smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)N(C)C)c1 ZINC000780358279 939109287 /nfs/dbraw/zinc/10/92/87/939109287.db2.gz GCIYKQBANSFZBI-INIZCTEOSA-N -1 1 363.458 2.385 20 0 FEADMM COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C(=O)[O-])C3CC3)CCN2C2CC2)c1 ZINC000663044594 939851032 /nfs/dbraw/zinc/85/10/32/939851032.db2.gz BQQACNBCNASYDL-OKZBNKHCSA-N -1 1 358.438 2.200 20 0 FEADMM O=C(NCC1(O)CCCC1)c1ccc(I)c([O-])c1 ZINC000230894585 548761328 /nfs/dbraw/zinc/76/13/28/548761328.db2.gz DNIXAQLRFNJDKK-UHFFFAOYSA-N -1 1 361.179 2.032 20 0 FEADMM O=C(NCc1cccnc1)c1ccc(I)c([O-])c1 ZINC000230885370 548761663 /nfs/dbraw/zinc/76/16/63/548761663.db2.gz GJKUCYUFXWLEHC-UHFFFAOYSA-N -1 1 354.147 2.322 20 0 FEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H]1CCOC1 ZINC000230897130 548761782 /nfs/dbraw/zinc/76/17/82/548761782.db2.gz YQLUTPLDWQZLRB-PSASIEDQSA-N -1 1 361.179 2.152 20 0 FEADMM O=C(Cc1c(F)ccc(Br)c1F)[N-]OC[C@@H]1CCOC1 ZINC000800336737 674042584 /nfs/dbraw/zinc/04/25/84/674042584.db2.gz BPBQPNWRHSRZAV-MRVPVSSYSA-N -1 1 350.159 2.354 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000005135082 539403318 /nfs/dbraw/zinc/40/33/18/539403318.db2.gz MRBPKWCJHTVBNH-UHFFFAOYSA-N -1 1 366.351 2.416 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000007729286 539464479 /nfs/dbraw/zinc/46/44/79/539464479.db2.gz BCEOKZQWZWZLLX-NSHDSACASA-N -1 1 360.391 2.409 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000011443703 539528710 /nfs/dbraw/zinc/52/87/10/539528710.db2.gz OKNGYXBQYGGIPF-WCQYABFASA-N -1 1 366.487 2.219 20 0 FEADMM COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000016641113 539635445 /nfs/dbraw/zinc/63/54/45/539635445.db2.gz GDEJLVRLNIHKSZ-GFCCVEGCSA-N -1 1 366.414 2.391 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1csc(=NC2CC2)[n-]1 ZINC000524853087 539664625 /nfs/dbraw/zinc/66/46/25/539664625.db2.gz MGOIZILJYWCEEW-OAHLLOKOSA-N -1 1 370.478 2.337 20 0 FEADMM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000022511929 539695909 /nfs/dbraw/zinc/69/59/09/539695909.db2.gz XOIFFJBLRZPAHL-UHFFFAOYSA-N -1 1 374.824 2.448 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000028195749 539827692 /nfs/dbraw/zinc/82/76/92/539827692.db2.gz JMENJSQHPJKGSZ-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028974293 539840471 /nfs/dbraw/zinc/84/04/71/539840471.db2.gz MOHGZRDHKGIWQK-UHFFFAOYSA-N -1 1 359.329 2.175 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(-c4cc[nH]n4)c3)cc2oc1=O ZINC000031534629 539909878 /nfs/dbraw/zinc/90/98/78/539909878.db2.gz VHXVNXYKUDPGFI-UHFFFAOYSA-N -1 1 370.390 2.322 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)c1 ZINC000031721010 539917239 /nfs/dbraw/zinc/91/72/39/539917239.db2.gz FAFUFRDVHNPLQD-UHFFFAOYSA-N -1 1 352.799 2.442 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000550144838 674083581 /nfs/dbraw/zinc/08/35/81/674083581.db2.gz YQJIOQIRVNUSMU-UHFFFAOYSA-N -1 1 357.317 2.411 20 0 FEADMM Cn1nnc2c1nccc2C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000800889480 674085083 /nfs/dbraw/zinc/08/50/83/674085083.db2.gz NIZFRAAXHDSVCW-UHFFFAOYSA-N -1 1 355.358 2.273 20 0 FEADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1F ZINC000044259995 540122061 /nfs/dbraw/zinc/12/20/61/540122061.db2.gz SOGWZXCFROXRDW-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)o1 ZINC000048136020 540346510 /nfs/dbraw/zinc/34/65/10/540346510.db2.gz YQFFNTKLRHBTMA-CQSZACIVSA-N -1 1 365.455 2.054 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000054294788 540581740 /nfs/dbraw/zinc/58/17/40/540581740.db2.gz AQZMMKGRLUTNIC-UHFFFAOYSA-N -1 1 363.391 2.326 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cn3cncn3)c2)c1 ZINC000055290057 540643935 /nfs/dbraw/zinc/64/39/35/540643935.db2.gz QJNMMELYVKCLEQ-UHFFFAOYSA-N -1 1 351.366 2.243 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000055595130 540662328 /nfs/dbraw/zinc/66/23/28/540662328.db2.gz GXRLQKKGUGWSPA-UHFFFAOYSA-N -1 1 362.451 2.312 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000055595803 540662372 /nfs/dbraw/zinc/66/23/72/540662372.db2.gz XPEKQECTSBVSGL-UHFFFAOYSA-N -1 1 369.468 2.055 20 0 FEADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000055652212 540667776 /nfs/dbraw/zinc/66/77/76/540667776.db2.gz WFRKXLODSFVYMR-UHFFFAOYSA-N -1 1 351.428 2.020 20 0 FEADMM CN(C)C(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000057102259 540768685 /nfs/dbraw/zinc/76/86/85/540768685.db2.gz QPUZZCZHSMSXJD-HNNXBMFYSA-N -1 1 368.405 2.463 20 0 FEADMM CN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000057229234 540780727 /nfs/dbraw/zinc/78/07/27/540780727.db2.gz KXSAVDYXTQLNBR-UHFFFAOYSA-N -1 1 351.428 2.024 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 ZINC000057323821 540789375 /nfs/dbraw/zinc/78/93/75/540789375.db2.gz VCTWYAKDFUIHDO-OAHLLOKOSA-N -1 1 362.451 2.425 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)ccc1Br ZINC000062936595 541156193 /nfs/dbraw/zinc/15/61/93/541156193.db2.gz CEFBWGVLJCUOFS-HNNXBMFYSA-N -1 1 355.232 2.493 20 0 FEADMM CCCCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000065617223 541248411 /nfs/dbraw/zinc/24/84/11/541248411.db2.gz QIZYYQBIQKDZBK-CYBMUJFWSA-N -1 1 370.471 2.320 20 0 FEADMM CCn1c(CNC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)n[n-]c1=S ZINC000066636702 541351685 /nfs/dbraw/zinc/35/16/85/541351685.db2.gz JTRRMXOMIUJOLM-HNNXBMFYSA-N -1 1 373.482 2.113 20 0 FEADMM CC(C)n1c(CNC(=O)c2cncc(-c3cnn(C)c3)c2)n[n-]c1=S ZINC000066640717 541352230 /nfs/dbraw/zinc/35/22/30/541352230.db2.gz WEQKHUPCQCQBAN-UHFFFAOYSA-N -1 1 357.443 2.247 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066650012 541354967 /nfs/dbraw/zinc/35/49/67/541354967.db2.gz YPAJPYJWQABVFN-CYBMUJFWSA-N -1 1 365.459 2.185 20 0 FEADMM Cn1c(CCNC(=O)c2ccc(N3CCCCCC3)nc2)n[n-]c1=S ZINC000067050803 541410621 /nfs/dbraw/zinc/41/06/21/541410621.db2.gz IKUHTFDRGWOWGX-UHFFFAOYSA-N -1 1 360.487 2.226 20 0 FEADMM Cn1c(CNC(=O)CCOc2cccc(Br)c2)n[n-]c1=S ZINC000067050120 541410693 /nfs/dbraw/zinc/41/06/93/541410693.db2.gz QMFDTRAVGDLRRT-UHFFFAOYSA-N -1 1 371.260 2.325 20 0 FEADMM COc1ccc2c(c1)OC[C@@H](C(=O)NCCc1n[n-]c(=S)n1C1CC1)C2 ZINC000067078438 541414550 /nfs/dbraw/zinc/41/45/50/541414550.db2.gz IFWKOTWTYHRIPS-LBPRGKRZSA-N -1 1 374.466 2.194 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000067078550 541414748 /nfs/dbraw/zinc/41/47/48/541414748.db2.gz MNKULUJAOGDDGO-UHFFFAOYSA-N -1 1 354.439 2.434 20 0 FEADMM Cc1n[nH]c(CCNC(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)n1 ZINC000542773923 541467635 /nfs/dbraw/zinc/46/76/35/541467635.db2.gz HKDFLIRSWIWFMP-UHFFFAOYSA-N -1 1 361.406 2.059 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCCCc2ccccc2)o1 ZINC000067939473 541531079 /nfs/dbraw/zinc/53/10/79/541531079.db2.gz UQZUXFDQCKJZRY-UHFFFAOYSA-N -1 1 350.440 2.331 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3nccc3C)c2)cc1 ZINC000070783430 541743395 /nfs/dbraw/zinc/74/33/95/541743395.db2.gz JOHFYYCQNJPEAR-UHFFFAOYSA-N -1 1 370.434 2.341 20 0 FEADMM CCSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000071091909 541763413 /nfs/dbraw/zinc/76/34/13/541763413.db2.gz KJBNQBAFGJTRBF-UHFFFAOYSA-N -1 1 362.432 2.483 20 0 FEADMM COC(C)(C)C(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801373257 674124655 /nfs/dbraw/zinc/12/46/55/674124655.db2.gz UEWSIVBPXDYEBX-UHFFFAOYSA-N -1 1 352.774 2.382 20 0 FEADMM C[C@@H](COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])CS(C)(=O)=O ZINC000801373081 674124673 /nfs/dbraw/zinc/12/46/73/674124673.db2.gz AXVPJVZKFUKMOO-JTQLQIEISA-N -1 1 372.830 2.069 20 0 FEADMM O=C(OCc1ncnn1CCF)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374542 674124712 /nfs/dbraw/zinc/12/47/12/674124712.db2.gz MAJIDAUYZIYKNQ-UHFFFAOYSA-N -1 1 365.752 2.149 20 0 FEADMM O=C(OCCCN1CCOC1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361073 674124382 /nfs/dbraw/zinc/12/43/82/674124382.db2.gz DDCUKFNZIRFTTN-UHFFFAOYSA-N -1 1 365.773 2.230 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)OCCOCC(F)(F)F)n2)cc1 ZINC000801365418 674124400 /nfs/dbraw/zinc/12/44/00/674124400.db2.gz FWGLHZQJXDJCDQ-UHFFFAOYSA-N -1 1 360.288 2.322 20 0 FEADMM CCc1nnc(COC(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])s1 ZINC000801368840 674124426 /nfs/dbraw/zinc/12/44/26/674124426.db2.gz PPUWSTNNTIYJII-UHFFFAOYSA-N -1 1 360.395 2.357 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCCC2OCCCO2)n1 ZINC000801426803 674126834 /nfs/dbraw/zinc/12/68/34/674126834.db2.gz GFLUFCSCSKWUMU-UHFFFAOYSA-N -1 1 350.346 2.335 20 0 FEADMM CC[C@@H](C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccccc1OC ZINC000072994240 541906205 /nfs/dbraw/zinc/90/62/05/541906205.db2.gz VJSDQVAOPSKTIN-ABAIWWIYSA-N -1 1 353.444 2.442 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000073133434 541922290 /nfs/dbraw/zinc/92/22/90/541922290.db2.gz HPCHFMJZYUNYQJ-CQSZACIVSA-N -1 1 358.364 2.275 20 0 FEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000226354134 206121896 /nfs/dbraw/zinc/12/18/96/206121896.db2.gz PYMAXOPGJCRWTE-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000075533686 542185315 /nfs/dbraw/zinc/18/53/15/542185315.db2.gz XZUOHFPWMLVIMF-CQSZACIVSA-N -1 1 368.441 2.114 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000078469841 542463010 /nfs/dbraw/zinc/46/30/10/542463010.db2.gz GKRIONYYDNQDCM-UHFFFAOYSA-N -1 1 354.815 2.380 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1 ZINC000055580452 221072656 /nfs/dbraw/zinc/07/26/56/221072656.db2.gz ZWTWFUYKJZGJFZ-UHFFFAOYSA-N -1 1 374.871 2.238 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000079970097 542555089 /nfs/dbraw/zinc/55/50/89/542555089.db2.gz QLDDXESULXWEOG-RUZDIDTESA-N -1 1 361.467 2.043 20 0 FEADMM O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000080036110 542559370 /nfs/dbraw/zinc/55/93/70/542559370.db2.gz AZYAFYJAYDGBDB-KRWDZBQOSA-N -1 1 356.397 2.495 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1cc2ccccc2o1 ZINC000084936588 542722930 /nfs/dbraw/zinc/72/29/30/542722930.db2.gz QMYMCYABSKPZIA-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM Cc1nc(Br)ccc1NC(=O)NCc1n[n-]c(=S)n1C ZINC000091189699 542796855 /nfs/dbraw/zinc/79/68/55/542796855.db2.gz MYOGMJFOKJCMQE-UHFFFAOYSA-N -1 1 357.237 2.265 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000091699450 542820660 /nfs/dbraw/zinc/82/06/60/542820660.db2.gz JKFSFQCLDQUWHW-ZWNOBZJWSA-N -1 1 367.243 2.286 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccc(F)cc32)co1 ZINC000093061247 542905687 /nfs/dbraw/zinc/90/56/87/542905687.db2.gz NIGHMYXMPVRWQY-AWEZNQCLSA-N -1 1 352.387 2.134 20 0 FEADMM C[C@@H](CO)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000093244851 542920520 /nfs/dbraw/zinc/92/05/20/542920520.db2.gz LTUZTPSYFZIKIR-JTQLQIEISA-N -1 1 364.348 2.376 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000101572803 543034453 /nfs/dbraw/zinc/03/44/53/543034453.db2.gz KSCMAQBFXHVWCP-UHFFFAOYSA-N -1 1 366.414 2.144 20 0 FEADMM Cc1noc(CN2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)n1 ZINC000101670376 543040458 /nfs/dbraw/zinc/04/04/58/543040458.db2.gz GFJZWYOFRYZKPG-UHFFFAOYSA-N -1 1 352.394 2.195 20 0 FEADMM CC[N@H+](CCNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CC1 ZINC000101958785 543051725 /nfs/dbraw/zinc/05/17/25/543051725.db2.gz TXGDGWYERYAIKS-UHFFFAOYSA-N -1 1 360.483 2.050 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1nc2ccccc2s1 ZINC000103939666 543118675 /nfs/dbraw/zinc/11/86/75/543118675.db2.gz JRQMUUCVSDAEGS-UHFFFAOYSA-N -1 1 367.434 2.108 20 0 FEADMM O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000106507766 543232322 /nfs/dbraw/zinc/23/23/22/543232322.db2.gz AQTMCQDSRHXGJI-LBPRGKRZSA-N -1 1 370.359 2.210 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000156337593 545619370 /nfs/dbraw/zinc/61/93/70/545619370.db2.gz WRMNZEQYCLLQHN-UHFFFAOYSA-N -1 1 363.317 2.095 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000114155603 543505174 /nfs/dbraw/zinc/50/51/74/543505174.db2.gz AWYWGDDRSDHMFR-UHFFFAOYSA-N -1 1 368.422 2.021 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000115313363 543559426 /nfs/dbraw/zinc/55/94/26/543559426.db2.gz WSLSUEQGQJDYBG-HSZRJFAPSA-N -1 1 366.464 2.324 20 0 FEADMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000551990583 674179423 /nfs/dbraw/zinc/17/94/23/674179423.db2.gz WEMLKYSTFYBVER-MLGOLLRUSA-N -1 1 350.440 2.404 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1F ZINC000116159147 543601787 /nfs/dbraw/zinc/60/17/87/543601787.db2.gz QOBPAEYISUJDFX-UHFFFAOYSA-N -1 1 364.398 2.311 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000117600434 543635779 /nfs/dbraw/zinc/63/57/79/543635779.db2.gz OVWYNFUBFKZUMM-GOSISDBHSA-N -1 1 374.444 2.357 20 0 FEADMM Cc1cc(C(=O)N2C[C@H](C)Cc3ccccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000120299111 543678284 /nfs/dbraw/zinc/67/82/84/543678284.db2.gz RRDWRVRRRPTXJR-SNVBAGLBSA-N -1 1 350.378 2.171 20 0 FEADMM Cc1cc(C(=O)N2C[C@H](C)Cc3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000120299111 543678285 /nfs/dbraw/zinc/67/82/85/543678285.db2.gz RRDWRVRRRPTXJR-SNVBAGLBSA-N -1 1 350.378 2.171 20 0 FEADMM C[C@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123254956 543751105 /nfs/dbraw/zinc/75/11/05/543751105.db2.gz KRSWCFMIICPSHE-RDTXWAMCSA-N -1 1 370.449 2.285 20 0 FEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000123463832 543762740 /nfs/dbraw/zinc/76/27/40/543762740.db2.gz HXWOWPGSKBNCBK-SECBINFHSA-N -1 1 363.869 2.208 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1nc(C2CC2)no1 ZINC000123934167 543791919 /nfs/dbraw/zinc/79/19/19/543791919.db2.gz FJSKSBGUPOKKLI-SNVBAGLBSA-N -1 1 359.839 2.010 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc(F)c(F)cc1Br)c1nn[n-]n1 ZINC000124414546 543820248 /nfs/dbraw/zinc/82/02/48/543820248.db2.gz VZNLDRWUGUIDPJ-ZCFIWIBFSA-N -1 1 360.162 2.116 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(Br)c(Cl)c1)c1nn[n-]n1 ZINC000124243580 543809223 /nfs/dbraw/zinc/80/92/23/543809223.db2.gz QWPIKNLAQVQTJO-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@H]1CO ZINC000125118203 543861194 /nfs/dbraw/zinc/86/11/94/543861194.db2.gz DQWIKIPRHGNCFP-INIZCTEOSA-N -1 1 360.435 2.084 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cnc1Cl ZINC000126896082 543962534 /nfs/dbraw/zinc/96/25/34/543962534.db2.gz ASFDRITWYQEZOV-UHFFFAOYSA-N -1 1 356.835 2.461 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cc(C)c(OC)c(C)c2)co1 ZINC000127326925 543985933 /nfs/dbraw/zinc/98/59/33/543985933.db2.gz BWGYNQDTYSUPJD-UHFFFAOYSA-N -1 1 366.439 2.085 20 0 FEADMM C[C@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127408464 543991456 /nfs/dbraw/zinc/99/14/56/543991456.db2.gz PRPLUQRXXKLULM-GUYCJALGSA-N -1 1 356.422 2.037 20 0 FEADMM CCCC[C@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000128789568 544073348 /nfs/dbraw/zinc/07/33/48/544073348.db2.gz INVBHXLKEVWMPO-GFCCVEGCSA-N -1 1 360.476 2.291 20 0 FEADMM O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1c([O-])cccc1F ZINC000128469393 544054938 /nfs/dbraw/zinc/05/49/38/544054938.db2.gz KHZVEMGILDNANN-MRXNPFEDSA-N -1 1 356.397 2.495 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccc(F)cc1F ZINC000129204316 544096776 /nfs/dbraw/zinc/09/67/76/544096776.db2.gz AONHPHYNDNPLBB-GFCCVEGCSA-N -1 1 358.366 2.347 20 0 FEADMM O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129541729 544117101 /nfs/dbraw/zinc/11/71/01/544117101.db2.gz BDJSLPYDHXSJIQ-CQSZACIVSA-N -1 1 365.397 2.147 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1Cl ZINC000131377836 544187875 /nfs/dbraw/zinc/18/78/75/544187875.db2.gz AFCCQIALTXATIG-MRVPVSSYSA-N -1 1 360.760 2.394 20 0 FEADMM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cccc(O)c3F)cc2o1 ZINC000131508224 544192826 /nfs/dbraw/zinc/19/28/26/544192826.db2.gz PIYOJYFOKRSWOT-UHFFFAOYSA-N -1 1 358.734 2.420 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCO)C3CC3)c2)cc1 ZINC000132463397 544231932 /nfs/dbraw/zinc/23/19/32/544231932.db2.gz LAYMOZYYTNBDFS-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2c(C)[n-]c(=O)nc2SC)C12CCC2 ZINC000132528252 544234459 /nfs/dbraw/zinc/23/44/59/544234459.db2.gz HWWBGPOQSOZGMB-NEPJUHHUSA-N -1 1 351.472 2.220 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)o1 ZINC000134374807 544305660 /nfs/dbraw/zinc/30/56/60/544305660.db2.gz YYNFBVSHFZMLEI-UHFFFAOYSA-N -1 1 362.451 2.331 20 0 FEADMM CCC[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134274544 544300925 /nfs/dbraw/zinc/30/09/25/544300925.db2.gz BSWGJWILGCAPPW-YJBOKZPZSA-N -1 1 370.449 2.427 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1Cl ZINC000135794393 544361505 /nfs/dbraw/zinc/36/15/05/544361505.db2.gz HSJABEMVONJVLU-UHFFFAOYSA-N -1 1 365.802 2.125 20 0 FEADMM CCC[C@@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1C)c1nn[n-]n1 ZINC000136641800 544375727 /nfs/dbraw/zinc/37/57/27/544375727.db2.gz CSCIHNGNYAWNLU-GFCCVEGCSA-N -1 1 360.809 2.013 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)c1nn[n-]n1 ZINC000136675797 544376863 /nfs/dbraw/zinc/37/68/63/544376863.db2.gz ULOVMAGZBSOVMD-HNNXBMFYSA-N -1 1 358.446 2.085 20 0 FEADMM CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(Br)cc2[O-])C1 ZINC000152020942 544607203 /nfs/dbraw/zinc/60/72/03/544607203.db2.gz LJSSZDYFIKVWDI-LLVKDONJSA-N -1 1 355.232 2.095 20 0 FEADMM COCCCCS(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000152051854 544609908 /nfs/dbraw/zinc/60/99/08/544609908.db2.gz RCAORBVXGQJVPZ-UHFFFAOYSA-N -1 1 362.249 2.229 20 0 FEADMM COCCCCS(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000152051854 544609913 /nfs/dbraw/zinc/60/99/13/544609913.db2.gz RCAORBVXGQJVPZ-UHFFFAOYSA-N -1 1 362.249 2.229 20 0 FEADMM CC[C@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000152109546 544614325 /nfs/dbraw/zinc/61/43/25/544614325.db2.gz OOAZTMINJIQBEK-OAHLLOKOSA-N -1 1 362.451 2.378 20 0 FEADMM C[C@@]1(O)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000152522000 544665322 /nfs/dbraw/zinc/66/53/22/544665322.db2.gz AGENQJPCBVNLJM-LJQANCHMSA-N -1 1 374.462 2.474 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)[C@H]2COc3ccccc32)c(=O)[n-]1 ZINC000152588201 544670203 /nfs/dbraw/zinc/67/02/03/544670203.db2.gz ZUCGKGPSBVTFJX-SWLSCSKDSA-N -1 1 373.478 2.414 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C2CCCC2)c(Br)o1 ZINC000153659318 544804346 /nfs/dbraw/zinc/80/43/46/544804346.db2.gz NBJYRTIYONIWQJ-UHFFFAOYSA-N -1 1 352.206 2.050 20 0 FEADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ncon1 ZINC000154476861 544911154 /nfs/dbraw/zinc/91/11/54/544911154.db2.gz KJEAAMMGGDDGEG-GFCCVEGCSA-N -1 1 372.406 2.361 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1cncc([O-])c1 ZINC000552521385 674213251 /nfs/dbraw/zinc/21/32/51/674213251.db2.gz CVOLWQLSSNVBOS-GFCCVEGCSA-N -1 1 365.227 2.131 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)CCOC(C)C)c2ccc(Cl)cc2)no1 ZINC000179987399 327667240 /nfs/dbraw/zinc/66/72/40/327667240.db2.gz ZDCBRISIYSETKP-CQSZACIVSA-N -1 1 373.862 2.465 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000180197306 327675917 /nfs/dbraw/zinc/67/59/17/327675917.db2.gz LNSZMUGSYRVFKS-UHFFFAOYSA-N -1 1 360.844 2.329 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CN2CCNC2=O)ccc1F ZINC000180533169 327689686 /nfs/dbraw/zinc/68/96/86/327689686.db2.gz CWTAMLGODODKQW-UHFFFAOYSA-N -1 1 363.414 2.460 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1CN1CCNC1=O ZINC000180533861 327689798 /nfs/dbraw/zinc/68/97/98/327689798.db2.gz MAZBDFIXXMPBBQ-UHFFFAOYSA-N -1 1 363.414 2.460 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(C)c1 ZINC000184253369 327858246 /nfs/dbraw/zinc/85/82/46/327858246.db2.gz AZOLISBGKLOCPB-OAHLLOKOSA-N -1 1 355.362 2.466 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(C(F)(F)F)ccc1Cl ZINC000184300266 327861018 /nfs/dbraw/zinc/86/10/18/327861018.db2.gz ZGRWMMBKMOBIQR-UHFFFAOYSA-N -1 1 353.696 2.265 20 0 FEADMM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1c([O-])cccc1Cl ZINC000804384815 674284093 /nfs/dbraw/zinc/28/40/93/674284093.db2.gz BOAPSKADTKPAKS-LBPRGKRZSA-N -1 1 351.834 2.456 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184966554 327892628 /nfs/dbraw/zinc/89/26/28/327892628.db2.gz GESOBFHSMSYJRW-CQSZACIVSA-N -1 1 354.472 2.092 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)s1 ZINC000553867664 674290657 /nfs/dbraw/zinc/29/06/57/674290657.db2.gz UCQVTVMLGSZYOB-MRVPVSSYSA-N -1 1 359.395 2.357 20 0 FEADMM CCOc1cc(C(=O)NCc2nnc3n2CCCC3)cc(Cl)c1[O-] ZINC000186636118 327972166 /nfs/dbraw/zinc/97/21/66/327972166.db2.gz XTOJFMFCZYNCFB-UHFFFAOYSA-N -1 1 350.806 2.302 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1C ZINC000188048559 328062820 /nfs/dbraw/zinc/06/28/20/328062820.db2.gz SGWFOYGEZZSJIZ-MWLCHTKSSA-N -1 1 356.216 2.426 20 0 FEADMM CCCN1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1=O ZINC000188171011 328071025 /nfs/dbraw/zinc/07/10/25/328071025.db2.gz NQBUOBBPMRFDDA-UHFFFAOYSA-N -1 1 355.232 2.239 20 0 FEADMM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1cnc(-c2ccccc2)nc1 ZINC000188465914 328088701 /nfs/dbraw/zinc/08/87/01/328088701.db2.gz BJZKUDCZRZVKTO-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM O=S(=O)([N-]c1ccc2nn[nH]c2c1)c1cnc(-c2ccccc2)nc1 ZINC000188465914 328088703 /nfs/dbraw/zinc/08/87/03/328088703.db2.gz BJZKUDCZRZVKTO-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM CCn1nccc1N1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1=O ZINC000189905586 328175169 /nfs/dbraw/zinc/17/51/69/328175169.db2.gz UIOBARASTSNELO-ZDUSSCGKSA-N -1 1 362.817 2.187 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1ccccc1F ZINC000193621013 328386000 /nfs/dbraw/zinc/38/60/00/328386000.db2.gz XEDSPRHNUDRYIV-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM CC(=O)NC1(C(=O)Nc2nc(Br)ccc2[O-])CCCCC1 ZINC000194571236 328430438 /nfs/dbraw/zinc/43/04/38/328430438.db2.gz VZOJFPGXHFCQGT-UHFFFAOYSA-N -1 1 356.220 2.327 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000013358617 324375395 /nfs/dbraw/zinc/37/53/95/324375395.db2.gz PJYSOHXDERWDSR-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM Cc1cc(CN2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)on1 ZINC000022252291 324398598 /nfs/dbraw/zinc/39/85/98/324398598.db2.gz CZEQNLARPWFRIE-UHFFFAOYSA-N -1 1 355.394 2.113 20 0 FEADMM COc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1[N-]S(C)(=O)=O ZINC000029817497 324452049 /nfs/dbraw/zinc/45/20/49/324452049.db2.gz UKQMGGWCLLQZOJ-UHFFFAOYSA-N -1 1 363.439 2.385 20 0 FEADMM O=C(NC[C@H]1CCCCO1)c1cc(I)ccc1[O-] ZINC000220672140 328482869 /nfs/dbraw/zinc/48/28/69/328482869.db2.gz MFMLHMXDBXDIPS-SNVBAGLBSA-N -1 1 361.179 2.296 20 0 FEADMM O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(I)c([O-])c1 ZINC000229600472 328485913 /nfs/dbraw/zinc/48/59/13/328485913.db2.gz LRGPLHCTPQVAHT-GHMZBOCLSA-N -1 1 361.179 2.030 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1sccc1Br ZINC000230311143 328486586 /nfs/dbraw/zinc/48/65/86/328486586.db2.gz WRTKNGGAQQLDPA-ZJUUUORDSA-N -1 1 352.275 2.356 20 0 FEADMM CC(C)[C@H](CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000230901285 328487564 /nfs/dbraw/zinc/48/75/64/328487564.db2.gz JHBMVXIBXFVKME-NSHDSACASA-N -1 1 363.195 2.134 20 0 FEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000055596661 324781579 /nfs/dbraw/zinc/78/15/79/324781579.db2.gz QBAZPDGFGYTGAL-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM NC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000055594479 324782104 /nfs/dbraw/zinc/78/21/04/324782104.db2.gz PEJATVXVBVOCCT-UHFFFAOYSA-N -1 1 356.350 2.020 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CO)cc1 ZINC000076557458 324951903 /nfs/dbraw/zinc/95/19/03/324951903.db2.gz NLQFHTKZZJLRKK-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)o1 ZINC000077164194 324980003 /nfs/dbraw/zinc/98/00/03/324980003.db2.gz AWJUIJCNLNWDBX-UHFFFAOYSA-N -1 1 354.815 2.260 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)o1 ZINC000081793322 325197765 /nfs/dbraw/zinc/19/77/65/325197765.db2.gz WSZGSYVQOVKQIS-CYBMUJFWSA-N -1 1 363.439 2.285 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CC)n1)c1ccccc1 ZINC000086170283 325261849 /nfs/dbraw/zinc/26/18/49/325261849.db2.gz STWMXOWDCRVFPK-OCCSQVGLSA-N -1 1 364.471 2.187 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cccc(OCC(F)F)n1 ZINC000089818400 325335512 /nfs/dbraw/zinc/33/55/12/325335512.db2.gz KYZJRMLYCMCPIB-UHFFFAOYSA-N -1 1 355.370 2.244 20 0 FEADMM Cc1[nH]nc2ncc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)cc12 ZINC000091159326 325376063 /nfs/dbraw/zinc/37/60/63/325376063.db2.gz FQSBUBONGIWVJY-UHFFFAOYSA-N -1 1 363.374 2.029 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCO)cc2)c1C ZINC000098074977 325465597 /nfs/dbraw/zinc/46/55/97/325465597.db2.gz KOKCQOXMMVVLBK-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM CS[C@H]1CCC[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000117317627 326057225 /nfs/dbraw/zinc/05/72/25/326057225.db2.gz HYSHDYABWVMYMF-GJZGRUSLSA-N -1 1 372.494 2.473 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000118374919 326089736 /nfs/dbraw/zinc/08/97/36/326089736.db2.gz AHSMKBDMVSHGNJ-QWHCGFSZSA-N -1 1 358.467 2.035 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCOc3c(F)cccc31)c2=O ZINC000119492725 326169015 /nfs/dbraw/zinc/16/90/15/326169015.db2.gz SHUUGAWTPFJRQD-CQSZACIVSA-N -1 1 356.357 2.457 20 0 FEADMM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000120445740 326258912 /nfs/dbraw/zinc/25/89/12/326258912.db2.gz FCLJMNVYTJUTOI-UHFFFAOYSA-N -1 1 359.300 2.496 20 0 FEADMM CC[C@@H]1CCc2nc(NC(=O)c3coc(S(=O)(=O)[N-]C)c3)sc2C1 ZINC000121157314 326317531 /nfs/dbraw/zinc/31/75/31/326317531.db2.gz OSMXKQSCMMDYAN-SECBINFHSA-N -1 1 369.468 2.411 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000121918735 326375977 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CCC(O)(CC)CCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000276534552 330161952 /nfs/dbraw/zinc/16/19/52/330161952.db2.gz ZDWGGQUSFRRRDY-UHFFFAOYSA-N -1 1 358.442 2.153 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000294186999 330191307 /nfs/dbraw/zinc/19/13/07/330191307.db2.gz NMQJDOZAPZNOEC-RNODOKPDSA-N -1 1 370.453 2.153 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000299685540 330198020 /nfs/dbraw/zinc/19/80/20/330198020.db2.gz YZLFVCGMCCAINE-LLVKDONJSA-N -1 1 374.509 2.177 20 0 FEADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000367247654 330235917 /nfs/dbraw/zinc/23/59/17/330235917.db2.gz AJSYMKHTHREJKX-GFCCVEGCSA-N -1 1 371.832 2.367 20 0 FEADMM O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cncc([O-])c1 ZINC000554141800 674305380 /nfs/dbraw/zinc/30/53/80/674305380.db2.gz KKZGGFJECCZWID-ZDUSSCGKSA-N -1 1 355.163 2.152 20 0 FEADMM CC[C@H](C)CS(=O)(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805126296 674320931 /nfs/dbraw/zinc/32/09/31/674320931.db2.gz OXODFKRRFGJFIJ-BJDJZHNGSA-N -1 1 358.426 2.140 20 0 FEADMM CCc1cccnc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000555117105 674348415 /nfs/dbraw/zinc/34/84/15/674348415.db2.gz LAHVDGVGDVPTPO-UHFFFAOYSA-N -1 1 350.425 2.234 20 0 FEADMM CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC000275835182 523604591 /nfs/dbraw/zinc/60/45/91/523604591.db2.gz XFLFVIJLZDUNJR-CQSZACIVSA-N -1 1 358.467 2.370 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477350159 561142801 /nfs/dbraw/zinc/14/28/01/561142801.db2.gz MPQGSBYGUIFGGZ-UHFFFAOYSA-N -1 1 355.785 2.001 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@]23CCCc2ccccc23)co1 ZINC000156673787 545646408 /nfs/dbraw/zinc/64/64/08/545646408.db2.gz VUWJLNDIJKTWTQ-DNVCBOLYSA-N -1 1 374.462 2.212 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000156957939 545682155 /nfs/dbraw/zinc/68/21/55/545682155.db2.gz SEHZDEKXVKKNKT-GOSISDBHSA-N -1 1 359.451 2.188 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000158242449 545839424 /nfs/dbraw/zinc/83/94/24/545839424.db2.gz OSJBYPCKKIFKLU-CQSZACIVSA-N -1 1 366.483 2.264 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCN(C(=O)C2CC2)CC1 ZINC000158298954 545846151 /nfs/dbraw/zinc/84/61/51/545846151.db2.gz ZCHGLDIZESFLBH-UHFFFAOYSA-N -1 1 356.344 2.496 20 0 FEADMM Cc1cnc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c([O-])c1 ZINC000478150818 561160975 /nfs/dbraw/zinc/16/09/75/561160975.db2.gz OMGKHJJUESAKKW-NSHDSACASA-N -1 1 356.300 2.458 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 ZINC000479468622 561190130 /nfs/dbraw/zinc/19/01/30/561190130.db2.gz OFSTUPNUILJDPW-UHFFFAOYSA-N -1 1 370.818 2.003 20 0 FEADMM Cc1cc(C(=O)N2CCc3c2cccc3Cl)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000176339211 546433879 /nfs/dbraw/zinc/43/38/79/546433879.db2.gz SQFVDHJLFSUSKH-UHFFFAOYSA-N -1 1 356.769 2.188 20 0 FEADMM Cc1cc(C(=O)N2CCc3c2cccc3Cl)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000176339211 546433881 /nfs/dbraw/zinc/43/38/81/546433881.db2.gz SQFVDHJLFSUSKH-UHFFFAOYSA-N -1 1 356.769 2.188 20 0 FEADMM CNC(=O)[C@@H](C)C[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000176365693 546436615 /nfs/dbraw/zinc/43/66/15/546436615.db2.gz ICHWYXVMWFQFEY-JTQLQIEISA-N -1 1 360.439 2.059 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccn(C)c2=O)sc1Br ZINC000176492061 546453752 /nfs/dbraw/zinc/45/37/52/546453752.db2.gz QPEOMYOSOAPMQM-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000176422092 546443577 /nfs/dbraw/zinc/44/35/77/546443577.db2.gz CJGGKITXOLHUAH-UHFFFAOYSA-N -1 1 374.466 2.219 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nn[n-]n1 ZINC000176760382 546485092 /nfs/dbraw/zinc/48/50/92/546485092.db2.gz YXOBCWSJTCCFBP-UKRRQHHQSA-N -1 1 371.445 2.101 20 0 FEADMM CCC[C@@H](NC(=O)Cn1c(CSC)nc2ccccc21)c1nn[n-]n1 ZINC000176774055 546486128 /nfs/dbraw/zinc/48/61/28/546486128.db2.gz XLLVAJMYDFIJKI-GFCCVEGCSA-N -1 1 359.459 2.070 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)Oc1ccccc1Br)c1nn[n-]n1 ZINC000176786589 546488173 /nfs/dbraw/zinc/48/81/73/546488173.db2.gz YAMOSVAUCKRWAM-ONGXEEELSA-N -1 1 368.235 2.387 20 0 FEADMM CC(C)Oc1cccc([C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000480655962 561213669 /nfs/dbraw/zinc/21/36/69/561213669.db2.gz YJEPNHNSUWHXJY-ZDUSSCGKSA-N -1 1 357.410 2.182 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000480775354 561216547 /nfs/dbraw/zinc/21/65/47/561216547.db2.gz BTZIPAPYACBHAR-UHFFFAOYSA-N -1 1 371.846 2.151 20 0 FEADMM Cc1ccc2c(c1)CCN(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)C2 ZINC000480974730 561221747 /nfs/dbraw/zinc/22/17/47/561221747.db2.gz BAUGQVSNGYUVFE-UHFFFAOYSA-N -1 1 350.422 2.488 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(-c4ncc[nH]4)cc3)cc12 ZINC000178189161 546755819 /nfs/dbraw/zinc/75/58/19/546755819.db2.gz CJGOEDLPYJDTJY-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1C ZINC000178229767 546760815 /nfs/dbraw/zinc/76/08/15/546760815.db2.gz JMLCKCQCQNFGMJ-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CNC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000481576311 561236472 /nfs/dbraw/zinc/23/64/72/561236472.db2.gz YCAPFKFVVSMGOD-CQSZACIVSA-N -1 1 354.378 2.121 20 0 FEADMM COc1ccc(F)c(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481606308 561237141 /nfs/dbraw/zinc/23/71/41/561237141.db2.gz ISUGLCPIWAWDOC-UHFFFAOYSA-N -1 1 354.359 2.299 20 0 FEADMM O=C([O-])[C@H]1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000178901890 546871115 /nfs/dbraw/zinc/87/11/15/546871115.db2.gz ABDNRUXSFSZXHH-SUMWQHHRSA-N -1 1 362.426 2.499 20 0 FEADMM O=S(=O)([N-]C[C@@]1(O)CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000178988641 546883403 /nfs/dbraw/zinc/88/34/03/546883403.db2.gz XOQCGTZUHXNGRK-NSHDSACASA-N -1 1 360.646 2.077 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1C(N)=O ZINC000481835163 561243484 /nfs/dbraw/zinc/24/34/84/561243484.db2.gz ADYNDNRJSUZTMJ-UHFFFAOYSA-N -1 1 371.418 2.452 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000481919385 561245381 /nfs/dbraw/zinc/24/53/81/561245381.db2.gz IHQPPRGBQWZYGB-UHFFFAOYSA-N -1 1 371.400 2.307 20 0 FEADMM C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179541644 546974134 /nfs/dbraw/zinc/97/41/34/546974134.db2.gz SNQVKRMWOMYFDP-NSHDSACASA-N -1 1 366.414 2.386 20 0 FEADMM COC(=O)CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](C)C1 ZINC000180881462 547201913 /nfs/dbraw/zinc/20/19/13/547201913.db2.gz GFNOCNLRSWCMGX-LLVKDONJSA-N -1 1 374.359 2.120 20 0 FEADMM Cc1noc2ncc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)cc12 ZINC000181054535 547239836 /nfs/dbraw/zinc/23/98/36/547239836.db2.gz AWIZHYJBTADADR-UHFFFAOYSA-N -1 1 364.358 2.294 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(Br)cc1C)c1nn[n-]n1 ZINC000182327139 547474282 /nfs/dbraw/zinc/47/42/82/547474282.db2.gz SRIRICYQQIQESR-LBPRGKRZSA-N -1 1 352.236 2.471 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc(C)c1C ZINC000484144857 561292314 /nfs/dbraw/zinc/29/23/14/561292314.db2.gz QZCVUOBIIMBQOC-UHFFFAOYSA-N -1 1 367.379 2.490 20 0 FEADMM COc1cc(NC(=O)N2CCSCC[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000484147841 561292367 /nfs/dbraw/zinc/29/23/67/561292367.db2.gz QNSNNOGVQQVNMC-NSHDSACASA-N -1 1 373.500 2.426 20 0 FEADMM O=S(=O)([N-]CCCn1ccnn1)c1c(Cl)cccc1C(F)(F)F ZINC000183164414 547613469 /nfs/dbraw/zinc/61/34/69/547613469.db2.gz DRASMVOOUIGZCY-UHFFFAOYSA-N -1 1 368.768 2.319 20 0 FEADMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000183197941 547618936 /nfs/dbraw/zinc/61/89/36/547618936.db2.gz MXQRPWRQSYGENW-JKNYTWMOSA-N -1 1 363.810 2.404 20 0 FEADMM CCCCn1nc(C)c(C=CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1Cl ZINC000183433339 547657807 /nfs/dbraw/zinc/65/78/07/547657807.db2.gz GOUMGUDBQPDLBW-AEZGRPFRSA-N -1 1 365.869 2.433 20 0 FEADMM C[C@@H](CN(C)C(=O)C1(c2ccc(Br)cc2)CC1)c1nn[n-]n1 ZINC000183434193 547658075 /nfs/dbraw/zinc/65/80/75/547658075.db2.gz XOBVFEHMGOQFIG-JTQLQIEISA-N -1 1 364.247 2.256 20 0 FEADMM C[C@H](CN(C)C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nn[n-]n1 ZINC000183450117 547661398 /nfs/dbraw/zinc/66/13/98/547661398.db2.gz KOYXSMZHTJOIHO-GFCCVEGCSA-N -1 1 351.414 2.139 20 0 FEADMM CCC1(CC)CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC[S@@]1=O ZINC000183846686 547728596 /nfs/dbraw/zinc/72/85/96/547728596.db2.gz WNEAYWPYYUDETN-VWLOTQADSA-N -1 1 367.515 2.139 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000184915712 547898771 /nfs/dbraw/zinc/89/87/71/547898771.db2.gz QTSWNLHZHIYZTD-RYUDHWBXSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc(C(=O)[O-])c1C ZINC000184914856 547899281 /nfs/dbraw/zinc/89/92/81/547899281.db2.gz WVWVPTLUIHFQOF-JSGCOSHPSA-N -1 1 368.499 2.400 20 0 FEADMM CCOC(=O)Cn1cnc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)n1 ZINC000485347597 561317287 /nfs/dbraw/zinc/31/72/87/561317287.db2.gz OJPMQJCYBMBCFZ-UHFFFAOYSA-N -1 1 368.180 2.464 20 0 FEADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000185619758 548010026 /nfs/dbraw/zinc/01/00/26/548010026.db2.gz AFDOYFPBKSJTHW-UONOGXRCSA-N -1 1 352.456 2.407 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000485655117 561324993 /nfs/dbraw/zinc/32/49/93/561324993.db2.gz NJMGLPAKAXEJQS-QWHCGFSZSA-N -1 1 360.391 2.147 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)on1 ZINC000485884840 561331097 /nfs/dbraw/zinc/33/10/97/561331097.db2.gz UCOFFLVTSLVRGQ-UHFFFAOYSA-N -1 1 359.407 2.194 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCCCc2ccc(F)cc2)o1 ZINC000186922534 548219071 /nfs/dbraw/zinc/21/90/71/548219071.db2.gz DQLVOOONNLOQAS-UHFFFAOYSA-N -1 1 368.430 2.470 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccccc1 ZINC000193980589 548416821 /nfs/dbraw/zinc/41/68/21/548416821.db2.gz SNIOPDKWMWGEGI-OAHLLOKOSA-N -1 1 351.428 2.047 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1C ZINC000486548051 561350395 /nfs/dbraw/zinc/35/03/95/561350395.db2.gz KUCIQLQJPWEDRV-UHFFFAOYSA-N -1 1 364.423 2.173 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1F ZINC000194615256 548505544 /nfs/dbraw/zinc/50/55/44/548505544.db2.gz HALZTVFJRLDLNQ-UHFFFAOYSA-N -1 1 370.377 2.476 20 0 FEADMM CC(C)CNC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195114929 548578931 /nfs/dbraw/zinc/57/89/31/548578931.db2.gz YNDDVEPPYLEMAD-JTQLQIEISA-N -1 1 370.862 2.060 20 0 FEADMM CC(C)CNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195114929 548578935 /nfs/dbraw/zinc/57/89/35/548578935.db2.gz YNDDVEPPYLEMAD-JTQLQIEISA-N -1 1 370.862 2.060 20 0 FEADMM CCCCc1noc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)n1 ZINC000195162697 548587454 /nfs/dbraw/zinc/58/74/54/548587454.db2.gz VLVCSYSOBNVEQN-UHFFFAOYSA-N -1 1 367.456 2.157 20 0 FEADMM CCCCc1noc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000195162697 548587458 /nfs/dbraw/zinc/58/74/58/548587458.db2.gz VLVCSYSOBNVEQN-UHFFFAOYSA-N -1 1 367.456 2.157 20 0 FEADMM CCc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195166577 548588862 /nfs/dbraw/zinc/58/88/62/548588862.db2.gz XRCYZQHRXDHDRI-LLVKDONJSA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195166577 548588867 /nfs/dbraw/zinc/58/88/67/548588867.db2.gz XRCYZQHRXDHDRI-LLVKDONJSA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195166577 548588871 /nfs/dbraw/zinc/58/88/71/548588871.db2.gz XRCYZQHRXDHDRI-LLVKDONJSA-N -1 1 364.471 2.466 20 0 FEADMM CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000487112610 561364100 /nfs/dbraw/zinc/36/41/00/561364100.db2.gz FDQCEFDSIRCIOC-NSHDSACASA-N -1 1 355.398 2.262 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(CC)CC ZINC000487123652 561364290 /nfs/dbraw/zinc/36/42/90/561364290.db2.gz WMLGNBVWRQPMDF-STQMWFEESA-N -1 1 359.444 2.328 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000195443172 548641298 /nfs/dbraw/zinc/64/12/98/548641298.db2.gz OVHAIUPAVLGCIW-ZANVPECISA-N -1 1 359.835 2.075 20 0 FEADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000195460767 548643354 /nfs/dbraw/zinc/64/33/54/548643354.db2.gz FJZQZXQNCLKMAE-ZDUSSCGKSA-N -1 1 352.394 2.409 20 0 FEADMM CC[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000487331764 561367738 /nfs/dbraw/zinc/36/77/38/561367738.db2.gz CGSHRLKXKMFKKN-SECBINFHSA-N -1 1 373.327 2.444 20 0 FEADMM CC[C@H]1CN(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000487331770 561367791 /nfs/dbraw/zinc/36/77/91/561367791.db2.gz CGSHRLKXKMFKKN-VIFPVBQESA-N -1 1 373.327 2.444 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(N)=O)c2)cc1F ZINC000487331155 561367827 /nfs/dbraw/zinc/36/78/27/561367827.db2.gz FOQGYWHQOXCUHJ-UHFFFAOYSA-N -1 1 369.374 2.134 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000236972859 548791386 /nfs/dbraw/zinc/79/13/86/548791386.db2.gz OEVXQPBHRHRSNJ-ZIAGYGMSSA-N -1 1 368.499 2.346 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000248122074 549407993 /nfs/dbraw/zinc/40/79/93/549407993.db2.gz FCDLJFVMMAHIIB-ZLGUVYLKSA-N -1 1 362.433 2.439 20 0 FEADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000248720758 549490524 /nfs/dbraw/zinc/49/05/24/549490524.db2.gz DZYZDMDFDXZZLF-NDBYEHHHSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000248720758 549490526 /nfs/dbraw/zinc/49/05/26/549490526.db2.gz DZYZDMDFDXZZLF-NDBYEHHHSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000248720758 549490528 /nfs/dbraw/zinc/49/05/28/549490528.db2.gz DZYZDMDFDXZZLF-NDBYEHHHSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@H]1CSCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000489496556 561412765 /nfs/dbraw/zinc/41/27/65/561412765.db2.gz FSVRGKDRWSIJPE-LLVKDONJSA-N -1 1 360.501 2.182 20 0 FEADMM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000248863360 549515580 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FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490198775 561428516 /nfs/dbraw/zinc/42/85/16/561428516.db2.gz DOMXNEKHANVJAK-CVEARBPZSA-N -1 1 353.422 2.360 20 0 FEADMM Cc1coc(-c2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c2)n1 ZINC000490397856 561432466 /nfs/dbraw/zinc/43/24/66/561432466.db2.gz LNTKFEBZXKQVSP-UHFFFAOYSA-N -1 1 352.350 2.119 20 0 FEADMM CC(C)(C)c1ccc(OCC(=O)Nc2nc(SCCO)n[nH]2)cc1 ZINC000490565401 561435222 /nfs/dbraw/zinc/43/52/22/561435222.db2.gz KPZRCVDBWYENJY-UHFFFAOYSA-N -1 1 350.444 2.204 20 0 FEADMM CC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(C)(C)c1ccccc1 ZINC000490569582 561435380 /nfs/dbraw/zinc/43/53/80/561435380.db2.gz XXVYGVKGOPSPRQ-MRXNPFEDSA-N -1 1 355.438 2.390 20 0 FEADMM COc1ccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1O ZINC000263717121 549925108 /nfs/dbraw/zinc/92/51/08/549925108.db2.gz WHGQAKZWCWFTSE-UHFFFAOYSA-N -1 1 370.409 2.015 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccccc2)no1 ZINC000268652839 550099279 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FEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000274953946 550567422 /nfs/dbraw/zinc/56/74/22/550567422.db2.gz IJZIATRHHUNJPM-KRWDZBQOSA-N -1 1 362.451 2.057 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1 ZINC000277126204 550635016 /nfs/dbraw/zinc/63/50/16/550635016.db2.gz TYXHDFRABGLTOT-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM COc1ccc(NC(=O)CCC(=O)OC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000277320066 550656043 /nfs/dbraw/zinc/65/60/43/550656043.db2.gz DBLYNLLHJCDLJK-UHFFFAOYSA-N -1 1 372.443 2.127 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccccc1Br)c1cncc([O-])c1 ZINC000277350991 550659740 /nfs/dbraw/zinc/65/97/40/550659740.db2.gz UBKUKTQZIOCJSV-NSHDSACASA-N -1 1 365.227 2.131 20 0 FEADMM CCS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000278168447 550756638 /nfs/dbraw/zinc/75/66/38/550756638.db2.gz NKWOSBDKBYXHQW-LLVKDONJSA-N -1 1 355.391 2.110 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]c2cn(C)nc2-c2cnn(C)c2)c(F)c1 ZINC000278438621 550786046 /nfs/dbraw/zinc/78/60/46/550786046.db2.gz VKNUKQPZIPZLMW-UHFFFAOYSA-N -1 1 363.418 2.210 20 0 FEADMM CCCOc1ccc(CNC(=O)CSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000278545147 550797835 /nfs/dbraw/zinc/79/78/35/550797835.db2.gz ANVWKOVOTKLTPR-UHFFFAOYSA-N -1 1 363.439 2.394 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C3CCC(NC(=O)C4CCCC4)CC3)ccnc1-2 ZINC000279272161 550872159 /nfs/dbraw/zinc/87/21/59/550872159.db2.gz VOWCUJYAKRFUAZ-ULJHMMPZSA-N -1 1 369.469 2.146 20 0 FEADMM C[C@H]1OCC[C@]12CN(C(=O)c1cc(Br)ccc1[O-])CCO2 ZINC000279352679 550880557 /nfs/dbraw/zinc/88/05/57/550880557.db2.gz GHAOBFKQLKTDOJ-BMIGLBTASA-N -1 1 356.216 2.175 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])ccn1 ZINC000279365070 550881965 /nfs/dbraw/zinc/88/19/65/550881965.db2.gz FBMZWTXXIAXIRA-UHFFFAOYSA-N -1 1 361.423 2.132 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@H](O)Cc3ccccc32)c(=O)[n-]1 ZINC000279456456 550892161 /nfs/dbraw/zinc/89/21/61/550892161.db2.gz DVVBKPWUYHCSDB-CYBMUJFWSA-N -1 1 359.451 2.095 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279732728 550922674 /nfs/dbraw/zinc/92/26/74/550922674.db2.gz JMAWIYFRWKCDOG-BLWXERESSA-N -1 1 363.458 2.197 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000279983643 550949575 /nfs/dbraw/zinc/94/95/75/550949575.db2.gz KCHGXBOEUHFYFT-JSGCOSHPSA-N -1 1 366.414 2.393 20 0 FEADMM Cc1ccc([C@@H](C)[C@@H](O)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000495494236 561489231 /nfs/dbraw/zinc/48/92/31/561489231.db2.gz YAYYWHLANVSZDP-CWTRNNRKSA-N -1 1 368.437 2.141 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)co1 ZINC000280155816 550966148 /nfs/dbraw/zinc/96/61/48/550966148.db2.gz BGTKYMQFRRGOEW-DOMZBBRYSA-N -1 1 366.414 2.393 20 0 FEADMM O=C(C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccc([O-])cc1 ZINC000280727335 551025866 /nfs/dbraw/zinc/02/58/66/551025866.db2.gz IEFIBADYNBDOHM-UHFFFAOYSA-N -1 1 356.397 2.449 20 0 FEADMM CS(=O)(=O)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1 ZINC000280882939 551042166 /nfs/dbraw/zinc/04/21/66/551042166.db2.gz XKYBGJKNKBIZOD-UHFFFAOYSA-N -1 1 351.346 2.108 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2cncs2)no1 ZINC000280981089 551051672 /nfs/dbraw/zinc/05/16/72/551051672.db2.gz WGPBFERQOANDQC-MRVPVSSYSA-N -1 1 356.454 2.218 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000281603185 551119184 /nfs/dbraw/zinc/11/91/84/551119184.db2.gz KDFPBUWYEPRNMF-VIFPVBQESA-N -1 1 351.346 2.326 20 0 FEADMM O=C(Nc1nc2c(s1)COCC2)c1[n-]cnc1C(=O)c1ccccc1 ZINC000497015110 561496920 /nfs/dbraw/zinc/49/69/20/561496920.db2.gz HRUJHGIFVHZQDP-UHFFFAOYSA-N -1 1 354.391 2.422 20 0 FEADMM CCc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(O)c1 ZINC000281730145 551136107 /nfs/dbraw/zinc/13/61/07/551136107.db2.gz NZNGMKAWVNJVAU-UHFFFAOYSA-N -1 1 358.360 2.485 20 0 FEADMM Cc1noc(-c2cccnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000281749299 551138864 /nfs/dbraw/zinc/13/88/64/551138864.db2.gz FMBQWDULVIRZSF-UHFFFAOYSA-N -1 1 369.347 2.335 20 0 FEADMM CCC1(O)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000282912046 551284574 /nfs/dbraw/zinc/28/45/74/551284574.db2.gz MVPOGNYVPJJXOO-UHFFFAOYSA-N -1 1 360.435 2.084 20 0 FEADMM O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282951303 551289065 /nfs/dbraw/zinc/28/90/65/551289065.db2.gz QOHCWPUMDBRFDT-LLVKDONJSA-N -1 1 354.332 2.066 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C3(c4cncc(Br)c4)CC3)ccnc1-2 ZINC000283034659 551301227 /nfs/dbraw/zinc/30/12/27/551301227.db2.gz GGMFDTYKGZSLJX-BKUYFWCQSA-N -1 1 372.226 2.170 20 0 FEADMM COc1ccc(C(C)(C)C(=O)/N=c2\ccnc3n(C)[n-]cc2-3)cc1OC ZINC000283279915 551340948 /nfs/dbraw/zinc/34/09/48/551340948.db2.gz UGMQDHPKDVJGJE-HYARGMPZSA-N -1 1 354.410 2.275 20 0 FEADMM C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000283700505 551412261 /nfs/dbraw/zinc/41/22/61/551412261.db2.gz IHVAKSOFBCULMP-GFCCVEGCSA-N -1 1 369.450 2.495 20 0 FEADMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000284313833 551522033 /nfs/dbraw/zinc/52/20/33/551522033.db2.gz NUKLMQCULBJOTC-JSGCOSHPSA-N -1 1 373.837 2.411 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)cn1 ZINC000284933785 551670716 /nfs/dbraw/zinc/67/07/16/551670716.db2.gz AWYSXMQLFJWNBW-UHFFFAOYSA-N -1 1 363.395 2.156 20 0 FEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000284976125 551681221 /nfs/dbraw/zinc/68/12/21/551681221.db2.gz DIZXDUFYHBGNIW-UHFFFAOYSA-N -1 1 365.411 2.273 20 0 FEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1csc2ccccc21 ZINC000285067274 551699474 /nfs/dbraw/zinc/69/94/74/551699474.db2.gz KIYKEBPZESEXBY-CYBMUJFWSA-N -1 1 368.480 2.119 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccccc2)c(Br)n1C ZINC000286479412 551890663 /nfs/dbraw/zinc/89/06/63/551890663.db2.gz KORMAZXZVHCVQC-UHFFFAOYSA-N -1 1 358.261 2.012 20 0 FEADMM CC[C@H](C)Oc1cc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)ccn1 ZINC000287023299 551953131 /nfs/dbraw/zinc/95/31/31/551953131.db2.gz CJJPEZNCEAMLPO-RDGOFQKVSA-N -1 1 354.414 2.236 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC3(c4cccc(F)c4)CCOCC3)ccnc1-2 ZINC000287242709 551980180 /nfs/dbraw/zinc/98/01/80/551980180.db2.gz REWFQBZXMBMBPK-KQWNVCNZSA-N -1 1 369.400 2.308 20 0 FEADMM C[C@@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)COCc1ccccc1 ZINC000287691416 552034836 /nfs/dbraw/zinc/03/48/36/552034836.db2.gz RETVHKKNMWOMMS-UIFJYSFJSA-N -1 1 353.426 2.316 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)COCc2ccccc2)c1 ZINC000499675492 561555866 /nfs/dbraw/zinc/55/58/66/561555866.db2.gz LBIFWAJYCSFTKO-UHFFFAOYSA-N -1 1 367.423 2.340 20 0 FEADMM COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000499524017 561552847 /nfs/dbraw/zinc/55/28/47/561552847.db2.gz RREZAWQJRBSXNZ-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CC(C)n1cnc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000288322580 552133399 /nfs/dbraw/zinc/13/33/99/552133399.db2.gz UTEADLYBDRNJCE-GVXVVHGQSA-N -1 1 360.380 2.382 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000288349006 552138348 /nfs/dbraw/zinc/13/83/48/552138348.db2.gz IQICEEZZRKJIJQ-QMMMGPOBSA-N -1 1 351.272 2.065 20 0 FEADMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000288522409 552168482 /nfs/dbraw/zinc/16/84/82/552168482.db2.gz XIVNNEBJMZUIAK-OAHLLOKOSA-N -1 1 366.439 2.420 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288626556 552187642 /nfs/dbraw/zinc/18/76/42/552187642.db2.gz NILOCFZVTQFRFI-LBPRGKRZSA-N -1 1 351.346 2.401 20 0 FEADMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2n[nH]c3c2cccc3OC)cn1 ZINC000288767521 552208720 /nfs/dbraw/zinc/20/87/20/552208720.db2.gz UDNXNLJGYPMOES-UHFFFAOYSA-N -1 1 371.397 2.319 20 0 FEADMM CC[C@@H](C)Oc1cccc(NC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000289164545 552275993 /nfs/dbraw/zinc/27/59/93/552275993.db2.gz JTUWORQGHYICTP-RQUDRXCASA-N -1 1 367.409 2.096 20 0 FEADMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(Cl)ccc1OC ZINC000500367252 561570913 /nfs/dbraw/zinc/57/09/13/561570913.db2.gz RFZHCLCMALTADE-CYBMUJFWSA-N -1 1 363.863 2.356 20 0 FEADMM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500572830 561577237 /nfs/dbraw/zinc/57/72/37/561577237.db2.gz IXRQIGJDIUFNHD-GFCCVEGCSA-N -1 1 368.484 2.105 20 0 FEADMM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500572830 561577238 /nfs/dbraw/zinc/57/72/38/561577238.db2.gz IXRQIGJDIUFNHD-GFCCVEGCSA-N -1 1 368.484 2.105 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000289919337 552399328 /nfs/dbraw/zinc/39/93/28/552399328.db2.gz SFLAWTIFDAGOBX-JTQLQIEISA-N -1 1 360.336 2.013 20 0 FEADMM COCC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccco1 ZINC000290009071 552413192 /nfs/dbraw/zinc/41/31/92/552413192.db2.gz XJANECQTTMINSR-GFCCVEGCSA-N -1 1 371.411 2.332 20 0 FEADMM CC(C)c1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nn1C ZINC000291090441 552585566 /nfs/dbraw/zinc/58/55/66/552585566.db2.gz KSDIGSIRKJFLHG-LLVKDONJSA-N -1 1 360.380 2.074 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000292173985 552701558 /nfs/dbraw/zinc/70/15/58/552701558.db2.gz ISDRUSPPFWJXCH-ZDUSSCGKSA-N -1 1 374.462 2.434 20 0 FEADMM O=C([N-]C[C@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1)C(F)(F)F ZINC000292652301 552746425 /nfs/dbraw/zinc/74/64/25/552746425.db2.gz GQQROROFLYUDHQ-SNVBAGLBSA-N -1 1 368.363 2.056 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2OC)cc1[N-]S(C)(=O)=O ZINC000292761459 552756149 /nfs/dbraw/zinc/75/61/49/552756149.db2.gz KJAMAFJGXQTKAX-TZMCWYRMSA-N -1 1 356.444 2.210 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)c1Cl ZINC000292768827 552756698 /nfs/dbraw/zinc/75/66/98/552756698.db2.gz PYYHDZVRXLKAKV-CYBMUJFWSA-N -1 1 369.874 2.256 20 0 FEADMM COC(=O)c1cnc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cn1 ZINC000501541784 561600094 /nfs/dbraw/zinc/60/00/94/561600094.db2.gz KLHOYZVEPMLLKQ-PLNGDYQASA-N -1 1 357.351 2.130 20 0 FEADMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293387173 552818379 /nfs/dbraw/zinc/81/83/79/552818379.db2.gz GQPWXJNOWOUQPB-BDAKNGLRSA-N -1 1 357.423 2.391 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c(C(F)(F)F)n1 ZINC000293464028 552826340 /nfs/dbraw/zinc/82/63/40/552826340.db2.gz LHRQCONBKLITIM-UHFFFAOYSA-N -1 1 355.288 2.196 20 0 FEADMM CCCC[C@@H](C)N(CCCC)C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000293690229 552847357 /nfs/dbraw/zinc/84/73/57/552847357.db2.gz XOMOZLGKTYBQAH-AWMROSOHSA-N -1 1 359.474 2.488 20 0 FEADMM CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cccc([O-])c2Cl)cn1 ZINC000293955914 552870703 /nfs/dbraw/zinc/87/07/03/552870703.db2.gz PMGJTVGEXOLQMP-AWEZNQCLSA-N -1 1 369.874 2.234 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000294019713 552875730 /nfs/dbraw/zinc/87/57/30/552875730.db2.gz YWQIEHNSOIMULM-LERXQTSPSA-N -1 1 368.355 2.415 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCCO)c1 ZINC000501742719 561604403 /nfs/dbraw/zinc/60/44/03/561604403.db2.gz PCPQQCOOZALKMY-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM COc1ccc(C=C(C)C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1F ZINC000294147785 552885542 /nfs/dbraw/zinc/88/55/42/552885542.db2.gz HTOOBZQCAFGQIX-YKWSONSWSA-N -1 1 360.389 2.055 20 0 FEADMM CO[C@H](CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000294661619 552924722 /nfs/dbraw/zinc/92/47/22/552924722.db2.gz SDLWGNHOLJCACP-MRXNPFEDSA-N -1 1 356.426 2.026 20 0 FEADMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1sccc1Br ZINC000294727726 552929891 /nfs/dbraw/zinc/92/98/91/552929891.db2.gz WBMVPOPMFXORLV-KCJUWKMLSA-N -1 1 354.291 2.340 20 0 FEADMM COCC1(CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000501958244 561608867 /nfs/dbraw/zinc/60/88/67/561608867.db2.gz QOXHAPQZAYIBSK-UHFFFAOYSA-N -1 1 372.487 2.293 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000502022185 561610246 /nfs/dbraw/zinc/61/02/46/561610246.db2.gz IRANRLYRZUGCJJ-UHFFFAOYSA-N -1 1 371.400 2.307 20 0 FEADMM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000295625339 553035388 /nfs/dbraw/zinc/03/53/88/553035388.db2.gz ZNQGIMKXNAETCZ-SSDOTTSWSA-N -1 1 371.684 2.325 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)co1 ZINC000295642411 553038159 /nfs/dbraw/zinc/03/81/59/553038159.db2.gz DENHULIAUPKPJB-ONGXEEELSA-N -1 1 368.377 2.429 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@@H](SC)C2)cc1[N-]S(C)(=O)=O ZINC000297033105 553244868 /nfs/dbraw/zinc/24/48/68/553244868.db2.gz UPWQOXGTHIWNCZ-LLVKDONJSA-N -1 1 359.473 2.036 20 0 FEADMM O=C(NC1CC1)c1[nH]nnc1NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000297700781 553327204 /nfs/dbraw/zinc/32/72/04/553327204.db2.gz JXFWEUDKKUPLTC-UHFFFAOYSA-N -1 1 370.413 2.056 20 0 FEADMM Fc1ccc(-c2nnc(SCc3nn[n-]n3)n2C[C@@H]2CCCO2)cc1 ZINC000298329634 553412897 /nfs/dbraw/zinc/41/28/97/553412897.db2.gz XNQMLUWGLRFBRS-LBPRGKRZSA-N -1 1 361.406 2.069 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C=C3CCN(C(=O)OC(C)(C)C)CC3)ccnc1-2 ZINC000298676429 553457725 /nfs/dbraw/zinc/45/77/25/553457725.db2.gz PSXGRTLZHISMJJ-JCMHNJIXSA-N -1 1 371.441 2.238 20 0 FEADMM COc1ccc(NC(=O)NCCCOC(C)C)cc1[N-]S(C)(=O)=O ZINC000298688012 553459025 /nfs/dbraw/zinc/45/90/25/553459025.db2.gz ZHIBTCGTPYWKHL-UHFFFAOYSA-N -1 1 359.448 2.003 20 0 FEADMM O=C(c1ccc2c(c1)CCCCC2=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298943773 553493201 /nfs/dbraw/zinc/49/32/01/553493201.db2.gz NLGSRPXZAQEYBN-AWEZNQCLSA-N -1 1 354.410 2.027 20 0 FEADMM O=C(NC1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000299056316 553509534 /nfs/dbraw/zinc/50/95/34/553509534.db2.gz WHSRCIVHQONDOM-UHFFFAOYSA-N -1 1 360.435 2.396 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCCOC)c1 ZINC000299389143 553556868 /nfs/dbraw/zinc/55/68/68/553556868.db2.gz RDWSZXHMVMDQCB-UHFFFAOYSA-N -1 1 358.460 2.178 20 0 FEADMM CN(CC(C)(C)O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301883863 553688315 /nfs/dbraw/zinc/68/83/15/553688315.db2.gz JFLKVXPIWBBMKY-UHFFFAOYSA-N -1 1 371.409 2.368 20 0 FEADMM O=C([O-])[C@H](CCc1ccccc1)NS(=O)(=O)c1c(F)cccc1F ZINC000325811590 553778404 /nfs/dbraw/zinc/77/84/04/553778404.db2.gz LJRPEHVRGXIKDK-AWEZNQCLSA-N -1 1 355.362 2.329 20 0 FEADMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000326944221 553784414 /nfs/dbraw/zinc/78/44/14/553784414.db2.gz HNFXQGSPVVKYOW-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000327877269 553792101 /nfs/dbraw/zinc/79/21/01/553792101.db2.gz SCYZUHAWEKAIEO-UHFFFAOYSA-N -1 1 363.435 2.392 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(C)(C)C)n[nH]3)ccc21 ZINC000328252436 553793534 /nfs/dbraw/zinc/79/35/34/553793534.db2.gz BRGYPNGQGBBVTR-UHFFFAOYSA-N -1 1 362.455 2.417 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)ccc1C ZINC000506569266 561702351 /nfs/dbraw/zinc/70/23/51/561702351.db2.gz BESYTFLBEAPMEX-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000329839261 554016660 /nfs/dbraw/zinc/01/66/60/554016660.db2.gz JBXLGGHBRZHQQZ-CHWSQXEVSA-N -1 1 364.471 2.255 20 0 FEADMM NC(=O)Cn1ccc([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000330075641 554060112 /nfs/dbraw/zinc/06/01/12/554060112.db2.gz MAPNGPLKKZFJIP-UHFFFAOYSA-N -1 1 355.464 2.121 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)ccc1F ZINC000507639781 561736185 /nfs/dbraw/zinc/73/61/85/561736185.db2.gz XTVJBKJJNZWAIV-UHFFFAOYSA-N -1 1 361.402 2.379 20 0 FEADMM CS[C@H](C)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000330473708 554125933 /nfs/dbraw/zinc/12/59/33/554125933.db2.gz QOFFNDYLOIVBMH-LLVKDONJSA-N -1 1 358.485 2.257 20 0 FEADMM Cc1csc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000330544016 554136147 /nfs/dbraw/zinc/13/61/47/554136147.db2.gz UEXGXPCIJMMNLT-UHFFFAOYSA-N -1 1 357.457 2.398 20 0 FEADMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccccc1Br ZINC000330566965 554139229 /nfs/dbraw/zinc/13/92/29/554139229.db2.gz AXXABBKFCDHUEX-JTQLQIEISA-N -1 1 374.178 2.449 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)o1 ZINC000330810318 554174269 /nfs/dbraw/zinc/17/42/69/554174269.db2.gz IZQHRHARDRFHMU-RISCZKNCSA-N -1 1 359.444 2.186 20 0 FEADMM Cc1cccc([C@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])c1C ZINC000508397569 561761130 /nfs/dbraw/zinc/76/11/30/561761130.db2.gz DCZJKLSNAYCAEN-MRXNPFEDSA-N -1 1 353.422 2.498 20 0 FEADMM COc1ccc(NC(=O)NCCOC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000530863498 562426685 /nfs/dbraw/zinc/42/66/85/562426685.db2.gz RKMXJPZJANGXRH-UHFFFAOYSA-N -1 1 359.448 2.003 20 0 FEADMM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000331190671 554228058 /nfs/dbraw/zinc/22/80/58/554228058.db2.gz VEFOWMPBAOAJTM-JSGCOSHPSA-N -1 1 356.444 2.210 20 0 FEADMM C[C@@H]1[C@H](C)N(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)CCN1C ZINC000331586304 554289490 /nfs/dbraw/zinc/28/94/90/554289490.db2.gz OBDVKYGFMUEMHX-NEPJUHHUSA-N -1 1 363.462 2.824 20 0 FEADMM Cn1ncc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1Cc1ccccc1 ZINC000509260634 561792678 /nfs/dbraw/zinc/79/26/78/561792678.db2.gz SYKSTBRKRMKVSF-UHFFFAOYSA-N -1 1 367.409 2.119 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)co1 ZINC000332048796 554369646 /nfs/dbraw/zinc/36/96/46/554369646.db2.gz YQZLUSYKZUMOQS-GHMZBOCLSA-N -1 1 366.414 2.475 20 0 FEADMM Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000509540856 561804584 /nfs/dbraw/zinc/80/45/84/561804584.db2.gz PSEUYNJOVPKKJX-UHFFFAOYSA-N -1 1 360.395 2.316 20 0 FEADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509554852 561805058 /nfs/dbraw/zinc/80/50/58/561805058.db2.gz HOYZWLNJABTSPL-QMTHXVAHSA-N -1 1 360.439 2.345 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000509919449 561818558 /nfs/dbraw/zinc/81/85/58/561818558.db2.gz LBAJFOADAOLSQN-HNNXBMFYSA-N -1 1 354.410 2.056 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000332411137 554441348 /nfs/dbraw/zinc/44/13/48/554441348.db2.gz KBTYYSFHSBHUPZ-GFCCVEGCSA-N -1 1 364.833 2.187 20 0 FEADMM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CNC(=O)c2ncccc2[O-])C2CC2)o1 ZINC000509989366 561821137 /nfs/dbraw/zinc/82/11/37/561821137.db2.gz NFYHRRWINVVGEJ-IUODEOHRSA-N -1 1 369.421 2.425 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@@H]1O ZINC000332509229 554458845 /nfs/dbraw/zinc/45/88/45/554458845.db2.gz CQOFCPORZZMBAU-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c([O-])c1 ZINC000332540000 554467216 /nfs/dbraw/zinc/46/72/16/554467216.db2.gz CKKFVGAMLXDIMU-JTQLQIEISA-N -1 1 354.332 2.303 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)n1 ZINC000332603263 554481468 /nfs/dbraw/zinc/48/14/68/554481468.db2.gz IFHBQBUXMZZLIY-PWSUYJOCSA-N -1 1 352.460 2.241 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3cncc(Cl)c3)[nH]c21 ZINC000510249491 561829579 /nfs/dbraw/zinc/82/95/79/561829579.db2.gz QPAWBOGNGNLWDZ-UHFFFAOYSA-N -1 1 366.786 2.199 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCC[C@H](C(=O)NC(C)C)C3)cnc2n1 ZINC000332636778 554488386 /nfs/dbraw/zinc/48/83/86/554488386.db2.gz UZVQQYCRXKFYOW-UONOGXRCSA-N -1 1 370.453 2.457 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1)c2=O ZINC000332636778 554488388 /nfs/dbraw/zinc/48/83/88/554488388.db2.gz UZVQQYCRXKFYOW-UONOGXRCSA-N -1 1 370.453 2.457 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCSC[C@@H]1C1CCC1 ZINC000333250883 554594595 /nfs/dbraw/zinc/59/45/95/554594595.db2.gz CMNUEHZEZOLGBU-OAHLLOKOSA-N -1 1 360.483 2.338 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)o1 ZINC000350364565 554784046 /nfs/dbraw/zinc/78/40/46/554784046.db2.gz BNSGGDLFEZXWNF-UHFFFAOYSA-N -1 1 374.300 2.319 20 0 FEADMM COc1cc(-c2noc([C@H]3CCNC(=O)C3)n2)cc(Br)c1[O-] ZINC000350776812 554812520 /nfs/dbraw/zinc/81/25/20/554812520.db2.gz HUKNENZMULLWFP-ZETCQYMHSA-N -1 1 368.187 2.207 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]cnc3c2)o1 ZINC000511321119 561865299 /nfs/dbraw/zinc/86/52/99/561865299.db2.gz JVDUGDXHEWXPPW-UHFFFAOYSA-N -1 1 362.411 2.485 20 0 FEADMM Cc1cccnc1CCc1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000351133474 554839376 /nfs/dbraw/zinc/83/93/76/554839376.db2.gz RZNZBBIATLOJRX-UHFFFAOYSA-N -1 1 364.452 2.098 20 0 FEADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2)n1C ZINC000361154006 554906694 /nfs/dbraw/zinc/90/66/94/554906694.db2.gz NFFSROVWRGMBPT-UHFFFAOYSA-N -1 1 372.406 2.320 20 0 FEADMM CCCc1nc([C@@H]([N-]S(=O)(=O)CCOCC)c2ccccc2)no1 ZINC000363237281 555060533 /nfs/dbraw/zinc/06/05/33/555060533.db2.gz IEBFIXSGYCMHCN-HNNXBMFYSA-N -1 1 353.444 2.067 20 0 FEADMM C[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000363352165 555084004 /nfs/dbraw/zinc/08/40/04/555084004.db2.gz MDLMMFOQCFTOJZ-DYESRHJHSA-N -1 1 368.433 2.133 20 0 FEADMM CCSc1ccc(Cl)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363366089 555087082 /nfs/dbraw/zinc/08/70/82/555087082.db2.gz XYYFKNRJVIDBMC-LLVKDONJSA-N -1 1 353.835 2.179 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc2)n[nH]1 ZINC000363484684 555117697 /nfs/dbraw/zinc/11/76/97/555117697.db2.gz CMYSHKCROUQURP-HNNXBMFYSA-N -1 1 364.377 2.459 20 0 FEADMM Cc1nc(CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3[O-])C2)no1 ZINC000363528256 555129177 /nfs/dbraw/zinc/12/91/77/555129177.db2.gz PNMXDTFJTWXXMJ-GFCCVEGCSA-N -1 1 350.806 2.131 20 0 FEADMM COc1ccccc1CC(C)(C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512035713 561889777 /nfs/dbraw/zinc/88/97/77/561889777.db2.gz WWYNZFUZHHNXPH-UHFFFAOYSA-N -1 1 354.410 2.434 20 0 FEADMM CC(C)C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)C(=O)OC(C)(C)C ZINC000512162706 561894568 /nfs/dbraw/zinc/89/45/68/561894568.db2.gz GLLAORSYFUAPEW-ZDUSSCGKSA-N -1 1 362.430 2.160 20 0 FEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)c1 ZINC000364121549 555253674 /nfs/dbraw/zinc/25/36/74/555253674.db2.gz QNMPRYCRCBHGTN-AWEZNQCLSA-N -1 1 370.446 2.163 20 0 FEADMM C[C@H](c1nc(-c2cccc(F)c2)no1)S(=O)(=O)c1nc2ncncc2[n-]1 ZINC000364288411 555285421 /nfs/dbraw/zinc/28/54/21/555285421.db2.gz HAKWWQJNWGOUDW-MRVPVSSYSA-N -1 1 374.357 2.077 20 0 FEADMM C[C@H](c1nc(-c2cccc(F)c2)no1)S(=O)(=O)c1nc2cncnc2[n-]1 ZINC000364288411 555285422 /nfs/dbraw/zinc/28/54/22/555285422.db2.gz HAKWWQJNWGOUDW-MRVPVSSYSA-N -1 1 374.357 2.077 20 0 FEADMM C[C@H](c1nc(-c2cccc(F)c2)no1)S(=O)(=O)c1nc2c[n-]cnc-2n1 ZINC000364288411 555285423 /nfs/dbraw/zinc/28/54/23/555285423.db2.gz HAKWWQJNWGOUDW-MRVPVSSYSA-N -1 1 374.357 2.077 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)c2nc(-c3cccc(F)c3)no2)n[n-]1 ZINC000364309196 555288925 /nfs/dbraw/zinc/28/89/25/555288925.db2.gz ZKAMVHBUZGIDGC-MRVPVSSYSA-N -1 1 351.363 2.091 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@@H](C)CC ZINC000512350929 561901747 /nfs/dbraw/zinc/90/17/47/561901747.db2.gz AVQWSSAFIMGPPD-ATZCPQFDSA-N -1 1 373.515 2.279 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCOc3c(C)cccc32)c1 ZINC000364538115 555331963 /nfs/dbraw/zinc/33/19/63/555331963.db2.gz OMADFJAEPZJKOR-ZDUSSCGKSA-N -1 1 351.380 2.177 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccsc3)C[C@@H]2C)o1 ZINC000364636533 555359377 /nfs/dbraw/zinc/35/93/77/555359377.db2.gz LSDGVYUSRAAMIM-CMPLNLGQSA-N -1 1 354.453 2.267 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1=O ZINC000513541282 561942290 /nfs/dbraw/zinc/94/22/90/561942290.db2.gz PPUHVYTTWDIEEQ-SWLSCSKDSA-N -1 1 357.385 2.408 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000365990214 555720106 /nfs/dbraw/zinc/72/01/06/555720106.db2.gz TUHLXIUYTQBOFZ-GFCCVEGCSA-N -1 1 368.368 2.141 20 0 FEADMM Cn1nc(C(=O)N=c2cc(-c3cc4ccccc4s3)[n-][nH]2)ccc1=O ZINC000366156349 555767461 /nfs/dbraw/zinc/76/74/61/555767461.db2.gz JCPVHWMIRSQEJE-UHFFFAOYSA-N -1 1 351.391 2.637 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000513791882 561949824 /nfs/dbraw/zinc/94/98/24/561949824.db2.gz WNXQRZGQTDUCNP-CYBMUJFWSA-N -1 1 369.370 2.398 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c1 ZINC000513792792 561950089 /nfs/dbraw/zinc/95/00/89/561950089.db2.gz MGHDINGHLJGPFG-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c1 ZINC000513845603 561952219 /nfs/dbraw/zinc/95/22/19/561952219.db2.gz WZVSGSYSXRYZPJ-UHFFFAOYSA-N -1 1 359.787 2.077 20 0 FEADMM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000366728907 555919603 /nfs/dbraw/zinc/91/96/03/555919603.db2.gz FFOAHLJECFZEPH-CQSZACIVSA-N -1 1 359.430 2.407 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](c3ccsc3)C[C@H]2C)co1 ZINC000366817413 555942680 /nfs/dbraw/zinc/94/26/80/555942680.db2.gz ZZOROSUQHXNRMB-ZYHUDNBSSA-N -1 1 354.453 2.267 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@H](CN=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000367340113 556022718 /nfs/dbraw/zinc/02/27/18/556022718.db2.gz TUTLWESQWSLFRT-GFCCVEGCSA-N -1 1 370.400 2.482 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](c4ccnn4C)C3)c[n-]c2[nH+]1 ZINC000367348007 556024230 /nfs/dbraw/zinc/02/42/30/556024230.db2.gz CPIDNCWXCJLURL-ZDUSSCGKSA-N -1 1 351.410 2.397 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](c4ccnn4C)C3)cnc2n1 ZINC000367348007 556024233 /nfs/dbraw/zinc/02/42/33/556024233.db2.gz CPIDNCWXCJLURL-ZDUSSCGKSA-N -1 1 351.410 2.397 20 0 FEADMM O=c1[n-]c([C@@H]2CCCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000514813640 561980991 /nfs/dbraw/zinc/98/09/91/561980991.db2.gz HDNSZLUDXJYXRX-OLZOCXBDSA-N -1 1 370.375 2.312 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000367772093 556135367 /nfs/dbraw/zinc/13/53/67/556135367.db2.gz XMUQUUGWRQBOPV-INIZCTEOSA-N -1 1 365.437 2.080 20 0 FEADMM Cn1nccc1CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000515256594 562002667 /nfs/dbraw/zinc/00/26/67/562002667.db2.gz HULQTRKHPSIWGZ-UHFFFAOYSA-N -1 1 361.199 2.366 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000368494238 556326156 /nfs/dbraw/zinc/32/61/56/556326156.db2.gz YBEQVKWWMPDXNB-UXHICEINSA-N -1 1 372.469 2.306 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000368494242 556326435 /nfs/dbraw/zinc/32/64/35/556326435.db2.gz YBEQVKWWMPDXNB-WOJBJXKFSA-N -1 1 372.469 2.306 20 0 FEADMM O=C(Cc1ccccn1)N1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000368794268 556414891 /nfs/dbraw/zinc/41/48/91/556414891.db2.gz GZPLLEQKMXEACU-UHFFFAOYSA-N -1 1 373.840 2.358 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NCc2ccc(F)c(CN(C)C)c2)s[n-]1 ZINC000515712359 562020036 /nfs/dbraw/zinc/02/00/36/562020036.db2.gz FLJPOJYJLMGIPB-SNVBAGLBSA-N -1 1 367.450 2.190 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(F)c1 ZINC000516052389 562029157 /nfs/dbraw/zinc/02/91/57/562029157.db2.gz PCJPPPNQTDOCRW-IUODEOHRSA-N -1 1 360.426 2.245 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NC[C@@H]2CCCN2CC(F)F)[n-]n1 ZINC000624518612 556599550 /nfs/dbraw/zinc/59/95/50/556599550.db2.gz IMUKIVUCQOWCIR-ZDUSSCGKSA-N -1 1 353.417 2.290 20 0 FEADMM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000369514673 556616505 /nfs/dbraw/zinc/61/65/05/556616505.db2.gz CXJAMLQVWYSHPA-SFHVURJKSA-N -1 1 371.485 2.026 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCc3sc(C)nc32)o1 ZINC000369798004 556698142 /nfs/dbraw/zinc/69/81/42/556698142.db2.gz AMDHANIYUZGJFK-SNVBAGLBSA-N -1 1 370.452 2.230 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000369964744 556743343 /nfs/dbraw/zinc/74/33/43/556743343.db2.gz NSMYWWKOTUPZBD-ZDUSSCGKSA-N -1 1 357.410 2.155 20 0 FEADMM Cc1ccc2nc(C3CC3)cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c2c1 ZINC000369968221 556744203 /nfs/dbraw/zinc/74/42/03/556744203.db2.gz BIUSNABVNCYNRX-QGZVFWFLSA-N -1 1 364.409 2.147 20 0 FEADMM COc1ccc([C@H]2[C@H](C(=O)[N-]OCC(F)(F)F)CCC(=O)N2C)cc1 ZINC000370134878 556790476 /nfs/dbraw/zinc/79/04/76/556790476.db2.gz XRSHTHFZGNCCID-OCCSQVGLSA-N -1 1 360.332 2.215 20 0 FEADMM Cc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c(=O)[nH]1 ZINC000370374983 556854395 /nfs/dbraw/zinc/85/43/95/556854395.db2.gz RBJPBUDFQIZOIC-UHFFFAOYSA-N -1 1 351.366 2.143 20 0 FEADMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2cccc(C(N)=O)c2)cn1 ZINC000370571339 556911229 /nfs/dbraw/zinc/91/12/29/556911229.db2.gz CDMPQNQYZYXOBE-UHFFFAOYSA-N -1 1 374.397 2.126 20 0 FEADMM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000370705027 556945200 /nfs/dbraw/zinc/94/52/00/556945200.db2.gz DCZOARFXJQYJRJ-PWSUYJOCSA-N -1 1 361.316 2.204 20 0 FEADMM O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cc(F)ccc1[O-] ZINC000370930715 557020515 /nfs/dbraw/zinc/02/05/15/557020515.db2.gz FTDSLXSQJHHIMQ-MRVPVSSYSA-N -1 1 358.295 2.178 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3cccc(Br)c3)ccnc1-2 ZINC000806483044 674378869 /nfs/dbraw/zinc/37/88/69/674378869.db2.gz YHPDMXPJSDWYPD-UHFFFAOYSA-N -1 1 360.215 2.426 20 0 FEADMM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000517205632 562079287 /nfs/dbraw/zinc/07/92/87/562079287.db2.gz XVZDKPSBQBZZNW-OAHLLOKOSA-N -1 1 369.381 2.138 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)c2cccc(Br)c2[O-])C[C@@H](C)O1 ZINC000517348981 562086291 /nfs/dbraw/zinc/08/62/91/562086291.db2.gz PFJMDICCVPUNIO-VXGBXAGGSA-N -1 1 371.275 2.384 20 0 FEADMM CC1(C)c2ccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)cc2NC1=O ZINC000517361249 562086591 /nfs/dbraw/zinc/08/65/91/562086591.db2.gz JUTHMTQZUJCERU-LLVKDONJSA-N -1 1 356.382 2.025 20 0 FEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000517942692 562101326 /nfs/dbraw/zinc/10/13/26/562101326.db2.gz CLOOFBKRGZRSMH-RBUKOAKNSA-N -1 1 352.434 2.293 20 0 FEADMM COCCCCc1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000371903930 557325394 /nfs/dbraw/zinc/32/53/94/557325394.db2.gz LFZONVCRZSHOHK-UHFFFAOYSA-N -1 1 355.398 2.083 20 0 FEADMM COCC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000518460614 562112064 /nfs/dbraw/zinc/11/20/64/562112064.db2.gz CFWPBEMCPKSRAX-UHFFFAOYSA-N -1 1 356.188 2.185 20 0 FEADMM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372278766 557427918 /nfs/dbraw/zinc/42/79/18/557427918.db2.gz UFNCVAXXXQTFJW-MNOVXSKESA-N -1 1 369.347 2.392 20 0 FEADMM CCc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ncccc2[O-])CC1 ZINC000519032504 562123772 /nfs/dbraw/zinc/12/37/72/562123772.db2.gz ONLQCUFZNCEVJH-MRXNPFEDSA-N -1 1 369.465 2.461 20 0 FEADMM O=C(c1cnc(Cc2ccccc2F)s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372322325 557439337 /nfs/dbraw/zinc/43/93/37/557439337.db2.gz XCECWCFYXKVAGX-LBPRGKRZSA-N -1 1 372.429 2.406 20 0 FEADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000372456872 557475649 /nfs/dbraw/zinc/47/56/49/557475649.db2.gz HRMMPJDSXXHTBT-OWCLPIDISA-N -1 1 365.478 2.255 20 0 FEADMM Cc1oc(-c2ccccc2)c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1C ZINC000372489708 557484558 /nfs/dbraw/zinc/48/45/58/557484558.db2.gz GZARWLPXKUDXPQ-CQSZACIVSA-N -1 1 353.382 2.290 20 0 FEADMM CN1CCC[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)C1=O ZINC000372547539 557500178 /nfs/dbraw/zinc/50/01/78/557500178.db2.gz NYPLEPZXJRWPPW-MRXNPFEDSA-N -1 1 356.344 2.496 20 0 FEADMM O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372731842 557549210 /nfs/dbraw/zinc/54/92/10/557549210.db2.gz YFPQDRLKXHOCAA-ZDUSSCGKSA-N -1 1 371.832 2.118 20 0 FEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCC(=O)[O-])CC1 ZINC000519717848 562141289 /nfs/dbraw/zinc/14/12/89/562141289.db2.gz WXIFXVFMXQHSIH-CYBMUJFWSA-N -1 1 351.422 2.010 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCCOCC1 ZINC000372953492 557595761 /nfs/dbraw/zinc/59/57/61/557595761.db2.gz YVPXWRQGDRAAMY-UHFFFAOYSA-N -1 1 360.435 2.350 20 0 FEADMM CC(C)Cn1ccc2c1cccc2C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000373092516 557626777 /nfs/dbraw/zinc/62/67/77/557626777.db2.gz LSELFUTWJLLGQS-INIZCTEOSA-N -1 1 354.414 2.024 20 0 FEADMM CC(C)CCOCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000520062514 562148996 /nfs/dbraw/zinc/14/89/96/562148996.db2.gz DZVCOCAPIGTPBO-UHFFFAOYSA-N -1 1 360.476 2.149 20 0 FEADMM O=S(=O)([N-][C@H]1CCCc2c1cnn2CCO)c1c(F)cccc1Cl ZINC000373331780 557674208 /nfs/dbraw/zinc/67/42/08/557674208.db2.gz DIIGTAIKJHJBCX-ZDUSSCGKSA-N -1 1 373.837 2.024 20 0 FEADMM COc1cc(NC(=O)Nc2c(C)nn(C)c2C)ccc1[N-]S(C)(=O)=O ZINC000520323036 562153464 /nfs/dbraw/zinc/15/34/64/562153464.db2.gz MWRZFGLTJDNZLP-UHFFFAOYSA-N -1 1 367.431 2.061 20 0 FEADMM COc1cc(NC(=O)Nc2nc(C)c(C)o2)ccc1[N-]S(C)(=O)=O ZINC000520492725 562157485 /nfs/dbraw/zinc/15/74/85/562157485.db2.gz KLOZVZYSPVSBSA-UHFFFAOYSA-N -1 1 354.388 2.316 20 0 FEADMM Cc1nnc(-c2cccc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)c2)n1C ZINC000374752340 557925663 /nfs/dbraw/zinc/92/56/63/557925663.db2.gz RTQBDXNNPVFLHM-UHFFFAOYSA-N -1 1 363.381 2.030 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3C)CC2)co1 ZINC000374922690 557951991 /nfs/dbraw/zinc/95/19/91/557951991.db2.gz BGLKWLUIQAXADQ-UHFFFAOYSA-N -1 1 360.435 2.426 20 0 FEADMM Cn1cnc(-c2ccc(NC(=O)c3ccc4n[n-]c(=S)n4c3)cc2)n1 ZINC000375092445 557976671 /nfs/dbraw/zinc/97/66/71/557976671.db2.gz AOUCQGYTDAUWQH-UHFFFAOYSA-N -1 1 351.395 2.066 20 0 FEADMM COCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000375101839 557978400 /nfs/dbraw/zinc/97/84/00/557978400.db2.gz RACLIHLCUVWXMV-UHFFFAOYSA-N -1 1 369.352 2.273 20 0 FEADMM Cc1cc(S(=O)(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc(C(=O)[O-])c1Cl ZINC000375575680 558051315 /nfs/dbraw/zinc/05/13/15/558051315.db2.gz AEHWJEYDPSVREO-SMDDNHRTSA-N -1 1 372.874 2.061 20 0 FEADMM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)n[n-]1 ZINC000375637060 558060624 /nfs/dbraw/zinc/06/06/24/558060624.db2.gz RSZGYUHJZFJSHY-SSDOTTSWSA-N -1 1 353.791 2.351 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3C[C@H](C)O[C@@]4(CCCOC4)C3)c2=O)[nH+]1 ZINC000376444797 558174019 /nfs/dbraw/zinc/17/40/19/558174019.db2.gz WTYFSONVRFODRQ-DJJJIMSYSA-N -1 1 357.410 2.054 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@@]4(CCCOC4)C3)cnc2n1 ZINC000376444797 558174021 /nfs/dbraw/zinc/17/40/21/558174021.db2.gz WTYFSONVRFODRQ-DJJJIMSYSA-N -1 1 357.410 2.054 20 0 FEADMM O=C(c1ccccc1[O-])N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000377114183 558269358 /nfs/dbraw/zinc/26/93/58/558269358.db2.gz BEEWRCSTEBGHQN-ZIAGYGMSSA-N -1 1 352.390 2.041 20 0 FEADMM Cc1noc(-c2ccc(C)c(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000522274065 562195879 /nfs/dbraw/zinc/19/58/79/562195879.db2.gz QNMYVBXHYHXKLO-UHFFFAOYSA-N -1 1 362.367 2.181 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)Oc2ccccc2)o1 ZINC000522280286 562196083 /nfs/dbraw/zinc/19/60/83/562196083.db2.gz CUALODREASWSIH-UHFFFAOYSA-N -1 1 353.396 2.202 20 0 FEADMM O=c1[n-]c(C2CCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)n[nH]1 ZINC000377588829 558372083 /nfs/dbraw/zinc/37/20/83/558372083.db2.gz GHIPZFIEVJDDTM-AWEZNQCLSA-N -1 1 361.833 2.149 20 0 FEADMM O=c1[n-]c(C2CCN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)n[nH]1 ZINC000377588832 558372297 /nfs/dbraw/zinc/37/22/97/558372297.db2.gz GHIPZFIEVJDDTM-CQSZACIVSA-N -1 1 361.833 2.149 20 0 FEADMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1sccc1Br ZINC000522374211 562197726 /nfs/dbraw/zinc/19/77/26/562197726.db2.gz MWTZTIBMIFUPDZ-UHFFFAOYSA-N -1 1 356.263 2.131 20 0 FEADMM O=C(CNC(=O)c1c(F)ccc([O-])c1F)N[C@H]1CCOc2ccccc21 ZINC000377859227 558436132 /nfs/dbraw/zinc/43/61/32/558436132.db2.gz GDNXROMLKKNFEB-LBPRGKRZSA-N -1 1 362.332 2.040 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3O[C@H]2C)o1 ZINC000378165383 558494471 /nfs/dbraw/zinc/49/44/71/558494471.db2.gz YVPIJXWLNWUCQA-SDBXPKJASA-N -1 1 355.343 2.006 20 0 FEADMM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000378186366 558498651 /nfs/dbraw/zinc/49/86/51/558498651.db2.gz WSYYRNRLKJIEEB-ZBFHGGJFSA-N -1 1 371.437 2.485 20 0 FEADMM Cc1ncc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000378280014 558518613 /nfs/dbraw/zinc/51/86/13/558518613.db2.gz DPHFNEJAIBVLGY-OAHLLOKOSA-N -1 1 366.512 2.037 20 0 FEADMM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(Br)s1 ZINC000398121432 558626226 /nfs/dbraw/zinc/62/62/26/558626226.db2.gz DLWBDEJWJLDQJQ-UHFFFAOYSA-N -1 1 354.169 2.325 20 0 FEADMM CC1(C)C[C@H](NC(=O)c2cc(I)ccc2[O-])CO1 ZINC000396513545 558623426 /nfs/dbraw/zinc/62/34/26/558623426.db2.gz QZSDWHHIJJYDDB-VIFPVBQESA-N -1 1 361.179 2.294 20 0 FEADMM C[C@@H]1CC[C@H](CNC(=O)c2cc(I)ccc2[O-])O1 ZINC000398079963 558625882 /nfs/dbraw/zinc/62/58/82/558625882.db2.gz RLUZWKQUHLFZDP-PSASIEDQSA-N -1 1 361.179 2.294 20 0 FEADMM CN(C[C@H]1CCOC1)C(=O)c1ccc(I)c([O-])c1 ZINC000398977667 558627636 /nfs/dbraw/zinc/62/76/36/558627636.db2.gz ZKCAUYGNVXCBDJ-SECBINFHSA-N -1 1 361.179 2.105 20 0 FEADMM CC(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000408051039 558641395 /nfs/dbraw/zinc/64/13/95/558641395.db2.gz MVMZYYMUPRUPMG-UHFFFAOYSA-N -1 1 357.284 2.344 20 0 FEADMM CN1CC[C@H]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@@H]2C1 ZINC000408460293 558679727 /nfs/dbraw/zinc/67/97/27/558679727.db2.gz NDGDBZRFCYXLPK-CMPLNLGQSA-N -1 1 364.389 2.126 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000410304391 558750664 /nfs/dbraw/zinc/75/06/64/558750664.db2.gz GNYGHHZIIPSQIT-NWDGAFQWSA-N -1 1 366.343 2.839 20 0 FEADMM Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000410412657 558755838 /nfs/dbraw/zinc/75/58/38/558755838.db2.gz DTEGDKKLBHQOCI-UHFFFAOYSA-N -1 1 374.422 2.233 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1 ZINC000525008473 562239363 /nfs/dbraw/zinc/23/93/63/562239363.db2.gz HCJZLPIGDVHJQI-UHFFFAOYSA-N -1 1 360.391 2.159 20 0 FEADMM COc1cc(NC(=O)NC(C2CC2)C2CC2)ccc1[N-]S(C)(=O)=O ZINC000525418617 562247875 /nfs/dbraw/zinc/24/78/75/562247875.db2.gz HMTLNXNGKRGYJO-UHFFFAOYSA-N -1 1 353.444 2.377 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])nc1C ZINC000412135145 559016445 /nfs/dbraw/zinc/01/64/45/559016445.db2.gz SIGHPNFPQNAHIH-UHFFFAOYSA-N -1 1 361.423 2.097 20 0 FEADMM O=C(N=c1cc(C2CCOCC2)[nH][nH]1)c1cnc2c(Cl)cccc2c1[O-] ZINC000412149061 559017112 /nfs/dbraw/zinc/01/71/12/559017112.db2.gz POFIEQGEOPMYTF-UHFFFAOYSA-N -1 1 372.812 3.051 20 0 FEADMM COCC[C@@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000412486594 559038724 /nfs/dbraw/zinc/03/87/24/559038724.db2.gz OMNABQNIIWVAFK-SECBINFHSA-N -1 1 363.195 2.399 20 0 FEADMM CO[C@@](C)([C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C1CC1 ZINC000412618075 559046923 /nfs/dbraw/zinc/04/69/23/559046923.db2.gz SYORRRKGGTXZSJ-DJJJIMSYSA-N -1 1 360.458 2.304 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2coc(-c3ccc(C)cc3)n2)[n-]n1 ZINC000413112939 559079470 /nfs/dbraw/zinc/07/94/70/559079470.db2.gz RLFHYIJSWUNSAC-UHFFFAOYSA-N -1 1 351.410 2.844 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000526947184 562270392 /nfs/dbraw/zinc/27/03/92/562270392.db2.gz DIMDVHFHDVESAH-WDEREUQCSA-N -1 1 361.847 2.140 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)c(Cl)c1 ZINC000414204208 559153055 /nfs/dbraw/zinc/15/30/55/559153055.db2.gz FTCTWPFFHUOOSQ-UHFFFAOYSA-N -1 1 354.819 2.056 20 0 FEADMM NC(=O)CCOc1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000414366061 559158854 /nfs/dbraw/zinc/15/88/54/559158854.db2.gz BBDNHXXUMAVMIH-WMLDXEAASA-N -1 1 360.435 2.239 20 0 FEADMM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000414391814 559160931 /nfs/dbraw/zinc/16/09/31/559160931.db2.gz CHLCPOVBIIZKKJ-LLVKDONJSA-N -1 1 350.396 2.168 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2cccc(OC(F)F)c2)C1=O ZINC000414657867 559177975 /nfs/dbraw/zinc/17/79/75/559177975.db2.gz MHBCMMBGIRACMW-KBPBESRZSA-N -1 1 356.369 2.088 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1Br ZINC000527112773 562276996 /nfs/dbraw/zinc/27/69/96/562276996.db2.gz IHIPHXUBVIWFCO-UHFFFAOYSA-N -1 1 373.276 2.228 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCOc1ccccc1C(C)(C)C ZINC000416155620 559295050 /nfs/dbraw/zinc/29/50/50/559295050.db2.gz DQKRCZQVCOUPGP-UHFFFAOYSA-N -1 1 361.398 2.003 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000416233568 559300118 /nfs/dbraw/zinc/30/01/18/559300118.db2.gz JPVYFXGXCASBFE-JTQLQIEISA-N -1 1 371.315 2.047 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)Nc3cc(C(=O)[O-])ccc3F)cn21 ZINC000416405806 559310541 /nfs/dbraw/zinc/31/05/41/559310541.db2.gz CWLJSHQNMJOPEU-VIFPVBQESA-N -1 1 353.375 2.419 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)CC(F)(F)F ZINC000416601297 559324397 /nfs/dbraw/zinc/32/43/97/559324397.db2.gz JCOSXFBWRWLUAZ-LURJTMIESA-N -1 1 356.297 2.127 20 0 FEADMM COc1ccc(Br)cc1[C@@H](NCc1cn(C)nc1C)C(=O)[O-] ZINC000417568594 559367125 /nfs/dbraw/zinc/36/71/25/559367125.db2.gz UIBIIOWSCZHKNR-CQSZACIVSA-N -1 1 368.231 2.415 20 0 FEADMM COC(=O)c1cc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2OC)c[nH]1 ZINC000417582876 559367819 /nfs/dbraw/zinc/36/78/19/559367819.db2.gz KBXMTMXOFNNVLZ-CYBMUJFWSA-N -1 1 362.382 2.124 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC)c1ccco1 ZINC000420676527 559497290 /nfs/dbraw/zinc/49/72/90/559497290.db2.gz QLPIQSLCOLPCHS-JKSUJKDBSA-N -1 1 353.440 2.144 20 0 FEADMM CCCc1[nH]ccc1C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000421900966 559555965 /nfs/dbraw/zinc/55/59/65/559555965.db2.gz ZAFHYGYEIQWBFZ-UHFFFAOYSA-N -1 1 359.430 2.282 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C[C@H](CC)O1 ZINC000421966138 559558411 /nfs/dbraw/zinc/55/84/11/559558411.db2.gz ZEACFQLZPWLOBL-HOTGVXAUSA-N -1 1 370.453 2.099 20 0 FEADMM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)[O-] ZINC000422658379 559600745 /nfs/dbraw/zinc/60/07/45/559600745.db2.gz RFMMZEFXOSHTHT-NSHDSACASA-N -1 1 368.340 2.055 20 0 FEADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1 ZINC000424066549 559653406 /nfs/dbraw/zinc/65/34/06/559653406.db2.gz NOSHHYFOKKFEKN-UHFFFAOYSA-N -1 1 354.472 2.241 20 0 FEADMM CS(=O)(=O)c1ccc(OCCN2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000424261053 559659792 /nfs/dbraw/zinc/65/97/92/559659792.db2.gz OSZRZSANXHXYCX-CQSZACIVSA-N -1 1 355.456 2.188 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)[C@H]1C(=O)[O-] ZINC000424365694 559662096 /nfs/dbraw/zinc/66/20/96/559662096.db2.gz HMAWKXUVOKOQPW-QPUJVOFHSA-N -1 1 367.345 2.285 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc2)cc1 ZINC000425035756 559684577 /nfs/dbraw/zinc/68/45/77/559684577.db2.gz JWLMUBGPVJFSIH-IAGOWNOFSA-N -1 1 360.435 2.049 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H]3O)c2)c1 ZINC000425049565 559685264 /nfs/dbraw/zinc/68/52/64/559685264.db2.gz AHCZSLKWEVGTBE-IAGOWNOFSA-N -1 1 360.435 2.049 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc2)cc1C ZINC000425061505 559685861 /nfs/dbraw/zinc/68/58/61/559685861.db2.gz QSMRJUNVLATLPP-QZTJIDSGSA-N -1 1 374.462 2.357 20 0 FEADMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC000425175708 559689582 /nfs/dbraw/zinc/68/95/82/559689582.db2.gz KOMPRKISSGIMQI-CQSZACIVSA-N -1 1 355.406 2.464 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425239122 559692929 /nfs/dbraw/zinc/69/29/29/559692929.db2.gz KBMNXVRGHPKEQT-GOEBONIOSA-N -1 1 360.483 2.663 20 0 FEADMM CC(C)(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc2c(c1)OCO2 ZINC000425297338 559695155 /nfs/dbraw/zinc/69/51/55/559695155.db2.gz IFIKRKRYZVPKLO-LLVKDONJSA-N -1 1 359.382 2.188 20 0 FEADMM O=C([C@@H]1CCN(c2ccccc2F)C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425323457 559696639 /nfs/dbraw/zinc/69/66/39/559696639.db2.gz OQXTXFJACPSVPD-CYBMUJFWSA-N -1 1 360.389 2.147 20 0 FEADMM O=C(C[C@H](c1ncc[nH]1)c1ccccc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425325247 559696854 /nfs/dbraw/zinc/69/68/54/559696854.db2.gz RRYVAVZKTQXSNN-HNNXBMFYSA-N -1 1 367.409 2.427 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccc(C)cc1 ZINC000425913049 559725054 /nfs/dbraw/zinc/72/50/54/559725054.db2.gz BYGPPCAYSLGDQN-CQSZACIVSA-N -1 1 359.451 2.712 20 0 FEADMM N=c1nc(N2CCN(C(=O)NCCCC3CCCCC3)CC2)s[n-]1 ZINC000426047183 559728348 /nfs/dbraw/zinc/72/83/48/559728348.db2.gz DCDPDYSWDZZAKB-UHFFFAOYSA-N -1 1 352.508 2.312 20 0 FEADMM COCc1nc(=NC2CCN(C(=O)CCc3ccccc3)CC2)s[n-]1 ZINC000426529683 559736947 /nfs/dbraw/zinc/73/69/47/559736947.db2.gz LIXYGNCWVRWLHA-UHFFFAOYSA-N -1 1 360.483 2.142 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000426723992 559740956 /nfs/dbraw/zinc/74/09/56/559740956.db2.gz OWORVPPJCNHWEW-SCLBCKFNSA-N -1 1 359.451 2.109 20 0 FEADMM COc1ccc([C@H](NCc2cc3c(cc2OC)OCO3)C(=O)[O-])cc1F ZINC000426823541 559742497 /nfs/dbraw/zinc/74/24/97/559742497.db2.gz JEIKPWQKEBKLGZ-KRWDZBQOSA-N -1 1 363.341 2.487 20 0 FEADMM Cc1cnc(C(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000427150523 559749294 /nfs/dbraw/zinc/74/92/94/559749294.db2.gz QGZCAVXWHAZBAO-LLVKDONJSA-N -1 1 352.793 2.469 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cnn1C ZINC000427351984 559753947 /nfs/dbraw/zinc/75/39/47/559753947.db2.gz JVGBQIFTSGGVSR-UHFFFAOYSA-N -1 1 353.297 2.409 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ncccc1[O-] ZINC000427530592 559757450 /nfs/dbraw/zinc/75/74/50/559757450.db2.gz JUCQSAYEXNYEAO-LBPRGKRZSA-N -1 1 354.328 2.387 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)s1 ZINC000427647183 559759692 /nfs/dbraw/zinc/75/96/92/559759692.db2.gz KTASAHMYIXYROA-UHFFFAOYSA-N -1 1 351.413 2.087 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1CCO ZINC000428588693 559779103 /nfs/dbraw/zinc/77/91/03/559779103.db2.gz KPWRGUYVLAHOGH-KRWDZBQOSA-N -1 1 374.462 2.474 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1ncccc1[O-] ZINC000430159604 559814443 /nfs/dbraw/zinc/81/44/43/559814443.db2.gz AKZLUTNNDLSIQG-LBPRGKRZSA-N -1 1 365.227 2.131 20 0 FEADMM COc1nc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2s1 ZINC000430978061 559831888 /nfs/dbraw/zinc/83/18/88/559831888.db2.gz ZGKDVNFRSNZLMJ-UHFFFAOYSA-N -1 1 353.381 2.132 20 0 FEADMM C[C@H](CN=c1[n-]c(C(N)=O)cs1)Oc1ccc(Br)cc1 ZINC000432314880 559856055 /nfs/dbraw/zinc/85/60/55/559856055.db2.gz SEEADESMESDCIM-MRVPVSSYSA-N -1 1 356.245 2.884 20 0 FEADMM C[C@H](CN=c1ccc(C(=O)NC2CCCC2)n[n-]1)N1CCc2ccccc21 ZINC000432145627 559852857 /nfs/dbraw/zinc/85/28/57/559852857.db2.gz UTPGKHASAKUCKV-OAHLLOKOSA-N -1 1 365.481 3.012 20 0 FEADMM NC(=O)c1csc(=N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[n-]1 ZINC000432157611 559853063 /nfs/dbraw/zinc/85/30/63/559853063.db2.gz KYYKSEDYGJWLAR-JTQLQIEISA-N -1 1 371.249 2.766 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432193561 559853792 /nfs/dbraw/zinc/85/37/92/559853792.db2.gz VQSZESRFJLATPM-UHFFFAOYSA-N -1 1 372.381 2.418 20 0 FEADMM COc1cc(NC(=O)NCC2(SC)CCC2)ccc1[N-]S(C)(=O)=O ZINC000432866593 559866589 /nfs/dbraw/zinc/86/65/89/559866589.db2.gz MFGYCVFSQKRGBV-UHFFFAOYSA-N -1 1 373.500 2.474 20 0 FEADMM COC(=O)c1[n-]c(=NCc2cc(OC)c(OC)cc2OC)sc1C ZINC000433627830 559885300 /nfs/dbraw/zinc/88/53/00/559885300.db2.gz FAQBTOAJEWELMB-UHFFFAOYSA-N -1 1 352.412 2.876 20 0 FEADMM CN(C(=O)c1cc(I)ccc1[O-])c1ccn(C)n1 ZINC000436978478 559958265 /nfs/dbraw/zinc/95/82/65/559958265.db2.gz IDLDNRFDJFZBOU-UHFFFAOYSA-N -1 1 357.151 2.007 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(NC(=O)N(C)C)c2)sc1C ZINC000435219608 559918139 /nfs/dbraw/zinc/91/81/39/559918139.db2.gz FZJAWXDWJZCWAM-UHFFFAOYSA-N -1 1 368.484 2.332 20 0 FEADMM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435442615 559923262 /nfs/dbraw/zinc/92/32/62/559923262.db2.gz LWURELRBWGAYOM-IONNQARKSA-N -1 1 369.245 2.455 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000436189250 559937185 /nfs/dbraw/zinc/93/71/85/559937185.db2.gz KINPUYJWFVBMSV-UHFFFAOYSA-N -1 1 351.355 2.443 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ncccn3)s2)c1 ZINC000436502543 559943577 /nfs/dbraw/zinc/94/35/77/559943577.db2.gz HSFPYDDHLGOLGZ-UHFFFAOYSA-N -1 1 356.363 2.345 20 0 FEADMM O=C(N=c1ccn(CC(F)(F)F)[nH]1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000436507183 559943723 /nfs/dbraw/zinc/94/37/23/559943723.db2.gz FDQOGGVAFRVLSW-UHFFFAOYSA-N -1 1 356.333 2.385 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)c1 ZINC000436516537 559943982 /nfs/dbraw/zinc/94/39/82/559943982.db2.gz WMITVTVUHFYJFD-NSHDSACASA-N -1 1 367.365 2.032 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)ccc1O ZINC000436522682 559944137 /nfs/dbraw/zinc/94/41/37/559944137.db2.gz WMVWACWNTPCQGS-UHFFFAOYSA-N -1 1 361.379 2.164 20 0 FEADMM NC(=O)CNC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436528138 559944270 /nfs/dbraw/zinc/94/42/70/559944270.db2.gz WHKLRZZGZSANSO-UHFFFAOYSA-N -1 1 363.373 2.013 20 0 FEADMM COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436535407 559944625 /nfs/dbraw/zinc/94/46/25/559944625.db2.gz ZXRXCCMNDZEWGC-UHFFFAOYSA-N -1 1 353.371 2.337 20 0 FEADMM CS(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436559161 559945356 /nfs/dbraw/zinc/94/53/56/559945356.db2.gz YNECHKFWOITGST-UHFFFAOYSA-N -1 1 369.826 2.258 20 0 FEADMM O=C(C(=O)N1CCN(c2cncc3ccccc32)CC1)c1ccc([O-])cc1 ZINC000436584159 559946082 /nfs/dbraw/zinc/94/60/82/559946082.db2.gz LVBYIBUZMUUATG-UHFFFAOYSA-N -1 1 361.401 2.472 20 0 FEADMM O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000436607748 559946390 /nfs/dbraw/zinc/94/63/90/559946390.db2.gz PHIQNKRQLJONBH-INIZCTEOSA-N -1 1 354.341 2.364 20 0 FEADMM C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1)n1cncn1 ZINC000436675374 559948636 /nfs/dbraw/zinc/94/86/36/559948636.db2.gz VDKNOGZTZQBDGG-LLVKDONJSA-N -1 1 367.365 2.141 20 0 FEADMM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)C(=O)c1ccc([O-])cc1 ZINC000436701034 559949306 /nfs/dbraw/zinc/94/93/06/559949306.db2.gz YPSFJNKTNWTALL-UHFFFAOYSA-N -1 1 353.353 2.259 20 0 FEADMM CC(C)CN1CCN(C(=O)c2cc(Br)ccc2[O-])[C@H](C)C1=O ZINC000436764478 559951220 /nfs/dbraw/zinc/95/12/20/559951220.db2.gz RDHBWYCMQWXIDM-LLVKDONJSA-N -1 1 369.259 2.484 20 0 FEADMM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436842146 559953823 /nfs/dbraw/zinc/95/38/23/559953823.db2.gz XJBYODAEMMUFJZ-GFCCVEGCSA-N -1 1 355.232 2.238 20 0 FEADMM CCN(CC(=O)Nc1ccccc1OC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436862151 559954653 /nfs/dbraw/zinc/95/46/53/559954653.db2.gz XSBYEFQHXNPAQL-UHFFFAOYSA-N -1 1 356.378 2.071 20 0 FEADMM COCCOc1ccc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1OC ZINC000436899863 559955902 /nfs/dbraw/zinc/95/59/02/559955902.db2.gz GGJWYRCRPPDRDZ-ZDUSSCGKSA-N -1 1 373.405 2.486 20 0 FEADMM CCOCCO[C@H](C)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916534 559956137 /nfs/dbraw/zinc/95/61/37/559956137.db2.gz UGNWXUFGQAWCPS-SECBINFHSA-N -1 1 354.794 2.211 20 0 FEADMM CCOCCO[C@H](C)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916534 559956138 /nfs/dbraw/zinc/95/61/38/559956138.db2.gz UGNWXUFGQAWCPS-SECBINFHSA-N -1 1 354.794 2.211 20 0 FEADMM O=C(CCOC[C@@H]1CCCO1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915536 559956285 /nfs/dbraw/zinc/95/62/85/559956285.db2.gz OOXPSOIIPHCERF-NSHDSACASA-N -1 1 366.805 2.355 20 0 FEADMM O=C(CCOC[C@@H]1CCCO1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915536 559956286 /nfs/dbraw/zinc/95/62/86/559956286.db2.gz OOXPSOIIPHCERF-NSHDSACASA-N -1 1 366.805 2.355 20 0 FEADMM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916801 559956470 /nfs/dbraw/zinc/95/64/70/559956470.db2.gz XTFIVDWKIGCFOU-ONGXEEELSA-N -1 1 366.805 2.353 20 0 FEADMM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916801 559956471 /nfs/dbraw/zinc/95/64/71/559956471.db2.gz XTFIVDWKIGCFOU-ONGXEEELSA-N -1 1 366.805 2.353 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000436947224 559957299 /nfs/dbraw/zinc/95/72/99/559957299.db2.gz FWYFNAMRTHUMFT-UHFFFAOYSA-N -1 1 366.414 2.148 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cnc(C)nc2)c1 ZINC000436961120 559957414 /nfs/dbraw/zinc/95/74/14/559957414.db2.gz LWEWYTDNJZNDFJ-UHFFFAOYSA-N -1 1 353.338 2.292 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccccc2O)CC1)c1c([O-])cccc1F ZINC000436978306 559958273 /nfs/dbraw/zinc/95/82/73/559958273.db2.gz HXQPLCVMZDYKGY-UHFFFAOYSA-N -1 1 358.369 2.272 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1cccs1 ZINC000437221402 559961962 /nfs/dbraw/zinc/96/19/62/559961962.db2.gz YMRBFTIHAQBWIF-KCQAQPDRSA-N -1 1 372.512 2.309 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000437221401 559961972 /nfs/dbraw/zinc/96/19/72/559961972.db2.gz YMRBFTIHAQBWIF-GZBFAFLISA-N -1 1 372.512 2.309 20 0 FEADMM COc1cc(NC(=O)NCCC(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000438066605 559973650 /nfs/dbraw/zinc/97/36/50/559973650.db2.gz LURQSAVHQNYESC-UHFFFAOYSA-N -1 1 355.338 2.141 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438382386 559978243 /nfs/dbraw/zinc/97/82/43/559978243.db2.gz WWIZDHMFVGINSP-UBHSHLNASA-N -1 1 356.426 2.119 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3C[C@H]3CC)c2)n1 ZINC000438596526 559981159 /nfs/dbraw/zinc/98/11/59/559981159.db2.gz DTGPFXMJLDJHAV-TZMCWYRMSA-N -1 1 357.414 2.246 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1C(=O)OC ZINC000438723455 559982791 /nfs/dbraw/zinc/98/27/91/559982791.db2.gz NDCOFECYILLJBZ-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cn1C ZINC000439562911 559996943 /nfs/dbraw/zinc/99/69/43/559996943.db2.gz AEPADBKXZZLFCG-UHFFFAOYSA-N -1 1 352.412 2.238 20 0 FEADMM CO[C@H]1C[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000439994849 560002857 /nfs/dbraw/zinc/00/28/57/560002857.db2.gz AFVVMAGHFIPHLO-GJZGRUSLSA-N -1 1 356.426 2.025 20 0 FEADMM CCc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)[nH]c(C)c1C(N)=O ZINC000440118602 560004902 /nfs/dbraw/zinc/00/49/02/560004902.db2.gz LLRAEQFEDOKLRF-UHFFFAOYSA-N -1 1 353.382 2.332 20 0 FEADMM C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000440210587 560006773 /nfs/dbraw/zinc/00/67/73/560006773.db2.gz ZLQMUKOTTAXYRT-LJQANCHMSA-N -1 1 374.462 2.378 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCC(F)(F)F)o1 ZINC000440545397 560014112 /nfs/dbraw/zinc/01/41/12/560014112.db2.gz UWLNWGXOZROKJK-UHFFFAOYSA-N -1 1 356.366 2.429 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1 ZINC000442233805 560046595 /nfs/dbraw/zinc/04/65/95/560046595.db2.gz FRSWUXSPAQRFAR-UHFFFAOYSA-N -1 1 374.422 2.428 20 0 FEADMM CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1(C)C ZINC000442922409 560062379 /nfs/dbraw/zinc/06/23/79/560062379.db2.gz GYGZALYCYSGZOF-CXAGYDPISA-N -1 1 357.834 2.350 20 0 FEADMM CCN1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@@H]1c1ncc[nH]1 ZINC000442987127 560065227 /nfs/dbraw/zinc/06/52/27/560065227.db2.gz JJQHALSPLXZAOX-CYBMUJFWSA-N -1 1 364.833 2.296 20 0 FEADMM CCOC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000443243357 560076029 /nfs/dbraw/zinc/07/60/29/560076029.db2.gz WTOZQRCPRFTIOG-QMMMGPOBSA-N -1 1 361.769 2.035 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)c1 ZINC000443417895 560083478 /nfs/dbraw/zinc/08/34/78/560083478.db2.gz NSBFYUNYEXNJDW-UHFFFAOYSA-N -1 1 361.423 2.327 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N(CCC(C)C)CCC(C)C)n[n-]1 ZINC000444451377 560113993 /nfs/dbraw/zinc/11/39/93/560113993.db2.gz VMENEOGZDQCKQD-UHFFFAOYSA-N -1 1 358.508 2.062 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2ccc(C)c(N3CC[NH+]=C3[O-])c2)s1 ZINC000447270968 560159184 /nfs/dbraw/zinc/15/91/84/560159184.db2.gz LCNAMWBYAWMIJP-UHFFFAOYSA-N -1 1 366.468 2.344 20 0 FEADMM O=S(=O)(C[C@@H]1Cc2ccccc2O1)c1nc(Cc2cccs2)n[n-]1 ZINC000447491176 560163263 /nfs/dbraw/zinc/16/32/63/560163263.db2.gz NZYRSQLBKXRRAB-LBPRGKRZSA-N -1 1 361.448 2.234 20 0 FEADMM O=S(=O)(C[C@@H]1Cc2ccccc2O1)c1nnc(Cc2cccs2)[n-]1 ZINC000447491176 560163264 /nfs/dbraw/zinc/16/32/64/560163264.db2.gz NZYRSQLBKXRRAB-LBPRGKRZSA-N -1 1 361.448 2.234 20 0 FEADMM O=S(=O)(C[C@@H]1Cc2ccccc2O1)c1n[n-]c(Cc2cccs2)n1 ZINC000447491176 560163265 /nfs/dbraw/zinc/16/32/65/560163265.db2.gz NZYRSQLBKXRRAB-LBPRGKRZSA-N -1 1 361.448 2.234 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448180256 560179966 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COC[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)OC ZINC000451382570 560303661 /nfs/dbraw/zinc/30/36/61/560303661.db2.gz IECKDOZHPHTDPQ-VIFPVBQESA-N -1 1 363.844 2.021 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)cs1)c1ccc2c(c1)CCO2 ZINC000451407694 560305062 /nfs/dbraw/zinc/30/50/62/560305062.db2.gz XFVFXXFJDGCCLW-OAHLLOKOSA-N -1 1 367.448 2.184 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C)o1 ZINC000451865734 560333369 /nfs/dbraw/zinc/33/33/69/560333369.db2.gz XYQCCNITBQZSAU-DOMZBBRYSA-N -1 1 361.460 2.024 20 0 FEADMM CCN1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000451874445 560333853 /nfs/dbraw/zinc/33/38/53/560333853.db2.gz YAWOXWDJKLETHK-ZETCQYMHSA-N -1 1 355.218 2.032 20 0 FEADMM CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000454367537 560441854 /nfs/dbraw/zinc/44/18/54/560441854.db2.gz OGGGOKFEMVCBSS-LJQANCHMSA-N -1 1 357.410 2.117 20 0 FEADMM CC[C@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C(F)F ZINC000454767364 560457388 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CSc1nc(C)c(CCC(=O)NC[C@@H]2CCOC(C)(C)C2)c(=O)[n-]1 ZINC000457159223 560553760 /nfs/dbraw/zinc/55/37/60/560553760.db2.gz OUMPISDRPAJXNS-GFCCVEGCSA-N -1 1 353.488 2.467 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H]3C[C@H]3CC)c2)n1 ZINC000458999258 560661099 /nfs/dbraw/zinc/66/10/99/560661099.db2.gz XMKNBOCRTLDUCO-HIFRSBDPSA-N -1 1 371.441 2.494 20 0 FEADMM COc1cc(C(=O)NC[C@H](O)COc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000460122950 560735682 /nfs/dbraw/zinc/73/56/82/560735682.db2.gz HELRBBMIKQRLSH-LBPRGKRZSA-N -1 1 369.776 2.363 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)n1 ZINC000460565166 560746355 /nfs/dbraw/zinc/74/63/55/560746355.db2.gz YFGNVZBMPHWKFZ-UHFFFAOYSA-N -1 1 367.175 2.209 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(F)cn2)no1 ZINC000460619082 560747305 /nfs/dbraw/zinc/74/73/05/560747305.db2.gz ICNSBFGWZSKSNR-QMMMGPOBSA-N -1 1 354.388 2.372 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1 ZINC000460826268 560752862 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CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461583262 560775785 /nfs/dbraw/zinc/77/57/85/560775785.db2.gz KTJFMXWXFTZXNO-BUXKBTBVSA-N -1 1 358.442 2.008 20 0 FEADMM CCN(CC)c1nc2sc(C(=O)NC(C)(C)c3nn[n-]n3)cc2s1 ZINC000461635406 560778365 /nfs/dbraw/zinc/77/83/65/560778365.db2.gz KVZCJYGFHUYJOO-UHFFFAOYSA-N -1 1 365.488 2.382 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000461749118 560781445 /nfs/dbraw/zinc/78/14/45/560781445.db2.gz SKOZEOPUUHXOOD-SECBINFHSA-N -1 1 368.846 2.445 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)[C@@H](C)COC)c1 ZINC000461798040 560784579 /nfs/dbraw/zinc/78/45/79/560784579.db2.gz SBRJWECMHOQZDT-STQMWFEESA-N -1 1 372.487 2.280 20 0 FEADMM CCOC(=O)c1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000461968479 560790120 /nfs/dbraw/zinc/79/01/20/560790120.db2.gz HDXAYCXGEPHTGM-UHFFFAOYSA-N -1 1 368.349 2.173 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc3c2OCCO3)o1 ZINC000462326548 560805971 /nfs/dbraw/zinc/80/59/71/560805971.db2.gz LNEBMCSHCRNQCA-ZDUSSCGKSA-N -1 1 367.423 2.279 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4n[nH]cc4c3)cc2oc1=O ZINC000466977887 560900798 /nfs/dbraw/zinc/90/07/98/560900798.db2.gz VLJHOILEUSDOES-UHFFFAOYSA-N -1 1 358.379 2.292 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)ccc1C ZINC000467090574 560903471 /nfs/dbraw/zinc/90/34/71/560903471.db2.gz NTVCLTBMLLNOOC-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM CC(C)C[C@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000467864918 560919070 /nfs/dbraw/zinc/91/90/70/560919070.db2.gz PFMYVSARXWLIFD-HNNXBMFYSA-N -1 1 359.499 2.599 20 0 FEADMM N=c1nc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)s[n-]1 ZINC000468787544 560938753 /nfs/dbraw/zinc/93/87/53/560938753.db2.gz BWJBUBUZPQQNTE-UHFFFAOYSA-N -1 1 360.418 2.237 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c[nH]1 ZINC000468973698 560943587 /nfs/dbraw/zinc/94/35/87/560943587.db2.gz NORXVZSLLZLFGP-UHFFFAOYSA-N -1 1 350.396 2.316 20 0 FEADMM Cc1cc(C(=O)Nc2ccc3c(c2)CCCO3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469127928 560947904 /nfs/dbraw/zinc/94/79/04/560947904.db2.gz VJEABSIGVGIKKV-UHFFFAOYSA-N -1 1 352.350 2.322 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)cc1 ZINC000469213276 560950144 /nfs/dbraw/zinc/95/01/44/560950144.db2.gz OPPCOKLPDXKZJH-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000469366047 560953473 /nfs/dbraw/zinc/95/34/73/560953473.db2.gz XASNTLPHRAHXEH-OAHLLOKOSA-N -1 1 353.371 2.027 20 0 FEADMM CCC(O)(CC)CCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000472332185 561024546 /nfs/dbraw/zinc/02/45/46/561024546.db2.gz YYUKPIHIIDIMDG-UHFFFAOYSA-N -1 1 373.475 2.129 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C)c1ccco1 ZINC000472586622 561030044 /nfs/dbraw/zinc/03/00/44/561030044.db2.gz PQYJGHWHKHCRSG-CYBMUJFWSA-N -1 1 371.386 2.180 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000474187752 561067825 /nfs/dbraw/zinc/06/78/25/561067825.db2.gz FAJTYZOPIGZUAS-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000474336952 561071593 /nfs/dbraw/zinc/07/15/93/561071593.db2.gz MMHFGJSNNFJKQT-JKSUJKDBSA-N -1 1 353.422 2.045 20 0 FEADMM CC[C@]1(C)Oc2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2O1 ZINC000474644289 561079489 /nfs/dbraw/zinc/07/94/89/561079489.db2.gz ATDRYIJVJWUZMS-GOSISDBHSA-N -1 1 357.366 2.053 20 0 FEADMM CCOC[C@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C(C)C ZINC000474707934 561080978 /nfs/dbraw/zinc/08/09/78/561080978.db2.gz PLNGQMDDVZCMAF-AWEZNQCLSA-N -1 1 373.475 2.249 20 0 FEADMM CCc1ccc(-n2nc(C(=O)NC(C)(C)c3nn[n-]n3)c3c2CCC3)cc1 ZINC000475013559 561087699 /nfs/dbraw/zinc/08/76/99/561087699.db2.gz DWIKEFTZEDZZBF-UHFFFAOYSA-N -1 1 365.441 2.102 20 0 FEADMM Cc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)c(Sc2ccccc2)n1 ZINC000477049553 561135143 /nfs/dbraw/zinc/13/51/43/561135143.db2.gz JUSMVPXDUBRRTN-UHFFFAOYSA-N -1 1 352.423 2.473 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)N1CCCC1 ZINC000528561508 562336440 /nfs/dbraw/zinc/33/64/40/562336440.db2.gz SCOJZELFLWCZTK-UHFFFAOYSA-N -1 1 368.430 2.499 20 0 FEADMM O=C(CN1CCCS1(=O)=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538398 562377148 /nfs/dbraw/zinc/37/71/48/562377148.db2.gz BUPZJFPEXPGDPG-UHFFFAOYSA-N -1 1 354.815 2.173 20 0 FEADMM CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc(I)c([O-])c1 ZINC000529793881 562385434 /nfs/dbraw/zinc/38/54/34/562385434.db2.gz JMCCMWLXAOCVFL-OTYXRUKQSA-N -1 1 373.190 2.294 20 0 FEADMM CO[C@@]1(C(=O)[O-])CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000530172503 562401198 /nfs/dbraw/zinc/40/11/98/562401198.db2.gz YPHMJXRQLGMRQH-IBGZPJMESA-N -1 1 359.401 2.176 20 0 FEADMM COc1cc(NC(=O)CC2CCC(=O)CC2)ccc1[N-]S(C)(=O)=O ZINC000530506067 562413829 /nfs/dbraw/zinc/41/38/29/562413829.db2.gz OMPVGVQMLDPYIN-UHFFFAOYSA-N -1 1 354.428 2.155 20 0 FEADMM COCCN1CC[C@H](NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000530744372 562422549 /nfs/dbraw/zinc/42/25/49/562422549.db2.gz UUSHEZFNULYFSH-INIZCTEOSA-N -1 1 372.469 2.152 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cn1C ZINC000530995296 562431144 /nfs/dbraw/zinc/43/11/44/562431144.db2.gz KGXULUNGOJLDIK-UHFFFAOYSA-N -1 1 352.412 2.238 20 0 FEADMM O=C(NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cncc([O-])c1 ZINC000531119295 562435223 /nfs/dbraw/zinc/43/52/23/562435223.db2.gz SPORXMSKYAIOLQ-LBPRGKRZSA-N -1 1 370.327 2.267 20 0 FEADMM O=C(N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cncc([O-])c1 ZINC000531468998 562447001 /nfs/dbraw/zinc/44/70/01/562447001.db2.gz WBTXWDHGDISNPX-LBPRGKRZSA-N -1 1 365.311 2.341 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nnc(C(C)(C)C)s1 ZINC000531576095 562450475 /nfs/dbraw/zinc/45/04/75/562450475.db2.gz BXYODTPCSOUUCX-UHFFFAOYSA-N -1 1 353.473 2.292 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CNC2(C(=O)[O-])CCCC2)n[nH]1 ZINC000532881107 562491536 /nfs/dbraw/zinc/49/15/36/562491536.db2.gz HPSPQOYITLPKQF-UHFFFAOYSA-N -1 1 357.414 2.014 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)o1 ZINC000533179673 562500499 /nfs/dbraw/zinc/50/04/99/562500499.db2.gz ABZFULXSMAKFKO-KCPJHIHWSA-N -1 1 369.439 2.082 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000533253306 562502933 /nfs/dbraw/zinc/50/29/33/562502933.db2.gz ZTWGCRGOLNSMJN-ZBUHCNDUSA-N -1 1 350.531 2.118 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)c(=O)[n-]1 ZINC000533364903 562506584 /nfs/dbraw/zinc/50/65/84/562506584.db2.gz MBMASPPPZNKFPR-ZIAGYGMSSA-N -1 1 365.499 2.420 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000533635669 562515015 /nfs/dbraw/zinc/51/50/15/562515015.db2.gz GXJNIYDZCMGEFM-UHFFFAOYSA-N -1 1 372.406 2.449 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(OCCOC)c2ccccc2n1)c1nn[n-]n1 ZINC000533991988 562523057 /nfs/dbraw/zinc/52/30/57/562523057.db2.gz QNSABTGCXLPVNB-CQSZACIVSA-N -1 1 370.413 2.044 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000534317428 562531363 /nfs/dbraw/zinc/53/13/63/562531363.db2.gz CWDLYIRGAKWINF-JJLQDPRZSA-N -1 1 356.426 2.167 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)c2ccccc2)o1 ZINC000535333650 562556066 /nfs/dbraw/zinc/55/60/66/562556066.db2.gz XMUNLQRADCSUBW-GFCCVEGCSA-N -1 1 365.407 2.396 20 0 FEADMM O=C(N=c1nc(-c2c(F)cccc2F)[nH][n-]1)c1cc(-n2ccnc2)ccn1 ZINC000546156024 562634383 /nfs/dbraw/zinc/63/43/83/562634383.db2.gz MFERHGMPFRKMML-UHFFFAOYSA-N -1 1 367.319 2.583 20 0 FEADMM COc1cccc(Cl)c1CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550099827 562642497 /nfs/dbraw/zinc/64/24/97/562642497.db2.gz QKUWSXYKJWBRCU-UHFFFAOYSA-N -1 1 351.790 2.386 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]c2ncccc2N2CCOCC2)c(F)c1 ZINC000556304757 674396178 /nfs/dbraw/zinc/39/61/78/674396178.db2.gz ROSKMTDGSHOTNQ-UHFFFAOYSA-N -1 1 365.430 2.308 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)n[n-]1 ZINC000603153031 568065220 /nfs/dbraw/zinc/06/52/20/568065220.db2.gz FVSLOOUVYRURJK-IUCAKERBSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)[n-]1 ZINC000603153031 568065221 /nfs/dbraw/zinc/06/52/21/568065221.db2.gz FVSLOOUVYRURJK-IUCAKERBSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)n1 ZINC000603153031 568065222 /nfs/dbraw/zinc/06/52/22/568065222.db2.gz FVSLOOUVYRURJK-IUCAKERBSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C2CCc3ccccc3CC2)n[n-]1 ZINC000603157686 568068956 /nfs/dbraw/zinc/06/89/56/568068956.db2.gz XKEIDYFRVLBMBN-LBPRGKRZSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2CCc3ccccc3CC2)[n-]1 ZINC000603157686 568068957 /nfs/dbraw/zinc/06/89/57/568068957.db2.gz XKEIDYFRVLBMBN-LBPRGKRZSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2CCc3ccccc3CC2)n1 ZINC000603157686 568068958 /nfs/dbraw/zinc/06/89/58/568068958.db2.gz XKEIDYFRVLBMBN-LBPRGKRZSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCc2cc(F)ccc2F)n[n-]1 ZINC000603166022 568070223 /nfs/dbraw/zinc/07/02/23/568070223.db2.gz OAHHVXSGQPZSFD-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCc2cc(F)ccc2F)[n-]1 ZINC000603166022 568070224 /nfs/dbraw/zinc/07/02/24/568070224.db2.gz OAHHVXSGQPZSFD-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCc2cc(F)ccc2F)n1 ZINC000603166022 568070225 /nfs/dbraw/zinc/07/02/25/568070225.db2.gz OAHHVXSGQPZSFD-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2csc(Br)c2)n[n-]1 ZINC000603166367 568070251 /nfs/dbraw/zinc/07/02/51/568070251.db2.gz QBHDDLMIRKNMBC-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2csc(Br)c2)[n-]1 ZINC000603166367 568070252 /nfs/dbraw/zinc/07/02/52/568070252.db2.gz QBHDDLMIRKNMBC-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2csc(Br)c2)n1 ZINC000603166367 568070253 /nfs/dbraw/zinc/07/02/53/568070253.db2.gz QBHDDLMIRKNMBC-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)n[n-]1 ZINC000603167084 568070415 /nfs/dbraw/zinc/07/04/15/568070415.db2.gz UDANZIHQQZUBEG-VXGBXAGGSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)[n-]1 ZINC000603167084 568070416 /nfs/dbraw/zinc/07/04/16/568070416.db2.gz UDANZIHQQZUBEG-VXGBXAGGSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)n1 ZINC000603167084 568070417 /nfs/dbraw/zinc/07/04/17/568070417.db2.gz UDANZIHQQZUBEG-VXGBXAGGSA-N -1 1 362.455 2.481 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1c(Cl)ccc(F)c1F ZINC000672384408 568083916 /nfs/dbraw/zinc/08/39/16/568083916.db2.gz AAEKSCZYTYDAKE-JTQLQIEISA-N -1 1 350.818 2.381 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nnc(CC)o1)c1nc(C)cs1 ZINC000603370431 568092066 /nfs/dbraw/zinc/09/20/66/568092066.db2.gz MXUJLZRYPVSUMN-NSHDSACASA-N -1 1 355.441 2.405 20 0 FEADMM CO[C@@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)[C@@H]1CCOC1 ZINC000617129516 568219152 /nfs/dbraw/zinc/21/91/52/568219152.db2.gz IROUHPYLTTWYAA-BMIGLBTASA-N -1 1 350.802 2.375 20 0 FEADMM COC1CCC(N(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000604357491 568267236 /nfs/dbraw/zinc/26/72/36/568267236.db2.gz BRUGKCVZBMXAKL-UHFFFAOYSA-N -1 1 370.453 2.099 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000737347841 598843613 /nfs/dbraw/zinc/84/36/13/598843613.db2.gz RMSYCJJTGQTBBF-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000737347841 598843614 /nfs/dbraw/zinc/84/36/14/598843614.db2.gz RMSYCJJTGQTBBF-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CCC2 ZINC000737375086 598845227 /nfs/dbraw/zinc/84/52/27/598845227.db2.gz CGGWXJBKWZHSMO-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CCC2 ZINC000737375086 598845228 /nfs/dbraw/zinc/84/52/28/598845228.db2.gz CGGWXJBKWZHSMO-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(CCCOCC(F)(F)F)c2ccccc12 ZINC000738371284 598912377 /nfs/dbraw/zinc/91/23/77/598912377.db2.gz ILPCQBRCCCAWSL-UHFFFAOYSA-N -1 1 353.304 2.151 20 0 FEADMM Cc1ncc2c(n1)CCC[C@@H]2Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737501673 598970859 /nfs/dbraw/zinc/97/08/59/598970859.db2.gz SCAWIYVQKGTKFY-AWEZNQCLSA-N -1 1 359.397 2.398 20 0 FEADMM Cc1ncc2c(n1)CCC[C@@H]2Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737501673 598970861 /nfs/dbraw/zinc/97/08/61/598970861.db2.gz SCAWIYVQKGTKFY-AWEZNQCLSA-N -1 1 359.397 2.398 20 0 FEADMM Cc1ncc2c(n1)CCC[C@H]2Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737501677 598971164 /nfs/dbraw/zinc/97/11/64/598971164.db2.gz SCAWIYVQKGTKFY-CQSZACIVSA-N -1 1 359.397 2.398 20 0 FEADMM Cc1ncc2c(n1)CCC[C@H]2Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737501677 598971165 /nfs/dbraw/zinc/97/11/65/598971165.db2.gz SCAWIYVQKGTKFY-CQSZACIVSA-N -1 1 359.397 2.398 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000738382045 598976006 /nfs/dbraw/zinc/97/60/06/598976006.db2.gz JRLYTLBGAXNJFZ-CYBMUJFWSA-N -1 1 369.335 2.234 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000738382045 598976008 /nfs/dbraw/zinc/97/60/08/598976008.db2.gz JRLYTLBGAXNJFZ-CYBMUJFWSA-N -1 1 369.335 2.234 20 0 FEADMM OCC[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000738395809 598974529 /nfs/dbraw/zinc/97/45/29/598974529.db2.gz ZLJIEDFMOBHUEP-CQSZACIVSA-N -1 1 361.409 2.388 20 0 FEADMM OCC[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000738395809 598974530 /nfs/dbraw/zinc/97/45/30/598974530.db2.gz ZLJIEDFMOBHUEP-CQSZACIVSA-N -1 1 361.409 2.388 20 0 FEADMM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)O[C@H](C)C2 ZINC000736636287 598984431 /nfs/dbraw/zinc/98/44/31/598984431.db2.gz QDZLHUWZCZAKKD-SNVBAGLBSA-N -1 1 366.381 2.236 20 0 FEADMM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nn[n-]n3)nc1)O[C@H](C)C2 ZINC000736636287 598984432 /nfs/dbraw/zinc/98/44/32/598984432.db2.gz QDZLHUWZCZAKKD-SNVBAGLBSA-N -1 1 366.381 2.236 20 0 FEADMM O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738208510 598995230 /nfs/dbraw/zinc/99/52/30/598995230.db2.gz DPNCPNBRXPKVDO-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738208510 598995231 /nfs/dbraw/zinc/99/52/31/598995231.db2.gz DPNCPNBRXPKVDO-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(NCCc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089142 598996918 /nfs/dbraw/zinc/99/69/18/598996918.db2.gz USKLOJYKDZYONL-UHFFFAOYSA-N -1 1 362.315 2.253 20 0 FEADMM O=C(NCCc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089142 598996920 /nfs/dbraw/zinc/99/69/20/598996920.db2.gz USKLOJYKDZYONL-UHFFFAOYSA-N -1 1 362.315 2.253 20 0 FEADMM CC(C)C[C@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735795553 599007115 /nfs/dbraw/zinc/00/71/15/599007115.db2.gz OKNSPLZUORJLMO-CYBMUJFWSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)C[C@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735795553 599007118 /nfs/dbraw/zinc/00/71/18/599007118.db2.gz OKNSPLZUORJLMO-CYBMUJFWSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735888813 599023418 /nfs/dbraw/zinc/02/34/18/599023418.db2.gz ROWOIKSGMZBBRH-UHFFFAOYSA-N -1 1 366.385 2.044 20 0 FEADMM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735888813 599023419 /nfs/dbraw/zinc/02/34/19/599023419.db2.gz ROWOIKSGMZBBRH-UHFFFAOYSA-N -1 1 366.385 2.044 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C)c2)C2CCOCC2)n1 ZINC000556671801 674411617 /nfs/dbraw/zinc/41/16/17/674411617.db2.gz QTLXLPBBMYCJFC-OAHLLOKOSA-N -1 1 369.418 2.272 20 0 FEADMM COc1ccc([C@H](C)CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737072960 599090599 /nfs/dbraw/zinc/09/05/99/599090599.db2.gz OQTZGWXKYMNYGM-GFCCVEGCSA-N -1 1 352.398 2.194 20 0 FEADMM COc1ccc([C@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737072960 599090602 /nfs/dbraw/zinc/09/06/02/599090602.db2.gz OQTZGWXKYMNYGM-GFCCVEGCSA-N -1 1 352.398 2.194 20 0 FEADMM NC(=O)[C@@H]([NH2+]Cc1cc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736382 599096866 /nfs/dbraw/zinc/09/68/66/599096866.db2.gz IYTJUHIREZPQMS-INIZCTEOSA-N -1 1 364.434 2.398 20 0 FEADMM CC1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820596565 599342074 /nfs/dbraw/zinc/34/20/74/599342074.db2.gz RARKIHJLZWYXCK-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC000820710367 599346143 /nfs/dbraw/zinc/34/61/43/599346143.db2.gz PWTJVIVHPPCPBJ-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC000820710367 599346145 /nfs/dbraw/zinc/34/61/45/599346145.db2.gz PWTJVIVHPPCPBJ-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM Cc1ccccc1-c1cnc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)o1 ZINC000737419490 599162439 /nfs/dbraw/zinc/16/24/39/599162439.db2.gz YBOLYKCLJXRHCD-UHFFFAOYSA-N -1 1 363.381 2.052 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000676234150 597084808 /nfs/dbraw/zinc/08/48/08/597084808.db2.gz XUKCWRLQWLTOQG-ZDUSSCGKSA-N -1 1 354.834 2.022 20 0 FEADMM O=C([O-])[C@H]1CC(C(=O)Nc2ncc(C(F)(F)F)[nH]2)=NN1c1ccccc1 ZINC000819220003 597278198 /nfs/dbraw/zinc/27/81/98/597278198.db2.gz VXRXYHPBAAKERL-SNVBAGLBSA-N -1 1 367.287 2.087 20 0 FEADMM O=C([O-])[C@@H]1CC(C(=O)Nc2ncc(C(F)(F)F)[nH]2)=NN1c1ccccc1 ZINC000819220001 597278222 /nfs/dbraw/zinc/27/82/22/597278222.db2.gz VXRXYHPBAAKERL-JTQLQIEISA-N -1 1 367.287 2.087 20 0 FEADMM C[C@H]1CCN(C(=O)CC[C@H]2CCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807705839 674424663 /nfs/dbraw/zinc/42/46/63/674424663.db2.gz AQKDZLTWUOBWFX-FMSGJZPZSA-N -1 1 350.381 2.250 20 0 FEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000821640581 607327147 /nfs/dbraw/zinc/32/71/47/607327147.db2.gz LDWKXNJRYMORRE-VIFPVBQESA-N -1 1 364.818 2.345 20 0 FEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000821640581 607327148 /nfs/dbraw/zinc/32/71/48/607327148.db2.gz LDWKXNJRYMORRE-VIFPVBQESA-N -1 1 364.818 2.345 20 0 FEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737330050 598262227 /nfs/dbraw/zinc/26/22/27/598262227.db2.gz IESZNPKQLVVZEJ-INIZCTEOSA-N -1 1 370.438 2.096 20 0 FEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737330050 598262229 /nfs/dbraw/zinc/26/22/29/598262229.db2.gz IESZNPKQLVVZEJ-INIZCTEOSA-N -1 1 370.438 2.096 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000737777303 598287550 /nfs/dbraw/zinc/28/75/50/598287550.db2.gz TZLDSUQCEVJAJY-UHFFFAOYSA-N -1 1 352.185 2.225 20 0 FEADMM Ic1cccc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000737670386 598336432 /nfs/dbraw/zinc/33/64/32/598336432.db2.gz VNVDKLVJWVSURB-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM Clc1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nnn[n-]1)CC3 ZINC000737573488 598345818 /nfs/dbraw/zinc/34/58/18/598345818.db2.gz LWKBNUFQSJPIKO-UHFFFAOYSA-N -1 1 352.789 2.354 20 0 FEADMM Clc1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nn[n-]n1)CC3 ZINC000737573488 598345819 /nfs/dbraw/zinc/34/58/19/598345819.db2.gz LWKBNUFQSJPIKO-UHFFFAOYSA-N -1 1 352.789 2.354 20 0 FEADMM C[C@H]1C(=O)CC[C@H]1CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802062 674430198 /nfs/dbraw/zinc/43/01/98/674430198.db2.gz NVGVYNGJRROXQK-ONQKKCPMSA-N -1 1 362.392 2.296 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737185692 598430091 /nfs/dbraw/zinc/43/00/91/598430091.db2.gz BINLDOXNMCEQKS-VIFPVBQESA-N -1 1 356.411 2.180 20 0 FEADMM CSCC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)N(C)C ZINC000807905453 674434384 /nfs/dbraw/zinc/43/43/84/674434384.db2.gz NMMJZLOKDWROQH-NSHDSACASA-N -1 1 366.380 2.383 20 0 FEADMM CO[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000736961523 598551284 /nfs/dbraw/zinc/55/12/84/598551284.db2.gz KPOPIRBAIWLICX-LLVKDONJSA-N -1 1 374.470 2.112 20 0 FEADMM COC(=O)c1ccc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736952223 598572725 /nfs/dbraw/zinc/57/27/25/598572725.db2.gz VEBUDXFQIMCQMU-UHFFFAOYSA-N -1 1 358.789 2.356 20 0 FEADMM COC(=O)c1ccc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736952223 598572726 /nfs/dbraw/zinc/57/27/26/598572726.db2.gz VEBUDXFQIMCQMU-UHFFFAOYSA-N -1 1 358.789 2.356 20 0 FEADMM O=C(CC1CCCCC1)NCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737818686 598579796 /nfs/dbraw/zinc/57/97/96/598579796.db2.gz CYMFYYSVXYULJP-UHFFFAOYSA-N -1 1 363.853 2.414 20 0 FEADMM O=C(CC1CCCCC1)NCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737818686 598579797 /nfs/dbraw/zinc/57/97/97/598579797.db2.gz CYMFYYSVXYULJP-UHFFFAOYSA-N -1 1 363.853 2.414 20 0 FEADMM CCc1nn(CCOc2cc(C)cc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706604 598642562 /nfs/dbraw/zinc/64/25/62/598642562.db2.gz MSHINRADERJAEN-UHFFFAOYSA-N -1 1 368.441 2.244 20 0 FEADMM Cc1cccc2c1CCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737409060 598663805 /nfs/dbraw/zinc/66/38/05/598663805.db2.gz MJUDWBJNNIGRBE-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM Cn1cc(C2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)cn1 ZINC000737603279 598668248 /nfs/dbraw/zinc/66/82/48/598668248.db2.gz JEDMWLUVHBSMDN-UHFFFAOYSA-N -1 1 350.839 2.094 20 0 FEADMM Cn1cc(C2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)cn1 ZINC000737603279 598668249 /nfs/dbraw/zinc/66/82/49/598668249.db2.gz JEDMWLUVHBSMDN-UHFFFAOYSA-N -1 1 350.839 2.094 20 0 FEADMM COc1ccccc1N(C)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821898954 607364333 /nfs/dbraw/zinc/36/43/33/607364333.db2.gz UWYQSJZAPMFQAG-UHFFFAOYSA-N -1 1 356.386 2.160 20 0 FEADMM CC(C)c1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000735953311 598720845 /nfs/dbraw/zinc/72/08/45/598720845.db2.gz GRVLQJYKDXKAPX-UHFFFAOYSA-N -1 1 371.788 2.390 20 0 FEADMM Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000737420332 598757770 /nfs/dbraw/zinc/75/77/70/598757770.db2.gz IATNEDPCZDFRAQ-MRXNPFEDSA-N -1 1 372.454 2.246 20 0 FEADMM Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000737420332 598757772 /nfs/dbraw/zinc/75/77/72/598757772.db2.gz IATNEDPCZDFRAQ-MRXNPFEDSA-N -1 1 372.454 2.246 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821970722 599329690 /nfs/dbraw/zinc/32/96/90/599329690.db2.gz RHBWNSDLORCFOJ-BREBYQMCSA-N -1 1 374.470 2.482 20 0 FEADMM COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000821846334 599348656 /nfs/dbraw/zinc/34/86/56/599348656.db2.gz RAUJTBKJPHACMG-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820768395 599366535 /nfs/dbraw/zinc/36/65/35/599366535.db2.gz NFAHAGKGRBJTPZ-DTORHVGOSA-N -1 1 373.891 2.035 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000737613943 599456428 /nfs/dbraw/zinc/45/64/28/599456428.db2.gz RCXWDXKZMXFYJQ-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM Cc1ccoc1C(=O)NCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737442781 599533302 /nfs/dbraw/zinc/53/33/02/599533302.db2.gz QDULUGHJLROXRT-UHFFFAOYSA-N -1 1 361.793 2.049 20 0 FEADMM Cc1ccoc1C(=O)NCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737442781 599533304 /nfs/dbraw/zinc/53/33/04/599533304.db2.gz QDULUGHJLROXRT-UHFFFAOYSA-N -1 1 361.793 2.049 20 0 FEADMM C[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820275395 599568660 /nfs/dbraw/zinc/56/86/60/599568660.db2.gz PLTMCKURVBOUQZ-LLVKDONJSA-N -1 1 355.402 2.011 20 0 FEADMM C[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820275395 599568662 /nfs/dbraw/zinc/56/86/62/599568662.db2.gz PLTMCKURVBOUQZ-LLVKDONJSA-N -1 1 355.402 2.011 20 0 FEADMM COCCCOC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821687915 599577236 /nfs/dbraw/zinc/57/72/36/599577236.db2.gz VSKNGUJFKGWBFR-UHFFFAOYSA-N -1 1 368.441 2.437 20 0 FEADMM COCCCOC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821687915 599577239 /nfs/dbraw/zinc/57/72/39/599577239.db2.gz VSKNGUJFKGWBFR-UHFFFAOYSA-N -1 1 368.441 2.437 20 0 FEADMM COc1ccc(C[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000821790036 599591540 /nfs/dbraw/zinc/59/15/40/599591540.db2.gz FOSZGKNWAWUCRH-AWEZNQCLSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccc(C[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000821790036 599591543 /nfs/dbraw/zinc/59/15/43/599591543.db2.gz FOSZGKNWAWUCRH-AWEZNQCLSA-N -1 1 351.414 2.124 20 0 FEADMM CCOCCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000821377369 599651835 /nfs/dbraw/zinc/65/18/35/599651835.db2.gz AAOXHQSDVSDJHP-UHFFFAOYSA-N -1 1 363.443 2.444 20 0 FEADMM CCOCCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821377369 599651836 /nfs/dbraw/zinc/65/18/36/599651836.db2.gz AAOXHQSDVSDJHP-UHFFFAOYSA-N -1 1 363.443 2.444 20 0 FEADMM CN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@H]1CCCOC1 ZINC000737399262 599764120 /nfs/dbraw/zinc/76/41/20/599764120.db2.gz FLVDKNVQLWWFAE-LLVKDONJSA-N -1 1 352.456 2.232 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000738545586 599794347 /nfs/dbraw/zinc/79/43/47/599794347.db2.gz XNJGVOYQTQRQPR-UHFFFAOYSA-N -1 1 366.408 2.467 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000607103564 599826340 /nfs/dbraw/zinc/82/63/40/599826340.db2.gz GHABXNSURSXMHY-UHFFFAOYSA-N -1 1 357.771 2.310 20 0 FEADMM CC(C)(NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000736341283 599924714 /nfs/dbraw/zinc/92/47/14/599924714.db2.gz UKZKZMGAZHDKEV-UHFFFAOYSA-N -1 1 363.727 2.287 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000738516736 599969096 /nfs/dbraw/zinc/96/90/96/599969096.db2.gz ASKWMVNYIPMARS-GJZGRUSLSA-N -1 1 371.441 2.024 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c(C)c1 ZINC000737210082 600054006 /nfs/dbraw/zinc/05/40/06/600054006.db2.gz ISVRVQQBFOPPAQ-UHFFFAOYSA-N -1 1 356.425 2.278 20 0 FEADMM CC(C)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C[C@H](C)O ZINC000736678332 600135657 /nfs/dbraw/zinc/13/56/57/600135657.db2.gz UUSKQGUSOLUGRY-NSHDSACASA-N -1 1 354.472 2.355 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H](O)C(F)(F)F ZINC000632672484 677009490 /nfs/dbraw/zinc/00/94/90/677009490.db2.gz AEMXENZSMKLWOP-MHTLYPKNSA-N -1 1 368.196 2.101 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1 ZINC000035296022 600243801 /nfs/dbraw/zinc/24/38/01/600243801.db2.gz YGOAOHBQTIRIJN-UHFFFAOYSA-N -1 1 371.212 2.272 20 0 FEADMM O=C([O-])c1ccc(F)c(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000740140609 600275650 /nfs/dbraw/zinc/27/56/50/600275650.db2.gz LXTLYROSWKAHJM-UHFFFAOYSA-N -1 1 365.405 2.100 20 0 FEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736811578 600352037 /nfs/dbraw/zinc/35/20/37/600352037.db2.gz RSFBWKOVDVKMKS-KBPBESRZSA-N -1 1 364.446 2.075 20 0 FEADMM C[C@@H](CN(C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000736571308 600372791 /nfs/dbraw/zinc/37/27/91/600372791.db2.gz JTXAZXPMOVFHGP-ZDUSSCGKSA-N -1 1 356.426 2.341 20 0 FEADMM CCS(=O)(=O)N(C)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000565105411 600409032 /nfs/dbraw/zinc/40/90/32/600409032.db2.gz YTQJVFOWBJBVBT-HNNXBMFYSA-N -1 1 374.890 2.212 20 0 FEADMM O=C([O-])Cc1ccc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739880150 600463879 /nfs/dbraw/zinc/46/38/79/600463879.db2.gz VALMJXUJPVSJLQ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM O=C([O-])Cc1ccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739880150 600463882 /nfs/dbraw/zinc/46/38/82/600463882.db2.gz VALMJXUJPVSJLQ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000736863947 600561718 /nfs/dbraw/zinc/56/17/18/600561718.db2.gz RNKBUZREMSDSAZ-NJSLBKSFSA-N -1 1 363.458 2.082 20 0 FEADMM Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)cc1Cl ZINC000738608138 600684820 /nfs/dbraw/zinc/68/48/20/600684820.db2.gz CTJJPLKXRKDJIU-FZMZJTMJSA-N -1 1 350.802 2.077 20 0 FEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000829758733 600701619 /nfs/dbraw/zinc/70/16/19/600701619.db2.gz BUOHIDNFPIUINS-UHFFFAOYSA-N -1 1 360.863 2.143 20 0 FEADMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000828257368 600710947 /nfs/dbraw/zinc/71/09/47/600710947.db2.gz ANOHXDQBIOBTSM-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000829119200 600748323 /nfs/dbraw/zinc/74/83/23/600748323.db2.gz NZWXPOHOMYOVRD-AWEZNQCLSA-N -1 1 354.472 2.236 20 0 FEADMM O=C([O-])[C@H](N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1F ZINC000833165678 600754349 /nfs/dbraw/zinc/75/43/49/600754349.db2.gz BPCVEXDQZFRSEI-AUUYWEPGSA-N -1 1 372.396 2.221 20 0 FEADMM CCn1ncc2c1CCC[C@@H]2N[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000830450623 600759368 /nfs/dbraw/zinc/75/93/68/600759368.db2.gz DPBVWMAWYJOKDS-DYVFJYSZSA-N -1 1 370.453 2.273 20 0 FEADMM COc1ccc(Cl)cc1C[C@H]1CCCN(CC(=O)NCCC(=O)[O-])C1 ZINC000738014300 600796194 /nfs/dbraw/zinc/79/61/94/600796194.db2.gz RSBWBQCDBRDNRM-CYBMUJFWSA-N -1 1 368.861 2.194 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000320341387 600808311 /nfs/dbraw/zinc/80/83/11/600808311.db2.gz OKXYWWHMORRIBE-UHFFFAOYSA-N -1 1 359.747 2.086 20 0 FEADMM CCN(CCC(=O)[O-])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000829701749 600821164 /nfs/dbraw/zinc/82/11/64/600821164.db2.gz MRXOQRVQOAYCBI-UHFFFAOYSA-N -1 1 365.174 2.462 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cccnc2-n2cccn2)cc1C(=O)[O-] ZINC000326965884 600826913 /nfs/dbraw/zinc/82/69/13/600826913.db2.gz FGOUNFSUYYBIPO-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM CNC(=O)[C@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000830979500 600829745 /nfs/dbraw/zinc/82/97/45/600829745.db2.gz XTSIOLQAERSMLT-AWEZNQCLSA-N -1 1 359.451 2.466 20 0 FEADMM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)Cc1ccn[nH]1 ZINC000833248541 600962423 /nfs/dbraw/zinc/96/24/23/600962423.db2.gz QTVMEIYILFCSEF-UHFFFAOYSA-N -1 1 356.209 2.415 20 0 FEADMM C[C@@H](NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1)c1ccc(Br)cc1 ZINC000827637050 601037825 /nfs/dbraw/zinc/03/78/25/601037825.db2.gz QNETUZRJCMBLJX-QLJPJBMISA-N -1 1 369.259 2.469 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCC[C@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000833105540 601043164 /nfs/dbraw/zinc/04/31/64/601043164.db2.gz KMYUSJVRNNVWDL-ROUUACIJSA-N -1 1 374.481 2.478 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000630222204 601089139 /nfs/dbraw/zinc/08/91/39/601089139.db2.gz FCWAKAROKHUAIW-SECBINFHSA-N -1 1 361.261 2.132 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 ZINC000630224282 601096555 /nfs/dbraw/zinc/09/65/55/601096555.db2.gz MTMNAUOTCXFMEO-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H](CSc1ccccc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630223444 601096674 /nfs/dbraw/zinc/09/66/74/601096674.db2.gz JJTICPWFPCJKGJ-CABCVRRESA-N -1 1 350.484 2.422 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000827355144 601097463 /nfs/dbraw/zinc/09/74/63/601097463.db2.gz JRKOHGNOUMRRPL-DAXOMENPSA-N -1 1 350.846 2.451 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1 ZINC000827362561 601105903 /nfs/dbraw/zinc/10/59/03/601105903.db2.gz QIDYJUZJZNSHEC-LBPRGKRZSA-N -1 1 373.375 2.125 20 0 FEADMM COc1ccc(Cl)c(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832362285 601131027 /nfs/dbraw/zinc/13/10/27/601131027.db2.gz FEKVMMMGVNRTSW-NSHDSACASA-N -1 1 355.822 2.361 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)N1CCCC[C@H]1C ZINC000828259234 601218496 /nfs/dbraw/zinc/21/84/96/601218496.db2.gz WGOPEIMNWVOUKV-LMSYVIICSA-N -1 1 366.483 2.326 20 0 FEADMM CO[C@]1(C)C[C@@H](N(C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1(C)C ZINC000831526861 601429816 /nfs/dbraw/zinc/42/98/16/601429816.db2.gz PJXNAAMOIRYZRE-CSODHUTKSA-N -1 1 374.481 2.160 20 0 FEADMM Cc1nc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)sc1C(=O)[O-] ZINC000833001953 601436367 /nfs/dbraw/zinc/43/63/67/601436367.db2.gz FIAINJZCGSXBNJ-UHFFFAOYSA-N -1 1 360.399 2.142 20 0 FEADMM C[C@H]1CN(Cc2csc(CNC(=O)c3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000828462545 601510601 /nfs/dbraw/zinc/51/06/01/601510601.db2.gz KQSIPOFAOCQAGU-SWLSCSKDSA-N -1 1 359.451 2.226 20 0 FEADMM C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C(=O)[O-] ZINC000111255152 601527382 /nfs/dbraw/zinc/52/73/82/601527382.db2.gz SXUCUTBQNFOYPD-KOLCDFICSA-N -1 1 356.216 2.373 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@H](N3C[C@@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000829430542 601635573 /nfs/dbraw/zinc/63/55/73/601635573.db2.gz AUPZVSZUQCVCMS-XYPHTWIQSA-N -1 1 358.438 2.314 20 0 FEADMM Cc1ncsc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833010894 601731260 /nfs/dbraw/zinc/73/12/60/601731260.db2.gz ZWPCWWSNOWSTFZ-GOSISDBHSA-N -1 1 359.451 2.301 20 0 FEADMM Cn1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1C(=O)[O-] ZINC000833052842 601785057 /nfs/dbraw/zinc/78/50/57/601785057.db2.gz LMGWHYJZAVINDD-UHFFFAOYSA-N -1 1 371.374 2.243 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2)CC1 ZINC000830954686 601785989 /nfs/dbraw/zinc/78/59/89/601785989.db2.gz FKFMMQZSWMSIDG-IBGZPJMESA-N -1 1 373.497 2.197 20 0 FEADMM CN(CCOc1ccccc1F)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662219052 601841795 /nfs/dbraw/zinc/84/17/95/601841795.db2.gz YIXIBBVZEBARSF-UHFFFAOYSA-N -1 1 366.433 2.240 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@H](N3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000829430530 601849853 /nfs/dbraw/zinc/84/98/53/601849853.db2.gz AKALJGKBXINPDD-JXFKEZNVSA-N -1 1 358.438 2.458 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c(OC)c1 ZINC000832419630 601854565 /nfs/dbraw/zinc/85/45/65/601854565.db2.gz TYLVAZCGCWQRBM-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000547546962 601856335 /nfs/dbraw/zinc/85/63/35/601856335.db2.gz DBNQPLAORLXIJP-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000739530946 601876997 /nfs/dbraw/zinc/87/69/97/601876997.db2.gz PTTFCAPUYNLLES-HOTGVXAUSA-N -1 1 363.458 2.385 20 0 FEADMM O=C([O-])N1[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000740477990 601893200 /nfs/dbraw/zinc/89/32/00/601893200.db2.gz LTXVKDWJAVACHG-WXHSDQCUSA-N -1 1 356.386 2.116 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1CC(=O)NCc1ccccc1F ZINC000740369527 601926908 /nfs/dbraw/zinc/92/69/08/601926908.db2.gz NHFMWHUXXVDBQS-DLBZAZTESA-N -1 1 363.433 2.439 20 0 FEADMM O=C([O-])CCCOc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000833227736 602019794 /nfs/dbraw/zinc/01/97/94/602019794.db2.gz MFVSYSHIQBVZBH-OAHLLOKOSA-N -1 1 357.410 2.390 20 0 FEADMM c1csc(CCn2cnnc2SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826526020 607540005 /nfs/dbraw/zinc/54/00/05/607540005.db2.gz IHBKLNPYRBCHOP-UHFFFAOYSA-N -1 1 370.467 2.450 20 0 FEADMM c1csc(CCn2cnnc2SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826526020 607540008 /nfs/dbraw/zinc/54/00/08/607540008.db2.gz IHBKLNPYRBCHOP-UHFFFAOYSA-N -1 1 370.467 2.450 20 0 FEADMM O=C([O-])NC[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740640411 602058403 /nfs/dbraw/zinc/05/84/03/602058403.db2.gz KWBKORDGPPOWIR-GJZGRUSLSA-N -1 1 364.446 2.106 20 0 FEADMM C[C@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738914744 602096889 /nfs/dbraw/zinc/09/68/89/602096889.db2.gz FIDDJTULTOMLPF-CRAIPNDOSA-N -1 1 374.485 2.217 20 0 FEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829780059 602136199 /nfs/dbraw/zinc/13/61/99/602136199.db2.gz AYMGHVXNBQCCKF-KGLIPLIRSA-N -1 1 365.449 2.256 20 0 FEADMM C[C@H](CC(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000827293625 602153083 /nfs/dbraw/zinc/15/30/83/602153083.db2.gz ZTAKOCHLDOOVIJ-CQSZACIVSA-N -1 1 367.877 2.079 20 0 FEADMM CCOc1ccc(C[C@@H](CNC(=O)CN2CCC(C)CC2)C(=O)[O-])cc1 ZINC000830071404 602346292 /nfs/dbraw/zinc/34/62/92/602346292.db2.gz VVPZTFLMIAVKRE-KRWDZBQOSA-N -1 1 362.470 2.177 20 0 FEADMM C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738613946 602383661 /nfs/dbraw/zinc/38/36/61/602383661.db2.gz BKPCGNYBYHUCHJ-ZDUSSCGKSA-N -1 1 365.499 2.343 20 0 FEADMM C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738618066 602408304 /nfs/dbraw/zinc/40/83/04/602408304.db2.gz IGFMCWYBUCXLNM-HNNXBMFYSA-N -1 1 359.470 2.282 20 0 FEADMM CCc1ccc(C(=O)N2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000739545007 602450766 /nfs/dbraw/zinc/45/07/66/602450766.db2.gz NUXPHLPYDKSDLP-KRWDZBQOSA-N -1 1 359.470 2.397 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000739020469 602464262 /nfs/dbraw/zinc/46/42/62/602464262.db2.gz AFRIASIVYQEHEZ-ZDUSSCGKSA-N -1 1 351.422 2.152 20 0 FEADMM COc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826220980 607571761 /nfs/dbraw/zinc/57/17/61/607571761.db2.gz JHDFDAQDMHKIIR-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM COc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826220980 607571762 /nfs/dbraw/zinc/57/17/62/607571762.db2.gz JHDFDAQDMHKIIR-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739658033 602538684 /nfs/dbraw/zinc/53/86/84/602538684.db2.gz CKPVKRQGNFFFMH-GFCCVEGCSA-N -1 1 371.840 2.369 20 0 FEADMM O=S(=O)(NCc1ccc(Cl)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491927 607572382 /nfs/dbraw/zinc/57/23/82/607572382.db2.gz KGPQKBXEVNPRMF-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM O=S(=O)(NCc1ccc(Cl)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491927 607572383 /nfs/dbraw/zinc/57/23/83/607572383.db2.gz KGPQKBXEVNPRMF-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737951563 602562722 /nfs/dbraw/zinc/56/27/22/602562722.db2.gz UTATUDUHRBRIFS-INIZCTEOSA-N -1 1 366.437 2.212 20 0 FEADMM CCCN(CC(=O)N(C)Cc1cccc(OC)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353086 602579045 /nfs/dbraw/zinc/57/90/45/602579045.db2.gz YJZCLCMCKZKAAZ-MRXNPFEDSA-N -1 1 363.458 2.118 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC000824929720 607574719 /nfs/dbraw/zinc/57/47/19/607574719.db2.gz YDRXGGNYEFBLIO-CKYFFXLPSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC000824929720 607574721 /nfs/dbraw/zinc/57/47/21/607574721.db2.gz YDRXGGNYEFBLIO-CKYFFXLPSA-N -1 1 353.423 2.109 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])N2CCCC2)o1 ZINC000740116255 602600344 /nfs/dbraw/zinc/60/03/44/602600344.db2.gz BJMXTBWYIYFXDQ-GJZGRUSLSA-N -1 1 364.446 2.167 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738913827 602618313 /nfs/dbraw/zinc/61/83/13/602618313.db2.gz BALRUMUPEKXSOT-HZPDHXFCSA-N -1 1 374.485 2.075 20 0 FEADMM C[C@@H](CNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738913826 602618402 /nfs/dbraw/zinc/61/84/02/602618402.db2.gz BALRUMUPEKXSOT-HOTGVXAUSA-N -1 1 374.485 2.075 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000739605779 602698880 /nfs/dbraw/zinc/69/88/80/602698880.db2.gz COGBMVRWQAEOOE-TZMCWYRMSA-N -1 1 354.476 2.040 20 0 FEADMM CC(=O)Nc1ccc2c(CN3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)cc(=O)oc2c1 ZINC000738571440 602762986 /nfs/dbraw/zinc/76/29/86/602762986.db2.gz FEPUSJJDIDKNTN-MEDUHNTESA-N -1 1 373.409 2.229 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178946 602777857 /nfs/dbraw/zinc/77/78/57/602777857.db2.gz UERYZWOGXCSHTL-JMSVASOKSA-N -1 1 353.850 2.323 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739962063 602785699 /nfs/dbraw/zinc/78/56/99/602785699.db2.gz ULGFCADGLUJLDG-OFQRWUPVSA-N -1 1 363.458 2.193 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)NC(=O)[O-] ZINC000738789111 602792796 /nfs/dbraw/zinc/79/27/96/602792796.db2.gz RISMFHMPKGOOMS-KGLIPLIRSA-N -1 1 352.435 2.008 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@H](C)N1CCc2ccccc2C1)NC(=O)[O-] ZINC000738784405 602794821 /nfs/dbraw/zinc/79/48/21/602794821.db2.gz GQEFRUVDYRJTND-WMLDXEAASA-N -1 1 362.474 2.025 20 0 FEADMM O=C([O-])NC[C@H](C(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000832408687 602795914 /nfs/dbraw/zinc/79/59/14/602795914.db2.gz SSOBOOUPFIVHPB-HNNXBMFYSA-N -1 1 365.393 2.139 20 0 FEADMM O=C([O-])NC[C@H](C(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000832408687 602795917 /nfs/dbraw/zinc/79/59/17/602795917.db2.gz SSOBOOUPFIVHPB-HNNXBMFYSA-N -1 1 365.393 2.139 20 0 FEADMM CC(C)c1ccc(CCNC(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738884971 602798843 /nfs/dbraw/zinc/79/88/43/602798843.db2.gz YNJRTEXTNOTMGO-QAPCUYQASA-N -1 1 361.486 2.447 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738784335 602827594 /nfs/dbraw/zinc/82/75/94/602827594.db2.gz FRFHUBFOBKINPV-GJZGRUSLSA-N -1 1 366.462 2.398 20 0 FEADMM C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1 ZINC000739612121 602850392 /nfs/dbraw/zinc/85/03/92/602850392.db2.gz LRNVAQPLZPLIQF-UHFFFAOYSA-N -1 1 373.409 2.353 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c(Cl)c1 ZINC000740699712 602854079 /nfs/dbraw/zinc/85/40/79/602854079.db2.gz XITPNPVZNCRFMJ-CYBMUJFWSA-N -1 1 372.772 2.462 20 0 FEADMM CCCN(CC(=O)Nc1cc(C)nn1C(C)(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353875 602863463 /nfs/dbraw/zinc/86/34/63/602863463.db2.gz MMPOWQKWEWMAMA-CQSZACIVSA-N -1 1 365.478 2.349 20 0 FEADMM O=C([O-])N1CCCC[C@H](NC(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000740405448 602883877 /nfs/dbraw/zinc/88/38/77/602883877.db2.gz HMZLBYKTNAYAME-LSDHHAIUSA-N -1 1 364.446 2.248 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739141243 602955638 /nfs/dbraw/zinc/95/56/38/602955638.db2.gz XVORFCRRKXJLKX-DVOMOZLQSA-N -1 1 366.437 2.211 20 0 FEADMM O=C(NCC1CCS(=O)(=O)CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558757034 674514751 /nfs/dbraw/zinc/51/47/51/674514751.db2.gz XQLMIZSFIFJYHI-UHFFFAOYSA-N -1 1 368.842 2.148 20 0 FEADMM CC(C)Oc1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000824338378 607601461 /nfs/dbraw/zinc/60/14/61/607601461.db2.gz YHIHVNMVVHYIMM-UHFFFAOYSA-N -1 1 374.788 2.454 20 0 FEADMM CC(C)Oc1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000824338378 607601463 /nfs/dbraw/zinc/60/14/63/607601463.db2.gz YHIHVNMVVHYIMM-UHFFFAOYSA-N -1 1 374.788 2.454 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000826691485 603058768 /nfs/dbraw/zinc/05/87/68/603058768.db2.gz RXQJPMWTOPPJTA-WCQYABFASA-N -1 1 369.849 2.347 20 0 FEADMM COc1ccc(NCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826210419 607609723 /nfs/dbraw/zinc/60/97/23/607609723.db2.gz QUHWRBLFQPCXKA-UHFFFAOYSA-N -1 1 368.397 2.206 20 0 FEADMM COc1ccc(NCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826210419 607609725 /nfs/dbraw/zinc/60/97/25/607609725.db2.gz QUHWRBLFQPCXKA-UHFFFAOYSA-N -1 1 368.397 2.206 20 0 FEADMM C[C@H](CNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738916427 603166789 /nfs/dbraw/zinc/16/67/89/603166789.db2.gz QQYNXPCXPSZBQS-HFTRVMKXSA-N -1 1 359.470 2.376 20 0 FEADMM Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740127035 603235698 /nfs/dbraw/zinc/23/56/98/603235698.db2.gz USLVAPQFPVZLRF-HNNXBMFYSA-N -1 1 363.483 2.482 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000738558989 603256775 /nfs/dbraw/zinc/25/67/75/603256775.db2.gz DCFVNGRIYZRZLN-LSDHHAIUSA-N -1 1 364.446 2.167 20 0 FEADMM C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCNC(=O)[O-] ZINC000738630953 603257689 /nfs/dbraw/zinc/25/76/89/603257689.db2.gz UGTYUZWJEQDVTR-SNVBAGLBSA-N -1 1 358.236 2.366 20 0 FEADMM O=C([O-])N1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000739403861 603295317 /nfs/dbraw/zinc/29/53/17/603295317.db2.gz HLOXLBFNAAHBOO-CABCVRRESA-N -1 1 364.446 2.248 20 0 FEADMM CSc1n[nH]c(NC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)n1 ZINC000829783021 603531010 /nfs/dbraw/zinc/53/10/10/603531010.db2.gz FIXJIRFBEPQHQE-UHFFFAOYSA-N -1 1 374.426 2.391 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])ccc1F ZINC000828042683 603531496 /nfs/dbraw/zinc/53/14/96/603531496.db2.gz MHPDPMASOOADEL-UHFFFAOYSA-N -1 1 368.453 2.323 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)ccc1C ZINC000828761420 603544428 /nfs/dbraw/zinc/54/44/28/603544428.db2.gz SYZQGYOKQXGCHZ-UHFFFAOYSA-N -1 1 365.367 2.067 20 0 FEADMM CN(C(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000827851531 603612584 /nfs/dbraw/zinc/61/25/84/603612584.db2.gz MEPMRESNUJVLOG-GJZGRUSLSA-N -1 1 364.446 2.200 20 0 FEADMM C[C@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824844379 607647142 /nfs/dbraw/zinc/64/71/42/607647142.db2.gz WUEIZBDFDMYLBQ-NVXWUHKLSA-N -1 1 373.413 2.014 20 0 FEADMM O=C([O-])N1CC(CC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000831842297 603732118 /nfs/dbraw/zinc/73/21/18/603732118.db2.gz WEKULVXKLOGVQB-UHFFFAOYSA-N -1 1 369.425 2.178 20 0 FEADMM O=C([O-])N1CC[C@@](F)(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)C1 ZINC000831907319 603854361 /nfs/dbraw/zinc/85/43/61/603854361.db2.gz BTFIHHUMHYYFKI-DYVFJYSZSA-N -1 1 362.361 2.445 20 0 FEADMM O=C([O-])N1CC(N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1 ZINC000831641335 603923194 /nfs/dbraw/zinc/92/31/94/603923194.db2.gz SPJCGCDNVZGQGB-LBPRGKRZSA-N -1 1 350.394 2.021 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827994679 603970223 /nfs/dbraw/zinc/97/02/23/603970223.db2.gz MWJLMVZOCVSMNV-AEGPPILISA-N -1 1 353.850 2.495 20 0 FEADMM CC(C)CC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824237761 607668987 /nfs/dbraw/zinc/66/89/87/607668987.db2.gz VVDAFLRAMUMBIC-UHFFFAOYSA-N -1 1 353.423 2.110 20 0 FEADMM CC(C)CC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824237761 607668989 /nfs/dbraw/zinc/66/89/89/607668989.db2.gz VVDAFLRAMUMBIC-UHFFFAOYSA-N -1 1 353.423 2.110 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)[C@@H](C)CN(C)C(=O)[O-])N1CCCC1 ZINC000829592004 604064719 /nfs/dbraw/zinc/06/47/19/604064719.db2.gz KJOPAZCYOTWKTN-GOEBONIOSA-N -1 1 363.458 2.194 20 0 FEADMM CN(CCNC(=O)C1CCC(NC(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000828321781 604066380 /nfs/dbraw/zinc/06/63/80/604066380.db2.gz XLRVAFCKMJZCKM-UHFFFAOYSA-N -1 1 351.422 2.200 20 0 FEADMM O=C([O-])NCCOCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000832669275 604117909 /nfs/dbraw/zinc/11/79/09/604117909.db2.gz WXGVPSPCEQHKTA-UHFFFAOYSA-N -1 1 367.583 2.031 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccsc1 ZINC000827994064 604160755 /nfs/dbraw/zinc/16/07/55/604160755.db2.gz GYDYNTDMTFMPLM-ILXRZTDVSA-N -1 1 366.487 2.277 20 0 FEADMM COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc2c1OCCO2 ZINC000831995788 604466183 /nfs/dbraw/zinc/46/61/83/604466183.db2.gz PDBQOWHAKZJJBN-INIZCTEOSA-N -1 1 355.390 2.478 20 0 FEADMM O=C([O-])C[C@@H]1CN(CCC(=O)Nc2ccccc2C(F)(F)F)CCO1 ZINC000833220346 604484047 /nfs/dbraw/zinc/48/40/47/604484047.db2.gz ZSAVQENHEYSDNZ-LLVKDONJSA-N -1 1 360.332 2.210 20 0 FEADMM CC(C)(NC[C@H](O)COc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000826630359 604485074 /nfs/dbraw/zinc/48/50/74/604485074.db2.gz BRIJMBAGRARTBS-INIZCTEOSA-N -1 1 372.421 2.131 20 0 FEADMM CN1CCC2(CCCN2S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833698747 604552480 /nfs/dbraw/zinc/55/24/80/604552480.db2.gz UQMKPAPWDMDVGN-UHFFFAOYSA-N -1 1 372.874 2.287 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](CNC(=O)[O-])C3)n[nH]2)cc1 ZINC000829234788 604755537 /nfs/dbraw/zinc/75/55/37/604755537.db2.gz USKDDCAVOJNSEW-LBPRGKRZSA-N -1 1 358.398 2.205 20 0 FEADMM O=C([O-])N1CCN(C(=O)CN[C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000832024031 604773655 /nfs/dbraw/zinc/77/36/55/604773655.db2.gz DMZOPEKXYZDMHL-CYBMUJFWSA-N -1 1 369.874 2.289 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833435609 604868574 /nfs/dbraw/zinc/86/85/74/604868574.db2.gz PADQIRJDLBEHCR-SNVBAGLBSA-N -1 1 374.397 2.457 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000833551244 604946504 /nfs/dbraw/zinc/94/65/04/604946504.db2.gz QZTPBMBNDFSWJC-ZBFHGGJFSA-N -1 1 360.458 2.113 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3CN(C)C(=O)[O-])n[nH]2)cc1 ZINC000829233796 604968415 /nfs/dbraw/zinc/96/84/15/604968415.db2.gz HCCLLCZSKFYGKE-CYBMUJFWSA-N -1 1 358.398 2.300 20 0 FEADMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCN1C ZINC000833595785 605002769 /nfs/dbraw/zinc/00/27/69/605002769.db2.gz IAJYQAGRSMNIEA-MNOVXSKESA-N -1 1 360.863 2.141 20 0 FEADMM O=C([O-])[C@@H](O)C1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000833770748 605058477 /nfs/dbraw/zinc/05/84/77/605058477.db2.gz MSZYZUMHMZDPBT-INIZCTEOSA-N -1 1 369.845 2.201 20 0 FEADMM Cc1cccc(-n2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)nn2)c1 ZINC000833752189 605061556 /nfs/dbraw/zinc/06/15/56/605061556.db2.gz MYYNGPVFVRCXOL-UHFFFAOYSA-N -1 1 362.349 2.403 20 0 FEADMM CC(=O)N1CC[C@@H](N=c2nc(C)[nH]c3sc(C(=O)[O-])c(C)c32)[C@H](C)C1 ZINC000833394927 605061848 /nfs/dbraw/zinc/06/18/48/605061848.db2.gz VAQFLXMBIBLMIM-PRHODGIISA-N -1 1 362.455 2.097 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Br)c1 ZINC000833627302 605104046 /nfs/dbraw/zinc/10/40/46/605104046.db2.gz WVXXHXVVOVUNCT-LLVKDONJSA-N -1 1 355.232 2.070 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)ccc1OCC(=O)[O-] ZINC000833661679 605133753 /nfs/dbraw/zinc/13/37/53/605133753.db2.gz VCPSGQLTHDCHRC-ZIAGYGMSSA-N -1 1 364.442 2.103 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000833627531 605162261 /nfs/dbraw/zinc/16/22/61/605162261.db2.gz XPWVCFMGBIFYFV-MRXNPFEDSA-N -1 1 374.485 2.083 20 0 FEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)ccc1OC(C)C ZINC000833727243 605257524 /nfs/dbraw/zinc/25/75/24/605257524.db2.gz SUFINLLIGGRHDQ-CQSZACIVSA-N -1 1 364.442 2.103 20 0 FEADMM CCn1cc(CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c2ccccc21 ZINC000833682176 605277843 /nfs/dbraw/zinc/27/78/43/605277843.db2.gz LSYNCJSOHPXMJN-OAHLLOKOSA-N -1 1 357.454 2.211 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)CCN1CCC(=O)[O-] ZINC000833620201 605278851 /nfs/dbraw/zinc/27/88/51/605278851.db2.gz FEMNSOWBAMLZLY-HNNXBMFYSA-N -1 1 355.438 2.313 20 0 FEADMM CC(C)(C)[C@@H]1CCN([C@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833426481 605320414 /nfs/dbraw/zinc/32/04/14/605320414.db2.gz USRBDFPOUXAOGL-PWSUYJOCSA-N -1 1 350.440 2.446 20 0 FEADMM Cn1cc(-c2nc(CN3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@H]4C3)cs2)cn1 ZINC000833945171 605430726 /nfs/dbraw/zinc/43/07/26/605430726.db2.gz MTBIGSXXFFYUNK-TUKIKUTGSA-N -1 1 361.471 2.412 20 0 FEADMM CN(C)Cc1ccc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])cc1F ZINC000828046813 605440963 /nfs/dbraw/zinc/44/09/63/605440963.db2.gz RSLRKPHGSLCBOA-ZDUSSCGKSA-N -1 1 355.435 2.311 20 0 FEADMM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)c1nnc[nH]1 ZINC000833521509 605485102 /nfs/dbraw/zinc/48/51/02/605485102.db2.gz OHWFGGDDBQASGN-YFKPBYRVSA-N -1 1 372.154 2.287 20 0 FEADMM O=C([O-])N1CCC(CCN2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000834078792 605536820 /nfs/dbraw/zinc/53/68/20/605536820.db2.gz OWZFEWAOKGYIAP-UHFFFAOYSA-N -1 1 351.472 2.286 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000825825045 605549699 /nfs/dbraw/zinc/54/96/99/605549699.db2.gz XBPSIJLMVXVSQC-DOMZBBRYSA-N -1 1 366.437 2.217 20 0 FEADMM O=C([O-])Nc1cnc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cn1 ZINC000834279519 606053726 /nfs/dbraw/zinc/05/37/26/606053726.db2.gz LSTITCQTRCQKRC-GFCCVEGCSA-N -1 1 361.427 2.195 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820979374 606132613 /nfs/dbraw/zinc/13/26/13/606132613.db2.gz HEWDCHSSBKSDLX-QWRGUYRKSA-N -1 1 363.443 2.265 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820979374 606132614 /nfs/dbraw/zinc/13/26/14/606132614.db2.gz HEWDCHSSBKSDLX-QWRGUYRKSA-N -1 1 363.443 2.265 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N(C1CC1)C1CCCC1 ZINC000823396528 606133230 /nfs/dbraw/zinc/13/32/30/606133230.db2.gz KWIYPDJYSVSMJU-UHFFFAOYSA-N -1 1 361.427 2.019 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N(C1CC1)C1CCCC1 ZINC000823396528 606133231 /nfs/dbraw/zinc/13/32/31/606133231.db2.gz KWIYPDJYSVSMJU-UHFFFAOYSA-N -1 1 361.427 2.019 20 0 FEADMM Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822237303 606137940 /nfs/dbraw/zinc/13/79/40/606137940.db2.gz OAURAFJUJFJWAN-NSHDSACASA-N -1 1 371.422 2.098 20 0 FEADMM Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822237303 606137941 /nfs/dbraw/zinc/13/79/41/606137941.db2.gz OAURAFJUJFJWAN-NSHDSACASA-N -1 1 371.422 2.098 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)c2cccc(Cl)c2)n1 ZINC000822609115 606158880 /nfs/dbraw/zinc/15/88/80/606158880.db2.gz KBADHZXSFJZABF-UHFFFAOYSA-N -1 1 360.809 2.310 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)c2cccc(Cl)c2)n1 ZINC000822609115 606158882 /nfs/dbraw/zinc/15/88/82/606158882.db2.gz KBADHZXSFJZABF-UHFFFAOYSA-N -1 1 360.809 2.310 20 0 FEADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820643055 606159491 /nfs/dbraw/zinc/15/94/91/606159491.db2.gz PJHHLMIPZNKGJL-JSGCOSHPSA-N -1 1 366.429 2.085 20 0 FEADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820643055 606159494 /nfs/dbraw/zinc/15/94/94/606159494.db2.gz PJHHLMIPZNKGJL-JSGCOSHPSA-N -1 1 366.429 2.085 20 0 FEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820668104 606165336 /nfs/dbraw/zinc/16/53/36/606165336.db2.gz PKHOXZFHWUMSGB-CMPLNLGQSA-N -1 1 370.392 2.149 20 0 FEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820668104 606165338 /nfs/dbraw/zinc/16/53/38/606165338.db2.gz PKHOXZFHWUMSGB-CMPLNLGQSA-N -1 1 370.392 2.149 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000822608679 606166944 /nfs/dbraw/zinc/16/69/44/606166944.db2.gz GXYNOBLOTBGWNA-AWEZNQCLSA-N -1 1 366.429 2.087 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000822608679 606166946 /nfs/dbraw/zinc/16/69/46/606166946.db2.gz GXYNOBLOTBGWNA-AWEZNQCLSA-N -1 1 366.429 2.087 20 0 FEADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820743139 606172575 /nfs/dbraw/zinc/17/25/75/606172575.db2.gz QUFRMXJNGVXLKG-OCCSQVGLSA-N -1 1 366.429 2.258 20 0 FEADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820743139 606172577 /nfs/dbraw/zinc/17/25/77/606172577.db2.gz QUFRMXJNGVXLKG-OCCSQVGLSA-N -1 1 366.429 2.258 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(C(F)(F)F)c2F)n1 ZINC000822620449 606186641 /nfs/dbraw/zinc/18/66/41/606186641.db2.gz QXPKRXMJDZIHBI-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(C(F)(F)F)c2F)n1 ZINC000822620449 606186643 /nfs/dbraw/zinc/18/66/43/606186643.db2.gz QXPKRXMJDZIHBI-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820727583 606195310 /nfs/dbraw/zinc/19/53/10/606195310.db2.gz MTTPSEUCKBGRLR-OTYXRUKQSA-N -1 1 370.392 2.184 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820727583 606195311 /nfs/dbraw/zinc/19/53/11/606195311.db2.gz MTTPSEUCKBGRLR-OTYXRUKQSA-N -1 1 370.392 2.184 20 0 FEADMM COCCCOc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821688581 606295314 /nfs/dbraw/zinc/29/53/14/606295314.db2.gz QNPFYVKFCMAJSQ-UHFFFAOYSA-N -1 1 369.381 2.240 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(Cn2ccnc2)c1 ZINC000823294437 606298896 /nfs/dbraw/zinc/29/88/96/606298896.db2.gz AGGMFANOADJYRX-UHFFFAOYSA-N -1 1 361.365 2.069 20 0 FEADMM Cc1cc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nnc1C ZINC000810185919 674535900 /nfs/dbraw/zinc/53/59/00/674535900.db2.gz MJXOTSKQGOXNCF-LLVKDONJSA-N -1 1 359.352 2.016 20 0 FEADMM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820215577 606480621 /nfs/dbraw/zinc/48/06/21/606480621.db2.gz XAXCYJJWPRKYTA-NSHDSACASA-N -1 1 373.852 2.472 20 0 FEADMM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820215577 606480623 /nfs/dbraw/zinc/48/06/23/606480623.db2.gz XAXCYJJWPRKYTA-NSHDSACASA-N -1 1 373.852 2.472 20 0 FEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1NC(C)=O ZINC000821835493 606501523 /nfs/dbraw/zinc/50/15/23/606501523.db2.gz LRZBXBFXUBSBBO-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1NC(C)=O ZINC000821835493 606501525 /nfs/dbraw/zinc/50/15/25/606501525.db2.gz LRZBXBFXUBSBBO-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823266576 606527243 /nfs/dbraw/zinc/52/72/43/606527243.db2.gz ZFZCPWXVSUOBSH-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823266576 606527245 /nfs/dbraw/zinc/52/72/45/606527245.db2.gz ZFZCPWXVSUOBSH-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821674213 606536386 /nfs/dbraw/zinc/53/63/86/606536386.db2.gz XIDAFZDYKVNGCE-SECBINFHSA-N -1 1 372.410 2.154 20 0 FEADMM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821674213 606536388 /nfs/dbraw/zinc/53/63/88/606536388.db2.gz XIDAFZDYKVNGCE-SECBINFHSA-N -1 1 372.410 2.154 20 0 FEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nnc2n1CCCCC2 ZINC000820919304 606545271 /nfs/dbraw/zinc/54/52/71/606545271.db2.gz BIKGRLOQQHQSPN-JTQLQIEISA-N -1 1 372.458 2.127 20 0 FEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nnc2n1CCCCC2 ZINC000820919304 606545273 /nfs/dbraw/zinc/54/52/73/606545273.db2.gz BIKGRLOQQHQSPN-JTQLQIEISA-N -1 1 372.458 2.127 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nnc2ccccn21 ZINC000820027891 606545381 /nfs/dbraw/zinc/54/53/81/606545381.db2.gz VITUDJPUJUBXSM-CYBMUJFWSA-N -1 1 368.426 2.098 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nnc2ccccn21 ZINC000820027891 606545383 /nfs/dbraw/zinc/54/53/83/606545383.db2.gz VITUDJPUJUBXSM-CYBMUJFWSA-N -1 1 368.426 2.098 20 0 FEADMM O=C(Nc1c(F)cccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000823289312 606551825 /nfs/dbraw/zinc/55/18/25/606551825.db2.gz HUZBULRYKVZQCH-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Nc1c(F)cccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000823289312 606551826 /nfs/dbraw/zinc/55/18/26/606551826.db2.gz HUZBULRYKVZQCH-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Cc1noc(-c2ccc(-c3nnn[n-]3)s2)n1)Nc1ccccc1 ZINC000823118958 606620043 /nfs/dbraw/zinc/62/00/43/606620043.db2.gz XDWJYMQIQCBZCH-UHFFFAOYSA-N -1 1 353.367 2.159 20 0 FEADMM O=C(Cc1noc(-c2ccc(-c3nn[n-]n3)s2)n1)Nc1ccccc1 ZINC000823118958 606620045 /nfs/dbraw/zinc/62/00/45/606620045.db2.gz XDWJYMQIQCBZCH-UHFFFAOYSA-N -1 1 353.367 2.159 20 0 FEADMM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820937790 606646985 /nfs/dbraw/zinc/64/69/85/606646985.db2.gz DBJYRHGUPVZYNT-INIZCTEOSA-N -1 1 353.382 2.471 20 0 FEADMM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820937790 606646986 /nfs/dbraw/zinc/64/69/86/606646986.db2.gz DBJYRHGUPVZYNT-INIZCTEOSA-N -1 1 353.382 2.471 20 0 FEADMM O=C(Cc1c[nH]c2cc(F)ccc12)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823073775 606648281 /nfs/dbraw/zinc/64/82/81/606648281.db2.gz BPCWHVNLXGBJRH-UHFFFAOYSA-N -1 1 352.329 2.168 20 0 FEADMM O=C(Cc1c[nH]c2cc(F)ccc12)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823073775 606648282 /nfs/dbraw/zinc/64/82/82/606648282.db2.gz BPCWHVNLXGBJRH-UHFFFAOYSA-N -1 1 352.329 2.168 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1sccc1Br ZINC000823440410 606649516 /nfs/dbraw/zinc/64/95/16/606649516.db2.gz SACZOUJMKWAVRJ-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1sccc1Br ZINC000823440410 606649517 /nfs/dbraw/zinc/64/95/17/606649517.db2.gz SACZOUJMKWAVRJ-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM COc1ccc(SCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821845783 606652628 /nfs/dbraw/zinc/65/26/28/606652628.db2.gz JGYJHEHSTXKBAG-UHFFFAOYSA-N -1 1 357.395 2.106 20 0 FEADMM COc1ccc(SCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821845783 606652629 /nfs/dbraw/zinc/65/26/29/606652629.db2.gz JGYJHEHSTXKBAG-UHFFFAOYSA-N -1 1 357.395 2.106 20 0 FEADMM CCc1oc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1C ZINC000821563764 606764494 /nfs/dbraw/zinc/76/44/94/606764494.db2.gz DUALTXQUJKXQKL-UHFFFAOYSA-N -1 1 373.369 2.336 20 0 FEADMM COC(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000821669547 606899253 /nfs/dbraw/zinc/89/92/53/606899253.db2.gz QYIIAVWROMLHEH-UHFFFAOYSA-N -1 1 350.381 2.133 20 0 FEADMM COC(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000821669547 606899254 /nfs/dbraw/zinc/89/92/54/606899254.db2.gz QYIIAVWROMLHEH-UHFFFAOYSA-N -1 1 350.381 2.133 20 0 FEADMM CCNC(=O)c1cccc(Oc2nnc(CC)c(CC)c2-c2nnn[n-]2)c1 ZINC000821294056 606927220 /nfs/dbraw/zinc/92/72/20/606927220.db2.gz QSMVPWXJUFANIW-UHFFFAOYSA-N -1 1 367.413 2.324 20 0 FEADMM CCNC(=O)c1cccc(Oc2nnc(CC)c(CC)c2-c2nn[n-]n2)c1 ZINC000821294056 606927222 /nfs/dbraw/zinc/92/72/22/606927222.db2.gz QSMVPWXJUFANIW-UHFFFAOYSA-N -1 1 367.413 2.324 20 0 FEADMM c1ccc2[nH]c(C3CN(c4c5ccccc5nnc4-c4nnn[n-]4)C3)nc2c1 ZINC000823792563 607022569 /nfs/dbraw/zinc/02/25/69/607022569.db2.gz XRYNXMWWTVVAHL-UHFFFAOYSA-N -1 1 369.392 2.290 20 0 FEADMM c1ccc2[nH]c(C3CN(c4c5ccccc5nnc4-c4nn[n-]n4)C3)nc2c1 ZINC000823792563 607022571 /nfs/dbraw/zinc/02/25/71/607022571.db2.gz XRYNXMWWTVVAHL-UHFFFAOYSA-N -1 1 369.392 2.290 20 0 FEADMM O=C(Nc1ccc(Br)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323154 607097992 /nfs/dbraw/zinc/09/79/92/607097992.db2.gz DNQSCQYVZVHQMG-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM O=C(Nc1ccc(Br)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323154 607097995 /nfs/dbraw/zinc/09/79/95/607097995.db2.gz DNQSCQYVZVHQMG-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM COc1ccc2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c(C)nc2c1 ZINC000821854583 607106213 /nfs/dbraw/zinc/10/62/13/607106213.db2.gz OCTHLKQOODOUOQ-UHFFFAOYSA-N -1 1 367.394 2.441 20 0 FEADMM COc1ccc2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c(C)nc2c1 ZINC000821854583 607106215 /nfs/dbraw/zinc/10/62/15/607106215.db2.gz OCTHLKQOODOUOQ-UHFFFAOYSA-N -1 1 367.394 2.441 20 0 FEADMM CSC[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821962482 607144524 /nfs/dbraw/zinc/14/45/24/607144524.db2.gz QMUFHYRDOVMJSC-VIFPVBQESA-N -1 1 373.891 2.036 20 0 FEADMM CSC[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821962482 607144526 /nfs/dbraw/zinc/14/45/26/607144526.db2.gz QMUFHYRDOVMJSC-VIFPVBQESA-N -1 1 373.891 2.036 20 0 FEADMM Cc1ccc(F)c(OCC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000822240947 607239292 /nfs/dbraw/zinc/23/92/92/607239292.db2.gz GBTAIALSHDFYRY-UHFFFAOYSA-N -1 1 373.392 2.283 20 0 FEADMM Cc1ccc(F)c(OCC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000822240947 607239293 /nfs/dbraw/zinc/23/92/93/607239293.db2.gz GBTAIALSHDFYRY-UHFFFAOYSA-N -1 1 373.392 2.283 20 0 FEADMM Cc1ccccc1C[C@@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826307165 607865356 /nfs/dbraw/zinc/86/53/56/607865356.db2.gz YBROQZUZRQGQHE-CYBMUJFWSA-N -1 1 369.400 2.440 20 0 FEADMM Cc1ccccc1C[C@@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826307165 607865357 /nfs/dbraw/zinc/86/53/57/607865357.db2.gz YBROQZUZRQGQHE-CYBMUJFWSA-N -1 1 369.400 2.440 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCC1(c2ccccc2)CC1 ZINC000826418387 607865596 /nfs/dbraw/zinc/86/55/96/607865596.db2.gz DNFSNMZNWUSITQ-UHFFFAOYSA-N -1 1 367.384 2.233 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCC1(c2ccccc2)CC1 ZINC000826418387 607865597 /nfs/dbraw/zinc/86/55/97/607865597.db2.gz DNFSNMZNWUSITQ-UHFFFAOYSA-N -1 1 367.384 2.233 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826241100 607867649 /nfs/dbraw/zinc/86/76/49/607867649.db2.gz QZDCCJXBAANWKK-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826241100 607867650 /nfs/dbraw/zinc/86/76/50/607867650.db2.gz QZDCCJXBAANWKK-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC000826364458 607895719 /nfs/dbraw/zinc/89/57/19/607895719.db2.gz XBSRQPOSDPAYPS-OAHLLOKOSA-N -1 1 350.361 2.336 20 0 FEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000826364458 607895720 /nfs/dbraw/zinc/89/57/20/607895720.db2.gz XBSRQPOSDPAYPS-OAHLLOKOSA-N -1 1 350.361 2.336 20 0 FEADMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949102 607902910 /nfs/dbraw/zinc/90/29/10/607902910.db2.gz WUJZAIRZFQUSJD-TZMCWYRMSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949102 607902911 /nfs/dbraw/zinc/90/29/11/607902911.db2.gz WUJZAIRZFQUSJD-TZMCWYRMSA-N -1 1 373.461 2.391 20 0 FEADMM CC(C)CSCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824276045 607907403 /nfs/dbraw/zinc/90/74/03/607907403.db2.gz XUPRELPLRZAMRM-UHFFFAOYSA-N -1 1 373.479 2.063 20 0 FEADMM CC(C)CSCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824276045 607907404 /nfs/dbraw/zinc/90/74/04/607907404.db2.gz XUPRELPLRZAMRM-UHFFFAOYSA-N -1 1 373.479 2.063 20 0 FEADMM CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000824030151 607911872 /nfs/dbraw/zinc/91/18/72/607911872.db2.gz WUJDCSREJCXQHO-UHFFFAOYSA-N -1 1 367.434 2.372 20 0 FEADMM CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000824030151 607911873 /nfs/dbraw/zinc/91/18/73/607911873.db2.gz WUJDCSREJCXQHO-UHFFFAOYSA-N -1 1 367.434 2.372 20 0 FEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825833593 607934204 /nfs/dbraw/zinc/93/42/04/607934204.db2.gz IVFWHUCBFJVVLY-CYBMUJFWSA-N -1 1 371.832 2.027 20 0 FEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825833593 607934205 /nfs/dbraw/zinc/93/42/05/607934205.db2.gz IVFWHUCBFJVVLY-CYBMUJFWSA-N -1 1 371.832 2.027 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(C2CCCCC2)[nH]n1 ZINC000826467064 607979861 /nfs/dbraw/zinc/97/98/61/607979861.db2.gz FZQPOISWURTABT-UHFFFAOYSA-N -1 1 353.386 2.390 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(C2CCCCC2)[nH]n1 ZINC000826467064 607979862 /nfs/dbraw/zinc/97/98/62/607979862.db2.gz FZQPOISWURTABT-UHFFFAOYSA-N -1 1 353.386 2.390 20 0 FEADMM Cc1nn(Cc2csc(-c3cccs3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334958 608079573 /nfs/dbraw/zinc/07/95/73/608079573.db2.gz QXMVNYYHGYYJJN-UHFFFAOYSA-N -1 1 371.451 2.274 20 0 FEADMM O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)c([O-])c1 ZINC000153704438 608115248 /nfs/dbraw/zinc/11/52/48/608115248.db2.gz RJSPUTPRRWPHNW-UHFFFAOYSA-N -1 1 374.198 2.265 20 0 FEADMM O=C1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CN1Cc1ccccc1 ZINC000826481055 608147656 /nfs/dbraw/zinc/14/76/56/608147656.db2.gz DTBXULCHOASUNL-UHFFFAOYSA-N -1 1 371.404 2.221 20 0 FEADMM O=C1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CN1Cc1ccccc1 ZINC000826481055 608147657 /nfs/dbraw/zinc/14/76/57/608147657.db2.gz DTBXULCHOASUNL-UHFFFAOYSA-N -1 1 371.404 2.221 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC12CCCCC2 ZINC000826232700 608164358 /nfs/dbraw/zinc/16/43/58/608164358.db2.gz DPSMRBKXVZQNHK-CQSZACIVSA-N -1 1 370.457 2.356 20 0 FEADMM FC(F)Oc1ccc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC000826369376 608235419 /nfs/dbraw/zinc/23/54/19/608235419.db2.gz ACIFIIMJUZLLIR-AWEZNQCLSA-N -1 1 374.351 2.441 20 0 FEADMM FC(F)Oc1ccc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC000826369376 608235421 /nfs/dbraw/zinc/23/54/21/608235421.db2.gz ACIFIIMJUZLLIR-AWEZNQCLSA-N -1 1 374.351 2.441 20 0 FEADMM Cc1cccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccn2)c1 ZINC000826296529 608246169 /nfs/dbraw/zinc/24/61/69/608246169.db2.gz AHNGAWNZCZFXGN-GOSISDBHSA-N -1 1 371.404 2.485 20 0 FEADMM Cc1cccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccn2)c1 ZINC000826296529 608246170 /nfs/dbraw/zinc/24/61/70/608246170.db2.gz AHNGAWNZCZFXGN-GOSISDBHSA-N -1 1 371.404 2.485 20 0 FEADMM Cc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826293825 608294650 /nfs/dbraw/zinc/29/46/50/608294650.db2.gz CCLDQWSDYMDINQ-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM Cc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826293825 608294652 /nfs/dbraw/zinc/29/46/52/608294652.db2.gz CCLDQWSDYMDINQ-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM CC(C)(C)c1cc(NC(=O)COC2CCOCC2)c(-c2nnn[n-]2)s1 ZINC000824130568 608348955 /nfs/dbraw/zinc/34/89/55/608348955.db2.gz MXJDBZMCFMOUPP-UHFFFAOYSA-N -1 1 365.459 2.360 20 0 FEADMM CC(C)(C)c1cc(NC(=O)COC2CCOCC2)c(-c2nn[n-]n2)s1 ZINC000824130568 608348957 /nfs/dbraw/zinc/34/89/57/608348957.db2.gz MXJDBZMCFMOUPP-UHFFFAOYSA-N -1 1 365.459 2.360 20 0 FEADMM CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)s1 ZINC000824130451 608349295 /nfs/dbraw/zinc/34/92/95/608349295.db2.gz KICVCHSISCNMHS-VIFPVBQESA-N -1 1 374.470 2.175 20 0 FEADMM CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)s1 ZINC000824130451 608349297 /nfs/dbraw/zinc/34/92/97/608349297.db2.gz KICVCHSISCNMHS-VIFPVBQESA-N -1 1 374.470 2.175 20 0 FEADMM Clc1ccc(-c2nc(Sc3ccc(-c4nn[n-]n4)nn3)n[nH]2)cc1 ZINC000826351727 608395233 /nfs/dbraw/zinc/39/52/33/608395233.db2.gz XYLFMVRRHDVHKF-UHFFFAOYSA-N -1 1 357.790 2.246 20 0 FEADMM O=C(Nc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1)C1CCC1 ZINC000826456371 608395884 /nfs/dbraw/zinc/39/58/84/608395884.db2.gz ADFOAQHMXLONIL-UHFFFAOYSA-N -1 1 350.386 2.007 20 0 FEADMM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1)C1CCC1 ZINC000826456371 608395885 /nfs/dbraw/zinc/39/58/85/608395885.db2.gz ADFOAQHMXLONIL-UHFFFAOYSA-N -1 1 350.386 2.007 20 0 FEADMM c1ccc2c(c1)sc1nnc(Sc3ccc(-c4nnn[n-]4)nn3)n21 ZINC000826524311 608395956 /nfs/dbraw/zinc/39/59/56/608395956.db2.gz QDHQOZVCKISTRC-UHFFFAOYSA-N -1 1 353.396 2.065 20 0 FEADMM c1ccc2c(c1)sc1nnc(Sc3ccc(-c4nn[n-]n4)nn3)n21 ZINC000826524311 608395958 /nfs/dbraw/zinc/39/59/58/608395958.db2.gz QDHQOZVCKISTRC-UHFFFAOYSA-N -1 1 353.396 2.065 20 0 FEADMM CN(Cc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825953771 608406362 /nfs/dbraw/zinc/40/63/62/608406362.db2.gz PMGKQQROEQPFBA-UHFFFAOYSA-N -1 1 364.182 2.195 20 0 FEADMM CN(Cc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825953771 608406364 /nfs/dbraw/zinc/40/63/64/608406364.db2.gz PMGKQQROEQPFBA-UHFFFAOYSA-N -1 1 364.182 2.195 20 0 FEADMM CC(C)OC(=O)NCc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824309296 608418742 /nfs/dbraw/zinc/41/87/42/608418742.db2.gz JUQMKRBVAQBNJE-UHFFFAOYSA-N -1 1 354.374 2.035 20 0 FEADMM CC(C)OC(=O)NCc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824309296 608418743 /nfs/dbraw/zinc/41/87/43/608418743.db2.gz JUQMKRBVAQBNJE-UHFFFAOYSA-N -1 1 354.374 2.035 20 0 FEADMM Cc1cc(Nc2ccc(-c3nnn[n-]3)nn2)ccc1OC1CCOCC1 ZINC000826271175 608421842 /nfs/dbraw/zinc/42/18/42/608421842.db2.gz GOHRMBDLHFVSEC-UHFFFAOYSA-N -1 1 353.386 2.267 20 0 FEADMM Cc1cc(Nc2ccc(-c3nn[n-]n3)nn2)ccc1OC1CCOCC1 ZINC000826271175 608421844 /nfs/dbraw/zinc/42/18/44/608421844.db2.gz GOHRMBDLHFVSEC-UHFFFAOYSA-N -1 1 353.386 2.267 20 0 FEADMM Brc1cc2c(s1)CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000823827124 608435326 /nfs/dbraw/zinc/43/53/26/608435326.db2.gz UWSQHUBUWZKONG-UHFFFAOYSA-N -1 1 364.232 2.043 20 0 FEADMM Brc1cc2c(s1)CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000823827124 608435328 /nfs/dbraw/zinc/43/53/28/608435328.db2.gz UWSQHUBUWZKONG-UHFFFAOYSA-N -1 1 364.232 2.043 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337659 608438715 /nfs/dbraw/zinc/43/87/15/608438715.db2.gz WDIGNAPQQLDWNR-ONGXEEELSA-N -1 1 357.447 2.459 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337659 608438716 /nfs/dbraw/zinc/43/87/16/608438716.db2.gz WDIGNAPQQLDWNR-ONGXEEELSA-N -1 1 357.447 2.459 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337657 608439050 /nfs/dbraw/zinc/43/90/50/608439050.db2.gz WDIGNAPQQLDWNR-KOLCDFICSA-N -1 1 357.447 2.459 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337657 608439051 /nfs/dbraw/zinc/43/90/51/608439051.db2.gz WDIGNAPQQLDWNR-KOLCDFICSA-N -1 1 357.447 2.459 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1csc(N2CCCC2)n1 ZINC000826280954 608546117 /nfs/dbraw/zinc/54/61/17/608546117.db2.gz XITSKPXTDXVGIQ-UHFFFAOYSA-N -1 1 356.459 2.281 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000826501608 608585143 /nfs/dbraw/zinc/58/51/43/608585143.db2.gz YOUXVOADIDFBBX-UHFFFAOYSA-N -1 1 373.800 2.086 20 0 FEADMM Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)s1 ZINC000826282012 608620591 /nfs/dbraw/zinc/62/05/91/608620591.db2.gz UEXNJEWSMCISRX-UHFFFAOYSA-N -1 1 374.495 2.256 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000826424830 608893045 /nfs/dbraw/zinc/89/30/45/608893045.db2.gz FIEAIJYYAPKJNY-INIZCTEOSA-N -1 1 369.404 2.250 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000826424830 608893047 /nfs/dbraw/zinc/89/30/47/608893047.db2.gz FIEAIJYYAPKJNY-INIZCTEOSA-N -1 1 369.404 2.250 20 0 FEADMM CS[C@H](C)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826225148 609292295 /nfs/dbraw/zinc/29/22/95/609292295.db2.gz UUVASADCOCTBHG-SECBINFHSA-N -1 1 361.406 2.272 20 0 FEADMM COc1ccc2ccccc2c1-c1cc(Cn2cnc(-c3nn[n-]n3)n2)on1 ZINC000826213891 609307076 /nfs/dbraw/zinc/30/70/76/609307076.db2.gz QGHPWSKIPJLSTR-UHFFFAOYSA-N -1 1 374.364 2.323 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](F)Cc2ccccc2)n1 ZINC000824148543 609325428 /nfs/dbraw/zinc/32/54/28/609325428.db2.gz ZHBHTHWQDYFAKB-ZDUSSCGKSA-N -1 1 357.393 2.338 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](F)Cc2ccccc2)n1 ZINC000824148543 609325430 /nfs/dbraw/zinc/32/54/30/609325430.db2.gz ZHBHTHWQDYFAKB-ZDUSSCGKSA-N -1 1 357.393 2.338 20 0 FEADMM CC(C)C1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824224226 609359841 /nfs/dbraw/zinc/35/98/41/609359841.db2.gz NSKBBSVSSSEXNC-UHFFFAOYSA-N -1 1 370.392 2.311 20 0 FEADMM CC[C@H]1C[C@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825182583 609392417 /nfs/dbraw/zinc/39/24/17/609392417.db2.gz LCQPCZJJSGRBBC-NEPJUHHUSA-N -1 1 361.450 2.352 20 0 FEADMM CC[C@H]1C[C@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825182583 609392419 /nfs/dbraw/zinc/39/24/19/609392419.db2.gz LCQPCZJJSGRBBC-NEPJUHHUSA-N -1 1 361.450 2.352 20 0 FEADMM FC(F)(F)c1ccn(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC000826369161 609430360 /nfs/dbraw/zinc/43/03/60/609430360.db2.gz PRDUTSNKJCSKSH-UHFFFAOYSA-N -1 1 364.335 2.319 20 0 FEADMM FC(F)(F)c1ccn(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000826369161 609430361 /nfs/dbraw/zinc/43/03/61/609430361.db2.gz PRDUTSNKJCSKSH-UHFFFAOYSA-N -1 1 364.335 2.319 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCCc3cc(F)ccc32)c1-c1nnn[n-]1 ZINC000826346782 609469603 /nfs/dbraw/zinc/46/96/03/609469603.db2.gz VVNHVKAUGAHHFK-CYBMUJFWSA-N -1 1 356.361 2.039 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCCc3cc(F)ccc32)c1-c1nn[n-]n1 ZINC000826346782 609469605 /nfs/dbraw/zinc/46/96/05/609469605.db2.gz VVNHVKAUGAHHFK-CYBMUJFWSA-N -1 1 356.361 2.039 20 0 FEADMM Cc1onc(CC(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)c1-c1nnn[n-]1 ZINC000826343730 609470456 /nfs/dbraw/zinc/47/04/56/609470456.db2.gz LHQCAIWSKCNERU-ZJUUUORDSA-N -1 1 370.388 2.379 20 0 FEADMM Cc1onc(CC(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)c1-c1nn[n-]n1 ZINC000826343730 609470457 /nfs/dbraw/zinc/47/04/57/609470457.db2.gz LHQCAIWSKCNERU-ZJUUUORDSA-N -1 1 370.388 2.379 20 0 FEADMM CCOC(=O)COc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000825518246 609473900 /nfs/dbraw/zinc/47/39/00/609473900.db2.gz WKXRCWQJHDHILX-UHFFFAOYSA-N -1 1 359.411 2.482 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC([C@H]2CCOC2)CC1 ZINC000826522759 609592205 /nfs/dbraw/zinc/59/22/05/609592205.db2.gz MWQQGTPEUHRTAG-ZDUSSCGKSA-N -1 1 351.414 2.063 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC([C@H]2CCOC2)CC1 ZINC000826522759 609592206 /nfs/dbraw/zinc/59/22/06/609592206.db2.gz MWQQGTPEUHRTAG-ZDUSSCGKSA-N -1 1 351.414 2.063 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](COc2ccccc2)C1 ZINC000826472614 609605484 /nfs/dbraw/zinc/60/54/84/609605484.db2.gz QBIKXNLLUSZBTN-LBPRGKRZSA-N -1 1 355.423 2.469 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](COc2ccccc2)C1 ZINC000826472614 609605486 /nfs/dbraw/zinc/60/54/86/609605486.db2.gz QBIKXNLLUSZBTN-LBPRGKRZSA-N -1 1 355.423 2.469 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(F)c1 ZINC000810715976 674558669 /nfs/dbraw/zinc/55/86/69/674558669.db2.gz DMHDPUBTIDSNOX-QGZVFWFLSA-N -1 1 374.453 2.293 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c(F)c1 ZINC000560013754 674563642 /nfs/dbraw/zinc/56/36/42/674563642.db2.gz YNLUOVWZHDKJAY-UHFFFAOYSA-N -1 1 368.361 2.060 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C)on1)c1cccc(C)c1C ZINC000560063800 674566335 /nfs/dbraw/zinc/56/63/35/674566335.db2.gz OPPRCSSZMMXUPR-INIZCTEOSA-N -1 1 366.439 2.324 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810880019 674566385 /nfs/dbraw/zinc/56/63/85/674566385.db2.gz QEBGATGBSIZDAC-QGZVFWFLSA-N -1 1 356.463 2.154 20 0 FEADMM Cc1ncsc1/C=C/C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810901037 674567536 /nfs/dbraw/zinc/56/75/36/674567536.db2.gz MZGHHRHHUMWKCK-ZWNMCFTASA-N -1 1 361.389 2.382 20 0 FEADMM O=C([N-]C[C@H]1CCCN(c2nc3ccccc3c(=O)[nH]2)C1)C(F)(F)F ZINC000811856838 674633738 /nfs/dbraw/zinc/63/37/38/674633738.db2.gz VANMWCNNNMFRBO-SNVBAGLBSA-N -1 1 354.332 2.230 20 0 FEADMM CCc1cccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000812276312 674661145 /nfs/dbraw/zinc/66/11/45/674661145.db2.gz KKPJRYRRUDJDCA-NSHDSACASA-N -1 1 358.360 2.485 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(F)(F)c2ccccc2F)c1 ZINC000812362108 674670228 /nfs/dbraw/zinc/67/02/28/674670228.db2.gz PYWLOTXFYUUEKU-UHFFFAOYSA-N -1 1 374.340 2.170 20 0 FEADMM C[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(F)c(Br)c1 ZINC000812611324 674687710 /nfs/dbraw/zinc/68/77/10/674687710.db2.gz NPJVTPWLTNEZGU-QMMMGPOBSA-N -1 1 372.194 2.247 20 0 FEADMM O=S(=O)(CCc1cscn1)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000562563873 674770791 /nfs/dbraw/zinc/77/07/91/674770791.db2.gz OLHDMOAPSXLFJJ-UHFFFAOYSA-N -1 1 360.464 2.433 20 0 FEADMM O=S(=O)(CCc1cscn1)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000562563873 674770793 /nfs/dbraw/zinc/77/07/93/674770793.db2.gz OLHDMOAPSXLFJJ-UHFFFAOYSA-N -1 1 360.464 2.433 20 0 FEADMM Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCO1 ZINC000562733107 674797504 /nfs/dbraw/zinc/79/75/04/674797504.db2.gz NWTVXZYAOSLWSX-BXUZGUMPSA-N -1 1 373.837 2.411 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)[C@H]1n1cccn1 ZINC000562733892 674798081 /nfs/dbraw/zinc/79/80/81/674798081.db2.gz ZSYPYYAUGKZFJN-QJPTWQEYSA-N -1 1 361.876 2.295 20 0 FEADMM CCC(Nc1ccc(CC)cc1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814345119 674832754 /nfs/dbraw/zinc/83/27/54/674832754.db2.gz DHHUARNZFKDPST-CCEZHUSRSA-N -1 1 361.467 2.215 20 0 FEADMM Cc1ncsc1CC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645746729 677270472 /nfs/dbraw/zinc/27/04/72/677270472.db2.gz YCXOHVNWHVZQIB-UHFFFAOYSA-N -1 1 351.375 2.386 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)CCCC(C)(C)C)(C(=O)OC)C1(C)C ZINC000563776401 674937843 /nfs/dbraw/zinc/93/78/43/674937843.db2.gz CWCTUNHHFGGLRB-GUYCJALGSA-N -1 1 363.520 2.479 20 0 FEADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000564371781 675003950 /nfs/dbraw/zinc/00/39/50/675003950.db2.gz QXKDXCXKYGHBHT-ONEGZZNKSA-N -1 1 366.464 2.429 20 0 FEADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000564371779 675004018 /nfs/dbraw/zinc/00/40/18/675004018.db2.gz QXKDXCXKYGHBHT-ARJAWSKDSA-N -1 1 366.464 2.429 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000006641814 669960757 /nfs/dbraw/zinc/96/07/57/669960757.db2.gz OIGAIIVNTIIDJI-UHFFFAOYSA-N -1 1 361.781 2.391 20 0 FEADMM CC(Nc1ccc2cn[nH]c2c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009772594 669984758 /nfs/dbraw/zinc/98/47/58/669984758.db2.gz LNDZOZMSKOOCEO-UVTDQMKNSA-N -1 1 357.439 2.148 20 0 FEADMM COc1cc(OC)cc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000010623143 669989056 /nfs/dbraw/zinc/98/90/56/669989056.db2.gz TUMSDDVRBDQTDZ-UHFFFAOYSA-N -1 1 350.758 2.138 20 0 FEADMM COC(=O)NCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000816590633 675066895 /nfs/dbraw/zinc/06/68/95/675066895.db2.gz HEMNFEXUCNACFG-UHFFFAOYSA-N -1 1 351.584 2.493 20 0 FEADMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000018707240 670027660 /nfs/dbraw/zinc/02/76/60/670027660.db2.gz IIMYBEKTTBTJPG-UHFFFAOYSA-N -1 1 352.328 2.194 20 0 FEADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024254578 670053481 /nfs/dbraw/zinc/05/34/81/670053481.db2.gz RNSFHHNHAHHUJB-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)cc1 ZINC000028020327 670084770 /nfs/dbraw/zinc/08/47/70/670084770.db2.gz IISGHNSYYZFZCL-UHFFFAOYSA-N -1 1 357.395 2.027 20 0 FEADMM COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1[N-]S(C)(=O)=O ZINC000029817489 670103755 /nfs/dbraw/zinc/10/37/55/670103755.db2.gz BSJRBNUPTQZYMM-UHFFFAOYSA-N -1 1 355.803 2.367 20 0 FEADMM CCOc1ccc(S(=O)(=O)N[N-]C(=O)c2ccccc2F)cc1C ZINC000032586596 670130224 /nfs/dbraw/zinc/13/02/24/670130224.db2.gz APHPAKYPOHHRGE-UHFFFAOYSA-N -1 1 352.387 2.156 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nn2cnc3ccccc32)o1 ZINC000032942353 670133313 /nfs/dbraw/zinc/13/33/13/670133313.db2.gz UBYRVOXNBIFCHU-UHFFFAOYSA-N -1 1 362.411 2.090 20 0 FEADMM O=C([O-])[C@H]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)O1 ZINC000564954589 675081525 /nfs/dbraw/zinc/08/15/25/675081525.db2.gz PDQVQDJPWPBHSA-JKSUJKDBSA-N -1 1 366.845 2.053 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccccc2Br)o1 ZINC000042263883 670160596 /nfs/dbraw/zinc/16/05/96/670160596.db2.gz VWDYZLDBRWVBDM-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)N1CCN(C)CC1 ZINC000816939193 675088524 /nfs/dbraw/zinc/08/85/24/675088524.db2.gz WHNOEOUMVCSPJW-OAHLLOKOSA-N -1 1 362.499 2.118 20 0 FEADMM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000046315022 670220690 /nfs/dbraw/zinc/22/06/90/670220690.db2.gz AYRTXBVYYYIEFW-LLVKDONJSA-N -1 1 365.407 2.178 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000047251096 670237280 /nfs/dbraw/zinc/23/72/80/670237280.db2.gz VVGNKSYGJOKNJU-UHFFFAOYSA-N -1 1 362.407 2.354 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccnc1 ZINC000048101199 670257831 /nfs/dbraw/zinc/25/78/31/670257831.db2.gz CZSVDZZHOWZJFL-LLVKDONJSA-N -1 1 351.428 2.242 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)N[C@@H](C)CC ZINC000052171925 670309969 /nfs/dbraw/zinc/30/99/69/670309969.db2.gz JSINKACXZCNBOS-STQMWFEESA-N -1 1 370.471 2.298 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000565111944 675095330 /nfs/dbraw/zinc/09/53/30/675095330.db2.gz ODRVMVDIHWDNFZ-QGZVFWFLSA-N -1 1 364.833 2.234 20 0 FEADMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000053466845 670323724 /nfs/dbraw/zinc/32/37/24/670323724.db2.gz BJUKOQHEYAOWCW-UHFFFAOYSA-N -1 1 367.383 2.008 20 0 FEADMM O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1F ZINC000053626024 670325578 /nfs/dbraw/zinc/32/55/78/670325578.db2.gz WBRTZFFZPXFOMV-UHFFFAOYSA-N -1 1 350.733 2.325 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1Cl ZINC000056137675 670360453 /nfs/dbraw/zinc/36/04/53/670360453.db2.gz IQXAYJDCSFICET-STQMWFEESA-N -1 1 373.837 2.411 20 0 FEADMM COC(=O)CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245056 670421671 /nfs/dbraw/zinc/42/16/71/670421671.db2.gz WEEQLAFYDJVHGU-UHFFFAOYSA-N -1 1 350.418 2.058 20 0 FEADMM 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C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121610268 671953688 /nfs/dbraw/zinc/95/36/88/671953688.db2.gz IWHAZWBZJYBDDD-SECBINFHSA-N -1 1 364.199 2.307 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F)CC(C)C ZINC000610265268 675962771 /nfs/dbraw/zinc/96/27/71/675962771.db2.gz FJVDIUBKOBZGRL-SNVBAGLBSA-N -1 1 365.398 2.087 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)cc(Cl)c1[O-] ZINC000582285367 671985423 /nfs/dbraw/zinc/98/54/23/671985423.db2.gz RAHSQQRCHIKZAQ-YPMHNXCESA-N -1 1 352.818 2.328 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC000582524016 672009347 /nfs/dbraw/zinc/00/93/47/672009347.db2.gz PFDWCQMFECGSSZ-UHFFFAOYSA-N -1 1 366.361 2.412 20 0 FEADMM CCc1nc(S[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)[n-]c(=O)c1C ZINC000582557857 672013335 /nfs/dbraw/zinc/01/33/35/672013335.db2.gz VUKZRSLWHFWOCJ-GXTWGEPZSA-N -1 1 353.488 2.465 20 0 FEADMM C[C@@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1cccc(Br)c1 ZINC000582759288 672031208 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COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(OC)cc2F)cc1C ZINC000595317324 673222719 /nfs/dbraw/zinc/22/27/19/673222719.db2.gz GPWNWFYNUYPOGV-UHFFFAOYSA-N -1 1 357.359 2.001 20 0 FEADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c(O)c1 ZINC000443562520 673224311 /nfs/dbraw/zinc/22/43/11/673224311.db2.gz VYTYPAOSMWLLMG-UHFFFAOYSA-N -1 1 368.411 2.323 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)cc1C ZINC000595324407 673224661 /nfs/dbraw/zinc/22/46/61/673224661.db2.gz FCNHXFXHMSKKLC-CYBMUJFWSA-N -1 1 365.407 2.485 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)cc1C ZINC000595339232 673227381 /nfs/dbraw/zinc/22/73/81/673227381.db2.gz OKWQWWGGARBCIK-UHFFFAOYSA-N -1 1 356.400 2.193 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)cc1C ZINC000595343075 673228235 /nfs/dbraw/zinc/22/82/35/673228235.db2.gz WBVCZGXJTGGMME-LBPRGKRZSA-N -1 1 357.428 2.145 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000462715583 673278330 /nfs/dbraw/zinc/27/83/30/673278330.db2.gz VPTBYYVHODGEMT-GFCCVEGCSA-N -1 1 355.362 2.200 20 0 FEADMM O=C(CSc1nc2ccccc2[nH]1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509277053 673342783 /nfs/dbraw/zinc/34/27/83/673342783.db2.gz QYIMWFXJPUYCSW-UHFFFAOYSA-N -1 1 359.411 2.150 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCC(=O)NC2CCCCC2)c(=O)[n-]1 ZINC000732036309 673351611 /nfs/dbraw/zinc/35/16/11/673351611.db2.gz WDRXYBWSVAXSIT-UHFFFAOYSA-N -1 1 367.471 2.137 20 0 FEADMM CO[C@@H]1CC[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000613554195 676133657 /nfs/dbraw/zinc/13/36/57/676133657.db2.gz GADFJKGOVXJEEZ-CWSCBRNRSA-N -1 1 353.785 2.013 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccc(C)c(C)c1 ZINC000613573218 676135043 /nfs/dbraw/zinc/13/50/43/676135043.db2.gz JIEPOJVHQNAFJS-HNNXBMFYSA-N -1 1 365.455 2.343 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1cc(=O)n(C)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000613583099 676135260 /nfs/dbraw/zinc/13/52/60/676135260.db2.gz NZAMMLVGTLCSCT-ZDUSSCGKSA-N -1 1 356.348 2.177 20 0 FEADMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732836374 673386080 /nfs/dbraw/zinc/38/60/80/673386080.db2.gz VWEOOKUQCRWFOY-VIFPVBQESA-N -1 1 350.724 2.281 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCC(C)(C)F)CC2)n1 ZINC000596805449 673415386 /nfs/dbraw/zinc/41/53/86/673415386.db2.gz LYAVQWQTLFVBDW-UHFFFAOYSA-N -1 1 355.414 2.009 20 0 FEADMM Cc1ccn2cc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)nc2c1 ZINC000538048985 673420147 /nfs/dbraw/zinc/42/01/47/673420147.db2.gz GQQNWWZYTKOFJR-UHFFFAOYSA-N -1 1 362.386 2.406 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)Nc2cc(NC(C)=O)ccc2F)c1 ZINC000538298231 673432661 /nfs/dbraw/zinc/43/26/61/673432661.db2.gz KAFXNXRDDIFMIT-UHFFFAOYSA-N -1 1 354.359 2.299 20 0 FEADMM CCC1(CC)CN(C(=O)c2ncc3ccccc3c2[O-])CCS1(=O)=O ZINC000613714636 676143239 /nfs/dbraw/zinc/14/32/39/676143239.db2.gz PMRMNQUTYQWNGS-UHFFFAOYSA-N -1 1 362.451 2.370 20 0 FEADMM Cc1nc(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)[n-]c(=O)c1C ZINC000539615486 673498658 /nfs/dbraw/zinc/49/86/58/673498658.db2.gz GGGWDNMORFEVHR-JTQLQIEISA-N -1 1 359.407 2.493 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC(=O)CC1 ZINC000539804827 673507257 /nfs/dbraw/zinc/50/72/57/673507257.db2.gz WMBCWZODVDNPRG-UHFFFAOYSA-N -1 1 358.419 2.293 20 0 FEADMM O=C(C=Cc1ccc(Br)o1)NC1(c2nn[n-]n2)CCCC1 ZINC000736163113 673513848 /nfs/dbraw/zinc/51/38/48/673513848.db2.gz UXGCRUVNEPYHRS-GQCTYLIASA-N -1 1 352.192 2.154 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](CO)c2cccc(F)c2)c(=O)[n-]1 ZINC000539975078 673516732 /nfs/dbraw/zinc/51/67/32/673516732.db2.gz XZZKCODZAIPCJU-AWEZNQCLSA-N -1 1 365.430 2.134 20 0 FEADMM Cc1ccc(C)c(OCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000540050994 673521252 /nfs/dbraw/zinc/52/12/52/673521252.db2.gz MYBJEDXIZWMAIO-UHFFFAOYSA-N -1 1 364.423 2.064 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1 ZINC000540294664 673532618 /nfs/dbraw/zinc/53/26/18/673532618.db2.gz QVWIGSGHCRFDIT-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM O=C(c1cnc(Cc2ccccc2)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540425461 673538794 /nfs/dbraw/zinc/53/87/94/673538794.db2.gz ZIKFXIYYTSYNDE-CYBMUJFWSA-N -1 1 354.439 2.267 20 0 FEADMM C[C@@]12COC[C@@H]1CN(C(=O)c1cc(I)ccc1[O-])C2 ZINC000598222870 673549879 /nfs/dbraw/zinc/54/98/79/673549879.db2.gz DCOIHKXBFSZZPJ-LKFCYVNXSA-N -1 1 373.190 2.105 20 0 FEADMM CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(Br)cc1[O-] ZINC000598441764 673570547 /nfs/dbraw/zinc/57/05/47/673570547.db2.gz BKRQFPFQRQMLNG-UHFFFAOYSA-N -1 1 354.200 2.322 20 0 FEADMM COc1ncc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)c(C)n1 ZINC000543079532 673624308 /nfs/dbraw/zinc/62/43/08/673624308.db2.gz LYVMTPZWQVZCLW-UHFFFAOYSA-N -1 1 365.459 2.008 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCS2)o1 ZINC000543131223 673626871 /nfs/dbraw/zinc/62/68/71/673626871.db2.gz GPTXKUXVJCKQJU-NSHDSACASA-N -1 1 360.501 2.372 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000740623247 673649834 /nfs/dbraw/zinc/64/98/34/673649834.db2.gz HBWRYZOGCJNNBD-VIFPVBQESA-N -1 1 357.204 2.275 20 0 FEADMM COc1ccc(NC(=O)Cc2ccn(C(C)C)n2)cc1[N-]S(C)(=O)=O ZINC000740749541 673652475 /nfs/dbraw/zinc/65/24/75/673652475.db2.gz DHQTULSHBZNROD-UHFFFAOYSA-N -1 1 366.443 2.025 20 0 FEADMM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cn(C)nn3)nc(=O)c2c1C ZINC000741473058 673687783 /nfs/dbraw/zinc/68/77/83/673687783.db2.gz ZBCZULMTMLNYRP-XBXARRHUSA-N -1 1 365.802 2.357 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc3c2COC3=O)o1 ZINC000742307825 673720847 /nfs/dbraw/zinc/72/08/47/673720847.db2.gz XJLFQARFIJAQQL-AWEZNQCLSA-N -1 1 365.407 2.178 20 0 FEADMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544707113 673728015 /nfs/dbraw/zinc/72/80/15/673728015.db2.gz YGIZBZAUFWUVOD-UHFFFAOYSA-N -1 1 368.249 2.442 20 0 FEADMM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544720533 673728765 /nfs/dbraw/zinc/72/87/65/673728765.db2.gz SCVUDSYLKZVKLH-UHFFFAOYSA-N -1 1 354.222 2.052 20 0 FEADMM O=C([N-]c1c(O)cccc1F)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000743415440 673759241 /nfs/dbraw/zinc/75/92/41/673759241.db2.gz AXHYFJPILOVXQK-UHFFFAOYSA-N -1 1 354.359 2.161 20 0 FEADMM Cc1ccccc1-c1csc(NC(=O)c2cc(=O)n3[n-]cnc3n2)n1 ZINC000545377722 673764467 /nfs/dbraw/zinc/76/44/67/673764467.db2.gz DAYLLMDVCPELPL-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM O=S(=O)([N-][C@H]1COc2ccccc2C1)c1ccc(Br)o1 ZINC000545386341 673765234 /nfs/dbraw/zinc/76/52/34/673765234.db2.gz JXPORWOLGYUCBJ-SNVBAGLBSA-N -1 1 358.213 2.324 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c1 ZINC000546534929 673802193 /nfs/dbraw/zinc/80/21/93/673802193.db2.gz LOSDTGHXILBVPP-QHCPKHFHSA-N -1 1 367.448 2.153 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCOCC12CCC2 ZINC000546874127 673824297 /nfs/dbraw/zinc/82/42/97/673824297.db2.gz JUBCDJBTSTZKRZ-UHFFFAOYSA-N -1 1 373.190 2.392 20 0 FEADMM O=C(COC(=O)CCC(F)(F)F)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000745522717 673839917 /nfs/dbraw/zinc/83/99/17/673839917.db2.gz VEKDCXGAQLDNPE-UHFFFAOYSA-N -1 1 369.242 2.430 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCC1(F)F)c1cc(C)cc(C)c1 ZINC000601394862 673854844 /nfs/dbraw/zinc/85/48/44/673854844.db2.gz XRPCSNMFEFSPLZ-ZIAGYGMSSA-N -1 1 361.410 2.482 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cn1C ZINC000745994973 673860447 /nfs/dbraw/zinc/86/04/47/673860447.db2.gz YIJAQLQZEULZTC-UHFFFAOYSA-N -1 1 363.439 2.213 20 0 FEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc2ccccc21 ZINC000547560781 673863729 /nfs/dbraw/zinc/86/37/29/673863729.db2.gz GBXJSJZGEIJKCR-INIZCTEOSA-N -1 1 362.451 2.057 20 0 FEADMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccsc2)c(F)c1 ZINC000547615932 673875166 /nfs/dbraw/zinc/87/51/66/673875166.db2.gz PSZXHMCNJPKMNS-NSHDSACASA-N -1 1 358.347 2.002 20 0 FEADMM COC(=O)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@@H](OC)C1 ZINC000601660822 673892069 /nfs/dbraw/zinc/89/20/69/673892069.db2.gz TVALYSNCZISXOZ-PBFPGSCMSA-N -1 1 369.845 2.451 20 0 FEADMM O=C([O-])[C@H](CC1CCCC1)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000547888389 673898025 /nfs/dbraw/zinc/89/80/25/673898025.db2.gz HWCGOHDWKFGLSA-LBPRGKRZSA-N -1 1 351.346 2.416 20 0 FEADMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000548008858 673914291 /nfs/dbraw/zinc/91/42/91/673914291.db2.gz KWLKYKCFLAOERN-STQMWFEESA-N -1 1 373.837 2.411 20 0 FEADMM C[C@]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)(C1CC1)C(F)(F)F ZINC000548146274 673928461 /nfs/dbraw/zinc/92/84/61/673928461.db2.gz BYIBKVRMRLIRNR-ZDUSSCGKSA-N -1 1 367.393 2.244 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)s1 ZINC000548370951 673953967 /nfs/dbraw/zinc/95/39/67/673953967.db2.gz UUWJQBIYMVUMJG-UHFFFAOYSA-N -1 1 355.338 2.483 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC2CCOCC2)n[n-]1 ZINC000548384781 673954666 /nfs/dbraw/zinc/95/46/66/673954666.db2.gz JRNAPFCYBKSHGI-ZDUSSCGKSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC2CCOCC2)[n-]1 ZINC000548384781 673954669 /nfs/dbraw/zinc/95/46/69/673954669.db2.gz JRNAPFCYBKSHGI-ZDUSSCGKSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC2CCOCC2)n1 ZINC000548384781 673954671 /nfs/dbraw/zinc/95/46/71/673954671.db2.gz JRNAPFCYBKSHGI-ZDUSSCGKSA-N -1 1 352.435 2.002 20 0 FEADMM O=C(CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)NCc1ccco1 ZINC000548926723 674006987 /nfs/dbraw/zinc/00/69/87/674006987.db2.gz ACTHLWSRSQQDNF-UHFFFAOYSA-N -1 1 359.769 2.233 20 0 FEADMM O=C(c1cnc(-c2cccnc2)s1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000566793034 675243169 /nfs/dbraw/zinc/24/31/69/675243169.db2.gz QOGPWKFWOLKXMZ-NSHDSACASA-N -1 1 357.395 2.314 20 0 FEADMM O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820062755 675333876 /nfs/dbraw/zinc/33/38/76/675333876.db2.gz GMXYLIVPPQVCJX-UHFFFAOYSA-N -1 1 363.374 2.099 20 0 FEADMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000820793874 675389156 /nfs/dbraw/zinc/38/91/56/675389156.db2.gz JTUYOQQVUZHLAI-KOLCDFICSA-N -1 1 363.361 2.219 20 0 FEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ncccc2F)ccc1Cl ZINC000820802385 675390282 /nfs/dbraw/zinc/39/02/82/675390282.db2.gz RURPFTVQZORRFD-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)c1 ZINC000821358072 675429830 /nfs/dbraw/zinc/42/98/30/675429830.db2.gz GFJAJDPDULONLG-DLUDVSRJSA-N -1 1 369.483 2.380 20 0 FEADMM Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000823646162 675564963 /nfs/dbraw/zinc/56/49/63/675564963.db2.gz XSCXBTZIZZITLS-LLVKDONJSA-N -1 1 355.232 2.493 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)co1 ZINC000825495297 675656080 /nfs/dbraw/zinc/65/60/80/675656080.db2.gz GHTQXSRNGVXGNW-GXSJLCMTSA-N -1 1 366.361 2.062 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000826047435 675679636 /nfs/dbraw/zinc/67/96/36/675679636.db2.gz KTQKPCXAAMZHBW-NSHDSACASA-N -1 1 356.213 2.126 20 0 FEADMM Cc1onc(CC(=O)Nc2cccc(Cl)c2N(C)C)c1-c1nnn[n-]1 ZINC000826348980 675686562 /nfs/dbraw/zinc/68/65/62/675686562.db2.gz ONYSIHXGALWOJO-UHFFFAOYSA-N -1 1 361.793 2.064 20 0 FEADMM 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FEADMM Cc1c(C(=O)[O-])sc2ncnc(NC3CCN(CC(F)F)CC3)c12 ZINC000649387483 677330415 /nfs/dbraw/zinc/33/04/15/677330415.db2.gz HZPGVNDGCZDCRY-UHFFFAOYSA-N -1 1 356.398 2.261 20 0 FEADMM CO[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)C(F)(F)F ZINC000651654592 677442333 /nfs/dbraw/zinc/44/23/33/677442333.db2.gz XILKKLUKRREWPQ-JTQLQIEISA-N -1 1 358.313 2.103 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c(F)c1 ZINC000651819845 677454670 /nfs/dbraw/zinc/45/46/70/677454670.db2.gz OGCYMANXVCRMMF-OAHLLOKOSA-N -1 1 361.410 2.457 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)co1 ZINC000652995711 677510452 /nfs/dbraw/zinc/51/04/52/677510452.db2.gz MVSUYBXKBVTZHI-NSHDSACASA-N -1 1 366.414 2.129 20 0 FEADMM O=C([C@@H](C[C@H]1CCCO1)C(F)(F)F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000653030652 677512435 /nfs/dbraw/zinc/51/24/35/677512435.db2.gz SVJNNOQWJHGROW-GHMZBOCLSA-N -1 1 363.336 2.229 20 0 FEADMM C[C@@H]1[C@H](O)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000654168488 677565203 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CO[C@H](CS(=O)(=O)[N-]c1cnn(C[C@@H]2CCCO2)c1)C1CCCC1 ZINC000656618627 677784767 /nfs/dbraw/zinc/78/47/67/677784767.db2.gz XRAQXQFJXCJVRW-JKSUJKDBSA-N -1 1 357.476 2.009 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)oc(=O)n2C)C1CCCCC1 ZINC000656620984 677786156 /nfs/dbraw/zinc/78/61/56/677786156.db2.gz JTYICSXCDQWILO-MRXNPFEDSA-N -1 1 368.455 2.469 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn(CC(F)F)c1)C1CCCCC1 ZINC000656622161 677788492 /nfs/dbraw/zinc/78/84/92/677788492.db2.gz BHQWCKYLVMHGEF-ZDUSSCGKSA-N -1 1 351.419 2.485 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(-c2ccccn2)c1)C1CCCC1 ZINC000656624567 677790432 /nfs/dbraw/zinc/79/04/32/677790432.db2.gz POZBABHTFXLPRP-OAHLLOKOSA-N -1 1 350.444 2.214 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2ncco2)cc1)[C@H]1CCOC1 ZINC000656625620 677790809 /nfs/dbraw/zinc/79/08/09/677790809.db2.gz BZWNYYJGSXMDRD-ZFWWWQNUSA-N -1 1 352.412 2.135 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCNC3=O)c(C)c1C ZINC000656632453 677796627 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O=C([O-])[C@@H]1CCN(CCS(=O)(=O)c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000656764356 677829397 /nfs/dbraw/zinc/82/93/97/677829397.db2.gz KDIORXRPQNIUSQ-BRWVUGGUSA-N -1 1 351.468 2.426 20 0 FEADMM COC[C@@H](C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000761703235 680729398 /nfs/dbraw/zinc/72/93/98/680729398.db2.gz TYYKCSLVVXUWPA-MRVPVSSYSA-N -1 1 350.293 2.268 20 0 FEADMM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1ncccc1Br ZINC000656954719 677885264 /nfs/dbraw/zinc/88/52/64/677885264.db2.gz DNPAMMADZWYFRL-UHFFFAOYSA-N -1 1 368.256 2.249 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000657041380 677921641 /nfs/dbraw/zinc/92/16/41/677921641.db2.gz FJYMQKWENKHIHV-NSHDSACASA-N -1 1 370.862 2.023 20 0 FEADMM CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000657078117 677937523 /nfs/dbraw/zinc/93/75/23/677937523.db2.gz WTAFXCITYFDRGX-MPKXVKKWSA-N -1 1 365.854 2.324 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000657081152 677938677 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CC[C@@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)C(=O)OC(C)(C)C ZINC000830877713 679892840 /nfs/dbraw/zinc/89/28/40/679892840.db2.gz KOXYBRBVRMQALC-CABCVRRESA-N -1 1 357.472 2.414 20 0 FEADMM Cc1ccc(SCCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000830969935 679903353 /nfs/dbraw/zinc/90/33/53/679903353.db2.gz KBIXSFMZBUZUBS-UHFFFAOYSA-N -1 1 359.451 2.362 20 0 FEADMM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC000831020793 679908568 /nfs/dbraw/zinc/90/85/68/679908568.db2.gz VLDCJBNTFYSIGO-TVQRCGJNSA-N -1 1 359.835 2.126 20 0 FEADMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831080951 679919199 /nfs/dbraw/zinc/91/91/99/679919199.db2.gz KTHPFEXMARAMHP-VIFPVBQESA-N -1 1 351.856 2.099 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)COc2ccccc2)o1 ZINC000748053954 679924300 /nfs/dbraw/zinc/92/43/00/679924300.db2.gz DQDCDPGJPOMJAK-GFCCVEGCSA-N -1 1 353.396 2.202 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2cccc3cccc(O)c32)C1)C(F)(F)F ZINC000831121451 679927304 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Cc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nn1C(C)C ZINC000832214434 680111451 /nfs/dbraw/zinc/11/14/51/680111451.db2.gz GIDQDTNXXPNSRE-LBPRGKRZSA-N -1 1 360.380 2.303 20 0 FEADMM COC(=O)c1cnc(CCNC(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC000832798480 680177384 /nfs/dbraw/zinc/17/73/84/680177384.db2.gz PAHIKEQFWBLISS-UHFFFAOYSA-N -1 1 354.815 2.190 20 0 FEADMM Cn1ccc(N2CCC[C@@H](OC(=O)c3cc(F)cc(Cl)c3[O-])C2=O)n1 ZINC000751729419 680196454 /nfs/dbraw/zinc/19/64/54/680196454.db2.gz CQHSSFJWKUTZMT-GFCCVEGCSA-N -1 1 367.764 2.271 20 0 FEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)c1cc(Cl)c[nH]1 ZINC000981207187 680221143 /nfs/dbraw/zinc/22/11/43/680221143.db2.gz GNEKRCRSXGKBDX-CMPLNLGQSA-N -1 1 362.817 2.097 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cn2)c1 ZINC000753288533 680284110 /nfs/dbraw/zinc/28/41/10/680284110.db2.gz XFVVRECWUGTDLG-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)co1 ZINC000755444473 680414929 /nfs/dbraw/zinc/41/49/29/680414929.db2.gz VFTZOOYBWZZNCM-UHFFFAOYSA-N -1 1 360.435 2.426 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)co1 ZINC000836073360 680418135 /nfs/dbraw/zinc/41/81/35/680418135.db2.gz VHVILKWQGDQTSP-CHWSQXEVSA-N -1 1 371.455 2.471 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NOCC(F)(F)F)c1 ZINC000755517489 680419212 /nfs/dbraw/zinc/41/92/12/680419212.db2.gz OAJWHWAFFRBOHS-UHFFFAOYSA-N -1 1 359.260 2.165 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(Cl)ccc2OC)co1 ZINC000756390582 680475793 /nfs/dbraw/zinc/47/57/93/680475793.db2.gz QDPPXDVVXOQIFG-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)s1 ZINC001002187981 680488677 /nfs/dbraw/zinc/48/86/77/680488677.db2.gz DMCQTWDSTSBJQH-UPJWGTAASA-N -1 1 357.435 2.333 20 0 FEADMM CC(C)[C@@H](CO)O[N-]C(=O)Cc1c(F)ccc(Br)c1F ZINC000836894356 680528394 /nfs/dbraw/zinc/52/83/94/680528394.db2.gz OPVHIZKYKGQKOV-LLVKDONJSA-N -1 1 352.175 2.335 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@]2(C)CCOC2)c1 ZINC000836738282 680505345 /nfs/dbraw/zinc/50/53/45/680505345.db2.gz IFJAIOYJZQLPOZ-OAHLLOKOSA-N -1 1 359.348 2.474 20 0 FEADMM CC(C)[C@H](CO)ONC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000836892642 680528059 /nfs/dbraw/zinc/52/80/59/680528059.db2.gz RSUOOLCTLSXQCW-AWEZNQCLSA-N -1 1 354.403 2.418 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)c(=O)[n-]1 ZINC000760186703 680679201 /nfs/dbraw/zinc/67/92/01/680679201.db2.gz FDZPXFLGOJFYLE-GXFFZTMASA-N -1 1 365.455 2.367 20 0 FEADMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000841550317 680896040 /nfs/dbraw/zinc/89/60/40/680896040.db2.gz MXDWUUAOHYGDMQ-BDAKNGLRSA-N -1 1 369.668 2.343 20 0 FEADMM CCc1cc(=O)[n-]c(SCCN2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000767062125 680897870 /nfs/dbraw/zinc/89/78/70/680897870.db2.gz JDOQHBVABUSWLY-UHFFFAOYSA-N -1 1 368.503 2.389 20 0 FEADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1sccc1C(N)=O ZINC000767088399 680898552 /nfs/dbraw/zinc/89/85/52/680898552.db2.gz MSJZGEDLLSSRRL-ZETCQYMHSA-N -1 1 364.452 2.339 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC(F)(F)[C@@H]1O)c1ccc(Cl)nc1Cl ZINC000841566169 680899072 /nfs/dbraw/zinc/89/90/72/680899072.db2.gz HJBUUYBDWMCRAN-IMTBSYHQSA-N -1 1 361.197 2.215 20 0 FEADMM CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000768085963 680937694 /nfs/dbraw/zinc/93/76/94/680937694.db2.gz UDEMSRGKLBCEIV-NSHDSACASA-N -1 1 354.378 2.496 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1F ZINC000768287707 680943219 /nfs/dbraw/zinc/94/32/19/680943219.db2.gz YSLVZOQHAVHCHA-UHFFFAOYSA-N -1 1 351.355 2.443 20 0 FEADMM CCN(CCS(=O)(=O)CC(=O)[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000842469806 680948823 /nfs/dbraw/zinc/94/88/23/680948823.db2.gz HNDCIFRUZNPOLJ-INIZCTEOSA-N -1 1 359.463 2.214 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccc(OC(C)(C)C)n2)o1 ZINC000768546981 680950092 /nfs/dbraw/zinc/95/00/92/680950092.db2.gz GGXAODAURSKZJL-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000768888977 680963708 /nfs/dbraw/zinc/96/37/08/680963708.db2.gz ZICLCVPOGBVJJB-UHFFFAOYSA-N -1 1 358.419 2.427 20 0 FEADMM CCOC(=O)c1ncccc1[N-]S(=O)(=O)CCCC1CCOCC1 ZINC000842791870 680966864 /nfs/dbraw/zinc/96/68/64/680966864.db2.gz YXBKDQVHEDACQM-UHFFFAOYSA-N -1 1 356.444 2.207 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CCC2)CCC1 ZINC000843016300 680982127 /nfs/dbraw/zinc/98/21/27/680982127.db2.gz ORDSBIDSMDPFTO-UHFFFAOYSA-N -1 1 364.511 2.330 20 0 FEADMM Cc1cc(C)c(CC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c(C)c1 ZINC000843015873 680982178 /nfs/dbraw/zinc/98/21/78/680982178.db2.gz JFJPKIBJJJGYNE-UHFFFAOYSA-N -1 1 352.500 2.085 20 0 FEADMM COc1ccccc1/C(C)=C\C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018893 680982896 /nfs/dbraw/zinc/98/28/96/680982896.db2.gz WURIRDRJCZODGD-OWBHPGMISA-N -1 1 366.483 2.029 20 0 FEADMM CC(C)COc1ccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843018957 680982910 /nfs/dbraw/zinc/98/29/10/680982910.db2.gz IAMCOBZMELPUDU-UHFFFAOYSA-N -1 1 368.499 2.265 20 0 FEADMM COc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018824 680982977 /nfs/dbraw/zinc/98/29/77/680982977.db2.gz UMMWBSFOWHXASW-AWEZNQCLSA-N -1 1 368.499 2.119 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019575 680983181 /nfs/dbraw/zinc/98/31/81/680983181.db2.gz VWITVKIHKRUGOH-GFCCVEGCSA-N -1 1 374.890 2.038 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)c(=O)[nH]c1=O ZINC000769663607 680990766 /nfs/dbraw/zinc/99/07/66/680990766.db2.gz KRGUGVMSYZXHJB-AWEZNQCLSA-N -1 1 371.503 2.386 20 0 FEADMM CCOc1cc(-c2ccccc2)sc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000770456006 681017002 /nfs/dbraw/zinc/01/70/02/681017002.db2.gz XMXXATHNZXNIEH-UHFFFAOYSA-N -1 1 359.407 2.353 20 0 FEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1oc2ccccc2c1C ZINC000912535148 685393926 /nfs/dbraw/zinc/39/39/26/685393926.db2.gz RKDPKIGXJKDOMH-SNVBAGLBSA-N -1 1 363.395 2.290 20 0 FEADMM CCON(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000844081162 681037557 /nfs/dbraw/zinc/03/75/57/681037557.db2.gz CLLDJHVDURCJQO-UHFFFAOYSA-N -1 1 369.270 2.460 20 0 FEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1nc(C(C)(C)C)ns1 ZINC001050206784 681043622 /nfs/dbraw/zinc/04/36/22/681043622.db2.gz ZNVOVXPUFBCOPM-MNOVXSKESA-N -1 1 361.471 2.333 20 0 FEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)CC1 ZINC000844301906 681049446 /nfs/dbraw/zinc/04/94/46/681049446.db2.gz ZPXHMPOIYQWBHN-UHFFFAOYSA-N -1 1 374.890 2.451 20 0 FEADMM Cn1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1C1CC1 ZINC000771499774 681057294 /nfs/dbraw/zinc/05/72/94/681057294.db2.gz WXUCFSBETKTYBI-UHFFFAOYSA-N -1 1 366.443 2.220 20 0 FEADMM C[C@@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)n1ccnc1 ZINC000844533941 681064162 /nfs/dbraw/zinc/06/41/62/681064162.db2.gz GMKZIXUSQCCZKV-MNXVOIDGSA-N -1 1 360.380 2.138 20 0 FEADMM COC/C(C)=C\C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000844588958 681067520 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C[C@H](CN1CCC(C)CC1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000907042098 691378316 /nfs/dbraw/zinc/37/83/16/691378316.db2.gz SZJFKIOEBVYKPH-GFCCVEGCSA-N -1 1 374.890 2.437 20 0 FEADMM CCCN1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)C1 ZINC000907043708 691379057 /nfs/dbraw/zinc/37/90/57/691379057.db2.gz VONPNGSYZXPXRO-HNNXBMFYSA-N -1 1 366.483 2.026 20 0 FEADMM C/C=C\CNS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907303573 691446898 /nfs/dbraw/zinc/44/68/98/691446898.db2.gz AIJJZVDIZUAAGJ-IHWYPQMZSA-N -1 1 364.389 2.152 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@H](C2CC2)O1)c1ccc(Br)o1 ZINC000907469026 691490758 /nfs/dbraw/zinc/49/07/58/691490758.db2.gz GCKLPJREJOGHIE-NXEZZACHSA-N -1 1 350.234 2.278 20 0 FEADMM COc1ccc2oc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)c(C)c2c1 ZINC000907477860 691495684 /nfs/dbraw/zinc/49/56/84/691495684.db2.gz SRSNVOJYMNKATM-GFCCVEGCSA-N -1 1 359.411 2.193 20 0 FEADMM O=C(c1cc2c(ccnc2Cl)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478966 691496323 /nfs/dbraw/zinc/49/63/23/691496323.db2.gz YHVOWRWHLIMRHA-MRVPVSSYSA-N -1 1 366.859 2.393 20 0 FEADMM CC[C@H](Oc1ccccc1Cl)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478705 691496424 /nfs/dbraw/zinc/49/64/24/691496424.db2.gz YFYWYQKKXNXFIC-RYUDHWBXSA-N -1 1 367.862 2.327 20 0 FEADMM C[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1c(Cl)cccc1Cl ZINC000907943936 691587567 /nfs/dbraw/zinc/58/75/67/691587567.db2.gz NGQDBLSCZMZWCB-VIFPVBQESA-N -1 1 370.240 2.120 20 0 FEADMM CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000907957345 691589447 /nfs/dbraw/zinc/58/94/47/691589447.db2.gz MTLLUWLONSBOMP-QWRGUYRKSA-N -1 1 364.368 2.048 20 0 FEADMM CC(C)(C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1nccs1 ZINC000907960766 691590437 /nfs/dbraw/zinc/59/04/37/691590437.db2.gz XDQAWHVBEYOFQU-UHFFFAOYSA-N -1 1 363.405 2.338 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)[n-]c1=O ZINC000908015660 691598648 /nfs/dbraw/zinc/59/86/48/691598648.db2.gz CNYPFXCVWGRDTN-ZDUSSCGKSA-N -1 1 367.402 2.164 20 0 FEADMM COC(=O)C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000908470067 691685804 /nfs/dbraw/zinc/68/58/04/691685804.db2.gz KCBNNOGMDVYPLC-SCZZXKLOSA-N -1 1 367.254 2.399 20 0 FEADMM CCOC(=O)[C@@H](CC(=O)Nc1cccc([O-])c1Br)C(C)=O ZINC000908708597 691716130 /nfs/dbraw/zinc/71/61/30/691716130.db2.gz ZWNUZCFBBLMPPF-VIFPVBQESA-N -1 1 358.188 2.252 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@H]1COCCN1CC(F)F ZINC000908709176 691716197 /nfs/dbraw/zinc/71/61/97/691716197.db2.gz HGMZVXIMNCZFLW-SECBINFHSA-N -1 1 365.174 2.059 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@]12CCC(=O)N1CCS2 ZINC000908715223 691717535 /nfs/dbraw/zinc/71/75/35/691717535.db2.gz ROXJNCQDZFVBET-CYBMUJFWSA-N -1 1 357.229 2.159 20 0 FEADMM CC[C@H](CNC(=O)c1csc(C(=O)[O-])n1)N1CCc2ccccc2C1 ZINC000908720097 691718477 /nfs/dbraw/zinc/71/84/77/691718477.db2.gz FCNPHWJRUFMYQA-CQSZACIVSA-N -1 1 359.451 2.408 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCCSc2ccc(F)cc2)C1 ZINC000908725958 691719244 /nfs/dbraw/zinc/71/92/44/691719244.db2.gz JRZSZQWXNFYGOG-CYBMUJFWSA-N -1 1 354.447 2.221 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)C1(C(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000908750799 691722548 /nfs/dbraw/zinc/72/25/48/691722548.db2.gz CEFYYNYHYMOUNS-OAHLLOKOSA-N -1 1 351.422 2.467 20 0 FEADMM CC[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C1CC1 ZINC000908755425 691723976 /nfs/dbraw/zinc/72/39/76/691723976.db2.gz YFIGYTQGEQXMGS-HOTGVXAUSA-N -1 1 351.422 2.466 20 0 FEADMM C[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1ccccc1Cl ZINC000908832759 691737554 /nfs/dbraw/zinc/73/75/54/691737554.db2.gz PFYDYOWBFHGYJL-QWHCGFSZSA-N -1 1 354.834 2.020 20 0 FEADMM O=C([O-])C[C@@H](NC(=O)CN1CCCC1)c1cccc(Br)c1 ZINC000908871190 691743950 /nfs/dbraw/zinc/74/39/50/691743950.db2.gz DIACOPNBHRLYKX-CYBMUJFWSA-N -1 1 355.232 2.177 20 0 FEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000908991084 691763063 /nfs/dbraw/zinc/76/30/63/691763063.db2.gz XBBUPHDMKBJGKA-IPYPFGDCSA-N -1 1 351.447 2.052 20 0 FEADMM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000909028360 691768673 /nfs/dbraw/zinc/76/86/73/691768673.db2.gz VHAIHTFUUNVOQW-LLVKDONJSA-N -1 1 366.414 2.119 20 0 FEADMM CCN(CC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)C1CC1 ZINC000909322888 691807337 /nfs/dbraw/zinc/80/73/37/691807337.db2.gz MIMOUGIHNODQFF-MRXNPFEDSA-N -1 1 369.259 2.349 20 0 FEADMM O=C([O-])C1(NC(=O)c2ccc(Nc3ccncc3)cc2)CCSCC1 ZINC000909350014 691810963 /nfs/dbraw/zinc/81/09/63/691810963.db2.gz UYGOEXXZOPUYLB-UHFFFAOYSA-N -1 1 357.435 2.327 20 0 FEADMM C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccc1OC(F)F ZINC000909403822 691818551 /nfs/dbraw/zinc/81/85/51/691818551.db2.gz WZDXPOQVJBKCMN-RYUDHWBXSA-N -1 1 356.369 2.262 20 0 FEADMM O=C([O-])C[C@]1(NC(=O)c2ccc(CN3CCCCC3)o2)CCCOC1 ZINC000909694381 691846095 /nfs/dbraw/zinc/84/60/95/691846095.db2.gz LZSRNRJDFLPTPF-GOSISDBHSA-N -1 1 350.415 2.019 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccc(Cl)cc3C2)o1 ZINC000800158819 674027556 /nfs/dbraw/zinc/02/75/56/674027556.db2.gz VDHYOHDWIYGXLK-GFCCVEGCSA-N -1 1 355.799 2.165 20 0 FEADMM CN(C[C@@H]1CCCO1)C(=O)c1ccc(I)c([O-])c1 ZINC000230892627 548760788 /nfs/dbraw/zinc/76/07/88/548760788.db2.gz ZGUBMCROWVAVCE-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@@H](C)O1 ZINC000549426491 674040904 /nfs/dbraw/zinc/04/09/04/674040904.db2.gz TWTCVIBBVSZNCN-NXEZZACHSA-N -1 1 369.409 2.311 20 0 FEADMM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000549550271 674048965 /nfs/dbraw/zinc/04/89/65/674048965.db2.gz DVUYEKSMSFFBMF-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c(C(F)(F)F)n1 ZINC000549752504 674060400 /nfs/dbraw/zinc/06/04/00/674060400.db2.gz OMVXDNSXACLSNQ-UHFFFAOYSA-N -1 1 358.345 2.399 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549801313 674064103 /nfs/dbraw/zinc/06/41/03/674064103.db2.gz UWPJTPGGKXMBHA-JTQLQIEISA-N -1 1 357.325 2.240 20 0 FEADMM O=S(=O)([N-]CCO[C@@H]1CCCCO1)c1c(Cl)ccnc1Cl ZINC000820720559 675381917 /nfs/dbraw/zinc/38/19/17/675381917.db2.gz MZNIPEQROKMGOD-SNVBAGLBSA-N -1 1 355.243 2.210 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2cccnc2)C(C)(C)CO)sc1C ZINC000549865475 674068024 /nfs/dbraw/zinc/06/80/24/674068024.db2.gz YCHTYESFCPPOHF-ZDUSSCGKSA-N -1 1 355.485 2.193 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)o1 ZINC000028045960 539824592 /nfs/dbraw/zinc/82/45/92/539824592.db2.gz WHGPRMKTNFWYRM-NSHDSACASA-N -1 1 370.427 2.294 20 0 FEADMM COc1cc(NC(=O)c2cccc(N(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000029968157 539870891 /nfs/dbraw/zinc/87/08/91/539870891.db2.gz DTPZYVCIIHOUPM-UHFFFAOYSA-N -1 1 363.439 2.385 20 0 FEADMM COc1ccccc1CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000029966808 539870961 /nfs/dbraw/zinc/87/09/61/539870961.db2.gz CFAAIERHRJQSOX-UHFFFAOYSA-N -1 1 364.423 2.257 20 0 FEADMM CCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000031520334 539909097 /nfs/dbraw/zinc/90/90/97/539909097.db2.gz SZAYVTIPVCOOGL-UHFFFAOYSA-N -1 1 366.395 2.007 20 0 FEADMM CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)cc2[O-])s1 ZINC000031907777 539922507 /nfs/dbraw/zinc/92/25/07/539922507.db2.gz OSJDSHCKBHZSCJ-UHFFFAOYSA-N -1 1 369.424 2.160 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000032087883 539927895 /nfs/dbraw/zinc/92/78/95/539927895.db2.gz PRVHIMFSRCPNRG-UHFFFAOYSA-N -1 1 360.391 2.159 20 0 FEADMM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000800835862 674080824 /nfs/dbraw/zinc/08/08/24/674080824.db2.gz WCRQFFCKEJMCKS-UHFFFAOYSA-N -1 1 364.608 2.399 20 0 FEADMM O=C(CN1C(=O)c2ccc(Cl)cc2S1(=O)=O)c1ccc([O-])cc1 ZINC000800840213 674081377 /nfs/dbraw/zinc/08/13/77/674081377.db2.gz AEXXAKHWGPRKDL-UHFFFAOYSA-N -1 1 351.767 2.073 20 0 FEADMM C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000035119353 539979225 /nfs/dbraw/zinc/97/92/25/539979225.db2.gz CRCLAAZQUXJSTD-RXMQYKEDSA-N -1 1 363.060 2.415 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1 ZINC000036833122 539994965 /nfs/dbraw/zinc/99/49/65/539994965.db2.gz VEJOKIOEXITOFC-UHFFFAOYSA-N -1 1 370.452 2.258 20 0 FEADMM O=C(CCCn1c(=O)oc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036714137 539993391 /nfs/dbraw/zinc/99/33/91/539993391.db2.gz AXHQZXNIQLRWOO-UHFFFAOYSA-N -1 1 355.276 2.150 20 0 FEADMM O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1csc(=NC2CC2)[n-]1 ZINC000532276995 540150698 /nfs/dbraw/zinc/15/06/98/540150698.db2.gz KMJFFPLOBOKGCE-UHFFFAOYSA-N -1 1 357.395 2.026 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000045528325 540216006 /nfs/dbraw/zinc/21/60/06/540216006.db2.gz HJUKBJMGWABUJM-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CC(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000045816362 540229829 /nfs/dbraw/zinc/22/98/29/540229829.db2.gz HKQCXIJXYWYIDP-UHFFFAOYSA-N -1 1 359.662 2.450 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(CO)c2)o1 ZINC000051483162 540436230 /nfs/dbraw/zinc/43/62/30/540436230.db2.gz WAIXJSJEKGQTLR-UHFFFAOYSA-N -1 1 352.412 2.101 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1O)c1cc(Br)cnc1Cl ZINC000052008969 540452033 /nfs/dbraw/zinc/45/20/33/540452033.db2.gz QEXLMGRGYWDBIT-RKDXNWHRSA-N -1 1 369.668 2.079 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)c(C)c1 ZINC000055678845 540670010 /nfs/dbraw/zinc/67/00/10/540670010.db2.gz SMPWVWAPTWXYFK-UHFFFAOYSA-N -1 1 372.443 2.199 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1F ZINC000055682008 540670061 /nfs/dbraw/zinc/67/00/61/540670061.db2.gz LKQRRCWVPUZYLS-UHFFFAOYSA-N -1 1 370.377 2.476 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1 ZINC000055650697 540667978 /nfs/dbraw/zinc/66/79/78/540667978.db2.gz DVFIPNACTIEQAK-UHFFFAOYSA-N -1 1 368.480 2.396 20 0 FEADMM CN(C)C(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000057102260 540768547 /nfs/dbraw/zinc/76/85/47/540768547.db2.gz QPUZZCZHSMSXJD-OAHLLOKOSA-N -1 1 368.405 2.463 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])o1 ZINC000057614460 540804468 /nfs/dbraw/zinc/80/44/68/540804468.db2.gz AZKSNPNYXPUNAW-UHFFFAOYSA-N -1 1 350.396 2.330 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1 ZINC000064475542 541207571 /nfs/dbraw/zinc/20/75/71/541207571.db2.gz XETKNHLLGLRNFH-UHFFFAOYSA-N -1 1 361.379 2.270 20 0 FEADMM O=C(NCc1cccnc1-n1cncn1)c1ccc(Br)cc1[O-] ZINC000066045965 541278817 /nfs/dbraw/zinc/27/88/17/541278817.db2.gz TUWQMACYJZHETG-UHFFFAOYSA-N -1 1 374.198 2.060 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nnc(C2CC2)s1 ZINC000065791052 541262307 /nfs/dbraw/zinc/26/23/07/541262307.db2.gz ZKWQNISPRPGGOY-UHFFFAOYSA-N -1 1 356.411 2.120 20 0 FEADMM NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000066143267 541284263 /nfs/dbraw/zinc/28/42/63/541284263.db2.gz JOONPRQFBOPCGD-JTQLQIEISA-N -1 1 355.232 2.272 20 0 FEADMM CC(C)n1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000066387815 541312827 /nfs/dbraw/zinc/31/28/27/541312827.db2.gz WHQLIZUGDOJUIB-UHFFFAOYSA-N -1 1 354.432 2.386 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000066575010 541339210 /nfs/dbraw/zinc/33/92/10/541339210.db2.gz XUIKYIFAOSXZIO-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM C[C@H](CN1CCOCC1)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000542181767 541354533 /nfs/dbraw/zinc/35/45/33/541354533.db2.gz VLDDXXANIPVJRI-LLVKDONJSA-N -1 1 350.369 2.262 20 0 FEADMM Cn1c(CCNC(=O)c2nn(-c3ccccc3)c3c2CCC3)n[n-]c1=S ZINC000067051107 541410701 /nfs/dbraw/zinc/41/07/01/541410701.db2.gz IRZDYUYOSKMLGJ-UHFFFAOYSA-N -1 1 368.466 2.125 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CCN(c3ccc(C)c(C)c3)C2=O)n[n-]c1=S ZINC000067050626 541411175 /nfs/dbraw/zinc/41/11/75/541411175.db2.gz QPEDXEBIJXYVJE-AWEZNQCLSA-N -1 1 373.482 2.247 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n[n-]c1=S ZINC000067071942 541414135 /nfs/dbraw/zinc/41/41/35/541414135.db2.gz IIZRSPPMSDGHEP-CYBMUJFWSA-N -1 1 363.418 2.470 20 0 FEADMM COCCOc1ccccc1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067080013 541414840 /nfs/dbraw/zinc/41/48/40/541414840.db2.gz JHBYVZBPUHBTSD-UHFFFAOYSA-N -1 1 362.455 2.273 20 0 FEADMM CCn1c(CCNC(=O)c2ccc(-n3nc(C)cc3C)nc2)n[n-]c1=S ZINC000067075436 541414932 /nfs/dbraw/zinc/41/49/32/541414932.db2.gz XHWCZDARTGZEMC-UHFFFAOYSA-N -1 1 371.470 2.131 20 0 FEADMM CC(C)CCC(=O)NCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000067106535 541418745 /nfs/dbraw/zinc/41/87/45/541418745.db2.gz NVBQTKCGBWGIKC-UHFFFAOYSA-N -1 1 360.454 2.366 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1F ZINC000550791230 674110527 /nfs/dbraw/zinc/11/05/27/674110527.db2.gz ASKBSPBNMHOWCO-UHFFFAOYSA-N -1 1 367.280 2.155 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccnc1-2 ZINC000550790423 674110605 /nfs/dbraw/zinc/11/06/05/674110605.db2.gz KEXPCXUMKUKDEQ-UHFFFAOYSA-N -1 1 372.328 2.041 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(COC(C)C)c2)o1 ZINC000068032358 541541067 /nfs/dbraw/zinc/54/10/67/541541067.db2.gz FSACRTGZOBGOJT-UHFFFAOYSA-N -1 1 352.412 2.365 20 0 FEADMM O=C(NCCCOC[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000068532115 541604086 /nfs/dbraw/zinc/60/40/86/541604086.db2.gz WOISTKIOIKAPAV-LBPRGKRZSA-N -1 1 358.232 2.470 20 0 FEADMM CCOCCO[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424845 541590207 /nfs/dbraw/zinc/59/02/07/541590207.db2.gz WDISICRWDBDLOV-LBPRGKRZSA-N -1 1 368.503 2.423 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000068429237 541590518 /nfs/dbraw/zinc/59/05/18/541590518.db2.gz KUOQOMSSPHDITR-UHFFFAOYSA-N -1 1 356.455 2.234 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCN1c1ccccc1 ZINC000068941666 541643160 /nfs/dbraw/zinc/64/31/60/541643160.db2.gz YSOWMILUEQVUGV-CYBMUJFWSA-N -1 1 352.362 2.049 20 0 FEADMM Cc1noc(C)c1[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000072842643 541879514 /nfs/dbraw/zinc/87/95/14/541879514.db2.gz SFZNJFNGTCKYJH-SNVBAGLBSA-N -1 1 357.414 2.467 20 0 FEADMM O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801362262 674124393 /nfs/dbraw/zinc/12/43/93/674124393.db2.gz PLJDEBHVCFOFNQ-LBPRGKRZSA-N -1 1 362.769 2.484 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000064467719 205299520 /nfs/dbraw/zinc/29/95/20/205299520.db2.gz PBFXEKMMOWMFPD-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM Cc1cccc(-n2cc([O-])c(C(=O)OC[C@@H](C)CS(C)(=O)=O)n2)c1C ZINC000801418830 674126284 /nfs/dbraw/zinc/12/62/84/674126284.db2.gz TZBIDIRIOKAJKF-LLVKDONJSA-N -1 1 366.439 2.032 20 0 FEADMM NC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000551212765 674131357 /nfs/dbraw/zinc/13/13/57/674131357.db2.gz SGDGJXKWULBIIJ-CYBMUJFWSA-N -1 1 360.769 2.123 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)O)c2)cc1 ZINC000075236685 542162708 /nfs/dbraw/zinc/16/27/08/542162708.db2.gz UKQUEURVJRFROU-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)cc1C ZINC000075576877 542189847 /nfs/dbraw/zinc/18/98/47/542189847.db2.gz KVINOGDBTLSXJY-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM COc1cc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)ncn1 ZINC000827806039 675780271 /nfs/dbraw/zinc/78/02/71/675780271.db2.gz LTILMGPGCWAOLM-UHFFFAOYSA-N -1 1 355.248 2.243 20 0 FEADMM O=C([O-])[C@]1(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCSC1 ZINC000551420907 674144240 /nfs/dbraw/zinc/14/42/40/674144240.db2.gz QZXKFMUAEQXBBU-AWEZNQCLSA-N -1 1 356.810 2.110 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)cc1F ZINC000076557464 542292539 /nfs/dbraw/zinc/29/25/39/542292539.db2.gz YLERFBKGDWJVPE-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1F ZINC000078387615 542459710 /nfs/dbraw/zinc/45/97/10/542459710.db2.gz NEBBXNAUWCVALD-UHFFFAOYSA-N -1 1 359.373 2.158 20 0 FEADMM O=C([O-])[C@H](CCc1ccc(F)cc1)NS(=O)(=O)c1c(F)cccc1F ZINC000551587491 674152630 /nfs/dbraw/zinc/15/26/30/674152630.db2.gz HXYADXOZSQNILC-AWEZNQCLSA-N -1 1 373.352 2.468 20 0 FEADMM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000092433868 542863267 /nfs/dbraw/zinc/86/32/67/542863267.db2.gz ZVIFSYRSHFVKQL-MRXNPFEDSA-N -1 1 356.397 2.495 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc12 ZINC000093909418 542944798 /nfs/dbraw/zinc/94/47/98/542944798.db2.gz UAGWQJMTGIVHSK-UHFFFAOYSA-N -1 1 373.438 2.236 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(c2ccccc2)CC1 ZINC000103940744 543118611 /nfs/dbraw/zinc/11/86/11/543118611.db2.gz MAFMJOGDHAQFGO-UHFFFAOYSA-N -1 1 350.422 2.030 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)c(C)c1 ZINC000103943105 543118801 /nfs/dbraw/zinc/11/88/01/543118801.db2.gz PXSBINFYKHIZGF-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM CCOCc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000104031833 543120886 /nfs/dbraw/zinc/12/08/86/543120886.db2.gz ATFPRSYSRDIIDA-UHFFFAOYSA-N -1 1 368.437 2.035 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)c1ccc(F)c(F)c1 ZINC000104044653 543121379 /nfs/dbraw/zinc/12/13/79/543121379.db2.gz VSBYPVDFBWYQQU-UHFFFAOYSA-N -1 1 371.347 2.019 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000105589485 543177650 /nfs/dbraw/zinc/17/76/50/543177650.db2.gz QAOJODAOKOEJLL-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000105961500 543184056 /nfs/dbraw/zinc/18/40/56/543184056.db2.gz YTYYXESUDBHUBK-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000551905082 674170841 /nfs/dbraw/zinc/17/08/41/674170841.db2.gz RNHPEQFIUNWSPM-UHFFFAOYSA-N -1 1 362.821 2.379 20 0 FEADMM O=C(NC[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110225932 543352239 /nfs/dbraw/zinc/35/22/39/543352239.db2.gz JGJUCJLQNBOJIK-KSSFIOAISA-N -1 1 368.433 2.303 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)ccn1 ZINC000112496165 543448851 /nfs/dbraw/zinc/44/88/51/543448851.db2.gz YGTSOCYCSDIWRN-UHFFFAOYSA-N -1 1 373.356 2.483 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000115170872 543553609 /nfs/dbraw/zinc/55/36/09/543553609.db2.gz HSPNECFSPJHMAM-SFHVURJKSA-N -1 1 363.417 2.435 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115386430 543564496 /nfs/dbraw/zinc/56/44/96/543564496.db2.gz COSWWYYSXWPQRB-UHFFFAOYSA-N -1 1 367.384 2.119 20 0 FEADMM O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1cncc([O-])c1 ZINC000115726483 543583336 /nfs/dbraw/zinc/58/33/36/543583336.db2.gz YEDAPFODDLPAFB-VWLOTQADSA-N -1 1 360.435 2.467 20 0 FEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)C1=O ZINC000802422356 674181421 /nfs/dbraw/zinc/18/14/21/674181421.db2.gz UCXFIJSPZKKLJD-QMTHXVAHSA-N -1 1 361.295 2.468 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1cnn(C(C)C)c1)c1ccccc1 ZINC000552017475 674182359 /nfs/dbraw/zinc/18/23/59/674182359.db2.gz LPBSKGFMXQRAHI-OAHLLOKOSA-N -1 1 351.428 2.163 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(CCc2ccccc2C)[nH]n1 ZINC000552034525 674183693 /nfs/dbraw/zinc/18/36/93/674183693.db2.gz FGGDMQUZMGMVCL-UHFFFAOYSA-N -1 1 359.455 2.346 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(CO)C3)ccc2C)c1 ZINC000122682983 543717589 /nfs/dbraw/zinc/71/75/89/543717589.db2.gz VAWPHMHLNBLLKT-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000122085822 543703146 /nfs/dbraw/zinc/70/31/46/543703146.db2.gz XUNHNEAFSRREAW-APPZFPTMSA-N -1 1 368.274 2.131 20 0 FEADMM C[C@H](CN(C)C(=O)CSc1cccc(Br)c1)c1nn[n-]n1 ZINC000124310172 543813305 /nfs/dbraw/zinc/81/33/05/543813305.db2.gz YPPQNZACBKSTCU-SECBINFHSA-N -1 1 370.276 2.316 20 0 FEADMM COc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)ccc1OC1CCCC1 ZINC000124458611 543822581 /nfs/dbraw/zinc/82/25/81/543822581.db2.gz WNBNAVVXAZJPQM-LBPRGKRZSA-N -1 1 359.430 2.405 20 0 FEADMM C[C@H](CN(C)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nn[n-]n1 ZINC000124500241 543826475 /nfs/dbraw/zinc/82/64/75/543826475.db2.gz NKLAJFIOGJRURC-GFCCVEGCSA-N -1 1 364.409 2.072 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1nn[n-]n1 ZINC000124041115 543797962 /nfs/dbraw/zinc/79/79/62/543797962.db2.gz BKADWILFUXRDKB-CYBMUJFWSA-N -1 1 372.473 2.379 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1cccc(Cl)c1 ZINC000127218435 543978980 /nfs/dbraw/zinc/97/89/80/543978980.db2.gz NIQORYJOHSORIF-UHFFFAOYSA-N -1 1 354.819 2.138 20 0 FEADMM Cc1n[nH]c(C)c1NC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127755646 544012192 /nfs/dbraw/zinc/01/21/92/544012192.db2.gz GUOCVWLFNLDVHS-UHFFFAOYSA-N -1 1 356.426 2.266 20 0 FEADMM CSC[C@H](C)NC(=O)c1cc(I)ccc1[O-] ZINC000128474891 544054881 /nfs/dbraw/zinc/05/48/81/544054881.db2.gz PWZJUOTWMKUQDS-ZETCQYMHSA-N -1 1 351.209 2.478 20 0 FEADMM O=C(NCCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)C1CCCC1 ZINC000128503769 544055900 /nfs/dbraw/zinc/05/59/00/544055900.db2.gz SKWDVSJREBRQFR-UHFFFAOYSA-N -1 1 368.503 2.008 20 0 FEADMM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cc(-c2ccco2)n[nH]1 ZINC000129113360 544091162 /nfs/dbraw/zinc/09/11/62/544091162.db2.gz UTEFECWHGXGQME-GFCCVEGCSA-N -1 1 364.361 2.127 20 0 FEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1NS(C)(=O)=O ZINC000130144615 544139952 /nfs/dbraw/zinc/13/99/52/544139952.db2.gz MHQVTCDHVPZRGJ-SNVBAGLBSA-N -1 1 352.387 2.394 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000130360689 544148303 /nfs/dbraw/zinc/14/83/03/544148303.db2.gz MANSIDZQMDVAPH-UHFFFAOYSA-N -1 1 354.453 2.192 20 0 FEADMM O=S(=O)([N-]C1CCN(c2ncccn2)CC1)c1c(F)cccc1Cl ZINC000131246124 544182216 /nfs/dbraw/zinc/18/22/16/544182216.db2.gz RFEGBBAOBKJGIN-UHFFFAOYSA-N -1 1 370.837 2.216 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(O)c(F)c2)o1 ZINC000132685738 544240370 /nfs/dbraw/zinc/24/03/70/544240370.db2.gz UCAYHXYGJWAWOR-UHFFFAOYSA-N -1 1 370.402 2.131 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3CO)c2)c1 ZINC000133366051 544266439 /nfs/dbraw/zinc/26/64/39/544266439.db2.gz VCWMHFKDULFZMX-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000133453842 544270585 /nfs/dbraw/zinc/27/05/85/544270585.db2.gz BMMUUWJANRELPU-SECBINFHSA-N -1 1 364.261 2.050 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(O)CCCCCC1 ZINC000135633129 544357150 /nfs/dbraw/zinc/35/71/50/544357150.db2.gz RKBKTMLKSDLEFT-UHFFFAOYSA-N -1 1 360.458 2.186 20 0 FEADMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)NCC1CCCC1 ZINC000135668655 544358193 /nfs/dbraw/zinc/35/81/93/544358193.db2.gz MBJHRTPGWXRJOY-UHFFFAOYSA-N -1 1 360.426 2.328 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cn1 ZINC000150968460 544491689 /nfs/dbraw/zinc/49/16/89/544491689.db2.gz UWORMJWZMFNIHP-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM O=C(CS(=O)(=O)c1nc[n-]n1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000150952654 544490518 /nfs/dbraw/zinc/49/05/18/544490518.db2.gz BTYZGXXPIJCCTA-MRXNPFEDSA-N -1 1 362.455 2.016 20 0 FEADMM Cc1cc(-c2noc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)n2)ccc1F ZINC000151801326 544582418 /nfs/dbraw/zinc/58/24/18/544582418.db2.gz BDYKUUZDOSSJID-UHFFFAOYSA-N -1 1 363.374 2.154 20 0 FEADMM C[C@@H](CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)C(=O)c1ccc(Cl)cc1 ZINC000152574058 544669434 /nfs/dbraw/zinc/66/94/34/544669434.db2.gz LCWHBILRBOXSSN-AAEUAGOBSA-N -1 1 361.833 2.468 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)co1 ZINC000152665776 544681376 /nfs/dbraw/zinc/68/13/76/544681376.db2.gz LTBKQGPYHBSFJO-ZBFHGGJFSA-N -1 1 362.451 2.329 20 0 FEADMM CC[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1cc(F)ccc1F ZINC000153083252 544730708 /nfs/dbraw/zinc/73/07/08/544730708.db2.gz AGLBMSBCDFPLNO-CYBMUJFWSA-N -1 1 358.366 2.347 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n[n-]1 ZINC000153153348 544739316 /nfs/dbraw/zinc/73/93/16/544739316.db2.gz IXQOMGHNNCRCIO-ZJUUUORDSA-N -1 1 370.862 2.060 20 0 FEADMM CN1CCN(Cc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000153938989 544843461 /nfs/dbraw/zinc/84/34/61/544843461.db2.gz VBIBPTQCXZTMEX-UHFFFAOYSA-N -1 1 363.458 2.374 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)co1 ZINC000154109958 544865052 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O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1cccc(F)c1F ZINC000171044703 546187530 /nfs/dbraw/zinc/18/75/30/546187530.db2.gz PFCVBVYVCYUJBM-UHFFFAOYSA-N -1 1 359.325 2.449 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)o1 ZINC000479203996 561184501 /nfs/dbraw/zinc/18/45/01/561184501.db2.gz IABLHMWEVQTAGA-LBPRGKRZSA-N -1 1 365.407 2.301 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)o1 ZINC000479215467 561185024 /nfs/dbraw/zinc/18/50/24/561185024.db2.gz WWRIQELDHSIHRE-CYBMUJFWSA-N -1 1 365.407 2.485 20 0 FEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479265515 561186285 /nfs/dbraw/zinc/18/62/85/561186285.db2.gz IZTBRNUOQWYETD-UHFFFAOYSA-N -1 1 365.363 2.231 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-c3nc[nH]n3)cc1)OCO2 ZINC000479265603 561186312 /nfs/dbraw/zinc/18/63/12/561186312.db2.gz JWOIZCGNCPPHBT-UHFFFAOYSA-N -1 1 358.379 2.310 20 0 FEADMM COc1ccc(C[C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000171684913 546218389 /nfs/dbraw/zinc/21/83/89/546218389.db2.gz IDQIZPMDNGMSQM-LBPRGKRZSA-N -1 1 367.405 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)o1 ZINC000175646515 546326980 /nfs/dbraw/zinc/32/69/80/546326980.db2.gz XXYKFHBIJSZFFN-NWDGAFQWSA-N -1 1 352.412 2.394 20 0 FEADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000176678688 546475780 /nfs/dbraw/zinc/47/57/80/546475780.db2.gz XXLFUZKXABRYSN-WMLDXEAASA-N -1 1 372.446 2.154 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1)c1nn[n-]n1 ZINC000176757369 546483974 /nfs/dbraw/zinc/48/39/74/546483974.db2.gz MLRXIHIKBCJWFS-AWEZNQCLSA-N -1 1 357.393 2.413 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nn[n-]n1 ZINC000176786936 546487577 /nfs/dbraw/zinc/48/75/77/546487577.db2.gz XYVRHOBDABJXBJ-ZDUSSCGKSA-N -1 1 353.386 2.398 20 0 FEADMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000178746085 546842758 /nfs/dbraw/zinc/84/27/58/546842758.db2.gz AEGXSNNMJBCCEE-GFCCVEGCSA-N -1 1 372.231 2.413 20 0 FEADMM COc1cc(S(=O)(=O)Nc2ccc(F)cc2O)cc(C(=O)[O-])c1OC ZINC000481590799 561236823 /nfs/dbraw/zinc/23/68/23/561236823.db2.gz HBKRDOJGULFNIY-UHFFFAOYSA-N -1 1 371.342 2.048 20 0 FEADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@H](c2ccccc2)O1 ZINC000179454434 546956817 /nfs/dbraw/zinc/95/68/17/546956817.db2.gz VVAFHTYKEULZLH-BLLLJJGKSA-N -1 1 352.394 2.276 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481975637 561246536 /nfs/dbraw/zinc/24/65/36/561246536.db2.gz WFNOUYAOKSUHAM-UHFFFAOYSA-N -1 1 362.407 2.097 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)n(-c2ccncc2)n1 ZINC000481983006 561246745 /nfs/dbraw/zinc/24/67/45/561246745.db2.gz JEYGVQXKFCWGLH-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000179540706 546974570 /nfs/dbraw/zinc/97/45/70/546974570.db2.gz MCQCFVKCJIYIFT-UHFFFAOYSA-N -1 1 352.437 2.232 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)C2CCS(=O)(=O)CC2)c1 ZINC000482687638 561258532 /nfs/dbraw/zinc/25/85/32/561258532.db2.gz BGAQSGDFYZWANS-UHFFFAOYSA-N -1 1 362.245 2.226 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(F)cc2Cl)c1 ZINC000181028921 547233440 /nfs/dbraw/zinc/23/34/40/547233440.db2.gz LQLXGMVHILKYAX-UHFFFAOYSA-N -1 1 358.778 2.013 20 0 FEADMM CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)CC1 ZINC000181364287 547301441 /nfs/dbraw/zinc/30/14/41/547301441.db2.gz IJXALWMOGPOHKP-UHFFFAOYSA-N -1 1 371.412 2.448 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000182805659 547554986 /nfs/dbraw/zinc/55/49/86/547554986.db2.gz PFGHAFBMKFVVMD-YVEFUNNKSA-N -1 1 365.437 2.187 20 0 FEADMM COc1ccc(-c2ncc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)s2)cc1 ZINC000183399946 547650417 /nfs/dbraw/zinc/65/04/17/547650417.db2.gz OGLMWDFXBGBONF-JTQLQIEISA-N -1 1 358.427 2.208 20 0 FEADMM C[C@H](CN(C)C(=O)C=Cc1csc(Br)c1)c1nn[n-]n1 ZINC000183406888 547652995 /nfs/dbraw/zinc/65/29/95/547652995.db2.gz IRZMXQUWBZOKMR-MPJRPATESA-N -1 1 356.249 2.299 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)cc2F)n1 ZINC000183421483 547655710 /nfs/dbraw/zinc/65/57/10/547655710.db2.gz OYUVRWHZEPVLML-JTQLQIEISA-N -1 1 357.393 2.017 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccc(Br)s1)c1nn[n-]n1 ZINC000183430857 547658329 /nfs/dbraw/zinc/65/83/29/547658329.db2.gz OHTAVBNLZVJPOQ-SFYZADRCSA-N -1 1 358.265 2.389 20 0 FEADMM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183433164 547658370 /nfs/dbraw/zinc/65/83/70/547658370.db2.gz CMCLKMXSDDMEJY-JTQLQIEISA-N -1 1 359.821 2.223 20 0 FEADMM CCOc1cc2c(cc1C=CC(=O)N(C)C[C@H](C)c1nn[n-]n1)O[C@H](C)C2 ZINC000183440350 547658552 /nfs/dbraw/zinc/65/85/52/547658552.db2.gz OGEGLDNTBQIVHB-VFZNBBLXSA-N -1 1 371.441 2.197 20 0 FEADMM CC(=O)Nc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC000183446387 547662059 /nfs/dbraw/zinc/66/20/59/547662059.db2.gz NLJDECYXOAFMHT-MRVPVSSYSA-N -1 1 370.335 2.053 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1ccsc1 ZINC000184256003 547795989 /nfs/dbraw/zinc/79/59/89/547795989.db2.gz SLZGCUKCRDIDHO-OAHLLOKOSA-N -1 1 362.432 2.489 20 0 FEADMM N=c1nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)s[n-]1 ZINC000485111702 561312743 /nfs/dbraw/zinc/31/27/43/561312743.db2.gz CABVQUQFARIWJC-NWDGAFQWSA-N -1 1 363.874 2.226 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)N1CCC[C@@H](C)C1 ZINC000184914886 547899137 /nfs/dbraw/zinc/89/91/37/547899137.db2.gz SXIFTRKTCWGWFS-NEPJUHHUSA-N -1 1 374.890 2.437 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)cs1 ZINC000185123741 547937276 /nfs/dbraw/zinc/93/72/76/547937276.db2.gz LURSVFBQHNFPKV-GFCCVEGCSA-N -1 1 358.485 2.085 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CSc2ccc(C)cc2)co1 ZINC000185218287 547954503 /nfs/dbraw/zinc/95/45/03/547954503.db2.gz IHOAVSMJBZLEII-LBPRGKRZSA-N -1 1 368.480 2.407 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2nc(C)cs2)o1 ZINC000186477875 548141915 /nfs/dbraw/zinc/14/19/15/548141915.db2.gz VYXSQIAXDVEMCI-VIFPVBQESA-N -1 1 358.441 2.303 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC[C@@H]1O ZINC000186720453 548180995 /nfs/dbraw/zinc/18/09/95/548180995.db2.gz ZUTIIYZMAKSFQR-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM O=c1cc(/C=C/c2cccc(I)c2)nc2nc[n-]n21 ZINC000486125037 561338753 /nfs/dbraw/zinc/33/87/53/561338753.db2.gz LQJLYAMEAIGZOV-SNAWJCMRSA-N -1 1 364.146 2.193 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000486269409 561342868 /nfs/dbraw/zinc/34/28/68/561342868.db2.gz IZIWPKNAHKULAI-UHFFFAOYSA-N -1 1 365.393 2.300 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000486269409 561342870 /nfs/dbraw/zinc/34/28/70/561342870.db2.gz IZIWPKNAHKULAI-UHFFFAOYSA-N -1 1 365.393 2.300 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000193084670 548378939 /nfs/dbraw/zinc/37/89/39/548378939.db2.gz YNMQSWDELAFGIW-UHFFFAOYSA-N -1 1 371.437 2.120 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000194153798 548442379 /nfs/dbraw/zinc/44/23/79/548442379.db2.gz OWPUSGMWPADOHT-SWLSCSKDSA-N -1 1 368.499 2.400 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1 ZINC000486559753 561350847 /nfs/dbraw/zinc/35/08/47/561350847.db2.gz AWRJHMMMXUNHQH-UHFFFAOYSA-N -1 1 362.386 2.205 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2nnc([C@H](C)CC)[nH]2)o1 ZINC000486605911 561352051 /nfs/dbraw/zinc/35/20/51/561352051.db2.gz POWLIWQHSPUQNF-NXEZZACHSA-N -1 1 370.431 2.127 20 0 FEADMM O=C(Nc1ccc(C(=O)NCCCCO)c([O-])c1)c1cc(F)cc(F)c1 ZINC000194994221 548560853 /nfs/dbraw/zinc/56/08/53/548560853.db2.gz OAYDAVAIQKDJOI-UHFFFAOYSA-N -1 1 364.348 2.425 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)CC(=O)Nc2cc(Cl)ccc2F)[n-]1 ZINC000195165896 548588083 /nfs/dbraw/zinc/58/80/83/548588083.db2.gz IYIGHBVWWSIMKA-UHFFFAOYSA-N -1 1 374.825 2.307 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2cc(Cl)ccc2F)n1 ZINC000195165896 548588086 /nfs/dbraw/zinc/58/80/86/548588086.db2.gz IYIGHBVWWSIMKA-UHFFFAOYSA-N -1 1 374.825 2.307 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)Nc2cc(Cl)ccc2F)n[n-]1 ZINC000195165896 548588090 /nfs/dbraw/zinc/58/80/90/548588090.db2.gz IYIGHBVWWSIMKA-UHFFFAOYSA-N -1 1 374.825 2.307 20 0 FEADMM C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175515 548591667 /nfs/dbraw/zinc/59/16/67/548591667.db2.gz ADUYJXUXMCJAEC-NSHDSACASA-N -1 1 356.492 2.056 20 0 FEADMM C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175515 548591669 /nfs/dbraw/zinc/59/16/69/548591669.db2.gz ADUYJXUXMCJAEC-NSHDSACASA-N -1 1 356.492 2.056 20 0 FEADMM C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195175515 548591672 /nfs/dbraw/zinc/59/16/72/548591672.db2.gz ADUYJXUXMCJAEC-NSHDSACASA-N -1 1 356.492 2.056 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)o1 ZINC000487139351 561364927 /nfs/dbraw/zinc/36/49/27/561364927.db2.gz VPYZPEUJPHRIAO-AWEZNQCLSA-N -1 1 367.448 2.375 20 0 FEADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000195460771 548643789 /nfs/dbraw/zinc/64/37/89/548643789.db2.gz FJZQZXQNCLKMAE-CYBMUJFWSA-N -1 1 352.394 2.409 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C12CCCCC2 ZINC000487090135 561363366 /nfs/dbraw/zinc/36/33/66/561363366.db2.gz WXBGLWOXQBBATG-ZIAGYGMSSA-N -1 1 371.455 2.472 20 0 FEADMM COc1ccc(Cn2ccnc2Sc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000490087176 561426290 /nfs/dbraw/zinc/42/62/90/561426290.db2.gz YSTADGGRJITTEV-UHFFFAOYSA-N -1 1 368.422 2.474 20 0 FEADMM CCC[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000262286931 549806274 /nfs/dbraw/zinc/80/62/74/549806274.db2.gz MQKDDRQLSUWJDN-HUUCEWRRSA-N -1 1 364.442 2.210 20 0 FEADMM O=S(=O)([N-]C[C@H]1NCCc2ccccc21)c1c(F)c(F)cc(F)c1F ZINC000262304481 549808624 /nfs/dbraw/zinc/80/86/24/549808624.db2.gz OJDGLVXLLXDKHG-CYBMUJFWSA-N -1 1 374.359 2.408 20 0 FEADMM CCOc1ccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000262679731 549838196 /nfs/dbraw/zinc/83/81/96/549838196.db2.gz SFWRAFAOQLCXTP-ZFWWWQNUSA-N -1 1 364.442 2.068 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n[nH]1 ZINC000263082556 549876539 /nfs/dbraw/zinc/87/65/39/549876539.db2.gz HAOMKHKRNWUPJJ-ZDUSSCGKSA-N -1 1 359.430 2.287 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000263179582 549883982 /nfs/dbraw/zinc/88/39/82/549883982.db2.gz ZMPCLGJDLHQCEG-QGZVFWFLSA-N -1 1 363.801 2.293 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000263203554 549885606 /nfs/dbraw/zinc/88/56/06/549885606.db2.gz XTDVYJBNMYAXGG-GUYCJALGSA-N -1 1 367.877 2.078 20 0 FEADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CNC(=O)c1ncccc1[O-] ZINC000490569014 561435393 /nfs/dbraw/zinc/43/53/93/561435393.db2.gz XFFWHXJAWVSKTE-INIZCTEOSA-N -1 1 355.438 2.387 20 0 FEADMM O=C([O-])c1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000263364252 549897525 /nfs/dbraw/zinc/89/75/25/549897525.db2.gz VMDHRJYCAGRQIQ-LJQANCHMSA-N -1 1 368.433 2.406 20 0 FEADMM CC(C)[C@H]1CN(C)CCN1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263494314 549905188 /nfs/dbraw/zinc/90/51/88/549905188.db2.gz SGZDOEWSQNQCKI-QZTJIDSGSA-N -1 1 361.486 2.444 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000263577040 549910624 /nfs/dbraw/zinc/91/06/24/549910624.db2.gz RBDIPNYSWXZHOO-SMDDNHRTSA-N -1 1 367.243 2.351 20 0 FEADMM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000490743811 561437954 /nfs/dbraw/zinc/43/79/54/561437954.db2.gz HLQQPQAQQUWTTA-AWEZNQCLSA-N -1 1 371.441 2.001 20 0 FEADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000263939292 549957525 /nfs/dbraw/zinc/95/75/25/549957525.db2.gz JXGOYWJVRSSKSS-IPWDFOCMSA-N -1 1 363.365 2.020 20 0 FEADMM CCC(=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])CC ZINC000268405074 550060242 /nfs/dbraw/zinc/06/02/42/550060242.db2.gz WHIFZAUKQYOXKY-UHFFFAOYSA-N -1 1 368.455 2.098 20 0 FEADMM O=C(Nc1ccncc1[O-])c1ccn(-c2ccc(Br)cc2)n1 ZINC000491551655 561446480 /nfs/dbraw/zinc/44/64/80/561446480.db2.gz XVQANETYUBZBLR-UHFFFAOYSA-N -1 1 359.183 2.410 20 0 FEADMM CCOc1ccccc1OCCCC(=O)Nc1nc(SCCO)n[nH]1 ZINC000268742638 550110989 /nfs/dbraw/zinc/11/09/89/550110989.db2.gz QYNIKODPDPWHRF-UHFFFAOYSA-N -1 1 366.443 2.086 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cn1 ZINC000269659844 550214769 /nfs/dbraw/zinc/21/47/69/550214769.db2.gz WAVXBKDDVXPWST-UHFFFAOYSA-N -1 1 357.407 2.257 20 0 FEADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cnn([C@H]2CCOC2)c1 ZINC000269668312 550215090 /nfs/dbraw/zinc/21/50/90/550215090.db2.gz AEMZERVPLGSAMJ-VIFPVBQESA-N -1 1 371.802 2.027 20 0 FEADMM CC[C@]1(c2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)CCC(=O)NC1=O ZINC000271255062 550358065 /nfs/dbraw/zinc/35/80/65/550358065.db2.gz IJXWPZAQUFBMHA-HXUWFJFHSA-N -1 1 368.389 2.435 20 0 FEADMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)CCO1 ZINC000272146148 550425850 /nfs/dbraw/zinc/42/58/50/550425850.db2.gz LACUCQBDZZOWPH-UONOGXRCSA-N -1 1 359.444 2.328 20 0 FEADMM C[C@H](O)C(C)(C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000272735455 550467743 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Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3C[C@@H](O)C3)c2)c1 ZINC000298435226 553424684 /nfs/dbraw/zinc/42/46/84/553424684.db2.gz PAIQNCNHGDGJDO-CALCHBBNSA-N -1 1 374.462 2.357 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cc(Cl)c1[O-] ZINC000503586652 561644992 /nfs/dbraw/zinc/64/49/92/561644992.db2.gz WVWNCGWEWROHGI-FZMZJTMJSA-N -1 1 351.790 2.048 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298835651 553479410 /nfs/dbraw/zinc/47/94/10/553479410.db2.gz CZAHLXPCMCVPSW-JTQLQIEISA-N -1 1 365.231 2.189 20 0 FEADMM CCc1nnc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000299180369 553526117 /nfs/dbraw/zinc/52/61/17/553526117.db2.gz YYMQDPXCSFXHFX-UHFFFAOYSA-N -1 1 356.411 2.148 20 0 FEADMM COc1ccc(NC(=O)CCc2scnc2C)cc1[N-]S(C)(=O)=O ZINC000299272293 553540539 /nfs/dbraw/zinc/54/05/39/553540539.db2.gz MGTVFOHWWPKUKU-UHFFFAOYSA-N -1 1 369.468 2.403 20 0 FEADMM COCCN1C(=O)N[C@H](c2ccc([O-])c(Cl)c2)C(C(=O)N(C)C)=C1C ZINC000299278329 553541326 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Cc1nc(S(=O)(=O)[N-]C[C@@H](C)N2CCc3ccccc3C2)sc1C ZINC000333245596 554593923 /nfs/dbraw/zinc/59/39/23/554593923.db2.gz JEFGGENSCROCSH-GFCCVEGCSA-N -1 1 365.524 2.485 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)sc1C ZINC000333282742 554598412 /nfs/dbraw/zinc/59/84/12/554598412.db2.gz PRZRANWOCYTOQR-UHFFFAOYSA-N -1 1 351.497 2.097 20 0 FEADMM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1csc(=NC2CC2)[n-]1 ZINC000333307938 554601033 /nfs/dbraw/zinc/60/10/33/554601033.db2.gz IQPRBBBXDRZIPQ-YMTOWFKASA-N -1 1 363.405 2.931 20 0 FEADMM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333372987 554607100 /nfs/dbraw/zinc/60/71/00/554607100.db2.gz FXRZLKJBKIKFSM-UHFFFAOYSA-N -1 1 366.343 2.087 20 0 FEADMM C[C@@H](N=c1ccc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n[n-]1)c1ccccc1 ZINC000333538516 554622427 /nfs/dbraw/zinc/62/24/27/554622427.db2.gz ZMLRDHKGDIENQN-QINHECLXSA-N -1 1 354.454 3.034 20 0 FEADMM CC[C@H]1CCCC[C@H]1c1noc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000349729978 554739726 /nfs/dbraw/zinc/73/97/26/554739726.db2.gz HPHWWKDGOJDZRY-QWHCGFSZSA-N -1 1 367.475 2.274 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nc(-c3nc[nH]n3)no2)c1)c1ccccc1 ZINC000349795095 554742798 /nfs/dbraw/zinc/74/27/98/554742798.db2.gz OCKKZTCZURDMJN-UHFFFAOYSA-N -1 1 368.378 2.323 20 0 FEADMM Cc1noc(C)c1Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000350484218 554791580 /nfs/dbraw/zinc/79/15/80/554791580.db2.gz QJPNQMQACZKDHS-SECBINFHSA-N -1 1 368.440 2.366 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@H]2CCOC[C@@H]2C)no1 ZINC000350594493 554800742 /nfs/dbraw/zinc/80/07/42/554800742.db2.gz MDWIAIFMKLAMFF-DCAQKATOSA-N -1 1 357.457 2.311 20 0 FEADMM COc1cc(-c2noc([C@@H]3COCCN3C)n2)cc(Br)c1[O-] ZINC000350600952 554801029 /nfs/dbraw/zinc/80/10/29/554801029.db2.gz DSZJKROYYWRIND-JTQLQIEISA-N -1 1 370.203 2.216 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)o1 ZINC000350794678 554814260 /nfs/dbraw/zinc/81/42/60/554814260.db2.gz KKESRNSVQABFSW-UHFFFAOYSA-N -1 1 371.378 2.090 20 0 FEADMM CN(C)S(=O)(=O)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)co1 ZINC000350826844 554816314 /nfs/dbraw/zinc/81/63/14/554816314.db2.gz XVTUOFRTQMJOOE-UHFFFAOYSA-N -1 1 353.331 2.092 20 0 FEADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1-n1cnnn1 ZINC000350838758 554817014 /nfs/dbraw/zinc/81/70/14/554817014.db2.gz RCWNMRVGZQAOLP-UHFFFAOYSA-N -1 1 354.301 2.233 20 0 FEADMM Cc1ocnc1-c1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000351044948 554832445 /nfs/dbraw/zinc/83/24/45/554832445.db2.gz XRKYDPCDORYLIJ-UHFFFAOYSA-N -1 1 352.372 2.370 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)c1 ZINC000360469084 554875918 /nfs/dbraw/zinc/87/59/18/554875918.db2.gz YQCRWUQNDYWLPK-UHFFFAOYSA-N -1 1 357.428 2.084 20 0 FEADMM Cc1cnc([C@@H]2CCCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)s1 ZINC000360720848 554887022 /nfs/dbraw/zinc/88/70/22/554887022.db2.gz OYDWXNJWNPOASU-LLVKDONJSA-N -1 1 357.439 2.459 20 0 FEADMM O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362104066 554950147 /nfs/dbraw/zinc/95/01/47/554950147.db2.gz WLWDRBDGURVLDF-GFCCVEGCSA-N -1 1 369.347 2.090 20 0 FEADMM O=C(CCc1cccc(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362104964 554950327 /nfs/dbraw/zinc/95/03/27/554950327.db2.gz ZSTYSPAERDUTRH-GFCCVEGCSA-N -1 1 364.247 2.301 20 0 FEADMM CN1C(=O)C[C@@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@H]1c1ccccc1 ZINC000363340739 555081149 /nfs/dbraw/zinc/08/11/49/555081149.db2.gz XKRXNTBSRGIVBN-CZUORRHYSA-N -1 1 362.393 2.025 20 0 FEADMM O=C(c1ccccc1Nc1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363396751 555094756 /nfs/dbraw/zinc/09/47/56/555094756.db2.gz XRAARBIXEXRDLE-MRXNPFEDSA-N -1 1 350.382 2.157 20 0 FEADMM Cc1cc(C)n([C@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000511903460 561884924 /nfs/dbraw/zinc/88/49/24/561884924.db2.gz AYRDDSGWAFYLCZ-GFCCVEGCSA-N -1 1 356.430 2.133 20 0 FEADMM Cn1ccnc1Sc1ncc(C(=O)Nc2ccncc2[O-])cc1Cl ZINC000511983458 561887921 /nfs/dbraw/zinc/88/79/21/561887921.db2.gz NELODESXLVOVSJ-UHFFFAOYSA-N -1 1 361.814 2.395 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2CCN(c3cccc(F)c3)CC2)c1Cl ZINC000363556351 555136540 /nfs/dbraw/zinc/13/65/40/555136540.db2.gz BFLPPMJWTCUCHD-UHFFFAOYSA-N -1 1 372.853 2.160 20 0 FEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512013388 561889130 /nfs/dbraw/zinc/88/91/30/561889130.db2.gz ZZAHFXWNILJCNM-QLJPJBMISA-N -1 1 358.373 2.319 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@H]2CCN(c3ccccc3OC(F)F)C2=O)C1 ZINC000363789415 555186790 /nfs/dbraw/zinc/18/67/90/555186790.db2.gz NSAQEGDYYBTJIE-AAEUAGOBSA-N -1 1 354.353 2.190 20 0 FEADMM COc1cc(OC)cc([C@@H](NC(=O)c2ncccc2[O-])c2nccn2C)c1 ZINC000363812699 555191461 /nfs/dbraw/zinc/19/14/61/555191461.db2.gz BTHWSRBYFABWHH-MRXNPFEDSA-N -1 1 368.393 2.057 20 0 FEADMM CCOc1ccc2c(c1)CCN(C(=O)c1c[n-]c3c(cnn3C)c1=O)C2 ZINC000512143852 561893780 /nfs/dbraw/zinc/89/37/80/561893780.db2.gz CZZSHIFBFQXJQB-UHFFFAOYSA-N -1 1 352.394 2.271 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cc(CN3CCCC3)on2)c1Br ZINC000616004224 555262591 /nfs/dbraw/zinc/26/25/91/555262591.db2.gz WPIAMESGXGEVFI-UHFFFAOYSA-N -1 1 354.208 2.317 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3CCN(c4cnn(C)c4)C3)nc2)[n-]c(=O)c1C ZINC000364410147 555308216 /nfs/dbraw/zinc/30/82/16/555308216.db2.gz AQYCGBSRLOTJFZ-HNNXBMFYSA-N -1 1 365.441 2.285 20 0 FEADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(Sc2ccccc2)CCCC1 ZINC000364581959 555344530 /nfs/dbraw/zinc/34/45/30/555344530.db2.gz PLNWCBBUMAINSE-CQSZACIVSA-N -1 1 359.455 2.205 20 0 FEADMM NC(=O)c1noc([C@@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000364717032 555384385 /nfs/dbraw/zinc/38/43/85/555384385.db2.gz IJJNCQCOUKLEBW-ZDUSSCGKSA-N -1 1 352.350 2.005 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H](O)C1CCCCC1 ZINC000364840141 555412864 /nfs/dbraw/zinc/41/28/64/555412864.db2.gz DNRMOTCGLKYMST-ZIAGYGMSSA-N -1 1 367.812 2.139 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(-c3ncn(C)n3)c1)OCO2 ZINC000365420930 555570998 /nfs/dbraw/zinc/57/09/98/555570998.db2.gz RSXWPWLXHNAASU-UHFFFAOYSA-N -1 1 372.406 2.320 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CCN(c3ncccc3Cl)C2)sc1C ZINC000365486671 555588137 /nfs/dbraw/zinc/58/81/37/555588137.db2.gz QOORBODGDOZCBP-SNVBAGLBSA-N -1 1 352.847 2.977 20 0 FEADMM COC(=O)c1cnc(S[C@H]2CCCN(c3ccccc3OC)C2=O)[n-]1 ZINC000365505699 555593488 /nfs/dbraw/zinc/59/34/88/555593488.db2.gz QQIMEKXNRGAZLG-AWEZNQCLSA-N -1 1 361.423 2.493 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H]2CCCN(c3ccccc3OC)C2=O)n1 ZINC000365505699 555593490 /nfs/dbraw/zinc/59/34/90/555593490.db2.gz QQIMEKXNRGAZLG-AWEZNQCLSA-N -1 1 361.423 2.493 20 0 FEADMM C[C@H](CO[N-]C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000365608675 555621486 /nfs/dbraw/zinc/62/14/86/555621486.db2.gz JNDKFRVKIAZNML-PXAZEXFGSA-N -1 1 361.458 2.160 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000513347687 561934828 /nfs/dbraw/zinc/93/48/28/561934828.db2.gz DDHLHGBTGUNIEF-BJWYYQGGSA-N -1 1 365.433 2.454 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@]2(CCCCO2)C1 ZINC000365703739 555645301 /nfs/dbraw/zinc/64/53/01/555645301.db2.gz LRXYGSAWGGIQAX-IBGZPJMESA-N -1 1 358.442 2.156 20 0 FEADMM Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000366033939 555732968 /nfs/dbraw/zinc/73/29/68/555732968.db2.gz OVCOKCTWKSKCCS-UHFFFAOYSA-N -1 1 360.395 2.018 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3COc4ccc(Br)cc43)ccnc1-2 ZINC000366177659 555773084 /nfs/dbraw/zinc/77/30/84/555773084.db2.gz DMRZVSMBCNENTB-UNDKWDADSA-N -1 1 373.210 2.219 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2OC)c1 ZINC000513799057 561950234 /nfs/dbraw/zinc/95/02/34/561950234.db2.gz IRLRNALVFIUCTB-SNVBAGLBSA-N -1 1 369.395 2.123 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(CC)CC ZINC000513845839 561952370 /nfs/dbraw/zinc/95/23/70/561952370.db2.gz BNAMZEIEDPKSBT-QWHCGFSZSA-N -1 1 359.444 2.328 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000513849992 561952591 /nfs/dbraw/zinc/95/25/91/561952591.db2.gz KTOPROZZYOIROY-UVWXRNBGSA-N -1 1 365.407 2.298 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000366394544 555832359 /nfs/dbraw/zinc/83/23/59/555832359.db2.gz FEIOPIXXMSDZHL-LBPRGKRZSA-N -1 1 371.441 2.413 20 0 FEADMM Cc1nc([C@H]2CCCCN2C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)n[nH]1 ZINC000366710202 555914960 /nfs/dbraw/zinc/91/49/60/555914960.db2.gz QVKUGPISLXIKAJ-MRXNPFEDSA-N -1 1 366.425 2.268 20 0 FEADMM CCC(CC)(CCO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000366975854 555986426 /nfs/dbraw/zinc/98/64/26/555986426.db2.gz MQQNDIDLJXUQCX-UHFFFAOYSA-N -1 1 358.442 2.153 20 0 FEADMM Cc1nc([C@@H]2CCCCN2C(=O)N=c2[n-]nc(C(F)(F)F)s2)n[nH]1 ZINC000366981288 555988483 /nfs/dbraw/zinc/98/84/83/555988483.db2.gz KANAMLOQKXWRGQ-ZETCQYMHSA-N -1 1 361.353 2.743 20 0 FEADMM Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000366995893 555992520 /nfs/dbraw/zinc/99/25/20/555992520.db2.gz WJUFZFANNYMCSU-UHFFFAOYSA-N -1 1 361.379 2.488 20 0 FEADMM O=c1[n-]c(C2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)n[nH]1 ZINC000367362771 556028680 /nfs/dbraw/zinc/02/86/80/556028680.db2.gz ZKKQPRCQVLAAKS-UHFFFAOYSA-N -1 1 350.806 2.410 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1ccc(Br)o1 ZINC000515280876 562003133 /nfs/dbraw/zinc/00/31/33/562003133.db2.gz XFXRVZPKNADZPD-NSHDSACASA-N -1 1 363.277 2.337 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3sc(Cl)cc3C2)o1 ZINC000515301269 562004155 /nfs/dbraw/zinc/00/41/55/562004155.db2.gz DQNXHSSEQKGRTK-UHFFFAOYSA-N -1 1 360.844 2.101 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2nccnc2c1 ZINC000368778005 556411279 /nfs/dbraw/zinc/41/12/79/556411279.db2.gz SMPCCPFYPRNMIU-UHFFFAOYSA-N -1 1 372.388 2.265 20 0 FEADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000515492161 562012830 /nfs/dbraw/zinc/01/28/30/562012830.db2.gz XBYHEUSKDOPDSD-SXLOBPIMSA-N -1 1 371.433 2.267 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)c1 ZINC000368867981 556433520 /nfs/dbraw/zinc/43/35/20/556433520.db2.gz TWAOKVPNJRYWDX-UHFFFAOYSA-N -1 1 359.363 2.324 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000368873181 556434732 /nfs/dbraw/zinc/43/47/32/556434732.db2.gz RQLSNMUQAJIWPC-UHFFFAOYSA-N -1 1 367.405 2.084 20 0 FEADMM Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1 ZINC000515676959 562019196 /nfs/dbraw/zinc/01/91/96/562019196.db2.gz DDLPGVOJTJYOPC-GFCCVEGCSA-N -1 1 371.372 2.428 20 0 FEADMM CCc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000369145356 556516346 /nfs/dbraw/zinc/51/63/46/556516346.db2.gz RAEXHDXLWXRQIE-ZDUSSCGKSA-N -1 1 352.398 2.437 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NC[C@H]2CCCN2CC(F)F)[n-]n1 ZINC000624518611 556599405 /nfs/dbraw/zinc/59/94/05/556599405.db2.gz IMUKIVUCQOWCIR-CYBMUJFWSA-N -1 1 353.417 2.290 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3C[C@@H]4CCCCN4C3=O)nc2)[n-]c(=O)c1C ZINC000516257108 562037694 /nfs/dbraw/zinc/03/76/94/562037694.db2.gz UNZSQFVCYDQIMO-LSDHHAIUSA-N -1 1 353.426 2.426 20 0 FEADMM O=C(NCC1(N2CCOCC2)CCCCC1)c1c(F)ccc([O-])c1F ZINC000370469108 556882334 /nfs/dbraw/zinc/88/23/34/556882334.db2.gz NSJHHTQDBHWRFD-UHFFFAOYSA-N -1 1 354.397 2.435 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2CCc3nc[nH]c3C2)n1 ZINC000370815133 556976519 /nfs/dbraw/zinc/97/65/19/556976519.db2.gz UEEVDVIDFXGOPW-LBPRGKRZSA-N -1 1 355.373 2.036 20 0 FEADMM O=C(CCCSc1ccc(Cl)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370854379 556992082 /nfs/dbraw/zinc/99/20/82/556992082.db2.gz YFTRMSCLGJMSSQ-CYBMUJFWSA-N -1 1 367.862 2.326 20 0 FEADMM O=C(Cc1csc2ccc(Cl)cc12)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370973991 557032978 /nfs/dbraw/zinc/03/29/78/557032978.db2.gz BOLTUNWUFPWZBH-LBPRGKRZSA-N -1 1 363.830 2.210 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000517235712 562081686 /nfs/dbraw/zinc/08/16/86/562081686.db2.gz QSOPYQGMIKGNPD-RHSMWYFYSA-N -1 1 370.453 2.470 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@@H](c4nnc[nH]4)C3)nc2)[n-]c(=O)c1C ZINC000371270099 557126234 /nfs/dbraw/zinc/12/62/34/557126234.db2.gz CZAWMRHOFJEAJM-CQSZACIVSA-N -1 1 351.414 2.363 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1C(C)(C)O ZINC000371269791 557126510 /nfs/dbraw/zinc/12/65/10/557126510.db2.gz WCBZJFIFVAMLMO-INIZCTEOSA-N -1 1 370.453 2.247 20 0 FEADMM CCc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1Cc1ccccc1 ZINC000371298916 557136401 /nfs/dbraw/zinc/13/64/01/557136401.db2.gz ZZLMZVSKNVKHSF-OAHLLOKOSA-N -1 1 365.441 2.027 20 0 FEADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000517734084 562096592 /nfs/dbraw/zinc/09/65/92/562096592.db2.gz VBXQTYQHHPKCAK-IUODEOHRSA-N -1 1 357.410 2.437 20 0 FEADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H]1CCOC1 ZINC000517817306 562098599 /nfs/dbraw/zinc/09/85/99/562098599.db2.gz KOIKPFMRAXQGBH-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c(C)c1 ZINC000371716154 557272558 /nfs/dbraw/zinc/27/25/58/557272558.db2.gz VLZPNWPYFQOMRN-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000371854436 557311831 /nfs/dbraw/zinc/31/18/31/557311831.db2.gz XHQHXDCWDYFXMP-UHFFFAOYSA-N -1 1 374.890 2.453 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000372142366 557390911 /nfs/dbraw/zinc/39/09/11/557390911.db2.gz CMDJMPIXBGZHJW-CORIIIEPSA-N -1 1 363.439 2.057 20 0 FEADMM O=S(=O)([N-][C@@H](c1nc[nH]n1)c1ccccc1)c1cc(F)c(F)cc1F ZINC000372591663 557514251 /nfs/dbraw/zinc/51/42/51/557514251.db2.gz HWPMMIYAJKEWRK-CQSZACIVSA-N -1 1 368.340 2.290 20 0 FEADMM CO[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000372686347 557537437 /nfs/dbraw/zinc/53/74/37/557537437.db2.gz XHQJVACHGXTIRR-DYVFJYSZSA-N -1 1 356.422 2.301 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)[C@H]2CCCCN12 ZINC000519688828 562140072 /nfs/dbraw/zinc/14/00/72/562140072.db2.gz YDDFVHBVEZJOCT-CHWSQXEVSA-N -1 1 352.387 2.004 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1C ZINC000373088505 557625498 /nfs/dbraw/zinc/62/54/98/557625498.db2.gz QSTWXXOGKPRWHS-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc3[nH]c(=O)[nH]c32)c(=O)[n-]1 ZINC000519849647 562146519 /nfs/dbraw/zinc/14/65/19/562146519.db2.gz OLVUURKIPOWLRR-UHFFFAOYSA-N -1 1 359.411 2.366 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2noc(-c3ccc(F)cc3)n2)n1 ZINC000373179328 557645470 /nfs/dbraw/zinc/64/54/70/557645470.db2.gz KHVMSGNPVNATMZ-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2noc(-c3ccc(F)cc3)n2)n[n-]1 ZINC000373179328 557645472 /nfs/dbraw/zinc/64/54/72/557645472.db2.gz KHVMSGNPVNATMZ-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(=O)N1CC[C@@](C)(C(=O)[N-]OCc2ccc(F)cc2Br)C1 ZINC000373435270 557692605 /nfs/dbraw/zinc/69/26/05/557692605.db2.gz LPBUYSSKKOOLHO-OAHLLOKOSA-N -1 1 373.222 2.395 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000373510362 557708263 /nfs/dbraw/zinc/70/82/63/557708263.db2.gz SLVBVFZFWHIBJD-IBGZPJMESA-N -1 1 353.418 2.417 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@]4(C3)C(=O)Nc3ccccc34)cnc2n1 ZINC000373534929 557713204 /nfs/dbraw/zinc/71/32/04/557713204.db2.gz PLRAAOLJJQTRPR-OAQYLSRUSA-N -1 1 374.400 2.380 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@]3(C1)c1ccccc1NC3=O)c2=O ZINC000373534929 557713207 /nfs/dbraw/zinc/71/32/07/557713207.db2.gz PLRAAOLJJQTRPR-OAQYLSRUSA-N -1 1 374.400 2.380 20 0 FEADMM COc1ccc(F)c(C(=O)[N-]c2nnc(-c3nccn3C)s2)c1OC ZINC000373751862 557751650 /nfs/dbraw/zinc/75/16/50/557751650.db2.gz UCGYJFROUIPRKD-UHFFFAOYSA-N -1 1 363.374 2.347 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000374048023 557814043 /nfs/dbraw/zinc/81/40/43/557814043.db2.gz BSTMKIZVFDBDHP-MPTQWLOMSA-N -1 1 358.442 2.076 20 0 FEADMM COc1cc(NC(=O)CC[C@@H]2CCCCO2)ccc1[N-]S(C)(=O)=O ZINC000521114577 562169746 /nfs/dbraw/zinc/16/97/46/562169746.db2.gz DCDXXVSCJLBMKT-ZDUSSCGKSA-N -1 1 356.444 2.355 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)[C@H]3CCn4c(cnc4-c4ccccc4)C3)ccnc1-2 ZINC000374708393 557919730 /nfs/dbraw/zinc/91/97/30/557919730.db2.gz YTSHELSHOMEGCI-UCXBAENPSA-N -1 1 372.432 2.406 20 0 FEADMM Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CC2N=NC(=O)S2)cs1 ZINC000375295637 558005594 /nfs/dbraw/zinc/00/55/94/558005594.db2.gz KGQBRINJIRPJRW-JQWIXIFHSA-N -1 1 357.480 2.053 20 0 FEADMM Cc1nc([C@H](NC(=O)N=c2ccc(OC(C)C)n[n-]2)c2ccccc2)n[nH]1 ZINC000375477120 558034132 /nfs/dbraw/zinc/03/41/32/558034132.db2.gz XNXZYRLBYBUAAN-MRXNPFEDSA-N -1 1 367.413 2.601 20 0 FEADMM O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)c1cc(Cl)ccc1[O-] ZINC000375683161 558067338 /nfs/dbraw/zinc/06/73/38/558067338.db2.gz OHBIZSDTRSMZMO-RYUDHWBXSA-N -1 1 350.781 2.182 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000376119914 558129487 /nfs/dbraw/zinc/12/94/87/558129487.db2.gz XHAGNYPYSRRYFP-CVEARBPZSA-N -1 1 368.462 2.256 20 0 FEADMM C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000376174899 558136876 /nfs/dbraw/zinc/13/68/76/558136876.db2.gz UWQNQDVZKFIMEC-MXWKQRLJSA-N -1 1 350.410 2.280 20 0 FEADMM CCc1ccc([C@H]2COCCN2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)o1 ZINC000376675763 558206538 /nfs/dbraw/zinc/20/65/38/558206538.db2.gz WWQBTIDGXYVMNE-XWCAUFEOSA-N -1 1 355.398 2.103 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCOc4cc(O)ccc4C3)cnc2n1 ZINC000377123058 558271050 /nfs/dbraw/zinc/27/10/50/558271050.db2.gz MYNOZRNXFAFGPY-UHFFFAOYSA-N -1 1 351.362 2.384 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCOc3cc(O)ccc3C1)c2=O ZINC000377123058 558271053 /nfs/dbraw/zinc/27/10/53/558271053.db2.gz MYNOZRNXFAFGPY-UHFFFAOYSA-N -1 1 351.362 2.384 20 0 FEADMM O=C(N[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1)C1CCC1 ZINC000377575502 558369439 /nfs/dbraw/zinc/36/94/39/558369439.db2.gz PLTWIJHQKBFIGF-LBPRGKRZSA-N -1 1 367.243 2.286 20 0 FEADMM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1c(F)ccc([O-])c1F ZINC000377841101 558432999 /nfs/dbraw/zinc/43/29/99/558432999.db2.gz YSMOIISKLZTXHE-UHFFFAOYSA-N -1 1 368.361 2.245 20 0 FEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)NCC(=O)c1ccccc1 ZINC000522831238 562204426 /nfs/dbraw/zinc/20/44/26/562204426.db2.gz QTNQVCKOIRMTAA-UHFFFAOYSA-N -1 1 371.340 2.292 20 0 FEADMM CC[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000377980162 558456947 /nfs/dbraw/zinc/45/69/47/558456947.db2.gz XTIGJZCNSPDXMG-DYESRHJHSA-N -1 1 370.449 2.427 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000377983851 558457582 /nfs/dbraw/zinc/45/75/82/558457582.db2.gz JAWUATRFAGYREA-HNNXBMFYSA-N -1 1 360.417 2.200 20 0 FEADMM O=C(N=c1[n-]nc(-c2ccsc2)s1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000377994048 558459198 /nfs/dbraw/zinc/45/91/98/558459198.db2.gz FWTNQLASSZUVIZ-VIFPVBQESA-N -1 1 361.456 2.796 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000378074924 558474942 /nfs/dbraw/zinc/47/49/42/558474942.db2.gz JWMCPZPUFFPLET-RDJZCZTQSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2)n1 ZINC000378479689 558566536 /nfs/dbraw/zinc/56/65/36/558566536.db2.gz CQMBKPZKLBBJFA-MRXNPFEDSA-N -1 1 373.390 2.175 20 0 FEADMM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000378517268 558573339 /nfs/dbraw/zinc/57/33/39/558573339.db2.gz IVJPSKWUDXFCTD-MRXNPFEDSA-N -1 1 355.394 2.412 20 0 FEADMM COC[C@H](NC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000398382053 558626805 /nfs/dbraw/zinc/62/68/05/558626805.db2.gz SYWFQAUEZLNAEK-NSHDSACASA-N -1 1 361.179 2.152 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)o2)CCCC[C@H]1O ZINC000408215965 558657492 /nfs/dbraw/zinc/65/74/92/558657492.db2.gz VHBWOVKGUUMAJN-SKDRFNHKSA-N -1 1 352.250 2.262 20 0 FEADMM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c(O)c2O1 ZINC000408410338 558674815 /nfs/dbraw/zinc/67/48/15/558674815.db2.gz OGOUMQVNCWXUTQ-LLVKDONJSA-N -1 1 359.382 2.214 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000410283878 558749691 /nfs/dbraw/zinc/74/96/91/558749691.db2.gz HCPKCUSFWNNVOB-MRVPVSSYSA-N -1 1 354.332 2.839 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1C(N)=O ZINC000410425396 558756663 /nfs/dbraw/zinc/75/66/63/558756663.db2.gz WGVQPMPAGNGLKU-UHFFFAOYSA-N -1 1 366.201 2.371 20 0 FEADMM COc1ccc(NC(=O)c2ccc(O)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000525956901 562260987 /nfs/dbraw/zinc/26/09/87/562260987.db2.gz FLLPMRVOLBWRBB-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000526032360 562264511 /nfs/dbraw/zinc/26/45/11/562264511.db2.gz OUIBDLRJQVBZKA-UHFFFAOYSA-N -1 1 357.801 2.091 20 0 FEADMM CN(C)C(=O)c1ccc(=NCCc2cnc(SC3CCCC3)nc2)[n-]n1 ZINC000413302733 559097199 /nfs/dbraw/zinc/09/71/99/559097199.db2.gz UNHALMHZIQGQQU-UHFFFAOYSA-N -1 1 372.498 2.658 20 0 FEADMM CN(C)C(=O)c1ccc(=NC[C@@H](Cc2ccccc2)C(F)(F)F)[n-]n1 ZINC000413314083 559097807 /nfs/dbraw/zinc/09/78/07/559097807.db2.gz STYQDRBDTHMLMM-CYBMUJFWSA-N -1 1 352.360 3.012 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000414372523 559159213 /nfs/dbraw/zinc/15/92/13/559159213.db2.gz PNDSTXOXWIYTRW-UHFFFAOYSA-N -1 1 368.377 2.145 20 0 FEADMM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000414412857 559162601 /nfs/dbraw/zinc/16/26/01/559162601.db2.gz RRZILKCWPRTBKZ-NSHDSACASA-N -1 1 357.410 2.258 20 0 FEADMM COc1ccc(CN[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1Cl ZINC000414651016 559177206 /nfs/dbraw/zinc/17/72/06/559177206.db2.gz GBNVQDHJRFVMIA-HIFRSBDPSA-N -1 1 354.834 2.148 20 0 FEADMM Cc1ccc(-c2n[nH]cc2CN[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000414661243 559177926 /nfs/dbraw/zinc/17/79/26/559177926.db2.gz QGFPNVSRNQKQRW-FUHWJXTLSA-N -1 1 370.453 2.185 20 0 FEADMM Cn1nc(C(F)F)c2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)sc21 ZINC000527168223 562278811 /nfs/dbraw/zinc/27/88/11/562278811.db2.gz ITZNPFHQRGICIR-SSDOTTSWSA-N -1 1 367.385 2.105 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)n1 ZINC000415628753 559256617 /nfs/dbraw/zinc/25/66/17/559256617.db2.gz JMJFDNNHCOURNP-NSHDSACASA-N -1 1 352.435 2.102 20 0 FEADMM CCOC(=O)c1c[nH]c(NC(=O)c2sc([C@H]3CCCOC3)nc2C)n1 ZINC000415648377 559257998 /nfs/dbraw/zinc/25/79/98/559257998.db2.gz OHPUHIKFDDAPAE-JTQLQIEISA-N -1 1 364.427 2.498 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc([C@H]3CCCOC3)nc2C)n1 ZINC000415648377 559258000 /nfs/dbraw/zinc/25/80/00/559258000.db2.gz OHPUHIKFDDAPAE-JTQLQIEISA-N -1 1 364.427 2.498 20 0 FEADMM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c1 ZINC000416204093 559298096 /nfs/dbraw/zinc/29/80/96/559298096.db2.gz NGYZSVLYGCGAIC-GWCFXTLKSA-N -1 1 359.382 2.128 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000416218315 559299028 /nfs/dbraw/zinc/29/90/28/559299028.db2.gz UPGHUOGESAVBOB-RXMQYKEDSA-N -1 1 374.216 2.211 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000416223120 559299518 /nfs/dbraw/zinc/29/95/18/559299518.db2.gz GLJBBEHBXLIVOC-WCBMZHEXSA-N -1 1 370.192 2.489 20 0 FEADMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1C ZINC000416518923 559319420 /nfs/dbraw/zinc/31/94/20/559319420.db2.gz UWJIEWGXMWCEBP-OAHLLOKOSA-N -1 1 355.406 2.464 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)ccc2OC)o1 ZINC000416542521 559320744 /nfs/dbraw/zinc/32/07/44/559320744.db2.gz AFIPEKITCAAHRG-LLVKDONJSA-N -1 1 353.396 2.423 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2nc3c(s2)CCC3)o1 ZINC000416544297 559320838 /nfs/dbraw/zinc/32/08/38/559320838.db2.gz ZDDARHCXFHVENC-VIFPVBQESA-N -1 1 370.452 2.441 20 0 FEADMM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)C2 ZINC000416545229 559320855 /nfs/dbraw/zinc/32/08/55/559320855.db2.gz JLZFIJQXBVBEDL-SNVBAGLBSA-N -1 1 372.240 2.496 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)o1 ZINC000416655700 559328010 /nfs/dbraw/zinc/32/80/10/559328010.db2.gz IFITUKAAHOHFHI-ZDUSSCGKSA-N -1 1 359.444 2.066 20 0 FEADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnn(CC(F)F)c2)cc1OC ZINC000417556467 559366757 /nfs/dbraw/zinc/36/67/57/559366757.db2.gz OTABPZCGLAOINU-CYBMUJFWSA-N -1 1 369.368 2.471 20 0 FEADMM C[C@@]1(O)C[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)C1 ZINC000419005048 559425295 /nfs/dbraw/zinc/42/52/95/559425295.db2.gz RMHNNARREIAELG-AITUWYQGSA-N -1 1 369.393 2.486 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)OC ZINC000420679384 559497417 /nfs/dbraw/zinc/49/74/17/559497417.db2.gz OZSLFQVCPROBDH-GFCCVEGCSA-N -1 1 359.835 2.234 20 0 FEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)s1 ZINC000420738904 559501620 /nfs/dbraw/zinc/50/16/20/559501620.db2.gz XPVHTAOKEDZMIC-UHFFFAOYSA-N -1 1 367.374 2.320 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000421147547 559526704 /nfs/dbraw/zinc/52/67/04/559526704.db2.gz CKNZAMBMJXKPOA-INIZCTEOSA-N -1 1 354.472 2.382 20 0 FEADMM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000421612193 559546542 /nfs/dbraw/zinc/54/65/42/559546542.db2.gz UQZZLATZDXNEHR-MGCOHNPYSA-N -1 1 355.232 2.176 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(F)F)c2ccccc2)o1 ZINC000422010902 559560508 /nfs/dbraw/zinc/56/05/08/559560508.db2.gz BXURGLVJEFUZKD-NSHDSACASA-N -1 1 358.366 2.314 20 0 FEADMM COC1([C@H](C)NC(=O)c2ccc(Br)cc2[O-])CCOCC1 ZINC000422077499 559563936 /nfs/dbraw/zinc/56/39/36/559563936.db2.gz LFNDEYMIYDGHJP-JTQLQIEISA-N -1 1 358.232 2.469 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000422585477 559596362 /nfs/dbraw/zinc/59/63/62/559596362.db2.gz CXZNBSBPSVSEOF-HUUCEWRRSA-N -1 1 350.484 2.246 20 0 FEADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1Cl ZINC000424063237 559653243 /nfs/dbraw/zinc/65/32/43/559653243.db2.gz IFCPCFZBPBDNAF-UHFFFAOYSA-N -1 1 360.863 2.210 20 0 FEADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ccn(CCC(F)(F)F)n2)C1 ZINC000424078137 559654056 /nfs/dbraw/zinc/65/40/56/559654056.db2.gz CVFASGOFJPELBC-PHIMTYICSA-N -1 1 354.398 2.470 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000424392491 559662862 /nfs/dbraw/zinc/66/28/62/559662862.db2.gz JTWGGMMYRCYRBS-GOEBONIOSA-N -1 1 353.438 2.475 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N2CCN(C)CC23CCCCC3)c1 ZINC000424694854 559673765 /nfs/dbraw/zinc/67/37/65/559673765.db2.gz LCAUIXKHWMOGIM-VWLOTQADSA-N -1 1 364.511 2.280 20 0 FEADMM COc1c(Br)ccc(C)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000424785176 559676579 /nfs/dbraw/zinc/67/65/79/559676579.db2.gz RUNLXIAZCGJOGM-SECBINFHSA-N -1 1 368.235 2.155 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(F)c1 ZINC000425219963 559691985 /nfs/dbraw/zinc/69/19/85/559691985.db2.gz UCQUJZMAHSJPTI-NEPJUHHUSA-N -1 1 360.426 2.199 20 0 FEADMM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)no1 ZINC000425229403 559692529 /nfs/dbraw/zinc/69/25/29/559692529.db2.gz HXLJOMJRLVBZCO-UHFFFAOYSA-N -1 1 374.365 2.261 20 0 FEADMM Cc1ccn(-c2ccccc2C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC000425301030 559695358 /nfs/dbraw/zinc/69/53/58/559695358.db2.gz LWTXIQVOIFCYSD-ZDUSSCGKSA-N -1 1 353.382 2.289 20 0 FEADMM O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425311702 559695918 /nfs/dbraw/zinc/69/59/18/559695918.db2.gz YIWPCXFXQMFJAE-VIFPVBQESA-N -1 1 358.329 2.188 20 0 FEADMM COc1cc(OC2CC2)ccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425321482 559696626 /nfs/dbraw/zinc/69/66/26/559696626.db2.gz MMGZFOIGYULWTK-UHFFFAOYSA-N -1 1 359.382 2.345 20 0 FEADMM CCO[C@H](C)c1nc(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cs1 ZINC000425320938 559696662 /nfs/dbraw/zinc/69/66/62/559696662.db2.gz MACNZANGJGWLDZ-SNVBAGLBSA-N -1 1 366.443 2.278 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)c2ncc(C)cc2[O-])N2CCOCC2)cc1 ZINC000426640954 559739436 /nfs/dbraw/zinc/73/94/36/559739436.db2.gz WLUSMBYOJRDJBD-QGZVFWFLSA-N -1 1 355.438 2.207 20 0 FEADMM COc1cc(NC(=O)CNC(=O)c2ncccc2[O-])ccc1C(F)(F)F ZINC000426927676 559744254 /nfs/dbraw/zinc/74/42/54/559744254.db2.gz DJSQVGXZHLIBJY-UHFFFAOYSA-N -1 1 369.299 2.183 20 0 FEADMM CC(C)n1cc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)nn1 ZINC000427043000 559746380 /nfs/dbraw/zinc/74/63/80/559746380.db2.gz AZPWQJKJTMXPHB-UHFFFAOYSA-N -1 1 366.834 2.271 20 0 FEADMM CC(C)n1cc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)nn1 ZINC000427043000 559746381 /nfs/dbraw/zinc/74/63/81/559746381.db2.gz AZPWQJKJTMXPHB-UHFFFAOYSA-N -1 1 366.834 2.271 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000427259673 559751624 /nfs/dbraw/zinc/75/16/24/559751624.db2.gz HPRWEJGWCQUKML-HNNXBMFYSA-N -1 1 353.422 2.378 20 0 FEADMM Cc1cnc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000427541379 559757633 /nfs/dbraw/zinc/75/76/33/559757633.db2.gz PVFIUEHNHMKZCR-GUYCJALGSA-N -1 1 361.348 2.076 20 0 FEADMM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000427695038 559760507 /nfs/dbraw/zinc/76/05/07/559760507.db2.gz KVBHOTGZKIRXSM-VIFPVBQESA-N -1 1 372.351 2.276 20 0 FEADMM CCOc1cc(C(=O)NCCN2CCO[C@H](CC)C2)cc(Cl)c1[O-] ZINC000427754128 559761641 /nfs/dbraw/zinc/76/16/41/559761641.db2.gz CTFOYRFEFFESCL-CYBMUJFWSA-N -1 1 356.850 2.285 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCSc2ccccc2)c1 ZINC000427904312 559765001 /nfs/dbraw/zinc/76/50/01/559765001.db2.gz MUQZVTDKKJGGKQ-UHFFFAOYSA-N -1 1 366.464 2.421 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 ZINC000428701162 559781491 /nfs/dbraw/zinc/78/14/91/559781491.db2.gz OFMODYUSVPHGLW-SNVBAGLBSA-N -1 1 358.423 2.211 20 0 FEADMM O=C(NCc1c(F)cc(F)c(F)c1F)c1nc2ccccc2c(=O)[n-]1 ZINC000429782026 559805557 /nfs/dbraw/zinc/80/55/57/559805557.db2.gz DELRPAHHRXXZRV-UHFFFAOYSA-N -1 1 351.259 2.410 20 0 FEADMM COc1cc2c(cc1S(=O)(=O)[N-]c1c(C)cccc1F)OCC(=O)N2 ZINC000430382769 559818962 /nfs/dbraw/zinc/81/89/62/559818962.db2.gz DPTQBSGASFNGNN-UHFFFAOYSA-N -1 1 366.370 2.274 20 0 FEADMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432198177 559854052 /nfs/dbraw/zinc/85/40/52/559854052.db2.gz KLQZDWIGSXDWHH-UHFFFAOYSA-N -1 1 371.418 2.031 20 0 FEADMM NC(=O)c1csc(=N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[n-]1 ZINC000432319272 559856300 /nfs/dbraw/zinc/85/63/00/559856300.db2.gz FLMOTPJKKRAYDL-VIFPVBQESA-N -1 1 372.372 2.831 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCCc2cccc3cccnc32)n1 ZINC000432659633 559862670 /nfs/dbraw/zinc/86/26/70/559862670.db2.gz VGVSSQVTZNRCMQ-UHFFFAOYSA-N -1 1 370.434 2.196 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2ccnc(C)c2Br)s1 ZINC000527361896 562286591 /nfs/dbraw/zinc/28/65/91/562286591.db2.gz KQULWUIGYAZUFV-UHFFFAOYSA-N -1 1 362.274 2.394 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cn1C ZINC000434969092 559913504 /nfs/dbraw/zinc/91/35/04/559913504.db2.gz PDMPSFIGZAVLQG-UHFFFAOYSA-N -1 1 360.395 2.003 20 0 FEADMM CCc1ccc(S(=O)(=O)NCCN2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC000435472164 559923855 /nfs/dbraw/zinc/92/38/55/559923855.db2.gz WFNXNSAHQHCVEO-UHFFFAOYSA-N -1 1 368.499 2.348 20 0 FEADMM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]CCF)c(Cl)c2o1 ZINC000435642405 559927170 /nfs/dbraw/zinc/92/71/70/559927170.db2.gz UNNYXQONQGVESU-UHFFFAOYSA-N -1 1 373.587 2.197 20 0 FEADMM O=C(CNC(=O)c1ccc(Cl)cc1[O-])N[C@H]1CCOc2ccccc21 ZINC000436522678 559944120 /nfs/dbraw/zinc/94/41/20/559944120.db2.gz WLUSVHBADFPYAO-AWEZNQCLSA-N -1 1 360.797 2.415 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)ccc1O ZINC000436528261 559944386 /nfs/dbraw/zinc/94/43/86/559944386.db2.gz WVRBDYDONLZNMD-UHFFFAOYSA-N -1 1 361.379 2.164 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc(F)ccc3[O-])C2=O)c1 ZINC000436569412 559945642 /nfs/dbraw/zinc/94/56/42/559945642.db2.gz DINRQRLUKPMHIT-INIZCTEOSA-N -1 1 374.368 2.084 20 0 FEADMM NS(=O)(=O)c1ccccc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436737932 559950583 /nfs/dbraw/zinc/95/05/83/559950583.db2.gz JZDDUBMRTFCNMU-UHFFFAOYSA-N -1 1 356.403 2.123 20 0 FEADMM CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436748498 559950718 /nfs/dbraw/zinc/95/07/18/559950718.db2.gz FXAUHHMECGIGBL-LBPRGKRZSA-N -1 1 372.462 2.054 20 0 FEADMM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000436744467 559950754 /nfs/dbraw/zinc/95/07/54/559950754.db2.gz MNURWQGCCYIWAW-LFPIHBKWSA-N -1 1 367.858 2.208 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c([O-])c1 ZINC000436748974 559950793 /nfs/dbraw/zinc/95/07/93/559950793.db2.gz WZDGNILXCUJOBK-UHFFFAOYSA-N -1 1 364.423 2.340 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(Cc2ncc[nH]2)CC1 ZINC000436754322 559951038 /nfs/dbraw/zinc/95/10/38/559951038.db2.gz YEEABZYWEGYSHA-UHFFFAOYSA-N -1 1 354.332 2.092 20 0 FEADMM C[C@]1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCC(=O)NC1 ZINC000436774840 559951731 /nfs/dbraw/zinc/95/17/31/559951731.db2.gz NVONTSHWMWWTET-FQEVSTJZSA-N -1 1 373.453 2.310 20 0 FEADMM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436782227 559951870 /nfs/dbraw/zinc/95/18/70/559951870.db2.gz MTKUXTHCIDIWOJ-GFCCVEGCSA-N -1 1 355.232 2.238 20 0 FEADMM COC(=O)C(C)(C)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436823916 559953239 /nfs/dbraw/zinc/95/32/39/559953239.db2.gz XTDGJHUCDIFAQN-UHFFFAOYSA-N -1 1 356.422 2.255 20 0 FEADMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc2[nH]ncc21 ZINC000436840811 559953855 /nfs/dbraw/zinc/95/38/55/559953855.db2.gz RTXWEQUJIYTUGN-UHFFFAOYSA-N -1 1 361.379 2.384 20 0 FEADMM NC(=O)COc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436853157 559954283 /nfs/dbraw/zinc/95/42/83/559954283.db2.gz BXTJLOWXTORBNJ-UHFFFAOYSA-N -1 1 365.183 2.271 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCCc3cccc(F)c32)c1 ZINC000436895502 559955706 /nfs/dbraw/zinc/95/57/06/559955706.db2.gz VIOMWOORUGPZNY-UHFFFAOYSA-N -1 1 351.355 2.371 20 0 FEADMM CN(CCN(C)C(=O)c1ccc(Br)cc1[O-])CC(F)F ZINC000436913019 559956266 /nfs/dbraw/zinc/95/62/66/559956266.db2.gz FUJRVOAXEWNECA-UHFFFAOYSA-N -1 1 351.191 2.424 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(OC)c(O)c1 ZINC000436915370 559956295 /nfs/dbraw/zinc/95/62/95/559956295.db2.gz OFOCLKNCOIKOPJ-OAHLLOKOSA-N -1 1 365.769 2.404 20 0 FEADMM COc1cc2c(cc1OC)CN(CCNC(=O)c1c([O-])cccc1F)CC2 ZINC000436948497 559957192 /nfs/dbraw/zinc/95/71/92/559957192.db2.gz OVRNEIHZTYXOKR-UHFFFAOYSA-N -1 1 374.412 2.337 20 0 FEADMM NC(=O)c1cccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436986757 559958652 /nfs/dbraw/zinc/95/86/52/559958652.db2.gz HUIMGXGYBAEVTM-UHFFFAOYSA-N -1 1 357.757 2.182 20 0 FEADMM NC(=O)c1cccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC000436986757 559958653 /nfs/dbraw/zinc/95/86/53/559958653.db2.gz HUIMGXGYBAEVTM-UHFFFAOYSA-N -1 1 357.757 2.182 20 0 FEADMM O=C(C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1)c1ccc([O-])cc1 ZINC000436991836 559958801 /nfs/dbraw/zinc/95/88/01/559958801.db2.gz UTPCYXIBTUIHSG-QGZVFWFLSA-N -1 1 370.449 2.216 20 0 FEADMM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436991218 559958848 /nfs/dbraw/zinc/95/88/48/559958848.db2.gz QUIGZAOXMZTPMV-UHFFFAOYSA-N -1 1 363.316 2.055 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H](C)c1ccc(Br)s1 ZINC000436990347 559958860 /nfs/dbraw/zinc/95/88/60/559958860.db2.gz PCPBDUJXSDZWPO-RXMQYKEDSA-N -1 1 366.262 2.429 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccc(Br)s1 ZINC000436990347 559958861 /nfs/dbraw/zinc/95/88/61/559958861.db2.gz PCPBDUJXSDZWPO-RXMQYKEDSA-N -1 1 366.262 2.429 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccc([O-])cc1 ZINC000437002079 559959097 /nfs/dbraw/zinc/95/90/97/559959097.db2.gz QPCCPLCNTWTTDS-GFCCVEGCSA-N -1 1 358.781 2.150 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)[C@@H](O)Cc3ccccc3)cnc2n1 ZINC000438357579 559977852 /nfs/dbraw/zinc/97/78/52/559977852.db2.gz LTENWIQKHBGYFR-DYVFJYSZSA-N -1 1 351.406 2.366 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1)c2=O ZINC000438357579 559977853 /nfs/dbraw/zinc/97/78/53/559977853.db2.gz LTENWIQKHBGYFR-DYVFJYSZSA-N -1 1 351.406 2.366 20 0 FEADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000438723673 559982839 /nfs/dbraw/zinc/98/28/39/559982839.db2.gz MDLOSXPENYQRLZ-UHFFFAOYSA-N -1 1 374.418 2.250 20 0 FEADMM COc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1-n1nnnc1C1CC1 ZINC000439055025 559987840 /nfs/dbraw/zinc/98/78/40/559987840.db2.gz HHJGZVOAWGCNKF-UHFFFAOYSA-N -1 1 367.365 2.212 20 0 FEADMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000439062923 559988043 /nfs/dbraw/zinc/98/80/43/559988043.db2.gz ZCEVPCOLSVGAMX-LLVKDONJSA-N -1 1 372.377 2.032 20 0 FEADMM COCc1cc(Oc2ccc([N-]S(C)(=O)=O)nc2)nc(C(C)(C)C)n1 ZINC000439130608 559988877 /nfs/dbraw/zinc/98/88/77/559988877.db2.gz UABXNMVXTUWDEC-UHFFFAOYSA-N -1 1 366.443 2.479 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCCO1 ZINC000439499741 559995982 /nfs/dbraw/zinc/99/59/82/559995982.db2.gz ADBNRTQKHLOSFG-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM CC(C)(C)c1ccc(C(C)(C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000440130905 560005205 /nfs/dbraw/zinc/00/52/05/560005205.db2.gz GZSGEXRJLCTPJB-UHFFFAOYSA-N -1 1 364.471 2.422 20 0 FEADMM CC(C)(C)c1ccc(C(C)(C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000440130905 560005206 /nfs/dbraw/zinc/00/52/06/560005206.db2.gz GZSGEXRJLCTPJB-UHFFFAOYSA-N -1 1 364.471 2.422 20 0 FEADMM CO[C@@H]1CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)[C@@H](C)C1 ZINC000442901805 560061647 /nfs/dbraw/zinc/06/16/47/560061647.db2.gz UYFJVRQLURZRJQ-SWLSCSKDSA-N -1 1 356.426 2.121 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCC(C)C ZINC000443066298 560068904 /nfs/dbraw/zinc/06/89/04/560068904.db2.gz GXJJEBINHIYOIW-OCCSQVGLSA-N -1 1 357.476 2.470 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](c1ccccc1C)C1CC1 ZINC000443090800 560070330 /nfs/dbraw/zinc/07/03/30/560070330.db2.gz XCPWAUHGEMBVQV-HNNXBMFYSA-N -1 1 363.439 2.324 20 0 FEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(F)(F)F ZINC000443934303 560096680 /nfs/dbraw/zinc/09/66/80/560096680.db2.gz JPWRAWJLZGYKHX-HOSYDEDBSA-N -1 1 355.382 2.100 20 0 FEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)Cc2ccccc2C)(C(=O)OC)C1(C)C ZINC000444275151 560107799 /nfs/dbraw/zinc/10/77/99/560107799.db2.gz AXUGYURNBCPHOU-MAUKXSAKSA-N -1 1 369.483 2.161 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCCC(F)(F)F)CC2)n1 ZINC000444756294 560119967 /nfs/dbraw/zinc/11/99/67/560119967.db2.gz FMLMRKMXQUXEMK-UHFFFAOYSA-N -1 1 362.352 2.420 20 0 FEADMM CCCCNC(=O)CCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447478545 560162995 /nfs/dbraw/zinc/16/29/95/560162995.db2.gz FKSAMCKFZCCXGY-UHFFFAOYSA-N -1 1 353.419 2.296 20 0 FEADMM CCCCNC(=O)CCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447478545 560162996 /nfs/dbraw/zinc/16/29/96/560162996.db2.gz FKSAMCKFZCCXGY-UHFFFAOYSA-N -1 1 353.419 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3[C@@H](C)C3(F)F)c2)n1 ZINC000447679072 560166718 /nfs/dbraw/zinc/16/67/18/560166718.db2.gz MMLKTVSZZIEECX-BXKDBHETSA-N -1 1 364.352 2.166 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3C[C@@H]3C3CC3)c2)n1 ZINC000447679010 560166781 /nfs/dbraw/zinc/16/67/81/560166781.db2.gz BSYUQOLMRWQIIB-HUUCEWRRSA-N -1 1 354.410 2.311 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC[C@H]3CCCO3)c2)n1 ZINC000447682087 560166949 /nfs/dbraw/zinc/16/69/49/560166949.db2.gz VKTQSPJZQMTQRY-OAHLLOKOSA-N -1 1 372.425 2.224 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CCCS3)c2)n1 ZINC000447683906 560167043 /nfs/dbraw/zinc/16/70/43/560167043.db2.gz VCAKZCCIMJADEH-CYBMUJFWSA-N -1 1 360.439 2.160 20 0 FEADMM CCOC(=O)c1cc(C(=O)[N-]c2nc(C)c(C(=O)OCC)s2)on1 ZINC000449235693 560221247 /nfs/dbraw/zinc/22/12/47/560221247.db2.gz VLCVPKCLGDVAME-UHFFFAOYSA-N -1 1 353.356 2.045 20 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AROOQKSCWAVTQV-UHFFFAOYSA-N -1 1 357.403 2.293 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2sccc2Cl)no1 ZINC000451567727 560315257 /nfs/dbraw/zinc/31/52/57/560315257.db2.gz LUOXQZFRJRDYBP-SSDOTTSWSA-N -1 1 351.837 2.361 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(F)F ZINC000451627192 560318006 /nfs/dbraw/zinc/31/80/06/560318006.db2.gz XJGSVDTZNFDYKA-GFCCVEGCSA-N -1 1 366.817 2.128 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H](O)C(F)F ZINC000451709761 560323807 /nfs/dbraw/zinc/32/38/07/560323807.db2.gz KRRUWHQJUSWSIY-ZYHUDNBSSA-N -1 1 362.423 2.493 20 0 FEADMM CCN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1=O ZINC000451874022 560333687 /nfs/dbraw/zinc/33/36/87/560333687.db2.gz XHQDRVCATINUIR-MRVPVSSYSA-N -1 1 370.780 2.258 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H](C)O ZINC000451896380 560335478 /nfs/dbraw/zinc/33/54/78/560335478.db2.gz SBELEBBAVZNACF-LHLIQPBNSA-N -1 1 358.204 2.165 20 0 FEADMM O=C(N=c1[n-]c(Cc2ccc(F)cc2)no1)c1[nH]nc2c1CCCCC2 ZINC000452153992 560353959 /nfs/dbraw/zinc/35/39/59/560353959.db2.gz UOJKRIPVEXZGMW-UHFFFAOYSA-N -1 1 355.373 2.466 20 0 FEADMM C[C@H]1[C@H](O)CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000452708001 560371823 /nfs/dbraw/zinc/37/18/23/560371823.db2.gz KWXMASNKEOWRLP-KBXCAEBGSA-N -1 1 374.462 2.473 20 0 FEADMM CC(C)Cc1n[n-]c(=NC(=O)NC[C@H](c2nc[nH]n2)c2ccccc2)s1 ZINC000454223097 560435186 /nfs/dbraw/zinc/43/51/86/560435186.db2.gz JZLCNIZETUJVHE-ZDUSSCGKSA-N -1 1 371.470 2.808 20 0 FEADMM CCC(C)(C)OCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000454900502 560462776 /nfs/dbraw/zinc/46/27/76/560462776.db2.gz UHGNHKPCUCLFNR-UHFFFAOYSA-N -1 1 373.475 2.393 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H](C)O ZINC000456185581 560510066 /nfs/dbraw/zinc/51/00/66/560510066.db2.gz HOGOEKDGCCRHOW-CXAGYDPISA-N -1 1 362.451 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)co1 ZINC000456556252 560524220 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Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C1CCC(CO)CC1 ZINC000469960130 560969968 /nfs/dbraw/zinc/96/99/68/560969968.db2.gz URCUKQLUOGGDKH-UHFFFAOYSA-N -1 1 370.453 2.105 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)ccc1OC ZINC000469974744 560970277 /nfs/dbraw/zinc/97/02/77/560970277.db2.gz RLXRYNAYIGUGOD-UHFFFAOYSA-N -1 1 353.400 2.129 20 0 FEADMM O=S(=O)(CCCN=c1nc(C(F)(F)F)[n-]s1)Cc1ccccc1 ZINC000470039252 560972600 /nfs/dbraw/zinc/97/26/00/560972600.db2.gz SDQZYOCQWACVBU-UHFFFAOYSA-N -1 1 365.402 2.396 20 0 FEADMM CCOc1ccc(Nc2ncccc2C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470981223 560995926 /nfs/dbraw/zinc/99/59/26/560995926.db2.gz BKFJSXAFMVNBKM-UHFFFAOYSA-N -1 1 365.397 2.156 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)ccc1F ZINC000471605584 561008485 /nfs/dbraw/zinc/00/84/85/561008485.db2.gz IITXTSYOWWDZFU-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCSc1ccc(Cl)cc1 ZINC000473284751 561046497 /nfs/dbraw/zinc/04/64/97/561046497.db2.gz SAADSSSSZAKPNC-UHFFFAOYSA-N -1 1 355.803 2.072 20 0 FEADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000473433117 561050019 /nfs/dbraw/zinc/05/00/19/561050019.db2.gz HLWJJVSGCNRBFP-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1=O ZINC000473852792 561059077 /nfs/dbraw/zinc/05/90/77/561059077.db2.gz GFDRGJYEUWTMFL-QMMMGPOBSA-N -1 1 355.218 2.032 20 0 FEADMM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473939503 561061382 /nfs/dbraw/zinc/06/13/82/561061382.db2.gz IYNAPHQMYXHKKO-APPZFPTMSA-N -1 1 369.245 2.326 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000474343911 561071767 /nfs/dbraw/zinc/07/17/67/561071767.db2.gz FRVVTPHEINVJRK-MRVPVSSYSA-N -1 1 361.427 2.194 20 0 FEADMM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccc4n[nH]nc4c3)c1)CCCC2 ZINC000474413884 561073527 /nfs/dbraw/zinc/07/35/27/561073527.db2.gz PSCPTUNDXLMKRI-UHFFFAOYSA-N -1 1 372.406 2.336 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000474431887 561073944 /nfs/dbraw/zinc/07/39/44/561073944.db2.gz LQJJYFNGWXRAEF-UHFFFAOYSA-N -1 1 356.429 2.111 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCOc1ccc(F)cc1F ZINC000474590614 561077742 /nfs/dbraw/zinc/07/77/42/561077742.db2.gz XDSCZIUFLWATPO-UHFFFAOYSA-N -1 1 355.366 2.300 20 0 FEADMM CCC(=O)c1ccc(OCCCCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477040375 561134976 /nfs/dbraw/zinc/13/49/76/561134976.db2.gz PGPQUISUGNNQAI-UHFFFAOYSA-N -1 1 357.414 2.147 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000528994696 562355766 /nfs/dbraw/zinc/35/57/66/562355766.db2.gz DIGQFNDNKTXAJS-DDIVZENXSA-N -1 1 371.459 2.000 20 0 FEADMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)n1[C@@H]1CCOC1 ZINC000530261703 562404555 /nfs/dbraw/zinc/40/45/55/562404555.db2.gz DZYQIQVKABYDFW-NVXWUHKLSA-N -1 1 366.425 2.099 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)NCC(C)(C)C(=O)N3CCCC3)c2=O)[nH+]1 ZINC000530275770 562405061 /nfs/dbraw/zinc/40/50/61/562405061.db2.gz IIBRRYCCCWTJTD-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC(C)(C)C(=O)N1CCCC1)c2=O ZINC000530275770 562405063 /nfs/dbraw/zinc/40/50/63/562405063.db2.gz IIBRRYCCCWTJTD-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nc(-c2ccncc2)no1 ZINC000530517368 562414365 /nfs/dbraw/zinc/41/43/65/562414365.db2.gz OSVSYJLLYXJRPT-UHFFFAOYSA-N -1 1 364.814 2.405 20 0 FEADMM COc1ccc(NC(=O)NCc2ccc(O)cc2)cc1[N-]S(C)(=O)=O ZINC000530863689 562426753 /nfs/dbraw/zinc/42/67/53/562426753.db2.gz LRNPCXJLABSBCI-UHFFFAOYSA-N -1 1 365.411 2.094 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2cnccn2)no1 ZINC000530993024 562431159 /nfs/dbraw/zinc/43/11/59/562431159.db2.gz KYNOBTLGSCWEMG-UHFFFAOYSA-N -1 1 361.365 2.178 20 0 FEADMM O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000531824194 562457965 /nfs/dbraw/zinc/45/79/65/562457965.db2.gz OLODBDWMXMMFIM-UHFFFAOYSA-N -1 1 351.811 2.305 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc2c1OCCCO2 ZINC000532464096 562478848 /nfs/dbraw/zinc/47/88/48/562478848.db2.gz HALSFKZIGSFNMD-UHFFFAOYSA-N -1 1 361.423 2.304 20 0 FEADMM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc21 ZINC000532620935 562483353 /nfs/dbraw/zinc/48/33/53/562483353.db2.gz KFSJARUEUZGUQK-UHFFFAOYSA-N -1 1 350.371 2.106 20 0 FEADMM CN(C)CCN(CC(=O)[O-])C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000532675769 562485308 /nfs/dbraw/zinc/48/53/08/562485308.db2.gz FJXCWXFHABRFEQ-UHFFFAOYSA-N -1 1 356.422 2.278 20 0 FEADMM O=C([O-])C1(NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCCC1 ZINC000532711890 562486248 /nfs/dbraw/zinc/48/62/48/562486248.db2.gz OSLXCZDOGFZXMC-OAHLLOKOSA-N -1 1 374.437 2.108 20 0 FEADMM O=C([O-])C1(NCC(=O)N[C@@H](c2nccs2)c2ccccc2)CCCC1 ZINC000532881155 562491521 /nfs/dbraw/zinc/49/15/21/562491521.db2.gz QYSHMIFOSNXUOF-OAHLLOKOSA-N -1 1 359.451 2.336 20 0 FEADMM CC(C)c1ccc(OCCNC(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000533202915 562501334 /nfs/dbraw/zinc/50/13/34/562501334.db2.gz WPKULFFVPJAFBS-MRXNPFEDSA-N -1 1 362.470 2.492 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000533843243 562519649 /nfs/dbraw/zinc/51/96/49/562519649.db2.gz ONFBZAHGOMINFK-UHFFFAOYSA-N -1 1 357.805 2.238 20 0 FEADMM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1ccc(F)c(F)c1F ZINC000534404891 562533603 /nfs/dbraw/zinc/53/36/03/562533603.db2.gz JVSLXMUZDUODHV-UHFFFAOYSA-N -1 1 357.357 2.292 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)c[nH]1 ZINC000535514426 562560192 /nfs/dbraw/zinc/56/01/92/562560192.db2.gz RRYXCLICUQXKAR-UHFFFAOYSA-N -1 1 360.395 2.301 20 0 FEADMM N=c1nc(N2CCN(Cc3ccc(F)cc3Br)CC2)s[n-]1 ZINC000535825625 562568976 /nfs/dbraw/zinc/56/89/76/562568976.db2.gz IQDUBNCVQXSCKA-UHFFFAOYSA-N -1 1 372.267 2.344 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)co1 ZINC000535879514 562570204 /nfs/dbraw/zinc/57/02/04/562570204.db2.gz HGPRHWVDUXUGCV-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000541892944 562622396 /nfs/dbraw/zinc/62/23/96/562622396.db2.gz BXXVVKYJJFKBOU-XJKSGUPXSA-N -1 1 370.453 2.417 20 0 FEADMM Cc1ccnc(-c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)c1 ZINC000545586322 562629243 /nfs/dbraw/zinc/62/92/43/562629243.db2.gz RIEAXLZRXQBCTE-UHFFFAOYSA-N -1 1 360.377 2.485 20 0 FEADMM O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000549728784 562638637 /nfs/dbraw/zinc/63/86/37/562638637.db2.gz QQQVUKXVSKAQSR-OAHLLOKOSA-N -1 1 366.377 2.354 20 0 FEADMM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000601739002 567822258 /nfs/dbraw/zinc/82/22/58/567822258.db2.gz JALZJEFVLUZFGN-BONVTDFDSA-N -1 1 361.316 2.204 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CCSC)co1 ZINC000601718043 567824771 /nfs/dbraw/zinc/82/47/71/567824771.db2.gz VPIXYUBYYPKTDK-UHFFFAOYSA-N -1 1 354.453 2.346 20 0 FEADMM COC(=O)c1cc(C2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)no1 ZINC000601893501 567875275 /nfs/dbraw/zinc/87/52/75/567875275.db2.gz LNTMPBZHWRGOBV-UHFFFAOYSA-N -1 1 366.320 2.465 20 0 FEADMM C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000669120240 568055371 /nfs/dbraw/zinc/05/53/71/568055371.db2.gz RYVMRMOMWJZAQV-FZMZJTMJSA-N -1 1 364.396 2.268 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@]2(C)CCc3ccccc3C2)n[n-]1 ZINC000603156173 568068700 /nfs/dbraw/zinc/06/87/00/568068700.db2.gz QWTPVKGNQCHQRV-HXPMCKFVSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@]2(C)CCc3ccccc3C2)[n-]1 ZINC000603156173 568068701 /nfs/dbraw/zinc/06/87/01/568068701.db2.gz QWTPVKGNQCHQRV-HXPMCKFVSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@]2(C)CCc3ccccc3C2)n1 ZINC000603156173 568068702 /nfs/dbraw/zinc/06/87/02/568068702.db2.gz QWTPVKGNQCHQRV-HXPMCKFVSA-N -1 1 356.426 2.354 20 0 FEADMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000563136280 568275339 /nfs/dbraw/zinc/27/53/39/568275339.db2.gz RCYPGFVFKKVPRU-OAHLLOKOSA-N -1 1 357.428 2.340 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1CCSCC1 ZINC000737547211 598823159 /nfs/dbraw/zinc/82/31/59/598823159.db2.gz IKAKNPJFVZWYFP-UHFFFAOYSA-N -1 1 372.454 2.432 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1CCSCC1 ZINC000737547211 598823160 /nfs/dbraw/zinc/82/31/60/598823160.db2.gz IKAKNPJFVZWYFP-UHFFFAOYSA-N -1 1 372.454 2.432 20 0 FEADMM C[C@H](CCO)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735985510 598905970 /nfs/dbraw/zinc/90/59/70/598905970.db2.gz GTXPDTOBWCPJAE-LLVKDONJSA-N -1 1 372.454 2.165 20 0 FEADMM CN(CCOc1ccc(F)cc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736801268 598935165 /nfs/dbraw/zinc/93/51/65/598935165.db2.gz GUZQEQXERLVCSI-UHFFFAOYSA-N -1 1 365.372 2.464 20 0 FEADMM CN(CCOc1ccc(F)cc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736801268 598935166 /nfs/dbraw/zinc/93/51/66/598935166.db2.gz GUZQEQXERLVCSI-UHFFFAOYSA-N -1 1 365.372 2.464 20 0 FEADMM CC(C)(C)c1nc(Sc2c3ccccc3nnc2-c2nn[n-]n2)n[nH]1 ZINC000735654280 598955403 /nfs/dbraw/zinc/95/54/03/598955403.db2.gz CPJXEWGDAIZENR-UHFFFAOYSA-N -1 1 353.415 2.377 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738380122 598962493 /nfs/dbraw/zinc/96/24/93/598962493.db2.gz AEMXRCNGKGEOIR-CQSZACIVSA-N -1 1 351.345 2.095 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738380122 598962494 /nfs/dbraw/zinc/96/24/94/598962494.db2.gz AEMXRCNGKGEOIR-CQSZACIVSA-N -1 1 351.345 2.095 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736292545 598970533 /nfs/dbraw/zinc/97/05/33/598970533.db2.gz KLAVSRUZIOJSQC-VXGBXAGGSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736292545 598970534 /nfs/dbraw/zinc/97/05/34/598970534.db2.gz KLAVSRUZIOJSQC-VXGBXAGGSA-N -1 1 359.434 2.001 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)CC(F)(F)F ZINC000738257775 598984434 /nfs/dbraw/zinc/98/44/34/598984434.db2.gz DDRWHFWOLTUPLC-UHFFFAOYSA-N -1 1 352.276 2.059 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)CC(F)(F)F ZINC000738257775 598984435 /nfs/dbraw/zinc/98/44/35/598984435.db2.gz DDRWHFWOLTUPLC-UHFFFAOYSA-N -1 1 352.276 2.059 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737503824 598985401 /nfs/dbraw/zinc/98/54/01/598985401.db2.gz LVHFTRCVALFUFY-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737503824 598985403 /nfs/dbraw/zinc/98/54/03/598985403.db2.gz LVHFTRCVALFUFY-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172502 598994910 /nfs/dbraw/zinc/99/49/10/598994910.db2.gz NFUKSUQCYDFTMO-OAHLLOKOSA-N -1 1 366.381 2.072 20 0 FEADMM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172502 598994912 /nfs/dbraw/zinc/99/49/12/598994912.db2.gz NFUKSUQCYDFTMO-OAHLLOKOSA-N -1 1 366.381 2.072 20 0 FEADMM Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737432426 598995774 /nfs/dbraw/zinc/99/57/74/598995774.db2.gz XWSPFJUSXUPHFX-UHFFFAOYSA-N -1 1 352.398 2.111 20 0 FEADMM Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737432426 598995775 /nfs/dbraw/zinc/99/57/75/598995775.db2.gz XWSPFJUSXUPHFX-UHFFFAOYSA-N -1 1 352.398 2.111 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737388118 598997785 /nfs/dbraw/zinc/99/77/85/598997785.db2.gz BBBNYNUHGBZXKS-CYBMUJFWSA-N -1 1 352.398 2.076 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737388118 598997787 /nfs/dbraw/zinc/99/77/87/598997787.db2.gz BBBNYNUHGBZXKS-CYBMUJFWSA-N -1 1 352.398 2.076 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)Cc1ccco1 ZINC000738257676 599021297 /nfs/dbraw/zinc/02/12/97/599021297.db2.gz BXPMBHLIHNYYGN-UHFFFAOYSA-N -1 1 350.338 2.290 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)Cc1ccco1 ZINC000738257676 599021300 /nfs/dbraw/zinc/02/13/00/599021300.db2.gz BXPMBHLIHNYYGN-UHFFFAOYSA-N -1 1 350.338 2.290 20 0 FEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc2c(c1)NC(=O)CO2 ZINC000736164382 599026798 /nfs/dbraw/zinc/02/67/98/599026798.db2.gz NYNJPORAALACQF-QMMMGPOBSA-N -1 1 371.378 2.177 20 0 FEADMM CN(C1CCCCCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736777829 599033440 /nfs/dbraw/zinc/03/34/40/599033440.db2.gz DDOJLKPEYWPRHK-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM CN(C1CCCCCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736777829 599033442 /nfs/dbraw/zinc/03/34/42/599033442.db2.gz DDOJLKPEYWPRHK-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@@H]2CCCO[C@H]21 ZINC000820583749 599041069 /nfs/dbraw/zinc/04/10/69/599041069.db2.gz FDIMPPKEGUMYMA-JCURWCKSSA-N -1 1 350.426 2.452 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@@H]2CCCO[C@H]21 ZINC000820583749 599041072 /nfs/dbraw/zinc/04/10/72/599041072.db2.gz FDIMPPKEGUMYMA-JCURWCKSSA-N -1 1 350.426 2.452 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-c2nn[nH]n2)c1)c1cc(F)c(F)c(F)c1 ZINC000738342911 599098654 /nfs/dbraw/zinc/09/86/54/599098654.db2.gz SLECFXMGQUPWQK-UHFFFAOYSA-N -1 1 373.291 2.224 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1 ZINC000735706437 599105018 /nfs/dbraw/zinc/10/50/18/599105018.db2.gz AKMGDZZZQIYMJV-MRXNPFEDSA-N -1 1 351.414 2.128 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1 ZINC000735706437 599105020 /nfs/dbraw/zinc/10/50/20/599105020.db2.gz AKMGDZZZQIYMJV-MRXNPFEDSA-N -1 1 351.414 2.128 20 0 FEADMM CC(C)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820038084 599343904 /nfs/dbraw/zinc/34/39/04/599343904.db2.gz KJWAXJMEEYXXJU-GFCCVEGCSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820038084 599343907 /nfs/dbraw/zinc/34/39/07/599343907.db2.gz KJWAXJMEEYXXJU-GFCCVEGCSA-N -1 1 353.423 2.205 20 0 FEADMM COc1cc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1SC ZINC000737046510 599134872 /nfs/dbraw/zinc/13/48/72/599134872.db2.gz DQFJBFQVQQACND-UHFFFAOYSA-N -1 1 357.395 2.349 20 0 FEADMM COc1cc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1SC ZINC000737046510 599134875 /nfs/dbraw/zinc/13/48/75/599134875.db2.gz DQFJBFQVQQACND-UHFFFAOYSA-N -1 1 357.395 2.349 20 0 FEADMM CCc1ccc(CC)c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736681550 599134960 /nfs/dbraw/zinc/13/49/60/599134960.db2.gz ARFOYBUNPLNCCN-UHFFFAOYSA-N -1 1 365.393 2.426 20 0 FEADMM CCc1ccc(CC)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736681550 599134961 /nfs/dbraw/zinc/13/49/61/599134961.db2.gz ARFOYBUNPLNCCN-UHFFFAOYSA-N -1 1 365.393 2.426 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000821677110 599205326 /nfs/dbraw/zinc/20/53/26/599205326.db2.gz OXIIMYLKCBDPSY-CQSZACIVSA-N -1 1 358.789 2.033 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000821677110 599205328 /nfs/dbraw/zinc/20/53/28/599205328.db2.gz OXIIMYLKCBDPSY-CQSZACIVSA-N -1 1 358.789 2.033 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)C2CC2)cc1 ZINC000818583046 597084062 /nfs/dbraw/zinc/08/40/62/597084062.db2.gz PDDNQPITPSKMJZ-VLIAUNLRSA-N -1 1 360.454 2.449 20 0 FEADMM CC1CCN([C@H](CNC(=O)CSCC(=O)[O-])c2cccs2)CC1 ZINC000551868479 597084601 /nfs/dbraw/zinc/08/46/01/597084601.db2.gz JNXXVWZQUUMGSG-CYBMUJFWSA-N -1 1 356.513 2.455 20 0 FEADMM Cc1c(CN2CCSCC2)cccc1NC(=O)CSCC(=O)[O-] ZINC000740047005 597090707 /nfs/dbraw/zinc/09/07/07/597090707.db2.gz DVWCQZBSRBFGHS-UHFFFAOYSA-N -1 1 354.497 2.300 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000392098527 597312753 /nfs/dbraw/zinc/31/27/53/597312753.db2.gz XWVWUBJWMLAYBY-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM CCCN(C[C@@H]1COc2ccccc2O1)c1cccc(-c2nnn[n-]2)n1 ZINC000821094402 607303631 /nfs/dbraw/zinc/30/36/31/607303631.db2.gz IMWXREXBUBGMMZ-CYBMUJFWSA-N -1 1 352.398 2.318 20 0 FEADMM CCCN(C[C@@H]1COc2ccccc2O1)c1cccc(-c2nn[n-]n2)n1 ZINC000821094402 607303632 /nfs/dbraw/zinc/30/36/32/607303632.db2.gz IMWXREXBUBGMMZ-CYBMUJFWSA-N -1 1 352.398 2.318 20 0 FEADMM OC[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)Cc1ccco1 ZINC000738391577 599266280 /nfs/dbraw/zinc/26/62/80/599266280.db2.gz YDEYIUAKCJSVPV-GFCCVEGCSA-N -1 1 350.382 2.271 20 0 FEADMM OC[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)Cc1ccco1 ZINC000738391577 599266282 /nfs/dbraw/zinc/26/62/82/599266282.db2.gz YDEYIUAKCJSVPV-GFCCVEGCSA-N -1 1 350.382 2.271 20 0 FEADMM CC(C)[C@@H](NCC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000035391669 598189386 /nfs/dbraw/zinc/18/93/86/598189386.db2.gz CPADLWZCLOOVQN-IINYFYTJSA-N -1 1 357.248 2.325 20 0 FEADMM Cc1cc(Cl)cc(C)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737262820 598259508 /nfs/dbraw/zinc/25/95/08/598259508.db2.gz GJMZAGVRVTZVQF-UHFFFAOYSA-N -1 1 365.802 2.300 20 0 FEADMM Cc1cc(Cl)cc(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737262820 598259510 /nfs/dbraw/zinc/25/95/10/598259510.db2.gz GJMZAGVRVTZVQF-UHFFFAOYSA-N -1 1 365.802 2.300 20 0 FEADMM CCOCc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736625710 598330527 /nfs/dbraw/zinc/33/05/27/598330527.db2.gz LAGMSDJGBFOBPF-UHFFFAOYSA-N -1 1 359.411 2.204 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(-c4ccncc4)n[nH]3)cn21 ZINC000557075747 674435006 /nfs/dbraw/zinc/43/50/06/674435006.db2.gz XJHZGBVGNKNOMW-LLVKDONJSA-N -1 1 358.427 2.366 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C[C@H]1CCCOC1 ZINC000737547417 598466941 /nfs/dbraw/zinc/46/69/41/598466941.db2.gz JASZZZQIOXEDHN-CYBMUJFWSA-N -1 1 370.413 2.057 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C[C@H]1CCCOC1 ZINC000737547417 598466942 /nfs/dbraw/zinc/46/69/42/598466942.db2.gz JASZZZQIOXEDHN-CYBMUJFWSA-N -1 1 370.413 2.057 20 0 FEADMM CCc1cccc(OCCn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)c1 ZINC000736701157 598643109 /nfs/dbraw/zinc/64/31/09/598643109.db2.gz WMKVSWAUOVBLQX-UHFFFAOYSA-N -1 1 368.441 2.190 20 0 FEADMM CC(C)c1nnc2n1C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000735952606 598671071 /nfs/dbraw/zinc/67/10/71/598671071.db2.gz IFYVDYLOHVEIPN-ZETCQYMHSA-N -1 1 365.854 2.118 20 0 FEADMM CC(C)c1nnc2n1C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000735952606 598671073 /nfs/dbraw/zinc/67/10/73/598671073.db2.gz IFYVDYLOHVEIPN-ZETCQYMHSA-N -1 1 365.854 2.118 20 0 FEADMM CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736556138 598688258 /nfs/dbraw/zinc/68/82/58/598688258.db2.gz NFIXZJGBTCDSRA-UHFFFAOYSA-N -1 1 367.431 2.278 20 0 FEADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737356143 598719362 /nfs/dbraw/zinc/71/93/62/598719362.db2.gz DRFMDBQQEXNVIQ-UHFFFAOYSA-N -1 1 360.377 2.129 20 0 FEADMM Clc1nsc(NCc2ccc(-n3cncn3)cc2)c1-c1nnn[n-]1 ZINC000737582422 598744863 /nfs/dbraw/zinc/74/48/63/598744863.db2.gz ACIMKQOUFYQOSW-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM Clc1nsc(NCc2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000737582422 598744864 /nfs/dbraw/zinc/74/48/64/598744864.db2.gz ACIMKQOUFYQOSW-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM O=C(OCc1ccc(Br)cn1)c1sccc1-c1nn[n-]n1 ZINC000738230690 598759757 /nfs/dbraw/zinc/75/97/57/598759757.db2.gz IIVIEYVQMFPIFG-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1cc(F)cc(Cl)c1 ZINC000808121510 674442546 /nfs/dbraw/zinc/44/25/46/674442546.db2.gz PZJXXOKQCXPJLR-UHFFFAOYSA-N -1 1 357.790 2.498 20 0 FEADMM C[C@@H]1[C@H](C)SCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820819797 599344904 /nfs/dbraw/zinc/34/49/04/599344904.db2.gz LCIJWGIEDLUDGX-BDAKNGLRSA-N -1 1 373.891 2.035 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(CC1CC1)CC1CC1 ZINC000823600046 599346013 /nfs/dbraw/zinc/34/60/13/599346013.db2.gz CBVBLZOQJVJJSL-UHFFFAOYSA-N -1 1 367.862 2.331 20 0 FEADMM O=S(=O)(N[C@H](CC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823567008 599358789 /nfs/dbraw/zinc/35/87/89/599358789.db2.gz MJMIPCKUFQXXIG-MRXNPFEDSA-N -1 1 370.438 2.081 20 0 FEADMM O=S(=O)(N[C@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823567008 599358793 /nfs/dbraw/zinc/35/87/93/599358793.db2.gz MJMIPCKUFQXXIG-MRXNPFEDSA-N -1 1 370.438 2.081 20 0 FEADMM CC[C@]1(C)CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820949894 599371749 /nfs/dbraw/zinc/37/17/49/599371749.db2.gz HFFMCBWHFPZEDV-OAHLLOKOSA-N -1 1 353.423 2.207 20 0 FEADMM CCN(CC)C(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736529499 599405933 /nfs/dbraw/zinc/40/59/33/599405933.db2.gz NGFRWHMVYVVURJ-UHFFFAOYSA-N -1 1 351.414 2.356 20 0 FEADMM CCN(CC)C(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736529499 599405937 /nfs/dbraw/zinc/40/59/37/599405937.db2.gz NGFRWHMVYVVURJ-UHFFFAOYSA-N -1 1 351.414 2.356 20 0 FEADMM FC(F)(F)COc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000737628029 599410446 /nfs/dbraw/zinc/41/04/46/599410446.db2.gz UHDKYGSFOYJHFO-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000737628029 599410449 /nfs/dbraw/zinc/41/04/49/599410449.db2.gz UHDKYGSFOYJHFO-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM CC[C@@H](C)NC(=O)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000736324019 599411636 /nfs/dbraw/zinc/41/16/36/599411636.db2.gz GHOTUODWOGIYSE-GFCCVEGCSA-N -1 1 351.414 2.402 20 0 FEADMM CC[C@@H](C)NC(=O)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000736324019 599411638 /nfs/dbraw/zinc/41/16/38/599411638.db2.gz GHOTUODWOGIYSE-GFCCVEGCSA-N -1 1 351.414 2.402 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)C[C@H](C)O ZINC000822534938 599426412 /nfs/dbraw/zinc/42/64/12/599426412.db2.gz CUDOYKCPPAZGHM-NSHDSACASA-N -1 1 372.429 2.086 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)C[C@H](C)O ZINC000822534938 599426415 /nfs/dbraw/zinc/42/64/15/599426415.db2.gz CUDOYKCPPAZGHM-NSHDSACASA-N -1 1 372.429 2.086 20 0 FEADMM CN(Cc1cccc(C(N)=O)c1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821613598 599487280 /nfs/dbraw/zinc/48/72/80/599487280.db2.gz UKJVDEPEFVUZAF-UHFFFAOYSA-N -1 1 359.393 2.150 20 0 FEADMM CN(Cc1cccc(C(N)=O)c1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821613598 599487282 /nfs/dbraw/zinc/48/72/82/599487282.db2.gz UKJVDEPEFVUZAF-UHFFFAOYSA-N -1 1 359.393 2.150 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3nnn[n-]3)o2)N(C)C(=O)N1C ZINC000821033869 599492356 /nfs/dbraw/zinc/49/23/56/599492356.db2.gz GELFAVUOSYTGFT-AWEZNQCLSA-N -1 1 374.401 2.115 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3nn[n-]n3)o2)N(C)C(=O)N1C ZINC000821033869 599492359 /nfs/dbraw/zinc/49/23/59/599492359.db2.gz GELFAVUOSYTGFT-AWEZNQCLSA-N -1 1 374.401 2.115 20 0 FEADMM CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321160 599493159 /nfs/dbraw/zinc/49/31/59/599493159.db2.gz UZTDJNRTBVXIOD-LKFCYVNXSA-N -1 1 374.401 2.162 20 0 FEADMM CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321160 599493162 /nfs/dbraw/zinc/49/31/62/599493162.db2.gz UZTDJNRTBVXIOD-LKFCYVNXSA-N -1 1 374.401 2.162 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCOCC1CC1 ZINC000822542218 599651432 /nfs/dbraw/zinc/65/14/32/599651432.db2.gz VTGQWQFTACODOM-UHFFFAOYSA-N -1 1 357.370 2.142 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCOCC1CC1 ZINC000822542218 599651433 /nfs/dbraw/zinc/65/14/33/599651433.db2.gz VTGQWQFTACODOM-UHFFFAOYSA-N -1 1 357.370 2.142 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2sccc2-c2nn[nH]n2)c1 ZINC000819833010 599658579 /nfs/dbraw/zinc/65/85/79/599658579.db2.gz FFVGIGYFVZCWPE-UHFFFAOYSA-N -1 1 358.379 2.236 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCC2(F)CCC2)s1 ZINC000557849367 674470858 /nfs/dbraw/zinc/47/08/58/674470858.db2.gz NRAFUYKKXZPHBG-UHFFFAOYSA-N -1 1 351.421 2.104 20 0 FEADMM O=C(OCCCO)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823401561 599661247 /nfs/dbraw/zinc/66/12/47/599661247.db2.gz WUCPYZFNTWGFJM-UHFFFAOYSA-N -1 1 358.329 2.337 20 0 FEADMM O=C(OCCCO)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823401561 599661248 /nfs/dbraw/zinc/66/12/48/599661248.db2.gz WUCPYZFNTWGFJM-UHFFFAOYSA-N -1 1 358.329 2.337 20 0 FEADMM CCCC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000652371308 599705686 /nfs/dbraw/zinc/70/56/86/599705686.db2.gz UYNVZDGCVLGIBW-QGZVFWFLSA-N -1 1 368.499 2.253 20 0 FEADMM CC(=O)NC1CCC(N=c2nc(C)[nH]c3sc(C(=O)[O-])c(C)c32)CC1 ZINC000736149789 599708576 /nfs/dbraw/zinc/70/85/76/599708576.db2.gz OQOMXDKVDYZFLA-UHFFFAOYSA-N -1 1 362.455 2.287 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000738520060 599826138 /nfs/dbraw/zinc/82/61/38/599826138.db2.gz UPNBQSGFDCQKPE-NSHDSACASA-N -1 1 366.377 2.327 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000738278128 599939276 /nfs/dbraw/zinc/93/92/76/599939276.db2.gz XHCPXUUODSHYRU-STQMWFEESA-N -1 1 354.472 2.234 20 0 FEADMM CN(Cc1cc(C(=O)[O-])co1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000737454405 599963460 /nfs/dbraw/zinc/96/34/60/599963460.db2.gz PCEHBKCSRISRQW-CQSZACIVSA-N -1 1 360.414 2.335 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnccc1-n1cccn1 ZINC000738276850 599966151 /nfs/dbraw/zinc/96/61/51/599966151.db2.gz COOBKUPLXZHUIK-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cccc1F)Cc1cccc(F)c1 ZINC000739500340 599979621 /nfs/dbraw/zinc/97/96/21/599979621.db2.gz ARXOOMOXQIYDOF-LLVKDONJSA-N -1 1 373.352 2.326 20 0 FEADMM O=C([O-])c1cccn2cc(COC(=O)Cc3[nH]nc4ccccc43)nc12 ZINC000739355043 599990135 /nfs/dbraw/zinc/99/01/35/599990135.db2.gz CNHDCRWEDOMJMT-UHFFFAOYSA-N -1 1 350.334 2.195 20 0 FEADMM Cc1ccc([C@H](CNC(=O)c2c[nH]c3ccccc3c2=O)C(=O)[O-])cc1 ZINC000738558486 600160371 /nfs/dbraw/zinc/16/03/71/600160371.db2.gz CHWXRRMSPBMLMA-HNNXBMFYSA-N -1 1 350.374 2.435 20 0 FEADMM O=C([O-])[C@@H](CNC(=O)c1cc(F)cc2nc[nH]c21)Cc1ccc(O)cc1 ZINC000739396858 600172919 /nfs/dbraw/zinc/17/29/19/600172919.db2.gz KPCWQIPDWAGIJU-LLVKDONJSA-N -1 1 357.341 2.081 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CC(C)(C)OCC1(C)C ZINC000737864961 600178841 /nfs/dbraw/zinc/17/88/41/600178841.db2.gz HUANRHWUECDIBY-AWEZNQCLSA-N -1 1 367.442 2.023 20 0 FEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736411192 600262657 /nfs/dbraw/zinc/26/26/57/600262657.db2.gz GCLMMTDXQKFIKC-DOTOQJQBSA-N -1 1 350.434 2.306 20 0 FEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736218289 600287816 /nfs/dbraw/zinc/28/78/16/600287816.db2.gz MOEFLTUEENYKFA-DZGCQCFKSA-N -1 1 374.437 2.362 20 0 FEADMM CC(C)OCc1ccccc1CNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736485818 600305810 /nfs/dbraw/zinc/30/58/10/600305810.db2.gz AUOZMTILXNWLGA-GOSISDBHSA-N -1 1 374.481 2.415 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738167680 600308990 /nfs/dbraw/zinc/30/89/90/600308990.db2.gz GGVXWGBVHHIWPL-UHFFFAOYSA-N -1 1 363.395 2.078 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000737403226 600313857 /nfs/dbraw/zinc/31/38/57/600313857.db2.gz UWBVVZGURFHRSV-MRXNPFEDSA-N -1 1 358.442 2.033 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCCOc2ccccc2F)CCCCC1 ZINC000739307816 600320192 /nfs/dbraw/zinc/32/01/92/600320192.db2.gz CJMJYRCZHDKSNM-UHFFFAOYSA-N -1 1 352.406 2.088 20 0 FEADMM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1noc(CCCC(=O)[O-])n1 ZINC000738217262 600337310 /nfs/dbraw/zinc/33/73/10/600337310.db2.gz RESNMCKACWVICE-OAHLLOKOSA-N -1 1 358.442 2.183 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccs1 ZINC000737358753 600340104 /nfs/dbraw/zinc/34/01/04/600340104.db2.gz PGSKGQIYRYVFSQ-CHWSQXEVSA-N -1 1 351.472 2.247 20 0 FEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000736820650 600358858 /nfs/dbraw/zinc/35/88/58/600358858.db2.gz DBRQHNSOXAAWEA-HOCLYGCPSA-N -1 1 361.442 2.032 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC000738144007 600400161 /nfs/dbraw/zinc/40/01/61/600400161.db2.gz XJGISMAXJXGKOK-UHFFFAOYSA-N -1 1 374.372 2.282 20 0 FEADMM O=C([O-])[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000738527042 600401616 /nfs/dbraw/zinc/40/16/16/600401616.db2.gz ZYXXUGJWRWRAOE-LJQANCHMSA-N -1 1 356.397 2.338 20 0 FEADMM COc1cccc(C(=O)N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738083158 600401791 /nfs/dbraw/zinc/40/17/91/600401791.db2.gz MDDRZQDOVWKKCW-SFHVURJKSA-N -1 1 354.406 2.279 20 0 FEADMM O=C([O-])CCCNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000263212748 600456079 /nfs/dbraw/zinc/45/60/79/600456079.db2.gz JARBUHBNZJBBLI-AWEZNQCLSA-N -1 1 373.375 2.444 20 0 FEADMM Cc1nn(C)c2nc(Cl)c(CN(CCC(=O)[O-])C[C@H]3CCCO3)cc12 ZINC000738918436 600510843 /nfs/dbraw/zinc/51/08/43/600510843.db2.gz MUXNHJZKHGDCFI-CYBMUJFWSA-N -1 1 366.849 2.386 20 0 FEADMM CN(C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC000737324321 600515636 /nfs/dbraw/zinc/51/56/36/600515636.db2.gz OGGYGIOEUJRDPC-IEBWSBKVSA-N -1 1 374.481 2.478 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000320630122 600673008 /nfs/dbraw/zinc/67/30/08/600673008.db2.gz YRYRPOVPPQLPBI-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM C[C@H]1CCCN(CCNS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000828265433 600711051 /nfs/dbraw/zinc/71/10/51/600711051.db2.gz BWHHBORVKZBLMT-NSHDSACASA-N -1 1 360.863 2.048 20 0 FEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CCN1C ZINC000828167543 600760193 /nfs/dbraw/zinc/76/01/93/600760193.db2.gz HZQKHWXRESUWDA-JQWIXIFHSA-N -1 1 360.863 2.141 20 0 FEADMM COc1ccc2c(c1)[nH]cc(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c2=O ZINC000832487064 600780744 /nfs/dbraw/zinc/78/07/44/600780744.db2.gz NZHHNPQGXIVZDW-OAHLLOKOSA-N -1 1 366.373 2.135 20 0 FEADMM CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000828420856 600792572 /nfs/dbraw/zinc/79/25/72/600792572.db2.gz DQHSVNBSMPVJCO-GXFFZTMASA-N -1 1 360.863 2.045 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000738406107 600811961 /nfs/dbraw/zinc/81/19/61/600811961.db2.gz KXLBKDCPZXBZQF-HNNXBMFYSA-N -1 1 360.458 2.075 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)NC3(C(=O)[O-])CCCCCC3)c2)CC1 ZINC000830954817 600879563 /nfs/dbraw/zinc/87/95/63/600879563.db2.gz MGAKECJBKBGUQO-UHFFFAOYSA-N -1 1 373.497 2.341 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2)CC1 ZINC000830954621 600879613 /nfs/dbraw/zinc/87/96/13/600879613.db2.gz AOMFYGBJAJNFRM-UHFFFAOYSA-N -1 1 373.497 2.341 20 0 FEADMM CC(C)[C@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCS1 ZINC000581017186 601037411 /nfs/dbraw/zinc/03/74/11/601037411.db2.gz NPEGRTDDIAUWSR-CZUORRHYSA-N -1 1 350.484 2.463 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000630226267 601085720 /nfs/dbraw/zinc/08/57/20/601085720.db2.gz ZQXLMYNPIDHKIH-CYBMUJFWSA-N -1 1 350.846 2.379 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 ZINC000630226256 601088729 /nfs/dbraw/zinc/08/87/29/601088729.db2.gz ZMRAISCGIHWPSZ-MRXNPFEDSA-N -1 1 355.438 2.157 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000630224138 601101843 /nfs/dbraw/zinc/10/18/43/601101843.db2.gz MKQYHAFETFPXJJ-FYINFDKHSA-N -1 1 356.466 2.288 20 0 FEADMM Cc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cnn1-c1cccc(C)c1 ZINC000630224563 601103838 /nfs/dbraw/zinc/10/38/38/601103838.db2.gz QJCNTRBBEHFGMY-OAHLLOKOSA-N -1 1 370.453 2.110 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 ZINC000827374656 601106603 /nfs/dbraw/zinc/10/66/03/601106603.db2.gz KDGWAAAPOJPFDI-AWEZNQCLSA-N -1 1 369.421 2.075 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc3c(s2)CCCCC3)CC1 ZINC000827375506 601126747 /nfs/dbraw/zinc/12/67/47/601126747.db2.gz XPDNIMLVDPCCOH-LBPRGKRZSA-N -1 1 366.487 2.425 20 0 FEADMM CC(C)C[C@@H](NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000826786125 601220095 /nfs/dbraw/zinc/22/00/95/601220095.db2.gz KWOSRNBPFYFZCP-ZWKOTPCHSA-N -1 1 361.486 2.203 20 0 FEADMM COC(=O)c1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000831390941 601232086 /nfs/dbraw/zinc/23/20/86/601232086.db2.gz STJHIBCKMLJHOC-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3ccc(C=CC(=O)[O-])cc3)[nH]c2c1 ZINC000832958800 601257579 /nfs/dbraw/zinc/25/75/79/601257579.db2.gz JZXBWBBBDHTJMU-WEVVVXLNSA-N -1 1 371.418 2.448 20 0 FEADMM C[C@H](CS(=O)(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C(=O)[O-] ZINC000828286742 601275519 /nfs/dbraw/zinc/27/55/19/601275519.db2.gz ZKHHFNURPXKKFG-WBVHZDCISA-N -1 1 368.499 2.100 20 0 FEADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)c1C(=O)[O-] ZINC000832991896 601335497 /nfs/dbraw/zinc/33/54/97/601335497.db2.gz RKCWYDWQNLOIPI-UHFFFAOYSA-N -1 1 351.718 2.149 20 0 FEADMM CN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C[C@H]1CCOC1 ZINC000830683659 601383843 /nfs/dbraw/zinc/38/38/43/601383843.db2.gz BGJXDTZZBLTKET-LLVKDONJSA-N -1 1 352.456 2.232 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000579723127 601411087 /nfs/dbraw/zinc/41/10/87/601411087.db2.gz XPQLTCLGKHRLQK-NSHDSACASA-N -1 1 366.439 2.381 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1Cl ZINC000825907807 601474959 /nfs/dbraw/zinc/47/49/59/601474959.db2.gz DXRNIZMDSSSFQG-UHFFFAOYSA-N -1 1 371.802 2.434 20 0 FEADMM C[C@H]1CN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000828432299 601506584 /nfs/dbraw/zinc/50/65/84/601506584.db2.gz MPUPCAJGFLLZMJ-JSGCOSHPSA-N -1 1 358.360 2.230 20 0 FEADMM C[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1C(=O)[O-] ZINC000111254619 601533355 /nfs/dbraw/zinc/53/33/55/601533355.db2.gz CPTJXALXBLTIMM-SFYZADRCSA-N -1 1 356.176 2.245 20 0 FEADMM COC(=O)c1c(NC(=O)CN[C@H](C(=O)[O-])C(C)C)sc2c1CCCC2 ZINC000831230906 601824039 /nfs/dbraw/zinc/82/40/39/601824039.db2.gz QHOZZLURAPRDEM-AWEZNQCLSA-N -1 1 368.455 2.051 20 0 FEADMM C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000738994153 601854863 /nfs/dbraw/zinc/85/48/63/601854863.db2.gz JMBRGLJZGHVSGH-CYBMUJFWSA-N -1 1 362.430 2.096 20 0 FEADMM CCN(CC)C(=O)[C@H](c1ccccc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000829642695 601927882 /nfs/dbraw/zinc/92/78/82/601927882.db2.gz OHBBFNLLOAOQAA-RDJZCZTQSA-N -1 1 350.484 2.488 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936552 601932464 /nfs/dbraw/zinc/93/24/64/601932464.db2.gz IGWXEFRBLNMZIN-OAHLLOKOSA-N -1 1 355.232 2.493 20 0 FEADMM CN(CCOc1ccc(Cl)cc1)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000830791638 602228409 /nfs/dbraw/zinc/22/84/09/602228409.db2.gz ITILJUZPCKCWHH-OAHLLOKOSA-N -1 1 356.850 2.266 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@H](NC(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000739945295 602351267 /nfs/dbraw/zinc/35/12/67/602351267.db2.gz JUQROYWNOFPTDL-ZWKOTPCHSA-N -1 1 371.437 2.423 20 0 FEADMM CN(CC1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1)C(=O)[O-] ZINC000739660590 602381972 /nfs/dbraw/zinc/38/19/72/602381972.db2.gz OJVLQISLAKSPBQ-CYBMUJFWSA-N -1 1 365.396 2.109 20 0 FEADMM CN(CCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000739694926 602443066 /nfs/dbraw/zinc/44/30/66/602443066.db2.gz PSVIBWKPYASZAZ-UHFFFAOYSA-N -1 1 368.865 2.213 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000739100413 602449096 /nfs/dbraw/zinc/44/90/96/602449096.db2.gz PSDOECKIMRMWKW-VYDXJSESSA-N -1 1 369.506 2.066 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560647 602530884 /nfs/dbraw/zinc/53/08/84/602530884.db2.gz SGXQSSRCASYPNW-ZDUSSCGKSA-N -1 1 351.422 2.247 20 0 FEADMM CCCN(Cc1cc(=O)n2c(C)csc2n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739360290 602547347 /nfs/dbraw/zinc/54/73/47/602547347.db2.gz RXBSMNWKMBVNIT-ZDUSSCGKSA-N -1 1 350.444 2.029 20 0 FEADMM Cc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740170609 602550919 /nfs/dbraw/zinc/55/09/19/602550919.db2.gz LUPRPJMBRPINSZ-ROUUACIJSA-N -1 1 359.470 2.466 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737951566 602562595 /nfs/dbraw/zinc/56/25/95/602562595.db2.gz UTATUDUHRBRIFS-MRXNPFEDSA-N -1 1 366.437 2.212 20 0 FEADMM CCOc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825643306 607575731 /nfs/dbraw/zinc/57/57/31/607575731.db2.gz LKUWQJFBMDNVFZ-UHFFFAOYSA-N -1 1 360.395 2.342 20 0 FEADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cn(C)nc2-c2cnn(C)c2)c1 ZINC000558590943 674505396 /nfs/dbraw/zinc/50/53/96/674505396.db2.gz QREYGCYDSCJWRZ-UHFFFAOYSA-N -1 1 359.455 2.379 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1C ZINC000739788445 602684633 /nfs/dbraw/zinc/68/46/33/602684633.db2.gz LLSRBEDYDHDNEQ-UHFFFAOYSA-N -1 1 365.367 2.067 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739607761 602703370 /nfs/dbraw/zinc/70/33/70/602703370.db2.gz LLFBSWYAVIMMRW-BBRMVZONSA-N -1 1 366.437 2.118 20 0 FEADMM C[C@@H](NC(=O)[O-])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000738996762 602752849 /nfs/dbraw/zinc/75/28/49/602752849.db2.gz RZBABLSDTTVVEA-GFCCVEGCSA-N -1 1 353.850 2.324 20 0 FEADMM Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826298193 607584092 /nfs/dbraw/zinc/58/40/92/607584092.db2.gz IAQRADYHDFYEDX-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ncc(C(=O)OC)cc2Cl)c1 ZINC000558628635 674507614 /nfs/dbraw/zinc/50/76/14/674507614.db2.gz PLYNDQSDYPMCHU-UHFFFAOYSA-N -1 1 370.814 2.469 20 0 FEADMM C[C@@H](CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)NC(=O)[O-] ZINC000824571253 602804457 /nfs/dbraw/zinc/80/44/57/602804457.db2.gz HXUOOLQYLHQIAP-LBPRGKRZSA-N -1 1 357.414 2.224 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)ccc1F ZINC000739609379 602807846 /nfs/dbraw/zinc/80/78/46/602807846.db2.gz ANZLHGNQSPKPMD-CYBMUJFWSA-N -1 1 366.437 2.077 20 0 FEADMM C[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739175092 602839082 /nfs/dbraw/zinc/83/90/82/602839082.db2.gz BJEQEMKDTCVBFN-ZENOOKHLSA-N -1 1 356.850 2.290 20 0 FEADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826455561 607591516 /nfs/dbraw/zinc/59/15/16/607591516.db2.gz ULHYWWXVXIIHKX-UHFFFAOYSA-N -1 1 356.296 2.259 20 0 FEADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826455561 607591518 /nfs/dbraw/zinc/59/15/18/607591518.db2.gz ULHYWWXVXIIHKX-UHFFFAOYSA-N -1 1 356.296 2.259 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1ccsc1 ZINC000739609146 602888284 /nfs/dbraw/zinc/88/82/84/602888284.db2.gz SPXFGRLUCNDFTC-KGLIPLIRSA-N -1 1 354.476 2.183 20 0 FEADMM CC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824093674 607594931 /nfs/dbraw/zinc/59/49/31/607594931.db2.gz JEVXGKOCQZWFEZ-UHFFFAOYSA-N -1 1 363.365 2.210 20 0 FEADMM C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)NC(=O)[O-] ZINC000824624236 602938205 /nfs/dbraw/zinc/93/82/05/602938205.db2.gz YMKRQQYGXWYOGB-BXUZGUMPSA-N -1 1 373.375 2.442 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)c(F)c(F)c1F ZINC000826467145 607603287 /nfs/dbraw/zinc/60/32/87/607603287.db2.gz IXVVOKOXTLPRRD-UHFFFAOYSA-N -1 1 353.235 2.175 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)c(F)c(F)c1F ZINC000826467145 607603288 /nfs/dbraw/zinc/60/32/88/607603288.db2.gz IXVVOKOXTLPRRD-UHFFFAOYSA-N -1 1 353.235 2.175 20 0 FEADMM C[C@@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738915270 603091315 /nfs/dbraw/zinc/09/13/15/603091315.db2.gz GQQYTRFFDGXHAY-NNGSBXSVSA-N -1 1 374.485 2.311 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826304752 607607229 /nfs/dbraw/zinc/60/72/29/607607229.db2.gz WSQPJTBTVCGDHJ-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000740615321 603122232 /nfs/dbraw/zinc/12/22/32/603122232.db2.gz ZBZSTITXKUUVTM-HUUCEWRRSA-N -1 1 364.446 2.152 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826304027 607609148 /nfs/dbraw/zinc/60/91/48/607609148.db2.gz RXAZOYHMDRMHGY-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM CN(CC(=O)OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1)C(=O)[O-] ZINC000739630586 603143609 /nfs/dbraw/zinc/14/36/09/603143609.db2.gz GCPGBRGZOGMUFT-GFCCVEGCSA-N -1 1 356.369 2.330 20 0 FEADMM COc1ccc([C@H](CNC(=O)C[C@H](C)NC(=O)[O-])N2CCCCC2)cc1 ZINC000829309853 603231189 /nfs/dbraw/zinc/23/11/89/603231189.db2.gz DUDAKXCAEZVLPJ-YOEHRIQHSA-N -1 1 363.458 2.385 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1 ZINC000739601211 603244223 /nfs/dbraw/zinc/24/42/23/603244223.db2.gz CXGQTDVPQWJEBQ-FVQBIDKESA-N -1 1 351.422 2.371 20 0 FEADMM COc1cccc([C@H](CNC(=O)c2ccc(CNC(=O)[O-])o2)N(C)C)c1 ZINC000829543085 603251440 /nfs/dbraw/zinc/25/14/40/603251440.db2.gz DSAHXFXRCUREIE-HNNXBMFYSA-N -1 1 361.398 2.089 20 0 FEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000824167682 607618166 /nfs/dbraw/zinc/61/81/66/607618166.db2.gz RXWHDPVHVIQDQK-UHFFFAOYSA-N -1 1 367.431 2.281 20 0 FEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000824167682 607618168 /nfs/dbraw/zinc/61/81/68/607618168.db2.gz RXWHDPVHVIQDQK-UHFFFAOYSA-N -1 1 367.431 2.281 20 0 FEADMM Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1NC(=O)[O-] ZINC000830230533 603278302 /nfs/dbraw/zinc/27/83/02/603278302.db2.gz KJHZRVGANLMMDK-UHFFFAOYSA-N -1 1 369.425 2.484 20 0 FEADMM O=C([O-])NC[C@@H](C(=O)NCCN1CCc2ccccc2C1)c1ccccc1 ZINC000832407989 603296585 /nfs/dbraw/zinc/29/65/85/603296585.db2.gz MFCAMTFGFGCBHE-LJQANCHMSA-N -1 1 367.449 2.212 20 0 FEADMM CCCc1nc([C@H]2CN(C(=O)Nc3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000826955170 603470219 /nfs/dbraw/zinc/47/02/19/603470219.db2.gz YODCQMWRBVVJEF-CYBMUJFWSA-N -1 1 374.401 2.453 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3ccc(NC(=O)[O-])cc3)CCO2)n1 ZINC000826955170 603470222 /nfs/dbraw/zinc/47/02/22/603470222.db2.gz YODCQMWRBVVJEF-CYBMUJFWSA-N -1 1 374.401 2.453 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC000826126709 603538017 /nfs/dbraw/zinc/53/80/17/603538017.db2.gz PYDRZISBTNPBFN-CMPLNLGQSA-N -1 1 355.460 2.043 20 0 FEADMM O=C([O-])NC1(CNC(=O)Nc2cnn(-c3ccncc3)c2)CCCCC1 ZINC000832224180 603557176 /nfs/dbraw/zinc/55/71/76/603557176.db2.gz ZWFMNBNDFJCKMK-UHFFFAOYSA-N -1 1 358.402 2.359 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNCc1ccc(Br)cn1 ZINC000826126644 603562609 /nfs/dbraw/zinc/56/26/09/603562609.db2.gz PHDQJEBFFKUIMA-SKDRFNHKSA-N -1 1 358.236 2.437 20 0 FEADMM O=C([O-])N[C@H](CC(=O)Nc1ccn(-c2ccncc2)n1)Cc1ccccc1 ZINC000832113859 603617517 /nfs/dbraw/zinc/61/75/17/603617517.db2.gz MDYTZAAJDHCHFZ-HNNXBMFYSA-N -1 1 365.393 2.475 20 0 FEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826087180 603629799 /nfs/dbraw/zinc/62/97/99/603629799.db2.gz IUDFQABXPPLBOW-NJAFHUGGSA-N -1 1 359.470 2.341 20 0 FEADMM CN(C1CCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825888544 607650756 /nfs/dbraw/zinc/65/07/56/607650756.db2.gz RHEIVAAWIJIHOF-UHFFFAOYSA-N -1 1 361.349 2.059 20 0 FEADMM COc1ccc(OC)c(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000829494913 603837137 /nfs/dbraw/zinc/83/71/37/603837137.db2.gz XYFNPMPTINXHFK-UHFFFAOYSA-N -1 1 365.430 2.153 20 0 FEADMM O=C([O-])NC[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000832552174 603888943 /nfs/dbraw/zinc/88/89/43/603888943.db2.gz YOLYTWXJAORSML-HUUCEWRRSA-N -1 1 364.446 2.248 20 0 FEADMM CC1(C)CN(C(=O)[O-])CCN1CCC(=O)N1CCc2sccc2C1 ZINC000825729505 603916542 /nfs/dbraw/zinc/91/65/42/603916542.db2.gz XONQFFKJMPQBQD-UHFFFAOYSA-N -1 1 351.472 2.097 20 0 FEADMM CN(CC(=O)Nc1ccccc1Br)C1CCN(C(=O)[O-])CC1 ZINC000828120529 603981191 /nfs/dbraw/zinc/98/11/91/603981191.db2.gz QJEQYFJQFTXZSK-UHFFFAOYSA-N -1 1 370.247 2.462 20 0 FEADMM CCCC[C@H](CNC(=O)[O-])NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000826807173 604017449 /nfs/dbraw/zinc/01/74/49/604017449.db2.gz UWKQLTNIRMKIHI-SNVBAGLBSA-N -1 1 364.427 2.180 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H](CNC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000827994271 604040695 /nfs/dbraw/zinc/04/06/95/604040695.db2.gz JJTXIBJMFVDFFB-GJZGRUSLSA-N -1 1 368.865 2.288 20 0 FEADMM O=C([O-])NCCCOC1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000832632520 604103338 /nfs/dbraw/zinc/10/33/38/604103338.db2.gz IMJLEBPSUCJFCP-INIZCTEOSA-N -1 1 358.385 2.137 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(C(=O)[O-])o3)n2)cc1 ZINC000832907778 604278496 /nfs/dbraw/zinc/27/84/96/604278496.db2.gz MCBGZBQFVMYJJN-UHFFFAOYSA-N -1 1 372.406 2.480 20 0 FEADMM C[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824711459 604315761 /nfs/dbraw/zinc/31/57/61/604315761.db2.gz WZEHBJILKHEXSF-RYUDHWBXSA-N -1 1 358.402 2.221 20 0 FEADMM O=C([O-])C[C@H]1CN(CCC(=O)Nc2ccccc2C(F)(F)F)CCO1 ZINC000833220347 604484554 /nfs/dbraw/zinc/48/45/54/604484554.db2.gz ZSAVQENHEYSDNZ-NSHDSACASA-N -1 1 360.332 2.210 20 0 FEADMM CC(C)N(CCc1nccs1)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000833496443 604484598 /nfs/dbraw/zinc/48/45/98/604484598.db2.gz KVUXLDOVZIZLIE-UHFFFAOYSA-N -1 1 353.488 2.300 20 0 FEADMM CC(C)c1nnc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000833512260 604617633 /nfs/dbraw/zinc/61/76/33/604617633.db2.gz SELKVIIZCCVHFU-IBGZPJMESA-N -1 1 358.442 2.402 20 0 FEADMM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000831393685 604634847 /nfs/dbraw/zinc/63/48/47/604634847.db2.gz JTPMGHJNMYOBNK-IUODEOHRSA-N -1 1 374.397 2.122 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(C)C3CCN(C(=O)[O-])CC3)n[nH]2)cc1 ZINC000829234086 604706687 /nfs/dbraw/zinc/70/66/87/604706687.db2.gz KEYUFZKNVACFCT-UHFFFAOYSA-N -1 1 358.398 2.300 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)CCO1 ZINC000825326179 604773338 /nfs/dbraw/zinc/77/33/38/604773338.db2.gz NIHACQROZBRBQK-WRWORJQWSA-N -1 1 363.197 2.196 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000833623235 604784764 /nfs/dbraw/zinc/78/47/64/604784764.db2.gz JBISELHAFNUMLR-UXLLHSPISA-N -1 1 360.454 2.028 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)Oc3ccccc3)CC2)O1 ZINC000833577659 604829904 /nfs/dbraw/zinc/82/99/04/604829904.db2.gz FJNMOMBMDQEUDL-INIZCTEOSA-N -1 1 360.410 2.341 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)C[C@](C)(c3ccccc3)C2=O)C1 ZINC000833573611 604865251 /nfs/dbraw/zinc/86/52/51/604865251.db2.gz KTFKREJDVYIYDD-HRAATJIYSA-N -1 1 372.465 2.484 20 0 FEADMM C[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824563645 604924292 /nfs/dbraw/zinc/92/42/92/604924292.db2.gz CTRBOGQBAFYJRC-INMHGKMJSA-N -1 1 351.491 2.488 20 0 FEADMM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCC[C@H]1CC(=O)[O-])C2=O ZINC000828156482 604980390 /nfs/dbraw/zinc/98/03/90/604980390.db2.gz LLZFUCSMVAZYRU-VBHSOAQHSA-N -1 1 351.447 2.020 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])n[nH]1 ZINC000833512160 605003535 /nfs/dbraw/zinc/00/35/35/605003535.db2.gz JVAIVBMCXIQIDP-QMMMGPOBSA-N -1 1 372.834 2.319 20 0 FEADMM CN(C(=O)CN1CCC[C@@H](C[C@H]2CCOC2)C1)c1ccccc1C(=O)[O-] ZINC000833684818 605020315 /nfs/dbraw/zinc/02/03/15/605020315.db2.gz ULQHCUOWGLAQOM-JKSUJKDBSA-N -1 1 360.454 2.486 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1ccccc1F ZINC000833621979 605048052 /nfs/dbraw/zinc/04/80/52/605048052.db2.gz CVZIEXHUOGAVGV-AWEZNQCLSA-N -1 1 365.449 2.294 20 0 FEADMM C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833541861 605058063 /nfs/dbraw/zinc/05/80/63/605058063.db2.gz WIRXGBGERZOFBJ-SNVBAGLBSA-N -1 1 355.350 2.159 20 0 FEADMM CC(C)(O)CN(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1 ZINC000833463473 605082126 /nfs/dbraw/zinc/08/21/26/605082126.db2.gz GQWZDORAFAWZKG-UHFFFAOYSA-N -1 1 362.470 2.163 20 0 FEADMM CCC(CC)(CNc1c2ccccc2nnc1-c1nnn[n-]1)C(=O)OC ZINC000825089492 607733621 /nfs/dbraw/zinc/73/36/21/607733621.db2.gz GYWBYHRODXUEJY-UHFFFAOYSA-N -1 1 355.402 2.201 20 0 FEADMM CCC(CC)(CNc1c2ccccc2nnc1-c1nn[n-]n1)C(=O)OC ZINC000825089492 607733622 /nfs/dbraw/zinc/73/36/22/607733622.db2.gz GYWBYHRODXUEJY-UHFFFAOYSA-N -1 1 355.402 2.201 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000833624005 605108928 /nfs/dbraw/zinc/10/89/28/605108928.db2.gz UHWHASFWUZAVSG-BNOWGMLFSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000833624009 605109256 /nfs/dbraw/zinc/10/92/56/605109256.db2.gz UHWHASFWUZAVSG-KWCYVHTRSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000833618973 605161429 /nfs/dbraw/zinc/16/14/29/605161429.db2.gz HRGORHMQOISNEZ-URWSZGRFSA-N -1 1 365.499 2.461 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000322311933 605165538 /nfs/dbraw/zinc/16/55/38/605165538.db2.gz YUKDEXCQYLPBOF-UHFFFAOYSA-N -1 1 358.353 2.164 20 0 FEADMM CN(Cc1cc(=O)c(O)co1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694353 605210670 /nfs/dbraw/zinc/21/06/70/605210670.db2.gz HIGIIFLYWTUXLV-CQSZACIVSA-N -1 1 368.183 2.366 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CCN1CCC(=O)[O-] ZINC000833618412 605254526 /nfs/dbraw/zinc/25/45/26/605254526.db2.gz NPKTYSUGEDLREH-JHJVBQTASA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CCN1CCC(=O)[O-] ZINC000833618635 605277044 /nfs/dbraw/zinc/27/70/44/605277044.db2.gz PTUQEULOFBGGDP-URWSZGRFSA-N -1 1 365.499 2.461 20 0 FEADMM O=C([O-])N[C@H]1CCCN(C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000834180656 605307589 /nfs/dbraw/zinc/30/75/89/605307589.db2.gz FWRQCGVJHQOFSA-RYUDHWBXSA-N -1 1 362.348 2.177 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])[nH]n1 ZINC000831031182 605337724 /nfs/dbraw/zinc/33/77/24/605337724.db2.gz LJRCFGSKHPTPQH-NWDGAFQWSA-N -1 1 360.418 2.355 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830036589 605436130 /nfs/dbraw/zinc/43/61/30/605436130.db2.gz UZLIPPWHNCCBBP-GFCCVEGCSA-N -1 1 359.430 2.196 20 0 FEADMM CCc1noc(C)c1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000827664269 605437875 /nfs/dbraw/zinc/43/78/75/605437875.db2.gz XACLULZTKKSPGV-UHFFFAOYSA-N -1 1 370.369 2.350 20 0 FEADMM CCc1noc(C)c1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000827664269 605437881 /nfs/dbraw/zinc/43/78/81/605437881.db2.gz XACLULZTKKSPGV-UHFFFAOYSA-N -1 1 370.369 2.350 20 0 FEADMM O=C([O-])NC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000834188682 605487312 /nfs/dbraw/zinc/48/73/12/605487312.db2.gz ABVRALHQVUEFOU-UHFFFAOYSA-N -1 1 358.398 2.080 20 0 FEADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825507185 607762795 /nfs/dbraw/zinc/76/27/95/607762795.db2.gz OVGRWMITXPANPW-NSHDSACASA-N -1 1 363.443 2.124 20 0 FEADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825507185 607762796 /nfs/dbraw/zinc/76/27/96/607762796.db2.gz OVGRWMITXPANPW-NSHDSACASA-N -1 1 363.443 2.124 20 0 FEADMM Cn1cc(CN2CC[C@@H](NC(=O)[O-])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000833950158 605564010 /nfs/dbraw/zinc/56/40/10/605564010.db2.gz ZKHOADKFWRMKQT-OAHLLOKOSA-N -1 1 372.425 2.090 20 0 FEADMM CN(C)[C@@H](CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])c1cccc(F)c1 ZINC000827994314 605596427 /nfs/dbraw/zinc/59/64/27/605596427.db2.gz KIHFMHJLIXEMNM-CABCVRRESA-N -1 1 369.462 2.030 20 0 FEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000834021568 605790891 /nfs/dbraw/zinc/79/08/91/605790891.db2.gz HIVOYXVFBMGTFQ-HUUCEWRRSA-N -1 1 361.442 2.313 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830031262 605806740 /nfs/dbraw/zinc/80/67/40/605806740.db2.gz ULOQNLQBYNGPIS-CQSZACIVSA-N -1 1 370.453 2.477 20 0 FEADMM O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008228 605807530 /nfs/dbraw/zinc/80/75/30/605807530.db2.gz TVFSFKODMZEOTF-SJORKVTESA-N -1 1 361.442 2.089 20 0 FEADMM O=C([O-])N[C@@H]1C[C@@H](NCC(=O)NCCc2ccccc2)c2ccccc21 ZINC000834159554 605808694 /nfs/dbraw/zinc/80/86/94/605808694.db2.gz QKEJDMUKUJDTSR-QZTJIDSGSA-N -1 1 353.422 2.389 20 0 FEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000834121873 605878654 /nfs/dbraw/zinc/87/86/54/605878654.db2.gz SWSTYSHZUOZWCU-UHFFFAOYSA-N -1 1 351.359 2.058 20 0 FEADMM CC(C)CN1Cc2cccc(NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)c2C1 ZINC000833795860 605960549 /nfs/dbraw/zinc/96/05/49/605960549.db2.gz HCXJLLOWCDCGEM-HNNXBMFYSA-N -1 1 361.442 2.366 20 0 FEADMM O=C([O-])N1CCC(CCC(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000833992060 606008562 /nfs/dbraw/zinc/00/85/62/606008562.db2.gz TYYMHBYRHWHWRU-UHFFFAOYSA-N -1 1 359.470 2.331 20 0 FEADMM O=C([O-])N1CC[C@@H](CCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834075670 606093674 /nfs/dbraw/zinc/09/36/74/606093674.db2.gz LEIHCLZVUPNLPN-OCCSQVGLSA-N -1 1 361.446 2.168 20 0 FEADMM CCO[C@@H](C)c1noc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810066292 674528869 /nfs/dbraw/zinc/52/88/69/674528869.db2.gz JVAFKZSSMGHTRC-QWRGUYRKSA-N -1 1 364.368 2.058 20 0 FEADMM O=C(O[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823392186 606138210 /nfs/dbraw/zinc/13/82/10/606138210.db2.gz MTHXZOQTKCTFHF-NSHDSACASA-N -1 1 373.369 2.030 20 0 FEADMM O=C(O[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823392186 606138212 /nfs/dbraw/zinc/13/82/12/606138212.db2.gz MTHXZOQTKCTFHF-NSHDSACASA-N -1 1 373.369 2.030 20 0 FEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820669201 606154698 /nfs/dbraw/zinc/15/46/98/606154698.db2.gz ZRWSJPRKXLGZIG-WCQYABFASA-N -1 1 352.402 2.010 20 0 FEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820669201 606154699 /nfs/dbraw/zinc/15/46/99/606154699.db2.gz ZRWSJPRKXLGZIG-WCQYABFASA-N -1 1 352.402 2.010 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000822609151 606155488 /nfs/dbraw/zinc/15/54/88/606155488.db2.gz KPJYPOCLGOUHTM-SNVBAGLBSA-N -1 1 366.307 2.025 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000822609151 606155489 /nfs/dbraw/zinc/15/54/89/606155489.db2.gz KPJYPOCLGOUHTM-SNVBAGLBSA-N -1 1 366.307 2.025 20 0 FEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668414 606158124 /nfs/dbraw/zinc/15/81/24/606158124.db2.gz SFZDMVCFPLBXEN-IINYFYTJSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668414 606158126 /nfs/dbraw/zinc/15/81/26/606158126.db2.gz SFZDMVCFPLBXEN-IINYFYTJSA-N -1 1 370.392 2.354 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000822203087 606163777 /nfs/dbraw/zinc/16/37/77/606163777.db2.gz DFMCKYDWECSFJD-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM COC(=O)c1sccc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810072803 674529784 /nfs/dbraw/zinc/52/97/84/674529784.db2.gz OVFGLLYTFHJFON-SNVBAGLBSA-N -1 1 364.389 2.425 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822500801 606197087 /nfs/dbraw/zinc/19/70/87/606197087.db2.gz HQLVEQOAXUVOLT-UHFFFAOYSA-N -1 1 369.429 2.223 20 0 FEADMM Cc1nsc(N(C)C(=O)CCOc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000822329160 606237884 /nfs/dbraw/zinc/23/78/84/606237884.db2.gz ZYDLAOJTHWWTRA-UHFFFAOYSA-N -1 1 358.427 2.372 20 0 FEADMM Cc1nsc(N(C)C(=O)CCOc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000822329160 606237886 /nfs/dbraw/zinc/23/78/86/606237886.db2.gz ZYDLAOJTHWWTRA-UHFFFAOYSA-N -1 1 358.427 2.372 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)cn2n1 ZINC000559247710 674533395 /nfs/dbraw/zinc/53/33/95/674533395.db2.gz UUVPPPVMYDHQKT-UHFFFAOYSA-N -1 1 368.365 2.482 20 0 FEADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821864141 606293041 /nfs/dbraw/zinc/29/30/41/606293041.db2.gz UFNOVVTYELGRGK-UONOGXRCSA-N -1 1 351.366 2.323 20 0 FEADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](CC)CN1C(C)=O ZINC000820995314 606420858 /nfs/dbraw/zinc/42/08/58/606420858.db2.gz PLKIMMOTRYMCLJ-VXGBXAGGSA-N -1 1 363.853 2.141 20 0 FEADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](CC)CN1C(C)=O ZINC000820995314 606420860 /nfs/dbraw/zinc/42/08/60/606420860.db2.gz PLKIMMOTRYMCLJ-VXGBXAGGSA-N -1 1 363.853 2.141 20 0 FEADMM COc1ccccc1[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1nccn1C ZINC000821882992 606444880 /nfs/dbraw/zinc/44/48/80/606444880.db2.gz PJNMGDGNPWDQLC-INIZCTEOSA-N -1 1 362.397 2.205 20 0 FEADMM COc1ccccc1[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1nccn1C ZINC000821882992 606444881 /nfs/dbraw/zinc/44/48/81/606444881.db2.gz PJNMGDGNPWDQLC-INIZCTEOSA-N -1 1 362.397 2.205 20 0 FEADMM Clc1nsc(NCc2ccc(Cn3cncn3)cc2)c1-c1nnn[n-]1 ZINC000822591828 606445478 /nfs/dbraw/zinc/44/54/78/606445478.db2.gz XMZDTXLGYLXVTN-UHFFFAOYSA-N -1 1 373.833 2.229 20 0 FEADMM Clc1nsc(NCc2ccc(Cn3cncn3)cc2)c1-c1nn[n-]n1 ZINC000822591828 606445480 /nfs/dbraw/zinc/44/54/80/606445480.db2.gz XMZDTXLGYLXVTN-UHFFFAOYSA-N -1 1 373.833 2.229 20 0 FEADMM O=C(CNc1snc(Cl)c1-c1nnn[n-]1)Nc1ccc(F)c(F)c1 ZINC000823013955 606449656 /nfs/dbraw/zinc/44/96/56/606449656.db2.gz CZMOFQSPZVXCPJ-UHFFFAOYSA-N -1 1 371.760 2.305 20 0 FEADMM O=C(CNc1snc(Cl)c1-c1nn[n-]n1)Nc1ccc(F)c(F)c1 ZINC000823013955 606449658 /nfs/dbraw/zinc/44/96/58/606449658.db2.gz CZMOFQSPZVXCPJ-UHFFFAOYSA-N -1 1 371.760 2.305 20 0 FEADMM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820137684 606507836 /nfs/dbraw/zinc/50/78/36/606507836.db2.gz OBCIOQQCASNEHO-UHFFFAOYSA-N -1 1 356.411 2.319 20 0 FEADMM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820137684 606507838 /nfs/dbraw/zinc/50/78/38/606507838.db2.gz OBCIOQQCASNEHO-UHFFFAOYSA-N -1 1 356.411 2.319 20 0 FEADMM O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823331186 606514291 /nfs/dbraw/zinc/51/42/91/606514291.db2.gz BWWWVVMMORSMJP-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823331186 606514293 /nfs/dbraw/zinc/51/42/93/606514293.db2.gz BWWWVVMMORSMJP-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323137 606514313 /nfs/dbraw/zinc/51/43/13/606514313.db2.gz CRXVFMRNRFWPRZ-UHFFFAOYSA-N -1 1 368.422 2.303 20 0 FEADMM O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323137 606514314 /nfs/dbraw/zinc/51/43/14/606514314.db2.gz CRXVFMRNRFWPRZ-UHFFFAOYSA-N -1 1 368.422 2.303 20 0 FEADMM COC(=O)C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000821660105 606570929 /nfs/dbraw/zinc/57/09/29/606570929.db2.gz GAVXKENWKGBOHB-SNVBAGLBSA-N -1 1 369.406 2.235 20 0 FEADMM COC(=O)C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000821660105 606570930 /nfs/dbraw/zinc/57/09/30/606570930.db2.gz GAVXKENWKGBOHB-SNVBAGLBSA-N -1 1 369.406 2.235 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000822613705 606578333 /nfs/dbraw/zinc/57/83/33/606578333.db2.gz FVDIQFVJHGDIKK-DTWKUNHWSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000822613705 606578335 /nfs/dbraw/zinc/57/83/35/606578335.db2.gz FVDIQFVJHGDIKK-DTWKUNHWSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000822613699 606578456 /nfs/dbraw/zinc/57/84/56/606578456.db2.gz FVDIQFVJHGDIKK-BDAKNGLRSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000822613699 606578458 /nfs/dbraw/zinc/57/84/58/606578458.db2.gz FVDIQFVJHGDIKK-BDAKNGLRSA-N -1 1 372.355 2.090 20 0 FEADMM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000821673581 606600217 /nfs/dbraw/zinc/60/02/17/606600217.db2.gz GAKPDPJACDHMFV-MRVPVSSYSA-N -1 1 360.399 2.297 20 0 FEADMM COC(=O)c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000821668990 606619494 /nfs/dbraw/zinc/61/94/94/606619494.db2.gz TVHRTHBNGWFNLG-UHFFFAOYSA-N -1 1 354.351 2.432 20 0 FEADMM COC(=O)c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000821668990 606619496 /nfs/dbraw/zinc/61/94/96/606619496.db2.gz TVHRTHBNGWFNLG-UHFFFAOYSA-N -1 1 354.351 2.432 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(C)CCCO2)c1-c1nn[n-]n1 ZINC000821988633 606691456 /nfs/dbraw/zinc/69/14/56/606691456.db2.gz FVUPLBHUQSYLIM-QGZVFWFLSA-N -1 1 374.470 2.160 20 0 FEADMM Fc1cccnc1N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822796538 606729789 /nfs/dbraw/zinc/72/97/89/606729789.db2.gz TZXQFMZYNCCYGM-ZETCQYMHSA-N -1 1 366.813 2.202 20 0 FEADMM Fc1cccnc1N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822796538 606729791 /nfs/dbraw/zinc/72/97/91/606729791.db2.gz TZXQFMZYNCCYGM-ZETCQYMHSA-N -1 1 366.813 2.202 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000822280695 606764016 /nfs/dbraw/zinc/76/40/16/606764016.db2.gz WLXRLJDACPWBRY-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823583348 606780014 /nfs/dbraw/zinc/78/00/14/606780014.db2.gz OBKHBNZNQKUPEO-UHFFFAOYSA-N -1 1 373.442 2.438 20 0 FEADMM CC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820949907 606845356 /nfs/dbraw/zinc/84/53/56/606845356.db2.gz HLZSWEIOMZHZEN-HNNXBMFYSA-N -1 1 353.423 2.207 20 0 FEADMM CCC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821041130 606914094 /nfs/dbraw/zinc/91/40/94/606914094.db2.gz ZNYPIYJALDBTII-JTQLQIEISA-N -1 1 362.459 2.342 20 0 FEADMM COc1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821723882 607070498 /nfs/dbraw/zinc/07/04/98/607070498.db2.gz LJIZMDHSDKYOEK-UHFFFAOYSA-N -1 1 361.383 2.206 20 0 FEADMM COc1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821723882 607070500 /nfs/dbraw/zinc/07/05/00/607070500.db2.gz LJIZMDHSDKYOEK-UHFFFAOYSA-N -1 1 361.383 2.206 20 0 FEADMM Cc1ccnc(-n2nccc2NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822373803 607099939 /nfs/dbraw/zinc/09/99/39/607099939.db2.gz COANZQYINRNJTA-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1ccnc(-n2nccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822373803 607099941 /nfs/dbraw/zinc/09/99/41/607099941.db2.gz COANZQYINRNJTA-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM CCS[C@@H](C)c1noc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821446602 607113051 /nfs/dbraw/zinc/11/30/51/607113051.db2.gz BBCRFASBCVDJGY-ZETCQYMHSA-N -1 1 366.428 2.482 20 0 FEADMM CCS[C@@H](C)c1noc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821446602 607113053 /nfs/dbraw/zinc/11/30/53/607113053.db2.gz BBCRFASBCVDJGY-ZETCQYMHSA-N -1 1 366.428 2.482 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[nH]n1 ZINC000821015677 607117430 /nfs/dbraw/zinc/11/74/30/607117430.db2.gz SBHRTSSYIULICD-SNVBAGLBSA-N -1 1 361.431 2.294 20 0 FEADMM C[C@@]1(c2ccccc2)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000820634747 607135846 /nfs/dbraw/zinc/13/58/46/607135846.db2.gz IRNVQCSOWVHCEF-KRWDZBQOSA-N -1 1 355.423 2.316 20 0 FEADMM C[C@@]1(c2ccccc2)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000820634747 607135848 /nfs/dbraw/zinc/13/58/48/607135848.db2.gz IRNVQCSOWVHCEF-KRWDZBQOSA-N -1 1 355.423 2.316 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)[nH]n1 ZINC000821077853 607152196 /nfs/dbraw/zinc/15/21/96/607152196.db2.gz WIATXMBTCMESKZ-UHFFFAOYSA-N -1 1 361.431 2.042 20 0 FEADMM CCc1nn(Cc2cc3ccccc3o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517236 607167601 /nfs/dbraw/zinc/16/76/01/607167601.db2.gz HILPWDOMCDXABL-UHFFFAOYSA-N -1 1 350.382 2.343 20 0 FEADMM COc1cccc2c1CCCCN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826217861 607824274 /nfs/dbraw/zinc/82/42/74/607824274.db2.gz FSVIZWYSBYJELK-UHFFFAOYSA-N -1 1 350.382 2.253 20 0 FEADMM COc1cccc2c1CCCCN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826217861 607824275 /nfs/dbraw/zinc/82/42/75/607824275.db2.gz FSVIZWYSBYJELK-UHFFFAOYSA-N -1 1 350.382 2.253 20 0 FEADMM COc1cccc(CN(C)C(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826216279 607866745 /nfs/dbraw/zinc/86/67/45/607866745.db2.gz RDWFTSNJRPGDRP-UHFFFAOYSA-N -1 1 371.372 2.052 20 0 FEADMM COc1cccc(CN(C)C(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826216279 607866746 /nfs/dbraw/zinc/86/67/46/607866746.db2.gz RDWFTSNJRPGDRP-UHFFFAOYSA-N -1 1 371.372 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc2ncccc21 ZINC000826493311 607867952 /nfs/dbraw/zinc/86/79/52/607867952.db2.gz FDSOIJPTNROVRI-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc2ncccc21 ZINC000826493311 607867953 /nfs/dbraw/zinc/86/79/53/607867953.db2.gz FDSOIJPTNROVRI-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC000826364362 607895850 /nfs/dbraw/zinc/89/58/50/607895850.db2.gz TUNRXWJYENNQCC-OAHLLOKOSA-N -1 1 350.361 2.336 20 0 FEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000826364362 607895851 /nfs/dbraw/zinc/89/58/51/607895851.db2.gz TUNRXWJYENNQCC-OAHLLOKOSA-N -1 1 350.361 2.336 20 0 FEADMM COc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC000826219775 607903233 /nfs/dbraw/zinc/90/32/33/607903233.db2.gz QEIVBIROGKAVNM-HNNXBMFYSA-N -1 1 366.425 2.456 20 0 FEADMM COc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC000826219775 607903234 /nfs/dbraw/zinc/90/32/34/607903234.db2.gz QEIVBIROGKAVNM-HNNXBMFYSA-N -1 1 366.425 2.456 20 0 FEADMM COc1ccc(C(F)(F)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826188706 607917610 /nfs/dbraw/zinc/91/76/10/607917610.db2.gz DMNLGNCGNFEENV-UHFFFAOYSA-N -1 1 361.308 2.106 20 0 FEADMM COc1ccc(C(F)(F)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826188706 607917611 /nfs/dbraw/zinc/91/76/11/607917611.db2.gz DMNLGNCGNFEENV-UHFFFAOYSA-N -1 1 361.308 2.106 20 0 FEADMM COc1ccnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000826221074 608040465 /nfs/dbraw/zinc/04/04/65/608040465.db2.gz OBKRRQZMGDNWHR-UHFFFAOYSA-N -1 1 365.353 2.215 20 0 FEADMM COc1ccnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000826221074 608040466 /nfs/dbraw/zinc/04/04/66/608040466.db2.gz OBKRRQZMGDNWHR-UHFFFAOYSA-N -1 1 365.353 2.215 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000826231566 608078910 /nfs/dbraw/zinc/07/89/10/608078910.db2.gz PZDVMGQGGVCSBZ-UHFFFAOYSA-N -1 1 374.470 2.206 20 0 FEADMM Cc1oc(NC(=O)CN(C)[C@@H](C)c2cccnc2)c(-c2nn[n-]n2)c1C ZINC000826342103 608086202 /nfs/dbraw/zinc/08/62/02/608086202.db2.gz YEGDPHXAPKABNG-NSHDSACASA-N -1 1 355.402 2.103 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(c1ccccc1)C1CCCCC1 ZINC000826424978 608149072 /nfs/dbraw/zinc/14/90/72/608149072.db2.gz LAUOLKZXTNMEAE-UHFFFAOYSA-N -1 1 351.414 2.429 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(c1ccccc1)C1CCCCC1 ZINC000826424978 608149074 /nfs/dbraw/zinc/14/90/74/608149074.db2.gz LAUOLKZXTNMEAE-UHFFFAOYSA-N -1 1 351.414 2.429 20 0 FEADMM Cc1ccnc(Cl)c1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826309051 608154183 /nfs/dbraw/zinc/15/41/83/608154183.db2.gz BOVQDNZCXPQGPJ-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826433410 608164093 /nfs/dbraw/zinc/16/40/93/608164093.db2.gz FQBZTFSTULOXKK-UHFFFAOYSA-N -1 1 352.373 2.154 20 0 FEADMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826433410 608164095 /nfs/dbraw/zinc/16/40/95/608164095.db2.gz FQBZTFSTULOXKK-UHFFFAOYSA-N -1 1 352.373 2.154 20 0 FEADMM Clc1nsc(NCc2cccnc2-n2ccnc2)c1-c1nnn[n-]1 ZINC000826354237 608174270 /nfs/dbraw/zinc/17/42/70/608174270.db2.gz UQXDZBZOTLIDNM-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM Clc1nsc(NCc2cccnc2-n2ccnc2)c1-c1nn[n-]n1 ZINC000826354237 608174271 /nfs/dbraw/zinc/17/42/71/608174271.db2.gz UQXDZBZOTLIDNM-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM C[C@H](Oc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000824737838 608185064 /nfs/dbraw/zinc/18/50/64/608185064.db2.gz KGYYLIGFNJKAOW-LURJTMIESA-N -1 1 366.790 2.022 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826098876 608237852 /nfs/dbraw/zinc/23/78/52/608237852.db2.gz SCVJRYAXTYZZIS-QMMMGPOBSA-N -1 1 370.866 2.392 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826098876 608237853 /nfs/dbraw/zinc/23/78/53/608237853.db2.gz SCVJRYAXTYZZIS-QMMMGPOBSA-N -1 1 370.866 2.392 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000826232771 608313972 /nfs/dbraw/zinc/31/39/72/608313972.db2.gz HVTBYKXRAXUDMJ-QWRGUYRKSA-N -1 1 358.446 2.021 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825011982 608400125 /nfs/dbraw/zinc/40/01/25/608400125.db2.gz BNZVTCVBWUDCCW-CYBMUJFWSA-N -1 1 362.441 2.077 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825011982 608400126 /nfs/dbraw/zinc/40/01/26/608400126.db2.gz BNZVTCVBWUDCCW-CYBMUJFWSA-N -1 1 362.441 2.077 20 0 FEADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923625 608400254 /nfs/dbraw/zinc/40/02/54/608400254.db2.gz PCPABTRITRHEOU-UHFFFAOYSA-N -1 1 361.413 2.116 20 0 FEADMM FC(F)(F)c1cccc(OCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826369364 608400883 /nfs/dbraw/zinc/40/08/83/608400883.db2.gz ZFNFKKLFCQHMOA-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1cccc(OCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826369364 608400884 /nfs/dbraw/zinc/40/08/84/608400884.db2.gz ZFNFKKLFCQHMOA-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM Clc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CCOCC2)cc1 ZINC000826351688 608403838 /nfs/dbraw/zinc/40/38/38/608403838.db2.gz WGZRSIXPDFBPGI-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM Clc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CCOCC2)cc1 ZINC000826351688 608403839 /nfs/dbraw/zinc/40/38/39/608403839.db2.gz WGZRSIXPDFBPGI-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM C[C@H](Cc1ccccc1Br)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824457710 608432573 /nfs/dbraw/zinc/43/25/73/608432573.db2.gz QTGHIPZTNFGBKL-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Cc1ccccc1Br)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824457710 608432574 /nfs/dbraw/zinc/43/25/74/608432574.db2.gz QTGHIPZTNFGBKL-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM Fc1cc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ccc1Cl ZINC000826373028 608439352 /nfs/dbraw/zinc/43/93/52/608439352.db2.gz XDMJYFMMXHEQNF-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Fc1cc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ccc1Cl ZINC000826373028 608439354 /nfs/dbraw/zinc/43/93/54/608439354.db2.gz XDMJYFMMXHEQNF-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826146296 608473405 /nfs/dbraw/zinc/47/34/05/608473405.db2.gz SWUBQAHORUWMJV-OLZOCXBDSA-N -1 1 370.413 2.104 20 0 FEADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826146296 608473407 /nfs/dbraw/zinc/47/34/07/608473407.db2.gz SWUBQAHORUWMJV-OLZOCXBDSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000826279761 608544498 /nfs/dbraw/zinc/54/44/98/608544498.db2.gz BBWVPRWPURGELU-UHFFFAOYSA-N -1 1 359.434 2.064 20 0 FEADMM CCCCN(CCCO)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825282132 608564393 /nfs/dbraw/zinc/56/43/93/608564393.db2.gz NZXUURIIKGZTOR-UHFFFAOYSA-N -1 1 372.429 2.184 20 0 FEADMM CCCCN(CCCO)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825282132 608564395 /nfs/dbraw/zinc/56/43/95/608564395.db2.gz NZXUURIIKGZTOR-UHFFFAOYSA-N -1 1 372.429 2.184 20 0 FEADMM CCCc1ccc([C@H](C)N(CC(N)=O)Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000825348612 608633485 /nfs/dbraw/zinc/63/34/85/608633485.db2.gz RZJAGBYBOFTKMZ-ZDUSSCGKSA-N -1 1 368.441 2.461 20 0 FEADMM CCCc1ccc([C@H](C)N(CC(N)=O)Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000825348612 608633489 /nfs/dbraw/zinc/63/34/89/608633489.db2.gz RZJAGBYBOFTKMZ-ZDUSSCGKSA-N -1 1 368.441 2.461 20 0 FEADMM Cc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826296115 609287787 /nfs/dbraw/zinc/28/77/87/609287787.db2.gz JRBAEBJFIXBBSI-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229761 609301456 /nfs/dbraw/zinc/30/14/56/609301456.db2.gz QJVIMEJQPNIVIU-SNVBAGLBSA-N -1 1 362.459 2.197 20 0 FEADMM Cc1nc2cc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)ccc2s1 ZINC000826328628 609318774 /nfs/dbraw/zinc/31/87/74/609318774.db2.gz YAIBJIVTAOEOLQ-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM Cc1nc2cc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)ccc2s1 ZINC000826328628 609318775 /nfs/dbraw/zinc/31/87/75/609318775.db2.gz YAIBJIVTAOEOLQ-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM CN(CC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825902688 609361305 /nfs/dbraw/zinc/36/13/05/609361305.db2.gz YCHHFKAHZLYXKL-UHFFFAOYSA-N -1 1 356.365 2.065 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCC(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000826342415 609393263 /nfs/dbraw/zinc/39/32/63/609393263.db2.gz JBCZKTNSPCTQKL-NSHDSACASA-N -1 1 361.402 2.385 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826104245 609448484 /nfs/dbraw/zinc/44/84/84/609448484.db2.gz SMWFCWTWJVTMIQ-SNVBAGLBSA-N -1 1 350.448 2.343 20 0 FEADMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1F ZINC000826300332 609571138 /nfs/dbraw/zinc/57/11/38/609571138.db2.gz QJNBXTQDGFLUIK-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1F ZINC000826300332 609571140 /nfs/dbraw/zinc/57/11/40/609571140.db2.gz QJNBXTQDGFLUIK-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)COc1ccccc1)c1cc(Cl)ccc1F ZINC000560026806 674564201 /nfs/dbraw/zinc/56/42/01/674564201.db2.gz CDZVAVDWXBNJAL-GFCCVEGCSA-N -1 1 359.806 2.197 20 0 FEADMM Cc1cc(C(C)(C)C(=O)OCc2nc(=O)n(C)[n-]2)ccc1Br ZINC000811440305 674603923 /nfs/dbraw/zinc/60/39/23/674603923.db2.gz WQKBMZDHRQKDEJ-UHFFFAOYSA-N -1 1 368.231 2.200 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000562335586 674742788 /nfs/dbraw/zinc/74/27/88/674742788.db2.gz QGGPZEKCRLQLAV-ZCFIWIBFSA-N -1 1 369.296 2.455 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccncc3)C2)sc1C ZINC000562731640 674796947 /nfs/dbraw/zinc/79/69/47/674796947.db2.gz UQMBEUFMPIAXEO-ZIAGYGMSSA-N -1 1 353.469 2.354 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(C(C)C)cc2)C(=O)[N-]C1=S ZINC000814380786 674836019 /nfs/dbraw/zinc/83/60/19/674836019.db2.gz RCFQOJPQYBQZPM-NTCAYCPXSA-N -1 1 361.467 2.386 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000563230677 674862442 /nfs/dbraw/zinc/86/24/42/674862442.db2.gz OHJVVPUQXIEHQE-UHFFFAOYSA-N -1 1 360.501 2.251 20 0 FEADMM O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)c([O-])c1 ZINC000563685239 674926328 /nfs/dbraw/zinc/92/63/28/674926328.db2.gz SECJULNWJQLRGP-PWSUYJOCSA-N -1 1 353.216 2.038 20 0 FEADMM CCC(Nc1cc(Cl)ccc1N(C)C)=C1C(=O)[N-]C(=S)NC1=O ZINC000009954722 669985264 /nfs/dbraw/zinc/98/52/64/669985264.db2.gz BDYQKXMOVSZLQQ-UHFFFAOYSA-N -1 1 352.847 2.013 20 0 FEADMM CSc1nc2ccc(NC(C)=C3C(=O)[N-]C(=S)NC3=O)cc2s1 ZINC000009954171 669985394 /nfs/dbraw/zinc/98/53/94/669985394.db2.gz HGTQOFHNLWKBFG-UHFFFAOYSA-N -1 1 364.477 2.235 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000022902846 670045054 /nfs/dbraw/zinc/04/50/54/670045054.db2.gz NOBOIEKMBHFSBC-UHFFFAOYSA-N -1 1 359.359 2.380 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000028489968 670091453 /nfs/dbraw/zinc/09/14/53/670091453.db2.gz KDIDBTSZDOWGJO-UHFFFAOYSA-N -1 1 370.377 2.142 20 0 FEADMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3CCCO3)n2)n[n-]c1=S ZINC000030688221 670113212 /nfs/dbraw/zinc/11/32/12/670113212.db2.gz HFCDUPNVMCHNCQ-JTQLQIEISA-N -1 1 351.457 2.291 20 0 FEADMM CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1OCC ZINC000031614110 670122934 /nfs/dbraw/zinc/12/29/34/670122934.db2.gz FYHTYLNFDDJDLP-UHFFFAOYSA-N -1 1 368.411 2.237 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000032081181 670126016 /nfs/dbraw/zinc/12/60/16/670126016.db2.gz JHCDZKDZOXFLGG-UHFFFAOYSA-N -1 1 352.343 2.283 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000032589642 670130331 /nfs/dbraw/zinc/13/03/31/670130331.db2.gz PNFFUCQYAKCCPT-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041069831 670142401 /nfs/dbraw/zinc/14/24/01/670142401.db2.gz MVKBUIBOTDIBBX-SECBINFHSA-N -1 1 371.684 2.183 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)CSCC(=O)[O-])N1CCCCC1 ZINC000564954230 675081154 /nfs/dbraw/zinc/08/11/54/675081154.db2.gz MYTNRTPGUHTPBE-HNNXBMFYSA-N -1 1 366.483 2.156 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCCSCc2ccccc2F)n1 ZINC000043827709 670179720 /nfs/dbraw/zinc/17/97/20/670179720.db2.gz XUVFRNMMLFJGBB-UHFFFAOYSA-N -1 1 351.407 2.184 20 0 FEADMM CCC(CC)NC(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801817 670195524 /nfs/dbraw/zinc/19/55/24/670195524.db2.gz AYUQFVIQKVKUHQ-LLVKDONJSA-N -1 1 357.476 2.172 20 0 FEADMM CCCc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000046316069 670220501 /nfs/dbraw/zinc/22/05/01/670220501.db2.gz HZDRHNYLAVYDHC-UHFFFAOYSA-N -1 1 365.407 2.180 20 0 FEADMM O=C(NC1=NCCS1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000046551862 670226693 /nfs/dbraw/zinc/22/66/93/670226693.db2.gz KKHMRGUWEJZTKA-UHFFFAOYSA-N -1 1 361.448 2.320 20 0 FEADMM N#Cc1cccnc1NCCNC(=O)c1cc(Br)ccc1[O-] ZINC000047283808 670237880 /nfs/dbraw/zinc/23/78/80/670237880.db2.gz FUUQPSOZWJVGSZ-UHFFFAOYSA-N -1 1 361.199 2.263 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000565045430 675089405 /nfs/dbraw/zinc/08/94/05/675089405.db2.gz AUEOWIUCEUGLSW-NSHDSACASA-N -1 1 356.444 2.357 20 0 FEADMM Cc1ncc2n1C[C@H](C(=O)Nc1nc(Br)ccc1[O-])CC2 ZINC000816952271 675089764 /nfs/dbraw/zinc/08/97/64/675089764.db2.gz GVCCKFOWDZTTQK-SECBINFHSA-N -1 1 351.204 2.256 20 0 FEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000048401795 670261542 /nfs/dbraw/zinc/26/15/42/670261542.db2.gz LKJCUUBRCOVTHY-UHFFFAOYSA-N -1 1 352.843 2.297 20 0 FEADMM C/C(=C/C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)C1CC1 ZINC000052110197 670308696 /nfs/dbraw/zinc/30/86/96/670308696.db2.gz VDNDZPDMFPRTHZ-NTMALXAHSA-N -1 1 353.321 2.444 20 0 FEADMM CCC(NCc1ccc(Cl)cc1Cl)=C1C(=O)[N-]C(=S)NC1=O ZINC000054503642 670337818 /nfs/dbraw/zinc/33/78/18/670337818.db2.gz XINJFTBTQKDYGR-UHFFFAOYSA-N -1 1 358.250 2.278 20 0 FEADMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000055620992 670353340 /nfs/dbraw/zinc/35/33/40/670353340.db2.gz SFLXSORQMASCGQ-UHFFFAOYSA-N -1 1 356.359 2.496 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1noc(C2CC2)n1 ZINC000063988415 670415432 /nfs/dbraw/zinc/41/54/32/670415432.db2.gz SGRGUNGIRSQFPB-UHFFFAOYSA-N -1 1 365.411 2.456 20 0 FEADMM CCn1c(CCNC(=O)CCOc2ccccc2OC)n[n-]c1=S ZINC000067075978 670452746 /nfs/dbraw/zinc/45/27/46/670452746.db2.gz QCTZSLFOWYIPJV-UHFFFAOYSA-N -1 1 350.444 2.097 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000068453145 670471438 /nfs/dbraw/zinc/47/14/38/670471438.db2.gz DCUDFNLIVNFPCM-UHFFFAOYSA-N -1 1 357.443 2.023 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)NCc3n[n-]c(=S)n3C)cc2F)n1 ZINC000069702684 670488352 /nfs/dbraw/zinc/48/83/52/670488352.db2.gz WZMMZKARHULNET-UHFFFAOYSA-N -1 1 360.418 2.349 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)c1 ZINC000569278904 670535960 /nfs/dbraw/zinc/53/59/60/670535960.db2.gz LXZCTSHGQKHJRI-UHFFFAOYSA-N -1 1 353.371 2.351 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1cccc(Br)c1Cl ZINC000569372867 670551165 /nfs/dbraw/zinc/55/11/65/670551165.db2.gz LVSDWTNWCWGQIR-UHFFFAOYSA-N -1 1 364.595 2.008 20 0 FEADMM CCc1noc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000817290366 675117776 /nfs/dbraw/zinc/11/77/76/675117776.db2.gz HFMQGEOFJXSFOA-LLVKDONJSA-N -1 1 354.332 2.242 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](c2nccn2C)C2CC2)c(=O)[n-]1 ZINC000569756448 670607705 /nfs/dbraw/zinc/60/77/05/670607705.db2.gz IADPGFVKVSOCJP-AWEZNQCLSA-N -1 1 361.471 2.146 20 0 FEADMM N#C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000080176645 670617725 /nfs/dbraw/zinc/61/77/25/670617725.db2.gz ZPLVVNWMUDGDPL-VHSXEESVSA-N -1 1 357.222 2.021 20 0 FEADMM O=C(NCCOCC(F)(F)F)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000083185411 670656301 /nfs/dbraw/zinc/65/63/01/670656301.db2.gz SETGDGPPTQQILS-UHFFFAOYSA-N -1 1 357.691 2.002 20 0 FEADMM C#CCOc1cc(F)ccc1NC(=O)NCCn1c(CC)n[n-]c1=S ZINC000084332823 670667312 /nfs/dbraw/zinc/66/73/12/670667312.db2.gz OIAXSDIMFICAQW-UHFFFAOYSA-N -1 1 363.418 2.476 20 0 FEADMM Cc1nc(-c2ccccc2NC(=O)NCCn2c(C)n[n-]c2=S)no1 ZINC000084317652 670667410 /nfs/dbraw/zinc/66/74/10/670667410.db2.gz XKEFPFPDCFRETH-UHFFFAOYSA-N -1 1 359.415 2.429 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000092507512 670740893 /nfs/dbraw/zinc/74/08/93/670740893.db2.gz UEYCQJNJVLSGOW-UWVGGRQHSA-N -1 1 363.336 2.282 20 0 FEADMM CO[C@@H](C)CCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489538 675137853 /nfs/dbraw/zinc/13/78/53/675137853.db2.gz CWLXFVQVMRGBEC-WCQYABFASA-N -1 1 358.360 2.438 20 0 FEADMM C[C@@]1(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CCCO1 ZINC000817490039 675138291 /nfs/dbraw/zinc/13/82/91/675138291.db2.gz KZWDQIWXHIWRAV-WBMJQRKESA-N -1 1 356.344 2.192 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C[C@@H]2CCCCN12 ZINC000570937857 670790353 /nfs/dbraw/zinc/79/03/53/670790353.db2.gz SCVBLKNINHZPGP-YUMQZZPRSA-N -1 1 369.295 2.487 20 0 FEADMM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3sccc3Cl)C2)n(C)n1 ZINC000571136290 670821837 /nfs/dbraw/zinc/82/18/37/670821837.db2.gz GSJCEIOUQXBMOK-LLVKDONJSA-N -1 1 374.919 2.391 20 0 FEADMM CN1CC[C@H](CNC(=O)C2(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571169762 670829253 /nfs/dbraw/zinc/82/92/53/670829253.db2.gz OAOGXIHAOITEIV-RISCZKNCSA-N -1 1 354.809 2.453 20 0 FEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000571912376 670939784 /nfs/dbraw/zinc/93/97/84/670939784.db2.gz ILSWBSIPPQYACM-UHFFFAOYSA-N -1 1 362.451 2.380 20 0 FEADMM CC(C)(NC(=O)[C@H]1CCc2cc(Br)ccc21)c1nn[n-]n1 ZINC000571923046 670940860 /nfs/dbraw/zinc/94/08/60/670940860.db2.gz JRJRASNNOZKKPE-NSHDSACASA-N -1 1 350.220 2.044 20 0 FEADMM O=c1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)n[nH]1 ZINC000572319348 670986647 /nfs/dbraw/zinc/98/66/47/670986647.db2.gz RDJCFMGTFRLFHY-UHFFFAOYSA-N -1 1 353.253 2.021 20 0 FEADMM CC(C)(CCNC(=O)[C@](C)(N)c1ccc(Br)cc1)C(=O)[O-] ZINC000572378690 670994853 /nfs/dbraw/zinc/99/48/53/670994853.db2.gz ODACRBWQXXQNEA-OAHLLOKOSA-N -1 1 357.248 2.240 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)CCCC1 ZINC000565921353 675160969 /nfs/dbraw/zinc/16/09/69/675160969.db2.gz CSIKKPNZOLJJLI-UHFFFAOYSA-N -1 1 372.418 2.259 20 0 FEADMM C[C@@H](CN(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1)CS(C)(=O)=O ZINC000572967399 671065971 /nfs/dbraw/zinc/06/59/71/671065971.db2.gz CNPJFORYGURLGL-NSHDSACASA-N -1 1 367.389 2.273 20 0 FEADMM CCO[C@H]1C[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000573907482 671179888 /nfs/dbraw/zinc/17/98/88/671179888.db2.gz LKDDWZTVIICLDG-IRXDYDNUSA-N -1 1 360.435 2.395 20 0 FEADMM CS(=O)(=O)CC1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000574642505 671264213 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O=S(=O)(CCOCC1CC1)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000818047512 675192940 /nfs/dbraw/zinc/19/29/40/675192940.db2.gz OAGDKNTXBAIRNE-UHFFFAOYSA-N -1 1 373.784 2.427 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CCC[C@@H](F)C2)ccc1[N-]S(C)(=O)=O ZINC000575985995 671336075 /nfs/dbraw/zinc/33/60/75/671336075.db2.gz JQYMFKAWCLGACQ-MNOVXSKESA-N -1 1 359.423 2.469 20 0 FEADMM O=C([O-])Cn1cc(CCN2CCC[C@H](Oc3ccccc3Cl)C2)nn1 ZINC000576046547 671340536 /nfs/dbraw/zinc/34/05/36/671340536.db2.gz RXKVGMMCRJKTFH-AWEZNQCLSA-N -1 1 364.833 2.102 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)n1 ZINC000577397237 671593646 /nfs/dbraw/zinc/59/36/46/671593646.db2.gz INJUIKVCECACJQ-UHFFFAOYSA-N -1 1 350.322 2.005 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC000577830355 671622666 /nfs/dbraw/zinc/62/26/66/671622666.db2.gz VFSCIFHTPJSKGU-UHFFFAOYSA-N -1 1 374.344 2.402 20 0 FEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CO1 ZINC000577950251 671630426 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COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c(C)c1 ZINC000609796327 675936466 /nfs/dbraw/zinc/93/64/66/675936466.db2.gz PVKINRNBUUJDMW-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)s[n-]1 ZINC000580260464 671793099 /nfs/dbraw/zinc/79/30/99/671793099.db2.gz WACHTYJVSGZSOF-GWCFXTLKSA-N -1 1 367.450 2.231 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)[C@H]2C1 ZINC000580491552 671811943 /nfs/dbraw/zinc/81/19/43/671811943.db2.gz OFGNUILUVZWMIP-WHOFXGATSA-N -1 1 374.865 2.404 20 0 FEADMM O=C(CN1CCCC[C@H]1c1cccc(C(F)(F)F)c1)Nc1nnn[n-]1 ZINC000580526320 671815258 /nfs/dbraw/zinc/81/52/58/671815258.db2.gz BAYKUDJMKLNJQR-LBPRGKRZSA-N -1 1 354.336 2.384 20 0 FEADMM O=C(CN1CCCC[C@H]1c1cccc(C(F)(F)F)c1)Nc1nn[n-]n1 ZINC000580526320 671815263 /nfs/dbraw/zinc/81/52/63/671815263.db2.gz BAYKUDJMKLNJQR-LBPRGKRZSA-N -1 1 354.336 2.384 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(F)F ZINC000581292040 671881726 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CSc1nc(C)c(CCC(=O)N[C@H](C2CC2)C(C)(C)CO)c(=O)[n-]1 ZINC000582794559 672034840 /nfs/dbraw/zinc/03/48/40/672034840.db2.gz DNZHEFDRYKAACL-CQSZACIVSA-N -1 1 353.488 2.058 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2c(C)noc2C2CC2)s1 ZINC000129621479 672064655 /nfs/dbraw/zinc/06/46/55/672064655.db2.gz HUOLEEFRGZTWRY-UHFFFAOYSA-N -1 1 350.400 2.460 20 0 FEADMM Cc1ccc(Sc2nc(=NC(=O)N[C@H](C)c3nnc[nH]3)s[n-]2)cc1 ZINC000583233346 672075693 /nfs/dbraw/zinc/07/56/93/672075693.db2.gz DIMIRXJYKBHHLG-SECBINFHSA-N -1 1 361.456 2.420 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c(F)c1 ZINC000583475388 672098161 /nfs/dbraw/zinc/09/81/61/672098161.db2.gz QAPFCRQYCBYIHI-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000583711974 672119612 /nfs/dbraw/zinc/11/96/12/672119612.db2.gz OSBXKMHHYGIPSF-CQSZACIVSA-N -1 1 353.296 2.444 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccc(Cl)nc1 ZINC000134738710 672126246 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Cc1onc(N)c1S(=O)(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000584808298 672217227 /nfs/dbraw/zinc/21/72/27/672217227.db2.gz KWJWOKAZKPHTOR-UHFFFAOYSA-N -1 1 367.761 2.299 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cnc(C2CC2)nc1)c1ccccc1 ZINC000586541001 672239113 /nfs/dbraw/zinc/23/91/13/672239113.db2.gz CNWIVCJEFWODEX-HNNXBMFYSA-N -1 1 361.423 2.053 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)c2ccsc2)CCc2ccccc21 ZINC000586759603 672240615 /nfs/dbraw/zinc/24/06/15/672240615.db2.gz JCKSUZRETZYGAF-MRXNPFEDSA-N -1 1 351.449 2.431 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2ccc3ccccc3c2)c1Cl ZINC000158801151 672273295 /nfs/dbraw/zinc/27/32/95/672273295.db2.gz WQOOSLCSHBFMJZ-AWEZNQCLSA-N -1 1 365.842 2.239 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)NC1CCCCC1 ZINC000171091414 672329217 /nfs/dbraw/zinc/32/92/17/672329217.db2.gz UYUKZXOJYTUVOJ-UHFFFAOYSA-N -1 1 366.270 2.116 20 0 FEADMM CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc21 ZINC000174775746 672363187 /nfs/dbraw/zinc/36/31/87/672363187.db2.gz 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ZINC000589556130 672531560 /nfs/dbraw/zinc/53/15/60/672531560.db2.gz PSKLLSOEBUFPDR-LBPRGKRZSA-N -1 1 355.460 2.329 20 0 FEADMM Cn1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nn1 ZINC000679937135 672538781 /nfs/dbraw/zinc/53/87/81/672538781.db2.gz MJEXBJWWXGEYNK-UHFFFAOYSA-N -1 1 355.634 2.254 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c1Cl ZINC000186557733 672549964 /nfs/dbraw/zinc/54/99/64/672549964.db2.gz WHASORBAVPQHNG-UHFFFAOYSA-N -1 1 362.238 2.140 20 0 FEADMM O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)Nc1c([O-])cccc1F ZINC000611294863 676030398 /nfs/dbraw/zinc/03/03/98/676030398.db2.gz KSJCRWXUBIIFKW-RUZDIDTESA-N -1 1 365.382 2.439 20 0 FEADMM C[C@H](CO)CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000680641623 672595288 /nfs/dbraw/zinc/59/52/88/672595288.db2.gz MOTBPJSOCGPEBX-ZDUSSCGKSA-N -1 1 363.439 2.237 20 0 FEADMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3c(O)cccc3F)ccc21 ZINC000681024993 672622611 /nfs/dbraw/zinc/62/26/11/672622611.db2.gz XYVDHMBJUNGJAZ-UHFFFAOYSA-N -1 1 352.343 2.260 20 0 FEADMM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1ccc(Cl)nc1Cl ZINC000190498060 672642462 /nfs/dbraw/zinc/64/24/62/672642462.db2.gz YIMBAIJWBRWYDH-NSHDSACASA-N -1 1 361.250 2.270 20 0 FEADMM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1[nH]nc2c1CCCCC2 ZINC000190770568 672649382 /nfs/dbraw/zinc/64/93/82/672649382.db2.gz UBIWSDWLJRNZOO-UHFFFAOYSA-N -1 1 351.403 2.078 20 0 FEADMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000681364862 672653010 /nfs/dbraw/zinc/65/30/10/672653010.db2.gz GJIUUQKWISPHMJ-UHFFFAOYSA-N -1 1 361.448 2.386 20 0 FEADMM O=C(NCc1ccco1)N[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000192091545 672681835 /nfs/dbraw/zinc/68/18/35/672681835.db2.gz XNJNKLQIERVGMB-UHFFFAOYSA-N -1 1 374.141 2.465 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccncc2OC)c(F)c1 ZINC000682084927 672734396 /nfs/dbraw/zinc/73/43/96/672734396.db2.gz SRRKWHNEZGZHIQ-VIFPVBQESA-N -1 1 358.366 2.417 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1ccc(C)c(C)c1 ZINC000592046684 672741320 /nfs/dbraw/zinc/74/13/20/672741320.db2.gz FYJAMIVXIASAHH-HOTGVXAUSA-N -1 1 357.472 2.108 20 0 FEADMM COc1cc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc(Cl)c1[O-] ZINC000682372562 672750964 /nfs/dbraw/zinc/75/09/64/672750964.db2.gz JPDBOZDMYUYYHJ-UHFFFAOYSA-N -1 1 352.818 2.185 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000682692789 672784599 /nfs/dbraw/zinc/78/45/99/672784599.db2.gz XELWXZFGUGSBGD-UHFFFAOYSA-N -1 1 357.288 2.187 20 0 FEADMM CC(C)(C)OC(=O)C1(CNC(=O)c2ccc([O-])cc2F)CCOCC1 ZINC000592834499 672844575 /nfs/dbraw/zinc/84/45/75/672844575.db2.gz QVJGKCGVBWTRIG-UHFFFAOYSA-N -1 1 353.390 2.400 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC000263143588 672928630 /nfs/dbraw/zinc/92/86/30/672928630.db2.gz DUNWNRDWZKQZSI-XPKDYRNWSA-N -1 1 351.422 2.181 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@]2(CCOC2)O1 ZINC000684525790 672938762 /nfs/dbraw/zinc/93/87/62/672938762.db2.gz YDYREBHHAZFOAO-PXAZEXFGSA-N -1 1 355.818 2.464 20 0 FEADMM O=C1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)N1 ZINC000684762828 672963715 /nfs/dbraw/zinc/96/37/15/672963715.db2.gz LNSDKNUABVUXEP-MRVPVSSYSA-N -1 1 355.218 2.080 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCn2c(nnc2C(F)F)C1 ZINC000684817370 672967924 /nfs/dbraw/zinc/96/79/24/672967924.db2.gz SZDCLZOEENJEKF-UHFFFAOYSA-N -1 1 373.157 2.340 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc3N2)o1 ZINC000593729521 672983515 /nfs/dbraw/zinc/98/35/15/672983515.db2.gz BVCYELJXYCXRTQ-ZDUSSCGKSA-N -1 1 364.423 2.162 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000685500664 673015578 /nfs/dbraw/zinc/01/55/78/673015578.db2.gz ROUUACATIBKWCA-KBPBESRZSA-N -1 1 351.428 2.072 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C(C)C)C2CC2)c(Br)n1C ZINC000324421592 673045795 /nfs/dbraw/zinc/04/57/95/673045795.db2.gz GMPMICUMAADSKT-JTQLQIEISA-N -1 1 350.282 2.204 20 0 FEADMM CCc1c([N-]S(=O)(=O)CCOCC(F)(F)F)cnn1CC(C)C ZINC000685901610 673053642 /nfs/dbraw/zinc/05/36/42/673053642.db2.gz 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ZINC000392177024 673161153 /nfs/dbraw/zinc/16/11/53/673161153.db2.gz XAAFCMPAIPJSCL-UHFFFAOYSA-N -1 1 360.391 2.411 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccccc2-n2cccn2)cc1C(=O)[O-] ZINC000392905987 673162861 /nfs/dbraw/zinc/16/28/61/673162861.db2.gz PHNYNPCQAPZISC-UHFFFAOYSA-N -1 1 360.395 2.193 20 0 FEADMM O=c1[nH]ccn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000727719537 673180284 /nfs/dbraw/zinc/18/02/84/673180284.db2.gz DCLDITPFPOWXFY-UHFFFAOYSA-N -1 1 357.391 2.409 20 0 FEADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCOC1=O ZINC000727832215 673183937 /nfs/dbraw/zinc/18/39/37/673183937.db2.gz PNVAOMRJCKKING-KRWDZBQOSA-N -1 1 360.435 2.235 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)cc1C ZINC000595299903 673218920 /nfs/dbraw/zinc/21/89/20/673218920.db2.gz GBSJVAQLWBXFGA-UHFFFAOYSA-N -1 1 373.814 2.385 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2csc([C@@H](C)OC)n2)cc1C ZINC000595319324 673223294 /nfs/dbraw/zinc/22/32/94/673223294.db2.gz QLJRYDKIQDNXQR-SECBINFHSA-N -1 1 374.440 2.017 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)cc1C ZINC000595319739 673223412 /nfs/dbraw/zinc/22/34/12/673223412.db2.gz CXDJANSVUVAXCV-GFCCVEGCSA-N -1 1 357.428 2.145 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)cc1C ZINC000595332014 673226247 /nfs/dbraw/zinc/22/62/47/673226247.db2.gz KZBQWGSMYYIWEF-LBPRGKRZSA-N -1 1 357.428 2.002 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CC=CC2)cc1C ZINC000595342346 673227644 /nfs/dbraw/zinc/22/76/44/673227644.db2.gz BLDPCISZDKLHSH-HNNXBMFYSA-N -1 1 371.455 2.006 20 0 FEADMM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1c([O-])cccc1Cl ZINC000729541977 673238979 /nfs/dbraw/zinc/23/89/79/673238979.db2.gz PSLYEJXMABAIOP-VIFPVBQESA-N -1 1 357.740 2.494 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2F)o1 ZINC000462682719 673274337 /nfs/dbraw/zinc/27/43/37/673274337.db2.gz SPPONFDAWVMYOO-SECBINFHSA-N -1 1 359.350 2.426 20 0 FEADMM O=[S@](CC[N-]S(=O)(=O)c1cc(F)ccc1F)Cc1ccccc1 ZINC000731849720 673344852 /nfs/dbraw/zinc/34/48/52/673344852.db2.gz IUIPWZVVDBTCSX-JOCHJYFZSA-N -1 1 359.419 2.192 20 0 FEADMM O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091193 673353335 /nfs/dbraw/zinc/35/33/35/673353335.db2.gz URHMQBKPNBBEAK-JTQLQIEISA-N -1 1 364.818 2.123 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(C)cc1C(=O)NCC(C)C ZINC000732217687 673358149 /nfs/dbraw/zinc/35/81/49/673358149.db2.gz FNHRAPKCZNUSCE-UHFFFAOYSA-N -1 1 351.428 2.180 20 0 FEADMM O=C(Nc1ccncc1I)c1ccc([O-])c(F)c1 ZINC000613513764 676132134 /nfs/dbraw/zinc/13/21/34/676132134.db2.gz UDVOUKNKANJMQA-UHFFFAOYSA-N -1 1 358.110 2.205 20 0 FEADMM CO[C@@H]1CC[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000613554316 676133771 /nfs/dbraw/zinc/13/37/71/676133771.db2.gz GADFJKGOVXJEEZ-OPQQBVKSSA-N -1 1 353.785 2.013 20 0 FEADMM CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000732309224 673362805 /nfs/dbraw/zinc/36/28/05/673362805.db2.gz KYZHSXPOGKHGLU-UHFFFAOYSA-N -1 1 370.814 2.480 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c(N)cccc2Cl)cc1 ZINC000732404450 673366600 /nfs/dbraw/zinc/36/66/00/673366600.db2.gz IPEZILPBHQVBPN-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)nc1 ZINC000732754260 673380570 /nfs/dbraw/zinc/38/05/70/673380570.db2.gz VLAGTDSILWPXAN-UHFFFAOYSA-N -1 1 356.773 2.177 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2cc(F)ccc2F)c1 ZINC000537504670 673392157 /nfs/dbraw/zinc/39/21/57/673392157.db2.gz RFDPAENIOBPMPQ-UHFFFAOYSA-N -1 1 370.377 2.279 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000537850244 673411256 /nfs/dbraw/zinc/41/12/56/673411256.db2.gz DIARIHCHNSGRML-UHFFFAOYSA-N -1 1 362.407 2.081 20 0 FEADMM COc1cc(C)sc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000733841276 673439886 /nfs/dbraw/zinc/43/98/86/673439886.db2.gz ZQTIJMKMPLJVHX-UHFFFAOYSA-N -1 1 363.391 2.187 20 0 FEADMM COC(=O)[C@H](C)CSCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000734368263 673461143 /nfs/dbraw/zinc/46/11/43/673461143.db2.gz NHGWJVJDFCUXFV-SECBINFHSA-N -1 1 361.366 2.087 20 0 FEADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000734415770 673462750 /nfs/dbraw/zinc/46/27/50/673462750.db2.gz IKORLJIISFWOPI-HSZRJFAPSA-N -1 1 365.432 2.036 20 0 FEADMM CC(C)(C)OC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735623250 673498134 /nfs/dbraw/zinc/49/81/34/673498134.db2.gz GBOKGHURUGGNEB-UHFFFAOYSA-N -1 1 364.837 2.473 20 0 FEADMM CC(C)(C)OC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735623250 673498138 /nfs/dbraw/zinc/49/81/38/673498138.db2.gz GBOKGHURUGGNEB-UHFFFAOYSA-N -1 1 364.837 2.473 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)nc1C ZINC000539949848 673515408 /nfs/dbraw/zinc/51/54/08/673515408.db2.gz DIGNAGSZZGTMIM-UHFFFAOYSA-N -1 1 350.322 2.132 20 0 FEADMM COc1cc(NC(=O)c2cnn(C(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000539962061 673516084 /nfs/dbraw/zinc/51/60/84/673516084.db2.gz IBMHOSSOSBABCO-UHFFFAOYSA-N -1 1 366.443 2.405 20 0 FEADMM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])O1 ZINC000539970486 673516747 /nfs/dbraw/zinc/51/67/47/673516747.db2.gz DMGMHEANVMHQLR-AAEUAGOBSA-N -1 1 368.455 2.119 20 0 FEADMM CCC[C@H](NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)c1nn[n-]n1 ZINC000736429907 673525364 /nfs/dbraw/zinc/52/53/64/673525364.db2.gz KTJFYFUJEDYUFD-LBPRGKRZSA-N -1 1 354.455 2.193 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000540338300 673534824 /nfs/dbraw/zinc/53/48/24/673534824.db2.gz NWLBBGKJDWJKCU-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000540495915 673542923 /nfs/dbraw/zinc/54/29/23/673542923.db2.gz FPOROHKGOIARID-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM C[C@]12COC[C@H]1CN(C(=O)c1cc(I)ccc1[O-])C2 ZINC000598222871 673549966 /nfs/dbraw/zinc/54/99/66/673549966.db2.gz DCOIHKXBFSZZPJ-OTYXRUKQSA-N -1 1 373.190 2.105 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1F ZINC000737105465 673550946 /nfs/dbraw/zinc/55/09/46/673550946.db2.gz HHFVCOKVIHUPGQ-UHFFFAOYSA-N -1 1 363.374 2.124 20 0 FEADMM Cn1[n-]c(CSc2nnc(Cc3c(F)cccc3Cl)o2)nc1=O ZINC000542710902 673599122 /nfs/dbraw/zinc/59/91/22/673599122.db2.gz OTVGJSOTMWSITQ-UHFFFAOYSA-N -1 1 355.782 2.167 20 0 FEADMM CCN(C(=O)CN1CC[C@@H](CNC(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000739382780 673631390 /nfs/dbraw/zinc/63/13/90/673631390.db2.gz VCXQPNLLMBRMHQ-KBPBESRZSA-N -1 1 351.422 2.325 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)NCC1(c2cccs2)CCCCC1 ZINC000739754541 673635661 /nfs/dbraw/zinc/63/56/61/673635661.db2.gz NCOQKGWGIYDCTB-UHFFFAOYSA-N -1 1 361.467 2.007 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]C2(c3noc(C)n3)CCCCCC2)no1 ZINC000599227987 673644575 /nfs/dbraw/zinc/64/45/75/673644575.db2.gz JDHGRYJXSCDKBH-UHFFFAOYSA-N -1 1 354.432 2.344 20 0 FEADMM COc1cc(NC(=O)NCc2ccc(C)nc2)ccc1[N-]S(C)(=O)=O ZINC000599408917 673671310 /nfs/dbraw/zinc/67/13/10/673671310.db2.gz DRKBRHODWWDTGV-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM COc1cccc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1Cl ZINC000614389810 676173029 /nfs/dbraw/zinc/17/30/29/676173029.db2.gz PQUOILSKWDXPJS-LLVKDONJSA-N -1 1 351.790 2.386 20 0 FEADMM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cc(=O)n2[n-]cnc2n1 ZINC000544735841 673729541 /nfs/dbraw/zinc/72/95/41/673729541.db2.gz AFAGSWIZMYXNDI-UHFFFAOYSA-N -1 1 352.379 2.157 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1OC(C)C ZINC000544845067 673736474 /nfs/dbraw/zinc/73/64/74/673736474.db2.gz POOJHXZCXMHJMP-UHFFFAOYSA-N -1 1 364.423 2.382 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(F)c1 ZINC000743255012 673753689 /nfs/dbraw/zinc/75/36/89/673753689.db2.gz XMTDGKSVWCVRBR-UHFFFAOYSA-N -1 1 363.322 2.431 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC000545465657 673771249 /nfs/dbraw/zinc/77/12/49/673771249.db2.gz XWHQYQYMXJGLFA-UHFFFAOYSA-N -1 1 355.309 2.376 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](CC(F)F)C(=O)OC)cc(Cl)c1[O-] ZINC000545845812 673777901 /nfs/dbraw/zinc/77/79/01/673777901.db2.gz GQYSMEQRZSSZFY-VIFPVBQESA-N -1 1 351.733 2.371 20 0 FEADMM O=S(=O)([N-]Cc1cn2ccsc2n1)c1ccc(Br)o1 ZINC000546781647 673818645 /nfs/dbraw/zinc/81/86/45/673818645.db2.gz VRDINZMVWKWCHV-UHFFFAOYSA-N -1 1 362.230 2.230 20 0 FEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1ccon1 ZINC000546913768 673827606 /nfs/dbraw/zinc/82/76/06/673827606.db2.gz JLUXHGJJQBUARO-SSDOTTSWSA-N -1 1 358.135 2.476 20 0 FEADMM CCOc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc(Cl)c1[O-] ZINC000547290084 673840361 /nfs/dbraw/zinc/84/03/61/673840361.db2.gz NSMVMIFLYOGQFD-UHFFFAOYSA-N -1 1 370.814 2.495 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(F)F)c1ccc(F)c(C)c1 ZINC000601393500 673854423 /nfs/dbraw/zinc/85/44/23/673854423.db2.gz CMTSUIZSTVVPPX-GFCCVEGCSA-N -1 1 353.362 2.313 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCC1(F)F)c1ccc(F)c(C)c1 ZINC000601394709 673854907 /nfs/dbraw/zinc/85/49/07/673854907.db2.gz WQXQWTNTWGJDJX-DGCLKSJQSA-N -1 1 365.373 2.313 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CC[C@@H](SC)C2)cc1[N-]S(C)(=O)=O ZINC000745898642 673856204 /nfs/dbraw/zinc/85/62/04/673856204.db2.gz YMIMHQGVSRSZOX-ZYHUDNBSSA-N -1 1 373.500 2.472 20 0 FEADMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000745979956 673859777 /nfs/dbraw/zinc/85/97/77/673859777.db2.gz RRWROKLHQYICSF-UHFFFAOYSA-N -1 1 362.407 2.241 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000746055536 673862557 /nfs/dbraw/zinc/86/25/57/673862557.db2.gz RPVQBMCNSPSSAQ-UHFFFAOYSA-N -1 1 366.351 2.044 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)cc1C ZINC000601515787 673875301 /nfs/dbraw/zinc/87/53/01/673875301.db2.gz FDFMORZULMNJSS-CYBMUJFWSA-N -1 1 371.455 2.392 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1F ZINC000547822659 673891687 /nfs/dbraw/zinc/89/16/87/673891687.db2.gz UGRFQKCDAUBVFO-UHFFFAOYSA-N -1 1 366.370 2.274 20 0 FEADMM CC(C)(CNS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000547901434 673900776 /nfs/dbraw/zinc/90/07/76/673900776.db2.gz ZZHMPGVRAMNBKC-UHFFFAOYSA-N -1 1 372.187 2.116 20 0 FEADMM COC(=O)c1sccc1[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000547998019 673912977 /nfs/dbraw/zinc/91/29/77/673912977.db2.gz OSOKTZOSAPDYOH-UHFFFAOYSA-N -1 1 367.448 2.454 20 0 FEADMM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000566662911 675232630 /nfs/dbraw/zinc/23/26/30/675232630.db2.gz SEJOTNPRCOJUAK-RITPCOANSA-N -1 1 372.187 2.115 20 0 FEADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000566700101 675235907 /nfs/dbraw/zinc/23/59/07/675235907.db2.gz SJTSSISTSOOWLM-UHFFFAOYSA-N -1 1 362.379 2.072 20 0 FEADMM O=C(c1cnc(-c2cccnc2)s1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000566793033 675243182 /nfs/dbraw/zinc/24/31/82/675243182.db2.gz QOGPWKFWOLKXMZ-LLVKDONJSA-N -1 1 357.395 2.314 20 0 FEADMM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC000819875825 675318040 /nfs/dbraw/zinc/31/80/40/675318040.db2.gz KRXOECRIJDSPDU-OAHLLOKOSA-N -1 1 357.378 2.294 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(OC)[C@@H](C)c2ccccc2C)co1 ZINC000820034499 675331937 /nfs/dbraw/zinc/33/19/37/675331937.db2.gz WGDYVYPECAKKBB-LBPRGKRZSA-N -1 1 352.412 2.261 20 0 FEADMM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)CS2 ZINC000567942049 675337918 /nfs/dbraw/zinc/33/79/18/675337918.db2.gz DXBQLYOMLSSSAM-GUYCJALGSA-N -1 1 358.423 2.175 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(C(F)F)no1 ZINC000820314774 675352555 /nfs/dbraw/zinc/35/25/55/675352555.db2.gz WQMWRCUMFUEGJG-UHFFFAOYSA-N -1 1 361.326 2.126 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2ncns2)CC1 ZINC000615797735 676229361 /nfs/dbraw/zinc/22/93/61/676229361.db2.gz OHFGKKCZXSXWOK-UHFFFAOYSA-N -1 1 358.345 2.225 20 0 FEADMM COC(=O)c1ccc(CNC(=O)[C@@H](C)Sc2ncc(C)c(=O)[n-]2)cc1 ZINC000568271182 675363080 /nfs/dbraw/zinc/36/30/80/675363080.db2.gz ZDUAHQKYKQGNHE-LLVKDONJSA-N -1 1 361.423 2.074 20 0 FEADMM Cc1cnc(CC[N-]S(=O)(=O)c2sccc2Br)cn1 ZINC000568488762 675377951 /nfs/dbraw/zinc/37/79/51/675377951.db2.gz FCLJKYOFOXSTKA-UHFFFAOYSA-N -1 1 362.274 2.130 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c[nH]1 ZINC000820798880 675389749 /nfs/dbraw/zinc/38/97/49/675389749.db2.gz ODLDDIOHXLLIBL-UHFFFAOYSA-N -1 1 350.183 2.304 20 0 FEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1c(F)cccc1F ZINC000568744187 675396962 /nfs/dbraw/zinc/39/69/62/675396962.db2.gz ITOCTNZDROKYQN-CYBMUJFWSA-N -1 1 359.325 2.078 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1CCc2cncn2C1 ZINC000568751371 675398013 /nfs/dbraw/zinc/39/80/13/675398013.db2.gz BFDLETYGSJMIDL-SNVBAGLBSA-N -1 1 358.789 2.228 20 0 FEADMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1C ZINC000821346844 675428814 /nfs/dbraw/zinc/42/88/14/675428814.db2.gz QHXRCYQJPGLHDD-UHFFFAOYSA-N -1 1 364.412 2.122 20 0 FEADMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1C ZINC000821346844 675428816 /nfs/dbraw/zinc/42/88/16/675428816.db2.gz QHXRCYQJPGLHDD-UHFFFAOYSA-N -1 1 364.412 2.122 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2nc(CC(C)C)no2)c1 ZINC000821361365 675430196 /nfs/dbraw/zinc/43/01/96/675430196.db2.gz ZIPOGBMAEGJREG-DEOSSOPVSA-N -1 1 352.412 2.128 20 0 FEADMM Cc1nsc(N(C)C(=O)c2ccc(Br)o2)c1-c1nnn[n-]1 ZINC000822530594 675490728 /nfs/dbraw/zinc/49/07/28/675490728.db2.gz JBUVERVRRUDPLL-UHFFFAOYSA-N -1 1 369.204 2.264 20 0 FEADMM Cc1nsc(N(C)C(=O)c2ccc(Br)o2)c1-c1nn[n-]n1 ZINC000822530594 675490730 /nfs/dbraw/zinc/49/07/30/675490730.db2.gz JBUVERVRRUDPLL-UHFFFAOYSA-N -1 1 369.204 2.264 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc(F)cc1F ZINC000823026943 675523939 /nfs/dbraw/zinc/52/39/39/675523939.db2.gz JKFCRMLKTSLXOQ-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc(F)cc1F ZINC000823026943 675523940 /nfs/dbraw/zinc/52/39/40/675523940.db2.gz JKFCRMLKTSLXOQ-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM O=C(Cc1cc(-c2ccccc2)on1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823073826 675527287 /nfs/dbraw/zinc/52/72/87/675527287.db2.gz DZAADSWPXBNRQR-UHFFFAOYSA-N -1 1 353.367 2.159 20 0 FEADMM O=C(Cc1cc(-c2ccccc2)on1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823073826 675527288 /nfs/dbraw/zinc/52/72/88/675527288.db2.gz DZAADSWPXBNRQR-UHFFFAOYSA-N -1 1 353.367 2.159 20 0 FEADMM Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(C)n1-c1cnn(C)c1 ZINC000823209537 675536573 /nfs/dbraw/zinc/53/65/73/675536573.db2.gz PBJKJQIYYXGEIR-UHFFFAOYSA-N -1 1 353.308 2.217 20 0 FEADMM CCn1ncc(C)c1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000825143745 675638773 /nfs/dbraw/zinc/63/87/73/675638773.db2.gz HCGHUBIROUENIH-LLVKDONJSA-N -1 1 361.368 2.134 20 0 FEADMM O=C(NC[C@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1[O-] ZINC000825469166 675654721 /nfs/dbraw/zinc/65/47/21/675654721.db2.gz BHUOXTSIIWVOOX-GFCCVEGCSA-N -1 1 370.243 2.470 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[nH]n2)c(C)c1 ZINC000826211535 675683859 /nfs/dbraw/zinc/68/38/59/675683859.db2.gz ITHBQUMVFWDGSZ-UHFFFAOYSA-N -1 1 363.374 2.124 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826343181 675686359 /nfs/dbraw/zinc/68/63/59/675686359.db2.gz PVYMIABDRZBLHH-UHFFFAOYSA-N -1 1 364.768 2.157 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826343181 675686362 /nfs/dbraw/zinc/68/63/62/675686362.db2.gz PVYMIABDRZBLHH-UHFFFAOYSA-N -1 1 364.768 2.157 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826345531 675686618 /nfs/dbraw/zinc/68/66/18/675686618.db2.gz NBUDYAJVFYRIOT-SSDOTTSWSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826345531 675686619 /nfs/dbraw/zinc/68/66/19/675686619.db2.gz NBUDYAJVFYRIOT-SSDOTTSWSA-N -1 1 364.768 2.376 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H]3CSC[C@@H]3C2)c(=O)[n-]1 ZINC000827191278 675738434 /nfs/dbraw/zinc/73/84/34/675738434.db2.gz RVWDSCYJQSTQGJ-RYUDHWBXSA-N -1 1 353.513 2.357 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F)C(C)C ZINC000827194372 675738650 /nfs/dbraw/zinc/73/86/50/675738650.db2.gz KVOXRTHUGJVHKA-UONOGXRCSA-N -1 1 369.405 2.027 20 0 FEADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc2n[n-]c(=S)n2c1 ZINC000827527112 675762449 /nfs/dbraw/zinc/76/24/49/675762449.db2.gz XYYIFYOZLZRRDI-SCVCMEIPSA-N -1 1 352.510 2.127 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)c(F)cc1Cl ZINC000828288533 675810860 /nfs/dbraw/zinc/81/08/60/675810860.db2.gz LZOJDBDEORNDOU-BDAKNGLRSA-N -1 1 365.810 2.112 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)s1 ZINC000605432240 675814585 /nfs/dbraw/zinc/81/45/85/675814585.db2.gz MGFZWNBZWWYVSZ-UHFFFAOYSA-N -1 1 370.500 2.248 20 0 FEADMM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440098 675815126 /nfs/dbraw/zinc/81/51/26/675815126.db2.gz KHJUKYGXBJRDIB-UHFFFAOYSA-N -1 1 352.387 2.470 20 0 FEADMM COc1cc(NC(=O)NCCOC2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000607208347 675860765 /nfs/dbraw/zinc/86/07/65/675860765.db2.gz CBGNBNCETGBYQM-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2ccoc2)ccc1[N-]S(C)(=O)=O ZINC000607208252 675860866 /nfs/dbraw/zinc/86/08/66/675860866.db2.gz BUCMVMDYHXBMDT-UHFFFAOYSA-N -1 1 353.400 2.324 20 0 FEADMM O=C1COc2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2N1 ZINC000607611059 675870742 /nfs/dbraw/zinc/87/07/42/675870742.db2.gz CAUJWEGVKAODNB-UHFFFAOYSA-N -1 1 355.375 2.367 20 0 FEADMM O=C(COc1cc(Cl)cc(Cl)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000608137513 675885827 /nfs/dbraw/zinc/88/58/27/675885827.db2.gz BJFXPZRQRNHLPR-UHFFFAOYSA-N -1 1 356.213 2.471 20 0 FEADMM CCOC(=O)N1CCC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000829736946 675888922 /nfs/dbraw/zinc/88/89/22/675888922.db2.gz RUPVBCNZJXPKQF-UHFFFAOYSA-N -1 1 370.402 2.471 20 0 FEADMM CCS(=O)(=O)NCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367390 675889695 /nfs/dbraw/zinc/88/96/95/675889695.db2.gz YGIGJAUJLUVHBF-UHFFFAOYSA-N -1 1 352.387 2.223 20 0 FEADMM Cc1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000677233050 679668177 /nfs/dbraw/zinc/66/81/77/679668177.db2.gz BHRHSFLAYYWBGI-UHFFFAOYSA-N -1 1 361.301 2.303 20 0 FEADMM 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Cc1cc(C)c(S(=O)(=O)N(C)CCN2CCCCC2)cc1C(=O)[O-] ZINC000907028666 691374932 /nfs/dbraw/zinc/37/49/32/691374932.db2.gz UCHKAHCUYBFTOP-UHFFFAOYSA-N -1 1 354.472 2.108 20 0 FEADMM O=C(Cc1csc(-c2ccccc2)n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474348 691494211 /nfs/dbraw/zinc/49/42/11/691494211.db2.gz HBLPUJSWBULPQU-ZDUSSCGKSA-N -1 1 372.479 2.182 20 0 FEADMM O=C(c1cccc([C@H]2CCCOC2)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475544 691494723 /nfs/dbraw/zinc/49/47/23/691494723.db2.gz OTTLJURINQARRC-LSDHHAIUSA-N -1 1 359.455 2.024 20 0 FEADMM O=C(Cc1cc2cc(Cl)ccc2[nH]1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479608 691497416 /nfs/dbraw/zinc/49/74/16/691497416.db2.gz GHSKJKHZEJORRM-CYBMUJFWSA-N -1 1 362.846 2.194 20 0 FEADMM CCC[C@@H]([N-]S(=O)(=O)Cc1ccsc1Br)C(=O)OC ZINC000907780216 691559222 /nfs/dbraw/zinc/55/92/22/691559222.db2.gz RGXVTKRZHQVWQT-SECBINFHSA-N -1 1 370.290 2.272 20 0 FEADMM CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000907834682 691568079 /nfs/dbraw/zinc/56/80/79/691568079.db2.gz FBEQSMHWPGFGCU-RKDXNWHRSA-N -1 1 358.218 2.215 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2CC3(C2)COC(C)(C)C3)cc1C ZINC000907999529 691595239 /nfs/dbraw/zinc/59/52/39/691595239.db2.gz OTJXRRQHQMFSKY-UHFFFAOYSA-N -1 1 357.428 2.001 20 0 FEADMM CCc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908017739 691599349 /nfs/dbraw/zinc/59/93/49/691599349.db2.gz XPQWPNBOMMOPLJ-CYBMUJFWSA-N -1 1 363.439 2.279 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC/C=C\Cl)c(F)c1 ZINC000908453155 691682121 /nfs/dbraw/zinc/68/21/21/691682121.db2.gz QHKNXJOMPWXOPH-UTCJRWHESA-N -1 1 370.855 2.008 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)C1(N2CCOCC2)CCC1 ZINC000908710099 691716238 /nfs/dbraw/zinc/71/62/38/691716238.db2.gz XCHIDBSAWDTACE-UHFFFAOYSA-N -1 1 355.232 2.348 20 0 FEADMM C[C@@](CCF)(NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908744375 691721229 /nfs/dbraw/zinc/72/12/29/691721229.db2.gz SEAKAKOFQGWMJM-GUYCJALGSA-N -1 1 355.410 2.309 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccsc1 ZINC000908814273 691734253 /nfs/dbraw/zinc/73/42/53/691734253.db2.gz QCLKKFBFSBILPF-NXEZZACHSA-N -1 1 353.366 2.056 20 0 FEADMM CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])c1ccsc1 ZINC000908815351 691734516 /nfs/dbraw/zinc/73/45/16/691734516.db2.gz XQPPYTRMYUBCTF-ZGKBOVNRSA-N -1 1 351.472 2.246 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908836475 691737740 /nfs/dbraw/zinc/73/77/40/691737740.db2.gz MAARJAPGULBUTH-WBVHZDCISA-N -1 1 350.434 2.306 20 0 FEADMM C[C@H](CN(Cc1ccccc1)C(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC000908838278 691737875 /nfs/dbraw/zinc/73/78/75/691737875.db2.gz DOPKVSDNOLCNKA-ZBFHGGJFSA-N -1 1 350.484 2.173 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)c1ccco1 ZINC000908876308 691745075 /nfs/dbraw/zinc/74/50/75/691745075.db2.gz SIAQURRFBIKCHD-ZDUSSCGKSA-N -1 1 369.487 2.312 20 0 FEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1n[nH]cc1C(F)(F)F ZINC000908990832 691763067 /nfs/dbraw/zinc/76/30/67/691763067.db2.gz VTSQGOVGHANSIO-VIFPVBQESA-N -1 1 351.325 2.018 20 0 FEADMM CN(CC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)C1CCC1 ZINC000909323654 691807226 /nfs/dbraw/zinc/80/72/26/691807226.db2.gz UFZBVLHAOZTJIP-MRXNPFEDSA-N -1 1 369.259 2.349 20 0 FEADMM C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1OC(F)F ZINC000909403807 691818261 /nfs/dbraw/zinc/81/82/61/691818261.db2.gz WZDXPOQVJBKCMN-NWDGAFQWSA-N -1 1 356.369 2.262 20 0 FEADMM CN1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000909672579 691844401 /nfs/dbraw/zinc/84/44/01/691844401.db2.gz NAKOEWPRRODAFS-CYBMUJFWSA-N -1 1 355.232 2.248 20 0 FEADMM O=C([N-]CCCOC(=O)C1(c2ccc3c(c2)OCO3)CC1)C(F)(F)F ZINC000909763269 691853242 /nfs/dbraw/zinc/85/32/42/691853242.db2.gz RPZDFUMOYGEGCL-UHFFFAOYSA-N -1 1 359.300 2.059 20 0 FEADMM CN1CCCC[C@H]1C(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000909804436 691857587 /nfs/dbraw/zinc/85/75/87/691857587.db2.gz COVFECAKMFGSQM-AWEZNQCLSA-N -1 1 369.259 2.347 20 0 FEADMM CN(C)Cc1ccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cn1 ZINC000909817654 691859357 /nfs/dbraw/zinc/85/93/57/691859357.db2.gz ZQMGBCZOTFNHAD-INIZCTEOSA-N -1 1 361.829 2.222 20 0 FEADMM O=C([O-])[C@@H]1CSCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000910145490 691894171 /nfs/dbraw/zinc/89/41/71/691894171.db2.gz SMOLPRLKFFRTBN-IRXDYDNUSA-N -1 1 362.495 2.317 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC000910172284 691896790 /nfs/dbraw/zinc/89/67/90/691896790.db2.gz ALZSTAGMEYKQCX-LBPRGKRZSA-N -1 1 363.845 2.371 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])o1 ZINC000910236791 691904869 /nfs/dbraw/zinc/90/48/69/691904869.db2.gz QJZQRGXVWFDNNJ-UKRRQHHQSA-N -1 1 352.431 2.121 20 0 FEADMM Cc1ccc(SC[C@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000910251494 691906552 /nfs/dbraw/zinc/90/65/52/691906552.db2.gz VABHACRUTBEFRS-GJZGRUSLSA-N -1 1 350.484 2.388 20 0 FEADMM C[C@@H](CN1CCOCC1)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910936127 939759751 /nfs/dbraw/zinc/75/97/51/939759751.db2.gz MHSMLBUMUXPQBA-KSSFIOAISA-N -1 1 356.422 2.050 20 0 FEADMM Cc1cc(CNC(=O)c2ccc(I)c([O-])c2)no1 ZINC000230890512 548761775 /nfs/dbraw/zinc/76/17/75/548761775.db2.gz SKFWYDOLTLAQPE-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(N)=O)cc1 ZINC000007940323 539472288 /nfs/dbraw/zinc/47/22/88/539472288.db2.gz GPORYCQRYAJMGB-UHFFFAOYSA-N -1 1 366.464 2.464 20 0 FEADMM CCc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000016147679 539628233 /nfs/dbraw/zinc/62/82/33/539628233.db2.gz AGWULMSNIUNVJH-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000023315269 539712452 /nfs/dbraw/zinc/71/24/52/539712452.db2.gz UZRRIWMNBZAEIG-QGZVFWFLSA-N -1 1 368.433 2.256 20 0 FEADMM Cc1cc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)on1 ZINC000028802897 539837924 /nfs/dbraw/zinc/83/79/24/539837924.db2.gz VSXCIDNQGCHSMA-UHFFFAOYSA-N -1 1 355.350 2.454 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCN(C)c2ccccc2)c(=O)[n-]1 ZINC000029953703 539869933 /nfs/dbraw/zinc/86/99/33/539869933.db2.gz CLYRYFLWZFOZTP-UHFFFAOYSA-N -1 1 360.483 2.398 20 0 FEADMM COc1cc(NC(=O)[C@H](C)Oc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000029968359 539870806 /nfs/dbraw/zinc/87/08/06/539870806.db2.gz BUWGBJCFKVYTDF-LBPRGKRZSA-N -1 1 364.423 2.473 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1C(N)=O ZINC000032083936 539928212 /nfs/dbraw/zinc/92/82/12/539928212.db2.gz CPRVOMDJJVALII-UHFFFAOYSA-N -1 1 370.333 2.216 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1C ZINC000032085038 539928389 /nfs/dbraw/zinc/92/83/89/539928389.db2.gz RRTPSCGSRCWEIU-UHFFFAOYSA-N -1 1 361.423 2.162 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)o1 ZINC000032715520 539948172 /nfs/dbraw/zinc/94/81/72/539948172.db2.gz RBCOFEDWLOAUJU-UHFFFAOYSA-N -1 1 352.387 2.132 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)on1 ZINC000800916621 674088028 /nfs/dbraw/zinc/08/80/28/674088028.db2.gz DHEUQCQPUJNIBC-UHFFFAOYSA-N -1 1 354.815 2.498 20 0 FEADMM COc1ccccc1NS(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000045946293 540235391 /nfs/dbraw/zinc/23/53/91/540235391.db2.gz MISJBSTZWBRQBW-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N=c2cc(-c3ccccc3C)[nH][nH]2)co1 ZINC000534482336 540372325 /nfs/dbraw/zinc/37/23/25/540372325.db2.gz XQGCGNAUYNRXQQ-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM Cn1cc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000054289181 540581774 /nfs/dbraw/zinc/58/17/74/540581774.db2.gz FFGQOUACMXTJLY-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM COCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055092930 540627335 /nfs/dbraw/zinc/62/73/35/540627335.db2.gz MSIGPSGHIZTEJQ-UHFFFAOYSA-N -1 1 350.321 2.299 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc2c(c1)OCCO2 ZINC000055296958 540644814 /nfs/dbraw/zinc/64/48/14/540644814.db2.gz GVPSKQSNKJCVOR-CYBMUJFWSA-N -1 1 352.412 2.492 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1F ZINC000055619042 540664243 /nfs/dbraw/zinc/66/42/43/540664243.db2.gz RJOPLFCIQZQBFN-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 ZINC000055663370 540668503 /nfs/dbraw/zinc/66/85/03/540668503.db2.gz LUZRFBFWPBGHOE-UHFFFAOYSA-N -1 1 374.418 2.420 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1cccs1 ZINC000056114339 540704220 /nfs/dbraw/zinc/70/42/20/540704220.db2.gz FTXSURJASGQZEK-UHFFFAOYSA-N -1 1 354.435 2.403 20 0 FEADMM COc1ccc(NC(=O)c2noc3c2CCCC3)cc1[N-]S(C)(=O)=O ZINC000056601622 540735520 /nfs/dbraw/zinc/73/55/20/540735520.db2.gz OIACBQZPNQOLQV-UHFFFAOYSA-N -1 1 365.411 2.186 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCN(CC(F)(F)F)CC1 ZINC000059894487 540866342 /nfs/dbraw/zinc/86/63/42/540866342.db2.gz OEVFRDXVSOCLQL-UHFFFAOYSA-N -1 1 367.165 2.475 20 0 FEADMM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000060113156 540868933 /nfs/dbraw/zinc/86/89/33/540868933.db2.gz LXVAOGHYMOATTK-UHFFFAOYSA-N -1 1 360.426 2.280 20 0 FEADMM O=C(CS(=O)(=O)c1ccc([O-])cc1)Nc1ccc(OC(F)F)cc1 ZINC000063927299 541191596 /nfs/dbraw/zinc/19/15/96/541191596.db2.gz JCRUGPYTJOSFPG-UHFFFAOYSA-N -1 1 357.334 2.406 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000064475764 541207670 /nfs/dbraw/zinc/20/76/70/541207670.db2.gz BSRYBAZFSZRFEL-UHFFFAOYSA-N -1 1 372.493 2.117 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1NS(C)(=O)=O ZINC000064373958 541203857 /nfs/dbraw/zinc/20/38/57/541203857.db2.gz JBXYROLWLSADRK-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000065832516 541264330 /nfs/dbraw/zinc/26/43/30/541264330.db2.gz ZRMKZFVQZKCFNH-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cn1 ZINC000066583420 541341362 /nfs/dbraw/zinc/34/13/62/541341362.db2.gz RRPRFTHHNKYBMZ-HNNXBMFYSA-N -1 1 361.427 2.432 20 0 FEADMM CCn1c(CNC(=O)c2[nH]nc(C3CC3)c2Br)n[n-]c1=S ZINC000066636809 541351832 /nfs/dbraw/zinc/35/18/32/541351832.db2.gz UZUQHEKYLHKMGQ-UHFFFAOYSA-N -1 1 371.264 2.254 20 0 FEADMM C=C1c2ccccc2C(=O)N1CC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638196 541352593 /nfs/dbraw/zinc/35/25/93/541352593.db2.gz KHHHOCVKWAMCTM-UHFFFAOYSA-N -1 1 355.423 2.018 20 0 FEADMM COCCOc1cccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000066639669 541353092 /nfs/dbraw/zinc/35/30/92/541353092.db2.gz MNYXWKAQGHBIPY-UHFFFAOYSA-N -1 1 350.444 2.477 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000066713941 541363950 /nfs/dbraw/zinc/36/39/50/541363950.db2.gz FWNUHGGNYXGAAY-UHFFFAOYSA-N -1 1 361.423 2.108 20 0 FEADMM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068076484 541545124 /nfs/dbraw/zinc/54/51/24/541545124.db2.gz HIKBNUAEWXTFLD-UHFFFAOYSA-N -1 1 367.448 2.062 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000543322557 541572517 /nfs/dbraw/zinc/57/25/17/541572517.db2.gz DSRGFLBLZJSXLP-GFCCVEGCSA-N -1 1 351.472 2.375 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cc3c([nH]c2=O)CCCC3)n[n-]c1=S ZINC000068448993 541593424 /nfs/dbraw/zinc/59/34/24/541593424.db2.gz SBOGJWINXTWVLO-UHFFFAOYSA-N -1 1 361.471 2.061 20 0 FEADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000068829001 541633963 /nfs/dbraw/zinc/63/39/63/541633963.db2.gz GTRUHKCMIWKSEZ-AWEZNQCLSA-N -1 1 350.440 2.329 20 0 FEADMM CCn1c(CCNC(=O)c2cnn(-c3ccccc3C)c2)n[n-]c1=S ZINC000069706018 541705987 /nfs/dbraw/zinc/70/59/87/541705987.db2.gz VIAIPWDRCVMWQP-UHFFFAOYSA-N -1 1 356.455 2.427 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c(C)c1 ZINC000071092126 541763404 /nfs/dbraw/zinc/76/34/04/541763404.db2.gz BSDHPUUPZXCLSY-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000550859638 674114950 /nfs/dbraw/zinc/11/49/50/674114950.db2.gz OTZBFOZGMDVAHM-UHFFFAOYSA-N -1 1 358.419 2.445 20 0 FEADMM CO[C@@H](COC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccc(Cl)cc1 ZINC000801329790 674122356 /nfs/dbraw/zinc/12/23/56/674122356.db2.gz SWHKSIIJSWUHIO-ZDUSSCGKSA-N -1 1 351.790 2.446 20 0 FEADMM O=C(COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCOCC1 ZINC000801361617 674124406 /nfs/dbraw/zinc/12/44/06/674124406.db2.gz IWGYTKBFAVWBCK-UHFFFAOYSA-N -1 1 364.785 2.384 20 0 FEADMM Cn1ccc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])cc1=O ZINC000801372708 674124891 /nfs/dbraw/zinc/12/48/91/674124891.db2.gz IBANRKPXSSVEDT-UHFFFAOYSA-N -1 1 359.769 2.287 20 0 FEADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1)c1noc(C)n1 ZINC000072994272 541906474 /nfs/dbraw/zinc/90/64/74/541906474.db2.gz JHMYFTTZPDLPAL-MRXNPFEDSA-N -1 1 359.407 2.455 20 0 FEADMM O=S(=O)([N-]Cc1nnc2ccccn21)c1sccc1Br ZINC000049061213 206087229 /nfs/dbraw/zinc/08/72/29/206087229.db2.gz LYPHFSRTFGWESJ-UHFFFAOYSA-N -1 1 373.257 2.032 20 0 FEADMM CO[C@@]1(C)C[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000073269071 541938303 /nfs/dbraw/zinc/93/83/03/541938303.db2.gz DQYTYBIUEAFZKP-YWZLYKJASA-N -1 1 370.453 2.003 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3nncn3-c3ccccc3)cnc2n1 ZINC000123648986 206114685 /nfs/dbraw/zinc/11/46/85/206114685.db2.gz DCCSRKSWTMLSQR-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1nncn1-c1ccccc1)c2=O ZINC000123648986 206114689 /nfs/dbraw/zinc/11/46/89/206114689.db2.gz DCCSRKSWTMLSQR-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000551315392 674137698 /nfs/dbraw/zinc/13/76/98/674137698.db2.gz WKWVLCMRCZZYIL-SECBINFHSA-N -1 1 353.669 2.085 20 0 FEADMM CN(C)[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1c(F)cccc1Cl ZINC000801701134 674144590 /nfs/dbraw/zinc/14/45/90/674144590.db2.gz ZJRZRTLESUDMOV-OAHLLOKOSA-N -1 1 361.808 2.376 20 0 FEADMM CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000076836208 542325172 /nfs/dbraw/zinc/32/51/72/542325172.db2.gz HRNZDLUWWAPGJQ-UHFFFAOYSA-N -1 1 367.877 2.062 20 0 FEADMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000077618804 542403575 /nfs/dbraw/zinc/40/35/75/542403575.db2.gz YBPVDDZHXGATDR-ZETCQYMHSA-N -1 1 357.284 2.344 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2nc(-c3cccc(Cl)c3)no2)n[n-]1 ZINC000086170527 542734988 /nfs/dbraw/zinc/73/49/88/542734988.db2.gz TYAILZDEVLNCCG-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC000091574865 542813396 /nfs/dbraw/zinc/81/33/96/542813396.db2.gz HNVCWEJXVPAOCX-UHFFFAOYSA-N -1 1 358.421 2.472 20 0 FEADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000094137203 542954111 /nfs/dbraw/zinc/95/41/11/542954111.db2.gz GSRQCGQDHIUMDB-SECBINFHSA-N -1 1 364.261 2.050 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)O)c1 ZINC000097178386 543006689 /nfs/dbraw/zinc/00/66/89/543006689.db2.gz RDRMAXKYFLGWJV-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM O=C(NCc1cccc(OCC(F)F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000102436614 543069659 /nfs/dbraw/zinc/06/96/59/543069659.db2.gz VPSCLMZVJQWKMM-UHFFFAOYSA-N -1 1 359.332 2.497 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)Cc2ccccc2F)C2CCOCC2)n1 ZINC000551888311 674169239 /nfs/dbraw/zinc/16/92/39/674169239.db2.gz BVCBWUUCGXYGBI-HNNXBMFYSA-N -1 1 369.418 2.104 20 0 FEADMM Cc1cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)ccc1N(C)C ZINC000104034492 543120642 /nfs/dbraw/zinc/12/06/42/543120642.db2.gz ASJKFVVAGHZDFR-UHFFFAOYSA-N -1 1 353.426 2.195 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000104872920 543148167 /nfs/dbraw/zinc/14/81/67/543148167.db2.gz PLNOFPHSUPDHJB-INIZCTEOSA-N -1 1 350.422 2.198 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)c(F)c3)ccc2O1 ZINC000106007633 543185160 /nfs/dbraw/zinc/18/51/60/543185160.db2.gz NWVWZDAHZIPKOV-SECBINFHSA-N -1 1 350.371 2.049 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)NC1CCCC1 ZINC000108592921 543296630 /nfs/dbraw/zinc/29/66/30/543296630.db2.gz CHYNXJZQDZCORT-UHFFFAOYSA-N -1 1 368.503 2.150 20 0 FEADMM O=C(NC1CC1)c1ccc(CN(C(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000109943590 543344529 /nfs/dbraw/zinc/34/45/29/543344529.db2.gz VMDCAYVZWILLHZ-UHFFFAOYSA-N -1 1 351.406 2.484 20 0 FEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)C(F)(F)F ZINC000551910814 674171536 /nfs/dbraw/zinc/17/15/36/674171536.db2.gz XCFPYIUQAUPXNC-YFKPBYRVSA-N -1 1 365.251 2.035 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2Nc2ccccc2)n1 ZINC000113421751 543487320 /nfs/dbraw/zinc/48/73/20/543487320.db2.gz LXPRDJQJCDIXRC-UHFFFAOYSA-N -1 1 357.395 2.204 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2Nc2ccccc2)[n-]1 ZINC000113421751 543487322 /nfs/dbraw/zinc/48/73/22/543487322.db2.gz LXPRDJQJCDIXRC-UHFFFAOYSA-N -1 1 357.395 2.204 20 0 FEADMM O=C(NCc1ncc[nH]1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000114337267 543510137 /nfs/dbraw/zinc/51/01/37/543510137.db2.gz LAWNGTGKBUOYPB-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM COc1cccc([C@@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114412738 543514139 /nfs/dbraw/zinc/51/41/39/543514139.db2.gz JRJYEJSHNWVWDI-LLVKDONJSA-N -1 1 354.410 2.068 20 0 FEADMM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)C1=O ZINC000802422354 674181409 /nfs/dbraw/zinc/18/14/09/674181409.db2.gz UCXFIJSPZKKLJD-HZMBPMFUSA-N -1 1 361.295 2.468 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccnc1OCC(F)(F)F ZINC000247482940 549341467 /nfs/dbraw/zinc/34/14/67/549341467.db2.gz JRUMYELVLGAPOS-UHFFFAOYSA-N -1 1 355.198 2.412 20 0 FEADMM O=C(Nc1nn[n-]n1)c1cc(Br)sc1Br ZINC000116975206 543621138 /nfs/dbraw/zinc/62/11/38/543621138.db2.gz PBPFRHIBZFBMIF-UHFFFAOYSA-N -1 1 352.999 2.039 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)cc1 ZINC000122781851 543723734 /nfs/dbraw/zinc/72/37/34/543723734.db2.gz MTIGKHGYNPIMGC-UHFFFAOYSA-N -1 1 358.419 2.318 20 0 FEADMM C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000123576351 543769983 /nfs/dbraw/zinc/76/99/83/543769983.db2.gz FDCBRECHXDUQMO-SSDOTTSWSA-N -1 1 358.204 2.024 20 0 FEADMM CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000124312198 543813631 /nfs/dbraw/zinc/81/36/31/543813631.db2.gz YMJZVBLTUQWJMN-LLVKDONJSA-N -1 1 355.232 2.095 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccc(Br)cc1)c1nn[n-]n1 ZINC000124579762 543830329 /nfs/dbraw/zinc/83/03/29/543830329.db2.gz DLXUMDQLKBXTGY-UWVGGRQHSA-N -1 1 352.236 2.328 20 0 FEADMM CC[C@](C)(CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000125453789 543882696 /nfs/dbraw/zinc/88/26/96/543882696.db2.gz ARMOKQBKLDFABL-GOSISDBHSA-N -1 1 362.451 2.378 20 0 FEADMM C[C@@H](CCCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000126201537 543923714 /nfs/dbraw/zinc/92/37/14/543923714.db2.gz XKVFFGJZKNSKIZ-ZETCQYMHSA-N -1 1 358.204 2.167 20 0 FEADMM CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)c2nc3ccccc3[nH]2)c1C ZINC000126864852 543960365 /nfs/dbraw/zinc/96/03/65/543960365.db2.gz RGFMGZVUWRSVMG-UHFFFAOYSA-N -1 1 359.407 2.367 20 0 FEADMM O=c1cc(C(F)(F)F)nc(SCc2nnnn2-c2ccccc2)[n-]1 ZINC000126967156 543965840 /nfs/dbraw/zinc/96/58/40/543965840.db2.gz BTBCGWURRVFOCG-UHFFFAOYSA-N -1 1 354.317 2.469 20 0 FEADMM COc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1Cl ZINC000128717570 544068865 /nfs/dbraw/zinc/06/88/65/544068865.db2.gz GUYPJBHQIQSHCS-UHFFFAOYSA-N -1 1 353.831 2.392 20 0 FEADMM O=C(N[C@@H]1CCCC[C@H]1O)c1cc(I)ccc1[O-] ZINC000128142469 544034842 /nfs/dbraw/zinc/03/48/42/544034842.db2.gz GFCYMHFRHQKFMC-ZYHUDNBSSA-N -1 1 361.179 2.030 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1C[C@@H]1c1ccco1 ZINC000130508900 544154038 /nfs/dbraw/zinc/15/40/38/544154038.db2.gz GGXOLTVUQXJBPY-QWHCGFSZSA-N -1 1 362.407 2.168 20 0 FEADMM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1cnn(-c2ccccc2F)c1 ZINC000130797556 544165403 /nfs/dbraw/zinc/16/54/03/544165403.db2.gz XWNKSYHEMXZYCW-UHFFFAOYSA-N -1 1 358.358 2.084 20 0 FEADMM O=S(=O)([N-]c1ccc2nn[nH]c2c1)c1cnn(-c2ccccc2F)c1 ZINC000130797556 544165406 /nfs/dbraw/zinc/16/54/06/544165406.db2.gz XWNKSYHEMXZYCW-UHFFFAOYSA-N -1 1 358.358 2.084 20 0 FEADMM O=S(=O)([N-]CCCOC[C@@H]1CCOC1)c1c(F)cccc1Cl ZINC000132836199 544245517 /nfs/dbraw/zinc/24/55/17/544245517.db2.gz RZWFGQVRLLZYFG-NSHDSACASA-N -1 1 351.827 2.201 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC1 ZINC000132183671 544222371 /nfs/dbraw/zinc/22/23/71/544222371.db2.gz XLIGWXCJQIWGLW-UHFFFAOYSA-N -1 1 362.854 2.406 20 0 FEADMM O=C([O-])c1cc(NS(=O)(=O)c2cccnc2)ccc1Br ZINC000132379421 544229446 /nfs/dbraw/zinc/22/94/46/544229446.db2.gz YWLNGZJDFYHLOP-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM CCC[C@H](NC(=O)c1ccnc(OCc2ccccc2)c1)c1nn[n-]n1 ZINC000136628559 544375232 /nfs/dbraw/zinc/37/52/32/544375232.db2.gz RULXKGFHMNDTLD-HNNXBMFYSA-N -1 1 352.398 2.445 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(OCc2ccccn2)cc1)c1nn[n-]n1 ZINC000136676881 544376941 /nfs/dbraw/zinc/37/69/41/544376941.db2.gz BTXFMXRLVQXETG-INIZCTEOSA-N -1 1 352.398 2.445 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CS(=O)(=O)c2ccc([O-])cc2)c(C)c1 ZINC000150784931 544470161 /nfs/dbraw/zinc/47/01/61/544470161.db2.gz CSGCNFWKIVRAPJ-UHFFFAOYSA-N -1 1 361.463 2.450 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1F ZINC000151467066 544544914 /nfs/dbraw/zinc/54/49/14/544544914.db2.gz AIAWMHSSQQHRRC-UHFFFAOYSA-N -1 1 372.443 2.097 20 0 FEADMM O=C(C[NH2+]CC1CC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000151253060 544521900 /nfs/dbraw/zinc/52/19/00/544521900.db2.gz YQBGGQLKSJPHIR-UHFFFAOYSA-N -1 1 359.451 2.426 20 0 FEADMM Cc1oc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000151497400 544548924 /nfs/dbraw/zinc/54/89/24/544548924.db2.gz XRIPQUCFXVEOPG-UHFFFAOYSA-N -1 1 358.803 2.450 20 0 FEADMM O=S(=O)(Cc1csc(COc2ccc(Cl)cc2)n1)c1ncn[n-]1 ZINC000153042286 544726321 /nfs/dbraw/zinc/72/63/21/544726321.db2.gz IJHNNVOUKLZVMB-UHFFFAOYSA-N -1 1 370.843 2.468 20 0 FEADMM O=S(=O)(Cc1csc(COc2ccc(Cl)cc2)n1)c1nc[n-]n1 ZINC000153042286 544726325 /nfs/dbraw/zinc/72/63/25/544726325.db2.gz IJHNNVOUKLZVMB-UHFFFAOYSA-N -1 1 370.843 2.468 20 0 FEADMM CC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000152906718 544709242 /nfs/dbraw/zinc/70/92/42/544709242.db2.gz KSRLWFMLXXQAOW-GXFFZTMASA-N -1 1 364.464 2.054 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000154322467 544891326 /nfs/dbraw/zinc/89/13/26/544891326.db2.gz KGKFUMZCCKWBOB-VXGBXAGGSA-N -1 1 353.216 2.038 20 0 FEADMM CCC[C@H](NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000154598999 544926205 /nfs/dbraw/zinc/92/62/05/544926205.db2.gz NOMURUZMLYYNKS-LBPRGKRZSA-N -1 1 370.335 2.448 20 0 FEADMM COC(=O)c1cnoc1COC(=O)c1ccc(Br)c([O-])c1 ZINC000803402852 674240732 /nfs/dbraw/zinc/24/07/32/674240732.db2.gz PQNUDGSACHLYQA-UHFFFAOYSA-N -1 1 356.128 2.286 20 0 FEADMM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000180066990 327669984 /nfs/dbraw/zinc/66/99/84/327669984.db2.gz NMTRXRXHFLRJOH-UHFFFAOYSA-N -1 1 364.349 2.047 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)[C@H](C)CC ZINC000185861416 327936177 /nfs/dbraw/zinc/93/61/77/327936177.db2.gz DZKTUKWRMHKIFK-IAQYHMDHSA-N -1 1 354.428 2.225 20 0 FEADMM CCOc1cc(C(=O)NCc2cccnc2-n2cncn2)cc(Cl)c1[O-] ZINC000186616603 327971210 /nfs/dbraw/zinc/97/12/10/327971210.db2.gz XDCJPYKSIJENTD-UHFFFAOYSA-N -1 1 373.800 2.350 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-n2nnnc2C)c1 ZINC000187419526 328024279 /nfs/dbraw/zinc/02/42/79/328024279.db2.gz NVJVNYSLUDLEAT-UHFFFAOYSA-N -1 1 361.402 2.473 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1C ZINC000187887625 328052773 /nfs/dbraw/zinc/05/27/73/328052773.db2.gz MGHCAIINFSWRAF-KOLCDFICSA-N -1 1 356.216 2.426 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC[C@@H](O)C1)c1cc(Br)c(F)cc1F ZINC000188334130 328081457 /nfs/dbraw/zinc/08/14/57/328081457.db2.gz KTSBWQXBASRWCG-HTQZYQBOSA-N -1 1 370.215 2.167 20 0 FEADMM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188460106 328088365 /nfs/dbraw/zinc/08/83/65/328088365.db2.gz OVHDTANOLCCOBN-SSDOTTSWSA-N -1 1 357.234 2.278 20 0 FEADMM C[C@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCCCC1=O ZINC000188755433 328108914 /nfs/dbraw/zinc/10/89/14/328108914.db2.gz CLLYSPHQZSKMRG-SNVBAGLBSA-N -1 1 355.232 2.286 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)c1nn[n-]n1 ZINC000188792069 328111074 /nfs/dbraw/zinc/11/10/74/328111074.db2.gz XDUSSWIUUMXBPJ-UWVGGRQHSA-N -1 1 357.336 2.248 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCOCC12CCC2 ZINC000189684205 328161929 /nfs/dbraw/zinc/16/19/29/328161929.db2.gz HMNWKNKGELTOLS-UHFFFAOYSA-N -1 1 373.190 2.392 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)o1 ZINC000190672382 328223768 /nfs/dbraw/zinc/22/37/68/328223768.db2.gz FZCQUAODDJDDJW-SNVBAGLBSA-N -1 1 368.377 2.238 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000191352391 328261441 /nfs/dbraw/zinc/26/14/41/328261441.db2.gz ZODMEYMHBQRKQU-UHFFFAOYSA-N -1 1 368.368 2.141 20 0 FEADMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191853302 328285036 /nfs/dbraw/zinc/28/50/36/328285036.db2.gz YHFXYICWVIQEOQ-UHFFFAOYSA-N -1 1 357.234 2.183 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)N1CCOCC1 ZINC000191876593 328286449 /nfs/dbraw/zinc/28/64/49/328286449.db2.gz PJORDHGVCXYRJY-VIFPVBQESA-N -1 1 371.261 2.132 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1-n1cc(Br)cn1 ZINC000193117050 328358334 /nfs/dbraw/zinc/35/83/34/328358334.db2.gz SFVCHCSMNQFHHO-SNVBAGLBSA-N -1 1 374.260 2.411 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000193554044 328381486 /nfs/dbraw/zinc/38/14/86/328381486.db2.gz GPXRTAFQCWKPBF-QMMMGPOBSA-N -1 1 351.350 2.089 20 0 FEADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cncnc1-n1cccn1 ZINC000194701810 328435889 /nfs/dbraw/zinc/43/58/89/328435889.db2.gz VBJMHOLTZOULFO-UHFFFAOYSA-N -1 1 367.793 2.397 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCn2cccc2[C@H]1C ZINC000194727231 328437162 /nfs/dbraw/zinc/43/71/62/328437162.db2.gz CYNJDCNSYZDFEI-CQSZACIVSA-N -1 1 353.426 2.389 20 0 FEADMM CO[C@H]1CC[C@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000231805698 328487758 /nfs/dbraw/zinc/48/77/58/328487758.db2.gz ILXAZBSXBFPKSI-UWVGGRQHSA-N -1 1 361.179 2.294 20 0 FEADMM CC[C@H]1COCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000230895208 328487602 /nfs/dbraw/zinc/48/76/02/328487602.db2.gz XOPLMFBYWCSKIR-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(OC(C)C)nc1 ZINC000081552833 325183789 /nfs/dbraw/zinc/18/37/89/325183789.db2.gz DPPWDILSGZSLFM-UHFFFAOYSA-N -1 1 358.442 2.488 20 0 FEADMM CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(Br)cc1[O-] ZINC000091983333 325399610 /nfs/dbraw/zinc/39/96/10/325399610.db2.gz KKODTUHILCMWHZ-UHFFFAOYSA-N -1 1 364.261 2.098 20 0 FEADMM CC(C)(C)[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000093098363 325433721 /nfs/dbraw/zinc/43/37/21/325433721.db2.gz BXECLLCVHRBENG-NSHDSACASA-N -1 1 360.349 2.217 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1cccs1)C1CC1 ZINC000103941563 325529295 /nfs/dbraw/zinc/52/92/95/325529295.db2.gz HLKBOTWYAMIKIX-UHFFFAOYSA-N -1 1 356.451 2.435 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCCC1 ZINC000113304378 325840857 /nfs/dbraw/zinc/84/08/57/325840857.db2.gz AEFSPUBDPONYMD-UHFFFAOYSA-N -1 1 364.389 2.031 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(c3ccc(O)cc3)CC1)c2=O ZINC000119124468 326129200 /nfs/dbraw/zinc/12/92/00/326129200.db2.gz FAJBYGXQAWCBEE-UHFFFAOYSA-N -1 1 352.394 2.399 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(n3cc(Cl)cn3)CC1)c2=O ZINC000119496943 326168649 /nfs/dbraw/zinc/16/86/49/326168649.db2.gz DDDWZCDBURNUJF-UHFFFAOYSA-N -1 1 360.805 2.001 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2N(C)C)co1 ZINC000120273137 326245955 /nfs/dbraw/zinc/24/59/55/326245955.db2.gz HNCVMMVOSOGSTM-UHFFFAOYSA-N -1 1 357.819 2.159 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2oc3ccc(F)cc3c2C)o1 ZINC000120736985 326283401 /nfs/dbraw/zinc/28/34/01/326283401.db2.gz HWJAOWCBIGMQTG-UHFFFAOYSA-N -1 1 366.370 2.311 20 0 FEADMM CC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121008231 326306031 /nfs/dbraw/zinc/30/60/31/326306031.db2.gz SACKSAIWUNOOKN-ZETCQYMHSA-N -1 1 358.204 2.167 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)o1 ZINC000122187758 326387010 /nfs/dbraw/zinc/38/70/10/326387010.db2.gz JLDCBBAPUDGZCC-CQSZACIVSA-N -1 1 362.451 2.454 20 0 FEADMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1ccco1 ZINC000123862481 326443669 /nfs/dbraw/zinc/44/36/69/326443669.db2.gz RJWVNIZNIBQKNO-LLVKDONJSA-N -1 1 361.851 2.359 20 0 FEADMM C[C@@H](CN1CCCCC1)NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000126685639 326493321 /nfs/dbraw/zinc/49/33/21/326493321.db2.gz OMMLRMFSLIOXIW-LBPRGKRZSA-N -1 1 363.487 2.000 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1cnc2ccccc2c1 ZINC000130918977 326565674 /nfs/dbraw/zinc/56/56/74/326565674.db2.gz DDFIDUPZGYPWLY-UHFFFAOYSA-N -1 1 361.405 2.047 20 0 FEADMM O=c1oc2ccccc2n1CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131630695 326578435 /nfs/dbraw/zinc/57/84/35/326578435.db2.gz DCPGXRWTSVBXPV-UHFFFAOYSA-N -1 1 370.789 2.366 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000131660067 326579359 /nfs/dbraw/zinc/57/93/59/326579359.db2.gz JXOYIQSDLGFGOJ-HNNXBMFYSA-N -1 1 366.421 2.104 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)co1 ZINC000132400862 326592003 /nfs/dbraw/zinc/59/20/03/326592003.db2.gz JSHPSRQOGLLPTK-QWHCGFSZSA-N -1 1 354.815 2.127 20 0 FEADMM COCCC1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCCC1 ZINC000133337803 326607021 /nfs/dbraw/zinc/60/70/21/326607021.db2.gz CRDYKOBLTIEVOU-UHFFFAOYSA-N -1 1 367.515 2.446 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)co1 ZINC000133519968 326610232 /nfs/dbraw/zinc/61/02/32/326610232.db2.gz MVGJZBJPQOCLIC-GFCCVEGCSA-N -1 1 368.842 2.471 20 0 FEADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1noc(-c2ccccc2)n1 ZINC000152209112 326701687 /nfs/dbraw/zinc/70/16/87/326701687.db2.gz QUYJRWXCCCTFDC-LLVKDONJSA-N -1 1 361.361 2.464 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c1 ZINC000152296735 326703636 /nfs/dbraw/zinc/70/36/36/326703636.db2.gz DDXCBSKQCHYHPP-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC(C)(C)C2)o1 ZINC000155616990 326796397 /nfs/dbraw/zinc/79/63/97/326796397.db2.gz JLIGNVHBMOMQFE-NSHDSACASA-N -1 1 358.460 2.044 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)OCc1ccccc1 ZINC000156099882 326817482 /nfs/dbraw/zinc/81/74/82/326817482.db2.gz WKOURMBMAIJNCY-UHFFFAOYSA-N -1 1 364.405 2.273 20 0 FEADMM CCC(=O)N1CCCC[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000156359302 326828142 /nfs/dbraw/zinc/82/81/42/326828142.db2.gz IMMMRRAXTMVYKS-VIFPVBQESA-N -1 1 356.220 2.279 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCN(C)c1ccccc1 ZINC000159318548 326927332 /nfs/dbraw/zinc/92/73/32/326927332.db2.gz NCUPORUKRPDOMT-UHFFFAOYSA-N -1 1 367.453 2.237 20 0 FEADMM COc1ccc(CN2C[C@H](C(=O)[N-]OCCC(F)(F)F)CC2=O)cc1 ZINC000162901230 327037506 /nfs/dbraw/zinc/03/75/06/327037506.db2.gz IAJKPUYXDPXCGU-GFCCVEGCSA-N -1 1 360.332 2.044 20 0 FEADMM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1cccc(F)c1F ZINC000170661078 327091988 /nfs/dbraw/zinc/09/19/88/327091988.db2.gz PLMCFSZSLVVAMJ-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1cc(F)c(F)cc1F ZINC000170939779 327108497 /nfs/dbraw/zinc/10/84/97/327108497.db2.gz FWRMQFQRHLPBRG-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1nccn1CC(C)C ZINC000171010364 327112261 /nfs/dbraw/zinc/11/22/61/327112261.db2.gz STWUHVARAIPIFO-UHFFFAOYSA-N -1 1 366.425 2.174 20 0 FEADMM COC[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000171423023 327138594 /nfs/dbraw/zinc/13/85/94/327138594.db2.gz PHXAWIMJRURWSD-ZETCQYMHSA-N -1 1 358.204 2.288 20 0 FEADMM O=C(CCn1ccnn1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000171959070 327172935 /nfs/dbraw/zinc/17/29/35/327172935.db2.gz DJSFTGJBNDWFKU-UHFFFAOYSA-N -1 1 371.422 2.108 20 0 FEADMM COCCOCc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1F ZINC000173200865 327240871 /nfs/dbraw/zinc/24/08/71/327240871.db2.gz GGYIMQPRMSIEHT-UHFFFAOYSA-N -1 1 362.283 2.378 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000173471297 327259732 /nfs/dbraw/zinc/25/97/32/327259732.db2.gz UVQSOINCQXOCIO-QMMMGPOBSA-N -1 1 361.389 2.364 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000174372417 327323153 /nfs/dbraw/zinc/32/31/53/327323153.db2.gz XOUYBFQSSHPEDB-RHSMWYFYSA-N -1 1 352.438 2.474 20 0 FEADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc[nH]n1 ZINC000174526159 327332506 /nfs/dbraw/zinc/33/25/06/327332506.db2.gz MTGOBWGJHXPMQS-GFCCVEGCSA-N -1 1 371.422 2.097 20 0 FEADMM COc1ccc(-c2cc3[n-]c(CN4CC[C@H](CO)C4)nc(=O)c3s2)cc1 ZINC000174709159 327344755 /nfs/dbraw/zinc/34/47/55/327344755.db2.gz GJHNPCVXJAQKSD-LBPRGKRZSA-N -1 1 371.462 2.474 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1F ZINC000174711369 327344913 /nfs/dbraw/zinc/34/49/13/327344913.db2.gz INDUDYBBXMHOJF-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM CCc1nnnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000174740309 327347325 /nfs/dbraw/zinc/34/73/25/327347325.db2.gz GUBYSVLIDYESAE-UHFFFAOYSA-N -1 1 361.402 2.473 20 0 FEADMM CC[C@@](C)(O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000174781560 327350520 /nfs/dbraw/zinc/35/05/20/327350520.db2.gz WEZSZADPYKUDDY-GOSISDBHSA-N -1 1 362.451 2.378 20 0 FEADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCS1 ZINC000174790218 327351507 /nfs/dbraw/zinc/35/15/07/327351507.db2.gz ZCLWNUQZGARTID-OAHLLOKOSA-N -1 1 372.494 2.427 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1OC ZINC000265199634 329101392 /nfs/dbraw/zinc/10/13/92/329101392.db2.gz CFSYISUQZNARAX-HSZRJFAPSA-N -1 1 369.464 2.383 20 0 FEADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000265246049 329106864 /nfs/dbraw/zinc/10/68/64/329106864.db2.gz KBQJKUNUDMRSRF-QHCPKHFHSA-N -1 1 367.448 2.137 20 0 FEADMM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000265655632 329147082 /nfs/dbraw/zinc/14/70/82/329147082.db2.gz ZSYAFKJCPCPTSP-CQSZACIVSA-N -1 1 372.421 2.083 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265949329 329175689 /nfs/dbraw/zinc/17/56/89/329175689.db2.gz HCSIEDFDALTRDZ-IAOVAPTHSA-N -1 1 368.437 2.025 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(SC)CCOCC2)c(=O)[n-]1 ZINC000266145151 329194474 /nfs/dbraw/zinc/19/44/74/329194474.db2.gz ZCUPFCAOEDZJEI-UHFFFAOYSA-N -1 1 371.528 2.174 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1nnc2n1CCCCC2 ZINC000266999120 329281622 /nfs/dbraw/zinc/28/16/22/329281622.db2.gz XRJABVSTPGAQFV-UHFFFAOYSA-N -1 1 372.473 2.079 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccc(C)o1 ZINC000267013579 329283154 /nfs/dbraw/zinc/28/31/54/329283154.db2.gz IIGDKZHRWJYDMN-NSHDSACASA-N -1 1 359.425 2.102 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@](C)(O)C3)c2)cc1 ZINC000267293801 329311513 /nfs/dbraw/zinc/31/15/13/329311513.db2.gz ZQLLMZLYARCUBM-IBGZPJMESA-N -1 1 374.462 2.393 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)c1 ZINC000268382375 329413813 /nfs/dbraw/zinc/41/38/13/329413813.db2.gz ZJPPSPARKJORCC-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM Cc1nc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000269293015 329504824 /nfs/dbraw/zinc/50/48/24/329504824.db2.gz OTWSAWGQCSVUON-UHFFFAOYSA-N -1 1 365.430 2.475 20 0 FEADMM COc1ccc([C@H]2[C@H](C(=O)[N-]OCc3cccnc3)CCC(=O)N2C)cc1 ZINC000269604142 329533597 /nfs/dbraw/zinc/53/35/97/329533597.db2.gz NMDSDZGSLNZRJI-MJGOQNOKSA-N -1 1 369.421 2.248 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC2CCOCC2)c1)OCC(F)(F)F ZINC000271290177 329680522 /nfs/dbraw/zinc/68/05/22/329680522.db2.gz RSVRUPLCSVHXCW-UHFFFAOYSA-N -1 1 362.304 2.412 20 0 FEADMM C[C@H](CCO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271463037 329695654 /nfs/dbraw/zinc/69/56/54/329695654.db2.gz TXUOSONQIBYCPI-MRVPVSSYSA-N -1 1 350.293 2.004 20 0 FEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(N4CCOC4=O)cc3)cc21 ZINC000271914881 329736780 /nfs/dbraw/zinc/73/67/80/329736780.db2.gz YQIVYIUQXOAGBS-UHFFFAOYSA-N -1 1 373.434 2.436 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2([C@H](O)C(C)C)CC2)c(=O)[n-]1 ZINC000271926222 329737871 /nfs/dbraw/zinc/73/78/71/329737871.db2.gz ULKGVHXMKFQBMJ-CQSZACIVSA-N -1 1 353.488 2.058 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@@H](C)OC)c1 ZINC000272849090 329817620 /nfs/dbraw/zinc/81/76/20/329817620.db2.gz HONZCSUQGPNKFV-GFCCVEGCSA-N -1 1 358.460 2.176 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NCC(=O)C2CC2)c1)OCC(F)(F)F ZINC000272972469 329827510 /nfs/dbraw/zinc/82/75/10/329827510.db2.gz SDDXXESPGFFSHP-UHFFFAOYSA-N -1 1 360.288 2.212 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000273346023 329857384 /nfs/dbraw/zinc/85/73/84/329857384.db2.gz BGRJWZCXJAWJBI-FXAWDEMLSA-N -1 1 368.437 2.169 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CCc3nnc(C)n3C2)cc(Cl)c1[O-] ZINC000273984677 329907014 /nfs/dbraw/zinc/90/70/14/329907014.db2.gz VLGINNWVWJVYGP-LLVKDONJSA-N -1 1 364.833 2.337 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000274235102 329929358 /nfs/dbraw/zinc/92/93/58/329929358.db2.gz AUQVGOLDFNICCP-NSHDSACASA-N -1 1 355.441 2.004 20 0 FEADMM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000274246703 329930668 /nfs/dbraw/zinc/93/06/68/329930668.db2.gz YIZUISUNSZHYAL-UHFFFAOYSA-N -1 1 355.243 2.399 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cc(Cl)c1[O-] ZINC000275463664 330051770 /nfs/dbraw/zinc/05/17/70/330051770.db2.gz XKDSGWFZISNHJW-WFASDCNBSA-N -1 1 365.817 2.438 20 0 FEADMM CO[C@@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC[C@@H]1C ZINC000275850234 330096280 /nfs/dbraw/zinc/09/62/80/330096280.db2.gz BBYRDAXDGNVCKX-SUMWQHHRSA-N -1 1 370.453 2.369 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc(Cl)c1[O-] ZINC000281813143 330175912 /nfs/dbraw/zinc/17/59/12/330175912.db2.gz UXPCDUWRJMZHHV-PWSUYJOCSA-N -1 1 354.790 2.015 20 0 FEADMM O=C(NCCS(=O)(=O)[N-][C@H]1CCCC1(F)F)OCc1ccccc1 ZINC000805143829 674322994 /nfs/dbraw/zinc/32/29/94/674322994.db2.gz QAMHLTBEUYDKAI-ZDUSSCGKSA-N -1 1 362.398 2.020 20 0 FEADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000554687713 674330277 /nfs/dbraw/zinc/33/02/77/674330277.db2.gz QWKBQYVIQUJXPF-UHFFFAOYSA-N -1 1 367.224 2.493 20 0 FEADMM CNC(=O)CCOc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000554864006 674338866 /nfs/dbraw/zinc/33/88/66/674338866.db2.gz MLZWECBHVCIGIC-UHFFFAOYSA-N -1 1 350.321 2.438 20 0 FEADMM CCCCOC(=O)[C@H](C)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788765 674354353 /nfs/dbraw/zinc/35/43/53/674354353.db2.gz SGVGWTKOPUWXSX-CYDGBPFRSA-N -1 1 352.397 2.496 20 0 FEADMM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1cc(F)ccc1F ZINC000555457336 674362688 /nfs/dbraw/zinc/36/26/88/674362688.db2.gz SJYVQLUQVGLNJL-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM O=S(=O)([N-]C1CCN(c2cccnn2)CC1)c1cc2ccccc2o1 ZINC000555644776 674370869 /nfs/dbraw/zinc/37/08/69/674370869.db2.gz CMJQJSZPNMCIFO-UHFFFAOYSA-N -1 1 358.423 2.170 20 0 FEADMM Cc1cc(C(=O)Nc2nc(SCCO)n[nH]2)ccc1Br ZINC000155333011 545513114 /nfs/dbraw/zinc/51/31/14/545513114.db2.gz WKZKNVVKBYXHFF-UHFFFAOYSA-N -1 1 357.233 2.212 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(CC)CC ZINC000155508523 545534964 /nfs/dbraw/zinc/53/49/64/545534964.db2.gz JWJCFJBPWAQABL-UONOGXRCSA-N -1 1 372.487 2.244 20 0 FEADMM Cn1[n-]c(=NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1OC(F)F ZINC000488371374 538734077 /nfs/dbraw/zinc/73/40/77/538734077.db2.gz SNTYTFNFPZGUQC-UHFFFAOYSA-N -1 1 360.317 2.443 20 0 FEADMM CO[C@@H](C)c1noc(CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])n1 ZINC000477287948 561141278 /nfs/dbraw/zinc/14/12/78/561141278.db2.gz XQDXZZKAGSSWLY-JTQLQIEISA-N -1 1 357.370 2.006 20 0 FEADMM CO[C@@H](C)c1noc(CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)n1 ZINC000477287948 561141279 /nfs/dbraw/zinc/14/12/79/561141279.db2.gz XQDXZZKAGSSWLY-JTQLQIEISA-N -1 1 357.370 2.006 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(Cc3ccccc3)CCC2)co1 ZINC000156291697 545615473 /nfs/dbraw/zinc/61/54/73/545615473.db2.gz WSRYYLZIDDLZIO-UHFFFAOYSA-N -1 1 362.451 2.331 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000477347244 561142729 /nfs/dbraw/zinc/14/27/29/561142729.db2.gz GPYNWOGBICRXRY-GFCCVEGCSA-N -1 1 361.423 2.135 20 0 FEADMM Cc1cnc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c([O-])c1 ZINC000478150815 561160942 /nfs/dbraw/zinc/16/09/42/561160942.db2.gz OMGKHJJUESAKKW-LLVKDONJSA-N -1 1 356.300 2.458 20 0 FEADMM Cc1noc(CSc2ccc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)cc2)n1 ZINC000478584060 561170269 /nfs/dbraw/zinc/17/02/69/561170269.db2.gz KEWLMMCCBXTSME-JTQLQIEISA-N -1 1 373.442 2.059 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1nn[n-]n1 ZINC000478592510 561170430 /nfs/dbraw/zinc/17/04/30/561170430.db2.gz NEWIBWGIIJYIBW-ZDUSSCGKSA-N -1 1 372.473 2.194 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F)c1nn[n-]n1 ZINC000478601253 561170766 /nfs/dbraw/zinc/17/07/66/561170766.db2.gz VONZFFNNJHSQJR-ADEWGFFLSA-N -1 1 351.357 2.167 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)ccc1OC ZINC000478697951 561173022 /nfs/dbraw/zinc/17/30/22/561173022.db2.gz NSOUVCVVRZZEBN-UHFFFAOYSA-N -1 1 363.391 2.218 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)o1 ZINC000479221281 561185108 /nfs/dbraw/zinc/18/51/08/561185108.db2.gz FXQGHSCRXIBODA-GFCCVEGCSA-N -1 1 353.396 2.202 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)NC(=O)CC3)OCO2 ZINC000479237731 561185533 /nfs/dbraw/zinc/18/55/33/561185533.db2.gz VKPNWFCSNVKWEL-UHFFFAOYSA-N -1 1 360.391 2.409 20 0 FEADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2F)c1 ZINC000172504428 546254276 /nfs/dbraw/zinc/25/42/76/546254276.db2.gz BLJAMMXVAMMEGK-UHFFFAOYSA-N -1 1 374.397 2.220 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2OC)ccc1OC ZINC000479572465 561192216 /nfs/dbraw/zinc/19/22/16/561192216.db2.gz DPJORLRCVCSNEM-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cn([C@H]2CCOC2)nn1 ZINC000480163701 561203974 /nfs/dbraw/zinc/20/39/74/561203974.db2.gz JZUURPZHUCIDMG-JTQLQIEISA-N -1 1 374.451 2.495 20 0 FEADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000176685409 546476313 /nfs/dbraw/zinc/47/63/13/546476313.db2.gz QKSWDPHSSNTSRO-GOEBONIOSA-N -1 1 372.446 2.154 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1nn[n-]n1 ZINC000176752526 546483918 /nfs/dbraw/zinc/48/39/18/546483918.db2.gz JVAMNVDLCMNFHV-JOYOIKCWSA-N -1 1 368.235 2.387 20 0 FEADMM CCC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nn[n-]n1 ZINC000176755183 546484532 /nfs/dbraw/zinc/48/45/32/546484532.db2.gz HYJPUQOXWMNKTJ-INIZCTEOSA-N -1 1 353.430 2.202 20 0 FEADMM O=C(CCc1nnc[nH]1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000176822228 546493671 /nfs/dbraw/zinc/49/36/71/546493671.db2.gz JPDJFIWBQHTRMN-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)o1 ZINC000480854847 561218403 /nfs/dbraw/zinc/21/84/03/561218403.db2.gz UCZRXOADQSCRNF-LBPRGKRZSA-N -1 1 351.380 2.128 20 0 FEADMM C[C@@H](O)CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000177452012 546621480 /nfs/dbraw/zinc/62/14/80/546621480.db2.gz JQTSIJABCOGERM-CQSZACIVSA-N -1 1 362.451 2.330 20 0 FEADMM CCS[C@H]1CCC[C@@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000178035506 546727611 /nfs/dbraw/zinc/72/76/11/546727611.db2.gz SMNOLHWWGWYCMA-HOTGVXAUSA-N -1 1 372.494 2.473 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000178189570 546755334 /nfs/dbraw/zinc/75/53/34/546755334.db2.gz AARKAEPGNHINLP-UHFFFAOYSA-N -1 1 356.407 2.237 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)ccc1[O-] ZINC000481609736 561237239 /nfs/dbraw/zinc/23/72/39/561237239.db2.gz YVFXTCFWYKNVAV-UHFFFAOYSA-N -1 1 362.407 2.476 20 0 FEADMM CCOC(=O)Cn1cnc(-c2nc3scc(CC(C)C)c3c(=O)[n-]2)n1 ZINC000178838861 546859038 /nfs/dbraw/zinc/85/90/38/546859038.db2.gz QGCNKBYYXNZSKQ-UHFFFAOYSA-N -1 1 361.427 2.005 20 0 FEADMM CN(C)c1nc(CSc2nc([O-])cc(=O)n2C2CCCC2)ns1 ZINC000179343795 546935682 /nfs/dbraw/zinc/93/56/82/546935682.db2.gz QIIMXPHAQBGETC-UHFFFAOYSA-N -1 1 353.473 2.274 20 0 FEADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@@H](c2ccccc2)O1 ZINC000179454453 546956704 /nfs/dbraw/zinc/95/67/04/546956704.db2.gz VVAFHTYKEULZLH-LRDDRELGSA-N -1 1 352.394 2.276 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000179539793 546973381 /nfs/dbraw/zinc/97/33/81/546973381.db2.gz XFGZISODEMJVEJ-UHFFFAOYSA-N -1 1 366.826 2.363 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c1Cl ZINC000179985831 547036848 /nfs/dbraw/zinc/03/68/48/547036848.db2.gz KKZCCDHMZDRWDB-LLVKDONJSA-N -1 1 359.810 2.405 20 0 FEADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H](C)CS(C)(=O)=O ZINC000180533230 547126321 /nfs/dbraw/zinc/12/63/21/547126321.db2.gz FLJITWPFVUWIOM-SECBINFHSA-N -1 1 353.362 2.306 20 0 FEADMM CCC(CC)[C@H]1C[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCO1 ZINC000180845778 547193743 /nfs/dbraw/zinc/19/37/43/547193743.db2.gz VERAUECBLWKJGC-DOTOQJQBSA-N -1 1 374.485 2.282 20 0 FEADMM C[C@H](O)[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000181009585 547229682 /nfs/dbraw/zinc/22/96/82/547229682.db2.gz ZVCRQMZMHNKTPQ-HOCLYGCPSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1c(F)cccc1F ZINC000181031867 547235497 /nfs/dbraw/zinc/23/54/97/547235497.db2.gz PMCUHSSOMKYHET-QMMMGPOBSA-N -1 1 356.350 2.060 20 0 FEADMM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc([O-])cc1F ZINC000181127585 547255087 /nfs/dbraw/zinc/25/50/87/547255087.db2.gz WYSCTTFNKQXTQO-UHFFFAOYSA-N -1 1 361.392 2.222 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cccc1N(C)C ZINC000181158192 547260921 /nfs/dbraw/zinc/26/09/21/547260921.db2.gz HKMTVASZKXQPOK-UHFFFAOYSA-N -1 1 359.451 2.148 20 0 FEADMM COc1cc(NC(=O)N2CCS[C@H](C)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000483332546 561274482 /nfs/dbraw/zinc/27/44/82/561274482.db2.gz BTDGTZQYTVVDHA-WDEREUQCSA-N -1 1 373.500 2.424 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2CCCSC2)ccc1[N-]S(C)(=O)=O ZINC000483615812 561280761 /nfs/dbraw/zinc/28/07/61/561280761.db2.gz QGWGALGJJHCRIK-LLVKDONJSA-N -1 1 359.473 2.084 20 0 FEADMM CN(C)C(=O)CC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000182578330 547516285 /nfs/dbraw/zinc/51/62/85/547516285.db2.gz KZPLGQZWTAOKMZ-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM CN(Cc1cc[nH]n1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000484040346 561290181 /nfs/dbraw/zinc/29/01/81/561290181.db2.gz XBSULMHYTBMCOL-UHFFFAOYSA-N -1 1 370.434 2.483 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OC)c1O ZINC000484049291 561290429 /nfs/dbraw/zinc/29/04/29/561290429.db2.gz WVPHUPMUZCYITQ-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000183317902 547638326 /nfs/dbraw/zinc/63/83/26/547638326.db2.gz WXMDPZGPWBJDPD-SFYZADRCSA-N -1 1 370.290 2.377 20 0 FEADMM COc1cc(C=CC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc(Cl)c1OC ZINC000183402356 547652086 /nfs/dbraw/zinc/65/20/86/547652086.db2.gz SFXOSAIEHVPHGC-PORFMDCZSA-N -1 1 365.821 2.146 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)c1 ZINC000183571397 547683553 /nfs/dbraw/zinc/68/35/53/547683553.db2.gz GBXOSMROAQGAIN-UHFFFAOYSA-N -1 1 367.327 2.176 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(NS(C)(=O)=O)c1 ZINC000484622870 561301420 /nfs/dbraw/zinc/30/14/20/561301420.db2.gz UDWQMYKQXRCRLG-UHFFFAOYSA-N -1 1 370.452 2.005 20 0 FEADMM CCC1(CC)CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC[S@]1=O ZINC000184057906 547761744 /nfs/dbraw/zinc/76/17/44/547761744.db2.gz PMQYGMVTVFQCBJ-RUZDIDTESA-N -1 1 361.467 2.407 20 0 FEADMM CCC1(CC)CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC[S@]1=O ZINC000184057906 547761751 /nfs/dbraw/zinc/76/17/51/547761751.db2.gz PMQYGMVTVFQCBJ-RUZDIDTESA-N -1 1 361.467 2.407 20 0 FEADMM CC(C)Cc1ccc(CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000485086187 561312217 /nfs/dbraw/zinc/31/22/17/561312217.db2.gz DJCZHQUSJKTTRH-UHFFFAOYSA-N -1 1 359.499 2.210 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1ccccc1 ZINC000185743141 548028506 /nfs/dbraw/zinc/02/85/06/548028506.db2.gz VDMDTJAWXPINGI-INIZCTEOSA-N -1 1 360.391 2.162 20 0 FEADMM COCCO[C@@H]1COCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000486031300 561336001 /nfs/dbraw/zinc/33/60/01/561336001.db2.gz SXTIGAMIOQDOPA-HZPDHXFCSA-N -1 1 374.441 2.093 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1F ZINC000486565109 561350953 /nfs/dbraw/zinc/35/09/53/561350953.db2.gz KZYQDQWBFHKEOU-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(Cc1ccc(F)cc1)CC1CC1 ZINC000486775511 561356203 /nfs/dbraw/zinc/35/62/03/561356203.db2.gz DSEIPXOWMGHFAV-UHFFFAOYSA-N -1 1 357.385 2.095 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCc2ccc(OC(F)F)cc2)n1 ZINC000195067294 548572091 /nfs/dbraw/zinc/57/20/91/548572091.db2.gz YNFHJMQHEFBCCL-UHFFFAOYSA-N -1 1 369.393 2.342 20 0 FEADMM O=C(CCS(=O)(=O)c1nc(Cc2ccccc2)n[n-]1)Nc1ccccc1 ZINC000195284428 548612231 /nfs/dbraw/zinc/61/22/31/548612231.db2.gz YCOOAPSGJGFHMK-UHFFFAOYSA-N -1 1 370.434 2.198 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(Cc2ccccc2)n1)Nc1ccccc1 ZINC000195284428 548612236 /nfs/dbraw/zinc/61/22/36/548612236.db2.gz YCOOAPSGJGFHMK-UHFFFAOYSA-N -1 1 370.434 2.198 20 0 FEADMM CC(C)[C@@H](CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000230901281 548762490 /nfs/dbraw/zinc/76/24/90/548762490.db2.gz JHBMVXIBXFVKME-LLVKDONJSA-N -1 1 363.195 2.134 20 0 FEADMM CC1(NC(=O)c2ccc(I)c([O-])c2)CCOCC1 ZINC000230903739 548762941 /nfs/dbraw/zinc/76/29/41/548762941.db2.gz KAFZVNJNWZXIPK-UHFFFAOYSA-N -1 1 361.179 2.296 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCCCCOC1CCCCC1 ZINC000487650698 561373331 /nfs/dbraw/zinc/37/33/31/561373331.db2.gz WMTWPEHMYWJWDA-UHFFFAOYSA-N -1 1 363.458 2.153 20 0 FEADMM O=C([O-])COc1ccc(CCNC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000237990507 548869561 /nfs/dbraw/zinc/86/95/61/548869561.db2.gz GCMUOVIHQSBTOK-UHFFFAOYSA-N -1 1 357.341 2.138 20 0 FEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)CNC(=O)c2ncccc2[O-])s1 ZINC000489605297 561415268 /nfs/dbraw/zinc/41/52/68/561415268.db2.gz OIXQVYZHVAEFTL-LLVKDONJSA-N -1 1 362.455 2.064 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H]1CCC[C@@H]1C ZINC000489779752 561418998 /nfs/dbraw/zinc/41/89/98/561418998.db2.gz HMYDJPGZHAIHHP-LRDDRELGSA-N -1 1 360.458 2.258 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](CO)c1ccccc1Cl ZINC000489670481 561416637 /nfs/dbraw/zinc/41/66/37/561416637.db2.gz GTUFCQCXIQSNSR-JTQLQIEISA-N -1 1 367.858 2.372 20 0 FEADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1)C(F)(F)F ZINC000489823783 561419703 /nfs/dbraw/zinc/41/97/03/561419703.db2.gz CRKQWJORADNUQR-PRHODGIISA-N -1 1 368.377 2.432 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(=O)[n-]1 ZINC000253544088 549693021 /nfs/dbraw/zinc/69/30/21/549693021.db2.gz BTWOFZYRHHJMNO-IACUBPJLSA-N -1 1 351.472 2.075 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(O)c2)c1 ZINC000490031604 561424845 /nfs/dbraw/zinc/42/48/45/561424845.db2.gz HVLXJQGWSCFCFC-UHFFFAOYSA-N -1 1 364.423 2.381 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC2(CCCC2)c2ccccc21 ZINC000490122557 561427251 /nfs/dbraw/zinc/42/72/51/561427251.db2.gz LHHPOXBAVUZSTH-UHFFFAOYSA-N -1 1 351.406 2.376 20 0 FEADMM C[C@]1(CCc2ccccc2)CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000490129968 561427391 /nfs/dbraw/zinc/42/73/91/561427391.db2.gz VHOIZSXVNFGPRJ-NRFANRHFSA-N -1 1 367.449 2.388 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000490198776 561428615 /nfs/dbraw/zinc/42/86/15/561428615.db2.gz DOMXNEKHANVJAK-HOTGVXAUSA-N -1 1 353.422 2.360 20 0 FEADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000262223229 549799816 /nfs/dbraw/zinc/79/98/16/549799816.db2.gz XLELCYADFKQBOI-RBUKOAKNSA-N -1 1 352.434 2.463 20 0 FEADMM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000262978876 549867951 /nfs/dbraw/zinc/86/79/51/549867951.db2.gz UDAICRSRFYQHEJ-IBGZPJMESA-N -1 1 373.409 2.039 20 0 FEADMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1C(=O)[O-] ZINC000263236458 549888091 /nfs/dbraw/zinc/88/80/91/549888091.db2.gz RDVFLTQLYFCLFG-GMSGAONNSA-N -1 1 352.188 2.118 20 0 FEADMM CN(c1ccccc1)c1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cn1 ZINC000490565090 561435278 /nfs/dbraw/zinc/43/52/78/561435278.db2.gz KOLZTWXWUSVQKX-UHFFFAOYSA-N -1 1 370.438 2.304 20 0 FEADMM O=C([O-])CCCNC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000263465178 549903259 /nfs/dbraw/zinc/90/32/59/549903259.db2.gz JWLPMOZWNYKZCQ-CQSZACIVSA-N -1 1 357.414 2.226 20 0 FEADMM O=C([O-])CCCNC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000263465178 549903260 /nfs/dbraw/zinc/90/32/60/549903260.db2.gz JWLPMOZWNYKZCQ-CQSZACIVSA-N -1 1 357.414 2.226 20 0 FEADMM CCOCCN1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H]1CC ZINC000263474872 549903915 /nfs/dbraw/zinc/90/39/15/549903915.db2.gz MIBCVZKFPJUDPP-KRWDZBQOSA-N -1 1 363.458 2.027 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000268254044 550040526 /nfs/dbraw/zinc/04/05/26/550040526.db2.gz VJSVZPQTOXKROZ-LLVKDONJSA-N -1 1 351.453 2.488 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(CCO)CCCC2)c(=O)[n-]1 ZINC000268526972 550082404 /nfs/dbraw/zinc/08/24/04/550082404.db2.gz CUXRGRFJDBKDDR-UHFFFAOYSA-N -1 1 353.488 2.204 20 0 FEADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cnn(C)c3)n2)cc1 ZINC000268532301 550082920 /nfs/dbraw/zinc/08/29/20/550082920.db2.gz XSCDEEFDKUWMHV-NSHDSACASA-N -1 1 361.427 2.072 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000268644602 550098551 /nfs/dbraw/zinc/09/85/51/550098551.db2.gz CJVPRVTWMAHIHP-ZETCQYMHSA-N -1 1 360.798 2.088 20 0 FEADMM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000268796605 550117062 /nfs/dbraw/zinc/11/70/62/550117062.db2.gz OIROJAHWLRGVMM-LDYMZIIASA-N -1 1 365.318 2.272 20 0 FEADMM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000269037290 550147598 /nfs/dbraw/zinc/14/75/98/550147598.db2.gz XVSYYBJNTOSXTM-UHFFFAOYSA-N -1 1 373.316 2.044 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3cccc(N(C)C)c3)[nH]c21 ZINC000493006897 561453937 /nfs/dbraw/zinc/45/39/37/561453937.db2.gz XGRSSUSXCGRYTK-UHFFFAOYSA-N -1 1 374.422 2.216 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCC(C)(C)CO ZINC000269629058 550211718 /nfs/dbraw/zinc/21/17/18/550211718.db2.gz VPTGYEIRGICWIV-UHFFFAOYSA-N -1 1 372.469 2.400 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccncc2Br)c1C ZINC000270542813 550282115 /nfs/dbraw/zinc/28/21/15/550282115.db2.gz XXQWNGNXNSTEIV-UHFFFAOYSA-N -1 1 359.249 2.478 20 0 FEADMM 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COC(=O)CCCO[N-]C(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC000296162229 553114852 /nfs/dbraw/zinc/11/48/52/553114852.db2.gz SWTVEKCTPGLHNQ-UHFFFAOYSA-N -1 1 353.390 2.166 20 0 FEADMM C[C@H](N(C)C(=O)c1cc(I)ccc1[O-])C(C)(C)O ZINC000296727863 553203751 /nfs/dbraw/zinc/20/37/51/553203751.db2.gz ASHGBMUWZRMXAE-QMMMGPOBSA-N -1 1 363.195 2.228 20 0 FEADMM CCOC(=O)c1csc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000296882178 553224701 /nfs/dbraw/zinc/22/47/01/553224701.db2.gz XEBUXMBMBVJRDL-UHFFFAOYSA-N -1 1 365.377 2.215 20 0 FEADMM CC(=O)N1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC12CCCCC2 ZINC000296955123 553234547 /nfs/dbraw/zinc/23/45/47/553234547.db2.gz CHEYGGQUDRADJK-UHFFFAOYSA-N -1 1 373.482 2.025 20 0 FEADMM O=C(CSc1ccccc1Cl)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297625913 553317132 /nfs/dbraw/zinc/31/71/32/553317132.db2.gz BVBJGKDJHMTAJH-UHFFFAOYSA-N -1 1 351.819 2.081 20 0 FEADMM O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000297860357 553348923 /nfs/dbraw/zinc/34/89/23/553348923.db2.gz YNDDCYUVBSZAMR-BDAKNGLRSA-N -1 1 363.780 2.232 20 0 FEADMM Cc1ccc2nc(NC(=O)CN3CCCC[C@H]3c3nc(=O)[n-][nH]3)sc2c1 ZINC000298559671 553440500 /nfs/dbraw/zinc/44/05/00/553440500.db2.gz PGPPGJFRCDTOQX-LBPRGKRZSA-N -1 1 372.454 2.182 20 0 FEADMM CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cncc([O-])c1 ZINC000503603866 561645305 /nfs/dbraw/zinc/64/53/05/561645305.db2.gz YTQSNZOQXIIGNV-UHFFFAOYSA-N -1 1 366.377 2.466 20 0 FEADMM O=C(N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)C(F)(F)c1cccc(Cl)c1 ZINC000298898160 553486879 /nfs/dbraw/zinc/48/68/79/553486879.db2.gz KNWUDMJMHCMBJE-VIFPVBQESA-N -1 1 356.760 2.249 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1 ZINC000504236713 561654889 /nfs/dbraw/zinc/65/48/89/561654889.db2.gz UOCMJWLJHIQXMB-UHFFFAOYSA-N -1 1 369.370 2.274 20 0 FEADMM CCC(=O)N1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301343867 553644159 /nfs/dbraw/zinc/64/41/59/553644159.db2.gz GPUCKTVLSXGRSH-UHFFFAOYSA-N -1 1 355.442 2.310 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1C(F)F ZINC000505426141 561670981 /nfs/dbraw/zinc/67/09/81/561670981.db2.gz WLEGJRZPQCNNGJ-LBPRGKRZSA-N -1 1 363.368 2.136 20 0 FEADMM NC(=O)NCc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1 ZINC000505520457 561672933 /nfs/dbraw/zinc/67/29/33/561672933.db2.gz KWYUBGFTMZRTGF-UHFFFAOYSA-N -1 1 363.377 2.061 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000323849183 553770515 /nfs/dbraw/zinc/77/05/15/553770515.db2.gz BTEQYLCNMZQCCX-UHFFFAOYSA-N -1 1 371.802 2.136 20 0 FEADMM Cc1nc(-c2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2)n[nH]1 ZINC000324551950 553772592 /nfs/dbraw/zinc/77/25/92/553772592.db2.gz FUCPOKDEEOISOH-UHFFFAOYSA-N -1 1 364.408 2.341 20 0 FEADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000327449532 553788871 /nfs/dbraw/zinc/78/88/71/553788871.db2.gz IJQPWBXXLWUFML-JKSUJKDBSA-N -1 1 369.483 2.038 20 0 FEADMM COCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cn1 ZINC000505750612 561679151 /nfs/dbraw/zinc/67/91/51/561679151.db2.gz UFAPISOAMBYZLE-UHFFFAOYSA-N -1 1 360.366 2.241 20 0 FEADMM COc1cc(NC(=O)c2ccnc(SC)c2)ccc1[N-]S(C)(=O)=O ZINC000506187436 561692630 /nfs/dbraw/zinc/69/26/30/561692630.db2.gz DOTJFDANEVBCGQ-UHFFFAOYSA-N -1 1 367.452 2.436 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)co1 ZINC000506197550 561692785 /nfs/dbraw/zinc/69/27/85/561692785.db2.gz YCVSTOYGEGYPLY-HNNXBMFYSA-N -1 1 354.403 2.454 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000329211402 553903270 /nfs/dbraw/zinc/90/32/70/553903270.db2.gz ZDUBPZNLRZPXDS-XHDPSFHLSA-N -1 1 365.405 2.944 20 0 FEADMM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1cccc(F)c1F ZINC000507515629 561731434 /nfs/dbraw/zinc/73/14/34/561731434.db2.gz PTRCEPUNTKFOGK-UHFFFAOYSA-N -1 1 364.377 2.083 20 0 FEADMM COc1cc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000330523916 554133229 /nfs/dbraw/zinc/13/32/29/554133229.db2.gz UDKPSWWEANSKLH-QWRGUYRKSA-N -1 1 354.428 2.011 20 0 FEADMM COc1cc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000330613372 554145803 /nfs/dbraw/zinc/14/58/03/554145803.db2.gz REYLODKTMQEWFK-ZSBIGDGJSA-N -1 1 356.444 2.209 20 0 FEADMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccccc1OC(F)F ZINC000508096821 561751555 /nfs/dbraw/zinc/75/15/55/561751555.db2.gz ONIAPBNZBXKWFH-NSHDSACASA-N -1 1 361.288 2.288 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCCCC1 ZINC000330630356 554148246 /nfs/dbraw/zinc/14/82/46/554148246.db2.gz OGUQWZGKKRXFFD-UHFFFAOYSA-N -1 1 351.346 2.258 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(OC2CCC2)c(F)c1 ZINC000508393062 561760892 /nfs/dbraw/zinc/76/08/92/561760892.db2.gz GOFXHMJDPMZNQM-UHFFFAOYSA-N -1 1 359.357 2.226 20 0 FEADMM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000331056510 554207178 /nfs/dbraw/zinc/20/71/78/554207178.db2.gz PXFHGHNNWYLRDL-LBPRGKRZSA-N -1 1 370.471 2.330 20 0 FEADMM CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000331190673 554228371 /nfs/dbraw/zinc/22/83/71/554228371.db2.gz VEFOWMPBAOAJTM-TZMCWYRMSA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3c2OCO3)c(F)cc1F ZINC000509097641 561784814 /nfs/dbraw/zinc/78/48/14/561784814.db2.gz IYQNBORAPAYRCI-UHFFFAOYSA-N -1 1 371.317 2.281 20 0 FEADMM CN1C(=O)CC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000331671605 554305678 /nfs/dbraw/zinc/30/56/78/554305678.db2.gz WRBWBJJDZYOIEK-HNNXBMFYSA-N -1 1 359.426 2.014 20 0 FEADMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000509279361 561793467 /nfs/dbraw/zinc/79/34/67/561793467.db2.gz MPSCYIOAZGHXOJ-ZFWWWQNUSA-N -1 1 373.409 2.302 20 0 FEADMM COc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc(Cl)c1[O-] ZINC000331883987 554338413 /nfs/dbraw/zinc/33/84/13/554338413.db2.gz WQTZPTAPEYEGKU-ZYHUDNBSSA-N -1 1 367.789 2.348 20 0 FEADMM Cc1ccc(SCC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c(C)c1 ZINC000331907401 554344077 /nfs/dbraw/zinc/34/40/77/554344077.db2.gz HRCRILNLSLHCLB-UHFFFAOYSA-N -1 1 363.512 2.178 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000331914417 554345706 /nfs/dbraw/zinc/34/57/06/554345706.db2.gz NJRWUHLQHWCONQ-AAEUAGOBSA-N -1 1 353.802 2.264 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)o1 ZINC000332020502 554365401 /nfs/dbraw/zinc/36/54/01/554365401.db2.gz SHOVVXUJOGEPSA-QWRGUYRKSA-N -1 1 366.414 2.475 20 0 FEADMM COc1cc(F)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509612818 561807230 /nfs/dbraw/zinc/80/72/30/561807230.db2.gz FIRJSBKTIHSISV-UHFFFAOYSA-N -1 1 373.333 2.238 20 0 FEADMM COC(=O)[C@H](CN=c1nc([C@@H](C)OC)[n-]s1)Cc1cccc(F)c1 ZINC000509681180 561810248 /nfs/dbraw/zinc/81/02/48/561810248.db2.gz NMXHDZFSXCMDSY-PWSUYJOCSA-N -1 1 353.419 2.250 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(Cl)cc1Cl ZINC000509947541 561819611 /nfs/dbraw/zinc/81/96/11/561819611.db2.gz DQMHGPULJCKXBN-UHFFFAOYSA-N -1 1 354.193 2.140 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](O)C[C@H]3C)cc2)cc1 ZINC000332443295 554447036 /nfs/dbraw/zinc/44/70/36/554447036.db2.gz BQQPMASSOHLCGM-PBHICJAKSA-N -1 1 374.462 2.391 20 0 FEADMM C[C@H]1CN(C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000332519819 554461000 /nfs/dbraw/zinc/46/10/00/554461000.db2.gz JSCNTEZHWGCPOK-HNNXBMFYSA-N -1 1 373.478 2.264 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c([O-])c1 ZINC000332545390 554468875 /nfs/dbraw/zinc/46/88/75/554468875.db2.gz MOVCFDFOCQUVKN-UHFFFAOYSA-N -1 1 373.840 2.276 20 0 FEADMM Cc1nc(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)[n-]c(=O)c1C ZINC000332584940 554476913 /nfs/dbraw/zinc/47/69/13/554476913.db2.gz BGNMCEGDVSTQAW-SKDRFNHKSA-N -1 1 352.460 2.296 20 0 FEADMM COc1ccc(-c2n[n-]c(=NC(=O)N3CCN(C)[C@H](C)[C@H]3C)s2)cc1 ZINC000332661697 554492844 /nfs/dbraw/zinc/49/28/44/554492844.db2.gz ODMRVCUTQAIFTF-VXGBXAGGSA-N -1 1 361.471 2.770 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000333293467 554599816 /nfs/dbraw/zinc/59/98/16/554599816.db2.gz BEQDZRKODGNFTQ-FKEXNYPISA-N -1 1 354.454 2.489 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1sccc1Cl ZINC000333657766 554631263 /nfs/dbraw/zinc/63/12/63/554631263.db2.gz GGJLXSOHQUDCGO-PWSUYJOCSA-N -1 1 365.904 2.248 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(N2CCCS2(=O)=O)CC1 ZINC000333981638 554664432 /nfs/dbraw/zinc/66/44/32/554664432.db2.gz CJOPWRJBLIXQSO-UHFFFAOYSA-N -1 1 374.462 2.186 20 0 FEADMM CCOc1ccc(CN(C(=O)CNC(=O)c2ncccc2[O-])C(C)C)cc1 ZINC000511049516 561854801 /nfs/dbraw/zinc/85/48/01/561854801.db2.gz CRGJZRUNHVFPBV-UHFFFAOYSA-N -1 1 371.437 2.353 20 0 FEADMM C[C@H]1SCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@@H]1c1ccccc1 ZINC000511073753 561856086 /nfs/dbraw/zinc/85/60/86/561856086.db2.gz REPXAJPWVDBTQH-ACJLOTCBSA-N -1 1 371.462 2.222 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cccnc3OC(C)C)no2)o1 ZINC000349772916 554741907 /nfs/dbraw/zinc/74/19/07/554741907.db2.gz UZZWWIQGWTUQEH-UHFFFAOYSA-N -1 1 364.383 2.087 20 0 FEADMM CC(C)N1CCO[C@@H](c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)C1 ZINC000350132425 554762817 /nfs/dbraw/zinc/76/28/17/554762817.db2.gz GFOHIHXWEORHIU-CQSZACIVSA-N -1 1 367.409 2.472 20 0 FEADMM O=C(Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)N1CCCCC1 ZINC000350232426 554770557 /nfs/dbraw/zinc/77/05/57/554770557.db2.gz PMLMHENMFLBRFY-UHFFFAOYSA-N -1 1 365.393 2.246 20 0 FEADMM CNS(=O)(=O)c1cccc(-c2noc(-c3ccc(OC)cc3[O-])n2)c1 ZINC000350567231 554798564 /nfs/dbraw/zinc/79/85/64/554798564.db2.gz GVXLBQBFUXXJJU-UHFFFAOYSA-N -1 1 361.379 2.026 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CCOC[C@H]2C)no1 ZINC000350600740 554801249 /nfs/dbraw/zinc/80/12/49/554801249.db2.gz RSWFJBGTRKGKBX-BXUZGUMPSA-N -1 1 367.409 2.254 20 0 FEADMM Cc1c([C@H]2[C@H](c3nc(-c4ccc([O-])cc4F)no3)CC(=O)N2C)cnn1C ZINC000350612840 554802574 /nfs/dbraw/zinc/80/25/74/554802574.db2.gz QHTYBJKUPFPHSC-MLGOLLRUSA-N -1 1 371.372 2.310 20 0 FEADMM COCCOCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000350780362 554813121 /nfs/dbraw/zinc/81/31/21/554813121.db2.gz NEULTSUJZMFEHS-UHFFFAOYSA-N -1 1 373.203 2.419 20 0 FEADMM CCNC(=O)Cc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000350790836 554813787 /nfs/dbraw/zinc/81/37/87/554813787.db2.gz HASRVTBJZZRFLE-UHFFFAOYSA-N -1 1 370.203 2.282 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc([C@@H]3CCCOC3)no2)o1 ZINC000350848579 554817740 /nfs/dbraw/zinc/81/77/40/554817740.db2.gz HUFKXAXIHRLTTC-SNVBAGLBSA-N -1 1 355.416 2.300 20 0 FEADMM CSc1cccnc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000350921636 554822673 /nfs/dbraw/zinc/82/26/73/554822673.db2.gz HEWBJOPVEXVRDY-UHFFFAOYSA-N -1 1 368.465 2.394 20 0 FEADMM Cc1cnc([C@H]2CCCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)s1 ZINC000360720849 554887074 /nfs/dbraw/zinc/88/70/74/554887074.db2.gz OYDWXNJWNPOASU-NSHDSACASA-N -1 1 357.439 2.459 20 0 FEADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000361685596 554929314 /nfs/dbraw/zinc/92/93/14/554929314.db2.gz NTMXQBNCMCVXIE-ZDUSSCGKSA-N -1 1 360.454 2.364 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000362309757 554962321 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Cc1nc(CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3[O-])C2)no1 ZINC000363528257 555129317 /nfs/dbraw/zinc/12/93/17/555129317.db2.gz PNMXDTFJTWXXMJ-LBPRGKRZSA-N -1 1 350.806 2.131 20 0 FEADMM COc1ccc(OC)c(CCCNC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512002294 561888438 /nfs/dbraw/zinc/88/84/38/561888438.db2.gz OAXSUCRSPBVZAQ-UHFFFAOYSA-N -1 1 370.409 2.054 20 0 FEADMM CC(=O)N1CCCc2cc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)ccc21 ZINC000512021041 561889204 /nfs/dbraw/zinc/88/92/04/561889204.db2.gz VQAINUWBVDYMEL-UHFFFAOYSA-N -1 1 365.393 2.225 20 0 FEADMM Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2)n1 ZINC000363871054 555203099 /nfs/dbraw/zinc/20/30/99/555203099.db2.gz ZOONEPWGBRYKMS-UHFFFAOYSA-N -1 1 358.379 2.012 20 0 FEADMM CCCC(=O)N1CSC[C@@H]1C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616010586 555263074 /nfs/dbraw/zinc/26/30/74/555263074.db2.gz OVUYBABJSWZYRG-MRVPVSSYSA-N -1 1 361.265 2.121 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@H](C)CC ZINC000512350932 561901934 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COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)c1 ZINC000367723109 556123545 /nfs/dbraw/zinc/12/35/45/556123545.db2.gz RTMMTYHSCNSWKV-HZMBPMFUSA-N -1 1 351.428 2.346 20 0 FEADMM Cn1cc([C@@H]2[C@H](CN=c3nc(C(F)(F)F)[n-]s3)CCCN2C)cn1 ZINC000367729640 556124669 /nfs/dbraw/zinc/12/46/69/556124669.db2.gz QESNVXFKGNSMOP-ONGXEEELSA-N -1 1 360.409 2.207 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(C)n(C2CCOCC2)c1C ZINC000621992013 556198084 /nfs/dbraw/zinc/19/80/84/556198084.db2.gz JXBOKPNJBJUSSD-UHFFFAOYSA-N -1 1 359.430 2.100 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCc3ccc4c(c3)OCCO4)cnc2n1 ZINC000515547379 562015074 /nfs/dbraw/zinc/01/50/74/562015074.db2.gz UGMXJGWZTWEXLT-UHFFFAOYSA-N -1 1 365.389 2.388 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCc1ccc3c(c1)OCCO3)c2=O ZINC000515547379 562015076 /nfs/dbraw/zinc/01/50/76/562015076.db2.gz UGMXJGWZTWEXLT-UHFFFAOYSA-N -1 1 365.389 2.388 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)C1(CO)CCOCC1)c1sccc1Cl ZINC000515775051 562021553 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O=C(c1cc(Cl)ccc1[O-])N1CCn2c(nnc2-c2cccnc2)C1 ZINC000369768253 556689911 /nfs/dbraw/zinc/68/99/11/556689911.db2.gz VXUJUHMWHMMNOV-UHFFFAOYSA-N -1 1 355.785 2.355 20 0 FEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3)CC2)CC1 ZINC000516570678 562048652 /nfs/dbraw/zinc/04/86/52/562048652.db2.gz WIPOCONVGTYXOA-UHFFFAOYSA-N -1 1 373.453 2.046 20 0 FEADMM Cc1cnc(SCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)[n-]c1=O ZINC000516584944 562049526 /nfs/dbraw/zinc/04/95/26/562049526.db2.gz GLJSLXRLCDIIAI-AWEZNQCLSA-N -1 1 363.414 2.322 20 0 FEADMM COc1ccc([C@@H]2[C@@H](C(=O)[N-]OCC(F)(F)F)CCC(=O)N2C)cc1 ZINC000370134876 556790383 /nfs/dbraw/zinc/79/03/83/556790383.db2.gz XRSHTHFZGNCCID-GXTWGEPZSA-N -1 1 360.332 2.215 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(-c3ncon3)c2)ccc1[O-] ZINC000370670768 556935839 /nfs/dbraw/zinc/93/58/39/556935839.db2.gz HCFWCPWOSUFUCY-UHFFFAOYSA-N -1 1 374.378 2.201 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000371014912 557045395 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COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000372228971 557416361 /nfs/dbraw/zinc/41/63/61/557416361.db2.gz RUGLHGNKDCGREB-SDBXPKJASA-N -1 1 355.343 2.006 20 0 FEADMM O=C(Cc1scnc1-c1ccccc1)NC1(c2nn[n-]n2)CCCC1 ZINC000519077246 562124416 /nfs/dbraw/zinc/12/44/16/562124416.db2.gz KJGVAFGZCJPWEQ-UHFFFAOYSA-N -1 1 354.439 2.451 20 0 FEADMM CCCc1nc([C@@H]([N-]S(=O)(=O)Cc2ccon2)c2ccccc2)no1 ZINC000372624308 557524451 /nfs/dbraw/zinc/52/44/51/557524451.db2.gz FNHNUTIBYOWLIB-HNNXBMFYSA-N -1 1 362.411 2.219 20 0 FEADMM O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372731843 557549064 /nfs/dbraw/zinc/54/90/64/557549064.db2.gz YFSPPLUGKAIFHK-JTQLQIEISA-N -1 1 360.468 2.333 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3CC(=O)N(c4cnn(C)c4)C3)[nH][n-]2)s1 ZINC000628030932 557574164 /nfs/dbraw/zinc/57/41/64/557574164.db2.gz GULTZNLJBAHBEM-NSHDSACASA-N -1 1 370.438 2.172 20 0 FEADMM CN(CCc1ccncc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000520125398 562149523 /nfs/dbraw/zinc/14/95/23/562149523.db2.gz FJEHEMXBFCUILY-UHFFFAOYSA-N -1 1 365.455 2.066 20 0 FEADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000373086438 557625393 /nfs/dbraw/zinc/62/53/93/557625393.db2.gz CDFYDTWVLMRRDJ-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)C3CCCC3)CC2)n1 ZINC000373097120 557627895 /nfs/dbraw/zinc/62/78/95/557627895.db2.gz ZYAFSRIATAZULX-LBPRGKRZSA-N -1 1 363.462 2.449 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](C)OCCC(C)C)CC2)n1 ZINC000373117323 557632286 /nfs/dbraw/zinc/63/22/86/557632286.db2.gz FKKAWNGZNBGCHB-ZDUSSCGKSA-N -1 1 366.462 2.139 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccn1)C(C)C ZINC000520190510 562150345 /nfs/dbraw/zinc/15/03/45/562150345.db2.gz VYWHPMFDWAUUNM-UHFFFAOYSA-N -1 1 353.426 2.426 20 0 FEADMM COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)nn1 ZINC000373398479 557686778 /nfs/dbraw/zinc/68/67/78/557686778.db2.gz KLERVXLUBAPWCI-CYBMUJFWSA-N -1 1 366.377 2.011 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)n[nH]2)cc1 ZINC000521214872 562171863 /nfs/dbraw/zinc/17/18/63/562171863.db2.gz YRHVRQQFDPHKSU-CYBMUJFWSA-N -1 1 352.398 2.229 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(c3cccc(C)c3)C2)o1 ZINC000375886966 558093881 /nfs/dbraw/zinc/09/38/81/558093881.db2.gz HWCGIYWZAGMBQP-KRWDZBQOSA-N -1 1 366.414 2.207 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000376326800 558158496 /nfs/dbraw/zinc/15/84/96/558158496.db2.gz DBGJFOYZXUPRQK-RMLUDKJBSA-N -1 1 355.343 2.006 20 0 FEADMM COc1ccc(Cl)cc1N1C[C@@H](C(=O)[N-]OCC(F)(F)F)CC1=O ZINC000376535646 558186738 /nfs/dbraw/zinc/18/67/38/558186738.db2.gz ONJKWCSUIAITBB-QMMMGPOBSA-N -1 1 366.723 2.312 20 0 FEADMM Cn1cnc2c1nccc2C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376616618 558198351 /nfs/dbraw/zinc/19/83/51/558198351.db2.gz ANWDMRWZHBGZFT-UHFFFAOYSA-N -1 1 364.405 2.409 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCCC23OCCO3)CC1 ZINC000376619907 558198601 /nfs/dbraw/zinc/19/86/01/558198601.db2.gz ZXMDCLFYOXJBGJ-KRWDZBQOSA-N -1 1 359.422 2.357 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)ccnc1-2 ZINC000376631169 558200234 /nfs/dbraw/zinc/20/02/34/558200234.db2.gz UMDWWKZYUQHVFR-GFWBCYJCSA-N -1 1 351.410 2.241 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCO1 ZINC000376634095 558200726 /nfs/dbraw/zinc/20/07/26/558200726.db2.gz YJHBLFNFRVRSLS-DBZAVIBRSA-N -1 1 351.410 2.256 20 0 FEADMM CN(CC(=O)[O-])C(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000376790851 558221794 /nfs/dbraw/zinc/22/17/94/558221794.db2.gz JNISIIOYGMQBPT-HNNXBMFYSA-N -1 1 357.410 2.097 20 0 FEADMM CCC[C@H](C)CS(=O)(=O)[N-]C1(C(=O)OCC)Cc2ccccc2C1 ZINC000522197969 562194079 /nfs/dbraw/zinc/19/40/79/562194079.db2.gz YIHDCQPENKMLQE-AWEZNQCLSA-N -1 1 353.484 2.443 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1 ZINC000522207972 562194249 /nfs/dbraw/zinc/19/42/49/562194249.db2.gz VGNOPIRBTLQMCI-UHFFFAOYSA-N -1 1 371.418 2.389 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCN1Cc1ccccc1 ZINC000377491619 558350545 /nfs/dbraw/zinc/35/05/45/558350545.db2.gz ZDSDQAJFKPTIFD-AWEZNQCLSA-N -1 1 366.389 2.044 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2nnc3ccccc3n2)CC1 ZINC000377630399 558381140 /nfs/dbraw/zinc/38/11/40/558381140.db2.gz RHKPKVGYCNFLEE-UHFFFAOYSA-N -1 1 362.389 2.466 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000377853760 558435675 /nfs/dbraw/zinc/43/56/75/558435675.db2.gz CDXDOAKPVHUVGJ-UHFFFAOYSA-N -1 1 352.456 2.064 20 0 FEADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522855163 562204833 /nfs/dbraw/zinc/20/48/33/562204833.db2.gz SKTHMPORFFVWAV-LBPRGKRZSA-N -1 1 368.445 2.423 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccccc2)o1 ZINC000523333086 562211335 /nfs/dbraw/zinc/21/13/35/562211335.db2.gz MQNNYSOALMEYAT-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](N2CCNC2=O)C1 ZINC000378462037 558562720 /nfs/dbraw/zinc/56/27/20/558562720.db2.gz XPFZPWXJZPSYHT-NSHDSACASA-N -1 1 357.332 2.041 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@@H]1c1noc(C3CC3)n1)c2=O ZINC000378582105 558588413 /nfs/dbraw/zinc/58/84/13/558588413.db2.gz MUQQTZMGGMWORN-CYBMUJFWSA-N -1 1 368.397 2.302 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc(I)c([O-])c2)[C@@H](C)O1 ZINC000384882592 558605707 /nfs/dbraw/zinc/60/57/07/558605707.db2.gz KDBMRMRRYWPURW-XLDPMVHQSA-N -1 1 361.179 2.293 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)s1 ZINC000386506730 558607197 /nfs/dbraw/zinc/60/71/97/558607197.db2.gz RDIBOIFJEQYNDY-SSDOTTSWSA-N -1 1 363.848 2.341 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000396938316 558623711 /nfs/dbraw/zinc/62/37/11/558623711.db2.gz RSJKHUMWVBBITQ-MRVPVSSYSA-N -1 1 357.325 2.479 20 0 FEADMM COCCCCN(C)C(=O)c1cc(I)ccc1[O-] ZINC000397132213 558623936 /nfs/dbraw/zinc/62/39/36/558623936.db2.gz SKBGZIQKVMAJJF-UHFFFAOYSA-N -1 1 363.195 2.495 20 0 FEADMM CN(C(=O)c1ccc(I)c([O-])c1)[C@H]1CCCOC1 ZINC000401403723 558629731 /nfs/dbraw/zinc/62/97/31/558629731.db2.gz QGKGKZYTIPPNMF-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000524019259 562222968 /nfs/dbraw/zinc/22/29/68/562222968.db2.gz APPMILADOKLQFN-UHFFFAOYSA-N -1 1 370.434 2.170 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCn3nc(C(C)C)nc32)sc1C ZINC000408406936 558674753 /nfs/dbraw/zinc/67/47/53/558674753.db2.gz VTGFEVUBCQTNRC-NSHDSACASA-N -1 1 355.489 2.288 20 0 FEADMM O=c1nc(N[C@H]2CCOc3c(Br)cccc32)nc2[nH][n-]cc1-2 ZINC000409647227 558709940 /nfs/dbraw/zinc/70/99/40/558709940.db2.gz WGVNSUVJJYYJLO-JTQLQIEISA-N -1 1 362.187 2.130 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000410291537 558750204 /nfs/dbraw/zinc/75/02/04/558750204.db2.gz YWOQUQFSLKZODK-QWRGUYRKSA-N -1 1 366.343 2.839 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cnc(-c2ccccc2F)s1 ZINC000410291789 558750367 /nfs/dbraw/zinc/75/03/67/558750367.db2.gz RLSSDFDQADDPPE-UHFFFAOYSA-N -1 1 359.386 2.593 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1 ZINC000410420652 558756302 /nfs/dbraw/zinc/75/63/02/558756302.db2.gz SPMZYPIDVCAOBV-UHFFFAOYSA-N -1 1 374.418 2.401 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccsc1Br ZINC000410663197 558796060 /nfs/dbraw/zinc/79/60/60/558796060.db2.gz NEOABWQRIKDQEH-UHFFFAOYSA-N -1 1 358.217 2.673 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(OC)c1 ZINC000525952625 562260982 /nfs/dbraw/zinc/26/09/82/562260982.db2.gz ORSAEJWBEMUMEJ-UHFFFAOYSA-N -1 1 355.343 2.127 20 0 FEADMM CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)O ZINC000412375404 559031822 /nfs/dbraw/zinc/03/18/22/559031822.db2.gz GMBJTLJUXGPZFU-BVGQSLNGSA-N -1 1 370.449 2.426 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(c3cccc(Cl)c3)C2)co1 ZINC000412390629 559032732 /nfs/dbraw/zinc/03/27/32/559032732.db2.gz WKWCSTGOAPSSHS-UHFFFAOYSA-N -1 1 354.815 2.081 20 0 FEADMM CO[C@](C)([C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C1CC1 ZINC000412618079 559046845 /nfs/dbraw/zinc/04/68/45/559046845.db2.gz SYORRRKGGTXZSJ-ORAYPTAESA-N -1 1 360.458 2.304 20 0 FEADMM COC(=O)[C@@H]1CSCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000413604305 559119819 /nfs/dbraw/zinc/11/98/19/559119819.db2.gz IPYFGYVQQOPCEQ-AWEZNQCLSA-N -1 1 374.466 2.203 20 0 FEADMM CC1(C)CCC(C)(CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CC1 ZINC000413727892 559127422 /nfs/dbraw/zinc/12/74/22/559127422.db2.gz ROFLPRTXQANMOI-UHFFFAOYSA-N -1 1 366.535 2.558 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C)ccc2NC(C)=O)CC1 ZINC000414385366 559160420 /nfs/dbraw/zinc/16/04/20/559160420.db2.gz VPOVOMAZURCPAP-UHFFFAOYSA-N -1 1 354.428 2.181 20 0 FEADMM O=S(=O)([N-]CC(F)(F)C(F)F)c1cccc2c1OC(F)(F)O2 ZINC000414449940 559164651 /nfs/dbraw/zinc/16/46/51/559164651.db2.gz FBHJDXRNJQUEKK-UHFFFAOYSA-N -1 1 351.224 2.187 20 0 FEADMM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1Br ZINC000414465943 559166298 /nfs/dbraw/zinc/16/62/98/559166298.db2.gz AWGOXFLOARLUTF-UHFFFAOYSA-N -1 1 358.217 2.312 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2cccc(OC(F)(F)F)c2)C1=O ZINC000414646936 559176988 /nfs/dbraw/zinc/17/69/88/559176988.db2.gz BHHIHOUTEYLJPP-KGLIPLIRSA-N -1 1 374.359 2.385 20 0 FEADMM CCOc1ccc(CN[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000414655949 559177619 /nfs/dbraw/zinc/17/76/19/559177619.db2.gz KDQFPRXNMYEYEX-GDBMZVCRSA-N -1 1 352.406 2.024 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccccc2OC(F)F)C1=O ZINC000414656717 559177684 /nfs/dbraw/zinc/17/76/84/559177684.db2.gz LAFHMILXRDQEGP-TZMCWYRMSA-N -1 1 356.369 2.088 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000527209423 562280290 /nfs/dbraw/zinc/28/02/90/562280290.db2.gz VRQXVFPYGORSFI-UHFFFAOYSA-N -1 1 362.407 2.007 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCCOc2ccc3c(c2)OCO3)[n-]1 ZINC000415645799 559257829 /nfs/dbraw/zinc/25/78/29/559257829.db2.gz JAQJYZXHHGHSJF-UHFFFAOYSA-N -1 1 361.354 2.113 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCCOc2ccc3c(c2)OCO3)n1 ZINC000415645799 559257830 /nfs/dbraw/zinc/25/78/30/559257830.db2.gz JAQJYZXHHGHSJF-UHFFFAOYSA-N -1 1 361.354 2.113 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000416185942 559296970 /nfs/dbraw/zinc/29/69/70/559296970.db2.gz YBHXTHCOZFMSAQ-UHFFFAOYSA-N -1 1 367.764 2.151 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000416193248 559297442 /nfs/dbraw/zinc/29/74/42/559297442.db2.gz PVXTYUWDCCRQOV-HXUWFJFHSA-N -1 1 369.421 2.407 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000416190831 559297542 /nfs/dbraw/zinc/29/75/42/559297542.db2.gz MMFDFRGFEPBDHU-IBGZPJMESA-N -1 1 357.410 2.381 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(c2ccc(F)cc2C)CC1 ZINC000416235995 559300163 /nfs/dbraw/zinc/30/01/63/559300163.db2.gz XMORFDZVAHRDCO-UHFFFAOYSA-N -1 1 361.373 2.364 20 0 FEADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cn1 ZINC000416423954 559312110 /nfs/dbraw/zinc/31/21/10/559312110.db2.gz ZBHKRPLLMZYQNV-NSHDSACASA-N -1 1 361.423 2.189 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccsc1 ZINC000416465618 559315166 /nfs/dbraw/zinc/31/51/66/559315166.db2.gz MHJIWBNMTXXKSR-CQSZACIVSA-N -1 1 361.485 2.088 20 0 FEADMM CC(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000416485072 559316687 /nfs/dbraw/zinc/31/66/87/559316687.db2.gz YUXBTXQCQILWIO-UHFFFAOYSA-N -1 1 350.778 2.269 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC(=O)N1 ZINC000416501751 559318211 /nfs/dbraw/zinc/31/82/11/559318211.db2.gz MXHSVQZJFGKZRN-GFCCVEGCSA-N -1 1 370.780 2.306 20 0 FEADMM C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000416561841 559321996 /nfs/dbraw/zinc/32/19/96/559321996.db2.gz VBJVXKURDOMJNU-VIFPVBQESA-N -1 1 354.369 2.253 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)CC(F)(F)F ZINC000416601307 559324447 /nfs/dbraw/zinc/32/44/47/559324447.db2.gz JCOSXFBWRWLUAZ-ZCFIWIBFSA-N -1 1 356.297 2.127 20 0 FEADMM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000416616343 559325478 /nfs/dbraw/zinc/32/54/78/559325478.db2.gz BYEBVKKQIBQIMK-UHFFFAOYSA-N -1 1 366.313 2.158 20 0 FEADMM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(C(N)=O)c2)c1OC ZINC000417586876 559368178 /nfs/dbraw/zinc/36/81/78/559368178.db2.gz ROVQAIOXFBQWLB-HNNXBMFYSA-N -1 1 358.394 2.108 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000417591366 559368413 /nfs/dbraw/zinc/36/84/13/559368413.db2.gz GFLVMZOXNANZBP-SFHVURJKSA-N -1 1 353.426 2.197 20 0 FEADMM O=C([O-])[C@H]1CC(=O)N(CCNCc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000417637496 559369676 /nfs/dbraw/zinc/36/96/76/559369676.db2.gz YXZFKIOWKAEWNS-NSHDSACASA-N -1 1 364.348 2.248 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)N1CCC(OCc2ccccc2)CC1)C(=O)[O-] ZINC000420271950 559478313 /nfs/dbraw/zinc/47/83/13/559478313.db2.gz LCDHBIIOEHFLET-KXBFYZLASA-N -1 1 362.470 2.283 20 0 FEADMM CC[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000421060992 559522293 /nfs/dbraw/zinc/52/22/93/559522293.db2.gz LLTCZNCAXCDZBZ-QWHCGFSZSA-N -1 1 371.459 2.146 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1F ZINC000421146842 559526625 /nfs/dbraw/zinc/52/66/25/559526625.db2.gz CQPDLSNFFJNJRZ-CYBMUJFWSA-N -1 1 373.450 2.158 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)OC)c1)OC ZINC000421169006 559528413 /nfs/dbraw/zinc/52/84/13/559528413.db2.gz ZSLWNSLSNFBNMX-VIFPVBQESA-N -1 1 353.799 2.432 20 0 FEADMM Cc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc(C)n1 ZINC000421574386 559545659 /nfs/dbraw/zinc/54/56/59/559545659.db2.gz FTRXJIUNCMKFRU-UHFFFAOYSA-N -1 1 365.455 2.298 20 0 FEADMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000421910099 559556198 /nfs/dbraw/zinc/55/61/98/559556198.db2.gz AMOMKCPALZJQDS-NEPJUHHUSA-N -1 1 374.441 2.256 20 0 FEADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000422545396 559594214 /nfs/dbraw/zinc/59/42/14/559594214.db2.gz WVVOOBWNJOFHBY-ZXIHIIQKSA-N -1 1 369.259 2.335 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)n[n-]1 ZINC000424202737 559657539 /nfs/dbraw/zinc/65/75/39/559657539.db2.gz ICZBILBJMYJDTI-JTQLQIEISA-N -1 1 370.862 2.438 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCC[C@H](F)C1 ZINC000424767669 559676061 /nfs/dbraw/zinc/67/60/61/559676061.db2.gz RDOAQDDGICZPDP-MNOVXSKESA-N -1 1 356.419 2.300 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C)cc2F)[C@@]12CCCO2 ZINC000425175490 559689575 /nfs/dbraw/zinc/68/95/75/559689575.db2.gz JVXXHBISGIAOHB-FMKPAKJESA-N -1 1 361.410 2.278 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(F)cc2)c(F)c1 ZINC000425183162 559689926 /nfs/dbraw/zinc/68/99/26/559689926.db2.gz FVRSAVKJGYGWLV-LBPRGKRZSA-N -1 1 359.369 2.467 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC(C(=O)N(C)C)CC2)n[n-]1)c1ccccc1 ZINC000425203048 559690918 /nfs/dbraw/zinc/69/09/18/559690918.db2.gz QFBZZLCPCYIWPY-OAHLLOKOSA-N -1 1 353.470 2.954 20 0 FEADMM COC(C)(C)c1nc(C)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)s1 ZINC000425292937 559695008 /nfs/dbraw/zinc/69/50/08/559695008.db2.gz BAKIJOFKVXLCHK-SNVBAGLBSA-N -1 1 366.443 2.441 20 0 FEADMM COc1ccc(-c2ocnc2C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425311824 559696052 /nfs/dbraw/zinc/69/60/52/559696052.db2.gz YPUJMCIPDXNRJK-LBPRGKRZSA-N -1 1 370.365 2.459 20 0 FEADMM N=c1nc(N2CCN(C(=O)Nc3ccccc3C(F)F)CC2)s[n-]1 ZINC000425689796 559714927 /nfs/dbraw/zinc/71/49/27/559714927.db2.gz DTRLCCDNFNVEMD-UHFFFAOYSA-N -1 1 354.386 2.412 20 0 FEADMM O=C([O-])[C@H](Cc1ccco1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426807370 559742292 /nfs/dbraw/zinc/74/22/92/559742292.db2.gz NKLASKKBDGESMA-AWEZNQCLSA-N -1 1 364.764 2.438 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cncc(F)c1)c1nc(Cc2ccccc2)no1 ZINC000427268415 559751718 /nfs/dbraw/zinc/75/17/18/559751718.db2.gz XHVLGLNASQQNCA-NSHDSACASA-N -1 1 362.386 2.234 20 0 FEADMM Cc1c(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)cnn1C ZINC000427786216 559762642 /nfs/dbraw/zinc/76/26/42/559762642.db2.gz FYXCMYPBGHROLN-CQSZACIVSA-N -1 1 359.373 2.411 20 0 FEADMM CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1c(C)noc1C ZINC000427915715 559765215 /nfs/dbraw/zinc/76/52/15/559765215.db2.gz QFGOJFQKEOLOOJ-GFCCVEGCSA-N -1 1 367.427 2.037 20 0 FEADMM Cc1cc(CNC(=O)c2cc(=O)n3[n-]cnc3n2)ccc1-c1ccccc1 ZINC000428584201 559778974 /nfs/dbraw/zinc/77/89/74/559778974.db2.gz UXSLFPBGPZMUIP-UHFFFAOYSA-N -1 1 359.389 2.323 20 0 FEADMM CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)CC1 ZINC000429730685 559804651 /nfs/dbraw/zinc/80/46/51/559804651.db2.gz MXSFDRWBQJZMQZ-OAHLLOKOSA-N -1 1 370.497 2.281 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432182726 559853584 /nfs/dbraw/zinc/85/35/84/559853584.db2.gz QMDWHNPLDCCFEL-UHFFFAOYSA-N -1 1 358.375 2.116 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2nc3c(s2)CCCC3)n1 ZINC000432665513 559862822 /nfs/dbraw/zinc/86/28/22/559862822.db2.gz DEUSEBFSNHDMPV-UHFFFAOYSA-N -1 1 352.441 2.262 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCC3CC3)c2)n1 ZINC000434414763 559899976 /nfs/dbraw/zinc/89/99/76/559899976.db2.gz GHVKBEOWEUVSPN-UHFFFAOYSA-N -1 1 357.414 2.248 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1c(Cl)cc(F)cc1Cl ZINC000435438679 559923201 /nfs/dbraw/zinc/92/32/01/559923201.db2.gz PJTKEWIZPJSWAG-SNVBAGLBSA-N -1 1 372.245 2.198 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000435467755 559923845 /nfs/dbraw/zinc/92/38/45/559923845.db2.gz KJVUBDKETKKAQA-UHFFFAOYSA-N -1 1 372.462 2.233 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(OC)c1 ZINC000436184150 559937044 /nfs/dbraw/zinc/93/70/44/559937044.db2.gz SYSCYNPZEFUISN-UHFFFAOYSA-N -1 1 369.370 2.271 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)n1 ZINC000436206091 559937610 /nfs/dbraw/zinc/93/76/10/559937610.db2.gz FSAIHKHUFLDEFL-JTQLQIEISA-N -1 1 360.439 2.224 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(O)(C(F)F)CC1 ZINC000436835306 559953535 /nfs/dbraw/zinc/95/35/35/559953535.db2.gz VIJWRXARSNHMRH-UHFFFAOYSA-N -1 1 350.159 2.387 20 0 FEADMM COc1ccc(C[C@@H](CO)CNC(=O)c2ccc(Cl)cc2[O-])cc1O ZINC000436582639 559946034 /nfs/dbraw/zinc/94/60/34/559946034.db2.gz DZRBXANBRQAUKC-GFCCVEGCSA-N -1 1 365.813 2.341 20 0 FEADMM COc1cc(NC(=O)CN(C)C(=O)c2ccc([O-])cc2F)cc(OC)c1 ZINC000436614038 559946560 /nfs/dbraw/zinc/94/65/60/559946560.db2.gz UNVGGGSPJHVCPC-UHFFFAOYSA-N -1 1 362.357 2.259 20 0 FEADMM COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc(Br)cc1[O-] ZINC000436611864 559946681 /nfs/dbraw/zinc/94/66/81/559946681.db2.gz YXKWITBKKZRMQW-MRVPVSSYSA-N -1 1 352.131 2.081 20 0 FEADMM CN(C)C(=O)COc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000436624579 559946880 /nfs/dbraw/zinc/94/68/80/559946880.db2.gz KAKVASIRIDFUIR-UHFFFAOYSA-N -1 1 364.785 2.471 20 0 FEADMM O=C(COc1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436629797 559946934 /nfs/dbraw/zinc/94/69/34/559946934.db2.gz LJPFWNWDMPMNHQ-CQSZACIVSA-N -1 1 374.824 2.455 20 0 FEADMM O=C(NCc1cc(Cl)ccc1N1CCOCC1)C(=O)c1ccc([O-])cc1 ZINC000436632669 559946950 /nfs/dbraw/zinc/94/69/50/559946950.db2.gz FDGKSOZKJJETNN-UHFFFAOYSA-N -1 1 374.824 2.381 20 0 FEADMM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436688699 559948921 /nfs/dbraw/zinc/94/89/21/559948921.db2.gz VCWNVRDFMOYZQH-HNNXBMFYSA-N -1 1 362.451 2.089 20 0 FEADMM CC(C)c1cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])no1 ZINC000436699716 559949279 /nfs/dbraw/zinc/94/92/79/559949279.db2.gz RSDOBQDRCGBXRF-UHFFFAOYSA-N -1 1 365.411 2.197 20 0 FEADMM CC(C)CN1C[C@H]2CN(C(=O)c3cc(Cl)ccc3[O-])CCN2C1=O ZINC000436709157 559949591 /nfs/dbraw/zinc/94/95/91/559949591.db2.gz MDJCTVOTQUAJAR-CYBMUJFWSA-N -1 1 351.834 2.264 20 0 FEADMM CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(Br)cc1[O-] ZINC000436707424 559949637 /nfs/dbraw/zinc/94/96/37/559949637.db2.gz RNBBKRSOXJHYPJ-JTQLQIEISA-N -1 1 357.248 2.437 20 0 FEADMM COCCN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CCO[C@H]1C ZINC000436728201 559950183 /nfs/dbraw/zinc/95/01/83/559950183.db2.gz IUURXRWMSRCCIQ-GXFFZTMASA-N -1 1 358.232 2.421 20 0 FEADMM COCCN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CCO[C@@H]1C ZINC000436728202 559950190 /nfs/dbraw/zinc/95/01/90/559950190.db2.gz IUURXRWMSRCCIQ-MFKMUULPSA-N -1 1 358.232 2.421 20 0 FEADMM NC(=O)c1cccc(CCNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436726822 559950249 /nfs/dbraw/zinc/95/02/49/559950249.db2.gz WGIXIXUUYAXDAP-UHFFFAOYSA-N -1 1 363.211 2.226 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)c([O-])c1 ZINC000436756190 559950933 /nfs/dbraw/zinc/95/09/33/559950933.db2.gz QHSNHBWFTZCBAQ-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM O=C(N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)C(=O)c1ccc([O-])cc1 ZINC000436774596 559951711 /nfs/dbraw/zinc/95/17/11/559951711.db2.gz UHOYDDFYSQYNSF-GFCCVEGCSA-N -1 1 372.343 2.025 20 0 FEADMM CCn1nnnc1-c1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000436792120 559952334 /nfs/dbraw/zinc/95/23/34/559952334.db2.gz UXEIBPGFSJFURO-UHFFFAOYSA-N -1 1 366.381 2.276 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)ccc1O ZINC000436811708 559952953 /nfs/dbraw/zinc/95/29/53/559952953.db2.gz JTLKOABJSCINEB-UHFFFAOYSA-N -1 1 366.395 2.162 20 0 FEADMM CCOCc1nc([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)no1 ZINC000436816294 559953114 /nfs/dbraw/zinc/95/31/14/559953114.db2.gz NVAPHBQJSNFGAB-QMMMGPOBSA-N -1 1 355.778 2.465 20 0 FEADMM O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436836867 559953756 /nfs/dbraw/zinc/95/37/56/559953756.db2.gz FWLZVBSQWGUEKP-JTQLQIEISA-N -1 1 362.323 2.452 20 0 FEADMM O=C(C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc([O-])cc1 ZINC000436884361 559955395 /nfs/dbraw/zinc/95/53/95/559955395.db2.gz FXTMBAVHYNQOMA-UHFFFAOYSA-N -1 1 372.808 2.213 20 0 FEADMM O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1c([O-])cccc1F ZINC000436898178 559955798 /nfs/dbraw/zinc/95/57/98/559955798.db2.gz FLIGYGDSWLUQRG-MRXNPFEDSA-N -1 1 354.341 2.364 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000436908698 559955944 /nfs/dbraw/zinc/95/59/44/559955944.db2.gz JAEAFTFLFKACMY-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(OC)cc3[O-])c2)C1=O ZINC000436916062 559956257 /nfs/dbraw/zinc/95/62/57/559956257.db2.gz UOGCGLIYUYMZMN-OAHLLOKOSA-N -1 1 369.377 2.488 20 0 FEADMM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)C1=O ZINC000436917379 559956448 /nfs/dbraw/zinc/95/64/48/559956448.db2.gz YZGSNNLQFUIPDC-AWEZNQCLSA-N -1 1 355.350 2.185 20 0 FEADMM COc1cccc2c1nc(NC(=O)c1cc(NC(C)=O)ccc1[O-])n2C ZINC000436935167 559956972 /nfs/dbraw/zinc/95/69/72/559956972.db2.gz VQOBFMVGICYBKG-UHFFFAOYSA-N -1 1 354.366 2.498 20 0 FEADMM COc1cc(F)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436946338 559957115 /nfs/dbraw/zinc/95/71/15/559957115.db2.gz PEWJOTAQLMKTQO-UHFFFAOYSA-N -1 1 373.333 2.486 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2cnc(OC)c(C(N)=O)c2)c([O-])c1 ZINC000436975431 559958033 /nfs/dbraw/zinc/95/80/33/559958033.db2.gz AARKREVWGQIWJW-UHFFFAOYSA-N -1 1 359.382 2.326 20 0 FEADMM CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436984366 559958629 /nfs/dbraw/zinc/95/86/29/559958629.db2.gz ARRAWLRRDMDBQQ-MSOLQXFVSA-N -1 1 370.449 2.283 20 0 FEADMM CN(Cc1ccnn1C)C(=O)c1cc(I)ccc1[O-] ZINC000437000949 559959221 /nfs/dbraw/zinc/95/92/21/559959221.db2.gz NEDUTMFFEURWBO-UHFFFAOYSA-N -1 1 371.178 2.003 20 0 FEADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000437007505 559959407 /nfs/dbraw/zinc/95/94/07/559959407.db2.gz ZAAWAEGCFFCYTF-UHFFFAOYSA-N -1 1 374.422 2.080 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)OC ZINC000438715285 559982620 /nfs/dbraw/zinc/98/26/20/559982620.db2.gz JSRLPCRNCCJMMU-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(CO)ccc2C)c1 ZINC000438755152 559983058 /nfs/dbraw/zinc/98/30/58/559983058.db2.gz RGJODSSSQDDQGV-UHFFFAOYSA-N -1 1 351.380 2.000 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[N@H+]2CC(C)C)o1 ZINC000438958511 559986200 /nfs/dbraw/zinc/98/62/00/559986200.db2.gz UWKMLDLSCQBZRD-AWEZNQCLSA-N -1 1 372.487 2.245 20 0 FEADMM COc1cc(NC(=O)CC[C@H]2CC[C@H](C)O2)ccc1[N-]S(C)(=O)=O ZINC000438969607 559986500 /nfs/dbraw/zinc/98/65/00/559986500.db2.gz SJUHGMFXLPYTRF-WCQYABFASA-N -1 1 356.444 2.353 20 0 FEADMM Cc1cc(C(=O)N=c2nc(-c3ccc(Br)cc3F)[nH][n-]2)no1 ZINC000439251533 559990855 /nfs/dbraw/zinc/99/08/55/559990855.db2.gz OFNODUMWPOODJW-UHFFFAOYSA-N -1 1 366.150 2.922 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cn1C ZINC000439575859 559997090 /nfs/dbraw/zinc/99/70/90/559997090.db2.gz YINOGIWFKPSUIV-NSHDSACASA-N -1 1 364.423 2.326 20 0 FEADMM Cc1cc(C(=O)Nc2ccccc2-c2cn[nH]c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000439771730 559999906 /nfs/dbraw/zinc/99/99/06/559999906.db2.gz RUNHHTMWUBNVOS-UHFFFAOYSA-N -1 1 362.349 2.387 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(CCO)C1CCC1 ZINC000440152355 560005841 /nfs/dbraw/zinc/00/58/41/560005841.db2.gz SYLCYPQIVVUNES-UHFFFAOYSA-N -1 1 374.462 2.474 20 0 FEADMM N=c1nc(N2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)s[n-]1 ZINC000440569626 560014444 /nfs/dbraw/zinc/01/44/44/560014444.db2.gz OHBRGQNCHFLHFY-UHFFFAOYSA-N -1 1 373.404 2.384 20 0 FEADMM N=c1nc(N2CCN(Cc3ccccc3Oc3cccnc3)CC2)s[n-]1 ZINC000440568183 560014446 /nfs/dbraw/zinc/01/44/46/560014446.db2.gz XFJVPLMKZHSBRQ-UHFFFAOYSA-N -1 1 368.466 2.630 20 0 FEADMM N=c1nc(N2CCN(c3ncnc4sc5ccccc5c43)CC2)s[n-]1 ZINC000440668512 560015924 /nfs/dbraw/zinc/01/59/24/560015924.db2.gz KRLLZFRCNINXNL-UHFFFAOYSA-N -1 1 369.479 2.605 20 0 FEADMM CO[C@H]1CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)[C@@H](C)C1 ZINC000442901806 560061770 /nfs/dbraw/zinc/06/17/70/560061770.db2.gz UYFJVRQLURZRJQ-WFASDCNBSA-N -1 1 356.426 2.121 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)o1 ZINC000443102790 560070714 /nfs/dbraw/zinc/07/07/14/560070714.db2.gz NFNRXNRLSYMTQC-UHFFFAOYSA-N -1 1 362.407 2.459 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 ZINC000443458596 560084427 /nfs/dbraw/zinc/08/44/27/560084427.db2.gz WYLAIBLBAZJABI-UHFFFAOYSA-N -1 1 370.818 2.003 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000443505539 560085627 /nfs/dbraw/zinc/08/56/27/560085627.db2.gz ZVZMYVYNNLYREW-SNVBAGLBSA-N -1 1 351.346 2.469 20 0 FEADMM O=S(=O)([N-]Cc1cccnn1)c1cc(Br)sc1Cl ZINC000443929856 560096396 /nfs/dbraw/zinc/09/63/96/560096396.db2.gz TZXRBZQZHKAFIQ-UHFFFAOYSA-N -1 1 368.665 2.433 20 0 FEADMM COc1cc(NC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)ccc1F ZINC000444469074 560114348 /nfs/dbraw/zinc/11/43/48/560114348.db2.gz SGJMBPXPDCNVCA-UHFFFAOYSA-N -1 1 369.356 2.277 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(CC)nc3C)CC2)n1 ZINC000444672805 560118104 /nfs/dbraw/zinc/11/81/04/560118104.db2.gz HTTHVIGHXYZHLT-UHFFFAOYSA-N -1 1 371.441 2.267 20 0 FEADMM Cn1cnc(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000447155572 560157281 /nfs/dbraw/zinc/15/72/81/560157281.db2.gz GKLPRQMIYDOGNL-UHFFFAOYSA-N -1 1 368.768 2.008 20 0 FEADMM Cn1cnc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000447176495 560157610 /nfs/dbraw/zinc/15/76/10/560157610.db2.gz KYXBSUZWUQGMEQ-UHFFFAOYSA-N -1 1 369.661 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@]3(C)CCCOC3)c2)n1 ZINC000447686925 560167298 /nfs/dbraw/zinc/16/72/98/560167298.db2.gz SKPJLXMEKBMPTI-LJQANCHMSA-N -1 1 372.425 2.081 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccc(Cl)c(F)c1 ZINC000447758019 560168626 /nfs/dbraw/zinc/16/86/26/560168626.db2.gz KKQOMVWXKBWDQC-AWEZNQCLSA-N -1 1 372.805 2.375 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)c([O-])c1 ZINC000447840485 560170858 /nfs/dbraw/zinc/17/08/58/560170858.db2.gz SMZDAVKNGIYMFL-UHFFFAOYSA-N -1 1 369.377 2.488 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000449891518 560244462 /nfs/dbraw/zinc/24/44/62/560244462.db2.gz KVBPTYXEGUABJR-HNNXBMFYSA-N -1 1 365.437 2.194 20 0 FEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1 ZINC000451034045 560283798 /nfs/dbraw/zinc/28/37/98/560283798.db2.gz VWCLYTUCVXXWGJ-UHFFFAOYSA-N -1 1 369.361 2.491 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(F)F ZINC000451089629 560286444 /nfs/dbraw/zinc/28/64/44/560286444.db2.gz YBUCMZFXBSEHJG-VIFPVBQESA-N -1 1 371.789 2.457 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000451117348 560287999 /nfs/dbraw/zinc/28/79/99/560287999.db2.gz TZHZRYWMWNRYBL-UHFFFAOYSA-N -1 1 356.835 2.395 20 0 FEADMM CC(C)c1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000451116243 560288108 /nfs/dbraw/zinc/28/81/08/560288108.db2.gz PVUNTYSHIOQAPW-UHFFFAOYSA-N -1 1 370.862 2.270 20 0 FEADMM COC(=O)CC1(C[N-]S(=O)(=O)c2sccc2Cl)CCOCC1 ZINC000451516113 560311534 /nfs/dbraw/zinc/31/15/34/560311534.db2.gz ILGYTFBVIBWVCQ-UHFFFAOYSA-N -1 1 367.876 2.040 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000451744902 560326185 /nfs/dbraw/zinc/32/61/85/560326185.db2.gz GEKPQMICJYKXGQ-SECBINFHSA-N -1 1 368.238 2.237 20 0 FEADMM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000452024049 560346157 /nfs/dbraw/zinc/34/61/57/560346157.db2.gz WAFZKEDQFURPHN-QMMMGPOBSA-N -1 1 368.224 2.207 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCC[C@@H]1F ZINC000452166663 560354277 /nfs/dbraw/zinc/35/42/77/560354277.db2.gz JHTVXMVODGDLPZ-WDEREUQCSA-N -1 1 369.245 2.279 20 0 FEADMM COc1cc(NC(=O)N2CC[C@H](SC)C2)ccc1[N-]S(C)(=O)=O ZINC000454767366 560457400 /nfs/dbraw/zinc/45/74/00/560457400.db2.gz HUZKXXIPLIFQMW-NSHDSACASA-N -1 1 359.473 2.036 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2cnc(C3CC3)o2)o1 ZINC000456777640 560532611 /nfs/dbraw/zinc/53/26/11/560532611.db2.gz GFWIFXGYDRAPOW-UHFFFAOYSA-N -1 1 367.427 2.152 20 0 FEADMM Cc1cc(C)c(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000456840669 560534361 /nfs/dbraw/zinc/53/43/61/560534361.db2.gz DXQUAKOSDIFPKQ-UHFFFAOYSA-N -1 1 365.455 2.298 20 0 FEADMM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000456936839 560539087 /nfs/dbraw/zinc/53/90/87/560539087.db2.gz TUZFZSPWZIZIKE-LLVKDONJSA-N -1 1 370.247 2.031 20 0 FEADMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3[O-])[C@H](C)C2)[nH]n1 ZINC000457300190 560561281 /nfs/dbraw/zinc/56/12/81/560561281.db2.gz WWBHQRHEZUDJEU-LLVKDONJSA-N -1 1 362.817 2.064 20 0 FEADMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3[O-])[C@H](C)C2)n[nH]1 ZINC000457300190 560561283 /nfs/dbraw/zinc/56/12/83/560561283.db2.gz WWBHQRHEZUDJEU-LLVKDONJSA-N -1 1 362.817 2.064 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1[nH]ccc1C1CC1 ZINC000457680405 560581392 /nfs/dbraw/zinc/58/13/92/560581392.db2.gz ASLKAHZJBCUGRX-UHFFFAOYSA-N -1 1 361.423 2.291 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)o1 ZINC000458277846 560612636 /nfs/dbraw/zinc/61/26/36/560612636.db2.gz NOBRUVCZZDNBIG-NSHDSACASA-N -1 1 354.403 2.030 20 0 FEADMM O=c1cc(CN2CCCN(c3cccnn3)CC2)nc(-c2ccccc2)[nH]1 ZINC000459337480 560680593 /nfs/dbraw/zinc/68/05/93/560680593.db2.gz QLXVJJOORXSNBO-UHFFFAOYSA-N -1 1 362.437 2.352 20 0 FEADMM Cc1cnc(C(=O)N(Cc2ccccc2)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000460183400 560737204 /nfs/dbraw/zinc/73/72/04/560737204.db2.gz BTOAFYKEINGRGW-KRWDZBQOSA-N -1 1 369.465 2.459 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc12 ZINC000461346855 560767537 /nfs/dbraw/zinc/76/75/37/560767537.db2.gz MZDHFWMGDDUYKS-UHFFFAOYSA-N -1 1 359.407 2.454 20 0 FEADMM CC(C)(NC(=O)CCSc1ccc(Br)cc1)c1nn[n-]n1 ZINC000461632139 560777996 /nfs/dbraw/zinc/77/79/96/560777996.db2.gz DNQDGESLEPKGER-UHFFFAOYSA-N -1 1 370.276 2.496 20 0 FEADMM CCOc1ccc(-c2nc(C(=O)NC(C)(C)c3nn[n-]n3)cs2)cc1 ZINC000461635620 560778244 /nfs/dbraw/zinc/77/82/44/560778244.db2.gz PILUCQNYESNBDD-UHFFFAOYSA-N -1 1 358.427 2.387 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1ccc(Cl)c(C)c1 ZINC000462125021 560798369 /nfs/dbraw/zinc/79/83/69/560798369.db2.gz XUAOBRQAHRZNQN-UHFFFAOYSA-N -1 1 371.846 2.069 20 0 FEADMM CCN(CC(C)(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462285173 560804358 /nfs/dbraw/zinc/80/43/58/560804358.db2.gz GBMWYONOMCTANV-UHFFFAOYSA-N -1 1 366.480 2.254 20 0 FEADMM Cc1nc(-c2ccc(NCc3ccc(OCCO)cc3)nc2)[n-]c(=O)c1C ZINC000462385726 560808243 /nfs/dbraw/zinc/80/82/43/560808243.db2.gz XXRZRJZBAPYLDW-UHFFFAOYSA-N -1 1 366.421 2.844 20 0 FEADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2nnc(CCC(=O)OC)s2)s1 ZINC000463670688 560820733 /nfs/dbraw/zinc/82/07/33/560820733.db2.gz SFUOGEPSUVVVBI-QMMMGPOBSA-N -1 1 370.456 2.450 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)ncn4C)cc2oc1=O ZINC000467036653 560902080 /nfs/dbraw/zinc/90/20/80/560902080.db2.gz VJAFDXDXFAQVHS-UHFFFAOYSA-N -1 1 372.406 2.302 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C(N)=O)cc2F)c(=O)[n-]1 ZINC000467502137 560911459 /nfs/dbraw/zinc/91/14/59/560911459.db2.gz KCKUTRBASJDAFH-UHFFFAOYSA-N -1 1 364.402 2.022 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1nn[n-]n1 ZINC000467643086 560914216 /nfs/dbraw/zinc/91/42/16/560914216.db2.gz FJIPCUPGAJBEIL-INIZCTEOSA-N -1 1 352.398 2.445 20 0 FEADMM CCC[C@@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1nn[n-]n1 ZINC000467645403 560914397 /nfs/dbraw/zinc/91/43/97/560914397.db2.gz HMQIDJUDVXMLJX-SNVBAGLBSA-N -1 1 367.335 2.226 20 0 FEADMM COc1cc(F)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1F ZINC000468384728 560928558 /nfs/dbraw/zinc/92/85/58/560928558.db2.gz RYNPPSFCMDGSGO-UHFFFAOYSA-N -1 1 362.292 2.284 20 0 FEADMM COc1cc(F)c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1F ZINC000468384728 560928559 /nfs/dbraw/zinc/92/85/59/560928559.db2.gz RYNPPSFCMDGSGO-UHFFFAOYSA-N -1 1 362.292 2.284 20 0 FEADMM Cc1ccc(Br)cc1-c1n[n-]c(=NCCc2nc[nH]n2)s1 ZINC000468709534 560936690 /nfs/dbraw/zinc/93/66/90/560936690.db2.gz MDTJPVWUPCVKFK-UHFFFAOYSA-N -1 1 365.260 3.049 20 0 FEADMM Cc1ccc([C@@]2(C)CCN(C(=O)CNC(=O)c3ncccc3[O-])C2)cc1 ZINC000468924144 560942404 /nfs/dbraw/zinc/94/24/04/560942404.db2.gz HLLBJLVRWDRZEY-FQEVSTJZSA-N -1 1 353.422 2.016 20 0 FEADMM C[C@H](c1ccc(OC(F)F)cc1)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000469287522 560951844 /nfs/dbraw/zinc/95/18/44/560951844.db2.gz XUNYNPKQRYZJCZ-SNVBAGLBSA-N -1 1 355.414 2.605 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000471120318 560998731 /nfs/dbraw/zinc/99/87/31/560998731.db2.gz HVRVVYQQCWYPIP-UHFFFAOYSA-N -1 1 369.420 2.010 20 0 FEADMM Cn1ccc2cccc(NS(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c21 ZINC000471573139 561007580 /nfs/dbraw/zinc/00/75/80/561007580.db2.gz HVYYBYZNFVKVSC-UHFFFAOYSA-N -1 1 360.391 2.443 20 0 FEADMM COc1ccc(C)nc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000471710076 561010760 /nfs/dbraw/zinc/01/07/60/561010760.db2.gz XSLUFNPBVHKUTO-UHFFFAOYSA-N -1 1 365.393 2.034 20 0 FEADMM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000471747747 561011351 /nfs/dbraw/zinc/01/13/51/561011351.db2.gz MTSDEBDLBIKXAL-UHFFFAOYSA-N -1 1 354.388 2.270 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cccc(C)c1C ZINC000472735164 561034076 /nfs/dbraw/zinc/03/40/76/561034076.db2.gz DWABPFCCJHBLMP-HOCLYGCPSA-N -1 1 355.456 2.006 20 0 FEADMM C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473002792 561040001 /nfs/dbraw/zinc/04/00/01/561040001.db2.gz TZYPKJBZXTYMKV-CZUORRHYSA-N -1 1 360.435 2.083 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000473318115 561047482 /nfs/dbraw/zinc/04/74/82/561047482.db2.gz GAHRYSDYXXMYFJ-UHFFFAOYSA-N -1 1 367.789 2.091 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473655893 561055190 /nfs/dbraw/zinc/05/51/90/561055190.db2.gz FQKIJRQLJVJGEU-HIFRSBDPSA-N -1 1 357.385 2.109 20 0 FEADMM CC(C)N1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000473916012 561060589 /nfs/dbraw/zinc/06/05/89/561060589.db2.gz YTCITQKYJJGAON-MRVPVSSYSA-N -1 1 369.245 2.420 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccc(OC)cc1 ZINC000474093269 561065440 /nfs/dbraw/zinc/06/54/40/561065440.db2.gz CHWJJULALMJXGF-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccc(C)o1 ZINC000474174347 561067435 /nfs/dbraw/zinc/06/74/35/561067435.db2.gz KMNLARZNYUBYJB-ZDUSSCGKSA-N -1 1 355.412 2.271 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)o1 ZINC000474301790 561070667 /nfs/dbraw/zinc/07/06/67/561070667.db2.gz DZOAKSATFLPWTC-JTQLQIEISA-N -1 1 357.771 2.132 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000474418919 561073691 /nfs/dbraw/zinc/07/36/91/561073691.db2.gz UHHQAZXTDORQLR-UHFFFAOYSA-N -1 1 365.411 2.030 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(NC(N)=O)c1 ZINC000474550013 561076458 /nfs/dbraw/zinc/07/64/58/561076458.db2.gz FMLSJFWDUZJCTJ-UHFFFAOYSA-N -1 1 357.414 2.209 20 0 FEADMM CC(C)Oc1cc(Br)cc(C(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000475004779 561087635 /nfs/dbraw/zinc/08/76/35/561087635.db2.gz XTRAEUCQOOCBQC-UHFFFAOYSA-N -1 1 368.235 2.415 20 0 FEADMM COc1ccc(NC(=O)N(C[C@@H](C)OC)C(C)C)cc1[N-]S(C)(=O)=O ZINC000475388818 561096000 /nfs/dbraw/zinc/09/60/00/561096000.db2.gz LDHZHLGUUPTWDC-GFCCVEGCSA-N -1 1 373.475 2.344 20 0 FEADMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2)cn1 ZINC000475747622 561104335 /nfs/dbraw/zinc/10/43/35/561104335.db2.gz MVGMAIBRWDTTEQ-UHFFFAOYSA-N -1 1 371.422 2.063 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000477201347 561139198 /nfs/dbraw/zinc/13/91/98/561139198.db2.gz BTGQEELLIGZIPM-SNVBAGLBSA-N -1 1 372.406 2.483 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@H]2CC[C@@H](C)O2)no1 ZINC000528253249 562319694 /nfs/dbraw/zinc/31/96/94/562319694.db2.gz QLBGDBPWMKBXFM-QMTHXVAHSA-N -1 1 353.382 2.354 20 0 FEADMM CCn1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)n1 ZINC000528446592 562329644 /nfs/dbraw/zinc/32/96/44/562329644.db2.gz USQNRJNEOHFDAA-UHFFFAOYSA-N -1 1 365.242 2.092 20 0 FEADMM O=C1Nc2ccccc2C[C@@H]1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000528542240 562335110 /nfs/dbraw/zinc/33/51/10/562335110.db2.gz MLVQYIYQTWVGHO-OCCSQVGLSA-N -1 1 358.410 2.295 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(C)CCC(F)(F)CC2)c1 ZINC000529408620 562372801 /nfs/dbraw/zinc/37/28/01/562372801.db2.gz PQVJFIWWIQNXGD-UHFFFAOYSA-N -1 1 362.398 2.454 20 0 FEADMM O=C(c1ncccc1[O-])N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529890491 562389810 /nfs/dbraw/zinc/38/98/10/562389810.db2.gz PGEJRGGEONPKLR-UHFFFAOYSA-N -1 1 372.425 2.159 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(O)ccc3C)cc2CC1 ZINC000530144758 562399882 /nfs/dbraw/zinc/39/98/82/562399882.db2.gz LLDGJMPJOPXTET-UHFFFAOYSA-N -1 1 374.462 2.449 20 0 FEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530155465 562400515 /nfs/dbraw/zinc/40/05/15/562400515.db2.gz ZCVRLMRIFGNNIF-UHFFFAOYSA-N -1 1 371.462 2.389 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CCC4)cc2N1 ZINC000530686174 562420596 /nfs/dbraw/zinc/42/05/96/562420596.db2.gz DFCGFZAQHWUTBV-UHFFFAOYSA-N -1 1 372.402 2.337 20 0 FEADMM CC(C)(NC(=O)CCc1nc2cc(Cl)ccc2s1)c1nn[n-]n1 ZINC000531336499 562442449 /nfs/dbraw/zinc/44/24/49/562442449.db2.gz HUXLMPFIDYEFKY-UHFFFAOYSA-N -1 1 350.835 2.447 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(OC)c1 ZINC000531384268 562444152 /nfs/dbraw/zinc/44/41/52/562444152.db2.gz OFNJMOVLYOSKFA-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COC(=O)CCC1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000531475743 562447147 /nfs/dbraw/zinc/44/71/47/562447147.db2.gz JLQFPFPHZQSYGH-UHFFFAOYSA-N -1 1 357.410 2.449 20 0 FEADMM COC(=O)CCC1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000531475743 562447148 /nfs/dbraw/zinc/44/71/48/562447148.db2.gz JLQFPFPHZQSYGH-UHFFFAOYSA-N -1 1 357.410 2.449 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1C(=O)N(C)C ZINC000531514793 562448338 /nfs/dbraw/zinc/44/83/38/562448338.db2.gz BDXILFNGHKZJLF-UHFFFAOYSA-N -1 1 363.439 2.210 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1S(=O)(=O)N(C)C ZINC000531755800 562455641 /nfs/dbraw/zinc/45/56/41/562455641.db2.gz XZSNMZACKPUYIZ-UHFFFAOYSA-N -1 1 368.386 2.043 20 0 FEADMM Cc1noc(C2CCC([N-]S(=O)(=O)c3nc(C)c(C)s3)CC2)n1 ZINC000532496553 562479502 /nfs/dbraw/zinc/47/95/02/562479502.db2.gz ZRDFNFRZPYPQRO-UHFFFAOYSA-N -1 1 356.473 2.456 20 0 FEADMM CN(CCCOc1ccc(F)cc1)C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000532881137 562491655 /nfs/dbraw/zinc/49/16/55/562491655.db2.gz IRXBXPKAUSMBIQ-UHFFFAOYSA-N -1 1 352.406 2.040 20 0 FEADMM CCC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000533181859 562500755 /nfs/dbraw/zinc/50/07/55/562500755.db2.gz FRXBUNAPWKOQPY-STQMWFEESA-N -1 1 352.508 2.311 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc3c(s2)CCCC3)co1 ZINC000534389475 562533202 /nfs/dbraw/zinc/53/32/02/562533202.db2.gz ZOYUAPKYFFUXEQ-UHFFFAOYSA-N -1 1 354.453 2.058 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)N(C)C4=O)ccc2O1 ZINC000534941844 562545828 /nfs/dbraw/zinc/54/58/28/562545828.db2.gz BDQKZGXHNZNUAB-SNVBAGLBSA-N -1 1 372.402 2.037 20 0 FEADMM CCOc1cc(C(=O)NCCNc2cc(C)nn2C)cc(Cl)c1[O-] ZINC000535836542 562569391 /nfs/dbraw/zinc/56/93/91/562569391.db2.gz BYJKGIGDFMCGFR-UHFFFAOYSA-N -1 1 352.822 2.328 20 0 FEADMM CCOC(=O)c1cn(CCNC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000535848499 562569526 /nfs/dbraw/zinc/56/95/26/562569526.db2.gz COIYIOFTNWJFMO-UHFFFAOYSA-N -1 1 353.378 2.349 20 0 FEADMM CCOc1ccccc1N(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000535886460 562570327 /nfs/dbraw/zinc/57/03/27/562570327.db2.gz SULZGASBRGCNKU-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM CCOc1ccccc1N(C)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000535886460 562570328 /nfs/dbraw/zinc/57/03/28/562570328.db2.gz SULZGASBRGCNKU-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000541836754 562621131 /nfs/dbraw/zinc/62/11/31/562621131.db2.gz NMIQQICZOPERMS-QGZVFWFLSA-N -1 1 363.352 2.076 20 0 FEADMM O=C(NC1c2ccccc2Oc2ccccc21)c1cc(=O)n2[n-]cnc2n1 ZINC000541842349 562621220 /nfs/dbraw/zinc/62/12/20/562621220.db2.gz CPILLTSKHDXQES-UHFFFAOYSA-N -1 1 359.345 2.043 20 0 FEADMM Cc1nnc([C@H](C)NC(=O)c2ccc(I)c([O-])c2)o1 ZINC000545457074 562627568 /nfs/dbraw/zinc/62/75/68/562627568.db2.gz IJXIVKBWINSPCO-LURJTMIESA-N -1 1 373.150 2.179 20 0 FEADMM CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000546089692 562633471 /nfs/dbraw/zinc/63/34/71/562633471.db2.gz WHZUCGNTQXLWLC-MRXNPFEDSA-N -1 1 371.416 2.286 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H](C)c2cccnc2)[n-]1 ZINC000550105564 562642545 /nfs/dbraw/zinc/64/25/45/562642545.db2.gz MQTCBTAPVRWKDN-JSGCOSHPSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H](C)c2cccnc2)n[n-]1 ZINC000550105564 562642546 /nfs/dbraw/zinc/64/25/46/562642546.db2.gz MQTCBTAPVRWKDN-JSGCOSHPSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H](C)c2cccnc2)n1 ZINC000550105564 562642547 /nfs/dbraw/zinc/64/25/47/562642547.db2.gz MQTCBTAPVRWKDN-JSGCOSHPSA-N -1 1 359.430 2.384 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cnn1Cc1ccccc1 ZINC000550122722 562642957 /nfs/dbraw/zinc/64/29/57/562642957.db2.gz JDAKUPRJJQEFDG-OAHLLOKOSA-N -1 1 367.409 2.348 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccnc1-2 ZINC000556177259 674391002 /nfs/dbraw/zinc/39/10/02/674391002.db2.gz NKPQEXNMUZISCW-UHFFFAOYSA-N -1 1 356.329 2.161 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3sccc3Cl)[C@@H]2C1 ZINC000556294370 674395410 /nfs/dbraw/zinc/39/54/10/674395410.db2.gz GTBMFRJKDYCIEX-LOWVWBTDSA-N -1 1 362.904 2.327 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3sccc3Cl)[C@H]2C1 ZINC000556294368 674395423 /nfs/dbraw/zinc/39/54/23/674395423.db2.gz GTBMFRJKDYCIEX-GMXVVIOVSA-N -1 1 362.904 2.327 20 0 FEADMM CCC[C@@H](CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000601711192 567818823 /nfs/dbraw/zinc/81/88/23/567818823.db2.gz GDWSOUWBDAFELD-JTQLQIEISA-N -1 1 363.195 2.278 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc4ccsc43)ccnc1-2 ZINC000807025192 674400287 /nfs/dbraw/zinc/40/02/87/674400287.db2.gz QXFIOHLHLRTIAK-UHFFFAOYSA-N -1 1 351.391 2.134 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cc(Br)c(C)s2)n[n-]1 ZINC000603021306 568052458 /nfs/dbraw/zinc/05/24/58/568052458.db2.gz KAZIXTOSOJAENJ-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(Br)c(C)s2)n1 ZINC000603021306 568052459 /nfs/dbraw/zinc/05/24/59/568052459.db2.gz KAZIXTOSOJAENJ-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)n[n-]1 ZINC000603154001 568065271 /nfs/dbraw/zinc/06/52/71/568065271.db2.gz JIUXNIIAQXYUBO-LEWSCRJBSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)[n-]1 ZINC000603154001 568065272 /nfs/dbraw/zinc/06/52/72/568065272.db2.gz JIUXNIIAQXYUBO-LEWSCRJBSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000603154001 568065273 /nfs/dbraw/zinc/06/52/73/568065273.db2.gz JIUXNIIAQXYUBO-LEWSCRJBSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2cccc(Cl)c2F)n[n-]1 ZINC000603154294 568068412 /nfs/dbraw/zinc/06/84/12/568068412.db2.gz KGXNPUUJCIKGHS-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2cccc(Cl)c2F)[n-]1 ZINC000603154294 568068413 /nfs/dbraw/zinc/06/84/13/568068413.db2.gz KGXNPUUJCIKGHS-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cccc(Cl)c2F)n1 ZINC000603154294 568068414 /nfs/dbraw/zinc/06/84/14/568068414.db2.gz KGXNPUUJCIKGHS-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603282292 568082478 /nfs/dbraw/zinc/08/24/78/568082478.db2.gz CRVUFMCHISGBSC-DZGCQCFKSA-N -1 1 361.410 2.126 20 0 FEADMM COc1ccc2c(c1)[nH]cc(C(=O)NCCc1ccc(O)c(OC)c1)c2=O ZINC000604084568 568209482 /nfs/dbraw/zinc/20/94/82/568209482.db2.gz CZYSBIXZIAQPNS-UHFFFAOYSA-N -1 1 368.389 2.223 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000563114791 568220712 /nfs/dbraw/zinc/22/07/12/568220712.db2.gz NWTBETKWXNKACT-MRXNPFEDSA-N -1 1 352.456 2.089 20 0 FEADMM CC(C)n1c2ccc(C(=O)NCc3nn[n-]n3)cc2nc1C(F)(F)F ZINC000604331055 568250904 /nfs/dbraw/zinc/25/09/04/568250904.db2.gz LUPKSXZIDXQTIR-UHFFFAOYSA-N -1 1 353.308 2.079 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1 ZINC000605118755 568573554 /nfs/dbraw/zinc/57/35/54/568573554.db2.gz AMXWOQKAVQGOHN-UHFFFAOYSA-N -1 1 358.423 2.461 20 0 FEADMM CCN(c1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736565546 598843024 /nfs/dbraw/zinc/84/30/24/598843024.db2.gz ZXNMVRMSXJDMRI-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM CCN(c1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736565546 598843025 /nfs/dbraw/zinc/84/30/25/598843025.db2.gz ZXNMVRMSXJDMRI-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM O=C(Cn1cnnc1-c1nn[n-]n1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000737989444 598876323 /nfs/dbraw/zinc/87/63/23/598876323.db2.gz YAPMZYSAZGBCNO-UHFFFAOYSA-N -1 1 373.591 2.057 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1F ZINC000738380320 598936896 /nfs/dbraw/zinc/93/68/96/598936896.db2.gz BDULTFKCICNXCE-AWEZNQCLSA-N -1 1 351.345 2.095 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1F ZINC000738380320 598936898 /nfs/dbraw/zinc/93/68/98/598936898.db2.gz BDULTFKCICNXCE-AWEZNQCLSA-N -1 1 351.345 2.095 20 0 FEADMM O=C1Nc2ccccc2[C@@H]1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738320004 598956773 /nfs/dbraw/zinc/95/67/73/598956773.db2.gz QZICSSNMFNKCRL-LBPRGKRZSA-N -1 1 372.392 2.348 20 0 FEADMM O=C1Nc2ccccc2[C@@H]1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738320004 598956775 /nfs/dbraw/zinc/95/67/75/598956775.db2.gz QZICSSNMFNKCRL-LBPRGKRZSA-N -1 1 372.392 2.348 20 0 FEADMM O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738206313 598983905 /nfs/dbraw/zinc/98/39/05/598983905.db2.gz CANHURIDGVVATB-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738206313 598983907 /nfs/dbraw/zinc/98/39/07/598983907.db2.gz CANHURIDGVVATB-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736214812 599001574 /nfs/dbraw/zinc/00/15/74/599001574.db2.gz VGNVVXPARPDHGI-MRXNPFEDSA-N -1 1 364.409 2.254 20 0 FEADMM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736214812 599001576 /nfs/dbraw/zinc/00/15/76/599001576.db2.gz VGNVVXPARPDHGI-MRXNPFEDSA-N -1 1 364.409 2.254 20 0 FEADMM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736695024 599001592 /nfs/dbraw/zinc/00/15/92/599001592.db2.gz GOFJFILGFOGOIR-CQSZACIVSA-N -1 1 350.382 2.078 20 0 FEADMM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736695024 599001594 /nfs/dbraw/zinc/00/15/94/599001594.db2.gz GOFJFILGFOGOIR-CQSZACIVSA-N -1 1 350.382 2.078 20 0 FEADMM COc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1F ZINC000737099374 599002354 /nfs/dbraw/zinc/00/23/54/599002354.db2.gz MIILAGMLZPIBEE-UHFFFAOYSA-N -1 1 356.361 2.465 20 0 FEADMM COc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1F ZINC000737099374 599002355 /nfs/dbraw/zinc/00/23/55/599002355.db2.gz MIILAGMLZPIBEE-UHFFFAOYSA-N -1 1 356.361 2.465 20 0 FEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736506351 599004370 /nfs/dbraw/zinc/00/43/70/599004370.db2.gz VMUQVPDGXPBYGY-ZDUSSCGKSA-N -1 1 366.425 2.364 20 0 FEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736506351 599004372 /nfs/dbraw/zinc/00/43/72/599004372.db2.gz VMUQVPDGXPBYGY-ZDUSSCGKSA-N -1 1 366.425 2.364 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000738258173 599024516 /nfs/dbraw/zinc/02/45/16/599024516.db2.gz GZWIKMWWALNKGH-UHFFFAOYSA-N -1 1 366.400 2.496 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000738258173 599024518 /nfs/dbraw/zinc/02/45/18/599024518.db2.gz GZWIKMWWALNKGH-UHFFFAOYSA-N -1 1 366.400 2.496 20 0 FEADMM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737149129 599028147 /nfs/dbraw/zinc/02/81/47/599028147.db2.gz WLXMBJFWUSXZMY-OAHLLOKOSA-N -1 1 350.382 2.248 20 0 FEADMM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737149129 599028148 /nfs/dbraw/zinc/02/81/48/599028148.db2.gz WLXMBJFWUSXZMY-OAHLLOKOSA-N -1 1 350.382 2.248 20 0 FEADMM Cc1cccc(NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737398588 599044476 /nfs/dbraw/zinc/04/44/76/599044476.db2.gz CEPZALVSIUZFGX-UHFFFAOYSA-N -1 1 363.425 2.287 20 0 FEADMM Cc1cccc(NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737398588 599044478 /nfs/dbraw/zinc/04/44/78/599044478.db2.gz CEPZALVSIUZFGX-UHFFFAOYSA-N -1 1 363.425 2.287 20 0 FEADMM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738147405 599107698 /nfs/dbraw/zinc/10/76/98/599107698.db2.gz VSNTUVQXQVHCOL-UHFFFAOYSA-N -1 1 352.402 2.360 20 0 FEADMM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738147405 599107700 /nfs/dbraw/zinc/10/77/00/599107700.db2.gz VSNTUVQXQVHCOL-UHFFFAOYSA-N -1 1 352.402 2.360 20 0 FEADMM O=C(OCc1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244397 599132865 /nfs/dbraw/zinc/13/28/65/599132865.db2.gz HZTFPIQJLQCGGH-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244397 599132868 /nfs/dbraw/zinc/13/28/68/599132868.db2.gz HZTFPIQJLQCGGH-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM CSc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737193350 599141168 /nfs/dbraw/zinc/14/11/68/599141168.db2.gz PVXFKSIYCDGWLJ-UHFFFAOYSA-N -1 1 355.379 2.023 20 0 FEADMM CSc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737193350 599141171 /nfs/dbraw/zinc/14/11/71/599141171.db2.gz PVXFKSIYCDGWLJ-UHFFFAOYSA-N -1 1 355.379 2.023 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000819188407 597214929 /nfs/dbraw/zinc/21/49/29/597214929.db2.gz ONKIXCGKGSPYCG-UHFFFAOYSA-N -1 1 368.437 2.244 20 0 FEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)c(OCC(=O)N(C)C)c1 ZINC000822255355 607314529 /nfs/dbraw/zinc/31/45/29/607314529.db2.gz ZOSRRMDXHYNBOK-UHFFFAOYSA-N -1 1 372.454 2.316 20 0 FEADMM CC[C@H]1C[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807706520 674424899 /nfs/dbraw/zinc/42/48/99/674424899.db2.gz WUIAETYUDPLTFB-PEDHHIEDSA-N -1 1 364.408 2.496 20 0 FEADMM Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(C(=O)[O-])c(C)c3)[nH]c21 ZINC000821000658 598061538 /nfs/dbraw/zinc/06/15/38/598061538.db2.gz ZNMAMCZNTLNTBH-UHFFFAOYSA-N -1 1 366.377 2.133 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cnc1Cl ZINC000822211819 607327932 /nfs/dbraw/zinc/32/79/32/607327932.db2.gz PQHNUNYHVDFHFS-UHFFFAOYSA-N -1 1 368.781 2.163 20 0 FEADMM Clc1nsc(NCc2ccccc2Cn2cncn2)c1-c1nnn[n-]1 ZINC000737582839 598237427 /nfs/dbraw/zinc/23/74/27/598237427.db2.gz GEPAIJWCVLSXEA-UHFFFAOYSA-N -1 1 373.833 2.229 20 0 FEADMM Clc1nsc(NCc2ccccc2Cn2cncn2)c1-c1nn[n-]n1 ZINC000737582839 598237428 /nfs/dbraw/zinc/23/74/28/598237428.db2.gz GEPAIJWCVLSXEA-UHFFFAOYSA-N -1 1 373.833 2.229 20 0 FEADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802060 674430220 /nfs/dbraw/zinc/43/02/20/674430220.db2.gz NVGVYNGJRROXQK-NAYUARGSSA-N -1 1 362.392 2.296 20 0 FEADMM Cc1ccn(Cc2ccc(F)cc2Br)c(=O)c1-c1nn[n-]n1 ZINC000822374392 607349625 /nfs/dbraw/zinc/34/96/25/607349625.db2.gz UNDVBNBDWJZDKF-UHFFFAOYSA-N -1 1 364.178 2.287 20 0 FEADMM CCc1nn(CCCOc2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705770 598379403 /nfs/dbraw/zinc/37/94/03/598379403.db2.gz OROGVVMBGQSYIK-UHFFFAOYSA-N -1 1 372.404 2.156 20 0 FEADMM O=C(c1cncc([O-])c1)N(CCO)Cc1cccc(Br)c1 ZINC000557027553 674433273 /nfs/dbraw/zinc/43/32/73/674433273.db2.gz RLMRXEWBLCBIJO-UHFFFAOYSA-N -1 1 351.200 2.184 20 0 FEADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737372157 598406185 /nfs/dbraw/zinc/40/61/85/598406185.db2.gz VOXMPZRUULSKNO-INIZCTEOSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCN(c3ccccc3)C2=O)n1 ZINC000737472340 598584823 /nfs/dbraw/zinc/58/48/23/598584823.db2.gz ZYDOGRGHAHLJAK-CYBMUJFWSA-N -1 1 367.438 2.171 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1F ZINC000737369169 598593639 /nfs/dbraw/zinc/59/36/39/598593639.db2.gz GSRVWGYUSROQOT-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000735497328 598594452 /nfs/dbraw/zinc/59/44/52/598594452.db2.gz AGLPNWCHQGHFCJ-UHFFFAOYSA-N -1 1 361.358 2.009 20 0 FEADMM COC(=O)c1sc2ccccc2c1CNc1nccnc1-c1nnn[n-]1 ZINC000736957394 598613215 /nfs/dbraw/zinc/61/32/15/598613215.db2.gz RIXWLQXXILUCPC-UHFFFAOYSA-N -1 1 367.394 2.270 20 0 FEADMM COC(=O)c1sc2ccccc2c1CNc1nccnc1-c1nn[n-]n1 ZINC000736957394 598613216 /nfs/dbraw/zinc/61/32/16/598613216.db2.gz RIXWLQXXILUCPC-UHFFFAOYSA-N -1 1 367.394 2.270 20 0 FEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000736435750 598614223 /nfs/dbraw/zinc/61/42/23/598614223.db2.gz LLBZJGIFXRFZCE-CQSZACIVSA-N -1 1 364.475 2.289 20 0 FEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000736435750 598614224 /nfs/dbraw/zinc/61/42/24/598614224.db2.gz LLBZJGIFXRFZCE-CQSZACIVSA-N -1 1 364.475 2.289 20 0 FEADMM CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735703136 598689552 /nfs/dbraw/zinc/68/95/52/598689552.db2.gz RRWJXEUNEQXDLV-SNVBAGLBSA-N -1 1 353.423 2.203 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737341262 598692210 /nfs/dbraw/zinc/69/22/10/598692210.db2.gz DYZNDJAXHXVRJG-UHFFFAOYSA-N -1 1 361.402 2.101 20 0 FEADMM O=S(=O)(Oc1cc(F)cc(F)c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738340558 598693569 /nfs/dbraw/zinc/69/35/69/598693569.db2.gz ZACMBTRMMBBFJD-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737341491 598694896 /nfs/dbraw/zinc/69/48/96/598694896.db2.gz LHEPATLISWDPOL-UHFFFAOYSA-N -1 1 367.431 2.196 20 0 FEADMM O=C(NCCC1(O)CCC1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000557200941 674441971 /nfs/dbraw/zinc/44/19/71/674441971.db2.gz DMMFTNPANKJWNG-UHFFFAOYSA-N -1 1 365.227 2.326 20 0 FEADMM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000808127920 674443342 /nfs/dbraw/zinc/44/33/42/674443342.db2.gz WURQCVCRNYGGOO-UHFFFAOYSA-N -1 1 357.343 2.264 20 0 FEADMM O=S(=O)([N-][C@@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1F ZINC000808350633 674455446 /nfs/dbraw/zinc/45/54/46/674455446.db2.gz CFSRHLVSAWZEGW-IUODEOHRSA-N -1 1 357.790 2.252 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000737202279 598809758 /nfs/dbraw/zinc/80/97/58/598809758.db2.gz ZOPOUWMNFJJWKC-ZIBATOQPSA-N -1 1 372.473 2.458 20 0 FEADMM CC[C@H](C)[C@@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820859550 599379811 /nfs/dbraw/zinc/37/98/11/599379811.db2.gz FQWFYQSGXGRZNC-VOJFVSQTSA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@H](C)[C@@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820859550 599379814 /nfs/dbraw/zinc/37/98/14/599379814.db2.gz FQWFYQSGXGRZNC-VOJFVSQTSA-N -1 1 372.429 2.086 20 0 FEADMM CSC[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000737177908 599391812 /nfs/dbraw/zinc/39/18/12/599391812.db2.gz VLMRDNAUHDOXNZ-MRVPVSSYSA-N -1 1 364.500 2.342 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808573797 674463759 /nfs/dbraw/zinc/46/37/59/674463759.db2.gz LDEDDJKWTXPJFH-UHFFFAOYSA-N -1 1 372.187 2.048 20 0 FEADMM CCOC(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821335080 599480215 /nfs/dbraw/zinc/48/02/15/599480215.db2.gz XMOJJPGYEXPLNU-LBPRGKRZSA-N -1 1 367.413 2.130 20 0 FEADMM CCOC(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821335080 599480216 /nfs/dbraw/zinc/48/02/16/599480216.db2.gz XMOJJPGYEXPLNU-LBPRGKRZSA-N -1 1 367.413 2.130 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3nnn[n-]3)o2)N(C)C(=O)N1C ZINC000821033870 599492058 /nfs/dbraw/zinc/49/20/58/599492058.db2.gz GELFAVUOSYTGFT-CQSZACIVSA-N -1 1 374.401 2.115 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3nn[n-]n3)o2)N(C)C(=O)N1C ZINC000821033870 599492059 /nfs/dbraw/zinc/49/20/59/599492059.db2.gz GELFAVUOSYTGFT-CQSZACIVSA-N -1 1 374.401 2.115 20 0 FEADMM CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321161 599493029 /nfs/dbraw/zinc/49/30/29/599493029.db2.gz UZTDJNRTBVXIOD-OTYXRUKQSA-N -1 1 374.401 2.162 20 0 FEADMM CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321161 599493030 /nfs/dbraw/zinc/49/30/30/599493030.db2.gz UZTDJNRTBVXIOD-OTYXRUKQSA-N -1 1 374.401 2.162 20 0 FEADMM CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321163 599493133 /nfs/dbraw/zinc/49/31/33/599493133.db2.gz UZTDJNRTBVXIOD-YMTOWFKASA-N -1 1 374.401 2.162 20 0 FEADMM CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321163 599493135 /nfs/dbraw/zinc/49/31/35/599493135.db2.gz UZTDJNRTBVXIOD-YMTOWFKASA-N -1 1 374.401 2.162 20 0 FEADMM CC[C@@]1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000820950653 599494636 /nfs/dbraw/zinc/49/46/36/599494636.db2.gz PWXHFPCAGAGVCZ-INIZCTEOSA-N -1 1 362.459 2.342 20 0 FEADMM CCCNC(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821113698 599505518 /nfs/dbraw/zinc/50/55/18/599505518.db2.gz DEIUYNWCQSKGIT-ZDUSSCGKSA-N -1 1 365.441 2.158 20 0 FEADMM CCCNC(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821113698 599505520 /nfs/dbraw/zinc/50/55/20/599505520.db2.gz DEIUYNWCQSKGIT-ZDUSSCGKSA-N -1 1 365.441 2.158 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC[C@H](C2OCCO2)C1 ZINC000823792529 599518075 /nfs/dbraw/zinc/51/80/75/599518075.db2.gz WNJPUMURLJPBGB-LBPRGKRZSA-N -1 1 352.398 2.004 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC[C@H](C2OCCO2)C1 ZINC000823792529 599518076 /nfs/dbraw/zinc/51/80/76/599518076.db2.gz WNJPUMURLJPBGB-LBPRGKRZSA-N -1 1 352.398 2.004 20 0 FEADMM CN(CCNc1snc(Cl)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000821602877 599518943 /nfs/dbraw/zinc/51/89/43/599518943.db2.gz ZCCUPHYGSPAMLC-UHFFFAOYSA-N -1 1 359.843 2.255 20 0 FEADMM CN(CCNc1snc(Cl)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000821602877 599518944 /nfs/dbraw/zinc/51/89/44/599518944.db2.gz ZCCUPHYGSPAMLC-UHFFFAOYSA-N -1 1 359.843 2.255 20 0 FEADMM O=C1C[C@H](c2cccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)c2)CN1 ZINC000823519209 607388180 /nfs/dbraw/zinc/38/81/80/607388180.db2.gz DOLASPFHSRKNTK-LBPRGKRZSA-N -1 1 372.392 2.157 20 0 FEADMM O=C1C[C@H](c2cccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)c2)CN1 ZINC000823519209 607388182 /nfs/dbraw/zinc/38/81/82/607388182.db2.gz DOLASPFHSRKNTK-LBPRGKRZSA-N -1 1 372.392 2.157 20 0 FEADMM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000739742494 599766944 /nfs/dbraw/zinc/76/69/44/599766944.db2.gz WAEWODDCGZDDGO-UHFFFAOYSA-N -1 1 368.349 2.127 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Br)ccc1Cl ZINC000036972337 599776152 /nfs/dbraw/zinc/77/61/52/599776152.db2.gz ZGVKJHPNPUMIEA-NSHDSACASA-N -1 1 372.606 2.251 20 0 FEADMM CC(C)C(=O)NC[C@@H]1CCCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000736347694 599782990 /nfs/dbraw/zinc/78/29/90/599782990.db2.gz WZTDDFODRYLWPF-AWEZNQCLSA-N -1 1 358.442 2.176 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C)c(C(=O)[O-])s1 ZINC000737680323 599813922 /nfs/dbraw/zinc/81/39/22/599813922.db2.gz HOLCUIRQEXWJTA-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)N2CCCC2)c1 ZINC000738090697 599840182 /nfs/dbraw/zinc/84/01/82/599840182.db2.gz HYYAMGVMGQBRBG-DLBZAZTESA-N -1 1 363.458 2.241 20 0 FEADMM COc1ccc([C@H](NCc2cc(=O)n3cc(Cl)ccc3n2)C(=O)[O-])cc1 ZINC000737968642 599856946 /nfs/dbraw/zinc/85/69/46/599856946.db2.gz CNZWEPFDWOEOLG-KRWDZBQOSA-N -1 1 373.796 2.272 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)CCCCC1 ZINC000739285671 599994223 /nfs/dbraw/zinc/99/42/23/599994223.db2.gz KDDTVVLWUCJAPR-MJGOQNOKSA-N -1 1 374.481 2.478 20 0 FEADMM Cc1ccccc1Nc1nc(N)nc(CN(CCC(=O)[O-])CC(C)C)n1 ZINC000738778197 600091216 /nfs/dbraw/zinc/09/12/16/600091216.db2.gz NSAYGLNFADUKAH-UHFFFAOYSA-N -1 1 358.446 2.439 20 0 FEADMM COC(=O)c1sc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1C ZINC000737721374 600094157 /nfs/dbraw/zinc/09/41/57/600094157.db2.gz XJOMZBVZEREOIV-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CN(CCO)CC1CC1 ZINC000739275337 600148431 /nfs/dbraw/zinc/14/84/31/600148431.db2.gz VCJBMTRFQJRSFR-UHFFFAOYSA-N -1 1 361.225 2.334 20 0 FEADMM O=C([O-])c1cc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000738672224 600181676 /nfs/dbraw/zinc/18/16/76/600181676.db2.gz OGIPFMHLYXSDCN-GJZGRUSLSA-N -1 1 367.833 2.101 20 0 FEADMM COc1ccc(-c2n[nH]c(SCc3noc(CCC(=O)[O-])n3)n2)cc1 ZINC000737911264 600184144 /nfs/dbraw/zinc/18/41/44/600184144.db2.gz FLXUZCKERSBTBN-UHFFFAOYSA-N -1 1 361.383 2.173 20 0 FEADMM O=C([O-])COc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000739825696 600204342 /nfs/dbraw/zinc/20/43/42/600204342.db2.gz DWWCHZZGEMXQII-UHFFFAOYSA-N -1 1 358.375 2.499 20 0 FEADMM O=C([O-])[C@H](NCc1cc(=O)c(O)co1)c1ccc(Br)cc1 ZINC000739501259 600208994 /nfs/dbraw/zinc/20/89/94/600208994.db2.gz VCOSFUOMTOUAIY-CYBMUJFWSA-N -1 1 354.156 2.023 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000738521602 600216946 /nfs/dbraw/zinc/21/69/46/600216946.db2.gz YNIZJWXXQHEHRF-ZFWWWQNUSA-N -1 1 356.426 2.243 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCCc1ccc(Cl)cc1)CC2 ZINC000739277868 600296227 /nfs/dbraw/zinc/29/62/27/600296227.db2.gz JQRQELFTIBCVFD-HNNXBMFYSA-N -1 1 350.846 2.185 20 0 FEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736825235 600297967 /nfs/dbraw/zinc/29/79/67/600297967.db2.gz MEBDINIPIREGKS-GJZGRUSLSA-N -1 1 355.438 2.425 20 0 FEADMM Cc1cc(C)cc(OCCN(C)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738363297 600300278 /nfs/dbraw/zinc/30/02/78/600300278.db2.gz DMUMUTXKCVZQHS-SFHVURJKSA-N -1 1 374.481 2.327 20 0 FEADMM CC(C)c1ccc(OCCNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736514805 600302911 /nfs/dbraw/zinc/30/29/11/600302911.db2.gz BMHNZCOSTNKQLB-GOSISDBHSA-N -1 1 374.481 2.492 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736167164 600304210 /nfs/dbraw/zinc/30/42/10/600304210.db2.gz HWIFCWLGEAUVIR-BLLLJJGKSA-N -1 1 359.426 2.159 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(F)c1 ZINC000737357820 600341408 /nfs/dbraw/zinc/34/14/08/600341408.db2.gz FDWAHLHQLRPLFF-HZPDHXFCSA-N -1 1 363.433 2.325 20 0 FEADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737115680 600346741 /nfs/dbraw/zinc/34/67/41/600346741.db2.gz PDVBRIBVCQBQAH-GFCCVEGCSA-N -1 1 360.863 2.191 20 0 FEADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000737114428 600346794 /nfs/dbraw/zinc/34/67/94/600346794.db2.gz DQEOQKOEAZBBMI-LBPRGKRZSA-N -1 1 360.863 2.191 20 0 FEADMM COc1ccc(-c2csc(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])n2)cc1 ZINC000737912563 600370119 /nfs/dbraw/zinc/37/01/19/600370119.db2.gz RURVEWDHPGTADR-LLVKDONJSA-N -1 1 363.439 2.410 20 0 FEADMM C[C@H](CN(C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C(=O)[O-] ZINC000263324142 600370853 /nfs/dbraw/zinc/37/08/53/600370853.db2.gz KEOPTRUEOCGRIN-LLVKDONJSA-N -1 1 365.430 2.464 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736443970 600382063 /nfs/dbraw/zinc/38/20/63/600382063.db2.gz SSXOXTHRZNHCLW-CYBMUJFWSA-N -1 1 353.394 2.002 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000568990495 600401101 /nfs/dbraw/zinc/40/11/01/600401101.db2.gz KJQPCAJIWLEBGI-SFHVURJKSA-N -1 1 374.462 2.209 20 0 FEADMM CCC[C@@](C)(NCC(=O)N(CC)Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736960802 600462387 /nfs/dbraw/zinc/46/23/87/600462387.db2.gz QJMUIQLCFKSARF-LJQANCHMSA-N -1 1 364.442 2.039 20 0 FEADMM CCc1[nH]c(C(=O)NC2CCN(Cc3cccnc3)CC2)c(C)c1C(=O)[O-] ZINC000737240168 600551804 /nfs/dbraw/zinc/55/18/04/600551804.db2.gz IARDJJLPRKKUGO-UHFFFAOYSA-N -1 1 370.453 2.373 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000736863940 600561515 /nfs/dbraw/zinc/56/15/15/600561515.db2.gz RNKBUZREMSDSAZ-KSMMKXTCSA-N -1 1 363.458 2.082 20 0 FEADMM CC[C@@](C)(NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000736863936 600561656 /nfs/dbraw/zinc/56/16/56/600561656.db2.gz RNKBUZREMSDSAZ-BIENJYKASA-N -1 1 363.458 2.082 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3ccccc3NC(=O)[O-])CC2)c1 ZINC000738142676 600589052 /nfs/dbraw/zinc/58/90/52/600589052.db2.gz DVANKJMJVRRYDE-UHFFFAOYSA-N -1 1 356.382 2.143 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)Nc3nnc(CCCC(=O)[O-])s3)c[n-]c2[nH+]1 ZINC000738664702 600603165 /nfs/dbraw/zinc/60/31/65/600603165.db2.gz JJDMEPCYXLEIFD-UHFFFAOYSA-N -1 1 373.394 2.155 20 0 FEADMM COC(=O)Nc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000320589478 600675014 /nfs/dbraw/zinc/67/50/14/600675014.db2.gz QCZXEWMLAOSLAH-UHFFFAOYSA-N -1 1 356.381 2.425 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000740065853 600685636 /nfs/dbraw/zinc/68/56/36/600685636.db2.gz HMIRCAHFDXYCKU-YOEHRIQHSA-N -1 1 352.390 2.268 20 0 FEADMM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@](C)(O)C(=O)[O-] ZINC000737010798 600760989 /nfs/dbraw/zinc/76/09/89/600760989.db2.gz BIUUYXPFFYTGLD-HNNXBMFYSA-N -1 1 363.241 2.480 20 0 FEADMM Cc1ccc(S(=O)(=O)N(CC(C)C)C2CCN(C)CC2)cc1C(=O)[O-] ZINC000832954044 600773929 /nfs/dbraw/zinc/77/39/29/600773929.db2.gz IYOMYQIHZQIFAS-UHFFFAOYSA-N -1 1 368.499 2.434 20 0 FEADMM CCN1CCN(c2ccc(C(=O)OCc3occc3C(=O)[O-])cc2)CC1 ZINC000737116890 600804509 /nfs/dbraw/zinc/80/45/09/600804509.db2.gz RJCIGQATXPOYAL-UHFFFAOYSA-N -1 1 358.394 2.477 20 0 FEADMM O=C([O-])CCSCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000833240765 600952644 /nfs/dbraw/zinc/95/26/44/600952644.db2.gz YDTBRSDOKFYAHW-MRXNPFEDSA-N -1 1 350.484 2.365 20 0 FEADMM O=C([O-])C[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)c2ccccc21 ZINC000739654069 600961798 /nfs/dbraw/zinc/96/17/98/600961798.db2.gz QYOVHEFUQHLVAE-LBPRGKRZSA-N -1 1 371.418 2.087 20 0 FEADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000832871697 600987096 /nfs/dbraw/zinc/98/70/96/600987096.db2.gz VPVWJWSHFATARR-UHFFFAOYSA-N -1 1 366.443 2.078 20 0 FEADMM C[C@@](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)(C(=O)[O-])C1CC1 ZINC000827728278 601036626 /nfs/dbraw/zinc/03/66/26/601036626.db2.gz QTVXCIFZCCCHGB-HNNXBMFYSA-N -1 1 370.331 2.363 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000630221822 601086720 /nfs/dbraw/zinc/08/67/20/601086720.db2.gz CBXIZQLODFVDPG-LBPRGKRZSA-N -1 1 374.359 2.092 20 0 FEADMM c1cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)cc(-c2nnn[n-]2)n1 ZINC000826515961 607487577 /nfs/dbraw/zinc/48/75/77/607487577.db2.gz RBDPQUYRPMFFAK-CQSZACIVSA-N -1 1 352.402 2.249 20 0 FEADMM c1cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)cc(-c2nn[n-]n2)n1 ZINC000826515961 607487578 /nfs/dbraw/zinc/48/75/78/607487578.db2.gz RBDPQUYRPMFFAK-CQSZACIVSA-N -1 1 352.402 2.249 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000630221096 601090342 /nfs/dbraw/zinc/09/03/42/601090342.db2.gz SVFHRPYNFITBHJ-LBPRGKRZSA-N -1 1 363.845 2.371 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000630224379 601092797 /nfs/dbraw/zinc/09/27/97/601092797.db2.gz NLZPHOWTPMTVLM-CYBMUJFWSA-N -1 1 350.846 2.379 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000827375076 601093253 /nfs/dbraw/zinc/09/32/53/601093253.db2.gz PGZGEVWJOXJBCF-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000630224142 601101717 /nfs/dbraw/zinc/10/17/17/601101717.db2.gz MKQYHAFETFPXJJ-YWMUFLPLSA-N -1 1 356.466 2.288 20 0 FEADMM Cc1ccc2c(CCC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c[nH]c2c1 ZINC000832960455 601102304 /nfs/dbraw/zinc/10/23/04/601102304.db2.gz RANXLZOHTAPWRG-HNNXBMFYSA-N -1 1 357.454 2.416 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000737529219 601125440 /nfs/dbraw/zinc/12/54/40/601125440.db2.gz UMRMVJZYDPPYTP-UHFFFAOYSA-N -1 1 353.422 2.385 20 0 FEADMM COc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000832398129 601126665 /nfs/dbraw/zinc/12/66/65/601126665.db2.gz FHJZCUNHBPRIPR-NSHDSACASA-N -1 1 355.822 2.361 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)CC1 ZINC000827374792 601134759 /nfs/dbraw/zinc/13/47/59/601134759.db2.gz LUTCUAUNINZMLO-NSHDSACASA-N -1 1 354.476 2.453 20 0 FEADMM Cc1ccc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)cc1C(=O)[O-] ZINC000832939907 601157380 /nfs/dbraw/zinc/15/73/80/601157380.db2.gz GQOJWSDMCAOBAQ-QGZVFWFLSA-N -1 1 369.421 2.051 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000828707905 601170705 /nfs/dbraw/zinc/17/07/05/601170705.db2.gz IQTNLCPQCTTXTE-IEZWGBDMSA-N -1 1 361.486 2.203 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)cc12 ZINC000833023573 601333345 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Cn1cc(NS(=O)(=O)c2ccccc2Br)cc1C(=O)[O-] ZINC000833053012 601783950 /nfs/dbraw/zinc/78/39/50/601783950.db2.gz MSBWBJXWVFOXAI-UHFFFAOYSA-N -1 1 359.201 2.287 20 0 FEADMM C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000237502641 601835301 /nfs/dbraw/zinc/83/53/01/601835301.db2.gz QOPMJUVKJYLOMP-NSHDSACASA-N -1 1 360.863 2.048 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000237565813 601835314 /nfs/dbraw/zinc/83/53/14/601835314.db2.gz WRISGXBIOUEXDE-NEPJUHHUSA-N -1 1 374.890 2.437 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1C ZINC000831434845 601861263 /nfs/dbraw/zinc/86/12/63/601861263.db2.gz GPRLLXRETZRDCL-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])cc12 ZINC000833023986 601863726 /nfs/dbraw/zinc/86/37/26/601863726.db2.gz QIDKNBZRIDQDMG-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM O=C([O-])NC1(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCCC1 ZINC000740534275 601871638 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FEADMM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000827622151 601924865 /nfs/dbraw/zinc/92/48/65/601924865.db2.gz HKFCTULOQYRCDS-YWPYICTPSA-N -1 1 354.447 2.284 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000828024848 601942760 /nfs/dbraw/zinc/94/27/60/601942760.db2.gz YQCKKAGBMSAEIK-HXUWFJFHSA-N -1 1 373.453 2.094 20 0 FEADMM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738618552 601943825 /nfs/dbraw/zinc/94/38/25/601943825.db2.gz TZDUWGGRABFGQT-HZSPNIEDSA-N -1 1 351.472 2.390 20 0 FEADMM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000740452400 601953397 /nfs/dbraw/zinc/95/33/97/601953397.db2.gz CFSUFNOJZWDLTH-KFWWJZLASA-N -1 1 369.425 2.399 20 0 FEADMM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000740452400 601953400 /nfs/dbraw/zinc/95/34/00/601953400.db2.gz CFSUFNOJZWDLTH-KFWWJZLASA-N -1 1 369.425 2.399 20 0 FEADMM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c1Br 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O=C([O-])N1CC[C@@H](N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740505061 602875566 /nfs/dbraw/zinc/87/55/66/602875566.db2.gz JLYYJKWXXJFPOT-YPMHNXCESA-N -1 1 357.332 2.153 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000558682091 674510560 /nfs/dbraw/zinc/51/05/60/674510560.db2.gz DMSZJJUJYMGZGZ-UHFFFAOYSA-N -1 1 357.325 2.479 20 0 FEADMM Cc1cc(C)nc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000826266014 607594300 /nfs/dbraw/zinc/59/43/00/607594300.db2.gz YOUGSLKXATZQHO-UHFFFAOYSA-N -1 1 367.413 2.167 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000737051663 603077108 /nfs/dbraw/zinc/07/71/08/603077108.db2.gz YAHORNVJZAHCPY-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)n1 ZINC000737051663 603077113 /nfs/dbraw/zinc/07/71/13/603077113.db2.gz YAHORNVJZAHCPY-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000824030134 607606128 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CCC(CC)(CNC(=O)NCc1nc(-c2ccccc2)n[nH]1)NC(=O)[O-] ZINC000826541223 604152024 /nfs/dbraw/zinc/15/20/24/604152024.db2.gz RZIRBVHJTLTXQX-UHFFFAOYSA-N -1 1 360.418 2.097 20 0 FEADMM O=C([O-])NCCCOC1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000832634005 604152242 /nfs/dbraw/zinc/15/22/42/604152242.db2.gz YKWYAKYZGKEAJA-UHFFFAOYSA-N -1 1 359.430 2.041 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000825256376 604258927 /nfs/dbraw/zinc/25/89/27/604258927.db2.gz WZVCDXLPPFKUMJ-HOTGVXAUSA-N -1 1 359.470 2.203 20 0 FEADMM Cc1cc(OCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc(C)c1Cl ZINC000630223413 604299140 /nfs/dbraw/zinc/29/91/40/604299140.db2.gz JFEBCFPBLNPOGI-CQSZACIVSA-N -1 1 368.861 2.343 20 0 FEADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(CCC2OCCCO2)CC1 ZINC000833173622 604359097 /nfs/dbraw/zinc/35/90/97/604359097.db2.gz SSCBZVDWAOQVQQ-KRWDZBQOSA-N -1 1 368.861 2.236 20 0 FEADMM COc1cc(CNC2CN(C(=O)[O-])C2)ccc1OCc1c(C)noc1C ZINC000829125742 604419745 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ZINC000825074348 607723742 /nfs/dbraw/zinc/72/37/42/607723742.db2.gz GTOXIUGYUZCTJV-LBPRGKRZSA-N -1 1 370.413 2.219 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000833421174 604935332 /nfs/dbraw/zinc/93/53/32/604935332.db2.gz JATDTCALOLBXQM-ZDUSSCGKSA-N -1 1 362.426 2.219 20 0 FEADMM C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000828123158 604981593 /nfs/dbraw/zinc/98/15/93/604981593.db2.gz UKZSTMVDLQRFBN-GUYCJALGSA-N -1 1 365.817 2.004 20 0 FEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833624169 605002637 /nfs/dbraw/zinc/00/26/37/605002637.db2.gz LEAORWGWWRROHF-YGRLFVJLSA-N -1 1 360.863 2.045 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC000833512757 605003476 /nfs/dbraw/zinc/00/34/76/605003476.db2.gz SYSMSRIMVWUKJU-MRVPVSSYSA-N -1 1 372.834 2.319 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@@H](OCc2ccncc2)C1 ZINC000826523269 607729292 /nfs/dbraw/zinc/72/92/92/607729292.db2.gz HDGLDZMDFQENKC-CQSZACIVSA-N -1 1 374.408 2.000 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@@H](OCc2ccncc2)C1 ZINC000826523269 607729293 /nfs/dbraw/zinc/72/92/93/607729293.db2.gz HDGLDZMDFQENKC-CQSZACIVSA-N -1 1 374.408 2.000 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000833618292 605107705 /nfs/dbraw/zinc/10/77/05/605107705.db2.gz ADGJNCFAHXOYBQ-JHJVBQTASA-N -1 1 352.381 2.076 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833747282 605112901 /nfs/dbraw/zinc/11/29/01/605112901.db2.gz ICXUOCNYDSFRAT-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Br)c(F)c1 ZINC000833626958 605113496 /nfs/dbraw/zinc/11/34/96/605113496.db2.gz TVOZUAXDEVHZLF-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000833622313 605158852 /nfs/dbraw/zinc/15/88/52/605158852.db2.gz OYACKGOVTZKXDQ-LFAOLKIESA-N -1 1 353.422 2.255 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C[C@@H]1C ZINC000833657610 605164937 /nfs/dbraw/zinc/16/49/37/605164937.db2.gz MZPANVQSIJJDAX-NWDGAFQWSA-N -1 1 363.414 2.118 20 0 FEADMM O=C([O-])c1ccc(NC(=O)CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000833765127 605186727 /nfs/dbraw/zinc/18/67/27/605186727.db2.gz XWQKLVPCOZIELW-UHFFFAOYSA-N -1 1 354.362 2.331 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(NCCC2CCN(C(=O)[O-])CC2)c1 ZINC000831178430 605247276 /nfs/dbraw/zinc/24/72/76/605247276.db2.gz HZWLJUXCZNHHLV-SFHVURJKSA-N -1 1 374.485 2.328 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)CCN1CCC(=O)[O-] ZINC000833622831 605252155 /nfs/dbraw/zinc/25/21/55/605252155.db2.gz OKRCQBRZBPGSDL-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H]1CN(C(=O)c2ccccc2Br)CCN1CCC(=O)[O-] ZINC000833619768 605256899 /nfs/dbraw/zinc/25/68/99/605256899.db2.gz DRTWGEOSGQFSIE-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM COC(=O)C1=C(C)O[C@H](CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)C1 ZINC000833704391 605330880 /nfs/dbraw/zinc/33/08/80/605330880.db2.gz QJYKESCVRHXRQR-GUYCJALGSA-N -1 1 374.437 2.131 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cccc(Br)c1O ZINC000825838251 605363379 /nfs/dbraw/zinc/36/33/79/605363379.db2.gz OYWVEXPOBHLDEV-BDAKNGLRSA-N -1 1 357.204 2.415 20 0 FEADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1CO ZINC000833662371 605418563 /nfs/dbraw/zinc/41/85/63/605418563.db2.gz CTWBCYQVWCRMFL-UHFFFAOYSA-N -1 1 369.395 2.232 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000833814875 605485750 /nfs/dbraw/zinc/48/57/50/605485750.db2.gz FQEZQKWYWABFDE-RRFJBIMHSA-N -1 1 364.446 2.104 20 0 FEADMM O=C([O-])N1CCC[C@H]1C1CCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000834108165 605496424 /nfs/dbraw/zinc/49/64/24/605496424.db2.gz PBFUEZFCKLEODO-KRWDZBQOSA-N -1 1 359.474 2.431 20 0 FEADMM O=C([O-])N1CC(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C1 ZINC000834006446 605515808 /nfs/dbraw/zinc/51/58/08/605515808.db2.gz CREXEAMMGBLACQ-UHFFFAOYSA-N -1 1 374.441 2.049 20 0 FEADMM O=C([O-])N1CC(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)C1 ZINC000834015553 605618818 /nfs/dbraw/zinc/61/88/18/605618818.db2.gz RBROJSGPICLCFB-KRWDZBQOSA-N -1 1 350.378 2.378 20 0 FEADMM CC(C)CCc1nc(CONC(=N)[C@H]2COCCN2C(=O)[O-])cs1 ZINC000833793947 605730887 /nfs/dbraw/zinc/73/08/87/605730887.db2.gz KBAUMPPTIWTCRC-GFCCVEGCSA-N -1 1 356.448 2.109 20 0 FEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCc3cc(F)cc(F)c3)C2)CC1 ZINC000834007273 605896424 /nfs/dbraw/zinc/89/64/24/605896424.db2.gz JHRXSXGTPWTNSA-UHFFFAOYSA-N -1 1 367.396 2.047 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)N3CCN(C4CCCC4)CC3)cc2C1 ZINC000834121847 605925021 /nfs/dbraw/zinc/92/50/21/605925021.db2.gz SPLPJYRIPXHZTC-UHFFFAOYSA-N -1 1 373.457 2.210 20 0 FEADMM O=C([O-])Nc1ccccc1CC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000834275008 606056600 /nfs/dbraw/zinc/05/66/00/606056600.db2.gz WNAAMOJYYLPLLP-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM O=C([O-])Nc1ccccc1CC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000834275008 606056605 /nfs/dbraw/zinc/05/66/05/606056605.db2.gz WNAAMOJYYLPLLP-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM O=C([O-])NCCOc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000834245217 606081168 /nfs/dbraw/zinc/08/11/68/606081168.db2.gz KGDMEJQOTMXEAH-UHFFFAOYSA-N -1 1 371.802 2.182 20 0 FEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834087486 606093954 /nfs/dbraw/zinc/09/39/54/606093954.db2.gz GQIDXPGPBVCIDP-KBPBESRZSA-N -1 1 373.457 2.168 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1cccc(Cl)c1 ZINC000823510900 606106175 /nfs/dbraw/zinc/10/61/75/606106175.db2.gz BXXNEIAASSPRSO-CYBMUJFWSA-N -1 1 355.789 2.133 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1cccc(Cl)c1 ZINC000823510900 606106176 /nfs/dbraw/zinc/10/61/76/606106176.db2.gz BXXNEIAASSPRSO-CYBMUJFWSA-N -1 1 355.789 2.133 20 0 FEADMM COc1cc(F)c([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000821720313 606131321 /nfs/dbraw/zinc/13/13/21/606131321.db2.gz QTVARKMTIAIZLY-MRVPVSSYSA-N -1 1 361.308 2.467 20 0 FEADMM COc1cc(F)c([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC000821720313 606131322 /nfs/dbraw/zinc/13/13/22/606131322.db2.gz QTVARKMTIAIZLY-MRVPVSSYSA-N -1 1 361.308 2.467 20 0 FEADMM Cn1cc(-c2nc(COC(=O)c3ccc(-c4nnn[n-]4)s3)cs2)cn1 ZINC000822605076 606134722 /nfs/dbraw/zinc/13/47/22/606134722.db2.gz XJGNSDMINZFZOV-UHFFFAOYSA-N -1 1 373.423 2.142 20 0 FEADMM Cn1cc(-c2nc(COC(=O)c3ccc(-c4nn[n-]n4)s3)cs2)cn1 ZINC000822605076 606134724 /nfs/dbraw/zinc/13/47/24/606134724.db2.gz XJGNSDMINZFZOV-UHFFFAOYSA-N -1 1 373.423 2.142 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2c(=O)[nH]1 ZINC000820512907 606135425 /nfs/dbraw/zinc/13/54/25/606135425.db2.gz PKHRNBDGINLTSK-MRVPVSSYSA-N -1 1 368.378 2.495 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2c(=O)[nH]1 ZINC000820512907 606135427 /nfs/dbraw/zinc/13/54/27/606135427.db2.gz PKHRNBDGINLTSK-MRVPVSSYSA-N -1 1 368.378 2.495 20 0 FEADMM O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823405361 606135884 /nfs/dbraw/zinc/13/58/84/606135884.db2.gz OOUJHVUNNDJCAD-UHFFFAOYSA-N -1 1 370.394 2.231 20 0 FEADMM O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823405361 606135886 /nfs/dbraw/zinc/13/58/86/606135886.db2.gz OOUJHVUNNDJCAD-UHFFFAOYSA-N -1 1 370.394 2.231 20 0 FEADMM CCCCC[C@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821050753 606137830 /nfs/dbraw/zinc/13/78/30/606137830.db2.gz UCCKGRXXNOQOQZ-JTQLQIEISA-N -1 1 351.432 2.170 20 0 FEADMM CCCCC[C@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821050753 606137831 /nfs/dbraw/zinc/13/78/31/606137831.db2.gz UCCKGRXXNOQOQZ-JTQLQIEISA-N -1 1 351.432 2.170 20 0 FEADMM CCCOc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821128656 606156748 /nfs/dbraw/zinc/15/67/48/606156748.db2.gz YRWKASDXHAENFA-LLVKDONJSA-N -1 1 370.417 2.272 20 0 FEADMM CCCOc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821128656 606156750 /nfs/dbraw/zinc/15/67/50/606156750.db2.gz YRWKASDXHAENFA-LLVKDONJSA-N -1 1 370.417 2.272 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCCc3ccccc32)n1 ZINC000822614665 606163287 /nfs/dbraw/zinc/16/32/87/606163287.db2.gz PHGRTWHELJHTKA-AWEZNQCLSA-N -1 1 352.402 2.189 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCCc3ccccc32)n1 ZINC000822614665 606163289 /nfs/dbraw/zinc/16/32/89/606163289.db2.gz PHGRTWHELJHTKA-AWEZNQCLSA-N -1 1 352.402 2.189 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3ccc(F)cc3)CCCC2)n1 ZINC000822608718 606166913 /nfs/dbraw/zinc/16/69/13/606166913.db2.gz HNENXVJTSYUGEF-UHFFFAOYSA-N -1 1 370.392 2.330 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3ccc(F)cc3)CCCC2)n1 ZINC000822608718 606166914 /nfs/dbraw/zinc/16/69/14/606166914.db2.gz HNENXVJTSYUGEF-UHFFFAOYSA-N -1 1 370.392 2.330 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@H]2CC23CCCC3)c(-c2nn[n-]n2)c1C ZINC000822549011 606167935 /nfs/dbraw/zinc/16/79/35/606167935.db2.gz RPDLBHZTYPESSU-LLVKDONJSA-N -1 1 359.386 2.139 20 0 FEADMM CCOc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000821417389 606194961 /nfs/dbraw/zinc/19/49/61/606194961.db2.gz MUAORSJMSQFJTF-UHFFFAOYSA-N -1 1 355.354 2.232 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000822530548 606237140 /nfs/dbraw/zinc/23/71/40/606237140.db2.gz GTWYAEKIXFPCPC-UHFFFAOYSA-N -1 1 364.818 2.327 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000822530548 606237141 /nfs/dbraw/zinc/23/71/41/606237141.db2.gz GTWYAEKIXFPCPC-UHFFFAOYSA-N -1 1 364.818 2.327 20 0 FEADMM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2 ZINC000822212773 606294395 /nfs/dbraw/zinc/29/43/95/606294395.db2.gz GVVKLPBNZYURHC-MRXNPFEDSA-N -1 1 351.366 2.131 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822224822 606295299 /nfs/dbraw/zinc/29/52/99/606295299.db2.gz BKEXEWOPVGZQGY-UHFFFAOYSA-N -1 1 351.366 2.482 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@@]12CCOc1ccccc12 ZINC000823290632 606295754 /nfs/dbraw/zinc/29/57/54/606295754.db2.gz ZQBJGIPAKGNESP-BFUOFWGJSA-N -1 1 363.377 2.251 20 0 FEADMM FC(F)(F)CN1CCC(CCNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000822718167 606434779 /nfs/dbraw/zinc/43/47/79/606434779.db2.gz AZYISCODZXUILP-UHFFFAOYSA-N -1 1 355.368 2.338 20 0 FEADMM FC(F)(F)CN1CCC(CCNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000822718167 606434780 /nfs/dbraw/zinc/43/47/80/606434780.db2.gz AZYISCODZXUILP-UHFFFAOYSA-N -1 1 355.368 2.338 20 0 FEADMM CN(Cc1nccn1CC(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821617882 606464766 /nfs/dbraw/zinc/46/47/66/606464766.db2.gz GUJBSXAMKJSXKB-UHFFFAOYSA-N -1 1 372.742 2.310 20 0 FEADMM CN(Cc1nccn1CC(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821617882 606464767 /nfs/dbraw/zinc/46/47/67/606464767.db2.gz GUJBSXAMKJSXKB-UHFFFAOYSA-N -1 1 372.742 2.310 20 0 FEADMM CN(Cc1nc2ccccc2n1C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821618125 606466482 /nfs/dbraw/zinc/46/64/82/606466482.db2.gz RKCBSFJZOHLLPD-UHFFFAOYSA-N -1 1 354.805 2.438 20 0 FEADMM CN(Cc1nc2ccccc2n1C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821618125 606466483 /nfs/dbraw/zinc/46/64/83/606466483.db2.gz RKCBSFJZOHLLPD-UHFFFAOYSA-N -1 1 354.805 2.438 20 0 FEADMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821616885 606497400 /nfs/dbraw/zinc/49/74/00/606497400.db2.gz MDQGAGOZFMFNMJ-UHFFFAOYSA-N -1 1 365.422 2.386 20 0 FEADMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821616885 606497402 /nfs/dbraw/zinc/49/74/02/606497402.db2.gz MDQGAGOZFMFNMJ-UHFFFAOYSA-N -1 1 365.422 2.386 20 0 FEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](c2ccccc2)C1 ZINC000821626893 606497437 /nfs/dbraw/zinc/49/74/37/606497437.db2.gz DFRRMVDKUUBKSX-CYBMUJFWSA-N -1 1 354.439 2.057 20 0 FEADMM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822226149 606511875 /nfs/dbraw/zinc/51/18/75/606511875.db2.gz FEBHPCCPICRBGV-UHFFFAOYSA-N -1 1 368.422 2.381 20 0 FEADMM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822226149 606511876 /nfs/dbraw/zinc/51/18/76/606511876.db2.gz FEBHPCCPICRBGV-UHFFFAOYSA-N -1 1 368.422 2.381 20 0 FEADMM COc1ccc(OCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821842090 606533284 /nfs/dbraw/zinc/53/32/84/606533284.db2.gz OECVTZKXZWVHIP-UHFFFAOYSA-N -1 1 359.411 2.136 20 0 FEADMM COc1ccc(OCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821842090 606533285 /nfs/dbraw/zinc/53/32/85/606533285.db2.gz OECVTZKXZWVHIP-UHFFFAOYSA-N -1 1 359.411 2.136 20 0 FEADMM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822000729 606558448 /nfs/dbraw/zinc/55/84/48/606558448.db2.gz WCOXBGYHFXKING-CYBMUJFWSA-N -1 1 368.466 2.275 20 0 FEADMM CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819922212 606562496 /nfs/dbraw/zinc/56/24/96/606562496.db2.gz GYUJYAPIYBELEM-UHFFFAOYSA-N -1 1 363.443 2.122 20 0 FEADMM CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819922212 606562498 /nfs/dbraw/zinc/56/24/98/606562498.db2.gz GYUJYAPIYBELEM-UHFFFAOYSA-N -1 1 363.443 2.122 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000822613707 606578142 /nfs/dbraw/zinc/57/81/42/606578142.db2.gz FVDIQFVJHGDIKK-IUCAKERBSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000822613707 606578143 /nfs/dbraw/zinc/57/81/43/606578143.db2.gz FVDIQFVJHGDIKK-IUCAKERBSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000822609255 606579833 /nfs/dbraw/zinc/57/98/33/606579833.db2.gz LGBJHQSYMJGJDM-AWEZNQCLSA-N -1 1 370.392 2.498 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000822609255 606579834 /nfs/dbraw/zinc/57/98/34/606579834.db2.gz LGBJHQSYMJGJDM-AWEZNQCLSA-N -1 1 370.392 2.498 20 0 FEADMM CC(C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)=C1CCCC1 ZINC000819883798 606635780 /nfs/dbraw/zinc/63/57/80/606635780.db2.gz NQMATBDKUIAKKK-UHFFFAOYSA-N -1 1 359.386 2.449 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000823478074 606641587 /nfs/dbraw/zinc/64/15/87/606641587.db2.gz FNZAAXGOFWSXAA-OCCSQVGLSA-N -1 1 370.438 2.052 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000823478074 606641588 /nfs/dbraw/zinc/64/15/88/606641588.db2.gz FNZAAXGOFWSXAA-OCCSQVGLSA-N -1 1 370.438 2.052 20 0 FEADMM O=C(CCCOCCc1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822958843 606647435 /nfs/dbraw/zinc/64/74/35/606647435.db2.gz JRJGFJOVPHRWGL-UHFFFAOYSA-N -1 1 367.409 2.344 20 0 FEADMM O=C(CCCOCCc1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822958843 606647436 /nfs/dbraw/zinc/64/74/36/606647436.db2.gz JRJGFJOVPHRWGL-UHFFFAOYSA-N -1 1 367.409 2.344 20 0 FEADMM COc1ccc(C2(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000821782187 606647957 /nfs/dbraw/zinc/64/79/57/606647957.db2.gz BCBJHXYGYJXMCW-UHFFFAOYSA-N -1 1 365.393 2.435 20 0 FEADMM COc1ccc(C2(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000821782187 606647958 /nfs/dbraw/zinc/64/79/58/606647958.db2.gz BCBJHXYGYJXMCW-UHFFFAOYSA-N -1 1 365.393 2.435 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820534640 606653418 /nfs/dbraw/zinc/65/34/18/606653418.db2.gz MCOMYPLWABCWRX-SNVBAGLBSA-N -1 1 359.773 2.426 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820534640 606653419 /nfs/dbraw/zinc/65/34/19/606653419.db2.gz MCOMYPLWABCWRX-SNVBAGLBSA-N -1 1 359.773 2.426 20 0 FEADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000823583086 606779269 /nfs/dbraw/zinc/77/92/69/606779269.db2.gz HJRYPBMAVSQFNL-UHFFFAOYSA-N -1 1 373.442 2.438 20 0 FEADMM COC(=O)c1cc(COC(=O)c2sccc2-c2nn[n-]n2)c(C)s1 ZINC000821666799 606825415 /nfs/dbraw/zinc/82/54/15/606825415.db2.gz GTHLGGCITCXXFR-UHFFFAOYSA-N -1 1 364.408 2.442 20 0 FEADMM C[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820814003 606845082 /nfs/dbraw/zinc/84/50/82/606845082.db2.gz PDJQNKLJIYWXRH-LLVKDONJSA-N -1 1 373.413 2.141 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NCC2(CC(C)C)CC2)cc1-c1nn[n-]n1 ZINC000821979822 606853677 /nfs/dbraw/zinc/85/36/77/606853677.db2.gz YSEXRDSGZPYXPK-UHFFFAOYSA-N -1 1 362.459 2.245 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000819921806 606912670 /nfs/dbraw/zinc/91/26/70/606912670.db2.gz ATCFIQOOCXDSQE-AWEZNQCLSA-N -1 1 359.430 2.052 20 0 FEADMM CCc1nnc(Oc2cccc(C(=O)OC)c2)c(-c2nnn[n-]2)c1CC ZINC000821548141 606915654 /nfs/dbraw/zinc/91/56/54/606915654.db2.gz INEDDZJYLJTLOB-UHFFFAOYSA-N -1 1 354.370 2.360 20 0 FEADMM CCc1nnc(Oc2cccc(C(=O)OC)c2)c(-c2nn[n-]n2)c1CC ZINC000821548141 606915656 /nfs/dbraw/zinc/91/56/56/606915656.db2.gz INEDDZJYLJTLOB-UHFFFAOYSA-N -1 1 354.370 2.360 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000822535464 606943576 /nfs/dbraw/zinc/94/35/76/606943576.db2.gz SDVWRDOMYRNKIU-SNVBAGLBSA-N -1 1 362.340 2.476 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000822535464 606943577 /nfs/dbraw/zinc/94/35/77/606943577.db2.gz SDVWRDOMYRNKIU-SNVBAGLBSA-N -1 1 362.340 2.476 20 0 FEADMM OC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(Br)c1 ZINC000823705957 607044438 /nfs/dbraw/zinc/04/44/38/607044438.db2.gz JKPKBGUAONFYRI-LBPRGKRZSA-N -1 1 361.203 2.170 20 0 FEADMM OC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(Br)c1 ZINC000823705957 607044439 /nfs/dbraw/zinc/04/44/39/607044439.db2.gz JKPKBGUAONFYRI-LBPRGKRZSA-N -1 1 361.203 2.170 20 0 FEADMM C[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820728259 607047314 /nfs/dbraw/zinc/04/73/14/607047314.db2.gz UKCNTLDRWQKNMP-DOMZBBRYSA-N -1 1 361.413 2.094 20 0 FEADMM C[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820728259 607047315 /nfs/dbraw/zinc/04/73/15/607047315.db2.gz UKCNTLDRWQKNMP-DOMZBBRYSA-N -1 1 361.413 2.094 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000823380071 607108728 /nfs/dbraw/zinc/10/87/28/607108728.db2.gz PAMJXLMRZVSKPH-UHFFFAOYSA-N -1 1 356.346 2.105 20 0 FEADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)cn1 ZINC000820214534 607121760 /nfs/dbraw/zinc/12/17/60/607121760.db2.gz HJHTYKRGKZYJCS-UHFFFAOYSA-N -1 1 367.822 2.098 20 0 FEADMM c1cnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(-c2nnn[n-]2)n1 ZINC000823808776 607175173 /nfs/dbraw/zinc/17/51/73/607175173.db2.gz FJZIRFUTUXEULF-NSHDSACASA-N -1 1 368.470 2.376 20 0 FEADMM c1cnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(-c2nn[n-]n2)n1 ZINC000823808776 607175174 /nfs/dbraw/zinc/17/51/74/607175174.db2.gz FJZIRFUTUXEULF-NSHDSACASA-N -1 1 368.470 2.376 20 0 FEADMM O[C@@H](COCc1ccccc1F)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826504371 607875047 /nfs/dbraw/zinc/87/50/47/607875047.db2.gz USKRRTBZLGHKTR-LBPRGKRZSA-N -1 1 362.336 2.101 20 0 FEADMM O[C@@H](COCc1ccccc1F)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826504371 607875048 /nfs/dbraw/zinc/87/50/48/607875048.db2.gz USKRRTBZLGHKTR-LBPRGKRZSA-N -1 1 362.336 2.101 20 0 FEADMM O[C@H](COc1cccc2[nH]ccc21)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826504939 607875140 /nfs/dbraw/zinc/87/51/40/607875140.db2.gz INDRUCQTYIJFCE-LLVKDONJSA-N -1 1 369.356 2.306 20 0 FEADMM O[C@H](COc1cccc2[nH]ccc21)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826504939 607875141 /nfs/dbraw/zinc/87/51/41/607875141.db2.gz INDRUCQTYIJFCE-LLVKDONJSA-N -1 1 369.356 2.306 20 0 FEADMM O[C@@H](COc1cccc2[nH]ccc21)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826504940 607875149 /nfs/dbraw/zinc/87/51/49/607875149.db2.gz INDRUCQTYIJFCE-NSHDSACASA-N -1 1 369.356 2.306 20 0 FEADMM O[C@@H](COc1cccc2[nH]ccc21)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826504940 607875150 /nfs/dbraw/zinc/87/51/50/607875150.db2.gz INDRUCQTYIJFCE-NSHDSACASA-N -1 1 369.356 2.306 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825212846 607904670 /nfs/dbraw/zinc/90/46/70/607904670.db2.gz SVDNKFJKOCWELH-RKDXNWHRSA-N -1 1 355.855 2.036 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825212846 607904671 /nfs/dbraw/zinc/90/46/71/607904671.db2.gz SVDNKFJKOCWELH-RKDXNWHRSA-N -1 1 355.855 2.036 20 0 FEADMM O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506776 607936812 /nfs/dbraw/zinc/93/68/12/607936812.db2.gz BNMLTWLPKMSTMZ-NXEZZACHSA-N -1 1 366.809 2.428 20 0 FEADMM O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826506776 607936813 /nfs/dbraw/zinc/93/68/13/607936813.db2.gz BNMLTWLPKMSTMZ-NXEZZACHSA-N -1 1 366.809 2.428 20 0 FEADMM CN(CCO)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000825941578 607971193 /nfs/dbraw/zinc/97/11/93/607971193.db2.gz KUIICPWCLAFOHE-UHFFFAOYSA-N -1 1 373.800 2.377 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3ccsc3C2)c(-c2nn[n-]n2)c1C ZINC000826341362 608045818 /nfs/dbraw/zinc/04/58/18/608045818.db2.gz FXBMVPBFCOGKEI-UHFFFAOYSA-N -1 1 358.427 2.135 20 0 FEADMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824968999 608106453 /nfs/dbraw/zinc/10/64/53/608106453.db2.gz RYYAHIHXEUIQNM-YGRLFVJLSA-N -1 1 352.402 2.045 20 0 FEADMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824968999 608106454 /nfs/dbraw/zinc/10/64/54/608106454.db2.gz RYYAHIHXEUIQNM-YGRLFVJLSA-N -1 1 352.402 2.045 20 0 FEADMM O=c1nc(Cn2ccnc2-c2nn[n-]n2)[nH]c2scc(-c3ccco3)c21 ZINC000826500757 608147516 /nfs/dbraw/zinc/14/75/16/608147516.db2.gz LGWLIBKDLPUPJC-UHFFFAOYSA-N -1 1 366.366 2.082 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ncoc2C)c1-c1nn[n-]n1 ZINC000826231602 608167761 /nfs/dbraw/zinc/16/77/61/608167761.db2.gz RCUWOMLSYARYFI-UHFFFAOYSA-N -1 1 371.426 2.087 20 0 FEADMM CN(C)C(=O)c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825845139 608175966 /nfs/dbraw/zinc/17/59/66/608175966.db2.gz DNRKZIRJOCEWRT-UHFFFAOYSA-N -1 1 350.791 2.471 20 0 FEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000824730552 608182388 /nfs/dbraw/zinc/18/23/88/608182388.db2.gz OLGQGKWNNAAYLV-SNVBAGLBSA-N -1 1 367.394 2.427 20 0 FEADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826189327 608247664 /nfs/dbraw/zinc/24/76/64/608247664.db2.gz SXYVAMAAWLEQRH-BMIGLBTASA-N -1 1 373.438 2.443 20 0 FEADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826189327 608247666 /nfs/dbraw/zinc/24/76/66/608247666.db2.gz SXYVAMAAWLEQRH-BMIGLBTASA-N -1 1 373.438 2.443 20 0 FEADMM Cc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)s1 ZINC000826336255 608318274 /nfs/dbraw/zinc/31/82/74/608318274.db2.gz SOBFVEDAZCMLLB-UHFFFAOYSA-N -1 1 371.382 2.076 20 0 FEADMM Cc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)s1 ZINC000826336255 608318275 /nfs/dbraw/zinc/31/82/75/608318275.db2.gz SOBFVEDAZCMLLB-UHFFFAOYSA-N -1 1 371.382 2.076 20 0 FEADMM O=C(CCCNc1ccc(-c2nnn[n-]2)nn1)Nc1ccc(Cl)cc1 ZINC000826406027 608401776 /nfs/dbraw/zinc/40/17/76/608401776.db2.gz FAWGQTFOJDPRON-UHFFFAOYSA-N -1 1 358.793 2.141 20 0 FEADMM O=C(CCCNc1ccc(-c2nn[n-]n2)nn1)Nc1ccc(Cl)cc1 ZINC000826406027 608401778 /nfs/dbraw/zinc/40/17/78/608401778.db2.gz FAWGQTFOJDPRON-UHFFFAOYSA-N -1 1 358.793 2.141 20 0 FEADMM Brc1cccc([C@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000823832913 608409430 /nfs/dbraw/zinc/40/94/30/608409430.db2.gz YPWDGQNBTXHAOU-ZYHUDNBSSA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000823832913 608409431 /nfs/dbraw/zinc/40/94/31/608409431.db2.gz YPWDGQNBTXHAOU-ZYHUDNBSSA-N -1 1 358.203 2.387 20 0 FEADMM FC(F)(F)COCc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826367639 608435853 /nfs/dbraw/zinc/43/58/53/608435853.db2.gz IBNFUKCDITWTMZ-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM FC(F)(F)COCc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826367639 608435855 /nfs/dbraw/zinc/43/58/55/608435855.db2.gz IBNFUKCDITWTMZ-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337656 608438480 /nfs/dbraw/zinc/43/84/80/608438480.db2.gz WDIGNAPQQLDWNR-GXSJLCMTSA-N -1 1 357.447 2.459 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337656 608438482 /nfs/dbraw/zinc/43/84/82/608438482.db2.gz WDIGNAPQQLDWNR-GXSJLCMTSA-N -1 1 357.447 2.459 20 0 FEADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826146295 608473155 /nfs/dbraw/zinc/47/31/55/608473155.db2.gz SWUBQAHORUWMJV-CHWSQXEVSA-N -1 1 370.413 2.104 20 0 FEADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826146295 608473157 /nfs/dbraw/zinc/47/31/57/608473157.db2.gz SWUBQAHORUWMJV-CHWSQXEVSA-N -1 1 370.413 2.104 20 0 FEADMM CN(CCN(C)c1snc(Cl)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825937958 608552436 /nfs/dbraw/zinc/55/24/36/608552436.db2.gz LMEVXTRQOSSITJ-UHFFFAOYSA-N -1 1 373.870 2.280 20 0 FEADMM CN(CCN(C)c1snc(Cl)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825937958 608552437 /nfs/dbraw/zinc/55/24/37/608552437.db2.gz LMEVXTRQOSSITJ-UHFFFAOYSA-N -1 1 373.870 2.280 20 0 FEADMM CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825559041 609139140 /nfs/dbraw/zinc/13/91/40/609139140.db2.gz AVXNMZMVLXXZJL-UHFFFAOYSA-N -1 1 370.344 2.138 20 0 FEADMM CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825559041 609139143 /nfs/dbraw/zinc/13/91/43/609139143.db2.gz AVXNMZMVLXXZJL-UHFFFAOYSA-N -1 1 370.344 2.138 20 0 FEADMM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824875318 609361112 /nfs/dbraw/zinc/36/11/12/609361112.db2.gz LJZYCGAENCLDEI-MNOVXSKESA-N -1 1 370.392 2.454 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C[C@H]2CCC[C@H]21 ZINC000826458591 609365260 /nfs/dbraw/zinc/36/52/60/609365260.db2.gz WQUWNPOOVYPKML-ZYHUDNBSSA-N -1 1 368.376 2.208 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](F)C2)c(-c2nn[n-]n2)c1C ZINC000826341612 609374638 /nfs/dbraw/zinc/37/46/38/609374638.db2.gz MBFAINOPWLCSBM-PEXQALLHSA-N -1 1 350.398 2.083 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC000826256554 609399355 /nfs/dbraw/zinc/39/93/55/609399355.db2.gz PEQPHKBOSYSCHA-UHFFFAOYSA-N -1 1 363.175 2.224 20 0 FEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)[C@H]2C ZINC000826212543 609408302 /nfs/dbraw/zinc/40/83/02/609408302.db2.gz UHBXTHWWSQWHPS-RYUDHWBXSA-N -1 1 364.409 2.418 20 0 FEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)[C@H]2C ZINC000826212543 609408305 /nfs/dbraw/zinc/40/83/05/609408305.db2.gz UHBXTHWWSQWHPS-RYUDHWBXSA-N -1 1 364.409 2.418 20 0 FEADMM CC(C)n1cnnc1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000824377422 609427081 /nfs/dbraw/zinc/42/70/81/609427081.db2.gz DKARYSGYMGHBRZ-UHFFFAOYSA-N -1 1 373.852 2.472 20 0 FEADMM CC(C)n1cnnc1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000824377422 609427083 /nfs/dbraw/zinc/42/70/83/609427083.db2.gz DKARYSGYMGHBRZ-UHFFFAOYSA-N -1 1 373.852 2.472 20 0 FEADMM Cc1onc(CC(=O)Nc2cnn(CC(C)C)c2C(C)C)c1-c1nnn[n-]1 ZINC000826349096 609469388 /nfs/dbraw/zinc/46/93/88/609469388.db2.gz SWHDFXGNDYIQFE-UHFFFAOYSA-N -1 1 372.433 2.320 20 0 FEADMM Cc1onc(CC(=O)Nc2cnn(CC(C)C)c2C(C)C)c1-c1nn[n-]n1 ZINC000826349096 609469390 /nfs/dbraw/zinc/46/93/90/609469390.db2.gz SWHDFXGNDYIQFE-UHFFFAOYSA-N -1 1 372.433 2.320 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H](F)Cc2ccccc2)C1)C(F)(F)F ZINC000810899133 674567218 /nfs/dbraw/zinc/56/72/18/674567218.db2.gz VFMVSBMIOBFUKT-KBPBESRZSA-N -1 1 360.351 2.484 20 0 FEADMM COCc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810904969 674567894 /nfs/dbraw/zinc/56/78/94/674567894.db2.gz LMICYDWUFZTXFG-CYBMUJFWSA-N -1 1 358.360 2.364 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000811835149 674632456 /nfs/dbraw/zinc/63/24/56/674632456.db2.gz NIOVIJYFRMFZTO-UHFFFAOYSA-N -1 1 358.419 2.409 20 0 FEADMM C[C@H](Cc1ccco1)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811857842 674633725 /nfs/dbraw/zinc/63/37/25/674633725.db2.gz OAWTYLDUKSDHAS-NEPJUHHUSA-N -1 1 361.364 2.311 20 0 FEADMM COC(=O)c1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nc1C ZINC000811855776 674633810 /nfs/dbraw/zinc/63/38/10/674633810.db2.gz DRJDQJXSLRCEHR-NSHDSACASA-N -1 1 359.348 2.072 20 0 FEADMM CO[C@@H](CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811888049 674636234 /nfs/dbraw/zinc/63/62/34/674636234.db2.gz FOLFVFFJBMIGIM-RYUDHWBXSA-N -1 1 367.412 2.148 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cnn(-c2ccccn2)c1 ZINC000561413218 674663628 /nfs/dbraw/zinc/66/36/28/674663628.db2.gz FUVHXQUJTYKPKL-UHFFFAOYSA-N -1 1 362.386 2.227 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccc(OC)cc1 ZINC000561604193 674683519 /nfs/dbraw/zinc/68/35/19/674683519.db2.gz RZILECQYDIZUQN-HNNXBMFYSA-N -1 1 353.396 2.098 20 0 FEADMM CC(C)OCCONC(=O)c1ccc(I)c([O-])c1 ZINC000812804743 674699551 /nfs/dbraw/zinc/69/95/51/674699551.db2.gz CNNYPJLYVVIXQT-UHFFFAOYSA-N -1 1 365.167 2.083 20 0 FEADMM CCCc1nc(=NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)s[n-]1 ZINC000562036737 674717293 /nfs/dbraw/zinc/71/72/93/674717293.db2.gz YUBWLPKWLNQURO-ZDUSSCGKSA-N -1 1 351.451 2.476 20 0 FEADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1COC1 ZINC000562781323 674806536 /nfs/dbraw/zinc/80/65/36/674806536.db2.gz IYOSLTIILVGIOO-UHFFFAOYSA-N -1 1 360.435 2.348 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2C[C@H]2C2CC2)ccc1[N-]S(C)(=O)=O ZINC000562848475 674816218 /nfs/dbraw/zinc/81/62/18/674816218.db2.gz ITUAQIJOSGYWAH-AAEUAGOBSA-N -1 1 353.444 2.234 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=S)NC3CCC3)c2)n1 ZINC000814202725 674825760 /nfs/dbraw/zinc/82/57/60/674825760.db2.gz PCJJVHVSJTXQFW-UHFFFAOYSA-N -1 1 359.455 2.165 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1nc(Br)ccc1F ZINC000814651671 674872882 /nfs/dbraw/zinc/87/28/82/674872882.db2.gz LOVYCMKIDUUZAP-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000563890326 674950762 /nfs/dbraw/zinc/95/07/62/674950762.db2.gz QZKBKWITYKEUEQ-QGZVFWFLSA-N -1 1 351.472 2.136 20 0 FEADMM [O-]c1cccnc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000564130106 674975838 /nfs/dbraw/zinc/97/58/38/674975838.db2.gz WNVZFOXMICQOQV-UHFFFAOYSA-N -1 1 357.439 2.217 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(F)cc1Cl ZINC000564347534 674999137 /nfs/dbraw/zinc/99/91/37/674999137.db2.gz JBEMWEWVOBWHPJ-UHFFFAOYSA-N -1 1 361.826 2.614 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cn2)CCC3)o1 ZINC000564489509 675027479 /nfs/dbraw/zinc/02/74/79/675027479.db2.gz QZYAKUPSGGCKBA-UHFFFAOYSA-N -1 1 363.439 2.492 20 0 FEADMM CC[C@@](O)(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1cccc(Cl)c1 ZINC000816498855 675060314 /nfs/dbraw/zinc/06/03/14/675060314.db2.gz RKIZNUFEWDWJIR-GTNSWQLSSA-N -1 1 365.817 2.432 20 0 FEADMM COC(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000011337403 669995491 /nfs/dbraw/zinc/99/54/91/669995491.db2.gz BGFYKURCAVFCSI-UHFFFAOYSA-N -1 1 363.391 2.126 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000024244204 670053548 /nfs/dbraw/zinc/05/35/48/670053548.db2.gz QDERSYADNSLAKP-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NOCc2ccccc2)o1 ZINC000031616617 670123091 /nfs/dbraw/zinc/12/30/91/670123091.db2.gz QHLPQGHJFCRBQO-UHFFFAOYSA-N -1 1 352.412 2.218 20 0 FEADMM O=S(=O)([N-]Cc1nccs1)c1cc(Br)cnc1Cl ZINC000041066552 670142430 /nfs/dbraw/zinc/14/24/30/670142430.db2.gz AAMCMWXZUQXULP-UHFFFAOYSA-N -1 1 368.665 2.433 20 0 FEADMM Cc1cc(=O)[n-]c(NN=C2C(=O)Nc3c2cc(F)cc3Br)n1 ZINC000045329688 670203071 /nfs/dbraw/zinc/20/30/71/670203071.db2.gz LXXIOUGXJKTMEY-UHFFFAOYSA-N -1 1 366.150 2.398 20 0 FEADMM CC(Nc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054501361 670337377 /nfs/dbraw/zinc/33/73/77/670337377.db2.gz IAGONURADIJANQ-UVTDQMKNSA-N -1 1 361.423 2.001 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1 ZINC000057119907 670366395 /nfs/dbraw/zinc/36/63/95/670366395.db2.gz BJNHSUZTTDJDSH-UHFFFAOYSA-N -1 1 359.359 2.380 20 0 FEADMM COC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000057466378 670369160 /nfs/dbraw/zinc/36/91/60/670369160.db2.gz DNMOXPAMNCFAGD-UHFFFAOYSA-N -1 1 363.391 2.126 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1F ZINC000060554563 670386949 /nfs/dbraw/zinc/38/69/49/670386949.db2.gz YERRQMRADGCUHI-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM CC(C)NC(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000062930899 670403873 /nfs/dbraw/zinc/40/38/73/670403873.db2.gz PREYDDGKKNGZBX-UHFFFAOYSA-N -1 1 359.757 2.260 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)N1CCSCC1)C(F)(F)F ZINC000817149186 675105530 /nfs/dbraw/zinc/10/55/30/675105530.db2.gz BRVNKPMQDMKGOA-GFCCVEGCSA-N -1 1 373.400 2.265 20 0 FEADMM Cn1c(CCNC(=O)C=Cc2ccc(Br)o2)n[n-]c1=S ZINC000067051339 670451898 /nfs/dbraw/zinc/45/18/98/670451898.db2.gz KLCMMBUJLXHMPE-HWKANZROSA-N -1 1 357.233 2.205 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)n[n-]c1=S ZINC000067050666 670451952 /nfs/dbraw/zinc/45/19/52/670451952.db2.gz RVUBWYYTRWVNAK-LLVKDONJSA-N -1 1 353.492 2.004 20 0 FEADMM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070621 670452460 /nfs/dbraw/zinc/45/24/60/670452460.db2.gz VQKRIRODSAGOKF-GFCCVEGCSA-N -1 1 365.503 2.319 20 0 FEADMM Cc1cccn2cc(CC(=O)NCCc3n[n-]c(=S)n3C(C)C)nc12 ZINC000067074560 670452503 /nfs/dbraw/zinc/45/25/03/670452503.db2.gz SVPGEQOTUFPGRA-UHFFFAOYSA-N -1 1 358.471 2.379 20 0 FEADMM CCn1c(CCNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)n[n-]c1=S ZINC000067076551 670452986 /nfs/dbraw/zinc/45/29/86/670452986.db2.gz ZFFLWKMCVDYWLO-SECBINFHSA-N -1 1 356.398 2.365 20 0 FEADMM Cn1c(CCNC(=O)CNc2cccc(C(F)(F)F)c2)n[n-]c1=S ZINC000067119501 670453751 /nfs/dbraw/zinc/45/37/51/670453751.db2.gz YHCSFUCPAUGMEK-UHFFFAOYSA-N -1 1 359.377 2.267 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)cc1 ZINC000073743790 670506763 /nfs/dbraw/zinc/50/67/63/670506763.db2.gz FUAVVUFXTDOPEU-UHFFFAOYSA-N -1 1 358.423 2.257 20 0 FEADMM COC(=O)[C@]1([N-]S(=O)(=O)Cc2ccc3ccccc3c2)CCSC1 ZINC000569172882 670520155 /nfs/dbraw/zinc/52/01/55/670520155.db2.gz ULFLQUVKULMXPV-KRWDZBQOSA-N -1 1 365.476 2.308 20 0 FEADMM O=C(Nc1cccc(CCC(F)(F)F)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000569278266 670536124 /nfs/dbraw/zinc/53/61/24/670536124.db2.gz YVQZPMACVTWJEY-UHFFFAOYSA-N -1 1 351.288 2.165 20 0 FEADMM C[C@@H]1CCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C[C@H]1C(=O)[O-] ZINC000565361651 675114851 /nfs/dbraw/zinc/11/48/51/675114851.db2.gz WBQSFURQALOPHA-IUODEOHRSA-N -1 1 351.422 2.140 20 0 FEADMM Cc1nccc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000817292799 675118057 /nfs/dbraw/zinc/11/80/57/675118057.db2.gz JIVKTDCBHWEPGE-AWEZNQCLSA-N -1 1 350.344 2.395 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000569745333 670606044 /nfs/dbraw/zinc/60/60/44/670606044.db2.gz UKSVKSQQFWJYLE-UHFFFAOYSA-N -1 1 350.400 2.055 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@]3(CCCOC3)C2)c(=O)[n-]1 ZINC000079990022 670613604 /nfs/dbraw/zinc/61/36/04/670613604.db2.gz IXGQRLTYLDSAMX-GOSISDBHSA-N -1 1 365.499 2.152 20 0 FEADMM CCn1c(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)n[n-]c1=S ZINC000080033424 670614243 /nfs/dbraw/zinc/61/42/43/670614243.db2.gz DBXTWIWOEBIWLW-UHFFFAOYSA-N -1 1 359.455 2.168 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)s1 ZINC000080041263 670614289 /nfs/dbraw/zinc/61/42/89/670614289.db2.gz PELQJHVSHWRJFX-ZDUSSCGKSA-N -1 1 353.394 2.018 20 0 FEADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000080716512 670628786 /nfs/dbraw/zinc/62/87/86/670628786.db2.gz URZLEJOJILRANQ-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000570427482 670712511 /nfs/dbraw/zinc/71/25/11/670712511.db2.gz MHQZSVROGDWISC-AWEZNQCLSA-N -1 1 361.427 2.257 20 0 FEADMM CC(C)OC(=O)CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000104127243 670790402 /nfs/dbraw/zinc/79/04/02/670790402.db2.gz QEYDWXFXGVMPCF-UHFFFAOYSA-N -1 1 368.846 2.329 20 0 FEADMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cnn([C@@H]2CCOC2)c1 ZINC000571349253 670860703 /nfs/dbraw/zinc/86/07/03/670860703.db2.gz UUMKPMBSTOHAIS-SNVBAGLBSA-N -1 1 369.830 2.234 20 0 FEADMM CC(C)Cn1c([O-])c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O ZINC000817570964 675148042 /nfs/dbraw/zinc/14/80/42/675148042.db2.gz LOYRXBKVLQOPJN-LLVKDONJSA-N -1 1 372.208 2.283 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2noc3ccccc32)o1 ZINC000571914120 670940311 /nfs/dbraw/zinc/94/03/11/670940311.db2.gz OADNEQXMJKQXNG-UHFFFAOYSA-N -1 1 350.352 2.076 20 0 FEADMM CC(C)(O)CCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817675079 675160331 /nfs/dbraw/zinc/16/03/31/675160331.db2.gz LJCNIXVUHWMMEO-GFCCVEGCSA-N -1 1 358.360 2.174 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NCC(=O)c1cccs1 ZINC000572410493 670998136 /nfs/dbraw/zinc/99/81/36/670998136.db2.gz DDQKCJYWDJQZPX-UHFFFAOYSA-N -1 1 359.379 2.273 20 0 FEADMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000572639007 671026140 /nfs/dbraw/zinc/02/61/40/671026140.db2.gz WXWMVZXIYZTVKJ-JTQLQIEISA-N -1 1 371.311 2.139 20 0 FEADMM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000574156552 671209202 /nfs/dbraw/zinc/20/92/02/671209202.db2.gz CRYGRHWRGYQLEY-OLZOCXBDSA-N -1 1 362.817 2.141 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCOc1ccc(Cl)cc1C ZINC000574319759 671226402 /nfs/dbraw/zinc/22/64/02/671226402.db2.gz KWRUDZFASFDQKG-UHFFFAOYSA-N -1 1 359.835 2.274 20 0 FEADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)CCc1scnc1C ZINC000575063244 671296111 /nfs/dbraw/zinc/29/61/11/671296111.db2.gz ODPOVMWZKIQQPN-UHFFFAOYSA-N -1 1 374.415 2.282 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1 ZINC000575738876 671316627 /nfs/dbraw/zinc/31/66/27/671316627.db2.gz WWABCZCNGJSBLE-UHFFFAOYSA-N -1 1 360.435 2.148 20 0 FEADMM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@H]1CN2CCC1CC2 ZINC000575747102 671317779 /nfs/dbraw/zinc/31/77/79/671317779.db2.gz VMNWVEVVCAKZJF-HNNXBMFYSA-N -1 1 360.845 2.398 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C ZINC000575926004 671331343 /nfs/dbraw/zinc/33/13/43/671331343.db2.gz HWWPQYGRANYGPP-JIMOISOXSA-N -1 1 350.415 2.032 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)[nH]n1 ZINC000566228846 675196261 /nfs/dbraw/zinc/19/62/61/675196261.db2.gz BCGRWORRDANDSN-UHFFFAOYSA-N -1 1 356.473 2.251 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccn1)c1ccc2ccccc2c1 ZINC000576855848 671399688 /nfs/dbraw/zinc/39/96/88/671399688.db2.gz ZJNBWLJIOCOEMW-KRWDZBQOSA-N -1 1 356.403 2.427 20 0 FEADMM O=C(NCCCS(=O)(=O)c1ccccc1)c1c(F)ccc([O-])c1F ZINC000577100186 671416602 /nfs/dbraw/zinc/41/66/02/671416602.db2.gz BOHPKVMWDSOJCP-UHFFFAOYSA-N -1 1 355.362 2.264 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2OC)o1 ZINC000609352774 675919903 /nfs/dbraw/zinc/91/99/03/675919903.db2.gz IMQJNUOHTHHZMN-UHFFFAOYSA-N -1 1 353.396 2.288 20 0 FEADMM C[C@H]1CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000577925043 671628725 /nfs/dbraw/zinc/62/87/25/671628725.db2.gz WBQQRACXJZDYLV-GZMMTYOYSA-N -1 1 351.255 2.186 20 0 FEADMM O=C(NC[C@H](O)C1CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000578368353 671660152 /nfs/dbraw/zinc/66/01/52/671660152.db2.gz MZBNAFJGPCTLCX-NSHDSACASA-N -1 1 351.200 2.204 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cnn1-c1ccccn1 ZINC000578677485 671681989 /nfs/dbraw/zinc/68/19/89/671681989.db2.gz VPPQSQPZRMXJGH-UHFFFAOYSA-N -1 1 372.332 2.118 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)Cc2ccsc2)n[n-]1 ZINC000579669334 671751769 /nfs/dbraw/zinc/75/17/69/671751769.db2.gz ACYKVNURXCABEG-GFCCVEGCSA-N -1 1 350.444 2.489 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)Cc2ccsc2)[n-]1 ZINC000579669334 671751770 /nfs/dbraw/zinc/75/17/70/671751770.db2.gz ACYKVNURXCABEG-GFCCVEGCSA-N -1 1 350.444 2.489 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)Cc2ccsc2)n1 ZINC000579669334 671751771 /nfs/dbraw/zinc/75/17/71/671751771.db2.gz ACYKVNURXCABEG-GFCCVEGCSA-N -1 1 350.444 2.489 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000579943976 671771961 /nfs/dbraw/zinc/77/19/61/671771961.db2.gz CZDMTORRZRQCMK-IJLUTSLNSA-N -1 1 350.440 2.208 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(CN3CCSCC3)cc2)C[C@H]1C(=O)[O-] ZINC000580311866 671797112 /nfs/dbraw/zinc/79/71/12/671797112.db2.gz VKNFIVGIBUELIU-WMLDXEAASA-N -1 1 362.495 2.418 20 0 FEADMM COc1cccc(C(F)(F)CNC(=O)c2c(C)[n-]c(=O)nc2SC)n1 ZINC000581063292 671860256 /nfs/dbraw/zinc/86/02/56/671860256.db2.gz BLDIOYASBQRZRN-UHFFFAOYSA-N -1 1 370.381 2.138 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)ccc1OC ZINC000610105788 675954359 /nfs/dbraw/zinc/95/43/59/675954359.db2.gz VNINUPWPBIQMGV-UHFFFAOYSA-N -1 1 364.423 2.349 20 0 FEADMM O=C(NC[C@]1(CCO)CCOC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000581619628 671918511 /nfs/dbraw/zinc/91/85/11/671918511.db2.gz DJVKPXPAQJGVBJ-KRWDZBQOSA-N -1 1 350.802 2.113 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1csc2ccccc12 ZINC000121468827 671950071 /nfs/dbraw/zinc/95/00/71/671950071.db2.gz YZAPGRUGMBVTPP-UHFFFAOYSA-N -1 1 354.391 2.340 20 0 FEADMM CCC(=O)N1CCC[C@@H](C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000121558051 671952306 /nfs/dbraw/zinc/95/23/06/671952306.db2.gz BNTANCOBNPBCEZ-SECBINFHSA-N -1 1 356.220 2.137 20 0 FEADMM CCC(CC)([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C(=O)OC ZINC000610268701 675963914 /nfs/dbraw/zinc/96/39/14/675963914.db2.gz RUBIBWUIBRQWDD-UHFFFAOYSA-N -1 1 366.439 2.493 20 0 FEADMM COc1ccccc1-c1nc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cs1 ZINC000124554469 671999194 /nfs/dbraw/zinc/99/91/94/671999194.db2.gz DMUQWVZKTNEXBE-JTQLQIEISA-N -1 1 358.427 2.208 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]2CCCCN12 ZINC000582654988 672022155 /nfs/dbraw/zinc/02/21/55/672022155.db2.gz YFQRWZBYYCVLEZ-JOYOIKCWSA-N -1 1 363.266 2.425 20 0 FEADMM Cc1sc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1Br ZINC000582661798 672022987 /nfs/dbraw/zinc/02/29/87/672022987.db2.gz DGHAOCCNYPMJGL-QMMMGPOBSA-N -1 1 356.249 2.352 20 0 FEADMM CC(C)(CO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000128333187 672047699 /nfs/dbraw/zinc/04/76/99/672047699.db2.gz FQIULNSYKUMMFH-UHFFFAOYSA-N -1 1 358.204 2.024 20 0 FEADMM CC(C)Oc1ncc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1Cl ZINC000129327012 672061022 /nfs/dbraw/zinc/06/10/22/672061022.db2.gz NRQGVIMKXNWSHW-SNVBAGLBSA-N -1 1 350.810 2.055 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(Cl)c(F)cc1Br ZINC000583125161 672065852 /nfs/dbraw/zinc/06/58/52/672065852.db2.gz PUIMWKQSUHWBFD-UHFFFAOYSA-N -1 1 360.574 2.174 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3F)C2)c(F)c1 ZINC000583560856 672106389 /nfs/dbraw/zinc/10/63/89/672106389.db2.gz VTDUFTAGPUXJNT-NSHDSACASA-N -1 1 371.384 2.365 20 0 FEADMM O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000584258630 672170461 /nfs/dbraw/zinc/17/04/61/672170461.db2.gz AQQOYLALJMTXCT-UHFFFAOYSA-N -1 1 373.887 2.009 20 0 FEADMM CCc1ccc(S(=O)(=O)N(CCN(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000152959515 672190702 /nfs/dbraw/zinc/19/07/02/672190702.db2.gz LLJFERYDGQZADF-UHFFFAOYSA-N -1 1 368.499 2.442 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC000153933657 672207114 /nfs/dbraw/zinc/20/71/14/672207114.db2.gz PKEICCCPXNHTTO-HNNXBMFYSA-N -1 1 363.332 2.429 20 0 FEADMM C[C@H](C(=O)[N-]S(=O)(=O)CCCF)N1CCC(Cc2ccccc2)CC1 ZINC000154046116 672209251 /nfs/dbraw/zinc/20/92/51/672209251.db2.gz QAWFTUDTAOYAPX-OAHLLOKOSA-N -1 1 370.490 2.135 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1C=CCCC1 ZINC000584751575 672211928 /nfs/dbraw/zinc/21/19/28/672211928.db2.gz ZVDPCPQFOHFOSF-SNVBAGLBSA-N -1 1 363.266 2.497 20 0 FEADMM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000159375501 672281127 /nfs/dbraw/zinc/28/11/27/672281127.db2.gz JVJBSXTUBWPWEJ-NSHDSACASA-N -1 1 361.341 2.124 20 0 FEADMM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000159374933 672281153 /nfs/dbraw/zinc/28/11/53/672281153.db2.gz JQHMDNLWYOYUOA-ZDUSSCGKSA-N -1 1 361.341 2.124 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c1Cl ZINC000160057387 672288429 /nfs/dbraw/zinc/28/84/29/672288429.db2.gz WDXFPCDJVHKVCS-UHFFFAOYSA-N -1 1 350.227 2.084 20 0 FEADMM O=C([N-]NC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(F)cc(F)cc1F ZINC000160730109 672293120 /nfs/dbraw/zinc/29/31/20/672293120.db2.gz PCAIPSGQHDBNLK-UHFFFAOYSA-N -1 1 371.702 2.157 20 0 FEADMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000162019138 672301124 /nfs/dbraw/zinc/30/11/24/672301124.db2.gz XRVZJGTZGKQWNR-UHFFFAOYSA-N -1 1 366.786 2.037 20 0 FEADMM CCCCC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC ZINC000164313522 672312366 /nfs/dbraw/zinc/31/23/66/672312366.db2.gz CSTFIXFFENXYCQ-OAHLLOKOSA-N -1 1 356.419 2.239 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc(-c3cccs3)o2)co1 ZINC000166614383 672319819 /nfs/dbraw/zinc/31/98/19/672319819.db2.gz XMCAKTLFJOOFDS-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM O=C(NCC[N-]C(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000176113404 672373344 /nfs/dbraw/zinc/37/33/44/672373344.db2.gz IOWCIOOPYYYIQK-UHFFFAOYSA-N -1 1 371.128 2.196 20 0 FEADMM COc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ncn(C)c3Cl)c21 ZINC000179998271 672407765 /nfs/dbraw/zinc/40/77/65/672407765.db2.gz QUABCGVCUZCUBF-UHFFFAOYSA-N -1 1 368.846 2.084 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nc3ccccc3o2)o1 ZINC000181786344 672430905 /nfs/dbraw/zinc/43/09/05/672430905.db2.gz SKMHYCJGQJAPCS-SECBINFHSA-N -1 1 350.352 2.247 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)C ZINC000588108446 672450211 /nfs/dbraw/zinc/45/02/11/672450211.db2.gz RWKKGCMOQXBFMX-JTQLQIEISA-N -1 1 373.324 2.200 20 0 FEADMM Cc1nc(SCc2ccc(S(=O)(=O)N3CCCC3)o2)[n-]c(=O)c1C ZINC000679009469 672460060 /nfs/dbraw/zinc/46/00/60/672460060.db2.gz MAANQNOUZIKLOS-UHFFFAOYSA-N -1 1 369.468 2.469 20 0 FEADMM CNC(=O)c1ccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1 ZINC000183270490 672464441 /nfs/dbraw/zinc/46/44/41/672464441.db2.gz XIFRHOBBWMATGC-UHFFFAOYSA-N -1 1 364.764 2.305 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccnc(SC)c2)cc1 ZINC000611231442 676026965 /nfs/dbraw/zinc/02/69/65/676026965.db2.gz HEGBXVGRHUKVRY-UHFFFAOYSA-N -1 1 368.436 2.156 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000184051135 672488763 /nfs/dbraw/zinc/48/87/63/672488763.db2.gz RXFVULNYTUVMPC-GFCCVEGCSA-N -1 1 369.874 2.481 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1 ZINC000589149952 672509641 /nfs/dbraw/zinc/50/96/41/672509641.db2.gz PFOZFVDCDAAUGH-UHFFFAOYSA-N -1 1 357.395 2.027 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)N(CCN(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000185112692 672519261 /nfs/dbraw/zinc/51/92/61/672519261.db2.gz ULZRCNWKRFFXDQ-UHFFFAOYSA-N -1 1 372.462 2.327 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)OC)c2)c1 ZINC000589435608 672525819 /nfs/dbraw/zinc/52/58/19/672525819.db2.gz GNIATDAATIOODK-LBPRGKRZSA-N -1 1 364.423 2.469 20 0 FEADMM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCc1nn[n-]n1 ZINC000679797575 672527997 /nfs/dbraw/zinc/52/79/97/672527997.db2.gz FEBZAKCAMJJUNH-UHFFFAOYSA-N -1 1 353.169 2.400 20 0 FEADMM O=C([N-]NC(=O)c1ccc(-c2nc[nH]n2)cc1)c1ccc(Cl)cc1F ZINC000186013986 672538879 /nfs/dbraw/zinc/53/88/79/672538879.db2.gz WKRJAKWPTPAMRZ-UHFFFAOYSA-N -1 1 359.748 2.339 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)CCc2ccccc2)c(F)c1 ZINC000680108496 672553064 /nfs/dbraw/zinc/55/30/64/672553064.db2.gz WZPFOBJUPQMGMX-ZDUSSCGKSA-N -1 1 371.405 2.245 20 0 FEADMM O=C([N-]CCCS(=O)(=O)CCCCc1ccccc1)C(F)(F)F ZINC000187449432 672569068 /nfs/dbraw/zinc/56/90/68/672569068.db2.gz LOHZJKYCIPEPSF-UHFFFAOYSA-N -1 1 351.390 2.493 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(F)ccc1I ZINC000590398539 672578355 /nfs/dbraw/zinc/57/83/55/672578355.db2.gz OXTQNZSDCBJTBY-UHFFFAOYSA-N -1 1 361.114 2.420 20 0 FEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)[nH]n1 ZINC000680500064 672580287 /nfs/dbraw/zinc/58/02/87/672580287.db2.gz SCFRKEICFSZPJV-UHFFFAOYSA-N -1 1 360.443 2.148 20 0 FEADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188286039 672587486 /nfs/dbraw/zinc/58/74/86/672587486.db2.gz CPXPAWYODGYWED-CYBMUJFWSA-N -1 1 357.439 2.184 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@]12CCCO2 ZINC000680977625 672618470 /nfs/dbraw/zinc/61/84/70/672618470.db2.gz STJTXZXIPSWNJM-UMVBOHGHSA-N -1 1 363.838 2.484 20 0 FEADMM COC(=O)c1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])on1 ZINC000611505031 676041353 /nfs/dbraw/zinc/04/13/53/676041353.db2.gz JXMJIISQXDXOQR-UHFFFAOYSA-N -1 1 355.144 2.490 20 0 FEADMM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000591490320 672686528 /nfs/dbraw/zinc/68/65/28/672686528.db2.gz HMIMDIPXRVCBQK-CQSZACIVSA-N -1 1 366.439 2.109 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2C)c(F)c1 ZINC000682418371 672754167 /nfs/dbraw/zinc/75/41/67/672754167.db2.gz OHZYXOWMEWLBEB-ZDUSSCGKSA-N -1 1 371.405 2.164 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000195059224 672774700 /nfs/dbraw/zinc/77/47/00/672774700.db2.gz IRLAUQWXQRGCSE-MRVPVSSYSA-N -1 1 366.374 2.499 20 0 FEADMM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2c(F)cc(F)cc2F)n1 ZINC000592656449 672823235 /nfs/dbraw/zinc/82/32/35/672823235.db2.gz SSYAKUHDPQHTNW-UHFFFAOYSA-N -1 1 356.304 2.289 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c([nH]c2=O)CCCC3)s1 ZINC000593282647 672902843 /nfs/dbraw/zinc/90/28/43/672902843.db2.gz BABFGDZCUMKODV-UHFFFAOYSA-N -1 1 368.436 2.315 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000684525792 672938743 /nfs/dbraw/zinc/93/87/43/672938743.db2.gz YDYREBHHAZFOAO-SJKOYZFVSA-N -1 1 355.818 2.464 20 0 FEADMM CCOc1cc(C(=O)N2CCC3(CNC(=O)C3)CC2)cc(Cl)c1[O-] ZINC000273848989 672954069 /nfs/dbraw/zinc/95/40/69/672954069.db2.gz KXRXFJNBYPVVOO-UHFFFAOYSA-N -1 1 352.818 2.187 20 0 FEADMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1ccccc1F ZINC000593650302 672970502 /nfs/dbraw/zinc/97/05/02/672970502.db2.gz IYLHXQBFBBXBID-OAHLLOKOSA-N -1 1 373.446 2.136 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc3N2)c1 ZINC000593730356 672984010 /nfs/dbraw/zinc/98/40/10/672984010.db2.gz RGAKIJDPRFUKLP-AWEZNQCLSA-N -1 1 364.423 2.162 20 0 FEADMM C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000685641010 673031679 /nfs/dbraw/zinc/03/16/79/673031679.db2.gz CUAWBNRMSSEPGX-VIFPVBQESA-N -1 1 365.282 2.434 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)C1CCCC1 ZINC000321463312 673040533 /nfs/dbraw/zinc/04/05/33/673040533.db2.gz YYROBLLYTLAWBA-UHFFFAOYSA-N -1 1 360.501 2.250 20 0 FEADMM NC(=O)Cc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000685878530 673051042 /nfs/dbraw/zinc/05/10/42/673051042.db2.gz BEYYVWDZPFVFQO-UHFFFAOYSA-N -1 1 363.211 2.113 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc(C(=O)[O-])c1C ZINC000685902879 673053549 /nfs/dbraw/zinc/05/35/49/673053549.db2.gz JEFJHXZFYUYFAI-UHFFFAOYSA-N -1 1 361.379 2.384 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N(CC(=O)[O-])CC(C)C)N(C)C)c1 ZINC000327460604 673060185 /nfs/dbraw/zinc/06/01/85/673060185.db2.gz ZQIXOOCVNNOGLH-MRXNPFEDSA-N -1 1 351.447 2.050 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1F ZINC000594454007 673074399 /nfs/dbraw/zinc/07/43/99/673074399.db2.gz RCTMBRWOZHAOQF-JTQLQIEISA-N -1 1 365.810 2.113 20 0 FEADMM COCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594461875 673076132 /nfs/dbraw/zinc/07/61/32/673076132.db2.gz GETYXKWZUGQQHX-UHFFFAOYSA-N -1 1 367.826 2.217 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)CCCCO)c1F ZINC000594462629 673076183 /nfs/dbraw/zinc/07/61/83/673076183.db2.gz DUIWCMOLKZXARH-SECBINFHSA-N -1 1 367.826 2.095 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CS[C@H](C)C2)c1F ZINC000594462761 673076712 /nfs/dbraw/zinc/07/67/12/673076712.db2.gz GYTIMPFDQYSQSX-APPZFPTMSA-N -1 1 367.851 2.438 20 0 FEADMM CC(C)COc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1Cl ZINC000726865360 673144370 /nfs/dbraw/zinc/14/43/70/673144370.db2.gz AIHTYSORELDWMB-UHFFFAOYSA-N -1 1 365.817 2.254 20 0 FEADMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Cl)cc1Cl ZINC000726865859 673144408 /nfs/dbraw/zinc/14/44/08/673144408.db2.gz IXPXVEHFALJRPB-SECBINFHSA-N -1 1 356.209 2.111 20 0 FEADMM Cc1cc(C)n(CCOC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000727045916 673151705 /nfs/dbraw/zinc/15/17/05/673151705.db2.gz XLDQUQDYGYDNFA-UHFFFAOYSA-N -1 1 369.443 2.027 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1)C1CC1 ZINC000594823299 673153095 /nfs/dbraw/zinc/15/30/95/673153095.db2.gz UCSQGNHWHKQARI-HOTGVXAUSA-N -1 1 369.483 2.414 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1C)c1cccc(OC)c1 ZINC000594823523 673153644 /nfs/dbraw/zinc/15/36/44/673153644.db2.gz WIHSFMTYMSBZFP-ZDUSSCGKSA-N -1 1 355.437 2.258 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)c(F)c1 ZINC000594858536 673167386 /nfs/dbraw/zinc/16/73/86/673167386.db2.gz SJPCKYNDOQMEKA-ZDUSSCGKSA-N -1 1 351.346 2.326 20 0 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ZINC000595324160 673224856 /nfs/dbraw/zinc/22/48/56/673224856.db2.gz QWGWJIHUBPZFBJ-IIAWOOMASA-N -1 1 361.419 2.239 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)cc1C ZINC000595333020 673226798 /nfs/dbraw/zinc/22/67/98/673226798.db2.gz IKHGNKOZIYGVNM-UHFFFAOYSA-N -1 1 352.412 2.026 20 0 FEADMM O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1cccc2cn[nH]c21 ZINC000729204235 673228067 /nfs/dbraw/zinc/22/80/67/673228067.db2.gz LQKVNLSFIKWCBV-UHFFFAOYSA-N -1 1 352.375 2.230 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](OC)C2CCC2)c1 ZINC000613206569 676117206 /nfs/dbraw/zinc/11/72/06/676117206.db2.gz LPZWFGTXRARONW-MRXNPFEDSA-N -1 1 370.471 2.176 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cscn2)c1 ZINC000613205319 676117320 /nfs/dbraw/zinc/11/73/20/676117320.db2.gz BHWGOWIBZMTJEB-UHFFFAOYSA-N -1 1 369.468 2.060 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OC)c2C)o1 ZINC000595391788 673240457 /nfs/dbraw/zinc/24/04/57/673240457.db2.gz BFZOTHSQMCDWNW-UHFFFAOYSA-N -1 1 353.396 2.252 20 0 FEADMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2cccc(F)c2)CCOCC1 ZINC000595400431 673243015 /nfs/dbraw/zinc/24/30/15/673243015.db2.gz FMTZQIJBRADRBY-UHFFFAOYSA-N -1 1 373.446 2.136 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCO3)o1 ZINC000595414179 673246976 /nfs/dbraw/zinc/24/69/76/673246976.db2.gz IXZCNVYKFPRZTA-NSHDSACASA-N -1 1 365.407 2.431 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(Cl)cc2)o1 ZINC000462575742 673264418 /nfs/dbraw/zinc/26/44/18/673264418.db2.gz PNXCVJUPEAVMPX-SNVBAGLBSA-N -1 1 373.814 2.465 20 0 FEADMM CCc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1CC ZINC000486086952 673323798 /nfs/dbraw/zinc/32/37/98/673323798.db2.gz JDHNVGWHIMLBND-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccc(F)c(C)c1 ZINC000613441334 676129273 /nfs/dbraw/zinc/12/92/73/676129273.db2.gz WZZAVZSZOZRZPN-CQSZACIVSA-N -1 1 369.418 2.173 20 0 FEADMM COc1cc(O)cc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000509539547 673343076 /nfs/dbraw/zinc/34/30/76/673343076.db2.gz NURVIRFCOSGTEM-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM O=C(NCc1nn[n-]n1)c1ccsc1NC(=O)c1ccccc1Cl ZINC000732157629 673355641 /nfs/dbraw/zinc/35/56/41/673355641.db2.gz BZSRTZPBLSKQIN-UHFFFAOYSA-N -1 1 362.802 2.097 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1 ZINC000536140188 673362098 /nfs/dbraw/zinc/36/20/98/673362098.db2.gz KHCPOMCJWQOFDZ-UHFFFAOYSA-N -1 1 361.370 2.482 20 0 FEADMM COc1ccc([C@H](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000537504865 673392190 /nfs/dbraw/zinc/39/21/90/673392190.db2.gz XDZZTLBSUYKGPE-LLVKDONJSA-N -1 1 364.423 2.181 20 0 FEADMM CCOC(=O)c1cc(-c2ccc(OC)c([N-]S(=O)(=O)CC)c2)[nH]n1 ZINC000596646181 673400628 /nfs/dbraw/zinc/40/06/28/673400628.db2.gz OULBYTUPTUKUTQ-UHFFFAOYSA-N -1 1 353.400 2.024 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000538950483 673467952 /nfs/dbraw/zinc/46/79/52/673467952.db2.gz VBCFDAKWUTUCLR-VXGBXAGGSA-N -1 1 371.459 2.003 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc1Cl ZINC000539235383 673480183 /nfs/dbraw/zinc/48/01/83/673480183.db2.gz QFGIXSMENFTLOM-UHFFFAOYSA-N -1 1 364.814 2.424 20 0 FEADMM O=C(c1cnn(-c2ccccc2Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539326098 673484179 /nfs/dbraw/zinc/48/41/79/673484179.db2.gz PZOSLTACNSQVNC-NSHDSACASA-N -1 1 357.805 2.059 20 0 FEADMM COC(=O)CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCOCC1 ZINC000539628066 673499527 /nfs/dbraw/zinc/49/95/27/673499527.db2.gz XMFCDMXNEXCVIW-UHFFFAOYSA-N -1 1 361.316 2.205 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)[nH]n1 ZINC000539856751 673510253 /nfs/dbraw/zinc/51/02/53/673510253.db2.gz ZKCQQJUBWSEHLU-JTQLQIEISA-N -1 1 352.416 2.296 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737306749 673559203 /nfs/dbraw/zinc/55/92/03/673559203.db2.gz RTYBXMLYLNVGGZ-UHFFFAOYSA-N -1 1 350.220 2.290 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)c1ccc(C)o1 ZINC000542977609 673618926 /nfs/dbraw/zinc/61/89/26/673618926.db2.gz KGQNDNFPEAYQGR-AWEZNQCLSA-N -1 1 371.386 2.180 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)c1F ZINC000599250632 673648536 /nfs/dbraw/zinc/64/85/36/673648536.db2.gz CGLCVIMWOHWNDO-JTQLQIEISA-N -1 1 370.377 2.056 20 0 FEADMM CCc1ccnc(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)c1 ZINC000599298468 673655586 /nfs/dbraw/zinc/65/55/86/673655586.db2.gz YDPMFXKSHYLIHV-UHFFFAOYSA-N -1 1 370.377 2.187 20 0 FEADMM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OC ZINC000599320338 673658446 /nfs/dbraw/zinc/65/84/46/673658446.db2.gz QNRRRBPMENJNNU-SKDRFNHKSA-N -1 1 365.398 2.091 20 0 FEADMM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599324437 673659111 /nfs/dbraw/zinc/65/91/11/673659111.db2.gz RCQUFKRJPZBKIL-UHFFFAOYSA-N -1 1 365.398 2.235 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C)cn2)cc1C ZINC000599412816 673671933 /nfs/dbraw/zinc/67/19/33/673671933.db2.gz OIYHPHDWUTXKHY-UHFFFAOYSA-N -1 1 366.439 2.334 20 0 FEADMM CC(C)(C)n1ccnc1SCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000614387726 676173295 /nfs/dbraw/zinc/17/32/95/676173295.db2.gz TURBPNSTMPTAIB-LLVKDONJSA-N -1 1 365.459 2.225 20 0 FEADMM CC1(C)COCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000614430552 676174226 /nfs/dbraw/zinc/17/42/26/676174226.db2.gz AGTUBKPRJOCVLS-UHFFFAOYSA-N -1 1 351.200 2.499 20 0 FEADMM COc1cc2[n-]cc(C(=O)N(C)CCCSC)c(=O)c2c(OC)c1 ZINC000599893959 673726650 /nfs/dbraw/zinc/72/66/50/673726650.db2.gz KPXDWAYYDUSOSC-UHFFFAOYSA-N -1 1 350.440 2.370 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CC1 ZINC000544746150 673730255 /nfs/dbraw/zinc/73/02/55/673730255.db2.gz ITKJDPLKEOSZMY-SNVBAGLBSA-N -1 1 357.801 2.437 20 0 FEADMM COc1cc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)ccc1F ZINC000544805067 673733487 /nfs/dbraw/zinc/73/34/87/673733487.db2.gz BHDSLNZATOCFMJ-UHFFFAOYSA-N -1 1 369.399 2.424 20 0 FEADMM COC(=O)[C@@H](CC(C)C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000744157749 673784853 /nfs/dbraw/zinc/78/48/53/673784853.db2.gz 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ZINC000547545417 673860984 /nfs/dbraw/zinc/86/09/84/673860984.db2.gz NEFUIAPLHOOQOR-UHFFFAOYSA-N -1 1 365.298 2.105 20 0 FEADMM CCO[C@H]1C[C@](NC(=O)Cc2ccc([O-])c(Cl)c2)(C(=O)OC)C1(C)C ZINC000601513010 673874579 /nfs/dbraw/zinc/87/45/79/673874579.db2.gz DZWFJVNNZDUEPM-KSSFIOAISA-N -1 1 369.845 2.451 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCn2cnc3ccccc32)c(F)c1 ZINC000601529873 673878319 /nfs/dbraw/zinc/87/83/19/673878319.db2.gz XQYBRBJCHPUUGP-UHFFFAOYSA-N -1 1 367.377 2.302 20 0 FEADMM CN1C(=O)C[C@@H](NC(=O)c2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000547653897 673878383 /nfs/dbraw/zinc/87/83/83/673878383.db2.gz UMUHFYMLFVZDKB-WBMJQRKESA-N -1 1 363.776 2.282 20 0 FEADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000547876165 673895994 /nfs/dbraw/zinc/89/59/94/673895994.db2.gz UVARYFCPQKVENA-UHFFFAOYSA-N -1 1 355.803 2.433 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC2CCN(CC(F)(F)F)CC2)sc1C ZINC000548370947 673953950 /nfs/dbraw/zinc/95/39/50/673953950.db2.gz SPSNOWRPTKVVIV-UHFFFAOYSA-N -1 1 371.450 2.313 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c(C)o1 ZINC000548521694 673964901 /nfs/dbraw/zinc/96/49/01/673964901.db2.gz RKURCHZENUCOOS-UHFFFAOYSA-N -1 1 353.352 2.182 20 0 FEADMM CCCn1c(C)nnc1CS(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000567012846 675260080 /nfs/dbraw/zinc/26/00/80/675260080.db2.gz DHYGNKHCAYDSTN-UHFFFAOYSA-N -1 1 360.443 2.064 20 0 FEADMM CCCn1c(C)nnc1CS(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000567012846 675260082 /nfs/dbraw/zinc/26/00/82/675260082.db2.gz DHYGNKHCAYDSTN-UHFFFAOYSA-N -1 1 360.443 2.064 20 0 FEADMM O=C(CSCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000567144996 675270352 /nfs/dbraw/zinc/27/03/52/675270352.db2.gz XUAOWUZPHMTYBQ-UHFFFAOYSA-N -1 1 361.423 2.097 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](CC(C)C)C(=O)[O-])CC2)c1 ZINC000567279882 675281061 /nfs/dbraw/zinc/28/10/61/675281061.db2.gz FJAAYBOTSCZIQY-MRXNPFEDSA-N -1 1 368.499 2.109 20 0 FEADMM O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1cc(=O)n2[n-]cnc2n1 ZINC000568475618 675376571 /nfs/dbraw/zinc/37/65/71/675376571.db2.gz CSYHKRGBTGGHEM-AWEZNQCLSA-N -1 1 361.764 2.091 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H](C)C3(S(C)(=O)=O)CC3)nc2)[n-]c(=O)c1C ZINC000568780393 675400110 /nfs/dbraw/zinc/40/01/10/675400110.db2.gz MTPXVCBYCGMIBV-LBPRGKRZSA-N -1 1 362.455 2.239 20 0 FEADMM Cn1ccc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)n1 ZINC000568923915 675410418 /nfs/dbraw/zinc/41/04/18/675410418.db2.gz OAYORRBVHLHXNV-UHFFFAOYSA-N -1 1 361.199 2.366 20 0 FEADMM Cc1cc(OCC(=O)Nc2ncc(-c3nnn[n-]3)s2)ccc1Cl ZINC000822210813 675473020 /nfs/dbraw/zinc/47/30/20/675473020.db2.gz RXMYTIYFTHWSDV-UHFFFAOYSA-N -1 1 350.791 2.303 20 0 FEADMM Cc1cc(OCC(=O)Nc2ncc(-c3nn[n-]n3)s2)ccc1Cl ZINC000822210813 675473022 /nfs/dbraw/zinc/47/30/22/675473022.db2.gz RXMYTIYFTHWSDV-UHFFFAOYSA-N -1 1 350.791 2.303 20 0 FEADMM CCc1nnc([N-]C(=O)c2csc(I)n2)s1 ZINC000823110643 675529772 /nfs/dbraw/zinc/52/97/72/675529772.db2.gz AXCBJKHJESNFAZ-UHFFFAOYSA-N -1 1 366.209 2.414 20 0 FEADMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C(C)(C)O1 ZINC000656952898 677884238 /nfs/dbraw/zinc/88/42/38/677884238.db2.gz IEMZYSQDZCGOLV-SNVBAGLBSA-N -1 1 363.277 2.469 20 0 FEADMM O=C(OCCCO)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000824408813 675600460 /nfs/dbraw/zinc/60/04/60/675600460.db2.gz SRURZYCBLGBFRO-UHFFFAOYSA-N -1 1 353.371 2.166 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cccc1N(C)C ZINC000826242963 675685329 /nfs/dbraw/zinc/68/53/29/675685329.db2.gz NWFJIAFJALEMLZ-UHFFFAOYSA-N -1 1 358.427 2.042 20 0 FEADMM Cc1c(C(=O)Nc2nc(Br)ccc2[O-])nn2c1OCCC2 ZINC000827148365 675733940 /nfs/dbraw/zinc/73/39/40/675733940.db2.gz HMVBACKIGAGEIQ-UHFFFAOYSA-N -1 1 353.176 2.089 20 0 FEADMM Cc1ccnc(C2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)n1 ZINC000828372943 675816038 /nfs/dbraw/zinc/81/60/38/675816038.db2.gz NOIPYMWHXJJVOD-UHFFFAOYSA-N -1 1 354.439 2.136 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(F)cc(Br)c1 ZINC000605532341 675818234 /nfs/dbraw/zinc/81/82/34/675818234.db2.gz 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676354965 /nfs/dbraw/zinc/35/49/65/676354965.db2.gz WJKIBWRFYPDDSI-UHFFFAOYSA-N -1 1 362.411 2.371 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)[nH]nc1C(F)(F)F ZINC000677232816 679668248 /nfs/dbraw/zinc/66/82/48/679668248.db2.gz GKPJNNLGYUKKHN-UHFFFAOYSA-N -1 1 351.354 2.390 20 0 FEADMM C/C=C\C[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)OCC ZINC000619003648 676359879 /nfs/dbraw/zinc/35/98/79/676359879.db2.gz KNXLHBIXITYOEZ-RYWCDNDXSA-N -1 1 363.382 2.150 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)o1 ZINC000619096150 676363365 /nfs/dbraw/zinc/36/33/65/676363365.db2.gz INFZLEYTZWCMAJ-STQMWFEESA-N -1 1 370.471 2.044 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)c(F)c1 ZINC000619503149 676382379 /nfs/dbraw/zinc/38/23/79/676382379.db2.gz DBMNWYQOASWBMA-JTQLQIEISA-N -1 1 365.398 2.372 20 0 FEADMM C[C@H](O)C1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000620071834 676405599 /nfs/dbraw/zinc/40/55/99/676405599.db2.gz PMMJZHPBFOWEIH-ZDUSSCGKSA-N -1 1 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2.161 20 0 FEADMM C[C@@H]1CN(c2nc(C3CCC3)ns2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001041876162 680514914 /nfs/dbraw/zinc/51/49/14/680514914.db2.gz YOHDRNXQCCCJQK-ZYHUDNBSSA-N -1 1 359.455 2.161 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000836952007 680533699 /nfs/dbraw/zinc/53/36/99/680533699.db2.gz PCUUBWSCLMYMSZ-OAHLLOKOSA-N -1 1 361.829 2.334 20 0 FEADMM CC[C@H](C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)C(=O)OC ZINC000836953945 680534188 /nfs/dbraw/zinc/53/41/88/680534188.db2.gz RYYPKGPHSJAJBM-GFCCVEGCSA-N -1 1 360.332 2.311 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1ccc(F)s1 ZINC001003731216 680540123 /nfs/dbraw/zinc/54/01/23/680540123.db2.gz FBPLRUJZWLUYDQ-MXWKQRLJSA-N -1 1 361.398 2.163 20 0 FEADMM CCC[C@@H](NC(=O)c1sc(N2CCCC2)nc1Cl)c1nn[n-]n1 ZINC000758292957 680568425 /nfs/dbraw/zinc/56/84/25/680568425.db2.gz PHSBSODHPHDLPE-MRVPVSSYSA-N -1 1 355.855 2.181 20 0 FEADMM Cc1csc2ncc(C(=O)Nc3ccc4nc([S-])[nH]c4c3)c(=O)n12 ZINC000758619140 680597089 /nfs/dbraw/zinc/59/70/89/680597089.db2.gz GRLHMLXEFSROFK-UHFFFAOYSA-N -1 1 357.420 2.482 20 0 FEADMM Cc1scc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)c1C ZINC000988212109 680611495 /nfs/dbraw/zinc/61/14/95/680611495.db2.gz JWPHYRICAIRJPV-RISCZKNCSA-N -1 1 359.451 2.499 20 0 FEADMM O=S(=O)([N-]CC[C@H](O)c1ccccc1)c1ccc(Br)o1 ZINC000759044658 680623201 /nfs/dbraw/zinc/62/32/01/680623201.db2.gz BKNGGUJXEVDRPP-NSHDSACASA-N -1 1 360.229 2.444 20 0 FEADMM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000759046413 680623283 /nfs/dbraw/zinc/62/32/83/680623283.db2.gz SIDLMPCHLAMVAH-ZYHUDNBSSA-N -1 1 374.256 2.485 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)c1ccccc1F)c1ccc(Br)o1 ZINC000759046607 680623374 /nfs/dbraw/zinc/62/33/74/680623374.db2.gz BNPXLFDGPJCYOQ-SNVBAGLBSA-N -1 1 364.192 2.193 20 0 FEADMM CCN1CCC(NS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000759094771 680626354 /nfs/dbraw/zinc/62/63/54/680626354.db2.gz MNSXQLYZYIXMGM-UHFFFAOYSA-N -1 1 360.863 2.109 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OCC)n[nH]1 ZINC000760321867 680682841 /nfs/dbraw/zinc/68/28/41/680682841.db2.gz JVEKLJGSASTYBN-SECBINFHSA-N -1 1 369.447 2.322 20 0 FEADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cn1 ZINC000841504528 680888533 /nfs/dbraw/zinc/88/85/33/680888533.db2.gz XJMUQHBZDNBIJQ-UHFFFAOYSA-N -1 1 361.423 2.406 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1[C@@H](O)C(F)(F)F)C1CC1 ZINC000842589613 680953824 /nfs/dbraw/zinc/95/38/24/680953824.db2.gz UFUVIRXHLVRPML-QWHCGFSZSA-N -1 1 353.362 2.449 20 0 FEADMM O=C([N-]CCCn1nnc(-c2cccc(C(F)(F)F)c2)n1)C(F)(F)F ZINC000768643448 680953847 /nfs/dbraw/zinc/95/38/47/680953847.db2.gz KVNXFTGDTXPMKN-UHFFFAOYSA-N -1 1 367.253 2.428 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccnc3F)cc3c2N1CCC3 ZINC000842825220 680969795 /nfs/dbraw/zinc/96/97/95/680969795.db2.gz NSKZOPPQEGQZOH-UHFFFAOYSA-N -1 1 361.398 2.247 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCCc2ccc(F)c(F)c2)CCC1 ZINC000843015323 680981887 /nfs/dbraw/zinc/98/18/87/680981887.db2.gz FYNZBGFQKGAHIP-UHFFFAOYSA-N -1 1 374.453 2.218 20 0 FEADMM CC[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccc(F)cc1 ZINC000843017219 680982501 /nfs/dbraw/zinc/98/25/01/680982501.db2.gz ZRCJNXGVXBOZML-HNNXBMFYSA-N -1 1 356.463 2.250 20 0 FEADMM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019475 680983100 /nfs/dbraw/zinc/98/31/00/680983100.db2.gz QWMIUCJEMXYLSL-UHFFFAOYSA-N -1 1 359.517 2.119 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NCc2ccon2)c1)OCC(F)(F)F ZINC000769943745 681001339 /nfs/dbraw/zinc/00/13/39/681001339.db2.gz XEZOGXKYOOCDAS-UHFFFAOYSA-N -1 1 359.260 2.421 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)CCSC)CC2)n1 ZINC000770672564 681023272 /nfs/dbraw/zinc/02/32/72/681023272.db2.gz BSBCGCCCQGYAEQ-NSHDSACASA-N -1 1 369.491 2.012 20 0 FEADMM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC000912541138 685395000 /nfs/dbraw/zinc/39/50/00/685395000.db2.gz FFALQVCSKOWVTN-CQSZACIVSA-N -1 1 365.455 2.276 20 0 FEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2s1 ZINC000912551186 685396577 /nfs/dbraw/zinc/39/65/77/685396577.db2.gz YFWPABMGHFOZDP-VIFPVBQESA-N -1 1 365.436 2.451 20 0 FEADMM COC[C@@](C)(O)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000771227605 681047639 /nfs/dbraw/zinc/04/76/39/681047639.db2.gz FGGRGEPLJSNRJK-CYBMUJFWSA-N -1 1 359.176 2.067 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000771675496 681065913 /nfs/dbraw/zinc/06/59/13/681065913.db2.gz XXKVKRMLSDMEND-RNCFNFMXSA-N -1 1 351.403 2.204 20 0 FEADMM CC(C)[C@H]1C[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000772485922 681099728 /nfs/dbraw/zinc/09/97/28/681099728.db2.gz APQKQRNSLFNAMY-CHWSQXEVSA-N -1 1 355.337 2.380 20 0 FEADMM O=C(OC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)c([O-])c1 ZINC000845136527 681106113 /nfs/dbraw/zinc/10/61/13/681106113.db2.gz FBRHYOAQJSYWEV-SNVBAGLBSA-N -1 1 356.172 2.295 20 0 FEADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000773158615 681128307 /nfs/dbraw/zinc/12/83/07/681128307.db2.gz IRVWWYNYMVMCHU-ZYHUDNBSSA-N -1 1 367.862 2.246 20 0 FEADMM CC(C)(C)c1ccccc1OCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773161385 681128426 /nfs/dbraw/zinc/12/84/26/681128426.db2.gz YSOAKYSOCOWUGR-ZDUSSCGKSA-N -1 1 361.471 2.193 20 0 FEADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773161914 681128701 /nfs/dbraw/zinc/12/87/01/681128701.db2.gz QITPNIVLYINESG-ZYHUDNBSSA-N -1 1 367.862 2.246 20 0 FEADMM COc1ccc(S[C@H](C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000773165608 681128905 /nfs/dbraw/zinc/12/89/05/681128905.db2.gz ZKVALRJLDTUXBG-MFKMUULPSA-N -1 1 365.484 2.006 20 0 FEADMM CCO[N-]C(=O)CNC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000845553005 681137220 /nfs/dbraw/zinc/13/72/20/681137220.db2.gz MQRKMXAGZHRTEK-HNNXBMFYSA-N -1 1 370.881 2.090 20 0 FEADMM C[C@]12CN(C(=O)c3ccc4ccccc4c3[O-])C[C@@]1(C)CS(=O)(=O)C2 ZINC000874508408 685409199 /nfs/dbraw/zinc/40/91/99/685409199.db2.gz RGTTYOYRJQROOK-KDURUIRLSA-N -1 1 359.447 2.442 20 0 FEADMM COc1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1NC(C)=O ZINC000773813472 681156375 /nfs/dbraw/zinc/15/63/75/681156375.db2.gz HACONURYNSRBCP-UHFFFAOYSA-N -1 1 357.395 2.237 20 0 FEADMM COCCOc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1F ZINC000773845553 681157424 /nfs/dbraw/zinc/15/74/24/681157424.db2.gz ANGUOLXMTAJTTE-UHFFFAOYSA-N -1 1 362.386 2.435 20 0 FEADMM COc1ccc(NC(C)=O)c(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000773851304 681157618 /nfs/dbraw/zinc/15/76/18/681157618.db2.gz JMAXBDJZTSTKRT-UHFFFAOYSA-N -1 1 357.395 2.237 20 0 FEADMM C[C@H](CN(C)C(=O)C1(C(=O)OC(C)(C)C)CCCCC1)c1nn[n-]n1 ZINC000845939817 681163710 /nfs/dbraw/zinc/16/37/10/681163710.db2.gz SEDMRGTYDVLKNQ-GFCCVEGCSA-N -1 1 351.451 2.054 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000774006142 681164375 /nfs/dbraw/zinc/16/43/75/681164375.db2.gz BBOGDNXMDKIBME-UHFFFAOYSA-N -1 1 351.819 2.141 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000774006142 681164378 /nfs/dbraw/zinc/16/43/78/681164378.db2.gz BBOGDNXMDKIBME-UHFFFAOYSA-N -1 1 351.819 2.141 20 0 FEADMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774402680 681184223 /nfs/dbraw/zinc/18/42/23/681184223.db2.gz KFFIDKLEMMNXMK-SECBINFHSA-N -1 1 364.377 2.494 20 0 FEADMM O=S1(=O)CCCC1=C([O-])N=c1sccn1Cc1ccccc1Cl ZINC000846784745 681289027 /nfs/dbraw/zinc/28/90/27/681289027.db2.gz UIIZPCGUJNBRNW-ZDUSSCGKSA-N -1 1 370.883 2.256 20 0 FEADMM CN1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3[O-])cn2)CC1 ZINC000775651905 681321718 /nfs/dbraw/zinc/32/17/18/681321718.db2.gz BRPLRLMRKARTKY-UHFFFAOYSA-N -1 1 360.845 2.122 20 0 FEADMM Cc1cccc(CNC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n1 ZINC000847291635 681359296 /nfs/dbraw/zinc/35/92/96/681359296.db2.gz FAZOBOGGYAMJAG-DGCLKSJQSA-N -1 1 358.364 2.131 20 0 FEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc21 ZINC000776092048 681362495 /nfs/dbraw/zinc/36/24/95/681362495.db2.gz HREOTLGZMKFTRP-UHFFFAOYSA-N -1 1 355.419 2.321 20 0 FEADMM Cc1ccc(CNC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)nc1 ZINC000847391346 681372607 /nfs/dbraw/zinc/37/26/07/681372607.db2.gz TYXWEXZLTMAYME-DGCLKSJQSA-N -1 1 358.364 2.131 20 0 FEADMM C[C@@H](COCC1CC1)NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847392068 681373183 /nfs/dbraw/zinc/37/31/83/681373183.db2.gz KYNVBZIVFLUZQX-DMDPSCGWSA-N -1 1 365.396 2.043 20 0 FEADMM O=C(c1cnc(Cl)c(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000847605123 681402879 /nfs/dbraw/zinc/40/28/79/681402879.db2.gz UDARSHNJVUPUSN-ZETCQYMHSA-N -1 1 371.626 2.030 20 0 FEADMM Cc1cc(Br)ccc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776562378 681405945 /nfs/dbraw/zinc/40/59/45/681405945.db2.gz COMVIXGGXOSEKB-LLVKDONJSA-N -1 1 368.260 2.201 20 0 FEADMM CC(C)(C)n1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000848031987 681465313 /nfs/dbraw/zinc/46/53/13/681465313.db2.gz ZGKFBCFFAQBGIZ-UHFFFAOYSA-N -1 1 360.380 2.169 20 0 FEADMM O=c1cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c2ccc([O-])cc2o1 ZINC000777597708 681508886 /nfs/dbraw/zinc/50/88/86/681508886.db2.gz FXYQWZBWOYFVSA-WBVHZDCISA-N -1 1 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367.327 2.476 20 0 FEADMM O=C([O-])[C@]1(NC(=O)c2ncoc2C2CC2)CCCN(Cc2ccccc2)C1 ZINC001123279128 939820123 /nfs/dbraw/zinc/82/01/23/939820123.db2.gz DIWQIZVTHAHQSQ-FQEVSTJZSA-N -1 1 369.421 2.401 20 0 FEADMM COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C(=O)[O-])C3CC3)CCN2C2CC2)c1 ZINC000663044595 939850907 /nfs/dbraw/zinc/85/09/07/939850907.db2.gz BQQACNBCNASYDL-RCCFBDPRSA-N -1 1 358.438 2.200 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000010455348 539517964 /nfs/dbraw/zinc/51/79/64/539517964.db2.gz DQIKIJPFKWUMAK-UHFFFAOYSA-N -1 1 373.482 2.336 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549801321 674064150 /nfs/dbraw/zinc/06/41/50/674064150.db2.gz UWPJTPGGKXMBHA-SNVBAGLBSA-N -1 1 357.325 2.240 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000015756229 539622338 /nfs/dbraw/zinc/62/23/38/539622338.db2.gz RGZPQGDMVLAWHP-UHFFFAOYSA-N -1 1 356.350 2.448 20 0 FEADMM O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(F)cc1 ZINC000022470792 539695583 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CC(C)[C@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000041869582 540037384 /nfs/dbraw/zinc/03/73/84/540037384.db2.gz SRHGGGQLXWFUDF-AWEZNQCLSA-N -1 1 371.275 2.241 20 0 FEADMM COc1ccccc1CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000042091481 540050527 /nfs/dbraw/zinc/05/05/27/540050527.db2.gz FBUFEACESQTTII-UHFFFAOYSA-N -1 1 364.405 2.008 20 0 FEADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NN=c2nc(OC)cc[n-]2)c1 ZINC000047139378 540291859 /nfs/dbraw/zinc/29/18/59/540291859.db2.gz GZHFFPFEJNEEMS-GFCCVEGCSA-N -1 1 372.429 2.296 20 0 FEADMM COc1ccccc1CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000047327673 540303732 /nfs/dbraw/zinc/30/37/32/540303732.db2.gz SUOQGNDKSPISHQ-UHFFFAOYSA-N -1 1 364.405 2.008 20 0 FEADMM O=C(CCN1CCCS1(=O)=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534553383 540381320 /nfs/dbraw/zinc/38/13/20/540381320.db2.gz RLZAGALKIZIZLQ-UHFFFAOYSA-N -1 1 374.875 2.156 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000055569180 540659956 /nfs/dbraw/zinc/65/99/56/540659956.db2.gz 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ZINC000064479063 541207336 /nfs/dbraw/zinc/20/73/36/541207336.db2.gz YXVUGKXJQOFHEL-UHFFFAOYSA-N -1 1 360.391 2.385 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000066348032 541306105 /nfs/dbraw/zinc/30/61/05/541306105.db2.gz HTHWEUXSPHEFOB-ZDUSSCGKSA-N -1 1 366.396 2.319 20 0 FEADMM Cc1ncsc1CN(C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000066407070 541314711 /nfs/dbraw/zinc/31/47/11/541314711.db2.gz OMIQZMLMQWLHLB-UHFFFAOYSA-N -1 1 359.455 2.408 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1C ZINC000066588127 541342121 /nfs/dbraw/zinc/34/21/21/541342121.db2.gz OYKYYQWJGXEIBH-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2n1CCCCC2)c1cc(F)ccc1F ZINC000066933467 541395715 /nfs/dbraw/zinc/39/57/15/541395715.db2.gz XHZDGOKBVMYVHG-UHFFFAOYSA-N -1 1 370.425 2.194 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2n1CCCCC2)c1cccc(F)c1F ZINC000066933374 541395909 /nfs/dbraw/zinc/39/59/09/541395909.db2.gz ZPLAALQMJQMSSR-UHFFFAOYSA-N -1 1 370.425 2.194 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCc2cc(F)ccc21 ZINC000067019905 541407637 /nfs/dbraw/zinc/40/76/37/541407637.db2.gz WHBIPOWWCBULEJ-UHFFFAOYSA-N -1 1 354.385 2.300 20 0 FEADMM CC(C)n1c(CCNC(=O)CCCNC(=O)OC(C)(C)C)n[n-]c1=S ZINC000067074131 541413806 /nfs/dbraw/zinc/41/38/06/541413806.db2.gz YNZXISIRIIHJRM-UHFFFAOYSA-N -1 1 371.507 2.485 20 0 FEADMM CCn1c(CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n[n-]c1=S ZINC000067076093 541414411 /nfs/dbraw/zinc/41/44/11/541414411.db2.gz FDVWCWFVGBFHMK-NSHDSACASA-N -1 1 369.491 2.019 20 0 FEADMM O=C(NCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000067507915 541473138 /nfs/dbraw/zinc/47/31/38/541473138.db2.gz BPWUQPJLIQPPEI-UHFFFAOYSA-N -1 1 365.231 2.403 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1NC(C)=O ZINC000068075397 541544407 /nfs/dbraw/zinc/54/44/07/541544407.db2.gz LWXWXFCZDIFNOE-UHFFFAOYSA-N -1 1 362.407 2.485 20 0 FEADMM CCCc1nnc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000068208770 541563170 /nfs/dbraw/zinc/56/31/70/541563170.db2.gz BWHVIPVSLSVWTB-UHFFFAOYSA-N -1 1 354.457 2.423 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccnc1 ZINC000068303342 541574377 /nfs/dbraw/zinc/57/43/77/541574377.db2.gz YPSOUFRXERAJNN-UHFFFAOYSA-N -1 1 351.428 2.418 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426547 541590266 /nfs/dbraw/zinc/59/02/66/541590266.db2.gz BWCVBEAXLJZXFR-SNVBAGLBSA-N -1 1 369.491 2.097 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300362 541676168 /nfs/dbraw/zinc/67/61/68/541676168.db2.gz LPDYVSQWFSHEEP-CHWSQXEVSA-N -1 1 370.519 2.395 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ncnn1C(C)(C)C ZINC000801245796 674113363 /nfs/dbraw/zinc/11/33/63/674113363.db2.gz GQUHRZYAQRWSEM-UHFFFAOYSA-N -1 1 366.443 2.152 20 0 FEADMM CCOC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000070925958 541752742 /nfs/dbraw/zinc/75/27/42/541752742.db2.gz RQQHMLRWVKTLMP-ZDUSSCGKSA-N -1 1 372.487 2.245 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c(C)c1 ZINC000036833100 205022864 /nfs/dbraw/zinc/02/28/64/205022864.db2.gz QCJAXQIDTCRQEN-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000046541584 205137211 /nfs/dbraw/zinc/13/72/11/205137211.db2.gz WFKASAJURPTSBG-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM C[C@@H](CN1CCOCC1)OC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801357996 674123963 /nfs/dbraw/zinc/12/39/63/674123963.db2.gz GHKQGDUGDGMUOI-LBPRGKRZSA-N -1 1 365.817 2.109 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000055548430 205220616 /nfs/dbraw/zinc/22/06/16/205220616.db2.gz UVCYQXAYIDURKW-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000040414127 205297094 /nfs/dbraw/zinc/29/70/94/205297094.db2.gz BLPGPXYZMDHZNL-UHFFFAOYSA-N -1 1 355.213 2.349 20 0 FEADMM CN1CCN(c2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cn2)CC1 ZINC000073420504 541951908 /nfs/dbraw/zinc/95/19/08/541951908.db2.gz HEGUFBYIEQEOPD-UHFFFAOYSA-N -1 1 360.845 2.122 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCSc1ccccc1 ZINC000074161873 542045704 /nfs/dbraw/zinc/04/57/04/542045704.db2.gz BEWXQQDBTPNZIP-UHFFFAOYSA-N -1 1 356.451 2.438 20 0 FEADMM CO[C@H](C)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075578424 542189772 /nfs/dbraw/zinc/18/97/72/542189772.db2.gz TVSMZDDLKYPANR-CQSZACIVSA-N -1 1 362.451 2.481 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000076642589 542304165 /nfs/dbraw/zinc/30/41/65/542304165.db2.gz YOHDRKWBVBXPIT-UHFFFAOYSA-N -1 1 358.778 2.211 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1C ZINC000551473866 674146615 /nfs/dbraw/zinc/14/66/15/674146615.db2.gz SKXUBUBYLDQCQC-UHFFFAOYSA-N -1 1 360.435 2.480 20 0 FEADMM COC(=O)c1cc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)oc1C ZINC000079095401 542498912 /nfs/dbraw/zinc/49/89/12/542498912.db2.gz LMUDOKRVKYTGQV-UHFFFAOYSA-N -1 1 355.350 2.296 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCOc2ccccc21 ZINC000059577292 132376321 /nfs/dbraw/zinc/37/63/21/132376321.db2.gz OYXFTJKEAJKXTG-UHFFFAOYSA-N -1 1 362.389 2.108 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1nn[n-]n1 ZINC000092498055 542865598 /nfs/dbraw/zinc/86/55/98/542865598.db2.gz JNMKDMIUIASGHF-QGZVFWFLSA-N -1 1 366.425 2.374 20 0 FEADMM C[C@H]([C@H](C)N(C)C(=O)c1ccc(Br)cc1[O-])S(C)(=O)=O ZINC000094138826 542953752 /nfs/dbraw/zinc/95/37/52/542953752.db2.gz KBHKMZRXVPOOPM-DTWKUNHWSA-N -1 1 364.261 2.048 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000105390735 543173018 /nfs/dbraw/zinc/17/30/18/543173018.db2.gz HIDRGWQVLIVGIH-UHFFFAOYSA-N -1 1 372.805 2.405 20 0 FEADMM COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccccc3[O-])cn2)cc1 ZINC000109570204 543327502 /nfs/dbraw/zinc/32/75/02/543327502.db2.gz KRKOBPCBSFRCGJ-UHFFFAOYSA-N -1 1 366.377 2.488 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)CCC2 ZINC000110393686 543357057 /nfs/dbraw/zinc/35/70/57/543357057.db2.gz CEGPRZBOEJECHI-UHFFFAOYSA-N -1 1 350.422 2.470 20 0 FEADMM COc1cccc([C@H]2C[C@@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114411520 543514091 /nfs/dbraw/zinc/51/40/91/543514091.db2.gz OXAWCFXRKCSBKC-CVEARBPZSA-N -1 1 366.421 2.068 20 0 FEADMM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000116356487 543607396 /nfs/dbraw/zinc/60/73/96/543607396.db2.gz ITVVVPDYNWKPIZ-YPMHNXCESA-N -1 1 360.426 2.327 20 0 FEADMM COc1cccc(OCCCNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000121023362 543687815 /nfs/dbraw/zinc/68/78/15/543687815.db2.gz MKWLMQGYXQWKAV-UHFFFAOYSA-N -1 1 353.378 2.131 20 0 FEADMM O=C(Cc1cccc(OCCCOc2ccccc2)c1)Nc1nnn[n-]1 ZINC000123420904 543761285 /nfs/dbraw/zinc/76/12/85/543761285.db2.gz SIUMAVMZGOLXLT-UHFFFAOYSA-N -1 1 353.382 2.229 20 0 FEADMM O=C(Cc1cccc(OCCCOc2ccccc2)c1)Nc1nn[n-]n1 ZINC000123420904 543761288 /nfs/dbraw/zinc/76/12/88/543761288.db2.gz SIUMAVMZGOLXLT-UHFFFAOYSA-N -1 1 353.382 2.229 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)o1 ZINC000124292116 543812156 /nfs/dbraw/zinc/81/21/56/543812156.db2.gz PSXYQESGSOCWMK-UHFFFAOYSA-N -1 1 370.471 2.142 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1 ZINC000126825917 543958567 /nfs/dbraw/zinc/95/85/67/543958567.db2.gz GUVIVDVHZRXCTJ-UHFFFAOYSA-N -1 1 369.468 2.272 20 0 FEADMM O=C(NC1CCN(c2cccs2)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000128629010 544063756 /nfs/dbraw/zinc/06/37/56/544063756.db2.gz QKXLSCYZQGGVIJ-UHFFFAOYSA-N -1 1 354.435 2.383 20 0 FEADMM O=C(c1csc(Cc2ccccc2F)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129502384 544115505 /nfs/dbraw/zinc/11/55/05/544115505.db2.gz YBKLGYZYVBACDA-GFCCVEGCSA-N -1 1 372.429 2.406 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)co1 ZINC000130234392 544143999 /nfs/dbraw/zinc/14/39/99/544143999.db2.gz MJGABPMHNJYHGD-KRWDZBQOSA-N -1 1 371.418 2.102 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3cc(C)cc(C)c3)[nH]n2)co1 ZINC000131277252 544183792 /nfs/dbraw/zinc/18/37/92/544183792.db2.gz XXOCXKVJPPTTBV-UHFFFAOYSA-N -1 1 374.422 2.447 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CC2)co1 ZINC000133768362 544282563 /nfs/dbraw/zinc/28/25/63/544282563.db2.gz VLEGPKRQOGVTLP-UHFFFAOYSA-N -1 1 354.815 2.260 20 0 FEADMM CCC[C@H](NC(=O)c1cnn(-c2ccc(F)cc2F)c1C)c1nn[n-]n1 ZINC000136714756 544377551 /nfs/dbraw/zinc/37/75/51/544377551.db2.gz HSTSNDQMMJHRQC-ZDUSSCGKSA-N -1 1 361.356 2.243 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000150798133 544473507 /nfs/dbraw/zinc/47/35/07/544473507.db2.gz PPTIARJKBCYJBH-HOTGVXAUSA-N -1 1 372.469 2.448 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(F)c(F)c2F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000151450103 544542704 /nfs/dbraw/zinc/54/27/04/544542704.db2.gz LGUIBZQZTPHMFT-UHFFFAOYSA-N -1 1 350.256 2.002 20 0 FEADMM O=S(=O)(Cc1ncc(-c2cccc(Br)c2)o1)c1ncn[n-]1 ZINC000153026133 544724239 /nfs/dbraw/zinc/72/42/39/544724239.db2.gz XWMXKRYYAYMGCV-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM O=S(=O)(Cc1ncc(-c2cccc(Br)c2)o1)c1nc[n-]n1 ZINC000153026133 544724242 /nfs/dbraw/zinc/72/42/42/544724242.db2.gz XWMXKRYYAYMGCV-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)co1 ZINC000153181391 544743117 /nfs/dbraw/zinc/74/31/17/544743117.db2.gz SQIYMAXCFLRIGV-CQSZACIVSA-N -1 1 352.387 2.134 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000153961310 544845521 /nfs/dbraw/zinc/84/55/21/544845521.db2.gz WBHJPBBXPMPBOI-CQSZACIVSA-N -1 1 351.790 2.001 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000154599063 544926414 /nfs/dbraw/zinc/92/64/14/544926414.db2.gz NOMURUZMLYYNKS-GFCCVEGCSA-N -1 1 370.335 2.448 20 0 FEADMM COc1cccc(COCC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000154691527 544937848 /nfs/dbraw/zinc/93/78/48/544937848.db2.gz KSIZZBXYYLXVRQ-UHFFFAOYSA-N -1 1 357.378 2.469 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nc3c(cccc3Cl)[nH]2)o1 ZINC000802884785 674205566 /nfs/dbraw/zinc/20/55/66/674205566.db2.gz MDZMKRWQEONSOG-UHFFFAOYSA-N -1 1 369.786 2.074 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)c1ccc(OC)cc1 ZINC000552530532 674213728 /nfs/dbraw/zinc/21/37/28/674213728.db2.gz LBHSVAYBZDTVQO-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000803109626 674223363 /nfs/dbraw/zinc/22/33/63/674223363.db2.gz CJRYNIPEECKHDD-JIMOISOXSA-N -1 1 353.785 2.013 20 0 FEADMM COCC1(CNC(=O)c2ccc(Br)c([O-])c2)CCOCC1 ZINC000553020716 674233983 /nfs/dbraw/zinc/23/39/83/674233983.db2.gz GTZHDOXWBKLUQR-UHFFFAOYSA-N -1 1 358.232 2.328 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC2)cc1 ZINC000179050963 327623193 /nfs/dbraw/zinc/62/31/93/327623193.db2.gz GIKRTAZMIRJEDR-HNNXBMFYSA-N -1 1 360.435 2.315 20 0 FEADMM NC(=O)C1CCN(c2ccc(NC(=O)c3ccc([O-])cc3F)cc2)CC1 ZINC000181196487 327720226 /nfs/dbraw/zinc/72/02/26/327720226.db2.gz XEDSJAFYEQPQBY-UHFFFAOYSA-N -1 1 357.385 2.485 20 0 FEADMM CSCCCCCCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000181819944 327747982 /nfs/dbraw/zinc/74/79/82/327747982.db2.gz ASEYJHHPBCRVSM-UHFFFAOYSA-N -1 1 350.488 2.222 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CS(=O)(=O)CC(C)C)c1 ZINC000182934175 327794191 /nfs/dbraw/zinc/79/41/91/327794191.db2.gz OXXTUBWJOFNHCW-UHFFFAOYSA-N -1 1 364.261 2.472 20 0 FEADMM NC(=O)c1cccc(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000185578116 327923200 /nfs/dbraw/zinc/92/32/00/327923200.db2.gz XOHSDCUCXYYNMV-UHFFFAOYSA-N -1 1 356.806 2.099 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O ZINC000187264296 328011936 /nfs/dbraw/zinc/01/19/36/328011936.db2.gz WTZOVLZYDDMQPS-UHFFFAOYSA-N -1 1 354.453 2.421 20 0 FEADMM CCc1cc2c(CNc3ccn(CC(=O)OC)n3)cc(=O)oc2cc1[O-] ZINC000187437935 328025601 /nfs/dbraw/zinc/02/56/01/328025601.db2.gz ULDHYWHWHOIHHW-UHFFFAOYSA-N -1 1 357.366 2.043 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c(=O)[n-]1 ZINC000187502539 328030306 /nfs/dbraw/zinc/03/03/06/328030306.db2.gz TXRNHBXPQAUHOR-HUUCEWRRSA-N -1 1 367.515 2.443 20 0 FEADMM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1c(F)cccc1F)c1ccncc1 ZINC000187712339 328041554 /nfs/dbraw/zinc/04/15/54/328041554.db2.gz PBDNHNCVVRALBF-MRXNPFEDSA-N -1 1 370.377 2.117 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Cl)ccc1OCCC1CC1 ZINC000187782480 328045671 /nfs/dbraw/zinc/04/56/71/328045671.db2.gz JQDVIOHEKNKGGS-UHFFFAOYSA-N -1 1 369.817 2.425 20 0 FEADMM CCc1ccc(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)c([O-])c1 ZINC000187823665 328048430 /nfs/dbraw/zinc/04/84/30/328048430.db2.gz RKXLIDPXYLIZAO-UHFFFAOYSA-N -1 1 360.435 2.066 20 0 FEADMM CN(C(=O)c1cc(I)ccc1[O-])c1cnn(C)c1 ZINC000188015440 328060407 /nfs/dbraw/zinc/06/04/07/328060407.db2.gz YBLAKXZOFMWQFW-UHFFFAOYSA-N -1 1 357.151 2.007 20 0 FEADMM CO[C@H]1CC[C@@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000188443188 328087301 /nfs/dbraw/zinc/08/73/01/328087301.db2.gz RSJRICNJXDFKGW-ZJUUUORDSA-N -1 1 361.179 2.294 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)ccc1F ZINC000188581784 328096685 /nfs/dbraw/zinc/09/66/85/328096685.db2.gz RPNVLTFEAPVXAQ-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM C[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190763903 328231139 /nfs/dbraw/zinc/23/11/39/328231139.db2.gz HTMXNJBEAIRSCM-ZCFIWIBFSA-N -1 1 360.632 2.291 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)ccc1F ZINC000190819488 328234289 /nfs/dbraw/zinc/23/42/89/328234289.db2.gz XBXKAUUGUAJJRA-UHFFFAOYSA-N -1 1 362.386 2.431 20 0 FEADMM O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000191312573 328259467 /nfs/dbraw/zinc/25/94/67/328259467.db2.gz BPVFMRSBVJUYRV-WMLDXEAASA-N -1 1 374.462 2.378 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)ccc1Cl ZINC000192131369 328301538 /nfs/dbraw/zinc/30/15/38/328301538.db2.gz HJKSKWKUMGGYJK-UHFFFAOYSA-N -1 1 363.716 2.305 20 0 FEADMM CN(Cc1ccco1)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192708370 328334671 /nfs/dbraw/zinc/33/46/71/328334671.db2.gz GICNPHKWWJENCJ-UHFFFAOYSA-N -1 1 363.439 2.408 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)o1 ZINC000031553595 324468668 /nfs/dbraw/zinc/46/86/68/324468668.db2.gz 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325027484 /nfs/dbraw/zinc/02/74/84/325027484.db2.gz KDCZIYGVNMZCEQ-NSHDSACASA-N -1 1 354.122 2.294 20 0 FEADMM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1cc(F)ccc1[O-] ZINC000080027287 325114614 /nfs/dbraw/zinc/11/46/14/325114614.db2.gz JLQMYNLSLVBGND-UHFFFAOYSA-N -1 1 356.353 2.338 20 0 FEADMM COc1ccc(-c2nc(CN3CCN(CCC(=O)[O-])CC3)cs2)cc1 ZINC000237480833 328517499 /nfs/dbraw/zinc/51/74/99/328517499.db2.gz NFXADOIGUKEUNZ-UHFFFAOYSA-N -1 1 361.467 2.411 20 0 FEADMM COCCN(Cc1cccnc1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081657538 325192275 /nfs/dbraw/zinc/19/22/75/325192275.db2.gz SMVZNQYVDQSAJO-UHFFFAOYSA-N -1 1 358.442 2.060 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000081720880 325194591 /nfs/dbraw/zinc/19/45/91/325194591.db2.gz QFVQJVNDOYQKRR-LBPRGKRZSA-N -1 1 356.426 2.133 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cccnc1OCC(F)F ZINC000089818397 325335394 /nfs/dbraw/zinc/33/53/94/325335394.db2.gz RYJLUZZSMHQYHS-UHFFFAOYSA-N -1 1 355.370 2.244 20 0 FEADMM CCc1c(C(=O)NCCc2n[n-]c(=S)n2C)cnn1-c1ccc(F)cc1 ZINC000097550848 325462620 /nfs/dbraw/zinc/46/26/20/325462620.db2.gz SMFJMQFXNUYTMG-UHFFFAOYSA-N -1 1 374.445 2.337 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cccc(F)c1F)c1cccs1 ZINC000101576218 325472928 /nfs/dbraw/zinc/47/29/28/325472928.db2.gz LGOHUYOSMNIMSA-UHFFFAOYSA-N -1 1 360.407 2.125 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)Cc2ccccc2)o1 ZINC000117297456 326056225 /nfs/dbraw/zinc/05/62/25/326056225.db2.gz CCDCQIITKCFQPN-UHFFFAOYSA-N -1 1 350.440 2.186 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOc3cc(F)ccc32)c(=O)[n-]1 ZINC000118278850 326087007 /nfs/dbraw/zinc/08/70/07/326087007.db2.gz OELABBCCIJBOOD-UHFFFAOYSA-N -1 1 363.414 2.298 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000118301183 326087698 /nfs/dbraw/zinc/08/76/98/326087698.db2.gz NSVOLAKYLSYCAT-UHFFFAOYSA-N -1 1 363.317 2.253 20 0 FEADMM CC(C)COC[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccco1 ZINC000119200007 326136796 /nfs/dbraw/zinc/13/67/96/326136796.db2.gz CACYQVXOYOYAOL-CQSZACIVSA-N -1 1 358.398 2.411 20 0 FEADMM CCCC[C@H](COC)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000119647715 326184079 /nfs/dbraw/zinc/18/40/79/326184079.db2.gz CEJQWGQQHDLQED-OAHLLOKOSA-N -1 1 358.442 2.004 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H](O)C3)ccc2C)cc1 ZINC000119780410 326197133 /nfs/dbraw/zinc/19/71/33/326197133.db2.gz HTPWBZLRHUUHSW-KRWDZBQOSA-N -1 1 374.462 2.311 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](O)C3)cc2)c1 ZINC000119824728 326202393 /nfs/dbraw/zinc/20/23/93/326202393.db2.gz BVDAZXVWQBNPNS-KRWDZBQOSA-N -1 1 374.462 2.311 20 0 FEADMM O=C(NCCCO)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000120465744 326261115 /nfs/dbraw/zinc/26/11/15/326261115.db2.gz VHISJOVTVQCHHQ-UHFFFAOYSA-N -1 1 368.842 2.253 20 0 FEADMM CC[C@H]1CCc2nc(NC(=O)c3coc(S(=O)(=O)[N-]C)c3)sc2C1 ZINC000121157515 326317779 /nfs/dbraw/zinc/31/77/79/326317779.db2.gz OSMXKQSCMMDYAN-VIFPVBQESA-N -1 1 369.468 2.411 20 0 FEADMM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121594002 326350597 /nfs/dbraw/zinc/35/05/97/326350597.db2.gz PXEJUSIOMKVUSA-LDWIPMOCSA-N -1 1 356.188 2.183 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2ccc(Cl)cc2C1 ZINC000121997363 326380044 /nfs/dbraw/zinc/38/00/44/326380044.db2.gz CXSWWFGRFMBNRI-UHFFFAOYSA-N -1 1 370.840 2.420 20 0 FEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000123464059 326432571 /nfs/dbraw/zinc/43/25/71/326432571.db2.gz HXWOWPGSKBNCBK-VIFPVBQESA-N -1 1 363.869 2.208 20 0 FEADMM CC[C@](C)(CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000125705752 326476569 /nfs/dbraw/zinc/47/65/69/326476569.db2.gz PPJZINBHBCHXLY-GOSISDBHSA-N -1 1 362.451 2.378 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)cc1 ZINC000127842710 326513470 /nfs/dbraw/zinc/51/34/70/326513470.db2.gz IDWAFZGFSVXWTK-UHFFFAOYSA-N -1 1 371.422 2.335 20 0 FEADMM CC[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000128442680 326523844 /nfs/dbraw/zinc/52/38/44/326523844.db2.gz UQZGYKUGHKJEQB-CYBMUJFWSA-N -1 1 352.387 2.311 20 0 FEADMM O=C(Cc1ccc(F)cc1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130505772 326558163 /nfs/dbraw/zinc/55/81/63/326558163.db2.gz RXRHLTCSRGTKGL-UHFFFAOYSA-N -1 1 364.398 2.153 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000131296943 326572198 /nfs/dbraw/zinc/57/21/98/326572198.db2.gz PNVPUTRTBANTIN-AWEZNQCLSA-N -1 1 369.469 2.170 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1C ZINC000134769225 326631182 /nfs/dbraw/zinc/63/11/82/326631182.db2.gz IDUQBRQQHIQUPY-UHFFFAOYSA-N -1 1 358.419 2.284 20 0 FEADMM CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000136930043 326656428 /nfs/dbraw/zinc/65/64/28/326656428.db2.gz GYXBLCODOWDRDY-IRXDYDNUSA-N -1 1 356.422 2.333 20 0 FEADMM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151159300 326676173 /nfs/dbraw/zinc/67/61/73/326676173.db2.gz DDAZGJAFJWJAQU-MRVPVSSYSA-N -1 1 368.768 2.317 20 0 FEADMM CCC(CC)(CCO)CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000152441608 326707455 /nfs/dbraw/zinc/70/74/55/326707455.db2.gz AMNOEPBPPFHBTH-UHFFFAOYSA-N -1 1 362.474 2.289 20 0 FEADMM Cc1oc(C(=O)Nc2ccc(Cl)cc2[O-])cc1S(=O)(=O)N(C)C ZINC000153717756 326740761 /nfs/dbraw/zinc/74/07/61/326740761.db2.gz JSRBUFBKCBEOJK-UHFFFAOYSA-N -1 1 358.803 2.450 20 0 FEADMM O=C([N-][C@@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)c1ccccc1 ZINC000155506276 326790714 /nfs/dbraw/zinc/79/07/14/326790714.db2.gz FALWSPDHGSLQED-LLVKDONJSA-N -1 1 350.287 2.448 20 0 FEADMM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1C ZINC000156344403 326827467 /nfs/dbraw/zinc/82/74/67/326827467.db2.gz JOOLNSBVSXFRGC-UHFFFAOYSA-N -1 1 355.391 2.466 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000156985947 326850705 /nfs/dbraw/zinc/85/07/05/326850705.db2.gz RNWHKKGEKFTHFH-GDBMZVCRSA-N -1 1 358.442 2.058 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Br)o3)no2)co1 ZINC000161671322 327005974 /nfs/dbraw/zinc/00/59/74/327005974.db2.gz QJNBBOVTMOXBPQ-UHFFFAOYSA-N -1 1 374.172 2.260 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2csc3ccc(Cl)cc23)n1 ZINC000161950036 327013186 /nfs/dbraw/zinc/01/31/86/327013186.db2.gz HLEULENVRKSSKO-UHFFFAOYSA-N -1 1 370.843 2.258 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)Cc2csc3ccc(Cl)cc23)[n-]1 ZINC000161950036 327013187 /nfs/dbraw/zinc/01/31/87/327013187.db2.gz HLEULENVRKSSKO-UHFFFAOYSA-N -1 1 370.843 2.258 20 0 FEADMM CC(C)n1cccc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000163698072 327056721 /nfs/dbraw/zinc/05/67/21/327056721.db2.gz SAMIXZYIZZQASI-UHFFFAOYSA-N -1 1 363.439 2.468 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000164632426 327072917 /nfs/dbraw/zinc/07/29/17/327072917.db2.gz RRYAKKHCPPFYHY-CYBMUJFWSA-N -1 1 356.369 2.043 20 0 FEADMM Cn1c(Cc2csc(NC(=O)[C@H]3Cc4ccccc4O3)n2)n[n-]c1=S ZINC000170688419 327094163 /nfs/dbraw/zinc/09/41/63/327094163.db2.gz ONJGBPXXSHZKHI-GFCCVEGCSA-N -1 1 373.463 2.467 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cn[nH]c1 ZINC000171017258 327112815 /nfs/dbraw/zinc/11/28/15/327112815.db2.gz JAFVWUYUICFQEQ-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cc(F)ccc1Cl ZINC000171263683 327128311 /nfs/dbraw/zinc/12/83/11/327128311.db2.gz WHAHMWYRZRITKC-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000173200820 327240911 /nfs/dbraw/zinc/24/09/11/327240911.db2.gz HBRIHXMXVLDTAO-SECBINFHSA-N -1 1 373.722 2.469 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000174210400 327313403 /nfs/dbraw/zinc/31/34/03/327313403.db2.gz PVGOOKPVMYWSDZ-SECBINFHSA-N -1 1 374.367 2.126 20 0 FEADMM CC[C@](C)(O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000174781551 327350592 /nfs/dbraw/zinc/35/05/92/327350592.db2.gz WEZSZADPYKUDDY-SFHVURJKSA-N -1 1 362.451 2.378 20 0 FEADMM CCN(Cc1ccccn1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000176150014 327437364 /nfs/dbraw/zinc/43/73/64/327437364.db2.gz WTSUBHUMMAXVDM-UHFFFAOYSA-N -1 1 353.426 2.428 20 0 FEADMM CC(C)N(C)S(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000176181896 327439137 /nfs/dbraw/zinc/43/91/37/327439137.db2.gz FLOVSWOHSUWISY-UHFFFAOYSA-N -1 1 370.368 2.232 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1F ZINC000178142749 327567757 /nfs/dbraw/zinc/56/77/57/327567757.db2.gz KKSGXXYMZBLNRX-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)o1 ZINC000246593349 328630540 /nfs/dbraw/zinc/63/05/40/328630540.db2.gz CVPJLMQDEOXRMV-CKEIUWERSA-N -1 1 361.419 2.321 20 0 FEADMM CCC[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C(=O)[O-] ZINC000262284709 328856473 /nfs/dbraw/zinc/85/64/73/328856473.db2.gz LWRVDNJKZLMOCC-HZPDHXFCSA-N -1 1 364.442 2.210 20 0 FEADMM O=C(c1ccoc1)N1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000263702154 328953902 /nfs/dbraw/zinc/95/39/02/328953902.db2.gz NSGWTXHDFLLMBY-UHFFFAOYSA-N -1 1 370.377 2.141 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265950354 329175618 /nfs/dbraw/zinc/17/56/18/329175618.db2.gz HCSIEDFDALTRDZ-XKQJLSEDSA-N -1 1 368.437 2.025 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1nc(C2CC2)no1 ZINC000266162904 329196170 /nfs/dbraw/zinc/19/61/70/329196170.db2.gz LKVLLSYGGDCVJU-ZDUSSCGKSA-N -1 1 353.448 2.400 20 0 FEADMM CCOC(=O)N[C@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000266948288 329275788 /nfs/dbraw/zinc/27/57/88/329275788.db2.gz DHDHOBBQJPJSCO-LBPRGKRZSA-N -1 1 364.446 2.139 20 0 FEADMM CCCNC(=O)c1cccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000267006829 329282370 /nfs/dbraw/zinc/28/23/70/329282370.db2.gz LSRYUWGXKPEECU-UHFFFAOYSA-N -1 1 374.466 2.282 20 0 FEADMM COc1ccc(NC(=O)N(C)Cc2cscn2)cc1[N-]S(C)(=O)=O ZINC000267241343 329306146 /nfs/dbraw/zinc/30/61/46/329306146.db2.gz XMZRVLBIPPLCFZ-UHFFFAOYSA-N -1 1 370.456 2.187 20 0 FEADMM COC(=O)COc1c(C)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1C ZINC000267686137 329349762 /nfs/dbraw/zinc/34/97/62/329349762.db2.gz FQFOXFSTGSIYSJ-UHFFFAOYSA-N -1 1 372.303 2.244 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@]1(C)CCCS1 ZINC000268271499 329403503 /nfs/dbraw/zinc/40/35/03/329403503.db2.gz MFUBIBGXOSUCCU-GOSISDBHSA-N -1 1 358.467 2.497 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCOc1ccc(Cl)cn1 ZINC000268507305 329428505 /nfs/dbraw/zinc/42/85/05/329428505.db2.gz BIDFSOFJQUTCFL-UHFFFAOYSA-N -1 1 354.819 2.070 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1oc2ccccc2c1C ZINC000269679153 329539648 /nfs/dbraw/zinc/53/96/48/329539648.db2.gz RZLXSZCENSHUSZ-UHFFFAOYSA-N -1 1 363.395 2.120 20 0 FEADMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@@H](O)C(F)(F)F ZINC000269745819 329545421 /nfs/dbraw/zinc/54/54/21/329545421.db2.gz WQOTYTPLIAXSLR-SECBINFHSA-N -1 1 352.161 2.336 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2(c3cccc(OC)c3)CC2)c1 ZINC000270037096 329569756 /nfs/dbraw/zinc/56/97/56/329569756.db2.gz RHCZPJHLXHRFIG-UHFFFAOYSA-N -1 1 351.380 2.042 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC(=O)C(C)(C)C ZINC000270530974 329608029 /nfs/dbraw/zinc/60/80/29/329608029.db2.gz FEWKRQMEWXCHDA-UHFFFAOYSA-N -1 1 356.426 2.217 20 0 FEADMM CCSCc1ccnc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000270560150 329610424 /nfs/dbraw/zinc/61/04/24/329610424.db2.gz KSHHMLRTVWDYRG-UHFFFAOYSA-N -1 1 355.441 2.088 20 0 FEADMM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCSC1 ZINC000270670054 329620688 /nfs/dbraw/zinc/62/06/88/329620688.db2.gz PSLFRWLEGMLNKF-CYBMUJFWSA-N -1 1 351.321 2.222 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@]1(C)CCCO ZINC000271394317 329690649 /nfs/dbraw/zinc/69/06/49/329690649.db2.gz ULMUNBQLINXNRK-HXUWFJFHSA-N -1 1 370.453 2.249 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000272971281 329827231 /nfs/dbraw/zinc/82/72/31/329827231.db2.gz JFPZHJRJOSCAOC-GOEBONIOSA-N -1 1 360.458 2.097 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000273975825 329906539 /nfs/dbraw/zinc/90/65/39/329906539.db2.gz SLWVBFCULADONZ-NXEZZACHSA-N -1 1 363.863 2.338 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3CC(=O)N(CC4CC4)C3)no2)c1 ZINC000274118212 329917344 /nfs/dbraw/zinc/91/73/44/329917344.db2.gz ZTJBMRVDYSYVCI-LBPRGKRZSA-N -1 1 356.382 2.127 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccc(OC)c(F)c1 ZINC000274675651 329970275 /nfs/dbraw/zinc/97/02/75/329970275.db2.gz KWOLAILFMIQWQT-CQSZACIVSA-N -1 1 373.427 2.479 20 0 FEADMM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)[N-]OCCC(F)(F)F ZINC000275218598 330023424 /nfs/dbraw/zinc/02/34/24/330023424.db2.gz MRGUREPFBJNDKZ-UHFFFAOYSA-N -1 1 356.304 2.095 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cncs2)c1 ZINC000275471439 330052601 /nfs/dbraw/zinc/05/26/01/330052601.db2.gz XIHLNVHUUXXYGC-UHFFFAOYSA-N -1 1 369.468 2.060 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2noc3c2CCCC3)CC1)C(F)(F)F ZINC000281807175 330175739 /nfs/dbraw/zinc/17/57/39/330175739.db2.gz UKRYVPJHOSQWOT-UHFFFAOYSA-N -1 1 359.348 2.084 20 0 FEADMM Cc1c(NC(=O)c2cncc([O-])c2)cccc1S(=O)(=O)NC(C)(C)C ZINC000284224870 330179124 /nfs/dbraw/zinc/17/91/24/330179124.db2.gz DNCLUYGABUIFHF-UHFFFAOYSA-N -1 1 363.439 2.425 20 0 FEADMM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000286411872 330182429 /nfs/dbraw/zinc/18/24/29/330182429.db2.gz RUHKSDNOSBSGPP-AWEZNQCLSA-N -1 1 362.451 2.041 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@]4(C3)CCCN(C)C4=O)nc2)[n-]c(=O)c1C ZINC000364819625 330207813 /nfs/dbraw/zinc/20/78/13/330207813.db2.gz WNHIZPRQTWKLRZ-FQEVSTJZSA-N -1 1 367.453 2.310 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)ccc1C(=O)[O-] ZINC000367137175 330221549 /nfs/dbraw/zinc/22/15/49/330221549.db2.gz HBHNPKHBMFXZCZ-OAHLLOKOSA-N -1 1 363.391 2.310 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O)c2=O ZINC000375777886 330250044 /nfs/dbraw/zinc/25/00/44/330250044.db2.gz VTSGZUXHAZYDSN-SPYBWZPUSA-N -1 1 358.442 2.220 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C(N)=O ZINC000804808757 674301652 /nfs/dbraw/zinc/30/16/52/674301652.db2.gz XXDZJYHAEROHCU-LBPRGKRZSA-N -1 1 351.403 2.123 20 0 FEADMM CO[C@@H](C)c1nc(=N[C@H](CN2CCN(C)CC2)c2ccccc2)s[n-]1 ZINC000554686569 674330250 /nfs/dbraw/zinc/33/02/50/674330250.db2.gz KZIXZOCUPFBJHD-GOEBONIOSA-N -1 1 361.515 2.068 20 0 FEADMM Cc1ccc([C@H](NC(=O)COC(=O)c2cn[n-]n2)c2cccs2)cc1 ZINC000805608482 674347284 /nfs/dbraw/zinc/34/72/84/674347284.db2.gz FNHUXOYYSIPLOB-INIZCTEOSA-N -1 1 356.407 2.237 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1Br ZINC000155527075 545538616 /nfs/dbraw/zinc/53/86/16/545538616.db2.gz YHUUTXIRQAYMIR-LLVKDONJSA-N -1 1 350.220 2.290 20 0 FEADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1Br ZINC000155550952 545541420 /nfs/dbraw/zinc/54/14/20/545541420.db2.gz JUBGHGXDLNSFGF-LLVKDONJSA-N -1 1 350.220 2.290 20 0 FEADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155585488 545545859 /nfs/dbraw/zinc/54/58/59/545545859.db2.gz VZBDBSGHCAVECX-STQMWFEESA-N -1 1 368.445 2.244 20 0 FEADMM COCc1n[n-]c(=N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)s1 ZINC000477121210 538600018 /nfs/dbraw/zinc/60/00/18/538600018.db2.gz OIGIGINPBUJBPC-CYBMUJFWSA-N -1 1 364.471 2.388 20 0 FEADMM COCc1n[n-]c(=N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)s1 ZINC000477121211 538600103 /nfs/dbraw/zinc/60/01/03/538600103.db2.gz OIGIGINPBUJBPC-ZDUSSCGKSA-N -1 1 364.471 2.388 20 0 FEADMM CSc1nc(C)c(CCC(=O)N=c2ccn(CC(F)F)[nH]2)c(=O)[n-]1 ZINC000482628256 538631730 /nfs/dbraw/zinc/63/17/30/538631730.db2.gz JMVVHFFYUXYKEG-UHFFFAOYSA-N -1 1 357.386 2.245 20 0 FEADMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000477320785 561142125 /nfs/dbraw/zinc/14/21/25/561142125.db2.gz ROHMGWIHWMTXCB-UHFFFAOYSA-N -1 1 363.391 2.322 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1O)c1nn[n-]n1 ZINC000156534515 545634182 /nfs/dbraw/zinc/63/41/82/545634182.db2.gz ZAMKBXUMTDQHLB-ZDUSSCGKSA-N -1 1 351.410 2.372 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C12CCCCC2 ZINC000477347853 561142821 /nfs/dbraw/zinc/14/28/21/561142821.db2.gz HBYOWSORXOBMLZ-NEPJUHHUSA-N -1 1 365.430 2.096 20 0 FEADMM O=C([N-]c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)c1ccon1 ZINC000477480505 561146029 /nfs/dbraw/zinc/14/60/29/561146029.db2.gz XWHWQXQDYZJSPP-UHFFFAOYSA-N -1 1 359.766 2.160 20 0 FEADMM O=C(NCCNc1ccc(C(F)(F)F)cn1)C(=O)c1ccc([O-])cc1 ZINC000806436543 674376444 /nfs/dbraw/zinc/37/64/44/674376444.db2.gz GAOCUYZCWMDXQP-UHFFFAOYSA-N -1 1 353.300 2.217 20 0 FEADMM CC[C@@H](C)c1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cn1 ZINC000478275175 561163604 /nfs/dbraw/zinc/16/36/04/561163604.db2.gz DNHJYZTVVAQBTH-MRVPVSSYSA-N -1 1 354.370 2.300 20 0 FEADMM CCc1c(C)nn(-c2cccc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2)c1C ZINC000478575837 561170072 /nfs/dbraw/zinc/17/00/72/561170072.db2.gz MFMNBJKXRGBJNX-GFCCVEGCSA-N -1 1 367.457 2.440 20 0 FEADMM Cc1noc(CSc2ccccc2C(=O)N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000478592062 561170448 /nfs/dbraw/zinc/17/04/48/561170448.db2.gz MIRIIAQWYCRFRB-JTQLQIEISA-N -1 1 373.442 2.059 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)o1 ZINC000478786068 561174868 /nfs/dbraw/zinc/17/48/68/561174868.db2.gz ZKQFXISQUBLOKM-OCCSQVGLSA-N -1 1 359.444 2.328 20 0 FEADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000479134907 561182422 /nfs/dbraw/zinc/18/24/22/561182422.db2.gz OXEDUAVDQNCBIQ-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)o1 ZINC000479177674 561183503 /nfs/dbraw/zinc/18/35/03/561183503.db2.gz MTOVUWNJLDMWPI-OLZOCXBDSA-N -1 1 353.371 2.430 20 0 FEADMM O=S(=O)([N-]Cc1nc(-c2ccncc2)no1)c1cc(F)c(F)cc1F ZINC000170939552 546183936 /nfs/dbraw/zinc/18/39/36/546183936.db2.gz CIGJWFBJABESJC-UHFFFAOYSA-N -1 1 370.312 2.027 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1C(=O)[O-] ZINC000479257508 561185937 /nfs/dbraw/zinc/18/59/37/561185937.db2.gz MXFHYGNTAIZLQI-UHFFFAOYSA-N -1 1 366.786 2.419 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(F)(F)F ZINC000479380268 561188567 /nfs/dbraw/zinc/18/85/67/561188567.db2.gz PTUMMVVXAJEQFC-QMMMGPOBSA-N -1 1 356.366 2.285 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000176106182 546407625 /nfs/dbraw/zinc/40/76/25/546407625.db2.gz RLBDSOBYGMKRKC-QMMMGPOBSA-N -1 1 369.393 2.276 20 0 FEADMM COc1cc(NC(=O)Cc2nc(C)sc2C)ccc1[N-]S(C)(=O)=O ZINC000480311215 561207014 /nfs/dbraw/zinc/20/70/14/561207014.db2.gz AALNWRCHYNJQKA-UHFFFAOYSA-N -1 1 369.468 2.321 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)c1 ZINC000176714277 546478834 /nfs/dbraw/zinc/47/88/34/546478834.db2.gz SZYVWEOIUSZIDY-UHFFFAOYSA-N -1 1 351.403 2.222 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1nn[n-]n1 ZINC000176750338 546483158 /nfs/dbraw/zinc/48/31/58/546483158.db2.gz PHHBYGFHKLDUEP-INIZCTEOSA-N -1 1 353.430 2.333 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1nn[n-]n1 ZINC000176751254 546483701 /nfs/dbraw/zinc/48/37/01/546483701.db2.gz QLDFAGGKXLMFKA-HNNXBMFYSA-N -1 1 365.397 2.118 20 0 FEADMM CCC[C@@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1nn[n-]n1 ZINC000176777923 546487001 /nfs/dbraw/zinc/48/70/01/546487001.db2.gz PNAHJCMEEKCLAG-CVEARBPZSA-N -1 1 354.414 2.121 20 0 FEADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177029105 546526228 /nfs/dbraw/zinc/52/62/28/546526228.db2.gz QAURGZXLPIPPRO-RYZVSIALSA-N -1 1 369.446 2.494 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCOCc2ccccc2)c(=O)[n-]1 ZINC000177058122 546534848 /nfs/dbraw/zinc/53/48/48/546534848.db2.gz UADIFUHRQBVVGX-UHFFFAOYSA-N -1 1 361.467 2.066 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000480711055 561214877 /nfs/dbraw/zinc/21/48/77/561214877.db2.gz GKJAJTKIORARIG-UHFFFAOYSA-N -1 1 363.395 2.110 20 0 FEADMM C[C@H](O)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000177427661 546614863 /nfs/dbraw/zinc/61/48/63/546614863.db2.gz XFDBPEOVJUVBTP-LBPRGKRZSA-N -1 1 366.414 2.079 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1F ZINC000178118614 546741826 /nfs/dbraw/zinc/74/18/26/546741826.db2.gz XMWLJPAGJWACRJ-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM COc1cc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1OC ZINC000481435730 561232737 /nfs/dbraw/zinc/23/27/37/561232737.db2.gz AZDWFBPGKZJYOY-UHFFFAOYSA-N -1 1 371.342 2.048 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2O)cc1 ZINC000178594085 546816853 /nfs/dbraw/zinc/81/68/53/546816853.db2.gz NSIGTENOYHQMAO-QZTJIDSGSA-N -1 1 374.462 2.439 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2csc3ccccc23)co1 ZINC000179313498 546929667 /nfs/dbraw/zinc/92/96/67/546929667.db2.gz LKCAMSYABCHHPL-UHFFFAOYSA-N -1 1 364.448 2.375 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)c2ccc(Cl)cc2)no1 ZINC000179989149 547036438 /nfs/dbraw/zinc/03/64/38/547036438.db2.gz MTZBLVZYZGJBHX-UONOGXRCSA-N -1 1 371.846 2.219 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)c1Cl ZINC000180133323 547056969 /nfs/dbraw/zinc/05/69/69/547056969.db2.gz YVHGERBXOTYMIB-LLVKDONJSA-N -1 1 359.810 2.405 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccccc2Cl)c1 ZINC000181032063 547234902 /nfs/dbraw/zinc/23/49/02/547234902.db2.gz RSXDEMQSKRJUHP-UHFFFAOYSA-N -1 1 354.815 2.264 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000181032508 547235444 /nfs/dbraw/zinc/23/54/44/547235444.db2.gz JKNGDHGTXSERKC-BEFAXECRSA-N -1 1 372.446 2.272 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1-n1cnnn1 ZINC000181087438 547246769 /nfs/dbraw/zinc/24/67/69/547246769.db2.gz RVIBWGXMQRJMHD-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM CC(C)c1noc(CCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000181089698 547248598 /nfs/dbraw/zinc/24/85/98/547248598.db2.gz OJXIEJYMNKVZBT-UHFFFAOYSA-N -1 1 370.406 2.275 20 0 FEADMM CC[C@H](C)Oc1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)ccn1 ZINC000181458667 547318490 /nfs/dbraw/zinc/31/84/90/547318490.db2.gz SPKDJGWQLUMXLE-LBPRGKRZSA-N -1 1 352.394 2.425 20 0 FEADMM COc1ccc(-c2noc(CN3CCN(CCCCC(=O)[O-])CC3)n2)cc1 ZINC000181581766 547340245 /nfs/dbraw/zinc/34/02/45/547340245.db2.gz IRJSUBKZNBSCQD-UHFFFAOYSA-N -1 1 374.441 2.118 20 0 FEADMM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000181788427 547381487 /nfs/dbraw/zinc/38/14/87/547381487.db2.gz PUMIZRLXABRSCB-UHFFFAOYSA-N -1 1 368.418 2.476 20 0 FEADMM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182027356 547424730 /nfs/dbraw/zinc/42/47/30/547424730.db2.gz BVEMSPDULLRDTN-LBPRGKRZSA-N -1 1 374.384 2.452 20 0 FEADMM CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc(F)c(F)c([O-])c3F)C2)CC1 ZINC000182877263 547564513 /nfs/dbraw/zinc/56/45/13/547564513.db2.gz HUJGUGIOAIPRQM-GFCCVEGCSA-N -1 1 371.403 2.052 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1 ZINC000484595888 561300821 /nfs/dbraw/zinc/30/08/21/561300821.db2.gz GAWRVJGGVXRCDU-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185006414 547916655 /nfs/dbraw/zinc/91/66/55/547916655.db2.gz XMLBLIWQTOPFNU-RXMQYKEDSA-N -1 1 363.060 2.415 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)nc1-c1ccccc1 ZINC000185049337 547923597 /nfs/dbraw/zinc/92/35/97/547923597.db2.gz HNVJOEWLVJFKER-BETUJISGSA-N -1 1 373.478 2.473 20 0 FEADMM O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cc(F)c([O-])c(F)c1 ZINC000186676948 548173189 /nfs/dbraw/zinc/17/31/89/548173189.db2.gz ZRLVCCNNHDNXFR-UHFFFAOYSA-N -1 1 360.320 2.298 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ncc(C)s2)o1 ZINC000186731700 548181886 /nfs/dbraw/zinc/18/18/86/548181886.db2.gz XKMDRJQSBPQYSZ-SECBINFHSA-N -1 1 358.441 2.303 20 0 FEADMM CCOc1cc(C(=O)NCC2CCN(C(C)=O)CC2)cc(Cl)c1[O-] ZINC000186785188 548191953 /nfs/dbraw/zinc/19/19/53/548191953.db2.gz TVFONJOYFQYKGX-UHFFFAOYSA-N -1 1 354.834 2.433 20 0 FEADMM COc1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)c(Br)c1O ZINC000486194751 561340679 /nfs/dbraw/zinc/34/06/79/561340679.db2.gz KIONLSAWICABDH-RQOWECAXSA-N -1 1 363.171 2.065 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2nc(=O)c3c4c(sc3[nH]2)CCC4)n1 ZINC000195059236 548571259 /nfs/dbraw/zinc/57/12/59/548571259.db2.gz UPZXUAXJSATEGV-UHFFFAOYSA-N -1 1 360.464 2.411 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)o1 ZINC000195071836 548572455 /nfs/dbraw/zinc/57/24/55/548572455.db2.gz VYXQTJXABLZVBE-UHFFFAOYSA-N -1 1 374.422 2.054 20 0 FEADMM CCN(C(=O)[C@@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1)c1ccccc1 ZINC000195177252 548590931 /nfs/dbraw/zinc/59/09/31/548590931.db2.gz NRSOPTGMBHILOZ-GFCCVEGCSA-N -1 1 364.471 2.318 20 0 FEADMM CCN(C(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1)c1ccccc1 ZINC000195177252 548590934 /nfs/dbraw/zinc/59/09/34/548590934.db2.gz NRSOPTGMBHILOZ-GFCCVEGCSA-N -1 1 364.471 2.318 20 0 FEADMM CCN(C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1)c1ccccc1 ZINC000195177252 548590937 /nfs/dbraw/zinc/59/09/37/548590937.db2.gz NRSOPTGMBHILOZ-GFCCVEGCSA-N -1 1 364.471 2.318 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)n[n-]1 ZINC000195176739 548591479 /nfs/dbraw/zinc/59/14/79/548591479.db2.gz HNIPHHQAKBVQBR-UHFFFAOYSA-N -1 1 354.407 2.044 20 0 FEADMM Cc1nnc([C@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)o1 ZINC000195212814 548597668 /nfs/dbraw/zinc/59/76/68/548597668.db2.gz JLHQOCZYOOOQBR-VIFPVBQESA-N -1 1 359.411 2.187 20 0 FEADMM Cc1nnc([C@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)o1 ZINC000195212814 548597671 /nfs/dbraw/zinc/59/76/71/548597671.db2.gz JLHQOCZYOOOQBR-VIFPVBQESA-N -1 1 359.411 2.187 20 0 FEADMM Cn1cc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cn1 ZINC000195476543 548646877 /nfs/dbraw/zinc/64/68/77/548646877.db2.gz IEQXTTBTVKHCIE-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000198452137 548660969 /nfs/dbraw/zinc/66/09/69/548660969.db2.gz ITWFYLWBKTZGHG-UHFFFAOYSA-N -1 1 350.444 2.227 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C12CCCCC2 ZINC000487090131 561363418 /nfs/dbraw/zinc/36/34/18/561363418.db2.gz WXBGLWOXQBBATG-KBPBESRZSA-N -1 1 371.455 2.472 20 0 FEADMM C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000248849393 549513380 /nfs/dbraw/zinc/51/33/80/549513380.db2.gz AJWZKDRBNOIVFD-NHYWBVRUSA-N -1 1 372.874 2.143 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000489548491 561414003 /nfs/dbraw/zinc/41/40/03/561414003.db2.gz MTXAWVODPWDDDI-AWEZNQCLSA-N -1 1 371.290 2.076 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)N1CCC[C@@H](C)C1 ZINC000248892690 549523725 /nfs/dbraw/zinc/52/37/25/549523725.db2.gz SXIFTRKTCWGWFS-VXGBXAGGSA-N -1 1 374.890 2.437 20 0 FEADMM CN1CCC[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)[C@H]1c1cccs1 ZINC000249544963 549602417 /nfs/dbraw/zinc/60/24/17/549602417.db2.gz KABQHLGNMKHBAP-JQWIXIFHSA-N -1 1 371.450 2.117 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(=O)[n-]1 ZINC000253555326 549695484 /nfs/dbraw/zinc/69/54/84/549695484.db2.gz HXQMQKAYPBOHRW-NWANDNLSSA-N -1 1 363.483 2.219 20 0 FEADMM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000261984575 549777175 /nfs/dbraw/zinc/77/71/75/549777175.db2.gz CGWQGUBQBKCIEA-GJZGRUSLSA-N -1 1 354.410 2.289 20 0 FEADMM CCOc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000262643632 549834844 /nfs/dbraw/zinc/83/48/44/549834844.db2.gz HVIMIJKIFHRHHG-CYBMUJFWSA-N -1 1 350.415 2.219 20 0 FEADMM C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@H]1C(=O)[O-] ZINC000263367640 549897751 /nfs/dbraw/zinc/89/77/51/549897751.db2.gz UIBHMYHOZLQWBB-RHSMWYFYSA-N -1 1 362.445 2.406 20 0 FEADMM COc1cccc([C@H]2[C@H](c3ccccc3)CCN2CC(=O)NCC(=O)[O-])c1 ZINC000263565436 549909107 /nfs/dbraw/zinc/90/91/07/549909107.db2.gz FMZBNRPNXQYSFF-RXVVDRJESA-N -1 1 368.433 2.427 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000263582330 549910209 /nfs/dbraw/zinc/91/02/09/549910209.db2.gz YLMHHJUYNZJPSK-QGZVFWFLSA-N -1 1 356.422 2.214 20 0 FEADMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccccc1 ZINC000268644817 550098499 /nfs/dbraw/zinc/09/84/99/550098499.db2.gz SJANWJYZCQGBRD-HUUCEWRRSA-N -1 1 355.456 2.168 20 0 FEADMM CC(C)Cc1cccc([C@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000493324518 561455526 /nfs/dbraw/zinc/45/55/26/561455526.db2.gz WVYIKAVXYBFTDN-NSHDSACASA-N -1 1 350.444 2.149 20 0 FEADMM CC(C)Cc1cccc([C@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000493324518 561455527 /nfs/dbraw/zinc/45/55/27/561455527.db2.gz WVYIKAVXYBFTDN-NSHDSACASA-N -1 1 350.444 2.149 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000270594049 550287254 /nfs/dbraw/zinc/28/72/54/550287254.db2.gz BXFYTQAVUSJCTP-NSHDSACASA-N -1 1 371.445 2.103 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1O ZINC000270611523 550288987 /nfs/dbraw/zinc/28/89/87/550288987.db2.gz MHZASNDLMOKKCD-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(N(C)C)cc1)c1cccs1 ZINC000493951833 561459934 /nfs/dbraw/zinc/45/99/34/561459934.db2.gz DVFJCYVHEIHVQW-AWEZNQCLSA-N -1 1 354.453 2.007 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CO)CC(C)C ZINC000270993562 550329346 /nfs/dbraw/zinc/32/93/46/550329346.db2.gz DWERFVMVDGZCNE-OAHLLOKOSA-N -1 1 358.442 2.008 20 0 FEADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000494333230 561467359 /nfs/dbraw/zinc/46/73/59/561467359.db2.gz SIRNRYGCFRPRMB-UHFFFAOYSA-N -1 1 355.224 2.225 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCCNC(=O)OC(C)(C)C ZINC000272736675 550467856 /nfs/dbraw/zinc/46/78/56/550467856.db2.gz LQLWFBUASLGJKY-UHFFFAOYSA-N -1 1 370.475 2.247 20 0 FEADMM COCc1nnc(S(=O)(=O)CCCc2ccccc2Br)[n-]1 ZINC000273370307 550495775 /nfs/dbraw/zinc/49/57/75/550495775.db2.gz VHTWGXPMPZOLMW-UHFFFAOYSA-N -1 1 374.260 2.120 20 0 FEADMM COCc1nc(S(=O)(=O)CCCc2ccccc2Br)n[n-]1 ZINC000273370307 550495777 /nfs/dbraw/zinc/49/57/77/550495777.db2.gz VHTWGXPMPZOLMW-UHFFFAOYSA-N -1 1 374.260 2.120 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000274210295 550527820 /nfs/dbraw/zinc/52/78/20/550527820.db2.gz QFPQFRSLRJJNCF-MRVPVSSYSA-N -1 1 363.716 2.251 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)[n-]1 ZINC000274880500 550562051 /nfs/dbraw/zinc/56/20/51/550562051.db2.gz CRHTXZCGFZADLC-SECBINFHSA-N -1 1 365.411 2.333 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1 ZINC000274880500 550562052 /nfs/dbraw/zinc/56/20/52/550562052.db2.gz CRHTXZCGFZADLC-SECBINFHSA-N -1 1 365.411 2.333 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)cc(Cl)c1[O-] ZINC000276661085 550582762 /nfs/dbraw/zinc/58/27/62/550582762.db2.gz FVHJUEHONVGXEC-GFCCVEGCSA-N -1 1 352.818 2.281 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC(F)(F)C(F)F ZINC000276679234 550584675 /nfs/dbraw/zinc/58/46/75/550584675.db2.gz BWFTZJWRSQDEQF-UHFFFAOYSA-N -1 1 358.295 2.112 20 0 FEADMM CSCC[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000277007817 550621337 /nfs/dbraw/zinc/62/13/37/550621337.db2.gz MJWMBRGAXHJJDD-LBPRGKRZSA-N -1 1 358.826 2.356 20 0 FEADMM O=c1[nH]c(NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)nc2[nH]ncc21 ZINC000277257694 550648539 /nfs/dbraw/zinc/64/85/39/550648539.db2.gz WISLINNECZGZRV-KBXCAEBGSA-N -1 1 357.389 2.383 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](CO)Cc2ccncc2)cc(Cl)c1[O-] ZINC000277327978 550656908 /nfs/dbraw/zinc/65/69/08/550656908.db2.gz CIDKKYVWOIKVFC-CYBMUJFWSA-N -1 1 350.802 2.173 20 0 FEADMM CCOc1c(Cl)cccc1CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000494976232 561480240 /nfs/dbraw/zinc/48/02/40/561480240.db2.gz PVIIQDYCHJQRGO-UHFFFAOYSA-N -1 1 353.879 2.495 20 0 FEADMM Cc1cnc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c([O-])c1 ZINC000495045355 561481746 /nfs/dbraw/zinc/48/17/46/561481746.db2.gz FBDMUFDUGYYCKR-UHFFFAOYSA-N -1 1 371.412 2.403 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)(C)OC)c1 ZINC000278706969 550813358 /nfs/dbraw/zinc/81/33/58/550813358.db2.gz GHQREUMCYSKTOK-UHFFFAOYSA-N -1 1 358.460 2.176 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c1 ZINC000279218400 550866097 /nfs/dbraw/zinc/86/60/97/550866097.db2.gz FLWYJRAYJPJBQO-GFCCVEGCSA-N -1 1 358.398 2.230 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NCCCCO)c1)OCC(F)(F)F ZINC000279361656 550881316 /nfs/dbraw/zinc/88/13/16/550881316.db2.gz VJOCBOBHEMMVJS-UHFFFAOYSA-N -1 1 350.293 2.005 20 0 FEADMM COc1ccc([C@@H]2[C@H](C(=O)[N-]OCCSC)CCC(=O)N2C)cc1 ZINC000279878486 550938602 /nfs/dbraw/zinc/93/86/02/550938602.db2.gz DYHGXIPJDLQPDL-GDBMZVCRSA-N -1 1 352.456 2.016 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)ccnc1-2 ZINC000279973576 550948512 /nfs/dbraw/zinc/94/85/12/550948512.db2.gz YWACDTHNQQOEKM-MPGAHLTBSA-N -1 1 363.421 2.034 20 0 FEADMM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000280139966 550964789 /nfs/dbraw/zinc/96/47/89/550964789.db2.gz FBCVTXCGNKBWPC-BBRMVZONSA-N -1 1 371.409 2.124 20 0 FEADMM Cn1nc(C(F)F)c2cc(C(=O)Nc3nc(SCCO)n[n-]3)sc21 ZINC000280561546 551007865 /nfs/dbraw/zinc/00/78/65/551007865.db2.gz LSOKTFJRVGNKPM-UHFFFAOYSA-N -1 1 374.398 2.027 20 0 FEADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000280919896 551045739 /nfs/dbraw/zinc/04/57/39/551045739.db2.gz JFUAHQRIWXQQSH-KRWDZBQOSA-N -1 1 352.390 2.229 20 0 FEADMM CN1CC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000281067386 551059973 /nfs/dbraw/zinc/05/99/73/551059973.db2.gz SNUWUYBJQNMCLL-IAGOWNOFSA-N -1 1 360.360 2.415 20 0 FEADMM CCOc1ncccc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281397262 551092215 /nfs/dbraw/zinc/09/22/15/551092215.db2.gz QEVMGTMVSXWCQX-UHFFFAOYSA-N -1 1 374.363 2.403 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCO1 ZINC000281453000 551099213 /nfs/dbraw/zinc/09/92/13/551099213.db2.gz FISYKOUAACPJBW-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM COc1ccc(NC(=O)c2cc(C3CC3)no2)cc1[N-]S(C)(=O)=O ZINC000281617391 551121079 /nfs/dbraw/zinc/12/10/79/551121079.db2.gz AKWOBSBOKOZXIX-UHFFFAOYSA-N -1 1 351.384 2.184 20 0 FEADMM COCc1cccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281686488 551130856 /nfs/dbraw/zinc/13/08/56/551130856.db2.gz LCRSWJRKEJOHRM-UHFFFAOYSA-N -1 1 358.360 2.364 20 0 FEADMM O=C(CCc1ccccc1O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281742215 551137839 /nfs/dbraw/zinc/13/78/39/551137839.db2.gz OVMPXCIUBOFFNW-UHFFFAOYSA-N -1 1 358.360 2.242 20 0 FEADMM COc1ccccc1NCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281843472 551147100 /nfs/dbraw/zinc/14/71/00/551147100.db2.gz XLFBOWOJSXRSAM-UHFFFAOYSA-N -1 1 373.375 2.024 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ncccc1Cl ZINC000497324305 561498320 /nfs/dbraw/zinc/49/83/20/561498320.db2.gz HLOYLPCOTVAMMI-UHFFFAOYSA-N -1 1 367.814 2.134 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H](C)CO)c1 ZINC000497428494 561500828 /nfs/dbraw/zinc/50/08/28/561500828.db2.gz JAFNZLNYSSOTOE-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CCC[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1nn[n-]n1 ZINC000282640267 551254816 /nfs/dbraw/zinc/25/48/16/551254816.db2.gz GXGSKRPOGDIAQY-LLVKDONJSA-N -1 1 365.235 2.046 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000282740227 551265469 /nfs/dbraw/zinc/26/54/69/551265469.db2.gz IVYNBXCDSHBGAJ-UHFFFAOYSA-N -1 1 356.378 2.268 20 0 FEADMM Cc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)cs2)o1 ZINC000282806212 551272516 /nfs/dbraw/zinc/27/25/16/551272516.db2.gz AULMDOYVIIAXRY-JTQLQIEISA-N -1 1 359.411 2.143 20 0 FEADMM O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282815477 551273712 /nfs/dbraw/zinc/27/37/12/551273712.db2.gz BSQBGWJPAJAROG-SECBINFHSA-N -1 1 371.224 2.190 20 0 FEADMM O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282830657 551275174 /nfs/dbraw/zinc/27/51/74/551275174.db2.gz DKBMCXKOVBNBJV-AWEZNQCLSA-N -1 1 356.426 2.439 20 0 FEADMM Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282879754 551280964 /nfs/dbraw/zinc/28/09/64/551280964.db2.gz JIWOCIBEYXCEQW-CYBMUJFWSA-N -1 1 353.382 2.081 20 0 FEADMM CCOc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282901346 551283639 /nfs/dbraw/zinc/28/36/39/551283639.db2.gz LPPVHIVDXSGOQR-JTQLQIEISA-N -1 1 350.806 2.170 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000282923263 551285926 /nfs/dbraw/zinc/28/59/26/551285926.db2.gz YNWLFFVPHAXWTC-UHFFFAOYSA-N -1 1 350.371 2.175 20 0 FEADMM O=C(NC1CCN(Cc2cccnc2)CC1)c1s[n-]c(=O)c1Cl ZINC000283144676 551318600 /nfs/dbraw/zinc/31/86/00/551318600.db2.gz SHHBVUMPSVLXRI-UHFFFAOYSA-N -1 1 352.847 2.292 20 0 FEADMM CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283163054 551321610 /nfs/dbraw/zinc/32/16/10/551321610.db2.gz GKNGMCRTHXATSH-UONOGXRCSA-N -1 1 358.442 2.397 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000284657117 551600656 /nfs/dbraw/zinc/60/06/56/551600656.db2.gz MNEZRYBVQPEESY-UHFFFAOYSA-N -1 1 360.233 2.354 20 0 FEADMM CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000285254039 551727113 /nfs/dbraw/zinc/72/71/13/551727113.db2.gz UWSSHSCPWJOSCG-CYBMUJFWSA-N -1 1 371.846 2.161 20 0 FEADMM CC(C)[C@](C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(N)=O ZINC000285414372 551752697 /nfs/dbraw/zinc/75/26/97/551752697.db2.gz VDJTUKMZCSZSKU-LBPRGKRZSA-N -1 1 357.234 2.311 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285888629 551823934 /nfs/dbraw/zinc/82/39/34/551823934.db2.gz RUQCJEZWURWGIY-SJORKVTESA-N -1 1 368.437 2.265 20 0 FEADMM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000286494619 551892440 /nfs/dbraw/zinc/89/24/40/551892440.db2.gz AJFRPSCHGYOXFI-QMMMGPOBSA-N -1 1 363.716 2.148 20 0 FEADMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000286494614 551892512 /nfs/dbraw/zinc/89/25/12/551892512.db2.gz AJFRPSCHGYOXFI-MRVPVSSYSA-N -1 1 363.716 2.148 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1nnc2n1CCC2 ZINC000286856148 551933834 /nfs/dbraw/zinc/93/38/34/551933834.db2.gz LIIHMFPCAMOHMV-SSDOTTSWSA-N -1 1 362.789 2.195 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000286940262 551942861 /nfs/dbraw/zinc/94/28/61/551942861.db2.gz VVXDWCRAEZTVPZ-NXEZZACHSA-N -1 1 368.377 2.286 20 0 FEADMM Cc1ccc([C@H](CNC(=O)C(=O)c2ccc([O-])cc2)N2CCOCC2)cc1 ZINC000286969245 551945679 /nfs/dbraw/zinc/94/56/79/551945679.db2.gz BFLKACGMRPIFSO-IBGZPJMESA-N -1 1 368.433 2.073 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)ccnc1-2 ZINC000287298574 551986740 /nfs/dbraw/zinc/98/67/40/551986740.db2.gz UZCGRRYSCBGFAK-PBZAEIMMSA-N -1 1 351.410 2.384 20 0 FEADMM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)c1ccc([O-])cc1 ZINC000287486160 552010341 /nfs/dbraw/zinc/01/03/41/552010341.db2.gz JEJYUMFWCPOVOQ-QGZVFWFLSA-N -1 1 368.389 2.009 20 0 FEADMM CCCOc1cccc(CCNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287680422 552033667 /nfs/dbraw/zinc/03/36/67/552033667.db2.gz QSROQKJGZUPWSJ-QJOMJCCJSA-N -1 1 353.426 2.495 20 0 FEADMM C[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccc2c(c1)CCC(=O)N2 ZINC000287685433 552034053 /nfs/dbraw/zinc/03/40/53/552034053.db2.gz QXPXDDVRWPRVJT-GDLMESKLSA-N -1 1 364.409 2.109 20 0 FEADMM CCCCC[C@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(C)(C)C ZINC000287747882 552041819 /nfs/dbraw/zinc/04/18/19/552041819.db2.gz SURJGBVQWUREAD-HSMAQGNYSA-N -1 1 359.474 2.392 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)co1 ZINC000499426856 561550759 /nfs/dbraw/zinc/55/07/59/561550759.db2.gz GDCDBFUUBJHFQG-UHFFFAOYSA-N -1 1 368.459 2.416 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000287820374 552051048 /nfs/dbraw/zinc/05/10/48/552051048.db2.gz MZVSEEULMTYKMW-HZGVNTEJSA-N -1 1 366.283 2.081 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)ccnc1-2 ZINC000287821144 552051280 /nfs/dbraw/zinc/05/12/80/552051280.db2.gz ZAQUKRFBFCHOTQ-LGUJYEAASA-N -1 1 354.241 2.389 20 0 FEADMM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000287961227 552068256 /nfs/dbraw/zinc/06/82/56/552068256.db2.gz AIVYXJKYSCBYSF-NSHDSACASA-N -1 1 351.414 2.424 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C(=O)NCC(C)(C)C3CCCCC3)ccnc1-2 ZINC000288251962 552119496 /nfs/dbraw/zinc/11/94/96/552119496.db2.gz WJADDCDEUCPDQF-HAHDFKILSA-N -1 1 357.458 2.003 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000288256259 552120287 /nfs/dbraw/zinc/12/02/87/552120287.db2.gz LLGBZGJKXPDSNY-NSHDSACASA-N -1 1 367.243 2.239 20 0 FEADMM Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)c(O[C@H]2CCOC2)c1 ZINC000288448890 552155186 /nfs/dbraw/zinc/15/51/86/552155186.db2.gz PNFCNRBZTLZPTJ-KRWDZBQOSA-N -1 1 355.390 2.367 20 0 FEADMM Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)[nH]n2)o1 ZINC000500112419 561566206 /nfs/dbraw/zinc/56/62/06/561566206.db2.gz UIKVWCNMAKSBTH-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2COc3ccccc32)c(=O)[n-]1 ZINC000289152394 552273765 /nfs/dbraw/zinc/27/37/65/552273765.db2.gz HQFQFOPJNULWTG-GFCCVEGCSA-N -1 1 359.451 2.438 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1nc2ccccc2n1C(F)F ZINC000289259070 552290584 /nfs/dbraw/zinc/29/05/84/552290584.db2.gz BUGBMURJOCEODY-SSDOTTSWSA-N -1 1 371.369 2.350 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000289259073 552290660 /nfs/dbraw/zinc/29/06/60/552290660.db2.gz BUGBMURJOCEODY-ZETCQYMHSA-N -1 1 371.369 2.350 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)no1 ZINC000289654540 552356606 /nfs/dbraw/zinc/35/66/06/552356606.db2.gz TXPONHVDVXTBEB-SECBINFHSA-N -1 1 361.370 2.232 20 0 FEADMM CN(C)c1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000289771316 552375793 /nfs/dbraw/zinc/37/57/93/552375793.db2.gz IVSSVIAORHKGBL-LLVKDONJSA-N -1 1 373.379 2.070 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1F ZINC000290576931 552501396 /nfs/dbraw/zinc/50/13/96/552501396.db2.gz VFPKZABLLPLSSM-UHFFFAOYSA-N -1 1 359.354 2.330 20 0 FEADMM CON(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000291113945 552588326 /nfs/dbraw/zinc/58/83/26/552588326.db2.gz TZNGOKZGRNCWIH-UHFFFAOYSA-N -1 1 371.231 2.027 20 0 FEADMM O=C(C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccc([O-])cc1 ZINC000291147455 552592919 /nfs/dbraw/zinc/59/29/19/552592919.db2.gz IDQRCTQMJNTMKQ-OAQYLSRUSA-N -1 1 353.418 2.419 20 0 FEADMM O=C(/C=C/c1cncc(F)c1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291364830 552618754 /nfs/dbraw/zinc/61/87/54/552618754.db2.gz CBOGVEJSYMXHHX-AAOUONPWSA-N -1 1 359.323 2.151 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(Br)c1)c1nn[n-]n1 ZINC000291617635 552643857 /nfs/dbraw/zinc/64/38/57/552643857.db2.gz GPDARCJJUHWZEW-ZJUUUORDSA-N -1 1 352.236 2.328 20 0 FEADMM COc1ccc([C@@H]2[C@H](C(=O)[N-]OC/C=C/Cl)CCC(=O)N2C)cc1 ZINC000291745010 552657501 /nfs/dbraw/zinc/65/75/01/552657501.db2.gz GOBORRLAAOGMGB-KZCMXTPPSA-N -1 1 352.818 2.405 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000291901728 552673235 /nfs/dbraw/zinc/67/32/35/552673235.db2.gz JDZHSKHUCCHNEX-YMTOWFKASA-N -1 1 371.436 2.109 20 0 FEADMM COc1cccc(NC(=O)CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292090036 552692782 /nfs/dbraw/zinc/69/27/82/552692782.db2.gz GSXZSSUKNQSDLX-BXUZGUMPSA-N -1 1 373.375 2.165 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](C)c2c(C)noc2C)c1 ZINC000292177877 552701705 /nfs/dbraw/zinc/70/17/05/552701705.db2.gz JCXCKJMXKJQSKB-VIFPVBQESA-N -1 1 367.427 2.037 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CSc1ccncc1 ZINC000292557836 552738168 /nfs/dbraw/zinc/73/81/68/552738168.db2.gz NITKLRACZGFCAS-ZYHUDNBSSA-N -1 1 361.389 2.232 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000292565195 552738664 /nfs/dbraw/zinc/73/86/64/552738664.db2.gz OEEOUOFYCKUEJL-UHFFFAOYSA-N -1 1 373.478 2.036 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2OC)cc1[N-]S(C)(=O)=O ZINC000292761455 552756126 /nfs/dbraw/zinc/75/61/26/552756126.db2.gz KJAMAFJGXQTKAX-OCCSQVGLSA-N -1 1 356.444 2.210 20 0 FEADMM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000293046653 552783835 /nfs/dbraw/zinc/78/38/35/552783835.db2.gz RSFLHDIMTOIMHQ-VIFPVBQESA-N -1 1 368.286 2.219 20 0 FEADMM CCCCN(C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)[C@@H]1CCC[C@@H](C)C1 ZINC000293390239 552818622 /nfs/dbraw/zinc/81/86/22/552818622.db2.gz GENOZUPNNXHRBY-XQKIPLBBSA-N -1 1 371.485 2.488 20 0 FEADMM CC(C)c1nn(C)cc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000293615440 552840625 /nfs/dbraw/zinc/84/06/25/552840625.db2.gz CZDSUERKVTYPNM-ZYHUDNBSSA-N -1 1 360.380 2.215 20 0 FEADMM CCC(CC)(CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)OC ZINC000293672692 552845827 /nfs/dbraw/zinc/84/58/27/552845827.db2.gz MRHGHCAHGKKDJM-UHFFFAOYSA-N -1 1 373.475 2.393 20 0 FEADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c(=O)[nH]1 ZINC000293861624 552863328 /nfs/dbraw/zinc/86/33/28/552863328.db2.gz KPBPMUOADDFELX-GHMZBOCLSA-N -1 1 359.348 2.076 20 0 FEADMM COc1cccc(OC)c1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000293976257 552872384 /nfs/dbraw/zinc/87/23/84/552872384.db2.gz VBSOGKURQYJRHJ-GHMZBOCLSA-N -1 1 374.359 2.375 20 0 FEADMM COc1ccc(OC)c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000294019642 552875737 /nfs/dbraw/zinc/87/57/37/552875737.db2.gz YVPQVRGXJCCHLJ-ZWNOBZJWSA-N -1 1 374.359 2.375 20 0 FEADMM CC(C)(C)O[C@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000294350472 552899114 /nfs/dbraw/zinc/89/91/14/552899114.db2.gz SMQYTDHJXXZESB-GJZGRUSLSA-N -1 1 358.442 2.360 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000295143015 552962614 /nfs/dbraw/zinc/96/26/14/552962614.db2.gz MOCWMINJEPOTER-BEAPCOKYSA-N -1 1 360.483 2.420 20 0 FEADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295212484 552970395 /nfs/dbraw/zinc/97/03/95/552970395.db2.gz XIFKULSERPQVJF-JTQLQIEISA-N -1 1 365.459 2.003 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000502014481 561610035 /nfs/dbraw/zinc/61/00/35/561610035.db2.gz KBLCSWCIHHYTPU-UHFFFAOYSA-N -1 1 355.437 2.037 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(C4CC4)C[C@H](C)C3)n2)cc1 ZINC000295510456 553018473 /nfs/dbraw/zinc/01/84/73/553018473.db2.gz HNSFFYCDFRBKFL-AWEZNQCLSA-N -1 1 370.453 2.143 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1cscc1Br ZINC000295719530 553049928 /nfs/dbraw/zinc/04/99/28/553049928.db2.gz QFTIZQZCTGQVAR-UHFFFAOYSA-N -1 1 350.234 2.443 20 0 FEADMM Cc1ccn2ncc(C(=O)N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000296029823 553092616 /nfs/dbraw/zinc/09/26/16/553092616.db2.gz MLHZAGQIYMWAAL-LBPRGKRZSA-N -1 1 368.359 2.173 20 0 FEADMM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000298199778 553397343 /nfs/dbraw/zinc/39/73/43/553397343.db2.gz WSZJVNGZOGKRFU-MRXNPFEDSA-N -1 1 367.409 2.387 20 0 FEADMM C[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)[C@H]1OCCc2sccc21 ZINC000298357931 553416132 /nfs/dbraw/zinc/41/61/32/553416132.db2.gz HYQVDHCIZVVBKF-KZZGJFFQSA-N -1 1 357.439 2.227 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@@H](O)C2)c1 ZINC000298507877 553434026 /nfs/dbraw/zinc/43/40/26/553434026.db2.gz UBUWFVIOMPNCIK-GASCZTMLSA-N -1 1 374.462 2.357 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000299130049 553519581 /nfs/dbraw/zinc/51/95/81/553519581.db2.gz XLHDBTVVFQYOET-DVVUODLYSA-N -1 1 366.343 2.025 20 0 FEADMM CCc1nnsc1C(=O)[N-]c1n[nH]c(-c2ccc(OC)cc2OC)n1 ZINC000299529921 553576425 /nfs/dbraw/zinc/57/64/25/553576425.db2.gz NRSVBPWASXGVDN-UHFFFAOYSA-N -1 1 360.399 2.155 20 0 FEADMM Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000299646009 553595333 /nfs/dbraw/zinc/59/53/33/553595333.db2.gz WFWJBKBSFYSWDO-UHFFFAOYSA-N -1 1 363.395 2.171 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000504516703 561659192 /nfs/dbraw/zinc/65/91/92/561659192.db2.gz XEJZYLWRGOEXCZ-UHFFFAOYSA-N -1 1 354.378 2.063 20 0 FEADMM CCc1nc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c(C)o1 ZINC000505406512 561670520 /nfs/dbraw/zinc/67/05/20/561670520.db2.gz YLBFARKBYKWWGV-UHFFFAOYSA-N -1 1 353.400 2.178 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCC(F)(F)C1 ZINC000313287657 553757310 /nfs/dbraw/zinc/75/73/10/553757310.db2.gz FTDNFRZFIFMMEV-UHFFFAOYSA-N -1 1 353.106 2.478 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(OC)c1 ZINC000325785466 553777889 /nfs/dbraw/zinc/77/78/89/553777889.db2.gz HPVHXSFCXMBUBL-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000326764499 553783183 /nfs/dbraw/zinc/78/31/83/553783183.db2.gz PCLIMAVHEMCUNA-UHFFFAOYSA-N -1 1 366.351 2.244 20 0 FEADMM COCCOc1cccc(CC(=O)Nc2cc(C(=O)OC)ccc2[O-])c1 ZINC000505732788 561678861 /nfs/dbraw/zinc/67/88/61/561678861.db2.gz YRJWBMPVUPUIOC-UHFFFAOYSA-N -1 1 359.378 2.385 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@@H]2CCCCN12 ZINC000328789335 553822385 /nfs/dbraw/zinc/82/23/85/553822385.db2.gz KRKPGZJJQZLESL-SFYZADRCSA-N -1 1 369.295 2.487 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)c1 ZINC000506808397 561708981 /nfs/dbraw/zinc/70/89/81/561708981.db2.gz XHCZRMDCOVQXSQ-UHFFFAOYSA-N -1 1 364.423 2.305 20 0 FEADMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccc1F ZINC000507644465 561736382 /nfs/dbraw/zinc/73/63/82/561736382.db2.gz LRCKMBWZZVXYEE-UHFFFAOYSA-N -1 1 371.411 2.233 20 0 FEADMM O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507877767 561744141 /nfs/dbraw/zinc/74/41/41/561744141.db2.gz WTJIBPKLHDLIQW-LLVKDONJSA-N -1 1 357.345 2.324 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@]1(C)CCCc2ccccc21 ZINC000508083477 561750770 /nfs/dbraw/zinc/75/07/70/561750770.db2.gz KXRYNYDMFNATOP-QGZVFWFLSA-N -1 1 363.439 2.116 20 0 FEADMM O=S(=O)([N-]c1nc(Cc2cccc(F)c2)n[nH]1)c1cncc(Cl)c1 ZINC000508088294 561751014 /nfs/dbraw/zinc/75/10/14/561751014.db2.gz ZQIUAVDCFDGLIM-UHFFFAOYSA-N -1 1 367.793 2.384 20 0 FEADMM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000330605918 554145128 /nfs/dbraw/zinc/14/51/28/554145128.db2.gz MYAWJFAJCNRURK-QMMMGPOBSA-N -1 1 359.300 2.054 20 0 FEADMM COc1ccc(C2(NC(=O)CNC(=O)c3ncccc3[O-])CCCC2)cc1 ZINC000508361730 561760044 /nfs/dbraw/zinc/76/00/44/561760044.db2.gz LOLCTRWYFMQTKV-UHFFFAOYSA-N -1 1 369.421 2.111 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000508370417 561760154 /nfs/dbraw/zinc/76/01/54/561760154.db2.gz UYSNGSXJXUHLMY-JTQLQIEISA-N -1 1 362.455 2.148 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508380060 561760783 /nfs/dbraw/zinc/76/07/83/561760783.db2.gz HFCVMAPTOGMAAQ-LBPRGKRZSA-N -1 1 361.829 2.260 20 0 FEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)no1 ZINC000331274348 554239707 /nfs/dbraw/zinc/23/97/07/554239707.db2.gz NCJFQAAIFDBPEL-UHFFFAOYSA-N -1 1 350.322 2.005 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)[C@H](O)C3)c2)c1 ZINC000509312012 561794753 /nfs/dbraw/zinc/79/47/53/561794753.db2.gz VESQKCPPZWKRLN-KBXCAEBGSA-N -1 1 374.462 2.249 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000509071420 561783695 /nfs/dbraw/zinc/78/36/95/561783695.db2.gz YILAXGLEURVWJQ-UHFFFAOYSA-N -1 1 363.464 2.400 20 0 FEADMM CN1CC[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC1=O ZINC000331575030 554287867 /nfs/dbraw/zinc/28/78/67/554287867.db2.gz WEUZFRGBFAHKEZ-ZDUSSCGKSA-N -1 1 373.453 2.262 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)co1 ZINC000331742003 554319698 /nfs/dbraw/zinc/31/96/98/554319698.db2.gz BCJLFMBHWUWHEV-QMMMGPOBSA-N -1 1 355.441 2.021 20 0 FEADMM COC1([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000331963914 554353523 /nfs/dbraw/zinc/35/35/23/554353523.db2.gz KRIRLQZDFWTIRK-NSHDSACASA-N -1 1 358.460 2.044 20 0 FEADMM CO[C@H](C)c1nsc(=NCCCN2CCN(c3ccccc3)CC2)[n-]1 ZINC000509695245 561810767 /nfs/dbraw/zinc/81/07/67/561810767.db2.gz COUYEEWNNNRUKO-OAHLLOKOSA-N -1 1 361.515 2.292 20 0 FEADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000332526722 554463660 /nfs/dbraw/zinc/46/36/60/554463660.db2.gz CPESWEAGLNHZCE-CQSZACIVSA-N -1 1 358.438 2.072 20 0 FEADMM Cc1ccc(C(=O)N2CCC(NC(=O)c3ncc(C)cc3[O-])CC2)cc1 ZINC000332572714 554474059 /nfs/dbraw/zinc/47/40/59/554474059.db2.gz XUEXFDYTIJGONY-UHFFFAOYSA-N -1 1 353.422 2.439 20 0 FEADMM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000510247022 561829616 /nfs/dbraw/zinc/82/96/16/561829616.db2.gz WCWIYPJLQQJSBN-HNNXBMFYSA-N -1 1 353.353 2.488 20 0 FEADMM O=C(N[C@H]1CCCOC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000333082240 554569140 /nfs/dbraw/zinc/56/91/40/554569140.db2.gz QTGQWRWMIMZXMB-YJBOKZPZSA-N -1 1 368.433 2.445 20 0 FEADMM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000333125891 554576030 /nfs/dbraw/zinc/57/60/30/554576030.db2.gz HXHXJRWAIOCMIN-UKRRQHHQSA-N -1 1 368.437 2.234 20 0 FEADMM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000333125896 554576076 /nfs/dbraw/zinc/57/60/76/554576076.db2.gz HXHXJRWAIOCMIN-ZFWWWQNUSA-N -1 1 368.437 2.234 20 0 FEADMM Fc1ccccc1CN=c1ccc(N2CCO[C@]3(CCCOC3)C2)n[n-]1 ZINC000333514878 554619999 /nfs/dbraw/zinc/61/99/99/554619999.db2.gz JRVSQLGJIBYIJY-LJQANCHMSA-N -1 1 358.417 2.614 20 0 FEADMM O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1ccc(=NCc2ccccc2F)[n-]n1 ZINC000333542451 554622580 /nfs/dbraw/zinc/62/25/80/554622580.db2.gz OBWGNBLBEMVWPH-CGTJXYLNSA-N -1 1 372.444 2.594 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000348487054 554686491 /nfs/dbraw/zinc/68/64/91/554686491.db2.gz ZVUCMEACHSTCCN-VIFPVBQESA-N -1 1 357.267 2.092 20 0 FEADMM O=C(c1nc[n-]c1-c1nc([C@@H]2CC(=O)N(C3CC3)C2)no1)c1ccccc1 ZINC000350071466 554758482 /nfs/dbraw/zinc/75/84/82/554758482.db2.gz UETCWMIZYAFPNW-GFCCVEGCSA-N -1 1 363.377 2.169 20 0 FEADMM COc1ccc(-c2nc(-c3cccc(NS(C)(=O)=O)c3)no2)c([O-])c1 ZINC000350581846 554799940 /nfs/dbraw/zinc/79/99/40/554799940.db2.gz PMCJHWILASMAFW-UHFFFAOYSA-N -1 1 361.379 2.489 20 0 FEADMM C[C@]1(c2ccc(-c3noc(-c4ccc([O-])cc4F)n3)cc2)NC(=O)NC1=O ZINC000350586009 554800318 /nfs/dbraw/zinc/80/03/18/554800318.db2.gz QUVIXYMOMVVIRY-GOSISDBHSA-N -1 1 368.324 2.303 20 0 FEADMM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cnn1-c1ccc(=O)[nH]n1 ZINC000350822334 554816413 /nfs/dbraw/zinc/81/64/13/554816413.db2.gz DYRJEASUHZWJHP-UHFFFAOYSA-N -1 1 354.301 2.238 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(C3(c4ccc(F)cc4)CC3)no2)o1 ZINC000351313132 554850802 /nfs/dbraw/zinc/85/08/02/554850802.db2.gz QVZUAHNAFONXBW-UHFFFAOYSA-N -1 1 363.370 2.457 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1-c1ccccc1C ZINC000362781662 554988089 /nfs/dbraw/zinc/98/80/89/554988089.db2.gz OMGCYKXMNXMATF-AWEZNQCLSA-N -1 1 351.414 2.022 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC2(C3CC3)CCOCC2)c(=O)[n-]1 ZINC000362931825 555000349 /nfs/dbraw/zinc/00/03/49/555000349.db2.gz MEUHOBYDKGRPIK-UHFFFAOYSA-N -1 1 351.472 2.221 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)o1 ZINC000363046849 555017807 /nfs/dbraw/zinc/01/78/07/555017807.db2.gz GCHXWFQYNMERCJ-CQSZACIVSA-N -1 1 366.414 2.174 20 0 FEADMM O=C(NCc1cc(Br)c2c(c1)OCCO2)c1ncccc1[O-] ZINC000511743312 561879539 /nfs/dbraw/zinc/87/95/39/561879539.db2.gz MLLNOFWNDOUMAI-UHFFFAOYSA-N -1 1 365.183 2.251 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1OC ZINC000363105665 555031940 /nfs/dbraw/zinc/03/19/40/555031940.db2.gz XZRMNOATCAEEJU-UHFFFAOYSA-N -1 1 360.395 2.290 20 0 FEADMM O=C(c1cc(Br)ccc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000363165788 555043786 /nfs/dbraw/zinc/04/37/86/555043786.db2.gz JRZLSPTYBVCHJZ-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3CC[C@H]3C)c2)n1 ZINC000511891407 561884471 /nfs/dbraw/zinc/88/44/71/561884471.db2.gz ZJPGWXOHOGAABA-RISCZKNCSA-N -1 1 357.414 2.246 20 0 FEADMM CN(CCOc1ccccc1Cl)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000511948419 561886362 /nfs/dbraw/zinc/88/63/62/561886362.db2.gz MBPIBDNKRTXCML-UHFFFAOYSA-N -1 1 360.801 2.478 20 0 FEADMM COC(=O)CC[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1 ZINC000512034657 561889708 /nfs/dbraw/zinc/88/97/08/561889708.db2.gz WDRQZEGPEAIVDC-HNNXBMFYSA-N -1 1 368.393 2.098 20 0 FEADMM CO[C@@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(Cl)cc1 ZINC000512053801 561890530 /nfs/dbraw/zinc/89/05/30/561890530.db2.gz FVOVQTHYMBUZMO-AWEZNQCLSA-N -1 1 360.801 2.445 20 0 FEADMM CC(=O)NCc1ccc([C@@H]2CCCN2CC(=O)[N-]OCc2ccccc2)o1 ZINC000364069316 555244148 /nfs/dbraw/zinc/24/41/48/555244148.db2.gz AAFUMKLPYFMYMG-SFHVURJKSA-N -1 1 371.437 2.301 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CCN(CC(F)(F)F)C2)c1Br ZINC000616009235 555262857 /nfs/dbraw/zinc/26/28/57/555262857.db2.gz SQIZSSGQJLEWOF-ZETCQYMHSA-N -1 1 355.158 2.303 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CN(C)C(=O)c3ccccc32)c1Br ZINC000616008807 555263184 /nfs/dbraw/zinc/26/31/84/555263184.db2.gz JDDPSQOKLFZVEW-NSHDSACASA-N -1 1 363.215 2.289 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)c1Br ZINC000616011168 555263431 /nfs/dbraw/zinc/26/34/31/555263431.db2.gz KZAQBEQUJIMMEN-BBBLOLIVSA-N -1 1 355.236 2.114 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000364366764 555300084 /nfs/dbraw/zinc/30/00/84/555300084.db2.gz CNUNHFNIGNTJJF-OAQYLSRUSA-N -1 1 363.417 2.133 20 0 FEADMM C[C@H](CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1)NC(N)=O ZINC000616798538 555339416 /nfs/dbraw/zinc/33/94/16/555339416.db2.gz BPAYQLRKHIHJOA-ZCFIWIBFSA-N -1 1 372.248 2.286 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC(Cc3ccc(F)c(F)c3)C1)c2=O ZINC000364693485 555376491 /nfs/dbraw/zinc/37/64/91/555376491.db2.gz HGWNOTABHQPCIT-UHFFFAOYSA-N -1 1 358.348 2.267 20 0 FEADMM Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000364944660 555445918 /nfs/dbraw/zinc/44/59/18/555445918.db2.gz GYTKWILEMUAAJN-UHFFFAOYSA-N -1 1 372.406 2.054 20 0 FEADMM Cc1cnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)o1 ZINC000365160732 555498646 /nfs/dbraw/zinc/49/86/46/555498646.db2.gz RNFGRBZVLRCOQC-UHFFFAOYSA-N -1 1 361.379 2.488 20 0 FEADMM CC(=O)c1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)o1 ZINC000365226349 555515950 /nfs/dbraw/zinc/51/59/50/555515950.db2.gz ZZHBVPCLAUGZPK-ZDUSSCGKSA-N -1 1 363.736 2.307 20 0 FEADMM O=C(NCC1(O)CCC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000365692188 555641752 /nfs/dbraw/zinc/64/17/52/555641752.db2.gz RUIPTASVGNITAS-KRWDZBQOSA-N -1 1 368.433 2.181 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2c(cccc2NC(C)=O)C1 ZINC000365811419 555672661 /nfs/dbraw/zinc/67/26/61/555672661.db2.gz CSSGDPWVSRMXRA-UHFFFAOYSA-N -1 1 372.450 2.369 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cccc(CO)c1 ZINC000365885320 555692241 /nfs/dbraw/zinc/69/22/41/555692241.db2.gz HSPLDBPUBOQIIF-CQSZACIVSA-N -1 1 361.764 2.004 20 0 FEADMM C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1=O ZINC000513541280 561942270 /nfs/dbraw/zinc/94/22/70/561942270.db2.gz PPUHVYTTWDIEEQ-DOMZBBRYSA-N -1 1 357.385 2.408 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)o1 ZINC000366365410 555822756 /nfs/dbraw/zinc/82/27/56/555822756.db2.gz BTUMCSKZQPBYNU-LBPRGKRZSA-N -1 1 357.428 2.226 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(-c3nncn3C)c1)OCO2 ZINC000366446681 555846503 /nfs/dbraw/zinc/84/65/03/555846503.db2.gz JXRFJIWRFXRJDD-UHFFFAOYSA-N -1 1 372.406 2.320 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CO)CC1CCCC1 ZINC000513937642 561955517 /nfs/dbraw/zinc/95/55/17/561955517.db2.gz JSBRXGZMUVUDAB-HNNXBMFYSA-N -1 1 360.458 2.042 20 0 FEADMM CCN=c1[nH]cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000366482377 555856928 /nfs/dbraw/zinc/85/69/28/555856928.db2.gz WPSBZPWCTYZBEH-UHFFFAOYSA-N -1 1 359.451 3.016 20 0 FEADMM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366654810 555900158 /nfs/dbraw/zinc/90/01/58/555900158.db2.gz MKYVTPAJVPJQDH-LBPRGKRZSA-N -1 1 372.816 2.457 20 0 FEADMM CC(=O)N(C)CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000620310705 555917681 /nfs/dbraw/zinc/91/76/81/555917681.db2.gz UXVXCPSZBKISNF-UHFFFAOYSA-N -1 1 357.233 2.318 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1-c1ccncc1 ZINC000366732829 555920728 /nfs/dbraw/zinc/92/07/28/555920728.db2.gz ADGNMBQQWCGGGB-UHFFFAOYSA-N -1 1 372.406 2.352 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1-c1ccncc1 ZINC000366767683 555929385 /nfs/dbraw/zinc/92/93/85/555929385.db2.gz XWIYZVHYLUNQBO-UHFFFAOYSA-N -1 1 369.406 2.076 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n[nH]c1-c1ccncc1 ZINC000367006991 555995623 /nfs/dbraw/zinc/99/56/23/555995623.db2.gz KXTVAAIFNPHMBR-UHFFFAOYSA-N -1 1 369.406 2.076 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000367545780 556079242 /nfs/dbraw/zinc/07/92/42/556079242.db2.gz YPQMHHAEPWRVNT-UHFFFAOYSA-N -1 1 374.422 2.428 20 0 FEADMM C[C@H]1CCN(Cc2nnc3n2CCCCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000367862006 556158331 /nfs/dbraw/zinc/15/83/31/556158331.db2.gz FPEBHTOFQANCQX-HUBLWGQQSA-N -1 1 373.423 2.282 20 0 FEADMM C[C@H]1CN(C(=O)C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)C[C@H](C)O1 ZINC000368542191 556339532 /nfs/dbraw/zinc/33/95/32/556339532.db2.gz DZIVKRRDGUWDKB-STQMWFEESA-N -1 1 364.417 2.019 20 0 FEADMM CCN(C[C@H]1CCCO1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000368789426 556413225 /nfs/dbraw/zinc/41/32/25/556413225.db2.gz CZEKYOXJXDQMOG-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM O=C(CN1CCC(c2noc(C3CC3)n2)CC1)[N-]OCc1ccccc1 ZINC000368848785 556429100 /nfs/dbraw/zinc/42/91/00/556429100.db2.gz ZTDJPWMOJPEPOO-UHFFFAOYSA-N -1 1 356.426 2.374 20 0 FEADMM CN(C)C(=O)Nc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000515838523 562023282 /nfs/dbraw/zinc/02/32/82/562023282.db2.gz BAQFEYUKIXOMDB-UHFFFAOYSA-N -1 1 369.424 2.341 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c1Cl ZINC000369381167 556585774 /nfs/dbraw/zinc/58/57/74/556585774.db2.gz ZYLQIWLDMYKGNH-QWHCGFSZSA-N -1 1 355.847 2.130 20 0 FEADMM CN(C)C(=O)CCCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000516389625 562041548 /nfs/dbraw/zinc/04/15/48/562041548.db2.gz RHRYAJUTHXKFCC-UHFFFAOYSA-N -1 1 353.419 2.248 20 0 FEADMM CN(C)C(=O)CCCCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000516389625 562041549 /nfs/dbraw/zinc/04/15/49/562041549.db2.gz RHRYAJUTHXKFCC-UHFFFAOYSA-N -1 1 353.419 2.248 20 0 FEADMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2)n1 ZINC000370129807 556788621 /nfs/dbraw/zinc/78/86/21/556788621.db2.gz BEJKVDNDTRXKOS-UHFFFAOYSA-N -1 1 358.379 2.012 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)c1 ZINC000370140544 556791931 /nfs/dbraw/zinc/79/19/31/556791931.db2.gz NPYSRXSZWLSSOZ-UHFFFAOYSA-N -1 1 372.406 2.070 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[C@@H](CO)c3ccccc32)c(=O)[n-]1 ZINC000370387801 556857615 /nfs/dbraw/zinc/85/76/15/556857615.db2.gz GTIYUWJGMXFDKG-BLLLJJGKSA-N -1 1 373.478 2.482 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)sc1C ZINC000517476663 562090991 /nfs/dbraw/zinc/09/09/91/562090991.db2.gz MZHPVWXBUHFQGJ-GOEBONIOSA-N -1 1 370.471 2.344 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3cccs3)C[C@H]2C)o1 ZINC000371740451 557279584 /nfs/dbraw/zinc/27/95/84/557279584.db2.gz DOLULOLLSCIMLZ-GHMZBOCLSA-N -1 1 354.453 2.267 20 0 FEADMM Cn1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(=O)c2ccccc21 ZINC000518440349 562111545 /nfs/dbraw/zinc/11/15/45/562111545.db2.gz GVJUHXISOYMQPF-UHFFFAOYSA-N -1 1 361.361 2.282 20 0 FEADMM O=C(c1c(F)cccc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372159030 557394974 /nfs/dbraw/zinc/39/49/74/557394974.db2.gz XFVMEYDZNAWHDP-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)cnc2n1 ZINC000372026816 557359936 /nfs/dbraw/zinc/35/99/36/557359936.db2.gz SMKRXYMEGDHHHQ-KZULUSFZSA-N -1 1 359.451 2.428 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCO[C@]3(CCSC3)C1)c2=O ZINC000372026816 557359939 /nfs/dbraw/zinc/35/99/39/557359939.db2.gz SMKRXYMEGDHHHQ-KZULUSFZSA-N -1 1 359.451 2.428 20 0 FEADMM O=C(c1ncccc1Oc1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000518678564 562116354 /nfs/dbraw/zinc/11/63/54/562116354.db2.gz OSVIKTLVPQZXMG-CYBMUJFWSA-N -1 1 350.382 2.407 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)CC(=O)Nc3ccccc3)n2)cc1 ZINC000518684066 562116404 /nfs/dbraw/zinc/11/64/04/562116404.db2.gz VMGZMIXRZZUMAJ-UHFFFAOYSA-N -1 1 356.407 2.193 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)CC(=O)Nc3ccccc3)n[n-]2)cc1 ZINC000518684066 562116405 /nfs/dbraw/zinc/11/64/05/562116405.db2.gz VMGZMIXRZZUMAJ-UHFFFAOYSA-N -1 1 356.407 2.193 20 0 FEADMM Cc1ccc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1Br ZINC000372278087 557427893 /nfs/dbraw/zinc/42/78/93/557427893.db2.gz NYFOAMWUDFHWCH-LBPRGKRZSA-N -1 1 364.247 2.219 20 0 FEADMM O=S(=O)([N-][C@@H](c1nc[nH]n1)c1ccccc1)c1ccc(F)c(F)c1F ZINC000372875747 557580343 /nfs/dbraw/zinc/58/03/43/557580343.db2.gz DVSKQIKMFNEPET-CQSZACIVSA-N -1 1 368.340 2.290 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C2CC2)C3)cc1 ZINC000373271310 557662587 /nfs/dbraw/zinc/66/25/87/557662587.db2.gz ARFPSVPJVIYFQJ-UHFFFAOYSA-N -1 1 371.462 2.325 20 0 FEADMM O=S(=O)(Cc1ccon1)[N-]Cc1noc(-c2ccc(Cl)cc2F)n1 ZINC000373300104 557668516 /nfs/dbraw/zinc/66/85/16/557668516.db2.gz ADGSXYARVSNEMR-UHFFFAOYSA-N -1 1 372.765 2.137 20 0 FEADMM COc1ccccc1NC(=O)C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000520306787 562152957 /nfs/dbraw/zinc/15/29/57/562152957.db2.gz AIHNBLWODIDSOM-UHFFFAOYSA-N -1 1 355.394 2.287 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3c2ccn3C)c1 ZINC000520301017 562153054 /nfs/dbraw/zinc/15/30/54/562153054.db2.gz ABLWYIDWOAVVEI-UHFFFAOYSA-N -1 1 359.407 2.044 20 0 FEADMM CCc1nc(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)[n-]c(=O)c1C ZINC000520430070 562156297 /nfs/dbraw/zinc/15/62/97/562156297.db2.gz YWIVCCAPGQDJJZ-INIZCTEOSA-N -1 1 373.478 2.462 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)c1ccco1 ZINC000520574297 562159292 /nfs/dbraw/zinc/15/92/92/562159292.db2.gz WWSIEHMILVJZGF-SNVBAGLBSA-N -1 1 361.322 2.267 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000374133928 557829127 /nfs/dbraw/zinc/82/91/27/557829127.db2.gz RRTRYZSGFVOMRR-KRWDZBQOSA-N -1 1 366.421 2.194 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2ccon2)c2ccc(Cl)cc2)no1 ZINC000374282988 557857593 /nfs/dbraw/zinc/85/75/93/557857593.db2.gz KKAOAHNEITYBTE-ZDUSSCGKSA-N -1 1 368.802 2.228 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)c1 ZINC000374479389 557889346 /nfs/dbraw/zinc/88/93/46/557889346.db2.gz OJLQJUGCINIZOQ-HNNXBMFYSA-N -1 1 360.410 2.299 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c2=O ZINC000374560866 557900088 /nfs/dbraw/zinc/90/00/88/557900088.db2.gz ZHFQIHNVUHTMBJ-ZDUSSCGKSA-N -1 1 370.384 2.497 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCC3=O)cc1C(=O)[O-] ZINC000374841190 557939344 /nfs/dbraw/zinc/93/93/44/557939344.db2.gz QKHLTQRELMJZPL-UHFFFAOYSA-N -1 1 361.375 2.459 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000374989811 557960198 /nfs/dbraw/zinc/96/01/98/557960198.db2.gz YTRCZUPWQFCNAN-KRWDZBQOSA-N -1 1 361.785 2.308 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000375097196 557977439 /nfs/dbraw/zinc/97/74/39/557977439.db2.gz ARSYKQKFLWVLRR-UHFFFAOYSA-N -1 1 359.451 2.336 20 0 FEADMM CCc1cnc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)s1 ZINC000375101052 557977952 /nfs/dbraw/zinc/97/79/52/557977952.db2.gz OEAFITKOFDALAO-UHFFFAOYSA-N -1 1 360.370 2.145 20 0 FEADMM Cc1noc(C)c1CO[C@@H]1CCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000375163066 557985876 /nfs/dbraw/zinc/98/58/76/557985876.db2.gz YCAGYKZIZYNXDJ-QGZVFWFLSA-N -1 1 359.426 2.130 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000375608453 558056357 /nfs/dbraw/zinc/05/63/57/558056357.db2.gz YFKMGKDYXJXWSL-JTQLQIEISA-N -1 1 361.379 2.386 20 0 FEADMM Cc1nc(S(=O)(=O)Cc2nc(-c3c(F)cccc3F)cs2)n[n-]1 ZINC000375646475 558061950 /nfs/dbraw/zinc/06/19/50/558061950.db2.gz GARWVLFYXXCYKW-UHFFFAOYSA-N -1 1 356.379 2.489 20 0 FEADMM CO[C@H](C)c1nsc(=N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)[n-]1 ZINC000375695248 558068802 /nfs/dbraw/zinc/06/88/02/558068802.db2.gz AUAYRCYFHDWVHQ-PWSUYJOCSA-N -1 1 364.475 2.004 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@@H](Oc4ccc(F)cc4)C3)ccnc1-2 ZINC000376605780 558196527 /nfs/dbraw/zinc/19/65/27/558196527.db2.gz HRKALHJAVBHEGY-AWMROSOHSA-N -1 1 355.373 2.166 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CCC[C@@]4(C3)OCc3ccccc34)ccnc1-2 ZINC000376607383 558196794 /nfs/dbraw/zinc/19/67/94/558196794.db2.gz WZULFXNXFVFXAU-UZXYXVAJSA-N -1 1 363.421 2.395 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)ccnc1-2 ZINC000376607425 558196940 /nfs/dbraw/zinc/19/69/40/558196940.db2.gz XHPLWYOLYJEDDR-AJIWAEEYSA-N -1 1 373.363 2.225 20 0 FEADMM Cc1ccc(-c2ccsc2C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000377594077 558373127 /nfs/dbraw/zinc/37/31/27/558373127.db2.gz AYLVZKOTLLXNTF-AWEZNQCLSA-N -1 1 355.423 2.450 20 0 FEADMM O=C(c1ccccc1CCc1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377595618 558373205 /nfs/dbraw/zinc/37/32/05/558373205.db2.gz PZCLPUWRLGJKFT-GOSISDBHSA-N -1 1 363.421 2.199 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000377972640 558455463 /nfs/dbraw/zinc/45/54/63/558455463.db2.gz YRMONBOYHOXYBD-UHFFFAOYSA-N -1 1 355.438 2.048 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@](CO)(C(C)C)C2)c(=O)[n-]1 ZINC000377979148 558456989 /nfs/dbraw/zinc/45/69/89/558456989.db2.gz ZYLGNZUFFMSEDO-QGZVFWFLSA-N -1 1 353.488 2.012 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000378288432 558520688 /nfs/dbraw/zinc/52/06/88/558520688.db2.gz XRKOWIGXVDXILX-MRXNPFEDSA-N -1 1 372.469 2.259 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2-c2nnc[nH]2)c1C ZINC000378329967 558531075 /nfs/dbraw/zinc/53/10/75/558531075.db2.gz PMTMLFQYGWLQJQ-UHFFFAOYSA-N -1 1 360.443 2.414 20 0 FEADMM O=C([N-]OCC(F)(F)F)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000378356519 558537758 /nfs/dbraw/zinc/53/77/58/558537758.db2.gz PCZKFJXOIKVTIU-ZETCQYMHSA-N -1 1 354.687 2.442 20 0 FEADMM O=C(CN1CCC[C@H](C(=O)Nc2nccs2)C1)[N-]OCc1ccccc1 ZINC000378374485 558542893 /nfs/dbraw/zinc/54/28/93/558542893.db2.gz DDWQXPPYWHCXQE-HNNXBMFYSA-N -1 1 374.466 2.042 20 0 FEADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000523727218 562218590 /nfs/dbraw/zinc/21/85/90/562218590.db2.gz ILDPCFDXNYCQAH-QFIPXVFZSA-N -1 1 351.449 2.396 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)n1 ZINC000523789698 562219984 /nfs/dbraw/zinc/21/99/84/562219984.db2.gz HQUDISURUKNVFW-UHFFFAOYSA-N -1 1 373.438 2.211 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)[n-]1 ZINC000523789698 562219985 /nfs/dbraw/zinc/21/99/85/562219985.db2.gz HQUDISURUKNVFW-UHFFFAOYSA-N -1 1 373.438 2.211 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000392704232 558618528 /nfs/dbraw/zinc/61/85/28/558618528.db2.gz VHRFMMPHYAADSI-UHFFFAOYSA-N -1 1 364.335 2.041 20 0 FEADMM CC(C)(C)[C@@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000393950938 558621358 /nfs/dbraw/zinc/62/13/58/558621358.db2.gz PHESVKCHLFOOKF-LLVKDONJSA-N -1 1 363.195 2.134 20 0 FEADMM C[C@@H]1CC[C@H](CNC(=O)c2ccc(I)c([O-])c2)O1 ZINC000398090367 558626315 /nfs/dbraw/zinc/62/63/15/558626315.db2.gz XFSJNVZEVOUSCH-PSASIEDQSA-N -1 1 361.179 2.294 20 0 FEADMM CC(C)[C@](C)(CO)NC(=O)c1cc(I)ccc1[O-] ZINC000398524282 558626849 /nfs/dbraw/zinc/62/68/49/558626849.db2.gz UHALDOPYOMEMRQ-ZDUSSCGKSA-N -1 1 363.195 2.134 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@H]2CCO[C@H]21 ZINC000408213036 558656904 /nfs/dbraw/zinc/65/69/04/558656904.db2.gz BXRQJZQNUWEXSM-AVPPRXQKSA-N -1 1 350.234 2.134 20 0 FEADMM C[C@@H]1CCCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000408313315 558665818 /nfs/dbraw/zinc/66/58/18/558665818.db2.gz HREQVFVAMLSKIF-LLVKDONJSA-N -1 1 364.464 2.008 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(F)c1 ZINC000409530801 558700632 /nfs/dbraw/zinc/70/06/32/558700632.db2.gz QGOPYDIFLAJTHZ-INIZCTEOSA-N -1 1 370.384 2.202 20 0 FEADMM Cn1cccc([N-]S(=O)(=O)c2cccc(Br)c2F)c1=O ZINC000410384212 558754117 /nfs/dbraw/zinc/75/41/17/558754117.db2.gz PMMPFFSBGNXYMU-UHFFFAOYSA-N -1 1 361.192 2.088 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2n(C)c1=O ZINC000525013320 562239430 /nfs/dbraw/zinc/23/94/30/562239430.db2.gz UBUVMADMZDANCB-UHFFFAOYSA-N -1 1 368.418 2.226 20 0 FEADMM C[C@H](CC(F)F)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000411198923 558852185 /nfs/dbraw/zinc/85/21/85/558852185.db2.gz JDOGNFHIRZQIGQ-SNVBAGLBSA-N -1 1 362.398 2.407 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)cc1 ZINC000525157010 562241274 /nfs/dbraw/zinc/24/12/74/562241274.db2.gz VLMHJXNNGDLPNM-UHFFFAOYSA-N -1 1 374.422 2.097 20 0 FEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC000525702470 562252801 /nfs/dbraw/zinc/25/28/01/562252801.db2.gz BVKWMXKPZRQINV-UHFFFAOYSA-N -1 1 370.427 2.151 20 0 FEADMM CO[C@@](C)([C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000412616135 559046698 /nfs/dbraw/zinc/04/66/98/559046698.db2.gz RTYXAKXQRRVXCV-GTNSWQLSSA-N -1 1 372.487 2.290 20 0 FEADMM COC(=O)[C@H]1CSCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000412959152 559067250 /nfs/dbraw/zinc/06/72/50/559067250.db2.gz XVNICBFDWISRRZ-SECBINFHSA-N -1 1 374.256 2.133 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cn(-c3ccccc3)nc2C)CC1 ZINC000414378186 559159742 /nfs/dbraw/zinc/15/97/42/559159742.db2.gz CIWQLOCTXZUJNE-UHFFFAOYSA-N -1 1 363.439 2.408 20 0 FEADMM Cc1nn(C)c(S(=O)(=O)[N-]c2cc(O)c(F)cc2F)c1C(F)F ZINC000414399162 559161497 /nfs/dbraw/zinc/16/14/97/559161497.db2.gz VGETWHVFDBCUHS-UHFFFAOYSA-N -1 1 353.297 2.451 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)ccc1O ZINC000414453774 559164655 /nfs/dbraw/zinc/16/46/55/559164655.db2.gz DQGTUJWNEUPVNI-UHFFFAOYSA-N -1 1 350.396 2.300 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)c1 ZINC000414474447 559167286 /nfs/dbraw/zinc/16/72/86/559167286.db2.gz DEMGWIGHZFRPCA-NSHDSACASA-N -1 1 357.325 2.478 20 0 FEADMM CNCc1noc(C2([N-]S(=O)(=O)c3cccc(F)c3)CCCCC2)n1 ZINC000414498103 559168725 /nfs/dbraw/zinc/16/87/25/559168725.db2.gz HODRKYXRZRWNQY-UHFFFAOYSA-N -1 1 368.434 2.066 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2cccc(Br)c2)C1=O ZINC000414645735 559176975 /nfs/dbraw/zinc/17/69/75/559176975.db2.gz AFVPLYVPUGTZIO-KGLIPLIRSA-N -1 1 369.259 2.249 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(OCC3CC3)cc2)C1=O ZINC000414666532 559178354 /nfs/dbraw/zinc/17/83/54/559178354.db2.gz VIUMVVFOZGKXDZ-QZTJIDSGSA-N -1 1 360.454 2.275 20 0 FEADMM COc1cccc(Cl)c1-c1noc(C)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000527253266 562282291 /nfs/dbraw/zinc/28/22/91/562282291.db2.gz KLQDSNGJZNFGNU-UHFFFAOYSA-N -1 1 374.788 2.244 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)n1 ZINC000415642394 559257511 /nfs/dbraw/zinc/25/75/11/559257511.db2.gz VMFANKNHENHTPG-UHFFFAOYSA-N -1 1 358.398 2.321 20 0 FEADMM CCOc1cc(C(=O)[N-]c2sc3c(c2C(=O)OC)CCOC3)on1 ZINC000416121745 559292872 /nfs/dbraw/zinc/29/28/72/559292872.db2.gz WKTXAUCPMKMQBR-UHFFFAOYSA-N -1 1 352.368 2.246 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccccc1OCCC(C)C ZINC000416143300 559294157 /nfs/dbraw/zinc/29/41/57/559294157.db2.gz FVGDMPFIGYCDPE-UHFFFAOYSA-N -1 1 361.398 2.251 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000416218436 559299206 /nfs/dbraw/zinc/29/92/06/559299206.db2.gz VDZFPSHDCRXFMA-MRVPVSSYSA-N -1 1 371.315 2.449 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)o1 ZINC000416410156 559310993 /nfs/dbraw/zinc/31/09/93/559310993.db2.gz WSAFRCXFXIRCAT-CYBMUJFWSA-N -1 1 355.460 2.365 20 0 FEADMM CN(C)C(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000416588473 559323502 /nfs/dbraw/zinc/32/35/02/559323502.db2.gz LWFYRBHNMGGPES-UHFFFAOYSA-N -1 1 370.780 2.258 20 0 FEADMM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1ccc(Br)o1 ZINC000416634405 559326531 /nfs/dbraw/zinc/32/65/31/559326531.db2.gz QYXZSYBJVDNXDK-UHFFFAOYSA-N -1 1 364.246 2.250 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)C2(OC)CCC2)ccc1[N-]S(C)(=O)=O ZINC000416835936 559334471 /nfs/dbraw/zinc/33/44/71/559334471.db2.gz ZBEQIEDRHQCXPN-LLVKDONJSA-N -1 1 371.459 2.146 20 0 FEADMM COc1cc(CN[C@]2(C(=O)[O-])CCOc3ccccc32)cc2c1OCO2 ZINC000417570005 559367127 /nfs/dbraw/zinc/36/71/27/559367127.db2.gz ROCUWDDYUWJIMJ-LJQANCHMSA-N -1 1 357.362 2.276 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)no1 ZINC000420673025 559497003 /nfs/dbraw/zinc/49/70/03/559497003.db2.gz LALHSQOQPLSVRD-UHFFFAOYSA-N -1 1 353.734 2.111 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1)OC ZINC000420674812 559497219 /nfs/dbraw/zinc/49/72/19/559497219.db2.gz IURMVIQKUIXZSQ-LBPRGKRZSA-N -1 1 359.835 2.234 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)c(F)c1)OC ZINC000420685361 559497863 /nfs/dbraw/zinc/49/78/63/559497863.db2.gz HWYMFTVMZCSNNM-ZWNOBZJWSA-N -1 1 367.826 2.038 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1n[nH]c(SC(C)C)n1 ZINC000421224913 559531998 /nfs/dbraw/zinc/53/19/98/559531998.db2.gz IZYRDQPVOYBFSW-CYBMUJFWSA-N -1 1 370.500 2.305 20 0 FEADMM CCn1c([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)nc2cccnc21 ZINC000421248233 559533442 /nfs/dbraw/zinc/53/34/42/559533442.db2.gz KKRWGQPULZZJMN-HNNXBMFYSA-N -1 1 374.466 2.451 20 0 FEADMM COCCc1nc2cc([N-]S(=O)(=O)CCOCC3CC3)ccc2o1 ZINC000424205143 559657711 /nfs/dbraw/zinc/65/77/11/559657711.db2.gz FXEWALJRLVTCOW-UHFFFAOYSA-N -1 1 354.428 2.185 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424472144 559666552 /nfs/dbraw/zinc/66/65/52/559666552.db2.gz OIBKBYHNBWRFKC-UHFFFAOYSA-N -1 1 362.474 2.369 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000424549798 559668967 /nfs/dbraw/zinc/66/89/67/559668967.db2.gz WTPHZOLPQOFBPS-OWJWWREXSA-N -1 1 366.508 2.283 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000424815790 559677566 /nfs/dbraw/zinc/67/75/66/559677566.db2.gz YRVCZXRRNVRYDX-RUZDIDTESA-N -1 1 363.483 2.482 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[C@H]2O)c1 ZINC000425056570 559685601 /nfs/dbraw/zinc/68/56/01/559685601.db2.gz GKAQNRPFLZFBPA-QZTJIDSGSA-N -1 1 374.462 2.357 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC(CC(F)F)C2)o1 ZINC000425081015 559686470 /nfs/dbraw/zinc/68/64/70/559686470.db2.gz LMXYREGVAKARAZ-UHFFFAOYSA-N -1 1 350.387 2.084 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCN2CCCCCC2=O)c(F)c1 ZINC000425141127 559688381 /nfs/dbraw/zinc/68/83/81/559688381.db2.gz HSCKTDLBKKQNLD-UHFFFAOYSA-N -1 1 360.426 2.344 20 0 FEADMM COc1cc(NC(=O)[C@@H]2CCc3cccnc32)ccc1[N-]S(C)(=O)=O ZINC000425140987 559688434 /nfs/dbraw/zinc/68/84/34/559688434.db2.gz FTRLSFKMWJRZED-CYBMUJFWSA-N -1 1 361.423 2.130 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)N(C)C)CCCCC2)c(F)c1 ZINC000425184443 559689884 /nfs/dbraw/zinc/68/98/84/559689884.db2.gz IVJCPADSFIFFTB-UHFFFAOYSA-N -1 1 360.426 2.343 20 0 FEADMM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC000425190387 559690240 /nfs/dbraw/zinc/69/02/40/559690240.db2.gz VHNNVFBZBVMGDE-ZDUSSCGKSA-N -1 1 371.405 2.336 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2OCCO)c(F)c1 ZINC000425192984 559690355 /nfs/dbraw/zinc/69/03/55/559690355.db2.gz FOQIGELPJWRXMB-UHFFFAOYSA-N -1 1 357.378 2.123 20 0 FEADMM COc1ccc(-c2ocnc2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000425328163 559697097 /nfs/dbraw/zinc/69/70/97/559697097.db2.gz WRLRVRVDSKRFST-UHFFFAOYSA-N -1 1 370.365 2.459 20 0 FEADMM CC(C)(C)OC(=O)CC[C@H]1CCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000425487546 559705005 /nfs/dbraw/zinc/70/50/05/559705005.db2.gz YYQUJPNRKWGBMX-OAHLLOKOSA-N -1 1 360.458 2.499 20 0 FEADMM CC(C)(C)c1ccc(CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000426319560 559732686 /nfs/dbraw/zinc/73/26/86/559732686.db2.gz XEXUCIXGRGINNS-UHFFFAOYSA-N -1 1 374.514 2.450 20 0 FEADMM Cc1cnn(C[C@@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000426721640 559741039 /nfs/dbraw/zinc/74/10/39/559741039.db2.gz COZHUFZVMIJMQO-CYBMUJFWSA-N -1 1 356.195 2.336 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)o1 ZINC000426880139 559743465 /nfs/dbraw/zinc/74/34/65/559743465.db2.gz ZOFJWGNVCULUBR-LLVKDONJSA-N -1 1 354.432 2.244 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccccc1OC(F)(F)F)c1ncccc1[O-] ZINC000427154374 559749183 /nfs/dbraw/zinc/74/91/83/559749183.db2.gz WRQFGFYMUICVEQ-LLVKDONJSA-N -1 1 370.327 2.267 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(Cl)cccc2OC)c1 ZINC000427905068 559765060 /nfs/dbraw/zinc/76/50/60/559765060.db2.gz DSZOBVOMVALYHY-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM COC(=O)c1cc(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)ccn1 ZINC000429538387 559800700 /nfs/dbraw/zinc/80/07/00/559800700.db2.gz PDBFEGQJGWUMNA-UHFFFAOYSA-N -1 1 354.341 2.958 20 0 FEADMM CC(C)COC[C@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1ccco1 ZINC000429820076 559806314 /nfs/dbraw/zinc/80/63/14/559806314.db2.gz MQBGKPCRUNUGOQ-LBPRGKRZSA-N -1 1 361.851 2.359 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc(OC)c1C ZINC000431166860 559835223 /nfs/dbraw/zinc/83/52/23/559835223.db2.gz LUGOQKTXHFDSIH-UHFFFAOYSA-N -1 1 362.407 2.308 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)c1 ZINC000431161229 559835266 /nfs/dbraw/zinc/83/52/66/559835266.db2.gz DFLSNUOUFXOYTR-UHFFFAOYSA-N -1 1 353.375 2.264 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431180463 559835505 /nfs/dbraw/zinc/83/55/05/559835505.db2.gz PCGCFXBDHWVNIF-UHFFFAOYSA-N -1 1 353.375 2.264 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1OC ZINC000431182605 559835579 /nfs/dbraw/zinc/83/55/79/559835579.db2.gz OXWFOZGMBNMOCR-UHFFFAOYSA-N -1 1 369.374 2.134 20 0 FEADMM COc1cc(CN=c2[n-]c(C(N)=O)cs2)cc(Br)c1OC ZINC000432322695 559856253 /nfs/dbraw/zinc/85/62/53/559856253.db2.gz BTSCHCYZUQLTIE-UHFFFAOYSA-N -1 1 372.244 2.634 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4ncon4)cc3)ccc2[nH]1 ZINC000432186839 559853694 /nfs/dbraw/zinc/85/36/94/559853694.db2.gz NCZVHRWGKPUFRJ-UHFFFAOYSA-N -1 1 368.374 2.379 20 0 FEADMM COCCCOc1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000432201367 559853966 /nfs/dbraw/zinc/85/39/66/559853966.db2.gz DEERXJFRZRIBGV-UHFFFAOYSA-N -1 1 364.423 2.002 20 0 FEADMM CCOc1cc(C(=O)N[C@H](CO)Cc2cccnc2)cc(Cl)c1[O-] ZINC000432775024 559864416 /nfs/dbraw/zinc/86/44/16/559864416.db2.gz GIACQYSHRJFFDN-ZDUSSCGKSA-N -1 1 350.802 2.173 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(-n3cnnn3)c2)c1 ZINC000433512279 559883276 /nfs/dbraw/zinc/88/32/76/559883276.db2.gz VVJSVFQMIARRSJ-UHFFFAOYSA-N -1 1 359.411 2.034 20 0 FEADMM CO[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)C1 ZINC000433783835 559887708 /nfs/dbraw/zinc/88/77/08/559887708.db2.gz SLBXYEBXECMDIW-LBPRGKRZSA-N -1 1 369.393 2.386 20 0 FEADMM COC(=O)c1[n-]c(=NCc2ccc(C)cc2N2CCOCC2)sc1C ZINC000433779932 559887772 /nfs/dbraw/zinc/88/77/72/559887772.db2.gz PZWCATRDRJOAJD-UHFFFAOYSA-N -1 1 361.467 2.995 20 0 FEADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000434628802 559904070 /nfs/dbraw/zinc/90/40/70/559904070.db2.gz UOXUUIWSTWXKGV-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM CC1(C)CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000435468674 559923859 /nfs/dbraw/zinc/92/38/59/559923859.db2.gz FBROIZASNBDEDA-UHFFFAOYSA-N -1 1 374.890 2.439 20 0 FEADMM NC(=O)[C@@H](CNC(=O)c1cc(F)ccc1[O-])Cc1ccccc1Cl ZINC000436553196 559945150 /nfs/dbraw/zinc/94/51/50/559945150.db2.gz CGKBJDAFXBEIEI-LLVKDONJSA-N -1 1 350.777 2.259 20 0 FEADMM O=C(Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1)NCCO ZINC000436592169 559946225 /nfs/dbraw/zinc/94/62/25/559946225.db2.gz ZFKMAAWQQCEAHH-UHFFFAOYSA-N -1 1 364.401 2.449 20 0 FEADMM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436667805 559948100 /nfs/dbraw/zinc/94/81/00/559948100.db2.gz VQJPAHMFTCSJDK-HNNXBMFYSA-N -1 1 371.368 2.137 20 0 FEADMM O=C(Cn1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1)NC1CC1 ZINC000436670549 559948311 /nfs/dbraw/zinc/94/83/11/559948311.db2.gz FLWOXKLAJBNVJE-UHFFFAOYSA-N -1 1 350.378 2.273 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1)n1cncn1 ZINC000436675375 559948686 /nfs/dbraw/zinc/94/86/86/559948686.db2.gz VDKNOGZTZQBDGG-NSHDSACASA-N -1 1 367.365 2.141 20 0 FEADMM CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436753939 559951032 /nfs/dbraw/zinc/95/10/32/559951032.db2.gz GDYWVYLSAKQYHA-UHFFFAOYSA-N -1 1 354.815 2.347 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)c1 ZINC000436757443 559951099 /nfs/dbraw/zinc/95/10/99/559951099.db2.gz VLDKKZSMGQEPHA-UHFFFAOYSA-N -1 1 371.754 2.273 20 0 FEADMM COc1cc(NC(=O)CN(C)C(=O)c2cc(F)ccc2[O-])cc(OC)c1 ZINC000436789140 559951960 /nfs/dbraw/zinc/95/19/60/559951960.db2.gz CJTOOHBWQIESQM-UHFFFAOYSA-N -1 1 362.357 2.259 20 0 FEADMM O=C(NC[C@@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436824102 559953264 /nfs/dbraw/zinc/95/32/64/559953264.db2.gz YRMNFBJEBRSAAL-JTQLQIEISA-N -1 1 351.346 2.108 20 0 FEADMM O=C(NCc1ccccc1)C1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436865700 559954884 /nfs/dbraw/zinc/95/48/84/559954884.db2.gz SUYGNRSDZFHMSJ-UHFFFAOYSA-N -1 1 366.417 2.130 20 0 FEADMM Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436885131 559955286 /nfs/dbraw/zinc/95/52/86/559955286.db2.gz IJLJAKHBBCLVSO-IBGZPJMESA-N -1 1 368.433 2.073 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000436888663 559955531 /nfs/dbraw/zinc/95/55/31/559955531.db2.gz VKXMDMIROXVYBP-QGZVFWFLSA-N -1 1 370.449 2.109 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(OC)cc1OC ZINC000436922143 559956519 /nfs/dbraw/zinc/95/65/19/559956519.db2.gz WRDSSNSWZHAGKR-MRXNPFEDSA-N -1 1 363.341 2.193 20 0 FEADMM CCOc1c(OC)cc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1OC ZINC000436964464 559957781 /nfs/dbraw/zinc/95/77/81/559957781.db2.gz GJKQDNZBMTTXCX-UHFFFAOYSA-N -1 1 359.378 2.307 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000436994378 559959073 /nfs/dbraw/zinc/95/90/73/559959073.db2.gz MDXXWIXXVPVERF-UHFFFAOYSA-N -1 1 364.379 2.240 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000436998799 559959288 /nfs/dbraw/zinc/95/92/88/559959288.db2.gz ZDRPTFIKACGEAA-UHFFFAOYSA-N -1 1 355.318 2.120 20 0 FEADMM COC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(F)cc1 ZINC000437395020 559964112 /nfs/dbraw/zinc/96/41/12/559964112.db2.gz UCFFLTYNVDIKDC-INIZCTEOSA-N -1 1 372.400 2.237 20 0 FEADMM CCc1ccnc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000437735587 559968808 /nfs/dbraw/zinc/96/88/08/559968808.db2.gz KQPNIAMRPJTLQW-UHFFFAOYSA-N -1 1 365.455 2.244 20 0 FEADMM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc(O)cc1[O-] ZINC000439049978 559987732 /nfs/dbraw/zinc/98/77/32/559987732.db2.gz AXCGDQQEVYEEPN-UHFFFAOYSA-N -1 1 355.329 2.342 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C)nn2c1 ZINC000439251837 559990929 /nfs/dbraw/zinc/99/09/29/559990929.db2.gz XIYPHJHDHQGODA-UHFFFAOYSA-N -1 1 360.395 2.099 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)n(C)c2)c(C)c1 ZINC000439582016 559997372 /nfs/dbraw/zinc/99/73/72/559997372.db2.gz QOCYDXRUZHVADY-UHFFFAOYSA-N -1 1 352.412 2.320 20 0 FEADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCCC(=O)N2)cc1[O-] ZINC000442740480 560055622 /nfs/dbraw/zinc/05/56/22/560055622.db2.gz FAOLQRZBDBLJTP-OAHLLOKOSA-N -1 1 359.426 2.062 20 0 FEADMM C[C@H]1OCC[C@H]1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000442743284 560055732 /nfs/dbraw/zinc/05/57/32/560055732.db2.gz BLKCLXVEKCGPMK-YUELXQCFSA-N -1 1 355.456 2.166 20 0 FEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000442756211 560056213 /nfs/dbraw/zinc/05/62/13/560056213.db2.gz YYXBIADICUUOPH-NSHDSACASA-N -1 1 361.398 2.419 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)cc(Cl)c1[O-] ZINC000442869607 560060146 /nfs/dbraw/zinc/06/01/46/560060146.db2.gz IVCSPKUSXVDDAP-SNVBAGLBSA-N -1 1 350.806 2.203 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCNC3=O)cc2C)c1 ZINC000443033030 560066953 /nfs/dbraw/zinc/06/69/53/560066953.db2.gz DIRRPNNGHSXJBQ-UHFFFAOYSA-N -1 1 368.393 2.441 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)cc1C ZINC000443076141 560069514 /nfs/dbraw/zinc/06/95/14/560069514.db2.gz WFSYNFXOQWBLJV-ZDUSSCGKSA-N -1 1 365.455 2.113 20 0 FEADMM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000443076570 560069631 /nfs/dbraw/zinc/06/96/31/560069631.db2.gz YGHJVRNSAYPBPL-AWEZNQCLSA-N -1 1 365.455 2.276 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000443100609 560070595 /nfs/dbraw/zinc/07/05/95/560070595.db2.gz AYBRIDFXBKZTGG-QWHCGFSZSA-N -1 1 372.462 2.154 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000443100608 560070724 /nfs/dbraw/zinc/07/07/24/560070724.db2.gz AYBRIDFXBKZTGG-OLZOCXBDSA-N -1 1 372.462 2.154 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC)c1ccc(F)cc1F ZINC000443120394 560071494 /nfs/dbraw/zinc/07/14/94/560071494.db2.gz VPLWJSXYNXTIFE-ZDUSSCGKSA-N -1 1 373.381 2.294 20 0 FEADMM O=S(=O)([N-]Cc1ccncc1OCC(F)F)c1cc(F)ccc1F ZINC000443229610 560075580 /nfs/dbraw/zinc/07/55/80/560075580.db2.gz VVPBETUVOPXJGE-UHFFFAOYSA-N -1 1 364.320 2.482 20 0 FEADMM COc1cc(C(=O)N2CCN(Cc3ccon3)CC2)cc(Cl)c1[O-] ZINC000443294845 560078302 /nfs/dbraw/zinc/07/83/02/560078302.db2.gz MMHWXOKBYGLMDR-UHFFFAOYSA-N -1 1 351.790 2.000 20 0 FEADMM CCOC1CC(O)(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000443958099 560097412 /nfs/dbraw/zinc/09/74/12/560097412.db2.gz KKOPNLNWPYKINT-UHFFFAOYSA-N -1 1 372.245 2.341 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3Cc4ccccc43)CC2)n1 ZINC000444666148 560117783 /nfs/dbraw/zinc/11/77/83/560117783.db2.gz WJFCRKSXWMAGDI-OAHLLOKOSA-N -1 1 354.410 2.027 20 0 FEADMM CCOC(=O)c1cnn2c1nccc2-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445469718 560132398 /nfs/dbraw/zinc/13/23/98/560132398.db2.gz CCGWDAKKHWJFHT-UHFFFAOYSA-N -1 1 369.312 2.468 20 0 FEADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1CN(C)C ZINC000446821816 560152300 /nfs/dbraw/zinc/15/23/00/560152300.db2.gz AXOKONHQBMCCNN-UHFFFAOYSA-N -1 1 353.469 2.018 20 0 FEADMM CCn1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1=O ZINC000447621971 560165514 /nfs/dbraw/zinc/16/55/14/560165514.db2.gz YFRBWTPDYZSBIC-UHFFFAOYSA-N -1 1 351.200 2.266 20 0 FEADMM COc1cc(C(=O)[N-]c2ccccc2SC)sc1S(N)(=O)=O ZINC000447433141 560162265 /nfs/dbraw/zinc/16/22/65/560162265.db2.gz ZBEOXFKYAZMEMO-UHFFFAOYSA-N -1 1 358.466 2.378 20 0 FEADMM CN(CCN1CCOC(C)(C)C1)C(=O)c1cc(Br)ccc1[O-] ZINC000447658891 560165998 /nfs/dbraw/zinc/16/59/98/560165998.db2.gz KZVVOXSBUCUTQF-UHFFFAOYSA-N -1 1 371.275 2.338 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000447755502 560168505 /nfs/dbraw/zinc/16/85/05/560168505.db2.gz DGPWKLUGIOVWDI-AWEZNQCLSA-N -1 1 354.815 2.236 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)cc1C(=O)[O-] ZINC000448183579 560180182 /nfs/dbraw/zinc/18/01/82/560180182.db2.gz XCMKXWQLBGMMPD-MRXNPFEDSA-N -1 1 368.499 2.400 20 0 FEADMM Cc1csc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000449927584 560245479 /nfs/dbraw/zinc/24/54/79/560245479.db2.gz WKLDASYWCBTISW-UHFFFAOYSA-N -1 1 352.437 2.455 20 0 FEADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000450981896 560281030 /nfs/dbraw/zinc/28/10/30/560281030.db2.gz JFVYFRXPJHNFDV-UHFFFAOYSA-N -1 1 354.453 2.044 20 0 FEADMM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c1OC ZINC000451072433 560285582 /nfs/dbraw/zinc/28/55/82/560285582.db2.gz WMPVPZDHOOREFB-SSDOTTSWSA-N -1 1 370.805 2.030 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1Cl ZINC000451119091 560288228 /nfs/dbraw/zinc/28/82/28/560288228.db2.gz YXKXCSFMQZFYBE-UHFFFAOYSA-N -1 1 356.835 2.395 20 0 FEADMM O=S(=O)([N-]CC1(O)CCOCC1)c1sc2ccccc2c1Cl ZINC000451224076 560294076 /nfs/dbraw/zinc/29/40/76/560294076.db2.gz BXFIEGYAIQTEID-UHFFFAOYSA-N -1 1 361.872 2.375 20 0 FEADMM O=S(=O)([N-]CCCOC1CCOCC1)c1cc2cc(F)ccc2o1 ZINC000451244739 560295455 /nfs/dbraw/zinc/29/54/55/560295455.db2.gz RVZBONHLTPDFMW-UHFFFAOYSA-N -1 1 357.403 2.436 20 0 FEADMM CN(CCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])C1CC1 ZINC000451404216 560304821 /nfs/dbraw/zinc/30/48/21/560304821.db2.gz AIJZOINMAZETRA-UHFFFAOYSA-N -1 1 352.378 2.126 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)c1ccc2c(c1)CCO2 ZINC000451407693 560304967 /nfs/dbraw/zinc/30/49/67/560304967.db2.gz XFVFXXFJDGCCLW-HNNXBMFYSA-N -1 1 367.448 2.184 20 0 FEADMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2sccc2Cl)C1(C)C ZINC000451452367 560307944 /nfs/dbraw/zinc/30/79/44/560307944.db2.gz MDSDNQUUCCHGTM-ZWNOBZJWSA-N -1 1 353.893 2.246 20 0 FEADMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451509509 560311050 /nfs/dbraw/zinc/31/10/50/560311050.db2.gz NTVHIQOTAWWKOD-PELKAZGASA-N -1 1 358.872 2.358 20 0 FEADMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000451685009 560321859 /nfs/dbraw/zinc/32/18/59/560321859.db2.gz JYNLQMZGNHRQPX-QMMMGPOBSA-N -1 1 372.231 2.414 20 0 FEADMM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000451780610 560328210 /nfs/dbraw/zinc/32/82/10/560328210.db2.gz WFMFPXZCOGXDQO-YUMQZZPRSA-N -1 1 360.284 2.385 20 0 FEADMM CCC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)COC1 ZINC000451951482 560340295 /nfs/dbraw/zinc/34/02/95/560340295.db2.gz LQBBWZGFXNYZNA-UHFFFAOYSA-N -1 1 370.215 2.432 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])[C@H]1C(C)C ZINC000452115488 560352072 /nfs/dbraw/zinc/35/20/72/560352072.db2.gz BBSXFULGYOWEFX-WFASDCNBSA-N -1 1 357.410 2.304 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)[C@H]1C(C)C ZINC000452115488 560352073 /nfs/dbraw/zinc/35/20/73/560352073.db2.gz BBSXFULGYOWEFX-WFASDCNBSA-N -1 1 357.410 2.304 20 0 FEADMM O=C(N[C@H]1CCC[C@H]1CO)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000456800032 560533253 /nfs/dbraw/zinc/53/32/53/560533253.db2.gz MPIQHQKWILXNRK-YJBOKZPZSA-N -1 1 374.462 2.378 20 0 FEADMM O=C(NC[C@H](O)C1CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000456903385 560536857 /nfs/dbraw/zinc/53/68/57/560536857.db2.gz PCYLHBLIBYCUMJ-SFHVURJKSA-N -1 1 374.462 2.378 20 0 FEADMM C[C@H]1C[C@H](O)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000457016572 560544098 /nfs/dbraw/zinc/54/40/98/560544098.db2.gz VPOSMUKKOUWJNC-YOEHRIQHSA-N -1 1 374.462 2.330 20 0 FEADMM COC[C@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000457044625 560545423 /nfs/dbraw/zinc/54/54/23/560545423.db2.gz RBJMTQGDABGBKI-HNNXBMFYSA-N -1 1 360.458 2.259 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2nc(CN(C)C)cs2)c(=O)[n-]1 ZINC000457283229 560560290 /nfs/dbraw/zinc/56/02/90/560560290.db2.gz DCLXVKJTQJHVHS-UHFFFAOYSA-N -1 1 367.500 2.302 20 0 FEADMM CC[C@H](CC(F)F)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000457693211 560582016 /nfs/dbraw/zinc/58/20/16/560582016.db2.gz MOJTUUDWJBAJMZ-SECBINFHSA-N -1 1 362.398 2.453 20 0 FEADMM COC[C@@H](C)n1ccc(=NC(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)[nH]1 ZINC000459505984 560690801 /nfs/dbraw/zinc/69/08/01/560690801.db2.gz JYJCBXWHFYGYMH-GFCCVEGCSA-N -1 1 372.404 2.416 20 0 FEADMM COc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc(Cl)c1[O-] ZINC000460512129 560745316 /nfs/dbraw/zinc/74/53/16/560745316.db2.gz RPAUDIWMEPUEPV-UHFFFAOYSA-N -1 1 350.758 2.171 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)Cc3cc(Cl)ccc3F)ccnc1-2 ZINC000461113966 560761826 /nfs/dbraw/zinc/76/18/26/560761826.db2.gz YJBNLCQSAWKUGA-UHFFFAOYSA-N -1 1 354.794 2.076 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)ccc12 ZINC000461338839 560767126 /nfs/dbraw/zinc/76/71/26/560767126.db2.gz CDADKLJGWDRIBT-UHFFFAOYSA-N -1 1 372.450 2.384 20 0 FEADMM COc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)c(OC)n1 ZINC000461471638 560773331 /nfs/dbraw/zinc/77/33/31/560773331.db2.gz FQTVDIJCYFILDY-UHFFFAOYSA-N -1 1 367.199 2.497 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)o1 ZINC000461607080 560776371 /nfs/dbraw/zinc/77/63/71/560776371.db2.gz HZEZXJKKJMYLRY-UHFFFAOYSA-N -1 1 374.378 2.022 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000464347320 560839503 /nfs/dbraw/zinc/83/95/03/560839503.db2.gz ARQZHFDSRRMBCW-GJZGRUSLSA-N -1 1 360.458 2.303 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)c(C)c1 ZINC000467080268 560903250 /nfs/dbraw/zinc/90/32/50/560903250.db2.gz DRPCUSPFCQBEIJ-UHFFFAOYSA-N -1 1 352.412 2.320 20 0 FEADMM CCC[C@H](NC(=O)c1cc(OC)c(OC(F)F)c(OC)c1)c1nn[n-]n1 ZINC000467633096 560914085 /nfs/dbraw/zinc/91/40/85/560914085.db2.gz ADHGUKQIQBCXIA-VIFPVBQESA-N -1 1 371.344 2.090 20 0 FEADMM C[C@H](CSc1ccccc1)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000467864802 560919044 /nfs/dbraw/zinc/91/90/44/560919044.db2.gz PDWWEXOQSSLTQJ-GFCCVEGCSA-N -1 1 363.512 2.197 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccsc1 ZINC000468824270 560939610 /nfs/dbraw/zinc/93/96/10/560939610.db2.gz FKPJYUAMEUHOIG-AWEZNQCLSA-N -1 1 353.421 2.143 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1)c1ccsc1 ZINC000468862234 560940714 /nfs/dbraw/zinc/94/07/14/560940714.db2.gz HVGOHJYRPHWIMF-OAHLLOKOSA-N -1 1 362.432 2.489 20 0 FEADMM Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468969427 560943591 /nfs/dbraw/zinc/94/35/91/560943591.db2.gz MERYQZQJIFPLLY-UHFFFAOYSA-N -1 1 354.370 2.084 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000468990471 560944227 /nfs/dbraw/zinc/94/42/27/560944227.db2.gz NBOPGGMUWLGSCC-SMDDNHRTSA-N -1 1 361.467 2.497 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccsc1 ZINC000469071602 560946518 /nfs/dbraw/zinc/94/65/18/560946518.db2.gz WTEYGVQAMKTELA-BMIGLBTASA-N -1 1 367.448 2.264 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccsc1 ZINC000469198035 560949674 /nfs/dbraw/zinc/94/96/74/560949674.db2.gz QAOULXOOVSVUSD-HNNXBMFYSA-N -1 1 367.448 2.266 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(C)c1)c1ccsc1 ZINC000469244832 560950758 /nfs/dbraw/zinc/95/07/58/560950758.db2.gz XJZUDIKEKYDPJF-AWEZNQCLSA-N -1 1 355.437 2.258 20 0 FEADMM O=C(Nc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1)c1ccc(F)cc1 ZINC000470973657 560995556 /nfs/dbraw/zinc/99/55/56/560995556.db2.gz ANOGRJUKTQTQEJ-UHFFFAOYSA-N -1 1 366.356 2.010 20 0 FEADMM CCC(O)(CC)CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000471680368 561010137 /nfs/dbraw/zinc/01/01/37/561010137.db2.gz PZZSHCQMVPCYDW-UHFFFAOYSA-N -1 1 360.476 2.027 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1F ZINC000474311631 561070966 /nfs/dbraw/zinc/07/09/66/561070966.db2.gz ZOBODVLBNJNJDN-UHFFFAOYSA-N -1 1 367.354 2.184 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C(F)(F)F)o1 ZINC000474375077 561072500 /nfs/dbraw/zinc/07/25/00/561072500.db2.gz PYBJVYXHFRBAGG-UHFFFAOYSA-N -1 1 364.301 2.212 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(CC(C)C)n[nH]3)cc21 ZINC000474421424 561073696 /nfs/dbraw/zinc/07/36/96/561073696.db2.gz MGSZQSHFAUYWCQ-UHFFFAOYSA-N -1 1 362.455 2.318 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000474812043 561083339 /nfs/dbraw/zinc/08/33/39/561083339.db2.gz XISGOCJSAMHIAV-HNNXBMFYSA-N -1 1 357.454 2.369 20 0 FEADMM CC(C)(NC(=O)CCCc1ccc(Br)s1)c1nn[n-]n1 ZINC000475016499 561087688 /nfs/dbraw/zinc/08/76/88/561087688.db2.gz KJRLKQIHSOFFEU-UHFFFAOYSA-N -1 1 358.265 2.398 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(F)cc1 ZINC000475016352 561087749 /nfs/dbraw/zinc/08/77/49/561087749.db2.gz OIAZBJGFGHLVFP-HNNXBMFYSA-N -1 1 369.352 2.096 20 0 FEADMM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000475116226 561090896 /nfs/dbraw/zinc/09/08/96/561090896.db2.gz IGPIRWPMLZQBQP-UHFFFAOYSA-N -1 1 360.246 2.399 20 0 FEADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000475812886 561105984 /nfs/dbraw/zinc/10/59/84/561105984.db2.gz QGEKOFVPVIJJLY-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477021517 561134342 /nfs/dbraw/zinc/13/43/42/561134342.db2.gz AZDQXNFVTFKIKO-UHFFFAOYSA-N -1 1 363.381 2.263 20 0 FEADMM C[C@@H]1[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])[C@H]1C1CC1 ZINC000528899374 562352099 /nfs/dbraw/zinc/35/20/99/562352099.db2.gz APRDFVJSNFNJLE-JECHBYEQSA-N -1 1 364.467 2.407 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2C[C@]2(C)OC(C)C)cc1[N-]S(C)(=O)=O ZINC000528997165 562355878 /nfs/dbraw/zinc/35/58/78/562355878.db2.gz VVOKUJBMJYWKAZ-ZBFHGGJFSA-N -1 1 371.459 2.144 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3COC3)cc2)cc1 ZINC000530111955 562398726 /nfs/dbraw/zinc/39/87/26/562398726.db2.gz KRNDZELBCACEHE-UHFFFAOYSA-N -1 1 360.435 2.172 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000530134278 562399250 /nfs/dbraw/zinc/39/92/50/562399250.db2.gz QJTCGTSNNNXGHS-UHFFFAOYSA-N -1 1 372.446 2.469 20 0 FEADMM COc1ccc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C2CC2)cn1 ZINC000530208721 562402591 /nfs/dbraw/zinc/40/25/91/562402591.db2.gz QKSVTECAMSPHHT-INIZCTEOSA-N -1 1 350.378 2.208 20 0 FEADMM Cc1ccccc1-c1nc(=N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[nH]1 ZINC000530251146 562404185 /nfs/dbraw/zinc/40/41/85/562404185.db2.gz FMSKPDPSSOJLHG-KGLIPLIRSA-N -1 1 374.466 2.057 20 0 FEADMM Cc1noc(C23CC(C2)CN3C(=O)c2cnc3nc(C)ccc3c2[O-])n1 ZINC000530273172 562404803 /nfs/dbraw/zinc/40/48/03/562404803.db2.gz LJIFMLIVZQJYBI-UHFFFAOYSA-N -1 1 351.366 2.097 20 0 FEADMM Cc1noc(C23CC(C2)CN3C(=O)c2c[n-]c3nc(C)ccc3c2=O)n1 ZINC000530273172 562404805 /nfs/dbraw/zinc/40/48/05/562404805.db2.gz LJIFMLIVZQJYBI-UHFFFAOYSA-N -1 1 351.366 2.097 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)c1 ZINC000530665677 562419921 /nfs/dbraw/zinc/41/99/21/562419921.db2.gz NWBZCPVDQKPOQR-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM COC(=O)c1c(C)cccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000530814102 562424746 /nfs/dbraw/zinc/42/47/46/562424746.db2.gz RROFDLPTMZITGQ-UHFFFAOYSA-N -1 1 368.349 2.092 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[nH]1)C[C@H](C)O2 ZINC000530876326 562427009 /nfs/dbraw/zinc/42/70/09/562427009.db2.gz LAPSIIBKECVIPL-NSHDSACASA-N -1 1 366.377 2.481 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)c1cc(C)c3c(=O)[nH]c(=O)nc-3[n-]1)C[C@H](C)O2 ZINC000530876326 562427010 /nfs/dbraw/zinc/42/70/10/562427010.db2.gz LAPSIIBKECVIPL-NSHDSACASA-N -1 1 366.377 2.481 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(OC(C)C)CC1 ZINC000531398948 562444574 /nfs/dbraw/zinc/44/45/74/562444574.db2.gz PQZWVBZAIMCNIP-UHFFFAOYSA-N -1 1 360.458 2.400 20 0 FEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)cc21 ZINC000531884009 562459894 /nfs/dbraw/zinc/45/98/94/562459894.db2.gz LVJZRYPBEMHBBW-UHFFFAOYSA-N -1 1 362.455 2.097 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cncc([O-])c3)C2)c1 ZINC000532311636 562473547 /nfs/dbraw/zinc/47/35/47/562473547.db2.gz LRVOAGNAVHWLTG-ZDUSSCGKSA-N -1 1 357.410 2.061 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(C(=O)NC3CC3)c2)sc1C ZINC000532496249 562479508 /nfs/dbraw/zinc/47/95/08/562479508.db2.gz VFMQUSQIQJGWDK-UHFFFAOYSA-N -1 1 365.480 2.131 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)c(OC)c1 ZINC000532710802 562486283 /nfs/dbraw/zinc/48/62/83/562486283.db2.gz MZSCXADPZOQDEA-QWHCGFSZSA-N -1 1 350.415 2.218 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3=O)cn2)c1 ZINC000532945000 562493291 /nfs/dbraw/zinc/49/32/91/562493291.db2.gz CRCSOEWTAHQUDX-UHFFFAOYSA-N -1 1 354.366 2.125 20 0 FEADMM N=c1nc(N2CCN(C(=O)NCc3csc4ccccc34)CC2)s[n-]1 ZINC000533181649 562500723 /nfs/dbraw/zinc/50/07/23/562500723.db2.gz GNLKFPMNVRKYHR-UHFFFAOYSA-N -1 1 374.495 2.367 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000533362234 562506489 /nfs/dbraw/zinc/50/64/89/562506489.db2.gz AWFNMUXWIBKTJW-CYBMUJFWSA-N -1 1 363.361 2.111 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000533520571 562511485 /nfs/dbraw/zinc/51/14/85/562511485.db2.gz FPMDTDUMQDQNIR-HOTGVXAUSA-N -1 1 372.469 2.259 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cccc(F)c3[C@H]2C)co1 ZINC000533684371 562516102 /nfs/dbraw/zinc/51/61/02/562516102.db2.gz KNVJAQKFCAIVND-SNVBAGLBSA-N -1 1 352.387 2.086 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1)c1ccc(F)c(F)c1F ZINC000533700059 562516455 /nfs/dbraw/zinc/51/64/55/562516455.db2.gz DLHVJPLTINXAIT-LBPRGKRZSA-N -1 1 359.369 2.233 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)cc1 ZINC000534403298 562533402 /nfs/dbraw/zinc/53/34/02/562533402.db2.gz OSOWVKPZCYMUKC-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000534515867 562535627 /nfs/dbraw/zinc/53/56/27/562535627.db2.gz ZFQFIHJSSMGQRZ-SNVBAGLBSA-N -1 1 366.386 2.402 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000534549331 562536514 /nfs/dbraw/zinc/53/65/14/562536514.db2.gz CIOMBIXZENDWIC-NSHDSACASA-N -1 1 352.398 2.086 20 0 FEADMM COCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000535420019 562558148 /nfs/dbraw/zinc/55/81/48/562558148.db2.gz IGNCIXHWHWYNMW-UHFFFAOYSA-N -1 1 353.371 2.204 20 0 FEADMM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000535620989 562562743 /nfs/dbraw/zinc/56/27/43/562562743.db2.gz OANFIUUYCWPRIN-UHFFFAOYSA-N -1 1 364.427 2.184 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1 ZINC000535654112 562563390 /nfs/dbraw/zinc/56/33/90/562563390.db2.gz FWWWNZLJDBNXCK-UHFFFAOYSA-N -1 1 359.363 2.324 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC(F)F)cc2)co1 ZINC000535916014 562570768 /nfs/dbraw/zinc/57/07/68/562570768.db2.gz YRYSUHOHCUFYDB-UHFFFAOYSA-N -1 1 360.338 2.084 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CO)c2ccccc2C)c(=O)[n-]1 ZINC000536433923 562575351 /nfs/dbraw/zinc/57/53/51/562575351.db2.gz KQFYZGSSMLXIQY-OAHLLOKOSA-N -1 1 361.467 2.303 20 0 FEADMM O=S(=O)([N-]Cc1nccn1CC(F)(F)F)c1ccc(F)c(F)c1F ZINC000536970727 562583366 /nfs/dbraw/zinc/58/33/66/562583366.db2.gz YNQDUWHNMNSWRG-UHFFFAOYSA-N -1 1 373.278 2.341 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000540728174 562592114 /nfs/dbraw/zinc/59/21/14/562592114.db2.gz QQLDSTTWJGOPQR-QWRGUYRKSA-N -1 1 365.373 2.497 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000540804863 562593579 /nfs/dbraw/zinc/59/35/79/562593579.db2.gz QZORRKBZBXCPBE-GFCCVEGCSA-N -1 1 364.448 2.258 20 0 FEADMM CC(C)COc1ncc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1Cl ZINC000541234448 562606609 /nfs/dbraw/zinc/60/66/09/562606609.db2.gz TUXMJPLNIPDOLC-UHFFFAOYSA-N -1 1 364.837 2.482 20 0 FEADMM CCOC(=O)c1cc([N-]C(=O)c2cc(OC)no2)cc(C(=O)OCC)c1 ZINC000541572069 562615581 /nfs/dbraw/zinc/61/55/81/562615581.db2.gz BWBUWXLRWMNUCT-UHFFFAOYSA-N -1 1 362.338 2.289 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)[nH]n1 ZINC000542003116 562625466 /nfs/dbraw/zinc/62/54/66/562625466.db2.gz UPJWAHQHONEMRZ-UHFFFAOYSA-N -1 1 355.391 2.479 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000542004325 562625474 /nfs/dbraw/zinc/62/54/74/562625474.db2.gz DVJJPXBDRUPPBG-UHFFFAOYSA-N -1 1 353.327 2.142 20 0 FEADMM Cc1nnc([C@@H](C)NC(=O)c2ccc(I)c([O-])c2)o1 ZINC000545457087 562627607 /nfs/dbraw/zinc/62/76/07/562627607.db2.gz IJXIVKBWINSPCO-ZCFIWIBFSA-N -1 1 373.150 2.179 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000556359694 674398747 /nfs/dbraw/zinc/39/87/47/674398747.db2.gz GKGCBKDGIXTLIP-UHFFFAOYSA-N -1 1 374.796 2.327 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)CC2(OC)CCC2)cc2[nH]ccc21 ZINC000601976541 567894133 /nfs/dbraw/zinc/89/41/33/567894133.db2.gz FHEWFQWZJXYSOG-UHFFFAOYSA-N -1 1 352.412 2.265 20 0 FEADMM COC(=O)c1nc[nH]c1NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000602327298 567967524 /nfs/dbraw/zinc/96/75/24/567967524.db2.gz CJYIDGGTKXQBFZ-VXGBXAGGSA-N -1 1 358.398 2.062 20 0 FEADMM Cn1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)ccc1=O ZINC000602754393 568031102 /nfs/dbraw/zinc/03/11/02/568031102.db2.gz UXOGAYVDRWHTNS-UHFFFAOYSA-N -1 1 374.194 2.242 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C2CC(c3ccc(F)cc3)C2)n[n-]1 ZINC000603153072 568065278 /nfs/dbraw/zinc/06/52/78/568065278.db2.gz GLJINDPYQVCOMQ-PKSQDBQZSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2CC(c3ccc(F)cc3)C2)[n-]1 ZINC000603153072 568065279 /nfs/dbraw/zinc/06/52/79/568065279.db2.gz GLJINDPYQVCOMQ-PKSQDBQZSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2CC(c3ccc(F)cc3)C2)n1 ZINC000603153072 568065280 /nfs/dbraw/zinc/06/52/80/568065280.db2.gz GLJINDPYQVCOMQ-PKSQDBQZSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n[n-]1 ZINC000603157248 568068820 /nfs/dbraw/zinc/06/88/20/568068820.db2.gz VGYSWDXLDVXHHU-JMJZKYOTSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)[n-]1 ZINC000603157248 568068821 /nfs/dbraw/zinc/06/88/21/568068821.db2.gz VGYSWDXLDVXHHU-JMJZKYOTSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000603157248 568068822 /nfs/dbraw/zinc/06/88/22/568068822.db2.gz VGYSWDXLDVXHHU-JMJZKYOTSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n[n-]1 ZINC000603161810 568069496 /nfs/dbraw/zinc/06/94/96/568069496.db2.gz GSPCHVOOLKNCSY-KPXOXKRLSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)[n-]1 ZINC000603161810 568069497 /nfs/dbraw/zinc/06/94/97/568069497.db2.gz GSPCHVOOLKNCSY-KPXOXKRLSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC000603161810 568069498 /nfs/dbraw/zinc/06/94/98/568069498.db2.gz GSPCHVOOLKNCSY-KPXOXKRLSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)Nc2ncc(Br)cc2F)[n-]1 ZINC000603409425 568097672 /nfs/dbraw/zinc/09/76/72/568097672.db2.gz XFNYHSVFGXNTTJ-ZCFIWIBFSA-N -1 1 358.171 2.451 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2ncc(Br)cc2F)n1 ZINC000603409425 568097673 /nfs/dbraw/zinc/09/76/73/568097673.db2.gz XFNYHSVFGXNTTJ-ZCFIWIBFSA-N -1 1 358.171 2.451 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)Nc2ncc(Br)cc2F)n[n-]1 ZINC000603409425 568097671 /nfs/dbraw/zinc/09/76/71/568097671.db2.gz XFNYHSVFGXNTTJ-ZCFIWIBFSA-N -1 1 358.171 2.451 20 0 FEADMM C[C@H]1CN(Cc2ccc(CNC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)C[C@H](C)O1 ZINC000563114966 568220803 /nfs/dbraw/zinc/22/08/03/568220803.db2.gz RMTHOAVUKPOONK-DFEHZGFQSA-N -1 1 374.481 2.269 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000737301660 598929919 /nfs/dbraw/zinc/92/99/19/598929919.db2.gz QDAIHLRWTBFCLT-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000735495834 598944491 /nfs/dbraw/zinc/94/44/91/598944491.db2.gz PEWQDMJAVIGONM-UHFFFAOYSA-N -1 1 357.395 2.179 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736613097 598945438 /nfs/dbraw/zinc/94/54/38/598945438.db2.gz CUOZYFMDAZYXSP-CABCVRRESA-N -1 1 356.430 2.072 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736613097 598945440 /nfs/dbraw/zinc/94/54/40/598945440.db2.gz CUOZYFMDAZYXSP-CABCVRRESA-N -1 1 356.430 2.072 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000737225755 598947773 /nfs/dbraw/zinc/94/77/73/598947773.db2.gz QZZRINMTNGTKGX-UHFFFAOYSA-N -1 1 354.395 2.457 20 0 FEADMM OCc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1F ZINC000738398125 598961971 /nfs/dbraw/zinc/96/19/71/598961971.db2.gz UEWOPWCHTGZIBV-UHFFFAOYSA-N -1 1 351.345 2.053 20 0 FEADMM OCc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1F ZINC000738398125 598961972 /nfs/dbraw/zinc/96/19/72/598961972.db2.gz UEWOPWCHTGZIBV-UHFFFAOYSA-N -1 1 351.345 2.053 20 0 FEADMM CN1C(=O)CCc2cc(Nc3c4ccccc4nnc3-c3nnn[n-]3)ccc21 ZINC000736846998 598966996 /nfs/dbraw/zinc/96/69/96/598966996.db2.gz SKFGLDZQDHNWDR-UHFFFAOYSA-N -1 1 372.392 2.463 20 0 FEADMM CN1C(=O)CCc2cc(Nc3c4ccccc4nnc3-c3nn[n-]n3)ccc21 ZINC000736846998 598966998 /nfs/dbraw/zinc/96/69/98/598966998.db2.gz SKFGLDZQDHNWDR-UHFFFAOYSA-N -1 1 372.392 2.463 20 0 FEADMM O=C(CCNc1c2ccccc2nnc1-c1nnn[n-]1)Nc1ccccc1 ZINC000737847652 598970170 /nfs/dbraw/zinc/97/01/70/598970170.db2.gz KMPHXETVSXGBMZ-UHFFFAOYSA-N -1 1 360.381 2.251 20 0 FEADMM O=C(CCNc1c2ccccc2nnc1-c1nn[n-]n1)Nc1ccccc1 ZINC000737847652 598970171 /nfs/dbraw/zinc/97/01/71/598970171.db2.gz KMPHXETVSXGBMZ-UHFFFAOYSA-N -1 1 360.381 2.251 20 0 FEADMM O=C(NCCCSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738074789 598982242 /nfs/dbraw/zinc/98/22/42/598982242.db2.gz FYYOSGJTWJTPDS-UHFFFAOYSA-N -1 1 358.402 2.313 20 0 FEADMM O=C(NCCCSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738074789 598982244 /nfs/dbraw/zinc/98/22/44/598982244.db2.gz FYYOSGJTWJTPDS-UHFFFAOYSA-N -1 1 358.402 2.313 20 0 FEADMM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738210781 599003874 /nfs/dbraw/zinc/00/38/74/599003874.db2.gz VKQSDEMCGVKSHX-UHFFFAOYSA-N -1 1 370.442 2.488 20 0 FEADMM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738210781 599003877 /nfs/dbraw/zinc/00/38/77/599003877.db2.gz VKQSDEMCGVKSHX-UHFFFAOYSA-N -1 1 370.442 2.488 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccc(Br)cc21 ZINC000738260054 599007082 /nfs/dbraw/zinc/00/70/82/599007082.db2.gz YAKBAOYBCAXWPU-UHFFFAOYSA-N -1 1 371.198 2.227 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccc(Br)cc21 ZINC000738260054 599007083 /nfs/dbraw/zinc/00/70/83/599007083.db2.gz YAKBAOYBCAXWPU-UHFFFAOYSA-N -1 1 371.198 2.227 20 0 FEADMM Cc1ccnc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000737437848 599009310 /nfs/dbraw/zinc/00/93/10/599009310.db2.gz ZFGAMJYMYXTLHI-UHFFFAOYSA-N -1 1 358.365 2.279 20 0 FEADMM Cc1ccnc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000737437848 599009312 /nfs/dbraw/zinc/00/93/12/599009312.db2.gz ZFGAMJYMYXTLHI-UHFFFAOYSA-N -1 1 358.365 2.279 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2CC=CC2)c1-c1nn[n-]n1 ZINC000737504378 599018426 /nfs/dbraw/zinc/01/84/26/599018426.db2.gz WDHFEZBTWOXQTG-UHFFFAOYSA-N -1 1 350.382 2.370 20 0 FEADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC000735526008 599022222 /nfs/dbraw/zinc/02/22/22/599022222.db2.gz SEHLMIMCPSZQMI-NSHDSACASA-N -1 1 373.461 2.063 20 0 FEADMM CN(c1ccccc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736843252 599023988 /nfs/dbraw/zinc/02/39/88/599023988.db2.gz ITYCKFGTSXSEHZ-UHFFFAOYSA-N -1 1 363.425 2.003 20 0 FEADMM CN(c1ccccc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736843252 599023989 /nfs/dbraw/zinc/02/39/89/599023989.db2.gz ITYCKFGTSXSEHZ-UHFFFAOYSA-N -1 1 363.425 2.003 20 0 FEADMM COc1cc(CN(C)c2nccnc2-c2nnn[n-]2)c(SC)cc1OC ZINC000737045322 599046867 /nfs/dbraw/zinc/04/68/67/599046867.db2.gz ICRQNAAQPFZIBC-UHFFFAOYSA-N -1 1 373.442 2.032 20 0 FEADMM COc1cc(CN(C)c2nccnc2-c2nn[n-]n2)c(SC)cc1OC ZINC000737045322 599046870 /nfs/dbraw/zinc/04/68/70/599046870.db2.gz ICRQNAAQPFZIBC-UHFFFAOYSA-N -1 1 373.442 2.032 20 0 FEADMM C[C@H](CCC1CCCCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735985971 599082461 /nfs/dbraw/zinc/08/24/61/599082461.db2.gz OLROZIXNVNHVLW-GFCCVEGCSA-N -1 1 364.475 2.289 20 0 FEADMM C[C@H](CCC1CCCCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735985971 599082463 /nfs/dbraw/zinc/08/24/63/599082463.db2.gz OLROZIXNVNHVLW-GFCCVEGCSA-N -1 1 364.475 2.289 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2cccs2)no1 ZINC000736159162 599142304 /nfs/dbraw/zinc/14/23/04/599142304.db2.gz VFSQJNCRXMLNOK-QMMMGPOBSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2cccs2)no1 ZINC000736159162 599142306 /nfs/dbraw/zinc/14/23/06/599142306.db2.gz VFSQJNCRXMLNOK-QMMMGPOBSA-N -1 1 369.366 2.291 20 0 FEADMM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737240368 599143060 /nfs/dbraw/zinc/14/30/60/599143060.db2.gz JYKJCXRCEPDQGF-UHFFFAOYSA-N -1 1 351.366 2.227 20 0 FEADMM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737240368 599143062 /nfs/dbraw/zinc/14/30/62/599143062.db2.gz JYKJCXRCEPDQGF-UHFFFAOYSA-N -1 1 351.366 2.227 20 0 FEADMM CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735489014 599151974 /nfs/dbraw/zinc/15/19/74/599151974.db2.gz SFTGXGMQOLHKCN-JTQLQIEISA-N -1 1 352.354 2.138 20 0 FEADMM CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735489014 599151977 /nfs/dbraw/zinc/15/19/77/599151977.db2.gz SFTGXGMQOLHKCN-JTQLQIEISA-N -1 1 352.354 2.138 20 0 FEADMM COC(C)(C)C[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736959133 599212550 /nfs/dbraw/zinc/21/25/50/599212550.db2.gz ZYNZZKDQQLYHQC-LLVKDONJSA-N -1 1 372.429 2.492 20 0 FEADMM COC(C)(C)C[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736959133 599212553 /nfs/dbraw/zinc/21/25/53/599212553.db2.gz ZYNZZKDQQLYHQC-LLVKDONJSA-N -1 1 372.429 2.492 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1nnc2n1CCCCC2 ZINC000823796812 607303473 /nfs/dbraw/zinc/30/34/73/607303473.db2.gz HKDOFMFCOGIALL-UHFFFAOYSA-N -1 1 361.413 2.345 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCc1nnc2n1CCCCC2 ZINC000823796812 607303474 /nfs/dbraw/zinc/30/34/74/607303474.db2.gz HKDOFMFCOGIALL-UHFFFAOYSA-N -1 1 361.413 2.345 20 0 FEADMM C[C@H]1CCN(C(=O)COc2ccsc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807705214 674424633 /nfs/dbraw/zinc/42/46/33/674424633.db2.gz DZEVTKFXIVKWEX-KWBADKCTSA-N -1 1 364.389 2.431 20 0 FEADMM COC(=O)CCCCC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802942 674430414 /nfs/dbraw/zinc/43/04/14/674430414.db2.gz UOXWXBGLJSQWDK-MJVIPROJSA-N -1 1 366.380 2.024 20 0 FEADMM c1ccc(COc2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)nc1 ZINC000738432188 598346448 /nfs/dbraw/zinc/34/64/48/598346448.db2.gz DKRMJIWLWWCWAM-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM c1ccc(COc2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)nc1 ZINC000738432188 598346450 /nfs/dbraw/zinc/34/64/50/598346450.db2.gz DKRMJIWLWWCWAM-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2ccccc2C1 ZINC000738353816 598409625 /nfs/dbraw/zinc/40/96/25/598409625.db2.gz HIQQJQBHNNLOAQ-UHFFFAOYSA-N -1 1 373.413 2.143 20 0 FEADMM CCc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000736692855 598503508 /nfs/dbraw/zinc/50/35/08/598503508.db2.gz ZLJZQIAHSLOJCN-UHFFFAOYSA-N -1 1 374.404 2.383 20 0 FEADMM O=C(NC1(CCO)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000557122200 674437964 /nfs/dbraw/zinc/43/79/64/674437964.db2.gz UUSGVPYKXGAKBR-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM Cc1nn(C)c(Cl)c1CSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000737472247 598585236 /nfs/dbraw/zinc/58/52/36/598585236.db2.gz XOUHLYZOTKTZAA-UHFFFAOYSA-N -1 1 350.839 2.261 20 0 FEADMM C[C@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc2ccccc2c1 ZINC000736112479 598677291 /nfs/dbraw/zinc/67/72/91/598677291.db2.gz SIXRYVNODVMVPX-ZDUSSCGKSA-N -1 1 374.404 2.059 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000736128993 598686165 /nfs/dbraw/zinc/68/61/65/598686165.db2.gz BZPMCTAAVVUKHF-MRVPVSSYSA-N -1 1 353.404 2.107 20 0 FEADMM CCC1(C)CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736397855 598693282 /nfs/dbraw/zinc/69/32/82/598693282.db2.gz XHANMCPPXAWKBA-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM Cc1noc(C)c1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000737537268 598721182 /nfs/dbraw/zinc/72/11/82/598721182.db2.gz MYVNWQIOYFTORY-UHFFFAOYSA-N -1 1 356.773 2.488 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2COC3=O)c1 ZINC000808126840 674443024 /nfs/dbraw/zinc/44/30/24/674443024.db2.gz JFUJQMBEPDTGGC-UHFFFAOYSA-N -1 1 361.375 2.253 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1OC ZINC000808127860 674443237 /nfs/dbraw/zinc/44/32/37/674443237.db2.gz UFARGNSQKODABU-UHFFFAOYSA-N -1 1 363.391 2.483 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823601228 599359451 /nfs/dbraw/zinc/35/94/51/599359451.db2.gz WZUWROPLBYGYNH-MFKMUULPSA-N -1 1 367.862 2.473 20 0 FEADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736963861 599379237 /nfs/dbraw/zinc/37/92/37/599379237.db2.gz UTYFJPDSFULQDP-BMIGLBTASA-N -1 1 372.816 2.421 20 0 FEADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736963861 599379239 /nfs/dbraw/zinc/37/92/39/599379239.db2.gz UTYFJPDSFULQDP-BMIGLBTASA-N -1 1 372.816 2.421 20 0 FEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1 ZINC000822693812 599402585 /nfs/dbraw/zinc/40/25/85/599402585.db2.gz KPRXNZMGMASFGQ-HNNXBMFYSA-N -1 1 353.361 2.212 20 0 FEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1 ZINC000822693812 599402588 /nfs/dbraw/zinc/40/25/88/599402588.db2.gz KPRXNZMGMASFGQ-HNNXBMFYSA-N -1 1 353.361 2.212 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821977576 599450600 /nfs/dbraw/zinc/45/06/00/599450600.db2.gz IBKFNRPTUNDNSM-MFKMUULPSA-N -1 1 374.470 2.388 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821919491 599570947 /nfs/dbraw/zinc/57/09/47/599570947.db2.gz BNWAIFAVZSIKED-VXGBXAGGSA-N -1 1 372.454 2.183 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821919491 599570948 /nfs/dbraw/zinc/57/09/48/599570948.db2.gz BNWAIFAVZSIKED-VXGBXAGGSA-N -1 1 372.454 2.183 20 0 FEADMM C[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(C(F)(F)F)c1 ZINC000735977650 599603935 /nfs/dbraw/zinc/60/39/35/599603935.db2.gz PYNIBJWCVSICPT-MRVPVSSYSA-N -1 1 365.319 2.498 20 0 FEADMM CCC(C)(C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000820848563 599648036 /nfs/dbraw/zinc/64/80/36/599648036.db2.gz ZAMZZNMSQRIBMT-UHFFFAOYSA-N -1 1 373.461 2.207 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)OCC2(C)COC2)c1-c1nnn[n-]1 ZINC000821988053 599652223 /nfs/dbraw/zinc/65/22/23/599652223.db2.gz BSKQKFRPMGOFFX-UHFFFAOYSA-N -1 1 361.427 2.054 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)OCC2(C)COC2)c1-c1nn[n-]n1 ZINC000821988053 599652224 /nfs/dbraw/zinc/65/22/24/599652224.db2.gz BSKQKFRPMGOFFX-UHFFFAOYSA-N -1 1 361.427 2.054 20 0 FEADMM COc1ccc(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000821786600 599652907 /nfs/dbraw/zinc/65/29/07/599652907.db2.gz GGBDRVSCEONMRZ-UHFFFAOYSA-N -1 1 364.409 2.290 20 0 FEADMM COc1ccc(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000821786600 599652908 /nfs/dbraw/zinc/65/29/08/599652908.db2.gz GGBDRVSCEONMRZ-UHFFFAOYSA-N -1 1 364.409 2.290 20 0 FEADMM O=C(OCc1nnc(-c2cccc(F)c2)o1)c1sccc1-c1nn[n-]n1 ZINC000823444910 599659322 /nfs/dbraw/zinc/65/93/22/599659322.db2.gz QODAUIPQNGKJNJ-UHFFFAOYSA-N -1 1 372.341 2.474 20 0 FEADMM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820973626 599683739 /nfs/dbraw/zinc/68/37/39/599683739.db2.gz YQLAVQVJURIXPP-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820973626 599683740 /nfs/dbraw/zinc/68/37/40/599683740.db2.gz YQLAVQVJURIXPP-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820656835 607387211 /nfs/dbraw/zinc/38/72/11/607387211.db2.gz HQUIIXWGKKPMLF-RYUDHWBXSA-N -1 1 359.434 2.144 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820656835 607387213 /nfs/dbraw/zinc/38/72/13/607387213.db2.gz HQUIIXWGKKPMLF-RYUDHWBXSA-N -1 1 359.434 2.144 20 0 FEADMM CN(C[C@H](O)COc1ccc(C(=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000737409809 599719287 /nfs/dbraw/zinc/71/92/87/599719287.db2.gz YSWPISAZHYVEIY-PXNSSMCTSA-N -1 1 371.433 2.370 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCN(C)c1ccccc1 ZINC000736215706 599763568 /nfs/dbraw/zinc/76/35/68/599763568.db2.gz RJAPZAWSLBDCTH-MRXNPFEDSA-N -1 1 369.465 2.458 20 0 FEADMM CCOCCN(CC)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000737169766 599763590 /nfs/dbraw/zinc/76/35/90/599763590.db2.gz DSYJTNNPHYYTOS-QGZVFWFLSA-N -1 1 361.442 2.080 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738126710 599815704 /nfs/dbraw/zinc/81/57/04/599815704.db2.gz JCLPZVKRFWUQFR-UHFFFAOYSA-N -1 1 356.382 2.143 20 0 FEADMM CC1(C)CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC000736735467 599832058 /nfs/dbraw/zinc/83/20/58/599832058.db2.gz MCHSVOKTMFESIZ-QGZVFWFLSA-N -1 1 374.485 2.435 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccnc1-n1cccn1 ZINC000327574536 599965655 /nfs/dbraw/zinc/96/56/55/599965655.db2.gz FDYDFRZQKNCHJR-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000737530326 600010395 /nfs/dbraw/zinc/01/03/95/600010395.db2.gz TZGDAOFLTSPXIH-UHFFFAOYSA-N -1 1 360.458 2.203 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000739547669 600076759 /nfs/dbraw/zinc/07/67/59/600076759.db2.gz NCCXRMUPYAEHSQ-LSDHHAIUSA-N -1 1 350.846 2.389 20 0 FEADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000739285638 600080105 /nfs/dbraw/zinc/08/01/05/600080105.db2.gz ITGNSTJGAOFEPI-CVEARBPZSA-N -1 1 359.426 2.160 20 0 FEADMM Cc1cccc(C[C@H](CNS(=O)(=O)c2c(F)cccc2F)C(=O)[O-])c1 ZINC000548547000 600096996 /nfs/dbraw/zinc/09/69/96/600096996.db2.gz AJWAURVBWWEJJO-CYBMUJFWSA-N -1 1 369.389 2.495 20 0 FEADMM CCCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC000737011259 600103165 /nfs/dbraw/zinc/10/31/65/600103165.db2.gz ZQKNANCPYGOTRY-UHFFFAOYSA-N -1 1 354.428 2.354 20 0 FEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc3c(=O)[nH]c(=S)[nH]c3c1)C2 ZINC000740200965 600104408 /nfs/dbraw/zinc/10/44/08/600104408.db2.gz PPZJDWNCHNUEFE-UHFFFAOYSA-N -1 1 367.386 2.478 20 0 FEADMM O=C([O-])c1sccc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC000739338318 600274855 /nfs/dbraw/zinc/27/48/55/600274855.db2.gz OENKFLTUAIVERD-UHFFFAOYSA-N -1 1 361.408 2.357 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736207843 600290594 /nfs/dbraw/zinc/29/05/94/600290594.db2.gz JUUOZTRUBFFKGG-BMFZPTHFSA-N -1 1 358.438 2.202 20 0 FEADMM CC(C)OCc1ccccc1CNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736485819 600305785 /nfs/dbraw/zinc/30/57/85/600305785.db2.gz AUOZMTILXNWLGA-SFHVURJKSA-N -1 1 374.481 2.415 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCN1CCOC ZINC000736940750 600339068 /nfs/dbraw/zinc/33/90/68/600339068.db2.gz UCDIIAAQHQNSSS-ZDUSSCGKSA-N -1 1 353.394 2.098 20 0 FEADMM C[C@H](CN(C)CC(=O)Nc1c(F)cc(F)cc1Br)C(=O)[O-] ZINC000736573883 600366364 /nfs/dbraw/zinc/36/63/64/600366364.db2.gz YCMYUPYGXGMIRQ-SSDOTTSWSA-N -1 1 365.174 2.318 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000738901528 600366449 /nfs/dbraw/zinc/36/64/49/600366449.db2.gz BQVDYQXPRIXEJG-SWLSCSKDSA-N -1 1 358.442 2.469 20 0 FEADMM CN(CCOc1cccc(S(C)(=O)=O)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737449571 600432890 /nfs/dbraw/zinc/43/28/90/600432890.db2.gz SLIYHDWDTYZTCG-KRWDZBQOSA-N -1 1 363.435 2.227 20 0 FEADMM CCC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1Br)c1nn[n-]n1 ZINC000829801411 677013431 /nfs/dbraw/zinc/01/34/31/677013431.db2.gz PZCCIYZWRWUHSY-SECBINFHSA-N -1 1 370.255 2.185 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)CCCC(=O)[O-])[nH]c2c1 ZINC000738295074 600496623 /nfs/dbraw/zinc/49/66/23/600496623.db2.gz FVLNILDUMXRLTG-CQSZACIVSA-N -1 1 351.428 2.203 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000738545280 600556020 /nfs/dbraw/zinc/55/60/20/600556020.db2.gz OIFINFWAIUFHKK-UHFFFAOYSA-N -1 1 370.453 2.066 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000828266160 600710907 /nfs/dbraw/zinc/71/09/07/600710907.db2.gz QYPXAEMHGYHGEL-RYUDHWBXSA-N -1 1 374.890 2.437 20 0 FEADMM CC(C)N1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000828424572 600792453 /nfs/dbraw/zinc/79/24/53/600792453.db2.gz QNIOWZZYJIYGRH-GWCFXTLKSA-N -1 1 360.863 2.045 20 0 FEADMM CCN1CCN(c2ccc(C(=O)OCc3cc(C(=O)[O-])co3)cc2)CC1 ZINC000737116298 600804364 /nfs/dbraw/zinc/80/43/64/600804364.db2.gz QSIFSTWFHKWHRG-UHFFFAOYSA-N -1 1 358.394 2.477 20 0 FEADMM Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)n1 ZINC000614793051 600811027 /nfs/dbraw/zinc/81/10/27/600811027.db2.gz BIYUIRZRNCQNPQ-UHFFFAOYSA-N -1 1 374.422 2.327 20 0 FEADMM CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000320081268 600828958 /nfs/dbraw/zinc/82/89/58/600828958.db2.gz OJEZJWGUHVKUFL-UHFFFAOYSA-N -1 1 357.819 2.244 20 0 FEADMM CCc1cnc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000830299600 600985460 /nfs/dbraw/zinc/98/54/60/600985460.db2.gz UGSUMRTZEFZYPJ-UHFFFAOYSA-N -1 1 356.425 2.360 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000830691709 601017720 /nfs/dbraw/zinc/01/77/20/601017720.db2.gz BQPJMUXOZABEJJ-INIZCTEOSA-N -1 1 374.416 2.286 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(OCC2CC2)CC1 ZINC000563283559 601050662 /nfs/dbraw/zinc/05/06/62/601050662.db2.gz PGNQLFGLLFSTDK-CQSZACIVSA-N -1 1 360.454 2.281 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000630226204 601088230 /nfs/dbraw/zinc/08/82/30/601088230.db2.gz YPOATLAXKYOOOS-ZDUSSCGKSA-N -1 1 362.474 2.137 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000827356385 601090661 /nfs/dbraw/zinc/09/06/61/601090661.db2.gz QZURGTUGFGSZES-IDTUSYRASA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000827356386 601090669 /nfs/dbraw/zinc/09/06/69/601090669.db2.gz QZURGTUGFGSZES-LFAOLKIESA-N -1 1 353.422 2.255 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000630221999 601091397 /nfs/dbraw/zinc/09/13/97/601091397.db2.gz BPHXWWIQDNUAKA-BNOWGMLFSA-N -1 1 352.381 2.076 20 0 FEADMM COc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c2ccccc12 ZINC000630223202 601092733 /nfs/dbraw/zinc/09/27/33/601092733.db2.gz IOVUPRUMOQOXQM-CQSZACIVSA-N -1 1 356.422 2.469 20 0 FEADMM CC(C)(C)c1nc([C@@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)n[nH]1 ZINC000736300417 601106354 /nfs/dbraw/zinc/10/63/54/601106354.db2.gz XVAIXUYFTUAYSY-KBPBESRZSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)[nH]1 ZINC000736300417 601106355 /nfs/dbraw/zinc/10/63/55/601106355.db2.gz XVAIXUYFTUAYSY-KBPBESRZSA-N -1 1 362.405 2.441 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630223705 601107303 /nfs/dbraw/zinc/10/73/03/601107303.db2.gz KVGJIGINKNWBBQ-CQSZACIVSA-N -1 1 370.453 2.110 20 0 FEADMM COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C/C=C(/C)C(=O)[O-] ZINC000831148734 601154027 /nfs/dbraw/zinc/15/40/27/601154027.db2.gz XVIKZHQGTCARGM-LGVHXXEASA-N -1 1 363.410 2.197 20 0 FEADMM COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C/C=C(/C)C(=O)[O-] ZINC000831148732 601154047 /nfs/dbraw/zinc/15/40/47/601154047.db2.gz XVIKZHQGTCARGM-HYMFSAHRSA-N -1 1 363.410 2.197 20 0 FEADMM Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000832941771 601156717 /nfs/dbraw/zinc/15/67/17/601156717.db2.gz YWPOLCKRHZXUIJ-KRWDZBQOSA-N -1 1 369.421 2.051 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000828707907 601170934 /nfs/dbraw/zinc/17/09/34/601170934.db2.gz IQTNLCPQCTTXTE-VDZJLULYSA-N -1 1 361.486 2.203 20 0 FEADMM CN(CCNC(=O)N1CCC(CC(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000830785394 601195923 /nfs/dbraw/zinc/19/59/23/601195923.db2.gz RAGUVRPSECKRPX-UHFFFAOYSA-N -1 1 351.422 2.154 20 0 FEADMM CC(C)CN(CCC(=O)[O-])Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000826875926 601312245 /nfs/dbraw/zinc/31/22/45/601312245.db2.gz NJUVCVZTHWSZOW-UHFFFAOYSA-N -1 1 362.409 2.269 20 0 FEADMM CCCCNC(=O)C1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000829394880 601397209 /nfs/dbraw/zinc/39/72/09/601397209.db2.gz AXQKIWDAWGBTIL-UHFFFAOYSA-N -1 1 358.442 2.320 20 0 FEADMM COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(CCCC(=O)[O-])CC1 ZINC000831084516 601425936 /nfs/dbraw/zinc/42/59/36/601425936.db2.gz MOPZRBWPZGUTPC-MRXNPFEDSA-N -1 1 354.834 2.037 20 0 FEADMM CCC1CCC(NCC(=O)NCCc2ccccc2OC)(C(=O)[O-])CC1 ZINC000829101277 601495896 /nfs/dbraw/zinc/49/58/96/601495896.db2.gz MGWCZRJTCZBESC-UHFFFAOYSA-N -1 1 362.470 2.367 20 0 FEADMM COC(=O)c1sc(NC(=O)CN2CC[C@@H](C(C)C)C2)c(C(=O)[O-])c1C ZINC000831475198 601497540 /nfs/dbraw/zinc/49/75/40/601497540.db2.gz ICBWVVRCOLTVIG-LLVKDONJSA-N -1 1 368.455 2.458 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829872866 601516223 /nfs/dbraw/zinc/51/62/23/601516223.db2.gz BCSPZUGGUBLXSU-GAFUQQFSSA-N -1 1 368.455 2.213 20 0 FEADMM CCOc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OCC ZINC000830080491 601516969 /nfs/dbraw/zinc/51/69/69/601516969.db2.gz NQYGJDPLBBNAHC-OCCSQVGLSA-N -1 1 350.415 2.075 20 0 FEADMM C[C@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000828465384 601522034 /nfs/dbraw/zinc/52/20/34/601522034.db2.gz XLMQYCDMIIHWEY-WFASDCNBSA-N -1 1 359.451 2.477 20 0 FEADMM C[C@H]1CN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1C(=O)[O-] ZINC000828442201 601533914 /nfs/dbraw/zinc/53/39/14/601533914.db2.gz YHNMBQQAPUEMOY-GXTWGEPZSA-N -1 1 360.410 2.319 20 0 FEADMM CCCCO[C@H]1C[C@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC000582671618 601564253 /nfs/dbraw/zinc/56/42/53/601564253.db2.gz RTSHHYUNMBFBDZ-HOTGVXAUSA-N -1 1 354.491 2.225 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1(CC)CC ZINC000570689477 601597693 /nfs/dbraw/zinc/59/76/93/601597693.db2.gz NSKJZXQCTXWCHR-CVEARBPZSA-N -1 1 354.491 2.225 20 0 FEADMM Cn1cnc([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)n1 ZINC000558357953 674492214 /nfs/dbraw/zinc/49/22/14/674492214.db2.gz WXZSBOHONZGPAM-UHFFFAOYSA-N -1 1 368.180 2.941 20 0 FEADMM CCOC(=O)c1c(NC(=O)CN[C@H](C(=O)[O-])C(C)C)sc2c1CCC2 ZINC000829873097 601823641 /nfs/dbraw/zinc/82/36/41/601823641.db2.gz LMNVBCLNEMMKFD-AWEZNQCLSA-N -1 1 368.455 2.051 20 0 FEADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(N2CCCC2)nc1 ZINC000833295449 601847687 /nfs/dbraw/zinc/84/76/87/601847687.db2.gz XFRWNUQIWILRAB-UHFFFAOYSA-N -1 1 365.386 2.320 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC000826486827 607531320 /nfs/dbraw/zinc/53/13/20/607531320.db2.gz SLNKXRFUQBMSFM-MRXNPFEDSA-N -1 1 355.423 2.254 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC000826486827 607531322 /nfs/dbraw/zinc/53/13/22/607531322.db2.gz SLNKXRFUQBMSFM-MRXNPFEDSA-N -1 1 355.423 2.254 20 0 FEADMM CN(Cc1ccc(C(N)=O)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830819399 601903200 /nfs/dbraw/zinc/90/32/00/601903200.db2.gz JELHIQQLHXZHFZ-OAHLLOKOSA-N -1 1 352.312 2.461 20 0 FEADMM CSc1ccc(CN(C)C(=O)CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000832777427 601925377 /nfs/dbraw/zinc/92/53/77/601925377.db2.gz MOVFNSPQMCKEJV-CQSZACIVSA-N -1 1 368.524 2.259 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000833011019 601928719 /nfs/dbraw/zinc/92/87/19/601928719.db2.gz BDGWTIMYGHBJDP-IBGZPJMESA-N -1 1 356.426 2.224 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000739059045 601938899 /nfs/dbraw/zinc/93/88/99/601938899.db2.gz QULJYDXAKOFFRJ-NWDGAFQWSA-N -1 1 355.385 2.074 20 0 FEADMM CC[C@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000739262757 601944864 /nfs/dbraw/zinc/94/48/64/601944864.db2.gz MDNLPOLUKYICIO-WFASDCNBSA-N -1 1 353.850 2.497 20 0 FEADMM Cc1nc(C)c(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)s1 ZINC000832994876 601977784 /nfs/dbraw/zinc/97/77/84/601977784.db2.gz QNLAGTUNIGRCSE-UHFFFAOYSA-N -1 1 368.480 2.049 20 0 FEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398179107 601989288 /nfs/dbraw/zinc/98/92/88/601989288.db2.gz HCBHFKPXQFJCMD-YOEHRIQHSA-N -1 1 374.462 2.326 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])n[nH]1 ZINC000740241991 602011769 /nfs/dbraw/zinc/01/17/69/602011769.db2.gz HLKZJSDDECCNDM-MEBBXXQBSA-N -1 1 374.445 2.078 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)n[nH]2)cc1OC ZINC000263220342 602017641 /nfs/dbraw/zinc/01/76/41/602017641.db2.gz YOHRGGFUBAHKLT-SFHVURJKSA-N -1 1 359.382 2.031 20 0 FEADMM O=C([O-])CCCOc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000833227734 602019797 /nfs/dbraw/zinc/01/97/97/602019797.db2.gz MFVSYSHIQBVZBH-HNNXBMFYSA-N -1 1 357.410 2.390 20 0 FEADMM O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501492 607539877 /nfs/dbraw/zinc/53/98/77/607539877.db2.gz SPVREIRLVABKQN-UHFFFAOYSA-N -1 1 356.695 2.144 20 0 FEADMM O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501492 607539878 /nfs/dbraw/zinc/53/98/78/607539878.db2.gz SPVREIRLVABKQN-UHFFFAOYSA-N -1 1 356.695 2.144 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)c1cccs1 ZINC000739605839 602054219 /nfs/dbraw/zinc/05/42/19/602054219.db2.gz CZELYINLZGJGAU-CHWSQXEVSA-N -1 1 354.476 2.135 20 0 FEADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000829960282 602076487 /nfs/dbraw/zinc/07/64/87/602076487.db2.gz DQVWAKPIEDVVJA-AWEZNQCLSA-N -1 1 351.790 2.292 20 0 FEADMM Cn1c(=O)c2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2[nH]c1=S ZINC000738403578 602076799 /nfs/dbraw/zinc/07/67/99/602076799.db2.gz OFXKINMADODMJO-UHFFFAOYSA-N -1 1 369.402 2.102 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccccc2)sc1C ZINC000558445398 674496359 /nfs/dbraw/zinc/49/63/59/674496359.db2.gz XQYAZSLUTRHSDY-HOCLYGCPSA-N -1 1 352.481 2.204 20 0 FEADMM COc1ccsc1CNCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000832637500 602232921 /nfs/dbraw/zinc/23/29/21/602232921.db2.gz RCIIKTBTLPVOEX-UHFFFAOYSA-N -1 1 369.464 2.046 20 0 FEADMM Cc1n[nH]c([C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000832997242 602234190 /nfs/dbraw/zinc/23/41/90/602234190.db2.gz UTOULZUKASKSNY-WFASDCNBSA-N -1 1 371.441 2.326 20 0 FEADMM Cc1nnc([C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)[nH]1 ZINC000832997242 602234193 /nfs/dbraw/zinc/23/41/93/602234193.db2.gz UTOULZUKASKSNY-WFASDCNBSA-N -1 1 371.441 2.326 20 0 FEADMM Cc1ccccc1CC(=O)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000740181177 602267348 /nfs/dbraw/zinc/26/73/48/602267348.db2.gz NLGYCODKXHNLRS-UHFFFAOYSA-N -1 1 359.470 2.072 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCN(C)C)C1CCCC1 ZINC000185112514 602300951 /nfs/dbraw/zinc/30/09/51/602300951.db2.gz XLNXMJRKYSXYHL-UHFFFAOYSA-N -1 1 354.472 2.188 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000828451953 602387454 /nfs/dbraw/zinc/38/74/54/602387454.db2.gz XTRBPNZGKBKWEF-VXGBXAGGSA-N -1 1 353.394 2.145 20 0 FEADMM CCN(CCNC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000739430169 602441921 /nfs/dbraw/zinc/44/19/21/602441921.db2.gz CVXWKEDVPDWFTP-AWEZNQCLSA-N -1 1 352.435 2.024 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000739014577 602445970 /nfs/dbraw/zinc/44/59/70/602445970.db2.gz HCPJKWMPEKNZSC-ZIAGYGMSSA-N -1 1 365.449 2.241 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739060233 602533180 /nfs/dbraw/zinc/53/31/80/602533180.db2.gz WMXPORPDOJHRKS-UONOGXRCSA-N -1 1 351.422 2.277 20 0 FEADMM O=S(=O)(Oc1cccc2cccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826494034 607572628 /nfs/dbraw/zinc/57/26/28/607572628.db2.gz MHWOGCWIYLCFLG-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=S(=O)(Oc1cccc2cccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826494034 607572629 /nfs/dbraw/zinc/57/26/29/607572629.db2.gz MHWOGCWIYLCFLG-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824079303 607572754 /nfs/dbraw/zinc/57/27/54/607572754.db2.gz OFONSFJBAVMFOX-UHFFFAOYSA-N -1 1 355.439 2.499 20 0 FEADMM CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824079303 607572756 /nfs/dbraw/zinc/57/27/56/607572756.db2.gz OFONSFJBAVMFOX-UHFFFAOYSA-N -1 1 355.439 2.499 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)c2nnc3ccccc3c2O)c1 ZINC000740666794 602592012 /nfs/dbraw/zinc/59/20/12/602592012.db2.gz AUMKQMZFPBGZFM-UHFFFAOYSA-N -1 1 368.349 2.234 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)Cc2ccccc21 ZINC000824992009 607578359 /nfs/dbraw/zinc/57/83/59/607578359.db2.gz INKUUYMJEMNSQL-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)Cc2ccccc21 ZINC000824992009 607578360 /nfs/dbraw/zinc/57/83/60/607578360.db2.gz INKUUYMJEMNSQL-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM CCCCn1nc(C)c(CNCCN2CCN(C(=O)[O-])CC2)c1Cl ZINC000739349493 602649211 /nfs/dbraw/zinc/64/92/11/602649211.db2.gz HYOJPVRPGKZRGX-UHFFFAOYSA-N -1 1 357.886 2.030 20 0 FEADMM C[C@@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@@H]1NC(=O)[O-] ZINC000739136383 602836277 /nfs/dbraw/zinc/83/62/77/602836277.db2.gz FGNRBMWHKQYTHZ-WBMJQRKESA-N -1 1 366.437 2.075 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000740699191 602851494 /nfs/dbraw/zinc/85/14/94/602851494.db2.gz RIELBJMVHWKRAW-UHFFFAOYSA-N -1 1 370.409 2.272 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739139327 602887799 /nfs/dbraw/zinc/88/77/99/602887799.db2.gz UAXIWPOOHLAJTF-YRGRVCCFSA-N -1 1 354.476 2.133 20 0 FEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000738665845 602924128 /nfs/dbraw/zinc/92/41/28/602924128.db2.gz TZMIVMOQQIDBGR-UHFFFAOYSA-N -1 1 374.441 2.192 20 0 FEADMM C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824936345 607596938 /nfs/dbraw/zinc/59/69/38/607596938.db2.gz GOMMJGUBIJOGRG-MNOVXSKESA-N -1 1 353.423 2.110 20 0 FEADMM C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824936345 607596940 /nfs/dbraw/zinc/59/69/40/607596940.db2.gz GOMMJGUBIJOGRG-MNOVXSKESA-N -1 1 353.423 2.110 20 0 FEADMM CC(C)O[C@]1(CS(=O)(=O)[N-]c2c(F)cc(F)cc2F)CCOC1 ZINC000634789421 677082422 /nfs/dbraw/zinc/08/24/22/677082422.db2.gz NDLAAZLNAKFZAI-CQSZACIVSA-N -1 1 353.362 2.430 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])c1cccs1 ZINC000827994535 603003968 /nfs/dbraw/zinc/00/39/68/603003968.db2.gz LZWWTORSMGLSFP-RWMBFGLXSA-N -1 1 354.476 2.086 20 0 FEADMM CC(C)(CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)NC(=O)[O-] ZINC000738733840 603026079 /nfs/dbraw/zinc/02/60/79/603026079.db2.gz ZREWIWAHSQUXGP-UHFFFAOYSA-N -1 1 351.422 2.343 20 0 FEADMM O=C([O-])N1CSC[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000831810230 603198897 /nfs/dbraw/zinc/19/88/97/603198897.db2.gz KIJZSGFZXYMTJZ-VIFPVBQESA-N -1 1 371.216 2.317 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000738558986 603257103 /nfs/dbraw/zinc/25/71/03/603257103.db2.gz DCFVNGRIYZRZLN-GJZGRUSLSA-N -1 1 364.446 2.167 20 0 FEADMM O=C([O-])N1CC[C@H](CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000740468287 603351541 /nfs/dbraw/zinc/35/15/41/603351541.db2.gz ZWVNFISCGQEPCO-PBHICJAKSA-N -1 1 373.453 2.414 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)C[C@H](C)NC(=O)[O-])N1CCCCC1 ZINC000829593421 603369817 /nfs/dbraw/zinc/36/98/17/603369817.db2.gz ZSLXSCJITMFQTK-HOCLYGCPSA-N -1 1 363.458 2.385 20 0 FEADMM Cc1[nH]nc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1Br ZINC000830673397 603480172 /nfs/dbraw/zinc/48/01/72/603480172.db2.gz UCEJPQKAOWRLMI-UHFFFAOYSA-N -1 1 359.224 2.131 20 0 FEADMM CCN(CC1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000827093717 603503144 /nfs/dbraw/zinc/50/31/44/603503144.db2.gz SSWQRCADHXXSGG-UHFFFAOYSA-N -1 1 365.449 2.496 20 0 FEADMM CN(CC(C)(C)CNC(=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000828138312 603517230 /nfs/dbraw/zinc/51/72/30/603517230.db2.gz YWEJAGMGVCIQGQ-CQSZACIVSA-N -1 1 366.462 2.352 20 0 FEADMM O=C([O-])N1CC(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000831356036 603556477 /nfs/dbraw/zinc/55/64/77/603556477.db2.gz SYLKGDDZPHXSCE-UHFFFAOYSA-N -1 1 365.861 2.421 20 0 FEADMM C[C@@H](C(=O)N1CCC(c2nc[nH]n2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662773 603560824 /nfs/dbraw/zinc/56/08/24/603560824.db2.gz PTTMGBNNOLRHFO-DOMZBBRYSA-N -1 1 357.414 2.156 20 0 FEADMM CN(C)[C@H](CNC(=O)C1(CNC(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000827993234 603619059 /nfs/dbraw/zinc/61/90/59/603619059.db2.gz BXMHFVJVRSPWIW-OAHLLOKOSA-N -1 1 351.422 2.373 20 0 FEADMM CN(C(=O)NCCN1CCc2ccccc2C1)C1CCC(NC(=O)[O-])CC1 ZINC000827793620 603620381 /nfs/dbraw/zinc/62/03/81/603620381.db2.gz DBBFCGFACYRSIM-UHFFFAOYSA-N -1 1 374.485 2.265 20 0 FEADMM COc1ccc(OC)c([C@H](O)CN2CCC[C@H](C)[C@@H]2CNC(=O)[O-])c1 ZINC000829493633 603722217 /nfs/dbraw/zinc/72/22/17/603722217.db2.gz AULMIWYBRSYHNO-VBNZEHGJSA-N -1 1 352.431 2.105 20 0 FEADMM COc1ccc(OC)c([C@H](O)CN2CCC[C@H](C)[C@H]2CNC(=O)[O-])c1 ZINC000829493630 603722324 /nfs/dbraw/zinc/72/23/24/603722324.db2.gz AULMIWYBRSYHNO-APHBMKBZSA-N -1 1 352.431 2.105 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262709 603742971 /nfs/dbraw/zinc/74/29/71/603742971.db2.gz XBRFZBKVGPXLRY-HUUCEWRRSA-N -1 1 364.446 2.167 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H](C)N1C(=O)[O-] ZINC000826034554 603795503 /nfs/dbraw/zinc/79/55/03/603795503.db2.gz KJGFEDDWOUCIDL-OKILXGFUSA-N -1 1 354.410 2.460 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000826088361 603868004 /nfs/dbraw/zinc/86/80/04/603868004.db2.gz XILPBFCYJDSKIV-FPCVCCKLSA-N -1 1 352.479 2.081 20 0 FEADMM C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCN1C(=O)[O-] ZINC000825997178 603887360 /nfs/dbraw/zinc/88/73/60/603887360.db2.gz XDCDGIHRHWWQRK-GJZGRUSLSA-N -1 1 364.446 2.200 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccncc3F)cc2)n1 ZINC000832729657 603913662 /nfs/dbraw/zinc/91/36/62/603913662.db2.gz HNRJKAWHJINTNZ-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccncc3F)cc2)n[nH]1 ZINC000832729657 603913664 /nfs/dbraw/zinc/91/36/64/603913664.db2.gz HNRJKAWHJINTNZ-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM O=C([O-])NCC1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000832590263 603962711 /nfs/dbraw/zinc/96/27/11/603962711.db2.gz RAYVHLOBLRAFPF-HNNXBMFYSA-N -1 1 351.834 2.425 20 0 FEADMM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823653662 603979329 /nfs/dbraw/zinc/97/93/29/603979329.db2.gz DIYFBKCZHASYLQ-XYPHTWIQSA-N -1 1 363.433 2.389 20 0 FEADMM CN(CC(=O)Nc1nc2c(s1)CCCC2)C1CCN(C(=O)[O-])CC1 ZINC000828120437 603983715 /nfs/dbraw/zinc/98/37/15/603983715.db2.gz NSNRCUGKOGQVIN-UHFFFAOYSA-N -1 1 352.460 2.035 20 0 FEADMM CN(CC(=O)Nc1ccc(Br)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828114645 603993636 /nfs/dbraw/zinc/99/36/36/603993636.db2.gz JHDSOZFFUQCYKM-UHFFFAOYSA-N -1 1 370.247 2.462 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827995140 603994019 /nfs/dbraw/zinc/99/40/19/603994019.db2.gz QKSSNNZTLOXJPJ-PBHICJAKSA-N -1 1 353.850 2.449 20 0 FEADMM Cc1cc([C@H]2CCCN2C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])on1 ZINC000830031840 604034470 /nfs/dbraw/zinc/03/44/70/604034470.db2.gz ZDABLJKBFQNLGU-BBWFWOEESA-N -1 1 359.426 2.360 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000825252999 604251640 /nfs/dbraw/zinc/25/16/40/604251640.db2.gz HOOVOTWAXJNCAD-KCQAQPDRSA-N 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604571808 /nfs/dbraw/zinc/57/18/08/604571808.db2.gz LYEZCEWCDATBFP-HNNXBMFYSA-N -1 1 366.849 2.138 20 0 FEADMM CCOc1ccnc(N2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)n1 ZINC000830117376 604682308 /nfs/dbraw/zinc/68/23/08/604682308.db2.gz WTHBFKMUKGGUTD-UHFFFAOYSA-N -1 1 374.416 2.425 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833612574 604687858 /nfs/dbraw/zinc/68/78/58/604687858.db2.gz VHCFQEFNSWKIKB-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000830237083 604764586 /nfs/dbraw/zinc/76/45/86/604764586.db2.gz GOOWSGGVTQHVQQ-UXHICEINSA-N -1 1 373.453 2.160 20 0 FEADMM O=C([O-])COc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1Cl ZINC000833255455 604919012 /nfs/dbraw/zinc/91/90/12/604919012.db2.gz KHEVGSJLTHZBDY-UHFFFAOYSA-N -1 1 367.833 2.363 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000833420967 604940674 /nfs/dbraw/zinc/94/06/74/604940674.db2.gz DVMBOAJUEHXCTB-LLVKDONJSA-N -1 1 360.414 2.030 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000392617152 604951650 /nfs/dbraw/zinc/95/16/50/604951650.db2.gz CRZAWWFLJNVBGP-OAHLLOKOSA-N -1 1 364.467 2.155 20 0 FEADMM Clc1ccc(N2CC[C@@H](OCc3ccncc3)C2)nc1-c1nnn[n-]1 ZINC000826351879 607728277 /nfs/dbraw/zinc/72/82/77/607728277.db2.gz FLYRFJWZLALVGJ-GFCCVEGCSA-N -1 1 357.805 2.106 20 0 FEADMM Clc1ccc(N2CC[C@@H](OCc3ccncc3)C2)nc1-c1nn[n-]n1 ZINC000826351879 607728279 /nfs/dbraw/zinc/72/82/79/607728279.db2.gz FLYRFJWZLALVGJ-GFCCVEGCSA-N -1 1 357.805 2.106 20 0 FEADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000324964486 605047602 /nfs/dbraw/zinc/04/76/02/605047602.db2.gz YERKAHNTKMZVJC-NSHDSACASA-N -1 1 368.480 2.314 20 0 FEADMM CN(CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)[C@@H]1CCSC1 ZINC000833690693 605051282 /nfs/dbraw/zinc/05/12/82/605051282.db2.gz AWGRNQPJXXRAOF-CYBMUJFWSA-N -1 1 372.437 2.205 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Br)cc1F ZINC000833626082 605102847 /nfs/dbraw/zinc/10/28/47/605102847.db2.gz MUFZWLLVYXDKHR-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833541123 605114062 /nfs/dbraw/zinc/11/40/62/605114062.db2.gz YXXFQXRZQBNQSJ-RYUDHWBXSA-N -1 1 372.824 2.254 20 0 FEADMM CC(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@@H](C)C1 ZINC000823972460 607735796 /nfs/dbraw/zinc/73/57/96/607735796.db2.gz BPYVBDCULVPYFO-FZMZJTMJSA-N -1 1 351.414 2.084 20 0 FEADMM CC(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@@H](C)C1 ZINC000823972460 607735797 /nfs/dbraw/zinc/73/57/97/607735797.db2.gz BPYVBDCULVPYFO-FZMZJTMJSA-N -1 1 351.414 2.084 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1nc2ccccc2s1 ZINC000833619967 605158423 /nfs/dbraw/zinc/15/84/23/605158423.db2.gz JKXREXYYZLIEHL-YBJDMEARSA-N -1 1 359.451 2.317 20 0 FEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833627755 605175545 /nfs/dbraw/zinc/17/55/45/605175545.db2.gz UCGPJIBEJAKGKA-MFKMUULPSA-N -1 1 360.863 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/nfs/dbraw/zinc/37/20/32/605372032.db2.gz LAOAGPZQWORWTD-JSGCOSHPSA-N -1 1 372.429 2.049 20 0 FEADMM CC[C@H]1CN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC[C@@H]1NC(=O)[O-] ZINC000833847984 605372039 /nfs/dbraw/zinc/37/20/39/605372039.db2.gz LAOAGPZQWORWTD-JSGCOSHPSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@H](CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)NC(=O)[O-] ZINC000833800672 605374790 /nfs/dbraw/zinc/37/47/90/605374790.db2.gz PUADFQDHMGBWRN-OCCSQVGLSA-N -1 1 357.414 2.224 20 0 FEADMM Cn1c(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)nnc1-c1ccccc1 ZINC000833941426 605445226 /nfs/dbraw/zinc/44/52/26/605445226.db2.gz LOMXXYUXHJQXON-HRCADAONSA-N -1 1 355.442 2.350 20 0 FEADMM O=C([O-])N[C@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000834182864 605492789 /nfs/dbraw/zinc/49/27/89/605492789.db2.gz NZOADUORQMJJLG-AWEZNQCLSA-N -1 1 358.398 2.080 20 0 FEADMM O=C([O-])N1CCC[C@@H]1C1CCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000834108167 605496516 /nfs/dbraw/zinc/49/65/16/605496516.db2.gz PBFUEZFCKLEODO-QGZVFWFLSA-N -1 1 359.474 2.431 20 0 FEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000834241785 605566465 /nfs/dbraw/zinc/56/64/65/605566465.db2.gz UPMUATWRAVEIII-GFCCVEGCSA-N -1 1 357.813 2.075 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000826356819 607764348 /nfs/dbraw/zinc/76/43/48/607764348.db2.gz HHTXXWRPTTWEML-GFCCVEGCSA-N -1 1 358.793 2.233 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000826356819 607764349 /nfs/dbraw/zinc/76/43/49/607764349.db2.gz HHTXXWRPTTWEML-GFCCVEGCSA-N -1 1 358.793 2.233 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000834247129 605692400 /nfs/dbraw/zinc/69/24/00/605692400.db2.gz UCHWRCLCWJMHTN-OAHLLOKOSA-N -1 1 351.366 2.092 20 0 FEADMM NC(=O)[C@H]1CCCN1Cc1cccc(NC2CCC(NC(=O)[O-])CC2)c1 ZINC000833982418 605694626 /nfs/dbraw/zinc/69/46/26/605694626.db2.gz UQMXYETXJGVDIQ-VMBOVVBDSA-N -1 1 360.458 2.127 20 0 FEADMM O=C([O-])NC1(C(=O)OCc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000834154730 605781893 /nfs/dbraw/zinc/78/18/93/605781893.db2.gz HSLLMGMHNGZXBF-UHFFFAOYSA-N -1 1 354.160 2.169 20 0 FEADMM O=C([O-])N1CC[C@H](N(C(=O)Nc2cnn(-c3ccncc3)c2)C2CC2)C1 ZINC000831934573 605894771 /nfs/dbraw/zinc/89/47/71/605894771.db2.gz KZEJOSOCZCZKJP-HNNXBMFYSA-N -1 1 356.386 2.016 20 0 FEADMM CCS(=O)(=O)CCN[C@@H](c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833863025 605981819 /nfs/dbraw/zinc/98/18/19/605981819.db2.gz FOVLIXSTEHTWGW-INIZCTEOSA-N -1 1 372.462 2.281 20 0 FEADMM O=C([O-])N[C@@H](CC(F)F)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000834135718 606000766 /nfs/dbraw/zinc/00/07/66/606000766.db2.gz ZFEBPJRPQZOGAS-RYUDHWBXSA-N -1 1 359.373 2.214 20 0 FEADMM O=C([O-])NCC1(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCCC1 ZINC000834206154 606094648 /nfs/dbraw/zinc/09/46/48/606094648.db2.gz GZEGHAHTGUBELA-ZDUSSCGKSA-N -1 1 361.446 2.216 20 0 FEADMM COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821782892 606137558 /nfs/dbraw/zinc/13/75/58/606137558.db2.gz RGOHUIYFURFPPL-UHFFFAOYSA-N -1 1 373.394 2.041 20 0 FEADMM COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821782892 606137560 /nfs/dbraw/zinc/13/75/60/606137560.db2.gz RGOHUIYFURFPPL-UHFFFAOYSA-N -1 1 373.394 2.041 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)Cc2ccccc2Cl)n1 ZINC000822610024 606160184 /nfs/dbraw/zinc/16/01/84/606160184.db2.gz ZJRMGSCGBKKBEC-UHFFFAOYSA-N -1 1 374.836 2.396 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)Cc2ccccc2Cl)n1 ZINC000822610024 606160185 /nfs/dbraw/zinc/16/01/85/606160185.db2.gz ZJRMGSCGBKKBEC-UHFFFAOYSA-N -1 1 374.836 2.396 20 0 FEADMM Cc1ccccc1[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CC1 ZINC000822351606 606166799 /nfs/dbraw/zinc/16/67/99/606166799.db2.gz PIMOOAREOCKBOG-AWEZNQCLSA-N -1 1 352.402 2.181 20 0 FEADMM Cc1ccccc1[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CC1 ZINC000822351606 606166801 /nfs/dbraw/zinc/16/68/01/606166801.db2.gz PIMOOAREOCKBOG-AWEZNQCLSA-N -1 1 352.402 2.181 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OC(C)(C)C)cc2)n1 ZINC000822620483 606172296 /nfs/dbraw/zinc/17/22/96/606172296.db2.gz SROFKTIHRBCEOB-UHFFFAOYSA-N -1 1 370.417 2.099 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OC(C)(C)C)cc2)n1 ZINC000822620483 606172298 /nfs/dbraw/zinc/17/22/98/606172298.db2.gz SROFKTIHRBCEOB-UHFFFAOYSA-N -1 1 370.417 2.099 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)c2ccc(Cl)cc2)n1 ZINC000822608232 606172862 /nfs/dbraw/zinc/17/28/62/606172862.db2.gz BUJXFLBXLBOKSA-UHFFFAOYSA-N -1 1 360.809 2.310 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)c2ccc(Cl)cc2)n1 ZINC000822608232 606172864 /nfs/dbraw/zinc/17/28/64/606172864.db2.gz BUJXFLBXLBOKSA-UHFFFAOYSA-N -1 1 360.809 2.310 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933161 606178242 /nfs/dbraw/zinc/17/82/42/606178242.db2.gz IAZDEJKCIBXLJV-SECBINFHSA-N -1 1 365.415 2.094 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933161 606178243 /nfs/dbraw/zinc/17/82/43/606178243.db2.gz IAZDEJKCIBXLJV-SECBINFHSA-N -1 1 365.415 2.094 20 0 FEADMM COCCOCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000821693156 606203812 /nfs/dbraw/zinc/20/38/12/606203812.db2.gz UPNLAHROBQWKMG-UHFFFAOYSA-N -1 1 363.365 2.344 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000822258708 606238405 /nfs/dbraw/zinc/23/84/05/606238405.db2.gz APSHGXUBSMPQAZ-NSHDSACASA-N -1 1 358.427 2.370 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000822258708 606238406 /nfs/dbraw/zinc/23/84/06/606238406.db2.gz APSHGXUBSMPQAZ-NSHDSACASA-N -1 1 358.427 2.370 20 0 FEADMM CSc1nc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c2ccccn21 ZINC000559254676 674533892 /nfs/dbraw/zinc/53/38/92/674533892.db2.gz NYUHJQDZLXWZAE-SNVBAGLBSA-N -1 1 359.411 2.165 20 0 FEADMM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821864142 606292875 /nfs/dbraw/zinc/29/28/75/606292875.db2.gz UFNOVVTYELGRGK-ZIAGYGMSSA-N -1 1 351.366 2.323 20 0 FEADMM O=C(COc1ccc2c(c1)CCC2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823040913 606295788 /nfs/dbraw/zinc/29/57/88/606295788.db2.gz SECRBDCKHNHAPC-UHFFFAOYSA-N -1 1 351.366 2.079 20 0 FEADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820641347 606345436 /nfs/dbraw/zinc/34/54/36/606345436.db2.gz BVEKDPYRLCPVCD-WCQYABFASA-N -1 1 352.402 2.010 20 0 FEADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820641347 606345438 /nfs/dbraw/zinc/34/54/38/606345438.db2.gz BVEKDPYRLCPVCD-WCQYABFASA-N -1 1 352.402 2.010 20 0 FEADMM CC(C)(C)N1C[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1=O ZINC000819913914 606420757 /nfs/dbraw/zinc/42/07/57/606420757.db2.gz HFZRSFKPJARGLC-NSHDSACASA-N -1 1 351.414 2.226 20 0 FEADMM CC(C)(C)N1C[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1=O ZINC000819913914 606420758 /nfs/dbraw/zinc/42/07/58/606420758.db2.gz HFZRSFKPJARGLC-NSHDSACASA-N -1 1 351.414 2.226 20 0 FEADMM C[S@](=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000821942709 606430894 /nfs/dbraw/zinc/43/08/94/606430894.db2.gz PWPKMUGGQHPBGZ-SANMLTNESA-N -1 1 365.422 2.159 20 0 FEADMM C[S@](=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000821942709 606430895 /nfs/dbraw/zinc/43/08/95/606430895.db2.gz PWPKMUGGQHPBGZ-SANMLTNESA-N -1 1 365.422 2.159 20 0 FEADMM Clc1ccc(Sc2nnnn2-c2ccccc2)nc1-c1nnn[n-]1 ZINC000822582783 606439263 /nfs/dbraw/zinc/43/92/63/606439263.db2.gz WMGJJLSMMIGWEH-UHFFFAOYSA-N -1 1 357.790 2.042 20 0 FEADMM Clc1ccc(Sc2nnnn2-c2ccccc2)nc1-c1nn[n-]n1 ZINC000822582783 606439265 /nfs/dbraw/zinc/43/92/65/606439265.db2.gz WMGJJLSMMIGWEH-UHFFFAOYSA-N -1 1 357.790 2.042 20 0 FEADMM CN(CC(=O)N(C)C1CCCCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821592820 606466605 /nfs/dbraw/zinc/46/66/05/606466605.db2.gz WTOFWKJYDSNMCK-UHFFFAOYSA-N -1 1 363.853 2.142 20 0 FEADMM CN(CC(=O)N(C)C1CCCCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821592820 606466607 /nfs/dbraw/zinc/46/66/07/606466607.db2.gz WTOFWKJYDSNMCK-UHFFFAOYSA-N -1 1 363.853 2.142 20 0 FEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821640264 606468717 /nfs/dbraw/zinc/46/87/17/606468717.db2.gz DZQCTMVDKYKFBN-LLVKDONJSA-N -1 1 358.789 2.284 20 0 FEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821640264 606468718 /nfs/dbraw/zinc/46/87/18/606468718.db2.gz DZQCTMVDKYKFBN-LLVKDONJSA-N -1 1 358.789 2.284 20 0 FEADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820270301 606470159 /nfs/dbraw/zinc/47/01/59/606470159.db2.gz ZSNVEJKLJFMEAF-VIFPVBQESA-N -1 1 367.841 2.265 20 0 FEADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820270301 606470162 /nfs/dbraw/zinc/47/01/62/606470162.db2.gz ZSNVEJKLJFMEAF-VIFPVBQESA-N -1 1 367.841 2.265 20 0 FEADMM COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821835449 606490481 /nfs/dbraw/zinc/49/04/81/606490481.db2.gz LCTXGFUHPDEDBZ-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821835449 606490482 /nfs/dbraw/zinc/49/04/82/606490482.db2.gz LCTXGFUHPDEDBZ-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372598 606517329 /nfs/dbraw/zinc/51/73/29/606517329.db2.gz HEYGXTVTIMKZDJ-UHFFFAOYSA-N -1 1 370.438 2.142 20 0 FEADMM O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372598 606517331 /nfs/dbraw/zinc/51/73/31/606517331.db2.gz HEYGXTVTIMKZDJ-UHFFFAOYSA-N -1 1 370.438 2.142 20 0 FEADMM O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350372 606529973 /nfs/dbraw/zinc/52/99/73/606529973.db2.gz KVMQBAVCQOMMIL-UHFFFAOYSA-N -1 1 356.367 2.137 20 0 FEADMM O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350372 606529974 /nfs/dbraw/zinc/52/99/74/606529974.db2.gz KVMQBAVCQOMMIL-UHFFFAOYSA-N -1 1 356.367 2.137 20 0 FEADMM Cc1nc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccccc12 ZINC000822444419 606545791 /nfs/dbraw/zinc/54/57/91/606545791.db2.gz QEUXXFJXQYVVKQ-UHFFFAOYSA-N -1 1 351.395 2.110 20 0 FEADMM Cc1nc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc12 ZINC000822444419 606545793 /nfs/dbraw/zinc/54/57/93/606545793.db2.gz QEUXXFJXQYVVKQ-UHFFFAOYSA-N -1 1 351.395 2.110 20 0 FEADMM Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822197885 606553578 /nfs/dbraw/zinc/55/35/78/606553578.db2.gz SSOVHBAQSGASPX-CYBMUJFWSA-N -1 1 371.470 2.436 20 0 FEADMM Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822197885 606553580 /nfs/dbraw/zinc/55/35/80/606553580.db2.gz SSOVHBAQSGASPX-CYBMUJFWSA-N -1 1 371.470 2.436 20 0 FEADMM CC(C)c1ncc2c(n1)CN(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000820206266 606577200 /nfs/dbraw/zinc/57/72/00/606577200.db2.gz HIXDDVNRJNNPHY-UHFFFAOYSA-N -1 1 355.427 2.040 20 0 FEADMM CC(C)c1ncc2c(n1)CN(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000820206266 606577202 /nfs/dbraw/zinc/57/72/02/606577202.db2.gz HIXDDVNRJNNPHY-UHFFFAOYSA-N -1 1 355.427 2.040 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820562645 606596534 /nfs/dbraw/zinc/59/65/34/606596534.db2.gz IABQXYVITGAMSS-VIFPVBQESA-N -1 1 360.809 2.479 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820562645 606596536 /nfs/dbraw/zinc/59/65/36/606596536.db2.gz IABQXYVITGAMSS-VIFPVBQESA-N -1 1 360.809 2.479 20 0 FEADMM O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823166782 606598900 /nfs/dbraw/zinc/59/89/00/606598900.db2.gz PGQXEGYFVVGGBT-SECBINFHSA-N -1 1 367.793 2.184 20 0 FEADMM O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823166782 606598901 /nfs/dbraw/zinc/59/89/01/606598901.db2.gz PGQXEGYFVVGGBT-SECBINFHSA-N -1 1 367.793 2.184 20 0 FEADMM COc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cn1 ZINC000821828061 606638001 /nfs/dbraw/zinc/63/80/01/606638001.db2.gz OTMGWPHHQAWKTI-UHFFFAOYSA-N -1 1 368.784 2.287 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1SCCc2sccc21 ZINC000823436374 606648491 /nfs/dbraw/zinc/64/84/91/606648491.db2.gz SFCGEEPCHHHJMY-ZDUSSCGKSA-N -1 1 359.436 2.397 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1SCCc2sccc21 ZINC000823436374 606648492 /nfs/dbraw/zinc/64/84/92/606648492.db2.gz SFCGEEPCHHHJMY-ZDUSSCGKSA-N -1 1 359.436 2.397 20 0 FEADMM Cc1nc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2nc1C ZINC000822459546 606650476 /nfs/dbraw/zinc/65/04/76/606650476.db2.gz RSWYHEVXLLBTHH-UHFFFAOYSA-N -1 1 361.365 2.179 20 0 FEADMM Cc1nc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2nc1C ZINC000822459546 606650477 /nfs/dbraw/zinc/65/04/77/606650477.db2.gz RSWYHEVXLLBTHH-UHFFFAOYSA-N -1 1 361.365 2.179 20 0 FEADMM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820938524 606652622 /nfs/dbraw/zinc/65/26/22/606652622.db2.gz KSHOEPBMFLLFAS-HNNXBMFYSA-N -1 1 353.382 2.471 20 0 FEADMM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820938524 606652623 /nfs/dbraw/zinc/65/26/23/606652623.db2.gz KSHOEPBMFLLFAS-HNNXBMFYSA-N -1 1 353.382 2.471 20 0 FEADMM O=C(CCOc1ccccc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822974546 606652905 /nfs/dbraw/zinc/65/29/05/606652905.db2.gz RAQXOIBVVMSRFI-UHFFFAOYSA-N -1 1 359.773 2.427 20 0 FEADMM O=C(CCOc1ccccc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822974546 606652906 /nfs/dbraw/zinc/65/29/06/606652906.db2.gz RAQXOIBVVMSRFI-UHFFFAOYSA-N -1 1 359.773 2.427 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1SCCc2ccccc21 ZINC000823436286 606653973 /nfs/dbraw/zinc/65/39/73/606653973.db2.gz OOXQGMGJYSYZCT-OAHLLOKOSA-N -1 1 353.407 2.336 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1SCCc2ccccc21 ZINC000823436286 606653974 /nfs/dbraw/zinc/65/39/74/606653974.db2.gz OOXQGMGJYSYZCT-OAHLLOKOSA-N -1 1 353.407 2.336 20 0 FEADMM COC[C@@H](C)CC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000821681353 606759743 /nfs/dbraw/zinc/75/97/43/606759743.db2.gz IIYFQRKXFLBFQJ-LBPRGKRZSA-N -1 1 370.413 2.077 20 0 FEADMM Clc1cnc(OCCNc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000822591583 606792100 /nfs/dbraw/zinc/79/21/00/606792100.db2.gz VYMDBYGRXWQCKC-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM Clc1cnc(OCCNc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000822591583 606792102 /nfs/dbraw/zinc/79/21/02/606792102.db2.gz VYMDBYGRXWQCKC-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821592427 606841000 /nfs/dbraw/zinc/84/10/00/606841000.db2.gz FNNSQIAPGXQHTK-OAHLLOKOSA-N -1 1 373.413 2.314 20 0 FEADMM Cc1ccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2)cc1 ZINC000822214314 606868400 /nfs/dbraw/zinc/86/84/00/606868400.db2.gz ZTCXKRHAZZTZOQ-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM Cc1ccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2)cc1 ZINC000822214314 606868402 /nfs/dbraw/zinc/86/84/02/606868402.db2.gz ZTCXKRHAZZTZOQ-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820051355 606954715 /nfs/dbraw/zinc/95/47/15/606954715.db2.gz NXLGIBQUNRBGGA-OAHLLOKOSA-N -1 1 366.429 2.388 20 0 FEADMM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820051355 606954717 /nfs/dbraw/zinc/95/47/17/606954717.db2.gz NXLGIBQUNRBGGA-OAHLLOKOSA-N -1 1 366.429 2.388 20 0 FEADMM CCC[C@@H](CC)S(=O)(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000559642678 674551612 /nfs/dbraw/zinc/55/16/12/674551612.db2.gz GTCJUTXUQMLHOM-GFCCVEGCSA-N -1 1 364.489 2.387 20 0 FEADMM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810589995 674551947 /nfs/dbraw/zinc/55/19/47/674551947.db2.gz ARSRBBBFRCWBKM-GUYCJALGSA-N -1 1 356.463 2.406 20 0 FEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820233488 607098022 /nfs/dbraw/zinc/09/80/22/607098022.db2.gz KRHSESZXUXLMNN-BXKDBHETSA-N -1 1 361.402 2.309 20 0 FEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820233488 607098024 /nfs/dbraw/zinc/09/80/24/607098024.db2.gz KRHSESZXUXLMNN-BXKDBHETSA-N -1 1 361.402 2.309 20 0 FEADMM O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822945831 607108241 /nfs/dbraw/zinc/10/82/41/607108241.db2.gz RSCTVLBJWWKJGO-UHFFFAOYSA-N -1 1 368.422 2.414 20 0 FEADMM O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822945831 607108243 /nfs/dbraw/zinc/10/82/43/607108243.db2.gz RSCTVLBJWWKJGO-UHFFFAOYSA-N -1 1 368.422 2.414 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CC(F)F)C(C)C ZINC000822004808 607192904 /nfs/dbraw/zinc/19/29/04/607192904.db2.gz LABKRPFBBLKOEG-UHFFFAOYSA-N -1 1 368.388 2.019 20 0 FEADMM Cc1c(CSC(C)C)cccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822035117 607219740 /nfs/dbraw/zinc/21/97/40/607219740.db2.gz QPOFFPKHNPLRLA-UHFFFAOYSA-N -1 1 372.458 2.047 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000824000025 607861861 /nfs/dbraw/zinc/86/18/61/607861861.db2.gz RARXFPLKIPSSDQ-UHFFFAOYSA-N -1 1 352.354 2.091 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCc1ccc(Cl)cc1 ZINC000826418412 607863834 /nfs/dbraw/zinc/86/38/34/607863834.db2.gz FXILLZSXKLYETB-UHFFFAOYSA-N -1 1 361.764 2.354 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCc1ccc(Cl)cc1 ZINC000826418412 607863835 /nfs/dbraw/zinc/86/38/35/607863835.db2.gz FXILLZSXKLYETB-UHFFFAOYSA-N -1 1 361.764 2.354 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826289577 607868203 /nfs/dbraw/zinc/86/82/03/607868203.db2.gz GCXWCZLACZYVNE-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826289577 607868204 /nfs/dbraw/zinc/86/82/04/607868204.db2.gz GCXWCZLACZYVNE-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O[C@H](COCc1cccs1)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826504223 607875161 /nfs/dbraw/zinc/87/51/61/607875161.db2.gz PZDPGRJHRCVYEX-SNVBAGLBSA-N -1 1 350.375 2.024 20 0 FEADMM O[C@H](COCc1cccs1)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826504223 607875162 /nfs/dbraw/zinc/87/51/62/607875162.db2.gz PZDPGRJHRCVYEX-SNVBAGLBSA-N -1 1 350.375 2.024 20 0 FEADMM O[C@H](COc1ccccc1Cl)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826505277 607875552 /nfs/dbraw/zinc/87/55/52/607875552.db2.gz RBZNUENZKLFVQH-SNVBAGLBSA-N -1 1 364.764 2.478 20 0 FEADMM O[C@H](COc1ccccc1Cl)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826505277 607875553 /nfs/dbraw/zinc/87/55/53/607875553.db2.gz RBZNUENZKLFVQH-SNVBAGLBSA-N -1 1 364.764 2.478 20 0 FEADMM COC(=O)[C@H](C)CN(Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000826104134 607902449 /nfs/dbraw/zinc/90/24/49/607902449.db2.gz QFHJHTFCHWIXSW-CYBMUJFWSA-N -1 1 352.398 2.077 20 0 FEADMM COC(=O)[C@H](C)CN(Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000826104134 607902450 /nfs/dbraw/zinc/90/24/50/607902450.db2.gz QFHJHTFCHWIXSW-CYBMUJFWSA-N -1 1 352.398 2.077 20 0 FEADMM CC(C)(C)c1cc(NC(=O)COC[C@@H]2CCCO2)c(-c2nnn[n-]2)s1 ZINC000824129673 607928987 /nfs/dbraw/zinc/92/89/87/607928987.db2.gz DQFJEWUFRBKIKE-JTQLQIEISA-N -1 1 365.459 2.360 20 0 FEADMM CC(C)(C)c1cc(NC(=O)COC[C@@H]2CCCO2)c(-c2nn[n-]n2)s1 ZINC000824129673 607928988 /nfs/dbraw/zinc/92/89/88/607928988.db2.gz DQFJEWUFRBKIKE-JTQLQIEISA-N -1 1 365.459 2.360 20 0 FEADMM COc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c(OC)c1 ZINC000826189963 607988318 /nfs/dbraw/zinc/98/83/18/607988318.db2.gz KWMVFAMRDIPUDK-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c(OC)c1 ZINC000826189963 607988319 /nfs/dbraw/zinc/98/83/19/607988319.db2.gz KWMVFAMRDIPUDK-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM FC(F)(F)COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826367719 607988739 /nfs/dbraw/zinc/98/87/39/607988739.db2.gz LJVCAZRJJYFBRQ-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826367719 607988740 /nfs/dbraw/zinc/98/87/40/607988740.db2.gz LJVCAZRJJYFBRQ-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000824730551 608182577 /nfs/dbraw/zinc/18/25/77/608182577.db2.gz OLGQGKWNNAAYLV-JTQLQIEISA-N -1 1 367.394 2.427 20 0 FEADMM COC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(F)c1 ZINC000826150556 608335944 /nfs/dbraw/zinc/33/59/44/608335944.db2.gz HFRYCUGQZLDGFU-LLVKDONJSA-N -1 1 365.365 2.324 20 0 FEADMM COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(F)c1 ZINC000826150556 608335945 /nfs/dbraw/zinc/33/59/45/608335945.db2.gz HFRYCUGQZLDGFU-LLVKDONJSA-N -1 1 365.365 2.324 20 0 FEADMM Ic1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826379586 608390415 /nfs/dbraw/zinc/39/04/15/608390415.db2.gz WGBQAINDSCZPFB-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM Ic1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826379586 608390416 /nfs/dbraw/zinc/39/04/16/608390416.db2.gz WGBQAINDSCZPFB-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc2c(c1)OCCO2 ZINC000824198999 608391514 /nfs/dbraw/zinc/39/15/14/608391514.db2.gz FYHFCHAKVWSMKA-MRXNPFEDSA-N -1 1 353.386 2.237 20 0 FEADMM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc2c(c1)OCCO2 ZINC000824198999 608391516 /nfs/dbraw/zinc/39/15/16/608391516.db2.gz FYHFCHAKVWSMKA-MRXNPFEDSA-N -1 1 353.386 2.237 20 0 FEADMM CC(C)Cn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccco1 ZINC000824281146 608392901 /nfs/dbraw/zinc/39/29/01/608392901.db2.gz ZSEIFYZAFORYCW-UHFFFAOYSA-N -1 1 369.414 2.315 20 0 FEADMM CC(C)Cn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccco1 ZINC000824281146 608392902 /nfs/dbraw/zinc/39/29/02/608392902.db2.gz ZSEIFYZAFORYCW-UHFFFAOYSA-N -1 1 369.414 2.315 20 0 FEADMM c1csc(-c2nnc(Sc3ccc(-c4nnn[n-]4)nn3)n2C2CC2)c1 ZINC000826525922 608394563 /nfs/dbraw/zinc/39/45/63/608394563.db2.gz DVHKFTRBNAGWEA-UHFFFAOYSA-N -1 1 369.439 2.463 20 0 FEADMM c1csc(-c2nnc(Sc3ccc(-c4nn[n-]n4)nn3)n2C2CC2)c1 ZINC000826525922 608394565 /nfs/dbraw/zinc/39/45/65/608394565.db2.gz DVHKFTRBNAGWEA-UHFFFAOYSA-N -1 1 369.439 2.463 20 0 FEADMM Cc1ccc(C)c(OC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826285055 608402986 /nfs/dbraw/zinc/40/29/86/608402986.db2.gz OLRWPIDFFWKHHB-UHFFFAOYSA-N -1 1 351.414 2.321 20 0 FEADMM Cc1ccc(C)c(OC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826285055 608402987 /nfs/dbraw/zinc/40/29/87/608402987.db2.gz OLRWPIDFFWKHHB-UHFFFAOYSA-N -1 1 351.414 2.321 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)C[C@H](C)O1 ZINC000824993411 608408146 /nfs/dbraw/zinc/40/81/46/608408146.db2.gz QSEGIDAGSKXFJH-RYUDHWBXSA-N -1 1 352.402 2.014 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)C[C@H](C)O1 ZINC000824993411 608408148 /nfs/dbraw/zinc/40/81/48/608408148.db2.gz QSEGIDAGSKXFJH-RYUDHWBXSA-N -1 1 352.402 2.014 20 0 FEADMM Clc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC000826353112 608415864 /nfs/dbraw/zinc/41/58/64/608415864.db2.gz BLEAIKVJPOYLPK-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM Clc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC000826353112 608415866 /nfs/dbraw/zinc/41/58/66/608415866.db2.gz BLEAIKVJPOYLPK-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM COc1ccc(C[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826191605 608422978 /nfs/dbraw/zinc/42/29/78/608422978.db2.gz KZEQSTUQJFEDLY-CQSZACIVSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccc(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826191605 608422980 /nfs/dbraw/zinc/42/29/80/608422980.db2.gz KZEQSTUQJFEDLY-CQSZACIVSA-N -1 1 351.414 2.124 20 0 FEADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826146297 608473176 /nfs/dbraw/zinc/47/31/76/608473176.db2.gz SWUBQAHORUWMJV-QWHCGFSZSA-N -1 1 370.413 2.104 20 0 FEADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826146297 608473178 /nfs/dbraw/zinc/47/31/78/608473178.db2.gz SWUBQAHORUWMJV-QWHCGFSZSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1F ZINC000826299860 608582991 /nfs/dbraw/zinc/58/29/91/608582991.db2.gz YUOSUGRETYFBAF-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826493420 608668542 /nfs/dbraw/zinc/66/85/42/608668542.db2.gz JREAZYVTQZYPHJ-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1Cc1ccco1 ZINC000826257192 608888458 /nfs/dbraw/zinc/88/84/58/608888458.db2.gz RORHKVRRMSQTGG-UHFFFAOYSA-N -1 1 351.370 2.006 20 0 FEADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1Cc1ccco1 ZINC000826257192 608888460 /nfs/dbraw/zinc/88/84/60/608888460.db2.gz RORHKVRRMSQTGG-UHFFFAOYSA-N -1 1 351.370 2.006 20 0 FEADMM CC[C@@H](C)[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825050307 609147305 /nfs/dbraw/zinc/14/73/05/609147305.db2.gz HQTZKNDMHMOOBQ-VXGBXAGGSA-N -1 1 373.461 2.063 20 0 FEADMM C[C@@H]1NC(=O)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000825012590 609276194 /nfs/dbraw/zinc/27/61/94/609276194.db2.gz JVJIZJZCJMOKFU-VIFPVBQESA-N -1 1 354.395 2.036 20 0 FEADMM O=C(CCc1ccoc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409327 609291303 /nfs/dbraw/zinc/29/13/03/609291303.db2.gz RXWHKSVDPNVCFS-UHFFFAOYSA-N -1 1 367.344 2.356 20 0 FEADMM Cc1ccncc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826314895 609292854 /nfs/dbraw/zinc/29/28/54/609292854.db2.gz QVKJJAKLNWQQGM-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824875320 609360459 /nfs/dbraw/zinc/36/04/59/609360459.db2.gz LJZYCGAENCLDEI-WDEREUQCSA-N -1 1 370.392 2.454 20 0 FEADMM O=C(NCCC1CC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826436204 609362723 /nfs/dbraw/zinc/36/27/23/609362723.db2.gz LRYVZGQXXODLOB-UHFFFAOYSA-N -1 1 356.365 2.113 20 0 FEADMM CCc1nnc(Sc2nnc(C3CCC3)n2C)c(-c2nn[n-]n2)c1CC ZINC000825771713 609390810 /nfs/dbraw/zinc/39/08/10/609390810.db2.gz PBSIWDACEPJWJU-UHFFFAOYSA-N -1 1 371.474 2.329 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824991743 609610480 /nfs/dbraw/zinc/61/04/80/609610480.db2.gz GICCXEJQBVFRAL-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(F)c1 ZINC000810715974 674558730 /nfs/dbraw/zinc/55/87/30/674558730.db2.gz DMHDPUBTIDSNOX-KRWDZBQOSA-N -1 1 374.453 2.293 20 0 FEADMM O=S(=O)([N-]C[C@H](O)COc1ccccc1)c1cc(Cl)ccc1F ZINC000560026807 674564260 /nfs/dbraw/zinc/56/42/60/674564260.db2.gz CDZVAVDWXBNJAL-LBPRGKRZSA-N -1 1 359.806 2.197 20 0 FEADMM O=C(CSCC(F)(F)F)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810902354 674567481 /nfs/dbraw/zinc/56/74/81/674567481.db2.gz OBGNIDSEVYYVOW-QMMMGPOBSA-N -1 1 366.327 2.199 20 0 FEADMM O=C(CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1nnn[n-]1 ZINC000560737424 674613034 /nfs/dbraw/zinc/61/30/34/674613034.db2.gz LTSMRCPEGXZPEL-NSHDSACASA-N -1 1 354.336 2.037 20 0 FEADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000811836517 674633014 /nfs/dbraw/zinc/63/30/14/674633014.db2.gz ZGYBBKVBPYHRHC-UHFFFAOYSA-N -1 1 363.830 2.484 20 0 FEADMM C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811857847 674633619 /nfs/dbraw/zinc/63/36/19/674633619.db2.gz OAWTYLDUKSDHAS-RYUDHWBXSA-N -1 1 361.364 2.311 20 0 FEADMM CO[C@@H](C)c1nsc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811856890 674633861 /nfs/dbraw/zinc/63/38/61/674633861.db2.gz VXGQMAPGDUTFHX-IUCAKERBSA-N -1 1 352.382 2.140 20 0 FEADMM Cc1ncsc1CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811874966 674635042 /nfs/dbraw/zinc/63/50/42/674635042.db2.gz IUBYBLCUWNBTEI-SNVBAGLBSA-N -1 1 364.393 2.052 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)N[C@H]2CCCC2(F)F)C1)C(F)(F)F ZINC000811918436 674639216 /nfs/dbraw/zinc/63/92/16/674639216.db2.gz SIDIFEGSEQQEEX-ZJUUUORDSA-N -1 1 357.323 2.274 20 0 FEADMM CC[C@H](CSC)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000561140843 674641032 /nfs/dbraw/zinc/64/10/32/674641032.db2.gz ROSMELBFINUEOX-SNVBAGLBSA-N -1 1 361.489 2.330 20 0 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FEADMM COc1cc(NC(=O)N2CC[C@@H](OC(C)C)C2)ccc1[N-]S(C)(=O)=O ZINC000573962549 671186577 /nfs/dbraw/zinc/18/65/77/671186577.db2.gz GVGLHEYLWSEUIA-CYBMUJFWSA-N -1 1 371.459 2.098 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2C[C@H]2C2CCC2)ccc1[N-]S(C)(=O)=O ZINC000566144449 675185925 /nfs/dbraw/zinc/18/59/25/675185925.db2.gz LPEDVKQDADBYBY-GXTWGEPZSA-N -1 1 353.444 2.377 20 0 FEADMM O=S(=O)([N-]c1n[nH]cc1Br)c1ccc2c(c1)CCCO2 ZINC000575103247 671298431 /nfs/dbraw/zinc/29/84/31/671298431.db2.gz MGJUYGZKMUKPMD-UHFFFAOYSA-N -1 1 358.217 2.298 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)on1 ZINC000576347360 671362524 /nfs/dbraw/zinc/36/25/24/671362524.db2.gz IFJAJCDJSQHPJO-UHFFFAOYSA-N -1 1 372.830 2.464 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC12CCC2 ZINC000576746315 671391227 /nfs/dbraw/zinc/39/12/27/671391227.db2.gz GZKFWGBYWJSSNQ-UHFFFAOYSA-N -1 1 363.266 2.427 20 0 FEADMM COc1cc(C(=O)NC[C@H](CO)Cc2cccnc2)cc(Cl)c1[O-] ZINC000576955767 671406943 /nfs/dbraw/zinc/40/69/43/671406943.db2.gz OCGGTAYSQFDNMT-GFCCVEGCSA-N -1 1 350.802 2.030 20 0 FEADMM COCCn1cc(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)cn1 ZINC000577418236 671594909 /nfs/dbraw/zinc/59/49/09/671594909.db2.gz MAVUMSLQDVEKBB-UHFFFAOYSA-N -1 1 360.801 2.367 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C(C)C)C2(CO)CCC2)c(=O)[n-]1 ZINC000579529408 671742408 /nfs/dbraw/zinc/74/24/08/671742408.db2.gz AFFQTDQMNGMZOX-OAHLLOKOSA-N -1 1 367.515 2.449 20 0 FEADMM O=C([O-])[C@]1(NCc2cn(-c3ccc(F)cc3Cl)nn2)CCSC1 ZINC000579934850 671771383 /nfs/dbraw/zinc/77/13/83/671771383.db2.gz ZAXCHKXRPGDEOD-AWEZNQCLSA-N -1 1 356.810 2.110 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cn1 ZINC000580120787 671784022 /nfs/dbraw/zinc/78/40/22/671784022.db2.gz JWDWSTRMHLDVGX-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM CCO[C@@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000580693701 671825263 /nfs/dbraw/zinc/82/52/63/671825263.db2.gz DXRDEJPWQRBTCG-IAGOWNOFSA-N -1 1 360.435 2.395 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)c1 ZINC000610032938 675948215 /nfs/dbraw/zinc/94/82/15/675948215.db2.gz XKQMPDSYHGLHNS-UHFFFAOYSA-N -1 1 351.409 2.292 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cnn(-c2ccccn2)c1 ZINC000580991196 671853477 /nfs/dbraw/zinc/85/34/77/671853477.db2.gz LSIUICGWFKCKRN-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM CC1(C)C[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000581638322 671920234 /nfs/dbraw/zinc/92/02/34/671920234.db2.gz NSNODXMANYAHNB-SECBINFHSA-N -1 1 365.282 2.434 20 0 FEADMM Cc1nn(C)c2ncc(C(=O)Nc3nc(Br)ccc3[O-])cc12 ZINC000121608226 671953443 /nfs/dbraw/zinc/95/34/43/671953443.db2.gz NZJSYWBPNQGZFJ-UHFFFAOYSA-N -1 1 362.187 2.392 20 0 FEADMM CCc1nc(S[C@H](C(=O)NC[C@@H]2CCCO2)C(C)C)[n-]c(=O)c1C ZINC000582557858 672013210 /nfs/dbraw/zinc/01/32/10/672013210.db2.gz VUKZRSLWHFWOCJ-JSGCOSHPSA-N -1 1 353.488 2.465 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@H]1CN(C)CCO1 ZINC000125745088 672016103 /nfs/dbraw/zinc/01/61/03/672016103.db2.gz JNPBIQRMTVMHFN-HTQZYQBOSA-N -1 1 359.300 2.052 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2CCCOCC2)n[n-]1 ZINC000582673045 672024384 /nfs/dbraw/zinc/02/43/84/672024384.db2.gz WUGGACIXMWTWHZ-OLZOCXBDSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2CCCOCC2)[n-]1 ZINC000582673045 672024385 /nfs/dbraw/zinc/02/43/85/672024385.db2.gz WUGGACIXMWTWHZ-OLZOCXBDSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2CCCOCC2)n1 ZINC000582673045 672024389 /nfs/dbraw/zinc/02/43/89/672024389.db2.gz WUGGACIXMWTWHZ-OLZOCXBDSA-N -1 1 352.435 2.002 20 0 FEADMM CC(C)C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)OC(C)(C)C ZINC000128177323 672045974 /nfs/dbraw/zinc/04/59/74/672045974.db2.gz AKACTCUYXXQZMH-JTQLQIEISA-N -1 1 365.883 2.108 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000130258769 672073322 /nfs/dbraw/zinc/07/33/22/672073322.db2.gz BTWTWEQLGCONGY-QMMMGPOBSA-N -1 1 366.830 2.330 20 0 FEADMM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1cnsn1 ZINC000133232031 672108121 /nfs/dbraw/zinc/10/81/21/672108121.db2.gz AHXFUWKFCWILAG-UHFFFAOYSA-N -1 1 365.216 2.193 20 0 FEADMM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000133261852 672108574 /nfs/dbraw/zinc/10/85/74/672108574.db2.gz ZETMMKXYLLJOGP-LBPRGKRZSA-N -1 1 358.410 2.034 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCCF)c(F)cc1Br ZINC000134503170 672123552 /nfs/dbraw/zinc/12/35/52/672123552.db2.gz XZEUDGJJFWBXJC-UHFFFAOYSA-N -1 1 372.187 2.013 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000135473384 672133782 /nfs/dbraw/zinc/13/37/82/672133782.db2.gz JVSVAZLMOLYJBF-UHFFFAOYSA-N -1 1 354.395 2.255 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000135473384 672133783 /nfs/dbraw/zinc/13/37/83/672133783.db2.gz JVSVAZLMOLYJBF-UHFFFAOYSA-N -1 1 354.395 2.255 20 0 FEADMM CCSc1nccnc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000584013886 672147439 /nfs/dbraw/zinc/14/74/39/672147439.db2.gz UCDINTCQTDWWRK-UHFFFAOYSA-N -1 1 351.457 2.586 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2c(CC)nn(C)c2CC)o1 ZINC000153536293 672200111 /nfs/dbraw/zinc/20/01/11/672200111.db2.gz KEGHGOHSRVUJHU-AWEZNQCLSA-N -1 1 369.487 2.366 20 0 FEADMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000156022476 672241211 /nfs/dbraw/zinc/24/12/11/672241211.db2.gz VNOYIYXGNKXLRX-UHFFFAOYSA-N -1 1 370.402 2.204 20 0 FEADMM CC[C@@H](C(=O)N[N-]C(=O)c1cnc(C(F)(F)F)nc1)c1ccccc1 ZINC000156637895 672248633 /nfs/dbraw/zinc/24/86/33/672248633.db2.gz LWUULUAXRZRIHO-GFCCVEGCSA-N -1 1 352.316 2.450 20 0 FEADMM Cc1cccc(-c2nnc(SCCC[N-]C(=O)C(F)(F)F)n2N)c1 ZINC000157502239 672259509 /nfs/dbraw/zinc/25/95/09/672259509.db2.gz KSOVZFJREPCHHY-UHFFFAOYSA-N -1 1 359.377 2.128 20 0 FEADMM CCCCC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC ZINC000164313392 672312419 /nfs/dbraw/zinc/31/24/19/672312419.db2.gz CSTFIXFFENXYCQ-HNNXBMFYSA-N -1 1 356.419 2.239 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)c[nH]1 ZINC000610915060 676005234 /nfs/dbraw/zinc/00/52/34/676005234.db2.gz KLNMPGKGIUUTDC-UHFFFAOYSA-N -1 1 364.383 2.202 20 0 FEADMM Cc1c2cccc(F)c2oc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000679114060 672467101 /nfs/dbraw/zinc/46/71/01/672467101.db2.gz QHNYYQXNPRPVGK-UHFFFAOYSA-N -1 1 364.354 2.486 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c(F)c1 ZINC000588674452 672470162 /nfs/dbraw/zinc/47/01/62/672470162.db2.gz JJJMPMZWEOJUET-ZDUSSCGKSA-N -1 1 360.382 2.148 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c(F)c1 ZINC000588676390 672471043 /nfs/dbraw/zinc/47/10/43/672471043.db2.gz AZAHOKIQWLWCNR-ZDUSSCGKSA-N -1 1 357.382 2.063 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)s1 ZINC000679481087 672500040 /nfs/dbraw/zinc/50/00/40/672500040.db2.gz RXIGLHIIHLLSEU-UHFFFAOYSA-N -1 1 350.425 2.121 20 0 FEADMM CCOCCO[N-]C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000184850346 672508864 /nfs/dbraw/zinc/50/88/64/672508864.db2.gz LXTDPIAAXHEAPP-JTQLQIEISA-N -1 1 361.225 2.431 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1 ZINC000589428045 672524397 /nfs/dbraw/zinc/52/43/97/672524397.db2.gz BRNNFEBJOORVMC-UHFFFAOYSA-N -1 1 355.437 2.037 20 0 FEADMM N#Cc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1[O-] ZINC000188579787 672593713 /nfs/dbraw/zinc/59/37/13/672593713.db2.gz HKDQDAURNKAMHY-UHFFFAOYSA-N -1 1 360.167 2.101 20 0 FEADMM COc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc(Cl)c1[O-] ZINC000680844165 672605718 /nfs/dbraw/zinc/60/57/18/672605718.db2.gz JZRGQCIWKPOPOG-GFCCVEGCSA-N -1 1 370.858 2.190 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@@]12CCCO2 ZINC000680977624 672618375 /nfs/dbraw/zinc/61/83/75/672618375.db2.gz STJTXZXIPSWNJM-NFAWXSAZSA-N -1 1 363.838 2.484 20 0 FEADMM CC(C)(C)n1nccc1NC(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000190587443 672644286 /nfs/dbraw/zinc/64/42/86/672644286.db2.gz BJSIJQMJAXIVFD-UHFFFAOYSA-N -1 1 351.794 2.464 20 0 FEADMM COC(=O)[C@@H]1CSCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000591237654 672660732 /nfs/dbraw/zinc/66/07/32/672660732.db2.gz SDQFKIHISUXNOS-JTQLQIEISA-N -1 1 363.357 2.389 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC000192991919 672708507 /nfs/dbraw/zinc/70/85/07/672708507.db2.gz XHKHYXJATSLYPT-QMMMGPOBSA-N -1 1 368.377 2.295 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cnn(-c4ccncc4)c3)ccc2O1 ZINC000592006525 672732587 /nfs/dbraw/zinc/73/25/87/672732587.db2.gz GWFWYFUVSOJVIQ-LBPRGKRZSA-N -1 1 356.407 2.392 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCOCC1CCC1)c1ccccc1 ZINC000592039349 672740108 /nfs/dbraw/zinc/74/01/08/672740108.db2.gz SSNBHRIECWOMJI-MRXNPFEDSA-N -1 1 355.456 2.027 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1cccc(C)c1C ZINC000592046611 672741380 /nfs/dbraw/zinc/74/13/80/672741380.db2.gz BWBJOXSXLOOICG-SJORKVTESA-N -1 1 371.499 2.498 20 0 FEADMM COC(=O)CC1([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCCC1 ZINC000592048289 672742148 /nfs/dbraw/zinc/74/21/48/672742148.db2.gz PIGBHKNDTHPYJI-UHFFFAOYSA-N -1 1 366.361 2.255 20 0 FEADMM CCc1cccc(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c1 ZINC000195168119 672777272 /nfs/dbraw/zinc/77/72/72/672777272.db2.gz FDYBKJYYGFDXNR-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCc1cccc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1 ZINC000195168119 672777275 /nfs/dbraw/zinc/77/72/75/672777275.db2.gz FDYBKJYYGFDXNR-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCc1cccc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c1 ZINC000195168119 672777277 /nfs/dbraw/zinc/77/72/77/672777277.db2.gz FDYBKJYYGFDXNR-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCn1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000682944284 672802967 /nfs/dbraw/zinc/80/29/67/672802967.db2.gz FNBWOBSNKJKHKE-UHFFFAOYSA-N -1 1 367.471 2.450 20 0 FEADMM Cn1nncc1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000683901849 672882445 /nfs/dbraw/zinc/88/24/45/672882445.db2.gz ILQIAZYKGDXZSH-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM COc1ccc(NC(=O)NC(C)(C)C(F)F)cc1[N-]S(C)(=O)=O ZINC000684231041 672916706 /nfs/dbraw/zinc/91/67/06/672916706.db2.gz QCDDWEGASLMTAJ-UHFFFAOYSA-N -1 1 351.375 2.232 20 0 FEADMM O=C(Cc1csc2ccc(Br)cc12)NCc1nn[n-]n1 ZINC000684281064 672920800 /nfs/dbraw/zinc/92/08/00/672920800.db2.gz NEKDDMGNJUPYSS-UHFFFAOYSA-N -1 1 352.217 2.036 20 0 FEADMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000593648988 672970534 /nfs/dbraw/zinc/97/05/34/672970534.db2.gz BTINFLUZPMSRQN-OAHLLOKOSA-N -1 1 373.446 2.136 20 0 FEADMM CCOC(=O)c1nc(NC(=O)c2oc(COC(C)(C)C)nc2C)c[n-]1 ZINC000593649117 672970565 /nfs/dbraw/zinc/97/05/65/672970565.db2.gz FFPNUKCYQXUXRA-UHFFFAOYSA-N -1 1 350.375 2.450 20 0 FEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1ccccc1F ZINC000593650301 672970612 /nfs/dbraw/zinc/97/06/12/672970612.db2.gz IYLHXQBFBBXBID-HNNXBMFYSA-N -1 1 373.446 2.136 20 0 FEADMM COCc1cnc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000287106524 672983802 /nfs/dbraw/zinc/98/38/02/672983802.db2.gz VOTRRTCJJKCWIX-UHFFFAOYSA-N -1 1 355.441 2.222 20 0 FEADMM CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000302830098 673016414 /nfs/dbraw/zinc/01/64/14/673016414.db2.gz CEMVIZLGLBYDHY-UHFFFAOYSA-N -1 1 368.480 2.199 20 0 FEADMM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)o1 ZINC000320610610 673038949 /nfs/dbraw/zinc/03/89/49/673038949.db2.gz CVQNYDFKUJXFLW-UHFFFAOYSA-N -1 1 360.848 2.387 20 0 FEADMM O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1[O-] ZINC000685787280 673043657 /nfs/dbraw/zinc/04/36/57/673043657.db2.gz GRQOBJGYVRYOLT-UHFFFAOYSA-N -1 1 358.778 2.102 20 0 FEADMM COC(=O)Cc1csc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1 ZINC000324844197 673047590 /nfs/dbraw/zinc/04/75/90/673047590.db2.gz IUEHBEVXSZFSCN-UHFFFAOYSA-N -1 1 350.400 2.038 20 0 FEADMM CCc1ccc(S(=O)(=O)N2CCCN(C)C[C@@H]2CC)cc1C(=O)[O-] ZINC000326202931 673051997 /nfs/dbraw/zinc/05/19/97/673051997.db2.gz OCYIJRAVRZDJJD-AWEZNQCLSA-N -1 1 354.472 2.052 20 0 FEADMM CCC(CC)(NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C)C(=O)[O-] ZINC000327234571 673058326 /nfs/dbraw/zinc/05/83/26/673058326.db2.gz SBXCCTKEGYJATD-OAHLLOKOSA-N -1 1 351.447 2.241 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c1F ZINC000594454008 673074519 /nfs/dbraw/zinc/07/45/19/673074519.db2.gz RCTMBRWOZHAOQF-SNVBAGLBSA-N -1 1 365.810 2.113 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](OC)C(C)C)c1F ZINC000594455821 673075058 /nfs/dbraw/zinc/07/50/58/673075058.db2.gz OVZBZDMFWWJEGB-LLVKDONJSA-N -1 1 367.826 2.215 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)c1F ZINC000594462826 673076768 /nfs/dbraw/zinc/07/67/68/673076768.db2.gz MQLJAUJFRODQJL-CLAHSXSESA-N -1 1 365.810 2.112 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)o1 ZINC000594475876 673082385 /nfs/dbraw/zinc/08/23/85/673082385.db2.gz YJTWHABMJMHLMT-WFASDCNBSA-N -1 1 357.428 2.082 20 0 FEADMM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000333154637 673095960 /nfs/dbraw/zinc/09/59/60/673095960.db2.gz MGCGUDLCALINOW-ZDUSSCGKSA-N -1 1 367.496 2.326 20 0 FEADMM CCOc1cc(NS(=O)(=O)c2cccn2C)c(C(=O)[O-])cc1OCC ZINC000414174249 673179573 /nfs/dbraw/zinc/17/95/73/673179573.db2.gz XWWHYLHOULWQGL-UHFFFAOYSA-N -1 1 368.411 2.322 20 0 FEADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1 ZINC000727795658 673182739 /nfs/dbraw/zinc/18/27/39/673182739.db2.gz SKYASMFGLLOUHQ-UHFFFAOYSA-N -1 1 362.407 2.153 20 0 FEADMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)cc21 ZINC000728017015 673190147 /nfs/dbraw/zinc/19/01/47/673190147.db2.gz DWGIYLQXGNFDSH-UHFFFAOYSA-N -1 1 359.451 2.277 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(C)c(OC)c2)cc1C ZINC000595301854 673218720 /nfs/dbraw/zinc/21/87/20/673218720.db2.gz HVXXEYMSADLASQ-UHFFFAOYSA-N -1 1 353.396 2.170 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)cc2F)c1C ZINC000438248035 673219136 /nfs/dbraw/zinc/21/91/36/673219136.db2.gz FPPBMTNRIMPEDU-UHFFFAOYSA-N -1 1 358.370 2.318 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCOc2ccccc2C)cc1C ZINC000595303149 673219299 /nfs/dbraw/zinc/21/92/99/673219299.db2.gz PPQFYDXQLUGLDZ-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1C ZINC000595319684 673223393 /nfs/dbraw/zinc/22/33/93/673223393.db2.gz CRPRXAVNLRRSMT-DFBGVHRSSA-N -1 1 369.439 2.001 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)cc1C ZINC000595325176 673225181 /nfs/dbraw/zinc/22/51/81/673225181.db2.gz HOBMZOJNENZCKQ-LBPRGKRZSA-N -1 1 357.428 2.002 20 0 FEADMM O=S(=O)([N-]Cc1cccc2c1OCCO2)c1cc(F)c(F)cc1F ZINC000729853906 673250612 /nfs/dbraw/zinc/25/06/12/673250612.db2.gz OHMOOTJERHOJSB-UHFFFAOYSA-N -1 1 359.325 2.354 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c1C ZINC000463364920 673307728 /nfs/dbraw/zinc/30/77/28/673307728.db2.gz BVTOTORRNRCTOK-UHFFFAOYSA-N -1 1 373.406 2.061 20 0 FEADMM O=[S@](CC[N-]S(=O)(=O)c1cccc(F)c1F)Cc1ccccc1 ZINC000731849596 673344864 /nfs/dbraw/zinc/34/48/64/673344864.db2.gz IAOQCAUWAIPRCA-JOCHJYFZSA-N -1 1 359.419 2.192 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc2cc(Br)sc2[nH]1)c1nn[n-]n1 ZINC000613475112 676130349 /nfs/dbraw/zinc/13/03/49/676130349.db2.gz MSEWXZOOAISHKT-ZCFIWIBFSA-N -1 1 369.248 2.381 20 0 FEADMM Cc1ccc(C)c(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000536739088 673379177 /nfs/dbraw/zinc/37/91/77/673379177.db2.gz NFLFKBMPRLMORY-UHFFFAOYSA-N -1 1 366.464 2.387 20 0 FEADMM CCCCN(Cc1ccccc1Cl)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733146410 673400232 /nfs/dbraw/zinc/40/02/32/673400232.db2.gz XQPAZJBFEJUURS-UHFFFAOYSA-N -1 1 363.845 2.409 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1noc(CC)n1 ZINC000733459535 673418841 /nfs/dbraw/zinc/41/88/41/673418841.db2.gz SHGMZOYCEWUXGR-UHFFFAOYSA-N -1 1 353.400 2.141 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2OCC2CC2)c1 ZINC000538951835 673468105 /nfs/dbraw/zinc/46/81/05/673468105.db2.gz LSKNZZHZJKDUQB-UHFFFAOYSA-N -1 1 362.407 2.081 20 0 FEADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000539399175 673488449 /nfs/dbraw/zinc/48/84/49/673488449.db2.gz ZZTUFZCMFLQZJX-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM CCOC(=O)N1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000735297533 673489704 /nfs/dbraw/zinc/48/97/04/673489704.db2.gz MNIMYJPUIYHEJL-UHFFFAOYSA-N -1 1 362.459 2.124 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCNc2ccccc2)o1 ZINC000735827248 673504041 /nfs/dbraw/zinc/50/40/41/673504041.db2.gz CHCNAAQBPXJCRP-UHFFFAOYSA-N -1 1 365.455 2.198 20 0 FEADMM COc1ccc(NC(=O)C(=O)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000541645720 673554656 /nfs/dbraw/zinc/55/46/56/673554656.db2.gz UVZASROQQSNJEW-UHFFFAOYSA-N -1 1 366.370 2.027 20 0 FEADMM Cn1[n-]c(CN2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)nc1=O ZINC000542507028 673587478 /nfs/dbraw/zinc/58/74/78/673587478.db2.gz GKAPYCYVVRWNNO-AWEZNQCLSA-N -1 1 358.833 2.489 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000542937788 673616391 /nfs/dbraw/zinc/61/63/91/673616391.db2.gz CNTFMRFVJSPKTM-UHFFFAOYSA-N -1 1 366.326 2.260 20 0 FEADMM O=S(=O)([N-]Cc1n[nH]cc1Br)c1ccc(F)c(F)c1F ZINC000599211943 673641882 /nfs/dbraw/zinc/64/18/82/673641882.db2.gz RUOZILPGFARDDA-UHFFFAOYSA-N -1 1 370.150 2.068 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCc2ccc(C)o2)c1F ZINC000599215426 673642144 /nfs/dbraw/zinc/64/21/44/673642144.db2.gz CTNVBCGIJPIPKQ-UHFFFAOYSA-N -1 1 359.350 2.174 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2CCSCC2)c1F ZINC000599235682 673645743 /nfs/dbraw/zinc/64/57/43/673645743.db2.gz IUWGFRGQMLZXOS-UHFFFAOYSA-N -1 1 365.423 2.173 20 0 FEADMM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1nc(=O)n(C)[n-]1 ZINC000543449618 673648047 /nfs/dbraw/zinc/64/80/47/673648047.db2.gz OASZWYKMCQCTOH-UHFFFAOYSA-N -1 1 372.256 2.266 20 0 FEADMM COc1ccc(C(=O)NCC(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000543944486 673679438 /nfs/dbraw/zinc/67/94/38/673679438.db2.gz OYRJEIGDBWCYQW-UHFFFAOYSA-N -1 1 364.785 2.431 20 0 FEADMM COc1ncccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000544481147 673714250 /nfs/dbraw/zinc/71/42/50/673714250.db2.gz HMBZENRDDLGNKW-VIFPVBQESA-N -1 1 366.424 2.241 20 0 FEADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544725062 673729051 /nfs/dbraw/zinc/72/90/51/673729051.db2.gz DOIZPUDLNHQDEE-MRVPVSSYSA-N -1 1 366.258 2.424 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])cn1C ZINC000544817942 673734440 /nfs/dbraw/zinc/73/44/40/673734440.db2.gz JMRQVZVWPPAMMH-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM CC(=O)N1CCc2c1cccc2NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000545263819 673755607 /nfs/dbraw/zinc/75/56/07/673755607.db2.gz SBIXCGIJJMARJP-UHFFFAOYSA-N -1 1 366.420 2.156 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2nnc(C)s2)c(=O)[n-]1 ZINC000545350817 673761653 /nfs/dbraw/zinc/76/16/53/673761653.db2.gz FRECSPSXDHUFGO-QMMMGPOBSA-N -1 1 353.473 2.182 20 0 FEADMM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cc(=O)n2[n-]cnc2n1 ZINC000545440799 673769877 /nfs/dbraw/zinc/76/98/77/673769877.db2.gz JKMUEHUXDLPBTQ-UHFFFAOYSA-N -1 1 364.192 2.144 20 0 FEADMM O=C(NCc1nn[n-]n1)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000600503233 673774823 /nfs/dbraw/zinc/77/48/23/673774823.db2.gz DFEJORRACARGLX-UHFFFAOYSA-N -1 1 351.338 2.460 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc([C@@H](OC)c3ccc(F)cc3)no2)o1 ZINC000545798118 673776776 /nfs/dbraw/zinc/77/67/76/673776776.db2.gz DLDBURAMJUPISF-ZDUSSCGKSA-N -1 1 367.358 2.113 20 0 FEADMM CC(C)c1ncc(Cl)c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)n1 ZINC000744676334 673806599 /nfs/dbraw/zinc/80/65/99/673806599.db2.gz SRMOXDNKPIAPLX-UHFFFAOYSA-N -1 1 361.785 2.367 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)C2CCCC2)o1 ZINC000744718716 673808403 /nfs/dbraw/zinc/80/84/03/673808403.db2.gz LEQUHRORQWKFEB-UHFFFAOYSA-N -1 1 357.428 2.273 20 0 FEADMM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546770441 673817215 /nfs/dbraw/zinc/81/72/15/673817215.db2.gz GNVKTNMJRKYSCK-JTQLQIEISA-N -1 1 354.266 2.365 20 0 FEADMM CC(C)(NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)c(Cl)c1 ZINC000546791889 673819299 /nfs/dbraw/zinc/81/92/99/673819299.db2.gz RNDNAVQITKSVKA-UHFFFAOYSA-N -1 1 366.208 2.390 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000601342709 673845371 /nfs/dbraw/zinc/84/53/71/673845371.db2.gz DCPMGKLSBMQVKP-KOLCDFICSA-N -1 1 353.412 2.317 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1OC)C(F)(F)F ZINC000547818406 673891278 /nfs/dbraw/zinc/89/12/78/673891278.db2.gz BVBJLUANUSSROP-CYBMUJFWSA-N -1 1 369.361 2.491 20 0 FEADMM COc1cc(C=O)cc(OC)c1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747228426 673913752 /nfs/dbraw/zinc/91/37/52/673913752.db2.gz HJMHTYCVPCRHQJ-UHFFFAOYSA-N -1 1 354.384 2.131 20 0 FEADMM COc1cc(C=O)cc(OC)c1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747228426 673913754 /nfs/dbraw/zinc/91/37/54/673913754.db2.gz HJMHTYCVPCRHQJ-UHFFFAOYSA-N -1 1 354.384 2.131 20 0 FEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(N)c1 ZINC000548260250 673943896 /nfs/dbraw/zinc/94/38/96/673943896.db2.gz UZZRKHNROLZTNT-UHFFFAOYSA-N -1 1 354.359 2.306 20 0 FEADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000566509668 675220281 /nfs/dbraw/zinc/22/02/81/675220281.db2.gz FUTHJTULCQJFFR-IPYPFGDCSA-N -1 1 370.471 2.138 20 0 FEADMM O=S(=O)([N-]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Cl)sc1Cl ZINC000566837942 675246203 /nfs/dbraw/zinc/24/62/03/675246203.db2.gz NPJXWVLACHBBDK-DTORHVGOSA-N -1 1 371.311 2.196 20 0 FEADMM CCc1nc(SCC(=O)Nc2nnc([C@@H]3CCCO3)o2)[n-]c(=O)c1C ZINC000567628004 675307856 /nfs/dbraw/zinc/30/78/56/675307856.db2.gz GXUBYFVWMWSGIG-JTQLQIEISA-N -1 1 365.415 2.018 20 0 FEADMM CO[C@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@H](C(=O)[O-])C1 ZINC000568285072 675363977 /nfs/dbraw/zinc/36/39/77/675363977.db2.gz XPKWTFLQCHHSHS-BONVTDFDSA-N -1 1 363.801 2.434 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Br)c(F)cc1F ZINC000568583730 675384217 /nfs/dbraw/zinc/38/42/17/675384217.db2.gz BSLWISNKBGQOIJ-UHFFFAOYSA-N -1 1 372.173 2.440 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F)C1CCCC1 ZINC000656912602 677864778 /nfs/dbraw/zinc/86/47/78/677864778.db2.gz DBTPFILHIUNRNG-GJZGRUSLSA-N -1 1 363.426 2.123 20 0 FEADMM O=C(CSc1ccc(F)c(F)c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823066216 675526843 /nfs/dbraw/zinc/52/68/43/675526843.db2.gz QLCGOGLMTVVRLX-UHFFFAOYSA-N -1 1 354.367 2.332 20 0 FEADMM O=C(CSc1ccc(F)c(F)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823066216 675526845 /nfs/dbraw/zinc/52/68/45/675526845.db2.gz QLCGOGLMTVVRLX-UHFFFAOYSA-N -1 1 354.367 2.332 20 0 FEADMM C[C@@H]1CC2(CN1Cc1n[nH]c(=O)[n-]1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823650365 675565256 /nfs/dbraw/zinc/56/52/56/675565256.db2.gz ZULVFQHFSAICBR-GFCCVEGCSA-N -1 1 351.451 2.122 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCc3cc[nH]c(=O)c32)c(=O)[n-]1 ZINC000823779648 675571554 /nfs/dbraw/zinc/57/15/54/675571554.db2.gz GLMALFJXLVTCQW-UHFFFAOYSA-N -1 1 360.439 2.225 20 0 FEADMM O=C(c1coc(CO)c1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000825209339 675641851 /nfs/dbraw/zinc/64/18/51/675641851.db2.gz XSIAGVSWQKPPDO-UHFFFAOYSA-N -1 1 350.802 2.089 20 0 FEADMM O=C(NC[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1[O-] ZINC000825433084 675652925 /nfs/dbraw/zinc/65/29/25/675652925.db2.gz STDUFBGKZZANCJ-LBPRGKRZSA-N -1 1 370.243 2.470 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC000826256768 675685232 /nfs/dbraw/zinc/68/52/32/675685232.db2.gz ZJAKQXYEAWDHPT-UHFFFAOYSA-N -1 1 363.175 2.224 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCOc1cc(Cl)ccc1Cl ZINC000826501203 675689520 /nfs/dbraw/zinc/68/95/20/675689520.db2.gz FBLSHMSLVWUPPT-UHFFFAOYSA-N -1 1 352.181 2.414 20 0 FEADMM O[C@]1(Cc2cccc(Cl)c2)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826506224 675689854 /nfs/dbraw/zinc/68/98/54/675689854.db2.gz OZOKUFSNLYDKRX-KRWDZBQOSA-N -1 1 356.817 2.099 20 0 FEADMM O[C@]1(Cc2cccc(Cl)c2)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826506224 675689858 /nfs/dbraw/zinc/68/98/58/675689858.db2.gz OZOKUFSNLYDKRX-KRWDZBQOSA-N -1 1 356.817 2.099 20 0 FEADMM C[C@@]1(c2ccccc2)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCO1 ZINC000826915083 675715354 /nfs/dbraw/zinc/71/53/54/675715354.db2.gz VXXJOHXRYLDMEX-SFHVURJKSA-N -1 1 354.435 2.406 20 0 FEADMM COc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000827352700 675750546 /nfs/dbraw/zinc/75/05/46/675750546.db2.gz NQDZIQOEHSIWGU-SNVBAGLBSA-N -1 1 366.286 2.066 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000605432182 675814528 /nfs/dbraw/zinc/81/45/28/675814528.db2.gz HIVPQGVAPTXCPM-UHFFFAOYSA-N -1 1 371.484 2.220 20 0 FEADMM CCn1c(CC(C)C)nnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000828522933 675827591 /nfs/dbraw/zinc/82/75/91/675827591.db2.gz MYKVZHHFTZVNFC-NEPJUHHUSA-N -1 1 361.412 2.390 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1NC(C)=O ZINC000608342609 675889050 /nfs/dbraw/zinc/88/90/50/675889050.db2.gz GMQNDSYYLVGVBE-UHFFFAOYSA-N -1 1 350.396 2.468 20 0 FEADMM O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1c([O-])cccc1F ZINC000608367578 675889618 /nfs/dbraw/zinc/88/96/18/675889618.db2.gz XULVBMSVHQXPDW-UHFFFAOYSA-N -1 1 372.805 2.492 20 0 FEADMM CCOC(=O)c1nnc([N-]C(=O)c2c(F)ccc(OC)c2OC)s1 ZINC000616010323 676236664 /nfs/dbraw/zinc/23/66/64/676236664.db2.gz IHRMGMYCKUFXCV-UHFFFAOYSA-N -1 1 355.347 2.123 20 0 FEADMM COCC1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCC1 ZINC000617193194 676274223 /nfs/dbraw/zinc/27/42/23/676274223.db2.gz BJRZOBMWSFZUJQ-UHFFFAOYSA-N -1 1 358.460 2.045 20 0 FEADMM CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000617528714 676290696 /nfs/dbraw/zinc/29/06/96/676290696.db2.gz YDUPNWDNXZGDFD-ZKYQVNSYSA-N -1 1 372.259 2.451 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2[C@@H](C)CO)c(=O)[n-]1 ZINC000617850218 676308779 /nfs/dbraw/zinc/30/87/79/676308779.db2.gz BXBUZJXEELHXJZ-SMDDNHRTSA-N -1 1 353.488 2.155 20 0 FEADMM O=S(=O)([N-][C@H](CO)CC1CC1)c1cc(Br)c(F)cc1F ZINC000677242929 679669626 /nfs/dbraw/zinc/66/96/26/679669626.db2.gz KSZZBPPMSJOFNO-QMMMGPOBSA-N -1 1 370.215 2.167 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1 ZINC000619855999 676397247 /nfs/dbraw/zinc/39/72/47/676397247.db2.gz UWQXZKQZZMGRPT-UHFFFAOYSA-N -1 1 365.436 2.018 20 0 FEADMM CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000619865254 676397783 /nfs/dbraw/zinc/39/77/83/676397783.db2.gz IMIXFVJCVRWNBH-UHFFFAOYSA-N -1 1 365.411 2.022 20 0 FEADMM COc1cc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc(Cl)c1[O-] ZINC000620098496 676406272 /nfs/dbraw/zinc/40/62/72/676406272.db2.gz PLNHNADWXUSOMG-LBPRGKRZSA-N -1 1 367.833 2.074 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1csc([C@@H]2CCCO2)n1 ZINC000677402864 679679546 /nfs/dbraw/zinc/67/95/46/679679546.db2.gz GXUPYJXVCODXRD-QWHCGFSZSA-N -1 1 356.411 2.027 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](CN2CCCC2=O)C1 ZINC000620254386 676411803 /nfs/dbraw/zinc/41/18/03/676411803.db2.gz QWQBUKYAJGEBCD-LLVKDONJSA-N -1 1 367.243 2.239 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H](Sc3ccccc3)C(C)C)nc2n1 ZINC000622871379 676509094 /nfs/dbraw/zinc/50/90/94/676509094.db2.gz ZTMZDEWZKRIVSP-CQSZACIVSA-N -1 1 357.439 2.481 20 0 FEADMM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1noc(C2CC2)n1 ZINC000677848264 679700552 /nfs/dbraw/zinc/70/05/52/679700552.db2.gz WREZPZUDGYWUGT-UHFFFAOYSA-N -1 1 360.395 2.222 20 0 FEADMM Cc1cc(C2([N-]S(=O)(=O)c3ccc(F)cc3F)CCOCC2)on1 ZINC000625654193 676665347 /nfs/dbraw/zinc/66/53/47/676665347.db2.gz RAFRKLUHFQWCIU-UHFFFAOYSA-N -1 1 358.366 2.245 20 0 FEADMM COc1ccccc1SCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000677868322 679701723 /nfs/dbraw/zinc/70/17/23/679701723.db2.gz FJECVDYUFHSJMQ-MRXNPFEDSA-N -1 1 355.423 2.206 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CC2CCC(F)(F)CC2)c1 ZINC000627408322 676753664 /nfs/dbraw/zinc/75/36/64/676753664.db2.gz UBGBFPLQYUUOMK-UHFFFAOYSA-N -1 1 362.398 2.454 20 0 FEADMM COc1cccc([C@H](CNC(=O)c2c(C)[n-]c(=O)nc2SC)OC)c1 ZINC000628285427 676796973 /nfs/dbraw/zinc/79/69/73/676796973.db2.gz UBJSZNJKKXERDZ-ZDUSSCGKSA-N -1 1 363.439 2.339 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N=c3nc(C4CCOCC4)[n-]s3)[nH]n2)o1 ZINC000629100306 676830900 /nfs/dbraw/zinc/83/09/00/676830900.db2.gz OVRFCMRHDAZYDJ-UHFFFAOYSA-N -1 1 359.411 2.398 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC)c(Cl)c1)C1CC1 ZINC000629287101 676840453 /nfs/dbraw/zinc/84/04/53/676840453.db2.gz FPEDLYBFPHYJOP-CQSZACIVSA-N -1 1 360.863 2.256 20 0 FEADMM O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629374021 676852556 /nfs/dbraw/zinc/85/25/56/676852556.db2.gz OJPYXUNYMCDJLD-UHFFFAOYSA-N -1 1 363.439 2.264 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000630222682 676887994 /nfs/dbraw/zinc/88/79/94/676887994.db2.gz HEAJJBAIWCTHIQ-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM Cc1sc(-c2ccco2)nc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630223743 676888135 /nfs/dbraw/zinc/88/81/35/676888135.db2.gz KOPGKRGYMCKSCO-UHFFFAOYSA-N -1 1 363.439 2.333 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630224658 676888337 /nfs/dbraw/zinc/88/83/37/676888337.db2.gz CLWBNSSZWQFSBC-UHFFFAOYSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc2ccccc2c(C(=O)[O-])c1)N(C)C1CC1 ZINC000630965190 676927733 /nfs/dbraw/zinc/92/77/33/676927733.db2.gz OTHDQJUFTXYPQV-LBPRGKRZSA-N -1 1 362.451 2.299 20 0 FEADMM O=C(CCc1nn[n-]n1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000631510216 676946933 /nfs/dbraw/zinc/94/69/33/676946933.db2.gz DOGSXFKPPCSHKN-UHFFFAOYSA-N -1 1 353.348 2.389 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000631786872 676957577 /nfs/dbraw/zinc/95/75/77/676957577.db2.gz HGRBFNODYCAACV-CQSZACIVSA-N -1 1 362.451 2.206 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CN1C1CCCCC1 ZINC000632115165 676976598 /nfs/dbraw/zinc/97/65/98/676976598.db2.gz LDRWOOKUUIIWFN-JTQLQIEISA-N -1 1 362.398 2.429 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1c[nH]nc1C(F)(F)F ZINC000632140700 676978133 /nfs/dbraw/zinc/97/81/33/676978133.db2.gz GODVOEOBSJYEPV-XRNSZHNASA-N -1 1 365.377 2.055 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)C1(O)CCCC1 ZINC000632425866 676993407 /nfs/dbraw/zinc/99/34/07/676993407.db2.gz IINRYHMRKTWDQQ-UHFFFAOYSA-N -1 1 355.382 2.038 20 0 FEADMM Cn1c(=O)ccc2c1CCC[C@H]2[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632516048 676998728 /nfs/dbraw/zinc/99/87/28/676998728.db2.gz ZROVCGMXMHHAKA-SNVBAGLBSA-N -1 1 358.366 2.272 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cscc1Br)[C@@H](O)C(F)(F)F ZINC000632677132 677009915 /nfs/dbraw/zinc/00/99/15/677009915.db2.gz UQDPVXJMDYMKJC-CLZZGJSISA-N -1 1 368.196 2.101 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000830476745 677041820 /nfs/dbraw/zinc/04/18/20/677041820.db2.gz UMMRALCPUIPCNF-IUCAKERBSA-N -1 1 365.377 2.442 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)Oc1ccc(Cl)cc1 ZINC000830740108 677058744 /nfs/dbraw/zinc/05/87/44/677058744.db2.gz QJPPSMUFSMUVSY-MRVPVSSYSA-N -1 1 350.227 2.462 20 0 FEADMM CC(C)[C@@H]1C[C@@H](CC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000830808141 677062094 /nfs/dbraw/zinc/06/20/94/677062094.db2.gz WURQLRJDVBCYOF-HEHGZKQESA-N -1 1 364.408 2.497 20 0 FEADMM CCOCCC1(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CCC1 ZINC000830815694 677062559 /nfs/dbraw/zinc/06/25/59/677062559.db2.gz DWXBVZJPFZSVCC-AWEZNQCLSA-N -1 1 350.381 2.253 20 0 FEADMM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1cn(C2CC2)nn1 ZINC000633731059 677063074 /nfs/dbraw/zinc/06/30/74/677063074.db2.gz KHQPFLCXDZBRCD-UHFFFAOYSA-N -1 1 354.264 2.371 20 0 FEADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830822288 677063355 /nfs/dbraw/zinc/06/33/55/677063355.db2.gz PMBWITJCSBXSIE-JMSVASOKSA-N -1 1 350.381 2.251 20 0 FEADMM CC(C)Oc1cc(NC(=O)CCc2nn[n-]n2)ccc1Br ZINC000634057786 677070779 /nfs/dbraw/zinc/07/07/79/677070779.db2.gz YAGLBXSYBAYFEZ-UHFFFAOYSA-N -1 1 354.208 2.321 20 0 FEADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCCCN(C)C1=O ZINC000634144353 677071770 /nfs/dbraw/zinc/07/17/70/677071770.db2.gz QBRJIIZASDDNFM-GFCCVEGCSA-N -1 1 355.232 2.238 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000634499146 677076561 /nfs/dbraw/zinc/07/65/61/677076561.db2.gz WGTNPEYWIMXUPX-KFWWJZLASA-N -1 1 365.499 2.297 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1cnn(C2CCCC2)c1 ZINC000634655966 677078910 /nfs/dbraw/zinc/07/89/10/677078910.db2.gz PPLJUVQYVHCWCW-UHFFFAOYSA-N -1 1 358.427 2.380 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)sn1 ZINC000634655900 677078913 /nfs/dbraw/zinc/07/89/13/677078913.db2.gz NAXPXJHRLVGGOA-UHFFFAOYSA-N -1 1 366.512 2.313 20 0 FEADMM C[C@H](CC(=O)[O-])CC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000634831918 677083854 /nfs/dbraw/zinc/08/38/54/677083854.db2.gz NACQCMIAUGAZKS-HOCLYGCPSA-N -1 1 350.484 2.221 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000635020338 677087607 /nfs/dbraw/zinc/08/76/07/677087607.db2.gz LRRZEWSTBUIBRC-MGPLVRAMSA-N -1 1 358.797 2.229 20 0 FEADMM CC(C)=C(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000635740075 677105632 /nfs/dbraw/zinc/10/56/32/677105632.db2.gz WSWZJLNMRZAGRT-UHFFFAOYSA-N -1 1 368.455 2.098 20 0 FEADMM CCOc1cc(Br)c(F)cc1NC(=O)CCCc1nn[n-]n1 ZINC000635948035 677110833 /nfs/dbraw/zinc/11/08/33/677110833.db2.gz PQMMCYJLUPYRCG-UHFFFAOYSA-N -1 1 372.198 2.461 20 0 FEADMM O=C(CCCc1nn[n-]n1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000636014633 677112044 /nfs/dbraw/zinc/11/20/44/677112044.db2.gz PRSYJKAOLASDQB-LBPRGKRZSA-N -1 1 365.235 2.044 20 0 FEADMM O=C(CCCc1nn[n-]n1)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000636173554 677114749 /nfs/dbraw/zinc/11/47/49/677114749.db2.gz UALAKYBMHGNIGS-UHFFFAOYSA-N -1 1 354.439 2.231 20 0 FEADMM Cc1cc(Br)c2c(c1)CCN(C(=O)CCCc1nn[n-]n1)C2 ZINC000636306723 677117095 /nfs/dbraw/zinc/11/70/95/677117095.db2.gz PHDWAFJDLMYTGV-UHFFFAOYSA-N -1 1 364.247 2.178 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)NCc2cc(=O)[n-]c(SC)n2)s1 ZINC000640657295 677185390 /nfs/dbraw/zinc/18/53/90/677185390.db2.gz DFUCEFVHUFRSPD-MRVPVSSYSA-N -1 1 354.457 2.388 20 0 FEADMM CSc1nc(CNC(=O)c2ccnc(N3CC[C@H](C)C3)c2)cc(=O)[n-]1 ZINC000640658596 677185487 /nfs/dbraw/zinc/18/54/87/677185487.db2.gz QBGWYQMLLSSMHT-NSHDSACASA-N -1 1 359.455 2.075 20 0 FEADMM C[C@]1(CS(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1(F)F ZINC000641530571 677209168 /nfs/dbraw/zinc/20/91/68/677209168.db2.gz 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CCN(CC)CCS(=O)(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000646022095 677277194 /nfs/dbraw/zinc/27/71/94/677277194.db2.gz ZYDJJIZOULCEJY-UHFFFAOYSA-N -1 1 370.496 2.361 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(CC(C)C)c1C)C1CCOCC1 ZINC000647129580 677295813 /nfs/dbraw/zinc/29/58/13/677295813.db2.gz KQUUGPUZWYXBNR-MRXNPFEDSA-N -1 1 359.492 2.031 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3n[nH]cc3Br)ccc2O1 ZINC000647906633 677308225 /nfs/dbraw/zinc/30/82/25/677308225.db2.gz CPEBVLNCNFVWPP-ZETCQYMHSA-N -1 1 358.217 2.296 20 0 FEADMM O=C(NCc1nn[n-]n1)C1(c2ccccc2Br)CCCCC1 ZINC000648307744 677314133 /nfs/dbraw/zinc/31/41/33/677314133.db2.gz VLDUBCGFEPKMCB-UHFFFAOYSA-N -1 1 364.247 2.481 20 0 FEADMM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000648622395 677318096 /nfs/dbraw/zinc/31/80/96/677318096.db2.gz LWKLNVPUFFPLSQ-CYBMUJFWSA-N -1 1 350.724 2.186 20 0 FEADMM Cc1sc(N[C@H](C)CN2CCN(c3ccccc3)CC2)nc1C(=O)[O-] ZINC000649391852 677330527 /nfs/dbraw/zinc/33/05/27/677330527.db2.gz 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ZINC000653847376 677551274 /nfs/dbraw/zinc/55/12/74/677551274.db2.gz UVLAWKVCCBAYLB-NSHDSACASA-N -1 1 365.373 2.450 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H](C)COc2ccccc2)o1 ZINC000761285382 680717868 /nfs/dbraw/zinc/71/78/68/680717868.db2.gz XYVMUJKQMPAESD-LBPRGKRZSA-N -1 1 353.396 2.060 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)ccc1[N-]S(C)(=O)=O ZINC000656495418 677758738 /nfs/dbraw/zinc/75/87/38/677758738.db2.gz PMDBMEMGUNXTNL-WXHSDQCUSA-N -1 1 353.444 2.377 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl)[C@@H]1CCOC1 ZINC000656626206 677791448 /nfs/dbraw/zinc/79/14/48/677791448.db2.gz MEBDQSNUWJUDJW-IUODEOHRSA-N -1 1 361.847 2.336 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2ncn(C)n2)cc1)C1CCCC1 ZINC000656629929 677794743 /nfs/dbraw/zinc/79/47/43/677794743.db2.gz ZCXMDNCUUWPFJS-INIZCTEOSA-N -1 1 364.471 2.429 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NCc2cc[nH]n2)c1)OCC(F)(F)F ZINC000761711326 680729978 /nfs/dbraw/zinc/72/99/78/680729978.db2.gz 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Cc1nc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)[nH]c1C ZINC000665095615 678940878 /nfs/dbraw/zinc/94/08/78/678940878.db2.gz PMDOJFOVPHRXMV-SECBINFHSA-N -1 1 353.429 2.178 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc(F)cc1 ZINC000665301783 678951246 /nfs/dbraw/zinc/95/12/46/678951246.db2.gz DYXYANLWKWMDHE-JKSUJKDBSA-N -1 1 351.422 2.229 20 0 FEADMM COc1ccc(NC(=O)[C@]2(O)CCCC(C)(C)C2)cc1[N-]S(C)(=O)=O ZINC000665965041 678994388 /nfs/dbraw/zinc/99/43/88/678994388.db2.gz CIUAHVKBWQRAMX-KRWDZBQOSA-N -1 1 370.471 2.337 20 0 FEADMM COCC1(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000666200753 679008664 /nfs/dbraw/zinc/00/86/64/679008664.db2.gz UIGXJWGONWJQIK-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM Cn1[n-]c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1=O ZINC000668397055 679172319 /nfs/dbraw/zinc/17/23/19/679172319.db2.gz SVONTKUDVGVMDI-UHFFFAOYSA-N -1 1 362.861 2.421 20 0 FEADMM NS(=O)(=O)c1cc2c(s1)CCN(Cc1cccc([O-])c1Cl)C2 ZINC000668760781 679198705 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CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@](C)(O)c2ccccc2)o1 ZINC000845982653 681169470 /nfs/dbraw/zinc/16/94/70/681169470.db2.gz LKILTZJTRUYCPA-SJKOYZFVSA-N -1 1 367.423 2.031 20 0 FEADMM C[C@@H](C[C@H]1CCOC1)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000774733345 681227324 /nfs/dbraw/zinc/22/73/24/681227324.db2.gz DCZDQLUQUWFSDA-NWDGAFQWSA-N -1 1 359.444 2.328 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774936040 681253493 /nfs/dbraw/zinc/25/34/93/681253493.db2.gz GOKBADZLAIYGRO-QMMMGPOBSA-N -1 1 355.259 2.344 20 0 FEADMM CCN(C)C(=O)c1cccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774950338 681255892 /nfs/dbraw/zinc/25/58/92/681255892.db2.gz ZPPSCMLVZVTYBB-UHFFFAOYSA-N -1 1 360.332 2.004 20 0 FEADMM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000846619452 681268684 /nfs/dbraw/zinc/26/86/84/681268684.db2.gz DLPZNQNPNGNYOD-NSHDSACASA-N -1 1 350.444 2.210 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000775669117 681323072 /nfs/dbraw/zinc/32/30/72/681323072.db2.gz FRZIDEHNRSHFJX-UHFFFAOYSA-N -1 1 363.317 2.120 20 0 FEADMM C[C@H]1CCN(CC[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000775711666 681327011 /nfs/dbraw/zinc/32/70/11/681327011.db2.gz FGKZXZINWGFZAU-ZETCQYMHSA-N -1 1 358.332 2.002 20 0 FEADMM C[C@@H](c1ccco1)N(C)C(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000933103125 681362796 /nfs/dbraw/zinc/36/27/96/681362796.db2.gz JRNJVSKAPRFCMA-JTQLQIEISA-N -1 1 352.337 2.142 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NOC1CCCCC1 ZINC000847357086 681367654 /nfs/dbraw/zinc/36/76/54/681367654.db2.gz GDZUQSNRCQBVGC-ZYHUDNBSSA-N -1 1 351.369 2.492 20 0 FEADMM O=C(CCc1c(Cl)cccc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000847471446 681382798 /nfs/dbraw/zinc/38/27/98/681382798.db2.gz AODDCAFVHJDYDB-LBPRGKRZSA-N -1 1 356.213 2.039 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776564653 681406658 /nfs/dbraw/zinc/40/66/58/681406658.db2.gz OUFRDJWJTVVQDI-NSHDSACASA-N -1 1 368.260 2.201 20 0 FEADMM Cc1[nH]c(=O)[nH]c1C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000848197979 681492461 /nfs/dbraw/zinc/49/24/61/681492461.db2.gz ZZFREQCZVBCNOE-UHFFFAOYSA-N -1 1 356.304 2.163 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1 ZINC000777623612 681512665 /nfs/dbraw/zinc/51/26/65/681512665.db2.gz KTWUUWXVPHXCIB-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc2cccnc2[nH]1 ZINC000848338683 681522470 /nfs/dbraw/zinc/52/24/70/681522470.db2.gz RINHDRFCSCFMNJ-MWLCHTKSSA-N -1 1 354.332 2.235 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)s1 ZINC000848443462 681543407 /nfs/dbraw/zinc/54/34/07/681543407.db2.gz QSPGFQAIXLWVKP-UHFFFAOYSA-N -1 1 372.443 2.418 20 0 FEADMM CCC[C@H](NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F)c1nn[n-]n1 ZINC000934313316 681549779 /nfs/dbraw/zinc/54/97/79/681549779.db2.gz MBZGISQWANDSSG-NTZNESFSSA-N -1 1 351.357 2.042 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1nc(C(C)(C)C)no1 ZINC000777979862 681551942 /nfs/dbraw/zinc/55/19/42/681551942.db2.gz ADPPCBXQDNZHEH-JTQLQIEISA-N -1 1 353.448 2.013 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OC(C)(C)C ZINC000777994340 681554369 /nfs/dbraw/zinc/55/43/69/681554369.db2.gz MPHMMXXUQDFNSZ-SSDOTTSWSA-N -1 1 355.243 2.397 20 0 FEADMM CCCCOCCOCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778015159 681557734 /nfs/dbraw/zinc/55/77/34/681557734.db2.gz SNMOLUUTJWYHCC-UHFFFAOYSA-N -1 1 371.286 2.500 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)CCNC(=O)OC(C)(C)C)sc1C ZINC000778047883 681563615 /nfs/dbraw/zinc/56/36/15/681563615.db2.gz COZCMGZNNABOHB-SECBINFHSA-N -1 1 363.505 2.342 20 0 FEADMM CSCC[C@H](NC(=O)c1ccc(Br)cc1F)c1nn[n-]n1 ZINC000912860097 685458242 /nfs/dbraw/zinc/45/82/42/685458242.db2.gz MYPCHPNRCGASLV-JTQLQIEISA-N -1 1 374.239 2.326 20 0 FEADMM CSCC[C@H](NC(=O)COc1cc(C)ccc1Cl)c1nn[n-]n1 ZINC000912860296 685458426 /nfs/dbraw/zinc/45/84/26/685458426.db2.gz RNSKTUGNWZJBPY-NSHDSACASA-N -1 1 355.851 2.151 20 0 FEADMM CSCC[C@H](NC(=O)[C@H](c1cccc(Cl)c1)N(C)C)c1nn[n-]n1 ZINC000912860734 685459107 /nfs/dbraw/zinc/45/91/07/685459107.db2.gz WESUTNINZGHIHA-STQMWFEESA-N -1 1 368.894 2.066 20 0 FEADMM Cc1c2ccccc2c(=O)oc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000848799839 681623392 /nfs/dbraw/zinc/62/33/92/681623392.db2.gz QIHZXURMGGIOGM-UHFFFAOYSA-N -1 1 357.284 2.327 20 0 FEADMM COc1ccccc1CC(C)=CC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860537 685459364 /nfs/dbraw/zinc/45/93/64/685459364.db2.gz PQKWVTLRRLCNEM-NYHXXUGCSA-N -1 1 361.471 2.308 20 0 FEADMM COc1ccccc1C/C(C)=C\C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860537 685459368 /nfs/dbraw/zinc/45/93/68/685459368.db2.gz PQKWVTLRRLCNEM-NYHXXUGCSA-N -1 1 361.471 2.308 20 0 FEADMM CSCC[C@H](NC(=O)c1cccn1Cc1cccs1)c1nn[n-]n1 ZINC000912860802 685459478 /nfs/dbraw/zinc/45/94/78/685459478.db2.gz YWPRJYLRDIAUQW-LBPRGKRZSA-N -1 1 362.484 2.335 20 0 FEADMM CSCC[C@H](NC(=O)c1cc(C)ccc1N1CCCC1)c1nn[n-]n1 ZINC000912861584 685460290 /nfs/dbraw/zinc/46/02/90/685460290.db2.gz QMIIFKKREGBHRT-AWEZNQCLSA-N -1 1 360.487 2.333 20 0 FEADMM CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(SC)cc1)c1nn[n-]n1 ZINC000912861723 685460301 /nfs/dbraw/zinc/46/03/01/685460301.db2.gz VSJQKZUVAHRMKW-MFKMUULPSA-N -1 1 367.500 2.300 20 0 FEADMM CC(C)(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)c1cccs1 ZINC000779457072 681718014 /nfs/dbraw/zinc/71/80/14/681718014.db2.gz WFCLGODLYQAMJO-UHFFFAOYSA-N -1 1 353.362 2.264 20 0 FEADMM Cc1c(Br)cc(F)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000935367038 681737868 /nfs/dbraw/zinc/73/78/68/681737868.db2.gz JIYLCPMWNHRWBD-ZETCQYMHSA-N -1 1 356.199 2.285 20 0 FEADMM COc1cccc(C[C@@H](C)CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000935456364 681754602 /nfs/dbraw/zinc/75/46/02/681754602.db2.gz IVHQTJUKFKASFB-DOMZBBRYSA-N -1 1 361.471 2.094 20 0 FEADMM Cc1ccc(F)c(NS(=O)(=O)c2cn3c(n2)CCCC3)c1C(=O)[O-] ZINC000779835102 681758034 /nfs/dbraw/zinc/75/80/34/681758034.db2.gz ZZIUFFZQOIQGAN-UHFFFAOYSA-N -1 1 353.375 2.166 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495097 685478587 /nfs/dbraw/zinc/47/85/87/685478587.db2.gz RFFRLPDUMZWXGR-NOZJJQNGSA-N -1 1 370.240 2.285 20 0 FEADMM Cc1c2occ(CC(=O)N3CCOC[C@@H]3c3nn[n-]n3)c2ccc1Cl ZINC000913493726 685478651 /nfs/dbraw/zinc/47/86/51/685478651.db2.gz HFTHXLJAQSLCBE-CYBMUJFWSA-N -1 1 361.789 2.050 20 0 FEADMM Cc1nc(C2CCCCC2)sc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496293 685478689 /nfs/dbraw/zinc/47/86/89/685478689.db2.gz XDWBRUUGAWMNNM-GFCCVEGCSA-N -1 1 362.459 2.226 20 0 FEADMM Cc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)sc1-c1ccccc1 ZINC000913499947 685478839 /nfs/dbraw/zinc/47/88/39/685478839.db2.gz SUZMXOWSYYIRME-ZDUSSCGKSA-N -1 1 355.423 2.450 20 0 FEADMM C[C@H](CC(=O)N1CCC(c2nn[n-]n2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000913744096 685484022 /nfs/dbraw/zinc/48/40/22/685484022.db2.gz AALJNIONFIYWIT-LLVKDONJSA-N -1 1 361.833 2.468 20 0 FEADMM O=C(Cc1cccc(OC(F)(F)F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743879 685484040 /nfs/dbraw/zinc/48/40/40/685484040.db2.gz PIKUNDULNWBXLK-UHFFFAOYSA-N -1 1 355.320 2.047 20 0 FEADMM O=C(/C=C/Sc1cc(F)ccc1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913744758 685484118 /nfs/dbraw/zinc/48/41/18/685484118.db2.gz CKKMVWTZVIIUNG-VMPITWQZSA-N -1 1 351.382 2.490 20 0 FEADMM O=C(C1=C(c2ccccc2)SCCO1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745531 685484145 /nfs/dbraw/zinc/48/41/45/685484145.db2.gz ITGRMZSCFQVYPT-UHFFFAOYSA-N -1 1 357.439 2.038 20 0 FEADMM Cc1ccc(Br)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000935828881 681831506 /nfs/dbraw/zinc/83/15/06/681831506.db2.gz AMVJRGZQMNORFQ-UHFFFAOYSA-N -1 1 367.203 2.261 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000780617804 681852386 /nfs/dbraw/zinc/85/23/86/681852386.db2.gz AAZVCOXIEKSKSU-RHSMWYFYSA-N -1 1 353.850 2.495 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccnn2C2CCC2)C1)C(F)(F)F ZINC000936049545 681884005 /nfs/dbraw/zinc/88/40/05/681884005.db2.gz QZAHSBFHSJCXBJ-NSHDSACASA-N -1 1 358.364 2.139 20 0 FEADMM Cn1ncc2c1CCC[C@H]2NC(=O)NCCc1c(F)cc([O-])cc1F ZINC000914190745 685498102 /nfs/dbraw/zinc/49/81/02/685498102.db2.gz ZAAKYWDCDPCEDD-OAHLLOKOSA-N -1 1 350.369 2.323 20 0 FEADMM CCCCC[C@@H]([N-]S(=O)(=O)Cc1noc2c1CCCC2)C(=O)OC ZINC000914230054 685499935 /nfs/dbraw/zinc/49/99/35/685499935.db2.gz CZAROVIBIJFTEG-CYBMUJFWSA-N -1 1 358.460 2.095 20 0 FEADMM CC[C@@H](O)CC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914257215 685501165 /nfs/dbraw/zinc/50/11/65/685501165.db2.gz WBPXTSNMQQBVQO-STFLBKPXSA-N -1 1 374.406 2.029 20 0 FEADMM COC1CC([N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914365785 685505560 /nfs/dbraw/zinc/50/55/60/685505560.db2.gz BEKXGSAUXATOTR-IXKRCAMASA-N -1 1 372.390 2.045 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000940062235 682025125 /nfs/dbraw/zinc/02/51/25/682025125.db2.gz ZWWDAMCWJFUSKQ-BXUZGUMPSA-N -1 1 359.813 2.331 20 0 FEADMM O=C(NCCc1c(F)cc([O-])cc1F)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000915440379 685515217 /nfs/dbraw/zinc/51/52/17/685515217.db2.gz RXQIXQTWTFDSKK-SECBINFHSA-N -1 1 367.318 2.149 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1nccs1 ZINC000783081508 682109930 /nfs/dbraw/zinc/10/99/30/682109930.db2.gz VMIRVMWZWLVNAS-UHFFFAOYSA-N -1 1 368.436 2.335 20 0 FEADMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000915840091 685518726 /nfs/dbraw/zinc/51/87/26/685518726.db2.gz ONUFESDXJBIZSF-ADVUTCEVSA-N -1 1 364.423 2.265 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)Cc2ccco2)cc1[N-]S(C)(=O)=O ZINC000916510069 685525062 /nfs/dbraw/zinc/52/50/62/685525062.db2.gz AGIPNEVQRGANLX-NSHDSACASA-N -1 1 367.427 2.412 20 0 FEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C)C2)c1F ZINC000916636546 685526393 /nfs/dbraw/zinc/52/63/93/685526393.db2.gz FNTKBFIQRHZUFF-YUMQZZPRSA-N -1 1 368.224 2.053 20 0 FEADMM CCCCOCCCNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851970951 682195180 /nfs/dbraw/zinc/19/51/80/682195180.db2.gz LZAAVNPIBFDDOP-OLZOCXBDSA-N -1 1 367.412 2.292 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCOCC1 ZINC000916801174 685527800 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O=C(c1cccc([C@@H]2CCCOC2)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475541 691494484 /nfs/dbraw/zinc/49/44/84/691494484.db2.gz OTTLJURINQARRC-CABCVRRESA-N -1 1 359.455 2.024 20 0 FEADMM O=C(CSc1ccc2c(c1)CCC2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475791 691495079 /nfs/dbraw/zinc/49/50/79/691495079.db2.gz LMNIKBRHTNWSNT-CQSZACIVSA-N -1 1 361.496 2.097 20 0 FEADMM C/C=C/COc1cccc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000907479973 691497031 /nfs/dbraw/zinc/49/70/31/691497031.db2.gz KAVWSJPCLZADHT-XYBNCVKDSA-N -1 1 359.455 2.014 20 0 FEADMM O=C(/C=C/Sc1cc(F)ccc1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480873 691497636 /nfs/dbraw/zinc/49/76/36/691497636.db2.gz WRFTZJCMEWHCJT-JOAKQRRISA-N -1 1 369.422 2.400 20 0 FEADMM CC(C)(C)c1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1Cl ZINC000907942508 691587651 /nfs/dbraw/zinc/58/76/51/691587651.db2.gz YWLHQPXCESQCCR-UHFFFAOYSA-N -1 1 363.849 2.274 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2F)[n-]c1=O ZINC000908017257 691599209 /nfs/dbraw/zinc/59/92/09/691599209.db2.gz SMGPBLBNCJDGLS-LBPRGKRZSA-N -1 1 367.402 2.164 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)c1ccc(F)c(F)c1F)CCO2 ZINC000908029095 691602227 /nfs/dbraw/zinc/60/22/27/691602227.db2.gz RKQPVIQAKVHDGK-CABCVRRESA-N -1 1 365.373 2.458 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCCC(C)(C)O2)c1C(F)(F)F ZINC000908099487 691613579 /nfs/dbraw/zinc/61/35/79/691613579.db2.gz LJVHWYBKLKSFOH-VIFPVBQESA-N -1 1 355.382 2.065 20 0 FEADMM Cn1cc([C@@]2(C[N-]S(=O)(=O)c3cc(Cl)ccc3F)CCCO2)cn1 ZINC000908104129 691614818 /nfs/dbraw/zinc/61/48/18/691614818.db2.gz AZYMYPJPMHBPID-HNNXBMFYSA-N -1 1 373.837 2.197 20 0 FEADMM O=C([O-])C1CC2(C1)C[C@H](NC(=O)Cc1[nH]nc3ccccc31)CCS2 ZINC000908162781 691627407 /nfs/dbraw/zinc/62/74/07/691627407.db2.gz NLKJVWKAUGFRQH-BJCXPLBRSA-N -1 1 359.451 2.351 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC12CCOCC2)c1cc(Cl)cnc1Cl ZINC000908188785 691633649 /nfs/dbraw/zinc/63/36/49/691633649.db2.gz CCCXGBNINWGHNB-NSHDSACASA-N -1 1 367.254 2.005 20 0 FEADMM CC1(Cn2cc(C(=O)Nc3cccc([O-])c3Br)nn2)COC1 ZINC000908710857 691716757 /nfs/dbraw/zinc/71/67/57/691716757.db2.gz UVEGSOFSDVLBPL-UHFFFAOYSA-N -1 1 367.203 2.035 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C(=O)[O-])C1 ZINC000908820980 691735415 /nfs/dbraw/zinc/73/54/15/691735415.db2.gz WZUJCCHZAOSIIT-KCXAZCMYSA-N -1 1 351.422 2.323 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000908820995 691735729 /nfs/dbraw/zinc/73/57/29/691735729.db2.gz XNCHVOQEZXDXLV-JKSUJKDBSA-N -1 1 351.422 2.467 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)C12CCCCC2 ZINC000908831356 691737203 /nfs/dbraw/zinc/73/72/03/691737203.db2.gz IOYPQCVQNMHCEC-BZUAXINKSA-N -1 1 352.475 2.027 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccco1 ZINC000908875765 691745325 /nfs/dbraw/zinc/74/53/25/691745325.db2.gz KNJZZVNTVJUUQA-MNOVXSKESA-N -1 1 365.352 2.367 20 0 FEADMM C[C@@H]1SCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000909414751 691819844 /nfs/dbraw/zinc/81/98/44/691819844.db2.gz OKTMJWFOJLZEEG-YXJHDRRASA-N -1 1 362.495 2.488 20 0 FEADMM CSc1cccc(N2C[C@@H](C(=O)[N-]OCc3ccccn3)CC2=O)c1 ZINC000909526661 691831435 /nfs/dbraw/zinc/83/14/35/691831435.db2.gz TWVBLNBZJNECOG-ZDUSSCGKSA-N -1 1 357.435 2.404 20 0 FEADMM COC(=O)Nc1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c(C)c1 ZINC000909668883 691843792 /nfs/dbraw/zinc/84/37/92/691843792.db2.gz ZXPMOULDTZHDJS-UHFFFAOYSA-N -1 1 362.304 2.399 20 0 FEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000909862701 691865805 /nfs/dbraw/zinc/86/58/05/691865805.db2.gz QTMWFPGEBSYRMD-OAHLLOKOSA-N -1 1 353.300 2.297 20 0 FEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000909862700 691865853 /nfs/dbraw/zinc/86/58/53/691865853.db2.gz QTMWFPGEBSYRMD-HNNXBMFYSA-N -1 1 353.300 2.297 20 0 FEADMM CCN(CC(=O)N[C@H](C(=O)[O-])c1ccccc1Br)C1CC1 ZINC000909955473 691876648 /nfs/dbraw/zinc/87/66/48/691876648.db2.gz RKIFBMNOGPGFHH-AWEZNQCLSA-N -1 1 355.232 2.175 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000910175855 691896634 /nfs/dbraw/zinc/89/66/34/691896634.db2.gz VFLSTZJESALLJM-IIYDPXPESA-N -1 1 366.483 2.005 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2nc(C)ncc2Cl)s1 ZINC000525330222 694607860 /nfs/dbraw/zinc/60/78/60/694607860.db2.gz JONFHXRLUQDJFM-UHFFFAOYSA-N -1 1 373.847 2.197 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C[C@H](C)O1 ZINC000908770266 939318157 /nfs/dbraw/zinc/31/81/57/939318157.db2.gz JBINGKVYQZFALP-UXLLHSPISA-N -1 1 369.506 2.209 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)CC[N@@H+]1C ZINC000230897112 548761651 /nfs/dbraw/zinc/76/16/51/548761651.db2.gz JURCYGDVSXKQRY-KOLCDFICSA-N -1 1 374.222 2.209 20 0 FEADMM CCc1cnc(CNC(=O)c2ccc(I)c([O-])c2)o1 ZINC000234208359 548764439 /nfs/dbraw/zinc/76/44/39/548764439.db2.gz OWFDSZUMWYGBBL-UHFFFAOYSA-N -1 1 372.162 2.477 20 0 FEADMM CCOC(=O)c1ccccc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000005155210 539403696 /nfs/dbraw/zinc/40/36/96/539403696.db2.gz GANNFVBZFPROKO-UHFFFAOYSA-N -1 1 361.423 2.294 20 0 FEADMM CCc1nc(SCC(=O)Nc2ccccc2C(=O)OC)[n-]c(=O)c1C ZINC000005625528 539414101 /nfs/dbraw/zinc/41/41/01/539414101.db2.gz JEFVFNBHZQLJAC-UHFFFAOYSA-N -1 1 361.423 2.158 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000007729285 539464683 /nfs/dbraw/zinc/46/46/83/539464683.db2.gz BCEOKZQWZWZLLX-LLVKDONJSA-N -1 1 360.391 2.409 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000016101169 539627705 /nfs/dbraw/zinc/62/77/05/539627705.db2.gz UAXZTUGIUIIIRW-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000016126579 539628399 /nfs/dbraw/zinc/62/83/99/539628399.db2.gz BESLJHXZEAQXOG-UHFFFAOYSA-N -1 1 364.423 2.254 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)o1 ZINC000027167129 539801912 /nfs/dbraw/zinc/80/19/12/539801912.db2.gz JKOXCAPJJRGYLV-SNVBAGLBSA-N -1 1 354.453 2.401 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cc1C(=O)[O-] ZINC000549936768 674073701 /nfs/dbraw/zinc/07/37/01/674073701.db2.gz PIOYJORKCBRUQW-UHFFFAOYSA-N -1 1 361.326 2.003 20 0 FEADMM CC(C)CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C ZINC000800765163 674075184 /nfs/dbraw/zinc/07/51/84/674075184.db2.gz QCXCXOTZTAJLTG-UHFFFAOYSA-N -1 1 361.412 2.299 20 0 FEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000029436205 539853811 /nfs/dbraw/zinc/85/38/11/539853811.db2.gz IUTLSCMONVJPHM-UHFFFAOYSA-N -1 1 351.403 2.499 20 0 FEADMM COc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000029817881 539865080 /nfs/dbraw/zinc/86/50/80/539865080.db2.gz AJWSWHXVXQZWRY-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM COc1ccc(NC(=O)c2cc(C)ccc2O)cc1[N-]S(C)(=O)=O ZINC000029817307 539865547 /nfs/dbraw/zinc/86/55/47/539865547.db2.gz DETDHUUBGGZLRO-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM CCOc1ncccc1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000030308097 539878951 /nfs/dbraw/zinc/87/89/51/539878951.db2.gz VKMABMRHVAGUQN-UHFFFAOYSA-N -1 1 362.455 2.255 20 0 FEADMM Cn1nccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030582865 539886634 /nfs/dbraw/zinc/88/66/34/539886634.db2.gz KHQHCFZYPJPZEK-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@H]1n1cccn1 ZINC000550022861 674078431 /nfs/dbraw/zinc/07/84/31/674078431.db2.gz PXKZLLSZJRHIGP-YSVLISHTSA-N -1 1 361.423 2.326 20 0 FEADMM COc1cc(NC(=O)c2sc(C)nc2C)ccc1[N-]S(C)(=O)=O ZINC000033070238 539966572 /nfs/dbraw/zinc/96/65/72/539966572.db2.gz DYVXDBIFHAGHQJ-UHFFFAOYSA-N -1 1 355.441 2.392 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1 ZINC000041626004 540027657 /nfs/dbraw/zinc/02/76/57/540027657.db2.gz HPYGUIPLQSADIK-JTQLQIEISA-N -1 1 363.439 2.469 20 0 FEADMM COc1ccc(NC(=O)c2cccc3c[nH]nc32)cc1[N-]S(C)(=O)=O ZINC000044251053 540120917 /nfs/dbraw/zinc/12/09/17/540120917.db2.gz INRTYRJKRMQLET-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM COc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1[N-]S(C)(=O)=O ZINC000044251053 540120920 /nfs/dbraw/zinc/12/09/20/540120920.db2.gz INRTYRJKRMQLET-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM CCCCCNC(=O)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801811 540141563 /nfs/dbraw/zinc/14/15/63/540141563.db2.gz LQOAJPFWWUMAOY-LBPRGKRZSA-N -1 1 357.476 2.174 20 0 FEADMM Cc1ncc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000046771993 540270426 /nfs/dbraw/zinc/27/04/26/540270426.db2.gz BFARGOHDCCFMIM-UHFFFAOYSA-N -1 1 371.484 2.394 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000047992461 540338798 /nfs/dbraw/zinc/33/87/98/540338798.db2.gz UIHQQBJKBMEMKF-UHFFFAOYSA-N -1 1 353.465 2.465 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)c(C)c1 ZINC000050533676 540407419 /nfs/dbraw/zinc/40/74/19/540407419.db2.gz GHPOATSBHIDBFI-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000050603860 540409013 /nfs/dbraw/zinc/40/90/13/540409013.db2.gz QIBUVSIJJPUHCX-UHFFFAOYSA-N -1 1 370.287 2.196 20 0 FEADMM CCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000055217982 540636893 /nfs/dbraw/zinc/63/68/93/540636893.db2.gz WJFPGBBZZFVGIJ-UHFFFAOYSA-N -1 1 359.662 2.451 20 0 FEADMM COc1cc(NC(=O)CCc2nccs2)ccc1[N-]S(C)(=O)=O ZINC000055224392 540637556 /nfs/dbraw/zinc/63/75/56/540637556.db2.gz DLDGMHOGJJADCB-UHFFFAOYSA-N -1 1 355.441 2.095 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000055594559 540662355 /nfs/dbraw/zinc/66/23/55/540662355.db2.gz PUWFQZHXBGEDBX-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000055638696 540667165 /nfs/dbraw/zinc/66/71/65/540667165.db2.gz NBPMPVGIMVPWNY-UHFFFAOYSA-N -1 1 374.422 2.396 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NCCCc2nnc3n2CCCC3)[n-]n1 ZINC000537190537 540698427 /nfs/dbraw/zinc/69/84/27/540698427.db2.gz LGVHWRXYYRDFDJ-UHFFFAOYSA-N -1 1 369.473 2.122 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@H](C)c1cccc(OC)c1 ZINC000057338296 540790561 /nfs/dbraw/zinc/79/05/61/540790561.db2.gz QTKNFCLZUNFHMO-GFCCVEGCSA-N -1 1 366.439 2.420 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cc(C(N)=O)ccc2C)c1 ZINC000058283889 540837690 /nfs/dbraw/zinc/83/76/90/540837690.db2.gz LPTJSWZIPQFNPR-UHFFFAOYSA-N -1 1 361.423 2.026 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000063450599 541168707 /nfs/dbraw/zinc/16/87/07/541168707.db2.gz MSTCETASURSBTR-UHFFFAOYSA-N -1 1 374.404 2.010 20 0 FEADMM CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000063465676 541168784 /nfs/dbraw/zinc/16/87/84/541168784.db2.gz ZORILUYMJSZWQZ-UHFFFAOYSA-N -1 1 362.426 2.338 20 0 FEADMM CCCCc1nnc([N-]C(=O)c2sc(S(N)(=O)=O)cc2C)s1 ZINC000063876763 541190945 /nfs/dbraw/zinc/19/09/45/541190945.db2.gz XHIUMRDXMSDTKC-UHFFFAOYSA-N -1 1 360.486 2.150 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3c(s2)CCCCCC3)n1 ZINC000064348060 541202671 /nfs/dbraw/zinc/20/26/71/541202671.db2.gz FETDWHFKIAGBJK-UHFFFAOYSA-N -1 1 354.457 2.181 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2cc3c(s2)CCCCCC3)[n-]1 ZINC000064348060 541202673 /nfs/dbraw/zinc/20/26/73/541202673.db2.gz FETDWHFKIAGBJK-UHFFFAOYSA-N -1 1 354.457 2.181 20 0 FEADMM O=C(CCNC(=O)c1ccc(Br)cc1[O-])Nc1ccccn1 ZINC000066046021 541279124 /nfs/dbraw/zinc/27/91/24/541279124.db2.gz PIGVJDAYHBRDKU-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM CN(CCc1ccccn1)C(=O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000066491617 541327585 /nfs/dbraw/zinc/32/75/85/541327585.db2.gz CFDGSNTVYZNIDF-UHFFFAOYSA-N -1 1 363.417 2.371 20 0 FEADMM CC(C)n1c(CNC(=O)CCCNC(=O)c2ccccc2)n[n-]c1=S ZINC000066639516 541352153 /nfs/dbraw/zinc/35/21/53/541352153.db2.gz PWFZGTBWLNZKTQ-UHFFFAOYSA-N -1 1 361.471 2.348 20 0 FEADMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1sccc1Br ZINC000066937868 541397016 /nfs/dbraw/zinc/39/70/16/541397016.db2.gz TXTAHRBGNBZXOJ-UHFFFAOYSA-N -1 1 356.263 2.131 20 0 FEADMM CC(C)(C)C(=O)N1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000067015240 541407220 /nfs/dbraw/zinc/40/72/20/541407220.db2.gz VYDYGVDMXINLCU-UHFFFAOYSA-N -1 1 356.426 2.056 20 0 FEADMM CSc1nccn1-c1ccc(C(=O)NCCc2n[n-]c(=S)n2C)cc1 ZINC000067050902 541410985 /nfs/dbraw/zinc/41/09/85/541410985.db2.gz YAIFXCMXDFMNBQ-UHFFFAOYSA-N -1 1 374.495 2.358 20 0 FEADMM CCn1c(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)n[n-]c1=S ZINC000067050524 541411101 /nfs/dbraw/zinc/41/11/01/541411101.db2.gz GQSPFHBELCMDFB-UHFFFAOYSA-N -1 1 364.446 2.464 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000067070476 541412888 /nfs/dbraw/zinc/41/28/88/541412888.db2.gz LGJVLRIFLCRRGP-ZDUSSCGKSA-N -1 1 361.402 2.224 20 0 FEADMM Cc1ccc(N2CC[C@@H](C(=O)NCc3n[n-]c(=S)n3C3CC3)C2=O)cc1 ZINC000067070729 541413136 /nfs/dbraw/zinc/41/31/36/541413136.db2.gz SWKHEITYVMWUGP-AWEZNQCLSA-N -1 1 371.466 2.253 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCN(c2nccs2)CC1 ZINC000068258681 541569095 /nfs/dbraw/zinc/56/90/95/541569095.db2.gz OSNOUFPRMHRYME-UHFFFAOYSA-N -1 1 355.423 2.144 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC000068452682 541594297 /nfs/dbraw/zinc/59/42/97/541594297.db2.gz OHDQQPNBNGZESW-TZMCWYRMSA-N -1 1 368.503 2.251 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000068428364 541590564 /nfs/dbraw/zinc/59/05/64/541590564.db2.gz QWIROVGCROKCHL-UHFFFAOYSA-N -1 1 369.454 2.078 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1Cl ZINC000069647069 541702037 /nfs/dbraw/zinc/70/20/37/541702037.db2.gz GPWZSCIOQGZLCA-UHFFFAOYSA-N -1 1 352.799 2.393 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@H]2CC(C)C)c(=O)[n-]1 ZINC000071044653 541761105 /nfs/dbraw/zinc/76/11/05/541761105.db2.gz FVFIPJZEXCBTON-CYBMUJFWSA-N -1 1 353.488 2.006 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000022409530 204778370 /nfs/dbraw/zinc/77/83/70/204778370.db2.gz YRLLHPLLBPJAHX-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c(F)cc1F ZINC000551113692 674124930 /nfs/dbraw/zinc/12/49/30/674124930.db2.gz GZECQRXNVBLYMH-UHFFFAOYSA-N -1 1 370.352 2.499 20 0 FEADMM Cc1cc2ccccc2n1CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000074162320 542044983 /nfs/dbraw/zinc/04/49/83/542044983.db2.gz LTEQSXNHIUMAAP-UHFFFAOYSA-N -1 1 363.421 2.219 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(F)c1F ZINC000075941178 542216832 /nfs/dbraw/zinc/21/68/32/542216832.db2.gz ARYHCKOJDUEJAQ-SECBINFHSA-N -1 1 358.332 2.127 20 0 FEADMM CC1N=NC(=S)N1CCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000801625457 674140767 /nfs/dbraw/zinc/14/07/67/674140767.db2.gz UGQLHDYFUKPAQZ-UHFFFAOYSA-N -1 1 363.830 2.212 20 0 FEADMM Cc1n[nH]c(=O)c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000076466190 542282461 /nfs/dbraw/zinc/28/24/61/542282461.db2.gz OLTMOKDRUWXXMX-UHFFFAOYSA-N -1 1 355.394 2.240 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccc(OC)c2)o1 ZINC000078670896 542475043 /nfs/dbraw/zinc/47/50/43/542475043.db2.gz JGJXKLBNJNDRMD-AWEZNQCLSA-N -1 1 364.423 2.174 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000080001981 542557561 /nfs/dbraw/zinc/55/75/61/542557561.db2.gz AWFTYUBCZJVMRZ-UHFFFAOYSA-N -1 1 366.414 2.148 20 0 FEADMM CCC[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000091052256 542792451 /nfs/dbraw/zinc/79/24/51/542792451.db2.gz IYSBVNHYCXIHOJ-MRVPVSSYSA-N -1 1 356.263 2.131 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000091699451 542820635 /nfs/dbraw/zinc/82/06/35/542820635.db2.gz JKFSFQCLDQUWHW-MFKMUULPSA-N -1 1 367.243 2.286 20 0 FEADMM COCCn1ccc2ccc(NC(=O)NCc3n[n-]c(=S)n3C)cc21 ZINC000092838451 542890694 /nfs/dbraw/zinc/89/06/94/542890694.db2.gz PMECAXPMKXDZNW-UHFFFAOYSA-N -1 1 360.443 2.400 20 0 FEADMM O=C(CN1CCC[C@@H](c2nnc3ccccn32)C1)[N-]OCc1ccccc1 ZINC000093175029 542915412 /nfs/dbraw/zinc/91/54/12/542915412.db2.gz LJVMQNVFKXDVOG-QGZVFWFLSA-N -1 1 365.437 2.157 20 0 FEADMM C[C@H](CO)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000093244852 542920414 /nfs/dbraw/zinc/92/04/14/542920414.db2.gz LTUZTPSYFZIKIR-SNVBAGLBSA-N -1 1 364.348 2.376 20 0 FEADMM CC[C@@H](CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000104021731 543120097 /nfs/dbraw/zinc/12/00/97/543120097.db2.gz PWSKGDPLISAMQX-HNNXBMFYSA-N -1 1 352.438 2.492 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)Cc1ccccc1F ZINC000104147995 543124726 /nfs/dbraw/zinc/12/47/26/543124726.db2.gz RSQYURANWSRSDG-LLVKDONJSA-N -1 1 356.401 2.068 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc2ncsc2c1 ZINC000104850535 543147263 /nfs/dbraw/zinc/14/72/63/543147263.db2.gz SBPKCZUWBDZNPH-UHFFFAOYSA-N -1 1 353.407 2.430 20 0 FEADMM O=C(Nc1nn[n-]n1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000106907759 543254794 /nfs/dbraw/zinc/25/47/94/543254794.db2.gz ZJQIOXWTRBOKMM-UHFFFAOYSA-N -1 1 364.196 2.433 20 0 FEADMM Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000106923167 543256234 /nfs/dbraw/zinc/25/62/34/543256234.db2.gz TVJHTWKSADNNIC-LBPRGKRZSA-N -1 1 373.482 2.475 20 0 FEADMM CCC(C)(C)NC(=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108593050 543296646 /nfs/dbraw/zinc/29/66/46/543296646.db2.gz YKUMIHABFBSUCL-UHFFFAOYSA-N -1 1 356.492 2.006 20 0 FEADMM COC(=O)[C@@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)C(C)C ZINC000109891859 543343447 /nfs/dbraw/zinc/34/34/47/543343447.db2.gz JCCCNVWSNBIDRM-LBPRGKRZSA-N -1 1 368.484 2.373 20 0 FEADMM O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cncc([O-])c1 ZINC000111584767 543407456 /nfs/dbraw/zinc/40/74/56/543407456.db2.gz CIGAKXPFVUQXRT-QGZVFWFLSA-N -1 1 361.829 2.244 20 0 FEADMM CN(CC(=O)Nc1ccc([O-])c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000111667063 543411241 /nfs/dbraw/zinc/41/12/41/543411241.db2.gz RTMWBOKBUYLJHA-UHFFFAOYSA-N -1 1 354.815 2.305 20 0 FEADMM O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cncc([O-])c1 ZINC000113991867 543500685 /nfs/dbraw/zinc/50/06/85/543500685.db2.gz CPONPBYCQRWDJC-AWEZNQCLSA-N -1 1 365.311 2.341 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1C(=O)N(C)C ZINC000115311943 543559543 /nfs/dbraw/zinc/55/95/43/543559543.db2.gz XNEIXJQEYYDLDO-UHFFFAOYSA-N -1 1 370.377 2.476 20 0 FEADMM O=S(=O)([N-]CCc1nnc2n1CCC2)c1cc(Cl)sc1Cl ZINC000552030161 674183405 /nfs/dbraw/zinc/18/34/05/674183405.db2.gz XQOWAWVOXKEDJZ-UHFFFAOYSA-N -1 1 367.283 2.114 20 0 FEADMM CCC[C@H](NC(=O)c1cc(OC)c(Br)s1)c1nn[n-]n1 ZINC000122728053 543720119 /nfs/dbraw/zinc/72/01/19/543720119.db2.gz KEPDGVOWVRBUCY-LURJTMIESA-N -1 1 360.237 2.304 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CCO)cc2)cc1 ZINC000123576825 543769920 /nfs/dbraw/zinc/76/99/20/543769920.db2.gz CHXLRPCXNQPKHA-AWEZNQCLSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(C)(C)Oc2ccccc21 ZINC000124453809 543822755 /nfs/dbraw/zinc/82/27/55/543822755.db2.gz IFHYPAOWPJMVNE-UHFFFAOYSA-N -1 1 366.421 2.386 20 0 FEADMM C[C@H](CN(C)C(=O)C=Cc1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000123987334 543794641 /nfs/dbraw/zinc/79/46/41/543794641.db2.gz AFNQRFLZGJBLFD-QROSGCPLSA-N -1 1 355.320 2.374 20 0 FEADMM C[C@@H](CN(C)C(=O)C=Cc1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000123987106 543794786 /nfs/dbraw/zinc/79/47/86/543794786.db2.gz AFNQRFLZGJBLFD-JARNTUPDSA-N -1 1 355.320 2.374 20 0 FEADMM O=S(=O)(CCCc1nc(-c2cccs2)no1)c1n[n-]c(C2CC2)n1 ZINC000127219657 543978889 /nfs/dbraw/zinc/97/88/89/543978889.db2.gz RYAKVMBQXQCYBW-UHFFFAOYSA-N -1 1 365.440 2.200 20 0 FEADMM Cc1nc(-c2ccc(N[C@H](CO)Cc3ccccc3)nc2)[n-]c(=O)c1C ZINC000127845046 544016926 /nfs/dbraw/zinc/01/69/26/544016926.db2.gz KCWYISOPYXJHDF-KRWDZBQOSA-N -1 1 350.422 2.464 20 0 FEADMM CCCC[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000128789361 544073209 /nfs/dbraw/zinc/07/32/09/544073209.db2.gz INVBHXLKEVWMPO-LBPRGKRZSA-N -1 1 360.476 2.291 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)co1 ZINC000129264731 544101090 /nfs/dbraw/zinc/10/10/90/544101090.db2.gz FSGQVACSZHNSPC-UHFFFAOYSA-N -1 1 352.412 2.443 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H](O)Cc1ccccc1 ZINC000129225025 544098731 /nfs/dbraw/zinc/09/87/31/544098731.db2.gz HJLIOCWICWBWNN-BMIGLBTASA-N -1 1 359.369 2.374 20 0 FEADMM O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129481934 544114934 /nfs/dbraw/zinc/11/49/34/544114934.db2.gz OXDJLLVQIWGTHM-SECBINFHSA-N -1 1 372.376 2.112 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc(F)c(F)c(F)c3)ccc21 ZINC000130448302 544151710 /nfs/dbraw/zinc/15/17/10/544151710.db2.gz BFHSSCIGSWNVMA-UHFFFAOYSA-N -1 1 356.325 2.424 20 0 FEADMM O=C([N-]c1nc2ccccn2n1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000132809088 544244524 /nfs/dbraw/zinc/24/45/24/544244524.db2.gz QDMCEQCXXLMWDB-UHFFFAOYSA-N -1 1 363.333 2.408 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)co1 ZINC000132066966 544217344 /nfs/dbraw/zinc/21/73/44/544217344.db2.gz IMQNLYJTZFZHTQ-SECBINFHSA-N -1 1 371.484 2.433 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCCOC2CCCCC2)co1 ZINC000133636764 544278187 /nfs/dbraw/zinc/27/81/87/544278187.db2.gz JQNRRTPHKXQPHA-UHFFFAOYSA-N -1 1 372.487 2.437 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CCN1CC(F)F ZINC000133653636 544278438 /nfs/dbraw/zinc/27/84/38/544278438.db2.gz OSCANSCQRQAILT-GFCCVEGCSA-N -1 1 364.396 2.445 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CCN1CC(F)F ZINC000133653636 544278439 /nfs/dbraw/zinc/27/84/39/544278439.db2.gz OSCANSCQRQAILT-GFCCVEGCSA-N -1 1 364.396 2.445 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(-c3ccc(C)o3)c2C)co1 ZINC000133951277 544288804 /nfs/dbraw/zinc/28/88/04/544288804.db2.gz JIYRXNZWLWVAKB-UHFFFAOYSA-N -1 1 364.383 2.040 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000135317401 544342247 /nfs/dbraw/zinc/34/22/47/544342247.db2.gz MAANIIURAUEDGL-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM CCC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000135962622 544364276 /nfs/dbraw/zinc/36/42/76/544364276.db2.gz XDHLLWRNCDBATP-ZDUSSCGKSA-N -1 1 351.472 2.093 20 0 FEADMM CCC1(CC)[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C[C@@H]1OC ZINC000151936183 544597245 /nfs/dbraw/zinc/59/72/45/544597245.db2.gz SKSOLTIXPKORKO-KGLIPLIRSA-N -1 1 367.515 2.443 20 0 FEADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000152591082 544671852 /nfs/dbraw/zinc/67/18/52/544671852.db2.gz BSIGALBHRRXYSN-UHFFFAOYSA-N -1 1 350.787 2.116 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1nc(C2CC2)no1 ZINC000152644934 544678321 /nfs/dbraw/zinc/67/83/21/544678321.db2.gz SLIJIKSCPXCCLR-ZDUSSCGKSA-N -1 1 353.448 2.400 20 0 FEADMM O=S(=O)(Cc1ncc(-c2ccccc2Br)o1)c1ncn[n-]1 ZINC000153039006 544726007 /nfs/dbraw/zinc/72/60/07/544726007.db2.gz WSQYXWVLQCEQTC-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM O=S(=O)(Cc1ncc(-c2ccccc2Br)o1)c1nc[n-]n1 ZINC000153039006 544726011 /nfs/dbraw/zinc/72/60/11/544726011.db2.gz WSQYXWVLQCEQTC-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ncon1 ZINC000154516165 544916028 /nfs/dbraw/zinc/91/60/28/544916028.db2.gz AWXCMMLHWLNROR-LBPRGKRZSA-N -1 1 372.406 2.361 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2NC2CC2)co1 ZINC000154583492 544924154 /nfs/dbraw/zinc/92/41/54/544924154.db2.gz 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CC[C@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C[C@H](C)O1 ZINC000111025839 325699432 /nfs/dbraw/zinc/69/94/32/325699432.db2.gz SSXSYVVSYCNPGG-BBRMVZONSA-N -1 1 370.453 2.099 20 0 FEADMM O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000111667436 325729921 /nfs/dbraw/zinc/72/99/21/325729921.db2.gz LXVXOJNPECULCI-UHFFFAOYSA-N -1 1 354.815 2.353 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4cc[nH]n4)cc3)cc21 ZINC000116159241 325996111 /nfs/dbraw/zinc/99/61/11/325996111.db2.gz QBOBTMZUVSEPOQ-UHFFFAOYSA-N -1 1 368.418 2.163 20 0 FEADMM CC[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1nc2ccccc2[nH]1 ZINC000119210997 326137834 /nfs/dbraw/zinc/13/78/34/326137834.db2.gz OQHAEWBHQHHWAW-LBPRGKRZSA-N -1 1 350.382 2.431 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000119286112 326145610 /nfs/dbraw/zinc/14/56/10/326145610.db2.gz LPBVBRFJMNSARQ-BZNIZROVSA-N -1 1 370.384 2.415 20 0 FEADMM CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119286854 326145680 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C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000120837723 326292013 /nfs/dbraw/zinc/29/20/13/326292013.db2.gz VSMVMRMVYQGPQF-GJZGRUSLSA-N -1 1 362.451 2.329 20 0 FEADMM O=C(NCc1ccccc1OCCN1CCOCC1)c1c([O-])cccc1F ZINC000121201878 326321397 /nfs/dbraw/zinc/32/13/97/326321397.db2.gz KRWGIIGOULLFOV-UHFFFAOYSA-N -1 1 374.412 2.172 20 0 FEADMM Cc1sc(=O)n(CC(=O)Nc2nc(Br)ccc2[O-])c1C ZINC000121539609 326346474 /nfs/dbraw/zinc/34/64/74/326346474.db2.gz WSLXGVPRIIEVLI-UHFFFAOYSA-N -1 1 358.217 2.028 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1 ZINC000122212253 326388330 /nfs/dbraw/zinc/38/83/30/326388330.db2.gz XFVCPTAEHDTBTQ-UHFFFAOYSA-N -1 1 371.422 2.086 20 0 FEADMM CCOc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cn1 ZINC000124288929 326451098 /nfs/dbraw/zinc/45/10/98/326451098.db2.gz UDRORKCUEVYMIH-UHFFFAOYSA-N -1 1 365.393 2.115 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](O)Cc1ccccc1 ZINC000129226546 326536688 /nfs/dbraw/zinc/53/66/88/326536688.db2.gz JYMIODNRPVETGF-GWCFXTLKSA-N -1 1 359.369 2.374 20 0 FEADMM O=C(CCc1ccccc1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130514969 326558390 /nfs/dbraw/zinc/55/83/90/326558390.db2.gz RNFGRGMEQVQOJK-UHFFFAOYSA-N -1 1 360.435 2.404 20 0 FEADMM O=S(=O)(CC[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000134043738 326618930 /nfs/dbraw/zinc/61/89/30/326618930.db2.gz HWDMLWPRRIOXCZ-UHFFFAOYSA-N -1 1 365.432 2.185 20 0 FEADMM O=C(Nc1cnn(-c2ncccn2)c1)c1cc(Br)ccc1[O-] ZINC000151870316 326693194 /nfs/dbraw/zinc/69/31/94/326693194.db2.gz XOINAZWHLDWONJ-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)o1 ZINC000153227456 326727459 /nfs/dbraw/zinc/72/74/59/326727459.db2.gz HRNNXSYTPZBAAB-CYBMUJFWSA-N -1 1 352.387 2.134 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)c1 ZINC000153561002 326736074 /nfs/dbraw/zinc/73/60/74/326736074.db2.gz NXZXSQQSPYISLU-LBPRGKRZSA-N -1 1 356.425 2.261 20 0 FEADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cc(F)ccc1[O-] ZINC000153584504 326736959 /nfs/dbraw/zinc/73/69/59/326736959.db2.gz FGSGLDPZQUHHPC-ZDUSSCGKSA-N -1 1 350.296 2.345 20 0 FEADMM COc1cccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000154624339 326764828 /nfs/dbraw/zinc/76/48/28/326764828.db2.gz IVZHLNKTYREPTI-UHFFFAOYSA-N -1 1 358.369 2.138 20 0 FEADMM CC[C@H](CCO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000154698789 326766715 /nfs/dbraw/zinc/76/67/15/326766715.db2.gz RLDQQHWUDCVDOJ-OAHLLOKOSA-N -1 1 362.451 2.378 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1C(N)=O ZINC000157887220 326878456 /nfs/dbraw/zinc/87/84/56/326878456.db2.gz XHOJLBWFOZXFQG-UHFFFAOYSA-N -1 1 351.428 2.102 20 0 FEADMM O=C(c1csc(Cc2cccc(F)c2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000162133829 327017877 /nfs/dbraw/zinc/01/78/77/327017877.db2.gz KGIMQQYOWPGFID-GFCCVEGCSA-N -1 1 372.429 2.406 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)co1 ZINC000162729691 327033061 /nfs/dbraw/zinc/03/30/61/327033061.db2.gz VICPOQFLIDYUEB-MRXNPFEDSA-N -1 1 364.423 2.077 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000164807332 327074297 /nfs/dbraw/zinc/07/42/97/327074297.db2.gz JBFSPKQNKWMVFC-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)CCc2ccccc2)o1 ZINC000171032544 327113528 /nfs/dbraw/zinc/11/35/28/327113528.db2.gz OLCGWFVSFCEAJQ-UHFFFAOYSA-N -1 1 350.440 2.329 20 0 FEADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000172275238 327192144 /nfs/dbraw/zinc/19/21/44/327192144.db2.gz KRPPHGAGZCLNFF-UHFFFAOYSA-N -1 1 360.435 2.399 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1 ZINC000172881898 327224641 /nfs/dbraw/zinc/22/46/41/327224641.db2.gz QNGUSTDGECVARW-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc(C)c1F ZINC000172892135 327225027 /nfs/dbraw/zinc/22/50/27/327225027.db2.gz QWNFDRCSUPIYIF-UHFFFAOYSA-N -1 1 352.387 2.174 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C12CCCCC2 ZINC000173064787 327233225 /nfs/dbraw/zinc/23/32/25/327233225.db2.gz XAMOFZLVHJJFQG-UONOGXRCSA-N -1 1 370.471 2.045 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc([S@@](C)=O)cc2)c(=O)[n-]1 ZINC000173097927 327235057 /nfs/dbraw/zinc/23/50/57/327235057.db2.gz DMBVMDURNJAULF-XMMPIXPASA-N -1 1 365.480 2.109 20 0 FEADMM CSC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCOCC1 ZINC000173569506 327267494 /nfs/dbraw/zinc/26/74/94/327267494.db2.gz ICVZSXQIPLIVCP-UHFFFAOYSA-N -1 1 355.403 2.294 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1cccc(Cl)c1 ZINC000173986948 327299567 /nfs/dbraw/zinc/29/95/67/327299567.db2.gz VVGOWEQBCLNTDS-LLVKDONJSA-N -1 1 364.254 2.393 20 0 FEADMM CCc1nnnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000174258317 327315828 /nfs/dbraw/zinc/31/58/28/327315828.db2.gz QLFCTNRKCIKLCF-UHFFFAOYSA-N -1 1 359.411 2.034 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000175142252 327376429 /nfs/dbraw/zinc/37/64/29/327376429.db2.gz MQFXWXNTWNHMOV-UHFFFAOYSA-N -1 1 369.425 2.372 20 0 FEADMM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000175643758 327404099 /nfs/dbraw/zinc/40/40/99/327404099.db2.gz HBRSWMQAQWDYQO-ZPMVXHMNSA-N -1 1 351.440 2.323 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000178355251 327580017 /nfs/dbraw/zinc/58/00/17/327580017.db2.gz JBQZUMSWKKZGIY-KXBFYZLASA-N -1 1 360.458 2.042 20 0 FEADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000178621962 327596378 /nfs/dbraw/zinc/59/63/78/327596378.db2.gz GWHXBOGDROCXTB-UHFFFAOYSA-N -1 1 367.409 2.267 20 0 FEADMM CCC[C@H](N[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000262328491 328859392 /nfs/dbraw/zinc/85/93/92/328859392.db2.gz XOGUDBJTZUQUNF-WFASDCNBSA-N -1 1 356.850 2.409 20 0 FEADMM O=C([O-])C1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000262645221 328878564 /nfs/dbraw/zinc/87/85/64/328878564.db2.gz JYEGQIIRJPUKNP-UHFFFAOYSA-N -1 1 362.323 2.257 20 0 FEADMM CC(C)C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC000263546886 328946548 /nfs/dbraw/zinc/94/65/48/328946548.db2.gz HQUIOUGSSRLUKA-SECBINFHSA-N -1 1 355.334 2.189 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000264336663 329011709 /nfs/dbraw/zinc/01/17/09/329011709.db2.gz AYNHIPMWUXGRKP-UHFFFAOYSA-N -1 1 364.449 2.418 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(S(C)(=O)=O)c3)ccc2O1 ZINC000264342060 329012189 /nfs/dbraw/zinc/01/21/89/329012189.db2.gz YRUGWSUFRKVQJU-LLVKDONJSA-N -1 1 367.448 2.214 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)o1 ZINC000264614388 329040921 /nfs/dbraw/zinc/04/09/21/329040921.db2.gz QHJXFUZRPYKKJS-LBPRGKRZSA-N -1 1 369.399 2.002 20 0 FEADMM CCOC[C@@H]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000265054768 329086469 /nfs/dbraw/zinc/08/64/69/329086469.db2.gz NEILULDFZAZTKA-OAHLLOKOSA-N -1 1 370.453 2.370 20 0 FEADMM CCN(CC)c1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cn1 ZINC000266865422 329266915 /nfs/dbraw/zinc/26/69/15/329266915.db2.gz VYEVIZVBJHEFRR-UHFFFAOYSA-N -1 1 368.397 2.238 20 0 FEADMM CCOC(=O)N[C@@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000266948286 329275832 /nfs/dbraw/zinc/27/58/32/329275832.db2.gz DHDHOBBQJPJSCO-GFCCVEGCSA-N -1 1 364.446 2.139 20 0 FEADMM COc1cccc(N2CC[C@H](NC(=O)c3c(C)[n-]c(=O)nc3SC)C2)c1 ZINC000267071912 329289047 /nfs/dbraw/zinc/28/90/47/329289047.db2.gz ZBUQRTDHOVTALQ-LBPRGKRZSA-N -1 1 374.466 2.230 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(CCCc2ccccc2)no1 ZINC000267139176 329295804 /nfs/dbraw/zinc/29/58/04/329295804.db2.gz XKJZPRHDFYMJKH-UHFFFAOYSA-N -1 1 367.471 2.089 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000267151956 329297104 /nfs/dbraw/zinc/29/71/04/329297104.db2.gz NPSICKUKLRPUSF-UHFFFAOYSA-N -1 1 361.402 2.200 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000267169789 329298691 /nfs/dbraw/zinc/29/86/91/329298691.db2.gz UHKHHSSPCGQHIX-QWHCGFSZSA-N -1 1 362.474 2.165 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000267206584 329302525 /nfs/dbraw/zinc/30/25/25/329302525.db2.gz SSUVZMJWVBEIFL-YPMHNXCESA-N -1 1 371.459 2.098 20 0 FEADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cn(C)cn3)n2)cc1 ZINC000268516605 329429848 /nfs/dbraw/zinc/42/98/48/329429848.db2.gz SVZXXBROUIKXDI-NSHDSACASA-N -1 1 361.427 2.072 20 0 FEADMM CC[C@@H](SC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000269610317 329534072 /nfs/dbraw/zinc/53/40/72/329534072.db2.gz PELUDMKIBPTIGJ-CQSZACIVSA-N -1 1 358.485 2.257 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCC2)c1 ZINC000269890983 329557915 /nfs/dbraw/zinc/55/79/15/329557915.db2.gz BNCHOFXWNYARQN-UHFFFAOYSA-N -1 1 356.425 2.189 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CCOC(C)(C)C2)cc1[N-]S(C)(=O)=O ZINC000269967773 329564501 /nfs/dbraw/zinc/56/45/01/329564501.db2.gz UZRSJKOAZWFKNA-LBPRGKRZSA-N -1 1 371.459 2.146 20 0 FEADMM CCC[C@@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000270695667 329623126 /nfs/dbraw/zinc/62/31/26/329623126.db2.gz VIBNRKFKRPRWSS-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM C[C@H](CCO)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271426446 329692919 /nfs/dbraw/zinc/69/29/19/329692919.db2.gz PNRACNLHRHWVGO-SECBINFHSA-N -1 1 364.320 2.251 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[C@@H]2CCO[C@@H]21 ZINC000272183840 329758501 /nfs/dbraw/zinc/75/85/01/329758501.db2.gz JNHRAXKQHHBGBU-XROYCOCOSA-N -1 1 351.255 2.480 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cn2)c1 ZINC000273047761 329832708 /nfs/dbraw/zinc/83/27/08/329832708.db2.gz JWZSGZRCYVZEFX-UHFFFAOYSA-N -1 1 367.402 2.209 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273346028 329857450 /nfs/dbraw/zinc/85/74/50/329857450.db2.gz BGRJWZCXJAWJBI-XLIONFOSSA-N -1 1 368.437 2.169 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCNC(=O)OC(C)(C)C)no2)c1 ZINC000273742803 329888081 /nfs/dbraw/zinc/88/80/81/329888081.db2.gz QNAZXDXUDGMPJS-UHFFFAOYSA-N -1 1 362.386 2.468 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2COC3(CCOCC3)O2)cc(Cl)c1[O-] ZINC000273863900 329898313 /nfs/dbraw/zinc/89/83/13/329898313.db2.gz OMLGKEMUVZSXFV-LBPRGKRZSA-N -1 1 371.817 2.096 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000273981660 329906950 /nfs/dbraw/zinc/90/69/50/329906950.db2.gz UUZDRCVJRPWGEV-NXEZZACHSA-N -1 1 361.847 2.092 20 0 FEADMM COC(=O)CC1(CNC(=O)c2c(C)[n-]c(=O)nc2SC)CCCCC1 ZINC000274669306 329969471 /nfs/dbraw/zinc/96/94/71/329969471.db2.gz HTNHEONLSZYXMY-UHFFFAOYSA-N -1 1 367.471 2.456 20 0 FEADMM CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275051073 330005528 /nfs/dbraw/zinc/00/55/28/330005528.db2.gz WZQTZCXSZMLSEH-WMLDXEAASA-N -1 1 368.499 2.418 20 0 FEADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000275365391 330040119 /nfs/dbraw/zinc/04/01/19/330040119.db2.gz UPJZPTQOXPRMCI-SNVBAGLBSA-N -1 1 373.450 2.077 20 0 FEADMM CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(O)cc3[O-])c2)CC1 ZINC000275555859 330063140 /nfs/dbraw/zinc/06/31/40/330063140.db2.gz MFYYSFQUOLZBBR-UHFFFAOYSA-N -1 1 369.421 2.014 20 0 FEADMM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000275770413 330086946 /nfs/dbraw/zinc/08/69/46/330086946.db2.gz DNSCYCPJPTXDOL-MRVPVSSYSA-N -1 1 356.220 2.183 20 0 FEADMM CO[C@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC[C@H]1C ZINC000275850227 330096285 /nfs/dbraw/zinc/09/62/85/330096285.db2.gz BBYRDAXDGNVCKX-DYVFJYSZSA-N -1 1 370.453 2.369 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000294190802 330191441 /nfs/dbraw/zinc/19/14/41/330191441.db2.gz ODVQSLLIEKJXKE-MRXNPFEDSA-N -1 1 368.437 2.001 20 0 FEADMM Cc1nccnc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000367028451 330208700 /nfs/dbraw/zinc/20/87/00/330208700.db2.gz FNAVTIKKNXAOMU-UHFFFAOYSA-N -1 1 366.343 2.472 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]c2ncccc2N2CCOCC2)cc1F ZINC000367061555 330212407 /nfs/dbraw/zinc/21/24/07/330212407.db2.gz HGYQJFBFJOPNJO-UHFFFAOYSA-N -1 1 365.430 2.308 20 0 FEADMM CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc2O1 ZINC000367114782 330218399 /nfs/dbraw/zinc/21/83/99/330218399.db2.gz QFRWKCZJSBNBIE-SFHVURJKSA-N -1 1 369.421 2.500 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)C2CCCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805127609 674321158 /nfs/dbraw/zinc/32/11/58/674321158.db2.gz QEHREWPHKXPEPV-GVXVVHGQSA-N -1 1 370.437 2.426 20 0 FEADMM O=C(COC(=O)c1cn[n-]n1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000805603949 674347168 /nfs/dbraw/zinc/34/71/68/674347168.db2.gz YMTUUCGOQCQUEK-UHFFFAOYSA-N -1 1 360.757 2.191 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1 ZINC000555427003 674361226 /nfs/dbraw/zinc/36/12/26/674361226.db2.gz NEHRAJDJPLWPDQ-UHFFFAOYSA-N -1 1 361.423 2.419 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)o1 ZINC000806007883 674363403 /nfs/dbraw/zinc/36/34/03/674363403.db2.gz MMEDGMVVRUBXAN-LLVKDONJSA-N -1 1 373.333 2.147 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@H]1n1cccn1 ZINC000555474573 674363450 /nfs/dbraw/zinc/36/34/50/674363450.db2.gz XHXALMGCYKIIES-BFHYXJOUSA-N -1 1 373.837 2.373 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)co1 ZINC000155415212 545523329 /nfs/dbraw/zinc/52/33/29/545523329.db2.gz FKIGODHSUXAJEQ-UHFFFAOYSA-N -1 1 361.379 2.459 20 0 FEADMM O=C(Cc1cc(F)ccc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155613159 545549071 /nfs/dbraw/zinc/54/90/71/545549071.db2.gz DXQDDIAJIIYQMZ-SECBINFHSA-N -1 1 368.210 2.050 20 0 FEADMM CCCCCc1n[n-]c(=NC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)s1 ZINC000488852779 538770165 /nfs/dbraw/zinc/77/01/65/538770165.db2.gz CVBDVMVHUOVAIU-QWHCGFSZSA-N -1 1 355.508 2.190 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000477619001 561149592 /nfs/dbraw/zinc/14/95/92/561149592.db2.gz QUJQZNAGOYFRGH-UONOGXRCSA-N -1 1 357.410 2.428 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000478023244 561158310 /nfs/dbraw/zinc/15/83/10/561158310.db2.gz CAOKMAOJJNNYJU-ZDUSSCGKSA-N -1 1 356.426 2.121 20 0 FEADMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000158589534 545874240 /nfs/dbraw/zinc/87/42/40/545874240.db2.gz NDXZDEUVZJRHPU-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(Cl)c1 ZINC000158883733 545902477 /nfs/dbraw/zinc/90/24/77/545902477.db2.gz BKRQGYRUEXIXKH-UHFFFAOYSA-N -1 1 356.835 2.278 20 0 FEADMM CCOCCC1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000159130130 545923883 /nfs/dbraw/zinc/92/38/83/545923883.db2.gz IRKOYXHJCSGHDL-UHFFFAOYSA-N -1 1 360.458 2.307 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1cc(Br)ccc1F)c1nn[n-]n1 ZINC000478592100 561170486 /nfs/dbraw/zinc/17/04/86/561170486.db2.gz NCUMPUIEMZIFRU-VIFPVBQESA-N -1 1 370.226 2.296 20 0 FEADMM Cc1noc(CSc2ccccc2C(=O)N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000478592063 561170507 /nfs/dbraw/zinc/17/05/07/561170507.db2.gz MIRIIAQWYCRFRB-SNVBAGLBSA-N -1 1 373.442 2.059 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](OCC)C23CCC3)o1 ZINC000479206708 561184719 /nfs/dbraw/zinc/18/47/19/561184719.db2.gz HQYPVTWTVAWYOD-STQMWFEESA-N -1 1 357.428 2.082 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479245219 561185731 /nfs/dbraw/zinc/18/57/31/561185731.db2.gz CMWVIISEZVWLSF-UHFFFAOYSA-N -1 1 363.391 2.240 20 0 FEADMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1 ZINC000479264334 561186136 /nfs/dbraw/zinc/18/61/36/561186136.db2.gz CNHHLCUQNLZKLA-UHFFFAOYSA-N -1 1 362.407 2.161 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC(C)C ZINC000172726650 546266618 /nfs/dbraw/zinc/26/66/18/546266618.db2.gz IOVYGZHMYLNTJT-VIFPVBQESA-N -1 1 353.362 2.218 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3c[nH]cn3)c2)c1 ZINC000479588142 561192614 /nfs/dbraw/zinc/19/26/14/561192614.db2.gz GRGGNVZVGWTVOG-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000175645360 546327452 /nfs/dbraw/zinc/32/74/52/546327452.db2.gz WOYFZWYJPVZWHF-OABGYEMISA-N -1 1 351.440 2.323 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)ccc1[O-] ZINC000175691701 546334067 /nfs/dbraw/zinc/33/40/67/546334067.db2.gz QPMHNZUTDBWRQO-UHFFFAOYSA-N -1 1 356.350 2.454 20 0 FEADMM CCc1cnc(CN(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)s1 ZINC000175899637 546368962 /nfs/dbraw/zinc/36/89/62/546368962.db2.gz SATYVTXMWVSTNS-UHFFFAOYSA-N -1 1 366.512 2.410 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCN(C)c1ccccc1F ZINC000176083338 546404114 /nfs/dbraw/zinc/40/41/14/546404114.db2.gz QYIUESGYCGXSKL-UHFFFAOYSA-N -1 1 364.446 2.196 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000176088315 546404420 /nfs/dbraw/zinc/40/44/20/546404420.db2.gz REWRZVHYPRBDQN-GFCCVEGCSA-N -1 1 358.467 2.154 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)C12CCCC2 ZINC000176484559 546452507 /nfs/dbraw/zinc/45/25/07/546452507.db2.gz LJKCLUGVERKMDX-NWDGAFQWSA-N -1 1 351.472 2.268 20 0 FEADMM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1cc(F)ccc1F ZINC000480397313 561208459 /nfs/dbraw/zinc/20/84/59/561208459.db2.gz QOYKYPKCFRKDJP-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM CCC[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nn[n-]n1 ZINC000176772251 546485995 /nfs/dbraw/zinc/48/59/95/546485995.db2.gz OXZMZOJJHZMSRF-AWEZNQCLSA-N -1 1 369.429 2.215 20 0 FEADMM CCC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1Br)c1nn[n-]n1 ZINC000176786007 546487875 /nfs/dbraw/zinc/48/78/75/546487875.db2.gz ZCCIVDHIMMUOJR-SSDOTTSWSA-N -1 1 356.228 2.080 20 0 FEADMM CCCOC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)CCCCC1 ZINC000177393575 546608859 /nfs/dbraw/zinc/60/88/59/546608859.db2.gz DAOIKTVWAUMLCK-UHFFFAOYSA-N -1 1 358.460 2.047 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000480898066 561219791 /nfs/dbraw/zinc/21/97/91/561219791.db2.gz LXFBZGZLPCJGSZ-ZDUSSCGKSA-N -1 1 357.428 2.226 20 0 FEADMM CCS[C@@H]1CCC[C@@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000178035495 546727419 /nfs/dbraw/zinc/72/74/19/546727419.db2.gz SMNOLHWWGWYCMA-JKSUJKDBSA-N -1 1 372.494 2.473 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178273733 546768163 /nfs/dbraw/zinc/76/81/63/546768163.db2.gz UFIOUIZWNJKGHA-IYBDPMFKSA-N -1 1 352.438 2.331 20 0 FEADMM CN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1=O ZINC000481370667 561231713 /nfs/dbraw/zinc/23/17/13/561231713.db2.gz LVRHBTYZLMDUPO-JTQLQIEISA-N -1 1 370.780 2.258 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2C[C@H](C)Oc3ccccc32)ccc1[O-] ZINC000481606626 561237272 /nfs/dbraw/zinc/23/72/72/561237272.db2.gz AEFWWAJMPWBBQX-NSHDSACASA-N -1 1 362.407 2.327 20 0 FEADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000179010226 546886867 /nfs/dbraw/zinc/88/68/67/546886867.db2.gz WAJOHLDVRFHHLH-CYBMUJFWSA-N -1 1 352.799 2.041 20 0 FEADMM Cc1cnc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c(Br)c1 ZINC000179134143 546904371 /nfs/dbraw/zinc/90/43/71/546904371.db2.gz DBIVNKRYUXQZMM-UHFFFAOYSA-N -1 1 370.228 2.052 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)s1 ZINC000179618332 546986217 /nfs/dbraw/zinc/98/62/17/546986217.db2.gz LEVGILHZVZWXIC-UHFFFAOYSA-N -1 1 353.347 2.268 20 0 FEADMM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000482371378 561253153 /nfs/dbraw/zinc/25/31/53/561253153.db2.gz WVCLYLRRGADESU-QMMMGPOBSA-N -1 1 370.226 2.331 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000482396561 561253436 /nfs/dbraw/zinc/25/34/36/561253436.db2.gz BDJMMFPLKNVXNF-UHFFFAOYSA-N -1 1 365.315 2.012 20 0 FEADMM O=C(C[C@H]1COCCN1C(=O)c1cccc2nn[nH]c21)c1cccs1 ZINC000180142087 547057523 /nfs/dbraw/zinc/05/75/23/547057523.db2.gz GOQVFWKGCJGNLJ-NSHDSACASA-N -1 1 356.407 2.133 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1F ZINC000180484117 547116383 /nfs/dbraw/zinc/11/63/83/547116383.db2.gz DTBIBHUNJAXUIH-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)N(C)CC4)ccc21 ZINC000181164519 547262024 /nfs/dbraw/zinc/26/20/24/547262024.db2.gz PMAPGSSYQQTBAR-UHFFFAOYSA-N -1 1 371.462 2.389 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181668905 547357047 /nfs/dbraw/zinc/35/70/47/547357047.db2.gz WFOCSRGQMQUBRB-UHFFFAOYSA-N -1 1 370.377 2.491 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H](C)c2nc(C)cs2)c(=O)[n-]1 ZINC000182617936 547522333 /nfs/dbraw/zinc/52/23/33/547522333.db2.gz NWHTUGSFMGAWMV-VIFPVBQESA-N -1 1 366.512 2.418 20 0 FEADMM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000183414784 547654381 /nfs/dbraw/zinc/65/43/81/547654381.db2.gz AZLSLYQVUYAXJL-JTQLQIEISA-N -1 1 364.837 2.323 20 0 FEADMM CCCCn1nc(C)c(C=CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1Cl ZINC000183433325 547658107 /nfs/dbraw/zinc/65/81/07/547658107.db2.gz GOUMGUDBQPDLBW-WSKFYRRCSA-N -1 1 365.869 2.433 20 0 FEADMM CCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC000183427849 547658355 /nfs/dbraw/zinc/65/83/55/547658355.db2.gz FGARSYJMNGRMPE-NSHDSACASA-N -1 1 373.848 2.477 20 0 FEADMM CSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183450200 547662096 /nfs/dbraw/zinc/66/20/96/547662096.db2.gz CLIPAVJQXBLPAB-SECBINFHSA-N -1 1 373.442 2.156 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(N)=O)c(OC)c1 ZINC000484513458 561298835 /nfs/dbraw/zinc/29/88/35/561298835.db2.gz JXYSVGYDPIILLO-UHFFFAOYSA-N -1 1 365.411 2.133 20 0 FEADMM C[C@@H]1CN(C2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)CCO1 ZINC000183591401 547686554 /nfs/dbraw/zinc/68/65/54/547686554.db2.gz LNYFJRWAOXOQRT-SNVBAGLBSA-N -1 1 358.360 2.135 20 0 FEADMM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc(-n2cnnn2)cc1 ZINC000484686467 561303309 /nfs/dbraw/zinc/30/33/09/561303309.db2.gz BOLOWSHQXDFCDM-UHFFFAOYSA-N -1 1 367.390 2.322 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(S(C)(=O)=O)c1 ZINC000484693612 561303618 /nfs/dbraw/zinc/30/36/18/561303618.db2.gz HFOQYWSUFAOKJU-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2cc(N(C)C)nc3ccccc32)n[nH]1 ZINC000184050154 547760605 /nfs/dbraw/zinc/76/06/05/547760605.db2.gz HQDKSOFJQYKIHJ-UHFFFAOYSA-N -1 1 353.382 2.453 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)s[n-]1 ZINC000485133409 561313503 /nfs/dbraw/zinc/31/35/03/561313503.db2.gz RYTSLOARLHPUMV-UHFFFAOYSA-N -1 1 373.413 2.482 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)o1 ZINC000485250991 561315745 /nfs/dbraw/zinc/31/57/45/561315745.db2.gz ZTKXRWHTZDVZMI-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1nn(C)c2ccccc12 ZINC000185089273 547930985 /nfs/dbraw/zinc/93/09/85/547930985.db2.gz BRJPFTBUPQJVOR-UHFFFAOYSA-N -1 1 367.453 2.235 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@H](C2CC2)C1 ZINC000485482155 561320176 /nfs/dbraw/zinc/32/01/76/561320176.db2.gz RLMOJOZMGYZGRO-ZDUSSCGKSA-N -1 1 373.190 2.248 20 0 FEADMM Cc1nnc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1 ZINC000485616699 561324031 /nfs/dbraw/zinc/32/40/31/561324031.db2.gz VCGOYDZHSSXGLX-UHFFFAOYSA-N -1 1 372.406 2.360 20 0 FEADMM COc1cc(NC(=O)C[C@H](O)CC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000485657783 561325057 /nfs/dbraw/zinc/32/50/57/561325057.db2.gz BAMAHUPCIHEBNJ-LBPRGKRZSA-N -1 1 358.460 2.192 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000186579076 548154631 /nfs/dbraw/zinc/15/46/31/548154631.db2.gz JUPXDPIKMHUQQR-UHFFFAOYSA-N -1 1 374.441 2.404 20 0 FEADMM Cn1cc(CCNC(=O)c2c[n-]c3c(cnn3C)c2=O)c2ccc(F)cc21 ZINC000186587197 548155362 /nfs/dbraw/zinc/15/53/62/548155362.db2.gz SFXCJCATGHGOST-UHFFFAOYSA-N -1 1 367.384 2.277 20 0 FEADMM CCOc1cc(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc(Cl)c1[O-] ZINC000186784978 548192499 /nfs/dbraw/zinc/19/24/99/548192499.db2.gz GDIQTDQZOLHANG-NEPJUHHUSA-N -1 1 356.850 2.283 20 0 FEADMM CCOc1cc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000186863269 548208050 /nfs/dbraw/zinc/20/80/50/548208050.db2.gz AXKWWLKQRCZUOM-OLZOCXBDSA-N -1 1 352.818 2.328 20 0 FEADMM CCOc1ccc(CN2CCN(C(=O)c3cccc4nn[nH]c43)CC2)cc1 ZINC000189674465 548308138 /nfs/dbraw/zinc/30/81/38/548308138.db2.gz CIZBZPVXLWXDMI-UHFFFAOYSA-N -1 1 365.437 2.315 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)s2)cn(C)c1=O ZINC000486510836 561349447 /nfs/dbraw/zinc/34/94/47/561349447.db2.gz UAONRZFKSGDQHP-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc2ncccc2c1 ZINC000193998010 548419689 /nfs/dbraw/zinc/41/96/89/548419689.db2.gz PKUMWJYMXZTFID-UHFFFAOYSA-N -1 1 361.405 2.047 20 0 FEADMM CCN1CCN([C@@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)CC1 ZINC000194612029 548504948 /nfs/dbraw/zinc/50/49/48/548504948.db2.gz NKAATRODGFHJGM-CYBMUJFWSA-N -1 1 355.841 2.037 20 0 FEADMM CCOC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000194820858 548536496 /nfs/dbraw/zinc/53/64/96/548536496.db2.gz RQPPZGQMDAIAEQ-UHFFFAOYSA-N -1 1 373.381 2.125 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000194861241 548541867 /nfs/dbraw/zinc/54/18/67/548541867.db2.gz VYMADUUMRHZFHE-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM O=C(NCCCCO)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000194957966 548556670 /nfs/dbraw/zinc/55/66/70/548556670.db2.gz FGOLOVPTLYEYSX-UHFFFAOYSA-N -1 1 366.414 2.129 20 0 FEADMM O=S(=O)(C[C@H]1CCCCO1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195118330 548579199 /nfs/dbraw/zinc/57/91/99/548579199.db2.gz ZDOFYEFCZFJLQZ-CYBMUJFWSA-N -1 1 371.846 2.380 20 0 FEADMM O=S(=O)(C[C@H]1CCCCO1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195118330 548579203 /nfs/dbraw/zinc/57/92/03/548579203.db2.gz ZDOFYEFCZFJLQZ-CYBMUJFWSA-N -1 1 371.846 2.380 20 0 FEADMM CCCCNC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195115781 548579538 /nfs/dbraw/zinc/57/95/38/548579538.db2.gz QNMKCKKXOUINMK-JTQLQIEISA-N -1 1 370.862 2.204 20 0 FEADMM CCCCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195115781 548579541 /nfs/dbraw/zinc/57/95/41/548579541.db2.gz QNMKCKKXOUINMK-JTQLQIEISA-N -1 1 370.862 2.204 20 0 FEADMM CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195113692 548579959 /nfs/dbraw/zinc/57/99/59/548579959.db2.gz LRUYQRGKJANKJX-SNVBAGLBSA-N -1 1 370.862 2.154 20 0 FEADMM CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113692 548579964 /nfs/dbraw/zinc/57/99/64/548579964.db2.gz LRUYQRGKJANKJX-SNVBAGLBSA-N -1 1 370.862 2.154 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195127028 548581302 /nfs/dbraw/zinc/58/13/02/548581302.db2.gz WXHJZPQLSZABCS-MNOVXSKESA-N -1 1 368.434 2.078 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195127028 548581305 /nfs/dbraw/zinc/58/13/05/548581305.db2.gz WXHJZPQLSZABCS-MNOVXSKESA-N -1 1 368.434 2.078 20 0 FEADMM C[C@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195170847 548589881 /nfs/dbraw/zinc/58/98/81/548589881.db2.gz LOQZISWAMMBGTF-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195170847 548589884 /nfs/dbraw/zinc/58/98/84/548589884.db2.gz LOQZISWAMMBGTF-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195170847 548589888 /nfs/dbraw/zinc/58/98/88/548589888.db2.gz LOQZISWAMMBGTF-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195172005 548590471 /nfs/dbraw/zinc/59/04/71/548590471.db2.gz HVZYNCXSLVLKBF-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195172005 548590473 /nfs/dbraw/zinc/59/04/73/548590473.db2.gz HVZYNCXSLVLKBF-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195172005 548590479 /nfs/dbraw/zinc/59/04/79/548590479.db2.gz HVZYNCXSLVLKBF-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM CCCc1nc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)no1 ZINC000195212666 548597491 /nfs/dbraw/zinc/59/74/91/548597491.db2.gz IYXWNIUYOQYHSO-UHFFFAOYSA-N -1 1 373.438 2.270 20 0 FEADMM CCCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)no1 ZINC000195212666 548597494 /nfs/dbraw/zinc/59/74/94/548597494.db2.gz IYXWNIUYOQYHSO-UHFFFAOYSA-N -1 1 373.438 2.270 20 0 FEADMM Cc1cnc(CNC(=O)c2cc(I)ccc2[O-])o1 ZINC000225073761 548730467 /nfs/dbraw/zinc/73/04/67/548730467.db2.gz SDYQHVCVHXNOFV-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000228077268 548752911 /nfs/dbraw/zinc/75/29/11/548752911.db2.gz ORDCZCRPDWGLLO-JMCQJSRRSA-N -1 1 374.673 2.465 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1NC(N)=O ZINC000487416491 561369474 /nfs/dbraw/zinc/36/94/74/561369474.db2.gz XOGASLIBYPVKDD-UHFFFAOYSA-N -1 1 363.395 2.017 20 0 FEADMM COC[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000230895718 548761128 /nfs/dbraw/zinc/76/11/28/548761128.db2.gz OEBYOHFDNGCKLE-SECBINFHSA-N -1 1 361.179 2.105 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)CN2C(=O)c3ccccc3C2=O)n1 ZINC000487711503 561374425 /nfs/dbraw/zinc/37/44/25/561374425.db2.gz UJGVEMSLJNIAAM-UHFFFAOYSA-N -1 1 371.418 2.092 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1C ZINC000237856605 548858958 /nfs/dbraw/zinc/85/89/58/548858958.db2.gz KRTVNDRLRBQMAD-UHFFFAOYSA-N -1 1 373.478 2.150 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000245583289 548951003 /nfs/dbraw/zinc/95/10/03/548951003.db2.gz DEJAIMDHHZUUPH-QWHCGFSZSA-N -1 1 372.462 2.011 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C1 ZINC000246752823 549204664 /nfs/dbraw/zinc/20/46/64/549204664.db2.gz XNRKRONXWURGOC-OCDDVZBJSA-N -1 1 361.467 2.453 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000246752823 549204668 /nfs/dbraw/zinc/20/46/68/549204668.db2.gz XNRKRONXWURGOC-OCDDVZBJSA-N -1 1 361.467 2.453 20 0 FEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)CNC(=O)c2ncccc2[O-])s1 ZINC000489605301 561415243 /nfs/dbraw/zinc/41/52/43/561415243.db2.gz OIXQVYZHVAEFTL-NSHDSACASA-N -1 1 362.455 2.064 20 0 FEADMM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(I)ccc1[O-] ZINC000249213429 549569017 /nfs/dbraw/zinc/56/90/17/549569017.db2.gz SRPRWGQFHYILSY-UFGOTCBOSA-N -1 1 373.190 2.294 20 0 FEADMM C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(N)=O ZINC000490076018 561425823 /nfs/dbraw/zinc/42/58/23/561425823.db2.gz ZUJLJRUDTHNKAZ-BMIGLBTASA-N -1 1 370.833 2.415 20 0 FEADMM O=S(=O)([N-]C[C@@H]1NCCc2ccccc21)c1c(F)c(F)cc(F)c1F ZINC000262304482 549808775 /nfs/dbraw/zinc/80/87/75/549808775.db2.gz OJDGLVXLLXDKHG-ZDUSSCGKSA-N -1 1 374.359 2.408 20 0 FEADMM CCC[C@H](NCC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000262315028 549810360 /nfs/dbraw/zinc/81/03/60/549810360.db2.gz UEEGNBGZWYJMDE-OCCSQVGLSA-N -1 1 352.431 2.032 20 0 FEADMM CC(=O)NCCN(Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H](C)C(=O)[O-] ZINC000263313305 549894347 /nfs/dbraw/zinc/89/43/47/549894347.db2.gz IHZJOBKTUQUPRV-VIFPVBQESA-N -1 1 373.240 2.052 20 0 FEADMM COc1c(Cl)cc(Cl)cc1CN(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263414134 549899879 /nfs/dbraw/zinc/89/98/79/549899879.db2.gz MNEHFLWBCLEEAN-SECBINFHSA-N -1 1 363.241 2.413 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1 ZINC000268449696 550067991 /nfs/dbraw/zinc/06/79/91/550067991.db2.gz ABIXBXGHKUYKIU-UHFFFAOYSA-N -1 1 365.455 2.293 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]nc2C)c1Br ZINC000491581430 561446779 /nfs/dbraw/zinc/44/67/79/561446779.db2.gz MHDAUZQDEXOWKQ-UHFFFAOYSA-N -1 1 374.216 2.068 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)n[n-]1 ZINC000268673133 550102054 /nfs/dbraw/zinc/10/20/54/550102054.db2.gz VEAFYMJTCHBGLI-ZDUSSCGKSA-N -1 1 370.500 2.106 20 0 FEADMM CCCOc1cccc(CNC(=O)CS(=O)(=O)c2ccc([O-])cc2)c1 ZINC000268684895 550103717 /nfs/dbraw/zinc/10/37/17/550103717.db2.gz XUVJPFNRVMJIES-UHFFFAOYSA-N -1 1 363.435 2.271 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCc2ccc(-c3ccccc3)o2)n1 ZINC000492208089 561450134 /nfs/dbraw/zinc/45/01/34/561450134.db2.gz GVJLHXREZGMXNT-UHFFFAOYSA-N -1 1 360.395 2.040 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)[n-]1 ZINC000492208089 561450135 /nfs/dbraw/zinc/45/01/35/561450135.db2.gz GVJLHXREZGMXNT-UHFFFAOYSA-N -1 1 360.395 2.040 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCOC3(CCC3)C2)c(=O)[n-]1 ZINC000269010060 550143812 /nfs/dbraw/zinc/14/38/12/550143812.db2.gz AYAXMSGAWNXYOS-GFCCVEGCSA-N -1 1 351.472 2.363 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)OC)c1ccc(C)o1 ZINC000270058880 550245859 /nfs/dbraw/zinc/24/58/59/550245859.db2.gz WSQJXUFXELERMM-CQSZACIVSA-N -1 1 367.423 2.349 20 0 FEADMM Cc1cnn(Cc2cc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)no2)c1 ZINC000270283574 550258796 /nfs/dbraw/zinc/25/87/96/550258796.db2.gz YNBASXLBMPULHR-UHFFFAOYSA-N -1 1 372.332 2.436 20 0 FEADMM O=c1cc(CN2CCN(c3cncc(F)c3)CC2)c2ccc([O-])cc2o1 ZINC000270490383 550277521 /nfs/dbraw/zinc/27/75/21/550277521.db2.gz APVYBBLBFYSVPQ-UHFFFAOYSA-N -1 1 355.369 2.355 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H](OC)c2ccc(F)cc2)o1 ZINC000271295455 550361876 /nfs/dbraw/zinc/36/18/76/550361876.db2.gz USJIUDWAAAVFCJ-BMIGLBTASA-N -1 1 371.386 2.260 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000271331491 550365705 /nfs/dbraw/zinc/36/57/05/550365705.db2.gz BAQJRFCEZOJFBO-GDBMZVCRSA-N -1 1 360.458 2.304 20 0 FEADMM C[C@@H](CCO)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271426447 550374294 /nfs/dbraw/zinc/37/42/94/550374294.db2.gz PNRACNLHRHWVGO-VIFPVBQESA-N -1 1 364.320 2.251 20 0 FEADMM CCCc1cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n(C)n1 ZINC000271434134 550375287 /nfs/dbraw/zinc/37/52/87/550375287.db2.gz SIRUCLZADHZWPF-UHFFFAOYSA-N -1 1 366.425 2.420 20 0 FEADMM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272095694 550422521 /nfs/dbraw/zinc/42/25/21/550422521.db2.gz KARYZSMAUPRXTI-SNVBAGLBSA-N -1 1 361.254 2.478 20 0 FEADMM COc1ccc(CN2CCC[N@H+](Cc3nc(C)ccc3O)CC2=O)cc1 ZINC000274318468 550532501 /nfs/dbraw/zinc/53/25/01/550532501.db2.gz ALYJKQOETVGOSU-UHFFFAOYSA-N -1 1 355.438 2.339 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000274914751 550564387 /nfs/dbraw/zinc/56/43/87/550564387.db2.gz LMNZSLRVFDZCAN-UHFFFAOYSA-N -1 1 362.411 2.254 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000276853670 550603117 /nfs/dbraw/zinc/60/31/17/550603117.db2.gz LFHPAEFXRDZWPV-CQSZACIVSA-N -1 1 361.417 2.261 20 0 FEADMM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)[C@H](C)NC(=O)OC(C)(C)C ZINC000277192257 550641906 /nfs/dbraw/zinc/64/19/06/550641906.db2.gz TVQUMUPGTKWZRW-MNOVXSKESA-N -1 1 360.418 2.355 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCOc2cccc(C)c2C)co1 ZINC000278520280 550794830 /nfs/dbraw/zinc/79/48/30/550794830.db2.gz PZLHCPIWLZMZEH-UHFFFAOYSA-N -1 1 366.439 2.003 20 0 FEADMM C[C@@H](O)CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000279040756 550849881 /nfs/dbraw/zinc/84/98/81/550849881.db2.gz CPYTXUHVFPECMD-CQSZACIVSA-N -1 1 362.451 2.378 20 0 FEADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1O ZINC000279185625 550862812 /nfs/dbraw/zinc/86/28/12/550862812.db2.gz BZIVVEPIQAWYQG-QGZVFWFLSA-N -1 1 374.462 2.330 20 0 FEADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279251705 550869718 /nfs/dbraw/zinc/86/97/18/550869718.db2.gz HYCAFAMKQPGYTF-STZFKDTASA-N -1 1 353.382 2.125 20 0 FEADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@H](c2ccccc2)O1 ZINC000279285095 550873617 /nfs/dbraw/zinc/87/36/17/550873617.db2.gz KMGNKPZHYLRERD-CAPYCQBFSA-N -1 1 351.410 2.336 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2SC)co1 ZINC000279607895 550908215 /nfs/dbraw/zinc/90/82/15/550908215.db2.gz BOSRBCGCKHKRMM-UHFFFAOYSA-N -1 1 354.453 2.182 20 0 FEADMM CCC[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H](O)c1ccccc1 ZINC000280473406 550997776 /nfs/dbraw/zinc/99/77/76/550997776.db2.gz NCXUWGALTOSHKM-STQMWFEESA-N -1 1 357.863 2.254 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ncn(C)n1 ZINC000280572126 551008868 /nfs/dbraw/zinc/00/88/68/551008868.db2.gz LTAWVIDNVNVBBV-ZCFIWIBFSA-N -1 1 353.206 2.301 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)s1 ZINC000280864135 551040439 /nfs/dbraw/zinc/04/04/39/551040439.db2.gz DDYFCTGDBFXVFD-MRVPVSSYSA-N -1 1 369.411 2.257 20 0 FEADMM Cc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280976887 551051366 /nfs/dbraw/zinc/05/13/66/551051366.db2.gz MBNNPDILZKINRH-GXSJLCMTSA-N -1 1 355.353 2.486 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1)OCO2 ZINC000281162687 551069595 /nfs/dbraw/zinc/06/95/95/551069595.db2.gz PFQLOGBFZYHPJI-QHCPKHFHSA-N -1 1 367.448 2.403 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@](C)(CC)OC)c1 ZINC000281257704 551078669 /nfs/dbraw/zinc/07/86/69/551078669.db2.gz WHJCVRKMJKDZFG-INIZCTEOSA-N -1 1 358.460 2.176 20 0 FEADMM CC(=O)c1ccccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281742252 551137640 /nfs/dbraw/zinc/13/76/40/551137640.db2.gz OWGVMSJXNRYWDE-UHFFFAOYSA-N -1 1 356.344 2.420 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000282213714 551196108 /nfs/dbraw/zinc/19/61/08/551196108.db2.gz RXMDYDWIQCEXEH-ZDUSSCGKSA-N -1 1 372.450 2.444 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)cc1 ZINC000282473580 551233840 /nfs/dbraw/zinc/23/38/40/551233840.db2.gz RSPCGIGEJUBWOQ-UHFFFAOYSA-N -1 1 359.451 2.182 20 0 FEADMM CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cc(C(=O)OC)ccc2[O-])cn1 ZINC000282713983 551262729 /nfs/dbraw/zinc/26/27/29/551262729.db2.gz GTGHDQAYMZAHIE-XJKSGUPXSA-N -1 1 359.382 2.112 20 0 FEADMM COC(=O)c1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 ZINC000282885118 551281729 /nfs/dbraw/zinc/28/17/29/551281729.db2.gz XCUYQQMBYRLMPD-UHFFFAOYSA-N -1 1 354.384 2.058 20 0 FEADMM O=C(COc1ccc2ccccc2c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282901476 551283636 /nfs/dbraw/zinc/28/36/36/551283636.db2.gz LQSVRAAGIUHZNB-HNNXBMFYSA-N -1 1 352.394 2.036 20 0 FEADMM O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282964420 551290509 /nfs/dbraw/zinc/29/05/09/551290509.db2.gz RTJHGUXZSUDDGH-GMTAPVOTSA-N -1 1 364.808 2.400 20 0 FEADMM C[C@@H](O)C[C@@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000283435414 551365447 /nfs/dbraw/zinc/36/54/47/551365447.db2.gz MYUJKUZGXXFYQV-DOMZBBRYSA-N -1 1 356.451 2.303 20 0 FEADMM O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000283521854 551381208 /nfs/dbraw/zinc/38/12/08/551381208.db2.gz SNDUBRQVDBJIFE-UHFFFAOYSA-N -1 1 368.389 2.122 20 0 FEADMM Cn1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)n1 ZINC000497950629 561512181 /nfs/dbraw/zinc/51/21/81/561512181.db2.gz JLTHOWTVYPXEPW-UHFFFAOYSA-N -1 1 370.681 2.376 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)c1 ZINC000285108647 551705806 /nfs/dbraw/zinc/70/58/06/551705806.db2.gz ONWDVBQACNGTRV-UHFFFAOYSA-N -1 1 367.423 2.266 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000285375914 551745908 /nfs/dbraw/zinc/74/59/08/551745908.db2.gz IOJCCUTZGJUBRE-UHFFFAOYSA-N -1 1 354.472 2.190 20 0 FEADMM O=S(=O)([N-]CCC1(O)CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000285388393 551748474 /nfs/dbraw/zinc/74/84/74/551748474.db2.gz SNHMFKDFMWLAHS-UHFFFAOYSA-N -1 1 372.245 2.342 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc(Cl)c1[O-] ZINC000285723140 551801597 /nfs/dbraw/zinc/80/15/97/551801597.db2.gz DLUYSVLHZFFZMH-BXUZGUMPSA-N -1 1 359.850 2.332 20 0 FEADMM CC(C)c1nc([C@@H](C)NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])n[nH]1 ZINC000285753725 551805372 /nfs/dbraw/zinc/80/53/72/551805372.db2.gz UXNGHGQWHZHOHE-SNVBAGLBSA-N -1 1 358.377 2.450 20 0 FEADMM Cc1nc(Cn2nnc(NC(=O)c3ccc(C(C)C)cc3[O-])c2C)no1 ZINC000286114267 551850211 /nfs/dbraw/zinc/85/02/11/551850211.db2.gz YQRNIMGVZLHUDO-UHFFFAOYSA-N -1 1 356.386 2.408 20 0 FEADMM C[C@H]1CCN(C(=O)NCCc2ccccn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000286884169 551936443 /nfs/dbraw/zinc/93/64/43/551936443.db2.gz DBJVATJYHOHCRQ-OBJOEFQTSA-N -1 1 372.391 2.111 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1 ZINC000286990588 551948858 /nfs/dbraw/zinc/94/88/58/551948858.db2.gz APPRUCAVXZRHHP-XDYMYHMZSA-N -1 1 357.458 2.135 20 0 FEADMM COCCCOc1cccc(NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287044250 551955612 /nfs/dbraw/zinc/95/56/12/551955612.db2.gz FWDAEYCTKRSPED-JWGURIENSA-N -1 1 355.398 2.401 20 0 FEADMM CN(CCCCNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000287099659 551963313 /nfs/dbraw/zinc/96/33/13/551963313.db2.gz JADMJRZEVUDERV-QJOMJCCJSA-N -1 1 352.442 2.380 20 0 FEADMM CCN(CCNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1cccc(C)c1 ZINC000287393267 551998246 /nfs/dbraw/zinc/99/82/46/551998246.db2.gz GEDITAQQEVCVSO-QJOMJCCJSA-N -1 1 352.442 2.298 20 0 FEADMM C[C@H]1CCN(C(=O)NCc2ccncc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000287432619 552003515 /nfs/dbraw/zinc/00/35/15/552003515.db2.gz ZJVVTIQEWHNFCJ-GVXVVHGQSA-N -1 1 358.364 2.069 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)ccnc1-2 ZINC000287539162 552017258 /nfs/dbraw/zinc/01/72/58/552017258.db2.gz JCUUVQIFEIYJNR-ZFQIHMSJSA-N -1 1 355.398 2.055 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3)ccnc1-2 ZINC000287622334 552026577 /nfs/dbraw/zinc/02/65/77/552026577.db2.gz NOZFFQHVZSOEKT-SXNXEAAASA-N -1 1 370.844 2.396 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3ccccc3OCC3CC3)ccnc1-2 ZINC000287652038 552030291 /nfs/dbraw/zinc/03/02/91/552030291.db2.gz PDAORMVTRAUEJI-KQWNVCNZSA-N -1 1 351.410 2.452 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC3CCN(c4ccccc4)CC3)ccnc1-2 ZINC000287677610 552033215 /nfs/dbraw/zinc/03/32/15/552033215.db2.gz QMSHWAMSJUKPES-QJOMJCCJSA-N -1 1 350.426 2.132 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)ccnc1-2 ZINC000287753217 552042205 /nfs/dbraw/zinc/04/22/05/552042205.db2.gz VCFSHVKHIUOMLQ-OHTQHADQSA-N -1 1 373.363 2.272 20 0 FEADMM COC(=O)c1nc([C@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)sc1C ZINC000287971535 552069473 /nfs/dbraw/zinc/06/94/73/552069473.db2.gz INRMRJXMZKIIEM-CYBMUJFWSA-N -1 1 374.418 2.490 20 0 FEADMM Cc1ccc(NC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1OC(C)C ZINC000288275320 552123941 /nfs/dbraw/zinc/12/39/41/552123941.db2.gz GKQJZVGNLMSFQR-HAHDFKILSA-N -1 1 367.409 2.015 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000288433236 552152459 /nfs/dbraw/zinc/15/24/59/552152459.db2.gz VBTVDMZLTNNJPU-LLVKDONJSA-N -1 1 356.344 2.496 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000288437461 552153291 /nfs/dbraw/zinc/15/32/91/552153291.db2.gz VKGFOPUHJCWXQD-NSHDSACASA-N -1 1 367.243 2.239 20 0 FEADMM Cc1cc(C)c(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(Cl)c1 ZINC000288773557 552209878 /nfs/dbraw/zinc/20/98/78/552209878.db2.gz BFGQBKTYHSWLDE-LBPRGKRZSA-N -1 1 363.849 2.186 20 0 FEADMM CC[C@H](C)Oc1cccc(NC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000289164539 552275984 /nfs/dbraw/zinc/27/59/84/552275984.db2.gz JTUWORQGHYICTP-KMOKPBRQSA-N -1 1 367.409 2.096 20 0 FEADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289499706 552331647 /nfs/dbraw/zinc/33/16/47/552331647.db2.gz JTBWFLVGNNBWSR-LBPRGKRZSA-N -1 1 364.389 2.074 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC(O)CC1 ZINC000289582828 552344798 /nfs/dbraw/zinc/34/47/98/552344798.db2.gz RLKLWKZZVGTMMD-UHFFFAOYSA-N -1 1 351.200 2.300 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](CO)CC2CCCC2)c(=O)[n-]1 ZINC000500536628 561576271 /nfs/dbraw/zinc/57/62/71/561576271.db2.gz RVWLMQYPEWPQNI-AWEZNQCLSA-N -1 1 367.515 2.450 20 0 FEADMM O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289798031 552380289 /nfs/dbraw/zinc/38/02/89/552380289.db2.gz YFSBVBAMCALFCH-CQSZACIVSA-N -1 1 365.393 2.305 20 0 FEADMM O=C(COc1ccccc1F)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290287352 552454106 /nfs/dbraw/zinc/45/41/06/552454106.db2.gz DUAVPHIRFHJMDD-NSHDSACASA-N -1 1 362.323 2.122 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CC=CCC1 ZINC000290595215 552503902 /nfs/dbraw/zinc/50/39/02/552503902.db2.gz VZIGJNJBTRPTKJ-JTQLQIEISA-N -1 1 363.266 2.497 20 0 FEADMM O=C(CSc1ccncc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291038485 552579150 /nfs/dbraw/zinc/57/91/50/552579150.db2.gz FWZSSVXEEFQNPM-NSHDSACASA-N -1 1 361.389 2.091 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)c3ccccc32)C1)C(F)(F)F ZINC000291236386 552604614 /nfs/dbraw/zinc/60/46/14/552604614.db2.gz XENVIVHFXSBTHS-SMDDNHRTSA-N -1 1 368.355 2.274 20 0 FEADMM C[C@@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1cccnc1 ZINC000291723913 552655048 /nfs/dbraw/zinc/65/50/48/552655048.db2.gz QXJLVTDYCMVBPS-NQBHXWOUSA-N -1 1 358.364 2.384 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000292109616 552694714 /nfs/dbraw/zinc/69/47/14/552694714.db2.gz VLNBFDIPWZDNMA-UHFFFAOYSA-N -1 1 354.276 2.149 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCO[C@@H](C)CC(C)C)c1 ZINC000292221344 552705714 /nfs/dbraw/zinc/70/57/14/552705714.db2.gz MHQHTYHTAFXRTR-LBPRGKRZSA-N -1 1 358.460 2.080 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000501444291 561597638 /nfs/dbraw/zinc/59/76/38/561597638.db2.gz CWPVHTAGQVJUMP-GFCCVEGCSA-N -1 1 352.239 2.364 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000501444292 561597694 /nfs/dbraw/zinc/59/76/94/561597694.db2.gz CWPVHTAGQVJUMP-LBPRGKRZSA-N -1 1 352.239 2.364 20 0 FEADMM COc1ccc(NC(=O)c2c(C)nsc2C)cc1[N-]S(C)(=O)=O ZINC000292296913 552713387 /nfs/dbraw/zinc/71/33/87/552713387.db2.gz PTQAGQMLJYKVIU-UHFFFAOYSA-N -1 1 355.441 2.392 20 0 FEADMM CCc1c(C)nn(-c2cccc(C(=O)NC(C)(C)c3nn[n-]n3)c2)c1C ZINC000501495863 561598768 /nfs/dbraw/zinc/59/87/68/561598768.db2.gz KTFWOLIYYDHVKK-UHFFFAOYSA-N -1 1 353.430 2.230 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1COc2ccccc2[C@H]1O ZINC000292877167 552767604 /nfs/dbraw/zinc/76/76/04/552767604.db2.gz AGNIHDGIIUGIHU-IUODEOHRSA-N -1 1 357.410 2.013 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c(C(F)(F)F)n1 ZINC000293183656 552796876 /nfs/dbraw/zinc/79/68/76/552796876.db2.gz SRIWLSVSZJHJKT-WDEREUQCSA-N -1 1 363.336 2.412 20 0 FEADMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293871971 552864187 /nfs/dbraw/zinc/86/41/87/552864187.db2.gz AXFGCCRDHWEKNL-MRVPVSSYSA-N -1 1 353.391 2.410 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnc2cnccc2c1 ZINC000293915221 552867577 /nfs/dbraw/zinc/86/75/77/552867577.db2.gz OSZGJPMSBIBZNZ-ZWNOBZJWSA-N -1 1 366.343 2.301 20 0 FEADMM CCOC(=O)[C@@H](F)C1CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000294080210 552880433 /nfs/dbraw/zinc/88/04/33/552880433.db2.gz IDAMTEBNIGEHLC-LBPRGKRZSA-N -1 1 360.179 2.128 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000294332708 552897651 /nfs/dbraw/zinc/89/76/51/552897651.db2.gz XQNXCERIGICVQG-HNNXBMFYSA-N -1 1 352.394 2.107 20 0 FEADMM Cc1cc(OCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc(C)c1Cl ZINC000294381271 552901635 /nfs/dbraw/zinc/90/16/35/552901635.db2.gz MDVKJPHLKHMNCV-LBPRGKRZSA-N -1 1 364.833 2.153 20 0 FEADMM CCC(CC)(CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)OC ZINC000294683929 552926569 /nfs/dbraw/zinc/92/65/69/552926569.db2.gz PSRVJFHDLSUNOX-UHFFFAOYSA-N -1 1 358.442 2.417 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1 ZINC000295243177 552974975 /nfs/dbraw/zinc/97/49/75/552974975.db2.gz VKQULRGHUKLZGC-UHFFFAOYSA-N -1 1 355.334 2.101 20 0 FEADMM Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1C ZINC000295302841 552984080 /nfs/dbraw/zinc/98/40/80/552984080.db2.gz KFAYCPWAAHCYRT-ZBFHGGJFSA-N -1 1 358.442 2.037 20 0 FEADMM O=c1[n-]nc([C@@H]2CCCN(C[C@H](O)c3ccccc3C(F)(F)F)C2)o1 ZINC000295415205 553002938 /nfs/dbraw/zinc/00/29/38/553002938.db2.gz SZQUAZHQUHFEIB-MFKMUULPSA-N -1 1 357.332 2.295 20 0 FEADMM O=S(=O)(C[C@H]1CCCC1(F)F)[N-][C@H](CO)c1c(F)cccc1F ZINC000295424270 553004747 /nfs/dbraw/zinc/00/47/47/553004747.db2.gz CQPUAVDYBIFEQN-BXKDBHETSA-N -1 1 355.353 2.353 20 0 FEADMM CN(C)C(=O)O[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000295453893 553009096 /nfs/dbraw/zinc/00/90/96/553009096.db2.gz MGCUNELLXMLRAE-SNVBAGLBSA-N -1 1 357.204 2.067 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(C1CC1)C1COC1 ZINC000295546700 553023965 /nfs/dbraw/zinc/02/39/65/553023965.db2.gz DEGJGNZEJNIDHC-UHFFFAOYSA-N -1 1 372.446 2.491 20 0 FEADMM O=C([N-]C[C@H]1CCCN(c2ccc3c(n2)CCCC3=O)C1)C(F)(F)F ZINC000295729068 553051409 /nfs/dbraw/zinc/05/14/09/553051409.db2.gz VQPXSVBGWXLHQO-LLVKDONJSA-N -1 1 355.360 2.496 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1c(C)nc(SC)nc1C ZINC000295796375 553060372 /nfs/dbraw/zinc/06/03/72/553060372.db2.gz ZOBFPJJDYYLXGQ-UHFFFAOYSA-N -1 1 355.460 2.137 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2coc3c2C(=O)CCC3)s1 ZINC000295949670 553080204 /nfs/dbraw/zinc/08/02/04/553080204.db2.gz UHNMGDXVSWHUDH-UHFFFAOYSA-N -1 1 363.395 2.398 20 0 FEADMM C[C@H]1CN(Cc2csc(NC(=O)c3ccc(O)cc3[O-])n2)C[C@H](C)O1 ZINC000298170217 553393414 /nfs/dbraw/zinc/39/34/14/553393414.db2.gz ZEOVIUQQGKLYQX-QWRGUYRKSA-N -1 1 363.439 2.416 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c2nccc(C)c2c1 ZINC000298834312 553478818 /nfs/dbraw/zinc/47/88/18/553478818.db2.gz CUWHXGKTCBKDJW-CYBMUJFWSA-N -1 1 351.410 2.283 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000298865957 553482530 /nfs/dbraw/zinc/48/25/30/553482530.db2.gz RAKKPFDDSNEHBN-UHFFFAOYSA-N -1 1 358.419 2.315 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cnn1C1CCCCC1 ZINC000298938361 553492268 /nfs/dbraw/zinc/49/22/68/553492268.db2.gz NFONRJRVMVJQNP-ZDUSSCGKSA-N -1 1 358.446 2.128 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299130068 553519579 /nfs/dbraw/zinc/51/95/79/553519579.db2.gz XLHDBTVVFQYOET-JMJZKYOTSA-N -1 1 366.343 2.025 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C[C@H]2CCOC2)C2CC2)c(=O)[n-]1 ZINC000299259408 553538380 /nfs/dbraw/zinc/53/83/80/553538380.db2.gz SMBRJDCRVICXGQ-GFCCVEGCSA-N -1 1 351.472 2.173 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C(C)C)o1 ZINC000299457234 553565735 /nfs/dbraw/zinc/56/57/35/553565735.db2.gz VZNYHIZAVLXLCB-UHFFFAOYSA-N -1 1 354.403 2.378 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000299582450 553584517 /nfs/dbraw/zinc/58/45/17/553584517.db2.gz DCSYSVVUULDSKI-JTQLQIEISA-N -1 1 356.263 2.131 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000504586595 561660116 /nfs/dbraw/zinc/66/01/16/561660116.db2.gz NSPCQAPTGXSQCF-UHFFFAOYSA-N -1 1 363.317 2.246 20 0 FEADMM CC[C@H](O)[C@H](CC)NC(=O)c1ccc(I)c([O-])c1 ZINC000313111503 553756908 /nfs/dbraw/zinc/75/69/08/553756908.db2.gz MEFJGZFILAPZNB-QWRGUYRKSA-N -1 1 363.195 2.276 20 0 FEADMM Cc1nc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c(C)s1 ZINC000505583483 561674557 /nfs/dbraw/zinc/67/45/57/561674557.db2.gz CBLZEVAKKZZRSP-UHFFFAOYSA-N -1 1 367.452 2.159 20 0 FEADMM CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000327358187 553787911 /nfs/dbraw/zinc/78/79/11/553787911.db2.gz HEVKSOLVBBXPIC-UHFFFAOYSA-N -1 1 364.379 2.158 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000327889289 553791968 /nfs/dbraw/zinc/79/19/68/553791968.db2.gz FEBOLPWLYGWMFI-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505730836 561678708 /nfs/dbraw/zinc/67/87/08/561678708.db2.gz CIVMIKHUJJTJGU-GWCFXTLKSA-N -1 1 366.439 2.065 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)no1 ZINC000506737612 561707298 /nfs/dbraw/zinc/70/72/98/561707298.db2.gz YWQMCCUBEOSQMD-UHFFFAOYSA-N -1 1 372.468 2.318 20 0 FEADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000507007386 561713921 /nfs/dbraw/zinc/71/39/21/561713921.db2.gz NIJTWCZWGLKZLS-UHFFFAOYSA-N -1 1 360.391 2.160 20 0 FEADMM CS(=O)(=O)c1csc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000506848381 561710005 /nfs/dbraw/zinc/71/00/05/561710005.db2.gz YBFAIDLTZBCPGY-UHFFFAOYSA-N -1 1 363.420 2.500 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H]1/C=C\c1ccccc1 ZINC000507528900 561731921 /nfs/dbraw/zinc/73/19/21/561731921.db2.gz KYXJUJVYGWPEMW-SNGWPZLWSA-N -1 1 351.406 2.221 20 0 FEADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)ccc1F ZINC000507562583 561733250 /nfs/dbraw/zinc/73/32/50/561733250.db2.gz FWFBNNFSLDWOLI-UHFFFAOYSA-N -1 1 350.371 2.236 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000507607502 561735065 /nfs/dbraw/zinc/73/50/65/561735065.db2.gz TVVPCGOUOIEWRQ-UHFFFAOYSA-N -1 1 374.462 2.352 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)cn1C ZINC000507632466 561735997 /nfs/dbraw/zinc/73/59/97/561735997.db2.gz AOFPQTPDCFIJNI-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM CCC(=O)c1ccc(OCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000507859752 561743505 /nfs/dbraw/zinc/74/35/05/561743505.db2.gz AFECMMGEZXOOMN-ZDUSSCGKSA-N -1 1 359.382 2.153 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000330505082 554130376 /nfs/dbraw/zinc/13/03/76/554130376.db2.gz FXCLJPDPKOUUBP-PWSUYJOCSA-N -1 1 362.854 2.404 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N1CCCC[C@@H]1C ZINC000330634924 554148712 /nfs/dbraw/zinc/14/87/12/554148712.db2.gz UFWVSNFFIAPSQR-UWVGGRQHSA-N -1 1 364.389 2.172 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000508362387 561759954 /nfs/dbraw/zinc/75/99/54/561759954.db2.gz ODJDYTHELYFNRE-MRXNPFEDSA-N -1 1 353.422 2.313 20 0 FEADMM C[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000508377537 561760597 /nfs/dbraw/zinc/76/05/97/561760597.db2.gz BVHLRTIKHNCFNQ-GOEBONIOSA-N -1 1 353.422 2.169 20 0 FEADMM COc1cc(C(=O)N2CCC([C@H](C)NC(C)=O)CC2)cc(Cl)c1[O-] ZINC000331295631 554242868 /nfs/dbraw/zinc/24/28/68/554242868.db2.gz YODOEZHYIGSDSR-JTQLQIEISA-N -1 1 354.834 2.431 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)c(F)c1F ZINC000331449189 554266205 /nfs/dbraw/zinc/26/62/05/554266205.db2.gz SPSZKDPKCRARIX-SNVBAGLBSA-N -1 1 365.373 2.110 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C1CC1)c1cc(Cl)c(Br)cc1F ZINC000331819259 554325091 /nfs/dbraw/zinc/32/50/91/554325091.db2.gz HXXFERCGJOQOHM-JTQLQIEISA-N -1 1 372.643 2.291 20 0 FEADMM C[C@H](Cc1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1)C(=O)[O-] ZINC000509378079 561796853 /nfs/dbraw/zinc/79/68/53/561796853.db2.gz JJCMELNTSMVULL-LLVKDONJSA-N -1 1 363.391 2.479 20 0 FEADMM CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000509383842 561797107 /nfs/dbraw/zinc/79/71/07/561797107.db2.gz DMFUMFZITIWAJE-UHFFFAOYSA-N -1 1 350.396 2.271 20 0 FEADMM CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000331905927 554343940 /nfs/dbraw/zinc/34/39/40/554343940.db2.gz XBPSKPLFWYXZAD-UKRRQHHQSA-N -1 1 362.474 2.049 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000332051072 554370120 /nfs/dbraw/zinc/37/01/20/554370120.db2.gz LVHPIQOPIITBSD-AWEZNQCLSA-N -1 1 356.426 2.169 20 0 FEADMM C[C@H](N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1(C)CC1 ZINC000332134428 554387300 /nfs/dbraw/zinc/38/73/00/554387300.db2.gz KMQFZOGTUPGTKP-JTQLQIEISA-N -1 1 364.464 2.006 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000332148099 554390115 /nfs/dbraw/zinc/39/01/15/554390115.db2.gz LAHUMHSCVMEPNA-FRRDWIJNSA-N -1 1 355.460 2.224 20 0 FEADMM COc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509642444 561808550 /nfs/dbraw/zinc/80/85/50/561808550.db2.gz NIOWZJQEVTVALC-UHFFFAOYSA-N -1 1 355.343 2.099 20 0 FEADMM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000509695757 561810746 /nfs/dbraw/zinc/81/07/46/561810746.db2.gz ZZZBQRDMZANDTK-UHFFFAOYSA-N -1 1 354.378 2.444 20 0 FEADMM CC1(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H](CO)O1 ZINC000332221417 554403828 /nfs/dbraw/zinc/40/38/28/554403828.db2.gz MNLOUSBYUMKOOI-LLVKDONJSA-N -1 1 350.802 2.206 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(C)(C)OC ZINC000509872540 561816850 /nfs/dbraw/zinc/81/68/50/561816850.db2.gz UOEJVEDIIGOJFL-UHFFFAOYSA-N -1 1 370.254 2.483 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000509989121 561821125 /nfs/dbraw/zinc/82/11/25/561821125.db2.gz LBKWNZRFZAKVPE-UHFFFAOYSA-N -1 1 369.377 2.197 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)[nH]c21 ZINC000510249897 561829720 /nfs/dbraw/zinc/82/97/20/561829720.db2.gz OIHNCHNMXORMPG-UHFFFAOYSA-N -1 1 373.390 2.353 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)[C@H](C)COC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510471601 561835711 /nfs/dbraw/zinc/83/57/11/561835711.db2.gz JMGKWDWHMHBWBY-ABAIWWIYSA-N -1 1 363.863 2.073 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510473072 561835815 /nfs/dbraw/zinc/83/58/15/561835815.db2.gz PBPHYTPIVGAQDW-OAHLLOKOSA-N -1 1 363.863 2.074 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c(=O)[n-]1 ZINC000333081970 554569258 /nfs/dbraw/zinc/56/92/58/554569258.db2.gz MFQLGXMCOSZJPX-QWHCGFSZSA-N -1 1 351.472 2.030 20 0 FEADMM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1csc(=NC2CC2)[n-]1 ZINC000333158998 554581521 /nfs/dbraw/zinc/58/15/21/554581521.db2.gz NCZSUQLSSVYKMZ-OCCSQVGLSA-N -1 1 362.499 2.628 20 0 FEADMM Cc1ccc2[nH]cc(C(=O)N3CCC[C@H](N4CCCC4=O)CC3)c(=O)c2c1 ZINC000333997097 554666405 /nfs/dbraw/zinc/66/64/05/554666405.db2.gz OPQOMIFOKWGGFN-HNNXBMFYSA-N -1 1 367.449 2.454 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(NC(N)=O)cc3)cnc2n1 ZINC000510942820 561851860 /nfs/dbraw/zinc/85/18/60/561851860.db2.gz CDFLMXKXWVOQFG-UHFFFAOYSA-N -1 1 351.366 2.064 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc(NC(N)=O)cc1)c2=O ZINC000510942820 561851861 /nfs/dbraw/zinc/85/18/61/561851861.db2.gz CDFLMXKXWVOQFG-UHFFFAOYSA-N -1 1 351.366 2.064 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1CC(F)(F)F ZINC000511074173 561856080 /nfs/dbraw/zinc/85/60/80/561856080.db2.gz NQNRZRULGLLWHA-UHFFFAOYSA-N -1 1 353.300 2.261 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(-c2occc2C(C)C)no1 ZINC000350496748 554792674 /nfs/dbraw/zinc/79/26/74/554792674.db2.gz ALJFACZCQPYLLL-UHFFFAOYSA-N -1 1 357.432 2.297 20 0 FEADMM COc1ccc(-c2nc(-c3ccc(N4CCNC(=O)C4)cc3)no2)c([O-])c1 ZINC000350565281 554797870 /nfs/dbraw/zinc/79/78/70/554797870.db2.gz COPUZGWQLXMMSR-UHFFFAOYSA-N -1 1 366.377 2.054 20 0 FEADMM COc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)c([O-])c1 ZINC000350570815 554798196 /nfs/dbraw/zinc/79/81/96/554798196.db2.gz PERHQZWMXKDJLF-UHFFFAOYSA-N -1 1 361.379 2.489 20 0 FEADMM CC(C)[C@](C)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(N)=O ZINC000511249694 561862725 /nfs/dbraw/zinc/86/27/25/561862725.db2.gz IKNFBVSPPYEPHW-LBPRGKRZSA-N -1 1 357.234 2.311 20 0 FEADMM CCOCCCNC(=O)Cc1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000350693665 554807459 /nfs/dbraw/zinc/80/74/59/554807459.db2.gz JVJUWJYEQAQHDU-UHFFFAOYSA-N -1 1 369.805 2.190 20 0 FEADMM COc1cc(-c2noc(-c3nnn(C)c3C)n2)cc(Br)c1[O-] ZINC000350760359 554811641 /nfs/dbraw/zinc/81/16/41/554811641.db2.gz MYTCKJAYZDBLDA-UHFFFAOYSA-N -1 1 366.175 2.317 20 0 FEADMM CCOc1cc(-c2noc(-c3cn(CCOC)nn3)n2)cc(Cl)c1[O-] ZINC000351214585 554844331 /nfs/dbraw/zinc/84/43/31/554844331.db2.gz HVYCTDWUYIWTNK-UHFFFAOYSA-N -1 1 365.777 2.399 20 0 FEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362132226 554951665 /nfs/dbraw/zinc/95/16/65/554951665.db2.gz SRENQFIEJJIPMY-GHMZBOCLSA-N -1 1 369.347 2.392 20 0 FEADMM O=C1C[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccc2N1 ZINC000362861788 554994230 /nfs/dbraw/zinc/99/42/30/554994230.db2.gz PDMRWICTIWPQDX-JTQLQIEISA-N -1 1 352.362 2.369 20 0 FEADMM CCC(=O)N1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000363083562 555026359 /nfs/dbraw/zinc/02/63/59/555026359.db2.gz YOUGTOJLHPFSNR-UHFFFAOYSA-N -1 1 355.232 2.239 20 0 FEADMM Cc1nc(C2(NC(=O)c3c[n-]c4c(cnn4C)c3=O)CCCCCC2)no1 ZINC000511905911 561884846 /nfs/dbraw/zinc/88/48/46/561884846.db2.gz LVJWWCIDKAHUKN-UHFFFAOYSA-N -1 1 370.413 2.345 20 0 FEADMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512081942 561891519 /nfs/dbraw/zinc/89/15/19/561891519.db2.gz LKPIEUIGWLPWDH-KXBFYZLASA-N -1 1 352.394 2.143 20 0 FEADMM CC(C)(C)C(=O)NCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363856952 555200470 /nfs/dbraw/zinc/20/04/70/555200470.db2.gz RFEYKHSEPZOVKT-UHFFFAOYSA-N -1 1 360.454 2.366 20 0 FEADMM Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000363873981 555204426 /nfs/dbraw/zinc/20/44/26/555204426.db2.gz FXUBPTGWFYZUNQ-MRXNPFEDSA-N -1 1 371.441 2.097 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)cs1 ZINC000364120227 555253855 /nfs/dbraw/zinc/25/38/55/555253855.db2.gz MDDKTDPCZRCNAT-LBPRGKRZSA-N -1 1 358.485 2.085 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)c1 ZINC000364122006 555254407 /nfs/dbraw/zinc/25/44/07/555254407.db2.gz ROQPZTHNBUBKST-HNNXBMFYSA-N -1 1 370.446 2.163 20 0 FEADMM NC(=O)c1ccccc1N1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000364227362 555274035 /nfs/dbraw/zinc/27/40/35/555274035.db2.gz WQHRXCSGWIYOSL-CYBMUJFWSA-N -1 1 357.385 2.029 20 0 FEADMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cnc(Cl)c(F)c1 ZINC000365356469 555552159 /nfs/dbraw/zinc/55/21/59/555552159.db2.gz OWJIVSXSZHHYMC-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM CN1C(=O)CC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@H]1c1cccs1 ZINC000365417421 555569765 /nfs/dbraw/zinc/56/97/65/555569765.db2.gz AYHYUDQUNBRHIQ-XCBNKYQSSA-N -1 1 373.360 2.433 20 0 FEADMM Cn1nccc1[C@H]1[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCC(=O)N1C ZINC000365858215 555685006 /nfs/dbraw/zinc/68/50/06/555685006.db2.gz UXMWWCUSYSWPRO-BDJLRTHQSA-N -1 1 362.817 2.327 20 0 FEADMM CCOC(=O)C(C)(C)C1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000513549798 561942459 /nfs/dbraw/zinc/94/24/59/561942459.db2.gz YTBYLGMFXZTOKA-UHFFFAOYSA-N -1 1 371.437 2.365 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)c1 ZINC000513791828 561949798 /nfs/dbraw/zinc/94/97/98/561949798.db2.gz VTYGXLGUZABDFG-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM COc1ccc(CCCC(=O)NC2(c3nn[n-]n3)CCCC2)c(OC)c1 ZINC000513838921 561951984 /nfs/dbraw/zinc/95/19/84/561951984.db2.gz ZUMFPFPIFHQIFG-UHFFFAOYSA-N -1 1 359.430 2.125 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1-c1ccncc1 ZINC000366433991 555842424 /nfs/dbraw/zinc/84/24/24/555842424.db2.gz UFSKSZKFYBBUHL-UHFFFAOYSA-N -1 1 370.390 2.251 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000367388413 556035577 /nfs/dbraw/zinc/03/55/77/556035577.db2.gz OYRFSURVRYEZDG-CQSZACIVSA-N -1 1 358.398 2.371 20 0 FEADMM O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000367394381 556036809 /nfs/dbraw/zinc/03/68/09/556036809.db2.gz NEAUUTVIJZAWTP-UHFFFAOYSA-N -1 1 368.397 2.273 20 0 FEADMM Cc1nnc([C@@H]2CC23CCN(CC(=O)[N-]OCc2ccccc2)CC3)o1 ZINC000367563341 556083817 /nfs/dbraw/zinc/08/38/17/556083817.db2.gz LTDQWBRRBDERTB-INIZCTEOSA-N -1 1 356.426 2.196 20 0 FEADMM CC[C@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)N(C)Cc1ccccc1 ZINC000514861404 561983797 /nfs/dbraw/zinc/98/37/97/561983797.db2.gz FMJZYTIJDSJEPB-GOSISDBHSA-N -1 1 362.470 2.379 20 0 FEADMM CC(C)(c1ccc(C(=O)N=c2ncn(CC(=O)[O-])[nH]2)cc1)C(F)(F)F ZINC000622044044 556211388 /nfs/dbraw/zinc/21/13/88/556211388.db2.gz SHQHYYHMBHDRTK-UHFFFAOYSA-N -1 1 356.304 2.455 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000368144349 556229383 /nfs/dbraw/zinc/22/93/83/556229383.db2.gz UOYBHPDSGOIZBP-MRXNPFEDSA-N -1 1 374.400 2.395 20 0 FEADMM CCCCO[C@@H](C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368505216 556329968 /nfs/dbraw/zinc/32/99/68/556329968.db2.gz XYBMIUZZHDIQES-ZANVPECISA-N -1 1 355.801 2.403 20 0 FEADMM CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c1 ZINC000368535940 556338431 /nfs/dbraw/zinc/33/84/31/556338431.db2.gz BQJJXZGFECMQFJ-UHFFFAOYSA-N -1 1 367.336 2.329 20 0 FEADMM CO[C@@H]1C[C@H](C(=O)[O-])N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000515492158 562012773 /nfs/dbraw/zinc/01/27/73/562012773.db2.gz XBYHEUSKDOPDSD-DFQSSKMNSA-N -1 1 371.433 2.267 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000369022195 556479270 /nfs/dbraw/zinc/47/92/70/556479270.db2.gz VNPUEVWSMNCGBB-MRXNPFEDSA-N -1 1 351.410 2.353 20 0 FEADMM NC(=O)C1(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)CCCC1 ZINC000369103375 556505711 /nfs/dbraw/zinc/50/57/11/556505711.db2.gz ONPGFFYFFKFSQU-UHFFFAOYSA-N -1 1 367.449 2.101 20 0 FEADMM Cc1onc(-c2ccccc2C)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000369145540 556516529 /nfs/dbraw/zinc/51/65/29/556516529.db2.gz RTXUYROXNFCZBJ-ZDUSSCGKSA-N -1 1 352.398 2.491 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NC[C@H]2C[C@@H](O)C2)nc1 ZINC000624666852 556623087 /nfs/dbraw/zinc/62/30/87/556623087.db2.gz UAIWYIRFGDGTCM-UMSPYCQHSA-N -1 1 369.393 2.343 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)ccc1C ZINC000369901264 556725385 /nfs/dbraw/zinc/72/53/85/556725385.db2.gz UQUBQTJAKJBXMQ-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM O=C(C=Cc1cc(Cl)ccc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370849192 556989686 /nfs/dbraw/zinc/98/96/86/556989686.db2.gz COXGHFYNCCHHKI-FXZDBVEHSA-N -1 1 354.197 2.120 20 0 FEADMM O=C(c1ccccc1Oc1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370858103 556992934 /nfs/dbraw/zinc/99/29/34/556992934.db2.gz QYRINXKRQJDLJO-INIZCTEOSA-N -1 1 351.366 2.206 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@H]2c2ccco2)c(=O)[n-]1 ZINC000370912370 557012061 /nfs/dbraw/zinc/01/20/61/557012061.db2.gz SXLPABBQKBEDBO-ZDUSSCGKSA-N -1 1 363.439 2.338 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2CC(c3ccccc3OC)C2)c1 ZINC000370988748 557037250 /nfs/dbraw/zinc/03/72/50/557037250.db2.gz WILDVHBPWGYTFR-UHFFFAOYSA-N -1 1 365.407 2.299 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)o1 ZINC000371244429 557117970 /nfs/dbraw/zinc/11/79/70/557117970.db2.gz OCALKGBCAZSJAH-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C2 ZINC000371539842 557214600 /nfs/dbraw/zinc/21/46/00/557214600.db2.gz RYLQAWMYDHXTBB-VIFPVBQESA-N -1 1 361.254 2.187 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3cccs3)C[C@@H]2C)co1 ZINC000372307664 557435638 /nfs/dbraw/zinc/43/56/38/557435638.db2.gz LZPHDHQICVANIR-QWRGUYRKSA-N -1 1 354.453 2.267 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc4ncsc4c3)cc2N1 ZINC000519124265 562125544 /nfs/dbraw/zinc/12/55/44/562125544.db2.gz JWMJJXBPDMHJPH-UHFFFAOYSA-N -1 1 361.404 2.428 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000372735131 557550476 /nfs/dbraw/zinc/55/04/76/557550476.db2.gz DRKXFJTWDVCSNY-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM CC1(C)c2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)ccc2NC1=O ZINC000519767480 562143189 /nfs/dbraw/zinc/14/31/89/562143189.db2.gz VNGNHHSSIHKJJB-NSHDSACASA-N -1 1 356.382 2.025 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(OC)cs3)CC2)n1 ZINC000373069456 557621042 /nfs/dbraw/zinc/62/10/42/557621042.db2.gz JWMTXFJDOGWNKX-UHFFFAOYSA-N -1 1 364.427 2.071 20 0 FEADMM COCC1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 ZINC000373549400 557716411 /nfs/dbraw/zinc/71/64/11/557716411.db2.gz RJKLQYFOVWCYBX-UHFFFAOYSA-N -1 1 373.409 2.039 20 0 FEADMM CC[C@H]1CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C[C@]2(CCCOC2)O1 ZINC000373607746 557728369 /nfs/dbraw/zinc/72/83/69/557728369.db2.gz FJONKMDOYRXGRS-SJCJKPOMSA-N -1 1 367.471 2.013 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1noc(-c2ccccc2)n1 ZINC000373785535 557758891 /nfs/dbraw/zinc/75/88/91/557758891.db2.gz ZSOZYFHXBPWZFI-VIFPVBQESA-N -1 1 367.818 2.163 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]2COC[C@H]21 ZINC000374440176 557884479 /nfs/dbraw/zinc/88/44/79/557884479.db2.gz MVUAYTJXLHOOCG-DOTOQJQBSA-N -1 1 368.437 2.123 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 ZINC000374463962 557887320 /nfs/dbraw/zinc/88/73/20/557887320.db2.gz BMKNJAJZLMGOJI-CYBMUJFWSA-N -1 1 358.350 2.015 20 0 FEADMM Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cnc1Cl ZINC000375100383 557977856 /nfs/dbraw/zinc/97/78/56/557977856.db2.gz KOHVDRWAVOYWMQ-UHFFFAOYSA-N -1 1 374.759 2.483 20 0 FEADMM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000375611834 558056930 /nfs/dbraw/zinc/05/69/30/558056930.db2.gz KXYNIHFQNUBPDS-UHFFFAOYSA-N -1 1 365.802 2.335 20 0 FEADMM C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc2ncncc2[n-]1 ZINC000376451393 558174830 /nfs/dbraw/zinc/17/48/30/558174830.db2.gz VKWRYVRKPSBBTM-NSHDSACASA-N -1 1 354.395 2.074 20 0 FEADMM C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc2cncnc2[n-]1 ZINC000376451393 558174832 /nfs/dbraw/zinc/17/48/32/558174832.db2.gz VKWRYVRKPSBBTM-NSHDSACASA-N -1 1 354.395 2.074 20 0 FEADMM C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc2c[n-]cnc-2n1 ZINC000376451393 558174834 /nfs/dbraw/zinc/17/48/34/558174834.db2.gz VKWRYVRKPSBBTM-NSHDSACASA-N -1 1 354.395 2.074 20 0 FEADMM Cc1nnc(-c2cccc(NC(=O)/N=c3/ccnc4n(C)[n-]cc3-4)c2)n1C ZINC000376619915 558198631 /nfs/dbraw/zinc/19/86/31/558198631.db2.gz AAFICHFNJHTZIW-JCMHNJIXSA-N -1 1 362.397 2.090 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000377098347 558265891 /nfs/dbraw/zinc/26/58/91/558265891.db2.gz AMINAVQQRPNUCS-NSPYISDASA-N -1 1 370.384 2.372 20 0 FEADMM O=C(c1ccccc1[O-])N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000377114179 558269274 /nfs/dbraw/zinc/26/92/74/558269274.db2.gz BEEWRCSTEBGHQN-KGLIPLIRSA-N -1 1 352.390 2.041 20 0 FEADMM Cc1nnc(-c2ccccc2NS(=O)(=O)c2cccc(CC(=O)[O-])c2)o1 ZINC000377360361 558324851 /nfs/dbraw/zinc/32/48/51/558324851.db2.gz PFSTVYNFSPXQHT-UHFFFAOYSA-N -1 1 373.390 2.473 20 0 FEADMM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377598308 558374192 /nfs/dbraw/zinc/37/41/92/558374192.db2.gz FZIGHOHEZWKZMY-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000522545870 562199654 /nfs/dbraw/zinc/19/96/54/562199654.db2.gz LKCOLFZNCSNHJX-WFASDCNBSA-N -1 1 356.426 2.169 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC(c3cn[nH]c3)CC2)c(=O)[n-]1 ZINC000377711939 558403303 /nfs/dbraw/zinc/40/33/03/558403303.db2.gz DQPVWFMOTYXNJV-UHFFFAOYSA-N -1 1 361.471 2.274 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000378074920 558474840 /nfs/dbraw/zinc/47/48/40/558474840.db2.gz JWMCPZPUFFPLET-DOTOQJQBSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)N[C@H](c3nnc[nH]3)c3ccccc3)cc2=O)cc1 ZINC000378532754 558576864 /nfs/dbraw/zinc/57/68/64/558576864.db2.gz ZCKQOCPXSSNMFP-SFHVURJKSA-N -1 1 374.404 2.112 20 0 FEADMM COc1ccc2c(c1)[C@H](C)CN(C(=O)c1c[n-]c3c(cnn3C)c1=O)CC2 ZINC000378568550 558584811 /nfs/dbraw/zinc/58/48/11/558584811.db2.gz KDZKOLASSFTMDN-GFCCVEGCSA-N -1 1 366.421 2.485 20 0 FEADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000378634698 558598555 /nfs/dbraw/zinc/59/85/55/558598555.db2.gz RUCZWSXTXNOEKA-SFHVURJKSA-N -1 1 360.454 2.364 20 0 FEADMM O=C(NCC1=CCCOC1)c1ccc(I)c([O-])c1 ZINC000380239822 558602693 /nfs/dbraw/zinc/60/26/93/558602693.db2.gz ZPWQXXZEHBSWBL-UHFFFAOYSA-N -1 1 359.163 2.073 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1 ZINC000524019277 562222990 /nfs/dbraw/zinc/22/29/90/562222990.db2.gz BXCOGHALXAZVMY-UHFFFAOYSA-N -1 1 359.363 2.324 20 0 FEADMM O=C(c1csc([C@H]2CCCO2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408000325 558636920 /nfs/dbraw/zinc/63/69/20/558636920.db2.gz ZQRDADFKLSTBQF-MWLCHTKSSA-N -1 1 350.400 2.103 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc(Cl)c1[O-] ZINC000408064650 558642941 /nfs/dbraw/zinc/64/29/41/558642941.db2.gz LWZYJBDFUUTQIP-YUELXQCFSA-N -1 1 369.845 2.446 20 0 FEADMM O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408176044 558653722 /nfs/dbraw/zinc/65/37/22/558653722.db2.gz BORZWMOHXLVGLF-PJFSTRORSA-N -1 1 355.394 2.222 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCC[C@@H](C(=O)N(C)C)C3)cnc2n1 ZINC000524452252 562228906 /nfs/dbraw/zinc/22/89/06/562228906.db2.gz IHYGFBBTVVPCDY-OLZOCXBDSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c2=O ZINC000524452252 562228907 /nfs/dbraw/zinc/22/89/07/562228907.db2.gz IHYGFBBTVVPCDY-OLZOCXBDSA-N -1 1 356.426 2.021 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC000410278794 558749916 /nfs/dbraw/zinc/74/99/16/558749916.db2.gz HRHRYXPWAFMWRA-UHFFFAOYSA-N -1 1 372.425 2.660 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)ccc1C ZINC000410416012 558756294 /nfs/dbraw/zinc/75/62/94/558756294.db2.gz XQGVNWVCRMGBIW-UHFFFAOYSA-N -1 1 374.418 2.319 20 0 FEADMM CCCC[C@H](COC)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000525418555 562247985 /nfs/dbraw/zinc/24/79/85/562247985.db2.gz GPCZUNCWABDOSC-CYBMUJFWSA-N -1 1 373.475 2.393 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CS[C@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000413735801 559127812 /nfs/dbraw/zinc/12/78/12/559127812.db2.gz XWGBBBITFFPDSV-MWLCHTKSSA-N -1 1 359.473 2.082 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCCC[C@H]3F)CC2)n1 ZINC000413765391 559129425 /nfs/dbraw/zinc/12/94/25/559129425.db2.gz JTDTWSZALHGXRO-CHWSQXEVSA-N -1 1 367.425 2.151 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)CC1 ZINC000414370845 559159055 /nfs/dbraw/zinc/15/90/55/559159055.db2.gz HTEWTWWHFWIRFD-UHFFFAOYSA-N -1 1 363.439 2.408 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc4c3CCO4)cc21 ZINC000527028049 562273838 /nfs/dbraw/zinc/27/38/38/562273838.db2.gz XGEZEJNRLDJCGF-UHFFFAOYSA-N -1 1 358.419 2.331 20 0 FEADMM CCOc1ccc(CN[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000414655950 559177565 /nfs/dbraw/zinc/17/75/65/559177565.db2.gz KDQFPRXNMYEYEX-GOEBONIOSA-N -1 1 352.406 2.024 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2ccc(OCC3CC3)cc2)C1=O ZINC000414666534 559178276 /nfs/dbraw/zinc/17/82/76/559178276.db2.gz VIUMVVFOZGKXDZ-ZWKOTPCHSA-N -1 1 360.454 2.275 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000416151722 559294721 /nfs/dbraw/zinc/29/47/21/559294721.db2.gz RWFVCCDONUODTD-UHFFFAOYSA-N -1 1 351.790 2.257 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000416154209 559294988 /nfs/dbraw/zinc/29/49/88/559294988.db2.gz ILXVCFYPYBSHFZ-UHFFFAOYSA-N -1 1 369.780 2.397 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000416183931 559296910 /nfs/dbraw/zinc/29/69/10/559296910.db2.gz MATQRUOAPBFBSL-UHFFFAOYSA-N -1 1 365.336 2.374 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000416189824 559297345 /nfs/dbraw/zinc/29/73/45/559297345.db2.gz LKPPARGVJORDAC-LLVKDONJSA-N -1 1 361.373 2.445 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000416193244 559297516 /nfs/dbraw/zinc/29/75/16/559297516.db2.gz PVXTYUWDCCRQOV-FQEVSTJZSA-N -1 1 369.421 2.407 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccsc1 ZINC000416465617 559315132 /nfs/dbraw/zinc/31/51/32/559315132.db2.gz MHJIWBNMTXXKSR-AWEZNQCLSA-N -1 1 361.485 2.088 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCC(=O)N1 ZINC000416499174 559317887 /nfs/dbraw/zinc/31/78/87/559317887.db2.gz AKMHBWDDTDSRNC-GFCCVEGCSA-N -1 1 355.218 2.080 20 0 FEADMM Cn1cnc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000416535486 559320271 /nfs/dbraw/zinc/32/02/71/559320271.db2.gz MRWOYVASDXLKMU-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM CC(=O)[C@H]([N-]S(=O)(=O)CCc1scnc1C)c1ccccc1F ZINC000416655300 559327967 /nfs/dbraw/zinc/32/79/67/559327967.db2.gz XCPWSPAORZZPIJ-HNNXBMFYSA-N -1 1 356.444 2.383 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000416834024 559334340 /nfs/dbraw/zinc/33/43/40/559334340.db2.gz WDLYEBCFVBVZCZ-SRVKXCTJSA-N -1 1 371.459 2.002 20 0 FEADMM COc1ccc(Br)cc1[C@@H](NCc1cnn(C)c1)C(=O)[O-] ZINC000417559835 559366880 /nfs/dbraw/zinc/36/68/80/559366880.db2.gz JCKDPGUUDZOHAX-CYBMUJFWSA-N -1 1 354.204 2.107 20 0 FEADMM Cc1nn(C)c2ncc(CN[C@]3(C(=O)[O-])CCOc4ccccc43)cc12 ZINC000417570475 559367118 /nfs/dbraw/zinc/36/71/18/559367118.db2.gz RXVZIHLQLMJMIO-LJQANCHMSA-N -1 1 352.394 2.129 20 0 FEADMM CN(C)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)[nH]1 ZINC000417568910 559367206 /nfs/dbraw/zinc/36/72/06/559367206.db2.gz ULBSVGRFRPDVNO-CQSZACIVSA-N -1 1 353.781 2.425 20 0 FEADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc(Cl)c1OC ZINC000417586194 559368187 /nfs/dbraw/zinc/36/81/87/559368187.db2.gz ARNJEVNHUNUUAW-CQSZACIVSA-N -1 1 353.806 2.396 20 0 FEADMM COc1c(Br)cccc1CN[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000417598176 559368885 /nfs/dbraw/zinc/36/88/85/559368885.db2.gz XSIUDTWWGNPAHL-LBPRGKRZSA-N -1 1 354.204 2.107 20 0 FEADMM Cc1cccc(CNCCNC(=O)NCc2cccc(C(=O)[O-])c2)c1F ZINC000417608304 559369333 /nfs/dbraw/zinc/36/93/33/559369333.db2.gz INDZQRNYHMEOIE-UHFFFAOYSA-N -1 1 359.401 2.421 20 0 FEADMM Cc1cccc2nc(CCC(=O)N3CCCC[C@@H]3c3n[nH]c(=O)[n-]3)[nH]c21 ZINC000420091385 559472253 /nfs/dbraw/zinc/47/22/53/559472253.db2.gz GSLABRDJROOXID-CYBMUJFWSA-N -1 1 354.414 2.381 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1ccccc1 ZINC000420662658 559496189 /nfs/dbraw/zinc/49/61/89/559496189.db2.gz BMLCMCACEWGKQP-MRXNPFEDSA-N -1 1 361.419 2.204 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1ccc(C)c(C)c1 ZINC000420689183 559498158 /nfs/dbraw/zinc/49/81/58/559498158.db2.gz MOVUPPFKZPSXKI-SJORKVTESA-N -1 1 371.499 2.498 20 0 FEADMM CCCN1C[C@H](CNC(=O)c2cc(Br)ccc2[O-])CC1=O ZINC000421603862 559546132 /nfs/dbraw/zinc/54/61/32/559546132.db2.gz PJEUQEDUALCTDR-JTQLQIEISA-N -1 1 355.232 2.143 20 0 FEADMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1(F)F ZINC000421791843 559553617 /nfs/dbraw/zinc/55/36/17/559553617.db2.gz LEKQUOIGDHUNBD-CQSZACIVSA-N -1 1 360.382 2.161 20 0 FEADMM CO[C@@H]1C[C@@H](c2nc[nH]n2)N(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000424091633 559654409 /nfs/dbraw/zinc/65/44/09/559654409.db2.gz DXGVDVCEIRIRQW-BMFZPTHFSA-N -1 1 365.441 2.734 20 0 FEADMM CCNC(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000424267789 559660295 /nfs/dbraw/zinc/66/02/95/559660295.db2.gz YVIMUKBOAMRJJX-MRXNPFEDSA-N -1 1 361.442 2.094 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC1CCN(Cc2ccccn2)CC1)C(=O)[O-] ZINC000424389675 559662736 /nfs/dbraw/zinc/66/27/36/559662736.db2.gz COMNYVBWEUJTHT-OAHLLOKOSA-N -1 1 362.474 2.092 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424568573 559669744 /nfs/dbraw/zinc/66/97/44/559669744.db2.gz UGBLOHRRQVHPJJ-QUGAMOGWSA-N -1 1 372.490 2.194 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000424760352 559675872 /nfs/dbraw/zinc/67/58/72/559675872.db2.gz WTXMYMCHOVIWLV-QRRVGDGBSA-N -1 1 372.490 2.364 20 0 FEADMM COc1c(Br)ccc(C)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000424785177 559676653 /nfs/dbraw/zinc/67/66/53/559676653.db2.gz RUNLXIAZCGJOGM-VIFPVBQESA-N -1 1 368.235 2.155 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N2CC(N(C)Cc3ccccc3)C2)c1 ZINC000424834499 559678122 /nfs/dbraw/zinc/67/81/22/559678122.db2.gz KSVLDHZPIAHSMH-SANMLTNESA-N -1 1 372.490 2.146 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C)cc2F)[C@]12CCCO2 ZINC000425175491 559689538 /nfs/dbraw/zinc/68/95/38/559689538.db2.gz JVXXHBISGIAOHB-IIAWOOMASA-N -1 1 361.410 2.278 20 0 FEADMM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425173993 559689602 /nfs/dbraw/zinc/68/96/02/559689602.db2.gz ZHDKQVYMTPBNTQ-UHFFFAOYSA-N -1 1 359.398 2.056 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)c2ccc(F)cc2)c(F)c1 ZINC000425183159 559689986 /nfs/dbraw/zinc/68/99/86/559689986.db2.gz FVRSAVKJGYGWLV-GFCCVEGCSA-N -1 1 359.369 2.467 20 0 FEADMM CC(=O)NC[C@H]1CCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000425217913 559691850 /nfs/dbraw/zinc/69/18/50/559691850.db2.gz WNHZRAROIRIATK-DOTOQJQBSA-N -1 1 353.470 3.002 20 0 FEADMM CCS(=O)(=O)C1CCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425264749 559694041 /nfs/dbraw/zinc/69/40/41/559694041.db2.gz XMXBYLHBIGDYAX-OAHLLOKOSA-N -1 1 374.510 3.053 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@@H](CS(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425267023 559694206 /nfs/dbraw/zinc/69/42/06/559694206.db2.gz KJJKKDUPBYUEFD-HZPDHXFCSA-N -1 1 374.510 2.911 20 0 FEADMM O=C(c1cc(F)ccc1-n1cccn1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318489 559696535 /nfs/dbraw/zinc/69/65/35/559696535.db2.gz IGXDYERNHODJMU-UHFFFAOYSA-N -1 1 357.345 2.120 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)s1 ZINC000527325672 562285257 /nfs/dbraw/zinc/28/52/57/562285257.db2.gz MGRXJTRZTOPWEL-UHFFFAOYSA-N -1 1 361.518 2.133 20 0 FEADMM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc3c(cn2)OCCO3)[nH]1 ZINC000425560908 559709769 /nfs/dbraw/zinc/70/97/69/559709769.db2.gz NNZSZIPYUFSTCX-UHFFFAOYSA-N -1 1 374.397 2.348 20 0 FEADMM O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1csc(=NC2CC2)[n-]1 ZINC000426407426 559734120 /nfs/dbraw/zinc/73/41/20/559734120.db2.gz ZNWGESDGMTZWIO-UHFFFAOYSA-N -1 1 362.499 2.628 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CNC(=O)c1ncccc1[O-] ZINC000426956743 559744709 /nfs/dbraw/zinc/74/47/09/559744709.db2.gz PPZNPSHQSYQTAS-IIAWOOMASA-N -1 1 353.422 2.310 20 0 FEADMM COCc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)cc(C(=O)OC)c1 ZINC000427291344 559752278 /nfs/dbraw/zinc/75/22/78/559752278.db2.gz FLRDZJCUYUJGHU-UHFFFAOYSA-N -1 1 365.407 2.429 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cnc1C ZINC000427790218 559762632 /nfs/dbraw/zinc/76/26/32/559762632.db2.gz RWGHENHOTGFJOU-UHFFFAOYSA-N -1 1 366.443 2.289 20 0 FEADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])CC2 ZINC000428510830 559777065 /nfs/dbraw/zinc/77/70/65/559777065.db2.gz AMLKBNNYSSCJOQ-INIZCTEOSA-N -1 1 353.422 2.444 20 0 FEADMM COCCN(Cc1ccnn1C)C(=O)c1ccc(Br)c([O-])c1 ZINC000428711001 559781683 /nfs/dbraw/zinc/78/16/83/559781683.db2.gz UOJJNHSDMVLHNE-UHFFFAOYSA-N -1 1 368.231 2.177 20 0 FEADMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)c1ccncn1 ZINC000429022711 559788922 /nfs/dbraw/zinc/78/89/22/559788922.db2.gz UESSLKRXDGDLDM-UHFFFAOYSA-N -1 1 350.201 2.943 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000430324342 559817800 /nfs/dbraw/zinc/81/78/00/559817800.db2.gz UTFVNWKXRIZSAT-OAHLLOKOSA-N -1 1 371.347 2.404 20 0 FEADMM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1(c2nn[n-]n2)CC1 ZINC000430327931 559817863 /nfs/dbraw/zinc/81/78/63/559817863.db2.gz CWTWSVWVKOVMAL-UHFFFAOYSA-N -1 1 360.830 2.325 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N(C)CCCNC(=O)C3CCC3)cnc2n1 ZINC000430681799 559826258 /nfs/dbraw/zinc/82/62/58/559826258.db2.gz RPPVZJSYYSDLJG-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CCCNC(=O)C1CCC1)c2=O ZINC000430681799 559826259 /nfs/dbraw/zinc/82/62/59/559826259.db2.gz RPPVZJSYYSDLJG-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432180456 559853479 /nfs/dbraw/zinc/85/34/79/559853479.db2.gz WGUZXNKEYNGBPN-UHFFFAOYSA-N -1 1 372.402 2.044 20 0 FEADMM COc1cc(NS(=O)(=O)c2cnc3onc(C)c3c2)ccc1C(=O)[O-] ZINC000432782143 559864754 /nfs/dbraw/zinc/86/47/54/559864754.db2.gz VRAGSXHAGLJKMI-UHFFFAOYSA-N -1 1 363.351 2.039 20 0 FEADMM CCOC(=O)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433643486 559885486 /nfs/dbraw/zinc/88/54/86/559885486.db2.gz DXLMJDDGMQHMSL-UHFFFAOYSA-N -1 1 362.654 2.005 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2c(C)cccc2C)sc1C ZINC000434958915 559913315 /nfs/dbraw/zinc/91/33/15/559913315.db2.gz QBHDEJXJMPOVIZ-UHFFFAOYSA-N -1 1 353.469 2.294 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)cn1C ZINC000434976427 559913706 /nfs/dbraw/zinc/91/37/06/559913706.db2.gz KYWATMUGLAUZLX-UHFFFAOYSA-N -1 1 374.422 2.311 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1 ZINC000435177967 559917744 /nfs/dbraw/zinc/91/77/44/559917744.db2.gz QBIRBYFRQVGXPD-UHFFFAOYSA-N -1 1 358.423 2.076 20 0 FEADMM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000435219520 559918098 /nfs/dbraw/zinc/91/80/98/559918098.db2.gz DYDKQHPPWPTWAP-UHFFFAOYSA-N -1 1 369.468 2.076 20 0 FEADMM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000435428867 559922746 /nfs/dbraw/zinc/92/27/46/559922746.db2.gz UTTCMYIHHRKMJR-VIFPVBQESA-N -1 1 369.245 2.420 20 0 FEADMM CC1(C)CCCN(CCNS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1 ZINC000435470904 559923878 /nfs/dbraw/zinc/92/38/78/559923878.db2.gz QIZOYYQMHIGGJS-UHFFFAOYSA-N -1 1 368.499 2.104 20 0 FEADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000435973656 559933242 /nfs/dbraw/zinc/93/32/42/559933242.db2.gz OIJMRQHQJVTOHE-UHFFFAOYSA-N -1 1 358.419 2.496 20 0 FEADMM C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000436175735 559936682 /nfs/dbraw/zinc/93/66/82/559936682.db2.gz GTMGNGPQFLQTJJ-MNOVXSKESA-N -1 1 364.464 2.006 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cn2ccc3ccccc3c2=O)c1 ZINC000436505189 559943369 /nfs/dbraw/zinc/94/33/69/559943369.db2.gz PJQQOTHDUJRIAR-UHFFFAOYSA-N -1 1 352.346 2.132 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)c1 ZINC000436509710 559943666 /nfs/dbraw/zinc/94/36/66/559943666.db2.gz SFEQQZASHAGQKD-UHFFFAOYSA-N -1 1 368.389 2.036 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)NC(=O)c2ccccc2)c1 ZINC000436510803 559943748 /nfs/dbraw/zinc/94/37/48/559943748.db2.gz UPRQECKKJGQRSW-UHFFFAOYSA-N -1 1 356.378 2.326 20 0 FEADMM COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436562592 559945278 /nfs/dbraw/zinc/94/52/78/559945278.db2.gz KVMMTZSYCAHCTD-UHFFFAOYSA-N -1 1 374.368 2.407 20 0 FEADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000436576027 559945881 /nfs/dbraw/zinc/94/58/81/559945881.db2.gz PJSRTXIIYIRCRN-BFYDXBDKSA-N -1 1 354.381 2.418 20 0 FEADMM O=C(NCCNc1ccc(-c2ccccc2)nn1)c1cc(F)ccc1[O-] ZINC000436583282 559946009 /nfs/dbraw/zinc/94/60/09/559946009.db2.gz DIDWHGPSQUXKIE-UHFFFAOYSA-N -1 1 352.369 2.830 20 0 FEADMM COC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C(=O)OC ZINC000436598331 559946111 /nfs/dbraw/zinc/94/61/11/559946111.db2.gz SVZKIIQIEOQTOR-ZBFHGGJFSA-N -1 1 371.389 2.112 20 0 FEADMM Cc1noc(C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436612459 559946513 /nfs/dbraw/zinc/94/65/13/559946513.db2.gz YETNDSORHNRDGS-INIZCTEOSA-N -1 1 351.362 2.367 20 0 FEADMM COC(=O)[C@H](CC(F)F)NC(=O)c1ccc(Br)cc1[O-] ZINC000436611866 559946601 /nfs/dbraw/zinc/94/66/01/559946601.db2.gz YXKWITBKKZRMQW-QMMMGPOBSA-N -1 1 352.131 2.081 20 0 FEADMM O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000436670491 559948438 /nfs/dbraw/zinc/94/84/38/559948438.db2.gz GHMVPYDWVRJFLO-GFCCVEGCSA-N -1 1 352.740 2.039 20 0 FEADMM CCc1cnccc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000436701040 559949343 /nfs/dbraw/zinc/94/93/43/559949343.db2.gz YQBBLPVAIRAPEB-UHFFFAOYSA-N -1 1 361.423 2.043 20 0 FEADMM CC(C)CN1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3[O-])CCN2C1=O ZINC000436702505 559949471 /nfs/dbraw/zinc/94/94/71/559949471.db2.gz FHBFPLCPNAEICC-ZDUSSCGKSA-N -1 1 351.834 2.264 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1OC ZINC000436707222 559949532 /nfs/dbraw/zinc/94/95/32/559949532.db2.gz XDGKPFILEYWRPQ-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1C(=O)N1CCOCC1 ZINC000436716868 559949795 /nfs/dbraw/zinc/94/97/95/559949795.db2.gz CZKNVOCHSDICAD-UHFFFAOYSA-N -1 1 356.378 2.131 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1F ZINC000436727046 559950251 /nfs/dbraw/zinc/95/02/51/559950251.db2.gz XTXPSDAVRZGOHT-UHFFFAOYSA-N -1 1 355.343 2.347 20 0 FEADMM CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000436744251 559950722 /nfs/dbraw/zinc/95/07/22/559950722.db2.gz KUPGFJJIXSOFLH-JBEBIEQOSA-N -1 1 367.858 2.208 20 0 FEADMM CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000436744253 559950835 /nfs/dbraw/zinc/95/08/35/559950835.db2.gz KUPGFJJIXSOFLH-SHACYNPGSA-N -1 1 367.858 2.208 20 0 FEADMM COc1cc(CNC(=O)c2ccc(Cl)cc2[O-])ccc1OCCO ZINC000436785747 559951996 /nfs/dbraw/zinc/95/19/96/559951996.db2.gz GCQIZHHAWDZZMD-UHFFFAOYSA-N -1 1 351.786 2.355 20 0 FEADMM CNC(=O)CCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436787176 559952135 /nfs/dbraw/zinc/95/21/35/559952135.db2.gz MYVAVNFLTIOFNY-UHFFFAOYSA-N -1 1 371.393 2.118 20 0 FEADMM O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436844918 559954152 /nfs/dbraw/zinc/95/41/52/559954152.db2.gz QHOMGYOQACDSSB-JTQLQIEISA-N -1 1 362.323 2.452 20 0 FEADMM O=C(N[C@H](CO)c1ccc(Br)cc1)C(=O)c1ccc([O-])cc1 ZINC000436858465 559954413 /nfs/dbraw/zinc/95/44/13/559954413.db2.gz FNXFDBPRRBDACN-CQSZACIVSA-N -1 1 364.195 2.187 20 0 FEADMM CN(CCNC(=O)c1cc(Br)ccc1[O-])CC(F)(F)F ZINC000436894804 559955425 /nfs/dbraw/zinc/95/54/25/559955425.db2.gz UCEDIYNWDMJMSW-UHFFFAOYSA-N -1 1 355.154 2.379 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCc3c2cc(F)cc3F)c1 ZINC000436989751 559958774 /nfs/dbraw/zinc/95/87/74/559958774.db2.gz PEDZVLIOIKRLNQ-UHFFFAOYSA-N -1 1 355.318 2.120 20 0 FEADMM CCN(CC)C(=O)CCC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000437001131 559959095 /nfs/dbraw/zinc/95/90/95/559959095.db2.gz VNHYBAODXLJWQS-UHFFFAOYSA-N -1 1 360.454 2.462 20 0 FEADMM CCc1ccnc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000437750675 559969108 /nfs/dbraw/zinc/96/91/08/559969108.db2.gz UMACTZHCMALMQB-UHFFFAOYSA-N -1 1 363.421 2.369 20 0 FEADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1 ZINC000438726500 559982726 /nfs/dbraw/zinc/98/27/26/559982726.db2.gz URLSMGROEHVDPK-UHFFFAOYSA-N -1 1 364.423 2.131 20 0 FEADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000438799701 559983827 /nfs/dbraw/zinc/98/38/27/559983827.db2.gz YRGKHHMJRXHKLR-UHFFFAOYSA-N -1 1 371.422 2.302 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438808208 559983924 /nfs/dbraw/zinc/98/39/24/559983924.db2.gz FWKOFOZQDUJAAM-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCCO1 ZINC000439499740 559995965 /nfs/dbraw/zinc/99/59/65/559995965.db2.gz ADBNRTQKHLOSFG-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM CO[C@H]1CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)[C@H](C)C1 ZINC000442901803 560061754 /nfs/dbraw/zinc/06/17/54/560061754.db2.gz UYFJVRQLURZRJQ-DOMZBBRYSA-N -1 1 356.426 2.121 20 0 FEADMM COc1cc(C(=O)NCCN2C(=O)c3ccccc3C2=O)cc(Cl)c1[O-] ZINC000442944840 560063191 /nfs/dbraw/zinc/06/31/91/560063191.db2.gz NFHHFDJBLWEUCM-UHFFFAOYSA-N -1 1 374.780 2.080 20 0 FEADMM Cn1nc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc2c1=O ZINC000445476999 560132442 /nfs/dbraw/zinc/13/24/42/560132442.db2.gz LBGVLRFADHMQQU-UHFFFAOYSA-N -1 1 352.325 2.419 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000446619515 560148727 /nfs/dbraw/zinc/14/87/27/560148727.db2.gz GROGPHBKFRYURC-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@@H](CO)Cc3ccccc3)cnc2n1 ZINC000447269483 560159288 /nfs/dbraw/zinc/15/92/88/560159288.db2.gz BNQFQZBREGDHOO-HNNXBMFYSA-N -1 1 351.406 2.225 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@@H](CO)Cc1ccccc1)c2=O ZINC000447269483 560159289 /nfs/dbraw/zinc/15/92/89/560159289.db2.gz BNQFQZBREGDHOO-HNNXBMFYSA-N -1 1 351.406 2.225 20 0 FEADMM CC(C)Cn1ncnc1CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447492505 560163201 /nfs/dbraw/zinc/16/32/01/560163201.db2.gz SCXAEGBDBGNKPF-UHFFFAOYSA-N -1 1 363.418 2.437 20 0 FEADMM CC(C)Cn1ncnc1CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447492505 560163202 /nfs/dbraw/zinc/16/32/02/560163202.db2.gz SCXAEGBDBGNKPF-UHFFFAOYSA-N -1 1 363.418 2.437 20 0 FEADMM C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447494407 560163216 /nfs/dbraw/zinc/16/32/16/560163216.db2.gz WWPFTOLMZFFODK-SNVBAGLBSA-N -1 1 353.419 2.293 20 0 FEADMM C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447494407 560163217 /nfs/dbraw/zinc/16/32/17/560163217.db2.gz WWPFTOLMZFFODK-SNVBAGLBSA-N -1 1 353.419 2.293 20 0 FEADMM CC(=O)Nc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cn1 ZINC000447617081 560165363 /nfs/dbraw/zinc/16/53/63/560165363.db2.gz FXYNEFQNWZNKPP-UHFFFAOYSA-N -1 1 364.199 2.438 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC[C@@H]3CCCO3)c2)n1 ZINC000447682086 560166751 /nfs/dbraw/zinc/16/67/51/560166751.db2.gz VKTQSPJZQMTQRY-HNNXBMFYSA-N -1 1 372.425 2.224 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3[C@H](C)C3(F)F)c2)n1 ZINC000447679073 560166853 /nfs/dbraw/zinc/16/68/53/560166853.db2.gz MMLKTVSZZIEECX-CABZTGNLSA-N -1 1 364.352 2.166 20 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FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C)o1 ZINC000451865737 560333250 /nfs/dbraw/zinc/33/32/50/560333250.db2.gz XYQCCNITBQZSAU-WFASDCNBSA-N -1 1 361.460 2.024 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)[C@@H](C)O ZINC000451893134 560335160 /nfs/dbraw/zinc/33/51/60/560335160.db2.gz OQBSXTUCODQMDI-RDDDGLTNSA-N -1 1 370.254 2.218 20 0 FEADMM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1sccc1Br ZINC000451973053 560341517 /nfs/dbraw/zinc/34/15/17/560341517.db2.gz WMLMOMBMHPZOOP-QMMMGPOBSA-N -1 1 364.290 2.154 20 0 FEADMM O=S(=O)([N-]CCN1CCC(O)CC1)c1sc2ccccc2c1Cl ZINC000451985854 560342548 /nfs/dbraw/zinc/34/25/48/560342548.db2.gz FCJWPKLBHMQHTP-UHFFFAOYSA-N -1 1 374.915 2.290 20 0 FEADMM CCOC(=O)[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC12COC2 ZINC000452233241 560355891 /nfs/dbraw/zinc/35/58/91/560355891.db2.gz YUZVCNQCHDLTGC-MRXNPFEDSA-N -1 1 355.390 2.197 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000453014768 560381171 /nfs/dbraw/zinc/38/11/71/560381171.db2.gz WQGHUNYXLRXZIY-SUHUHFCYSA-N -1 1 370.243 2.157 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cc(Cl)c1[O-] ZINC000456193349 560510401 /nfs/dbraw/zinc/51/04/01/560510401.db2.gz OGMNXSXZBNBIJU-LLVKDONJSA-N -1 1 361.847 2.094 20 0 FEADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456628270 560526357 /nfs/dbraw/zinc/52/63/57/560526357.db2.gz KKANMBVHSBFQEC-STQMWFEESA-N -1 1 352.390 2.057 20 0 FEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456628264 560526365 /nfs/dbraw/zinc/52/63/65/560526365.db2.gz KKANMBVHSBFQEC-CHWSQXEVSA-N -1 1 352.390 2.057 20 0 FEADMM CCn1cc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000456734496 560531288 /nfs/dbraw/zinc/53/12/88/560531288.db2.gz WNZSVHCRNCGSKO-NSHDSACASA-N -1 1 368.459 2.064 20 0 FEADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000456794501 560533021 /nfs/dbraw/zinc/53/30/21/560533021.db2.gz QXJBMGKLUBFRNP-LPEHRKFASA-N -1 1 352.337 2.173 20 0 FEADMM CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457320274 560562398 /nfs/dbraw/zinc/56/23/98/560562398.db2.gz ZMPDBEOTNXGDIN-ZDUSSCGKSA-N -1 1 366.368 2.106 20 0 FEADMM CCC(C)(C)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000457678471 560581539 /nfs/dbraw/zinc/58/15/39/560581539.db2.gz UQTSPPSKSIYMBE-UHFFFAOYSA-N -1 1 370.471 2.320 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(C)C)co1 ZINC000457976639 560597459 /nfs/dbraw/zinc/59/74/59/560597459.db2.gz AAYLYGCUQSTKAI-GDBMZVCRSA-N -1 1 362.451 2.357 20 0 FEADMM O=c1cc(CN(CC[NH+]2CCOCC2)c2ccccc2)nc(C2CC2)[nH]1 ZINC000459337372 560680614 /nfs/dbraw/zinc/68/06/14/560680614.db2.gz CZHUXEWOMGCXGU-UHFFFAOYSA-N -1 1 354.454 2.398 20 0 FEADMM CCOc1cc(C[NH+]2CCC([C@H](O)C(=O)OC)CC2)cc(Cl)c1O ZINC000459341096 560680852 /nfs/dbraw/zinc/68/08/52/560680852.db2.gz DXHGMWLVPNOSHR-HNNXBMFYSA-N -1 1 357.834 2.190 20 0 FEADMM COc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(Cl)c1[O-] ZINC000460188159 560737456 /nfs/dbraw/zinc/73/74/56/560737456.db2.gz SLHFRNYCKSFDID-UHFFFAOYSA-N -1 1 361.785 2.497 20 0 FEADMM CSc1nnc(CCCNC(=O)c2ncc(C)cc2[O-])n1CC(C)C ZINC000460203950 560738039 /nfs/dbraw/zinc/73/80/39/560738039.db2.gz UHCMBXVRMPIZGZ-UHFFFAOYSA-N -1 1 363.487 2.428 20 0 FEADMM Cc1cnc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)c([O-])c1 ZINC000460296053 560740932 /nfs/dbraw/zinc/74/09/32/560740932.db2.gz LFPPKGXGLVSFNC-UHFFFAOYSA-N -1 1 351.288 2.087 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1 ZINC000460834840 560752990 /nfs/dbraw/zinc/75/29/90/560752990.db2.gz WUGGPFQUFARDRU-UHFFFAOYSA-N -1 1 374.422 2.097 20 0 FEADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000461117260 560762025 /nfs/dbraw/zinc/76/20/25/560762025.db2.gz RMESHHQHOVVHAV-UHFFFAOYSA-N -1 1 370.356 2.470 20 0 FEADMM CCCC[C@@H](C)N(C)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000461429081 560771260 /nfs/dbraw/zinc/77/12/60/560771260.db2.gz ZMJRRYYNDPRGIH-CQSZACIVSA-N -1 1 364.490 2.297 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(SC)cc2)c1 ZINC000461458058 560772227 /nfs/dbraw/zinc/77/22/27/560772227.db2.gz RXIRCWUOTHNPDS-UHFFFAOYSA-N -1 1 352.437 2.275 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc3ccccc3c2C)c1 ZINC000461464798 560772685 /nfs/dbraw/zinc/77/26/85/560772685.db2.gz MXMJUPKWXLKASF-UHFFFAOYSA-N -1 1 371.418 2.409 20 0 FEADMM CCCOc1cccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])c1 ZINC000461466724 560773197 /nfs/dbraw/zinc/77/31/97/560773197.db2.gz USEOCUFYQRWWMH-UHFFFAOYSA-N -1 1 364.423 2.341 20 0 FEADMM O=C(NC[C@H](CO)C1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461634753 560778234 /nfs/dbraw/zinc/77/82/34/560778234.db2.gz YJQSVIKHEMZNOH-MRXNPFEDSA-N -1 1 374.462 2.236 20 0 FEADMM COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462107212 560797666 /nfs/dbraw/zinc/79/76/66/560797666.db2.gz YMRLISFRZTUWOC-JTQLQIEISA-N -1 1 372.434 2.156 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)ccc1OC ZINC000462102614 560797216 /nfs/dbraw/zinc/79/72/16/560797216.db2.gz 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ZINC000468649063 560934993 /nfs/dbraw/zinc/93/49/93/560934993.db2.gz SQVHMRKTDOXLBX-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM CCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1)c1ccccc1OC ZINC000468649063 560934994 /nfs/dbraw/zinc/93/49/94/560934994.db2.gz SQVHMRKTDOXLBX-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cc(F)ccc2O)ccc1OCC(=O)[O-] ZINC000468798320 560938985 /nfs/dbraw/zinc/93/89/85/560938985.db2.gz CRVUKKYSKQTQBS-UHFFFAOYSA-N -1 1 355.343 2.104 20 0 FEADMM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000470235792 560977223 /nfs/dbraw/zinc/97/72/23/560977223.db2.gz ADNORULRQMRNKX-UHFFFAOYSA-N -1 1 350.379 2.189 20 0 FEADMM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000471498706 561005871 /nfs/dbraw/zinc/00/58/71/561005871.db2.gz DXEINPRLCABZBK-ZETCQYMHSA-N -1 1 371.659 2.224 20 0 FEADMM CN(CCCCO)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000472426923 561026263 /nfs/dbraw/zinc/02/62/63/561026263.db2.gz BQYQALTVZFGTPG-UHFFFAOYSA-N -1 1 371.409 2.369 20 0 FEADMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000473767084 561057426 /nfs/dbraw/zinc/05/74/26/561057426.db2.gz SXFNAYZAIQXOJH-UHFFFAOYSA-N -1 1 362.816 2.398 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000474421261 561073613 /nfs/dbraw/zinc/07/36/13/561073613.db2.gz LOJJETLTAFRYBG-UHFFFAOYSA-N -1 1 371.484 2.121 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c1 ZINC000474431635 561073928 /nfs/dbraw/zinc/07/39/28/561073928.db2.gz ONFNTXKHVBTCSL-UHFFFAOYSA-N -1 1 367.427 2.122 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000474518744 561075841 /nfs/dbraw/zinc/07/58/41/561075841.db2.gz OXXTWLJYYMTBRV-UHFFFAOYSA-N -1 1 369.450 2.387 20 0 FEADMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000476376313 561117828 /nfs/dbraw/zinc/11/78/28/561117828.db2.gz RFOKEUDPNQAYIM-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](OC)[C@@H](C)CC)c2)n1 ZINC000477122924 561137227 /nfs/dbraw/zinc/13/72/27/561137227.db2.gz CTXBEXMJNPJQQW-SWLSCSKDSA-N -1 1 374.441 2.326 20 0 FEADMM O=C(c1ccc(-c2csnn2)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000529250988 562366245 /nfs/dbraw/zinc/36/62/45/562366245.db2.gz QZIAKZARZUGMNG-LBPRGKRZSA-N -1 1 357.395 2.314 20 0 FEADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CCOc1ccc(S(C)(=O)=O)cc1 ZINC000530176549 562401512 /nfs/dbraw/zinc/40/15/12/562401512.db2.gz UJUGJOLEUBQREP-CHWSQXEVSA-N -1 1 355.456 2.043 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc4c3CCO4)ccc21 ZINC000530318127 562406628 /nfs/dbraw/zinc/40/66/28/562406628.db2.gz JSRXSORXWBRFHA-UHFFFAOYSA-N -1 1 358.419 2.331 20 0 FEADMM CCC(C)(C)N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000530537422 562415087 /nfs/dbraw/zinc/41/50/87/562415087.db2.gz CZTAPJIEUFLTGZ-UHFFFAOYSA-N -1 1 352.453 2.006 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000530535843 562415217 /nfs/dbraw/zinc/41/52/17/562415217.db2.gz LPWMMTZIBVWBPD-SNVBAGLBSA-N -1 1 351.346 2.469 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@H](O)C3)ccc2C)cc1 ZINC000530773343 562423557 /nfs/dbraw/zinc/42/35/57/562423557.db2.gz HTPWBZLRHUUHSW-QGZVFWFLSA-N -1 1 374.462 2.311 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)ccc1-n1cnnn1 ZINC000530994690 562431116 /nfs/dbraw/zinc/43/11/16/562431116.db2.gz CVDHTFMYLNWPMU-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000531736191 562455206 /nfs/dbraw/zinc/45/52/06/562455206.db2.gz VBBWULYNDVBBBP-OAHLLOKOSA-N -1 1 364.409 2.012 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(Cn3cccn3)cc2)sc1C ZINC000532496208 562479481 /nfs/dbraw/zinc/47/94/81/562479481.db2.gz DWLFEBPNWCASNJ-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM Cc1cc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)n(-c2ccc(F)cc2)n1 ZINC000532711885 562486364 /nfs/dbraw/zinc/48/63/64/562486364.db2.gz OLILRECZHAZXLD-AWEZNQCLSA-N -1 1 374.416 2.445 20 0 FEADMM COCCOc1cccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)c1 ZINC000535175601 562552609 /nfs/dbraw/zinc/55/26/09/562552609.db2.gz QMSWQLWGWYLWNB-UHFFFAOYSA-N -1 1 370.434 2.228 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1C(N)=O ZINC000535656157 562563369 /nfs/dbraw/zinc/56/33/69/562563369.db2.gz SIGYEFASVHRUPK-UHFFFAOYSA-N -1 1 357.391 2.143 20 0 FEADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000536396253 562574606 /nfs/dbraw/zinc/57/46/06/562574606.db2.gz VOXUENWDTPZDTB-UHFFFAOYSA-N -1 1 372.406 2.148 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc4ncccc4c3)cc2N1 ZINC000536460664 562576045 /nfs/dbraw/zinc/57/60/45/562576045.db2.gz YKTXNPPTLKGKOY-UHFFFAOYSA-N -1 1 355.375 2.367 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)o1 ZINC000540737432 562592284 /nfs/dbraw/zinc/59/22/84/562592284.db2.gz WMHRLIIJJRCGMB-LBPRGKRZSA-N -1 1 369.370 2.398 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H]1CCCOC1 ZINC000540975360 562599196 /nfs/dbraw/zinc/59/91/96/562599196.db2.gz VUYASUUFNOMJGR-CZUORRHYSA-N -1 1 367.423 2.069 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ncccc3F)cc3c2N1CCC3 ZINC000541834047 562621021 /nfs/dbraw/zinc/62/10/21/562621021.db2.gz XQLMUFQOSQJSLM-UHFFFAOYSA-N -1 1 361.398 2.247 20 0 FEADMM COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000541842029 562621215 /nfs/dbraw/zinc/62/12/15/562621215.db2.gz HITXECBCXANPLG-INIZCTEOSA-N -1 1 367.409 2.184 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc(OC)c1C(C)C ZINC000541897863 562622602 /nfs/dbraw/zinc/62/26/02/562622602.db2.gz XUWKSYJHNYISJE-GFCCVEGCSA-N -1 1 359.430 2.360 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000545470494 562627629 /nfs/dbraw/zinc/62/76/29/562627629.db2.gz MMHWFNVQPQKFAP-HNNXBMFYSA-N -1 1 374.418 2.032 20 0 FEADMM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Br)o2)cs1 ZINC000546091847 562633544 /nfs/dbraw/zinc/63/35/44/562633544.db2.gz JWYJLBIHNZFYMI-UHFFFAOYSA-N -1 1 351.247 2.328 20 0 FEADMM CC(C)(C)C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(F)cc1 ZINC000546091199 562633450 /nfs/dbraw/zinc/63/34/50/562633450.db2.gz PMIODTPVRZTBSD-AWEZNQCLSA-N -1 1 357.389 2.464 20 0 FEADMM O=C(c1cnc([C@H]2CCCO2)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550101016 562642413 /nfs/dbraw/zinc/64/24/13/562642413.db2.gz IOKUFBZECFTHOJ-SNVBAGLBSA-N -1 1 350.400 2.103 20 0 FEADMM Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000550100037 562642515 /nfs/dbraw/zinc/64/25/15/562642515.db2.gz XJFMEDLMJMPOEQ-UHFFFAOYSA-N -1 1 371.372 2.428 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCCc2ccc(F)c(F)c2)n[n-]1 ZINC000603156201 568068664 /nfs/dbraw/zinc/06/86/64/568068664.db2.gz QYZNBJPEHCLVBD-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCCc2ccc(F)c(F)c2)[n-]1 ZINC000603156201 568068665 /nfs/dbraw/zinc/06/86/65/568068665.db2.gz QYZNBJPEHCLVBD-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCCc2ccc(F)c(F)c2)n1 ZINC000603156201 568068666 /nfs/dbraw/zinc/06/86/66/568068666.db2.gz QYZNBJPEHCLVBD-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(Br)s2)n[n-]1 ZINC000603163192 568069678 /nfs/dbraw/zinc/06/96/78/568069678.db2.gz HBZKYRCMFUCVIO-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(Br)s2)[n-]1 ZINC000603163192 568069679 /nfs/dbraw/zinc/06/96/79/568069679.db2.gz HBZKYRCMFUCVIO-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(Br)s2)n1 ZINC000603163192 568069680 /nfs/dbraw/zinc/06/96/80/568069680.db2.gz HBZKYRCMFUCVIO-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@]2(C)CCCc3ccccc32)n[n-]1 ZINC000603165977 568070120 /nfs/dbraw/zinc/07/01/20/568070120.db2.gz NGWMYPZNDQWZFY-HXPMCKFVSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@]2(C)CCCc3ccccc32)[n-]1 ZINC000603165977 568070121 /nfs/dbraw/zinc/07/01/21/568070121.db2.gz NGWMYPZNDQWZFY-HXPMCKFVSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@]2(C)CCCc3ccccc32)n1 ZINC000603165977 568070122 /nfs/dbraw/zinc/07/01/22/568070122.db2.gz NGWMYPZNDQWZFY-HXPMCKFVSA-N -1 1 356.426 2.453 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(F)c(C)c1 ZINC000603310709 568084681 /nfs/dbraw/zinc/08/46/81/568084681.db2.gz PXFCNQPARUJKFM-GXTWGEPZSA-N -1 1 365.373 2.313 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cc4c([nH]c3=O)CCC4)cnc2n1 ZINC000603550043 568118307 /nfs/dbraw/zinc/11/83/07/568118307.db2.gz JPMNBYYLXAOGQO-UHFFFAOYSA-N -1 1 350.378 2.163 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cc3c([nH]c1=O)CCC3)c2=O ZINC000603550043 568118308 /nfs/dbraw/zinc/11/83/08/568118308.db2.gz JPMNBYYLXAOGQO-UHFFFAOYSA-N -1 1 350.378 2.163 20 0 FEADMM C[C@@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC000563123763 568249911 /nfs/dbraw/zinc/24/99/11/568249911.db2.gz GZYQLDIETHOKJH-ZWNOBZJWSA-N -1 1 355.232 2.430 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000604738206 568359086 /nfs/dbraw/zinc/35/90/86/568359086.db2.gz JZBCGXDUQFDPBV-UHFFFAOYSA-N -1 1 369.464 2.431 20 0 FEADMM Cc1noc(C)c1NC(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000606029940 568631754 /nfs/dbraw/zinc/63/17/54/568631754.db2.gz LJQPBSMMTKCJFA-UHFFFAOYSA-N -1 1 371.393 2.057 20 0 FEADMM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736199869 598840979 /nfs/dbraw/zinc/84/09/79/598840979.db2.gz BKBRIAJJOUZOTA-LLVKDONJSA-N -1 1 361.402 2.388 20 0 FEADMM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736199869 598840980 /nfs/dbraw/zinc/84/09/80/598840980.db2.gz BKBRIAJJOUZOTA-LLVKDONJSA-N -1 1 361.402 2.388 20 0 FEADMM Cc1cccc2c1CCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737410606 598844076 /nfs/dbraw/zinc/84/40/76/598844076.db2.gz VXLGOSCKAZWMNI-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM Cc1cccc2c1CCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737410606 598844077 /nfs/dbraw/zinc/84/40/77/598844077.db2.gz VXLGOSCKAZWMNI-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1C1CCC1 ZINC000738355627 598874650 /nfs/dbraw/zinc/87/46/50/598874650.db2.gz RKNOODOVBDIOPG-LBPRGKRZSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1C1CCC1 ZINC000738355627 598874651 /nfs/dbraw/zinc/87/46/51/598874651.db2.gz RKNOODOVBDIOPG-LBPRGKRZSA-N -1 1 367.862 2.473 20 0 FEADMM CCC[C@H](NC(=O)c1sc([C@@H]2CCCOC2)nc1C)c1nn[n-]n1 ZINC000556557918 674406569 /nfs/dbraw/zinc/40/65/69/674406569.db2.gz USUSHNKMYDXFOS-MNOVXSKESA-N -1 1 350.448 2.130 20 0 FEADMM c1cnn(-c2cc(CNc3c4ccccc4nnc3-c3nnn[n-]3)ccn2)c1 ZINC000738436392 598936938 /nfs/dbraw/zinc/93/69/38/598936938.db2.gz HNLYUICCEVWZBA-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1cnn(-c2cc(CNc3c4ccccc4nnc3-c3nn[n-]n3)ccn2)c1 ZINC000738436392 598936939 /nfs/dbraw/zinc/93/69/39/598936939.db2.gz HNLYUICCEVWZBA-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM CC(=O)N1CCc2cc(Nc3c4ccccc4nnc3-c3nnn[n-]3)ccc21 ZINC000735467209 598955449 /nfs/dbraw/zinc/95/54/49/598955449.db2.gz KAAQADVBDANDLJ-UHFFFAOYSA-N -1 1 372.392 2.463 20 0 FEADMM CC(=O)N1CCc2cc(Nc3c4ccccc4nnc3-c3nn[n-]n3)ccc21 ZINC000735467209 598955451 /nfs/dbraw/zinc/95/54/51/598955451.db2.gz KAAQADVBDANDLJ-UHFFFAOYSA-N -1 1 372.392 2.463 20 0 FEADMM CCc1nc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cs1 ZINC000736704154 598961742 /nfs/dbraw/zinc/96/17/42/598961742.db2.gz JEISEXMWXOPNHD-UHFFFAOYSA-N -1 1 352.427 2.465 20 0 FEADMM CCc1nc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cs1 ZINC000736704154 598961743 /nfs/dbraw/zinc/96/17/43/598961743.db2.gz JEISEXMWXOPNHD-UHFFFAOYSA-N -1 1 352.427 2.465 20 0 FEADMM CC(=O)NCc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000735480864 598968589 /nfs/dbraw/zinc/96/85/89/598968589.db2.gz BUHNLUMWWRGWPZ-UHFFFAOYSA-N -1 1 360.381 2.190 20 0 FEADMM CC(=O)NCc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000735480864 598968591 /nfs/dbraw/zinc/96/85/91/598968591.db2.gz BUHNLUMWWRGWPZ-UHFFFAOYSA-N -1 1 360.381 2.190 20 0 FEADMM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738185865 598988234 /nfs/dbraw/zinc/98/82/34/598988234.db2.gz KCAIQYCDAIUWKR-HNNXBMFYSA-N -1 1 366.381 2.072 20 0 FEADMM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738185865 598988235 /nfs/dbraw/zinc/98/82/35/598988235.db2.gz KCAIQYCDAIUWKR-HNNXBMFYSA-N -1 1 366.381 2.072 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OC(F)F ZINC000736116615 598989083 /nfs/dbraw/zinc/98/90/83/598989083.db2.gz BZZWSMYVYMTQOY-SECBINFHSA-N -1 1 360.324 2.354 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OC(F)F ZINC000736116615 598989084 /nfs/dbraw/zinc/98/90/84/598989084.db2.gz BZZWSMYVYMTQOY-SECBINFHSA-N -1 1 360.324 2.354 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2[nH]1 ZINC000735722290 598991895 /nfs/dbraw/zinc/99/18/95/598991895.db2.gz UILHPOPCEAWMRS-HNNXBMFYSA-N -1 1 362.397 2.265 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2[nH]1 ZINC000735722290 598991897 /nfs/dbraw/zinc/99/18/97/598991897.db2.gz UILHPOPCEAWMRS-HNNXBMFYSA-N -1 1 362.397 2.265 20 0 FEADMM COC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736951888 598992638 /nfs/dbraw/zinc/99/26/38/598992638.db2.gz VDJDGAZADPJPMR-UHFFFAOYSA-N -1 1 374.360 2.454 20 0 FEADMM COC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736951888 598992639 /nfs/dbraw/zinc/99/26/39/598992639.db2.gz VDJDGAZADPJPMR-UHFFFAOYSA-N -1 1 374.360 2.454 20 0 FEADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051006 598997990 /nfs/dbraw/zinc/99/79/90/598997990.db2.gz WWKXWNHACUGKSA-PBHICJAKSA-N -1 1 364.409 2.159 20 0 FEADMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051006 598997992 /nfs/dbraw/zinc/99/79/92/598997992.db2.gz WWKXWNHACUGKSA-PBHICJAKSA-N -1 1 364.409 2.159 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OCC(F)F ZINC000737358850 599001843 /nfs/dbraw/zinc/00/18/43/599001843.db2.gz AJLBFSGUSGJOGF-UHFFFAOYSA-N -1 1 360.324 2.466 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OCC(F)F ZINC000737358850 599001845 /nfs/dbraw/zinc/00/18/45/599001845.db2.gz AJLBFSGUSGJOGF-UHFFFAOYSA-N -1 1 360.324 2.466 20 0 FEADMM CCCCCC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCC ZINC000736447880 599004599 /nfs/dbraw/zinc/00/45/99/599004599.db2.gz VCGUNRMWBOUPIA-SFHVURJKSA-N -1 1 374.445 2.284 20 0 FEADMM CCCCCC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCC ZINC000736447880 599004601 /nfs/dbraw/zinc/00/46/01/599004601.db2.gz VCGUNRMWBOUPIA-SFHVURJKSA-N -1 1 374.445 2.284 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CC1CC1)CC1CC1 ZINC000737199779 599017092 /nfs/dbraw/zinc/01/70/92/599017092.db2.gz JGIMIHRXSAPHKY-UHFFFAOYSA-N -1 1 370.457 2.165 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nnc(C3CC3)o2)c2ccc(Cl)cc12 ZINC000823656826 599126648 /nfs/dbraw/zinc/12/66/48/599126648.db2.gz JUEXLUUAVPIUCJ-UHFFFAOYSA-N -1 1 369.772 2.144 20 0 FEADMM CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735594920 599177634 /nfs/dbraw/zinc/17/76/34/599177634.db2.gz CJSFGGMIALAFDM-GFCCVEGCSA-N -1 1 364.475 2.099 20 0 FEADMM CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735594920 599177636 /nfs/dbraw/zinc/17/76/36/599177636.db2.gz CJSFGGMIALAFDM-GFCCVEGCSA-N -1 1 364.475 2.099 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC(F)(F)F ZINC000822540735 599216612 /nfs/dbraw/zinc/21/66/12/599216612.db2.gz FRFRUAGLSFYPPW-UHFFFAOYSA-N -1 1 354.292 2.241 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC(F)(F)F ZINC000822540735 599216615 /nfs/dbraw/zinc/21/66/15/599216615.db2.gz FRFRUAGLSFYPPW-UHFFFAOYSA-N -1 1 354.292 2.241 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737200938 599224074 /nfs/dbraw/zinc/22/40/74/599224074.db2.gz OKNFDMKKOGLUHZ-ZFWWWQNUSA-N -1 1 370.457 2.308 20 0 FEADMM CCCN1CCN(c2ccc(NC(=O)N[C@H](C)C(=O)[O-])cc2Cl)CC1 ZINC000818176394 597174680 /nfs/dbraw/zinc/17/46/80/597174680.db2.gz WYYFJMMKHUDLJR-GFCCVEGCSA-N -1 1 368.865 2.467 20 0 FEADMM O=C([O-])Cc1ccccc1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000819608822 597340390 /nfs/dbraw/zinc/34/03/90/597340390.db2.gz CNRBQLHJTLBSFJ-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM CCOC1CC(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000807707251 674424901 /nfs/dbraw/zinc/42/49/01/674424901.db2.gz NETZTHMHYHUOIF-QOKXSHCXSA-N -1 1 350.381 2.106 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000823483150 607324484 /nfs/dbraw/zinc/32/44/84/607324484.db2.gz DFGORQKYXKEZTJ-GFCCVEGCSA-N -1 1 359.411 2.343 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000823483150 607324485 /nfs/dbraw/zinc/32/44/85/607324485.db2.gz DFGORQKYXKEZTJ-GFCCVEGCSA-N -1 1 359.411 2.343 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340526 598260177 /nfs/dbraw/zinc/26/01/77/598260177.db2.gz XGEYNXIUJSYOLY-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340526 598260178 /nfs/dbraw/zinc/26/01/78/598260178.db2.gz XGEYNXIUJSYOLY-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM CC(C)(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597393 598262953 /nfs/dbraw/zinc/26/29/53/598262953.db2.gz OAFLGDQAEXCCDA-STQMWFEESA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597393 598262954 /nfs/dbraw/zinc/26/29/54/598262954.db2.gz OAFLGDQAEXCCDA-STQMWFEESA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)CC(=O)Nc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000735756400 598347333 /nfs/dbraw/zinc/34/73/33/598347333.db2.gz NJQOHZLYLDKUHB-UHFFFAOYSA-N -1 1 352.402 2.253 20 0 FEADMM CC(C)CC(=O)Nc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000735756400 598347335 /nfs/dbraw/zinc/34/73/35/598347335.db2.gz NJQOHZLYLDKUHB-UHFFFAOYSA-N -1 1 352.402 2.253 20 0 FEADMM Cc1oc(NC(=O)COC(=O)CC2=CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737553599 598410884 /nfs/dbraw/zinc/41/08/84/598410884.db2.gz XVTNECSUJDDPIA-UHFFFAOYSA-N -1 1 359.386 2.449 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCCOCC2CC2)c1-c1nn[n-]n1 ZINC000737189972 598496252 /nfs/dbraw/zinc/49/62/52/598496252.db2.gz SJPXSXDTLFBAMQ-UHFFFAOYSA-N -1 1 374.470 2.017 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(Cl)nn1 ZINC000737548895 598503965 /nfs/dbraw/zinc/50/39/65/598503965.db2.gz QBEKGUAURMFSRP-UHFFFAOYSA-N -1 1 370.760 2.255 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(Cl)nn1 ZINC000737548895 598503967 /nfs/dbraw/zinc/50/39/67/598503967.db2.gz QBEKGUAURMFSRP-UHFFFAOYSA-N -1 1 370.760 2.255 20 0 FEADMM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)N1CCCc2ccccc21 ZINC000737898925 598577974 /nfs/dbraw/zinc/57/79/74/598577974.db2.gz NBBOQFMCGXEUMY-UHFFFAOYSA-N -1 1 369.816 2.306 20 0 FEADMM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)N1CCCc2ccccc21 ZINC000737898925 598577976 /nfs/dbraw/zinc/57/79/76/598577976.db2.gz NBBOQFMCGXEUMY-UHFFFAOYSA-N -1 1 369.816 2.306 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-c2nn[nH]n2)c1)c1cccc2ncccc21 ZINC000738342115 598594409 /nfs/dbraw/zinc/59/44/09/598594409.db2.gz LFVPYIJPPZZJGD-UHFFFAOYSA-N -1 1 370.369 2.355 20 0 FEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@@H]2CCOCO2)n1 ZINC000737246505 598634880 /nfs/dbraw/zinc/63/48/80/598634880.db2.gz VLPXGPPOEGPYHO-QMMMGPOBSA-N -1 1 361.349 2.444 20 0 FEADMM CCc1nn(CC(=O)c2ccc(C)c(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706005 598643232 /nfs/dbraw/zinc/64/32/32/598643232.db2.gz RRBKHOAKVRJKBE-UHFFFAOYSA-N -1 1 366.425 2.048 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000736289801 598686189 /nfs/dbraw/zinc/68/61/89/598686189.db2.gz NRPJNTCAZDTYMM-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM CC[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)OC ZINC000557548826 674453368 /nfs/dbraw/zinc/45/33/68/674453368.db2.gz ZXSYCDSKZFYBCS-LBPRGKRZSA-N -1 1 371.409 2.998 20 0 FEADMM Cc1cccc(OC[C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737402279 598746997 /nfs/dbraw/zinc/74/69/97/598746997.db2.gz UQSASPLDTPYKJN-VIFPVBQESA-N -1 1 366.834 2.137 20 0 FEADMM Cc1cccc(OC[C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737402279 598746999 /nfs/dbraw/zinc/74/69/99/598746999.db2.gz UQSASPLDTPYKJN-VIFPVBQESA-N -1 1 366.834 2.137 20 0 FEADMM CCOC(=O)N1CCC(S(=O)(=O)[N-]C2(C(F)F)CCCC2)CC1 ZINC000808347041 674455252 /nfs/dbraw/zinc/45/52/52/674455252.db2.gz XXNBRVOCXYODBH-UHFFFAOYSA-N -1 1 354.419 2.105 20 0 FEADMM C[C@H]1SCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC000736300902 599324397 /nfs/dbraw/zinc/32/43/97/599324397.db2.gz HIYZWEJRZHJEOK-RKDXNWHRSA-N -1 1 373.891 2.035 20 0 FEADMM C[C@H]1SCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC000736300902 599324400 /nfs/dbraw/zinc/32/44/00/599324400.db2.gz HIYZWEJRZHJEOK-RKDXNWHRSA-N -1 1 373.891 2.035 20 0 FEADMM Clc1cc(CCNc2cccc(-c3nnn[n-]3)n2)cc2c1OCCO2 ZINC000737567050 599399795 /nfs/dbraw/zinc/39/97/95/599399795.db2.gz WZSOBKWIMAZDRX-UHFFFAOYSA-N -1 1 358.789 2.341 20 0 FEADMM Clc1cc(CCNc2cccc(-c3nn[n-]n3)n2)cc2c1OCCO2 ZINC000737567050 599399799 /nfs/dbraw/zinc/39/97/99/599399799.db2.gz WZSOBKWIMAZDRX-UHFFFAOYSA-N -1 1 358.789 2.341 20 0 FEADMM CCCCCCNC(=O)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000736445447 599421646 /nfs/dbraw/zinc/42/16/46/599421646.db2.gz ANBMOBDBIAABIG-CQSZACIVSA-N -1 1 357.462 2.175 20 0 FEADMM CCCCCCNC(=O)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000736445447 599421650 /nfs/dbraw/zinc/42/16/50/599421650.db2.gz ANBMOBDBIAABIG-CQSZACIVSA-N -1 1 357.462 2.175 20 0 FEADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nc(-c2cccc(F)c2)no1 ZINC000820432589 599462738 /nfs/dbraw/zinc/46/27/38/599462738.db2.gz QQCRBRCYKRDJGC-SECBINFHSA-N -1 1 355.333 2.500 20 0 FEADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nc(-c2cccc(F)c2)no1 ZINC000820432589 599462741 /nfs/dbraw/zinc/46/27/41/599462741.db2.gz QQCRBRCYKRDJGC-SECBINFHSA-N -1 1 355.333 2.500 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000821979838 599486813 /nfs/dbraw/zinc/48/68/13/599486813.db2.gz ZFSRAOHJLOEPBT-HBNTYKKESA-N -1 1 374.470 2.388 20 0 FEADMM Cc1cnn(CC2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)c1 ZINC000822403672 599536914 /nfs/dbraw/zinc/53/69/14/599536914.db2.gz RRQPMVQCNHVRAL-UHFFFAOYSA-N -1 1 364.866 2.398 20 0 FEADMM Cc1cnn(CC2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC000822403672 599536917 /nfs/dbraw/zinc/53/69/17/599536917.db2.gz RRQPMVQCNHVRAL-UHFFFAOYSA-N -1 1 364.866 2.398 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCSC[C@@H]1C ZINC000737549196 599558454 /nfs/dbraw/zinc/55/84/54/599558454.db2.gz TVUHNFGNZFJDQK-JTQLQIEISA-N -1 1 358.427 2.136 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCSC[C@@H]1C ZINC000737549196 599558451 /nfs/dbraw/zinc/55/84/51/599558451.db2.gz TVUHNFGNZFJDQK-JTQLQIEISA-N -1 1 358.427 2.136 20 0 FEADMM Cc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738708254 599779796 /nfs/dbraw/zinc/77/97/96/599779796.db2.gz LRBFRZSRTRGYCR-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)c1 ZINC000738142589 599817258 /nfs/dbraw/zinc/81/72/58/599817258.db2.gz BCYHEVABAKYABG-UHFFFAOYSA-N -1 1 374.372 2.282 20 0 FEADMM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CCCC[C@H]1CC(=O)[O-])C2=O ZINC000736751982 599841302 /nfs/dbraw/zinc/84/13/02/599841302.db2.gz ZBJIPPCSKZNLLY-BIENJYKASA-N -1 1 365.474 2.410 20 0 FEADMM COC(=O)c1cc(NC(=O)CNC2(c3ccccc3)CC2)cc(C(=O)[O-])c1 ZINC000737667552 599875381 /nfs/dbraw/zinc/87/53/81/599875381.db2.gz RRNLRIJLCRGBHL-UHFFFAOYSA-N -1 1 368.389 2.389 20 0 FEADMM CN(C)c1ncccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737383709 599883215 /nfs/dbraw/zinc/88/32/15/599883215.db2.gz KIIIVRPVBRCMAC-UHFFFAOYSA-N -1 1 355.803 2.300 20 0 FEADMM Cc1cc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)ccc1C(=O)[O-] ZINC000738451826 599950371 /nfs/dbraw/zinc/95/03/71/599950371.db2.gz LQTSOBZCXXJXBH-UHFFFAOYSA-N -1 1 369.402 2.481 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737358791 600019101 /nfs/dbraw/zinc/01/91/01/600019101.db2.gz QEQYDODNSFUAAM-AVVWSFFYSA-N -1 1 351.422 2.371 20 0 FEADMM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2[nH]nc3c2CCCC3)c(C)c1C(=O)[O-] ZINC000738237274 600087838 /nfs/dbraw/zinc/08/78/38/600087838.db2.gz SRDUEKNDNNXZGX-JTQLQIEISA-N -1 1 359.382 2.360 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)n[nH]1 ZINC000738906798 600195270 /nfs/dbraw/zinc/19/52/70/600195270.db2.gz YREMPURVUQKFSX-KRWDZBQOSA-N -1 1 367.409 2.325 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000737400790 600217957 /nfs/dbraw/zinc/21/79/57/600217957.db2.gz ALLQRLCCHFMTJY-AWEZNQCLSA-N -1 1 356.875 2.363 20 0 FEADMM Cc1cc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c(C(=O)[O-])[nH]1 ZINC000738428447 600253097 /nfs/dbraw/zinc/25/30/97/600253097.db2.gz UZNNKOVEBKLBDP-UHFFFAOYSA-N -1 1 372.406 2.049 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736218291 600287887 /nfs/dbraw/zinc/28/78/87/600287887.db2.gz MOEFLTUEENYKFA-UKRRQHHQSA-N -1 1 374.437 2.362 20 0 FEADMM CCN(CCC(=O)NCC(=O)[O-])Cc1cc(Br)ccc1F ZINC000737093520 600294488 /nfs/dbraw/zinc/29/44/88/600294488.db2.gz HZBZPWXHQRTREU-UHFFFAOYSA-N -1 1 361.211 2.001 20 0 FEADMM CC1(C)C(=O)Nc2ccccc2N1C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736727515 600319051 /nfs/dbraw/zinc/31/90/51/600319051.db2.gz DDGGBQPTEYUMNC-UHFFFAOYSA-N -1 1 359.426 2.127 20 0 FEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000740145244 600392250 /nfs/dbraw/zinc/39/22/50/600392250.db2.gz PQAYHICNYGBBPE-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM C[C@H](C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)N1CCCCCC1 ZINC000736216483 600404556 /nfs/dbraw/zinc/40/45/56/600404556.db2.gz QQZUBUUFIPZPAJ-CQSZACIVSA-N -1 1 361.442 2.094 20 0 FEADMM O=C([O-])c1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000392057938 600513544 /nfs/dbraw/zinc/51/35/44/600513544.db2.gz VGLIJICIHOFSPR-RYUDHWBXSA-N -1 1 353.806 2.023 20 0 FEADMM C[C@@H](O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000736677733 600515821 /nfs/dbraw/zinc/51/58/21/600515821.db2.gz OZQBQVICJFCDFR-CYBMUJFWSA-N -1 1 361.467 2.007 20 0 FEADMM CC1(C)CCCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000736732819 600541755 /nfs/dbraw/zinc/54/17/55/600541755.db2.gz QSAVIGGBBOGEHD-KRWDZBQOSA-N -1 1 357.454 2.402 20 0 FEADMM CCOC(=O)c1sc(NC(=O)CNC2(C(=O)[O-])CCCC2)cc1C ZINC000566301131 600558848 /nfs/dbraw/zinc/55/88/48/600558848.db2.gz LBHWPKFQLLKWPI-UHFFFAOYSA-N -1 1 354.428 2.159 20 0 FEADMM O=C([O-])c1ccc(F)c(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000739215763 600584926 /nfs/dbraw/zinc/58/49/26/600584926.db2.gz FTPWACGVSCOPJQ-UHFFFAOYSA-N -1 1 350.390 2.498 20 0 FEADMM Cc1ccccc1CN1CCCN(C(=O)CSC[C@H](C)C(=O)[O-])CC1 ZINC000738769413 600598717 /nfs/dbraw/zinc/59/87/17/600598717.db2.gz BKVOUSJBSMDGKU-INIZCTEOSA-N -1 1 364.511 2.483 20 0 FEADMM CCOc1ccc(-c2nc(Cn3cccc(-c4nn[n-]n4)c3=O)co2)cc1 ZINC000821400593 607466290 /nfs/dbraw/zinc/46/62/90/607466290.db2.gz MBYPWIWUPZBHGS-UHFFFAOYSA-N -1 1 364.365 2.130 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)[nH]c2c1 ZINC000832958652 600792186 /nfs/dbraw/zinc/79/21/86/600792186.db2.gz FIJSSNRDWQFWQU-UHFFFAOYSA-N -1 1 359.407 2.356 20 0 FEADMM CCOC[C@@H]1CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829984833 600797528 /nfs/dbraw/zinc/79/75/28/600797528.db2.gz ROWPTWFJZSFPSY-OCCSQVGLSA-N -1 1 352.456 2.300 20 0 FEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2nnc(C)[nH]2)cc1 ZINC000832777155 600838234 /nfs/dbraw/zinc/83/82/34/600838234.db2.gz FHWTZBZAZQCPKZ-LBPRGKRZSA-N -1 1 366.468 2.259 20 0 FEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2nc(C)n[nH]2)cc1 ZINC000832777155 600838237 /nfs/dbraw/zinc/83/82/37/600838237.db2.gz FHWTZBZAZQCPKZ-LBPRGKRZSA-N -1 1 366.468 2.259 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnccc2-n2cccn2)ccc1C(=O)[O-] ZINC000832904225 600978880 /nfs/dbraw/zinc/97/88/80/600978880.db2.gz ACGPODCFVKIRBK-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM Cc1nnc(SCCC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])[nH]1 ZINC000833021951 600979198 /nfs/dbraw/zinc/97/91/98/600979198.db2.gz UCEFEMBZXBQDLL-KGLIPLIRSA-N -1 1 366.487 2.477 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1 ZINC000630223663 601089145 /nfs/dbraw/zinc/08/91/45/601089145.db2.gz LNDMJPFQXXPUEY-ZDUSSCGKSA-N -1 1 370.396 2.228 20 0 FEADMM Cc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1-n1cccc1 ZINC000832910816 601089735 /nfs/dbraw/zinc/08/97/35/601089735.db2.gz CTBZCMRWIGRYSB-INIZCTEOSA-N -1 1 355.438 2.407 20 0 FEADMM Cc1ccc2[nH]cc(CCC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c2c1 ZINC000630223431 601096247 /nfs/dbraw/zinc/09/62/47/601096247.db2.gz JICCQNYSAVYIDE-HNNXBMFYSA-N -1 1 357.454 2.416 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 ZINC000827368742 601103793 /nfs/dbraw/zinc/10/37/93/601103793.db2.gz IXVYSDNDXGNWNZ-INIZCTEOSA-N -1 1 355.438 2.027 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2nc3ccccc3s2)CC1 ZINC000827355643 601107160 /nfs/dbraw/zinc/10/71/60/601107160.db2.gz LMRDSJZTXKLUIH-FWWRYZNZSA-N -1 1 359.451 2.317 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000832918679 601118354 /nfs/dbraw/zinc/11/83/54/601118354.db2.gz XXOHORDYPDHBDM-CABCVRRESA-N -1 1 370.453 2.318 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000827368552 601124060 /nfs/dbraw/zinc/12/40/60/601124060.db2.gz GEAGCVYCRJSHJV-LLVKDONJSA-N -1 1 357.357 2.301 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 ZINC000827369375 601129277 /nfs/dbraw/zinc/12/92/77/601129277.db2.gz WQXCNPNGUWGNIS-LBPRGKRZSA-N -1 1 368.865 2.419 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000827378848 601161046 /nfs/dbraw/zinc/16/10/46/601161046.db2.gz ASIMHJDQUXVAHR-SNVBAGLBSA-N -1 1 362.323 2.466 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC000826785815 601196202 /nfs/dbraw/zinc/19/62/02/601196202.db2.gz FIRGBJDEVXSUPK-SOUVJXGZSA-N -1 1 368.499 2.252 20 0 FEADMM COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000831059684 601205536 /nfs/dbraw/zinc/20/55/36/601205536.db2.gz JJZQYMICJPFBIU-FZKQIMNGSA-N -1 1 370.405 2.463 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)N1CCCC[C@@H]1C ZINC000737748590 601218189 /nfs/dbraw/zinc/21/81/89/601218189.db2.gz AXZOWVVXARYWKG-NWDGAFQWSA-N -1 1 358.435 2.065 20 0 FEADMM O=C([O-])CC1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000326534985 601265942 /nfs/dbraw/zinc/26/59/42/601265942.db2.gz IUHYPCACSHQJKY-UHFFFAOYSA-N -1 1 360.363 2.190 20 0 FEADMM O=C([O-])Nc1cc(NC(=O)N2CCN(C3CCOCC3)CC2)ccc1F ZINC000833283503 601312433 /nfs/dbraw/zinc/31/24/33/601312433.db2.gz RTTRQWFUTYNERN-UHFFFAOYSA-N -1 1 366.393 2.244 20 0 FEADMM Cc1nnc(-c2ccc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2)o1 ZINC000833017211 601315211 /nfs/dbraw/zinc/31/52/11/601315211.db2.gz AFWMUUTUXLUVSP-GFCCVEGCSA-N -1 1 373.413 2.058 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc12 ZINC000738390298 601332285 /nfs/dbraw/zinc/33/22/85/601332285.db2.gz FNVQSHXRUZRCJR-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM O=C([O-])c1c(CN2C[C@@H](O)[C@@H](O)C2)nc2ccccc2c1-c1ccccc1 ZINC000833294888 601389056 /nfs/dbraw/zinc/38/90/56/601389056.db2.gz JSZSPRILTXPKGL-HDICACEKSA-N -1 1 364.401 2.137 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000830582218 601417016 /nfs/dbraw/zinc/41/70/16/601417016.db2.gz ZWXMORUDOMREHZ-OAHLLOKOSA-N -1 1 351.422 2.373 20 0 FEADMM c1cc(CNC2(c3noc(C4CC4)n3)CCCC2)cc(-c2nnn[n-]2)n1 ZINC000826515645 607509940 /nfs/dbraw/zinc/50/99/40/607509940.db2.gz GCHWGEGSGYHJTG-UHFFFAOYSA-N -1 1 352.402 2.081 20 0 FEADMM c1cc(CNC2(c3noc(C4CC4)n3)CCCC2)cc(-c2nn[n-]n2)n1 ZINC000826515645 607509941 /nfs/dbraw/zinc/50/99/41/607509941.db2.gz GCHWGEGSGYHJTG-UHFFFAOYSA-N -1 1 352.402 2.081 20 0 FEADMM C[C@H](CCO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824406692 607510699 /nfs/dbraw/zinc/51/06/99/607510699.db2.gz QCJNEDLNOTVXSP-LLVKDONJSA-N -1 1 371.372 2.299 20 0 FEADMM C[C@H](CCO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824406692 607510701 /nfs/dbraw/zinc/51/07/01/607510701.db2.gz QCJNEDLNOTVXSP-LLVKDONJSA-N -1 1 371.372 2.299 20 0 FEADMM Cc1cc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832861109 601564726 /nfs/dbraw/zinc/56/47/26/601564726.db2.gz VWRORQOMPBORSX-NVXWUHKLSA-N -1 1 360.454 2.466 20 0 FEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827942444 601626216 /nfs/dbraw/zinc/62/62/16/601626216.db2.gz SEGVSEULWDNIMC-LLVKDONJSA-N -1 1 366.414 2.364 20 0 FEADMM OCCN(CCc1ccccc1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826509701 607522149 /nfs/dbraw/zinc/52/21/49/607522149.db2.gz FYBDLJDANIUOLZ-UHFFFAOYSA-N -1 1 360.421 2.456 20 0 FEADMM OCCN(CCc1ccccc1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826509701 607522151 /nfs/dbraw/zinc/52/21/51/607522151.db2.gz FYBDLJDANIUOLZ-UHFFFAOYSA-N -1 1 360.421 2.456 20 0 FEADMM CCOC1CC(N(C)C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C1 ZINC000558344926 674492000 /nfs/dbraw/zinc/49/20/00/674492000.db2.gz XLBQQJSPPBULAZ-UHFFFAOYSA-N -1 1 371.459 2.098 20 0 FEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000826496458 607528711 /nfs/dbraw/zinc/52/87/11/607528711.db2.gz WWZMBIHYSYNJFI-NRFANRHFSA-N -1 1 364.228 2.332 20 0 FEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000826496458 607528713 /nfs/dbraw/zinc/52/87/13/607528713.db2.gz WWZMBIHYSYNJFI-NRFANRHFSA-N -1 1 364.228 2.332 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000821446500 601881487 /nfs/dbraw/zinc/88/14/87/601881487.db2.gz QIBNFEZHUOAYHW-UHFFFAOYSA-N -1 1 351.366 2.169 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000821446500 601881489 /nfs/dbraw/zinc/88/14/89/601881489.db2.gz QIBNFEZHUOAYHW-UHFFFAOYSA-N -1 1 351.366 2.169 20 0 FEADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])c1Br ZINC000740203270 602007139 /nfs/dbraw/zinc/00/71/39/602007139.db2.gz JFRPTNHGSZGTGB-CBAPKCEASA-N -1 1 359.224 2.131 20 0 FEADMM CCOC(=O)Cc1csc(SCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000825518326 607540316 /nfs/dbraw/zinc/54/03/16/607540316.db2.gz XPAGNDQZEXCHRE-UHFFFAOYSA-N -1 1 362.440 2.116 20 0 FEADMM CCOC(=O)Cc1csc(SCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000825518326 607540318 /nfs/dbraw/zinc/54/03/18/607540318.db2.gz XPAGNDQZEXCHRE-UHFFFAOYSA-N -1 1 362.440 2.116 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000740119610 602060053 /nfs/dbraw/zinc/06/00/53/602060053.db2.gz XYRHKFZYYNXQTA-OAHLLOKOSA-N -1 1 364.446 2.167 20 0 FEADMM C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738981394 602085910 /nfs/dbraw/zinc/08/59/10/602085910.db2.gz QTLZXZQBUIMDMZ-KCQAQPDRSA-N -1 1 368.503 2.429 20 0 FEADMM C[C@@H](Oc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1)C(=O)[O-] ZINC000827884353 602127037 /nfs/dbraw/zinc/12/70/37/602127037.db2.gz IIZBXRVSZIOZTB-MEBBXXQBSA-N -1 1 351.366 2.385 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000833317640 602226904 /nfs/dbraw/zinc/22/69/04/602226904.db2.gz ZXPJCUXIZOBDKX-LLVKDONJSA-N -1 1 355.803 2.117 20 0 FEADMM CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000382275819 602327109 /nfs/dbraw/zinc/32/71/09/602327109.db2.gz FZMXQSIXPPEPPA-KRWDZBQOSA-N -1 1 374.462 2.280 20 0 FEADMM CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000382275819 602327110 /nfs/dbraw/zinc/32/71/10/602327110.db2.gz FZMXQSIXPPEPPA-KRWDZBQOSA-N -1 1 374.462 2.280 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1F)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738630937 602382226 /nfs/dbraw/zinc/38/22/26/602382226.db2.gz TWNKCDBQKUURCG-ZDUSSCGKSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738631958 602386496 /nfs/dbraw/zinc/38/64/96/602386496.db2.gz XQJIGCMKSJURCR-CQSZACIVSA-N -1 1 365.449 2.195 20 0 FEADMM CN(CC1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1)C(=O)[O-] ZINC000739659555 602387881 /nfs/dbraw/zinc/38/78/81/602387881.db2.gz DOOZADYUSUGJII-UHFFFAOYSA-N -1 1 363.502 2.393 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1F)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738631444 602399646 /nfs/dbraw/zinc/39/96/46/602399646.db2.gz VWEUEDMZKIUAJV-KBPBESRZSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000739021278 602446881 /nfs/dbraw/zinc/44/68/81/602446881.db2.gz BUDBPSQNHZNPEB-CYBMUJFWSA-N -1 1 367.877 2.367 20 0 FEADMM CCCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825276322 607570342 /nfs/dbraw/zinc/57/03/42/607570342.db2.gz VOETWJHNULTPBN-UHFFFAOYSA-N -1 1 363.365 2.354 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000738126178 602519240 /nfs/dbraw/zinc/51/92/40/602519240.db2.gz DESIWDRPVWJQLI-UHFFFAOYSA-N -1 1 356.382 2.143 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739057698 602542807 /nfs/dbraw/zinc/54/28/07/602542807.db2.gz MTEHXZATKBMYQT-OLZOCXBDSA-N -1 1 369.412 2.416 20 0 FEADMM CCCN(CC(=O)N1CCc2sccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351893 602544037 /nfs/dbraw/zinc/54/40/37/602544037.db2.gz AZWLVKYZVJEQIN-AWEZNQCLSA-N -1 1 351.472 2.097 20 0 FEADMM CCCCOCCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825290765 607575274 /nfs/dbraw/zinc/57/52/74/607575274.db2.gz HMMLNBDTGNGAAB-UHFFFAOYSA-N -1 1 373.866 2.005 20 0 FEADMM CCCCOCCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825290765 607575275 /nfs/dbraw/zinc/57/52/75/607575275.db2.gz HMMLNBDTGNGAAB-UHFFFAOYSA-N -1 1 373.866 2.005 20 0 FEADMM CCOc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825643293 607575359 /nfs/dbraw/zinc/57/53/59/607575359.db2.gz LCDCHXWOYMPDRK-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCOc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825643293 607575361 /nfs/dbraw/zinc/57/53/61/607575361.db2.gz LCDCHXWOYMPDRK-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739183708 602601455 /nfs/dbraw/zinc/60/14/55/602601455.db2.gz SMGMFVFKQIBWHQ-STQMWFEESA-N -1 1 350.419 2.397 20 0 FEADMM CCN(CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000739429796 602610300 /nfs/dbraw/zinc/61/03/00/602610300.db2.gz BCTASSNVHMPKIR-AWEZNQCLSA-N -1 1 352.435 2.106 20 0 FEADMM C[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)N1CCc2ccccc2C1 ZINC000738938331 602697658 /nfs/dbraw/zinc/69/76/58/602697658.db2.gz COGAMWBVFCFIMZ-GFCCVEGCSA-N -1 1 374.466 2.087 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739502247 602773147 /nfs/dbraw/zinc/77/31/47/602773147.db2.gz PUSLOUXETUZWHJ-PBHICJAKSA-N -1 1 363.458 2.022 20 0 FEADMM C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171505 602774308 /nfs/dbraw/zinc/77/43/08/602774308.db2.gz CDAGENLVMKOARB-CKEIUWERSA-N -1 1 372.469 2.193 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826283257 607592744 /nfs/dbraw/zinc/59/27/44/607592744.db2.gz NODYVXMGCIXXHI-LLVKDONJSA-N -1 1 361.402 2.354 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826283257 607592745 /nfs/dbraw/zinc/59/27/45/607592745.db2.gz NODYVXMGCIXXHI-LLVKDONJSA-N -1 1 361.402 2.354 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739138350 602928648 /nfs/dbraw/zinc/92/86/48/602928648.db2.gz RTVSJDMHUDVZCS-AGIUHOORSA-N -1 1 354.476 2.038 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739604733 602960544 /nfs/dbraw/zinc/96/05/44/602960544.db2.gz ACHXOSPJUJTHMF-CVEARBPZSA-N -1 1 366.437 2.260 20 0 FEADMM O=C([O-])N[C@H](CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 ZINC000740538918 603026782 /nfs/dbraw/zinc/02/67/82/603026782.db2.gz RXOGDXAMOORPBB-MRXNPFEDSA-N -1 1 351.362 2.267 20 0 FEADMM CN(C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1)C(=O)[O-] ZINC000739658564 603083831 /nfs/dbraw/zinc/08/38/31/603083831.db2.gz FKBRINZKBNSFRX-IUODEOHRSA-N -1 1 351.834 2.377 20 0 FEADMM CN(C[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1)C(=O)[O-] ZINC000739658564 603083835 /nfs/dbraw/zinc/08/38/35/603083835.db2.gz FKBRINZKBNSFRX-IUODEOHRSA-N -1 1 351.834 2.377 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739532793 603132117 /nfs/dbraw/zinc/13/21/17/603132117.db2.gz YYMVTQSMCGTDGF-KGLIPLIRSA-N -1 1 373.375 2.442 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1cccc(F)c1 ZINC000739605980 603144224 /nfs/dbraw/zinc/14/42/24/603144224.db2.gz DJWKAXONXKSOAN-UYSNPLJNSA-N -1 1 366.437 2.306 20 0 FEADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826294296 607610624 /nfs/dbraw/zinc/61/06/24/607610624.db2.gz NSRYZQDTWBGUDP-CQSZACIVSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826294296 607610625 /nfs/dbraw/zinc/61/06/25/607610625.db2.gz NSRYZQDTWBGUDP-CQSZACIVSA-N -1 1 373.413 2.280 20 0 FEADMM CN(C)Cc1cc(CNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)ccc1F ZINC000739610591 603268515 /nfs/dbraw/zinc/26/85/15/603268515.db2.gz WLQNTDXNDLZGJM-ZFWWWQNUSA-N -1 1 351.422 2.330 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CN(C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739906656 603322453 /nfs/dbraw/zinc/32/24/53/603322453.db2.gz MLGBTUOSOUMIPG-LLVKDONJSA-N -1 1 355.822 2.219 20 0 FEADMM O=C([O-])N1CC[C@@H](CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000740468289 603351227 /nfs/dbraw/zinc/35/12/27/603351227.db2.gz ZWVNFISCGQEPCO-WMLDXEAASA-N -1 1 373.453 2.414 20 0 FEADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)CC1CC1 ZINC000831459923 603362860 /nfs/dbraw/zinc/36/28/60/603362860.db2.gz HGOJGJCMGFJGCP-UHFFFAOYSA-N -1 1 363.433 2.296 20 0 FEADMM C[C@H]1CN(CCC(=O)Nc2ccccc2Br)CCN1C(=O)[O-] ZINC000739181362 603368907 /nfs/dbraw/zinc/36/89/07/603368907.db2.gz IWOTVXRBMSSBOM-NSHDSACASA-N -1 1 370.247 2.462 20 0 FEADMM CC(C)(C)c1nnc(SC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])[nH]1 ZINC000823870249 603397898 /nfs/dbraw/zinc/39/78/98/603397898.db2.gz SQPLPGURWUNUKR-STQMWFEESA-N -1 1 364.471 2.434 20 0 FEADMM CC(C)(C)c1nc(SC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])n[nH]1 ZINC000823870249 603397902 /nfs/dbraw/zinc/39/79/02/603397902.db2.gz SQPLPGURWUNUKR-STQMWFEESA-N -1 1 364.471 2.434 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)n[nH]1 ZINC000830846823 603480207 /nfs/dbraw/zinc/48/02/07/603480207.db2.gz SCRVFTMYSFDRLL-UHFFFAOYSA-N -1 1 374.445 2.078 20 0 FEADMM C[C@H](C(=O)N(C)C1CCC(NC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000823656309 603485029 /nfs/dbraw/zinc/48/50/29/603485029.db2.gz YKEHXBOFLCZXGG-RWBZWWBESA-N -1 1 359.470 2.470 20 0 FEADMM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)CSc1n[nH]c(=S)s1 ZINC000824175554 603491436 /nfs/dbraw/zinc/49/14/36/603491436.db2.gz BHGLOFZMOQNWQY-GFCCVEGCSA-N -1 1 364.518 2.108 20 0 FEADMM CCN(CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1)C(=O)[O-] ZINC000827089738 603503461 /nfs/dbraw/zinc/50/34/61/603503461.db2.gz SJOJZFDXIDGTDY-MRXNPFEDSA-N -1 1 361.486 2.446 20 0 FEADMM CN(CCCNC(=O)[O-])[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000828301671 603564280 /nfs/dbraw/zinc/56/42/80/603564280.db2.gz DJXQEPAXJZSMIY-AWEZNQCLSA-N -1 1 371.384 2.373 20 0 FEADMM COC(=O)c1ccc(OCCN2CC[C@H](NC(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000828789389 603567769 /nfs/dbraw/zinc/56/77/69/603567769.db2.gz WESXMYRPYNVRQB-RISCZKNCSA-N -1 1 370.833 2.483 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000824641226 607645369 /nfs/dbraw/zinc/64/53/69/607645369.db2.gz UCXQOYXUNLSMHY-SNVBAGLBSA-N -1 1 353.423 2.253 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccccc3O)cc2)n1 ZINC000832730282 603736598 /nfs/dbraw/zinc/73/65/98/603736598.db2.gz RFLYLVBYNPDNSA-UHFFFAOYSA-N -1 1 353.338 2.197 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccccc3O)cc2)n[nH]1 ZINC000832730282 603736601 /nfs/dbraw/zinc/73/66/01/603736601.db2.gz RFLYLVBYNPDNSA-UHFFFAOYSA-N -1 1 353.338 2.197 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488176 607649574 /nfs/dbraw/zinc/64/95/74/607649574.db2.gz JTQRQGHKSCJGST-QJPTWQEYSA-N -1 1 365.434 2.253 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488176 607649576 /nfs/dbraw/zinc/64/95/76/607649576.db2.gz JTQRQGHKSCJGST-QJPTWQEYSA-N -1 1 365.434 2.253 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000827889095 603820494 /nfs/dbraw/zinc/82/04/94/603820494.db2.gz CXPJUGSPCQRDON-MRXNPFEDSA-N -1 1 357.410 2.394 20 0 FEADMM CC(C)[C@H](CCN(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1)NC(=O)[O-] ZINC000824098422 603851937 /nfs/dbraw/zinc/85/19/37/603851937.db2.gz HMIZCEVGUHCLKC-STQMWFEESA-N -1 1 367.412 2.401 20 0 FEADMM CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CCN(C(=O)[O-])CC1 ZINC000828417172 603980893 /nfs/dbraw/zinc/98/08/93/603980893.db2.gz XHGFGIMVGSQVAI-UHFFFAOYSA-N -1 1 360.370 2.040 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1ccco1 ZINC000827034701 604072430 /nfs/dbraw/zinc/07/24/30/604072430.db2.gz DNYDMHJQPBEDLB-HUUCEWRRSA-N -1 1 366.462 2.446 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000826669619 604104189 /nfs/dbraw/zinc/10/41/89/604104189.db2.gz XVIQTAQGUDXVEL-JKSUJKDBSA-N -1 1 369.506 2.305 20 0 FEADMM CN(C)Cc1ccc(NC(=O)c2csc(CNC(=O)[O-])n2)cc1F ZINC000828046551 604132853 /nfs/dbraw/zinc/13/28/53/604132853.db2.gz ONSFGCKRJXUMFA-UHFFFAOYSA-N -1 1 352.391 2.364 20 0 FEADMM CN(CCNC(=O)N1CCC(N(C)C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000828320941 604144621 /nfs/dbraw/zinc/14/46/21/604144621.db2.gz AMZKJUPPZCXBCX-UHFFFAOYSA-N -1 1 366.437 2.041 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000825253699 604163839 /nfs/dbraw/zinc/16/38/39/604163839.db2.gz JVFCJTOTFQCZCM-XQQFMLRXSA-N -1 1 365.396 2.155 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000825121681 604165467 /nfs/dbraw/zinc/16/54/67/604165467.db2.gz OALLLVKLEIKCMD-GZBFAFLISA-N -1 1 351.422 2.371 20 0 FEADMM COc1cccc(CNC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000829558833 604177042 /nfs/dbraw/zinc/17/70/42/604177042.db2.gz DWCBQHMBAKUXFD-IJEWVQPXSA-N -1 1 363.458 2.068 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@H]3CCCC[C@@H]3CNC(=O)[O-])[nH]c2c1 ZINC000830433447 604196227 /nfs/dbraw/zinc/19/62/27/604196227.db2.gz UKZFSMZDQLQJBD-OLZOCXBDSA-N -1 1 359.430 2.497 20 0 FEADMM C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255983 604251897 /nfs/dbraw/zinc/25/18/97/604251897.db2.gz SUNAJELLDFFKEM-LZWOXQAQSA-N -1 1 365.449 2.241 20 0 FEADMM CCS(=O)(=O)N(C)C1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000830126536 604383610 /nfs/dbraw/zinc/38/36/10/604383610.db2.gz RVSWDBCYESPNFJ-GFCCVEGCSA-N -1 1 358.460 2.093 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1cc[nH+]cc1 ZINC000832918362 604623111 /nfs/dbraw/zinc/62/31/11/604623111.db2.gz JVTYCJKYQLGQDW-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c3ccccc3)C2)n[nH]1 ZINC000830735261 604645665 /nfs/dbraw/zinc/64/56/65/604645665.db2.gz QRTGFRMUARZVNB-APHBMKBZSA-N -1 1 371.441 2.464 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN(CCC(=O)[O-])C(C)C)n[nH]1 ZINC000832907951 604673335 /nfs/dbraw/zinc/67/33/35/604673335.db2.gz CCPXQBHHJUUGOI-UHFFFAOYSA-N -1 1 359.430 2.212 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc3c(C)[nH]nc3c2)cc1C(=O)[O-] ZINC000538755477 604690619 /nfs/dbraw/zinc/69/06/19/604690619.db2.gz XUVUFDBKMSANCL-UHFFFAOYSA-N -1 1 361.379 2.379 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c2cccnc12 ZINC000833733527 604702329 /nfs/dbraw/zinc/70/23/29/604702329.db2.gz SXNMZBBSKATWCR-UHFFFAOYSA-N -1 1 359.363 2.137 20 0 FEADMM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)C1 ZINC000831767584 604730609 /nfs/dbraw/zinc/73/06/09/604730609.db2.gz GUIJOHYCMAERNX-CQSZACIVSA-N -1 1 356.338 2.140 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC000833445218 604763919 /nfs/dbraw/zinc/76/39/19/604763919.db2.gz QVYBZYSLOUIDSN-OAHLLOKOSA-N -1 1 365.430 2.086 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCOc1cccc(F)c1 ZINC000826294842 607716466 /nfs/dbraw/zinc/71/64/66/607716466.db2.gz FYXLJHCLCARFAV-UHFFFAOYSA-N -1 1 366.356 2.103 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nc2ccccc2o1 ZINC000826294772 607717747 /nfs/dbraw/zinc/71/77/47/607717747.db2.gz BTBQCCBYAZHVJG-UHFFFAOYSA-N -1 1 359.349 2.075 20 0 FEADMM C[C@@]1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)Cc2ccccc2C(=O)O1 ZINC000833553797 604867198 /nfs/dbraw/zinc/86/71/98/604867198.db2.gz MTLZMVACSJSUNH-IBGZPJMESA-N -1 1 365.345 2.371 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000833551075 604939447 /nfs/dbraw/zinc/93/94/47/604939447.db2.gz QMGZASXKZDGMAH-ZDUSSCGKSA-N -1 1 371.441 2.465 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n[nH]1 ZINC000833511924 605003244 /nfs/dbraw/zinc/00/32/44/605003244.db2.gz FLHPNFNVACZQSD-QMMMGPOBSA-N -1 1 372.834 2.319 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n[nH]1 ZINC000833511923 605003556 /nfs/dbraw/zinc/00/35/56/605003556.db2.gz FLHPNFNVACZQSD-MRVPVSSYSA-N -1 1 372.834 2.319 20 0 FEADMM Clc1ccc(N2CC[C@H](OCc3ccncc3)C2)nc1-c1nnn[n-]1 ZINC000826351880 607728270 /nfs/dbraw/zinc/72/82/70/607728270.db2.gz FLYRFJWZLALVGJ-LBPRGKRZSA-N -1 1 357.805 2.106 20 0 FEADMM Clc1ccc(N2CC[C@H](OCc3ccncc3)C2)nc1-c1nn[n-]n1 ZINC000826351880 607728272 /nfs/dbraw/zinc/72/82/72/607728272.db2.gz FLYRFJWZLALVGJ-LBPRGKRZSA-N -1 1 357.805 2.106 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-])N1CCCC[C@H]1C ZINC000833615869 605017308 /nfs/dbraw/zinc/01/73/08/605017308.db2.gz UCMROYOFHKSCGR-NEPJUHHUSA-N -1 1 358.435 2.065 20 0 FEADMM CN(CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000833691203 605044440 /nfs/dbraw/zinc/04/44/40/605044440.db2.gz LELVHHRZMIPFRZ-CYBMUJFWSA-N -1 1 372.437 2.205 20 0 FEADMM Cc1ccc(C[C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)s1 ZINC000833748374 605053869 /nfs/dbraw/zinc/05/38/69/605053869.db2.gz JXMBUTWWTPTZKI-CHWSQXEVSA-N -1 1 353.488 2.178 20 0 FEADMM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833541165 605076659 /nfs/dbraw/zinc/07/66/59/605076659.db2.gz ZUIGJXZDCACVPL-OQPBUACISA-N -1 1 372.208 2.296 20 0 FEADMM C[C@H](Oc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1)C(=O)[O-] ZINC000833537820 605088591 /nfs/dbraw/zinc/08/85/91/605088591.db2.gz AXMMCICKGYBWQC-KXBFYZLASA-N -1 1 368.433 2.429 20 0 FEADMM CC(C)(CNC(=O)c1cncc(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000833458365 605106848 /nfs/dbraw/zinc/10/68/48/605106848.db2.gz QHNKBVXOTNJTOL-UHFFFAOYSA-N -1 1 353.422 2.347 20 0 FEADMM C[C@H]1CCc2c(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)csc2C1 ZINC000833617965 605107776 /nfs/dbraw/zinc/10/77/76/605107776.db2.gz XNLIIMRDGWEYDD-STQMWFEESA-N -1 1 350.484 2.494 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc2c(s1)CCCC2 ZINC000833627138 605136892 /nfs/dbraw/zinc/13/68/92/605136892.db2.gz UPPBJNLUIVGIGA-CYBMUJFWSA-N -1 1 365.499 2.317 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000833622320 605158648 /nfs/dbraw/zinc/15/86/48/605158648.db2.gz OYACKGOVTZKXDQ-XHPSBEMXSA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833540197 605253147 /nfs/dbraw/zinc/25/31/47/605253147.db2.gz KCANXDSILHOGPT-CHWSQXEVSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@]1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000833566713 605272935 /nfs/dbraw/zinc/27/29/35/605272935.db2.gz DZUOFHCCLAHOME-RXVVDRJESA-N -1 1 373.497 2.348 20 0 FEADMM O=C([O-])N[C@H]1CCc2ncc(NC(=O)N[C@H]3CCCc4cn[nH]c43)cc2C1 ZINC000834193545 605361920 /nfs/dbraw/zinc/36/19/20/605361920.db2.gz CGSDMWZVVZPNBU-WFASDCNBSA-N -1 1 370.413 2.129 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000834287964 605377810 /nfs/dbraw/zinc/37/78/10/605377810.db2.gz UDFKMJKNFYAFEF-GJZGRUSLSA-N -1 1 369.425 2.320 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834287964 605377816 /nfs/dbraw/zinc/37/78/16/605377816.db2.gz UDFKMJKNFYAFEF-GJZGRUSLSA-N -1 1 369.425 2.320 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000827994715 605378549 /nfs/dbraw/zinc/37/85/49/605378549.db2.gz NMOVQTXFMQBJNZ-CABCVRRESA-N -1 1 366.487 2.277 20 0 FEADMM NC(=O)COc1ccc(CN2CCN(C(=O)[O-])CC23CCCCC3)cc1 ZINC000831193853 605482070 /nfs/dbraw/zinc/48/20/70/605482070.db2.gz BKRUZRMPUYVTCJ-UHFFFAOYSA-N -1 1 361.442 2.049 20 0 FEADMM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)c1nnc[nH]1 ZINC000833521491 605485288 /nfs/dbraw/zinc/48/52/88/605485288.db2.gz NSYPNBXESAEZTE-ZETCQYMHSA-N -1 1 373.291 2.327 20 0 FEADMM CCc1[nH]c(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000833667887 605523421 /nfs/dbraw/zinc/52/34/21/605523421.db2.gz KTQJXBJFMQDXAX-OAHLLOKOSA-N -1 1 353.382 2.221 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000826057389 605573302 /nfs/dbraw/zinc/57/33/02/605573302.db2.gz IHAZWNREYQENKS-HLLBOEOZSA-N -1 1 363.458 2.001 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)CC(C)C ZINC000826328562 607763562 /nfs/dbraw/zinc/76/35/62/607763562.db2.gz WCXXEHMUYCZJGO-LLVKDONJSA-N -1 1 370.461 2.010 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)CC(C)C ZINC000826328562 607763563 /nfs/dbraw/zinc/76/35/63/607763563.db2.gz WCXXEHMUYCZJGO-LLVKDONJSA-N -1 1 370.461 2.010 20 0 FEADMM O=C([O-])NC1CCC(NCc2nnc3n2CCC[C@H]3C(F)(F)F)CC1 ZINC000834162840 605621191 /nfs/dbraw/zinc/62/11/91/605621191.db2.gz BJJZWEGHDHBHMW-VQXHTEKXSA-N -1 1 361.368 2.386 20 0 FEADMM O=C([O-])N1CCN(C(=O)CNC2c3ccccc3-c3ccccc32)CC1 ZINC000834116008 605685232 /nfs/dbraw/zinc/68/52/32/605685232.db2.gz OZLRFWPDNLBKID-UHFFFAOYSA-N -1 1 351.406 2.168 20 0 FEADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(-n3cncn3)nc2)c2ccccc21 ZINC000834157258 605792011 /nfs/dbraw/zinc/79/20/11/605792011.db2.gz HIASJGHZLMXKPD-HZPDHXFCSA-N -1 1 350.382 2.206 20 0 FEADMM Cc1cc(NC(=O)CN[C@@H]2CCN(C(=O)[O-])C2)ccc1Br ZINC000830107803 605851139 /nfs/dbraw/zinc/85/11/39/605851139.db2.gz RFGOGEZZCCTXNB-LLVKDONJSA-N -1 1 356.220 2.038 20 0 FEADMM CCC(CC)(CNC(=O)[O-])C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000833841703 605860819 /nfs/dbraw/zinc/86/08/19/605860819.db2.gz LLRJOLZKUVYKEU-UHFFFAOYSA-N -1 1 369.506 2.021 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000833833498 605905593 /nfs/dbraw/zinc/90/55/93/605905593.db2.gz YQNRCNJSASZYQG-VXGBXAGGSA-N -1 1 371.840 2.416 20 0 FEADMM O=C([O-])N1CCC2(CCN(C(=O)Nc3cnn(-c4ccncc4)c3)C2)CC1 ZINC000834090246 605921585 /nfs/dbraw/zinc/92/15/85/605921585.db2.gz LURZQSFCIPCDSZ-UHFFFAOYSA-N -1 1 370.413 2.265 20 0 FEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(Cc1ccccc1)C1CC1 ZINC000834094972 605966459 /nfs/dbraw/zinc/96/64/59/605966459.db2.gz MPYQLGIZFRDCPH-MSOLQXFVSA-N -1 1 357.454 2.394 20 0 FEADMM O=C([O-])N(CCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000834063375 605983561 /nfs/dbraw/zinc/98/35/61/605983561.db2.gz WOJJBSRRUDXZKH-CQSZACIVSA-N -1 1 356.419 2.166 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(Cl)cnc2N)ccc1NC(=O)[O-] ZINC000833888089 606017312 /nfs/dbraw/zinc/01/73/12/606017312.db2.gz SXDNPZFAVNBVKP-UHFFFAOYSA-N -1 1 372.790 2.217 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@H]2CCCN(C(=O)[O-])CC2)c1 ZINC000833979615 606043499 /nfs/dbraw/zinc/04/34/99/606043499.db2.gz CLLBDVOURRZLFK-RDJZCZTQSA-N -1 1 360.458 2.081 20 0 FEADMM COCc1nc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000810067231 674528898 /nfs/dbraw/zinc/52/88/98/674528898.db2.gz SOCLHYULXONYDQ-JTQLQIEISA-N -1 1 351.394 2.180 20 0 FEADMM O=C([O-])NCCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000834245608 606081466 /nfs/dbraw/zinc/08/14/66/606081466.db2.gz NWOFYXMQWMEMEZ-UHFFFAOYSA-N -1 1 372.349 2.412 20 0 FEADMM O=C([O-])N1CC[C@@H](CCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834075673 606093871 /nfs/dbraw/zinc/09/38/71/606093871.db2.gz LEIHCLZVUPNLPN-TZMCWYRMSA-N -1 1 361.446 2.168 20 0 FEADMM O=C(OCc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823440469 606133777 /nfs/dbraw/zinc/13/37/77/606133777.db2.gz VCLBOXCUHLTYBK-UHFFFAOYSA-N -1 1 358.305 2.044 20 0 FEADMM O=C(OCc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823440469 606133779 /nfs/dbraw/zinc/13/37/79/606133779.db2.gz VCLBOXCUHLTYBK-UHFFFAOYSA-N -1 1 358.305 2.044 20 0 FEADMM CCc1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821497114 606133969 /nfs/dbraw/zinc/13/39/69/606133969.db2.gz PCDXFKZLRICABM-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CCc1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821497114 606133971 /nfs/dbraw/zinc/13/39/71/606133971.db2.gz PCDXFKZLRICABM-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccc(F)cc2OCC2CC2)n1 ZINC000822620219 606173593 /nfs/dbraw/zinc/17/35/93/606173593.db2.gz MISZUOXEWKRHFY-UHFFFAOYSA-N -1 1 372.364 2.172 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccc(F)cc2OCC2CC2)n1 ZINC000822620219 606173594 /nfs/dbraw/zinc/17/35/94/606173594.db2.gz MISZUOXEWKRHFY-UHFFFAOYSA-N -1 1 372.364 2.172 20 0 FEADMM CC(C)OC(=O)N1CCC(OC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820142823 606178416 /nfs/dbraw/zinc/17/84/16/606178416.db2.gz XQJFLRIZTLWHNH-UHFFFAOYSA-N -1 1 365.415 2.094 20 0 FEADMM CC(C)OC(=O)N1CCC(OC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820142823 606178418 /nfs/dbraw/zinc/17/84/18/606178418.db2.gz XQJFLRIZTLWHNH-UHFFFAOYSA-N -1 1 365.415 2.094 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc(-c2ccccc2)nc1 ZINC000823294844 606196448 /nfs/dbraw/zinc/19/64/48/606196448.db2.gz ULJFWDJYGWLAOB-UHFFFAOYSA-N -1 1 359.349 2.282 20 0 FEADMM Cc1ccsc1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810087854 674530808 /nfs/dbraw/zinc/53/08/08/674530808.db2.gz BUKZLLNAJMXWCU-JTQLQIEISA-N -1 1 370.418 2.136 20 0 FEADMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)no1 ZINC000810116009 674533294 /nfs/dbraw/zinc/53/32/94/674533294.db2.gz DZGBACSCZMORKH-VIFPVBQESA-N -1 1 360.823 2.083 20 0 FEADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823073968 606295625 /nfs/dbraw/zinc/29/56/25/606295625.db2.gz GXQFQLFDILSBQJ-UHFFFAOYSA-N -1 1 352.329 2.374 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn(-c2ccccc2F)c1 ZINC000823294728 606297270 /nfs/dbraw/zinc/29/72/70/606297270.db2.gz OZZLPFGMJKOJQY-UHFFFAOYSA-N -1 1 365.328 2.149 20 0 FEADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820641351 606345443 /nfs/dbraw/zinc/34/54/43/606345443.db2.gz BVEKDPYRLCPVCD-YPMHNXCESA-N -1 1 352.402 2.010 20 0 FEADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820641351 606345445 /nfs/dbraw/zinc/34/54/45/606345445.db2.gz BVEKDPYRLCPVCD-YPMHNXCESA-N -1 1 352.402 2.010 20 0 FEADMM C[S@@](=O)c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000821941815 606430464 /nfs/dbraw/zinc/43/04/64/606430464.db2.gz JVESQCRKJIRJLS-JOCHJYFZSA-N -1 1 354.848 2.326 20 0 FEADMM C[S@@](=O)c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000821941815 606430466 /nfs/dbraw/zinc/43/04/66/606430466.db2.gz JVESQCRKJIRJLS-JOCHJYFZSA-N -1 1 354.848 2.326 20 0 FEADMM C[C@H](N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000820308803 606469883 /nfs/dbraw/zinc/46/98/83/606469883.db2.gz YQLUQRUOMDELKV-LURJTMIESA-N -1 1 367.788 2.049 20 0 FEADMM C[C@H](N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000820308803 606469884 /nfs/dbraw/zinc/46/98/84/606469884.db2.gz YQLUQRUOMDELKV-LURJTMIESA-N -1 1 367.788 2.049 20 0 FEADMM CCCNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821118249 606509820 /nfs/dbraw/zinc/50/98/20/606509820.db2.gz JWNCDVGYSYFYOJ-UHFFFAOYSA-N -1 1 356.411 2.320 20 0 FEADMM CCCNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821118249 606509821 /nfs/dbraw/zinc/50/98/21/606509821.db2.gz JWNCDVGYSYFYOJ-UHFFFAOYSA-N -1 1 356.411 2.320 20 0 FEADMM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821674214 606536347 /nfs/dbraw/zinc/53/63/47/606536347.db2.gz XIDAFZDYKVNGCE-VIFPVBQESA-N -1 1 372.410 2.154 20 0 FEADMM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821674214 606536349 /nfs/dbraw/zinc/53/63/49/606536349.db2.gz XIDAFZDYKVNGCE-VIFPVBQESA-N -1 1 372.410 2.154 20 0 FEADMM O=C(Nc1ccccc1N1CCOC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823373036 606545217 /nfs/dbraw/zinc/54/52/17/606545217.db2.gz PFMMHDAPFOKWDZ-UHFFFAOYSA-N -1 1 356.367 2.137 20 0 FEADMM O=C(Nc1ccccc1N1CCOC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823373036 606545219 /nfs/dbraw/zinc/54/52/19/606545219.db2.gz PFMMHDAPFOKWDZ-UHFFFAOYSA-N -1 1 356.367 2.137 20 0 FEADMM NC(=O)CCSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822868534 606549465 /nfs/dbraw/zinc/54/94/65/606549465.db2.gz BTDGUYHYWCTMFL-UHFFFAOYSA-N -1 1 374.451 2.148 20 0 FEADMM NC(=O)CCSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822868534 606549467 /nfs/dbraw/zinc/54/94/67/606549467.db2.gz BTDGUYHYWCTMFL-UHFFFAOYSA-N -1 1 374.451 2.148 20 0 FEADMM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820215020 606554676 /nfs/dbraw/zinc/55/46/76/606554676.db2.gz PUIULQGXCWCNKR-NSHDSACASA-N -1 1 372.458 2.120 20 0 FEADMM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820215020 606554678 /nfs/dbraw/zinc/55/46/78/606554678.db2.gz PUIULQGXCWCNKR-NSHDSACASA-N -1 1 372.458 2.120 20 0 FEADMM C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820813359 606598411 /nfs/dbraw/zinc/59/84/11/606598411.db2.gz FHBDMPIMLSGCOJ-LLVKDONJSA-N -1 1 370.438 2.406 20 0 FEADMM C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820813359 606598413 /nfs/dbraw/zinc/59/84/13/606598413.db2.gz FHBDMPIMLSGCOJ-LLVKDONJSA-N -1 1 370.438 2.406 20 0 FEADMM COc1ccccc1C(C)=CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821882606 606647191 /nfs/dbraw/zinc/64/71/91/606647191.db2.gz FQTYKWKJSDCAMT-FMIVXFBMSA-N -1 1 351.366 2.417 20 0 FEADMM COc1ccccc1C(C)=CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821882606 606647192 /nfs/dbraw/zinc/64/71/92/606647192.db2.gz FQTYKWKJSDCAMT-FMIVXFBMSA-N -1 1 351.366 2.417 20 0 FEADMM Cc1ccc(OCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000822263584 606648314 /nfs/dbraw/zinc/64/83/14/606648314.db2.gz USONSYQRVGUIFO-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM Cc1ccc(OCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000822263584 606648315 /nfs/dbraw/zinc/64/83/15/606648315.db2.gz USONSYQRVGUIFO-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820534555 606648485 /nfs/dbraw/zinc/64/84/85/606648485.db2.gz LLOIPLIFJRKKFR-GFCCVEGCSA-N -1 1 365.393 2.261 20 0 FEADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820534555 606648486 /nfs/dbraw/zinc/64/84/86/606648486.db2.gz LLOIPLIFJRKKFR-GFCCVEGCSA-N -1 1 365.393 2.261 20 0 FEADMM C[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1 ZINC000820225603 606651013 /nfs/dbraw/zinc/65/10/13/606651013.db2.gz MNGNDRXECBOJLY-NSHDSACASA-N -1 1 369.356 2.353 20 0 FEADMM C[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1 ZINC000820225603 606651014 /nfs/dbraw/zinc/65/10/14/606651014.db2.gz MNGNDRXECBOJLY-NSHDSACASA-N -1 1 369.356 2.353 20 0 FEADMM C[C@H](O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000820481232 606688783 /nfs/dbraw/zinc/68/87/83/606688783.db2.gz UCSFGLJHHAHUOL-NSHDSACASA-N -1 1 371.372 2.251 20 0 FEADMM C[C@H](O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000820481232 606688784 /nfs/dbraw/zinc/68/87/84/606688784.db2.gz UCSFGLJHHAHUOL-NSHDSACASA-N -1 1 371.372 2.251 20 0 FEADMM CCC1(CC)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000820955985 606697682 /nfs/dbraw/zinc/69/76/82/606697682.db2.gz GOJHRRQBBJIJRR-UHFFFAOYSA-N -1 1 362.459 2.342 20 0 FEADMM CCC1(CC)CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820957853 606744547 /nfs/dbraw/zinc/74/45/47/606744547.db2.gz QYZYEMYPOISOBS-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM CCC1(CC)CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820957853 606744548 /nfs/dbraw/zinc/74/45/48/606744548.db2.gz QYZYEMYPOISOBS-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000823483737 606769824 /nfs/dbraw/zinc/76/98/24/606769824.db2.gz LNAXRKNSYRSRFJ-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000823483737 606769825 /nfs/dbraw/zinc/76/98/25/606769825.db2.gz LNAXRKNSYRSRFJ-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C1CCOCC1 ZINC000822535168 606808163 /nfs/dbraw/zinc/80/81/63/606808163.db2.gz INMDKYRFQUIDRP-LLVKDONJSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C1CCOCC1 ZINC000822535168 606808165 /nfs/dbraw/zinc/80/81/65/606808165.db2.gz INMDKYRFQUIDRP-LLVKDONJSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C1CCOCC1 ZINC000822535169 606808364 /nfs/dbraw/zinc/80/83/64/606808364.db2.gz INMDKYRFQUIDRP-NSHDSACASA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C1CCOCC1 ZINC000822535169 606808366 /nfs/dbraw/zinc/80/83/66/606808366.db2.gz INMDKYRFQUIDRP-NSHDSACASA-N -1 1 370.413 2.104 20 0 FEADMM CC[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820971711 606815360 /nfs/dbraw/zinc/81/53/60/606815360.db2.gz FBEDOGCEWPFECD-OCCSQVGLSA-N -1 1 358.446 2.212 20 0 FEADMM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821656077 606874529 /nfs/dbraw/zinc/87/45/29/606874529.db2.gz XHVYFGARRRBHSC-QWRGUYRKSA-N -1 1 363.443 2.170 20 0 FEADMM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821656077 606874531 /nfs/dbraw/zinc/87/45/31/606874531.db2.gz XHVYFGARRRBHSC-QWRGUYRKSA-N -1 1 363.443 2.170 20 0 FEADMM c1csc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)c1 ZINC000823815208 606876989 /nfs/dbraw/zinc/87/69/89/606876989.db2.gz BFYAZSSUBBKGTN-UHFFFAOYSA-N -1 1 364.438 2.198 20 0 FEADMM c1csc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)c1 ZINC000823815208 606876991 /nfs/dbraw/zinc/87/69/91/606876991.db2.gz BFYAZSSUBBKGTN-UHFFFAOYSA-N -1 1 364.438 2.198 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(c2nc3ccccc3s2)C1 ZINC000823478839 606921920 /nfs/dbraw/zinc/92/19/20/606921920.db2.gz UXELMYNISCTRJZ-UHFFFAOYSA-N -1 1 363.406 2.111 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(c2nc3ccccc3s2)C1 ZINC000823478839 606921922 /nfs/dbraw/zinc/92/19/22/606921922.db2.gz UXELMYNISCTRJZ-UHFFFAOYSA-N -1 1 363.406 2.111 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1-c1ccccc1F ZINC000822020984 607024177 /nfs/dbraw/zinc/02/41/77/607024177.db2.gz QFPYWLHCTLPEIE-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1-c1ccccc1F ZINC000822020984 607024180 /nfs/dbraw/zinc/02/41/80/607024180.db2.gz QFPYWLHCTLPEIE-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM Cc1cc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)oc1C ZINC000822184206 607157538 /nfs/dbraw/zinc/15/75/38/607157538.db2.gz PAHGOOSTOJAZSN-UHFFFAOYSA-N -1 1 359.342 2.082 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cccc3nsnc32)c2ccccc21 ZINC000823657004 607166833 /nfs/dbraw/zinc/16/68/33/607166833.db2.gz LMPRQPYWWQRVGG-UHFFFAOYSA-N -1 1 361.390 2.235 20 0 FEADMM Clc1nsc(N[C@H]2CCO[C@@]3(CCSC3)C2)c1-c1nnn[n-]1 ZINC000822591092 607176742 /nfs/dbraw/zinc/17/67/42/607176742.db2.gz QJOAUZSCTZFCCI-MADCSZMMSA-N -1 1 358.880 2.443 20 0 FEADMM Clc1nsc(N[C@H]2CCO[C@@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC000822591092 607176743 /nfs/dbraw/zinc/17/67/43/607176743.db2.gz QJOAUZSCTZFCCI-MADCSZMMSA-N -1 1 358.880 2.443 20 0 FEADMM CCCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](CC)c1ccccc1 ZINC000821062611 607217445 /nfs/dbraw/zinc/21/74/45/607217445.db2.gz ZMOLLGTWFDMRJR-HNNXBMFYSA-N -1 1 368.445 2.238 20 0 FEADMM CN(C)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(F)c1 ZINC000825875537 607785833 /nfs/dbraw/zinc/78/58/33/607785833.db2.gz SJXTVQIQDSGLAI-UHFFFAOYSA-N -1 1 372.408 2.276 20 0 FEADMM CN(C)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c(F)c1 ZINC000825875537 607785834 /nfs/dbraw/zinc/78/58/34/607785834.db2.gz SJXTVQIQDSGLAI-UHFFFAOYSA-N -1 1 372.408 2.276 20 0 FEADMM CCN(C(C)=O)c1nc(COc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000825391389 607865899 /nfs/dbraw/zinc/86/58/99/607865899.db2.gz YUWTUVNZZCXYII-UHFFFAOYSA-N -1 1 362.390 2.414 20 0 FEADMM CCN(C(C)=O)c1nc(COc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000825391389 607865900 /nfs/dbraw/zinc/86/59/00/607865900.db2.gz YUWTUVNZZCXYII-UHFFFAOYSA-N -1 1 362.390 2.414 20 0 FEADMM Cc1cccc(C)c1-n1nnnc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826296553 607866121 /nfs/dbraw/zinc/86/61/21/607866121.db2.gz AXHMJGWLXYPLHW-UHFFFAOYSA-N -1 1 366.360 2.177 20 0 FEADMM Cc1cccc(C)c1-n1nnnc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826296553 607866122 /nfs/dbraw/zinc/86/61/22/607866122.db2.gz AXHMJGWLXYPLHW-UHFFFAOYSA-N -1 1 366.360 2.177 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824109836 607897192 /nfs/dbraw/zinc/89/71/92/607897192.db2.gz WTWDGQXNVYRFJH-GFCCVEGCSA-N -1 1 359.434 2.003 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824109836 607897193 /nfs/dbraw/zinc/89/71/93/607897193.db2.gz WTWDGQXNVYRFJH-GFCCVEGCSA-N -1 1 359.434 2.003 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCN1c1nc2ccccc2o1 ZINC000824999188 607898913 /nfs/dbraw/zinc/89/89/13/607898913.db2.gz DKCKCHFKIXFEIV-GFCCVEGCSA-N -1 1 362.397 2.118 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCN1c1nc2ccccc2o1 ZINC000824999188 607898914 /nfs/dbraw/zinc/89/89/14/607898914.db2.gz DKCKCHFKIXFEIV-GFCCVEGCSA-N -1 1 362.397 2.118 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1C ZINC000824024785 607982589 /nfs/dbraw/zinc/98/25/89/607982589.db2.gz PMSFDRZGCHUVEY-UHFFFAOYSA-N -1 1 371.422 2.487 20 0 FEADMM FC(F)(F)c1ccc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)cc1 ZINC000826368570 608012908 /nfs/dbraw/zinc/01/29/08/608012908.db2.gz UZTPJINUSIUUCX-UHFFFAOYSA-N -1 1 362.275 2.180 20 0 FEADMM FC(F)(F)c1ccc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)cc1 ZINC000826368570 608012909 /nfs/dbraw/zinc/01/29/09/608012909.db2.gz UZTPJINUSIUUCX-UHFFFAOYSA-N -1 1 362.275 2.180 20 0 FEADMM O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433823 608108754 /nfs/dbraw/zinc/10/87/54/608108754.db2.gz SDRIYRPDJXSPRG-JTQLQIEISA-N -1 1 367.793 2.184 20 0 FEADMM O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433823 608108755 /nfs/dbraw/zinc/10/87/55/608108755.db2.gz SDRIYRPDJXSPRG-JTQLQIEISA-N -1 1 367.793 2.184 20 0 FEADMM CN(C[C@@H]1CC=CCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825908495 608124682 /nfs/dbraw/zinc/12/46/82/608124682.db2.gz IORZHIBCSMNUEX-LLVKDONJSA-N -1 1 367.862 2.497 20 0 FEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(C2CCCCC2)CCCCC1 ZINC000826425830 608250734 /nfs/dbraw/zinc/25/07/34/608250734.db2.gz VTJXXYNHNQJVLT-UHFFFAOYSA-N -1 1 372.477 2.105 20 0 FEADMM Cc1nc(Cl)ccc1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826326977 608309527 /nfs/dbraw/zinc/30/95/27/608309527.db2.gz MPGXENQJVWMHGD-UHFFFAOYSA-N -1 1 374.836 2.356 20 0 FEADMM Cc1nc(Cl)ccc1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826326977 608309530 /nfs/dbraw/zinc/30/95/30/608309530.db2.gz MPGXENQJVWMHGD-UHFFFAOYSA-N -1 1 374.836 2.356 20 0 FEADMM COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000826163537 608333292 /nfs/dbraw/zinc/33/32/92/608333292.db2.gz YOGNUGQYGJRTJM-SNVBAGLBSA-N -1 1 374.426 2.134 20 0 FEADMM COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000826163537 608333293 /nfs/dbraw/zinc/33/32/93/608333293.db2.gz YOGNUGQYGJRTJM-SNVBAGLBSA-N -1 1 374.426 2.134 20 0 FEADMM c1ccc(Nc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)cc1 ZINC000826522032 608390927 /nfs/dbraw/zinc/39/09/27/608390927.db2.gz IWVAKRCBYNUIDB-UHFFFAOYSA-N -1 1 355.412 2.403 20 0 FEADMM c1ccc(Nc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)cc1 ZINC000826522032 608390929 /nfs/dbraw/zinc/39/09/29/608390929.db2.gz IWVAKRCBYNUIDB-UHFFFAOYSA-N -1 1 355.412 2.403 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2F)C[C@@H](C)O1 ZINC000824991418 608399751 /nfs/dbraw/zinc/39/97/51/608399751.db2.gz AWSBNLQBADHIHT-GHMZBOCLSA-N -1 1 370.392 2.153 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2F)C[C@@H](C)O1 ZINC000824991418 608399753 /nfs/dbraw/zinc/39/97/53/608399753.db2.gz AWSBNLQBADHIHT-GHMZBOCLSA-N -1 1 370.392 2.153 20 0 FEADMM CCOC(=O)c1oc2ccccc2c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825577754 608409940 /nfs/dbraw/zinc/40/99/40/608409940.db2.gz ZPELSZZRHGCOIP-UHFFFAOYSA-N -1 1 365.353 2.192 20 0 FEADMM CCOC(=O)c1oc2ccccc2c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825577754 608409943 /nfs/dbraw/zinc/40/99/43/608409943.db2.gz ZPELSZZRHGCOIP-UHFFFAOYSA-N -1 1 365.353 2.192 20 0 FEADMM COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(C(F)(F)F)c1 ZINC000826203784 608410581 /nfs/dbraw/zinc/41/05/81/608410581.db2.gz GCVAJALFMOPMAR-UHFFFAOYSA-N -1 1 351.292 2.296 20 0 FEADMM COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(C(F)(F)F)c1 ZINC000826203784 608410582 /nfs/dbraw/zinc/41/05/82/608410582.db2.gz GCVAJALFMOPMAR-UHFFFAOYSA-N -1 1 351.292 2.296 20 0 FEADMM CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824114064 608415922 /nfs/dbraw/zinc/41/59/22/608415922.db2.gz IKUMHFCLQCBIJG-UHFFFAOYSA-N -1 1 368.401 2.425 20 0 FEADMM CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824114064 608415923 /nfs/dbraw/zinc/41/59/23/608415923.db2.gz IKUMHFCLQCBIJG-UHFFFAOYSA-N -1 1 368.401 2.425 20 0 FEADMM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)nn2)c(SC)cc1OC ZINC000826179183 608422789 /nfs/dbraw/zinc/42/27/89/608422789.db2.gz CPZHZHNOFXWEQP-UHFFFAOYSA-N -1 1 373.442 2.032 20 0 FEADMM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)nn2)c(SC)cc1OC ZINC000826179183 608422791 /nfs/dbraw/zinc/42/27/91/608422791.db2.gz CPZHZHNOFXWEQP-UHFFFAOYSA-N -1 1 373.442 2.032 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824113779 608425332 /nfs/dbraw/zinc/42/53/32/608425332.db2.gz CVVWLPOOMJBBJW-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824113779 608425333 /nfs/dbraw/zinc/42/53/33/608425333.db2.gz CVVWLPOOMJBBJW-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM CCCC[C@H](CC)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825260685 608559552 /nfs/dbraw/zinc/55/95/52/608559552.db2.gz QNNUYWSUNXZFQG-LBPRGKRZSA-N -1 1 362.482 2.170 20 0 FEADMM CCCC[C@H](CC)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825260685 608559553 /nfs/dbraw/zinc/55/95/53/608559553.db2.gz QNNUYWSUNXZFQG-LBPRGKRZSA-N -1 1 362.482 2.170 20 0 FEADMM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000825348611 608633228 /nfs/dbraw/zinc/63/32/28/608633228.db2.gz RZJAGBYBOFTKMZ-CYBMUJFWSA-N -1 1 368.441 2.461 20 0 FEADMM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000825348611 608633229 /nfs/dbraw/zinc/63/32/29/608633229.db2.gz RZJAGBYBOFTKMZ-CYBMUJFWSA-N -1 1 368.441 2.461 20 0 FEADMM O=[S@@](CCn1ccnc1-c1nnn[n-]1)c1cc(Cl)ccc1Cl ZINC000826496139 608893853 /nfs/dbraw/zinc/89/38/53/608893853.db2.gz MKAQXIABZSWKOQ-QFIPXVFZSA-N -1 1 357.226 2.178 20 0 FEADMM O=[S@@](CCn1ccnc1-c1nn[n-]n1)c1cc(Cl)ccc1Cl ZINC000826496139 608893857 /nfs/dbraw/zinc/89/38/57/608893857.db2.gz MKAQXIABZSWKOQ-QFIPXVFZSA-N -1 1 357.226 2.178 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N(C)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000826229932 609298903 /nfs/dbraw/zinc/29/89/03/609298903.db2.gz XBHMAPFUDCBRIC-UHFFFAOYSA-N -1 1 356.411 2.274 20 0 FEADMM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826430915 609334662 /nfs/dbraw/zinc/33/46/62/609334662.db2.gz NHTSBCLUIAUWLC-CYBMUJFWSA-N -1 1 354.345 2.045 20 0 FEADMM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826430915 609334664 /nfs/dbraw/zinc/33/46/64/609334664.db2.gz NHTSBCLUIAUWLC-CYBMUJFWSA-N -1 1 354.345 2.045 20 0 FEADMM C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1C ZINC000824978318 609358329 /nfs/dbraw/zinc/35/83/29/609358329.db2.gz VNCAQNFTWTXMAH-QWRGUYRKSA-N -1 1 370.392 2.311 20 0 FEADMM Cn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1C1CCC1 ZINC000826356585 609387709 /nfs/dbraw/zinc/38/77/09/609387709.db2.gz XDRVNDUPDVTKEF-UHFFFAOYSA-N -1 1 365.426 2.357 20 0 FEADMM Cc1onc(CC(=O)NCC2(c3ccccc3Cl)CC2)c1-c1nnn[n-]1 ZINC000826347001 609469557 /nfs/dbraw/zinc/46/95/57/609469557.db2.gz ASQYPJNZCOJTIR-UHFFFAOYSA-N -1 1 372.816 2.207 20 0 FEADMM Cc1onc(CC(=O)NCC2(c3ccccc3Cl)CC2)c1-c1nn[n-]n1 ZINC000826347001 609469561 /nfs/dbraw/zinc/46/95/61/609469561.db2.gz ASQYPJNZCOJTIR-UHFFFAOYSA-N -1 1 372.816 2.207 20 0 FEADMM Cc1noc(C2CC2)c1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826339695 609504705 /nfs/dbraw/zinc/50/47/05/609504705.db2.gz OZYNBLYILVSPKQ-UHFFFAOYSA-N -1 1 356.390 2.244 20 0 FEADMM Cc1noc(C2CC2)c1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826339695 609504706 /nfs/dbraw/zinc/50/47/06/609504706.db2.gz OZYNBLYILVSPKQ-UHFFFAOYSA-N -1 1 356.390 2.244 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000810717249 674558746 /nfs/dbraw/zinc/55/87/46/674558746.db2.gz UOGNDSFNWGZAPX-GOSISDBHSA-N -1 1 370.490 2.462 20 0 FEADMM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000810903194 674567653 /nfs/dbraw/zinc/56/76/53/674567653.db2.gz PFDCAKZNOIMEPV-JTQLQIEISA-N -1 1 362.373 2.481 20 0 FEADMM CS(=O)(=O)c1cccc(CS(=O)(=O)[N-]c2cc(C3CC3)ccn2)c1 ZINC000560251284 674573324 /nfs/dbraw/zinc/57/33/24/674573324.db2.gz HQOAQXSKJXICFT-UHFFFAOYSA-N -1 1 366.464 2.304 20 0 FEADMM O=C([N-]CCCOC(=O)[C@H]1CCN(c2ccccc2F)C1)C(F)(F)F ZINC000811377830 674598725 /nfs/dbraw/zinc/59/87/25/674598725.db2.gz KKOXZZXUDXPACJ-NSHDSACASA-N -1 1 362.323 2.264 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(OC)c(Cl)c1 ZINC000560649283 674606744 /nfs/dbraw/zinc/60/67/44/674606744.db2.gz KOGAPPCRBNUHDX-CQSZACIVSA-N -1 1 350.758 2.093 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)ccc12 ZINC000812272859 674660821 /nfs/dbraw/zinc/66/08/21/674660821.db2.gz QHQXXDIBNUKFNH-UHFFFAOYSA-N -1 1 357.391 2.353 20 0 FEADMM CCNc1nc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000812277813 674661284 /nfs/dbraw/zinc/66/12/84/674661284.db2.gz ZLUSOSAAQXKHND-SECBINFHSA-N -1 1 364.393 2.106 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000812361657 674670088 /nfs/dbraw/zinc/67/00/88/674670088.db2.gz AEYHACRQIITCAO-UHFFFAOYSA-N -1 1 363.370 2.173 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(F)(F)c2ccc(C)cc2)c1 ZINC000812361262 674670195 /nfs/dbraw/zinc/67/01/95/674670195.db2.gz SADVPCCCQNIIOU-UHFFFAOYSA-N -1 1 370.377 2.339 20 0 FEADMM O=C(NOC/C=C\Cl)c1ccc(I)c([O-])c1 ZINC000812402540 674672719 /nfs/dbraw/zinc/67/27/19/674672719.db2.gz FZCFNMHCYNXLGV-RJRFIUFISA-N -1 1 353.543 2.411 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000561528845 674675747 /nfs/dbraw/zinc/67/57/47/674675747.db2.gz QOLUWXBGRGDYCJ-LBPRGKRZSA-N -1 1 351.325 2.450 20 0 FEADMM O=S(=O)(Cc1ccccc1Br)[N-]Cc1noc(C2CC2)n1 ZINC000561538845 674677242 /nfs/dbraw/zinc/67/72/42/674677242.db2.gz PCCKRBSUSVJJKY-UHFFFAOYSA-N -1 1 372.244 2.329 20 0 FEADMM C[C@@]1(F)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000562188354 674727449 /nfs/dbraw/zinc/72/74/49/674727449.db2.gz CWQNRFHAEBCQBC-CYBMUJFWSA-N -1 1 369.245 2.232 20 0 FEADMM Cc1ccncc1/C=C/C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813282785 674733459 /nfs/dbraw/zinc/73/34/59/674733459.db2.gz AIGAAVYJOVEBDJ-MUBLQREKSA-N -1 1 355.360 2.320 20 0 FEADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000562959963 674827720 /nfs/dbraw/zinc/82/77/20/674827720.db2.gz IREWUYJVSREMMV-CMPLNLGQSA-N -1 1 353.216 2.038 20 0 FEADMM O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000562959965 674827810 /nfs/dbraw/zinc/82/78/10/674827810.db2.gz IREWUYJVSREMMV-PWSUYJOCSA-N -1 1 353.216 2.038 20 0 FEADMM Cc1ccc(F)c(NS(=O)(=O)c2cn(C)c(C(C)C)n2)c1C(=O)[O-] ZINC000562967833 674828753 /nfs/dbraw/zinc/82/87/53/674828753.db2.gz QEZAMMLAVSMKML-UHFFFAOYSA-N -1 1 355.391 2.490 20 0 FEADMM CCC(Nc1ccc(Br)cc1C)=C1C(=O)[N-]C(=S)NC1=O ZINC000814326811 674831928 /nfs/dbraw/zinc/83/19/28/674831928.db2.gz BRYYMBHLZFUEAA-UHFFFAOYSA-N -1 1 368.256 2.364 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccc(C)o1 ZINC000814387634 674838059 /nfs/dbraw/zinc/83/80/59/674838059.db2.gz XCXSHIMYDVVIIC-SNVBAGLBSA-N -1 1 371.802 2.444 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)CC1 ZINC000563346774 674875373 /nfs/dbraw/zinc/87/53/73/674875373.db2.gz YRMHLSIEOSJVJJ-UHFFFAOYSA-N -1 1 361.423 2.371 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)NC(N)=O)c1 ZINC000563498194 674897182 /nfs/dbraw/zinc/89/71/82/674897182.db2.gz NXZLYEISWNGWNL-UHFFFAOYSA-N -1 1 361.423 2.419 20 0 FEADMM CCNC(=O)[C@@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)C(C)C ZINC000815131903 674922565 /nfs/dbraw/zinc/92/25/65/674922565.db2.gz PGANJUPELFPUOP-INIZCTEOSA-N -1 1 352.818 2.402 20 0 FEADMM COc1ccc(NC(=O)NCCOCC2CCC2)cc1[N-]S(C)(=O)=O ZINC000564503023 675029204 /nfs/dbraw/zinc/02/92/04/675029204.db2.gz PTSQSKHSHWJFJR-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM COC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007330111 669967616 /nfs/dbraw/zinc/96/76/16/669967616.db2.gz SVUREHFQKNLSHR-LBPRGKRZSA-N -1 1 363.391 2.206 20 0 FEADMM CCOc1ccc(O[C@H](C)C(=O)N[N-]C(=O)c2cccnc2Cl)cc1 ZINC000015355128 670011401 /nfs/dbraw/zinc/01/14/01/670011401.db2.gz WUDCONYTWFJRKZ-LLVKDONJSA-N -1 1 363.801 2.362 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000024224920 670053319 /nfs/dbraw/zinc/05/33/19/670053319.db2.gz HGEGEHYVMJDCOE-UHFFFAOYSA-N -1 1 374.871 2.391 20 0 FEADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000024431437 670054764 /nfs/dbraw/zinc/05/47/64/670054764.db2.gz UUYYPZFVPJKTJD-UHFFFAOYSA-N -1 1 374.340 2.370 20 0 FEADMM Cn1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000028635927 670091567 /nfs/dbraw/zinc/09/15/67/670091567.db2.gz NERVNWMIJHUYBQ-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000029388297 670099593 /nfs/dbraw/zinc/09/95/93/670099593.db2.gz PFVYZRNKRUTEBO-UHFFFAOYSA-N -1 1 370.259 2.072 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000031049568 670116685 /nfs/dbraw/zinc/11/66/85/670116685.db2.gz BOFSBGDIQUONSS-UHFFFAOYSA-N -1 1 357.292 2.210 20 0 FEADMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000032629934 670130823 /nfs/dbraw/zinc/13/08/23/670130823.db2.gz GUJVAZWQJAAUGK-UHFFFAOYSA-N -1 1 362.407 2.056 20 0 FEADMM C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000042776442 670168503 /nfs/dbraw/zinc/16/85/03/670168503.db2.gz LASUKGRZHFAOQY-PHIMTYICSA-N -1 1 374.484 2.066 20 0 FEADMM CCN(CC[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1C ZINC000046036384 670212697 /nfs/dbraw/zinc/21/26/97/670212697.db2.gz VGFOBUQJBGQFQA-UHFFFAOYSA-N -1 1 356.879 2.187 20 0 FEADMM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000046315024 670220522 /nfs/dbraw/zinc/22/05/22/670220522.db2.gz AYRTXBVYYYIEFW-NSHDSACASA-N -1 1 365.407 2.178 20 0 FEADMM Cn1cc(Cl)cc1C(=O)N[N-]C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000046455742 670224828 /nfs/dbraw/zinc/22/48/28/670224828.db2.gz WWISBYKSGMOAJU-UHFFFAOYSA-N -1 1 361.764 2.283 20 0 FEADMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000046870209 670231417 /nfs/dbraw/zinc/23/14/17/670231417.db2.gz XIFCSTHDFPECDF-UHFFFAOYSA-N -1 1 372.805 2.002 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccc3c(c2)CCN3C=O)n1 ZINC000047221521 670236460 /nfs/dbraw/zinc/23/64/60/670236460.db2.gz GPVLBYQLPINFIP-UHFFFAOYSA-N -1 1 357.435 2.216 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)o1 ZINC000048111304 670257498 /nfs/dbraw/zinc/25/74/98/670257498.db2.gz WGNBCSPFRJZKDM-UHFFFAOYSA-N -1 1 360.435 2.426 20 0 FEADMM CN(NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000048120219 670258132 /nfs/dbraw/zinc/25/81/32/670258132.db2.gz WKIYYUUYEOFOTN-UHFFFAOYSA-N -1 1 351.428 2.138 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC(C)(C)CC ZINC000052172098 670309954 /nfs/dbraw/zinc/30/99/54/670309954.db2.gz OYWFVWVQAWIEIQ-UHFFFAOYSA-N -1 1 370.471 2.300 20 0 FEADMM CCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000053625477 670325265 /nfs/dbraw/zinc/32/52/65/670325265.db2.gz ROHWBOOSWQBMQL-UHFFFAOYSA-N -1 1 356.350 2.447 20 0 FEADMM O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1cc(F)c(F)cc1Cl ZINC000053625756 670325487 /nfs/dbraw/zinc/32/54/87/670325487.db2.gz AJQHCJVEDGPSLQ-UHFFFAOYSA-N -1 1 368.723 2.464 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2cccc(C(C)C)c2)C(=O)[N-]C1=S ZINC000054500837 670337631 /nfs/dbraw/zinc/33/76/31/670337631.db2.gz IFFZRZNPOPSJHX-QINSGFPZSA-N -1 1 361.467 2.386 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCc2nc3ccccc3[nH]2)c(=O)[n-]1 ZINC000054582571 670339337 /nfs/dbraw/zinc/33/93/37/670339337.db2.gz BTSJXCODAXQWAA-UHFFFAOYSA-N -1 1 358.423 2.353 20 0 FEADMM CCn1c(CCNC(=O)CCc2cccc(OC)c2OC)n[n-]c1=S ZINC000067075960 670452939 /nfs/dbraw/zinc/45/29/39/670452939.db2.gz WPBQMXIIGOGDAH-UHFFFAOYSA-N -1 1 364.471 2.269 20 0 FEADMM CC(=O)Nc1ccc(CC(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067093800 670453426 /nfs/dbraw/zinc/45/34/26/670453426.db2.gz SEMQTKZLZIBNQW-UHFFFAOYSA-N -1 1 359.455 2.135 20 0 FEADMM CCOC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000069056147 670479473 /nfs/dbraw/zinc/47/94/73/670479473.db2.gz SLXLEZQKVGFFSC-UHFFFAOYSA-N -1 1 363.391 2.207 20 0 FEADMM C/C=C\C[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OCC ZINC000569268241 670535101 /nfs/dbraw/zinc/53/51/01/670535101.db2.gz TVPJYLJYBYJBJH-WOLRVDTOSA-N -1 1 358.460 2.289 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(C)nn(COC)c1C)C(F)(F)F ZINC000569337333 670545296 /nfs/dbraw/zinc/54/52/96/670545296.db2.gz SZAZIMZCVNRFDU-UFBFGSQYSA-N -1 1 357.398 2.359 20 0 FEADMM Cc1cnc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)[n-]c1=O ZINC000569471260 670565707 /nfs/dbraw/zinc/56/57/07/670565707.db2.gz JEVVNDFKVOFRSH-UHFFFAOYSA-N -1 1 358.423 2.114 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000569532542 670574248 /nfs/dbraw/zinc/57/42/48/670574248.db2.gz VLENUHIBTBLBLN-UONOGXRCSA-N -1 1 365.455 2.227 20 0 FEADMM Cn1cc(CCN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cn1 ZINC000817293244 675118661 /nfs/dbraw/zinc/11/86/61/675118661.db2.gz LFJJXNGICYGTMV-CQSZACIVSA-N -1 1 352.360 2.072 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cc(Cl)c1[O-] ZINC000569789713 670612605 /nfs/dbraw/zinc/61/26/05/670612605.db2.gz FFLWYOXWLBKNDE-GJZGRUSLSA-N -1 1 368.861 2.427 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCCN(C)c2ccccc2)c(=O)[n-]1 ZINC000080397460 670623779 /nfs/dbraw/zinc/62/37/79/670623779.db2.gz QIQNPSUIPDOQDH-UHFFFAOYSA-N -1 1 361.467 2.412 20 0 FEADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000565468527 675124210 /nfs/dbraw/zinc/12/42/10/675124210.db2.gz SQYAKEAIWHFYEU-LSDHHAIUSA-N -1 1 360.435 2.344 20 0 FEADMM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cs1 ZINC000080800143 670632000 /nfs/dbraw/zinc/63/20/00/670632000.db2.gz ZGDSAVWARPQJDW-UHFFFAOYSA-N -1 1 351.375 2.105 20 0 FEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000081030226 670636118 /nfs/dbraw/zinc/63/61/18/670636118.db2.gz JJTZVDNRYYJYFK-QMMMGPOBSA-N -1 1 352.797 2.394 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1)C1CC1 ZINC000565477268 675125204 /nfs/dbraw/zinc/12/52/04/675125204.db2.gz HDGLWBWYJATUDE-IUODEOHRSA-N -1 1 365.455 2.066 20 0 FEADMM O=C(CCn1cccc1)N[N-]C(=O)c1cc(F)ccc1Br ZINC000081347624 670641180 /nfs/dbraw/zinc/64/11/80/670641180.db2.gz HJKIJDVVKZGNBN-UHFFFAOYSA-N -1 1 354.179 2.241 20 0 FEADMM COc1cc(C(C)=O)ccc1[S@](=O)CCC[N-]C(=O)C(F)(F)F ZINC000091538244 670728831 /nfs/dbraw/zinc/72/88/31/670728831.db2.gz WWWPGAWAYRMXCJ-QHCPKHFHSA-N -1 1 351.346 2.074 20 0 FEADMM CCO[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493063 675138921 /nfs/dbraw/zinc/13/89/21/675138921.db2.gz RBRPYFBVUNAEEN-OUCADQQQSA-N -1 1 356.344 2.048 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)C1CCOCC1)C(F)(F)F ZINC000817492829 675139013 /nfs/dbraw/zinc/13/90/13/675139013.db2.gz NIGVLFCYDRVMFU-ZDUSSCGKSA-N -1 1 356.344 2.049 20 0 FEADMM COCCN(C)S(=O)(=O)[N-]c1nn([C@H](C)c2ccccc2)cc1C ZINC000565662375 675141328 /nfs/dbraw/zinc/14/13/28/675141328.db2.gz VSVHWEIFBVPFLS-CQSZACIVSA-N -1 1 352.460 2.036 20 0 FEADMM CCCc1nc(=NC(=O)NC2CCN(Cc3ccccn3)CC2)s[n-]1 ZINC000571128602 670820862 /nfs/dbraw/zinc/82/08/62/670820862.db2.gz GAYWFCWCZROPNG-UHFFFAOYSA-N -1 1 360.487 2.094 20 0 FEADMM Cc1ccnc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)n1 ZINC000571490968 670881787 /nfs/dbraw/zinc/88/17/87/670881787.db2.gz RNOBBKTVUHMZJY-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM Cc1ccnc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000571490968 670881790 /nfs/dbraw/zinc/88/17/90/670881790.db2.gz RNOBBKTVUHMZJY-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cc(Br)ccc1[O-] ZINC000571538957 670889866 /nfs/dbraw/zinc/88/98/66/670889866.db2.gz PAFPGUHOAXJPKR-NEPJUHHUSA-N -1 1 353.216 2.038 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000571608681 670900105 /nfs/dbraw/zinc/90/01/05/670900105.db2.gz VNSXXRZOUSGHHH-UHFFFAOYSA-N -1 1 367.280 2.155 20 0 FEADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)N1CCc2sccc2C1 ZINC000116109746 670903406 /nfs/dbraw/zinc/90/34/06/670903406.db2.gz 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COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2OC)c([O-])c1 ZINC000436593376 673217789 /nfs/dbraw/zinc/21/77/89/673217789.db2.gz AYKXPJYYWPJBSZ-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM O=C(N=c1nc(-c2ccccc2Cl)[nH][n-]1)c1nnc2ccccc2n1 ZINC000438765572 673219204 /nfs/dbraw/zinc/21/92/04/673219204.db2.gz ONTVUYTXXWRMCS-UHFFFAOYSA-N -1 1 351.757 2.138 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)cc1C ZINC000595303123 673219413 /nfs/dbraw/zinc/21/94/13/673219413.db2.gz PCLHHBCGAVIBAS-LLVKDONJSA-N -1 1 371.386 2.260 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1C ZINC000595312165 673221752 /nfs/dbraw/zinc/22/17/52/673221752.db2.gz MNESBHYXIVGRGE-DOMZBBRYSA-N -1 1 373.471 2.494 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2C)cc1C ZINC000595316811 673222304 /nfs/dbraw/zinc/22/23/04/673222304.db2.gz KHRLRQIOCGDSTK-CYBMUJFWSA-N -1 1 367.423 2.429 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)cc1C ZINC000595328789 673225777 /nfs/dbraw/zinc/22/57/77/673225777.db2.gz LPNAXRUQCTYDJX-NEPJUHHUSA-N -1 1 359.444 2.245 20 0 FEADMM CCc1ccc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)nc1 ZINC000613250952 676119671 /nfs/dbraw/zinc/11/96/71/676119671.db2.gz WHKFYOFDPSAFAQ-UHFFFAOYSA-N -1 1 351.403 2.336 20 0 FEADMM C[C@@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@H](C)O1 ZINC000730358954 673277576 /nfs/dbraw/zinc/27/75/76/673277576.db2.gz FGYAHDSMOSPBEK-DTORHVGOSA-N -1 1 362.209 2.492 20 0 FEADMM CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359999 673277663 /nfs/dbraw/zinc/27/76/63/673277663.db2.gz BYTUBLVLLIDHMP-UHFFFAOYSA-N -1 1 363.197 2.338 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(=O)OCC ZINC000463228580 673301994 /nfs/dbraw/zinc/30/19/94/673301994.db2.gz CSHLKQBCOCFSBN-YETLWEMFSA-N -1 1 371.499 2.199 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000476510568 673315360 /nfs/dbraw/zinc/31/53/60/673315360.db2.gz LRTRKPMWGBEGSD-UHFFFAOYSA-N -1 1 362.407 2.274 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000732218601 673358428 /nfs/dbraw/zinc/35/84/28/673358428.db2.gz WTYCZOOFDXTRPQ-UHFFFAOYSA-N -1 1 358.379 2.133 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536739009 673379304 /nfs/dbraw/zinc/37/93/04/673379304.db2.gz GFBKGHVSXDNRSP-VIFPVBQESA-N -1 1 370.814 2.099 20 0 FEADMM O=C(CC[C@H]1CCCCO1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000537768645 673406601 /nfs/dbraw/zinc/40/66/01/673406601.db2.gz OYGBZMYHGHPDNE-CYBMUJFWSA-N -1 1 368.455 2.121 20 0 FEADMM CC(C)c1ccc(OCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000537850448 673411282 /nfs/dbraw/zinc/41/12/82/673411282.db2.gz MHOKWBGXFCZUIJ-UHFFFAOYSA-N -1 1 364.423 2.181 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(C2CC2)no1 ZINC000733459147 673418912 /nfs/dbraw/zinc/41/89/12/673418912.db2.gz IRVKSIRTDFXZTH-UHFFFAOYSA-N -1 1 365.411 2.456 20 0 FEADMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000538851539 673462543 /nfs/dbraw/zinc/46/25/43/673462543.db2.gz QVUSNFYENXFGID-UHFFFAOYSA-N -1 1 360.750 2.167 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC)cc2)c1 ZINC000735270394 673488592 /nfs/dbraw/zinc/48/85/92/673488592.db2.gz PALBOKDMPKWWMB-UHFFFAOYSA-N -1 1 364.423 2.490 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000539705119 673502151 /nfs/dbraw/zinc/50/21/51/673502151.db2.gz SAZQKOVXYDHXHK-UHFFFAOYSA-N -1 1 372.855 2.424 20 0 FEADMM Cc1cccc(CSCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000539705481 673502156 /nfs/dbraw/zinc/50/21/56/673502156.db2.gz HKBVTMXDHOTTHN-UHFFFAOYSA-N -1 1 366.464 2.220 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSCc1ccncc1 ZINC000540253808 673531549 /nfs/dbraw/zinc/53/15/49/673531549.db2.gz UEYWTFOLKLRGHW-UHFFFAOYSA-N -1 1 369.443 2.464 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1 ZINC000540337418 673534817 /nfs/dbraw/zinc/53/48/17/673534817.db2.gz ABVYKTNMUKFVQR-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM O=S(=O)(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1c[n-]cn1 ZINC000736631014 673535061 /nfs/dbraw/zinc/53/50/61/673535061.db2.gz BYCYCAGUKIQVBL-LBPRGKRZSA-N -1 1 362.367 2.079 20 0 FEADMM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)OC)co2)c1 ZINC000540484010 673542192 /nfs/dbraw/zinc/54/21/92/673542192.db2.gz SXICKKLPOPCQQH-CABCVRRESA-N -1 1 365.407 2.299 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccn(C(C)C)n2)c1F ZINC000599239691 673646853 /nfs/dbraw/zinc/64/68/53/673646853.db2.gz OOYWAXUIFFEXTQ-UHFFFAOYSA-N -1 1 373.381 2.007 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(F)c(C)c1)C1CC1 ZINC000599278505 673652600 /nfs/dbraw/zinc/65/26/00/673652600.db2.gz HLDPJDADNJMCQW-HZPDHXFCSA-N -1 1 373.446 2.083 20 0 FEADMM CCC(C)(C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000599282962 673653412 /nfs/dbraw/zinc/65/34/12/673653412.db2.gz WBTABAVVPOJQHZ-HNNXBMFYSA-N -1 1 373.471 2.274 20 0 FEADMM COC(=O)c1conc1C(C)(C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000599944819 673729075 /nfs/dbraw/zinc/72/90/75/673729075.db2.gz ZYENGLOKXHJBST-UHFFFAOYSA-N -1 1 368.773 2.494 20 0 FEADMM O=C(NCCc1ccc[nH]1)c1ccc(I)c([O-])c1 ZINC000544880088 673738654 /nfs/dbraw/zinc/73/86/54/673738654.db2.gz KPCPRODKZZJQDU-UHFFFAOYSA-N -1 1 356.163 2.297 20 0 FEADMM Cc1nsc([N-]C(=O)c2cn(-c3ccccc3Br)nn2)n1 ZINC000742829697 673739022 /nfs/dbraw/zinc/73/90/22/673739022.db2.gz YEKWVMHIZOCDKX-UHFFFAOYSA-N -1 1 365.216 2.442 20 0 FEADMM CCOc1cc(C(=O)N(CC(=O)OC)C2CCOCC2)cc(Cl)c1[O-] ZINC000545146943 673746652 /nfs/dbraw/zinc/74/66/52/673746652.db2.gz AFTVTFHYPIXLPI-UHFFFAOYSA-N -1 1 371.817 2.239 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)n(-c2ccncc2)n1 ZINC000743048134 673747715 /nfs/dbraw/zinc/74/77/15/673747715.db2.gz JAJMVUWMRNROHM-UHFFFAOYSA-N -1 1 366.834 2.072 20 0 FEADMM CCCCOc1c(Cl)cc(C(=O)NCc2nn[n-]n2)cc1OCC ZINC000600494199 673774323 /nfs/dbraw/zinc/77/43/23/673774323.db2.gz FWXFKJKBOQAUME-UHFFFAOYSA-N -1 1 353.810 2.361 20 0 FEADMM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(I)c([O-])c1 ZINC000600523267 673776378 /nfs/dbraw/zinc/77/63/78/673776378.db2.gz WDSORMJGRFNMRS-GXFFZTMASA-N -1 1 373.190 2.294 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H]2CCCCS2(=O)=O)cc(Cl)c1[O-] ZINC000545850488 673777892 /nfs/dbraw/zinc/77/78/92/673777892.db2.gz OOMGDWJSQPTAQR-NSHDSACASA-N -1 1 361.847 2.141 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)sc1C ZINC000546603934 673805786 /nfs/dbraw/zinc/80/57/86/673805786.db2.gz SJLPBFKPEJNQQB-UHFFFAOYSA-N -1 1 358.514 2.164 20 0 FEADMM CCOC(=O)N[C@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])C(C)C ZINC000744710663 673807934 /nfs/dbraw/zinc/80/79/34/673807934.db2.gz AJVYMSMRVDUHBR-INIZCTEOSA-N -1 1 351.399 2.451 20 0 FEADMM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1ccc(Br)o1 ZINC000546799042 673819600 /nfs/dbraw/zinc/81/96/00/673819600.db2.gz IRVZXZILGZJIJG-UHFFFAOYSA-N -1 1 374.212 2.292 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000546969868 673829649 /nfs/dbraw/zinc/82/96/49/673829649.db2.gz PLLQZZCAINCTFE-XPTSAGLGSA-N -1 1 372.874 2.108 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CC[C@H](SC)C2)cc1[N-]S(C)(=O)=O ZINC000745898640 673856296 /nfs/dbraw/zinc/85/62/96/673856296.db2.gz YMIMHQGVSRSZOX-JQWIXIFHSA-N -1 1 373.500 2.472 20 0 FEADMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601462906 673866691 /nfs/dbraw/zinc/86/66/91/673866691.db2.gz FFOZIXDTWSRIEY-QWHCGFSZSA-N -1 1 355.818 2.157 20 0 FEADMM O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000547653890 673878593 /nfs/dbraw/zinc/87/85/93/673878593.db2.gz QIDKIZUETKQCQP-MRVPVSSYSA-N -1 1 363.834 2.325 20 0 FEADMM C[C@]([N-]S(=O)(=O)c1cccc2c1OCCO2)(C1CC1)C(F)(F)F ZINC000547818405 673891252 /nfs/dbraw/zinc/89/12/52/673891252.db2.gz BUXYWOXGOFTZMU-ZDUSSCGKSA-N -1 1 351.346 2.467 20 0 FEADMM C[C@@]([N-]S(=O)(=O)c1cccc2c1OCCO2)(C1CC1)C(F)(F)F ZINC000547818404 673891300 /nfs/dbraw/zinc/89/13/00/673891300.db2.gz BUXYWOXGOFTZMU-CYBMUJFWSA-N -1 1 351.346 2.467 20 0 FEADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000747421868 673927850 /nfs/dbraw/zinc/92/78/50/673927850.db2.gz WDXYQUFMOWFVOD-CHWSQXEVSA-N -1 1 363.845 2.231 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)C(F)(F)F ZINC000548147160 673928508 /nfs/dbraw/zinc/92/85/08/673928508.db2.gz TYSCAHPJPRXQDV-MRVPVSSYSA-N -1 1 353.288 2.455 20 0 FEADMM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2cccnc2)cc1OC(F)F ZINC000548569415 673974052 /nfs/dbraw/zinc/97/40/52/673974052.db2.gz LGADIXVPTKIOOE-UHFFFAOYSA-N -1 1 374.321 2.191 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2CC[C@H](CC)O2)n[n-]1 ZINC000548722456 673990235 /nfs/dbraw/zinc/99/02/35/673990235.db2.gz SSSUKOOOZANGGL-AVGNSLFASA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2CC[C@H](CC)O2)[n-]1 ZINC000548722456 673990239 /nfs/dbraw/zinc/99/02/39/673990239.db2.gz SSSUKOOOZANGGL-AVGNSLFASA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2CC[C@H](CC)O2)n1 ZINC000548722456 673990240 /nfs/dbraw/zinc/99/02/40/673990240.db2.gz SSSUKOOOZANGGL-AVGNSLFASA-N -1 1 352.435 2.142 20 0 FEADMM CC(C)Cn1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C(F)F)n1 ZINC000566601830 675227696 /nfs/dbraw/zinc/22/76/96/675227696.db2.gz MZPPHVQLHPWPPM-SNVBAGLBSA-N -1 1 353.377 2.010 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc3c2CCNC3=O)no1 ZINC000566607831 675228322 /nfs/dbraw/zinc/22/83/22/675228322.db2.gz QKRPDAKTYHFDPF-UHFFFAOYSA-N -1 1 363.439 2.200 20 0 FEADMM Cc1cnc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)nc1 ZINC000566644517 675231312 /nfs/dbraw/zinc/23/13/12/675231312.db2.gz QQVLXRRLMYMJLM-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM Cc1cnc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)nc1 ZINC000566644517 675231314 /nfs/dbraw/zinc/23/13/14/675231314.db2.gz QQVLXRRLMYMJLM-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(N)ccc32)o1 ZINC000566689248 675235385 /nfs/dbraw/zinc/23/53/85/675235385.db2.gz MVYXHOSGAXILIE-ZDUSSCGKSA-N -1 1 350.396 2.004 20 0 FEADMM O=C([O-])c1coc(NCCCN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000566799181 675243670 /nfs/dbraw/zinc/24/36/70/675243670.db2.gz BGQMVUCEWLVCLN-UHFFFAOYSA-N -1 1 364.833 2.650 20 0 FEADMM CCC(CC)NC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000567013112 675260180 /nfs/dbraw/zinc/26/01/80/675260180.db2.gz PZOSMMHCIOYHKP-LBPRGKRZSA-N -1 1 364.471 2.247 20 0 FEADMM CCC(CC)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000567013112 675260182 /nfs/dbraw/zinc/26/01/82/675260182.db2.gz PZOSMMHCIOYHKP-LBPRGKRZSA-N -1 1 364.471 2.247 20 0 FEADMM C[C@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)n1cccn1 ZINC000819533168 675296925 /nfs/dbraw/zinc/29/69/25/675296925.db2.gz FOZGDRBZJKOABS-OPDFLTKYSA-N -1 1 360.380 2.138 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1nc2ccccc2s1)NC1CCCCC1 ZINC000567497336 675298279 /nfs/dbraw/zinc/29/82/79/675298279.db2.gz RIMCHWWBXJNWQF-UHFFFAOYSA-N -1 1 367.496 2.414 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1(F)F ZINC000567529848 675300153 /nfs/dbraw/zinc/30/01/53/675300153.db2.gz LRKDGYBYNYXJSZ-SNVBAGLBSA-N -1 1 364.414 2.474 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CO1 ZINC000567961032 675339340 /nfs/dbraw/zinc/33/93/40/675339340.db2.gz GPRQFNOXYMFFJW-CJNGLKHVSA-N -1 1 360.435 2.395 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OC2CCC3(CC2)OCCO3)c1 ZINC000820416778 675361385 /nfs/dbraw/zinc/36/13/85/675361385.db2.gz VPRORYPLJXPWLZ-XMMPIXPASA-N -1 1 354.424 2.032 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCC2CCC3(CC2)OCCO3)c1 ZINC000820626038 675375232 /nfs/dbraw/zinc/37/52/32/675375232.db2.gz DOMXNIGRRFRETG-RUZDIDTESA-N -1 1 368.451 2.279 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3scnc3C)n[n-]2)cc1 ZINC000568615504 675386312 /nfs/dbraw/zinc/38/63/12/675386312.db2.gz QPIGJKZZVWVGGL-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000820782165 675387276 /nfs/dbraw/zinc/38/72/76/675387276.db2.gz YBIMPJJVZDQGSL-GFCCVEGCSA-N -1 1 364.489 2.459 20 0 FEADMM CC1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)COC1 ZINC000824784714 675621916 /nfs/dbraw/zinc/62/19/16/675621916.db2.gz ZWRVNLHIYWCTMR-UHFFFAOYSA-N -1 1 355.423 2.248 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@@H]12 ZINC000824993647 675632551 /nfs/dbraw/zinc/63/25/51/675632551.db2.gz RCEBBNNQFMRWIS-GMXABZIVSA-N -1 1 365.434 2.205 20 0 FEADMM COc1ccccc1C1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000825669798 675663108 /nfs/dbraw/zinc/66/31/08/675663108.db2.gz AXRBCGMSFPGKAX-UHFFFAOYSA-N -1 1 354.435 2.488 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1-c1nnn[n-]1 ZINC000826346335 675686661 /nfs/dbraw/zinc/68/66/61/675686661.db2.gz JWISIDKBKZGTQB-LBPRGKRZSA-N -1 1 358.789 2.163 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1-c1nn[n-]n1 ZINC000826346335 675686662 /nfs/dbraw/zinc/68/66/62/675686662.db2.gz JWISIDKBKZGTQB-LBPRGKRZSA-N -1 1 358.789 2.163 20 0 FEADMM Clc1ccc(NC[C@H]2COC3(CCCCC3)O2)nc1-c1nnn[n-]1 ZINC000826352534 675686899 /nfs/dbraw/zinc/68/68/99/675686899.db2.gz FMAAEIHKMLBXJY-JTQLQIEISA-N -1 1 350.810 2.403 20 0 FEADMM Clc1ccc(NC[C@H]2COC3(CCCCC3)O2)nc1-c1nn[n-]n1 ZINC000826352534 675686900 /nfs/dbraw/zinc/68/69/00/675686900.db2.gz FMAAEIHKMLBXJY-JTQLQIEISA-N -1 1 350.810 2.403 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cnn(C3CCC3)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826685803 675700306 /nfs/dbraw/zinc/70/03/06/675700306.db2.gz JNJXVINIWDGCJF-MFKMUULPSA-N -1 1 358.364 2.137 20 0 FEADMM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OC ZINC000827815204 675780985 /nfs/dbraw/zinc/78/09/85/675780985.db2.gz PVQKLTQUAJBPMW-DOMZBBRYSA-N -1 1 353.440 2.317 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000828011605 675792047 /nfs/dbraw/zinc/79/20/47/675792047.db2.gz MXCUGKMYDBIVOS-GJZGRUSLSA-N -1 1 357.472 2.271 20 0 FEADMM COc1cc(C(=O)Nc2c([O-])cccc2F)cc(Cl)c1OCC(N)=O ZINC000605437569 675815279 /nfs/dbraw/zinc/81/52/79/675815279.db2.gz PEOUAOFQBTVXNQ-UHFFFAOYSA-N -1 1 368.748 2.310 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000605492943 675816163 /nfs/dbraw/zinc/81/61/63/675816163.db2.gz PZMMDNMYRYLXAQ-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM CCOC(=O)CS[C@H](CNC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000828508779 675825058 /nfs/dbraw/zinc/82/50/58/675825058.db2.gz FMDJPIVRBLDXKH-LLVKDONJSA-N -1 1 369.336 2.488 20 0 FEADMM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)s1 ZINC000606753091 675840577 /nfs/dbraw/zinc/84/05/77/675840577.db2.gz RRDYNYNDYBLIKE-SNVBAGLBSA-N -1 1 364.452 2.394 20 0 FEADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000828850538 675848494 /nfs/dbraw/zinc/84/84/94/675848494.db2.gz NZGSWGFNDFAWOP-SNVBAGLBSA-N -1 1 364.751 2.463 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)C[C@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000607208133 675860782 /nfs/dbraw/zinc/86/07/82/675860782.db2.gz PQELXGTYTSGHIW-DGCLKSJQSA-N -1 1 371.459 2.146 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)o1 ZINC000615897844 676233125 /nfs/dbraw/zinc/23/31/25/676233125.db2.gz CGNOIHSJAUWYSV-LBPRGKRZSA-N -1 1 366.443 2.057 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCSc2ccccc2Cl)n[n-]1 ZINC000615918889 676233489 /nfs/dbraw/zinc/23/34/89/676233489.db2.gz CUUNIOZFIRXXME-UHFFFAOYSA-N -1 1 368.846 2.433 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCSc2ccccc2Cl)n1 ZINC000615918889 676233492 /nfs/dbraw/zinc/23/34/92/676233492.db2.gz CUUNIOZFIRXXME-UHFFFAOYSA-N -1 1 368.846 2.433 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)n[n-]1 ZINC000615920008 676233818 /nfs/dbraw/zinc/23/38/18/676233818.db2.gz ORTCQONVJHRSGD-JTQLQIEISA-N -1 1 366.805 2.027 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 ZINC000615920008 676233820 /nfs/dbraw/zinc/23/38/20/676233820.db2.gz ORTCQONVJHRSGD-JTQLQIEISA-N -1 1 366.805 2.027 20 0 FEADMM COc1cc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)cc(Cl)c1[O-] ZINC000616869903 676260904 /nfs/dbraw/zinc/26/09/04/676260904.db2.gz IDJGDNLDPBZRJU-CQSZACIVSA-N -1 1 367.833 2.277 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C(C)(C)C2)co1 ZINC000617517948 676290269 /nfs/dbraw/zinc/29/02/69/676290269.db2.gz 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1 366.874 2.487 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](CN2CCCC2=O)c2ccccc2)sn1 ZINC000631761867 676955854 /nfs/dbraw/zinc/95/58/54/676955854.db2.gz VTNWNSUIUZFELG-AWEZNQCLSA-N -1 1 365.480 2.094 20 0 FEADMM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)[N-]Cc1nc(C(F)(F)F)no1 ZINC000632198724 676981182 /nfs/dbraw/zinc/98/11/82/676981182.db2.gz MBMKDTBWAYRLLJ-SSDOTTSWSA-N -1 1 363.308 2.333 20 0 FEADMM O=C(CCc1nn[n-]n1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000632336864 676988820 /nfs/dbraw/zinc/98/88/20/676988820.db2.gz QEWRWXYLZPITAI-NSHDSACASA-N -1 1 365.262 2.154 20 0 FEADMM CC(C)([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)c1ccccc1 ZINC000632355171 676989883 /nfs/dbraw/zinc/98/98/83/676989883.db2.gz YNKCERNUBZRTGQ-UHFFFAOYSA-N -1 1 361.345 2.368 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1nc(C(F)(F)F)no1 ZINC000632480859 676996985 /nfs/dbraw/zinc/99/69/85/676996985.db2.gz ZXKQGVCCVZSWNY-SSDOTTSWSA-N -1 1 353.297 2.408 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3cnn(C)c3)C2)c(F)c1 ZINC000632531995 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FEADMM NC(=O)C1(NC(=O)Cc2ccc([O-])c(Cl)c2)C2CC3CC(C2)CC1C3 ZINC000633407329 677046681 /nfs/dbraw/zinc/04/66/81/677046681.db2.gz QPBKMMKIUBYWRC-UHFFFAOYSA-N -1 1 362.857 2.385 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N(CCN1CCOCC1)CC1CC1 ZINC000633642684 677058293 /nfs/dbraw/zinc/05/82/93/677058293.db2.gz QZZCNSJDVHPBAV-UHFFFAOYSA-N -1 1 352.862 2.159 20 0 FEADMM O=C(CCc1nn[n-]n1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000633648174 677058621 /nfs/dbraw/zinc/05/86/21/677058621.db2.gz CDDIQUNSVTUEPT-CYBMUJFWSA-N -1 1 364.247 2.479 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)[C@@H](O)c1c(F)cccc1Cl ZINC000830759879 677059394 /nfs/dbraw/zinc/05/93/94/677059394.db2.gz JAARIWYVQVMAFZ-UPONEAKYSA-N -1 1 368.217 2.256 20 0 FEADMM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000830778811 677059998 /nfs/dbraw/zinc/05/99/98/677059998.db2.gz OGXBWNFRFSPZCK-QWHCGFSZSA-N -1 1 353.431 2.463 20 0 FEADMM Cc1ccc2n[nH]cc2c1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830784040 677060298 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C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2C[C@H](OCC(C)C)C2(C)C)o1 ZINC000761197525 680714568 /nfs/dbraw/zinc/71/45/68/680714568.db2.gz MJXKWAFWNMJSDS-QWHCGFSZSA-N -1 1 359.444 2.184 20 0 FEADMM COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])o1 ZINC000654966460 677615297 /nfs/dbraw/zinc/61/52/97/677615297.db2.gz AQGGAKPWCJPXID-UHFFFAOYSA-N -1 1 366.395 2.031 20 0 FEADMM CC(C)(C)n1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000654982643 677616096 /nfs/dbraw/zinc/61/60/96/677616096.db2.gz XEGQVRKDFHNSFG-UHFFFAOYSA-N -1 1 354.407 2.401 20 0 FEADMM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C12CCCCC2 ZINC000761213980 680715262 /nfs/dbraw/zinc/71/52/62/680715262.db2.gz FHEXULSZIJVBPA-ZIAGYGMSSA-N -1 1 371.455 2.472 20 0 FEADMM CC(C)[C@H](CNC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000655568690 677649665 /nfs/dbraw/zinc/64/96/65/677649665.db2.gz QENKNUAYIMZLGL-JTQLQIEISA-N -1 1 354.204 2.412 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000655858000 677668136 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FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN(C)C3=O)c1 ZINC000656635351 677798113 /nfs/dbraw/zinc/79/81/13/677798113.db2.gz UUVFSKSJCSZMAB-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM CN1CCc2c([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cccc2C1=O ZINC000656635886 677798259 /nfs/dbraw/zinc/79/82/59/677798259.db2.gz LXFNZQMDHLEZQK-UHFFFAOYSA-N -1 1 358.419 2.050 20 0 FEADMM CCn1c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)nc2cccnc21 ZINC000656734063 677822907 /nfs/dbraw/zinc/82/29/07/677822907.db2.gz IMVNGXSBKLWBGA-AWEZNQCLSA-N -1 1 352.460 2.398 20 0 FEADMM O=S(=O)(CCc1ccccc1Cl)[N-]Cc1nc(C(F)(F)F)no1 ZINC000656957752 677886169 /nfs/dbraw/zinc/88/61/69/677886169.db2.gz VBENRLLIRVSUGX-UHFFFAOYSA-N -1 1 369.752 2.404 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]Cc1nnc(SC)s1)C1CCCCC1 ZINC000656969017 677891638 /nfs/dbraw/zinc/89/16/38/677891638.db2.gz ZGEQEMSLOVMGEW-NSHDSACASA-N -1 1 365.546 2.275 20 0 FEADMM CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000657075537 677935730 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/nfs/dbraw/zinc/49/28/61/691492861.db2.gz BMVICUHKURXRKC-ZDUSSCGKSA-N -1 1 351.863 2.493 20 0 FEADMM COc1ccc2oc(C)c(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)c2c1 ZINC000907477824 691495830 /nfs/dbraw/zinc/49/58/30/691495830.db2.gz SQNNMZNHRCQNKA-GFCCVEGCSA-N -1 1 359.411 2.193 20 0 FEADMM Cc1c(Br)scc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480173 691497195 /nfs/dbraw/zinc/49/71/95/691497195.db2.gz RBVKLLOLDOOTBF-QMMMGPOBSA-N -1 1 374.289 2.262 20 0 FEADMM O=C(C[C@@H]1OCc2cc(Cl)ccc21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481010 691497607 /nfs/dbraw/zinc/49/76/07/691497607.db2.gz RYOJWLNOVXSKJO-OLZOCXBDSA-N -1 1 365.846 2.131 20 0 FEADMM Cc1cccc([C@H]([N-]S(=O)(=O)c2cnn(C)c2)C(=O)OC(C)(C)C)c1 ZINC000907661826 691535514 /nfs/dbraw/zinc/53/55/14/691535514.db2.gz RQRVDPSTCPHMDQ-HNNXBMFYSA-N -1 1 365.455 2.090 20 0 FEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H](CCO)C1CCCC1)C1CCCCC1 ZINC000907818900 691564962 /nfs/dbraw/zinc/56/49/62/691564962.db2.gz PQGQENOVCRYBHQ-OYHNWAKOSA-N -1 1 366.549 2.193 20 0 FEADMM C[C@H]([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)c1cncs1 ZINC000907931576 691585582 /nfs/dbraw/zinc/58/55/82/691585582.db2.gz BSHGKDMTGVSPBC-KPWVOAKYSA-N -1 1 374.513 2.042 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)c1cncs1 ZINC000907931577 691585652 /nfs/dbraw/zinc/58/56/52/691585652.db2.gz BSHGKDMTGVSPBC-RKFFSXRUSA-N -1 1 374.513 2.042 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@]23C[C@H]2COC32CCC2)c(F)c1 ZINC000908114594 691616862 /nfs/dbraw/zinc/61/68/62/691616862.db2.gz OWJTYCALYLESEJ-ZUZCIYMTSA-N -1 1 359.394 2.211 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC12CCCC2)c1ccc(Br)o1 ZINC000908188017 691633821 /nfs/dbraw/zinc/63/38/21/691633821.db2.gz WIDKIEYMURDPJH-VIFPVBQESA-N -1 1 350.234 2.422 20 0 FEADMM CC[C@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C[C@H](C)S1(=O)=O ZINC000908196404 691635860 /nfs/dbraw/zinc/63/58/60/691635860.db2.gz WZHIIWJJMCEJAX-QWRGUYRKSA-N -1 1 366.414 2.117 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000908300035 691654607 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691890062 /nfs/dbraw/zinc/89/00/62/691890062.db2.gz ZQLLSEXAOOBUCS-LJQANCHMSA-N -1 1 352.475 2.267 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000910254163 691906713 /nfs/dbraw/zinc/90/67/13/691906713.db2.gz HZXLVBSTFSFQLV-LXZKKBNFSA-N -1 1 366.845 2.083 20 0 FEADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910936128 939759757 /nfs/dbraw/zinc/75/97/57/939759757.db2.gz MHSMLBUMUXPQBA-RDTXWAMCSA-N -1 1 356.422 2.050 20 0 FEADMM C[C@@H]1CC[C@](NC(=O)CN(C)[C@@H]2CCSC2)(C(=O)[O-])c2ccccc21 ZINC001123397353 939825202 /nfs/dbraw/zinc/82/52/02/939825202.db2.gz FMSNQVHHDDZYBT-PJIJBLCYSA-N -1 1 362.495 2.417 20 0 FEADMM COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC001263630080 939829000 /nfs/dbraw/zinc/82/90/00/939829000.db2.gz ZROOXABNFUBYIK-LJQANCHMSA-N -1 1 358.394 2.137 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2cccc(Cl)c2n1 ZINC000508075785 538926287 /nfs/dbraw/zinc/92/62/87/538926287.db2.gz LIINDBIYSODMAO-UHFFFAOYSA-N -1 1 356.769 2.357 20 0 FEADMM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(I)c([O-])c1 ZINC000230888177 548761913 /nfs/dbraw/zinc/76/19/13/548761913.db2.gz KIYFJEHTGJEFPU-BDAKNGLRSA-N -1 1 361.179 2.246 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)nc2Cl)co1 ZINC000800189134 674031310 /nfs/dbraw/zinc/03/13/10/674031310.db2.gz GLZXKFUDCLFEBR-UHFFFAOYSA-N -1 1 365.194 2.247 20 0 FEADMM COc1cnc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)nc1 ZINC000549464228 674042940 /nfs/dbraw/zinc/04/29/40/674042940.db2.gz PFIYGIQCJLZBKJ-UHFFFAOYSA-N -1 1 359.436 2.881 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2n(C)c1=O ZINC000005013524 539399762 /nfs/dbraw/zinc/39/97/62/539399762.db2.gz LUTJJOOJXRNPKW-UHFFFAOYSA-N -1 1 351.815 2.331 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1 ZINC000007053650 539445539 /nfs/dbraw/zinc/44/55/39/539445539.db2.gz VGBMWCGQAXAULH-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM CCOC1CC(O)(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000549754199 674061003 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FEADMM COC(=O)CCCNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000022750647 539698060 /nfs/dbraw/zinc/69/80/60/539698060.db2.gz HCYNQXJQCQOSKE-UHFFFAOYSA-N -1 1 362.455 2.376 20 0 FEADMM NC(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000023098237 539705697 /nfs/dbraw/zinc/70/56/97/539705697.db2.gz BWULFHKMQOTVNO-UHFFFAOYSA-N -1 1 352.390 2.226 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000024244733 539728205 /nfs/dbraw/zinc/72/82/05/539728205.db2.gz YTZWQODRMQQWTI-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2[O-])cc1)n1cncn1 ZINC000024706373 539739124 /nfs/dbraw/zinc/73/91/24/539739124.db2.gz LNBVPPICXIECQV-LBPRGKRZSA-N -1 1 351.366 2.436 20 0 FEADMM COCCCNC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000028202681 539827816 /nfs/dbraw/zinc/82/78/16/539827816.db2.gz OCZQYVXNJZKFMV-UHFFFAOYSA-N -1 1 350.444 2.159 20 0 FEADMM COc1ccc(CCS(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)cc1 ZINC000800786092 674076526 /nfs/dbraw/zinc/07/65/26/674076526.db2.gz YPRHXLICHXQAJV-UHFFFAOYSA-N -1 1 358.423 2.260 20 0 FEADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1 ZINC000029044580 539841547 /nfs/dbraw/zinc/84/15/47/539841547.db2.gz XMOAYEZCINMFMS-UHFFFAOYSA-N -1 1 373.438 2.498 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000031488064 539908887 /nfs/dbraw/zinc/90/88/87/539908887.db2.gz UYCHHKAJCKBLDN-UHFFFAOYSA-N -1 1 358.803 2.410 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000032595825 539944275 /nfs/dbraw/zinc/94/42/75/539944275.db2.gz OIOILQVCHADCLH-UHFFFAOYSA-N -1 1 365.407 2.356 20 0 FEADMM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1cc(F)ccc1F ZINC000045806771 540229155 /nfs/dbraw/zinc/22/91/55/540229155.db2.gz UEMXBJQBFNKFJI-UHFFFAOYSA-N -1 1 353.394 2.439 20 0 FEADMM Cn1c(Cc2csc(NC(=O)CC[C@@H]3CCCO3)n2)n[n-]c1=S ZINC000047437067 540311083 /nfs/dbraw/zinc/31/10/83/540311083.db2.gz PDZCTIARZVPJBT-JTQLQIEISA-N -1 1 353.473 2.423 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c(C)c1 ZINC000050531452 540407020 /nfs/dbraw/zinc/40/70/20/540407020.db2.gz XZPQWIOHCVGPGE-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000053756915 540552174 /nfs/dbraw/zinc/55/21/74/540552174.db2.gz DFSMJGIIIYSQGK-CYBMUJFWSA-N -1 1 373.261 2.368 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1C ZINC000055572550 540659864 /nfs/dbraw/zinc/65/98/64/540659864.db2.gz ZZMJQUZCCCTPIW-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1 ZINC000055650680 540667954 /nfs/dbraw/zinc/66/79/54/540667954.db2.gz RABWQCULKJEUMI-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)CCc1ccco1 ZINC000056157892 540708641 /nfs/dbraw/zinc/70/86/41/540708641.db2.gz KSLGLXUTZMADFH-ZDUSSCGKSA-N -1 1 366.421 2.413 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000057504582 540800806 /nfs/dbraw/zinc/80/08/06/540800806.db2.gz KXKQXPAKEQGSGC-SFHVURJKSA-N -1 1 373.434 2.104 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1 ZINC000060212838 540869835 /nfs/dbraw/zinc/86/98/35/540869835.db2.gz AZOXJXGGJPDERF-UHFFFAOYSA-N -1 1 355.437 2.041 20 0 FEADMM COc1ccc(NC(=O)c2ccc3c(c2)COC3)cc1[N-]S(C)(=O)=O ZINC000064487702 541208396 /nfs/dbraw/zinc/20/83/96/541208396.db2.gz HSAQMLFKVMUUBG-UHFFFAOYSA-N -1 1 362.407 2.349 20 0 FEADMM COc1ccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000064316772 541200610 /nfs/dbraw/zinc/20/06/10/541200610.db2.gz GBXKXPKCRFEJJF-UHFFFAOYSA-N -1 1 354.410 2.309 20 0 FEADMM CCn1c(CNC(=O)CCc2nnc(-c3ccccc3)o2)n[n-]c1=S ZINC000066636399 541351465 /nfs/dbraw/zinc/35/14/65/541351465.db2.gz DQHIODJBMUIGEI-UHFFFAOYSA-N -1 1 358.427 2.260 20 0 FEADMM CCn1c(CNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)n[n-]c1=S ZINC000066636979 541351766 /nfs/dbraw/zinc/35/17/66/541351766.db2.gz IWYFALSHDLOYGI-LLVKDONJSA-N -1 1 353.492 2.052 20 0 FEADMM COc1ccc2c(c1)OC[C@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)C2 ZINC000066639934 541352508 /nfs/dbraw/zinc/35/25/08/541352508.db2.gz VSVNUAPZPVNOQA-GFCCVEGCSA-N -1 1 362.455 2.398 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)n[n-]c1=S ZINC000066640221 541352720 /nfs/dbraw/zinc/35/27/20/541352720.db2.gz VBYPALMXEJMVNY-UHFFFAOYSA-N -1 1 359.411 2.400 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(C)c(C(N)=O)c2)c1 ZINC000066714148 541364635 /nfs/dbraw/zinc/36/46/35/541364635.db2.gz QXWDOKBFQJCMJF-UHFFFAOYSA-N -1 1 361.423 2.026 20 0 FEADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1n[n-]c(=S)n1C ZINC000067050099 541411152 /nfs/dbraw/zinc/41/11/52/541411152.db2.gz JANGVWUYOGCACI-PSASIEDQSA-N -1 1 363.418 2.141 20 0 FEADMM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067072963 541413629 /nfs/dbraw/zinc/41/36/29/541413629.db2.gz HGJDKMVMXPRKQW-HNNXBMFYSA-N -1 1 373.482 2.158 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n[n-]c1=S ZINC000067073083 541414098 /nfs/dbraw/zinc/41/40/98/541414098.db2.gz SNRWXWIOXOJKIJ-SNVBAGLBSA-N -1 1 357.480 2.093 20 0 FEADMM Cc1n[nH]c(CCNC(=O)N=c2[n-]nc(Cc3ccccc3F)s2)n1 ZINC000542774052 541467922 /nfs/dbraw/zinc/46/79/22/541467922.db2.gz WNNPVQOWEZMJSY-UHFFFAOYSA-N -1 1 361.406 2.059 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068075232 541544428 /nfs/dbraw/zinc/54/44/28/541544428.db2.gz ISIFZSDENIAYCZ-UHFFFAOYSA-N -1 1 367.448 2.230 20 0 FEADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000068216304 541564349 /nfs/dbraw/zinc/56/43/49/541564349.db2.gz GBQWNTOSKNOWDV-UHFFFAOYSA-N -1 1 374.418 2.296 20 0 FEADMM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000068829008 541633389 /nfs/dbraw/zinc/63/33/89/541633389.db2.gz GTRUHKCMIWKSEZ-CQSZACIVSA-N -1 1 350.440 2.329 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)Nc1cccc(F)c1 ZINC000068882992 541636606 /nfs/dbraw/zinc/63/66/06/541636606.db2.gz QCZUSQSXVGVCPL-UHFFFAOYSA-N -1 1 362.304 2.160 20 0 FEADMM CC(C)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000069223581 541669682 /nfs/dbraw/zinc/66/96/82/541669682.db2.gz LKMDOIZWTSWLGW-CYBMUJFWSA-N -1 1 353.382 2.311 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)Oc2ccccc2)c(=O)[n-]1 ZINC000070903414 541750532 /nfs/dbraw/zinc/75/05/32/541750532.db2.gz MHXFSAKFDJHROR-GFCCVEGCSA-N -1 1 361.467 2.317 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)cc1 ZINC000007323725 204294898 /nfs/dbraw/zinc/29/48/98/204294898.db2.gz WHOIMKQZDNEQHM-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000007708222 204302903 /nfs/dbraw/zinc/30/29/03/204302903.db2.gz KQJCHEOCEBPMQF-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000055567610 205220872 /nfs/dbraw/zinc/22/08/72/205220872.db2.gz DUTCJCCRXNRFGK-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)no1 ZINC000551139803 674126282 /nfs/dbraw/zinc/12/62/82/674126282.db2.gz HMCKGMDTENBHGL-ZDUSSCGKSA-N -1 1 374.409 2.403 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1)c1noc(C)n1 ZINC000072994275 541906400 /nfs/dbraw/zinc/90/64/00/541906400.db2.gz JHMYFTTZPDLPAL-INIZCTEOSA-N -1 1 359.407 2.455 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC000074256050 542059384 /nfs/dbraw/zinc/05/93/84/542059384.db2.gz FZAYIMUKXNBIQW-UHFFFAOYSA-N -1 1 366.421 2.358 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000075438121 542179189 /nfs/dbraw/zinc/17/91/89/542179189.db2.gz RNXKWSIADQAXEW-NSHDSACASA-N -1 1 353.426 2.355 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000075438121 542179192 /nfs/dbraw/zinc/17/91/92/542179192.db2.gz RNXKWSIADQAXEW-NSHDSACASA-N -1 1 353.426 2.355 20 0 FEADMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000075632400 542194114 /nfs/dbraw/zinc/19/41/14/542194114.db2.gz XDXLTGJVZDKDTI-UHFFFAOYSA-N -1 1 356.407 2.218 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)ccnc1-2 ZINC000801701766 674144618 /nfs/dbraw/zinc/14/46/18/674144618.db2.gz FOINGWMVZKTFTH-AWEZNQCLSA-N -1 1 373.210 2.047 20 0 FEADMM Cc1cccc2c1N(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)CCC2 ZINC000078451089 542461991 /nfs/dbraw/zinc/46/19/91/542461991.db2.gz BLPYWEDHTISKQP-UHFFFAOYSA-N -1 1 350.422 2.470 20 0 FEADMM COCCOc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000081554060 542665226 /nfs/dbraw/zinc/66/52/26/542665226.db2.gz WNQVUZHOLISOLY-UHFFFAOYSA-N -1 1 373.453 2.331 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000081552463 542664293 /nfs/dbraw/zinc/66/42/93/542664293.db2.gz WUDFDYHWPJQASG-UHFFFAOYSA-N -1 1 369.425 2.158 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1 ZINC000083577488 542698507 /nfs/dbraw/zinc/69/85/07/542698507.db2.gz GJIVZYSQWRFQJQ-UHFFFAOYSA-N -1 1 361.423 2.399 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COCCc1ccccc1 ZINC000091161080 542795752 /nfs/dbraw/zinc/79/57/52/542795752.db2.gz DLTBPMFCUIEUGU-UHFFFAOYSA-N -1 1 366.414 2.395 20 0 FEADMM CCCN(CCc1ccccn1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104148880 543124777 /nfs/dbraw/zinc/12/47/77/543124777.db2.gz ABDMSKUQFXVQOZ-UHFFFAOYSA-N -1 1 367.453 2.058 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000104313443 543128090 /nfs/dbraw/zinc/12/80/90/543128090.db2.gz KUORIYSLLFICIC-NSHDSACASA-N -1 1 367.331 2.457 20 0 FEADMM CC(=O)Nc1cccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000104744324 543140823 /nfs/dbraw/zinc/14/08/23/543140823.db2.gz MELRURZQTUVGSQ-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM CCOc1ccc2c(c1)C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)CO2 ZINC000106749305 543244812 /nfs/dbraw/zinc/24/48/12/543244812.db2.gz SDXCTPTYVULNTL-VIFPVBQESA-N -1 1 356.304 2.412 20 0 FEADMM CCc1nc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000107614328 543273770 /nfs/dbraw/zinc/27/37/70/543273770.db2.gz XTASOLIWAHTORY-UHFFFAOYSA-N -1 1 359.455 2.320 20 0 FEADMM CCCCN(C)c1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000109426483 543324756 /nfs/dbraw/zinc/32/47/56/543324756.db2.gz UDGAOPUJMXAMFJ-UHFFFAOYSA-N -1 1 364.471 2.161 20 0 FEADMM CSc1cc2c(cc1[N-]C(=O)c1nc3nccc(C)n3n1)OCCO2 ZINC000110114946 543349428 /nfs/dbraw/zinc/34/94/28/543349428.db2.gz PXMRPSMAGCYPLU-UHFFFAOYSA-N -1 1 357.395 2.178 20 0 FEADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)C(=O)OC(C)(C)C)c(=O)[n-]1 ZINC000802259522 674174384 /nfs/dbraw/zinc/17/43/84/674174384.db2.gz WFKIQKNFEIQRIN-JTQLQIEISA-N -1 1 356.444 2.419 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)C(=O)Nc1ccccc1)c2=O ZINC000112115932 543431223 /nfs/dbraw/zinc/43/12/23/543431223.db2.gz OPGFOURKUATDLB-LBPRGKRZSA-N -1 1 350.378 2.401 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)C(=O)Nc3ccccc3)cnc2n1 ZINC000112115932 543431225 /nfs/dbraw/zinc/43/12/25/543431225.db2.gz OPGFOURKUATDLB-LBPRGKRZSA-N -1 1 350.378 2.401 20 0 FEADMM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000115970087 543594870 /nfs/dbraw/zinc/59/48/70/543594870.db2.gz JXXFYJQLNGBXRN-UHFFFAOYSA-N -1 1 361.423 2.492 20 0 FEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000116158417 543600916 /nfs/dbraw/zinc/60/09/16/543600916.db2.gz XOMRIKBIMJCOBM-UHFFFAOYSA-N -1 1 361.391 2.310 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000118275699 543649543 /nfs/dbraw/zinc/64/95/43/543649543.db2.gz KVYUMNFFCBSDNZ-LIRRHRJNSA-N -1 1 374.485 2.139 20 0 FEADMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2)n1 ZINC000121342341 543692919 /nfs/dbraw/zinc/69/29/19/543692919.db2.gz HPJOBUDFWPCBQN-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM CC(C)COc1ncc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1Cl ZINC000124436335 543821992 /nfs/dbraw/zinc/82/19/92/543821992.db2.gz IDZLYGNJEGQDHJ-JTQLQIEISA-N -1 1 352.826 2.159 20 0 FEADMM C[C@H](CN(C)C(=O)CSCC(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000124468275 543823346 /nfs/dbraw/zinc/82/33/46/543823346.db2.gz ANJUMOMBWMNGJJ-SNVBAGLBSA-N -1 1 367.862 2.031 20 0 FEADMM C[C@@H](CN(C)C(=O)c1[nH]c2ccccc2c1Br)c1nn[n-]n1 ZINC000124003026 543796376 /nfs/dbraw/zinc/79/63/76/543796376.db2.gz CHPNGIRTYNYGEB-QMMMGPOBSA-N -1 1 363.219 2.319 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nc(-c2ccc(Cl)cc2)n1 ZINC000124247828 543808932 /nfs/dbraw/zinc/80/89/32/543808932.db2.gz LXCFHUBTGPEKNR-SNVBAGLBSA-N -1 1 371.832 2.494 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000125457691 543882752 /nfs/dbraw/zinc/88/27/52/543882752.db2.gz YAUZPZZADZXXGQ-YUELXQCFSA-N -1 1 359.470 2.453 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)[nH]n1 ZINC000126536349 543942430 /nfs/dbraw/zinc/94/24/30/543942430.db2.gz DXTZPUNIUMHUKT-NSHDSACASA-N -1 1 362.455 2.461 20 0 FEADMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000126706909 543951984 /nfs/dbraw/zinc/95/19/84/543951984.db2.gz IWVUBCDCBLDKFN-SECBINFHSA-N -1 1 370.780 2.258 20 0 FEADMM O=C(c1ccc(OCc2ccccn2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129298397 544103811 /nfs/dbraw/zinc/10/38/11/544103811.db2.gz BRPKQXRSHXORBH-OAHLLOKOSA-N -1 1 364.409 2.194 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)(C)CO)c1Cl ZINC000129370019 544108579 /nfs/dbraw/zinc/10/85/79/544108579.db2.gz WRHXUGOXJZBCLV-CYBMUJFWSA-N -1 1 371.890 2.154 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129481232 544114881 /nfs/dbraw/zinc/11/48/81/544114881.db2.gz QCAVRGZFOBVRKW-LBPRGKRZSA-N -1 1 370.388 2.333 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc3c(cccc3C)[nH]2)o1 ZINC000130097577 544138902 /nfs/dbraw/zinc/13/89/02/544138902.db2.gz XONWKJHISPPFMF-UHFFFAOYSA-N -1 1 363.395 2.120 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cccc(F)c1 ZINC000130482749 544153216 /nfs/dbraw/zinc/15/32/16/544153216.db2.gz SUTVWKRURSLIKZ-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM O=S(=O)([N-]CCCOC[C@H]1CCOC1)c1c(F)cccc1Cl ZINC000132836413 544245277 /nfs/dbraw/zinc/24/52/77/544245277.db2.gz RZWFGQVRLLZYFG-LLVKDONJSA-N -1 1 351.827 2.201 20 0 FEADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000132723883 544241763 /nfs/dbraw/zinc/24/17/63/544241763.db2.gz FNEOJWJKHZOEFF-OAHLLOKOSA-N -1 1 365.437 2.415 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1 ZINC000135938530 544363938 /nfs/dbraw/zinc/36/39/38/544363938.db2.gz LVYYSJSQJMDQQN-UHFFFAOYSA-N -1 1 372.406 2.239 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cnn(C2CCOCC2)c1 ZINC000137193074 544386553 /nfs/dbraw/zinc/38/65/53/544386553.db2.gz STOLEOIJDOINJY-UHFFFAOYSA-N -1 1 361.345 2.453 20 0 FEADMM COC[C@H](C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000149352214 544456659 /nfs/dbraw/zinc/45/66/59/544456659.db2.gz JLIHHPATQQJISK-CQSZACIVSA-N -1 1 362.451 2.500 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)[C@@H]2COc3ccccc32)c(=O)[n-]1 ZINC000152588112 544670806 /nfs/dbraw/zinc/67/08/06/544670806.db2.gz ZUCGKGPSBVTFJX-DOMZBBRYSA-N -1 1 373.478 2.414 20 0 FEADMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000152779282 544694997 /nfs/dbraw/zinc/69/49/97/544694997.db2.gz HUGGLRVJHZCZHL-UHFFFAOYSA-N -1 1 360.786 2.193 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccc([C@H](C)CC)cc2)n[n-]1 ZINC000153153972 544740004 /nfs/dbraw/zinc/74/00/04/544740004.db2.gz JMPGHVGJDZCXBT-LLVKDONJSA-N -1 1 350.444 2.293 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000153993116 544849807 /nfs/dbraw/zinc/84/98/07/544849807.db2.gz QXDABMSVJOIEFS-QGZVFWFLSA-N -1 1 365.817 2.176 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)co1 ZINC000154112912 544865891 /nfs/dbraw/zinc/86/58/91/544865891.db2.gz VAALAUGFJXOZKI-JTQLQIEISA-N -1 1 372.830 2.038 20 0 FEADMM CS[C@@H]1CCCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000154467526 544910159 /nfs/dbraw/zinc/91/01/59/544910159.db2.gz URNNPKXFHUHDFC-OAHLLOKOSA-N -1 1 372.494 2.427 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ncon1 ZINC000154516267 544915904 /nfs/dbraw/zinc/91/59/04/544915904.db2.gz AWXCMMLHWLNROR-GFCCVEGCSA-N -1 1 372.406 2.361 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(F)cc3F)CCC2)co1 ZINC000154959744 544970857 /nfs/dbraw/zinc/97/08/57/544970857.db2.gz HHYWHRQGSWQJKH-UHFFFAOYSA-N -1 1 370.377 2.275 20 0 FEADMM CS(=O)(=O)c1cc(CNC(=O)c2ncccc2[O-])cc(C(F)(F)F)c1 ZINC000552661273 674218801 /nfs/dbraw/zinc/21/88/01/674218801.db2.gz QMDFLZBRZXAQHH-UHFFFAOYSA-N -1 1 374.340 2.140 20 0 FEADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000553436241 674261996 /nfs/dbraw/zinc/26/19/96/674261996.db2.gz OXKVVLMWVJAAEE-UHFFFAOYSA-N -1 1 360.769 2.196 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC1)c1c(Cl)cc(F)cc1Br ZINC000179340912 327637895 /nfs/dbraw/zinc/63/78/95/327637895.db2.gz UEPVXASWIXIWRY-ZETCQYMHSA-N -1 1 358.616 2.309 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1cc(F)ccc1F ZINC000180789661 327702109 /nfs/dbraw/zinc/70/21/09/327702109.db2.gz LGUZKXUWFGYKAA-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)c1sccc1Br)(C(N)=O)C(C)C ZINC000181527758 327734467 /nfs/dbraw/zinc/73/44/67/327734467.db2.gz ZTMKMSJOQWUXFD-NSHDSACASA-N -1 1 369.306 2.079 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183085277 327800622 /nfs/dbraw/zinc/80/06/22/327800622.db2.gz UZYJNOCAOCAWKN-OAHLLOKOSA-N -1 1 370.453 2.145 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000185124297 327901122 /nfs/dbraw/zinc/90/11/22/327901122.db2.gz HXTDVKAQXQWCEU-ZDUSSCGKSA-N -1 1 358.485 2.085 20 0 FEADMM COC(=O)c1c[n-]c(SCc2cc(=O)n3cc(Cl)ccc3n2)n1 ZINC000187594329 328035130 /nfs/dbraw/zinc/03/51/30/328035130.db2.gz LBASAVBWSGJNPL-UHFFFAOYSA-N -1 1 350.787 2.150 20 0 FEADMM CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2cnccc2N)ccc1F ZINC000187859410 328050977 /nfs/dbraw/zinc/05/09/77/328050977.db2.gz SQWKDXGUXWGHBP-UHFFFAOYSA-N -1 1 366.418 2.132 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(S(N)(=O)=O)c1 ZINC000188960400 328120278 /nfs/dbraw/zinc/12/02/78/328120278.db2.gz FUKXHWQHUAAITH-UHFFFAOYSA-N -1 1 372.443 2.397 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1sccc1Br ZINC000188922418 328117894 /nfs/dbraw/zinc/11/78/94/328117894.db2.gz MAGVORGSFSUXSW-WCBMZHEXSA-N -1 1 354.291 2.340 20 0 FEADMM C[C@@H]1OCCN(C(=O)c2cc(I)ccc2[O-])[C@H]1C ZINC000189492278 328151429 /nfs/dbraw/zinc/15/14/29/328151429.db2.gz KLVYXAQTHQPHQO-IUCAKERBSA-N -1 1 361.179 2.246 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1CO ZINC000189491857 328151461 /nfs/dbraw/zinc/15/14/61/328151461.db2.gz NKOYSIINGZYTSV-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM O=C(NC[C@H]1CC[C@H](O)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000191211676 328254282 /nfs/dbraw/zinc/25/42/82/328254282.db2.gz OEXIAMWUKIVWJZ-YOEHRIQHSA-N -1 1 374.462 2.378 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@H]1CO ZINC000191846083 328284640 /nfs/dbraw/zinc/28/46/40/328284640.db2.gz RJTKWVZISRYALU-ZBFHGGJFSA-N -1 1 374.462 2.188 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000191890082 328287041 /nfs/dbraw/zinc/28/70/41/328287041.db2.gz XFXYBOSPMRZKKE-UHFFFAOYSA-N -1 1 360.439 2.266 20 0 FEADMM CCN(CC)[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)c1ccsc1 ZINC000192014406 328294449 /nfs/dbraw/zinc/29/44/49/328294449.db2.gz SMBUJVHJRFAIMT-NSHDSACASA-N -1 1 359.439 2.117 20 0 FEADMM CN(Cc1cnn(C)c1)C(=O)c1cc(I)ccc1[O-] ZINC000192534524 328324466 /nfs/dbraw/zinc/32/44/66/328324466.db2.gz VMWMBSNFTHDLML-UHFFFAOYSA-N -1 1 371.178 2.003 20 0 FEADMM O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)N1 ZINC000192658681 328331253 /nfs/dbraw/zinc/33/12/53/328331253.db2.gz VWBNIZFCYZSPAP-QGZVFWFLSA-N -1 1 360.414 2.123 20 0 FEADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000192765228 328338232 /nfs/dbraw/zinc/33/82/32/328338232.db2.gz LNKKFFMFQPEPNW-JTQLQIEISA-N -1 1 365.302 2.151 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000193316802 328368406 /nfs/dbraw/zinc/36/84/06/328368406.db2.gz MUVFSOKAYOZIPN-CQSZACIVSA-N -1 1 354.472 2.479 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000193392003 328372607 /nfs/dbraw/zinc/37/26/07/328372607.db2.gz YPATZSKNIRJODR-CQSZACIVSA-N -1 1 350.396 2.004 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])n1C ZINC000021006477 324394337 /nfs/dbraw/zinc/39/43/37/324394337.db2.gz YSGUVXKDOWVULI-UHFFFAOYSA-N -1 1 363.439 2.076 20 0 FEADMM CC[C@](C)(CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000230907092 328487558 /nfs/dbraw/zinc/48/75/58/328487558.db2.gz PWCGVCFLKPZKFA-CYBMUJFWSA-N -1 1 363.195 2.278 20 0 FEADMM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000051286289 324704339 /nfs/dbraw/zinc/70/43/39/324704339.db2.gz IPYAHPRGLGGUHO-CYBMUJFWSA-N -1 1 370.405 2.225 20 0 FEADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000076936250 324970834 /nfs/dbraw/zinc/97/08/34/324970834.db2.gz LPBMYPUIZLVQOO-INIZCTEOSA-N -1 1 354.472 2.383 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1-n1nnnc1C ZINC000077312157 324985051 /nfs/dbraw/zinc/98/50/51/324985051.db2.gz VCYCCYWBKKCIAX-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM CC(C)OCCCNC(=O)C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080024204 325114284 /nfs/dbraw/zinc/11/42/84/325114284.db2.gz QQYRBBCMYPBIGR-UHFFFAOYSA-N -1 1 366.433 2.315 20 0 FEADMM CCN(CC)C(=O)CCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000088281831 325290372 /nfs/dbraw/zinc/29/03/72/325290372.db2.gz LHAZKSUDOAYILB-UHFFFAOYSA-N -1 1 360.454 2.462 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[nH]n1 ZINC000091576492 325388144 /nfs/dbraw/zinc/38/81/44/325388144.db2.gz CIHGJMIVRAPULQ-NSHDSACASA-N -1 1 367.475 2.154 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000110935644 325696659 /nfs/dbraw/zinc/69/66/59/325696659.db2.gz CGJBCMNYSPOBHV-SANMLTNESA-N -1 1 372.450 2.360 20 0 FEADMM CCC[C@H](NC(=O)c1cncc([O-])c1)C(=O)N1CCc2sccc2C1 ZINC000111596983 325726562 /nfs/dbraw/zinc/72/65/62/325726562.db2.gz NYEBMMHIRHXQOU-HNNXBMFYSA-N -1 1 359.451 2.332 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)Nc1ccccc1 ZINC000112090827 325754619 /nfs/dbraw/zinc/75/46/19/325754619.db2.gz FBRKMJQSQILKBX-SECBINFHSA-N -1 1 358.341 2.409 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc2c(c1)OCCO2 ZINC000116602043 326026692 /nfs/dbraw/zinc/02/66/92/326026692.db2.gz PTPVKYAFMULKKK-UHFFFAOYSA-N -1 1 357.391 2.444 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCCCOCCc1ccccc1)c2=O ZINC000119163534 326132987 /nfs/dbraw/zinc/13/29/87/326132987.db2.gz BAZKZEMASIIWCV-UHFFFAOYSA-N -1 1 368.437 2.443 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@](C)(c3ccccc3)C1)c2=O ZINC000119348637 326152609 /nfs/dbraw/zinc/15/26/09/326152609.db2.gz JUUAOWZWOOOLPM-IBGZPJMESA-N -1 1 352.394 2.062 20 0 FEADMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119437481 326162198 /nfs/dbraw/zinc/16/21/98/326162198.db2.gz SVSXXFOKDDWFLD-CPCISQLKSA-N -1 1 372.231 2.413 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c2=O ZINC000119485760 326168092 /nfs/dbraw/zinc/16/80/92/326168092.db2.gz NBGPUYHPJIPGQJ-GOEBONIOSA-N -1 1 374.347 2.212 20 0 FEADMM COc1cccc2c1OCC(C(=O)Nc1cc(-c3nccn3C)n[nH]1)=C2 ZINC000119520811 326171346 /nfs/dbraw/zinc/17/13/46/326171346.db2.gz JAUDPLRDHLRRLT-UHFFFAOYSA-N -1 1 351.366 2.233 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC2(CCOCC2)C1 ZINC000119652442 326184575 /nfs/dbraw/zinc/18/45/75/326184575.db2.gz DONZDFGWJNTTFN-UHFFFAOYSA-N -1 1 356.216 2.176 20 0 FEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000120325235 326249839 /nfs/dbraw/zinc/24/98/39/326249839.db2.gz CQALRJBAFNQAHG-LLVKDONJSA-N -1 1 366.414 2.273 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)c2nc3ccccc3n2C)c(=O)[n-]1 ZINC000120328465 326249927 /nfs/dbraw/zinc/24/99/27/326249927.db2.gz GEFBISWJOPUOFE-UHFFFAOYSA-N -1 1 371.466 2.283 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cn(C)nc3C(F)(F)F)cnc2n1 ZINC000121048600 326309526 /nfs/dbraw/zinc/30/95/26/326309526.db2.gz RLBSDSNFAZURAO-UHFFFAOYSA-N -1 1 365.315 2.326 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3cn(C)nc3C(F)(F)F)c[n-]c2n1 ZINC000121048600 326309528 /nfs/dbraw/zinc/30/95/28/326309528.db2.gz RLBSDSNFAZURAO-UHFFFAOYSA-N -1 1 365.315 2.326 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CCO)C3CC3)cc2)cc1 ZINC000122392987 326395092 /nfs/dbraw/zinc/39/50/92/326395092.db2.gz IEOJNCIKIUSGEV-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(NCCc1nccn1Cc1ccccc1)c1nc2ccccc2c(=O)[n-]1 ZINC000122486484 326398873 /nfs/dbraw/zinc/39/88/73/326398873.db2.gz UZTDUAIJFHOHQE-UHFFFAOYSA-N -1 1 373.416 2.140 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3CO)cc2)cc1 ZINC000125123860 326465762 /nfs/dbraw/zinc/46/57/62/326465762.db2.gz OKFLDLITDLNMMJ-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)co1 ZINC000129548593 326542412 /nfs/dbraw/zinc/54/24/12/326542412.db2.gz IHWUUADLPRKLAN-HNNXBMFYSA-N -1 1 365.455 2.054 20 0 FEADMM O=S(=O)([N-]Cc1nnc2n1CCCCC2)c1c(F)cccc1Cl ZINC000131008286 326567306 /nfs/dbraw/zinc/56/73/06/326567306.db2.gz MXEYMURXWXBUQV-UHFFFAOYSA-N -1 1 358.826 2.276 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CC(=O)C1 ZINC000136839919 326655729 /nfs/dbraw/zinc/65/57/29/326655729.db2.gz 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Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(-c4ncon4)c3)cc12 ZINC000158754332 326906361 /nfs/dbraw/zinc/90/63/61/326906361.db2.gz HEIDCEXDAMMNAZ-UHFFFAOYSA-N -1 1 370.394 2.128 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(I)ccc1[O-] ZINC000162178891 327019050 /nfs/dbraw/zinc/01/90/50/327019050.db2.gz ZRDCGVZZCDEFOJ-UISBYWKRSA-N -1 1 359.163 2.047 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)co1 ZINC000162224839 327020085 /nfs/dbraw/zinc/02/00/85/327020085.db2.gz OXKRDKTVKBRBRA-NXEZZACHSA-N -1 1 354.350 2.039 20 0 FEADMM C[C@H](NC(=O)c1cnn[nH]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162308725 327021928 /nfs/dbraw/zinc/02/19/28/327021928.db2.gz ORAUTKDXQUFVJF-ZETCQYMHSA-N -1 1 363.175 2.108 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)CCN1c1ccccc1 ZINC000162520730 327027525 /nfs/dbraw/zinc/02/75/25/327027525.db2.gz BQPXGCUIEAOVNA-INIZCTEOSA-N -1 1 366.389 2.190 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cc(OC)ccc1Br)c1nn[n-]n1 ZINC000164430767 327070018 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COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1[N-]S(C)(=O)=O ZINC000267149498 329296743 /nfs/dbraw/zinc/29/67/43/329296743.db2.gz MDPZUCJVABQNEC-TXEJJXNPSA-N -1 1 353.444 2.186 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(CCO)CCCC1 ZINC000268595681 329437832 /nfs/dbraw/zinc/43/78/32/329437832.db2.gz PJHSAYHSQYLGMS-UHFFFAOYSA-N -1 1 360.458 2.043 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)OC)c1ccc(C)o1 ZINC000269831236 329552552 /nfs/dbraw/zinc/55/25/52/329552552.db2.gz PCIQDMXOEOZHDT-CYBMUJFWSA-N -1 1 353.396 2.041 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000271281537 329679724 /nfs/dbraw/zinc/67/97/24/329679724.db2.gz QQQXABSFOFSXSO-BONVTDFDSA-N -1 1 371.386 2.260 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N(CCO)C2CC2)c1)OCC(F)(F)F ZINC000271441811 329694299 /nfs/dbraw/zinc/69/42/99/329694299.db2.gz RBCUPMOBDUNRLO-UHFFFAOYSA-N -1 1 362.304 2.100 20 0 FEADMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)CCO1 ZINC000272146146 329755630 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COc1cc(/C=C/C(=O)[O-])ccc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000276070174 330116359 /nfs/dbraw/zinc/11/63/59/330116359.db2.gz MJSCNVZXNGFPBV-CFNZNRNTSA-N -1 1 355.412 2.104 20 0 FEADMM COc1ccc(C(=O)NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000276359327 330144556 /nfs/dbraw/zinc/14/45/56/330144556.db2.gz PFCNEDFVOCLJKZ-UHFFFAOYSA-N -1 1 359.407 2.117 20 0 FEADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C2 ZINC000361405829 330202398 /nfs/dbraw/zinc/20/23/98/330202398.db2.gz PTUKLZLRXFRZJR-JTQLQIEISA-N -1 1 357.357 2.038 20 0 FEADMM CN(CC(F)(F)F)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000367094493 330216364 /nfs/dbraw/zinc/21/63/64/330216364.db2.gz YQXZECUCCIQBER-SECBINFHSA-N -1 1 366.706 2.285 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000804721549 674298615 /nfs/dbraw/zinc/29/86/15/674298615.db2.gz IUYRJEGYPQZEBD-UHFFFAOYSA-N -1 1 366.349 2.113 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000625328949 676639692 /nfs/dbraw/zinc/63/96/92/676639692.db2.gz ZZYGUMKKFFJNFN-SECBINFHSA-N -1 1 355.363 2.035 20 0 FEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000262656251 518157533 /nfs/dbraw/zinc/15/75/33/518157533.db2.gz MPPVTFINKISLRD-STQMWFEESA-N -1 1 364.442 2.066 20 0 FEADMM C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000182038032 518177521 /nfs/dbraw/zinc/17/75/21/518177521.db2.gz CLEUUVPWBBYILC-VIFPVBQESA-N -1 1 365.373 2.449 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1-c1ccccn1 ZINC000155473558 545530999 /nfs/dbraw/zinc/53/09/99/545530999.db2.gz ZDBKFLYKQZMGCR-AWEZNQCLSA-N -1 1 364.409 2.290 20 0 FEADMM O=C(Cc1cc(F)ccc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155613043 545548960 /nfs/dbraw/zinc/54/89/60/545548960.db2.gz DXQDDIAJIIYQMZ-VIFPVBQESA-N -1 1 368.210 2.050 20 0 FEADMM O=C(N=c1ccc(O)n[n-]1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000484454539 538783302 /nfs/dbraw/zinc/78/33/02/538783302.db2.gz JMPAWKAQQGWHLS-UHFFFAOYSA-N -1 1 369.402 2.408 20 0 FEADMM O=C(N=c1ccc([O-])n[nH]1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000484454539 538783308 /nfs/dbraw/zinc/78/33/08/538783308.db2.gz JMPAWKAQQGWHLS-UHFFFAOYSA-N -1 1 369.402 2.408 20 0 FEADMM Cc1nn(C)c(C)c1CCC(=O)Nc1nc(Br)ccc1[O-] ZINC000156333997 545618110 /nfs/dbraw/zinc/61/81/10/545618110.db2.gz ZEWHLBZGQCILIZ-UHFFFAOYSA-N -1 1 353.220 2.471 20 0 FEADMM COc1cc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)ccc1F ZINC000477333307 561142424 /nfs/dbraw/zinc/14/24/24/561142424.db2.gz XCNPQVIIXACTJV-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM O=c1cc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000157092863 545699629 /nfs/dbraw/zinc/69/96/29/545699629.db2.gz HYDGNCHKPSPPPY-RHSMWYFYSA-N -1 1 371.389 2.416 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000158285069 545844057 /nfs/dbraw/zinc/84/40/57/545844057.db2.gz ZLBGYZMKOPLADV-CQSZACIVSA-N -1 1 358.419 2.001 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCOC(C)(C)[C@H]1C ZINC000478023242 561158382 /nfs/dbraw/zinc/15/83/82/561158382.db2.gz CAOKMAOJJNNYJU-CYBMUJFWSA-N -1 1 356.426 2.121 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478295811 561163823 /nfs/dbraw/zinc/16/38/23/561163823.db2.gz TVFBTBIGDHUQQF-HIFRSBDPSA-N -1 1 357.385 2.109 20 0 FEADMM COc1ccc(C(=O)CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(Cl)c1 ZINC000478604545 561170902 /nfs/dbraw/zinc/17/09/02/561170902.db2.gz YSTPVAWXECTRBG-SNVBAGLBSA-N -1 1 365.821 2.087 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc(C)ccc2OC)o1 ZINC000479199755 561184160 /nfs/dbraw/zinc/18/41/60/561184160.db2.gz MWCRJKZWBISLSD-UHFFFAOYSA-N -1 1 367.423 2.294 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](OCC)C23CCC3)o1 ZINC000479206705 561184587 /nfs/dbraw/zinc/18/45/87/561184587.db2.gz HQYPVTWTVAWYOD-CHWSQXEVSA-N -1 1 357.428 2.082 20 0 FEADMM C[S@@](=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000175872367 546364654 /nfs/dbraw/zinc/36/46/54/546364654.db2.gz WCBMCMSYKAZONZ-JOCHJYFZSA-N -1 1 363.382 2.320 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)o1 ZINC000480076520 561202446 /nfs/dbraw/zinc/20/24/46/561202446.db2.gz XTCOKXDNGZFNFJ-GFCCVEGCSA-N -1 1 369.370 2.398 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)NCc3nc4ccc(F)cc4[nH]3)cc2=O)cc1 ZINC000176526239 546457081 /nfs/dbraw/zinc/45/70/81/546457081.db2.gz NPAHFICXGWISFA-UHFFFAOYSA-N -1 1 365.368 2.419 20 0 FEADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000176679348 546475898 /nfs/dbraw/zinc/47/58/98/546475898.db2.gz YXXAGHBSCUTZEK-WMLDXEAASA-N -1 1 372.446 2.154 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000176718863 546480092 /nfs/dbraw/zinc/48/00/92/546480092.db2.gz SIFVTJPYFZYAAR-UHFFFAOYSA-N -1 1 350.444 2.333 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCOCc1ccccc1 ZINC000177048409 546532120 /nfs/dbraw/zinc/53/21/20/546532120.db2.gz SNYCTKCSXDSWHR-UHFFFAOYSA-N -1 1 368.437 2.317 20 0 FEADMM CC(C)Oc1ccc([C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000480851234 561218153 /nfs/dbraw/zinc/21/81/53/561218153.db2.gz WOQIPCGQLIACRT-ZDUSSCGKSA-N -1 1 357.410 2.182 20 0 FEADMM CCN(Cc1ccccc1)S(=O)(=O)[N-][C@@H](C(=O)OC)c1cccs1 ZINC000481000660 561222618 /nfs/dbraw/zinc/22/26/18/561222618.db2.gz FISVTBXFXUBZKZ-OAHLLOKOSA-N -1 1 368.480 2.319 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)c1 ZINC000177773118 546683767 /nfs/dbraw/zinc/68/37/67/546683767.db2.gz VEBYGAPQPUKMNW-UHFFFAOYSA-N -1 1 362.455 2.432 20 0 FEADMM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000178111105 546740903 /nfs/dbraw/zinc/74/09/03/546740903.db2.gz QMCYCCPODUOPFP-SMLFXBKZSA-N -1 1 367.515 2.185 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)[C@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000481587211 561236741 /nfs/dbraw/zinc/23/67/41/561236741.db2.gz KCURDYMXNPKOBD-DTWKUNHWSA-N -1 1 372.245 2.056 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000179540186 546974164 /nfs/dbraw/zinc/97/41/64/546974164.db2.gz QZJMGTJHGVZPBN-UHFFFAOYSA-N -1 1 373.434 2.482 20 0 FEADMM Cc1cc2[nH]c(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2c(C)c1 ZINC000179540029 546974514 /nfs/dbraw/zinc/97/45/14/546974514.db2.gz OWLSNWAFSHUOSY-UHFFFAOYSA-N -1 1 359.407 2.390 20 0 FEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000179766974 547010404 /nfs/dbraw/zinc/01/04/04/547010404.db2.gz BNQQOOCENWZSFM-UHFFFAOYSA-N -1 1 362.379 2.137 20 0 FEADMM CCc1ccc(CN(C(=O)CNC(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000482355594 561253021 /nfs/dbraw/zinc/25/30/21/561253021.db2.gz ICNZZLPMPQJWIV-UHFFFAOYSA-N -1 1 353.422 2.271 20 0 FEADMM Cc1ccc2[nH]cc(CCC(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c2c1 ZINC000181030947 547234055 /nfs/dbraw/zinc/23/40/55/547234055.db2.gz OBDGMEBLQSJSSK-UHFFFAOYSA-N -1 1 373.434 2.401 20 0 FEADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1NS(C)(=O)=O ZINC000181152963 547259840 /nfs/dbraw/zinc/25/98/40/547259840.db2.gz FGOFSRLDDQSUHL-JTQLQIEISA-N -1 1 352.387 2.394 20 0 FEADMM O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182027340 547424706 /nfs/dbraw/zinc/42/47/06/547424706.db2.gz BVEMSPDULLRDTN-GFCCVEGCSA-N -1 1 374.384 2.452 20 0 FEADMM CCN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H](C)CS(=O)(=O)CC ZINC000182297804 547468685 /nfs/dbraw/zinc/46/86/85/547468685.db2.gz FQRDCZJBTCPJPH-GFCCVEGCSA-N -1 1 353.440 2.144 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000182805698 547554714 /nfs/dbraw/zinc/55/47/14/547554714.db2.gz PFGHAFBMKFVVMD-SJCJKPOMSA-N -1 1 365.437 2.187 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2nc3nccc(C)n3n2)c1 ZINC000182917590 547572222 /nfs/dbraw/zinc/57/22/22/547572222.db2.gz ALXAUTQEPIEWDD-UHFFFAOYSA-N -1 1 362.187 2.462 20 0 FEADMM CC(C)n1cc(Br)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183422808 547656601 /nfs/dbraw/zinc/65/66/01/547656601.db2.gz PINFOLJZZYCTDH-VIFPVBQESA-N -1 1 355.240 2.220 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nn[n-]n1 ZINC000183441977 547660119 /nfs/dbraw/zinc/66/01/19/547660119.db2.gz NQCDUKRGAJNCDN-LLVKDONJSA-N -1 1 359.361 2.387 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(Br)cc1Cl)c1nn[n-]n1 ZINC000183451127 547661563 /nfs/dbraw/zinc/66/15/63/547661563.db2.gz LVLQECUYKAOSPV-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000183451690 547662711 /nfs/dbraw/zinc/66/27/11/547662711.db2.gz UBJGFUATLIEZQK-WQAKAFBOSA-N -1 1 364.247 2.328 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(C(F)F)CC1 ZINC000484738546 561304919 /nfs/dbraw/zinc/30/49/19/561304919.db2.gz RXKOVNNGCRIBHU-UHFFFAOYSA-N -1 1 352.385 2.488 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000484825760 561306606 /nfs/dbraw/zinc/30/66/06/561306606.db2.gz YSOKFWUTKSTOOA-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccsc1 ZINC000184254844 547795021 /nfs/dbraw/zinc/79/50/21/547795021.db2.gz ZUJXRWGFOSFEPS-OAHLLOKOSA-N -1 1 351.449 2.429 20 0 FEADMM CCC[C@H](NC(=O)c1cc(COc2ccccc2F)on1)c1nn[n-]n1 ZINC000184440391 547827394 /nfs/dbraw/zinc/82/73/94/547827394.db2.gz GGQMRHCHJNXZBG-LBPRGKRZSA-N -1 1 360.349 2.177 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000485122463 561313286 /nfs/dbraw/zinc/31/32/86/561313286.db2.gz OQZZYEICHVOAFR-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM CCc1ccc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184966528 547909426 /nfs/dbraw/zinc/90/94/26/547909426.db2.gz PKTKWMJWJJITDB-AWEZNQCLSA-N -1 1 368.499 2.346 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)NC2CCOCC2)nc1-c1ccccc1 ZINC000185054710 547924589 /nfs/dbraw/zinc/92/45/89/547924589.db2.gz LDXYKLFNRJILON-UHFFFAOYSA-N -1 1 359.451 2.133 20 0 FEADMM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000485390857 561318032 /nfs/dbraw/zinc/31/80/32/561318032.db2.gz NWGQYBFYMJMFLR-UHFFFAOYSA-N -1 1 350.183 2.256 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)c(Cl)c1 ZINC000485392826 561318113 /nfs/dbraw/zinc/31/81/13/561318113.db2.gz WUTLGGKPAFSQRP-UHFFFAOYSA-N -1 1 363.226 2.486 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)c1 ZINC000185641704 548013501 /nfs/dbraw/zinc/01/35/01/548013501.db2.gz IWRPLUWNKNDDTM-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM Cc1cc2c(cc1C)[C@H](C(=O)NCc1c(C)nc3cc(=O)[n-]n3c1C)CO2 ZINC000185684641 548019319 /nfs/dbraw/zinc/01/93/19/548019319.db2.gz UJSBETRLIXPFTR-MRXNPFEDSA-N -1 1 366.421 2.049 20 0 FEADMM O=C(Nc1ccc2c(c1)OCC(=O)N2)c1nc[n-]c1C(=O)c1ccccc1 ZINC000485684189 561325603 /nfs/dbraw/zinc/32/56/03/561325603.db2.gz SUXMHCZRVLPDFC-UHFFFAOYSA-N -1 1 362.345 2.224 20 0 FEADMM CC(C)(C)c1cc(NC(=O)CNC(=O)c2ncccc2[O-])n(C(C)(C)C)n1 ZINC000485813456 561328804 /nfs/dbraw/zinc/32/88/04/561328804.db2.gz JRQNYAZHCIOGNF-UHFFFAOYSA-N -1 1 373.457 2.405 20 0 FEADMM CCOc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc(Cl)c1[O-] ZINC000186428420 548134518 /nfs/dbraw/zinc/13/45/18/548134518.db2.gz QGVWHTUWIIUFJA-HNNXBMFYSA-N -1 1 374.824 2.497 20 0 FEADMM O=c1cc(/C=C/c2cn(-c3cccc(Cl)c3Cl)nn2)nc2nc[n-]n21 ZINC000486122405 561338615 /nfs/dbraw/zinc/33/86/15/561338615.db2.gz KBNRPXLATFWICB-SNAWJCMRSA-N -1 1 374.191 2.476 20 0 FEADMM O=c1cc(/C=C\c2cn(-c3ccc(Cl)cc3Cl)nn2)nc2nc[n-]n21 ZINC000486143964 561339287 /nfs/dbraw/zinc/33/92/87/561339287.db2.gz HJWXKFAEHDMZHV-IHWYPQMZSA-N -1 1 374.191 2.476 20 0 FEADMM O=C([O-])[C@@H](CNC(=O)Cc1[nH]nc2ccccc21)Cc1cccc(F)c1 ZINC000486151837 561339368 /nfs/dbraw/zinc/33/93/68/561339368.db2.gz CMCOHJFYUAZOCK-CYBMUJFWSA-N -1 1 355.369 2.304 20 0 FEADMM Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)c1 ZINC000486197309 561340836 /nfs/dbraw/zinc/34/08/36/561340836.db2.gz WDKABUYATYQWQB-UHFFFAOYSA-N -1 1 366.377 2.328 20 0 FEADMM Cc1cc2c(ncnc2N2CCN(C(=O)c3cncc([O-])c3)CC2)s1 ZINC000190134126 548317215 /nfs/dbraw/zinc/31/72/15/548317215.db2.gz WVHAMKMMTKHFMH-UHFFFAOYSA-N -1 1 355.423 2.063 20 0 FEADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)n[nH]1 ZINC000194550988 548497492 /nfs/dbraw/zinc/49/74/92/548497492.db2.gz XRBHWDYCAOXNJA-PWSUYJOCSA-N -1 1 365.393 2.155 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1cccc2ncccc21 ZINC000486837072 561357870 /nfs/dbraw/zinc/35/78/70/561357870.db2.gz MVMHLUQCJDDQRO-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM O=S(=O)(C[C@H]1CCCO1)c1nnc(-c2ccccc2Br)[n-]1 ZINC000195110653 548578081 /nfs/dbraw/zinc/57/80/81/548578081.db2.gz OFVOTOMQHOBZEB-SECBINFHSA-N -1 1 372.244 2.187 20 0 FEADMM O=S(=O)(C[C@H]1CCCO1)c1n[n-]c(-c2ccccc2Br)n1 ZINC000195110653 548578085 /nfs/dbraw/zinc/57/80/85/548578085.db2.gz OFVOTOMQHOBZEB-SECBINFHSA-N -1 1 372.244 2.187 20 0 FEADMM Cc1cnc(CS(=O)(=O)c2nnc(COc3ccc(Cl)cc3)[n-]2)o1 ZINC000195117046 548578958 /nfs/dbraw/zinc/57/89/58/548578958.db2.gz PCWMCFATGYRQCS-UHFFFAOYSA-N -1 1 368.802 2.307 20 0 FEADMM Cc1cnc(CS(=O)(=O)c2n[n-]c(COc3ccc(Cl)cc3)n2)o1 ZINC000195117046 548578962 /nfs/dbraw/zinc/57/89/62/548578962.db2.gz PCWMCFATGYRQCS-UHFFFAOYSA-N -1 1 368.802 2.307 20 0 FEADMM CC(C)N(C)C(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195113701 548579156 /nfs/dbraw/zinc/57/91/56/548579156.db2.gz LRUYQRGKJANKJX-JTQLQIEISA-N -1 1 370.862 2.154 20 0 FEADMM CC(C)N(C)C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113701 548579158 /nfs/dbraw/zinc/57/91/58/548579158.db2.gz LRUYQRGKJANKJX-JTQLQIEISA-N -1 1 370.862 2.154 20 0 FEADMM Cc1cc(C)c(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c(C)c1 ZINC000195165981 548588782 /nfs/dbraw/zinc/58/87/82/548588782.db2.gz VMUHEDGIWCJYJI-UHFFFAOYSA-N -1 1 364.471 2.440 20 0 FEADMM Cc1cc(C)c(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c(C)c1 ZINC000195165981 548588786 /nfs/dbraw/zinc/58/87/86/548588786.db2.gz VMUHEDGIWCJYJI-UHFFFAOYSA-N -1 1 364.471 2.440 20 0 FEADMM Cc1cc(C)c(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c(C)c1 ZINC000195165981 548588791 /nfs/dbraw/zinc/58/87/91/548588791.db2.gz VMUHEDGIWCJYJI-UHFFFAOYSA-N -1 1 364.471 2.440 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195171555 548589728 /nfs/dbraw/zinc/58/97/28/548589728.db2.gz FSKMWBXLJXBIDG-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195171555 548589732 /nfs/dbraw/zinc/58/97/32/548589732.db2.gz FSKMWBXLJXBIDG-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195171555 548589737 /nfs/dbraw/zinc/58/97/37/548589737.db2.gz FSKMWBXLJXBIDG-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175538 548591072 /nfs/dbraw/zinc/59/10/72/548591072.db2.gz YXWRRZORKMNOHS-VXGBXAGGSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175538 548591077 /nfs/dbraw/zinc/59/10/77/548591077.db2.gz YXWRRZORKMNOHS-VXGBXAGGSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195175538 548591081 /nfs/dbraw/zinc/59/10/81/548591081.db2.gz YXWRRZORKMNOHS-VXGBXAGGSA-N -1 1 356.492 2.056 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000195287413 548613547 /nfs/dbraw/zinc/61/35/47/548613547.db2.gz USXSXHTYGSDTBT-UHFFFAOYSA-N -1 1 365.846 2.065 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1n[n-]c(Cc2ccccc2)n1 ZINC000195287413 548613554 /nfs/dbraw/zinc/61/35/54/548613554.db2.gz USXSXHTYGSDTBT-UHFFFAOYSA-N -1 1 365.846 2.065 20 0 FEADMM O=C(NCCCn1ccnc1)c1ccc(I)c([O-])c1 ZINC000230885418 548761358 /nfs/dbraw/zinc/76/13/58/548761358.db2.gz PYZYMWLESDOBIZ-UHFFFAOYSA-N -1 1 371.178 2.013 20 0 FEADMM C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230909667 548762349 /nfs/dbraw/zinc/76/23/49/548762349.db2.gz NBCUWBRWXCBLKK-OQPBUACISA-N -1 1 361.179 2.294 20 0 FEADMM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000238095384 548877629 /nfs/dbraw/zinc/87/76/29/548877629.db2.gz LMTRWKOIWATUJT-AWEZNQCLSA-N -1 1 361.373 2.312 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOC)c2)cc1 ZINC000242513710 548886688 /nfs/dbraw/zinc/88/66/88/548886688.db2.gz BWYBZEAYUJKQQX-UHFFFAOYSA-N -1 1 362.451 2.426 20 0 FEADMM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000488365610 561388756 /nfs/dbraw/zinc/38/87/56/561388756.db2.gz JVEYTCKOGYDUJI-VIFPVBQESA-N -1 1 353.375 2.492 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](CO)c1ccccc1Cl ZINC000489670482 561416590 /nfs/dbraw/zinc/41/65/90/561416590.db2.gz GTUFCQCXIQSNSR-SNVBAGLBSA-N -1 1 367.858 2.372 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000490216283 561429041 /nfs/dbraw/zinc/42/90/41/561429041.db2.gz IVJXXSAKRALVRV-UHFFFAOYSA-N -1 1 369.332 2.486 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCC1(Cc2ccccc2)CCC1 ZINC000490439142 561433035 /nfs/dbraw/zinc/43/30/35/561433035.db2.gz XXXVULMPFRNXJC-UHFFFAOYSA-N -1 1 353.422 2.046 20 0 FEADMM CCc1cnccc1CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000490921191 561440327 /nfs/dbraw/zinc/44/03/27/561440327.db2.gz CQSJLICGJCVSOB-UHFFFAOYSA-N -1 1 353.426 2.258 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c(C)n1 ZINC000268445334 550067338 /nfs/dbraw/zinc/06/73/38/550067338.db2.gz UYHNOSZKDYRZNS-UHFFFAOYSA-N -1 1 363.395 2.156 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000268537445 550084043 /nfs/dbraw/zinc/08/40/43/550084043.db2.gz FSAONXULONZOFC-UAGQMJEPSA-N -1 1 368.437 2.169 20 0 FEADMM CN(C)Cc1ccsc1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000268645037 550098991 /nfs/dbraw/zinc/09/89/91/550098991.db2.gz NZNGUBRBNWVLBM-UHFFFAOYSA-N -1 1 373.478 2.114 20 0 FEADMM CSc1cccc(N2C[C@H](C(=O)[N-]OCc3cccnc3)CC2=O)c1 ZINC000269499901 550201935 /nfs/dbraw/zinc/20/19/35/550201935.db2.gz WSABBDMKYYWRBT-CQSZACIVSA-N -1 1 357.435 2.404 20 0 FEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000494091536 561462215 /nfs/dbraw/zinc/46/22/15/561462215.db2.gz DDGWDVMXFLCZDE-UHFFFAOYSA-N -1 1 357.439 2.193 20 0 FEADMM COc1cccc(C[C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000494164772 561463781 /nfs/dbraw/zinc/46/37/81/561463781.db2.gz ROCIMSBLTOJRHH-GFCCVEGCSA-N -1 1 368.437 2.350 20 0 FEADMM C[C@H](CO)[C@H](C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271428282 550374961 /nfs/dbraw/zinc/37/49/61/550374961.db2.gz PTIGBIXTBJGKFI-BDAKNGLRSA-N -1 1 364.320 2.250 20 0 FEADMM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[nH]1 ZINC000272144584 550425331 /nfs/dbraw/zinc/42/53/31/550425331.db2.gz KQQXHNNRBVSLHD-LURJTMIESA-N -1 1 350.231 2.108 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000272518992 550454937 /nfs/dbraw/zinc/45/49/37/550454937.db2.gz RQCHVDBLZUYIHQ-NVXWUHKLSA-N -1 1 370.453 2.105 20 0 FEADMM COc1ccc(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])c(OC)c1 ZINC000273368853 550495676 /nfs/dbraw/zinc/49/56/76/550495676.db2.gz VHPNSMZCXARKGB-CQSZACIVSA-N -1 1 363.439 2.125 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2oc(C3CC3)nc2C)s1 ZINC000273667349 550507289 /nfs/dbraw/zinc/50/72/89/550507289.db2.gz YUIOFGGXPMRWJF-UHFFFAOYSA-N -1 1 350.400 2.460 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc(C(=O)[O-])c1Cl ZINC000273759171 550510440 /nfs/dbraw/zinc/51/04/40/550510440.db2.gz QMLRLQQAGZVKFI-QMTHXVAHSA-N -1 1 372.874 2.108 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)c3cc(F)ccc3[O-])CC2=O)cc1 ZINC000274414888 550536608 /nfs/dbraw/zinc/53/66/08/550536608.db2.gz WMDXAEPPMSBTLO-UHFFFAOYSA-N -1 1 372.396 2.415 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cc(Cl)c1[O-] ZINC000277251413 550647954 /nfs/dbraw/zinc/64/79/54/550647954.db2.gz KKEQAXNJNKRNOS-SNVBAGLBSA-N -1 1 361.847 2.094 20 0 FEADMM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000277652836 550696906 /nfs/dbraw/zinc/69/69/06/550696906.db2.gz DTLQBTAZUUHPGN-IONNQARKSA-N -1 1 369.668 2.201 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccc(OC)cc3)CC2)n1 ZINC000277882893 550725163 /nfs/dbraw/zinc/72/51/63/550725163.db2.gz NCEQFSZDVUOKNC-UHFFFAOYSA-N -1 1 373.413 2.402 20 0 FEADMM CC(C)[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1CCCS1(=O)=O ZINC000278135094 550753065 /nfs/dbraw/zinc/75/30/65/550753065.db2.gz KSEZSTDFHUEVFU-ZDUSSCGKSA-N -1 1 355.391 2.314 20 0 FEADMM Cn1cc([C@@H]2CN(C(=O)c3cc4ccccc4cc3[O-])C[C@H]2CO)cn1 ZINC000278150838 550754824 /nfs/dbraw/zinc/75/48/24/550754824.db2.gz OKRVUJDSRHNEDF-WMZOPIPTSA-N -1 1 351.406 2.127 20 0 FEADMM CCS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000278173313 550757221 /nfs/dbraw/zinc/75/72/21/550757221.db2.gz NSRPSKQBAITSSB-JTQLQIEISA-N -1 1 355.391 2.110 20 0 FEADMM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000278530704 550796000 /nfs/dbraw/zinc/79/60/00/550796000.db2.gz HNOVJOFQKURAIG-YOEHRIQHSA-N -1 1 359.422 2.031 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(C)n(CC)c3C)CC2)n1 ZINC000278581076 550801001 /nfs/dbraw/zinc/80/10/01/550801001.db2.gz CSYHKFYXPLLBGQ-UHFFFAOYSA-N -1 1 373.457 2.439 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2cc(C(=O)OC)ccc2C)n1 ZINC000278591166 550802237 /nfs/dbraw/zinc/80/22/37/550802237.db2.gz GZEMJKWEWWTBIT-UHFFFAOYSA-N -1 1 363.395 2.022 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nc(Cl)ccc1[O-] ZINC000278694033 550812135 /nfs/dbraw/zinc/81/21/35/550812135.db2.gz RKRBABRKIWSUMV-FWDPORAESA-N -1 1 370.862 2.105 20 0 FEADMM O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000279100940 550854145 /nfs/dbraw/zinc/85/41/45/550854145.db2.gz PISMSUPVJUYAHQ-UHFFFAOYSA-N -1 1 374.418 2.385 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCSC1 ZINC000279743795 550923876 /nfs/dbraw/zinc/92/38/76/550923876.db2.gz KLAHTQWVALCKNX-ZDUSSCGKSA-N -1 1 358.467 2.355 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000279745183 550924317 /nfs/dbraw/zinc/92/43/17/550924317.db2.gz KPYJJYODKZPBLV-LBPRGKRZSA-N -1 1 363.458 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)co1 ZINC000280361036 550985260 /nfs/dbraw/zinc/98/52/60/550985260.db2.gz XQPIIEQTLYPBNM-IUODEOHRSA-N -1 1 366.414 2.393 20 0 FEADMM Cn1cc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000280588600 551010700 /nfs/dbraw/zinc/01/07/00/551010700.db2.gz NNCIJENQRHHMJE-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM O=C(NC[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000281066881 551059854 /nfs/dbraw/zinc/05/98/54/551059854.db2.gz ZIGYXMCNKMUMDF-KRWDZBQOSA-N -1 1 366.417 2.386 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)o1 ZINC000281420973 551095365 /nfs/dbraw/zinc/09/53/65/551095365.db2.gz IPBCUZVSPKCDPN-UHFFFAOYSA-N -1 1 360.819 2.386 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCO1 ZINC000281452989 551099237 /nfs/dbraw/zinc/09/92/37/551099237.db2.gz FISYKOUAACPJBW-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281593630 551117729 /nfs/dbraw/zinc/11/77/29/551117729.db2.gz CSEPIKQQXRPLNL-VIFPVBQESA-N -1 1 360.380 2.047 20 0 FEADMM Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1nn[n-]n1 ZINC000497354815 561499172 /nfs/dbraw/zinc/49/91/72/561499172.db2.gz MXQMVIUMMISJGF-UHFFFAOYSA-N -1 1 356.436 2.467 20 0 FEADMM Cc1ccc(C(=O)Nc2ccncc2[O-])cc1I ZINC000497799374 561509098 /nfs/dbraw/zinc/50/90/98/561509098.db2.gz 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ZINC000285041628 551695458 /nfs/dbraw/zinc/69/54/58/551695458.db2.gz KNMBTSXPYBGNNI-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM CN(CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cs1)Cc1ccco1 ZINC000285335901 551740102 /nfs/dbraw/zinc/74/01/02/551740102.db2.gz GMVFFEJGPUFWGZ-UHFFFAOYSA-N -1 1 372.468 2.182 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000285426199 551754874 /nfs/dbraw/zinc/75/48/74/551754874.db2.gz LILVUBYIXMVRIU-UHFFFAOYSA-N -1 1 358.435 2.020 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(Br)cc1[O-])c1nncn1C ZINC000286514260 551894861 /nfs/dbraw/zinc/89/48/61/551894861.db2.gz RXOAEXBCFWCYCB-LBPRGKRZSA-N -1 1 353.220 2.410 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)N=c3ccc(C(F)(F)F)n[n-]3)[nH][nH]2)o1 ZINC000499170821 561545152 /nfs/dbraw/zinc/54/51/52/561545152.db2.gz BAKJVJDZKNCHHG-UHFFFAOYSA-N -1 1 352.276 2.275 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1C(N)=O ZINC000499292821 561547990 /nfs/dbraw/zinc/54/79/90/561547990.db2.gz VPJWSVSIPUJIBH-UHFFFAOYSA-N -1 1 373.390 2.250 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/nfs/dbraw/zinc/77/39/41/553773941.db2.gz LGPJKEDIUWKSFE-UHFFFAOYSA-N -1 1 351.384 2.108 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)[O-])c1 ZINC000327259074 553787032 /nfs/dbraw/zinc/78/70/32/553787032.db2.gz BBJPELXXVZLZRD-UHFFFAOYSA-N -1 1 370.333 2.422 20 0 FEADMM CCn1cc(-c2n[nH]cc2C(=O)Nc2cc(C(=O)OC)ccc2[O-])cn1 ZINC000505754906 561679394 /nfs/dbraw/zinc/67/93/94/561679394.db2.gz OFJCXMUQSPRSTP-UHFFFAOYSA-N -1 1 355.354 2.038 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@@H]2CCCCN12 ZINC000328789336 553822450 /nfs/dbraw/zinc/82/24/50/553822450.db2.gz KRKPGZJJQZLESL-YUMQZZPRSA-N -1 1 369.295 2.487 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000505924771 561685245 /nfs/dbraw/zinc/68/52/45/561685245.db2.gz KONISMNFFMSTJZ-UHFFFAOYSA-N -1 1 359.407 2.195 20 0 FEADMM Cn1[n-]c(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)nc1=O ZINC000329681870 553988213 /nfs/dbraw/zinc/98/82/13/553988213.db2.gz SCVPHHYUMWCLAK-AWEZNQCLSA-N -1 1 374.489 2.384 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc4c5c(cccc53)CC4)CC2)s[n-]1 ZINC000329848573 554018394 /nfs/dbraw/zinc/01/83/94/554018394.db2.gz ROSAYUGEKFLYFG-UHFFFAOYSA-N -1 1 365.462 2.335 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)c1 ZINC000507584068 561734133 /nfs/dbraw/zinc/73/41/33/561734133.db2.gz NROPTAVGFQAGBP-UHFFFAOYSA-N -1 1 365.407 2.035 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000330505083 554130673 /nfs/dbraw/zinc/13/06/73/554130673.db2.gz FXCLJPDPKOUUBP-ZYHUDNBSSA-N -1 1 362.854 2.404 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(F)c1 ZINC000508128053 561752772 /nfs/dbraw/zinc/75/27/72/561752772.db2.gz LWCGTQDESSTWIQ-UHFFFAOYSA-N -1 1 367.354 2.184 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000330883696 554183021 /nfs/dbraw/zinc/18/30/21/554183021.db2.gz JXGHVVUWZOTFSP-UHFFFAOYSA-N -1 1 353.419 2.348 20 0 FEADMM CC(C)(C)OCc1cccc(CNC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000508410671 561761478 /nfs/dbraw/zinc/76/14/78/561761478.db2.gz XXIVBJBXPOFFQG-UHFFFAOYSA-N -1 1 371.437 2.149 20 0 FEADMM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000331253854 554237016 /nfs/dbraw/zinc/23/70/16/554237016.db2.gz WEMPMLKTGAFGHB-VIFPVBQESA-N -1 1 371.261 2.132 20 0 FEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CN1C1CC1 ZINC000331481552 554271927 /nfs/dbraw/zinc/27/19/27/554271927.db2.gz JMZRNPDKLCJOBN-ONGXEEELSA-N -1 1 364.389 2.315 20 0 FEADMM O=C(NC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1)C1CCCCC1 ZINC000331533854 554281475 /nfs/dbraw/zinc/28/14/75/554281475.db2.gz PGRMXGAWKHJPFZ-UHFFFAOYSA-N -1 1 358.438 2.262 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)[C@H](O)C3)c2)c1 ZINC000509312015 561794732 /nfs/dbraw/zinc/79/47/32/561794732.db2.gz VESQKCPPZWKRLN-RDTXWAMCSA-N -1 1 374.462 2.249 20 0 FEADMM CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806936 554323459 /nfs/dbraw/zinc/32/34/59/554323459.db2.gz TWZHMZIEYZQXHR-PXAZEXFGSA-N -1 1 372.487 2.290 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(CC(C)C)n[nH]3)ccc21 ZINC000332228831 554405572 /nfs/dbraw/zinc/40/55/72/554405572.db2.gz LNCZISNBGVSGKD-UHFFFAOYSA-N -1 1 362.455 2.318 20 0 FEADMM CCCC1CCC(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CC1 ZINC000332336974 554427800 /nfs/dbraw/zinc/42/78/00/554427800.db2.gz UXSIKIGXGCPJPA-UHFFFAOYSA-N -1 1 352.508 2.311 20 0 FEADMM COc1cccc(Cl)c1CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332356308 554431681 /nfs/dbraw/zinc/43/16/81/554431681.db2.gz BUSSJBROJRHDSW-JTQLQIEISA-N -1 1 351.790 2.386 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000509919450 561818581 /nfs/dbraw/zinc/81/85/81/561818581.db2.gz LBAJFOADAOLSQN-OAHLLOKOSA-N -1 1 354.410 2.056 20 0 FEADMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000509950311 561819578 /nfs/dbraw/zinc/81/95/78/561819578.db2.gz XAICUVFWWVRMMF-AWEZNQCLSA-N -1 1 355.438 2.390 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)c2cnc3c(F)cc(F)cc3c2O)s[n-]1 ZINC000510076450 561824070 /nfs/dbraw/zinc/82/40/70/561824070.db2.gz GUQRXCQNZQXLJZ-LURJTMIESA-N -1 1 366.349 2.039 20 0 FEADMM COc1cccc(-c2nc(=NC(=O)N3CCN(C)[C@@H](C)[C@@H]3C)s[n-]2)c1 ZINC000332672949 554494255 /nfs/dbraw/zinc/49/42/55/554494255.db2.gz NKTWTBDNRWHIKN-RYUDHWBXSA-N -1 1 361.471 2.192 20 0 FEADMM CC1(C)CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@]2(CCOC2)O1 ZINC000333142882 554578700 /nfs/dbraw/zinc/57/87/00/554578700.db2.gz CPDWGUUJVFKBIL-FQEVSTJZSA-N -1 1 372.444 3.002 20 0 FEADMM O=C(N=c1ccc(C2CC2)n[n-]1)NCC1(CN2CCOCC2)CCCCC1 ZINC000333247977 554594119 /nfs/dbraw/zinc/59/41/19/554594119.db2.gz XRFILRJEHWYNNZ-UHFFFAOYSA-N -1 1 373.501 2.758 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)[C@@]12CCCO2 ZINC000333273121 554597327 /nfs/dbraw/zinc/59/73/27/554597327.db2.gz CVFDYNBBWGOVQY-WZRBSPASSA-N -1 1 351.877 2.406 20 0 FEADMM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1csc(=NC2CC2)[n-]1 ZINC000333307936 554601177 /nfs/dbraw/zinc/60/11/77/554601177.db2.gz IQPRBBBXDRZIPQ-OTYXRUKQSA-N -1 1 363.405 2.931 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(Cc2ccccn2)no1 ZINC000349815541 554744044 /nfs/dbraw/zinc/74/40/44/554744044.db2.gz CQXRTXYTVQVORC-UHFFFAOYSA-N -1 1 360.377 2.100 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(O)cc3Cl)no2)o1 ZINC000350817330 554815584 /nfs/dbraw/zinc/81/55/84/554815584.db2.gz SMFOVPOOFWNUEF-UHFFFAOYSA-N -1 1 355.759 2.264 20 0 FEADMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362132228 554951735 /nfs/dbraw/zinc/95/17/35/554951735.db2.gz SRENQFIEJJIPMY-QWRGUYRKSA-N -1 1 369.347 2.392 20 0 FEADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(-c2nc[nH]n2)n1 ZINC000511636562 561875742 /nfs/dbraw/zinc/87/57/42/561875742.db2.gz OFFIKGCVHMMXCB-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2)n1 ZINC000362780341 554988125 /nfs/dbraw/zinc/98/81/25/554988125.db2.gz FTJKYYIKZAGYNG-OAHLLOKOSA-N -1 1 351.414 2.022 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2ncc(C)s2)co1 ZINC000363148984 555040781 /nfs/dbraw/zinc/04/07/81/555040781.db2.gz TWGAIFRZTGOBEK-LBPRGKRZSA-N -1 1 369.468 2.320 20 0 FEADMM COc1ccc(CCCNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000511916237 561885197 /nfs/dbraw/zinc/88/51/97/561885197.db2.gz LFIOQDJTIIGOPQ-UHFFFAOYSA-N -1 1 370.409 2.054 20 0 FEADMM CC(=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000363570755 555139824 /nfs/dbraw/zinc/13/98/24/555139824.db2.gz AYQWFIVCDNYHPJ-RSPDNQDQSA-N -1 1 367.331 2.222 20 0 FEADMM O=C(Nc1ccncc1[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000512000615 561888488 /nfs/dbraw/zinc/88/84/88/561888488.db2.gz GSVNTJZKCQDLLO-UHFFFAOYSA-N -1 1 372.384 2.220 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3c(C)cc(C)cc32)o1 ZINC000363680248 555162692 /nfs/dbraw/zinc/16/26/92/555162692.db2.gz TXTSTMSKLBJAQK-CYBMUJFWSA-N -1 1 364.423 2.058 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCCCCC(=O)OC(C)(C)C)c2=O ZINC000512100211 561892146 /nfs/dbraw/zinc/89/21/46/561892146.db2.gz XIYYVTQATFLTBI-UHFFFAOYSA-N -1 1 362.430 2.306 20 0 FEADMM O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363957003 555222032 /nfs/dbraw/zinc/22/20/32/555222032.db2.gz DBXVWRASTSWGHH-OAHLLOKOSA-N -1 1 370.800 2.129 20 0 FEADMM O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363956993 555222041 /nfs/dbraw/zinc/22/20/41/555222041.db2.gz DBXVWRASTSWGHH-HNNXBMFYSA-N -1 1 370.800 2.129 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc(Cl)c1[O-] ZINC000364006408 555232127 /nfs/dbraw/zinc/23/21/27/555232127.db2.gz UIZIXIJNHLAYFJ-HIFRSBDPSA-N -1 1 355.818 2.464 20 0 FEADMM CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000364113994 555252485 /nfs/dbraw/zinc/25/24/85/555252485.db2.gz YWAJYNXUFOQOEX-ROUUACIJSA-N -1 1 356.422 2.474 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)c1Br ZINC000616008806 555262896 /nfs/dbraw/zinc/26/28/96/555262896.db2.gz JDDPSQOKLFZVEW-LLVKDONJSA-N -1 1 363.215 2.289 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)c1Br ZINC000616010584 555262922 /nfs/dbraw/zinc/26/29/22/555262922.db2.gz OVOGUTHXNHDEKO-JTQLQIEISA-N -1 1 357.252 2.456 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1)c1nc(-c2cccnc2)no1 ZINC000364454504 555316917 /nfs/dbraw/zinc/31/69/17/555316917.db2.gz NUOPNBOBVLUTMJ-AWEZNQCLSA-N -1 1 359.411 2.202 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000364479312 555321263 /nfs/dbraw/zinc/32/12/63/555321263.db2.gz YTZNOBQKHVLDPA-UHFFFAOYSA-N -1 1 373.394 2.451 20 0 FEADMM Cn1ccnc1-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000364905485 555432823 /nfs/dbraw/zinc/43/28/23/555432823.db2.gz OJTXZCKERRFMGB-UHFFFAOYSA-N -1 1 359.389 2.254 20 0 FEADMM CN1C(=O)CC[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000365090059 555482953 /nfs/dbraw/zinc/48/29/53/555482953.db2.gz RNBLQNKVJZNNFW-PVUWLOKVSA-N -1 1 366.845 2.334 20 0 FEADMM CN1C(=O)C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@H]1c1cccs1 ZINC000365400043 555564961 /nfs/dbraw/zinc/56/49/61/555564961.db2.gz YQQLSNLPYLWECV-RCOVLWMOSA-N -1 1 359.333 2.043 20 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ZINC000514956891 561988931 /nfs/dbraw/zinc/98/89/31/561988931.db2.gz XELKCAHNKRTDNK-OBJOEFQTSA-N -1 1 366.462 2.388 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2C[C@H](C)O[C@@H](C)C2)n1 ZINC000514956891 561988932 /nfs/dbraw/zinc/98/89/32/561988932.db2.gz XELKCAHNKRTDNK-OBJOEFQTSA-N -1 1 366.462 2.388 20 0 FEADMM Cn1cc([C@H]2[C@H](CNC(=O)c3cc(F)c([O-])c(F)c3)CCCN2C)cn1 ZINC000368357055 556286472 /nfs/dbraw/zinc/28/64/72/556286472.db2.gz HPLAFFJXAGDESX-MEDUHNTESA-N -1 1 364.396 2.217 20 0 FEADMM C[C@@H](O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368448390 556311871 /nfs/dbraw/zinc/31/18/71/556311871.db2.gz AAOGJAZUVJURQS-RDTXWAMCSA-N -1 1 370.449 2.427 20 0 FEADMM CC(C)c1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000368500402 556327573 /nfs/dbraw/zinc/32/75/73/556327573.db2.gz BZHSJDKFOJSRSJ-CYBMUJFWSA-N -1 1 363.784 2.358 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc(O)cc1F ZINC000368502487 556328115 /nfs/dbraw/zinc/32/81/15/556328115.db2.gz MRSDTIOORCBZII-ZDUSSCGKSA-N -1 1 365.727 2.356 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCC[C@@H](CO)C2)c(=O)[n-]1 ZINC000515473369 562011888 /nfs/dbraw/zinc/01/18/88/562011888.db2.gz OMKVPRAZRPTOQQ-QWHCGFSZSA-N -1 1 353.488 2.060 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2nc(-c3cnn(C)c3)oc2C)s1 ZINC000368733558 556400735 /nfs/dbraw/zinc/40/07/35/556400735.db2.gz PSAKGZUSJDJMOS-UHFFFAOYSA-N -1 1 370.398 2.186 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000368762420 556407167 /nfs/dbraw/zinc/40/71/67/556407167.db2.gz NMXSBTUCNHKSGH-UHFFFAOYSA-N -1 1 366.396 2.415 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(n2cccn2)CC1 ZINC000368858320 556431070 /nfs/dbraw/zinc/43/10/70/556431070.db2.gz FDWMDGQQPQHHFS-UHFFFAOYSA-N -1 1 368.441 2.045 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(OC)CCCCC3)CC2)n1 ZINC000369371767 556582855 /nfs/dbraw/zinc/58/28/55/556582855.db2.gz XZMMIWMAYZFDNG-UHFFFAOYSA-N -1 1 364.446 2.037 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3ccsc3Br)ccnc1-2 ZINC000806483746 674378740 /nfs/dbraw/zinc/37/87/40/674378740.db2.gz OSQQREPOLNYPMI-UHFFFAOYSA-N -1 1 366.244 2.488 20 0 FEADMM O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000369513219 556616089 /nfs/dbraw/zinc/61/60/89/556616089.db2.gz ZKPLNYYSQVQXSE-SNVBAGLBSA-N -1 1 361.711 2.086 20 0 FEADMM Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000369670027 556664268 /nfs/dbraw/zinc/66/42/68/556664268.db2.gz IFWONGOWSCXBON-UHFFFAOYSA-N -1 1 367.405 2.156 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1CCNC2=O ZINC000516421354 562042522 /nfs/dbraw/zinc/04/25/22/562042522.db2.gz AZLMXGDWDLBHOP-UHFFFAOYSA-N -1 1 354.410 2.326 20 0 FEADMM CCC[C@H](NC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1)c1nn[n-]n1 ZINC000369835782 556707939 /nfs/dbraw/zinc/70/79/39/556707939.db2.gz PKBHLMCMRUFJMP-HOCLYGCPSA-N -1 1 365.441 2.283 20 0 FEADMM O=C(NCCCn1cc(Br)cn1)c1c(F)ccc([O-])c1F ZINC000516519517 562045831 /nfs/dbraw/zinc/04/58/31/562045831.db2.gz SKPDJGNHIKRSPG-UHFFFAOYSA-N -1 1 360.158 2.450 20 0 FEADMM O=C(c1ccc[nH]1)N1CCCN(C(=O)c2c([O-])cnc3ccccc32)CC1 ZINC000370469352 556882020 /nfs/dbraw/zinc/88/20/20/556882020.db2.gz BMBLEWRZBHVWOZ-UHFFFAOYSA-N -1 1 364.405 2.257 20 0 FEADMM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c2ccccc21 ZINC000370600750 556918757 /nfs/dbraw/zinc/91/87/57/556918757.db2.gz APBCEGFYTDERKZ-JQFCIGGWSA-N -1 1 355.442 2.417 20 0 FEADMM CCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1ccc(Cl)cc1 ZINC000370680673 556937998 /nfs/dbraw/zinc/93/79/98/556937998.db2.gz KAQLLIXEYBSMKZ-UHFFFAOYSA-N -1 1 371.846 2.393 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370855058 556992107 /nfs/dbraw/zinc/99/21/07/556992107.db2.gz HTDZSDOEDARIBT-CKYFFXLPSA-N -1 1 368.224 2.210 20 0 FEADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000370860401 556993570 /nfs/dbraw/zinc/99/35/70/556993570.db2.gz JWRFMPZVEWVAAS-AWEZNQCLSA-N -1 1 361.833 2.265 20 0 FEADMM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCCN3CC[C@H](O)C3)s2)c1 ZINC000626508415 557099668 /nfs/dbraw/zinc/09/96/68/557099668.db2.gz ORALUHXCOCEGQF-AWEZNQCLSA-N -1 1 361.471 2.010 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c2c(n1)onc2C(C)C ZINC000371297928 557135669 /nfs/dbraw/zinc/13/56/69/557135669.db2.gz PKWHUQMYNZBNQB-NSHDSACASA-N -1 1 355.402 2.188 20 0 FEADMM O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000371297473 557135952 /nfs/dbraw/zinc/13/59/52/557135952.db2.gz KUAMRDKSLAZJIZ-NSHDSACASA-N -1 1 357.805 2.263 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)o1 ZINC000517415422 562089525 /nfs/dbraw/zinc/08/95/25/562089525.db2.gz UHMQHLQPKMBJQB-UHFFFAOYSA-N -1 1 367.423 2.470 20 0 FEADMM O=S(=O)([N-]CCOCC1CC1)c1cc(Br)c(F)cc1F ZINC000518147542 562105266 /nfs/dbraw/zinc/10/52/66/562105266.db2.gz DMBJJNOYIOCCGH-UHFFFAOYSA-N -1 1 370.215 2.432 20 0 FEADMM CC(C)c1nccn1[C@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000371655300 557253453 /nfs/dbraw/zinc/25/34/53/557253453.db2.gz JZFWJMONCMPZOV-ZDUSSCGKSA-N -1 1 368.441 2.471 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000371672586 557259295 /nfs/dbraw/zinc/25/92/95/557259295.db2.gz XKHYRHGYSLVORM-INIZCTEOSA-N -1 1 366.421 2.274 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000371854206 557312041 /nfs/dbraw/zinc/31/20/41/557312041.db2.gz WFBDVPJJSAMGAM-UHFFFAOYSA-N -1 1 360.863 2.145 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2nccn2C)no1 ZINC000371941006 557334782 /nfs/dbraw/zinc/33/47/82/557334782.db2.gz FGJXHWJEIYMCJA-UHFFFAOYSA-N -1 1 363.381 2.121 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2ccc(O)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000372031653 557361579 /nfs/dbraw/zinc/36/15/79/557361579.db2.gz COMTWPLNHHRROK-SUMWQHHRSA-N -1 1 352.862 2.157 20 0 FEADMM CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c21 ZINC000372279345 557428695 /nfs/dbraw/zinc/42/86/95/557428695.db2.gz YSQLBZSTHQGQRV-GFCCVEGCSA-N -1 1 354.414 2.028 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1ccccn1 ZINC000519348714 562129813 /nfs/dbraw/zinc/12/98/13/562129813.db2.gz FNFLMZBMOSCZDI-CQSZACIVSA-N -1 1 363.421 2.297 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)o1 ZINC000519358358 562129933 /nfs/dbraw/zinc/12/99/33/562129933.db2.gz WRFRZZMKQYEHSQ-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@@]12CCCO2 ZINC000519437105 562131862 /nfs/dbraw/zinc/13/18/62/562131862.db2.gz XXCSEEDYRRSJPL-KFWWJZLASA-N -1 1 363.838 2.484 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1ccc2c(c1)OCCCO2 ZINC000372607441 557519194 /nfs/dbraw/zinc/51/91/94/557519194.db2.gz UZBWMUQWSHQKHH-UHFFFAOYSA-N -1 1 372.406 2.434 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1 ZINC000372608134 557519568 /nfs/dbraw/zinc/51/95/68/557519568.db2.gz WSWWBWQSGZVDCP-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM COc1cc(NC(=O)[C@H](C)OCCC(C)C)ccc1[N-]S(C)(=O)=O ZINC000519976150 562148382 /nfs/dbraw/zinc/14/83/82/562148382.db2.gz MBCYOYPYYGJEOY-LBPRGKRZSA-N -1 1 358.460 2.456 20 0 FEADMM O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000520239947 562151623 /nfs/dbraw/zinc/15/16/23/562151623.db2.gz CZYWSXFGNSVKDH-ZBFHGGJFSA-N -1 1 373.409 2.353 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@]2(CCCOC2)O1 ZINC000373657164 557732782 /nfs/dbraw/zinc/73/27/82/557732782.db2.gz VZDRYKBLKVOUNC-VLIAUNLRSA-N -1 1 371.437 2.444 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@]2(CCCOC2)O1 ZINC000373657164 557732784 /nfs/dbraw/zinc/73/27/84/557732784.db2.gz VZDRYKBLKVOUNC-VLIAUNLRSA-N -1 1 371.437 2.444 20 0 FEADMM Cc1ccncc1NC(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000373977865 557799943 /nfs/dbraw/zinc/79/99/43/557799943.db2.gz OXGDDBMCGYYOSM-UHFFFAOYSA-N -1 1 367.405 2.156 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000521037620 562168057 /nfs/dbraw/zinc/16/80/57/562168057.db2.gz LTPSRPDQKNVBFE-IINYFYTJSA-N -1 1 369.418 2.281 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC000374549434 557898271 /nfs/dbraw/zinc/89/82/71/557898271.db2.gz OIIVUBYMAXBZNH-LJQANCHMSA-N -1 1 371.393 2.194 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000375101533 557978186 /nfs/dbraw/zinc/97/81/86/557978186.db2.gz QMGQQGMUAYIXDX-IBGZPJMESA-N -1 1 366.446 2.332 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCN(c3ccn(C)n3)C2)cc(Cl)c1[O-] ZINC000375154537 557984708 /nfs/dbraw/zinc/98/47/08/557984708.db2.gz UBTLMJBECHJVJI-LBPRGKRZSA-N -1 1 364.833 2.187 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2C[C@@H](O)C3(CC3)C2)c1)OCC(F)(F)F ZINC000375277987 558003236 /nfs/dbraw/zinc/00/32/36/558003236.db2.gz CDBITXHAMYZKPW-GFCCVEGCSA-N -1 1 374.315 2.100 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@H]1CCCc2cccnc21 ZINC000375480392 558035349 /nfs/dbraw/zinc/03/53/49/558035349.db2.gz BDFRBECQQWMMBH-ZDUSSCGKSA-N -1 1 363.439 2.122 20 0 FEADMM COc1cc[nH]c(=O)c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376061932 558121565 /nfs/dbraw/zinc/12/15/65/558121565.db2.gz MXKPVWHQLJNMHS-UHFFFAOYSA-N -1 1 356.378 2.237 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCCc3sc(C)nc32)c1 ZINC000376130340 558130933 /nfs/dbraw/zinc/13/09/33/558130933.db2.gz KEKCQNSMMZAOII-SNVBAGLBSA-N -1 1 370.452 2.230 20 0 FEADMM C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N=c1[n-]nc(-c2ccon2)s1 ZINC000376170546 558136445 /nfs/dbraw/zinc/13/64/45/558136445.db2.gz CXTMEVRCYXODPF-GXTWGEPZSA-N -1 1 356.455 2.911 20 0 FEADMM CCc1nnc2n1C[C@H](N=c1nc(C(Cl)(Cl)Cl)[n-]s1)CC2 ZINC000376218817 558143413 /nfs/dbraw/zinc/14/34/13/558143413.db2.gz CKPOUJCDYBUFAT-ZCFIWIBFSA-N -1 1 367.693 2.368 20 0 FEADMM COc1ccc(NC(=O)N2CC3(C2)CCCC3)cc1[N-]S(C)(=O)=O ZINC000376241944 558146510 /nfs/dbraw/zinc/14/65/10/558146510.db2.gz AKPQDPPDEBGTAY-UHFFFAOYSA-N -1 1 353.444 2.475 20 0 FEADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)CCCCF)c1noc(C)n1 ZINC000376279180 558151572 /nfs/dbraw/zinc/15/15/72/558151572.db2.gz QDMUACZBBNVUTI-CQSZACIVSA-N -1 1 357.407 2.145 20 0 FEADMM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000376475424 558178166 /nfs/dbraw/zinc/17/81/66/558178166.db2.gz UEMDACQHFKSXKC-KBPBESRZSA-N -1 1 366.389 2.041 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)ccnc1-2 ZINC000376631319 558200240 /nfs/dbraw/zinc/20/02/40/558200240.db2.gz VDNGCUFJOAWGRX-ZVTCDHROSA-N -1 1 365.437 2.319 20 0 FEADMM CCC(C)(C)[C@@H]1CCc2nc(NC(=O)NN3CC(=O)[N-]C3=O)sc2C1 ZINC000376722665 558213587 /nfs/dbraw/zinc/21/35/87/558213587.db2.gz PLYLSEGIONPJLR-SECBINFHSA-N -1 1 365.459 2.273 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000377124926 558271482 /nfs/dbraw/zinc/27/14/82/558271482.db2.gz ZSYLXDHNEQHCDW-OLZOCXBDSA-N -1 1 370.380 2.180 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1OCC[C@H]2O ZINC000377309450 558311992 /nfs/dbraw/zinc/31/19/92/558311992.db2.gz RFNMFGGEATTXFH-CQSZACIVSA-N -1 1 363.391 2.310 20 0 FEADMM O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cncc([O-])c1 ZINC000522212187 562194447 /nfs/dbraw/zinc/19/44/47/562194447.db2.gz OMEKPURKZBYYDG-UHFFFAOYSA-N -1 1 371.706 2.432 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1COc2cccc(Cl)c21 ZINC000377390860 558331833 /nfs/dbraw/zinc/33/18/33/558331833.db2.gz ZRJCXOOOCZJDRP-VIFPVBQESA-N -1 1 362.238 2.447 20 0 FEADMM COCCn1cc2c(n1)[C@H](NC(=O)c1c(F)ccc([O-])c1F)CCC2 ZINC000377897514 558443949 /nfs/dbraw/zinc/44/39/49/558443949.db2.gz CGGRNLWQJZCMIB-GFCCVEGCSA-N -1 1 351.353 2.321 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000378074921 558474968 /nfs/dbraw/zinc/47/49/68/558474968.db2.gz JWMCPZPUFFPLET-NVXWUHKLSA-N -1 1 352.438 2.474 20 0 FEADMM O=C(NCc1cc[nH]n1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000523121952 562208744 /nfs/dbraw/zinc/20/87/44/562208744.db2.gz QWEYIBABIJSOHJ-KRWDZBQOSA-N -1 1 364.405 2.190 20 0 FEADMM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000378517267 558573430 /nfs/dbraw/zinc/57/34/30/558573430.db2.gz IVJPSKWUDXFCTD-INIZCTEOSA-N -1 1 355.394 2.412 20 0 FEADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000390998492 558613004 /nfs/dbraw/zinc/61/30/04/558613004.db2.gz CMQVLJLWQMCICT-SECBINFHSA-N -1 1 354.815 2.184 20 0 FEADMM CC1(C)C[C@H](NC(=O)c2ccc(I)c([O-])c2)CO1 ZINC000396499913 558623476 /nfs/dbraw/zinc/62/34/76/558623476.db2.gz ITZVXHCGNGNXAF-VIFPVBQESA-N -1 1 361.179 2.294 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Br)o1 ZINC000408213529 558657204 /nfs/dbraw/zinc/65/72/04/558657204.db2.gz HSKDZOVJDGJVAY-BBBLOLIVSA-N -1 1 350.234 2.278 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1F ZINC000410366094 558753059 /nfs/dbraw/zinc/75/30/59/558753059.db2.gz NAQJXCLZGFFZLA-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CC(=O)Nc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)ccc1F ZINC000524818400 562235599 /nfs/dbraw/zinc/23/55/99/562235599.db2.gz TYBNPKDHPTZKNJ-UHFFFAOYSA-N -1 1 371.328 2.094 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000528485931 562331798 /nfs/dbraw/zinc/33/17/98/562331798.db2.gz KHRDWFVFQAAWNS-WDEREUQCSA-N -1 1 374.673 2.465 20 0 FEADMM C[C@H](c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1)C(F)(F)F ZINC000411764349 558958601 /nfs/dbraw/zinc/95/86/01/558958601.db2.gz XYGUYIFXNYTKIZ-SSDOTTSWSA-N -1 1 362.333 2.126 20 0 FEADMM C[C@H](c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1)C(F)(F)F ZINC000411764349 558958603 /nfs/dbraw/zinc/95/86/03/558958603.db2.gz XYGUYIFXNYTKIZ-SSDOTTSWSA-N -1 1 362.333 2.126 20 0 FEADMM NC(=O)C1(NCc2nc(=O)c3sccc3[n-]2)C2CC3CC(C2)CC1C3 ZINC000411814178 558968551 /nfs/dbraw/zinc/96/85/51/558968551.db2.gz CIZYTHRHHUSJFV-UHFFFAOYSA-N -1 1 358.467 2.167 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000526042576 562265010 /nfs/dbraw/zinc/26/50/10/562265010.db2.gz UYSUIQCXAXCWIY-UHFFFAOYSA-N -1 1 362.407 2.274 20 0 FEADMM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000414448140 559164513 /nfs/dbraw/zinc/16/45/13/559164513.db2.gz ZEZSBSUPEKHBSE-UHFFFAOYSA-N -1 1 367.427 2.058 20 0 FEADMM COc1ccc(CN[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1Cl ZINC000414651015 559177087 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559688365 /nfs/dbraw/zinc/68/83/65/559688365.db2.gz JFLXEKSZELHHDO-CHWSQXEVSA-N -1 1 362.442 2.051 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)c(F)c1 ZINC000425157810 559688858 /nfs/dbraw/zinc/68/88/58/559688858.db2.gz OWYRETJMYZZWOF-LBPRGKRZSA-N -1 1 368.409 2.011 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCNC(=O)c2cccs2)c(F)c1 ZINC000425159420 559688909 /nfs/dbraw/zinc/68/89/09/559688909.db2.gz SHZQCTWIHZITIK-UHFFFAOYSA-N -1 1 374.434 2.433 20 0 FEADMM CC(=O)NCC1CCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425212830 559691649 /nfs/dbraw/zinc/69/16/49/559691649.db2.gz FYQUMIXMDAPQCH-OAHLLOKOSA-N -1 1 353.470 3.002 20 0 FEADMM O=C(COc1ccc(Cl)c(F)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293915 559694910 /nfs/dbraw/zinc/69/49/10/559694910.db2.gz CPFSJDLQPOUKBC-VIFPVBQESA-N -1 1 355.753 2.353 20 0 FEADMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425301003 559695409 /nfs/dbraw/zinc/69/54/09/559695409.db2.gz LUVWTSWEGOYKBH-CQSZACIVSA-N -1 1 370.409 2.072 20 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/nfs/dbraw/zinc/76/26/20/559762620.db2.gz FUWQUUXTXJCEIZ-UHFFFAOYSA-N -1 1 367.427 2.096 20 0 FEADMM CCOc1cc2c(cc1NC(=O)c1cnc3n(C)[n-]cc-3c1=O)OCCO2 ZINC000428057271 559768747 /nfs/dbraw/zinc/76/87/47/559768747.db2.gz WAFYAOMWMGUYCB-UHFFFAOYSA-N -1 1 370.365 2.096 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@H]1CCO ZINC000428604273 559779439 /nfs/dbraw/zinc/77/94/39/559779439.db2.gz STQPEAWVIGNJJU-KRWDZBQOSA-N -1 1 374.462 2.474 20 0 FEADMM COc1cc(Cl)c(Br)cc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000429890714 559807964 /nfs/dbraw/zinc/80/79/64/559807964.db2.gz RGXXUZFMGDMGSK-UHFFFAOYSA-N -1 1 374.626 2.289 20 0 FEADMM COc1cc(C(=O)NC2CCN(c3cccnn3)CC2)cc(Cl)c1[O-] ZINC000430476275 559820637 /nfs/dbraw/zinc/82/06/37/559820637.db2.gz WXIHOEYICNMXNB-UHFFFAOYSA-N -1 1 362.817 2.243 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c2=O ZINC000431043607 559833092 /nfs/dbraw/zinc/83/30/92/559833092.db2.gz RIEIHDIRZNEAFF-CXAGYDPISA-N -1 1 352.394 2.182 20 0 FEADMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000432297278 559855768 /nfs/dbraw/zinc/85/57/68/559855768.db2.gz QHYWPUIHMOJORS-NSHDSACASA-N -1 1 353.271 2.432 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H](C)C3CC3)c2)n1 ZINC000432642020 559862337 /nfs/dbraw/zinc/86/23/37/559862337.db2.gz KNGZVDXPYSPAKJ-NSHDSACASA-N -1 1 357.414 2.246 20 0 FEADMM COc1cc(NC(=O)NCC2(SC)CC2)ccc1[N-]S(C)(=O)=O ZINC000432865500 559866608 /nfs/dbraw/zinc/86/66/08/559866608.db2.gz KZOBLKPKVAKNSO-UHFFFAOYSA-N -1 1 359.473 2.084 20 0 FEADMM CO[C@@H](C)CCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000433795630 559887885 /nfs/dbraw/zinc/88/78/85/559887885.db2.gz ZCNCEJJLUCLBGH-NSHDSACASA-N -1 1 371.409 2.998 20 0 FEADMM CC(C)(NC(=O)Cc1cc(Cl)ccc1Br)c1nn[n-]n1 ZINC000434240960 559896212 /nfs/dbraw/zinc/89/62/12/559896212.db2.gz XRRILMYUIUYHBP-UHFFFAOYSA-N -1 1 358.627 2.210 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@H]3C[C@@H]3C)c2)n1 ZINC000434103042 559894362 /nfs/dbraw/zinc/89/43/62/559894362.db2.gz VZMSXEOBYJQEPX-SMDDNHRTSA-N -1 1 357.414 2.104 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)N2CCc3ccccc32)sc1C ZINC000435206678 559917954 /nfs/dbraw/zinc/91/79/54/559917954.db2.gz IRDSYIGGQVCKQI-NSHDSACASA-N -1 1 351.497 2.489 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C1CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000435427806 559922754 /nfs/dbraw/zinc/92/27/54/559922754.db2.gz NKALEENGIOOGHQ-LBPRGKRZSA-N -1 1 372.245 2.198 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN2CCCC(C)(C)C2)c(C)c1C(=O)[O-] ZINC000435471531 559923811 /nfs/dbraw/zinc/92/38/11/559923811.db2.gz TYBOQBIVBIBMEY-UHFFFAOYSA-N -1 1 368.499 2.402 20 0 FEADMM COc1cccc(C)c1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000435723771 559928880 /nfs/dbraw/zinc/92/88/80/559928880.db2.gz QQIPYSHFSFQEPW-UHFFFAOYSA-N -1 1 351.380 2.268 20 0 FEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(CNC(N)=O)cc1 ZINC000436002451 559933626 /nfs/dbraw/zinc/93/36/26/559933626.db2.gz JIGDACKZESYXFJ-UHFFFAOYSA-N -1 1 351.453 2.378 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000436166303 559936591 /nfs/dbraw/zinc/93/65/91/559936591.db2.gz BOSJMDGPLMRFBG-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1C(N)=O ZINC000436178149 559936850 /nfs/dbraw/zinc/93/68/50/559936850.db2.gz SBQHAHASKPLWRZ-UHFFFAOYSA-N -1 1 359.407 2.385 20 0 FEADMM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2nc(CC)cc(=O)[n-]2)C1 ZINC000436207504 559937543 /nfs/dbraw/zinc/93/75/43/559937543.db2.gz IGNMPCFLEZUOLU-VXGBXAGGSA-N -1 1 367.471 2.027 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCNC(=O)c2ccc(F)cc2)c1 ZINC000436514907 559943918 /nfs/dbraw/zinc/94/39/18/559943918.db2.gz QXXOJCQLCVPMHG-UHFFFAOYSA-N -1 1 360.341 2.077 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1 ZINC000436512075 559943947 /nfs/dbraw/zinc/94/39/47/559943947.db2.gz XQQSQXQXBUDZKK-GFCCVEGCSA-N -1 1 366.439 2.065 20 0 FEADMM Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1ccccc1[O-] ZINC000436519821 559944047 /nfs/dbraw/zinc/94/40/47/559944047.db2.gz BLTPSYPHLRITDJ-UHFFFAOYSA-N -1 1 355.394 2.357 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000436528117 559944308 /nfs/dbraw/zinc/94/43/08/559944308.db2.gz NHPISCULWZWXRL-GFCCVEGCSA-N -1 1 370.471 2.231 20 0 FEADMM COc1ccc(C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)c([O-])c1 ZINC000436530037 559944394 /nfs/dbraw/zinc/94/43/94/559944394.db2.gz LPWQRYBZJVJKJK-UHFFFAOYSA-N -1 1 365.407 2.206 20 0 FEADMM Cc1nc(Cn2nnc(NC(=O)c3ccc4ccccc4c3[O-])c2C)no1 ZINC000436666065 559948276 /nfs/dbraw/zinc/94/82/76/559948276.db2.gz ORDZQSIRCIXYKJ-UHFFFAOYSA-N -1 1 364.365 2.437 20 0 FEADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])ccc(F)c1N1C(=O)CNC1=O ZINC000436669675 559948301 /nfs/dbraw/zinc/94/83/01/559948301.db2.gz BATKFHONETWZQY-UHFFFAOYSA-N -1 1 361.304 2.287 20 0 FEADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1C ZINC000436675513 559948528 /nfs/dbraw/zinc/94/85/28/559948528.db2.gz ZSQJFKUPFFCLIJ-UHFFFAOYSA-N -1 1 350.396 2.420 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000436677129 559948598 /nfs/dbraw/zinc/94/85/98/559948598.db2.gz BHJHJQYGTARWBZ-NSHDSACASA-N -1 1 373.386 2.359 20 0 FEADMM CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000436711039 559949704 /nfs/dbraw/zinc/94/97/04/559949704.db2.gz CLALDHQIJHRDRG-BDAKNGLRSA-N -1 1 366.418 2.338 20 0 FEADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436888727 559955427 /nfs/dbraw/zinc/95/54/27/559955427.db2.gz OGNQYWJCPZMJIQ-AWEZNQCLSA-N -1 1 355.390 2.413 20 0 FEADMM O=C(NCc1ccno1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436911315 559956268 /nfs/dbraw/zinc/95/62/68/559956268.db2.gz UDPQPGGOXBEURY-KRWDZBQOSA-N -1 1 365.389 2.454 20 0 FEADMM CCOCCO[C@@H](C)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916535 559956462 /nfs/dbraw/zinc/95/64/62/559956462.db2.gz UGNWXUFGQAWCPS-VIFPVBQESA-N -1 1 354.794 2.211 20 0 FEADMM CCOCCO[C@@H](C)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916535 559956463 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/nfs/dbraw/zinc/33/33/95/560333395.db2.gz IKWMHZSWPSGKBM-SECBINFHSA-N -1 1 358.872 2.454 20 0 FEADMM CCOC(=O)[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC12COC2 ZINC000452228871 560355746 /nfs/dbraw/zinc/35/57/46/560355746.db2.gz OKASVFJYPJHTEA-MRXNPFEDSA-N -1 1 355.390 2.197 20 0 FEADMM CO[C@@](C)(CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000452782123 560373839 /nfs/dbraw/zinc/37/38/39/560373839.db2.gz UMMURLNQHYZMFA-FQEVSTJZSA-N -1 1 368.437 2.272 20 0 FEADMM CC(C)c1c[nH]nc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000456722387 560530778 /nfs/dbraw/zinc/53/07/78/560530778.db2.gz CVZOQJJBKKUZSZ-UHFFFAOYSA-N -1 1 354.432 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)o1 ZINC000456825619 560533908 /nfs/dbraw/zinc/53/39/08/560533908.db2.gz FUNKBDNRPZKQMY-CYBMUJFWSA-N -1 1 370.377 2.443 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCOCC1CCCC1 ZINC000457139775 560552748 /nfs/dbraw/zinc/55/27/48/560552748.db2.gz VAUZHKNOPVFXSZ-UHFFFAOYSA-N -1 1 360.458 2.307 20 0 FEADMM COc1cc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)cc(Cl)c1[O-] ZINC000457158350 560553588 /nfs/dbraw/zinc/55/35/88/560553588.db2.gz FHUJAZHNPVXPLA-UHFFFAOYSA-N -1 1 352.778 2.252 20 0 FEADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000457851919 560590674 /nfs/dbraw/zinc/59/06/74/560590674.db2.gz JGGPAIANBHKURB-TXEJJXNPSA-N -1 1 358.460 2.042 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC(F)(F)C(F)(F)C1 ZINC000457925391 560594448 /nfs/dbraw/zinc/59/44/48/560594448.db2.gz DHSXOTDWUMGUSW-UHFFFAOYSA-N -1 1 370.306 2.208 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1nc(-c2ccc(F)cn2)no1 ZINC000460659131 560748477 /nfs/dbraw/zinc/74/84/77/560748477.db2.gz YZGMOCRZKSZONI-VIFPVBQESA-N -1 1 366.349 2.449 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1 ZINC000460826202 560752894 /nfs/dbraw/zinc/75/28/94/560752894.db2.gz FBHLNRDTXCCIPF-UHFFFAOYSA-N -1 1 371.422 2.255 20 0 FEADMM Cc1nc(-c2ccc(N[C@H](CCO)C3CCOCC3)nc2)[n-]c(=O)c1C ZINC000460930084 560756178 /nfs/dbraw/zinc/75/61/78/560756178.db2.gz GUAVKDJRPSGWEB-MRXNPFEDSA-N -1 1 358.442 2.451 20 0 FEADMM Cc1cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1C(F)(F)F ZINC000461112485 560761694 /nfs/dbraw/zinc/76/16/94/560761694.db2.gz WXGFPSDHYDQDKQ-UHFFFAOYSA-N -1 1 370.356 2.470 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccccc3C)CC2)c1 ZINC000461460729 560772373 /nfs/dbraw/zinc/77/23/73/560772373.db2.gz NSUDJXVXCWPGPI-UHFFFAOYSA-N -1 1 360.435 2.279 20 0 FEADMM O=C(NC[C@@H](CO)C1CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461621195 560777361 /nfs/dbraw/zinc/77/73/61/560777361.db2.gz ZTSUHMRPLLMNML-INIZCTEOSA-N -1 1 374.462 2.236 20 0 FEADMM COC[C@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000461796695 560784222 /nfs/dbraw/zinc/78/42/22/560784222.db2.gz NVFAOFPCBUFNIS-STQMWFEESA-N -1 1 370.471 2.034 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2OC)o1 ZINC000462398388 560808724 /nfs/dbraw/zinc/80/87/24/560808724.db2.gz RAKYWYAKSHETLS-VIFPVBQESA-N -1 1 357.359 2.253 20 0 FEADMM CCOc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])c2ncccc12 ZINC000463672104 560820862 /nfs/dbraw/zinc/82/08/62/560820862.db2.gz ZYMGWNFRWHWFNJ-UHFFFAOYSA-N -1 1 366.377 2.103 20 0 FEADMM CC[C@H](Cc1ccc(NS(=O)(=O)c2cc(C)cnc2N)cc1)C(=O)[O-] ZINC000463779521 560823999 /nfs/dbraw/zinc/82/39/99/560823999.db2.gz UIPSZQJUDQOSAI-CYBMUJFWSA-N -1 1 363.439 2.426 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)c(OC)c2)co1 ZINC000464242768 560836804 /nfs/dbraw/zinc/83/68/04/560836804.db2.gz MYOPLWZMRDUDJX-UHFFFAOYSA-N -1 1 368.411 2.236 20 0 FEADMM O=S(=O)([N-]Cc1ccc(OCCO)cc1)c1c(F)cccc1Cl ZINC000464421708 560841343 /nfs/dbraw/zinc/84/13/43/560841343.db2.gz VDUPGBJUNLVBHD-UHFFFAOYSA-N -1 1 359.806 2.329 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC)cc2)cn1C ZINC000467324966 560908702 /nfs/dbraw/zinc/90/87/02/560908702.db2.gz UPVWYFVOCAGKIM-UHFFFAOYSA-N -1 1 352.412 2.401 20 0 FEADMM CCC[C@@H](NC(=O)CCC(=O)N1CCSc2ccccc21)c1nn[n-]n1 ZINC000467644889 560914279 /nfs/dbraw/zinc/91/42/79/560914279.db2.gz DFQVOXPIEGHBCK-GFCCVEGCSA-N -1 1 374.470 2.076 20 0 FEADMM C[C@@H](O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000468565495 560933037 /nfs/dbraw/zinc/93/30/37/560933037.db2.gz OEBPUKSJAIHBFH-SECBINFHSA-N -1 1 356.350 2.085 20 0 FEADMM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(Br)o1 ZINC000469063643 560946145 /nfs/dbraw/zinc/94/61/45/560946145.db2.gz WFTUWRHNIJERJL-MRVPVSSYSA-N -1 1 350.190 2.037 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000469115362 560947512 /nfs/dbraw/zinc/94/75/12/560947512.db2.gz CJWHFJIXFWMMJX-UHFFFAOYSA-N -1 1 358.445 2.042 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nc[nH]n2)c1 ZINC000470238863 560977191 /nfs/dbraw/zinc/97/71/91/560977191.db2.gz SPSFGPJKDYBDFE-UHFFFAOYSA-N -1 1 368.781 2.042 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2nc[nH]n2)ccc1F ZINC000470262731 560977633 /nfs/dbraw/zinc/97/76/33/560977633.db2.gz GZVWHBKMUIFRMI-UHFFFAOYSA-N -1 1 368.781 2.042 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470592242 560985228 /nfs/dbraw/zinc/98/52/28/560985228.db2.gz FDQMVTBJFLACHL-UHFFFAOYSA-N -1 1 371.347 2.015 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2csnc2C(=O)OC)[nH]n1 ZINC000471507330 561005976 /nfs/dbraw/zinc/00/59/76/561005976.db2.gz LFPWBGYGPNMBMS-QMMMGPOBSA-N -1 1 358.445 2.357 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)ccc1F ZINC000471608519 561008614 /nfs/dbraw/zinc/00/86/14/561008614.db2.gz DILHLKXWPFBXEB-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000473200059 561044065 /nfs/dbraw/zinc/04/40/65/561044065.db2.gz VYZIGSJBBPGXGU-ZFWWWQNUSA-N -1 1 373.409 2.103 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 ZINC000473312002 561047294 /nfs/dbraw/zinc/04/72/94/561047294.db2.gz WMLNEDFTNYKOAO-UHFFFAOYSA-N -1 1 373.409 2.197 20 0 FEADMM COc1cccc(N2CCN(C(=O)c3c(C)[n-]c(=O)nc3SC)CC2)c1 ZINC000474331049 561071390 /nfs/dbraw/zinc/07/13/90/561071390.db2.gz VUVYDMOWAOXYMX-UHFFFAOYSA-N -1 1 374.466 2.184 20 0 FEADMM COC(=O)C[C@](C)([N-]S(=O)(=O)c1c(C)noc1C)c1cccc(F)c1 ZINC000474391206 561073149 /nfs/dbraw/zinc/07/31/49/561073149.db2.gz MMYDTWIZZHJQRZ-INIZCTEOSA-N -1 1 370.402 2.187 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2ncc(-c3cccc(Cl)c3)o2)[n-]1 ZINC000474443775 561074142 /nfs/dbraw/zinc/07/41/42/561074142.db2.gz FKSALKALMHBESE-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2ncc(-c3cccc(Cl)c3)o2)n[n-]1 ZINC000474443775 561074143 /nfs/dbraw/zinc/07/41/43/561074143.db2.gz FKSALKALMHBESE-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM CC(C)(NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000474998011 561087242 /nfs/dbraw/zinc/08/72/42/561087242.db2.gz ARRHVGANUPEUQK-UWVGGRQHSA-N -1 1 355.320 2.253 20 0 FEADMM COc1ccc(NC(=O)N(C)Cc2ccoc2)cc1[N-]S(C)(=O)=O ZINC000475365777 561095724 /nfs/dbraw/zinc/09/57/24/561095724.db2.gz FBHJQDPBGRBLLT-UHFFFAOYSA-N -1 1 353.400 2.324 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000475589785 561100494 /nfs/dbraw/zinc/10/04/94/561100494.db2.gz LEXIRICWQKUWHP-HNNXBMFYSA-N -1 1 362.432 2.489 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(OCCO)cc1 ZINC000476060754 561110475 /nfs/dbraw/zinc/11/04/75/561110475.db2.gz JQAOGINOBTTXEZ-UHFFFAOYSA-N -1 1 359.426 2.089 20 0 FEADMM CC(C)(NC(=O)c1cc(F)c(Br)cc1Cl)c1nn[n-]n1 ZINC000476107309 561111444 /nfs/dbraw/zinc/11/14/44/561111444.db2.gz GJFIQCXVKQAWAQ-UHFFFAOYSA-N -1 1 362.590 2.420 20 0 FEADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000476483759 561120606 /nfs/dbraw/zinc/12/06/06/561120606.db2.gz BGZJINRGZWRLHA-WBMJQRKESA-N -1 1 370.471 2.176 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1Cl ZINC000476513550 561121401 /nfs/dbraw/zinc/12/14/01/561121401.db2.gz POONBYMPFQMEOR-UHFFFAOYSA-N -1 1 368.798 2.229 20 0 FEADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000476569226 561122973 /nfs/dbraw/zinc/12/29/73/561122973.db2.gz QXMCDEQYECHGHK-UHFFFAOYSA-N -1 1 360.391 2.108 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1ccc2n[nH]cc2c1 ZINC000476591631 561123739 /nfs/dbraw/zinc/12/37/39/561123739.db2.gz CLGDXVKHIITIRV-UHFFFAOYSA-N -1 1 362.386 2.255 20 0 FEADMM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477035105 561134821 /nfs/dbraw/zinc/13/48/21/561134821.db2.gz ONQUTVUQHYEGRL-CQSZACIVSA-N -1 1 363.421 2.363 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000528494868 562332270 /nfs/dbraw/zinc/33/22/70/562332270.db2.gz XYBLTKSXXLSVMP-MNOVXSKESA-N -1 1 373.780 2.177 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000529021871 562357049 /nfs/dbraw/zinc/35/70/49/562357049.db2.gz PPAPNTBSMWLAKH-IUODEOHRSA-N -1 1 362.865 2.080 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c(OC)n1 ZINC000530135124 562399151 /nfs/dbraw/zinc/39/91/51/562399151.db2.gz WQOYCWZEFQWJFS-AWEZNQCLSA-N -1 1 370.402 2.367 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(C(N)=O)sc1C)c1ccc(F)cc1 ZINC000530134448 562399172 /nfs/dbraw/zinc/39/91/72/562399172.db2.gz NBLSLXCWMJPTBX-CYBMUJFWSA-N -1 1 372.443 2.424 20 0 FEADMM CC(C)Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)[nH]n1 ZINC000530155075 562400473 /nfs/dbraw/zinc/40/04/73/562400473.db2.gz ZDTMAKPPPBRDTL-UHFFFAOYSA-N -1 1 374.466 2.244 20 0 FEADMM COc1cccc([C@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2(C)C)c1 ZINC000530166107 562401058 /nfs/dbraw/zinc/40/10/58/562401058.db2.gz XXZUELNIZGOYMR-GOSISDBHSA-N -1 1 374.481 2.444 20 0 FEADMM CCc1onc(-c2ccccc2Cl)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000530290776 562405681 /nfs/dbraw/zinc/40/56/81/562405681.db2.gz SJYGRTBKPUIFNO-UHFFFAOYSA-N -1 1 358.789 2.490 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)CC[C@H]1CCCO1 ZINC000530335074 562407340 /nfs/dbraw/zinc/40/73/40/562407340.db2.gz MVHZLDUCAUUPKI-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM NC(=O)C1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000530632455 562418445 /nfs/dbraw/zinc/41/84/45/562418445.db2.gz YXHPJJHAJOWDIF-UHFFFAOYSA-N -1 1 373.434 2.082 20 0 FEADMM C[C@H]1CCc2ccccc2N1CCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000531061881 562433640 /nfs/dbraw/zinc/43/36/40/562433640.db2.gz WIENRGXDIWUHLG-AWEZNQCLSA-N -1 1 354.458 2.317 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cnn(C(C)C)c2)o1 ZINC000531117998 562435126 /nfs/dbraw/zinc/43/51/26/562435126.db2.gz UMAKNKFIARRCGF-NSHDSACASA-N -1 1 355.416 2.273 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(CC(=O)OC)CCCCC2)o1 ZINC000531356728 562443104 /nfs/dbraw/zinc/44/31/04/562443104.db2.gz OYEVOGNAJSXDRW-UHFFFAOYSA-N -1 1 373.427 2.001 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1 ZINC000531382402 562444166 /nfs/dbraw/zinc/44/41/66/562444166.db2.gz MIJNDQBWRZUOIY-UHFFFAOYSA-N -1 1 372.450 2.316 20 0 FEADMM O=C(CCC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000532266761 562472180 /nfs/dbraw/zinc/47/21/80/562472180.db2.gz ZSQWTUUMEQCKEQ-UHFFFAOYSA-N -1 1 357.341 2.235 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000532273122 562472286 /nfs/dbraw/zinc/47/22/86/562472286.db2.gz VEXUODGXACNIFN-AWEZNQCLSA-N -1 1 358.442 2.202 20 0 FEADMM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(F)cc1[O-])C2=O ZINC000532673559 562485276 /nfs/dbraw/zinc/48/52/76/562485276.db2.gz GKIACTOYAQHHQF-GOSISDBHSA-N -1 1 363.389 2.361 20 0 FEADMM Cn1[n-]c(CN2CCC(F)(c3ccccc3OC(F)(F)F)CC2)nc1=O ZINC000532879478 562491539 /nfs/dbraw/zinc/49/15/39/562491539.db2.gz NEAWLXDSKRBOLU-UHFFFAOYSA-N -1 1 374.338 2.468 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000533164586 562500023 /nfs/dbraw/zinc/50/00/23/562500023.db2.gz BUNAKUPHZKZYHK-UHFFFAOYSA-N -1 1 362.194 2.470 20 0 FEADMM CC[C@H](C[C@H](C)CO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000533975383 562522752 /nfs/dbraw/zinc/52/27/52/562522752.db2.gz SNTYMKZIVNBCMJ-XJKSGUPXSA-N -1 1 372.469 2.399 20 0 FEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000534205647 562527434 /nfs/dbraw/zinc/52/74/34/562527434.db2.gz QEKXSHQTSAZZGQ-UHFFFAOYSA-N -1 1 367.354 2.184 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccccc2)cn1C ZINC000534682639 562540332 /nfs/dbraw/zinc/54/03/32/562540332.db2.gz DBBZOYFUSUKPEA-UHFFFAOYSA-N -1 1 374.422 2.311 20 0 FEADMM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000535769082 562567498 /nfs/dbraw/zinc/56/74/98/562567498.db2.gz RVSZXCNAJPKWMK-UHFFFAOYSA-N -1 1 356.407 2.313 20 0 FEADMM COc1ccc(OC=C([O-])Nc2nc(-c3cccnc3)ns2)cc1C ZINC000535930573 562571066 /nfs/dbraw/zinc/57/10/66/562571066.db2.gz QQRSJNQVDOZEKI-UHFFFAOYSA-N -1 1 356.407 2.357 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)cc1 ZINC000537035862 562584342 /nfs/dbraw/zinc/58/43/42/562584342.db2.gz AALSYMXQGNUMAF-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM CC(C)c1cccc(OCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000540805390 562593582 /nfs/dbraw/zinc/59/35/82/562593582.db2.gz HMGYVEDXTVINBD-UHFFFAOYSA-N -1 1 364.423 2.181 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000541781056 562619834 /nfs/dbraw/zinc/61/98/34/562619834.db2.gz YRPAAYNXHJMUSQ-UHFFFAOYSA-N -1 1 368.369 2.096 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc(OC)c1C(C)C ZINC000541897864 562622516 /nfs/dbraw/zinc/62/25/16/562622516.db2.gz XUWKSYJHNYISJE-LBPRGKRZSA-N -1 1 359.430 2.360 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000545922508 562631211 /nfs/dbraw/zinc/63/12/11/562631211.db2.gz PPNDLPXCIURINO-UWVGGRQHSA-N -1 1 369.867 2.113 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)COc1ccccc1)c1c(F)cccc1Cl ZINC000545922174 562631180 /nfs/dbraw/zinc/63/11/80/562631180.db2.gz KFPDRHBAQSPSOO-LLVKDONJSA-N -1 1 359.806 2.197 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1c[nH]c2ncccc12 ZINC000549723496 562638429 /nfs/dbraw/zinc/63/84/29/562638429.db2.gz WAAMBOWQHZYCKQ-UHFFFAOYSA-N -1 1 358.358 2.288 20 0 FEADMM COc1ccc2[nH]cc(CC(=O)N3CCC(c4n[n-]c(=O)o4)CC3)c2c1 ZINC000550101262 562642484 /nfs/dbraw/zinc/64/24/84/562642484.db2.gz OTGUKLSSOVORJM-UHFFFAOYSA-N -1 1 356.382 2.214 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1OC(F)F ZINC000550122293 562642960 /nfs/dbraw/zinc/64/29/60/562642960.db2.gz JMLNSQKTYRJQQH-SNVBAGLBSA-N -1 1 369.324 2.405 20 0 FEADMM CCOC(=O)[C@@]1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000601903866 567870854 /nfs/dbraw/zinc/87/08/54/567870854.db2.gz GIXWIAATHBSWII-OAHLLOKOSA-N -1 1 361.316 2.205 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](C)Cc2cccc(Cl)c2)n[n-]1 ZINC000603019306 568052220 /nfs/dbraw/zinc/05/22/20/568052220.db2.gz UNJYXXFTAKGSEF-SNVBAGLBSA-N -1 1 350.806 2.130 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)Cc2cccc(Cl)c2)n1 ZINC000603019306 568052221 /nfs/dbraw/zinc/05/22/21/568052221.db2.gz UNJYXXFTAKGSEF-SNVBAGLBSA-N -1 1 350.806 2.130 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)n[n-]1 ZINC000603022763 568052639 /nfs/dbraw/zinc/05/26/39/568052639.db2.gz PYQSXPGMYUUZCA-GJZGRUSLSA-N -1 1 356.426 2.257 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000603022763 568052640 /nfs/dbraw/zinc/05/26/40/568052640.db2.gz PYQSXPGMYUUZCA-GJZGRUSLSA-N -1 1 356.426 2.257 20 0 FEADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000669134205 568129073 /nfs/dbraw/zinc/12/90/73/568129073.db2.gz NMCDVHXKSGHTGP-CABCVRRESA-N -1 1 362.451 2.368 20 0 FEADMM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000637050307 568325723 /nfs/dbraw/zinc/32/57/23/568325723.db2.gz IUGUXQWFNFMJFH-MRXNPFEDSA-N -1 1 365.462 2.483 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)cc1C(N)=O ZINC000604856400 568378553 /nfs/dbraw/zinc/37/85/53/568378553.db2.gz OCDKYIMRBJMQGI-UHFFFAOYSA-N -1 1 363.439 2.325 20 0 FEADMM COC[C@H](C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736969277 598836117 /nfs/dbraw/zinc/83/61/17/598836117.db2.gz WGBVXSNYTLIEIP-NSHDSACASA-N -1 1 357.439 2.494 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCC(C)(C)C ZINC000737199544 598848423 /nfs/dbraw/zinc/84/84/23/598848423.db2.gz IEFRKVCOGNARIV-UHFFFAOYSA-N -1 1 360.462 2.459 20 0 FEADMM CCC[C@@H](NC(=O)c1sc([C@@H]2CCCOC2)nc1C)c1nn[n-]n1 ZINC000556557917 674406741 /nfs/dbraw/zinc/40/67/41/674406741.db2.gz USUSHNKMYDXFOS-GHMZBOCLSA-N -1 1 350.448 2.130 20 0 FEADMM c1ccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000738437198 598934426 /nfs/dbraw/zinc/93/44/26/598934426.db2.gz ZZOQNWCKBZLHGQ-UHFFFAOYSA-N -1 1 358.409 2.137 20 0 FEADMM c1ccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000738437198 598934428 /nfs/dbraw/zinc/93/44/28/598934428.db2.gz ZZOQNWCKBZLHGQ-UHFFFAOYSA-N -1 1 358.409 2.137 20 0 FEADMM CN(CCOc1ccccc1F)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736804606 598934739 /nfs/dbraw/zinc/93/47/39/598934739.db2.gz RSFOFXRIXSCSPC-UHFFFAOYSA-N -1 1 365.372 2.464 20 0 FEADMM CN(CCOc1ccccc1F)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736804606 598934741 /nfs/dbraw/zinc/93/47/41/598934741.db2.gz RSFOFXRIXSCSPC-UHFFFAOYSA-N -1 1 365.372 2.464 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000736135570 598940850 /nfs/dbraw/zinc/94/08/50/598940850.db2.gz BLQSHIJNURZGOD-SFYZADRCSA-N -1 1 355.855 2.178 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000736135570 598940853 /nfs/dbraw/zinc/94/08/53/598940853.db2.gz BLQSHIJNURZGOD-SFYZADRCSA-N -1 1 355.855 2.178 20 0 FEADMM CC(C)COC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735839362 598961405 /nfs/dbraw/zinc/96/14/05/598961405.db2.gz QUFAIWOPOSJRNJ-UHFFFAOYSA-N -1 1 353.430 2.451 20 0 FEADMM CC(C)COC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735839362 598961407 /nfs/dbraw/zinc/96/14/07/598961407.db2.gz QUFAIWOPOSJRNJ-UHFFFAOYSA-N -1 1 353.430 2.451 20 0 FEADMM O[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000738383057 598975822 /nfs/dbraw/zinc/97/58/22/598975822.db2.gz NLWCPPPQZUNUAM-JTQLQIEISA-N -1 1 352.732 2.339 20 0 FEADMM O[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000738383057 598975823 /nfs/dbraw/zinc/97/58/23/598975823.db2.gz NLWCPPPQZUNUAM-JTQLQIEISA-N -1 1 352.732 2.339 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC(F)F)cc1 ZINC000736119367 598988009 /nfs/dbraw/zinc/98/80/09/598988009.db2.gz OOUGWRZQJDLQNL-SECBINFHSA-N -1 1 360.324 2.354 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC(F)F)cc1 ZINC000736119367 598988011 /nfs/dbraw/zinc/98/80/11/598988011.db2.gz OOUGWRZQJDLQNL-SECBINFHSA-N -1 1 360.324 2.354 20 0 FEADMM CN(Cc1cccc(Br)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736822740 598990015 /nfs/dbraw/zinc/99/00/15/598990015.db2.gz SNHVCJPTAVIGRP-UHFFFAOYSA-N -1 1 373.214 2.296 20 0 FEADMM CN(Cc1cccc(Br)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736822740 598990016 /nfs/dbraw/zinc/99/00/16/598990016.db2.gz SNHVCJPTAVIGRP-UHFFFAOYSA-N -1 1 373.214 2.296 20 0 FEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC000735482482 598996474 /nfs/dbraw/zinc/99/64/74/598996474.db2.gz QFLLLQKEJUWVER-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC000735482482 598996476 /nfs/dbraw/zinc/99/64/76/598996476.db2.gz QFLLLQKEJUWVER-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036624 598998008 /nfs/dbraw/zinc/99/80/08/598998008.db2.gz RGXBJWVLKINPGY-LBPRGKRZSA-N -1 1 356.773 2.169 20 0 FEADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036624 598998010 /nfs/dbraw/zinc/99/80/10/598998010.db2.gz RGXBJWVLKINPGY-LBPRGKRZSA-N -1 1 356.773 2.169 20 0 FEADMM O=C(Oc1cccc(Oc2ncccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738248461 599001080 /nfs/dbraw/zinc/00/10/80/599001080.db2.gz YTFMDMOVGTZFAT-UHFFFAOYSA-N -1 1 361.321 2.063 20 0 FEADMM O=C(Oc1cccc(Oc2ncccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738248461 599001081 /nfs/dbraw/zinc/00/10/81/599001081.db2.gz YTFMDMOVGTZFAT-UHFFFAOYSA-N -1 1 361.321 2.063 20 0 FEADMM COc1cc2nc(C)sc2cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737055234 599002293 /nfs/dbraw/zinc/00/22/93/599002293.db2.gz LHGYKECTDHHNAW-UHFFFAOYSA-N -1 1 367.394 2.441 20 0 FEADMM COc1cc2nc(C)sc2cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737055234 599002295 /nfs/dbraw/zinc/00/22/95/599002295.db2.gz LHGYKECTDHHNAW-UHFFFAOYSA-N -1 1 367.394 2.441 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000738259204 599024436 /nfs/dbraw/zinc/02/44/36/599024436.db2.gz NNNIZUYFDZNCFH-UHFFFAOYSA-N -1 1 374.408 2.158 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000738259204 599024438 /nfs/dbraw/zinc/02/44/38/599024438.db2.gz NNNIZUYFDZNCFH-UHFFFAOYSA-N -1 1 374.408 2.158 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(CC1CC1)CC1CC1 ZINC000738354846 599085795 /nfs/dbraw/zinc/08/57/95/599085795.db2.gz KUEMAWHNMRDCTG-UHFFFAOYSA-N -1 1 367.862 2.331 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(CC1CC1)CC1CC1 ZINC000738354846 599085798 /nfs/dbraw/zinc/08/57/98/599085798.db2.gz KUEMAWHNMRDCTG-UHFFFAOYSA-N -1 1 367.862 2.331 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)N(C)C)c1 ZINC000818620700 597116994 /nfs/dbraw/zinc/11/69/94/597116994.db2.gz PFSWWDMSKDAYGU-WMLDXEAASA-N -1 1 363.458 2.194 20 0 FEADMM CCOC(=O)CCCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736593161 599246016 /nfs/dbraw/zinc/24/60/16/599246016.db2.gz XYTILTILZDDRBB-UHFFFAOYSA-N -1 1 355.398 2.305 20 0 FEADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000821478670 597511371 /nfs/dbraw/zinc/51/13/71/597511371.db2.gz BCFAQLSTLIWJBP-INIZCTEOSA-N -1 1 351.366 2.085 20 0 FEADMM CS(=O)(=O)Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821927147 607319531 /nfs/dbraw/zinc/31/95/31/607319531.db2.gz RJPRVFYUGXXDEB-UHFFFAOYSA-N -1 1 367.431 2.224 20 0 FEADMM CCCCO[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708493 674425009 /nfs/dbraw/zinc/42/50/09/674425009.db2.gz WZRZAHCPTYBZHA-CYDGBPFRSA-N -1 1 352.397 2.496 20 0 FEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000736805919 598031037 /nfs/dbraw/zinc/03/10/37/598031037.db2.gz AHZZJNIPYYOYDC-RYUDHWBXSA-N -1 1 353.394 2.145 20 0 FEADMM COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1OC ZINC000820826957 598188318 /nfs/dbraw/zinc/18/83/18/598188318.db2.gz PBADTSCYKPYWDK-RDTXWAMCSA-N -1 1 364.442 2.066 20 0 FEADMM COc1cccc([C@@H]2[C@H](NC(=O)NCCCC(=O)[O-])CCN2C2CC2)c1 ZINC000571997865 598209070 /nfs/dbraw/zinc/20/90/70/598209070.db2.gz IMGFZAXZHZJAOW-SJLPKXTDSA-N -1 1 361.442 2.137 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(C(C)=O)c2)cc1-c1nn[n-]n1 ZINC000737188023 598257757 /nfs/dbraw/zinc/25/77/57/598257757.db2.gz WBQDVEPSLRDMTF-UHFFFAOYSA-N -1 1 370.394 2.144 20 0 FEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237026 598264874 /nfs/dbraw/zinc/26/48/74/598264874.db2.gz NRFQNPVLSDJDDP-OSAQELSMSA-N -1 1 364.475 2.001 20 0 FEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237026 598264875 /nfs/dbraw/zinc/26/48/75/598264875.db2.gz NRFQNPVLSDJDDP-OSAQELSMSA-N -1 1 364.475 2.001 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC000736214505 598268688 /nfs/dbraw/zinc/26/86/88/598268688.db2.gz REVGSEAORQAIFE-OAHLLOKOSA-N -1 1 370.438 2.034 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC000736214505 598268689 /nfs/dbraw/zinc/26/86/89/598268689.db2.gz REVGSEAORQAIFE-OAHLLOKOSA-N -1 1 370.438 2.034 20 0 FEADMM C[C@H]1CCN(C(=O)C2SCCS2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802111 674430461 /nfs/dbraw/zinc/43/04/61/674430461.db2.gz BMIWHDCYUDTKPE-CIUDSAMLSA-N -1 1 356.435 2.097 20 0 FEADMM C[C@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1=O ZINC000807802882 674430483 /nfs/dbraw/zinc/43/04/83/674430483.db2.gz SLPWWZXEGRDXMW-GCQYFTOKSA-N -1 1 362.392 2.296 20 0 FEADMM O=C(NCc1ccccc1)c1cccc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000738115832 598336881 /nfs/dbraw/zinc/33/68/81/598336881.db2.gz DXLIWBVOCRATFP-UHFFFAOYSA-N -1 1 373.376 2.379 20 0 FEADMM CCCCOc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1OC ZINC000736462461 598344279 /nfs/dbraw/zinc/34/42/79/598344279.db2.gz BZMGIZSWRDFEIB-UHFFFAOYSA-N -1 1 355.402 2.456 20 0 FEADMM CCCCOc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1OC ZINC000736462461 598344281 /nfs/dbraw/zinc/34/42/81/598344281.db2.gz BZMGIZSWRDFEIB-UHFFFAOYSA-N -1 1 355.402 2.456 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000736292144 598345823 /nfs/dbraw/zinc/34/58/23/598345823.db2.gz IGXKUUYSWDJDAY-PHIMTYICSA-N -1 1 370.392 2.153 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000736292144 598345825 /nfs/dbraw/zinc/34/58/25/598345825.db2.gz IGXKUUYSWDJDAY-PHIMTYICSA-N -1 1 370.392 2.153 20 0 FEADMM CCOc1c(Cl)cc(CNc2nccnc2-c2nnn[n-]2)cc1OC ZINC000736626375 598345920 /nfs/dbraw/zinc/34/59/20/598345920.db2.gz HBHHIVUUQNIDEW-UHFFFAOYSA-N -1 1 361.793 2.330 20 0 FEADMM CCOc1c(Cl)cc(CNc2nccnc2-c2nn[n-]n2)cc1OC ZINC000736626375 598345922 /nfs/dbraw/zinc/34/59/22/598345922.db2.gz HBHHIVUUQNIDEW-UHFFFAOYSA-N -1 1 361.793 2.330 20 0 FEADMM Fc1ccc(Br)c(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737651184 598346768 /nfs/dbraw/zinc/34/67/68/598346768.db2.gz QOKKEDMSSKJXIF-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1ccc(Br)c(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737651184 598346770 /nfs/dbraw/zinc/34/67/70/598346770.db2.gz QOKKEDMSSKJXIF-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(C)(C)CC1 ZINC000737200231 598385481 /nfs/dbraw/zinc/38/54/81/598385481.db2.gz KILJJAUTKCFRMR-UHFFFAOYSA-N -1 1 358.446 2.165 20 0 FEADMM c1ccc(-n2c(Sc3cnc(-c4nnn[n-]4)cn3)nnc2C2CC2)cc1 ZINC000738426717 598386016 /nfs/dbraw/zinc/38/60/16/598386016.db2.gz TZXRNFGEEXWJME-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM c1ccc(-n2c(Sc3cnc(-c4nn[n-]n4)cn3)nnc2C2CC2)cc1 ZINC000738426717 598386017 /nfs/dbraw/zinc/38/60/17/598386017.db2.gz TZXRNFGEEXWJME-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM Cc1nn(CCCOc2ccc(Cl)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513500 598472952 /nfs/dbraw/zinc/47/29/52/598472952.db2.gz PKZRBLKGRXCHDI-UHFFFAOYSA-N -1 1 360.805 2.163 20 0 FEADMM O=C(NCc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826442193 607358172 /nfs/dbraw/zinc/35/81/72/607358172.db2.gz MEGNEWKBLGBFNT-UHFFFAOYSA-N -1 1 357.377 2.254 20 0 FEADMM O=C(NCc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826442193 607358174 /nfs/dbraw/zinc/35/81/74/607358174.db2.gz MEGNEWKBLGBFNT-UHFFFAOYSA-N -1 1 357.377 2.254 20 0 FEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)OCc2ccccc2)n1 ZINC000737469911 598492745 /nfs/dbraw/zinc/49/27/45/598492745.db2.gz DXHCKHOZLQJWNX-UHFFFAOYSA-N -1 1 356.411 2.109 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000737201118 598494965 /nfs/dbraw/zinc/49/49/65/598494965.db2.gz QRZRPRFJQIPOPC-MJHDQNEOSA-N -1 1 358.446 2.212 20 0 FEADMM CCc1nn(CCO[C@H]2CCCC[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706170 598640227 /nfs/dbraw/zinc/64/02/27/598640227.db2.gz HUTNEFFIMFFKIR-WFASDCNBSA-N -1 1 360.462 2.144 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cccc3c2OCCO3)c2ccccc21 ZINC000738372786 598720721 /nfs/dbraw/zinc/72/07/21/598720721.db2.gz VQWUBFSSMDDEAN-UHFFFAOYSA-N -1 1 361.361 2.001 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)ccc1F ZINC000808125144 674442722 /nfs/dbraw/zinc/44/27/22/674442722.db2.gz LDIDTFJPVURMJU-UHFFFAOYSA-N -1 1 364.354 2.255 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1COC2=O ZINC000808126573 674443076 /nfs/dbraw/zinc/44/30/76/674443076.db2.gz APIFTABGPXZASJ-UHFFFAOYSA-N -1 1 353.377 2.226 20 0 FEADMM O=S(=O)([N-]c1c(O)cccc1F)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823583302 599305484 /nfs/dbraw/zinc/30/54/84/599305484.db2.gz LWPLGCCONRRZLJ-UHFFFAOYSA-N -1 1 369.765 2.166 20 0 FEADMM O=C1OC(c2ccccc2OC(F)F)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823547357 599309632 /nfs/dbraw/zinc/30/96/32/599309632.db2.gz JCNQRGOASRTUMU-YFHOEESVSA-N -1 1 373.275 2.406 20 0 FEADMM O=C1OC(c2ccccc2OC(F)F)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823547357 599309633 /nfs/dbraw/zinc/30/96/33/599309633.db2.gz JCNQRGOASRTUMU-YFHOEESVSA-N -1 1 373.275 2.406 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccco2)C1 ZINC000820726658 599327182 /nfs/dbraw/zinc/32/71/82/599327182.db2.gz AATQUTUHSSVNFF-RISCZKNCSA-N -1 1 374.426 2.017 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccco2)C1 ZINC000820726658 599327185 /nfs/dbraw/zinc/32/71/85/599327185.db2.gz AATQUTUHSSVNFF-RISCZKNCSA-N -1 1 374.426 2.017 20 0 FEADMM C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820697324 599338228 /nfs/dbraw/zinc/33/82/28/599338228.db2.gz GBHRWQFFKBOBDA-MNOVXSKESA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820697324 599338231 /nfs/dbraw/zinc/33/82/31/599338231.db2.gz GBHRWQFFKBOBDA-MNOVXSKESA-N -1 1 353.423 2.205 20 0 FEADMM CCCN(CC(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821095053 599340546 /nfs/dbraw/zinc/34/05/46/599340546.db2.gz WEBJQNZVQHIPPU-UHFFFAOYSA-N -1 1 365.793 2.186 20 0 FEADMM C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820698161 599349096 /nfs/dbraw/zinc/34/90/96/599349096.db2.gz QKJOJZATNNQOQT-WDEREUQCSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820698161 599349099 /nfs/dbraw/zinc/34/90/99/599349099.db2.gz QKJOJZATNNQOQT-WDEREUQCSA-N -1 1 353.423 2.205 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC2(C1)CCCCC2 ZINC000823607386 599359826 /nfs/dbraw/zinc/35/98/26/599359826.db2.gz TUWMOKMMZWGASD-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC2(C1)CCCCC2 ZINC000823607386 599359828 /nfs/dbraw/zinc/35/98/28/599359828.db2.gz TUWMOKMMZWGASD-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)c1 ZINC000821491920 599378895 /nfs/dbraw/zinc/37/88/95/599378895.db2.gz COIZRNNUZQXOLE-LCYFTJDESA-N -1 1 366.406 2.284 20 0 FEADMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)c1 ZINC000821491920 599378898 /nfs/dbraw/zinc/37/88/98/599378898.db2.gz COIZRNNUZQXOLE-LCYFTJDESA-N -1 1 366.406 2.284 20 0 FEADMM COc1cccc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn2C)c1 ZINC000737125287 599400081 /nfs/dbraw/zinc/40/00/81/599400081.db2.gz AGBGREIKAGEPKN-MRXNPFEDSA-N -1 1 362.397 2.205 20 0 FEADMM COc1cccc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn2C)c1 ZINC000737125287 599400082 /nfs/dbraw/zinc/40/00/82/599400082.db2.gz AGBGREIKAGEPKN-MRXNPFEDSA-N -1 1 362.397 2.205 20 0 FEADMM FC(F)(F)c1ccc(NCCNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000737637061 599405133 /nfs/dbraw/zinc/40/51/33/599405133.db2.gz YQNWOAXGMWYGAQ-UHFFFAOYSA-N -1 1 350.308 2.200 20 0 FEADMM FC(F)(F)c1ccc(NCCNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000737637061 599405134 /nfs/dbraw/zinc/40/51/34/599405134.db2.gz YQNWOAXGMWYGAQ-UHFFFAOYSA-N -1 1 350.308 2.200 20 0 FEADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1cccc(C(F)(F)F)c1 ZINC000738380915 599435276 /nfs/dbraw/zinc/43/52/76/599435276.db2.gz DISYGRHRLFQYOS-LBPRGKRZSA-N -1 1 350.304 2.426 20 0 FEADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000738380915 599435279 /nfs/dbraw/zinc/43/52/79/599435279.db2.gz DISYGRHRLFQYOS-LBPRGKRZSA-N -1 1 350.304 2.426 20 0 FEADMM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1noc(C)n1 ZINC000821882539 599440420 /nfs/dbraw/zinc/44/04/20/599440420.db2.gz DHKHCCSMANRQQC-OAHLLOKOSA-N -1 1 367.369 2.039 20 0 FEADMM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1noc(C)n1 ZINC000821882539 599440422 /nfs/dbraw/zinc/44/04/22/599440422.db2.gz DHKHCCSMANRQQC-OAHLLOKOSA-N -1 1 367.369 2.039 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821977565 599450340 /nfs/dbraw/zinc/45/03/40/599450340.db2.gz IBKFNRPTUNDNSM-GWCFXTLKSA-N -1 1 374.470 2.388 20 0 FEADMM Cc1c(Br)csc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000632053827 676973097 /nfs/dbraw/zinc/97/30/97/676973097.db2.gz DGBRBEXKIRRIEX-QMMMGPOBSA-N -1 1 356.249 2.352 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)[N-]CC(F)(F)Br)cc12 ZINC000808572739 674463498 /nfs/dbraw/zinc/46/34/98/674463498.db2.gz LARJJJADTFYVMS-UHFFFAOYSA-N -1 1 370.175 2.051 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2C3CCCC2CCC3)cc1-c1nn[n-]n1 ZINC000821970393 599486562 /nfs/dbraw/zinc/48/65/62/599486562.db2.gz NEJIFPAICCEVQH-UHFFFAOYSA-N -1 1 360.443 2.236 20 0 FEADMM NC(=O)c1cccc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000822889700 599519851 /nfs/dbraw/zinc/51/98/51/599519851.db2.gz BTVMBSCLMYWEHB-UHFFFAOYSA-N -1 1 359.393 2.168 20 0 FEADMM NC(=O)c1cccc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000822889700 599519854 /nfs/dbraw/zinc/51/98/54/599519854.db2.gz BTVMBSCLMYWEHB-UHFFFAOYSA-N -1 1 359.393 2.168 20 0 FEADMM Cc1cnn(CC2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)c1 ZINC000822403435 599537261 /nfs/dbraw/zinc/53/72/61/599537261.db2.gz NPYFPRXVUGZHAN-UHFFFAOYSA-N -1 1 358.837 2.337 20 0 FEADMM Cc1cnn(CC2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c1 ZINC000822403435 599537264 /nfs/dbraw/zinc/53/72/64/599537264.db2.gz NPYFPRXVUGZHAN-UHFFFAOYSA-N -1 1 358.837 2.337 20 0 FEADMM CCOC(=O)COc1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000821334052 599626300 /nfs/dbraw/zinc/62/63/00/599626300.db2.gz GOYUKZSJVCDQMI-UHFFFAOYSA-N -1 1 374.378 2.089 20 0 FEADMM Cc1ccc([C@@H](C)C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000822227698 599671508 /nfs/dbraw/zinc/67/15/08/599671508.db2.gz RVVWYWHCGDPNOK-SNVBAGLBSA-N -1 1 373.369 2.263 20 0 FEADMM COc1ccc([C@@H](NCc2cc(=O)n3cc(Cl)ccc3n2)C(=O)[O-])cc1 ZINC000737968644 599856790 /nfs/dbraw/zinc/85/67/90/599856790.db2.gz CNZWEPFDWOEOLG-QGZVFWFLSA-N -1 1 373.796 2.272 20 0 FEADMM Cc1[nH]c(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c(C)c1C(=O)[O-] ZINC000738155974 599893278 /nfs/dbraw/zinc/89/32/78/599893278.db2.gz HWYYOXSUQFYKBK-UHFFFAOYSA-N -1 1 357.345 2.184 20 0 FEADMM Cc1[nH]c(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c(C)c1C(=O)[O-] ZINC000738155974 599893279 /nfs/dbraw/zinc/89/32/79/599893279.db2.gz HWYYOXSUQFYKBK-UHFFFAOYSA-N -1 1 357.345 2.184 20 0 FEADMM O=C([O-])c1cccc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)c1O ZINC000739483967 599950593 /nfs/dbraw/zinc/95/05/93/599950593.db2.gz NJJTXXBEEKQYIJ-UHFFFAOYSA-N -1 1 357.347 2.280 20 0 FEADMM Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000322143617 600254702 /nfs/dbraw/zinc/25/47/02/600254702.db2.gz QYVHVZNVKQNXOP-UHFFFAOYSA-N -1 1 359.747 2.384 20 0 FEADMM CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000737029713 600255303 /nfs/dbraw/zinc/25/53/03/600255303.db2.gz KYYJKFMDMOBARY-UHFFFAOYSA-N -1 1 366.395 2.389 20 0 FEADMM CC(C)OCc1ccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736486571 600302806 /nfs/dbraw/zinc/30/28/06/600302806.db2.gz ZPAMWWFYCHBHRH-GOSISDBHSA-N -1 1 374.481 2.415 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736167167 600304501 /nfs/dbraw/zinc/30/45/01/600304501.db2.gz HWIFCWLGEAUVIR-WBMJQRKESA-N -1 1 359.426 2.159 20 0 FEADMM CCCOCc1ccccc1CNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737027746 600305850 /nfs/dbraw/zinc/30/58/50/600305850.db2.gz ISRDHEKSZOSSCY-SFHVURJKSA-N -1 1 374.481 2.416 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000737530299 600316758 /nfs/dbraw/zinc/31/67/58/600316758.db2.gz RYAZYCSZEOGNCO-HNNXBMFYSA-N -1 1 372.469 2.157 20 0 FEADMM COc1ccc([C@@H](NCCC(=O)N(C)CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737975614 600317837 /nfs/dbraw/zinc/31/78/37/600317837.db2.gz ZJJVADCLFYIAOP-FQEVSTJZSA-N -1 1 374.412 2.446 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(F)c1 ZINC000737357819 600341422 /nfs/dbraw/zinc/34/14/22/600341422.db2.gz FDWAHLHQLRPLFF-HOTGVXAUSA-N -1 1 363.433 2.325 20 0 FEADMM COc1ccc(CNC(=O)N2C[C@@H]3CCCCN3C[C@H]2C)cc1C(=O)[O-] ZINC000738001583 600359272 /nfs/dbraw/zinc/35/92/72/600359272.db2.gz HCKHELUIUXFFCT-HIFRSBDPSA-N -1 1 361.442 2.162 20 0 FEADMM CCOC(=O)c1c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])sc2c1CCC2 ZINC000580569452 600375785 /nfs/dbraw/zinc/37/57/85/600375785.db2.gz QENPEEAYKZFYPV-JTQLQIEISA-N -1 1 368.455 2.005 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)N(C)C ZINC000809122544 674484123 /nfs/dbraw/zinc/48/41/23/674484123.db2.gz SWVDJWNKCSMPJV-JTQLQIEISA-N -1 1 358.407 2.158 20 0 FEADMM CCC[C@@](C)(NCC(=O)Nc1ccnn1Cc1cccs1)C(=O)[O-] ZINC000736965157 600461941 /nfs/dbraw/zinc/46/19/41/600461941.db2.gz TUZRETCNSVQQQQ-MRXNPFEDSA-N -1 1 350.444 2.164 20 0 FEADMM C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661863 600521439 /nfs/dbraw/zinc/52/14/39/600521439.db2.gz IVKGWPNIACPBAO-STQMWFEESA-N -1 1 370.405 2.469 20 0 FEADMM CC(C)CCOc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000736431673 600529610 /nfs/dbraw/zinc/52/96/10/600529610.db2.gz CILOAXOKAJARIV-UHFFFAOYSA-N -1 1 367.427 2.193 20 0 FEADMM COC(=O)c1c(C)c(C)sc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000737649821 600559297 /nfs/dbraw/zinc/55/92/97/600559297.db2.gz KBBHBWUKSNRHRJ-UHFFFAOYSA-N -1 1 354.428 2.077 20 0 FEADMM Cc1oc(COC(=O)CC2(N3CCOCC3)CCCC2)cc1C(=O)[O-] ZINC000738981253 600583833 /nfs/dbraw/zinc/58/38/33/600583833.db2.gz JNSDOMKKWNDRNI-UHFFFAOYSA-N -1 1 351.399 2.365 20 0 FEADMM C[C@H](CS[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000736616819 600595417 /nfs/dbraw/zinc/59/54/17/600595417.db2.gz MFISOCBDQVBDKP-YCPHGPKFSA-N -1 1 350.484 2.220 20 0 FEADMM CN(C)Cc1cc(CNC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1F ZINC000659756871 600620033 /nfs/dbraw/zinc/62/00/33/600620033.db2.gz HAOITUBIOLXWDR-UHFFFAOYSA-N -1 1 360.385 2.281 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736940773 600651754 /nfs/dbraw/zinc/65/17/54/600651754.db2.gz HPRDHGVPFNVCCK-CQSZACIVSA-N -1 1 354.472 2.236 20 0 FEADMM C[C@H]1CCN(C(=O)/C=C/C2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809248335 674488779 /nfs/dbraw/zinc/48/87/79/674488779.db2.gz BEBBAAGRWJTAQN-IIZBXWQJSA-N -1 1 362.392 2.273 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c[nH]1 ZINC000833306046 600674953 /nfs/dbraw/zinc/67/49/53/600674953.db2.gz UVOFEBSDFUIRRU-UHFFFAOYSA-N -1 1 373.390 2.488 20 0 FEADMM CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000728507535 600680497 /nfs/dbraw/zinc/68/04/97/600680497.db2.gz BWCLQQRUPRVVHA-UHFFFAOYSA-N -1 1 369.424 2.287 20 0 FEADMM CN1C(=O)CCc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000560795099 600680817 /nfs/dbraw/zinc/68/08/17/600680817.db2.gz CUMYKFUDSIXUMI-UHFFFAOYSA-N -1 1 366.420 2.156 20 0 FEADMM C[S@](=O)Cc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000609658414 600682316 /nfs/dbraw/zinc/68/23/16/600682316.db2.gz RJGCUSQMODZNCB-NRFANRHFSA-N -1 1 359.450 2.126 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)C[C@@H]2CCCCO2)c(OC(F)F)c1 ZINC000740155834 600694330 /nfs/dbraw/zinc/69/43/30/600694330.db2.gz VYSYZVOAPYDHCR-JTQLQIEISA-N -1 1 365.354 2.297 20 0 FEADMM O=C([O-])[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1F ZINC000833170583 600744125 /nfs/dbraw/zinc/74/41/25/600744125.db2.gz YPPBZKREVLFLBC-SFHVURJKSA-N -1 1 372.396 2.214 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3cc(C(=O)[O-])ccc3C)[nH]c2c1 ZINC000832958582 600792039 /nfs/dbraw/zinc/79/20/39/600792039.db2.gz ABJFGHACJLNYLW-UHFFFAOYSA-N -1 1 359.407 2.356 20 0 FEADMM COCCN1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C[C@@H]1C ZINC000831744566 600826193 /nfs/dbraw/zinc/82/61/93/600826193.db2.gz LDTBNRNIAKOSGQ-ZDUSSCGKSA-N -1 1 356.850 2.070 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)C(=O)[O-] ZINC000736412700 600955901 /nfs/dbraw/zinc/95/59/01/600955901.db2.gz PLTADTCXTBSKDG-KRWDZBQOSA-N -1 1 372.469 2.358 20 0 FEADMM CC(C)[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCS1 ZINC000581017184 601037726 /nfs/dbraw/zinc/03/77/26/601037726.db2.gz NPEGRTDDIAUWSR-BBRMVZONSA-N -1 1 350.484 2.463 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000630226203 601088607 /nfs/dbraw/zinc/08/86/07/601088607.db2.gz YPOATLAXKYOOOS-CYBMUJFWSA-N -1 1 362.474 2.137 20 0 FEADMM C[C@H](CCc1ccccc1F)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630222512 601090213 /nfs/dbraw/zinc/09/02/13/601090213.db2.gz FVAQGSIMTSHZHB-HUUCEWRRSA-N -1 1 350.434 2.402 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000630222267 601092929 /nfs/dbraw/zinc/09/29/29/601092929.db2.gz FUDPRQFHNAAATM-JHJVBQTASA-N -1 1 350.381 2.363 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-c3ccccc3)n2C)CC1 ZINC000827374360 601099157 /nfs/dbraw/zinc/09/91/57/601099157.db2.gz GZPONDLDQWVKKQ-OAHLLOKOSA-N -1 1 355.438 2.313 20 0 FEADMM COc1ccccc1C/C(C)=C\C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832607309 601102947 /nfs/dbraw/zinc/10/29/47/601102947.db2.gz BWYLRCIKTMARBT-UGEDRFTOSA-N -1 1 360.454 2.191 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000827374909 601104569 /nfs/dbraw/zinc/10/45/69/601104569.db2.gz OAXPSZKALDMMGS-ZDUSSCGKSA-N -1 1 359.401 2.442 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000832918680 601118524 /nfs/dbraw/zinc/11/85/24/601118524.db2.gz XXOHORDYPDHBDM-GJZGRUSLSA-N -1 1 370.453 2.318 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000827368566 601131431 /nfs/dbraw/zinc/13/14/31/601131431.db2.gz GOOUUKVKHIMEHG-AWEZNQCLSA-N -1 1 371.441 2.100 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000827368342 601132585 /nfs/dbraw/zinc/13/25/85/601132585.db2.gz BTPIVNGFCDPGHR-CYBMUJFWSA-N -1 1 357.414 2.089 20 0 FEADMM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cn2)C[C@@H](C)O1 ZINC000820775752 607491932 /nfs/dbraw/zinc/49/19/32/607491932.db2.gz JCLSDJUOTVKKPL-VXGBXAGGSA-N -1 1 355.402 2.080 20 0 FEADMM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cn2)C[C@@H](C)O1 ZINC000820775752 607491934 /nfs/dbraw/zinc/49/19/34/607491934.db2.gz JCLSDJUOTVKKPL-VXGBXAGGSA-N -1 1 355.402 2.080 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)N1CCC(C)CC1 ZINC000828286436 601228460 /nfs/dbraw/zinc/22/84/60/601228460.db2.gz UDKUKUOYKZZKGJ-KKTNHOPESA-N -1 1 366.483 2.183 20 0 FEADMM O=C([O-])[C@H](CNC(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000833132538 601313794 /nfs/dbraw/zinc/31/37/94/601313794.db2.gz DHJSWOBRXGEKRY-MRXNPFEDSA-N -1 1 351.366 2.257 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013345261 601316490 /nfs/dbraw/zinc/31/64/90/601316490.db2.gz SQYMDLSAJYBBBM-DHZHZOJOSA-N -1 1 361.375 2.372 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000827379349 601338855 /nfs/dbraw/zinc/33/88/55/601338855.db2.gz GDKIFMGIPYTHHO-IWUURBKTSA-N -1 1 365.543 2.311 20 0 FEADMM COc1ccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1F ZINC000832407659 601338981 /nfs/dbraw/zinc/33/89/81/601338981.db2.gz JIHMQMOLFROJDT-NSHDSACASA-N -1 1 355.435 2.012 20 0 FEADMM CN1CCOc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21 ZINC000830965291 601362495 /nfs/dbraw/zinc/36/24/95/601362495.db2.gz PXYSYHWONVKZSK-UHFFFAOYSA-N -1 1 366.370 2.153 20 0 FEADMM COCc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000831821998 601383929 /nfs/dbraw/zinc/38/39/29/601383929.db2.gz KFYITYGCNWTMTL-UHFFFAOYSA-N -1 1 356.787 2.380 20 0 FEADMM CCC1CCC(NCC(=O)NCc2cccc(COC)c2)(C(=O)[O-])CC1 ZINC000829101696 601494023 /nfs/dbraw/zinc/49/40/23/601494023.db2.gz UTPQKOHKIRYBFD-UHFFFAOYSA-N -1 1 362.470 2.462 20 0 FEADMM CCCCOC(=O)c1ccc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000829401111 601521832 /nfs/dbraw/zinc/52/18/32/601521832.db2.gz CUFJZHVSGNEBNF-XJKSGUPXSA-N -1 1 362.426 2.235 20 0 FEADMM O=C(CN1CCC[C@@H]2COCC[C@@H]21)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833106474 601662410 /nfs/dbraw/zinc/66/24/10/601662410.db2.gz SYYISMQEQPHJDT-YPMHNXCESA-N -1 1 364.467 2.374 20 0 FEADMM Cn1c(=O)c2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2[nH]c1=S ZINC000738403124 601730815 /nfs/dbraw/zinc/73/08/15/601730815.db2.gz HJCNAGAFLAQWOZ-UHFFFAOYSA-N -1 1 369.402 2.102 20 0 FEADMM Cc1ncc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)s1 ZINC000833008432 601735844 /nfs/dbraw/zinc/73/58/44/601735844.db2.gz ZOCWEPPRSYHLMK-SFHVURJKSA-N -1 1 359.451 2.301 20 0 FEADMM O=C([O-])[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1F ZINC000833116237 601738480 /nfs/dbraw/zinc/73/84/80/601738480.db2.gz OFEWKNPLVOUOKB-VIFPVBQESA-N -1 1 359.429 2.000 20 0 FEADMM O=C([O-])[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC000548198290 601810023 /nfs/dbraw/zinc/81/00/23/601810023.db2.gz JUSPEQSVDVREEW-GFCCVEGCSA-N -1 1 363.288 2.347 20 0 FEADMM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000827735045 601832446 /nfs/dbraw/zinc/83/24/46/601832446.db2.gz OTBHJFYZHZNRFT-ZDUSSCGKSA-N -1 1 356.426 2.430 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000829781377 601861135 /nfs/dbraw/zinc/86/11/35/601861135.db2.gz VHLYILGLWDXXNA-IBGZPJMESA-N -1 1 360.458 2.157 20 0 FEADMM CC(C)C[C@@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000826840984 601881624 /nfs/dbraw/zinc/88/16/24/601881624.db2.gz SGXYSSJEVYWTIN-AWEZNQCLSA-N -1 1 359.426 2.479 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000825971733 601923926 /nfs/dbraw/zinc/92/39/26/601923926.db2.gz DXLUUFTUBLWAPR-WFASDCNBSA-N -1 1 354.447 2.065 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CC(=O)NCc1ccccc1F ZINC000740369537 601927040 /nfs/dbraw/zinc/92/70/40/601927040.db2.gz NHFMWHUXXVDBQS-SJORKVTESA-N -1 1 363.433 2.439 20 0 FEADMM CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000829642693 601927873 /nfs/dbraw/zinc/92/78/73/601927873.db2.gz OHBBFNLLOAOQAA-DOTOQJQBSA-N -1 1 350.484 2.488 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 ZINC000740369598 601930200 /nfs/dbraw/zinc/93/02/00/601930200.db2.gz ORLKDEMELBRXAI-IAGOWNOFSA-N -1 1 363.433 2.439 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738632253 601955046 /nfs/dbraw/zinc/95/50/46/601955046.db2.gz RKWFCOKOYVLPNN-WDEREUQCSA-N -1 1 357.357 2.205 20 0 FEADMM O=C(Nc1nc(CN2CCOCC2)cs1)c1c(F)ccc([O-])c1F ZINC000558403867 674493778 /nfs/dbraw/zinc/49/37/78/674493778.db2.gz OBUQXVLOAHPOOS-UHFFFAOYSA-N -1 1 355.366 2.211 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000827380378 602046143 /nfs/dbraw/zinc/04/61/43/602046143.db2.gz SPCMUMCXYBUJHT-HNNXBMFYSA-N -1 1 353.422 2.370 20 0 FEADMM O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833116224 602056443 /nfs/dbraw/zinc/05/64/43/602056443.db2.gz ODNADSHFCBAGTP-DTWKUNHWSA-N -1 1 361.514 2.459 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1ccsc1 ZINC000739609718 602086422 /nfs/dbraw/zinc/08/64/22/602086422.db2.gz XMTKGKKROPJSRC-AWEZNQCLSA-N -1 1 354.476 2.040 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739608617 602105483 /nfs/dbraw/zinc/10/54/83/602105483.db2.gz PTPDGORXLRMKME-BBRMVZONSA-N -1 1 366.437 2.118 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)Cc2n[nH]c3ccccc23)c1 ZINC000740671043 602281006 /nfs/dbraw/zinc/28/10/06/602281006.db2.gz OANRAZOIUVVJLF-UHFFFAOYSA-N -1 1 354.366 2.391 20 0 FEADMM CN(CC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C(=O)[O-] ZINC000739628450 602325481 /nfs/dbraw/zinc/32/54/81/602325481.db2.gz ZNMAKVYNKYRMKD-UHFFFAOYSA-N -1 1 362.430 2.049 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@@H](NC(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000739945293 602351091 /nfs/dbraw/zinc/35/10/91/602351091.db2.gz JUQROYWNOFPTDL-ROUUACIJSA-N -1 1 371.437 2.423 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000739021279 602446742 /nfs/dbraw/zinc/44/67/42/602446742.db2.gz BUDBPSQNHZNPEB-ZDUSSCGKSA-N -1 1 367.877 2.367 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740185817 602446779 /nfs/dbraw/zinc/44/67/79/602446779.db2.gz XQFYXWKIVBRBPT-HZPDHXFCSA-N -1 1 361.486 2.410 20 0 FEADMM COc1cncc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)n1 ZINC000633730445 677062882 /nfs/dbraw/zinc/06/28/82/677062882.db2.gz AQGKEFMSLCYXIF-UHFFFAOYSA-N -1 1 355.248 2.243 20 0 FEADMM C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738630892 602530567 /nfs/dbraw/zinc/53/05/67/602530567.db2.gz SKMYMPWZUZINPZ-CABCVRRESA-N -1 1 372.469 2.147 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737680445 602531551 /nfs/dbraw/zinc/53/15/51/602531551.db2.gz JYEISQLABJYPGP-STQMWFEESA-N -1 1 351.422 2.466 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1Cl ZINC000738963074 602538483 /nfs/dbraw/zinc/53/84/83/602538483.db2.gz VSZAVFAZERKVEA-STQMWFEESA-N -1 1 353.850 2.449 20 0 FEADMM CCCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739355295 602546731 /nfs/dbraw/zinc/54/67/31/602546731.db2.gz XPUGSMYTNYHMSN-XJKSGUPXSA-N -1 1 351.422 2.467 20 0 FEADMM CCN(CCCNC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000739421749 602588498 /nfs/dbraw/zinc/58/84/98/602588498.db2.gz PAUNLNBDUCNSJQ-UHFFFAOYSA-N -1 1 369.219 2.445 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739651508 602610251 /nfs/dbraw/zinc/61/02/51/602610251.db2.gz QGUKOOCTEHAJCU-CJNGLKHVSA-N -1 1 366.437 2.070 20 0 FEADMM O=S(=O)(Oc1ccc(F)cc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493511 607579696 /nfs/dbraw/zinc/57/96/96/607579696.db2.gz NZOJGUCONUYUAQ-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1ccc(F)cc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493511 607579697 /nfs/dbraw/zinc/57/96/97/607579697.db2.gz NZOJGUCONUYUAQ-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739606608 602692164 /nfs/dbraw/zinc/69/21/64/602692164.db2.gz FNNYJDNNZZJYSA-CJNGLKHVSA-N -1 1 366.437 2.118 20 0 FEADMM O=S(=O)(Oc1ccc(F)c(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493721 607577715 /nfs/dbraw/zinc/57/77/15/607577715.db2.gz ZNNJCOCPAUDPKU-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1ccc(F)c(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493721 607577716 /nfs/dbraw/zinc/57/77/16/607577716.db2.gz ZNNJCOCPAUDPKU-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM Cc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826298440 607583950 /nfs/dbraw/zinc/58/39/50/607583950.db2.gz SERZJJFCZBATSZ-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM Cc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826298440 607583951 /nfs/dbraw/zinc/58/39/51/607583951.db2.gz SERZJJFCZBATSZ-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C)c1ccco1 ZINC000739407905 602755519 /nfs/dbraw/zinc/75/55/19/602755519.db2.gz NNZQPVJSBDOPOY-KBPBESRZSA-N -1 1 352.435 2.056 20 0 FEADMM C[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H](C)N1C(=O)[O-] ZINC000739175088 602839279 /nfs/dbraw/zinc/83/92/79/602839279.db2.gz BJEQEMKDTCVBFN-IOASZLSFSA-N -1 1 356.850 2.290 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)ccc1F ZINC000739609767 602841176 /nfs/dbraw/zinc/84/11/76/602841176.db2.gz GHYZSYRXEOSITB-OAHLLOKOSA-N -1 1 366.437 2.171 20 0 FEADMM CCC(CC)(CCO)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000558724779 674513177 /nfs/dbraw/zinc/51/31/77/674513177.db2.gz MHJGLOKCEIHYIR-UHFFFAOYSA-N -1 1 360.476 2.027 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)CCOCC(F)(F)F)c1nc(C2CC2)no1 ZINC000809814297 674511669 /nfs/dbraw/zinc/51/16/69/674511669.db2.gz HHHKDIJKERRPHQ-JTQLQIEISA-N -1 1 371.381 2.142 20 0 FEADMM C[C@H]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824928222 607595118 /nfs/dbraw/zinc/59/51/18/607595118.db2.gz SJVAJUOJWUZYNJ-QWRGUYRKSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@H]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824928222 607595119 /nfs/dbraw/zinc/59/51/19/607595119.db2.gz SJVAJUOJWUZYNJ-QWRGUYRKSA-N -1 1 353.423 2.110 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000740078723 602937190 /nfs/dbraw/zinc/93/71/90/602937190.db2.gz CJCMFZDWRRYFMZ-DOTOQJQBSA-N -1 1 360.458 2.122 20 0 FEADMM O=C([O-])NC[C@H](NC(=O)N1CCN(C2CCC2)CC1)C1CCCCC1 ZINC000740614819 602967655 /nfs/dbraw/zinc/96/76/55/602967655.db2.gz VEXNUMFULFWTSL-INIZCTEOSA-N -1 1 352.479 2.083 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCN1CCOC ZINC000739279862 603042273 /nfs/dbraw/zinc/04/22/73/603042273.db2.gz OWZMZBHPVDEOPO-ZDUSSCGKSA-N -1 1 368.409 2.490 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000740517253 603057911 /nfs/dbraw/zinc/05/79/11/603057911.db2.gz OFAXSKIYTWLYKX-CABCVRRESA-N -1 1 370.409 2.473 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CCN1C[C@@H](C)O ZINC000826691486 603059528 /nfs/dbraw/zinc/05/95/28/603059528.db2.gz RXQJPMWTOPPJTA-YPMHNXCESA-N -1 1 369.849 2.347 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=Cc3cccnc3)cc2)n1 ZINC000740681330 603060736 /nfs/dbraw/zinc/06/07/36/603060736.db2.gz FWYHOIRHBTXOJC-FPYGCLRLSA-N -1 1 364.365 2.286 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C=Cc3cccnc3)cc2)n[nH]1 ZINC000740681330 603060742 /nfs/dbraw/zinc/06/07/42/603060742.db2.gz FWYHOIRHBTXOJC-FPYGCLRLSA-N -1 1 364.365 2.286 20 0 FEADMM C[C@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825013799 607612969 /nfs/dbraw/zinc/61/29/69/607612969.db2.gz RRYZKDGZDPWNGQ-MGPLVRAMSA-N -1 1 373.413 2.218 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])o1 ZINC000739412178 603216467 /nfs/dbraw/zinc/21/64/67/603216467.db2.gz YRRLOHVMNSLREM-TZMCWYRMSA-N -1 1 367.446 2.355 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])o1 ZINC000739412175 603216623 /nfs/dbraw/zinc/21/66/23/603216623.db2.gz YRRLOHVMNSLREM-JSGCOSHPSA-N -1 1 367.446 2.355 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000824915542 607614869 /nfs/dbraw/zinc/61/48/69/607614869.db2.gz GBLRPMWQCFRBHG-SCVCMEIPSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824915542 607614870 /nfs/dbraw/zinc/61/48/70/607614870.db2.gz GBLRPMWQCFRBHG-SCVCMEIPSA-N -1 1 353.423 2.109 20 0 FEADMM CN(CCCNC(=O)[O-])CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000739677278 603254663 /nfs/dbraw/zinc/25/46/63/603254663.db2.gz UQONESKSGZYBQJ-UHFFFAOYSA-N -1 1 370.453 2.373 20 0 FEADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000739606830 603383866 /nfs/dbraw/zinc/38/38/66/603383866.db2.gz JDNIUZXRYKFODA-MRXNPFEDSA-N -1 1 370.409 2.134 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNCc1c(Cl)nc(Cl)n1C ZINC000826126852 603565257 /nfs/dbraw/zinc/56/52/57/603565257.db2.gz QEYNERIIFGFXTM-JGVFFNPUSA-N -1 1 351.234 2.320 20 0 FEADMM Cc1oc(NC(=O)CN2CC[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341967 607638118 /nfs/dbraw/zinc/63/81/18/607638118.db2.gz UXOWFLWOKXTZHQ-AWEZNQCLSA-N -1 1 352.398 2.462 20 0 FEADMM CC(C)N(C1CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824289123 607640737 /nfs/dbraw/zinc/64/07/37/607640737.db2.gz UPVLSUGBLJTPPW-UHFFFAOYSA-N -1 1 355.851 2.472 20 0 FEADMM CC(C)N(C1CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824289123 607640738 /nfs/dbraw/zinc/64/07/38/607640738.db2.gz UPVLSUGBLJTPPW-UHFFFAOYSA-N -1 1 355.851 2.472 20 0 FEADMM C[C@H](CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])N1CCc2ccccc2C1 ZINC000824939818 603682655 /nfs/dbraw/zinc/68/26/55/603682655.db2.gz PUMSVEOHASBDGK-HFTRVMKXSA-N -1 1 374.485 2.169 20 0 FEADMM COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)o1 ZINC000829041214 603735632 /nfs/dbraw/zinc/73/56/32/603735632.db2.gz YUAGHVMKWYKXLC-UHFFFAOYSA-N -1 1 371.353 2.231 20 0 FEADMM COCc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)o1 ZINC000829041214 603735635 /nfs/dbraw/zinc/73/56/35/603735635.db2.gz YUAGHVMKWYKXLC-UHFFFAOYSA-N -1 1 371.353 2.231 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])ccc1F ZINC000828042607 603800820 /nfs/dbraw/zinc/80/08/20/603800820.db2.gz JKEALWQVAYJBGU-XJKSGUPXSA-N -1 1 366.437 2.123 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827994682 603970122 /nfs/dbraw/zinc/97/01/22/603970122.db2.gz MWJLMVZOCVSMNV-VHDGCEQUSA-N -1 1 353.850 2.495 20 0 FEADMM Cc1nnc(SCCC(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)[nH]1 ZINC000830894661 604007959 /nfs/dbraw/zinc/00/79/59/604007959.db2.gz WRAOXNYUAQSWFS-UHFFFAOYSA-N -1 1 365.371 2.053 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1CNC(=O)[O-])c1ccc(Cl)cc1 ZINC000827996626 604046458 /nfs/dbraw/zinc/04/64/58/604046458.db2.gz ZWNDAJQDAMILGB-CABCVRRESA-N -1 1 368.865 2.384 20 0 FEADMM CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824802029 607668648 /nfs/dbraw/zinc/66/86/48/607668648.db2.gz JYLHHLDJTGXIHU-ZDUSSCGKSA-N -1 1 353.423 2.253 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NCC(C)(C)NC(=O)[O-])N2CCCC2)o1 ZINC000830261764 604102961 /nfs/dbraw/zinc/10/29/61/604102961.db2.gz FRBMUSGQTOVDMV-CYBMUJFWSA-N -1 1 352.435 2.070 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000825255982 604251919 /nfs/dbraw/zinc/25/19/19/604251919.db2.gz SUNAJELLDFFKEM-DZKIICNBSA-N -1 1 365.449 2.241 20 0 FEADMM COC(=O)c1cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1C(=O)[O-] ZINC000831294666 604350194 /nfs/dbraw/zinc/35/01/94/604350194.db2.gz ORRAMHYXICOPMN-CYBMUJFWSA-N -1 1 358.354 2.094 20 0 FEADMM CN(CCNC(=O)NCCc1cccc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000833693597 604565969 /nfs/dbraw/zinc/56/59/69/604565969.db2.gz GOVBXJLNMOVFCB-UHFFFAOYSA-N -1 1 373.428 2.498 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC000832908705 604698359 /nfs/dbraw/zinc/69/83/59/604698359.db2.gz QPBVZLDJAFNBHU-GFCCVEGCSA-N -1 1 371.441 2.212 20 0 FEADMM CCc1nn(CCCSCC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763523 607711644 /nfs/dbraw/zinc/71/16/44/607711644.db2.gz YOWVFYBCDVBPDZ-UHFFFAOYSA-N -1 1 350.492 2.328 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1ccccc1C ZINC000826295096 607718213 /nfs/dbraw/zinc/71/82/13/607718213.db2.gz RAUQEQVENYNSLE-UHFFFAOYSA-N -1 1 360.377 2.076 20 0 FEADMM C[C@H]1[C@H](C)N(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCN1C ZINC000833587088 604854502 /nfs/dbraw/zinc/85/45/02/604854502.db2.gz JMFGEUGXXDYRJQ-RYUDHWBXSA-N -1 1 365.499 2.288 20 0 FEADMM CC(C)[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000833621905 604869885 /nfs/dbraw/zinc/86/98/85/604869885.db2.gz KNWPFBPANMCBAE-OZVIIMIRSA-N -1 1 374.441 2.333 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)[O-])n[nH]2)cc1 ZINC000829234030 604889274 /nfs/dbraw/zinc/88/92/74/604889274.db2.gz ISFBKJNKXIAXRA-KGLIPLIRSA-N -1 1 370.409 2.442 20 0 FEADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833387712 604937077 /nfs/dbraw/zinc/93/70/77/604937077.db2.gz KNLIRNSYFWNPBB-MSOLQXFVSA-N -1 1 374.481 2.126 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000833550603 604940856 /nfs/dbraw/zinc/94/08/56/604940856.db2.gz PCSARIXFACJMLQ-ZDUSSCGKSA-N -1 1 354.410 2.130 20 0 FEADMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CCN1C ZINC000833595130 605039229 /nfs/dbraw/zinc/03/92/29/605039229.db2.gz CNYKGHDPABENSU-ZYHUDNBSSA-N -1 1 360.863 2.141 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1c(F)cccc1Cl ZINC000833626230 605048011 /nfs/dbraw/zinc/04/80/11/605048011.db2.gz PALYRINYIIIDFY-NSHDSACASA-N -1 1 357.813 2.170 20 0 FEADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000833547753 605058155 /nfs/dbraw/zinc/05/81/55/605058155.db2.gz VDZVPSFSNMIDKN-LLVKDONJSA-N -1 1 359.382 2.076 20 0 FEADMM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825570438 605076789 /nfs/dbraw/zinc/07/67/89/605076789.db2.gz JWRZSUQHKMMKPM-UFBFGSQYSA-N -1 1 353.762 2.199 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC2CCCC2)nc1 ZINC000833627579 605091548 /nfs/dbraw/zinc/09/15/48/605091548.db2.gz YWYJXSOJTNNKIH-CQSZACIVSA-N -1 1 361.442 2.024 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(Br)c1 ZINC000833626588 605106445 /nfs/dbraw/zinc/10/64/45/605106445.db2.gz PUXBUGBTLLWMPT-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])C[C@H]1C ZINC000833655297 605165031 /nfs/dbraw/zinc/16/50/31/605165031.db2.gz CLXGXLTZFAEQJP-NEPJUHHUSA-N -1 1 365.430 2.348 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])C[C@H]1C ZINC000833655300 605165272 /nfs/dbraw/zinc/16/52/72/605165272.db2.gz CLXGXLTZFAEQJP-VXGBXAGGSA-N -1 1 365.430 2.348 20 0 FEADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CCN1C ZINC000833598685 605175492 /nfs/dbraw/zinc/17/54/92/605175492.db2.gz WRBGRTYHXMDELQ-CMPLNLGQSA-N -1 1 360.863 2.141 20 0 FEADMM CC(C)(CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)N1CCCCC1 ZINC000833459434 605197175 /nfs/dbraw/zinc/19/71/75/605197175.db2.gz CJDZYULRSKSVNU-UHFFFAOYSA-N -1 1 358.435 2.067 20 0 FEADMM C[C@@H]1CN(C(=O)c2csc3c2CC[C@H](C)C3)CCN1CCC(=O)[O-] ZINC000833617016 605252958 /nfs/dbraw/zinc/25/29/58/605252958.db2.gz MNEJXUZOBRIFOY-QWHCGFSZSA-N -1 1 350.484 2.494 20 0 FEADMM CCC(CC)n1nc(C)cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000833642011 605254950 /nfs/dbraw/zinc/25/49/50/605254950.db2.gz VVVRCEJTJDQEOV-CQSZACIVSA-N -1 1 350.463 2.174 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CCN1CCC(=O)[O-] ZINC000833617657 605258239 /nfs/dbraw/zinc/25/82/39/605258239.db2.gz FXXISZXHQQYBBL-ZLDLUXBVSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@]1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000833566714 605273000 /nfs/dbraw/zinc/27/30/00/605273000.db2.gz DZUOFHCCLAHOME-WIYYLYMNSA-N -1 1 373.497 2.348 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)n[nH]1 ZINC000830035948 605297393 /nfs/dbraw/zinc/29/73/93/605297393.db2.gz HTWWSMXJAOUNAK-DGCLKSJQSA-N -1 1 359.430 2.477 20 0 FEADMM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823715809 605336144 /nfs/dbraw/zinc/33/61/44/605336144.db2.gz VFJIDOAEXPLJFW-ABAIWWIYSA-N -1 1 368.397 2.394 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)O1 ZINC000833576505 605362984 /nfs/dbraw/zinc/36/29/84/605362984.db2.gz CBEHITNMEFJLSZ-BLLLJJGKSA-N -1 1 372.343 2.143 20 0 FEADMM CC[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000833847985 605371733 /nfs/dbraw/zinc/37/17/33/605371733.db2.gz LAOAGPZQWORWTD-OCCSQVGLSA-N -1 1 372.429 2.049 20 0 FEADMM CC[C@@H]1CN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC[C@@H]1NC(=O)[O-] ZINC000833847985 605371741 /nfs/dbraw/zinc/37/17/41/605371741.db2.gz LAOAGPZQWORWTD-OCCSQVGLSA-N -1 1 372.429 2.049 20 0 FEADMM O=C([O-])N1CCO[C@H](CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000833986919 605538875 /nfs/dbraw/zinc/53/88/75/605538875.db2.gz FITQCDRFPROXOB-SECBINFHSA-N -1 1 354.313 2.208 20 0 FEADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000825825053 605549443 /nfs/dbraw/zinc/54/94/43/605549443.db2.gz XBPSIJLMVXVSQC-SWLSCSKDSA-N -1 1 366.437 2.217 20 0 FEADMM CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825507183 607762602 /nfs/dbraw/zinc/76/26/02/607762602.db2.gz OVGRWMITXPANPW-LLVKDONJSA-N -1 1 363.443 2.124 20 0 FEADMM CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825507183 607762603 /nfs/dbraw/zinc/76/26/03/607762603.db2.gz OVGRWMITXPANPW-LLVKDONJSA-N -1 1 363.443 2.124 20 0 FEADMM O=C([O-])N1CCC(CCN2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000834077925 605558894 /nfs/dbraw/zinc/55/88/94/605558894.db2.gz HJIZTZUBYXRNSO-UHFFFAOYSA-N -1 1 351.491 2.491 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 ZINC000826356944 607764270 /nfs/dbraw/zinc/76/42/70/607764270.db2.gz LRPMNJHQBVIEJA-AWEZNQCLSA-N -1 1 366.429 2.435 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 ZINC000826356944 607764271 /nfs/dbraw/zinc/76/42/71/607764271.db2.gz LRPMNJHQBVIEJA-AWEZNQCLSA-N -1 1 366.429 2.435 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000834131290 605597037 /nfs/dbraw/zinc/59/70/37/605597037.db2.gz WUIVGVKPTXUTMM-ZDUSSCGKSA-N -1 1 352.354 2.204 20 0 FEADMM CCN(CC)[C@H](CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])c1ccco1 ZINC000827036044 605624917 /nfs/dbraw/zinc/62/49/17/605624917.db2.gz PBHCYDDMORCCJM-ZIAGYGMSSA-N -1 1 369.487 2.264 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)Cc2[nH]nc3ccccc32)nc1C1CC1 ZINC000570572844 605765740 /nfs/dbraw/zinc/76/57/40/605765740.db2.gz GIAONNKXFOJOFZ-UHFFFAOYSA-N -1 1 350.378 2.392 20 0 FEADMM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)c2ccccc21 ZINC000834160120 605803203 /nfs/dbraw/zinc/80/32/03/605803203.db2.gz SCNJYYPMFXBGAW-JHJVBQTASA-N -1 1 357.332 2.193 20 0 FEADMM O=C([O-])Nc1cc(C(=O)OCCCNC(=O)C(F)(F)F)ccc1F ZINC000834254544 605955441 /nfs/dbraw/zinc/95/54/41/605955441.db2.gz AAASHAAPZQVMON-UHFFFAOYSA-N -1 1 352.240 2.141 20 0 FEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000834095491 605973544 /nfs/dbraw/zinc/97/35/44/605973544.db2.gz BXWLERLRZGRBEK-CABCVRRESA-N -1 1 356.386 2.016 20 0 FEADMM Cc1oc(NC(=O)[C@@H](C)N(C)Cc2cccc(C)n2)c(-c2nn[n-]n2)c1C ZINC000822303593 606082612 /nfs/dbraw/zinc/08/26/12/606082612.db2.gz GCLINISYFRBKDP-GFCCVEGCSA-N -1 1 369.429 2.239 20 0 FEADMM C[C@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2)N1CCCCCC1 ZINC000833788957 606105966 /nfs/dbraw/zinc/10/59/66/606105966.db2.gz FCRXNNLGBDUSHS-UKRRQHHQSA-N -1 1 360.458 2.410 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)c1ccccc1 ZINC000820507628 606133590 /nfs/dbraw/zinc/13/35/90/606133590.db2.gz ITVJOZWEFUVCIM-JTQLQIEISA-N -1 1 357.395 2.137 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)c1ccccc1 ZINC000820507628 606133593 /nfs/dbraw/zinc/13/35/93/606133593.db2.gz ITVJOZWEFUVCIM-JTQLQIEISA-N -1 1 357.395 2.137 20 0 FEADMM O=C(OCc1noc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823444912 606137295 /nfs/dbraw/zinc/13/72/95/606137295.db2.gz QPWLIMNSWSVXAJ-UHFFFAOYSA-N -1 1 372.341 2.474 20 0 FEADMM O=C(OCc1noc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823444912 606137296 /nfs/dbraw/zinc/13/72/96/606137296.db2.gz QPWLIMNSWSVXAJ-UHFFFAOYSA-N -1 1 372.341 2.474 20 0 FEADMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820225628 606156039 /nfs/dbraw/zinc/15/60/39/606156039.db2.gz NGVXTGVIPWVDQJ-GFCCVEGCSA-N -1 1 368.445 2.478 20 0 FEADMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820225628 606156040 /nfs/dbraw/zinc/15/60/40/606156040.db2.gz NGVXTGVIPWVDQJ-GFCCVEGCSA-N -1 1 368.445 2.478 20 0 FEADMM CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820155401 606156384 /nfs/dbraw/zinc/15/63/84/606156384.db2.gz PKYKKCBTESLXTD-LLVKDONJSA-N -1 1 370.417 2.270 20 0 FEADMM CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820155401 606156386 /nfs/dbraw/zinc/15/63/86/606156386.db2.gz PKYKKCBTESLXTD-LLVKDONJSA-N -1 1 370.417 2.270 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C3CCCCC3)CC2)n1 ZINC000822609522 606157844 /nfs/dbraw/zinc/15/78/44/606157844.db2.gz PBHMCAGWFXOPBF-UHFFFAOYSA-N -1 1 358.450 2.424 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C3CCCCC3)CC2)n1 ZINC000822609522 606157846 /nfs/dbraw/zinc/15/78/46/606157846.db2.gz PBHMCAGWFXOPBF-UHFFFAOYSA-N -1 1 358.450 2.424 20 0 FEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668413 606157967 /nfs/dbraw/zinc/15/79/67/606157967.db2.gz SFZDMVCFPLBXEN-HZMBPMFUSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668413 606157969 /nfs/dbraw/zinc/15/79/69/606157969.db2.gz SFZDMVCFPLBXEN-HZMBPMFUSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820570250 606171769 /nfs/dbraw/zinc/17/17/69/606171769.db2.gz FGYPGFVSRIIBPY-VIFPVBQESA-N -1 1 360.809 2.479 20 0 FEADMM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820570250 606171771 /nfs/dbraw/zinc/17/17/71/606171771.db2.gz FGYPGFVSRIIBPY-VIFPVBQESA-N -1 1 360.809 2.479 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000820380471 606172128 /nfs/dbraw/zinc/17/21/28/606172128.db2.gz UINJRYVUHMOPIV-NSHDSACASA-N -1 1 354.418 2.088 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000820380471 606172130 /nfs/dbraw/zinc/17/21/30/606172130.db2.gz UINJRYVUHMOPIV-NSHDSACASA-N -1 1 354.418 2.088 20 0 FEADMM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668128 606172438 /nfs/dbraw/zinc/17/24/38/606172438.db2.gz QAKZPGKTGIMACH-HZMBPMFUSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668128 606172439 /nfs/dbraw/zinc/17/24/39/606172439.db2.gz QAKZPGKTGIMACH-HZMBPMFUSA-N -1 1 370.392 2.354 20 0 FEADMM CC(C)n1ncc2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cnc21 ZINC000820215621 606293856 /nfs/dbraw/zinc/29/38/56/606293856.db2.gz XRRJLEFPCGBZMY-UHFFFAOYSA-N -1 1 364.369 2.150 20 0 FEADMM O=C(CCC(=O)c1ccc(F)cc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822946106 606295810 /nfs/dbraw/zinc/29/58/10/606295810.db2.gz VDPOWPLCWDFTBL-UHFFFAOYSA-N -1 1 373.319 2.452 20 0 FEADMM Clc1ccc(NCCCc2nnc3n2CCCCC3)nc1-c1nnn[n-]1 ZINC000822579097 606465718 /nfs/dbraw/zinc/46/57/18/606465718.db2.gz VSVSWDQUMRCOLK-UHFFFAOYSA-N -1 1 373.852 2.278 20 0 FEADMM Clc1ccc(NCCCc2nnc3n2CCCCC3)nc1-c1nn[n-]n1 ZINC000822579097 606465719 /nfs/dbraw/zinc/46/57/19/606465719.db2.gz VSVSWDQUMRCOLK-UHFFFAOYSA-N -1 1 373.852 2.278 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2 ZINC000820392289 606494681 /nfs/dbraw/zinc/49/46/81/606494681.db2.gz UCUSROCYOQNKRE-SECBINFHSA-N -1 1 357.395 2.190 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCCO2 ZINC000820392289 606494683 /nfs/dbraw/zinc/49/46/83/606494683.db2.gz UCUSROCYOQNKRE-SECBINFHSA-N -1 1 357.395 2.190 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323250 606501094 /nfs/dbraw/zinc/50/10/94/606501094.db2.gz IJRDQWAUONNKJG-UHFFFAOYSA-N -1 1 368.422 2.417 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323250 606501096 /nfs/dbraw/zinc/50/10/96/606501096.db2.gz IJRDQWAUONNKJG-UHFFFAOYSA-N -1 1 368.422 2.417 20 0 FEADMM O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823364054 606507812 /nfs/dbraw/zinc/50/78/12/606507812.db2.gz XJQSKTRSLNXNTB-UHFFFAOYSA-N -1 1 356.367 2.137 20 0 FEADMM O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823364054 606507814 /nfs/dbraw/zinc/50/78/14/606507814.db2.gz XJQSKTRSLNXNTB-UHFFFAOYSA-N -1 1 356.367 2.137 20 0 FEADMM O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363431 606509227 /nfs/dbraw/zinc/50/92/27/606509227.db2.gz DCILTOWSLIUAMH-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363431 606509228 /nfs/dbraw/zinc/50/92/28/606509228.db2.gz DCILTOWSLIUAMH-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000821294006 606515143 /nfs/dbraw/zinc/51/51/43/606515143.db2.gz PEFXXFVMZPEXPM-UHFFFAOYSA-N -1 1 356.411 2.239 20 0 FEADMM CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000821294006 606515145 /nfs/dbraw/zinc/51/51/45/606515145.db2.gz PEFXXFVMZPEXPM-UHFFFAOYSA-N -1 1 356.411 2.239 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)c1cccnc1 ZINC000737546844 606577205 /nfs/dbraw/zinc/57/72/05/606577205.db2.gz GOOBZRYUNULIBJ-NSHDSACASA-N -1 1 363.381 2.445 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)c1cccnc1 ZINC000737546844 606577207 /nfs/dbraw/zinc/57/72/07/606577207.db2.gz GOOBZRYUNULIBJ-NSHDSACASA-N -1 1 363.381 2.445 20 0 FEADMM CC(C)Oc1ccc([C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820155695 606597816 /nfs/dbraw/zinc/59/78/16/606597816.db2.gz VKQYTQIZZGWBEC-ZDUSSCGKSA-N -1 1 373.438 2.179 20 0 FEADMM CC(C)Oc1ccc([C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820155695 606597818 /nfs/dbraw/zinc/59/78/18/606597818.db2.gz VKQYTQIZZGWBEC-ZDUSSCGKSA-N -1 1 373.438 2.179 20 0 FEADMM Cc1cc(C)n2ncc(-c3noc(-c4ccc(-c5nnn[n-]5)s4)n3)c2n1 ZINC000822198782 606620493 /nfs/dbraw/zinc/62/04/93/606620493.db2.gz KFINIXRPAZSAGL-UHFFFAOYSA-N -1 1 365.382 2.305 20 0 FEADMM Cc1cc(C)n2ncc(-c3noc(-c4ccc(-c5nn[n-]n5)s4)n3)c2n1 ZINC000822198782 606620494 /nfs/dbraw/zinc/62/04/94/606620494.db2.gz KFINIXRPAZSAGL-UHFFFAOYSA-N -1 1 365.382 2.305 20 0 FEADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000823530507 606625567 /nfs/dbraw/zinc/62/55/67/606625567.db2.gz MRLLLZZHXNLHRQ-UHFFFAOYSA-N -1 1 369.406 2.187 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823435896 606648557 /nfs/dbraw/zinc/64/85/57/606648557.db2.gz CWSOPPUBXWTZMC-NWDGAFQWSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823435896 606648558 /nfs/dbraw/zinc/64/85/58/606648558.db2.gz CWSOPPUBXWTZMC-NWDGAFQWSA-N -1 1 357.320 2.387 20 0 FEADMM COc1cccc(C(C)=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821860246 606648653 /nfs/dbraw/zinc/64/86/53/606648653.db2.gz ZGJRRCFTKJVCKU-WQLSENKSSA-N -1 1 351.366 2.417 20 0 FEADMM COc1cccc(C(C)=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821860246 606648654 /nfs/dbraw/zinc/64/86/54/606648654.db2.gz ZGJRRCFTKJVCKU-WQLSENKSSA-N -1 1 351.366 2.417 20 0 FEADMM CC(C)c1noc2ncc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc21 ZINC000820211528 606649486 /nfs/dbraw/zinc/64/94/86/606649486.db2.gz QWNOJVJRFFXWLZ-UHFFFAOYSA-N -1 1 365.353 2.278 20 0 FEADMM CC(C)c1noc2ncc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc21 ZINC000820211528 606649487 /nfs/dbraw/zinc/64/94/87/606649487.db2.gz QWNOJVJRFFXWLZ-UHFFFAOYSA-N -1 1 365.353 2.278 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000823436394 606651457 /nfs/dbraw/zinc/65/14/57/606651457.db2.gz TUPFIDSIVWUZLU-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000823436394 606651458 /nfs/dbraw/zinc/65/14/58/606651458.db2.gz TUPFIDSIVWUZLU-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM Cc1oc(-c2ccco2)nc1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822535397 606652004 /nfs/dbraw/zinc/65/20/04/606652004.db2.gz QGQZMIZYUASDJV-UHFFFAOYSA-N -1 1 366.337 2.104 20 0 FEADMM Cc1oc(-c2ccco2)nc1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822535397 606652005 /nfs/dbraw/zinc/65/20/05/606652005.db2.gz QGQZMIZYUASDJV-UHFFFAOYSA-N -1 1 366.337 2.104 20 0 FEADMM CCCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000821139456 606652604 /nfs/dbraw/zinc/65/26/04/606652604.db2.gz ZYJYXMABHXHCKD-UHFFFAOYSA-N -1 1 368.397 2.410 20 0 FEADMM CCCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000821139456 606652605 /nfs/dbraw/zinc/65/26/05/606652605.db2.gz ZYJYXMABHXHCKD-UHFFFAOYSA-N -1 1 368.397 2.410 20 0 FEADMM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820248506 606652775 /nfs/dbraw/zinc/65/27/75/606652775.db2.gz IWWMZMDIMABJOH-ZDUSSCGKSA-N -1 1 353.382 2.410 20 0 FEADMM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820248506 606652776 /nfs/dbraw/zinc/65/27/76/606652776.db2.gz IWWMZMDIMABJOH-ZDUSSCGKSA-N -1 1 353.382 2.410 20 0 FEADMM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821619051 606763196 /nfs/dbraw/zinc/76/31/96/606763196.db2.gz HHCJWBRGGHBJDF-UHFFFAOYSA-N -1 1 369.328 2.109 20 0 FEADMM Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822280421 606764193 /nfs/dbraw/zinc/76/41/93/606764193.db2.gz MXTPDFZEMRAECW-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823290342 606769890 /nfs/dbraw/zinc/76/98/90/606769890.db2.gz WOEHTLOIAQVIIS-UHFFFAOYSA-N -1 1 368.307 2.182 20 0 FEADMM O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823290342 606769892 /nfs/dbraw/zinc/76/98/92/606769892.db2.gz WOEHTLOIAQVIIS-UHFFFAOYSA-N -1 1 368.307 2.182 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000822535566 606814472 /nfs/dbraw/zinc/81/44/72/606814472.db2.gz WUNBDCMPVATLFG-STQMWFEESA-N -1 1 352.398 2.431 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000822535566 606814474 /nfs/dbraw/zinc/81/44/74/606814474.db2.gz WUNBDCMPVATLFG-STQMWFEESA-N -1 1 352.398 2.431 20 0 FEADMM CC(C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820067165 606844772 /nfs/dbraw/zinc/84/47/72/606844772.db2.gz FHPHNHVTKBJDAD-LLVKDONJSA-N -1 1 353.423 2.063 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@]1(C)CCCO1 ZINC000822540506 606899594 /nfs/dbraw/zinc/89/95/94/606899594.db2.gz CJTBBUSZTSSTKY-KRWDZBQOSA-N -1 1 357.370 2.285 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@]1(C)CCCO1 ZINC000822540506 606899596 /nfs/dbraw/zinc/89/95/96/606899596.db2.gz CJTBBUSZTSSTKY-KRWDZBQOSA-N -1 1 357.370 2.285 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC2(C)C)cc1-c1nn[n-]n1 ZINC000821979624 606914571 /nfs/dbraw/zinc/91/45/71/606914571.db2.gz UNVRBFIEKIFUMD-LLVKDONJSA-N -1 1 362.459 2.388 20 0 FEADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC000822945469 606965038 /nfs/dbraw/zinc/96/50/38/606965038.db2.gz GPWFYCAFMQZUAV-JTQLQIEISA-N -1 1 357.395 2.399 20 0 FEADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC000822945469 606965040 /nfs/dbraw/zinc/96/50/40/606965040.db2.gz GPWFYCAFMQZUAV-JTQLQIEISA-N -1 1 357.395 2.399 20 0 FEADMM C[C@H](O)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820473837 607059855 /nfs/dbraw/zinc/05/98/55/607059855.db2.gz MRULNKDIQPUXSV-AAEUAGOBSA-N -1 1 357.439 2.213 20 0 FEADMM C[C@H](O)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820473837 607059857 /nfs/dbraw/zinc/05/98/57/607059857.db2.gz MRULNKDIQPUXSV-AAEUAGOBSA-N -1 1 357.439 2.213 20 0 FEADMM COc1cccc([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)CCO2)c1 ZINC000821862969 607095160 /nfs/dbraw/zinc/09/51/60/607095160.db2.gz HEAKSLMMJWKCBH-CYBMUJFWSA-N -1 1 371.422 2.151 20 0 FEADMM COc1cccc([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)CCO2)c1 ZINC000821862969 607095161 /nfs/dbraw/zinc/09/51/61/607095161.db2.gz HEAKSLMMJWKCBH-CYBMUJFWSA-N -1 1 371.422 2.151 20 0 FEADMM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810589994 674552023 /nfs/dbraw/zinc/55/20/23/674552023.db2.gz ARSRBBBFRCWBKM-DYVFJYSZSA-N -1 1 356.463 2.406 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820549575 607103048 /nfs/dbraw/zinc/10/30/48/607103048.db2.gz PCBQVZHRNDQWAW-ZETCQYMHSA-N -1 1 350.791 2.383 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820549575 607103050 /nfs/dbraw/zinc/10/30/50/607103050.db2.gz PCBQVZHRNDQWAW-ZETCQYMHSA-N -1 1 350.791 2.383 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnn(-c2ccccc2Cl)c1 ZINC000823383405 607107529 /nfs/dbraw/zinc/10/75/29/607107529.db2.gz RDCXWWSYPWEJNX-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnn(-c2ccccc2Cl)c1 ZINC000823383405 607107531 /nfs/dbraw/zinc/10/75/31/607107531.db2.gz RDCXWWSYPWEJNX-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM CCCc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)[nH]c(C)c1C(C)=O ZINC000821139292 607108112 /nfs/dbraw/zinc/10/81/12/607108112.db2.gz SEEQZYSJXLFVLR-UHFFFAOYSA-N -1 1 359.415 2.367 20 0 FEADMM CCCc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)[nH]c(C)c1C(C)=O ZINC000821139292 607108114 /nfs/dbraw/zinc/10/81/14/607108114.db2.gz SEEQZYSJXLFVLR-UHFFFAOYSA-N -1 1 359.415 2.367 20 0 FEADMM CS/C=C/C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000821956657 607120112 /nfs/dbraw/zinc/12/01/12/607120112.db2.gz USBQNWSCCQAOMW-CMDGGOBGSA-N -1 1 356.411 2.281 20 0 FEADMM Clc1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)nc1-c1nnn[n-]1 ZINC000822578622 607176541 /nfs/dbraw/zinc/17/65/41/607176541.db2.gz MDFRSFDTBJTKQG-YMTOWFKASA-N -1 1 352.851 2.382 20 0 FEADMM Clc1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)nc1-c1nn[n-]n1 ZINC000822578622 607176542 /nfs/dbraw/zinc/17/65/42/607176542.db2.gz MDFRSFDTBJTKQG-YMTOWFKASA-N -1 1 352.851 2.382 20 0 FEADMM Cc1cc(SC(C)(C)C)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822212718 607212694 /nfs/dbraw/zinc/21/26/94/607212694.db2.gz DWRHVIKAINLDKA-UHFFFAOYSA-N -1 1 372.458 2.296 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CC2(C)C)c1-c1nn[n-]n1 ZINC000826332949 607805655 /nfs/dbraw/zinc/80/56/55/607805655.db2.gz OAFIAOONCKXWLW-CYBMUJFWSA-N -1 1 352.398 2.450 20 0 FEADMM Cc1cc(F)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826268976 607852097 /nfs/dbraw/zinc/85/20/97/607852097.db2.gz WEMQBOVXCZMNSZ-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cc(F)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826268976 607852098 /nfs/dbraw/zinc/85/20/98/607852098.db2.gz WEMQBOVXCZMNSZ-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCC(c2ccccc2)=N1 ZINC000826418616 607864879 /nfs/dbraw/zinc/86/48/79/607864879.db2.gz ONCFISVQYHXBDH-UHFFFAOYSA-N -1 1 366.356 2.021 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCC(c2ccccc2)=N1 ZINC000826418616 607864880 /nfs/dbraw/zinc/86/48/80/607864880.db2.gz ONCFISVQYHXBDH-UHFFFAOYSA-N -1 1 366.356 2.021 20 0 FEADMM Cn1ccnc1[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC000826364361 607895625 /nfs/dbraw/zinc/89/56/25/607895625.db2.gz TUNRXWJYENNQCC-HNNXBMFYSA-N -1 1 350.361 2.336 20 0 FEADMM Cn1ccnc1[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000826364361 607895626 /nfs/dbraw/zinc/89/56/26/607895626.db2.gz TUNRXWJYENNQCC-HNNXBMFYSA-N -1 1 350.361 2.336 20 0 FEADMM CCCS(=O)(=O)Nc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825341669 607897519 /nfs/dbraw/zinc/89/75/19/607897519.db2.gz HIQZEPDPIJCHLD-UHFFFAOYSA-N -1 1 359.415 2.157 20 0 FEADMM CCCS(=O)(=O)Nc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825341669 607897520 /nfs/dbraw/zinc/89/75/20/607897520.db2.gz HIQZEPDPIJCHLD-UHFFFAOYSA-N -1 1 359.415 2.157 20 0 FEADMM CCN(CC1CCN(c2ccccn2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC000825415879 607900894 /nfs/dbraw/zinc/90/08/94/607900894.db2.gz FGEOZUXKMHVSOF-UHFFFAOYSA-N -1 1 364.457 2.400 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826454598 607996452 /nfs/dbraw/zinc/99/64/52/607996452.db2.gz CEJSLCJLKFMGLP-HNNXBMFYSA-N -1 1 368.372 2.319 20 0 FEADMM Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826343043 607997977 /nfs/dbraw/zinc/99/79/77/607997977.db2.gz JYAKJFHPXKLJRU-UHFFFAOYSA-N -1 1 363.337 2.183 20 0 FEADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492913 608101253 /nfs/dbraw/zinc/10/12/53/608101253.db2.gz KVNMRBVOUBFYBG-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492854 608101274 /nfs/dbraw/zinc/10/12/74/608101274.db2.gz IEPWAZLQUVFMJB-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM CC[C@H](C)n1ncc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C1CC1 ZINC000825081658 608106531 /nfs/dbraw/zinc/10/65/31/608106531.db2.gz LOGBCDGKOPKYAH-VIFPVBQESA-N -1 1 370.421 2.289 20 0 FEADMM CC[C@H](C)n1ncc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C1CC1 ZINC000825081658 608106532 /nfs/dbraw/zinc/10/65/32/608106532.db2.gz LOGBCDGKOPKYAH-VIFPVBQESA-N -1 1 370.421 2.289 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000826232866 608131271 /nfs/dbraw/zinc/13/12/71/608131271.db2.gz LOLKPNSCULHTHG-CYBMUJFWSA-N -1 1 372.473 2.411 20 0 FEADMM O=C(OCCCOc1cccc(-c2nn[nH]n2)c1)c1ccc([O-])cc1F ZINC000826463534 608321280 /nfs/dbraw/zinc/32/12/80/608321280.db2.gz JOZAOOBQEMVECP-UHFFFAOYSA-N -1 1 358.329 2.337 20 0 FEADMM COc1cc(-c2nn[nH]n2)ccc1COC(=O)c1c([O-])cc(F)cc1F ZINC000826172314 608350065 /nfs/dbraw/zinc/35/00/65/608350065.db2.gz YZQKCJYIZJAONH-UHFFFAOYSA-N -1 1 362.292 2.216 20 0 FEADMM Cn1cccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c1=O ZINC000826363234 608350276 /nfs/dbraw/zinc/35/02/76/608350276.db2.gz DCMQFYRNDKHPBB-UHFFFAOYSA-N -1 1 358.427 2.177 20 0 FEADMM CC[C@@H](CSC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825125337 608475082 /nfs/dbraw/zinc/47/50/82/608475082.db2.gz CCQYDJIRYGIITC-NSHDSACASA-N -1 1 360.443 2.430 20 0 FEADMM CC[C@@H](CSC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825125337 608475084 /nfs/dbraw/zinc/47/50/84/608475084.db2.gz CCQYDJIRYGIITC-NSHDSACASA-N -1 1 360.443 2.430 20 0 FEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010715 608553560 /nfs/dbraw/zinc/55/35/60/608553560.db2.gz PDTAUXNJMBFPQE-XJKSGUPXSA-N -1 1 369.816 2.299 20 0 FEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010715 608553563 /nfs/dbraw/zinc/55/35/63/608553563.db2.gz PDTAUXNJMBFPQE-XJKSGUPXSA-N -1 1 369.816 2.299 20 0 FEADMM C[C@H](O)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000820481009 608580622 /nfs/dbraw/zinc/58/06/22/608580622.db2.gz RMCNLULEWDXNQR-JTQLQIEISA-N -1 1 373.800 2.423 20 0 FEADMM COc1cc(-c2nn[nH]n2)ccc1OCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000826176674 609182257 /nfs/dbraw/zinc/18/22/57/609182257.db2.gz YWWRINKQIJPCDW-UHFFFAOYSA-N -1 1 374.426 2.159 20 0 FEADMM O=C(CCc1ccco1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409205 609289740 /nfs/dbraw/zinc/28/97/40/609289740.db2.gz NAKULBKENBACTK-UHFFFAOYSA-N -1 1 367.344 2.356 20 0 FEADMM CCc1nn(C)cc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825763156 609319627 /nfs/dbraw/zinc/31/96/27/609319627.db2.gz QHESPULUUIJPDO-UHFFFAOYSA-N -1 1 367.392 2.100 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CC=CCC1 ZINC000826458051 609357185 /nfs/dbraw/zinc/35/71/85/609357185.db2.gz APGYUSHCAWLMHX-LLVKDONJSA-N -1 1 368.376 2.422 20 0 FEADMM CC[C@@H](C)N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825066663 609357763 /nfs/dbraw/zinc/35/77/63/609357763.db2.gz CYJMCSOSQGKCQW-SNVBAGLBSA-N -1 1 358.381 2.454 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1CCCC1 ZINC000826458274 609359696 /nfs/dbraw/zinc/35/96/96/609359696.db2.gz KBAKZRRJVMPONE-UHFFFAOYSA-N -1 1 356.365 2.256 20 0 FEADMM Brc1ccc(Cn2ccnc2-c2nnn[n-]2)c2ncccc12 ZINC000823826845 609489042 /nfs/dbraw/zinc/48/90/42/609489042.db2.gz PRKIUHZARCUZCJ-UHFFFAOYSA-N -1 1 356.187 2.422 20 0 FEADMM Brc1ccc(Cn2ccnc2-c2nn[n-]n2)c2ncccc12 ZINC000823826845 609489044 /nfs/dbraw/zinc/48/90/44/609489044.db2.gz PRKIUHZARCUZCJ-UHFFFAOYSA-N -1 1 356.187 2.422 20 0 FEADMM O=C([O-])C[C@H](CNS(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000560416790 674585403 /nfs/dbraw/zinc/58/54/03/674585403.db2.gz MFJSDDNPNUELAM-ZCFIWIBFSA-N -1 1 363.716 2.411 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC2(F)F)C1)C(F)(F)F ZINC000811918435 674639330 /nfs/dbraw/zinc/63/93/30/674639330.db2.gz SIDIFEGSEQQEEX-VHSXEESVSA-N -1 1 357.323 2.274 20 0 FEADMM C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811857849 674634107 /nfs/dbraw/zinc/63/41/07/674634107.db2.gz OAWTYLDUKSDHAS-VXGBXAGGSA-N -1 1 361.364 2.311 20 0 FEADMM Cc1ncsc1CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811874962 674634683 /nfs/dbraw/zinc/63/46/83/674634683.db2.gz IUBYBLCUWNBTEI-JTQLQIEISA-N -1 1 364.393 2.052 20 0 FEADMM COC(=O)c1nsc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)n1 ZINC000813369675 674738844 /nfs/dbraw/zinc/73/88/44/674738844.db2.gz QEVAGGFSHWNFEV-UHFFFAOYSA-N -1 1 351.146 2.418 20 0 FEADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(Cc2cccs2)CCCCC1 ZINC000813445527 674746028 /nfs/dbraw/zinc/74/60/28/674746028.db2.gz ZHJNUMZAROAXQK-AWEZNQCLSA-N -1 1 361.471 2.354 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000813454108 674746942 /nfs/dbraw/zinc/74/69/42/674746942.db2.gz LFRUMGNYPVYCPK-MRXNPFEDSA-N -1 1 360.801 2.055 20 0 FEADMM Cn1nccc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000562733116 674797508 /nfs/dbraw/zinc/79/75/08/674797508.db2.gz PAKUSVFTGVCSJL-SKDRFNHKSA-N -1 1 361.876 2.334 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)o1 ZINC000562920021 674822490 /nfs/dbraw/zinc/82/24/90/674822490.db2.gz JUUHKLXXVGGCHN-UHFFFAOYSA-N -1 1 359.350 2.256 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)N2CCC(c3cn[nH]c3C)CC2)s[n-]1 ZINC000564371990 675003993 /nfs/dbraw/zinc/00/39/93/675003993.db2.gz OXBYSPJULICSSQ-SNVBAGLBSA-N -1 1 350.448 2.110 20 0 FEADMM CC[C@](O)(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1cccc(Cl)c1 ZINC000816498856 675060249 /nfs/dbraw/zinc/06/02/49/675060249.db2.gz RKIZNUFEWDWJIR-PIGZYNQJSA-N -1 1 365.817 2.432 20 0 FEADMM CCC(Nc1ccccc1N1CCCCC1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009780596 669984772 /nfs/dbraw/zinc/98/47/72/669984772.db2.gz DTASMSUVZMIAND-UHFFFAOYSA-N -1 1 358.467 2.284 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccncc2)cc1 ZINC000017168506 670023456 /nfs/dbraw/zinc/02/34/56/670023456.db2.gz JQKJXIHFUULUMD-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM C[C@H](Cc1ccco1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000025301195 670061421 /nfs/dbraw/zinc/06/14/21/670061421.db2.gz JQORTLBCEGBTSC-LLVKDONJSA-N -1 1 354.428 2.310 20 0 FEADMM COc1ccc(NC(=O)c2cc(Cl)cn2C)cc1[N-]S(C)(=O)=O ZINC000029924226 670105420 /nfs/dbraw/zinc/10/54/20/670105420.db2.gz OIKGJNYUFMENMJ-UHFFFAOYSA-N -1 1 357.819 2.311 20 0 FEADMM O=C(/C=C/c1ccccc1Cl)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000039587598 670141524 /nfs/dbraw/zinc/14/15/24/670141524.db2.gz PYZUPYLFYKSARH-BQYQJAHWSA-N -1 1 364.810 2.419 20 0 FEADMM CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CC(C)C ZINC000042167673 670158566 /nfs/dbraw/zinc/15/85/66/670158566.db2.gz BETRFLOZSPYPRX-LBPRGKRZSA-N -1 1 364.414 2.404 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCC(=O)c2ccccc2)o1 ZINC000046315666 670220485 /nfs/dbraw/zinc/22/04/85/670220485.db2.gz GJIFACTVJLJYGN-UHFFFAOYSA-N -1 1 351.380 2.008 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(NC(=O)N[N-]C(=O)c2cccs2)CC1 ZINC000046902198 670231789 /nfs/dbraw/zinc/23/17/89/670231789.db2.gz NEQLTZSZNDDYPS-UHFFFAOYSA-N -1 1 368.459 2.092 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)N[C@@H](C)CC ZINC000052171927 670309934 /nfs/dbraw/zinc/30/99/34/670309934.db2.gz JSINKACXZCNBOS-QWHCGFSZSA-N -1 1 370.471 2.298 20 0 FEADMM COc1ccc(NC(=O)COC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000052281047 670311325 /nfs/dbraw/zinc/31/13/25/670311325.db2.gz OHLNIPAECOEHIN-UHFFFAOYSA-N -1 1 356.444 2.355 20 0 FEADMM CCCCC[C@H](C)NC(CC)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000054503389 670337792 /nfs/dbraw/zinc/33/77/92/670337792.db2.gz QNZIXRHDFYOYJE-JOLOJFPGSA-N -1 1 355.504 2.099 20 0 FEADMM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000057023923 670365237 /nfs/dbraw/zinc/36/52/37/670365237.db2.gz DGFNRBBMLPMCRK-LBPRGKRZSA-N -1 1 357.863 2.436 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000057381011 670368456 /nfs/dbraw/zinc/36/84/56/670368456.db2.gz IWRYQWRZDYEPNW-UHFFFAOYSA-N -1 1 362.407 2.008 20 0 FEADMM CC(C)c1c(C(=O)NCc2n[n-]c(=S)n2C)cnn1-c1ccccn1 ZINC000066626296 670445134 /nfs/dbraw/zinc/44/51/34/670445134.db2.gz JNVLNZZWHNUXIH-UHFFFAOYSA-N -1 1 357.443 2.112 20 0 FEADMM CC(=O)NCc1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)s1 ZINC000066639035 670445781 /nfs/dbraw/zinc/44/57/81/670445781.db2.gz XZEQTFZFORQGCM-UHFFFAOYSA-N -1 1 353.473 2.149 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000066638201 670445815 /nfs/dbraw/zinc/44/58/15/670445815.db2.gz BAOKWBANXXBVOO-UHFFFAOYSA-N -1 1 364.343 2.022 20 0 FEADMM CCCC(=O)N1CCCC[C@@H]1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067073558 670452417 /nfs/dbraw/zinc/45/24/17/670452417.db2.gz LAJFOMAKCSKESF-CYBMUJFWSA-N -1 1 367.519 2.361 20 0 FEADMM CC(C)n1c(CCNC(=O)CCNC(=O)C2CCCCC2)n[n-]c1=S ZINC000067074568 670452517 /nfs/dbraw/zinc/45/25/17/670452517.db2.gz XJNIVXKTLOJPFG-UHFFFAOYSA-N -1 1 367.519 2.267 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1F ZINC000067244189 670456003 /nfs/dbraw/zinc/45/60/03/670456003.db2.gz RRPQYHREQAYABZ-UHFFFAOYSA-N -1 1 360.750 2.138 20 0 FEADMM CC(=O)N[C@@H](C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)C(C)C ZINC000068446749 670471279 /nfs/dbraw/zinc/47/12/79/670471279.db2.gz MNJXEKQKXBUKQS-CQSZACIVSA-N -1 1 367.519 2.388 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)c1 ZINC000069369639 670484306 /nfs/dbraw/zinc/48/43/06/670484306.db2.gz FHOBIXSGMZVXJR-UHFFFAOYSA-N -1 1 359.363 2.043 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)CCSCc1ccccn1 ZINC000073997957 670512311 /nfs/dbraw/zinc/51/23/11/670512311.db2.gz RNGCQGSYJMTBIU-UHFFFAOYSA-N -1 1 351.501 2.338 20 0 FEADMM CC(C)C[C@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)C(=O)[O-] ZINC000569139695 670516148 /nfs/dbraw/zinc/51/61/48/670516148.db2.gz RGWFJWRKXMHGQP-BZNIZROVSA-N -1 1 371.275 2.486 20 0 FEADMM CCc1nnc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)o1 ZINC000817290316 675117904 /nfs/dbraw/zinc/11/79/04/675117904.db2.gz GOFRXUUCSBVFJA-LLVKDONJSA-N -1 1 354.332 2.242 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1ccnc1)c1cc(F)ccc1F ZINC000078387637 670586015 /nfs/dbraw/zinc/58/60/15/670586015.db2.gz PFWMOSZESDDBDD-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1nc2ccccc2[nH]1 ZINC000079618222 670608424 /nfs/dbraw/zinc/60/84/24/670608424.db2.gz ZYIGHRAEESNWTB-MRCXROJRSA-N -1 1 359.455 2.113 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000080494964 670626274 /nfs/dbraw/zinc/62/62/74/670626274.db2.gz LDDYQTKWCIUCKK-UHFFFAOYSA-N -1 1 364.496 2.232 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000569945199 670638371 /nfs/dbraw/zinc/63/83/71/670638371.db2.gz KDZIHFWPCRGZJP-UHFFFAOYSA-N -1 1 355.753 2.353 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cc1F ZINC000570145287 670667950 /nfs/dbraw/zinc/66/79/50/670667950.db2.gz CIVKNGOWZBYSIH-UHFFFAOYSA-N -1 1 362.285 2.321 20 0 FEADMM O=S(=O)([N-]C1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 ZINC000084936662 670678029 /nfs/dbraw/zinc/67/80/29/670678029.db2.gz YXQRQYVQQQNGDM-UHFFFAOYSA-N -1 1 358.423 2.170 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)s1 ZINC000088359834 670690659 /nfs/dbraw/zinc/69/06/59/670690659.db2.gz XVCBKEHNZNOYKK-ZBFHGGJFSA-N -1 1 357.410 2.378 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)c1O ZINC000570600670 670737765 /nfs/dbraw/zinc/73/77/65/670737765.db2.gz XSKHLFQOBAALOW-UHFFFAOYSA-N -1 1 369.464 2.354 20 0 FEADMM O=C(NC[C@@H](CO)c1cccnc1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000570597699 670738021 /nfs/dbraw/zinc/73/80/21/670738021.db2.gz XMCDSTJSDYRZHB-LBPRGKRZSA-N -1 1 357.797 2.495 20 0 FEADMM O=C(C[C@@H]1CCCO1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493229 675138835 /nfs/dbraw/zinc/13/88/35/675138835.db2.gz RNZOITGMRSZWEH-STQMWFEESA-N -1 1 356.344 2.192 20 0 FEADMM CC[C@H](C)C[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OC ZINC000571211839 670836275 /nfs/dbraw/zinc/83/62/75/670836275.db2.gz KAGIDWFIGOJYOM-GWCFXTLKSA-N -1 1 369.487 2.239 20 0 FEADMM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(CCOC(C)C)CC3)c12 ZINC000571884516 670936587 /nfs/dbraw/zinc/93/65/87/670936587.db2.gz RLKVWPDYILXOIG-UHFFFAOYSA-N -1 1 364.471 2.245 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000573811621 671167952 /nfs/dbraw/zinc/16/79/52/671167952.db2.gz UHBHKBQSEYIANW-SNVBAGLBSA-N -1 1 364.789 2.407 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H]2CCC(C)(C)O2)n[n-]1 ZINC000576712147 671389130 /nfs/dbraw/zinc/38/91/30/671389130.db2.gz DDAUUMYXRKYGHW-VXGBXAGGSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H]2CCC(C)(C)O2)[n-]1 ZINC000576712147 671389134 /nfs/dbraw/zinc/38/91/34/671389134.db2.gz DDAUUMYXRKYGHW-VXGBXAGGSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H]2CCC(C)(C)O2)n1 ZINC000576712147 671389137 /nfs/dbraw/zinc/38/91/37/671389137.db2.gz DDAUUMYXRKYGHW-VXGBXAGGSA-N -1 1 352.435 2.142 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C(=O)OC ZINC000609196945 675913978 /nfs/dbraw/zinc/91/39/78/675913978.db2.gz WJCXSPJLEQTHCD-MRXNPFEDSA-N -1 1 352.412 2.103 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000577397443 671593619 /nfs/dbraw/zinc/59/36/19/671593619.db2.gz NEVXHXFIDGELLW-UHFFFAOYSA-N -1 1 371.846 2.453 20 0 FEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c1 ZINC000577676752 671612689 /nfs/dbraw/zinc/61/26/89/671612689.db2.gz QMYDLFXZMPBPMF-UHFFFAOYSA-N -1 1 362.455 2.040 20 0 FEADMM C[C@@H]1CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000577925046 671628711 /nfs/dbraw/zinc/62/87/11/671628711.db2.gz WBQQRACXJZDYLV-LDYMZIIASA-N -1 1 351.255 2.186 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000578072635 671638725 /nfs/dbraw/zinc/63/87/25/671638725.db2.gz JJDQAUUVQSSYPV-ZIAGYGMSSA-N -1 1 352.456 2.455 20 0 FEADMM O=C(C1CC1)N1CCC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000578962832 671701548 /nfs/dbraw/zinc/70/15/48/671701548.db2.gz GYOQKRWYTQNEME-UHFFFAOYSA-N -1 1 366.414 2.251 20 0 FEADMM Cn1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(-c2cccs2)n1 ZINC000580127012 671784232 /nfs/dbraw/zinc/78/42/32/671784232.db2.gz ZUIKXVNXQGZOPU-SNVBAGLBSA-N -1 1 359.411 2.257 20 0 FEADMM C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000580279612 671794348 /nfs/dbraw/zinc/79/43/48/671794348.db2.gz BKABDMMNTRKFRW-NHYWBVRUSA-N -1 1 360.845 2.444 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000119307725 671896355 /nfs/dbraw/zinc/89/63/55/671896355.db2.gz JBIYICDAONPMHE-UHFFFAOYSA-N -1 1 367.192 2.432 20 0 FEADMM CC(C)(CO)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000119568299 671902609 /nfs/dbraw/zinc/90/26/09/671902609.db2.gz AJBWEHFRXVINOY-UHFFFAOYSA-N -1 1 362.451 2.236 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCc3nc(C)sc32)o1 ZINC000120206892 671919726 /nfs/dbraw/zinc/91/97/26/671919726.db2.gz PRMXREXXQAXMTN-JTQLQIEISA-N -1 1 356.425 2.187 20 0 FEADMM CC[C@H]1CN(c2cc(C(C)(C)C)nc(C(=O)[O-])n2)CCN1CCOC ZINC000582065424 671964675 /nfs/dbraw/zinc/96/46/75/671964675.db2.gz MHNNVHKNJHEEOE-ZDUSSCGKSA-N -1 1 350.463 2.019 20 0 FEADMM C[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)[C@H](C)CO ZINC000583595757 672110025 /nfs/dbraw/zinc/11/00/25/672110025.db2.gz GSGFLZVERQRAKQ-RKDXNWHRSA-N -1 1 353.216 2.450 20 0 FEADMM COc1ccc(NCC(=O)N[N-]C(=O)c2cc(Cl)ccc2F)cc1 ZINC000140949642 672148609 /nfs/dbraw/zinc/14/86/09/672148609.db2.gz VHHSEIWJOXXZIS-UHFFFAOYSA-N -1 1 351.765 2.361 20 0 FEADMM COc1cc(NC(=O)NCCSC(C)C)ccc1[N-]S(C)(=O)=O ZINC000584190728 672164709 /nfs/dbraw/zinc/16/47/09/672164709.db2.gz VCOTXALVEMXAQA-UHFFFAOYSA-N -1 1 361.489 2.330 20 0 FEADMM O=C(Cc1cccc(I)c1)[N-]O[C@@H]1CCCCO1 ZINC000151872951 672171159 /nfs/dbraw/zinc/17/11/59/672171159.db2.gz NFHFVSCWQYNJOF-CYBMUJFWSA-N -1 1 361.179 2.408 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000584589044 672202662 /nfs/dbraw/zinc/20/26/62/672202662.db2.gz UKRXYUSGWFWQFT-KCXAZCMYSA-N -1 1 351.422 2.181 20 0 FEADMM O=C(CCNC(=O)c1ncccc1[O-])Nc1ccc(Br)cc1 ZINC000586753397 672240269 /nfs/dbraw/zinc/24/02/69/672240269.db2.gz GPEGEQAVMBNGLV-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1Cc2ccccc2C(=O)O1 ZINC000156335899 672245093 /nfs/dbraw/zinc/24/50/93/672245093.db2.gz IKPAKPVMPIJZFK-NSHDSACASA-N -1 1 363.167 2.270 20 0 FEADMM C[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000156334642 672245229 /nfs/dbraw/zinc/24/52/29/672245229.db2.gz PENDNCDHPUPRAS-ZETCQYMHSA-N -1 1 370.228 2.368 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccnc(-n2ccnc2)c1 ZINC000156383909 672245778 /nfs/dbraw/zinc/24/57/78/672245778.db2.gz JQADIGNTRVBRLY-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1n[nH]c(=O)c2ccccc21 ZINC000156388156 672245883 /nfs/dbraw/zinc/24/58/83/672245883.db2.gz DXWMGIHCJQRXDA-UHFFFAOYSA-N -1 1 361.155 2.039 20 0 FEADMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000160825544 672293795 /nfs/dbraw/zinc/29/37/95/672293795.db2.gz LEVOSPZQTVIIMB-UHFFFAOYSA-N -1 1 370.318 2.334 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCC1 ZINC000170659082 672323657 /nfs/dbraw/zinc/32/36/57/672323657.db2.gz WIKDJJJUEDNYJL-UHFFFAOYSA-N -1 1 353.227 2.153 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OC1CCCC1 ZINC000177532358 672383524 /nfs/dbraw/zinc/38/35/24/672383524.db2.gz NHHBOXBYLWFDOQ-QMMMGPOBSA-N -1 1 351.346 2.257 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H](C)Sc3ccccc3Cl)nc2n1 ZINC000588006775 672444690 /nfs/dbraw/zinc/44/46/90/672444690.db2.gz VCRRJHCHAAJAJM-VIFPVBQESA-N -1 1 363.830 2.499 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](OC)c2ccccc2Cl)c1 ZINC000611083115 676015658 /nfs/dbraw/zinc/01/56/58/676015658.db2.gz RVPGBVFLQUIQNU-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM CC(C)Oc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000679113636 672467003 /nfs/dbraw/zinc/46/70/03/672467003.db2.gz DNDGLTQXBVKNTN-UHFFFAOYSA-N -1 1 350.396 2.079 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(NC(C)=O)c2)c(F)c1 ZINC000588678194 672470966 /nfs/dbraw/zinc/47/09/66/672470966.db2.gz LARYJVQMDYTNAD-UHFFFAOYSA-N -1 1 370.377 2.410 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1 ZINC000588888440 672488742 /nfs/dbraw/zinc/48/87/42/672488742.db2.gz ODCYTJKLJKWMIJ-CYBMUJFWSA-N -1 1 361.460 2.112 20 0 FEADMM O=C([N-]NC(=O)Nc1cccnc1)c1cc(F)ccc1Br ZINC000184098225 672489855 /nfs/dbraw/zinc/48/98/55/672489855.db2.gz ATMLPGKPAUAOHK-UHFFFAOYSA-N -1 1 353.151 2.450 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906323 672492378 /nfs/dbraw/zinc/49/23/78/672492378.db2.gz ZXLSDLQYYWPBLD-UHFFFAOYSA-N -1 1 351.371 2.485 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)C=Cc1ccc(Cl)s1 ZINC000185028328 672516764 /nfs/dbraw/zinc/51/67/64/672516764.db2.gz CFNWEPXPEGTWPG-HWKANZROSA-N -1 1 364.814 2.240 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c1 ZINC000589434770 672525361 /nfs/dbraw/zinc/52/53/61/672525361.db2.gz VLLPSLTVGBIUIK-UHFFFAOYSA-N -1 1 355.437 2.041 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000611332566 676032513 /nfs/dbraw/zinc/03/25/13/676032513.db2.gz BROISXIBJNOOHJ-NSHDSACASA-N -1 1 367.471 2.264 20 0 FEADMM Cn1ncc(I)c1C(=O)Nc1c([O-])cccc1F ZINC000590317782 672572421 /nfs/dbraw/zinc/57/24/21/672572421.db2.gz HJELAOZLCVMTSB-UHFFFAOYSA-N -1 1 361.114 2.122 20 0 FEADMM C[C@@H](CO)CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000680641622 672595333 /nfs/dbraw/zinc/59/53/33/672595333.db2.gz MOTBPJSOCGPEBX-CYBMUJFWSA-N -1 1 363.439 2.237 20 0 FEADMM O=C(NCc1ccccc1)NNC(=O)c1ccc(Br)cc1[O-] ZINC000189104793 672607383 /nfs/dbraw/zinc/60/73/83/672607383.db2.gz YIUFSNIOMKPSBX-UHFFFAOYSA-N -1 1 364.199 2.299 20 0 FEADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([O-])c(F)c1 ZINC000681016125 672621569 /nfs/dbraw/zinc/62/15/69/672621569.db2.gz OXWLZTFVBSGDFX-AWEZNQCLSA-N -1 1 350.415 2.396 20 0 FEADMM Cn1nc(C(=O)Nc2nc(Br)ccc2[O-])cc1OC(F)F ZINC000189978907 672628524 /nfs/dbraw/zinc/62/85/24/672628524.db2.gz YPRZUHWTIRKEAS-UHFFFAOYSA-N -1 1 363.118 2.137 20 0 FEADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000681090286 672628419 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20 0 FEADMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000753520321 680302102 /nfs/dbraw/zinc/30/21/02/680302102.db2.gz GFZPRHIHUPOHPY-UHFFFAOYSA-N -1 1 363.391 2.322 20 0 FEADMM CCOc1ccccc1C(F)(F)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000753600358 680306160 /nfs/dbraw/zinc/30/61/60/680306160.db2.gz LZWTUDWAQIPACI-UHFFFAOYSA-N -1 1 351.357 2.276 20 0 FEADMM CC[C@H](SC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983723947 680324832 /nfs/dbraw/zinc/32/48/32/680324832.db2.gz SEJCOADROFAKGD-IPYPFGDCSA-N -1 1 365.499 2.286 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(-c3cccs3)o2)co1 ZINC000756399287 680476356 /nfs/dbraw/zinc/47/63/56/680476356.db2.gz ALZAKOPUVLDOPA-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCCOc2ccc(Cl)cc2)co1 ZINC000756404972 680477040 /nfs/dbraw/zinc/47/70/40/680477040.db2.gz OJWRZLVNTCGNJL-UHFFFAOYSA-N -1 1 373.814 2.467 20 0 FEADMM CC[C@@](C)(CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)OC ZINC000836580395 680485672 /nfs/dbraw/zinc/48/56/72/680485672.db2.gz VCTDPYZFYQZRIV-ASHKBJFXSA-N -1 1 367.412 2.289 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C)COc2ccccc2)co1 ZINC000756573286 680486440 /nfs/dbraw/zinc/48/64/40/680486440.db2.gz OLXHCCJUOCPLNH-LBPRGKRZSA-N -1 1 353.396 2.060 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1sccc1F ZINC001002400926 680494834 /nfs/dbraw/zinc/49/48/34/680494834.db2.gz FSMZJPJQCMOLMM-JLLWLGSASA-N -1 1 361.398 2.163 20 0 FEADMM COC(=O)[C@]1([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCSC1 ZINC000758426695 680578588 /nfs/dbraw/zinc/57/85/88/680578588.db2.gz SQNVSKSLNBOXGH-MRZGDXHCSA-N -1 1 361.872 2.279 20 0 FEADMM O=C([N-][C@]12CCC[C@H]1CN(C(=O)c1ccc(F)c(F)c1F)C2)C(F)F ZINC001006829971 680614267 /nfs/dbraw/zinc/61/42/67/680614267.db2.gz SOOQJCVYQGSXFB-PWJLMRLQSA-N -1 1 362.298 2.480 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc(C(=O)[O-])c1Cl ZINC000759103109 680627256 /nfs/dbraw/zinc/62/72/56/680627256.db2.gz RXUAGWQNLFFZME-UHFFFAOYSA-N -1 1 366.786 2.419 20 0 FEADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)[C@@H]1COCC12OCCO2 ZINC000837992393 680666822 /nfs/dbraw/zinc/66/68/22/680666822.db2.gz XSLMOVAQOKDREE-ZDUSSCGKSA-N -1 1 355.818 2.191 20 0 FEADMM CC[C@H](CC(F)(F)F)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000838123713 680674318 /nfs/dbraw/zinc/67/43/18/680674318.db2.gz ONNIFRMQUYIIKK-SNVBAGLBSA-N -1 1 361.316 2.473 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000766093722 680866630 /nfs/dbraw/zinc/86/66/30/680866630.db2.gz GRHPMRYPHDQLKX-UHFFFAOYSA-N -1 1 371.361 2.278 20 0 FEADMM CO[C@@H](CC(C)C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000841234857 680870389 /nfs/dbraw/zinc/87/03/89/680870389.db2.gz NBDACEXFKASMJH-CYDGBPFRSA-N -1 1 352.397 2.352 20 0 FEADMM COCc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000766583229 680882225 /nfs/dbraw/zinc/88/22/25/680882225.db2.gz FNJXLNAFYQNWIG-UHFFFAOYSA-N -1 1 350.396 2.298 20 0 FEADMM COCc1ccc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1 ZINC000766581771 680882253 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C[C@H](Cc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017152 680982478 /nfs/dbraw/zinc/98/24/78/680982478.db2.gz ZKNFCCCDJVDMSQ-CYBMUJFWSA-N -1 1 372.918 2.449 20 0 FEADMM CS[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccccc1 ZINC000843017538 680982620 /nfs/dbraw/zinc/98/26/20/680982620.db2.gz DPVPHCHCJXXOTN-CQSZACIVSA-N -1 1 356.513 2.021 20 0 FEADMM Cn1[n-]c(COC(=O)c2cc(Cl)cc(Br)c2F)nc1=O ZINC000769517298 680985482 /nfs/dbraw/zinc/98/54/82/680985482.db2.gz XFPQBCMRFLGSBT-UHFFFAOYSA-N -1 1 364.558 2.020 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-]CCC2=CCCC2)c(=O)[nH]c1=O ZINC000769667168 680990848 /nfs/dbraw/zinc/99/08/48/680990848.db2.gz PDZRYLYPMLTVSI-UHFFFAOYSA-N -1 1 369.487 2.308 20 0 FEADMM COC(=O)[C@H](C)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769749762 680993842 /nfs/dbraw/zinc/99/38/42/680993842.db2.gz VAYWPIWPLVUXAU-SNVBAGLBSA-N -1 1 352.387 2.278 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cc(C)ns3)CC2)n1 ZINC000770538725 681019573 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O=C([C@@H](O)c1ccc(Cl)cc1F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847089683 681331349 /nfs/dbraw/zinc/33/13/49/681331349.db2.gz GJHJAHGAIAFIRJ-PELKAZGASA-N -1 1 355.753 2.007 20 0 FEADMM CN(CCc1cccs1)C(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000933106975 681362777 /nfs/dbraw/zinc/36/27/77/681362777.db2.gz LGJXIBQDHWKSCV-UHFFFAOYSA-N -1 1 368.405 2.092 20 0 FEADMM CCSCC[C@H](C)N(C)C(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000933108043 681363124 /nfs/dbraw/zinc/36/31/24/681363124.db2.gz RZAMOAVMTUDZML-NSHDSACASA-N -1 1 374.453 2.319 20 0 FEADMM C[C@@H]1Cc2cc(NC(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)ccc2O1 ZINC000933136679 681368753 /nfs/dbraw/zinc/36/87/53/681368753.db2.gz CGENZFXHZALWCF-SECBINFHSA-N -1 1 357.332 2.152 20 0 FEADMM O=C(CSc1ccccc1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562143 681406111 /nfs/dbraw/zinc/40/61/11/681406111.db2.gz BTCPRQGZMNSTTM-JTQLQIEISA-N -1 1 355.876 2.262 20 0 FEADMM O=C(C=Cc1nc2ccccc2s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562881 681406132 /nfs/dbraw/zinc/40/61/32/681406132.db2.gz 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C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472800 691492705 /nfs/dbraw/zinc/49/27/05/691492705.db2.gz CVSYIVJDJHBBQR-ZWNOBZJWSA-N -1 1 351.863 2.348 20 0 FEADMM Cc1nc(C2CCC2)sc1CC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472996 691492870 /nfs/dbraw/zinc/49/28/70/691492870.db2.gz ASWKKUYMKGLUEP-LLVKDONJSA-N -1 1 364.500 2.091 20 0 FEADMM Cc1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)nn1C1CCCCC1 ZINC000907476376 691495066 /nfs/dbraw/zinc/49/50/66/691495066.db2.gz CKCXQIKAQAYUHT-CQSZACIVSA-N -1 1 361.475 2.140 20 0 FEADMM COc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)ccc1C(F)(F)F ZINC000907479264 691496170 /nfs/dbraw/zinc/49/61/70/691496170.db2.gz AOCZCUQNOXUFRG-JTQLQIEISA-N -1 1 373.360 2.157 20 0 FEADMM O=C(c1ccc(SC(F)(F)F)o1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479465 691497153 /nfs/dbraw/zinc/49/71/53/691497153.db2.gz DYZYWVJQCZPCPL-ZCFIWIBFSA-N -1 1 365.362 2.335 20 0 FEADMM C/C=C\COc1cccc(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000907479971 691497260 /nfs/dbraw/zinc/49/72/60/691497260.db2.gz 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COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OCC(N)=O ZINC000055606870 540664065 /nfs/dbraw/zinc/66/40/65/540664065.db2.gz BMWVGYVWMTZDHU-UHFFFAOYSA-N -1 1 370.814 2.014 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1 ZINC000055622047 540664286 /nfs/dbraw/zinc/66/42/86/540664286.db2.gz QHUXKQANLLJNGR-UHFFFAOYSA-N -1 1 362.451 2.333 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1 ZINC000055622004 540664551 /nfs/dbraw/zinc/66/45/51/540664551.db2.gz WUBHVTRGSDTMFU-UHFFFAOYSA-N -1 1 362.451 2.162 20 0 FEADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC000055674317 540669946 /nfs/dbraw/zinc/66/99/46/540669946.db2.gz SCCXKCTXAHPUTI-UHFFFAOYSA-N -1 1 374.422 2.232 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(C)C)c2)o1 ZINC000056435196 540725988 /nfs/dbraw/zinc/72/59/88/540725988.db2.gz PNOLNLDOCURUCC-UHFFFAOYSA-N -1 1 366.439 2.153 20 0 FEADMM O=C(Nc1nn[n-]n1)c1csc(-c2cc(Br)cs2)n1 ZINC000060380425 541109369 /nfs/dbraw/zinc/10/93/69/541109369.db2.gz 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FEADMM COc1ccc(COCCCNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000067013113 541406846 /nfs/dbraw/zinc/40/68/46/541406846.db2.gz WOTFJRVCUXXOKW-UHFFFAOYSA-N -1 1 367.405 2.268 20 0 FEADMM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051089 541410577 /nfs/dbraw/zinc/41/05/77/541410577.db2.gz XRIIOFJRVRWHFT-NSHDSACASA-N -1 1 371.507 2.076 20 0 FEADMM Cn1c(CCNC(=O)CCC(=O)c2ccc(Cl)cc2)n[n-]c1=S ZINC000067070144 541413022 /nfs/dbraw/zinc/41/30/22/541413022.db2.gz RWOPIMMAPLAQRF-UHFFFAOYSA-N -1 1 352.847 2.453 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cccnc2N2CCCC2)n[n-]c1=S ZINC000067074445 541414032 /nfs/dbraw/zinc/41/40/32/541414032.db2.gz QQFYYQTUDOCPTN-UHFFFAOYSA-N -1 1 360.487 2.489 20 0 FEADMM CCn1c(CCNC(=O)CCC(=O)c2ccc(OC)cc2)n[n-]c1=S ZINC000067075761 541414631 /nfs/dbraw/zinc/41/46/31/541414631.db2.gz GRZZPGZQMDAWPG-UHFFFAOYSA-N -1 1 362.455 2.291 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccnc1-2 ZINC000550790481 674110448 /nfs/dbraw/zinc/11/04/48/674110448.db2.gz 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O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cncc([O-])c1 ZINC000111584769 543407161 /nfs/dbraw/zinc/40/71/61/543407161.db2.gz CIGAKXPFVUQXRT-KRWDZBQOSA-N -1 1 361.829 2.244 20 0 FEADMM C[C@]12CC3CC(C(=O)Nc4nc(S(C)(=O)=O)n[n-]4)(C1)C[C@@](C)(C3)C2 ZINC000113421636 543487020 /nfs/dbraw/zinc/48/70/20/543487020.db2.gz KOYPLKANJYFHRO-LZNCCJSUSA-N -1 1 352.460 2.143 20 0 FEADMM C[C@]12CC3CC(C(=O)Nc4nnc(S(C)(=O)=O)[n-]4)(C1)C[C@@](C)(C3)C2 ZINC000113421636 543487022 /nfs/dbraw/zinc/48/70/22/543487022.db2.gz KOYPLKANJYFHRO-LZNCCJSUSA-N -1 1 352.460 2.143 20 0 FEADMM Cc1ccccc1C1(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000114413075 543513947 /nfs/dbraw/zinc/51/39/47/543513947.db2.gz WVDMHIQIVBSMLD-UHFFFAOYSA-N -1 1 350.422 2.296 20 0 FEADMM Cc1ccc(CSCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000114412700 543513963 /nfs/dbraw/zinc/51/39/63/543513963.db2.gz FHXZRKRAZXIBJH-UHFFFAOYSA-N -1 1 370.478 2.497 20 0 FEADMM Cc1cc(O[C@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1C(C)C ZINC000116206311 543604337 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Cc1ccc(-c2noc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)n2)cc1F ZINC000127135235 543974556 /nfs/dbraw/zinc/97/45/56/543974556.db2.gz KEAFKULQLPQOHN-UHFFFAOYSA-N -1 1 363.374 2.154 20 0 FEADMM O=C(NCCn1cnnc1C1CC1)c1cc(Br)ccc1[O-] ZINC000126538822 543942356 /nfs/dbraw/zinc/94/23/56/543942356.db2.gz CDCBMLIDNVKLEB-UHFFFAOYSA-N -1 1 351.204 2.054 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C4CCCC4)n[nH]3)cc12 ZINC000126843896 543959569 /nfs/dbraw/zinc/95/95/69/543959569.db2.gz JACLNLLEJXIBRR-UHFFFAOYSA-N -1 1 360.443 2.458 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cs2)o1 ZINC000129296227 544103740 /nfs/dbraw/zinc/10/37/40/544103740.db2.gz GAYQORADGBHXJG-LLVKDONJSA-N -1 1 358.427 2.173 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000129497964 544115538 /nfs/dbraw/zinc/11/55/38/544115538.db2.gz FNAYPFIKQJJKBJ-LBPRGKRZSA-N -1 1 351.399 2.432 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129508795 544116249 /nfs/dbraw/zinc/11/62/49/544116249.db2.gz CXBIGGACYWBIMK-NXEZZACHSA-N -1 1 353.785 2.166 20 0 FEADMM O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000130041570 544136701 /nfs/dbraw/zinc/13/67/01/544136701.db2.gz JPOQRPWHIOANTN-LBPRGKRZSA-N -1 1 353.216 2.038 20 0 FEADMM C[C@@H]1CN(c2ccc(CNC(=O)c3c([O-])cccc3F)cn2)C[C@@H](C)O1 ZINC000130470248 544152534 /nfs/dbraw/zinc/15/25/34/544152534.db2.gz RDBBXLYAMKTRBI-CHWSQXEVSA-N -1 1 359.401 2.470 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(O)cc(F)c3)ccc21 ZINC000131402802 544188985 /nfs/dbraw/zinc/18/89/85/544188985.db2.gz WAXPEFTZNLNEJV-UHFFFAOYSA-N -1 1 350.371 2.241 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1c(F)cccc1Cl)Nc1cccnc1 ZINC000131526492 544193956 /nfs/dbraw/zinc/19/39/56/544193956.db2.gz ADIZBIORERGMAU-UHFFFAOYSA-N -1 1 357.794 2.181 20 0 FEADMM O=c1c([N-]S(=O)(=O)c2ccc(F)cc2F)cccn1CC(F)(F)F ZINC000132821978 544244813 /nfs/dbraw/zinc/24/48/13/544244813.db2.gz SOQMEIKHJHLUFQ-UHFFFAOYSA-N -1 1 368.283 2.490 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)c[nH]c1=O ZINC000133661460 544278985 /nfs/dbraw/zinc/27/89/85/544278985.db2.gz MUMKEMLMAVBDCP-UHFFFAOYSA-N -1 1 361.192 2.386 20 0 FEADMM COc1ccc(C[C@@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000134738678 544320335 /nfs/dbraw/zinc/32/03/35/544320335.db2.gz JJACOFGLCBWIGM-GFCCVEGCSA-N -1 1 368.437 2.143 20 0 FEADMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000136930003 544381252 /nfs/dbraw/zinc/38/12/52/544381252.db2.gz GYXBLCODOWDRDY-DLBZAZTESA-N -1 1 356.422 2.333 20 0 FEADMM CC(=O)NCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151048915 544499341 /nfs/dbraw/zinc/49/93/41/544499341.db2.gz NKPHTXWWMLRWOR-UHFFFAOYSA-N -1 1 358.769 2.163 20 0 FEADMM O=C(c1ccccn1)N1CC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000152198945 544624720 /nfs/dbraw/zinc/62/47/20/544624720.db2.gz DHTFEDMINDTQSM-AWEZNQCLSA-N -1 1 371.418 2.021 20 0 FEADMM O=C(CS(=O)(=O)c1ncn[n-]1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000153034778 544724877 /nfs/dbraw/zinc/72/48/77/544724877.db2.gz KLANYYXARXNMBQ-UHFFFAOYSA-N -1 1 369.617 2.177 20 0 FEADMM O=C(CS(=O)(=O)c1nc[n-]n1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000153034778 544724883 /nfs/dbraw/zinc/72/48/83/544724883.db2.gz KLANYYXARXNMBQ-UHFFFAOYSA-N -1 1 369.617 2.177 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000153220443 544748545 /nfs/dbraw/zinc/74/85/45/544748545.db2.gz NNTMVAMUPBSGDU-BXKDBHETSA-N -1 1 357.334 2.179 20 0 FEADMM CN(CCNC(=O)c1cc(Cl)ccc1[O-])S(=O)(=O)c1cccs1 ZINC000153504949 544783747 /nfs/dbraw/zinc/78/37/47/544783747.db2.gz DFEGLSMFZFNGHM-UHFFFAOYSA-N -1 1 374.871 2.158 20 0 FEADMM CCS[C@H](C)c1noc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)n1 ZINC000153690083 544809294 /nfs/dbraw/zinc/80/92/94/544809294.db2.gz CJCKBWOQOHNEAE-SNVBAGLBSA-N -1 1 373.438 2.392 20 0 FEADMM COc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc(Cl)c1[O-] ZINC000153551457 544790284 /nfs/dbraw/zinc/79/02/84/544790284.db2.gz ACTDJLMWFLDHBE-UHFFFAOYSA-N -1 1 354.834 2.385 20 0 FEADMM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000154097628 544863899 /nfs/dbraw/zinc/86/38/99/544863899.db2.gz IJAFKAYRIPOCPX-JQWIXIFHSA-N -1 1 355.232 2.319 20 0 FEADMM Cn1ccc2ccc(NC(=O)c3ccc4n[n-]c(=S)n4c3)cc2c1=O ZINC000803720423 674256008 /nfs/dbraw/zinc/25/60/08/674256008.db2.gz BEFNQJAWOHNPPQ-UHFFFAOYSA-N -1 1 351.391 2.122 20 0 FEADMM COc1cccc(CCC(=O)OCCC[N-]C(=O)C(F)(F)F)c1F ZINC000803729277 674257129 /nfs/dbraw/zinc/25/71/29/674257129.db2.gz KJSQZMOLVHSJMP-UHFFFAOYSA-N -1 1 351.296 2.379 20 0 FEADMM O=S(=O)([N-]C[C@]1(O)CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000178988624 327620192 /nfs/dbraw/zinc/62/01/92/327620192.db2.gz XOQCGTZUHXNGRK-LLVKDONJSA-N -1 1 360.646 2.077 20 0 FEADMM C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000181058127 327714290 /nfs/dbraw/zinc/71/42/90/327714290.db2.gz NXMZFSOSJZDMID-GDBMZVCRSA-N -1 1 374.462 2.330 20 0 FEADMM Cn1c(CNC(=O)c2cc(Br)ccc2[O-])nnc1C1CCC1 ZINC000184037387 327847810 /nfs/dbraw/zinc/84/78/10/327847810.db2.gz HEIUYYSNSHPXMG-UHFFFAOYSA-N -1 1 365.231 2.481 20 0 FEADMM COC(=O)Cn1ncc(NC(=O)c2cc(Br)ccc2[O-])c1C ZINC000187236421 328010242 /nfs/dbraw/zinc/01/02/42/328010242.db2.gz NEEDLGWUOANEHH-UHFFFAOYSA-N -1 1 368.187 2.085 20 0 FEADMM CS(=O)(=O)CCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000187448577 328026123 /nfs/dbraw/zinc/02/61/23/328026123.db2.gz WRDSHDBQBNCCFK-UHFFFAOYSA-N -1 1 364.261 2.099 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC)c1C ZINC000187570786 328033843 /nfs/dbraw/zinc/03/38/43/328033843.db2.gz JVKDRKDNVMXENS-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM CN1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCC1=O ZINC000187998951 328059464 /nfs/dbraw/zinc/05/94/64/328059464.db2.gz ZTDBYEHYWOPPKR-ZETCQYMHSA-N -1 1 355.218 2.032 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2cnc3c(c2)c(C)nn3C)[n-]c1=O ZINC000188022039 328060913 /nfs/dbraw/zinc/06/09/13/328060913.db2.gz MGIBLRSQRDYVMW-UXBLZVDNSA-N -1 1 353.382 2.097 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCCN(C)c2ccccc2)n1 ZINC000188083148 328064824 /nfs/dbraw/zinc/06/48/24/328064824.db2.gz RCVQKGQRIGJUKC-UHFFFAOYSA-N -1 1 360.483 2.067 20 0 FEADMM CO[C@H]1CC[C@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000188443146 328087259 /nfs/dbraw/zinc/08/72/59/328087259.db2.gz RSJRICNJXDFKGW-UWVGGRQHSA-N -1 1 361.179 2.294 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000188892160 328116234 /nfs/dbraw/zinc/11/62/34/328116234.db2.gz CGOOOTUHHGVFNV-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000188905290 328116917 /nfs/dbraw/zinc/11/69/17/328116917.db2.gz DBBYRHOHNIDUIR-UHFFFAOYSA-N -1 1 361.423 2.331 20 0 FEADMM CCc1c([N-]S(=O)(=O)CCOCCOC)cnn1-c1cccc(C)c1 ZINC000189459300 328149802 /nfs/dbraw/zinc/14/98/02/328149802.db2.gz MBNGWOWHNAUFLJ-UHFFFAOYSA-N -1 1 367.471 2.148 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1CO ZINC000189491834 328151475 /nfs/dbraw/zinc/15/14/75/328151475.db2.gz NKOYSIINGZYTSV-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000189810755 328169233 /nfs/dbraw/zinc/16/92/33/328169233.db2.gz NCQKWZSPJJUCRX-HNNXBMFYSA-N -1 1 355.232 2.286 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190430051 328207355 /nfs/dbraw/zinc/20/73/55/328207355.db2.gz OAELIPAZPXMHNV-OAHLLOKOSA-N -1 1 366.421 2.081 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)ccc1F ZINC000190766854 328231396 /nfs/dbraw/zinc/23/13/96/328231396.db2.gz CPFJFVYRWCEQCC-UHFFFAOYSA-N -1 1 352.343 2.080 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000191782514 328281409 /nfs/dbraw/zinc/28/14/09/328281409.db2.gz XBBRCSQPIYFURF-BQBZGAKWSA-N -1 1 351.329 2.311 20 0 FEADMM CCn1cc([C@H]2CN(C(=O)c3c([O-])cnc4ccccc43)CCO2)cn1 ZINC000191786977 328281831 /nfs/dbraw/zinc/28/18/31/328281831.db2.gz LKBFMNLKCQHXTF-QGZVFWFLSA-N -1 1 352.394 2.371 20 0 FEADMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191904526 328287991 /nfs/dbraw/zinc/28/79/91/328287991.db2.gz FPSDCBJONYZUCU-QMMMGPOBSA-N -1 1 369.245 2.422 20 0 FEADMM Cc1ccc(-c2cc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)n[nH]2)cc1 ZINC000192789981 328340066 /nfs/dbraw/zinc/34/00/66/328340066.db2.gz AFNMUWWBCPUPEA-UHFFFAOYSA-N -1 1 367.409 2.285 20 0 FEADMM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1c(F)c(F)cc(F)c1F ZINC000192892515 328345289 /nfs/dbraw/zinc/34/52/89/328345289.db2.gz OXDKEIPEUDTRFW-UHFFFAOYSA-N -1 1 352.353 2.148 20 0 FEADMM COC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000194145551 328412917 /nfs/dbraw/zinc/41/29/17/328412917.db2.gz BMBRLQKSOQDIGM-JGVFFNPUSA-N -1 1 368.274 2.131 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4cc[nH]n4)cc3)ccc2N1 ZINC000194296553 328418579 /nfs/dbraw/zinc/41/85/79/328418579.db2.gz UPOCTNNMBXDYOH-UHFFFAOYSA-N -1 1 354.391 2.372 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 ZINC000195450365 328477972 /nfs/dbraw/zinc/47/79/72/328477972.db2.gz HBMLGGDNHVOWNP-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM CSCCN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000230901101 328487562 /nfs/dbraw/zinc/48/75/62/328487562.db2.gz COAWLPDRSGSSGM-UHFFFAOYSA-N -1 1 351.209 2.432 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)cc(C)c1F ZINC000078235512 325036185 /nfs/dbraw/zinc/03/61/85/325036185.db2.gz ZZNCFWBRCGQTQH-UHFFFAOYSA-N -1 1 361.402 2.434 20 0 FEADMM O=C(CNC(=O)c1cc(F)ccc1[O-])Nc1ccc(-n2cccn2)cc1 ZINC000080023038 325114726 /nfs/dbraw/zinc/11/47/26/325114726.db2.gz KSIGTXGJKSGCDM-UHFFFAOYSA-N -1 1 354.341 2.086 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(CC)c(S(N)(=O)=O)c2)c1 ZINC000080939375 325149261 /nfs/dbraw/zinc/14/92/61/325149261.db2.gz PWGASFSJHILKPI-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000080937856 325149696 /nfs/dbraw/zinc/14/96/96/325149696.db2.gz BLGGONRSVSFYJE-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000081966772 325205227 /nfs/dbraw/zinc/20/52/27/325205227.db2.gz GTJUPXAYDJYFRZ-KRWDZBQOSA-N -1 1 362.376 2.474 20 0 FEADMM CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)N1CCOCC1 ZINC000084936285 325247343 /nfs/dbraw/zinc/24/73/43/325247343.db2.gz BTOVRWZBEQMWDT-INIZCTEOSA-N -1 1 366.483 2.458 20 0 FEADMM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000085634675 325257089 /nfs/dbraw/zinc/25/70/89/325257089.db2.gz JATLFYZBXBMOIF-NSHDSACASA-N -1 1 359.253 2.493 20 0 FEADMM CCOCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C)noc1C ZINC000088783516 325301798 /nfs/dbraw/zinc/30/17/98/325301798.db2.gz XVTYNLSBVKHRBZ-UHFFFAOYSA-N -1 1 368.455 2.494 20 0 FEADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000094138830 325453766 /nfs/dbraw/zinc/45/37/66/325453766.db2.gz KBHKMZRXVPOOPM-IUCAKERBSA-N -1 1 364.261 2.048 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000103059602 325504863 /nfs/dbraw/zinc/50/48/63/325504863.db2.gz YZLBJVCLRARUSQ-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(OC(F)F)cc1 ZINC000114412690 325890329 /nfs/dbraw/zinc/89/03/29/325890329.db2.gz NZVDUVQBHXPONS-UHFFFAOYSA-N -1 1 362.336 2.171 20 0 FEADMM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000116711302 326030559 /nfs/dbraw/zinc/03/05/59/326030559.db2.gz NQYPTWOGGYXLKA-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000116711567 326030584 /nfs/dbraw/zinc/03/05/84/326030584.db2.gz ZIGQFCNTQAEGTK-JOCHJYFZSA-N -1 1 353.465 2.383 20 0 FEADMM Cc1nc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)sc1C ZINC000117203935 326052740 /nfs/dbraw/zinc/05/27/40/326052740.db2.gz PINRUIVXNLJQPS-UHFFFAOYSA-N -1 1 355.423 2.395 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000118377397 326089757 /nfs/dbraw/zinc/08/97/57/326089757.db2.gz KHLFQBGYXQJIPT-UONOGXRCSA-N -1 1 372.494 2.425 20 0 FEADMM CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119108826 326127878 /nfs/dbraw/zinc/12/78/78/326127878.db2.gz VDIOLUCSQKHKDT-LLVKDONJSA-N -1 1 372.231 2.413 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)[nH]n1 ZINC000119353140 326152494 /nfs/dbraw/zinc/15/24/94/326152494.db2.gz LKVXIPMSJBJPCI-UHFFFAOYSA-N -1 1 350.382 2.189 20 0 FEADMM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119398092 326157931 /nfs/dbraw/zinc/15/79/31/326157931.db2.gz UEMQSJSFHCAEDR-AWEZNQCLSA-N -1 1 354.410 2.087 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(C(C)C)cc2)co1 ZINC000120020754 326222425 /nfs/dbraw/zinc/22/24/25/326222425.db2.gz ONPJBRKWOBDXSK-UHFFFAOYSA-N -1 1 366.439 2.120 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@@H](CO)C1 ZINC000120094450 326229867 /nfs/dbraw/zinc/22/98/67/326229867.db2.gz OWXZQUPDRDYGEX-OAHLLOKOSA-N -1 1 374.462 2.332 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@H](CO)C1 ZINC000120555152 326268122 /nfs/dbraw/zinc/26/81/22/326268122.db2.gz GSPONUGDUZLQHX-HNNXBMFYSA-N -1 1 374.462 2.332 20 0 FEADMM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120679086 326278346 /nfs/dbraw/zinc/27/83/46/326278346.db2.gz UOQWCCDPIZOCNW-JTQLQIEISA-N -1 1 358.204 2.023 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3nccn3C)cc2)cc1 ZINC000120884220 326296134 /nfs/dbraw/zinc/29/61/34/326296134.db2.gz MBKSLOVEBUMIGE-UHFFFAOYSA-N -1 1 371.418 2.461 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CCO)c2)cc1 ZINC000121076271 326311803 /nfs/dbraw/zinc/31/18/03/326311803.db2.gz NTFKMUAXFLJZQL-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)cc1F ZINC000121359809 326332603 /nfs/dbraw/zinc/33/26/03/326332603.db2.gz LZSDFURSEHOBAT-UHFFFAOYSA-N -1 1 365.430 2.475 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1C ZINC000121360522 326332659 /nfs/dbraw/zinc/33/26/59/326332659.db2.gz IRPUGALAUISFMY-UHFFFAOYSA-N -1 1 365.430 2.475 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1c([O-])cccc1F ZINC000121941737 326377286 /nfs/dbraw/zinc/37/72/86/326377286.db2.gz UWWJVITWOBRHAQ-MRXNPFEDSA-N -1 1 356.397 2.495 20 0 FEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1cc2ccccc2o1 ZINC000124305016 326451406 /nfs/dbraw/zinc/45/14/06/326451406.db2.gz HZBUZJUCMHKAGT-ZDUSSCGKSA-N -1 1 363.416 2.240 20 0 FEADMM CC(C)(C)N1C[C@@H](NC(=O)c2ccc(Br)c([O-])c2)CC1=O ZINC000126921876 326497467 /nfs/dbraw/zinc/49/74/67/326497467.db2.gz OPEHLPVGMACVRC-JTQLQIEISA-N -1 1 355.232 2.284 20 0 FEADMM Cc1ncc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000128235502 326520122 /nfs/dbraw/zinc/52/01/22/326520122.db2.gz DJLLIUGSHUQWGJ-UHFFFAOYSA-N -1 1 357.457 2.051 20 0 FEADMM COC(=O)[C@@H](C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000132591576 326595190 /nfs/dbraw/zinc/59/51/90/326595190.db2.gz DJSHEIYYPHZRDU-JTQLQIEISA-N -1 1 357.819 2.077 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccco3)cs2)co1 ZINC000132719745 326597063 /nfs/dbraw/zinc/59/70/63/326597063.db2.gz ZULMAXBUGMCAFP-UHFFFAOYSA-N -1 1 353.381 2.157 20 0 FEADMM O=C(NCCNC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000133004992 326601495 /nfs/dbraw/zinc/60/14/95/326601495.db2.gz VNGXOCALGMWITR-UHFFFAOYSA-N -1 1 363.211 2.315 20 0 FEADMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000133188229 326604479 /nfs/dbraw/zinc/60/44/79/326604479.db2.gz BPHXXGGUDZLROX-ZETCQYMHSA-N -1 1 357.284 2.344 20 0 FEADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)N1CCCCC1 ZINC000133425724 326608542 /nfs/dbraw/zinc/60/85/42/326608542.db2.gz WQGSQLCJHUVOPE-JTQLQIEISA-N -1 1 355.232 2.286 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)o1 ZINC000134484095 326626511 /nfs/dbraw/zinc/62/65/11/326626511.db2.gz CVPJLMQDEOXRMV-VBQJREDUSA-N -1 1 361.419 2.321 20 0 FEADMM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000136930142 326656433 /nfs/dbraw/zinc/65/64/33/326656433.db2.gz GYXBLCODOWDRDY-SJORKVTESA-N -1 1 356.422 2.333 20 0 FEADMM CCC1(CC)[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C[C@H]1OC ZINC000151936355 326695014 /nfs/dbraw/zinc/69/50/14/326695014.db2.gz SKSOLTIXPKORKO-ZIAGYGMSSA-N -1 1 367.515 2.443 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ncccc2C)C(C)C)co1 ZINC000152022654 326697099 /nfs/dbraw/zinc/69/70/99/326697099.db2.gz OWBRBTXLXOBDOE-AWEZNQCLSA-N -1 1 351.428 2.018 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](C)c2ccc(OC)cc2)co1 ZINC000153382204 326731618 /nfs/dbraw/zinc/73/16/18/326731618.db2.gz QVFGPUHZBDEPEK-LBPRGKRZSA-N -1 1 366.439 2.120 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)c1 ZINC000153949840 326747161 /nfs/dbraw/zinc/74/71/61/326747161.db2.gz GWEANAMMFKOSKX-CQSZACIVSA-N -1 1 352.412 2.179 20 0 FEADMM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000154687341 326766464 /nfs/dbraw/zinc/76/64/64/326766464.db2.gz DBIUUBRGOHENOV-UHFFFAOYSA-N -1 1 365.499 2.149 20 0 FEADMM CCOc1cc(Cl)ccc1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000156558728 326835949 /nfs/dbraw/zinc/83/59/49/326835949.db2.gz DHLNMBCZOWSJCA-UHFFFAOYSA-N -1 1 358.803 2.492 20 0 FEADMM CN(C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000162653259 327030926 /nfs/dbraw/zinc/03/09/26/327030926.db2.gz DMWARWXPNRCFEO-MAUKXSAKSA-N -1 1 368.433 2.397 20 0 FEADMM COc1ccc(C)cc1N1C[C@H](C(=O)[N-]OCCC(F)(F)F)CC1=O ZINC000162673434 327031695 /nfs/dbraw/zinc/03/16/95/327031695.db2.gz FOOGWKAYMDYGHK-LLVKDONJSA-N -1 1 360.332 2.357 20 0 FEADMM O=C(N[C@@H]1CCCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000170937181 327108295 /nfs/dbraw/zinc/10/82/95/327108295.db2.gz JZXKCRHEWQLJIN-MRXNPFEDSA-N -1 1 360.435 2.396 20 0 FEADMM COc1c(C)ccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000171450894 327140442 /nfs/dbraw/zinc/14/04/42/327140442.db2.gz BIMMPGRSSFWPQN-UHFFFAOYSA-N -1 1 354.410 2.446 20 0 FEADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000171773589 327160896 /nfs/dbraw/zinc/16/08/96/327160896.db2.gz SJHYJZDQTPZFIX-UHFFFAOYSA-N -1 1 353.831 2.306 20 0 FEADMM Cc1cc(C(=O)N2CC[C@@H](C)c3ccccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172602976 327210785 /nfs/dbraw/zinc/21/07/85/327210785.db2.gz GEUVYDWTMULDKV-SNVBAGLBSA-N -1 1 350.378 2.486 20 0 FEADMM Cc1cc(C(=O)N2CC[C@@H](C)c3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000172602976 327210787 /nfs/dbraw/zinc/21/07/87/327210787.db2.gz GEUVYDWTMULDKV-SNVBAGLBSA-N -1 1 350.378 2.486 20 0 FEADMM Cn1ccc(N2CCC[C@@H](NC(=O)c3cc4ccccc4cc3[O-])C2=O)n1 ZINC000172840194 327221926 /nfs/dbraw/zinc/22/19/26/327221926.db2.gz FLKXFOUBSXGBJH-MRXNPFEDSA-N -1 1 364.405 2.204 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000173511436 327262639 /nfs/dbraw/zinc/26/26/39/327262639.db2.gz XPTDXIQXEUJIJQ-JTQLQIEISA-N -1 1 370.384 2.135 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000173575628 327268131 /nfs/dbraw/zinc/26/81/31/327268131.db2.gz PAXPGQIGCFYSDY-UHFFFAOYSA-N -1 1 365.342 2.412 20 0 FEADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000174057950 327304079 /nfs/dbraw/zinc/30/40/79/327304079.db2.gz OGLCZPQKCCJXPR-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CC(C)[C@](C)(O)CNC(=O)c1cc(I)ccc1[O-] ZINC000174445332 327327379 /nfs/dbraw/zinc/32/73/79/327327379.db2.gz BKCFHNYBNDUKNE-CYBMUJFWSA-N -1 1 363.195 2.134 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)F)c2)cc1 ZINC000174552171 327334273 /nfs/dbraw/zinc/33/42/73/327334273.db2.gz UXRZYFXPIQBUSJ-UHFFFAOYSA-N -1 1 370.377 2.491 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)CCc2cccn2C)c(=O)[n-]1 ZINC000174594286 327337166 /nfs/dbraw/zinc/33/71/66/327337166.db2.gz KPWFPZWHHSNTBJ-GFCCVEGCSA-N -1 1 362.499 2.209 20 0 FEADMM COc1cccc(CC(=O)N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000175207244 327380124 /nfs/dbraw/zinc/38/01/24/327380124.db2.gz AELPPQWDQBMELL-UHFFFAOYSA-N -1 1 372.396 2.067 20 0 FEADMM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000175645152 327404338 /nfs/dbraw/zinc/40/43/38/327404338.db2.gz WXXMQGVQHCLKEP-UIBAUYSRSA-N -1 1 369.430 2.462 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c1 ZINC000176697958 327470656 /nfs/dbraw/zinc/47/06/56/327470656.db2.gz LCGWBANEUCIWIU-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@H](C)O)cc2)cc1 ZINC000177412637 327520505 /nfs/dbraw/zinc/52/05/05/327520505.db2.gz MTAKHSJDPTUVNP-AWEZNQCLSA-N -1 1 362.451 2.249 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000263124997 328917755 /nfs/dbraw/zinc/91/77/55/328917755.db2.gz MJZORDYTJHESHV-HZMBPMFUSA-N -1 1 362.348 2.290 20 0 FEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000263481460 328942874 /nfs/dbraw/zinc/94/28/74/328942874.db2.gz ODLXCHWKBABYPQ-SFHVURJKSA-N -1 1 359.470 2.200 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2OC)o1 ZINC000264565729 329036190 /nfs/dbraw/zinc/03/61/90/329036190.db2.gz GLLHUWTUCNSSQV-JTQLQIEISA-N -1 1 369.395 2.123 20 0 FEADMM Cc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265754504 329156958 /nfs/dbraw/zinc/15/69/58/329156958.db2.gz AXEDKVCXJSQZTB-UHFFFAOYSA-N -1 1 360.399 2.146 20 0 FEADMM Cc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000265754504 329156959 /nfs/dbraw/zinc/15/69/59/329156959.db2.gz AXEDKVCXJSQZTB-UHFFFAOYSA-N -1 1 360.399 2.146 20 0 FEADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1Cl ZINC000265914679 329172370 /nfs/dbraw/zinc/17/23/70/329172370.db2.gz OJAZKOCLYMLSON-LBPRGKRZSA-N -1 1 360.863 2.353 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H]1CCOC1 ZINC000266261539 329205853 /nfs/dbraw/zinc/20/58/53/329205853.db2.gz ZLAXFAYHASGPNN-HTQZYQBOSA-N -1 1 370.215 2.431 20 0 FEADMM CC[C@H]1CO[C@H](C)CN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000266344756 329213476 /nfs/dbraw/zinc/21/34/76/329213476.db2.gz ZBHUFSUPANRTMW-DOMZBBRYSA-N -1 1 356.426 2.121 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2cnc3onc(C)c3c2)cc1 ZINC000266440670 329223397 /nfs/dbraw/zinc/22/33/97/329223397.db2.gz MMJBPIULNPXLNL-UHFFFAOYSA-N -1 1 363.395 2.361 20 0 FEADMM Nn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1[C@H]1CCCCO1 ZINC000266457650 329225006 /nfs/dbraw/zinc/22/50/06/329225006.db2.gz PNZQRFZLMRVYEW-CYBMUJFWSA-N -1 1 374.422 2.338 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000266582670 329238459 /nfs/dbraw/zinc/23/84/59/329238459.db2.gz RFLSOJJZXXJURU-LAUBAEHRSA-N -1 1 362.433 2.160 20 0 FEADMM CNC(=O)COc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000266989334 329280372 /nfs/dbraw/zinc/28/03/72/329280372.db2.gz ISTUCPUEMQZSFD-UHFFFAOYSA-N -1 1 372.425 2.165 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000266992632 329281056 /nfs/dbraw/zinc/28/10/56/329281056.db2.gz JQXOYRJGKHGULF-UHFFFAOYSA-N -1 1 362.474 2.165 20 0 FEADMM CCNc1nc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cs1 ZINC000267039617 329285796 /nfs/dbraw/zinc/28/57/96/329285796.db2.gz HAFYSEDHFDOYSI-UHFFFAOYSA-N -1 1 370.456 2.207 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c(C)c1 ZINC000267329741 329315545 /nfs/dbraw/zinc/31/55/45/329315545.db2.gz OMEWGHVQKYAEOM-UHFFFAOYSA-N -1 1 363.439 2.039 20 0 FEADMM CCn1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1C1CC1 ZINC000267424436 329325964 /nfs/dbraw/zinc/32/59/64/329325964.db2.gz TUKDOYVDUFPVDU-UHFFFAOYSA-N -1 1 354.370 2.091 20 0 FEADMM CCn1nc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1C1CC1 ZINC000267424436 329325965 /nfs/dbraw/zinc/32/59/65/329325965.db2.gz TUKDOYVDUFPVDU-UHFFFAOYSA-N -1 1 354.370 2.091 20 0 FEADMM COC(=O)CN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCCC1 ZINC000268600649 329438227 /nfs/dbraw/zinc/43/82/27/329438227.db2.gz URAZIYUEBOTSBW-UHFFFAOYSA-N -1 1 367.471 2.089 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@H]2CSC)cc1[N-]S(C)(=O)=O ZINC000269121959 329487958 /nfs/dbraw/zinc/48/79/58/329487958.db2.gz JRMWYXIAKKEWQO-LBPRGKRZSA-N -1 1 373.500 2.426 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2c(C)onc2-c2ccncc2)s1 ZINC000269792483 329549286 /nfs/dbraw/zinc/54/92/86/329549286.db2.gz KUMOJEQRAHCVLH-UHFFFAOYSA-N -1 1 373.394 2.254 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000270064489 329572041 /nfs/dbraw/zinc/57/20/41/329572041.db2.gz XTTYZDHAJNDCKM-JTQLQIEISA-N -1 1 366.395 2.064 20 0 FEADMM CCc1cccc2c1OCC[C@H]2NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000270121592 329576425 /nfs/dbraw/zinc/57/64/25/329576425.db2.gz VPOAJWWUQMTELH-CQSZACIVSA-N -1 1 364.423 2.004 20 0 FEADMM CCC1(CO)CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000270826883 329635658 /nfs/dbraw/zinc/63/56/58/329635658.db2.gz IURONHANZOIPPM-UHFFFAOYSA-N -1 1 370.453 2.106 20 0 FEADMM COc1cccc(OC)c1CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000270976046 329650785 /nfs/dbraw/zinc/65/07/85/329650785.db2.gz UPCYETSGSVDZDU-LBPRGKRZSA-N -1 1 368.430 2.207 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000271362918 329687746 /nfs/dbraw/zinc/68/77/46/329687746.db2.gz OZJLGNOMXNKYLL-UKRRQHHQSA-N -1 1 370.453 2.417 20 0 FEADMM CC[C@@](C)(CCO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000272149435 329755822 /nfs/dbraw/zinc/75/58/22/329755822.db2.gz AFGSXEVDORZANS-IBGZPJMESA-N -1 1 358.442 2.153 20 0 FEADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272156845 329756350 /nfs/dbraw/zinc/75/63/50/329756350.db2.gz SIDMOIXVRRSXCF-UHFFFAOYSA-N -1 1 369.468 2.354 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCCO2)cc1[N-]S(C)(=O)=O ZINC000272307875 329768943 /nfs/dbraw/zinc/76/89/43/329768943.db2.gz RFTDITUXKVSKSO-FZMZJTMJSA-N -1 1 371.459 2.146 20 0 FEADMM COCC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccco1 ZINC000272539008 329789609 /nfs/dbraw/zinc/78/96/09/329789609.db2.gz CHZAJJHEUPCRFX-HNNXBMFYSA-N -1 1 372.425 2.471 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)s1 ZINC000273625934 329879888 /nfs/dbraw/zinc/87/98/88/329879888.db2.gz RQZRSQLJENWPAX-LURJTMIESA-N -1 1 363.262 2.044 20 0 FEADMM CCOc1cc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)cc(Cl)c1[O-] ZINC000273874277 329898969 /nfs/dbraw/zinc/89/89/69/329898969.db2.gz QZICCAOIAHPHHQ-ZDUSSCGKSA-N -1 1 365.813 2.483 20 0 FEADMM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000274152504 329920652 /nfs/dbraw/zinc/92/06/52/329920652.db2.gz ZJJFNIVUKZOHFQ-SNVBAGLBSA-N -1 1 351.346 2.060 20 0 FEADMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000274171669 329922737 /nfs/dbraw/zinc/92/27/37/329922737.db2.gz OENPLLIEDMYPHN-JTQLQIEISA-N -1 1 370.452 2.368 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000274251654 329930995 /nfs/dbraw/zinc/93/09/95/329930995.db2.gz ZIJYIVZHYJVAIA-SECBINFHSA-N -1 1 361.288 2.046 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCC(C)=O)c1 ZINC000274747025 329976407 /nfs/dbraw/zinc/97/64/07/329976407.db2.gz DWFGWGUZQSSCPK-UHFFFAOYSA-N -1 1 356.444 2.121 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1 ZINC000275055950 330006033 /nfs/dbraw/zinc/00/60/33/330006033.db2.gz XLERWUVDRIQGSH-UHFFFAOYSA-N -1 1 364.427 2.122 20 0 FEADMM CO[C@@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC[C@H]1C ZINC000275850223 330096289 /nfs/dbraw/zinc/09/62/89/330096289.db2.gz BBYRDAXDGNVCKX-CXAGYDPISA-N -1 1 370.453 2.369 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cccc(=O)n1[O-] ZINC000367128062 330220390 /nfs/dbraw/zinc/22/03/90/330220390.db2.gz WTAZFOCOJWUDNI-LJQANCHMSA-N -1 1 360.373 2.481 20 0 FEADMM COc1ccc2c(c1)OCCN(C(=O)c1c(C)[n-]c(=O)nc1SC)C2 ZINC000367248265 330236035 /nfs/dbraw/zinc/23/60/35/330236035.db2.gz ZBQVMKVOARXSAM-UHFFFAOYSA-N -1 1 361.423 2.256 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cccc(C)n3)CC2)n1 ZINC000369337960 330241342 /nfs/dbraw/zinc/24/13/42/330241342.db2.gz FQGLIOPLRKOQKO-UHFFFAOYSA-N -1 1 358.402 2.096 20 0 FEADMM CCCCCNC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788375 674354224 /nfs/dbraw/zinc/35/42/24/674354224.db2.gz MOAJPVYPPAMOFS-OBJOEFQTSA-N -1 1 351.413 2.070 20 0 FEADMM CCCCOC(=O)[C@@H](C)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788766 674354237 /nfs/dbraw/zinc/35/42/37/674354237.db2.gz SGVGWTKOPUWXSX-RVMXOQNASA-N -1 1 352.397 2.496 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000555528957 674364843 /nfs/dbraw/zinc/36/48/43/674364843.db2.gz YNHSQLSZESZHLK-JTQLQIEISA-N -1 1 360.395 2.440 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3c[nH]nc3c2)CCCCC1 ZINC000555620330 674369665 /nfs/dbraw/zinc/36/96/65/674369665.db2.gz QICOIPNJTVRXGO-UHFFFAOYSA-N -1 1 351.428 2.428 20 0 FEADMM COC(=O)C[C@](C)(NC(=O)c1csc(=NC2CC2)[n-]1)c1ccccn1 ZINC000486842937 538569713 /nfs/dbraw/zinc/56/97/13/538569713.db2.gz RAJUHJLCCYFSPA-KRWDZBQOSA-N -1 1 360.439 2.321 20 0 FEADMM O=C(COc1ccccc1C(F)(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155581576 545545306 /nfs/dbraw/zinc/54/53/06/545545306.db2.gz NYIKHWBBDVLTKL-JTQLQIEISA-N -1 1 355.320 2.004 20 0 FEADMM O=C(NCCO)c1ccc(=NCC(c2ccccc2)c2ccccc2)[n-]n1 ZINC000489531176 538820276 /nfs/dbraw/zinc/82/02/76/538820276.db2.gz NSVJTSYNORGOMV-UHFFFAOYSA-N -1 1 362.433 2.443 20 0 FEADMM COc1cc(NCC[N-]S(=O)(=O)c2cccc(F)c2F)cc(OC)c1 ZINC000156657151 545642867 /nfs/dbraw/zinc/64/28/67/545642867.db2.gz KDFIECHHXLTLFQ-UHFFFAOYSA-N -1 1 372.393 2.372 20 0 FEADMM COC(=O)c1cn(CCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)nn1 ZINC000477406506 561144100 /nfs/dbraw/zinc/14/41/00/561144100.db2.gz QLBCMWOEQLISOE-UHFFFAOYSA-N -1 1 371.422 2.328 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000477403259 561144152 /nfs/dbraw/zinc/14/41/52/561144152.db2.gz IWRGIBWUFMJITP-UHFFFAOYSA-N -1 1 357.410 2.429 20 0 FEADMM CCn1nccc1CN(CCO)C(=O)c1ccc(Br)c([O-])c1 ZINC000477433119 561144868 /nfs/dbraw/zinc/14/48/68/561144868.db2.gz HRDRVCFKLCLYPO-UHFFFAOYSA-N -1 1 368.231 2.006 20 0 FEADMM Cc1ncoc1C(=O)[N-]c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000477481047 561146081 /nfs/dbraw/zinc/14/60/81/561146081.db2.gz ZHBBALXBWOYQPS-UHFFFAOYSA-N -1 1 373.793 2.469 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCc1cccc2ccccc21 ZINC000477615954 561149449 /nfs/dbraw/zinc/14/94/49/561149449.db2.gz XNRQCJMKUUDIPE-UHFFFAOYSA-N -1 1 353.378 2.364 20 0 FEADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000158954892 545907921 /nfs/dbraw/zinc/90/79/21/545907921.db2.gz WFPBZLLGEXPGID-JQWIXIFHSA-N -1 1 372.874 2.030 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCSc2c(F)cccc21 ZINC000478341895 561164776 /nfs/dbraw/zinc/16/47/76/561164776.db2.gz NDZDTCHXTHNPHL-GFCCVEGCSA-N -1 1 361.398 2.009 20 0 FEADMM C[C@H](CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)[S@](C)=O ZINC000165953298 546154683 /nfs/dbraw/zinc/15/46/83/546154683.db2.gz UFSCJQBJLAZFOQ-YMXBGEKHSA-N -1 1 366.483 2.154 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)o1 ZINC000479186233 561183868 /nfs/dbraw/zinc/18/38/68/561183868.db2.gz UWRVPLLOHYRVLE-UHFFFAOYSA-N -1 1 352.412 2.001 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccc1Br ZINC000175988671 546385596 /nfs/dbraw/zinc/38/55/96/546385596.db2.gz XDHACXPJMSBIPO-UHFFFAOYSA-N -1 1 368.256 2.493 20 0 FEADMM CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000480245305 561205748 /nfs/dbraw/zinc/20/57/48/561205748.db2.gz ZNRIUOMPRHTXHO-LLVKDONJSA-N -1 1 367.427 2.427 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1 ZINC000176683040 546476127 /nfs/dbraw/zinc/47/61/27/546476127.db2.gz ANWAHHKTGYHXBS-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM CCC[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1nn[n-]n1 ZINC000176752681 546484456 /nfs/dbraw/zinc/48/44/56/546484456.db2.gz PRCVCQLSKOHRNV-SECBINFHSA-N -1 1 360.365 2.363 20 0 FEADMM C[C@H]1CN=C(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)S1 ZINC000177219776 546573210 /nfs/dbraw/zinc/57/32/10/546573210.db2.gz YLEFQJGNJPITAN-LBPRGKRZSA-N -1 1 359.451 2.108 20 0 FEADMM CNC(=O)Cc1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000481323663 561230616 /nfs/dbraw/zinc/23/06/16/561230616.db2.gz OYZKCXSJADRGOD-UHFFFAOYSA-N -1 1 364.374 2.238 20 0 FEADMM O=C(N[C@@H]1CCC[C@H]1O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000178599263 546817214 /nfs/dbraw/zinc/81/72/14/546817214.db2.gz GYVKSYNFQXCWAE-IAGOWNOFSA-N -1 1 360.435 2.131 20 0 FEADMM O=C([O-])[C@H]1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000178899474 546870287 /nfs/dbraw/zinc/87/02/87/546870287.db2.gz RIGKVRZCIIUUMO-GXFFZTMASA-N -1 1 358.316 2.097 20 0 FEADMM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179539401 546972916 /nfs/dbraw/zinc/97/29/16/546972916.db2.gz OXUFLJBAEGKHSW-NSHDSACASA-N -1 1 366.414 2.386 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000179536988 546973168 /nfs/dbraw/zinc/97/31/68/546973168.db2.gz FQDKENXRJCHQJU-CYBMUJFWSA-N -1 1 360.435 2.488 20 0 FEADMM CC(C)(C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cccc(F)c1 ZINC000179540450 546974097 /nfs/dbraw/zinc/97/40/97/546974097.db2.gz FVEAQYZLJNYRGE-UHFFFAOYSA-N -1 1 352.387 2.095 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2c(C)onc2-c2ccncc2)s1 ZINC000482224083 561250540 /nfs/dbraw/zinc/25/05/40/561250540.db2.gz OZLGKUWWZJFZHI-UHFFFAOYSA-N -1 1 373.394 2.254 20 0 FEADMM COC(=O)CCN1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000180383177 547096216 /nfs/dbraw/zinc/09/62/16/547096216.db2.gz AQPFLQAMAWUNCT-CQSZACIVSA-N -1 1 356.422 2.255 20 0 FEADMM CCCCn1ncc(NC(=O)CNC(=O)c2ncccc2[O-])c1C(C)C ZINC000482710805 561258935 /nfs/dbraw/zinc/25/89/35/561258935.db2.gz GJUYXWCWUZYEMC-UHFFFAOYSA-N -1 1 359.430 2.276 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000483081465 561266808 /nfs/dbraw/zinc/26/68/08/561266808.db2.gz XSFJACACEKPMOB-GFCCVEGCSA-N -1 1 361.471 2.277 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c1F ZINC000181045747 547237596 /nfs/dbraw/zinc/23/75/96/547237596.db2.gz LCGAENMZOWGRRY-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000181053952 547239940 /nfs/dbraw/zinc/23/99/40/547239940.db2.gz AOWIARWANKMENL-LBPRGKRZSA-N -1 1 364.398 2.387 20 0 FEADMM CC[C@H]1CCc2nc(NC(=O)CNC(=O)c3ncccc3[O-])sc2C1 ZINC000483239792 561271543 /nfs/dbraw/zinc/27/15/43/561271543.db2.gz AISLLBCMFYZGMA-JTQLQIEISA-N -1 1 360.439 2.127 20 0 FEADMM Cn1nccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484084885 561291200 /nfs/dbraw/zinc/29/12/00/561291200.db2.gz BCOMSUJOANWDBF-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM COc1ccc(NC(=O)c2ccnc3ccncc32)cc1[N-]S(C)(=O)=O ZINC000484293695 561295759 /nfs/dbraw/zinc/29/57/59/561295759.db2.gz ZWQIOPBYYAJICB-UHFFFAOYSA-N -1 1 372.406 2.262 20 0 FEADMM Cc1cc(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccc1Br ZINC000183423221 547656511 /nfs/dbraw/zinc/65/65/11/547656511.db2.gz OKEHUWKKJQONKM-LLVKDONJSA-N -1 1 366.263 2.465 20 0 FEADMM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183433121 547658316 /nfs/dbraw/zinc/65/83/16/547658316.db2.gz LKRIIJPTMQGJMF-NSHDSACASA-N -1 1 373.848 2.282 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nn[n-]n1 ZINC000183441956 547659876 /nfs/dbraw/zinc/65/98/76/547659876.db2.gz NQCDUKRGAJNCDN-NSHDSACASA-N -1 1 359.361 2.387 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c1Cl ZINC000183847229 547728495 /nfs/dbraw/zinc/72/84/95/547728495.db2.gz BVBJEUCMFRFYBK-STQMWFEESA-N -1 1 355.847 2.272 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCSC[C@H]1c1nccs1)c2=O ZINC000184159886 547778554 /nfs/dbraw/zinc/77/85/54/547778554.db2.gz ZERSIKXLHHGJCM-NSHDSACASA-N -1 1 361.452 2.061 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000184915258 547899207 /nfs/dbraw/zinc/89/92/07/547899207.db2.gz IMWPJXZCVSEDMV-AAEUAGOBSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1nnnn1-c1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000485376546 561317868 /nfs/dbraw/zinc/31/78/68/561317868.db2.gz PTPCDYKYMZKHBA-UHFFFAOYSA-N -1 1 373.376 2.177 20 0 FEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(-n2cnnn2)c1 ZINC000187031076 548244700 /nfs/dbraw/zinc/24/47/00/548244700.db2.gz JIXFQYIQULYZMY-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000486186435 561340368 /nfs/dbraw/zinc/34/03/68/561340368.db2.gz BEZHVPGYTXOHKO-UHFFFAOYSA-N -1 1 352.350 2.020 20 0 FEADMM O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000189619338 548306431 /nfs/dbraw/zinc/30/64/31/548306431.db2.gz CBFYJCGDSZNRIK-UHFFFAOYSA-N -1 1 363.421 2.127 20 0 FEADMM C[C@](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000193079304 548378779 /nfs/dbraw/zinc/37/87/79/548378779.db2.gz NSKLOCLYTIOZME-GOSISDBHSA-N -1 1 368.349 2.243 20 0 FEADMM CNC(=O)C1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000486499807 561349144 /nfs/dbraw/zinc/34/91/44/561349144.db2.gz RWWCRSKONLLHIB-UHFFFAOYSA-N -1 1 355.232 2.189 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000194588790 548501829 /nfs/dbraw/zinc/50/18/29/548501829.db2.gz UKMZLUKNPRTGKY-UHFFFAOYSA-N -1 1 373.887 2.363 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)[nH]n1 ZINC000194796828 548532968 /nfs/dbraw/zinc/53/29/68/548532968.db2.gz RZZBOMFIMSZDLS-UHFFFAOYSA-N -1 1 350.444 2.255 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)s1 ZINC000486699539 561354747 /nfs/dbraw/zinc/35/47/47/561354747.db2.gz OXYJMVCZBHVZHX-QMMMGPOBSA-N -1 1 369.411 2.400 20 0 FEADMM CCOC(=O)c1cnn(Cc2ccc(Cl)cc2)c1[N-]S(C)(=O)=O ZINC000194984846 548560116 /nfs/dbraw/zinc/56/01/16/548560116.db2.gz ZIHIATZZDHDLNZ-UHFFFAOYSA-N -1 1 357.819 2.133 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCOc2c(C)cccc2C)n1 ZINC000195073167 548573733 /nfs/dbraw/zinc/57/37/33/548573733.db2.gz YWFKHQPWHAOSIQ-UHFFFAOYSA-N -1 1 361.467 2.236 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)c1 ZINC000195126802 548581549 /nfs/dbraw/zinc/58/15/49/548581549.db2.gz OOHPBCPVCYVSTJ-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)c1 ZINC000195126802 548581552 /nfs/dbraw/zinc/58/15/52/548581552.db2.gz OOHPBCPVCYVSTJ-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM CN(Cc1nccn1C)C(=O)c1cc(I)ccc1[O-] ZINC000220009571 548697807 /nfs/dbraw/zinc/69/78/07/548697807.db2.gz RSUMOLKUWHWEAC-UHFFFAOYSA-N -1 1 371.178 2.003 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1NC(N)=O ZINC000487337242 561367944 /nfs/dbraw/zinc/36/79/44/561367944.db2.gz NPABHUZSNMHLPM-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1C ZINC000237571306 548835889 /nfs/dbraw/zinc/83/58/89/548835889.db2.gz VCRGARNYDTYLFK-TZMCWYRMSA-N -1 1 368.499 2.400 20 0 FEADMM O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000245868467 549006372 /nfs/dbraw/zinc/00/63/72/549006372.db2.gz LSBBOSPEGFUCBL-HOTGVXAUSA-N -1 1 360.841 2.411 20 0 FEADMM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000488247846 561386863 /nfs/dbraw/zinc/38/68/63/561386863.db2.gz WDLSRLKHFGSABP-UHFFFAOYSA-N -1 1 374.871 2.439 20 0 FEADMM O=C([O-])[C@@H]1CCN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000246158537 549065767 /nfs/dbraw/zinc/06/57/67/549065767.db2.gz ABDNRUXSFSZXHH-DYVFJYSZSA-N -1 1 362.426 2.499 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCC3)C2)o1 ZINC000489160923 561404709 /nfs/dbraw/zinc/40/47/09/561404709.db2.gz NAYNLUJEASGJHO-LBPRGKRZSA-N -1 1 370.471 2.188 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000489715277 561417646 /nfs/dbraw/zinc/41/76/46/561417646.db2.gz LUFHSOHHOBRBDZ-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(N)=O ZINC000490076019 561425797 /nfs/dbraw/zinc/42/57/97/561425797.db2.gz ZUJLJRUDTHNKAZ-BONVTDFDSA-N -1 1 370.833 2.415 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262058353 549784520 /nfs/dbraw/zinc/78/45/20/549784520.db2.gz BIWWNVMOKRJQJX-APPDUMDISA-N -1 1 352.818 2.474 20 0 FEADMM COc1ccccc1C[C@H](C)N(CC(=O)NCC(=O)[O-])Cc1ccccc1 ZINC000262265081 549803992 /nfs/dbraw/zinc/80/39/92/549803992.db2.gz SYDOECQKBROXSC-INIZCTEOSA-N -1 1 370.449 2.329 20 0 FEADMM CCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])n[nH]1 ZINC000262812477 549852242 /nfs/dbraw/zinc/85/22/42/549852242.db2.gz PFTSFIMMIGYVMY-HNNXBMFYSA-N -1 1 373.409 2.204 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000263350952 549897067 /nfs/dbraw/zinc/89/70/67/549897067.db2.gz PSHWCRWEHZZDKF-GDBMZVCRSA-N -1 1 370.453 2.470 20 0 FEADMM CCc1cnccc1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000490932671 561440520 /nfs/dbraw/zinc/44/05/20/561440520.db2.gz JPGXASUNXKQAQC-UHFFFAOYSA-N -1 1 365.455 2.244 20 0 FEADMM COc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1[N-]S(C)(=O)=O ZINC000268254149 550040355 /nfs/dbraw/zinc/04/03/55/550040355.db2.gz TYFVTPXTNMNPBE-RYUDHWBXSA-N -1 1 353.444 2.331 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2csc(-c3cccs3)n2)[n-]1 ZINC000268497178 550076934 /nfs/dbraw/zinc/07/69/34/550076934.db2.gz QOFSUHJTCWDMNL-UHFFFAOYSA-N -1 1 356.454 2.110 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2csc(-c3cccs3)n2)n[n-]1 ZINC000268497178 550076935 /nfs/dbraw/zinc/07/69/35/550076935.db2.gz QOFSUHJTCWDMNL-UHFFFAOYSA-N -1 1 356.454 2.110 20 0 FEADMM CCc1ncsc1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000269744522 550222091 /nfs/dbraw/zinc/22/20/91/550222091.db2.gz PYZWIQFSLKTGAS-UHFFFAOYSA-N -1 1 355.441 2.338 20 0 FEADMM CC1(C)C[C@H](NC(=O)CNC(=O)c2ncccc2[O-])c2ccc(F)cc2O1 ZINC000493839590 561458466 /nfs/dbraw/zinc/45/84/66/561458466.db2.gz ZUUJYEIIRWAMCM-ZDUSSCGKSA-N -1 1 373.384 2.075 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1ccc(F)cc1[O-] ZINC000270375923 550266745 /nfs/dbraw/zinc/26/67/45/550266745.db2.gz NGWMAOAODZAUGU-OSAQELSMSA-N -1 1 353.419 2.196 20 0 FEADMM CCCOc1ccc(CCC(=O)Nc2nc(SCCO)n[nH]2)cc1 ZINC000270693667 550297511 /nfs/dbraw/zinc/29/75/11/550297511.db2.gz AAJXASKSUUNDAL-UHFFFAOYSA-N -1 1 350.444 2.249 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CO)c2ccc(F)cc2)c(=O)[n-]1 ZINC000271274738 550360171 /nfs/dbraw/zinc/36/01/71/550360171.db2.gz DZMYUUQXLOCHHC-CQSZACIVSA-N -1 1 365.430 2.134 20 0 FEADMM CC1(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])COC1 ZINC000271304002 550362794 /nfs/dbraw/zinc/36/27/94/550362794.db2.gz RGEVRFVAEBWZKZ-UHFFFAOYSA-N -1 1 362.304 2.269 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCO[C@H](C)C2)c1 ZINC000272119163 550423796 /nfs/dbraw/zinc/42/37/96/550423796.db2.gz SPEQFAGYULCCDY-CHWSQXEVSA-N -1 1 370.471 2.176 20 0 FEADMM COc1ccc(OC)c(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])c1 ZINC000273311462 550493998 /nfs/dbraw/zinc/49/39/98/550493998.db2.gz BXXXFDRHYPSCQO-CQSZACIVSA-N -1 1 363.439 2.125 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccc2c(c1)CCO2 ZINC000274518721 550541742 /nfs/dbraw/zinc/54/17/42/550541742.db2.gz WTZLQHIBFXBGMR-INIZCTEOSA-N -1 1 365.407 2.024 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n1 ZINC000274900405 550563456 /nfs/dbraw/zinc/56/34/56/550563456.db2.gz HZJBWXBMHKCELW-UHFFFAOYSA-N -1 1 362.411 2.254 20 0 FEADMM Cc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000276785471 550595507 /nfs/dbraw/zinc/59/55/07/550595507.db2.gz RVBBITZIFUFQMM-UHFFFAOYSA-N -1 1 365.411 2.034 20 0 FEADMM CCOC[C@@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C(C)C ZINC000276989434 550618918 /nfs/dbraw/zinc/61/89/18/550618918.db2.gz VTVGJJPXODYXDM-CQSZACIVSA-N -1 1 373.475 2.249 20 0 FEADMM C[C@H]1C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000277166413 550639174 /nfs/dbraw/zinc/63/91/74/550639174.db2.gz SKTQRJJGBSYNEE-JSGCOSHPSA-N -1 1 371.403 2.223 20 0 FEADMM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000277665455 550698793 /nfs/dbraw/zinc/69/87/93/550698793.db2.gz FVHMOBXNUUAYJP-HQJQHLMTSA-N -1 1 370.215 2.431 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3ccc(C)cc3)CC2)n1 ZINC000277706237 550704488 /nfs/dbraw/zinc/70/44/88/550704488.db2.gz MKVMVXNOFGBHPX-UHFFFAOYSA-N -1 1 356.426 2.239 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc4ccccn4c3)CC2)n1 ZINC000277753889 550710302 /nfs/dbraw/zinc/71/03/02/550710302.db2.gz PWSOXULFCCHJOU-UHFFFAOYSA-N -1 1 367.409 2.254 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@H]3CC=CCC3)CC2)n1 ZINC000277788608 550714053 /nfs/dbraw/zinc/71/40/53/550714053.db2.gz UZTFAQYLAKXTRA-ZDUSSCGKSA-N -1 1 361.446 2.227 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 ZINC000277794055 550714783 /nfs/dbraw/zinc/71/47/83/550714783.db2.gz SWEJIJWRUKHXTE-UHFFFAOYSA-N -1 1 367.409 2.483 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(C(C)(C)c2ccccc2)no1 ZINC000277866710 550723377 /nfs/dbraw/zinc/72/33/77/550723377.db2.gz BKDODBQNGOSPIK-UHFFFAOYSA-N -1 1 367.471 2.240 20 0 FEADMM Cc1cnc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000495035383 561481397 /nfs/dbraw/zinc/48/13/97/561481397.db2.gz CESRBYSDNDXJOV-UHFFFAOYSA-N -1 1 367.449 2.449 20 0 FEADMM CCOCCS(=O)(=O)[N-]Cc1nc(-c2cc3cc(C)ccc3o2)no1 ZINC000278153209 550754753 /nfs/dbraw/zinc/75/47/53/550754753.db2.gz JHLYLMPEYLYXQW-UHFFFAOYSA-N -1 1 365.411 2.247 20 0 FEADMM CCOc1cc(-c2noc([C@H](C)NS(C)(=O)=O)n2)cc(Cl)c1[O-] ZINC000278172441 550756879 /nfs/dbraw/zinc/75/68/79/550756879.db2.gz WKQFBIVRXOBIHK-ZETCQYMHSA-N -1 1 361.807 2.105 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000278223254 550762563 /nfs/dbraw/zinc/76/25/63/550762563.db2.gz JMFRSOZESNMNFB-KRWDZBQOSA-N -1 1 356.426 2.070 20 0 FEADMM CCOCc1ccccc1CNC(=O)CSc1nc(C(=O)OC)c[n-]1 ZINC000278717620 550814617 /nfs/dbraw/zinc/81/46/17/550814617.db2.gz SLQFILFCPKNQTK-UHFFFAOYSA-N -1 1 363.439 2.141 20 0 FEADMM COC(=O)c1c[n-]c(SCCCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC000278757232 550818744 /nfs/dbraw/zinc/81/87/44/550818744.db2.gz WXQQYRKRUGRZKZ-UHFFFAOYSA-N -1 1 370.452 2.161 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)ccnc1-2 ZINC000279973577 550948409 /nfs/dbraw/zinc/94/84/09/550948409.db2.gz YWACDTHNQQOEKM-PAJXCOJRSA-N -1 1 363.421 2.034 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@]2(CCOC2)O1 ZINC000280493045 551000108 /nfs/dbraw/zinc/00/01/08/551000108.db2.gz KMGTXDQCAWRIIX-BONVTDFDSA-N -1 1 356.216 2.175 20 0 FEADMM O=C(C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc([O-])cc1 ZINC000280783094 551031899 /nfs/dbraw/zinc/03/18/99/551031899.db2.gz NZGCYXYLBPCAPF-OAHLLOKOSA-N -1 1 368.437 2.299 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCOCC2)o1 ZINC000280809522 551034727 /nfs/dbraw/zinc/03/47/27/551034727.db2.gz RABJBQIRQXBQEK-CYBMUJFWSA-N -1 1 366.364 2.375 20 0 FEADMM O=C([N-]CC1CCN(c2cc(N3CCCCC3)ncn2)CC1)C(F)(F)F 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FEADMM CCOc1cc(C(=O)[N-]c2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)on1 ZINC000294354304 552899459 /nfs/dbraw/zinc/89/94/59/552899459.db2.gz BGSGEULFXNWBJC-QWRGUYRKSA-N -1 1 366.443 2.391 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC2(C1)CCOC2 ZINC000294478098 552909297 /nfs/dbraw/zinc/90/92/97/552909297.db2.gz QDYZDOJGHGDPHT-UHFFFAOYSA-N -1 1 372.446 2.350 20 0 FEADMM O=S(=O)(C1CCN(Cc2cccc([O-])c2Cl)CC1)N1CCCC1 ZINC000294555838 552915277 /nfs/dbraw/zinc/91/52/77/552915277.db2.gz FOSQEEOJKVTINN-UHFFFAOYSA-N -1 1 358.891 2.436 20 0 FEADMM O=C([N-]N1CCCNC1=O)c1cc(Cl)c(Br)cc1F ZINC000294839893 552937837 /nfs/dbraw/zinc/93/78/37/552937837.db2.gz BIGCVILSXGEJPX-UHFFFAOYSA-N -1 1 350.575 2.302 20 0 FEADMM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000295143743 552962810 /nfs/dbraw/zinc/96/28/10/552962810.db2.gz DKBXFTAVNDDCOA-UHFFFAOYSA-N -1 1 366.464 2.153 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2cc3c([nH]2)CCCC3)CC1)C(F)(F)F ZINC000295167774 552965582 /nfs/dbraw/zinc/96/55/82/552965582.db2.gz POKBXQQDIVTTEJ-UHFFFAOYSA-N -1 1 357.376 2.424 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2O)co1 ZINC000501945240 561608595 /nfs/dbraw/zinc/60/85/95/561608595.db2.gz ILLUMLCBGBCDFJ-UHFFFAOYSA-N -1 1 352.412 2.443 20 0 FEADMM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000295259215 552977747 /nfs/dbraw/zinc/97/77/47/552977747.db2.gz DBEIHSZHHLXRGO-GFCCVEGCSA-N -1 1 350.415 2.385 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1S(N)(=O)=O ZINC000295268651 552978703 /nfs/dbraw/zinc/97/87/03/552978703.db2.gz JINICXIRRFHXFC-UHFFFAOYSA-N -1 1 366.464 2.321 20 0 FEADMM C[C@@H](NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cc1 ZINC000295300791 552983616 /nfs/dbraw/zinc/98/36/16/552983616.db2.gz JZAPHRIZHRZIKA-DGCLKSJQSA-N -1 1 364.833 2.073 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)o1 ZINC000295439446 553007136 /nfs/dbraw/zinc/00/71/36/553007136.db2.gz QRAXBRYREXEFHL-IVZWLZJFSA-N -1 1 368.377 2.379 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(C4CC4)C[C@@H](C)C3)n2)cc1 ZINC000295510459 553018501 /nfs/dbraw/zinc/01/85/01/553018501.db2.gz HNSFFYCDFRBKFL-CQSZACIVSA-N -1 1 370.453 2.143 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2coc3c2C(=O)CCC3)C1)C(F)(F)F ZINC000296169547 553116027 /nfs/dbraw/zinc/11/60/27/553116027.db2.gz TWXUTOSAFATTJW-SNVBAGLBSA-N -1 1 372.343 2.329 20 0 FEADMM COc1ccc(NC(=O)NCCC2(OC)CCC2)cc1[N-]S(C)(=O)=O ZINC000296694024 553198932 /nfs/dbraw/zinc/19/89/32/553198932.db2.gz CILCXDCDVSNWIZ-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297678707 553323909 /nfs/dbraw/zinc/32/39/09/553323909.db2.gz HQYIGYBWUXVCBI-UHFFFAOYSA-N -1 1 358.789 2.013 20 0 FEADMM Clc1cccc(-n2c(SCc3nn[n-]n3)nnc2N2CCCC2)c1 ZINC000298311221 553410738 /nfs/dbraw/zinc/41/07/38/553410738.db2.gz NGRJLGXHXAHCBT-UHFFFAOYSA-N -1 1 362.850 2.326 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCOC)[C@H](C)c2ccccc2)o1 ZINC000299408492 553559376 /nfs/dbraw/zinc/55/93/76/553559376.db2.gz YVAXLGXLRNCABD-CYBMUJFWSA-N -1 1 366.439 2.038 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2ccc(Cl)cc2n1 ZINC000504254133 561655131 /nfs/dbraw/zinc/65/51/31/561655131.db2.gz KZHUAGHWSFNEJR-UHFFFAOYSA-N -1 1 356.769 2.357 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](CO)c2ccsc2)c(=O)[n-]1 ZINC000505597916 561674927 /nfs/dbraw/zinc/67/49/27/561674927.db2.gz WZYNYLPZMIIIMS-LBPRGKRZSA-N -1 1 353.469 2.056 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1cncn1 ZINC000324532502 553772595 /nfs/dbraw/zinc/77/25/95/553772595.db2.gz AUGARDJOOSHOTR-UHFFFAOYSA-N -1 1 364.408 2.136 20 0 FEADMM CCCNC(=O)c1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000324844493 553773831 /nfs/dbraw/zinc/77/38/31/553773831.db2.gz XLDDOIDFRXUQLC-UHFFFAOYSA-N -1 1 368.436 2.387 20 0 FEADMM CCC(CC)[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])N1CCOCC1 ZINC000505754381 561679363 /nfs/dbraw/zinc/67/93/63/561679363.db2.gz HZVZZQLFGOHUCL-KRWDZBQOSA-N -1 1 364.442 2.254 20 0 FEADMM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1cnn([C@@H]2CCOC2)c1 ZINC000329527442 553962203 /nfs/dbraw/zinc/96/22/03/553962203.db2.gz SBMSJPGJUVIAST-LLVKDONJSA-N -1 1 367.393 2.388 20 0 FEADMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cnc2n1CCC2 ZINC000330122955 554068488 /nfs/dbraw/zinc/06/84/88/554068488.db2.gz KNNHUDCOGCHLMC-UHFFFAOYSA-N -1 1 350.419 2.369 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1F ZINC000507639592 561736174 /nfs/dbraw/zinc/73/61/74/561736174.db2.gz WROSTHRAHACRJX-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)[nH]n2)cc1 ZINC000507871175 561744009 /nfs/dbraw/zinc/74/40/09/561744009.db2.gz APHBALMQHVNQNJ-GFCCVEGCSA-N -1 1 369.381 2.194 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000507875326 561744166 /nfs/dbraw/zinc/74/41/66/561744166.db2.gz GHZXRPYUNRCVRG-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM O=C(c1csc(Nc2ccccn2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507902025 561745252 /nfs/dbraw/zinc/74/52/52/561745252.db2.gz LPWBEFFEWMJKGK-SNVBAGLBSA-N -1 1 372.410 2.390 20 0 FEADMM COc1cc(NC(=O)CC2(O)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000330493062 554128707 /nfs/dbraw/zinc/12/87/07/554128707.db2.gz LQWWRALMXBYZKF-UHFFFAOYSA-N -1 1 356.444 2.091 20 0 FEADMM COc1cc(C(=O)N2CCN(CC(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000330676374 554156449 /nfs/dbraw/zinc/15/64/49/554156449.db2.gz UIUCADCJQKHWCG-UHFFFAOYSA-N -1 1 352.740 2.374 20 0 FEADMM Cc1cccc(C2(NC(=O)CNC(=O)c3ncccc3[O-])CCCC2)c1 ZINC000508365923 561760161 /nfs/dbraw/zinc/76/01/61/561760161.db2.gz CFTPICRHUBUOIA-UHFFFAOYSA-N -1 1 353.422 2.411 20 0 FEADMM Cc1ccc([C@@H]2CSCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000508377475 561760773 /nfs/dbraw/zinc/76/07/73/561760773.db2.gz UPKBAWKATKOYNH-HNNXBMFYSA-N -1 1 371.462 2.142 20 0 FEADMM CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000331239822 554235332 /nfs/dbraw/zinc/23/53/32/554235332.db2.gz OGAPBEIBXVQVIB-LLVKDONJSA-N -1 1 355.232 2.286 20 0 FEADMM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000331235131 554234797 /nfs/dbraw/zinc/23/47/97/554234797.db2.gz STPDGRXLYSLWKI-BDAKNGLRSA-N -1 1 366.233 2.052 20 0 FEADMM CC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@H]1N1CCOCC1 ZINC000331283868 554241112 /nfs/dbraw/zinc/24/11/12/554241112.db2.gz RZJHTABEAGTXNT-SWLSCSKDSA-N -1 1 368.861 2.237 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000331405325 554259274 /nfs/dbraw/zinc/25/92/74/554259274.db2.gz QCZPHWRHACXHLC-GFCCVEGCSA-N -1 1 355.847 2.614 20 0 FEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CN1C1CC1 ZINC000331481547 554272117 /nfs/dbraw/zinc/27/21/17/554272117.db2.gz JMZRNPDKLCJOBN-MWLCHTKSSA-N -1 1 364.389 2.315 20 0 FEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509097734 561784698 /nfs/dbraw/zinc/78/46/98/561784698.db2.gz JNUYCWKAJRQBLM-UHFFFAOYSA-N -1 1 353.327 2.142 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCCO)cc2)cc1 ZINC000509169605 561788025 /nfs/dbraw/zinc/78/80/25/561788025.db2.gz RAWXEGHBYUGHJG-UHFFFAOYSA-N -1 1 362.451 2.250 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](O)C[C@H]3C)c2)c1 ZINC000331696325 554310065 /nfs/dbraw/zinc/31/00/65/554310065.db2.gz VQVNCODNQRHEOU-PBHICJAKSA-N -1 1 374.462 2.391 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc(Cl)c1[O-] ZINC000331714853 554313921 /nfs/dbraw/zinc/31/39/21/554313921.db2.gz FQSPUCYISVBSAG-LLVKDONJSA-N -1 1 350.806 2.198 20 0 FEADMM CC(C)(C)c1nc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cs1 ZINC000331742240 554319502 /nfs/dbraw/zinc/31/95/02/554319502.db2.gz GHZZSXSWDQLRNJ-JTQLQIEISA-N -1 1 350.444 2.478 20 0 FEADMM O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509263883 561792811 /nfs/dbraw/zinc/79/28/11/561792811.db2.gz NUMMBCQHKUSKBP-UHFFFAOYSA-N -1 1 357.345 2.324 20 0 FEADMM COc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(OC(F)F)c1 ZINC000509264153 561792862 /nfs/dbraw/zinc/79/28/62/561792862.db2.gz OSYOXEWXJLNQAY-UHFFFAOYSA-N -1 1 369.324 2.405 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1C(N)=O ZINC000509375081 561796875 /nfs/dbraw/zinc/79/68/75/561796875.db2.gz JKBVEMDFZIFQCG-UHFFFAOYSA-N -1 1 371.418 2.386 20 0 FEADMM CC[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509438114 561799785 /nfs/dbraw/zinc/79/97/85/561799785.db2.gz SIDPGJQFEDSZSE-SECBINFHSA-N -1 1 370.254 2.219 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)co1 ZINC000332048799 554369607 /nfs/dbraw/zinc/36/96/07/554369607.db2.gz YQZLUSYKZUMOQS-QWRGUYRKSA-N -1 1 366.414 2.475 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c[nH]1 ZINC000509592226 561806597 /nfs/dbraw/zinc/80/65/97/561806597.db2.gz SQNAGJNOJAOCIF-UHFFFAOYSA-N -1 1 373.390 2.488 20 0 FEADMM O=C(COc1ccc(F)cc1Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332223894 554404360 /nfs/dbraw/zinc/40/43/60/554404360.db2.gz WUOZKTNIFUWSQS-VIFPVBQESA-N -1 1 355.753 2.353 20 0 FEADMM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000332381164 554435821 /nfs/dbraw/zinc/43/58/21/554435821.db2.gz AWIDGIKSMBUVCG-GFCCVEGCSA-N -1 1 372.853 2.160 20 0 FEADMM O=C(Cc1ccc(Br)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332408064 554440948 /nfs/dbraw/zinc/44/09/48/554440948.db2.gz PYIMKAQJOVVNEB-NSHDSACASA-N -1 1 366.215 2.486 20 0 FEADMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000510017328 561822125 /nfs/dbraw/zinc/82/21/25/561822125.db2.gz BDVLCFCJYOMSCK-LLVKDONJSA-N -1 1 370.434 2.346 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)sc1C ZINC000510068914 561823910 /nfs/dbraw/zinc/82/39/10/561823910.db2.gz FHZUQKUWXJYWQF-UHFFFAOYSA-N -1 1 350.425 2.288 20 0 FEADMM COc1cccc(-c2nc(=NC(=O)N3CCN(C)[C@@H](C)[C@H]3C)s[n-]2)c1 ZINC000332672947 554494554 /nfs/dbraw/zinc/49/45/54/554494554.db2.gz NKTWTBDNRWHIKN-NWDGAFQWSA-N -1 1 361.471 2.192 20 0 FEADMM CCN(C(=O)CNC(=O)c1ncccc1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000510793143 561846731 /nfs/dbraw/zinc/84/67/31/561846731.db2.gz WRDNVNIVJKQWKV-CQSZACIVSA-N -1 1 371.437 2.005 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000333293493 554599731 /nfs/dbraw/zinc/59/97/31/554599731.db2.gz BEQDZRKODGNFTQ-SUVVTNLASA-N -1 1 354.454 2.489 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@]3(CNC(=O)C3)C2)n[n-]1)c1ccccc1 ZINC000333373986 554607406 /nfs/dbraw/zinc/60/74/06/554607406.db2.gz ALIPGVBRVAVKOK-MGPUTAFESA-N -1 1 351.454 2.756 20 0 FEADMM Cc1nnc([C@@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)[nH]1 ZINC000334000602 554666841 /nfs/dbraw/zinc/66/68/41/554666841.db2.gz RKVJAKFJEUKECQ-SECBINFHSA-N -1 1 351.204 2.211 20 0 FEADMM CO[C@](C)(c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1)C1CC1 ZINC000350452559 554789993 /nfs/dbraw/zinc/78/99/93/554789993.db2.gz KCIFBLXRMIDPFU-OTYXRUKQSA-N -1 1 357.457 2.442 20 0 FEADMM COc1ccc(-c2nc(Cn3cc(Br)cn3)no2)c([O-])c1 ZINC000350567852 554798292 /nfs/dbraw/zinc/79/82/92/554798292.db2.gz NPIJRYBJGOGMRN-UHFFFAOYSA-N -1 1 351.160 2.458 20 0 FEADMM CCn1cc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c(=O)[nH]c1=O ZINC000350609142 554802271 /nfs/dbraw/zinc/80/22/71/554802271.db2.gz MUSQTSHIOFSVIL-UHFFFAOYSA-N -1 1 364.745 2.053 20 0 FEADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)S(=O)(=O)C1CCOCC1 ZINC000350614600 554802700 /nfs/dbraw/zinc/80/27/00/554802700.db2.gz VLRIPYNMBUNGTE-SECBINFHSA-N -1 1 356.375 2.236 20 0 FEADMM COc1cc(-c2noc([C@H]3CC(=O)N(C)C3)n2)cc(Br)c1[O-] ZINC000350774373 554812211 /nfs/dbraw/zinc/81/22/11/554812211.db2.gz IUYMNZWRHGWAKF-QMMMGPOBSA-N -1 1 368.187 2.159 20 0 FEADMM Cc1ccncc1-c1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000350776014 554812670 /nfs/dbraw/zinc/81/26/70/554812670.db2.gz MWGPPUNVFJMICN-UHFFFAOYSA-N -1 1 360.377 2.485 20 0 FEADMM CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000350814231 554815709 /nfs/dbraw/zinc/81/57/09/554815709.db2.gz KERFTYDULPMEDY-VIFPVBQESA-N -1 1 357.819 2.235 20 0 FEADMM Cc1oc(S(=O)(=O)N(C)C)cc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350840443 554817022 /nfs/dbraw/zinc/81/70/22/554817022.db2.gz TUYMAFBFCJEOCZ-UHFFFAOYSA-N -1 1 367.358 2.400 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@H](Cc3ccccc3)OC)no2)co1 ZINC000351148844 554839645 /nfs/dbraw/zinc/83/96/45/554839645.db2.gz VLVADLGWOMHUTE-ZDUSSCGKSA-N -1 1 363.395 2.168 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1cc(F)c(F)cc1F ZINC000360129684 554864028 /nfs/dbraw/zinc/86/40/28/554864028.db2.gz MUWNQXWJJYEBAH-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM O=C(CCOC[C@H]1CCCO1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000361616413 554927012 /nfs/dbraw/zinc/92/70/12/554927012.db2.gz XPRPVAGIRQAHAG-GOSISDBHSA-N -1 1 361.438 2.399 20 0 FEADMM COc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cs2)cc1 ZINC000362127264 554951714 /nfs/dbraw/zinc/95/17/14/554951714.db2.gz GNUJMWPUHPQNIH-LBPRGKRZSA-N -1 1 370.438 2.352 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1-c1cc(C)ccc1C ZINC000362708440 554982385 /nfs/dbraw/zinc/98/23/85/554982385.db2.gz BWSNLUDHMBDIPP-HNNXBMFYSA-N -1 1 365.441 2.330 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(OC[C@H]4CCCO4)CC3)cnc2n1 ZINC000362841178 554992462 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Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1cccnc1 ZINC000520103434 562149196 /nfs/dbraw/zinc/14/91/96/562149196.db2.gz LBRSRNWWWCSQNH-CQSZACIVSA-N -1 1 363.421 2.297 20 0 FEADMM CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000373429209 557691931 /nfs/dbraw/zinc/69/19/31/557691931.db2.gz WPQBGRJCBVMDSU-DZGCQCFKSA-N -1 1 353.378 2.439 20 0 FEADMM O=C([O-])c1ccoc1CC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000374095478 557822678 /nfs/dbraw/zinc/82/26/78/557822678.db2.gz TWQZWUDAROXDDG-UHFFFAOYSA-N -1 1 354.366 2.344 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc3c2CC[N@H+](C)C3)cc1 ZINC000374249791 557850454 /nfs/dbraw/zinc/85/04/54/557850454.db2.gz POCBOPROXXKNTF-UHFFFAOYSA-N -1 1 373.478 2.177 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnn(CC3CCOCC3)c2C)c1 ZINC000374427483 557882815 /nfs/dbraw/zinc/88/28/15/557882815.db2.gz FGTKBAZLMOYDAQ-UHFFFAOYSA-N -1 1 373.409 2.363 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](O)c2ccccc2C1 ZINC000374684985 557916530 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Cc1n[nH]cc1C1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000375996215 558111594 /nfs/dbraw/zinc/11/15/94/558111594.db2.gz UOQKBAAJKMRVNW-UHFFFAOYSA-N -1 1 368.441 2.032 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000376173575 558136518 /nfs/dbraw/zinc/13/65/18/558136518.db2.gz OPTUUFZHFSSOGL-JSGCOSHPSA-N -1 1 356.216 2.175 20 0 FEADMM FC(F)(F)c1nsc(=N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)[n-]1 ZINC000376184522 558138232 /nfs/dbraw/zinc/13/82/32/558138232.db2.gz BIUGPDLUIDWJDP-VIFPVBQESA-N -1 1 374.392 2.316 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC(Cc4ccccn4)CC3)ccnc1-2 ZINC000376633101 558200607 /nfs/dbraw/zinc/20/06/07/558200607.db2.gz SFENHWXVKUWCOF-QJOMJCCJSA-N -1 1 350.426 2.223 20 0 FEADMM CCOC(=O)C1(C)CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000376810105 558224084 /nfs/dbraw/zinc/22/40/84/558224084.db2.gz FHUQZCVKNGACLJ-UHFFFAOYSA-N -1 1 353.444 2.018 20 0 FEADMM COc1ccc(-c2ocnc2C(=O)[N-]c2ncn(-c3ccccn3)n2)cc1 ZINC000377565558 558366140 /nfs/dbraw/zinc/36/61/40/558366140.db2.gz SIJVWSVJUWAIFU-UHFFFAOYSA-N -1 1 362.349 2.578 20 0 FEADMM COc1ccc2cc([C@H](C)C(=O)N3CCO[C@H](c4nn[n-]n4)C3)ccc2c1 ZINC000377597256 558373641 /nfs/dbraw/zinc/37/36/41/558373641.db2.gz AFOYVCRVHUBWOP-SJCJKPOMSA-N -1 1 367.409 2.065 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000377860099 558436816 /nfs/dbraw/zinc/43/68/16/558436816.db2.gz LBEZFFUNKDCZDY-UHFFFAOYSA-N -1 1 357.476 2.314 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000377983858 558457811 /nfs/dbraw/zinc/45/78/11/558457811.db2.gz JAWUATRFAGYREA-OAHLLOKOSA-N -1 1 360.417 2.200 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccc(COc2cccc(Br)c2)o1 ZINC000522928123 562206234 /nfs/dbraw/zinc/20/62/34/562206234.db2.gz WDTIFMNKUFEXSQ-UHFFFAOYSA-N -1 1 364.159 2.387 20 0 FEADMM C[C@H](NC(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1)C(=O)[O-] ZINC000378211531 558503814 /nfs/dbraw/zinc/50/38/14/558503814.db2.gz QFUWMEPVGLGZMI-ZFWWWQNUSA-N -1 1 357.410 2.143 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1(c2ccccc2)CC1 ZINC000523266051 562210347 /nfs/dbraw/zinc/21/03/47/562210347.db2.gz AOFZPBQPEOUAHV-UHFFFAOYSA-N -1 1 360.417 2.488 20 0 FEADMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)ccc1[O-] ZINC000378415161 558551272 /nfs/dbraw/zinc/55/12/72/558551272.db2.gz FPFVKPCEBHMUTE-ABAIWWIYSA-N -1 1 356.216 2.223 20 0 FEADMM CCN(C[C@H](C)OC)C(=O)c1cc(I)ccc1[O-] ZINC000383068974 558604818 /nfs/dbraw/zinc/60/48/18/558604818.db2.gz JMDTYLACEKXBKR-VIFPVBQESA-N -1 1 363.195 2.494 20 0 FEADMM COc1ccc2c(c1)[C@@H](C)CN(C(=O)c1c[n-]c3c(cnn3C)c1=O)CC2 ZINC000378568553 558584869 /nfs/dbraw/zinc/58/48/69/558584869.db2.gz KDZKOLASSFTMDN-LBPRGKRZSA-N -1 1 366.421 2.485 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000392138553 558616132 /nfs/dbraw/zinc/61/61/32/558616132.db2.gz CAMRNWMZNNFXOC-UHFFFAOYSA-N -1 1 361.278 2.409 20 0 FEADMM C[C@@H]1CSC[C@@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000397912759 558625669 /nfs/dbraw/zinc/62/56/69/558625669.db2.gz CBXSWXOASFRENJ-XCBNKYQSSA-N -1 1 363.220 2.478 20 0 FEADMM C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)CSCC(=O)[O-] ZINC000404379276 558631257 /nfs/dbraw/zinc/63/12/57/558631257.db2.gz KRPDCCGWMPMNJG-SOUVJXGZSA-N -1 1 350.484 2.314 20 0 FEADMM O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000407998602 558636505 /nfs/dbraw/zinc/63/65/05/558636505.db2.gz QZEXWTBTIQMHBI-LLVKDONJSA-N -1 1 374.422 2.229 20 0 FEADMM CC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000524042201 562223293 /nfs/dbraw/zinc/22/32/93/562223293.db2.gz ZXKITVHGADKVQH-UHFFFAOYSA-N -1 1 371.440 2.268 20 0 FEADMM C[C@]1([N-]S(=O)(=O)c2ccc(Br)o2)CCO[C@@H]1C1CC1 ZINC000408214824 558657067 /nfs/dbraw/zinc/65/70/67/558657067.db2.gz MRTLNLXVWBZXKT-NEPJUHHUSA-N -1 1 350.234 2.278 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)o1 ZINC000524266611 562226291 /nfs/dbraw/zinc/22/62/91/562226291.db2.gz NABVICGQDJXFQE-UHFFFAOYSA-N -1 1 374.365 2.392 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)N(C)C ZINC000408475357 558681231 /nfs/dbraw/zinc/68/12/31/558681231.db2.gz DHOGERPSGYXMLG-MCIGGMRASA-N -1 1 358.426 2.140 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000524577432 562230573 /nfs/dbraw/zinc/23/05/73/562230573.db2.gz LUSOUKZAJNDUOI-UHFFFAOYSA-N -1 1 362.340 2.482 20 0 FEADMM CCC(=O)c1ccc(OCCCCC(=O)NC(C)(C)c2nn[n-]n2)cc1 ZINC000410073017 558737262 /nfs/dbraw/zinc/73/72/62/558737262.db2.gz RVRFSILSBOYJQW-UHFFFAOYSA-N -1 1 359.430 2.393 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(Cl)cc(Br)c1 ZINC000410281008 558749830 /nfs/dbraw/zinc/74/98/30/558749830.db2.gz DHPMONSNHZQWKN-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)ccc1F ZINC000410397327 558755102 /nfs/dbraw/zinc/75/51/02/558755102.db2.gz HFIQTKLDXYGTRM-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000525410644 562247708 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COc1cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)ccc1Cl ZINC000414448890 559164402 /nfs/dbraw/zinc/16/44/02/559164402.db2.gz AAFHIRAFBNDCFH-NSHDSACASA-N -1 1 359.753 2.348 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NCc2cc(F)cc(F)c2)C1=O ZINC000414656650 559177716 /nfs/dbraw/zinc/17/77/16/559177716.db2.gz KVXFGUQAGLHHJQ-IRXDYDNUSA-N -1 1 360.360 2.481 20 0 FEADMM Cc1cccc(-c2n[nH]cc2CN[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000414665584 559178233 /nfs/dbraw/zinc/17/82/33/559178233.db2.gz UQBACFMSWKHNIM-FUHWJXTLSA-N -1 1 370.453 2.185 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCOc1ccc(Cl)cc1C ZINC000416134841 559293580 /nfs/dbraw/zinc/29/35/80/559293580.db2.gz PLSXMUGNIABRAQ-UHFFFAOYSA-N -1 1 367.789 2.057 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000416165683 559295700 /nfs/dbraw/zinc/29/57/00/559295700.db2.gz HJRFWTMSZFKISH-PELKAZGASA-N -1 1 367.789 2.056 20 0 FEADMM C[C@@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)[C@H](C)S(C)(=O)=O ZINC000416180732 559296745 /nfs/dbraw/zinc/29/67/45/559296745.db2.gz QBSNOOIVMQWDHX-SFYZADRCSA-N -1 1 361.876 2.799 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000416188499 559297191 /nfs/dbraw/zinc/29/71/91/559297191.db2.gz ITFCGRVDXHQQIQ-SNVBAGLBSA-N -1 1 371.315 2.190 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](c1ccc(F)cc1F)C(C)C ZINC000416190770 559297452 /nfs/dbraw/zinc/29/74/52/559297452.db2.gz MCWOWIJMLPDSOD-NSHDSACASA-N -1 1 353.325 2.302 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000416207695 559298356 /nfs/dbraw/zinc/29/83/56/559298356.db2.gz DZGOECZRAVGPNV-CYBMUJFWSA-N -1 1 372.425 2.467 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000416211657 559298703 /nfs/dbraw/zinc/29/87/03/559298703.db2.gz WJNVDSPLKLIRQP-OLZOCXBDSA-N -1 1 373.409 2.010 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000416220965 559299160 /nfs/dbraw/zinc/29/91/60/559299160.db2.gz 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ZINC000420672199 559496925 /nfs/dbraw/zinc/49/69/25/559496925.db2.gz XFPINKZNPPOQPI-KBPBESRZSA-N -1 1 368.459 2.173 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1F ZINC000420716164 559500148 /nfs/dbraw/zinc/50/01/48/559500148.db2.gz BSYSLMQTTCSSJW-CYBMUJFWSA-N -1 1 369.336 2.160 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC(F)F)c1ccccc1 ZINC000420739813 559501656 /nfs/dbraw/zinc/50/16/56/559501656.db2.gz QGRBNJBBOCXKHW-LBPRGKRZSA-N -1 1 373.381 2.261 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Br)c[nH]c1=O ZINC000421168605 559528310 /nfs/dbraw/zinc/52/83/10/559528310.db2.gz YPLSQCFJMFUBLX-JTQLQIEISA-N -1 1 367.265 2.353 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@]34C[C@H]3CCC4)c2)n1 ZINC000421562218 559545301 /nfs/dbraw/zinc/54/53/01/559545301.db2.gz QQWOETTWMATRHL-AUUYWEPGSA-N -1 1 354.410 2.455 20 0 FEADMM COC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(OC)cc3[O-])nc2C1 ZINC000421630254 559547285 /nfs/dbraw/zinc/54/72/85/559547285.db2.gz IFHZEBOGDWFRSQ-VIFPVBQESA-N -1 1 362.407 2.388 20 0 FEADMM CC(=O)CN(CC(C)C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000421883591 559555510 /nfs/dbraw/zinc/55/55/10/559555510.db2.gz DZEXWGZLUUWHPC-UHFFFAOYSA-N -1 1 358.460 2.044 20 0 FEADMM C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000421925781 559556934 /nfs/dbraw/zinc/55/69/34/559556934.db2.gz PKILFKZLRFHWRX-VXGBXAGGSA-N -1 1 374.441 2.256 20 0 FEADMM CC[C@H](C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000422133433 559567244 /nfs/dbraw/zinc/56/72/44/559567244.db2.gz IPQIUPZSSKFKMR-VIFPVBQESA-N -1 1 353.271 2.434 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)CCOCC2CC2)cc2[nH]ccc21 ZINC000424060677 559653103 /nfs/dbraw/zinc/65/31/03/559653103.db2.gz DDXMXAPLISSIAH-UHFFFAOYSA-N -1 1 352.412 2.123 20 0 FEADMM CS(=O)(=O)c1cccc(OCCN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000424265438 559660066 /nfs/dbraw/zinc/66/00/66/559660066.db2.gz VNSFMYXXZHBNRT-CQSZACIVSA-N -1 1 355.456 2.188 20 0 FEADMM CCOc1cc(C(=O)N2CCC3(CNC(=O)N3C)CC2)cc(Cl)c1[O-] ZINC000425122488 559688085 /nfs/dbraw/zinc/68/80/85/559688085.db2.gz RIBKIJNEEYYRPG-UHFFFAOYSA-N -1 1 367.833 2.074 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCOCC1CC1)c1cccc(C)c1C ZINC000425177097 559689748 /nfs/dbraw/zinc/68/97/48/559689748.db2.gz ONZIKXJUMLDHQW-QGZVFWFLSA-N -1 1 369.483 2.254 20 0 FEADMM Cc1onc(-c2cccnc2)c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293545 559694984 /nfs/dbraw/zinc/69/49/84/559694984.db2.gz BYZXQIYEXSBWND-LBPRGKRZSA-N -1 1 355.354 2.153 20 0 FEADMM CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cn1 ZINC000425294611 559695115 /nfs/dbraw/zinc/69/51/15/559695115.db2.gz DQUMLBURSFWJSE-LBPRGKRZSA-N -1 1 373.413 2.175 20 0 FEADMM COC(=O)c1c(C)c(NC(=O)c2cnc3c(cnn3C)c2O)ccc1F ZINC000426808766 559742267 /nfs/dbraw/zinc/74/22/67/559742267.db2.gz NXTQFXDBTIDVRN-UHFFFAOYSA-N -1 1 358.329 2.160 20 0 FEADMM COC(=O)c1c(F)ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1C ZINC000426808766 559742268 /nfs/dbraw/zinc/74/22/68/559742268.db2.gz NXTQFXDBTIDVRN-UHFFFAOYSA-N -1 1 358.329 2.160 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)C1CCCCC1 ZINC000426827701 559742561 /nfs/dbraw/zinc/74/25/61/559742561.db2.gz JESXEYJSPYYODH-CYBMUJFWSA-N -1 1 351.472 2.959 20 0 FEADMM Cc1cnc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000427455769 559755864 /nfs/dbraw/zinc/75/58/64/559755864.db2.gz DOOJTCZWZGSVSR-UHFFFAOYSA-N -1 1 353.422 2.378 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc2cccnc21 ZINC000427641577 559759568 /nfs/dbraw/zinc/75/95/68/559759568.db2.gz IRUJDJUCYNIMKL-UHFFFAOYSA-N -1 1 357.391 2.143 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)c1 ZINC000427965496 559766526 /nfs/dbraw/zinc/76/65/26/559766526.db2.gz MWYQIJAGPYYKGO-UHFFFAOYSA-N -1 1 368.393 2.434 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCCCCc1ccc(F)cc1 ZINC000428140150 559770308 /nfs/dbraw/zinc/77/03/08/559770308.db2.gz NARCMNPAHGAKLK-UHFFFAOYSA-N -1 1 359.401 2.185 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@H](CO)CC(F)F)sc1Br ZINC000428370892 559774002 /nfs/dbraw/zinc/77/40/02/559774002.db2.gz SKHLYSAOAIDYAV-LURJTMIESA-N -1 1 364.233 2.113 20 0 FEADMM C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cc(Cl)ccc1Cl ZINC000428677319 559780997 /nfs/dbraw/zinc/78/09/97/559780997.db2.gz DRNCBIXDIBAWOK-ZETCQYMHSA-N -1 1 352.181 2.215 20 0 FEADMM CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(CC)cc(=O)[n-]2)CC1 ZINC000428698064 559781402 /nfs/dbraw/zinc/78/14/02/559781402.db2.gz DLNLFPYAVAXDEX-LLVKDONJSA-N -1 1 367.471 2.027 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000428794148 559783588 /nfs/dbraw/zinc/78/35/88/559783588.db2.gz MPLSYQBMZIYSBP-JTQLQIEISA-N -1 1 351.790 2.656 20 0 FEADMM COc1cc(C(=O)N(C)Cc2ncnn2CC(F)F)cc(Cl)c1[O-] ZINC000428836589 559784503 /nfs/dbraw/zinc/78/45/03/559784503.db2.gz BYNCFJSDECYRLU-UHFFFAOYSA-N -1 1 360.748 2.183 20 0 FEADMM COc1ccccc1-c1ncc(CNC2(c3nn[n-]n3)CCCC2)cn1 ZINC000430064811 559812259 /nfs/dbraw/zinc/81/22/59/559812259.db2.gz IZMBKERSGJPUMK-UHFFFAOYSA-N -1 1 351.414 2.224 20 0 FEADMM COc1ccccc1-c1ncc(CNC2(c3nnn[n-]3)CCCC2)cn1 ZINC000430064811 559812260 /nfs/dbraw/zinc/81/22/60/559812260.db2.gz IZMBKERSGJPUMK-UHFFFAOYSA-N -1 1 351.414 2.224 20 0 FEADMM CN(CCCC(=O)[O-])CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000430662984 559825883 /nfs/dbraw/zinc/82/58/83/559825883.db2.gz SVPDVJSTYLJYNV-UHFFFAOYSA-N -1 1 356.426 2.485 20 0 FEADMM CCn1nc(C)c([N-]S(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)c1C ZINC000430978501 559831837 /nfs/dbraw/zinc/83/18/37/559831837.db2.gz PEULRNMEURTGSG-OAHLLOKOSA-N -1 1 365.455 2.218 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OC ZINC000431312169 559837406 /nfs/dbraw/zinc/83/74/06/559837406.db2.gz IDMBFFWMXOGVEM-ZANVPECISA-N -1 1 351.827 2.486 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c1 ZINC000432642235 559862382 /nfs/dbraw/zinc/86/23/82/559862382.db2.gz LHHOMSPAUNROAT-UHFFFAOYSA-N -1 1 362.407 2.024 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)[n-]1 ZINC000432661146 559862577 /nfs/dbraw/zinc/86/25/77/559862577.db2.gz VBGOMMRGHSGMSX-QMMMGPOBSA-N -1 1 366.374 2.164 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 ZINC000432661146 559862578 /nfs/dbraw/zinc/86/25/78/559862578.db2.gz VBGOMMRGHSGMSX-QMMMGPOBSA-N -1 1 366.374 2.164 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC000435129867 559916717 /nfs/dbraw/zinc/91/67/17/559916717.db2.gz MQOLIVLQDKDZOB-OAHLLOKOSA-N -1 1 358.419 2.294 20 0 FEADMM CCOC(=O)[C@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)c1ccccc1 ZINC000435209800 559917931 /nfs/dbraw/zinc/91/79/31/559917931.db2.gz YMWZRUUVFCGTAX-CQSZACIVSA-N -1 1 368.480 2.385 20 0 FEADMM CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435437351 559923043 /nfs/dbraw/zinc/92/30/43/559923043.db2.gz JIVDUJGCQSHAPQ-UHFFFAOYSA-N -1 1 357.234 2.326 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2CCCC(C)(C)C2)cc(C(=O)[O-])c1C ZINC000435467030 559923782 /nfs/dbraw/zinc/92/37/82/559923782.db2.gz BRXNTLHMQLPQBC-UHFFFAOYSA-N -1 1 368.499 2.402 20 0 FEADMM O=S(=O)([N-]c1ccccc1F)c1ccccc1S(=O)(=O)NC1CC1 ZINC000436015737 559933751 /nfs/dbraw/zinc/93/37/51/559933751.db2.gz WROQRZSPBJGENK-UHFFFAOYSA-N -1 1 370.427 2.067 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)N(C)c2ccccc2C(=O)OC)n1 ZINC000436201507 559937382 /nfs/dbraw/zinc/93/73/82/559937382.db2.gz ICMJSBJPPXFLIY-UHFFFAOYSA-N -1 1 361.423 2.286 20 0 FEADMM CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000436431639 559941551 /nfs/dbraw/zinc/94/15/51/559941551.db2.gz LLLLGJBSFDULOF-MRVPVSSYSA-N -1 1 356.370 2.003 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1 ZINC000436475998 559942404 /nfs/dbraw/zinc/94/24/04/559942404.db2.gz IFNLNSHBSRNVAS-UHFFFAOYSA-N -1 1 360.420 2.105 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cn(-c3ccc(C)cc3)nn2)c1 ZINC000436503524 559943537 /nfs/dbraw/zinc/94/35/37/559943537.db2.gz HBOMTEPKLNTSDR-UHFFFAOYSA-N -1 1 352.350 2.320 20 0 FEADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)NCc1ccco1 ZINC000436540935 559944902 /nfs/dbraw/zinc/94/49/02/559944902.db2.gz UVZDVRSDJJTACT-VIFPVBQESA-N -1 1 367.199 2.182 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC000436559417 559945330 /nfs/dbraw/zinc/94/53/30/559945330.db2.gz VUDXIFUJSVLYKS-QGZVFWFLSA-N -1 1 357.406 2.491 20 0 FEADMM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(F)ccc1[O-] ZINC000436561910 559945373 /nfs/dbraw/zinc/94/53/73/559945373.db2.gz LFRZQALLSIUZTE-INIZCTEOSA-N -1 1 355.369 2.100 20 0 FEADMM COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c([O-])c1 ZINC000436650532 559947733 /nfs/dbraw/zinc/94/77/33/559947733.db2.gz WQIXKUBGIIRAMR-UHFFFAOYSA-N -1 1 366.320 2.396 20 0 FEADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000436661985 559947990 /nfs/dbraw/zinc/94/79/90/559947990.db2.gz AEFRHINRNJNCAL-KRWDZBQOSA-N -1 1 352.390 2.229 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1[O-] ZINC000436749540 559950741 /nfs/dbraw/zinc/95/07/41/559950741.db2.gz YYMJHKRRLYSBHD-UHFFFAOYSA-N -1 1 359.407 2.115 20 0 FEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436774446 559951667 /nfs/dbraw/zinc/95/16/67/559951667.db2.gz WMIAUKTXIKYYNY-GFCCVEGCSA-N -1 1 361.419 2.198 20 0 FEADMM COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000436777212 559951753 /nfs/dbraw/zinc/95/17/53/559951753.db2.gz BTNQRWMDVXJUGB-PXAZEXFGSA-N -1 1 361.369 2.096 20 0 FEADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cccc1N1C(=O)N[C@@H](C)C1=O ZINC000436782315 559951924 /nfs/dbraw/zinc/95/19/24/559951924.db2.gz XCZFDDFCTWLLMR-JTQLQIEISA-N -1 1 355.350 2.103 20 0 FEADMM CS(=O)(=O)c1cccnc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436822999 559953148 /nfs/dbraw/zinc/95/31/48/559953148.db2.gz RUQRSLFRCIVRPH-UHFFFAOYSA-N -1 1 374.340 2.140 20 0 FEADMM CNC(=O)c1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cn1 ZINC000436892871 559955538 /nfs/dbraw/zinc/95/55/38/559955538.db2.gz LSLSOKZOFWWWDM-UHFFFAOYSA-N -1 1 364.199 2.470 20 0 FEADMM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436911223 559956229 /nfs/dbraw/zinc/95/62/29/559956229.db2.gz FMPVDEHFWSJAKS-QMMMGPOBSA-N -1 1 365.821 2.320 20 0 FEADMM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436911223 559956230 /nfs/dbraw/zinc/95/62/30/559956230.db2.gz FMPVDEHFWSJAKS-QMMMGPOBSA-N -1 1 365.821 2.320 20 0 FEADMM O=C(NCc1cc2c(cc1OC(F)F)OCO2)C(=O)c1ccc([O-])cc1 ZINC000436946181 559957123 /nfs/dbraw/zinc/95/71/23/559957123.db2.gz WGWMGLDZUTWHKA-UHFFFAOYSA-N -1 1 365.288 2.221 20 0 FEADMM CCOC(=O)c1sc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)nc1C ZINC000436946976 559957292 /nfs/dbraw/zinc/95/72/92/559957292.db2.gz YKQTZVQMXJETRR-SNVBAGLBSA-N -1 1 362.407 2.394 20 0 FEADMM O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccc(O)cc1[O-] ZINC000436986598 559958591 /nfs/dbraw/zinc/95/85/91/559958591.db2.gz KKJJECQUFTWEDD-UHFFFAOYSA-N -1 1 354.362 2.389 20 0 FEADMM O=C(CCOC1CCOCC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436986335 559958648 /nfs/dbraw/zinc/95/86/48/559958648.db2.gz HJCKVGRUYCGNGH-UHFFFAOYSA-N -1 1 366.805 2.355 20 0 FEADMM O=C(CCOC1CCOCC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436986335 559958649 /nfs/dbraw/zinc/95/86/49/559958649.db2.gz HJCKVGRUYCGNGH-UHFFFAOYSA-N -1 1 366.805 2.355 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1 ZINC000438755837 559983088 /nfs/dbraw/zinc/98/30/88/559983088.db2.gz HHZMQQYEKKUWQK-JOCHJYFZSA-N -1 1 353.465 2.414 20 0 FEADMM CCc1[nH][nH]c(=NC(=O)c2cncc([O-])c2)c1-c1ccc2c(c1)OCO2 ZINC000440460635 560011435 /nfs/dbraw/zinc/01/14/35/560011435.db2.gz BHIFMQWBKFVVPI-UHFFFAOYSA-N -1 1 352.350 2.721 20 0 FEADMM Cc1nc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)sc1C ZINC000440555680 560014265 /nfs/dbraw/zinc/01/42/65/560014265.db2.gz RWUXBTCDGAAKAI-UHFFFAOYSA-N -1 1 369.450 2.485 20 0 FEADMM CCc1nc(C(C)(C)NC(=O)CCc2c(C)nc(SC)[n-]c2=O)no1 ZINC000441736901 560038342 /nfs/dbraw/zinc/03/83/42/560038342.db2.gz FGHKYAOOBMKIBY-UHFFFAOYSA-N -1 1 365.459 2.142 20 0 FEADMM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000442743282 560055741 /nfs/dbraw/zinc/05/57/41/560055741.db2.gz BLKCLXVEKCGPMK-SNPRPXQTSA-N -1 1 355.456 2.166 20 0 FEADMM COc1cc(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc(Cl)c1[O-] ZINC000443119880 560071509 /nfs/dbraw/zinc/07/15/09/560071509.db2.gz SREQHDFSUIKFSS-UHFFFAOYSA-N -1 1 369.849 2.320 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)[C@H](C)C1CCCCC1 ZINC000443347518 560081493 /nfs/dbraw/zinc/08/14/93/560081493.db2.gz XWMOJHWZSTURBL-NWDGAFQWSA-N -1 1 357.476 2.470 20 0 FEADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000444051915 560100031 /nfs/dbraw/zinc/10/00/31/560100031.db2.gz PFHAIJOTVGQWRA-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM CCCc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1-c1cccc(C)c1 ZINC000444384222 560112729 /nfs/dbraw/zinc/11/27/29/560112729.db2.gz ROPBNAZRHBWDML-UHFFFAOYSA-N -1 1 351.414 2.065 20 0 FEADMM COc1ccc(-c2nc(CC(=O)NCCc3ccccc3)no2)c([O-])c1 ZINC000445319284 560132020 /nfs/dbraw/zinc/13/20/20/560132020.db2.gz HWXRKVGXRPDBEF-UHFFFAOYSA-N -1 1 353.378 2.352 20 0 FEADMM O=C1N[C@H](C2CC2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445889305 560136241 /nfs/dbraw/zinc/13/62/41/560136241.db2.gz YTWIMTDMMHYUBU-MRXNPFEDSA-N -1 1 371.418 2.322 20 0 FEADMM CC(=O)Nc1ccncc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000446773716 560151475 /nfs/dbraw/zinc/15/14/75/560151475.db2.gz CYKLXEHUXRJHFD-UHFFFAOYSA-N -1 1 357.794 2.196 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)n[nH]1 ZINC000446784952 560151727 /nfs/dbraw/zinc/15/17/27/560151727.db2.gz KYMGWXOVXKHCLF-UHFFFAOYSA-N -1 1 355.391 2.479 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)c1 ZINC000447274150 560159141 /nfs/dbraw/zinc/15/91/41/560159141.db2.gz LHSOXOYNKKRAGY-UHFFFAOYSA-N -1 1 374.418 2.357 20 0 FEADMM CC(C)(NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nn[n-]n1 ZINC000447523154 560163803 /nfs/dbraw/zinc/16/38/03/560163803.db2.gz SGVKITXMDMKVJQ-UHFFFAOYSA-N -1 1 360.324 2.330 20 0 FEADMM CCn1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1=O ZINC000447618809 560165388 /nfs/dbraw/zinc/16/53/88/560165388.db2.gz NWLZYQRGTQRLGF-UHFFFAOYSA-N -1 1 351.200 2.266 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cccc(C)n3)c2)n1 ZINC000447672070 560166383 /nfs/dbraw/zinc/16/63/83/560166383.db2.gz OVAYCQBHDAHXBO-UHFFFAOYSA-N -1 1 365.393 2.282 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC(C)(C)OC)c2)n1 ZINC000447689148 560167197 /nfs/dbraw/zinc/16/71/97/560167197.db2.gz OKUZNSGVMVIOTN-UHFFFAOYSA-N -1 1 360.414 2.080 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccncc3C)c2)n1 ZINC000447686850 560167231 /nfs/dbraw/zinc/16/72/31/560167231.db2.gz RXBYJCGCGWFVKB-UHFFFAOYSA-N -1 1 365.393 2.282 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)c1 ZINC000448037974 560176478 /nfs/dbraw/zinc/17/64/78/560176478.db2.gz HOAKATCCSBUUOQ-UHFFFAOYSA-N -1 1 360.391 2.411 20 0 FEADMM COc1cc(CN2CCN(c3nc(=N)[n-]s3)CC2)cc2ccccc21 ZINC000449044799 560214060 /nfs/dbraw/zinc/21/40/60/560214060.db2.gz FVLWOKJYYHBSEO-UHFFFAOYSA-N -1 1 355.467 2.604 20 0 FEADMM CCOC(=O)c1csc(=N[C@@H](C)CN2CCN(c3ccccc3)CC2)[n-]1 ZINC000450350288 560259393 /nfs/dbraw/zinc/25/93/93/560259393.db2.gz QTWGAQYSDJKANA-HNNXBMFYSA-N -1 1 374.510 2.942 20 0 FEADMM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1cc2cc(F)ccc2o1 ZINC000451005388 560282034 /nfs/dbraw/zinc/28/20/34/560282034.db2.gz YEFNRSPQGSDNNQ-AWEZNQCLSA-N -1 1 357.403 2.436 20 0 FEADMM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1sccc1Cl)CC2 ZINC000451215939 560293622 /nfs/dbraw/zinc/29/36/22/560293622.db2.gz KFWLGLLBZOVKCF-SECBINFHSA-N -1 1 360.892 2.410 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(C)(C)OC(C)C)c2)n1 ZINC000451288193 560298383 /nfs/dbraw/zinc/29/83/83/560298383.db2.gz RYOQFQBLUXUTLG-UHFFFAOYSA-N -1 1 374.441 2.468 20 0 FEADMM CC(C)N(CCN(C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451340402 560301360 /nfs/dbraw/zinc/30/13/60/560301360.db2.gz KXFPHNHKXGTPCS-UHFFFAOYSA-N -1 1 354.394 2.372 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]2CC)c(F)c1 ZINC000451576316 560315752 /nfs/dbraw/zinc/31/57/52/560315752.db2.gz BKFSXKMIPFMDSH-LBPRGKRZSA-N -1 1 364.464 2.150 20 0 FEADMM CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCCCC1 ZINC000451778550 560327999 /nfs/dbraw/zinc/32/79/99/560327999.db2.gz YHOUGUNDWSVMHD-UHFFFAOYSA-N -1 1 364.389 2.173 20 0 FEADMM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000451794200 560328929 /nfs/dbraw/zinc/32/89/29/560328929.db2.gz XCCMEZKEIRXTHW-UFBFGSQYSA-N -1 1 372.245 2.462 20 0 FEADMM O=S(=O)([N-][C@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Br)o1 ZINC000451854266 560332601 /nfs/dbraw/zinc/33/26/01/560332601.db2.gz MZQQLBYDORIYJH-MFKMUULPSA-N -1 1 364.261 2.118 20 0 FEADMM O=S(=O)([N-][C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Br)o1 ZINC000451854267 560332611 /nfs/dbraw/zinc/33/26/11/560332611.db2.gz MZQQLBYDORIYJH-ZWNOBZJWSA-N -1 1 364.261 2.118 20 0 FEADMM CCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)o1 ZINC000451954737 560340445 /nfs/dbraw/zinc/34/04/45/560340445.db2.gz BVNANCBRUGTOFI-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)o1 ZINC000451960664 560340730 /nfs/dbraw/zinc/34/07/30/560340730.db2.gz QJRDVVCRKIMDHA-UHFFFAOYSA-N -1 1 356.375 2.031 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3cccs3)C2)o1 ZINC000451964380 560340885 /nfs/dbraw/zinc/34/08/85/560340885.db2.gz KFFYYTOBELWMEA-PWSUYJOCSA-N -1 1 371.436 2.326 20 0 FEADMM C[C@H](F)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452150252 560353807 /nfs/dbraw/zinc/35/38/07/560353807.db2.gz NHZJBJYBNJHLJM-QMMMGPOBSA-N -1 1 357.234 2.136 20 0 FEADMM CC(C)Cc1n[n-]c(=NC(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)s1 ZINC000454223087 560435161 /nfs/dbraw/zinc/43/51/61/560435161.db2.gz JZLCNIZETUJVHE-CYBMUJFWSA-N -1 1 371.470 2.808 20 0 FEADMM COc1cc(NC(=O)COCC2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000454660096 560453435 /nfs/dbraw/zinc/45/34/35/560453435.db2.gz MOHJEOFSIGYZHW-UHFFFAOYSA-N -1 1 356.444 2.212 20 0 FEADMM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@@H]1CCCC[C@H]1OC ZINC000456192721 560510442 /nfs/dbraw/zinc/51/04/42/560510442.db2.gz NIVHMWIMYHGBRI-ZIAGYGMSSA-N -1 1 372.487 2.388 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(CO)C3)c2)c1 ZINC000456246388 560513169 /nfs/dbraw/zinc/51/31/69/560513169.db2.gz RTDHIOZVGJEZEL-UHFFFAOYSA-N -1 1 374.462 2.250 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)o1 ZINC000456444035 560520794 /nfs/dbraw/zinc/52/07/94/560520794.db2.gz HQRJSHGAGGHYGA-VIFPVBQESA-N -1 1 374.340 2.022 20 0 FEADMM COCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCC1 ZINC000456856454 560534487 /nfs/dbraw/zinc/53/44/87/560534487.db2.gz KHYMZCQVOJYQNO-UHFFFAOYSA-N -1 1 372.487 2.293 20 0 FEADMM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000456914099 560537720 /nfs/dbraw/zinc/53/77/20/560537720.db2.gz GTVCXRIRWJANGB-LLVKDONJSA-N -1 1 359.348 2.287 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000457226596 560556743 /nfs/dbraw/zinc/55/67/43/560556743.db2.gz GCMGNQKAMMHFDC-KRWDZBQOSA-N -1 1 367.471 2.406 20 0 FEADMM Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000457702105 560582731 /nfs/dbraw/zinc/58/27/31/560582731.db2.gz BGDVXNHCGGBBLI-GFCCVEGCSA-N -1 1 359.430 2.339 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)COC(C)(C)CC)c2)n1 ZINC000457772907 560586849 /nfs/dbraw/zinc/58/68/49/560586849.db2.gz WGHLLTVXHVWSIT-UHFFFAOYSA-N -1 1 374.441 2.470 20 0 FEADMM Cc1cnc(C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000460135347 560736270 /nfs/dbraw/zinc/73/62/70/560736270.db2.gz QYVIXPHCXNFAQT-MRXNPFEDSA-N -1 1 367.327 2.245 20 0 FEADMM Cc1cnc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c([O-])c1 ZINC000460187575 560737406 /nfs/dbraw/zinc/73/74/06/560737406.db2.gz JENZIUBVTKZEIN-MRXNPFEDSA-N -1 1 353.422 2.059 20 0 FEADMM COc1cc(C(=O)NCCS(=O)(=O)c2ccccc2)cc(Cl)c1[O-] ZINC000460198264 560737747 /nfs/dbraw/zinc/73/77/47/560737747.db2.gz MVHZXQCBZRQRMW-UHFFFAOYSA-N -1 1 369.826 2.258 20 0 FEADMM Cc1cccc([C@@H](CNC(=O)c2ncc(C)cc2[O-])N2CCOCC2)c1 ZINC000460295647 560740819 /nfs/dbraw/zinc/74/08/19/560740819.db2.gz JHPFOEGJTLHGHF-QGZVFWFLSA-N -1 1 355.438 2.207 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([O-])c1 ZINC000460299571 560741133 /nfs/dbraw/zinc/74/11/33/560741133.db2.gz YLIPIPUIPSLZGY-INIZCTEOSA-N -1 1 359.401 2.038 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000461451088 560771940 /nfs/dbraw/zinc/77/19/40/560771940.db2.gz CFMUXEAKFCVLLI-IUCAKERBSA-N -1 1 366.361 2.217 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000461454829 560772291 /nfs/dbraw/zinc/77/22/91/560772291.db2.gz WLQVIYOTVDFWLY-UHFFFAOYSA-N -1 1 372.805 2.274 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3c[nH]cn3)cc2)cc1 ZINC000461465163 560772710 /nfs/dbraw/zinc/77/27/10/560772710.db2.gz SKIHXFRRLZOJCL-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000461464856 560772740 /nfs/dbraw/zinc/77/27/40/560772740.db2.gz CBTCNPSOSZCOIS-UHFFFAOYSA-N -1 1 370.471 2.223 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc(OC)c2)c1 ZINC000461463666 560772791 /nfs/dbraw/zinc/77/27/91/560772791.db2.gz KXVGLHXGCPZFGN-LLVKDONJSA-N -1 1 364.423 2.051 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(F)cccc2Cl)c1 ZINC000461466579 560773205 /nfs/dbraw/zinc/77/32/05/560773205.db2.gz WEWVAFULYZOGFJ-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000461638486 560778392 /nfs/dbraw/zinc/77/83/92/560778392.db2.gz ZKBBOXQLWVRIKH-WDEREUQCSA-N -1 1 350.220 2.117 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000462287242 560804518 /nfs/dbraw/zinc/80/45/18/560804518.db2.gz QTHDCWJLFLMDOE-LLVKDONJSA-N -1 1 373.333 2.147 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2OC)o1 ZINC000462305739 560805173 /nfs/dbraw/zinc/80/51/73/560805173.db2.gz MEPZLIDAPOIPRG-PBHICJAKSA-N -1 1 365.407 2.083 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)o1 ZINC000462309868 560805330 /nfs/dbraw/zinc/80/53/30/560805330.db2.gz FCYUSVJICPPGQS-NSHDSACASA-N -1 1 373.452 2.356 20 0 FEADMM COC[C@](C)(NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(F)(F)F ZINC000464504483 560843634 /nfs/dbraw/zinc/84/36/34/560843634.db2.gz DKQGITUSGOKDFL-ZDUSSCGKSA-N -1 1 367.393 2.229 20 0 FEADMM COc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)ccc1[N-]S(C)(=O)=O ZINC000465251981 560861409 /nfs/dbraw/zinc/86/14/09/560861409.db2.gz OFXGMDVCJRCFHV-TXEJJXNPSA-N -1 1 353.444 2.331 20 0 FEADMM Cc1c(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cnn1C ZINC000465268756 560861704 /nfs/dbraw/zinc/86/17/04/560861704.db2.gz VUKRKQXVYVZXCC-UHFFFAOYSA-N -1 1 352.398 2.166 20 0 FEADMM COC[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000466832308 560896956 /nfs/dbraw/zinc/89/69/56/560896956.db2.gz PFCDTIGQPUMJBH-ZDUSSCGKSA-N -1 1 372.487 2.245 20 0 FEADMM COc1ccc(NC(=O)c2cnc3cnccc3c2)cc1[N-]S(C)(=O)=O ZINC000467013595 560901393 /nfs/dbraw/zinc/90/13/93/560901393.db2.gz NRIOJQGZSAIMNO-UHFFFAOYSA-N -1 1 372.406 2.262 20 0 FEADMM CNC(=O)Cc1noc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000467203894 560906322 /nfs/dbraw/zinc/90/63/22/560906322.db2.gz BLXXCDMVIQIKQG-UHFFFAOYSA-N -1 1 371.422 2.121 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)c1nn[n-]n1 ZINC000467653321 560914434 /nfs/dbraw/zinc/91/44/34/560914434.db2.gz MFWVSORNVYAHJT-YGRLFVJLSA-N -1 1 362.459 2.296 20 0 FEADMM COc1cc(NC(=O)NC[C@@H](OC)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000467716288 560915567 /nfs/dbraw/zinc/91/55/67/560915567.db2.gz VUUITHJYEZIJGP-CQSZACIVSA-N -1 1 373.475 2.249 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1 ZINC000467757407 560916581 /nfs/dbraw/zinc/91/65/81/560916581.db2.gz DNULQQPWTGFPFX-UHFFFAOYSA-N -1 1 364.379 2.240 20 0 FEADMM C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000468042451 560921488 /nfs/dbraw/zinc/92/14/88/560921488.db2.gz LNEIKWJUUFZWPX-GDBMZVCRSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000468042452 560921562 /nfs/dbraw/zinc/92/15/62/560921562.db2.gz LNEIKWJUUFZWPX-GOEBONIOSA-N -1 1 374.462 2.330 20 0 FEADMM COc1cc(NC(=O)c2cnn(C(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000468309045 560926791 /nfs/dbraw/zinc/92/67/91/560926791.db2.gz NKTKPZFBKSEZQP-UHFFFAOYSA-N -1 1 352.416 2.096 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC000468519659 560931956 /nfs/dbraw/zinc/93/19/56/560931956.db2.gz UFSUZPAEMTZVSR-UHFFFAOYSA-N -1 1 369.468 2.226 20 0 FEADMM Cc1sc2nc(C)nc(N3CCN(c4nc(=N)[n-]s4)CC3)c2c1C ZINC000468862976 560940701 /nfs/dbraw/zinc/94/07/01/560940701.db2.gz IAWNWYIXLJCGFB-UHFFFAOYSA-N -1 1 361.500 2.377 20 0 FEADMM COc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)ccc1F ZINC000469899884 560968439 /nfs/dbraw/zinc/96/84/39/560968439.db2.gz UFUITANPWNZYJS-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3OC)o1 ZINC000470608489 560985818 /nfs/dbraw/zinc/98/58/18/560985818.db2.gz USCWVRNNCUGXRV-ZDUSSCGKSA-N -1 1 365.407 2.431 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000470972888 560995479 /nfs/dbraw/zinc/99/54/79/560995479.db2.gz BDEQUMSJKCDNHT-UHFFFAOYSA-N -1 1 354.439 2.350 20 0 FEADMM Cc1cc(CCC(=O)NC2(c3nn[n-]n3)CC2)ccc1Br ZINC000470986890 560995946 /nfs/dbraw/zinc/99/59/46/560995946.db2.gz VZMNCIRSZDYYTB-UHFFFAOYSA-N -1 1 350.220 2.009 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@@](C)(OC)C2)ccc1[N-]S(C)(=O)=O ZINC000471272580 561001720 /nfs/dbraw/zinc/00/17/20/561001720.db2.gz KLVLICCRGDVYTP-MRXNPFEDSA-N -1 1 371.459 2.100 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1cccn1C ZINC000472967443 561039029 /nfs/dbraw/zinc/03/90/29/561039029.db2.gz LVKVFJOXUQORFT-UHFFFAOYSA-N -1 1 365.437 2.482 20 0 FEADMM Cn1[n-]c(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)nc1=O ZINC000473184020 561043670 /nfs/dbraw/zinc/04/36/70/561043670.db2.gz SCZDJJOZMNKMJB-GFCCVEGCSA-N -1 1 358.389 2.417 20 0 FEADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1 ZINC000473494349 561051124 /nfs/dbraw/zinc/05/11/24/561051124.db2.gz HAPCJNVJSJENNA-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473655892 561055158 /nfs/dbraw/zinc/05/51/58/561055158.db2.gz FQKIJRQLJVJGEU-DZGCQCFKSA-N -1 1 357.385 2.109 20 0 FEADMM CN(Cc1ccnn1C)C(=O)c1ccc(I)c([O-])c1 ZINC000473671866 561055544 /nfs/dbraw/zinc/05/55/44/561055544.db2.gz YLUCTIUOEPKTHU-UHFFFAOYSA-N -1 1 371.178 2.003 20 0 FEADMM O=S(=O)([N-]CCN1CCSCC1)c1ccc(Cl)c(F)c1Cl ZINC000473864343 561059631 /nfs/dbraw/zinc/05/96/31/561059631.db2.gz SRHQCNAVODCYEB-UHFFFAOYSA-N -1 1 373.302 2.460 20 0 FEADMM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000475012523 561087692 /nfs/dbraw/zinc/08/76/92/561087692.db2.gz FNGWBSAVIXWKKZ-UHFFFAOYSA-N -1 1 350.448 2.219 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000475578708 561100298 /nfs/dbraw/zinc/10/02/98/561100298.db2.gz QPMHYMZESXYQDZ-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccc(OC)cc1 ZINC000475777313 561105006 /nfs/dbraw/zinc/10/50/06/561105006.db2.gz FLABEMAYNZDWMJ-OAHLLOKOSA-N -1 1 367.398 2.335 20 0 FEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000476424038 561119087 /nfs/dbraw/zinc/11/90/87/561119087.db2.gz PGMRPAADRNMVSK-UHFFFAOYSA-N -1 1 374.418 2.385 20 0 FEADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000476452952 561119820 /nfs/dbraw/zinc/11/98/20/561119820.db2.gz COPMXIWXVQXSJD-UHFFFAOYSA-N -1 1 362.407 2.274 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCCC(C)(C)CO ZINC000476772325 561128148 /nfs/dbraw/zinc/12/81/48/561128148.db2.gz JCSHDXXPKBBVJS-UHFFFAOYSA-N -1 1 358.442 2.010 20 0 FEADMM Cc1c2cccc(Br)c2oc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477032202 561134660 /nfs/dbraw/zinc/13/46/60/561134660.db2.gz HWTFQXFUSHAHOG-UHFFFAOYSA-N -1 1 362.187 2.436 20 0 FEADMM C[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])[C@@H]1C1CC1 ZINC000528954730 562354234 /nfs/dbraw/zinc/35/42/34/562354234.db2.gz WSHSLOZYSVELQL-BNGAFQBXSA-N -1 1 350.440 2.064 20 0 FEADMM CCC(C)(C)OC1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000529812766 562386412 /nfs/dbraw/zinc/38/64/12/562386412.db2.gz PWDIHWLEPAWMOA-UHFFFAOYSA-N -1 1 372.487 2.386 20 0 FEADMM CCOc1ccc(OC[C@H](O)CN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000530167877 562401044 /nfs/dbraw/zinc/40/10/44/562401044.db2.gz HCALLGMSCQBXLB-ACJLOTCBSA-N -1 1 361.394 2.102 20 0 FEADMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000530167103 562401065 /nfs/dbraw/zinc/40/10/65/562401065.db2.gz TXHHRVQPRUWUOF-KPZWWZAWSA-N -1 1 356.378 2.185 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530172837 562401310 /nfs/dbraw/zinc/40/13/10/562401310.db2.gz AZZZPNMSWBJAMS-QDMKHBRRSA-N -1 1 369.483 2.433 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000530177008 562401493 /nfs/dbraw/zinc/40/14/93/562401493.db2.gz VYZSUOLVJBZSKZ-AGGWBTHJSA-N -1 1 366.483 2.201 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(-c4ncc[nH]4)cc3)cc2N1 ZINC000530873749 562426958 /nfs/dbraw/zinc/42/69/58/562426958.db2.gz KEYQZDGTQVOYHJ-UHFFFAOYSA-N -1 1 370.390 2.208 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000531736190 562455081 /nfs/dbraw/zinc/45/50/81/562455081.db2.gz VBBWULYNDVBBBP-HNNXBMFYSA-N -1 1 364.409 2.012 20 0 FEADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(NC(N)=O)cc3)ccc2NC1=O ZINC000532287251 562472838 /nfs/dbraw/zinc/47/28/38/562472838.db2.gz KKMAHYYFUSSXDE-UHFFFAOYSA-N -1 1 374.422 2.208 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2nc3c(cccc3F)n2C)sc1C ZINC000532496055 562479495 /nfs/dbraw/zinc/47/94/95/562479495.db2.gz HYUVZMBAFFHMIL-UHFFFAOYSA-N -1 1 368.459 2.307 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c(C)o1 ZINC000533165603 562500045 /nfs/dbraw/zinc/50/00/45/562500045.db2.gz JWGXSJXDYFIRJR-UHFFFAOYSA-N -1 1 353.352 2.182 20 0 FEADMM O=C([O-])C1(NC(=O)c2n[nH]c3ccc(Br)cc32)CCCC1 ZINC000533183990 562500674 /nfs/dbraw/zinc/50/06/74/562500674.db2.gz KUDSWLUKBWFQKN-UHFFFAOYSA-N -1 1 352.188 2.453 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000533362235 562506550 /nfs/dbraw/zinc/50/65/50/562506550.db2.gz AWFNMUXWIBKTJW-ZDUSSCGKSA-N -1 1 363.361 2.111 20 0 FEADMM [O-]C(=CCc1nc(-c2ccoc2)no1)Nc1nc(-c2cccnc2)ns1 ZINC000533731722 562517027 /nfs/dbraw/zinc/51/70/27/562517027.db2.gz YGOQJQMKNCROKW-UHFFFAOYSA-N -1 1 368.378 2.236 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000534237535 562528250 /nfs/dbraw/zinc/52/82/50/562528250.db2.gz JEQBDFXWMFVFJD-UHFFFAOYSA-N -1 1 368.386 2.086 20 0 FEADMM CC[C@H](C)n1ncc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1C1CC1 ZINC000534247617 562528436 /nfs/dbraw/zinc/52/84/36/562528436.db2.gz WILOVMJBKXBMGF-JTQLQIEISA-N -1 1 366.443 2.485 20 0 FEADMM O=C(NC[C@@H](O)COc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000534272832 562529330 /nfs/dbraw/zinc/52/93/30/562529330.db2.gz LQZKWVWWAXMRBM-GFCCVEGCSA-N -1 1 366.211 2.324 20 0 FEADMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000534401235 562533470 /nfs/dbraw/zinc/53/34/70/562533470.db2.gz MBVNVOAJKMAYTM-UHFFFAOYSA-N -1 1 367.793 2.470 20 0 FEADMM COc1ccc(O)c(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000534725132 562541140 /nfs/dbraw/zinc/54/11/40/562541140.db2.gz IJHODWXJMFSLMU-UHFFFAOYSA-N -1 1 366.377 2.036 20 0 FEADMM CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000535421621 562558167 /nfs/dbraw/zinc/55/81/67/562558167.db2.gz APHXIIFLWJICHA-UHFFFAOYSA-N -1 1 352.387 2.390 20 0 FEADMM CN1C(=O)C[C@@H](NC(=O)c2cncc([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535880146 562570195 /nfs/dbraw/zinc/57/01/95/562570195.db2.gz KLZXEVAYSHJELD-ZBFHGGJFSA-N -1 1 363.776 2.282 20 0 FEADMM COCc1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)cc1 ZINC000536989920 562583772 /nfs/dbraw/zinc/58/37/72/562583772.db2.gz DBJHWSUEACLKDQ-UHFFFAOYSA-N -1 1 369.370 2.480 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000540804359 562593398 /nfs/dbraw/zinc/59/33/98/562593398.db2.gz FASXYYHCVXXGTQ-UHFFFAOYSA-N -1 1 365.798 2.427 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c(C)c1CC(=O)[O-] ZINC000541077771 562602302 /nfs/dbraw/zinc/60/23/02/562602302.db2.gz XVCWHJYYDQLGBR-UHFFFAOYSA-N -1 1 374.422 2.311 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc(SC4CC4)cc3)CC2)s[n-]1 ZINC000541237353 562606923 /nfs/dbraw/zinc/60/69/23/562606923.db2.gz HKSHRTCLVFHAPN-UHFFFAOYSA-N -1 1 361.496 2.337 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC)c2)c(F)cc1C ZINC000556303466 674395769 /nfs/dbraw/zinc/39/57/69/674395769.db2.gz GGCCHMCNVWCHDG-UHFFFAOYSA-N -1 1 355.391 2.328 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)n[n-]1 ZINC000603152537 568065095 /nfs/dbraw/zinc/06/50/95/568065095.db2.gz DKHZXSUVYADFRU-MSRLKIHKSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)[n-]1 ZINC000603152537 568065096 /nfs/dbraw/zinc/06/50/96/568065096.db2.gz DKHZXSUVYADFRU-MSRLKIHKSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)n1 ZINC000603152537 568065097 /nfs/dbraw/zinc/06/50/97/568065097.db2.gz DKHZXSUVYADFRU-MSRLKIHKSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)n[n-]1 ZINC000603153998 568065199 /nfs/dbraw/zinc/06/51/99/568065199.db2.gz JIUXNIIAQXYUBO-GDLCADMTSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)[n-]1 ZINC000603153998 568065200 /nfs/dbraw/zinc/06/52/00/568065200.db2.gz JIUXNIIAQXYUBO-GDLCADMTSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000603153998 568065201 /nfs/dbraw/zinc/06/52/01/568065201.db2.gz JIUXNIIAQXYUBO-GDLCADMTSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)n[n-]1 ZINC000603154003 568065254 /nfs/dbraw/zinc/06/52/54/568065254.db2.gz JIUXNIIAQXYUBO-ZLKJLUDKSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)[n-]1 ZINC000603154003 568065255 /nfs/dbraw/zinc/06/52/55/568065255.db2.gz JIUXNIIAQXYUBO-ZLKJLUDKSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000603154003 568065256 /nfs/dbraw/zinc/06/52/56/568065256.db2.gz JIUXNIIAQXYUBO-ZLKJLUDKSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)n[n-]1 ZINC000603154296 568068427 /nfs/dbraw/zinc/06/84/27/568068427.db2.gz KHGVPJAPRZZPMR-YFKPBYRVSA-N -1 1 360.267 2.029 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)[n-]1 ZINC000603154296 568068428 /nfs/dbraw/zinc/06/84/28/568068428.db2.gz KHGVPJAPRZZPMR-YFKPBYRVSA-N -1 1 360.267 2.029 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000603154296 568068429 /nfs/dbraw/zinc/06/84/29/568068429.db2.gz KHGVPJAPRZZPMR-YFKPBYRVSA-N -1 1 360.267 2.029 20 0 FEADMM COCc1cc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)cc(C(=O)OC)c1 ZINC000603420337 568095969 /nfs/dbraw/zinc/09/59/69/568095969.db2.gz SAZWABOXCSFXQC-JKSUJKDBSA-N -1 1 371.455 2.319 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)c(F)c1 ZINC000603507682 568109927 /nfs/dbraw/zinc/10/99/27/568109927.db2.gz OCHUINTZNIVOKN-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)ccc2o1 ZINC000603976631 568193039 /nfs/dbraw/zinc/19/30/39/568193039.db2.gz MVQIUHRUBVEKDG-UHFFFAOYSA-N -1 1 374.374 2.119 20 0 FEADMM Cc1ccnc(-c2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000604304953 568247134 /nfs/dbraw/zinc/24/71/34/568247134.db2.gz SVNSCHBQLZCNKV-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM CC[C@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)[C@@H]1CCCO1 ZINC000626268686 568317731 /nfs/dbraw/zinc/31/77/31/568317731.db2.gz AGESHUXKAUYBSM-ZFWWWQNUSA-N -1 1 360.410 2.233 20 0 FEADMM O=C(Cc1c[nH]c2ccc(F)cc12)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000604601089 568323403 /nfs/dbraw/zinc/32/34/03/568323403.db2.gz GPBPBRIBHWROOC-KRWDZBQOSA-N -1 1 350.357 2.268 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc2c1CN(C)C2=O ZINC000643269790 568451805 /nfs/dbraw/zinc/45/18/05/568451805.db2.gz PCMOYDLOJANVLM-OAHLLOKOSA-N -1 1 374.462 2.272 20 0 FEADMM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000738343426 598842073 /nfs/dbraw/zinc/84/20/73/598842073.db2.gz ZAOCPWWVYUWVTD-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)c1cccnc1 ZINC000737199096 598842678 /nfs/dbraw/zinc/84/26/78/598842678.db2.gz FQPXALQSCBDYFV-GFCCVEGCSA-N -1 1 368.397 2.216 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)ccc2o1 ZINC000737489193 598930753 /nfs/dbraw/zinc/93/07/53/598930753.db2.gz XHARZARJDQFSHG-UHFFFAOYSA-N -1 1 370.394 2.426 20 0 FEADMM c1nn(-c2ccccn2)cc1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738425732 598971123 /nfs/dbraw/zinc/97/11/23/598971123.db2.gz NBBDXJONAKBPHD-UHFFFAOYSA-N -1 1 356.353 2.134 20 0 FEADMM c1nn(-c2ccccn2)cc1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738425732 598971124 /nfs/dbraw/zinc/97/11/24/598971124.db2.gz NBBDXJONAKBPHD-UHFFFAOYSA-N -1 1 356.353 2.134 20 0 FEADMM O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737998656 598996314 /nfs/dbraw/zinc/99/63/14/598996314.db2.gz OMZOZZTWEXYEPH-HOTGVXAUSA-N -1 1 368.372 2.051 20 0 FEADMM O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737998656 598996317 /nfs/dbraw/zinc/99/63/17/598996317.db2.gz OMZOZZTWEXYEPH-HOTGVXAUSA-N -1 1 368.372 2.051 20 0 FEADMM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736719893 599031169 /nfs/dbraw/zinc/03/11/69/599031169.db2.gz DVCZOKDIMNKELW-NSHDSACASA-N -1 1 362.397 2.122 20 0 FEADMM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736719893 599031170 /nfs/dbraw/zinc/03/11/70/599031170.db2.gz DVCZOKDIMNKELW-NSHDSACASA-N -1 1 362.397 2.122 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2)C2CCOCC2)n1 ZINC000556671523 674411432 /nfs/dbraw/zinc/41/14/32/674411432.db2.gz OGWUQJDLRGPZAV-OAHLLOKOSA-N -1 1 369.418 2.272 20 0 FEADMM CC(C)N1C(=O)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1(C)C ZINC000820129017 599082473 /nfs/dbraw/zinc/08/24/73/599082473.db2.gz VQPBXXJMLWBEQK-UHFFFAOYSA-N -1 1 365.441 2.251 20 0 FEADMM CC(C)N1C(=O)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1(C)C ZINC000820129017 599082476 /nfs/dbraw/zinc/08/24/76/599082476.db2.gz VQPBXXJMLWBEQK-UHFFFAOYSA-N -1 1 365.441 2.251 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000736613777 599097120 /nfs/dbraw/zinc/09/71/20/599097120.db2.gz FVFOOQPJQOSDNQ-HOTGVXAUSA-N -1 1 370.457 2.462 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000736613777 599097123 /nfs/dbraw/zinc/09/71/23/599097123.db2.gz FVFOOQPJQOSDNQ-HOTGVXAUSA-N -1 1 370.457 2.462 20 0 FEADMM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000737401049 599139458 /nfs/dbraw/zinc/13/94/58/599139458.db2.gz WOTSCOGIOGMTHG-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000737401049 599139460 /nfs/dbraw/zinc/13/94/60/599139460.db2.gz WOTSCOGIOGMTHG-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM O=C(OCc1csc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245868 599139553 /nfs/dbraw/zinc/13/95/53/599139553.db2.gz ZIYINWNKSVKTAV-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1csc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245868 599139554 /nfs/dbraw/zinc/13/95/54/599139554.db2.gz ZIYINWNKSVKTAV-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM CC(C)(C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735597963 599177407 /nfs/dbraw/zinc/17/74/07/599177407.db2.gz UYRKAMIZZWQFFC-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000739343333 596926327 /nfs/dbraw/zinc/92/63/27/596926327.db2.gz VKWYVSYVCBECPA-KRWDZBQOSA-N -1 1 358.438 2.458 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1Cl ZINC000736020727 599232621 /nfs/dbraw/zinc/23/26/21/599232621.db2.gz WHPVPVDDDSWATF-SNVBAGLBSA-N -1 1 358.789 2.112 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1Cl ZINC000736020727 599232623 /nfs/dbraw/zinc/23/26/23/599232623.db2.gz WHPVPVDDDSWATF-SNVBAGLBSA-N -1 1 358.789 2.112 20 0 FEADMM CN(CCC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000818429260 596995432 /nfs/dbraw/zinc/99/54/32/596995432.db2.gz ZOTWVAZNTXTDRQ-AWEZNQCLSA-N -1 1 373.375 2.396 20 0 FEADMM CC(C)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735752174 599236293 /nfs/dbraw/zinc/23/62/93/599236293.db2.gz YFYRTVSNGOFIDR-CQSZACIVSA-N -1 1 353.423 2.205 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000818482144 597050816 /nfs/dbraw/zinc/05/08/16/597050816.db2.gz HTURGSDLMOXFQI-HNNXBMFYSA-N -1 1 360.458 2.157 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000581228055 597078227 /nfs/dbraw/zinc/07/82/27/597078227.db2.gz ZQJBGMVCOYMVQF-QWHCGFSZSA-N -1 1 350.415 2.218 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCS[C@H](c2ccccc2)C1 ZINC000738258139 599261757 /nfs/dbraw/zinc/26/17/57/599261757.db2.gz FLNQBTNKRQSPPZ-HNNXBMFYSA-N -1 1 352.423 2.192 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCS[C@H](c2ccccc2)C1 ZINC000738258139 599261760 /nfs/dbraw/zinc/26/17/60/599261760.db2.gz FLNQBTNKRQSPPZ-HNNXBMFYSA-N -1 1 352.423 2.192 20 0 FEADMM CNC(=O)c1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000736880960 599269334 /nfs/dbraw/zinc/26/93/34/599269334.db2.gz CQMPHXFNZZPCGU-UHFFFAOYSA-N -1 1 359.393 2.387 20 0 FEADMM CNC(=O)c1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000736880960 599269335 /nfs/dbraw/zinc/26/93/35/599269335.db2.gz CQMPHXFNZZPCGU-UHFFFAOYSA-N -1 1 359.393 2.387 20 0 FEADMM C[C@H]1CCN(C(=O)CCC2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807708407 674424909 /nfs/dbraw/zinc/42/49/09/674424909.db2.gz UCEKKFDKUWJZLP-HUBLWGQQSA-N -1 1 364.408 2.497 20 0 FEADMM CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735923068 598259766 /nfs/dbraw/zinc/25/97/66/598259766.db2.gz JXRKNPLOTKMCHI-GFCCVEGCSA-N -1 1 372.454 2.425 20 0 FEADMM CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735923068 598259767 /nfs/dbraw/zinc/25/97/67/598259767.db2.gz JXRKNPLOTKMCHI-GFCCVEGCSA-N -1 1 372.454 2.425 20 0 FEADMM CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736328489 598260521 /nfs/dbraw/zinc/26/05/21/598260521.db2.gz XKKZEELJZDNTML-ZDUSSCGKSA-N -1 1 372.454 2.251 20 0 FEADMM CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736328489 598260523 /nfs/dbraw/zinc/26/05/23/598260523.db2.gz XKKZEELJZDNTML-ZDUSSCGKSA-N -1 1 372.454 2.251 20 0 FEADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597388 598263118 /nfs/dbraw/zinc/26/31/18/598263118.db2.gz OAFLGDQAEXCCDA-OLZOCXBDSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597388 598263120 /nfs/dbraw/zinc/26/31/20/598263120.db2.gz OAFLGDQAEXCCDA-OLZOCXBDSA-N -1 1 364.475 2.145 20 0 FEADMM Cc1cc(C)cc(-c2nnc(Sc3nccnc3-c3nn[n-]n3)o2)c1 ZINC000737254808 598339694 /nfs/dbraw/zinc/33/96/94/598339694.db2.gz ZZCOFQATKMTWEN-UHFFFAOYSA-N -1 1 352.383 2.475 20 0 FEADMM Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2C)o1 ZINC000822214110 607360349 /nfs/dbraw/zinc/36/03/49/607360349.db2.gz PYFPKYACXIJKOL-UHFFFAOYSA-N -1 1 350.342 2.114 20 0 FEADMM CN(C)C(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736754488 598572781 /nfs/dbraw/zinc/57/27/81/598572781.db2.gz XBXITNDIKYWEHK-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CN(C)C(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736754488 598572782 /nfs/dbraw/zinc/57/27/82/598572782.db2.gz XBXITNDIKYWEHK-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736457024 598573060 /nfs/dbraw/zinc/57/30/60/598573060.db2.gz KAURXVKOGQMIIC-UHFFFAOYSA-N -1 1 363.853 2.048 20 0 FEADMM CCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736457024 598573062 /nfs/dbraw/zinc/57/30/62/598573062.db2.gz KAURXVKOGQMIIC-UHFFFAOYSA-N -1 1 363.853 2.048 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000823478390 607359137 /nfs/dbraw/zinc/35/91/37/607359137.db2.gz KFFGEEPAVNQPCB-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000823478390 607359138 /nfs/dbraw/zinc/35/91/38/607359138.db2.gz KFFGEEPAVNQPCB-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)cc1 ZINC000808068632 674439867 /nfs/dbraw/zinc/43/98/67/674439867.db2.gz DOTIBNMWMDEBDG-UHFFFAOYSA-N -1 1 357.428 2.194 20 0 FEADMM CC[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736406547 598695610 /nfs/dbraw/zinc/69/56/10/598695610.db2.gz APIIFBSZAXSYFD-AAEUAGOBSA-N -1 1 370.413 2.198 20 0 FEADMM CC[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736406547 598695612 /nfs/dbraw/zinc/69/56/12/598695612.db2.gz APIIFBSZAXSYFD-AAEUAGOBSA-N -1 1 370.413 2.198 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000737200520 598735303 /nfs/dbraw/zinc/73/53/03/598735303.db2.gz NKYPZGBVBOJRTC-QWRGUYRKSA-N -1 1 358.446 2.306 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc2c1OCO2 ZINC000557333919 674445522 /nfs/dbraw/zinc/44/55/22/674445522.db2.gz LSBQRNHQIZRUHG-UHFFFAOYSA-N -1 1 352.343 2.178 20 0 FEADMM CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821592857 599335542 /nfs/dbraw/zinc/33/55/42/599335542.db2.gz YYVWBDSGKGUOBZ-CQSZACIVSA-N -1 1 373.413 2.314 20 0 FEADMM CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821592857 599335545 /nfs/dbraw/zinc/33/55/45/599335545.db2.gz YYVWBDSGKGUOBZ-CQSZACIVSA-N -1 1 373.413 2.314 20 0 FEADMM CSCC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737182135 599383009 /nfs/dbraw/zinc/38/30/09/599383009.db2.gz PTQIQYDFGWQOIQ-JTQLQIEISA-N -1 1 360.443 2.430 20 0 FEADMM CSCC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737182135 599383012 /nfs/dbraw/zinc/38/30/12/599383012.db2.gz PTQIQYDFGWQOIQ-JTQLQIEISA-N -1 1 360.443 2.430 20 0 FEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(F)c1 ZINC000822694126 599402509 /nfs/dbraw/zinc/40/25/09/599402509.db2.gz WEOIJSYQFUFOBU-OAHLLOKOSA-N -1 1 353.361 2.212 20 0 FEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(F)c1 ZINC000822694126 599402512 /nfs/dbraw/zinc/40/25/12/599402512.db2.gz WEOIJSYQFUFOBU-OAHLLOKOSA-N -1 1 353.361 2.212 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735625350 599423759 /nfs/dbraw/zinc/42/37/59/599423759.db2.gz DLMOUKSTBHOGAS-UHFFFAOYSA-N -1 1 359.434 2.321 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735625350 599423762 /nfs/dbraw/zinc/42/37/62/599423762.db2.gz DLMOUKSTBHOGAS-UHFFFAOYSA-N -1 1 359.434 2.321 20 0 FEADMM COc1cccc(N2CC[C@@H](CNc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000737137764 599424789 /nfs/dbraw/zinc/42/47/89/599424789.db2.gz DRFIRGKQBSKYSU-ZDUSSCGKSA-N -1 1 351.414 2.209 20 0 FEADMM COc1cccc(N2CC[C@@H](CNc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000737137764 599424792 /nfs/dbraw/zinc/42/47/92/599424792.db2.gz DRFIRGKQBSKYSU-ZDUSSCGKSA-N -1 1 351.414 2.209 20 0 FEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@H]1c1ccco1 ZINC000738354786 599481315 /nfs/dbraw/zinc/48/13/15/599481315.db2.gz KTOGOXYEDJGRSE-AWEZNQCLSA-N -1 1 374.426 2.161 20 0 FEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@H]1c1ccco1 ZINC000738354786 599481318 /nfs/dbraw/zinc/48/13/18/599481318.db2.gz KTOGOXYEDJGRSE-AWEZNQCLSA-N -1 1 374.426 2.161 20 0 FEADMM Clc1nsc(N2CCC(Cn3cccn3)CC2)c1-c1nnn[n-]1 ZINC000737584515 599525119 /nfs/dbraw/zinc/52/51/19/599525119.db2.gz RDHUGMONHJZOCT-UHFFFAOYSA-N -1 1 350.839 2.090 20 0 FEADMM Clc1nsc(N2CCC(Cn3cccn3)CC2)c1-c1nn[n-]n1 ZINC000737584515 599525122 /nfs/dbraw/zinc/52/51/22/599525122.db2.gz RDHUGMONHJZOCT-UHFFFAOYSA-N -1 1 350.839 2.090 20 0 FEADMM COC(=O)[C@H]1CC12CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821654088 599558004 /nfs/dbraw/zinc/55/80/04/599558004.db2.gz SWMOKAYIEPINDC-CYBMUJFWSA-N -1 1 364.409 2.194 20 0 FEADMM COC(=O)[C@H]1CC12CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821654088 599558005 /nfs/dbraw/zinc/55/80/05/599558005.db2.gz SWMOKAYIEPINDC-CYBMUJFWSA-N -1 1 364.409 2.194 20 0 FEADMM COCCC1(C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCCC1 ZINC000632101409 676975715 /nfs/dbraw/zinc/97/57/15/676975715.db2.gz WARSTQRAVVQKIZ-UHFFFAOYSA-N -1 1 355.382 2.304 20 0 FEADMM CO[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(C)(C)C ZINC000821677433 599654571 /nfs/dbraw/zinc/65/45/71/599654571.db2.gz WUYWDAXXYHRBDI-GFCCVEGCSA-N -1 1 372.429 2.350 20 0 FEADMM CO[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(C)(C)C ZINC000821677433 599654572 /nfs/dbraw/zinc/65/45/72/599654572.db2.gz WUYWDAXXYHRBDI-GFCCVEGCSA-N -1 1 372.429 2.350 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2ccccc2)no1 ZINC000820508554 599661409 /nfs/dbraw/zinc/66/14/09/599661409.db2.gz ROQJRKBVSBRJJG-JTQLQIEISA-N -1 1 363.337 2.230 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2ccccc2)no1 ZINC000820508554 599661410 /nfs/dbraw/zinc/66/14/10/599661410.db2.gz ROQJRKBVSBRJJG-JTQLQIEISA-N -1 1 363.337 2.230 20 0 FEADMM CCN1CCC(N(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000391417546 599724369 /nfs/dbraw/zinc/72/43/69/599724369.db2.gz PXFMGSZQIHHMHB-UHFFFAOYSA-N -1 1 360.863 2.143 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000737085272 599792549 /nfs/dbraw/zinc/79/25/49/599792549.db2.gz IYFXFPSGBFYRHL-AWEZNQCLSA-N -1 1 352.435 2.104 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736653038 599855270 /nfs/dbraw/zinc/85/52/70/599855270.db2.gz STERXRXBKPHWLV-JTQLQIEISA-N -1 1 367.365 2.410 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000736652870 599884024 /nfs/dbraw/zinc/88/40/24/599884024.db2.gz OOEKSNKDUHCYKZ-BDJLRTHQSA-N -1 1 367.361 2.050 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736652587 599884142 /nfs/dbraw/zinc/88/41/42/599884142.db2.gz IOABGHJTFVPURH-NSHDSACASA-N -1 1 367.361 2.123 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)no1 ZINC000632480093 676996841 /nfs/dbraw/zinc/99/68/41/676996841.db2.gz OOVDTPZUTYSGAX-BDAKNGLRSA-N -1 1 359.370 2.130 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000738278127 599939456 /nfs/dbraw/zinc/93/94/56/599939456.db2.gz XHCPXUUODSHYRU-CHWSQXEVSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])c1ccc(OCCN[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000740164587 599941506 /nfs/dbraw/zinc/94/15/06/599941506.db2.gz ZSIQSQWWMUGAQI-SFHVURJKSA-N -1 1 354.406 2.373 20 0 FEADMM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000740289941 599982314 /nfs/dbraw/zinc/98/23/14/599982314.db2.gz PDZYPHDOIXGLBZ-UHFFFAOYSA-N -1 1 351.365 2.297 20 0 FEADMM Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1C(=O)[O-] ZINC000738411041 600041480 /nfs/dbraw/zinc/04/14/80/600041480.db2.gz OAJRFGMJKJIJBD-KRWDZBQOSA-N -1 1 369.421 2.051 20 0 FEADMM Cc1cccc(C[C@@H](CNC(=O)Cc2[nH]nc3ccccc32)C(=O)[O-])c1 ZINC000237665090 600060638 /nfs/dbraw/zinc/06/06/38/600060638.db2.gz PYRBFDQNVIDBNC-HNNXBMFYSA-N -1 1 351.406 2.474 20 0 FEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000739285639 600080046 /nfs/dbraw/zinc/08/00/46/600080046.db2.gz ITGNSTJGAOFEPI-HOTGVXAUSA-N -1 1 359.426 2.160 20 0 FEADMM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737654210 600095743 /nfs/dbraw/zinc/09/57/43/600095743.db2.gz NDZUQSCGTRFJKT-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C([O-])c1cccc(CS(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311115657 600162910 /nfs/dbraw/zinc/16/29/10/600162910.db2.gz ZHFYAKXOLZDSLX-SFHVURJKSA-N -1 1 374.462 2.079 20 0 FEADMM Cc1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)N(C)C)C(=O)[O-])cc1 ZINC000738552102 600173538 /nfs/dbraw/zinc/17/35/38/600173538.db2.gz MNYJUEZLTPHMPD-OALUTQOASA-N -1 1 354.450 2.452 20 0 FEADMM COC(=O)CCCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000737596338 600224008 /nfs/dbraw/zinc/22/40/08/600224008.db2.gz PDJZQUGTZKBDIV-CQSZACIVSA-N -1 1 351.399 2.031 20 0 FEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738737812 600296052 /nfs/dbraw/zinc/29/60/52/600296052.db2.gz MDRGKPYRVHYQER-DOTOQJQBSA-N -1 1 360.454 2.065 20 0 FEADMM CN(Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000737485776 600300088 /nfs/dbraw/zinc/30/00/88/600300088.db2.gz FLXMLHHDYHFWDH-UHFFFAOYSA-N -1 1 360.395 2.474 20 0 FEADMM CCCOc1ccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737032306 600307584 /nfs/dbraw/zinc/30/75/84/600307584.db2.gz ZWBDUAIQMMBNNO-QGZVFWFLSA-N -1 1 360.454 2.278 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000737530300 600316665 /nfs/dbraw/zinc/31/66/65/600316665.db2.gz RYAZYCSZEOGNCO-OAHLLOKOSA-N -1 1 372.469 2.157 20 0 FEADMM CCC[C@](C)(NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000736963004 600324207 /nfs/dbraw/zinc/32/42/07/600324207.db2.gz JECMJAVLJUDQLJ-VLZNNYHMSA-N -1 1 365.474 2.014 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCN1CCOC ZINC000736936523 600335638 /nfs/dbraw/zinc/33/56/38/600335638.db2.gz ALRVVSHBZGVZFA-ZDUSSCGKSA-N -1 1 353.394 2.098 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000736820648 600358417 /nfs/dbraw/zinc/35/84/17/600358417.db2.gz DBRQHNSOXAAWEA-GDBMZVCRSA-N -1 1 361.442 2.032 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000565045631 600363590 /nfs/dbraw/zinc/36/35/90/600363590.db2.gz DVJQUMZANRRUKO-VIFPVBQESA-N -1 1 356.444 2.133 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000738901530 600366829 /nfs/dbraw/zinc/36/68/29/600366829.db2.gz BQVDYQXPRIXEJG-WFASDCNBSA-N -1 1 358.442 2.469 20 0 FEADMM COC(=O)CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(C)C ZINC000737599509 600445721 /nfs/dbraw/zinc/44/57/21/600445721.db2.gz WHOZODILBSBDRJ-UHFFFAOYSA-N -1 1 368.455 2.147 20 0 FEADMM CC(C)N(C)CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000736454138 600497486 /nfs/dbraw/zinc/49/74/86/600497486.db2.gz FLUFGYUXILPXDO-INIZCTEOSA-N -1 1 361.442 2.045 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1ccnn1Cc1ccccc1Cl)C(=O)[O-] ZINC000736864769 600563753 /nfs/dbraw/zinc/56/37/53/600563753.db2.gz XDWSKIQCEDKQOM-KRWDZBQOSA-N -1 1 364.833 2.366 20 0 FEADMM C[C@H](C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])N(C)Cc1ccccc1 ZINC000736209226 600667757 /nfs/dbraw/zinc/66/77/57/600667757.db2.gz QVTKDSGYKJFRJI-QAPCUYQASA-N -1 1 370.449 2.272 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cs1 ZINC000833304161 600671932 /nfs/dbraw/zinc/67/19/32/600671932.db2.gz SWIKEOKOHIREJF-UHFFFAOYSA-N -1 1 367.330 2.166 20 0 FEADMM COC(=O)NCc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000735271083 600683391 /nfs/dbraw/zinc/68/33/91/600683391.db2.gz VRVCZAFEZKKNNF-UHFFFAOYSA-N -1 1 370.408 2.103 20 0 FEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000828424574 600792561 /nfs/dbraw/zinc/79/25/61/600792561.db2.gz QNIOWZZYJIYGRH-MFKMUULPSA-N -1 1 360.863 2.045 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(C(=O)NCc1n[nH]c(-c3ccc(F)cc3)n1)CC2 ZINC000739524365 600812382 /nfs/dbraw/zinc/81/23/82/600812382.db2.gz DBFBSUJXUHMHAF-ZDUSSCGKSA-N -1 1 373.388 2.007 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(C(=O)NCc1nc(-c3ccc(F)cc3)n[nH]1)CC2 ZINC000739524365 600812383 /nfs/dbraw/zinc/81/23/83/600812383.db2.gz DBFBSUJXUHMHAF-ZDUSSCGKSA-N -1 1 373.388 2.007 20 0 FEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCC(=O)OC(C)C)CC2 ZINC000832102881 600817254 /nfs/dbraw/zinc/81/72/54/600817254.db2.gz JWJGADNXPAOROL-OAHLLOKOSA-N -1 1 365.426 2.419 20 0 FEADMM CS(=O)(=O)c1ccc(OCCN(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000567055116 600820833 /nfs/dbraw/zinc/82/08/33/600820833.db2.gz NZXIMJZAIVCLGN-UHFFFAOYSA-N -1 1 363.435 2.056 20 0 FEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(NC(C)(C)CCS(C)(=O)=O)c12 ZINC000833002239 600824757 /nfs/dbraw/zinc/82/47/57/600824757.db2.gz QSQCSOUCNUGPSW-UHFFFAOYSA-N -1 1 371.484 2.053 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cnccc2-n2cccn2)cc1C(=O)[O-] ZINC000832956668 600828437 /nfs/dbraw/zinc/82/84/37/600828437.db2.gz PMCFOFUJJOFOJE-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1)C(=O)[O-] ZINC000828718714 600852360 /nfs/dbraw/zinc/85/23/60/600852360.db2.gz NWFLUTAOYQTNFQ-RMRDIRSESA-N -1 1 362.470 2.190 20 0 FEADMM Cc1nnc(SCCC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)[nH]1 ZINC000833021877 600918641 /nfs/dbraw/zinc/91/86/41/600918641.db2.gz QUJXONWQWXWUDV-UHFFFAOYSA-N -1 1 368.846 2.362 20 0 FEADMM Cc1nnc(SCC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)[nH]1 ZINC000832990608 600948055 /nfs/dbraw/zinc/94/80/55/600948055.db2.gz GNAYEDMTSUDLMH-UHFFFAOYSA-N -1 1 350.400 2.088 20 0 FEADMM Cc1n[nH]c(SCC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000832990608 600948056 /nfs/dbraw/zinc/94/80/56/600948056.db2.gz GNAYEDMTSUDLMH-UHFFFAOYSA-N -1 1 350.400 2.088 20 0 FEADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)C(=O)[O-] ZINC000736879578 600956296 /nfs/dbraw/zinc/95/62/96/600956296.db2.gz RBSVZWKWSHBRJN-ACJLOTCBSA-N -1 1 372.469 2.358 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C12CCCCC2 ZINC000574577761 600973027 /nfs/dbraw/zinc/97/30/27/600973027.db2.gz FUFBCUXIEZZZOH-SJORKVTESA-N -1 1 366.502 2.369 20 0 FEADMM 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/nfs/dbraw/zinc/24/72/38/603247238.db2.gz AHGYHILALLQEKM-JTQLQIEISA-N -1 1 359.220 2.395 20 0 FEADMM C[C@@H]1CCC[C@@H](C)C1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824927456 607617726 /nfs/dbraw/zinc/61/77/26/607617726.db2.gz ORGVMHOBFUDBOC-NXEZZACHSA-N -1 1 353.423 2.109 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)o1 ZINC000832684616 603265376 /nfs/dbraw/zinc/26/53/76/603265376.db2.gz UUORGFKYILQWOR-UHFFFAOYSA-N -1 1 357.410 2.395 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000827228366 603278820 /nfs/dbraw/zinc/27/88/20/603278820.db2.gz NMKLLQHBMWPRHU-UHFFFAOYSA-N -1 1 360.458 2.157 20 0 FEADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739888624 603347269 /nfs/dbraw/zinc/34/72/69/603347269.db2.gz DPOLFKQFGKPVMR-GOEBONIOSA-N -1 1 361.442 2.406 20 0 FEADMM C[C@H](C(=O)N1CCC(c2nc[nH]n2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662777 603560787 /nfs/dbraw/zinc/56/07/87/603560787.db2.gz PTTMGBNNOLRHFO-WFASDCNBSA-N -1 1 357.414 2.156 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711087 603628217 /nfs/dbraw/zinc/62/82/17/603628217.db2.gz AOPZBIMIIUTYAF-GFCCVEGCSA-N -1 1 365.430 2.010 20 0 FEADMM C[C@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824843809 607647109 /nfs/dbraw/zinc/64/71/09/607647109.db2.gz KTENOQLLNIWZKG-RHSMWYFYSA-N -1 1 373.413 2.014 20 0 FEADMM C[C@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824843809 607647111 /nfs/dbraw/zinc/64/71/11/607647111.db2.gz KTENOQLLNIWZKG-RHSMWYFYSA-N -1 1 373.413 2.014 20 0 FEADMM O=S(=O)(NCC(C1CC1)C1CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488879 607655109 /nfs/dbraw/zinc/65/51/09/607655109.db2.gz BGHNSXWGHJJBSO-UHFFFAOYSA-N -1 1 367.862 2.235 20 0 FEADMM O=S(=O)(NCC(C1CC1)C1CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488879 607655111 /nfs/dbraw/zinc/65/51/11/607655111.db2.gz BGHNSXWGHJJBSO-UHFFFAOYSA-N -1 1 367.862 2.235 20 0 FEADMM C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825075943 603891901 /nfs/dbraw/zinc/89/19/01/603891901.db2.gz OZVHSSODMUPPOG-VXJOIVPMSA-N -1 1 354.769 2.486 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3cccc(O)c3)cc2)n1 ZINC000832729681 603913788 /nfs/dbraw/zinc/91/37/88/603913788.db2.gz JAWQHDLWZUWQFE-UHFFFAOYSA-N -1 1 367.365 2.126 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3cccc(O)c3)cc2)n[nH]1 ZINC000832729681 603913791 /nfs/dbraw/zinc/91/37/91/603913791.db2.gz JAWQHDLWZUWQFE-UHFFFAOYSA-N -1 1 367.365 2.126 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000825221256 604037950 /nfs/dbraw/zinc/03/79/50/604037950.db2.gz YQXPYCPWMRNWQJ-BFHYXJOUSA-N -1 1 368.503 2.429 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 ZINC000825217292 604113845 /nfs/dbraw/zinc/11/38/45/604113845.db2.gz DUOUCKDBHQUBNN-GZBFAFLISA-N -1 1 368.503 2.429 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000825253021 604220246 /nfs/dbraw/zinc/22/02/46/604220246.db2.gz HXSQXJUIGBQPQW-KBPBESRZSA-N -1 1 351.422 2.152 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])C3CCOCC3)n[nH]2)cc1 ZINC000581625369 604296258 /nfs/dbraw/zinc/29/62/58/604296258.db2.gz FBXPZBYNWVZMQA-UHFFFAOYSA-N -1 1 373.409 2.181 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C1CC1 ZINC000630221308 604540554 /nfs/dbraw/zinc/54/05/54/604540554.db2.gz XKMBGEJGCCXVQK-CQSZACIVSA-N -1 1 362.474 2.038 20 0 FEADMM O=C([O-])c1cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c[nH]1 ZINC000833778973 604611771 /nfs/dbraw/zinc/61/17/71/604611771.db2.gz HVWPJSPSCRDGQA-UHFFFAOYSA-N -1 1 355.438 2.380 20 0 FEADMM O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000831393696 604635120 /nfs/dbraw/zinc/63/51/20/604635120.db2.gz JTPMGHJNMYOBNK-WFASDCNBSA-N -1 1 374.397 2.122 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)[O-])C2)n[nH]1 ZINC000830735679 604644250 /nfs/dbraw/zinc/64/42/50/604644250.db2.gz STJZMNSHXNTVBG-KFWWJZLASA-N -1 1 363.462 2.426 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3CC(=O)[O-])n2)cc1 ZINC000832908196 604665850 /nfs/dbraw/zinc/66/58/50/604665850.db2.gz TXQYLVZWXIDLTD-CYBMUJFWSA-N -1 1 360.439 2.338 20 0 FEADMM CC(C)c1nnc(-c2ccccc2NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)[nH]1 ZINC000824482114 604738752 /nfs/dbraw/zinc/73/87/52/604738752.db2.gz HDXMMGCJBQKPJM-LBPRGKRZSA-N -1 1 373.413 2.303 20 0 FEADMM Cc1nc(C(C)C)sc1[C@@H](C)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830709969 604770774 /nfs/dbraw/zinc/77/07/74/604770774.db2.gz XTGDSSZVJWLFEE-LLVKDONJSA-N -1 1 354.476 2.048 20 0 FEADMM C[C@@H](Oc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1)C(=O)[O-] ZINC000833541735 604779812 /nfs/dbraw/zinc/77/98/12/604779812.db2.gz SOESGQMSOMDJEL-OAHLLOKOSA-N -1 1 370.453 2.297 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000833623234 604784585 /nfs/dbraw/zinc/78/45/85/604784585.db2.gz JBISELHAFNUMLR-INMHGKMJSA-N -1 1 360.454 2.028 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)C[C@H]3CN(C(=O)[O-])CCO3)[nH]c2c1 ZINC000830433527 604789793 /nfs/dbraw/zinc/78/97/93/604789793.db2.gz VZDHSONFDJNYGN-BBRMVZONSA-N -1 1 372.425 2.304 20 0 FEADMM O=C([O-])CCCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1 ZINC000833225672 604802714 /nfs/dbraw/zinc/80/27/14/604802714.db2.gz DNRBGXRHZVBABG-UHFFFAOYSA-N -1 1 361.442 2.122 20 0 FEADMM CC(=O)NCc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)s1 ZINC000833397391 604867985 /nfs/dbraw/zinc/86/79/85/604867985.db2.gz ACCZCHBGAMQUQG-UHFFFAOYSA-N -1 1 358.379 2.211 20 0 FEADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833387715 604937562 /nfs/dbraw/zinc/93/75/62/604937562.db2.gz KNLIRNSYFWNPBB-ZWKOTPCHSA-N -1 1 374.481 2.126 20 0 FEADMM CC(C)(CC(=O)[O-])NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000833456017 604969760 /nfs/dbraw/zinc/96/97/60/604969760.db2.gz JTHBQSODSXZZFU-UHFFFAOYSA-N -1 1 352.412 2.088 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3CCC[C@H]3CC(=O)[O-])C2=O)cc1 ZINC000830237278 604975471 /nfs/dbraw/zinc/97/54/71/604975471.db2.gz INPUTBFYUBFMOL-JXFKEZNVSA-N -1 1 373.453 2.303 20 0 FEADMM CCOc1cc(C)ccc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833663629 605056779 /nfs/dbraw/zinc/05/67/79/605056779.db2.gz SLMSWLKJHZUUMA-HNNXBMFYSA-N -1 1 363.458 2.084 20 0 FEADMM CN(C)C(=O)c1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC000833687552 605061143 /nfs/dbraw/zinc/06/11/43/605061143.db2.gz UPSZMPNXGPFLAB-UHFFFAOYSA-N -1 1 352.350 2.215 20 0 FEADMM CS(=O)(=O)Nc1cccc2c1CCN(Cc1ccccc1CC(=O)[O-])C2 ZINC000833737194 605065766 /nfs/dbraw/zinc/06/57/66/605065766.db2.gz DIJJUWVRDIQXIY-UHFFFAOYSA-N -1 1 374.462 2.244 20 0 FEADMM CC(=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1OC(F)F ZINC000833383105 605080794 /nfs/dbraw/zinc/08/07/94/605080794.db2.gz RMQANQRAFJZIAF-PPOCWRSBSA-N -1 1 365.336 2.227 20 0 FEADMM CC(C)(CC(=O)[O-])CC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000833453488 605100176 /nfs/dbraw/zinc/10/01/76/605100176.db2.gz TVGCDVIVKKTYLO-UHFFFAOYSA-N -1 1 361.486 2.206 20 0 FEADMM C[C@H](NC1CN(C(=O)[O-])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000825486580 605100305 /nfs/dbraw/zinc/10/03/05/605100305.db2.gz ZBJOYKQIFWXIMU-LBPRGKRZSA-N -1 1 352.456 2.416 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833623963 605100338 /nfs/dbraw/zinc/10/03/38/605100338.db2.gz SZCOTTRBWPQDQD-YWMUFLPLSA-N -1 1 356.466 2.288 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833540993 605104535 /nfs/dbraw/zinc/10/45/35/605104535.db2.gz OZNALWCJDFILHU-QWHCGFSZSA-N -1 1 354.834 2.115 20 0 FEADMM COC(=O)c1cc(NC(=O)CN[C@H](C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000833715066 605124827 /nfs/dbraw/zinc/12/48/27/605124827.db2.gz OIDUNKVIMGCFRL-GFCCVEGCSA-N -1 1 356.378 2.461 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000833713895 605213331 /nfs/dbraw/zinc/21/33/31/605213331.db2.gz YBQDJCKUWGGUJH-XQQFMLRXSA-N -1 1 362.426 2.476 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CCN1CCC(=O)[O-] ZINC000833625488 605252745 /nfs/dbraw/zinc/25/27/45/605252745.db2.gz YICRUGOTVJQXAK-AWEZNQCLSA-N -1 1 369.421 2.075 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833540198 605252936 /nfs/dbraw/zinc/25/29/36/605252936.db2.gz KCANXDSILHOGPT-OLZOCXBDSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1CCC(=O)[O-] ZINC000833618984 605254428 /nfs/dbraw/zinc/25/44/28/605254428.db2.gz ACRTXUSELBQKQS-LLVKDONJSA-N -1 1 360.332 2.206 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000824916071 607747699 /nfs/dbraw/zinc/74/76/99/607747699.db2.gz JHBGTHSQSWIROK-ABAIWWIYSA-N -1 1 370.438 2.179 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000824916071 607747700 /nfs/dbraw/zinc/74/77/00/607747700.db2.gz JHBGTHSQSWIROK-ABAIWWIYSA-N -1 1 370.438 2.179 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000833681105 605268181 /nfs/dbraw/zinc/26/81/81/605268181.db2.gz SMHVCMFBLWUWGU-JTQLQIEISA-N -1 1 352.412 2.038 20 0 FEADMM C[C@@H]1CN(C(=O)/C=C/c2ccnc3ccccc23)CCN1CCC(=O)[O-] ZINC000833617503 605276560 /nfs/dbraw/zinc/27/65/60/605276560.db2.gz DDPMJWRFJKDIRU-LQYUOIDQSA-N -1 1 353.422 2.255 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC000833490760 605278449 /nfs/dbraw/zinc/27/84/49/605278449.db2.gz SKPSWEPIWMKUOH-MRXNPFEDSA-N -1 1 362.470 2.271 20 0 FEADMM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000833823835 605312923 /nfs/dbraw/zinc/31/29/23/605312923.db2.gz ABRKHLUKEJBMRB-FXAWDEMLSA-N -1 1 374.485 2.379 20 0 FEADMM Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1NC(=O)[O-] ZINC000829945103 605321390 /nfs/dbraw/zinc/32/13/90/605321390.db2.gz HQODCZXREFJKHD-KRWDZBQOSA-N -1 1 362.474 2.087 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)O1 ZINC000833576506 605362123 /nfs/dbraw/zinc/36/21/23/605362123.db2.gz CBEHITNMEFJLSZ-LRDDRELGSA-N -1 1 372.343 2.143 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cccc(Br)c1O ZINC000825838254 605363726 /nfs/dbraw/zinc/36/37/26/605363726.db2.gz OYWVEXPOBHLDEV-RKDXNWHRSA-N -1 1 357.204 2.415 20 0 FEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000833682807 605426721 /nfs/dbraw/zinc/42/67/21/605426721.db2.gz LYMCSCALOTUQEJ-NEPJUHHUSA-N -1 1 358.460 2.081 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000834160744 605443778 /nfs/dbraw/zinc/44/37/78/605443778.db2.gz UQHBUIBFUUQEAI-RJAIZQQDSA-N -1 1 369.425 2.416 20 0 FEADMM CCCN(CC(=O)Nc1nnc(C(C)C)s1)C1CCN(C(=O)[O-])CC1 ZINC000826902382 605480018 /nfs/dbraw/zinc/48/00/18/605480018.db2.gz BGXOIEJRYANRRF-UHFFFAOYSA-N -1 1 369.491 2.454 20 0 FEADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCCC[C@H]1CNC(=O)[O-] ZINC000833919835 605557261 /nfs/dbraw/zinc/55/72/61/605557261.db2.gz PNIFCICKYWHYKB-HNNXBMFYSA-N -1 1 366.462 2.074 20 0 FEADMM O=C([O-])NCCCOC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000834238161 605671321 /nfs/dbraw/zinc/67/13/21/605671321.db2.gz JNDFOKAILNTNLC-UHFFFAOYSA-N -1 1 364.442 2.487 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCc2sccc2C1 ZINC000832235072 605939348 /nfs/dbraw/zinc/93/93/48/605939348.db2.gz VNDRVDYZKZXDNU-GOOCMWNKSA-N -1 1 363.483 2.286 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCCCc1ccccc1 ZINC000832234511 605943831 /nfs/dbraw/zinc/94/38/31/605943831.db2.gz BCTUUDFGNSLNGX-AYHJJNSGSA-N -1 1 359.470 2.389 20 0 FEADMM O=C([O-])N1CCC(CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000834076624 605981998 /nfs/dbraw/zinc/98/19/98/605981998.db2.gz AKXLSIJSYKOWSB-AWEZNQCLSA-N -1 1 356.419 2.024 20 0 FEADMM O=C([O-])N[C@@H](CC(F)F)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000834138868 606019284 /nfs/dbraw/zinc/01/92/84/606019284.db2.gz VATMEIQFJSEGAP-KBPBESRZSA-N -1 1 356.369 2.486 20 0 FEADMM O=C([O-])Nc1cnc(C(=O)Nc2cccc(CN3CCSCC3)c2)cn1 ZINC000834278710 606021909 /nfs/dbraw/zinc/02/19/09/606021909.db2.gz MXHWLUGIXCZNQV-UHFFFAOYSA-N -1 1 373.438 2.368 20 0 FEADMM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000833826463 606030092 /nfs/dbraw/zinc/03/00/92/606030092.db2.gz HAHDPQQIPZKNDG-SCLBCKFNSA-N -1 1 357.414 2.304 20 0 FEADMM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000833826463 606030098 /nfs/dbraw/zinc/03/00/98/606030098.db2.gz HAHDPQQIPZKNDG-SCLBCKFNSA-N -1 1 357.414 2.304 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc2c(c1)CCC2 ZINC000823027397 606132810 /nfs/dbraw/zinc/13/28/10/606132810.db2.gz TTWBFBPWLAXZDA-UHFFFAOYSA-N -1 1 369.406 2.212 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc2c(c1)CCC2 ZINC000823027397 606132812 /nfs/dbraw/zinc/13/28/12/606132812.db2.gz TTWBFBPWLAXZDA-UHFFFAOYSA-N -1 1 369.406 2.212 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000820847667 606133918 /nfs/dbraw/zinc/13/39/18/606133918.db2.gz IQOREYYVWHSLFQ-GFCCVEGCSA-N -1 1 365.459 2.414 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000820847667 606133919 /nfs/dbraw/zinc/13/39/19/606133919.db2.gz IQOREYYVWHSLFQ-GFCCVEGCSA-N -1 1 365.459 2.414 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000820512062 606137115 /nfs/dbraw/zinc/13/71/15/606137115.db2.gz GEKPYJYXFIQYIX-OUAUKWLOSA-N -1 1 363.443 2.168 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000820512062 606137117 /nfs/dbraw/zinc/13/71/17/606137117.db2.gz GEKPYJYXFIQYIX-OUAUKWLOSA-N -1 1 363.443 2.168 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000821648190 606137711 /nfs/dbraw/zinc/13/77/11/606137711.db2.gz DHMXKCRLJVWJNB-LBPRGKRZSA-N -1 1 362.342 2.138 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000821648190 606137713 /nfs/dbraw/zinc/13/77/13/606137713.db2.gz DHMXKCRLJVWJNB-LBPRGKRZSA-N -1 1 362.342 2.138 20 0 FEADMM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822323299 606138502 /nfs/dbraw/zinc/13/85/02/606138502.db2.gz DQONKZJRTFATRH-JTQLQIEISA-N -1 1 357.395 2.421 20 0 FEADMM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822323299 606138503 /nfs/dbraw/zinc/13/85/03/606138503.db2.gz DQONKZJRTFATRH-JTQLQIEISA-N -1 1 357.395 2.421 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819835363 606145926 /nfs/dbraw/zinc/14/59/26/606145926.db2.gz WOJRFCFHPHDQOP-UHFFFAOYSA-N -1 1 366.377 2.103 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@H](C)C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000822548983 606149406 /nfs/dbraw/zinc/14/94/06/606149406.db2.gz QPHMPYGXURLABY-SNVBAGLBSA-N -1 1 361.402 2.385 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820561961 606156373 /nfs/dbraw/zinc/15/63/73/606156373.db2.gz CFYWANMHFFJIEY-QMMMGPOBSA-N -1 1 362.344 2.103 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820561961 606156374 /nfs/dbraw/zinc/15/63/74/606156374.db2.gz CFYWANMHFFJIEY-QMMMGPOBSA-N -1 1 362.344 2.103 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(c3ccccc3)CCCC2)n1 ZINC000822614066 606157465 /nfs/dbraw/zinc/15/74/65/606157465.db2.gz JONIEYWSXXQVAW-UHFFFAOYSA-N -1 1 366.429 2.234 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(c3ccccc3)CCCC2)n1 ZINC000822614066 606157468 /nfs/dbraw/zinc/15/74/68/606157468.db2.gz JONIEYWSXXQVAW-UHFFFAOYSA-N -1 1 366.429 2.234 20 0 FEADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820643057 606160768 /nfs/dbraw/zinc/16/07/68/606160768.db2.gz PJHHLMIPZNKGJL-TZMCWYRMSA-N -1 1 366.429 2.085 20 0 FEADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820643057 606160770 /nfs/dbraw/zinc/16/07/70/606160770.db2.gz PJHHLMIPZNKGJL-TZMCWYRMSA-N -1 1 366.429 2.085 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)CCCC2 ZINC000820379337 606167477 /nfs/dbraw/zinc/16/74/77/606167477.db2.gz ATHXXAGTCLAORH-LLVKDONJSA-N -1 1 366.429 2.362 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)CCCC2 ZINC000820379337 606167479 /nfs/dbraw/zinc/16/74/79/606167479.db2.gz ATHXXAGTCLAORH-LLVKDONJSA-N -1 1 366.429 2.362 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CC23CCCC3)c(-c2nn[n-]n2)c1C ZINC000822549012 606167963 /nfs/dbraw/zinc/16/79/63/606167963.db2.gz RPDLBHZTYPESSU-NSHDSACASA-N -1 1 359.386 2.139 20 0 FEADMM O=C(Cc1ccc(Br)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000559245064 674533385 /nfs/dbraw/zinc/53/33/85/674533385.db2.gz FUSVQMFUGPHRNH-UHFFFAOYSA-N -1 1 366.215 2.486 20 0 FEADMM Cc1cc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)sn1 ZINC000810191547 674536390 /nfs/dbraw/zinc/53/63/90/674536390.db2.gz BBEQZBYOTZYDPX-SECBINFHSA-N -1 1 350.366 2.374 20 0 FEADMM NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)s1)CCCC2 ZINC000822879923 606490028 /nfs/dbraw/zinc/49/00/28/606490028.db2.gz JCYYLMHTOFSXOS-UHFFFAOYSA-N -1 1 374.451 2.220 20 0 FEADMM NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)s1)CCCC2 ZINC000822879923 606490030 /nfs/dbraw/zinc/49/00/30/606490030.db2.gz JCYYLMHTOFSXOS-UHFFFAOYSA-N -1 1 374.451 2.220 20 0 FEADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819826578 606501196 /nfs/dbraw/zinc/50/11/96/606501196.db2.gz JYESWXIETZMFPL-SECBINFHSA-N -1 1 356.411 2.378 20 0 FEADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819826578 606501197 /nfs/dbraw/zinc/50/11/97/606501197.db2.gz JYESWXIETZMFPL-SECBINFHSA-N -1 1 356.411 2.378 20 0 FEADMM CCOc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OCC ZINC000821418121 606516951 /nfs/dbraw/zinc/51/69/51/606516951.db2.gz WKUAWVIVNFHNJS-UHFFFAOYSA-N -1 1 369.381 2.416 20 0 FEADMM CCOc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OCC ZINC000821418121 606516953 /nfs/dbraw/zinc/51/69/53/606516953.db2.gz WKUAWVIVNFHNJS-UHFFFAOYSA-N -1 1 369.381 2.416 20 0 FEADMM O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823375590 606528697 /nfs/dbraw/zinc/52/86/97/606528697.db2.gz ATCYMPLUHOVOBT-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823375590 606528700 /nfs/dbraw/zinc/52/87/00/606528700.db2.gz ATCYMPLUHOVOBT-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000823484336 606543920 /nfs/dbraw/zinc/54/39/20/606543920.db2.gz WFROXAOJLBPKKT-ZDUSSCGKSA-N -1 1 370.438 2.145 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000823484336 606543922 /nfs/dbraw/zinc/54/39/22/606543922.db2.gz WFROXAOJLBPKKT-ZDUSSCGKSA-N -1 1 370.438 2.145 20 0 FEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)C ZINC000820108935 606563282 /nfs/dbraw/zinc/56/32/82/606563282.db2.gz VTJBVHPATACCLY-JTQLQIEISA-N -1 1 351.432 2.024 20 0 FEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)C ZINC000820108935 606563283 /nfs/dbraw/zinc/56/32/83/606563283.db2.gz VTJBVHPATACCLY-JTQLQIEISA-N -1 1 351.432 2.024 20 0 FEADMM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150463 606565816 /nfs/dbraw/zinc/56/58/16/606565816.db2.gz PTDAPLKZNDSACJ-GFCCVEGCSA-N -1 1 372.429 2.466 20 0 FEADMM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150463 606565817 /nfs/dbraw/zinc/56/58/17/606565817.db2.gz PTDAPLKZNDSACJ-GFCCVEGCSA-N -1 1 372.429 2.466 20 0 FEADMM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821854189 606573027 /nfs/dbraw/zinc/57/30/27/606573027.db2.gz HRHJOGHDOLVJEN-LLVKDONJSA-N -1 1 357.395 2.190 20 0 FEADMM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821854189 606573029 /nfs/dbraw/zinc/57/30/29/606573029.db2.gz HRHJOGHDOLVJEN-LLVKDONJSA-N -1 1 357.395 2.190 20 0 FEADMM O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823182188 606589412 /nfs/dbraw/zinc/58/94/12/606589412.db2.gz ITIKZEWGUZGLFE-HNNXBMFYSA-N -1 1 352.423 2.022 20 0 FEADMM O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823182188 606589414 /nfs/dbraw/zinc/58/94/14/606589414.db2.gz ITIKZEWGUZGLFE-HNNXBMFYSA-N -1 1 352.423 2.022 20 0 FEADMM CC[S@](=O)CCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000810377117 674542470 /nfs/dbraw/zinc/54/24/70/674542470.db2.gz OGQZESYBIXCFHL-NRFANRHFSA-N -1 1 371.256 2.201 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823435903 606648398 /nfs/dbraw/zinc/64/83/98/606648398.db2.gz DCLCNHHVAGXKGD-WCQYABFASA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823435903 606648399 /nfs/dbraw/zinc/64/83/99/606648399.db2.gz DCLCNHHVAGXKGD-WCQYABFASA-N -1 1 357.320 2.387 20 0 FEADMM COc1ccc2[nH]cc(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2c1 ZINC000821845536 606648677 /nfs/dbraw/zinc/64/86/77/606648677.db2.gz HPCFLJWQDWCIMB-UHFFFAOYSA-N -1 1 364.365 2.038 20 0 FEADMM COc1ccc2[nH]cc(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2c1 ZINC000821845536 606648678 /nfs/dbraw/zinc/64/86/78/606648678.db2.gz HPCFLJWQDWCIMB-UHFFFAOYSA-N -1 1 364.365 2.038 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822501193 606649747 /nfs/dbraw/zinc/64/97/47/606649747.db2.gz ZVKCEZUADMSGIU-UHFFFAOYSA-N -1 1 369.429 2.017 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822501193 606649748 /nfs/dbraw/zinc/64/97/48/606649748.db2.gz ZVKCEZUADMSGIU-UHFFFAOYSA-N -1 1 369.429 2.017 20 0 FEADMM COc1cccc([C@H]2C[C@H]2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821863536 606651142 /nfs/dbraw/zinc/65/11/42/606651142.db2.gz MQJYUSYROTZIGJ-HUUCEWRRSA-N -1 1 351.366 2.117 20 0 FEADMM COc1cccc([C@H]2C[C@H]2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821863536 606651143 /nfs/dbraw/zinc/65/11/43/606651143.db2.gz MQJYUSYROTZIGJ-HUUCEWRRSA-N -1 1 351.366 2.117 20 0 FEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000822184686 606651986 /nfs/dbraw/zinc/65/19/86/606651986.db2.gz ZHCXZECTAOAZDM-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000822184686 606651987 /nfs/dbraw/zinc/65/19/87/606651987.db2.gz ZHCXZECTAOAZDM-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM COc1ccc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000821791042 606652658 /nfs/dbraw/zinc/65/26/58/606652658.db2.gz ZRICYGPASRBGBY-UHFFFAOYSA-N -1 1 357.345 2.085 20 0 FEADMM COc1ccc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC000821791042 606652659 /nfs/dbraw/zinc/65/26/59/606652659.db2.gz ZRICYGPASRBGBY-UHFFFAOYSA-N -1 1 357.345 2.085 20 0 FEADMM Cc1cc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822210449 606652805 /nfs/dbraw/zinc/65/28/05/606652805.db2.gz BWDMNUFMOBYHEN-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM Cc1cc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822210449 606652806 /nfs/dbraw/zinc/65/28/06/606652806.db2.gz BWDMNUFMOBYHEN-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM CCc1noc(CC)c1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000821554780 606684315 /nfs/dbraw/zinc/68/43/15/606684315.db2.gz SBFNOJPBXHWNHH-UHFFFAOYSA-N -1 1 372.433 2.112 20 0 FEADMM CCc1noc(CC)c1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000821554780 606684316 /nfs/dbraw/zinc/68/43/16/606684316.db2.gz SBFNOJPBXHWNHH-UHFFFAOYSA-N -1 1 372.433 2.112 20 0 FEADMM O=C(OCc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823431277 606751977 /nfs/dbraw/zinc/75/19/77/606751977.db2.gz OVYQOGFKDFYALY-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM O=C(OCc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823431277 606751978 /nfs/dbraw/zinc/75/19/78/606751978.db2.gz OVYQOGFKDFYALY-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM CCc1cccc2c1N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000821492553 606763411 /nfs/dbraw/zinc/76/34/11/606763411.db2.gz RAOURWIXVWAWGK-UHFFFAOYSA-N -1 1 373.413 2.320 20 0 FEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000821666995 606793189 /nfs/dbraw/zinc/79/31/89/606793189.db2.gz PBNIDTOZKKRABI-RYUDHWBXSA-N -1 1 359.430 2.277 20 0 FEADMM C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820697459 606842177 /nfs/dbraw/zinc/84/21/77/606842177.db2.gz HPTIXXPUAFGBCH-ZYHUDNBSSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735636276 606876100 /nfs/dbraw/zinc/87/61/00/606876100.db2.gz RTYNOVNBFODUEG-SSDOTTSWSA-N -1 1 371.854 2.080 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735636276 606876103 /nfs/dbraw/zinc/87/61/03/606876103.db2.gz RTYNOVNBFODUEG-SSDOTTSWSA-N -1 1 371.854 2.080 20 0 FEADMM CCc1nnc(Oc2cccc(C(=O)N(C)C)c2)c(-c2nnn[n-]2)c1CC ZINC000821548739 606921534 /nfs/dbraw/zinc/92/15/34/606921534.db2.gz WENFSRSVVDRSRU-UHFFFAOYSA-N -1 1 367.413 2.276 20 0 FEADMM CCc1nnc(Oc2cccc(C(=O)N(C)C)c2)c(-c2nn[n-]n2)c1CC ZINC000821548739 606921535 /nfs/dbraw/zinc/92/15/35/606921535.db2.gz WENFSRSVVDRSRU-UHFFFAOYSA-N -1 1 367.413 2.276 20 0 FEADMM CC[C@]1(C)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000820951369 606957612 /nfs/dbraw/zinc/95/76/12/606957612.db2.gz YOKSEOUCZKNMLB-GOSISDBHSA-N -1 1 358.446 2.165 20 0 FEADMM COc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)ccc1F ZINC000821702964 606959698 /nfs/dbraw/zinc/95/96/98/606959698.db2.gz JAKSUPVBTRCWIO-UHFFFAOYSA-N -1 1 359.365 2.218 20 0 FEADMM COc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)ccc1F ZINC000821702964 606959700 /nfs/dbraw/zinc/95/97/00/606959700.db2.gz JAKSUPVBTRCWIO-UHFFFAOYSA-N -1 1 359.365 2.218 20 0 FEADMM COc1cc(C(C)=O)c(OC)cc1OC(=O)c1sccc1-c1nn[n-]n1 ZINC000821707714 606966097 /nfs/dbraw/zinc/96/60/97/606966097.db2.gz CMESQVNHYOXSRP-UHFFFAOYSA-N -1 1 374.378 2.367 20 0 FEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000821310080 607032811 /nfs/dbraw/zinc/03/28/11/607032811.db2.gz WJRYYEQJDNWQKV-UHFFFAOYSA-N -1 1 358.427 2.408 20 0 FEADMM CC1(C)Cc2cc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)ccc2O1 ZINC000820607529 607034682 /nfs/dbraw/zinc/03/46/82/607034682.db2.gz UPLPPQHMFFJFOO-UHFFFAOYSA-N -1 1 371.422 2.381 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(-c2ccccc2F)on1 ZINC000823379716 607105534 /nfs/dbraw/zinc/10/55/34/607105534.db2.gz FWCUSLJOIKALSK-UHFFFAOYSA-N -1 1 357.330 2.370 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(-c2ccccc2F)on1 ZINC000823379716 607105535 /nfs/dbraw/zinc/10/55/35/607105535.db2.gz FWCUSLJOIKALSK-UHFFFAOYSA-N -1 1 357.330 2.370 20 0 FEADMM O=C(NCc1nnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823269339 607130970 /nfs/dbraw/zinc/13/09/70/607130970.db2.gz CWCUYWVJXUVFQG-UHFFFAOYSA-N -1 1 369.435 2.377 20 0 FEADMM O=C(NCc1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823269339 607130971 /nfs/dbraw/zinc/13/09/71/607130971.db2.gz CWCUYWVJXUVFQG-UHFFFAOYSA-N -1 1 369.435 2.377 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC000822903835 607146821 /nfs/dbraw/zinc/14/68/21/607146821.db2.gz PLALURQINYUAPX-UHFFFAOYSA-N -1 1 367.413 2.024 20 0 FEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(SC2CCCC2)cc1 ZINC000823136395 607207733 /nfs/dbraw/zinc/20/77/33/607207733.db2.gz YXIFYULFECFUDU-UHFFFAOYSA-N -1 1 370.442 2.132 20 0 FEADMM CC[C@@H](C)Sc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000820882250 607212174 /nfs/dbraw/zinc/21/21/74/607212174.db2.gz NIIIZAXJRNBJGK-LLVKDONJSA-N -1 1 372.458 2.296 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000823478346 607232540 /nfs/dbraw/zinc/23/25/40/607232540.db2.gz JOUJJSXATZOWAS-UHFFFAOYSA-N -1 1 350.382 2.020 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000823478346 607232541 /nfs/dbraw/zinc/23/25/41/607232541.db2.gz JOUJJSXATZOWAS-UHFFFAOYSA-N -1 1 350.382 2.020 20 0 FEADMM CC[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825081261 607786366 /nfs/dbraw/zinc/78/63/66/607786366.db2.gz HYPUVZATMVGZPY-NSHDSACASA-N -1 1 355.402 2.131 20 0 FEADMM CC[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825081261 607786367 /nfs/dbraw/zinc/78/63/67/607786367.db2.gz HYPUVZATMVGZPY-NSHDSACASA-N -1 1 355.402 2.131 20 0 FEADMM O=C1c2ccccc2C(=O)N1CCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826483250 607865560 /nfs/dbraw/zinc/86/55/60/607865560.db2.gz GTLAUXFHWFCYCO-UHFFFAOYSA-N -1 1 367.340 2.071 20 0 FEADMM O=C1c2ccccc2C(=O)N1CCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826483250 607865561 /nfs/dbraw/zinc/86/55/61/607865561.db2.gz GTLAUXFHWFCYCO-UHFFFAOYSA-N -1 1 367.340 2.071 20 0 FEADMM COC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1cccc(C)c1 ZINC000826103820 607899277 /nfs/dbraw/zinc/89/92/77/607899277.db2.gz LOZSXXGALZEZRX-AWEZNQCLSA-N -1 1 352.398 2.014 20 0 FEADMM COC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1cccc(C)c1 ZINC000826103820 607899278 /nfs/dbraw/zinc/89/92/78/607899278.db2.gz LOZSXXGALZEZRX-AWEZNQCLSA-N -1 1 352.398 2.014 20 0 FEADMM FC(F)(F)c1cc([C@@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC000826368606 607902327 /nfs/dbraw/zinc/90/23/27/607902327.db2.gz VWXJRSCTXPIIPG-SECBINFHSA-N -1 1 364.335 2.388 20 0 FEADMM FC(F)(F)c1cc([C@@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC000826368606 607902328 /nfs/dbraw/zinc/90/23/28/607902328.db2.gz VWXJRSCTXPIIPG-SECBINFHSA-N -1 1 364.335 2.388 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCc1cnc(C2CC2)nc1 ZINC000826523418 607904159 /nfs/dbraw/zinc/90/41/59/607904159.db2.gz MGPQFSAOPPWOQL-UHFFFAOYSA-N -1 1 359.397 2.132 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCc1cnc(C2CC2)nc1 ZINC000826523418 607904160 /nfs/dbraw/zinc/90/41/60/607904160.db2.gz MGPQFSAOPPWOQL-UHFFFAOYSA-N -1 1 359.397 2.132 20 0 FEADMM Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826337766 607997323 /nfs/dbraw/zinc/99/73/23/607997323.db2.gz AIJNHAOUVFIDGL-UHFFFAOYSA-N -1 1 354.248 2.140 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1Cn1cccn1 ZINC000826451061 607997660 /nfs/dbraw/zinc/99/76/60/607997660.db2.gz OBVIVISVSPRILI-UHFFFAOYSA-N -1 1 361.365 2.069 20 0 FEADMM CCc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1CC(C)C ZINC000825688410 607998035 /nfs/dbraw/zinc/99/80/35/607998035.db2.gz YUVNMZVEBVXLQD-UHFFFAOYSA-N -1 1 355.402 2.240 20 0 FEADMM COc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826191179 607999344 /nfs/dbraw/zinc/99/93/44/607999344.db2.gz ZJCKJZJYKVTKNP-NSHDSACASA-N -1 1 353.382 2.398 20 0 FEADMM Cc1oc(NC(=O)[C@@H](C)N2CC3(C2)CC(F)(F)C3)c(-c2nn[n-]n2)c1C ZINC000826341771 608044190 /nfs/dbraw/zinc/04/41/90/608044190.db2.gz PPQDNEHOBIKKLR-SECBINFHSA-N -1 1 366.372 2.135 20 0 FEADMM Cc1oc(NC(=O)CN2CCCOc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826341921 608063860 /nfs/dbraw/zinc/06/38/60/608063860.db2.gz SWMKTRDSARKSKX-UHFFFAOYSA-N -1 1 368.397 2.304 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC12CCC2 ZINC000824961353 608155266 /nfs/dbraw/zinc/15/52/66/608155266.db2.gz BUMKFERLQXKWRS-LLVKDONJSA-N -1 1 365.434 2.207 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC12CCC2 ZINC000824961353 608155268 /nfs/dbraw/zinc/15/52/68/608155268.db2.gz BUMKFERLQXKWRS-LLVKDONJSA-N -1 1 365.434 2.207 20 0 FEADMM CC(C)(C)OC(=O)NC(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824162628 608199333 /nfs/dbraw/zinc/19/93/33/608199333.db2.gz KFBDUAYBLURYFU-UHFFFAOYSA-N -1 1 367.431 2.388 20 0 FEADMM CC(C)(C)OC(=O)NC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824162628 608199335 /nfs/dbraw/zinc/19/93/35/608199335.db2.gz KFBDUAYBLURYFU-UHFFFAOYSA-N -1 1 367.431 2.388 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492555 608268602 /nfs/dbraw/zinc/26/86/02/608268602.db2.gz QVPSHCODAMQQJO-UHFFFAOYSA-N -1 1 368.378 2.323 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826485566 608341505 /nfs/dbraw/zinc/34/15/05/608341505.db2.gz VNTRELSQTAKDKX-UHFFFAOYSA-N -1 1 370.312 2.193 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826485566 608341506 /nfs/dbraw/zinc/34/15/06/608341506.db2.gz VNTRELSQTAKDKX-UHFFFAOYSA-N -1 1 370.312 2.193 20 0 FEADMM CC(=O)c1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c(F)c1 ZINC000824024798 608505939 /nfs/dbraw/zinc/50/59/39/608505939.db2.gz PXEQUVVKCJZXNL-UHFFFAOYSA-N -1 1 370.388 2.124 20 0 FEADMM CC(=O)c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c(F)c1 ZINC000824024798 608505940 /nfs/dbraw/zinc/50/59/40/608505940.db2.gz PXEQUVVKCJZXNL-UHFFFAOYSA-N -1 1 370.388 2.124 20 0 FEADMM Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000826262928 608544095 /nfs/dbraw/zinc/54/40/95/608544095.db2.gz DESMEDBTEBVCAZ-UHFFFAOYSA-N -1 1 354.414 2.455 20 0 FEADMM Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000826262928 608544097 /nfs/dbraw/zinc/54/40/97/608544097.db2.gz DESMEDBTEBVCAZ-UHFFFAOYSA-N -1 1 354.414 2.455 20 0 FEADMM CC(C)c1nc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)no1 ZINC000824358883 608662474 /nfs/dbraw/zinc/66/24/74/608662474.db2.gz RDSAEKBBXQNSHQ-NSHDSACASA-N -1 1 361.431 2.008 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000826425264 608891574 /nfs/dbraw/zinc/89/15/74/608891574.db2.gz WIWIRAYWXLOLNC-QGZVFWFLSA-N -1 1 373.420 2.163 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000826425264 608891576 /nfs/dbraw/zinc/89/15/76/608891576.db2.gz WIWIRAYWXLOLNC-QGZVFWFLSA-N -1 1 373.420 2.163 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000826357295 609158346 /nfs/dbraw/zinc/15/83/46/609158346.db2.gz ZIKJAXYIIRSHRQ-CFYYFVFUSA-N -1 1 364.413 2.310 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000826357295 609158348 /nfs/dbraw/zinc/15/83/48/609158348.db2.gz ZIKJAXYIIRSHRQ-CFYYFVFUSA-N -1 1 364.413 2.310 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(CF)cc1 ZINC000826294811 609267676 /nfs/dbraw/zinc/26/76/76/609267676.db2.gz DOYOIVSTUQLPSZ-UHFFFAOYSA-N -1 1 350.357 2.403 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000826272902 609274068 /nfs/dbraw/zinc/27/40/68/609274068.db2.gz GSRAQVNLQDVZJV-UHFFFAOYSA-N -1 1 373.394 2.013 20 0 FEADMM O=C(C=Cc1ccco1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826402856 609288136 /nfs/dbraw/zinc/28/81/36/609288136.db2.gz DMMUGXQKHYTHOF-SREVYHEPSA-N -1 1 365.328 2.436 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824506707 609432687 /nfs/dbraw/zinc/43/26/87/609432687.db2.gz PWWKJAREEJXQED-NWDGAFQWSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824506707 609432691 /nfs/dbraw/zinc/43/26/91/609432691.db2.gz PWWKJAREEJXQED-NWDGAFQWSA-N -1 1 359.434 2.001 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826346413 609469107 /nfs/dbraw/zinc/46/91/07/609469107.db2.gz LTOVGCNSGUOWSU-DYZYQPBXSA-N -1 1 352.398 2.145 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826346413 609469109 /nfs/dbraw/zinc/46/91/09/609469109.db2.gz LTOVGCNSGUOWSU-DYZYQPBXSA-N -1 1 352.398 2.145 20 0 FEADMM CCn1c2ccc(C)cc2nc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825793405 609470130 /nfs/dbraw/zinc/47/01/30/609470130.db2.gz SWQKKJXPRIQLIR-UHFFFAOYSA-N -1 1 366.385 2.022 20 0 FEADMM CCn1c2ccc(C)cc2nc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825793405 609470133 /nfs/dbraw/zinc/47/01/33/609470133.db2.gz SWQKKJXPRIQLIR-UHFFFAOYSA-N -1 1 366.385 2.022 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(F)cc1C ZINC000826294884 609490580 /nfs/dbraw/zinc/49/05/80/609490580.db2.gz HQCRWMZUEAHJJH-UHFFFAOYSA-N -1 1 350.357 2.381 20 0 FEADMM CCc1nn(C[C@@H]2CCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763169 609514567 /nfs/dbraw/zinc/51/45/67/609514567.db2.gz QVVNAOYCSISZGD-ZDUSSCGKSA-N -1 1 350.426 2.278 20 0 FEADMM O=C(N=c1nc(Sc2ccccc2)[n-]s1)NCc1n[nH]c(C2CC2)n1 ZINC000560416175 674585476 /nfs/dbraw/zinc/58/54/76/674585476.db2.gz NLEWQLIQHSNDOO-UHFFFAOYSA-N -1 1 373.467 2.428 20 0 FEADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000811836369 674633030 /nfs/dbraw/zinc/63/30/30/674633030.db2.gz QMNKXWLXAUZQEI-UHFFFAOYSA-N -1 1 374.871 2.389 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000561905997 674706851 /nfs/dbraw/zinc/70/68/51/674706851.db2.gz JVLPOZLQVQIQAS-UHFFFAOYSA-N -1 1 352.343 2.148 20 0 FEADMM O=c1cnc2cc(S(=O)(=O)[N-]c3cccc(OC(F)F)c3)ccc2[nH]1 ZINC000562477606 674760943 /nfs/dbraw/zinc/76/09/43/674760943.db2.gz PJUUWJOHDDMBFN-UHFFFAOYSA-N -1 1 367.333 2.325 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000562497209 674762829 /nfs/dbraw/zinc/76/28/29/674762829.db2.gz ANVIPKDMKQPXFY-LBPRGKRZSA-N -1 1 364.471 2.247 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc(OC)c1C ZINC000814214441 674826670 /nfs/dbraw/zinc/82/66/70/674826670.db2.gz DOCDAJHQGBJTQA-UHFFFAOYSA-N -1 1 363.391 2.483 20 0 FEADMM CC(=O)c1ccccc1NC(C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814370004 674834353 /nfs/dbraw/zinc/83/43/53/674834353.db2.gz OZBHYDRIMVLTKR-RVDMUPIBSA-N -1 1 359.451 2.474 20 0 FEADMM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1cnn(CC2CC2)c1 ZINC000815068958 674910527 /nfs/dbraw/zinc/91/05/27/674910527.db2.gz JHPNQZYRVAKYLB-SNVBAGLBSA-N -1 1 366.390 2.332 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000564334506 674997331 /nfs/dbraw/zinc/99/73/31/674997331.db2.gz UPHQUSXAKBJQAI-LLVKDONJSA-N -1 1 358.423 2.667 20 0 FEADMM CC[C@](O)(C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1cccc(Cl)c1 ZINC000816525316 675062449 /nfs/dbraw/zinc/06/24/49/675062449.db2.gz NSQJCKIDBZIOAD-QGZVFWFLSA-N -1 1 365.817 2.432 20 0 FEADMM O=C(CNC(=O)c1cccs1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007563705 669971853 /nfs/dbraw/zinc/97/18/53/669971853.db2.gz KFNYTSXOJKZFGU-UHFFFAOYSA-N -1 1 359.359 2.033 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nncs2)cc1 ZINC000021214726 670032148 /nfs/dbraw/zinc/03/21/48/670032148.db2.gz MVAAMDAOJAANKH-UHFFFAOYSA-N -1 1 362.440 2.497 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000021944227 670036500 /nfs/dbraw/zinc/03/65/00/670036500.db2.gz QDIPUXVXVHCVGQ-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000022409654 670040527 /nfs/dbraw/zinc/04/05/27/670040527.db2.gz QVWBRBHLQKAKOL-UHFFFAOYSA-N -1 1 368.480 2.477 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000026154530 670067915 /nfs/dbraw/zinc/06/79/15/670067915.db2.gz ILBHFAXOIWJLCV-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000564920399 675077182 /nfs/dbraw/zinc/07/71/82/675077182.db2.gz GYYCMFSONWYXGU-UHFFFAOYSA-N -1 1 363.395 2.203 20 0 FEADMM CCC(NCCCSc1ccc(F)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000031434980 670121237 /nfs/dbraw/zinc/12/12/37/670121237.db2.gz TXGLPYNUIOVUFO-UHFFFAOYSA-N -1 1 367.471 2.093 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1 ZINC000043588521 670177160 /nfs/dbraw/zinc/17/71/60/670177160.db2.gz QXYKCTUAVUUEJR-UHFFFAOYSA-N -1 1 360.313 2.485 20 0 FEADMM COc1ccc(NC(=O)COc2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000044036176 670182872 /nfs/dbraw/zinc/18/28/72/670182872.db2.gz VTEKPCPDKZLLIG-UHFFFAOYSA-N -1 1 364.423 2.393 20 0 FEADMM O=C(COC(=O)[C@H]1CCCc2ccccc21)N[N-]C(=O)c1cccs1 ZINC000044422533 670190042 /nfs/dbraw/zinc/19/00/42/670190042.db2.gz AOHUMFCOWVDWCI-AWEZNQCLSA-N -1 1 358.419 2.172 20 0 FEADMM CON(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000045053131 670199751 /nfs/dbraw/zinc/19/97/51/670199751.db2.gz WIPGKKJIEKIGQR-UHFFFAOYSA-N -1 1 352.387 2.189 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cc(Br)ccc21)c1nn[n-]n1 ZINC000565021293 675087169 /nfs/dbraw/zinc/08/71/69/675087169.db2.gz UIGKGBMZGAVLJJ-TVQRCGJNSA-N -1 1 364.247 2.254 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)o1 ZINC000046315167 670220773 /nfs/dbraw/zinc/22/07/73/670220773.db2.gz CTKBVEYMICIXBQ-SECBINFHSA-N -1 1 371.798 2.269 20 0 FEADMM CCc1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])sc1C ZINC000055281092 670348858 /nfs/dbraw/zinc/34/88/58/670348858.db2.gz WUIZSGJNVDQJCW-UHFFFAOYSA-N -1 1 355.441 2.343 20 0 FEADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000055632078 670353285 /nfs/dbraw/zinc/35/32/85/670353285.db2.gz ARPIAEKAASWSHG-UHFFFAOYSA-N -1 1 364.379 2.452 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c1Cl ZINC000056056655 670357415 /nfs/dbraw/zinc/35/74/15/670357415.db2.gz JQNKCAGTZOXZTE-UHFFFAOYSA-N -1 1 352.803 2.207 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)Nc1ccc(F)cc1 ZINC000058048377 670374609 /nfs/dbraw/zinc/37/46/09/670374609.db2.gz HBIQOCRPMQFSGO-UHFFFAOYSA-N -1 1 362.304 2.160 20 0 FEADMM CC(C)(C)OC(=O)NCCC(C)(C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000817148331 675105509 /nfs/dbraw/zinc/10/55/09/675105509.db2.gz NIGIKTWTETVQRO-UHFFFAOYSA-N -1 1 366.871 2.035 20 0 FEADMM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCOCC1 ZINC000817154279 675106484 /nfs/dbraw/zinc/10/64/84/675106484.db2.gz OBEFMNQOQXZVRB-SECBINFHSA-N -1 1 369.270 2.251 20 0 FEADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066625909 670445238 /nfs/dbraw/zinc/44/52/38/670445238.db2.gz XZYYWQCQZPCVTL-SECBINFHSA-N -1 1 365.484 2.233 20 0 FEADMM CC(=O)N[C@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)c1cccs1 ZINC000066639455 670445807 /nfs/dbraw/zinc/44/58/07/670445807.db2.gz HOVOGGIKMAZOMV-LLVKDONJSA-N -1 1 367.500 2.467 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1csc(-c2ncccn2)n1 ZINC000066638278 670445830 /nfs/dbraw/zinc/44/58/30/670445830.db2.gz VGOYZOFGICMGRU-UHFFFAOYSA-N -1 1 359.440 2.119 20 0 FEADMM CCC[C@H](C)N1C[C@@H](C(=O)NCCc2n[n-]c(=S)n2C(C)C)CC1=O ZINC000067074025 670452533 /nfs/dbraw/zinc/45/25/33/670452533.db2.gz JEGHRJJERLCUHG-STQMWFEESA-N -1 1 367.519 2.217 20 0 FEADMM CC(=O)Nc1ccc(CC(=O)NCCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000067075125 670452799 /nfs/dbraw/zinc/45/27/99/670452799.db2.gz ZCYOWDIXELDXFD-UHFFFAOYSA-N -1 1 361.471 2.381 20 0 FEADMM CC(=O)N[C@@H](C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1)C(C)C ZINC000068424635 670470824 /nfs/dbraw/zinc/47/08/24/670470824.db2.gz BBMMADZCZOQUBR-CQSZACIVSA-N -1 1 365.503 2.142 20 0 FEADMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092009 670494011 /nfs/dbraw/zinc/49/40/11/670494011.db2.gz JETUYOSWGYJALC-UHFFFAOYSA-N -1 1 363.330 2.115 20 0 FEADMM COC(=O)c1ccc(OCCNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000569411195 670554957 /nfs/dbraw/zinc/55/49/57/670554957.db2.gz ZFZMMBARLNZIDB-UHFFFAOYSA-N -1 1 351.305 2.266 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)s1 ZINC000569417729 670556107 /nfs/dbraw/zinc/55/61/07/670556107.db2.gz FDNFWZALVNWXPN-UHFFFAOYSA-N -1 1 373.383 2.102 20 0 FEADMM O=S1(=O)Nc2ccccc2N1CCN=c1nc(C2CCCC2)[n-]s1 ZINC000569468467 670564989 /nfs/dbraw/zinc/56/49/89/670564989.db2.gz OKTICQOTCLXUPX-UHFFFAOYSA-N -1 1 365.484 2.206 20 0 FEADMM O=S(=O)(CC1CCOCC1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000569897201 670629792 /nfs/dbraw/zinc/62/97/92/670629792.db2.gz MCWAZZLAGWAYNX-UHFFFAOYSA-N -1 1 371.846 2.237 20 0 FEADMM O=S(=O)(CC1CCOCC1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000569897201 670629795 /nfs/dbraw/zinc/62/97/95/670629795.db2.gz MCWAZZLAGWAYNX-UHFFFAOYSA-N -1 1 371.846 2.237 20 0 FEADMM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000089339958 670700147 /nfs/dbraw/zinc/70/01/47/670700147.db2.gz XODRWUFTVQXBKN-HQJQHLMTSA-N -1 1 360.266 2.387 20 0 FEADMM CO[C@@H](C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)C1CC1 ZINC000817490008 675138196 /nfs/dbraw/zinc/13/81/96/675138196.db2.gz KHWIWQKSKQTZFI-GXTWGEPZSA-N -1 1 356.344 2.048 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c1Cl ZINC000102660343 670775375 /nfs/dbraw/zinc/77/53/75/670775375.db2.gz WZDOFAZWNFFWOJ-UHFFFAOYSA-N -1 1 352.803 2.207 20 0 FEADMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cnn([C@H]2CCOC2)c1 ZINC000571349252 670860488 /nfs/dbraw/zinc/86/04/88/670860488.db2.gz UUMKPMBSTOHAIS-JTQLQIEISA-N -1 1 369.830 2.234 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2[C@@H](C)C[C@@H]2C)c(F)c1 ZINC000565757038 675148873 /nfs/dbraw/zinc/14/88/73/675148873.db2.gz WLOFPFSWNCRJIN-QWRGUYRKSA-N -1 1 364.464 2.149 20 0 FEADMM CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000115577917 670897718 /nfs/dbraw/zinc/89/77/18/670897718.db2.gz LUDIOHYLAPBREG-ZETCQYMHSA-N -1 1 368.224 2.452 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000571924652 670941139 /nfs/dbraw/zinc/94/11/39/670941139.db2.gz HBOYKKLNLCCVLO-MWLCHTKSSA-N -1 1 361.345 2.418 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000571924655 670941207 /nfs/dbraw/zinc/94/12/07/670941207.db2.gz HBOYKKLNLCCVLO-ONGXEEELSA-N -1 1 361.345 2.418 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000572163990 670968742 /nfs/dbraw/zinc/96/87/42/670968742.db2.gz JMIXBWCRHHBWHQ-ICCXJUOJSA-N -1 1 350.415 2.032 20 0 FEADMM CCCc1nc(=NC(=O)NCCc2nnc(-c3ccccc3)[nH]2)s[n-]1 ZINC000573369000 671114612 /nfs/dbraw/zinc/11/46/12/671114612.db2.gz OIUCKMSJKCFFAG-UHFFFAOYSA-N -1 1 357.443 2.062 20 0 FEADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCCS1(=O)=O ZINC000574053735 671197398 /nfs/dbraw/zinc/19/73/98/671197398.db2.gz RFEBPFWBWBESCC-SECBINFHSA-N -1 1 368.636 2.324 20 0 FEADMM O=C(NCc1nnc2n1CCCC2)c1c([O-])cnc2ccc(Cl)cc21 ZINC000574221641 671215919 /nfs/dbraw/zinc/21/59/19/671215919.db2.gz NCTNEXMPOGWFIV-UHFFFAOYSA-N -1 1 357.801 2.452 20 0 FEADMM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000818049568 675193409 /nfs/dbraw/zinc/19/34/09/675193409.db2.gz SGURQYAXWHGKEU-UHFFFAOYSA-N -1 1 356.419 2.121 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc(C)c2ccccc2n1 ZINC000576638803 671383486 /nfs/dbraw/zinc/38/34/86/671383486.db2.gz DVYRUOOJNQUZIQ-UHFFFAOYSA-N -1 1 355.423 2.394 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)o1 ZINC000609351927 675919650 /nfs/dbraw/zinc/91/96/50/675919650.db2.gz DSHGCSYFDSTSHM-UHFFFAOYSA-N -1 1 360.391 2.135 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)[C@H]1CCC[C@@H](OC)C1 ZINC000577877990 671626257 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C[C@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1F ZINC000119804686 671908845 /nfs/dbraw/zinc/90/88/45/671908845.db2.gz UTBQZCPKVRJIKF-HNNXBMFYSA-N -1 1 363.332 2.429 20 0 FEADMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000120128222 671917776 /nfs/dbraw/zinc/91/77/76/671917776.db2.gz NWQQZEFYMPSLEC-ZDUSSCGKSA-N -1 1 366.439 2.349 20 0 FEADMM Cc1nc2n(n1)C[C@@H](NC(=O)c1c([O-])cnc3ccc(Cl)cc31)CC2 ZINC000581679126 671924465 /nfs/dbraw/zinc/92/44/65/671924465.db2.gz HYIWTUZZZZIBCT-NSHDSACASA-N -1 1 357.801 2.239 20 0 FEADMM CCc1nc(S[C@H](C(=O)NC[C@H]2CCCO2)C(C)C)[n-]c(=O)c1C ZINC000582557859 672013339 /nfs/dbraw/zinc/01/33/39/672013339.db2.gz VUKZRSLWHFWOCJ-OCCSQVGLSA-N -1 1 353.488 2.465 20 0 FEADMM O=C(CSCc1cc(=O)n2ccsc2n1)Nc1c([O-])cccc1F ZINC000610339773 675967335 /nfs/dbraw/zinc/96/73/35/675967335.db2.gz NUBJEJIHXZCURG-UHFFFAOYSA-N -1 1 365.411 2.473 20 0 FEADMM CCOC(=O)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000132854635 672102794 /nfs/dbraw/zinc/10/27/94/672102794.db2.gz 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NC(=O)Nc1cccc(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000188336226 672588876 /nfs/dbraw/zinc/58/88/76/672588876.db2.gz VZBSAGCYXKCPKR-UHFFFAOYSA-N -1 1 351.160 2.293 20 0 FEADMM CCNS(=O)(=O)c1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000680593918 672590769 /nfs/dbraw/zinc/59/07/69/672590769.db2.gz CULQBYQNDZHZKI-UHFFFAOYSA-N -1 1 352.387 2.011 20 0 FEADMM O=S(=O)(Cc1noc2ccccc21)[N-][C@H](CO)c1c(F)cccc1F ZINC000680623322 672592951 /nfs/dbraw/zinc/59/29/51/672592951.db2.gz JXJUSBFWXJUOMT-CYBMUJFWSA-N -1 1 368.361 2.259 20 0 FEADMM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cnc(C4CC4)nc3)c1)CCC2 ZINC000590695965 672603453 /nfs/dbraw/zinc/60/34/53/672603453.db2.gz KWTUVYQLYIVAEY-UHFFFAOYSA-N -1 1 359.407 2.342 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)c2cnccc2C)CCc2ccccc21 ZINC000590747093 672608688 /nfs/dbraw/zinc/60/86/88/672608688.db2.gz RSSJSBCLRCHAOS-GOSISDBHSA-N -1 1 360.435 2.073 20 0 FEADMM O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1nc(Br)ccc1[O-] ZINC000189977198 672628336 /nfs/dbraw/zinc/62/83/36/672628336.db2.gz 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COc1ccccc1C[C@@H]([N-]S(=O)(=O)c1c(C)onc1N)C(C)C ZINC000685501380 673015635 /nfs/dbraw/zinc/01/56/35/673015635.db2.gz FSVGLRMSHLUPKW-CYBMUJFWSA-N -1 1 353.444 2.119 20 0 FEADMM CCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN(C)C)cc1C(=O)[O-] ZINC000325857976 673051071 /nfs/dbraw/zinc/05/10/71/673051071.db2.gz HIQISIJMJZINCM-AWEZNQCLSA-N -1 1 356.488 2.202 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000327339390 673059081 /nfs/dbraw/zinc/05/90/81/673059081.db2.gz GDWXJRIOJGGFGK-INIZCTEOSA-N -1 1 366.483 2.196 20 0 FEADMM CCC[C@H](C[N-]S(=O)(=O)c1ccc(Br)nc1F)OC ZINC000859174036 683050461 /nfs/dbraw/zinc/05/04/61/683050461.db2.gz PAKPOBANONJFFX-MRVPVSSYSA-N -1 1 355.229 2.077 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCCOC(C)C)c1F ZINC000594444254 673072192 /nfs/dbraw/zinc/07/21/92/673072192.db2.gz NIPITCCKEFBGHR-UHFFFAOYSA-N -1 1 367.826 2.359 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CSC[C@H]2C)c1F ZINC000594467273 673078233 /nfs/dbraw/zinc/07/82/33/673078233.db2.gz UDKIMZYIXOSZPQ-GMSGAONNSA-N -1 1 367.851 2.296 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])CCO1 ZINC000720483546 673080736 /nfs/dbraw/zinc/08/07/36/673080736.db2.gz ONSYJCOVICNEPI-SECBINFHSA-N -1 1 361.179 2.248 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)sc1C ZINC000333288378 673098397 /nfs/dbraw/zinc/09/83/97/673098397.db2.gz QWPXEIGEKNJBLB-IINYFYTJSA-N -1 1 365.480 2.232 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c(F)c1 ZINC000594857636 673166731 /nfs/dbraw/zinc/16/67/31/673166731.db2.gz MMSDYDIJYARTGW-ZDUSSCGKSA-N -1 1 351.346 2.326 20 0 FEADMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000594864519 673170434 /nfs/dbraw/zinc/17/04/34/673170434.db2.gz GHVMTFRQYNZNHX-MRXNPFEDSA-N -1 1 370.402 2.052 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1 ZINC000594865540 673170878 /nfs/dbraw/zinc/17/08/78/673170878.db2.gz UZACEUUTCICQFI-CHWSQXEVSA-N -1 1 371.455 2.471 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCCC2)c(F)c1 ZINC000728290446 673197435 /nfs/dbraw/zinc/19/74/35/673197435.db2.gz MEZCCOAXFJWVMQ-UHFFFAOYSA-N -1 1 364.464 2.152 20 0 FEADMM Cc1cccn2cc(COC(=O)c3sccc3[N-]S(C)(=O)=O)nc12 ZINC000728328976 673198771 /nfs/dbraw/zinc/19/87/71/673198771.db2.gz FOZRLPPPWMZNGU-UHFFFAOYSA-N -1 1 365.436 2.433 20 0 FEADMM CCOc1ccccc1CC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595309748 673220810 /nfs/dbraw/zinc/22/08/10/673220810.db2.gz BCSZNLDTUNKDRV-UHFFFAOYSA-N -1 1 367.423 2.294 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)cc1C ZINC000595330102 673225873 /nfs/dbraw/zinc/22/58/73/673225873.db2.gz IZYDNQGAZLLNSQ-CHWSQXEVSA-N -1 1 359.444 2.247 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3cccc(OC)c3)CCC2)o1 ZINC000595373162 673236002 /nfs/dbraw/zinc/23/60/02/673236002.db2.gz XECDTIOFRLVXMJ-UHFFFAOYSA-N -1 1 365.407 2.433 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)no1 ZINC000462491849 673254254 /nfs/dbraw/zinc/25/42/54/673254254.db2.gz SJJHMCVGWHMROU-UHFFFAOYSA-N -1 1 367.818 2.004 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H](C)CC ZINC000462584230 673266129 /nfs/dbraw/zinc/26/61/29/673266129.db2.gz IZURIGBXIONQLB-SDBXPKJASA-N -1 1 353.362 2.360 20 0 FEADMM CN(C(=O)c1ccc(I)c([O-])c1)c1nncs1 ZINC000463075215 673296015 /nfs/dbraw/zinc/29/60/15/673296015.db2.gz NUXCHIKWDPBSDH-UHFFFAOYSA-N -1 1 361.164 2.125 20 0 FEADMM C[C@](CO)(C[N-]S(=O)(=O)c1cc(F)ccc1F)Cc1ccccc1 ZINC000480867738 673319861 /nfs/dbraw/zinc/31/98/61/673319861.db2.gz MELUOBVYINAHIL-QGZVFWFLSA-N -1 1 355.406 2.484 20 0 FEADMM C[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000613556410 676133779 /nfs/dbraw/zinc/13/37/79/676133779.db2.gz VMNCTUFCERSQCP-PKPZWWHKSA-N -1 1 367.812 2.403 20 0 FEADMM COC(=O)[C@H](CN=c1nc(C2CCOCC2)[n-]s1)c1ccc(F)cc1 ZINC000596211410 673368401 /nfs/dbraw/zinc/36/84/01/673368401.db2.gz RPRPFVOQJVYAJN-CQSZACIVSA-N -1 1 365.430 2.362 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)n1 ZINC000732571189 673372794 /nfs/dbraw/zinc/37/27/94/673372794.db2.gz QWLKSHUNPSYUCM-HNNXBMFYSA-N -1 1 367.427 2.215 20 0 FEADMM Cc1cccc(OCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1C ZINC000536739113 673379333 /nfs/dbraw/zinc/37/93/33/673379333.db2.gz OVUXRRSHHZCUPQ-UHFFFAOYSA-N -1 1 364.423 2.064 20 0 FEADMM CCCN(C)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000537850411 673411233 /nfs/dbraw/zinc/41/12/33/673411233.db2.gz KCLAONRCXHHOFT-UHFFFAOYSA-N -1 1 363.439 2.138 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1 ZINC000538138644 673423817 /nfs/dbraw/zinc/42/38/17/673423817.db2.gz LPOHNFLRQURGQH-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM CC(C)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)OCc1ccccc1 ZINC000733798949 673438304 /nfs/dbraw/zinc/43/83/04/673438304.db2.gz KWFSZUPEYKZOLB-SJORKVTESA-N -1 1 369.483 2.243 20 0 FEADMM COc1ccsc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000538880432 673464269 /nfs/dbraw/zinc/46/42/69/673464269.db2.gz DTKZCZSYLNOMSF-UHFFFAOYSA-N -1 1 368.436 2.155 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1CC(=O)[O-] ZINC000539238594 673480429 /nfs/dbraw/zinc/48/04/29/673480429.db2.gz MWHCDJQXLPWJNV-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1 ZINC000539238833 673480508 /nfs/dbraw/zinc/48/05/08/673480508.db2.gz PVSJFNGOPHXZCP-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM Cc1nc(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)[n-]c(=O)c1C ZINC000539615487 673498625 /nfs/dbraw/zinc/49/86/25/673498625.db2.gz GGGWDNMORFEVHR-SNVBAGLBSA-N -1 1 359.407 2.493 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000736161070 673513738 /nfs/dbraw/zinc/51/37/38/673513738.db2.gz FIFPLQDFRVMJFQ-UHFFFAOYSA-N -1 1 361.837 2.048 20 0 FEADMM C[C@@]12COC[C@@H]1CN(C(=O)c1ccc(I)c([O-])c1)C2 ZINC000598230282 673550527 /nfs/dbraw/zinc/55/05/27/673550527.db2.gz UVFLEBVMUYZANN-IINYFYTJSA-N -1 1 373.190 2.105 20 0 FEADMM COc1c(C)cnc(COC(=O)c2sccc2[N-]S(C)(=O)=O)c1C ZINC000736789664 673539763 /nfs/dbraw/zinc/53/97/63/673539763.db2.gz IHBHSYSZWNZZQH-UHFFFAOYSA-N -1 1 370.452 2.497 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000543396748 673644345 /nfs/dbraw/zinc/64/43/45/673644345.db2.gz OZLOHKNTKPWLJO-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM O=C(CSc1cc(Cl)ccc1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737943187 673590010 /nfs/dbraw/zinc/59/00/10/673590010.db2.gz QAVORMZEIRBICU-JTQLQIEISA-N -1 1 374.253 2.199 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cc(OC)ccc2F)cc1C ZINC000598623223 673591953 /nfs/dbraw/zinc/59/19/53/673591953.db2.gz WCHAPKUXUFQKGF-UHFFFAOYSA-N -1 1 357.359 2.001 20 0 FEADMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599239229 673646474 /nfs/dbraw/zinc/64/64/74/673646474.db2.gz WJZJOUAXIJMTNH-NSHDSACASA-N -1 1 365.398 2.235 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)CC2(C)OCCO2)c(=O)[n-]1 ZINC000740731971 673651507 /nfs/dbraw/zinc/65/15/07/673651507.db2.gz QLXRDLHWGPMLJO-NSHDSACASA-N -1 1 369.487 2.051 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000543728425 673666273 /nfs/dbraw/zinc/66/62/73/673666273.db2.gz OQWPNKNUGZDWHA-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(F)c1 ZINC000543863195 673675057 /nfs/dbraw/zinc/67/50/57/673675057.db2.gz NZINLKFXJCZYII-UHFFFAOYSA-N -1 1 363.292 2.139 20 0 FEADMM C[C@H](O)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000544027692 673684257 /nfs/dbraw/zinc/68/42/57/673684257.db2.gz IUOHYPXJBWEZRY-KBPBESRZSA-N -1 1 362.451 2.377 20 0 FEADMM O=C1NCCN1c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000741649364 673692825 /nfs/dbraw/zinc/69/28/25/673692825.db2.gz QMSSKACOQVDXAI-UHFFFAOYSA-N -1 1 371.340 2.434 20 0 FEADMM c1cncc(-c2nc3sc4c(c3c(NCc3nn[n-]n3)n2)CCC4)c1 ZINC000599950168 673729666 /nfs/dbraw/zinc/72/96/66/673729666.db2.gz PRDNSDKHUVTIRL-UHFFFAOYSA-N -1 1 350.411 2.367 20 0 FEADMM COCCC(C)(C)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000544787181 673733004 /nfs/dbraw/zinc/73/30/04/673733004.db2.gz DPXVIHSKKALLCD-UHFFFAOYSA-N -1 1 359.448 2.003 20 0 FEADMM Cc1ncc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)s1 ZINC000745515656 673839691 /nfs/dbraw/zinc/83/96/91/673839691.db2.gz YQQLCXMYGBPMAN-UHFFFAOYSA-N -1 1 370.333 2.166 20 0 FEADMM CCOC(=O)C1(Cc2nc(-c3ccc([O-])cc3F)no2)CCOCC1 ZINC000601373052 673850420 /nfs/dbraw/zinc/85/04/20/673850420.db2.gz OFRDSBZFXHZOAX-UHFFFAOYSA-N -1 1 350.346 2.484 20 0 FEADMM CCOc1cc(NS(=O)(=O)c2cccnc2)c(C(=O)[O-])cc1OCC ZINC000547553243 673862420 /nfs/dbraw/zinc/86/24/20/673862420.db2.gz AGXHUXMKIDRZLI-UHFFFAOYSA-N -1 1 366.395 2.378 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)CC(F)(F)F)c1 ZINC000615054067 676200613 /nfs/dbraw/zinc/20/06/13/676200613.db2.gz MMGISIFULBZLSM-UHFFFAOYSA-N -1 1 354.350 2.217 20 0 FEADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)C[C@H](C)N1 ZINC000818554185 675224991 /nfs/dbraw/zinc/22/49/91/675224991.db2.gz MDMHSXSPYRJMDT-STQMWFEESA-N -1 1 361.467 2.034 20 0 FEADMM Cc1c(C(=O)[O-])sc2ncnc(NCCCCN3CCOCC3)c12 ZINC000567981465 675340759 /nfs/dbraw/zinc/34/07/59/675340759.db2.gz KWWRWFCUJQYVFV-UHFFFAOYSA-N -1 1 350.444 2.222 20 0 FEADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ccn(CCc3ccncc3)n2)C1 ZINC000568332291 675366402 /nfs/dbraw/zinc/36/64/02/675366402.db2.gz PDLJHWYRWYKLQM-GASCZTMLSA-N -1 1 363.487 2.155 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000568376442 675369267 /nfs/dbraw/zinc/36/92/67/675369267.db2.gz PCUVHUWTLNKBMF-MRVPVSSYSA-N -1 1 363.361 2.666 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000568396608 675371375 /nfs/dbraw/zinc/37/13/75/675371375.db2.gz PUKNFXIOCKWCIG-OLZOCXBDSA-N -1 1 350.415 2.176 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2Br)c(C)c1 ZINC000568511891 675380021 /nfs/dbraw/zinc/38/00/21/675380021.db2.gz ZVSIMYUPICCGHW-UHFFFAOYSA-N -1 1 360.233 2.300 20 0 FEADMM Cc1cnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)[n-]c1=O ZINC000568649494 675389198 /nfs/dbraw/zinc/38/91/98/675389198.db2.gz SMLFAFKICZCISL-SNVBAGLBSA-N -1 1 367.452 2.226 20 0 FEADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1 ZINC000568925750 675410478 /nfs/dbraw/zinc/41/04/78/675410478.db2.gz MMQZKOUBQNUFLY-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2cn(C)nc2C(F)F)c1 ZINC000821177428 675420081 /nfs/dbraw/zinc/42/00/81/675420081.db2.gz GBVQWQITYNUQAO-XMMPIXPASA-N -1 1 358.366 2.217 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C(=O)NC(C)(C)C)C(C)C)c1 ZINC000821358091 675429840 /nfs/dbraw/zinc/42/98/40/675429840.db2.gz GLCXGEGFGIVEJG-IVCQMTBJSA-N -1 1 369.483 2.285 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cc3[nH]cnc3cc2F)c(F)c1 ZINC000821627514 675444047 /nfs/dbraw/zinc/44/40/47/675444047.db2.gz CXJRJRIAYHCYPL-UHFFFAOYSA-N -1 1 365.361 2.409 20 0 FEADMM CCOc1ccccc1[C@](N)(C(=O)[N-]C1=NC[C@H](C)S1)C(F)(F)F ZINC000822480940 675487692 /nfs/dbraw/zinc/48/76/92/675487692.db2.gz HIUPBXPKMVLKBD-XPTSAGLGSA-N -1 1 361.389 2.409 20 0 FEADMM CNc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000823023723 675523692 /nfs/dbraw/zinc/52/36/92/675523692.db2.gz KYWYSPFNJDUKAQ-SNVBAGLBSA-N -1 1 361.339 2.398 20 0 FEADMM Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000823209971 675536561 /nfs/dbraw/zinc/53/65/61/675536561.db2.gz VKFWQKFBISWSGT-UHFFFAOYSA-N -1 1 358.324 2.241 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@]12CCO[C@H]1CCCC2 ZINC000824345081 675596521 /nfs/dbraw/zinc/59/65/21/675596521.db2.gz BVZNYPRBXFKOGJ-NFFDBFGFSA-N -1 1 362.392 2.394 20 0 FEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000824367079 675598207 /nfs/dbraw/zinc/59/82/07/675598207.db2.gz IJPQBUGMAUCBMU-AWEZNQCLSA-N -1 1 361.467 2.443 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000825498549 675656262 /nfs/dbraw/zinc/65/62/62/675656262.db2.gz KWDWGIHGEWKABH-SNVBAGLBSA-N -1 1 360.361 2.202 20 0 FEADMM COCc1ccsc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826165538 675683446 /nfs/dbraw/zinc/68/34/46/675683446.db2.gz ZKHYUWCPRTWJDM-UHFFFAOYSA-N -1 1 361.431 2.278 20 0 FEADMM COCc1ccsc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826165538 675683450 /nfs/dbraw/zinc/68/34/50/675683450.db2.gz ZKHYUWCPRTWJDM-UHFFFAOYSA-N -1 1 361.431 2.278 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826345381 675686307 /nfs/dbraw/zinc/68/63/07/675686307.db2.gz KDUOJMMSDCIHBK-SSDOTTSWSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826345381 675686308 /nfs/dbraw/zinc/68/63/08/675686308.db2.gz KDUOJMMSDCIHBK-SSDOTTSWSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1onc(CC(=O)Nc2cccc(Br)c2)c1-c1nnn[n-]1 ZINC000826349194 675686848 /nfs/dbraw/zinc/68/68/48/675686848.db2.gz YTNOSYJHUKSCMR-UHFFFAOYSA-N -1 1 363.175 2.107 20 0 FEADMM Cc1onc(CC(=O)Nc2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826349194 675686850 /nfs/dbraw/zinc/68/68/50/675686850.db2.gz YTNOSYJHUKSCMR-UHFFFAOYSA-N -1 1 363.175 2.107 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1-c1nnn[n-]1 ZINC000826346334 675686872 /nfs/dbraw/zinc/68/68/72/675686872.db2.gz JWISIDKBKZGTQB-GFCCVEGCSA-N -1 1 358.789 2.163 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1-c1nn[n-]n1 ZINC000826346334 675686873 /nfs/dbraw/zinc/68/68/73/675686873.db2.gz JWISIDKBKZGTQB-GFCCVEGCSA-N -1 1 358.789 2.163 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000826937946 675717247 /nfs/dbraw/zinc/71/72/47/675717247.db2.gz PABBUBNQCFZJCA-NEPJUHHUSA-N -1 1 354.455 2.193 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CSC[C@H]3C2)o1 ZINC000827179746 675737247 /nfs/dbraw/zinc/73/72/47/675737247.db2.gz CWPVFQQYEMYCBV-VXGBXAGGSA-N -1 1 372.512 2.182 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000827374352 675751894 /nfs/dbraw/zinc/75/18/94/675751894.db2.gz GYTQMJIZPMLVRY-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000827751320 675776401 /nfs/dbraw/zinc/77/64/01/675776401.db2.gz FGWPVKLVKOPGEP-LBPRGKRZSA-N -1 1 362.455 2.069 20 0 FEADMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OC ZINC000827815209 675780959 /nfs/dbraw/zinc/78/09/59/675780959.db2.gz PVQKLTQUAJBPMW-WFASDCNBSA-N -1 1 353.440 2.317 20 0 FEADMM O=C(Nc1c([O-])cccc1F)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000605434672 675814848 /nfs/dbraw/zinc/81/48/48/675814848.db2.gz AZTWLXDVBXEODH-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM CN(C)c1nc2sc(C(=O)NC3(c4nn[n-]n4)CCCC3)cc2s1 ZINC000605530449 675817785 /nfs/dbraw/zinc/81/77/85/675817785.db2.gz LKSZISCOXMFTDJ-UHFFFAOYSA-N -1 1 363.472 2.136 20 0 FEADMM Cc1c(Cl)cccc1OCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000605880004 675825208 /nfs/dbraw/zinc/82/52/08/675825208.db2.gz MHZAFUJMTFRKPG-MRXNPFEDSA-N -1 1 357.801 2.446 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1OC ZINC000606753155 675840690 /nfs/dbraw/zinc/84/06/90/675840690.db2.gz TXJVINKVBJUZHZ-UHFFFAOYSA-N -1 1 351.359 2.291 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1C ZINC000607613358 675870789 /nfs/dbraw/zinc/87/07/89/675870789.db2.gz YVMNIHPTIBUGIH-UHFFFAOYSA-N -1 1 366.418 2.344 20 0 FEADMM COc1cc(NC(=O)c2nc(C)ncc2Cl)ccc1[N-]S(C)(=O)=O ZINC000607887756 675876373 /nfs/dbraw/zinc/87/63/73/675876373.db2.gz RNDVLTOZNYHXJZ-UHFFFAOYSA-N -1 1 370.818 2.071 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCC(=O)Nc2c([O-])cccc2F)cc1C ZINC000608365527 675889670 /nfs/dbraw/zinc/88/96/70/675889670.db2.gz MLIWZCZXVQDXDG-UHFFFAOYSA-N -1 1 366.414 2.455 20 0 FEADMM C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000615822364 676230928 /nfs/dbraw/zinc/23/09/28/676230928.db2.gz VGHHCNUUIBMFOH-SSDOTTSWSA-N -1 1 366.834 2.352 20 0 FEADMM O=C(Cc1ccc(Br)cc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000618487334 676342358 /nfs/dbraw/zinc/34/23/58/676342358.db2.gz RMGKPCRBBSGAJK-OAHLLOKOSA-N -1 1 372.226 2.411 20 0 FEADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)O1 ZINC000618574916 676344950 /nfs/dbraw/zinc/34/49/50/676344950.db2.gz HEXSDTBLCJKDFC-RYUDHWBXSA-N -1 1 358.460 2.044 20 0 FEADMM COc1cc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000620022674 676403398 /nfs/dbraw/zinc/40/33/98/676403398.db2.gz XHUJTDVZUVNFKB-SNVBAGLBSA-N -1 1 354.834 2.431 20 0 FEADMM CCS(=O)(=O)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000620051774 676404710 /nfs/dbraw/zinc/40/47/10/676404710.db2.gz LIQWLJLDCGUCEX-UHFFFAOYSA-N -1 1 351.346 2.108 20 0 FEADMM Cc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(Br)c1 ZINC000677289990 679674293 /nfs/dbraw/zinc/67/42/93/679674293.db2.gz RPEIPKPOEXFKDJ-UHFFFAOYSA-N -1 1 350.220 2.470 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000620710981 676426032 /nfs/dbraw/zinc/42/60/32/676426032.db2.gz JMZSSUMDIZTLPG-UHFFFAOYSA-N -1 1 369.349 2.464 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)c(F)c1 ZINC000677313205 679675661 /nfs/dbraw/zinc/67/56/61/679675661.db2.gz XBDVEAMPPMPDKI-CYBMUJFWSA-N -1 1 371.405 2.103 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(O)CCC(C)CC2)c(=O)[n-]1 ZINC000621094393 676439626 /nfs/dbraw/zinc/43/96/26/676439626.db2.gz CQGGWAZWONOGKG-UHFFFAOYSA-N -1 1 353.488 2.203 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3cccc(Cl)c3F)nc2n1 ZINC000622998045 676515003 /nfs/dbraw/zinc/51/50/03/676515003.db2.gz WEJQNKJYGQPKGA-UHFFFAOYSA-N -1 1 363.780 2.344 20 0 FEADMM CCOc1cc(-c2noc([C@@H]3CC[C@H](C(N)=O)O3)n2)cc(Cl)c1[O-] ZINC000624574559 676585663 /nfs/dbraw/zinc/58/56/63/676585663.db2.gz QVZWRWAYIITIRQ-ZJUUUORDSA-N -1 1 353.762 2.200 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1cccnc1OCC(F)F ZINC000625216853 676629115 /nfs/dbraw/zinc/62/91/15/676629115.db2.gz JVDBSZQOHLOXES-SNVBAGLBSA-N -1 1 360.304 2.345 20 0 FEADMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000625494516 676651770 /nfs/dbraw/zinc/65/17/70/676651770.db2.gz MBVBOFFTZXIBRG-UHFFFAOYSA-N -1 1 355.432 2.451 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 ZINC000627408392 676753856 /nfs/dbraw/zinc/75/38/56/676753856.db2.gz WHKCHMHGCQPSDZ-LSDHHAIUSA-N -1 1 360.435 2.351 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H](CO)c1cc(F)ccc1F ZINC000678036511 679711309 /nfs/dbraw/zinc/71/13/09/679711309.db2.gz HGTAHBUAOQIRJQ-OAHLLOKOSA-N -1 1 363.332 2.396 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC)c(Cl)c1)C1CC1 ZINC000629287100 676840416 /nfs/dbraw/zinc/84/04/16/676840416.db2.gz FPEDLYBFPHYJOP-AWEZNQCLSA-N -1 1 360.863 2.256 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1NC(C)=O ZINC000678138089 679717145 /nfs/dbraw/zinc/71/71/45/679717145.db2.gz DHTFSIXJKRSEHM-UHFFFAOYSA-N -1 1 362.407 2.485 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(OC)c(OC)c1 ZINC000629315462 676845408 /nfs/dbraw/zinc/84/54/08/676845408.db2.gz YZJTVTDTDPLSOP-UHFFFAOYSA-N -1 1 366.395 2.160 20 0 FEADMM CSc1ccc(OC[C@H](O)CN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000629365800 676851930 /nfs/dbraw/zinc/85/19/30/676851930.db2.gz FYPYUDMHCVEIFG-SJKOYZFVSA-N -1 1 363.435 2.425 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000629498408 676857420 /nfs/dbraw/zinc/85/74/20/676857420.db2.gz KFQITEFWPFUURU-DYEKYZERSA-N -1 1 350.415 2.073 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000630227908 676888828 /nfs/dbraw/zinc/88/88/28/676888828.db2.gz WMTAAARZMWYYHF-UHFFFAOYSA-N -1 1 350.362 2.388 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000630227645 676888864 /nfs/dbraw/zinc/88/88/64/676888864.db2.gz OHXDRQONSRZDHI-UHFFFAOYSA-N -1 1 360.332 2.206 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2F)[n-]1 ZINC000630416572 676898227 /nfs/dbraw/zinc/89/82/27/676898227.db2.gz BZJMKVICMDPCEO-UHFFFAOYSA-N -1 1 354.190 2.371 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2F)n[n-]1 ZINC000630416572 676898229 /nfs/dbraw/zinc/89/82/29/676898229.db2.gz BZJMKVICMDPCEO-UHFFFAOYSA-N -1 1 354.190 2.371 20 0 FEADMM C[C@@H](CCc1ccc(Br)cc1)NC(=O)CCc1nn[n-]n1 ZINC000630805472 676922670 /nfs/dbraw/zinc/92/26/70/676922670.db2.gz CIQNOQFJUOSDMT-JTQLQIEISA-N -1 1 352.236 2.032 20 0 FEADMM CC[C@@H](CNC(=O)CCc1nn[n-]n1)Cc1cccc(Br)c1 ZINC000631384643 676943300 /nfs/dbraw/zinc/94/33/00/676943300.db2.gz IKQZPPLHPKHITH-LLVKDONJSA-N -1 1 366.263 2.280 20 0 FEADMM CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC000631460094 676945397 /nfs/dbraw/zinc/94/53/97/676945397.db2.gz ZYTXSGJQWIKFKZ-HOTGVXAUSA-N -1 1 353.846 2.367 20 0 FEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)C[C@H](C)O1 ZINC000631691814 676952032 /nfs/dbraw/zinc/95/20/32/676952032.db2.gz BSMFKSNQGQTCAZ-PHIMTYICSA-N -1 1 366.430 2.383 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1ccc(C(F)F)o1)NC1CCCCC1 ZINC000631780393 676956990 /nfs/dbraw/zinc/95/69/90/676956990.db2.gz YZNHHHOZZIWCNY-UHFFFAOYSA-N -1 1 350.387 2.335 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000631792682 676957863 /nfs/dbraw/zinc/95/78/63/676957863.db2.gz HMNZUEYNXAJSGG-SNVBAGLBSA-N -1 1 356.213 2.119 20 0 FEADMM O=c1[nH]cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000631812187 676958685 /nfs/dbraw/zinc/95/86/85/676958685.db2.gz CBOXIEBGJCRYRX-CQSZACIVSA-N -1 1 367.496 2.182 20 0 FEADMM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2cc(C)ns2)C1 ZINC000631865179 676960865 /nfs/dbraw/zinc/96/08/65/676960865.db2.gz BSWRNTLARRPKOX-CYBMUJFWSA-N -1 1 367.496 2.265 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(C(F)F)o1 ZINC000632106904 676976021 /nfs/dbraw/zinc/97/60/21/676976021.db2.gz NLWGVQKAQRHZMI-NEPJUHHUSA-N -1 1 364.414 2.139 20 0 FEADMM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000632106637 676976034 /nfs/dbraw/zinc/97/60/34/676976034.db2.gz NZWCZJMCGXCKMY-NSHDSACASA-N -1 1 362.398 2.287 20 0 FEADMM C[C@@H]1CN(C(=O)Cc2noc(Cc3ccc([O-])c(Cl)c3)n2)C[C@H](C)O1 ZINC000632114929 676976561 /nfs/dbraw/zinc/97/65/61/676976561.db2.gz CUEGXQZNPNXINQ-PHIMTYICSA-N -1 1 365.817 2.198 20 0 FEADMM CS(=O)(=O)CC1CCC([N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000632379929 676991138 /nfs/dbraw/zinc/99/11/38/676991138.db2.gz ZRLKPKBOEQHDCC-UHFFFAOYSA-N -1 1 371.427 2.099 20 0 FEADMM CO[C@@](C)(C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000632409640 676992539 /nfs/dbraw/zinc/99/25/39/676992539.db2.gz DKNGMNYBGXWDPJ-ZDUSSCGKSA-N -1 1 363.361 2.269 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000632458000 676995622 /nfs/dbraw/zinc/99/56/22/676995622.db2.gz UIEYNYKBKDVVQN-INIZCTEOSA-N -1 1 355.456 2.227 20 0 FEADMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)no1 ZINC000632480495 676996991 /nfs/dbraw/zinc/99/69/91/676996991.db2.gz VBSFAHFPORIWMU-HRDYMLBCSA-N -1 1 357.354 2.026 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)[C@@]1(O)CCCOC1 ZINC000632569609 677002598 /nfs/dbraw/zinc/00/25/98/677002598.db2.gz MYTFBOXXYWDVME-CQSZACIVSA-N -1 1 353.387 2.063 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)c(C(F)(F)F)n1 ZINC000632705755 677011287 /nfs/dbraw/zinc/01/12/87/677011287.db2.gz WGHNOTIXNGEUJE-CMPLNLGQSA-N -1 1 367.393 2.065 20 0 FEADMM CCC1(O)CCC(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000678520818 679733059 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COc1cc(F)c([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)cc1F ZINC000634789988 677082433 /nfs/dbraw/zinc/08/24/33/677082433.db2.gz NCCSWBXUDDLZOF-UHFFFAOYSA-N -1 1 357.382 2.387 20 0 FEADMM C[C@@H](Cc1cccc(Br)c1)NC(=O)CCCc1nn[n-]n1 ZINC000635424827 677098515 /nfs/dbraw/zinc/09/85/15/677098515.db2.gz NCXINLXLZHLHPY-JTQLQIEISA-N -1 1 352.236 2.032 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000635844523 677108190 /nfs/dbraw/zinc/10/81/90/677108190.db2.gz RWVRQBMEQZDAHB-LLVKDONJSA-N -1 1 369.256 2.224 20 0 FEADMM O=C(CCCc1nn[n-]n1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000635945571 677110755 /nfs/dbraw/zinc/11/07/55/677110755.db2.gz HSXQNJDOLKIAFJ-UHFFFAOYSA-N -1 1 350.373 2.430 20 0 FEADMM O=C(N=c1cc2n([nH]1)CCCC2)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297194 677177832 /nfs/dbraw/zinc/17/78/32/677177832.db2.gz ASGOBTZVIDLLIM-UHFFFAOYSA-N -1 1 362.743 2.119 20 0 FEADMM CSc1nc(CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)cc(=O)[n-]1 ZINC000640655037 677185343 /nfs/dbraw/zinc/18/53/43/677185343.db2.gz 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CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cn1C ZINC000760599403 680694103 /nfs/dbraw/zinc/69/41/03/680694103.db2.gz BMBNDERCNUPRFC-UHFFFAOYSA-N -1 1 351.428 2.069 20 0 FEADMM CSc1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000650548459 677380675 /nfs/dbraw/zinc/38/06/75/677380675.db2.gz PWUUHZKVXKDRAI-UHFFFAOYSA-N -1 1 370.456 2.121 20 0 FEADMM C[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)n1ccnc1 ZINC000651746659 677448937 /nfs/dbraw/zinc/44/89/37/677448937.db2.gz YBHBFXWUCPQXHZ-LKFCYVNXSA-N -1 1 363.784 2.046 20 0 FEADMM O=S(=O)([N-]C[C@]1(CO)CCc2ccccc21)c1cccc(F)c1F ZINC000651787881 677451811 /nfs/dbraw/zinc/45/18/11/677451811.db2.gz LBVPJXIJCKRJJZ-KRWDZBQOSA-N -1 1 353.390 2.120 20 0 FEADMM CCN1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000651856595 677457203 /nfs/dbraw/zinc/45/72/03/677457203.db2.gz IRQKMNHPMMIJHY-QMMMGPOBSA-N -1 1 369.245 2.279 20 0 FEADMM CCN1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000651857946 677457505 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C[C@@H](CNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C(=O)[O-] ZINC000655861813 677668122 /nfs/dbraw/zinc/66/81/22/677668122.db2.gz SOSMTTHCGYWXRU-WFASDCNBSA-N -1 1 353.850 2.497 20 0 FEADMM CC(F)(F)C(C)(C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000656186739 677726879 /nfs/dbraw/zinc/72/68/79/677726879.db2.gz QNTNNOPASQDGQF-UHFFFAOYSA-N -1 1 350.362 2.423 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1)C1CCCC1 ZINC000656618626 677784866 /nfs/dbraw/zinc/78/48/66/677784866.db2.gz XRAQXQFJXCJVRW-HZPDHXFCSA-N -1 1 357.476 2.009 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1Cl)[C@H]1CCOC1 ZINC000656623183 677788977 /nfs/dbraw/zinc/78/89/77/677788977.db2.gz BYMNLOPIPFIRDS-ISVAXAHUSA-N -1 1 355.790 2.411 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ncccc1Br ZINC000656943795 677879933 /nfs/dbraw/zinc/87/99/33/677879933.db2.gz QENGWNHFNHQMPA-MVWJERBFSA-N -1 1 373.272 2.080 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)sc1C ZINC000657179768 677974250 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COc1cnc([C@@H]2CCCN2S(=O)(=O)CC23CCC(CC2)C3)[n-]c1=O ZINC000908015255 691598194 /nfs/dbraw/zinc/59/81/94/691598194.db2.gz ATNLOZZHKDZYGC-JZLYGMAVSA-N -1 1 367.471 2.238 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)[n-]c1=O ZINC000908013108 691598492 /nfs/dbraw/zinc/59/84/92/691598492.db2.gz QUNDLOKWQDNVAM-GFCCVEGCSA-N -1 1 369.830 2.370 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2C)[n-]c1=O ZINC000908016944 691598819 /nfs/dbraw/zinc/59/88/19/691598819.db2.gz ORUMJFASJRXOPD-CQSZACIVSA-N -1 1 363.439 2.166 20 0 FEADMM CCC(C)(C)CCS(=O)(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908018424 691599631 /nfs/dbraw/zinc/59/96/31/691599631.db2.gz IHBGAPJRXVDZPP-GFCCVEGCSA-N -1 1 357.476 2.484 20 0 FEADMM COC(=O)C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000908469728 691685211 /nfs/dbraw/zinc/68/52/11/691685211.db2.gz ILJVUVOWXNLWJY-BDAKNGLRSA-N -1 1 351.346 2.114 20 0 FEADMM O=C(CS(=O)(=O)C1CCCC1)Nc1cccc([O-])c1Br ZINC000908715988 691717469 /nfs/dbraw/zinc/71/74/69/691717469.db2.gz XNJAGODGQCNCMG-UHFFFAOYSA-N -1 1 362.245 2.451 20 0 FEADMM CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908717292 691717576 /nfs/dbraw/zinc/71/75/76/691717576.db2.gz XMYJLMRZMIADJL-SECBINFHSA-N -1 1 359.245 2.405 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2F)C2CC2)C1 ZINC000908717623 691717965 /nfs/dbraw/zinc/71/79/65/691717965.db2.gz LXDHFRURVARBHG-CYBMUJFWSA-N -1 1 352.381 2.252 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000908820962 691735494 /nfs/dbraw/zinc/73/54/94/691735494.db2.gz WTNIHEOOABFADZ-OAHLLOKOSA-N -1 1 351.422 2.467 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N[C@@](C)(CCF)C(=O)[O-])N2CCCC2)o1 ZINC000908926390 691753995 /nfs/dbraw/zinc/75/39/95/691753995.db2.gz OZQTWVRJOPHAFX-GUYCJALGSA-N -1 1 355.410 2.227 20 0 FEADMM O=C([O-])[C@H](CF)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000908949468 691757488 /nfs/dbraw/zinc/75/74/88/691757488.db2.gz ORPZVWHSECGHAP-HNNXBMFYSA-N -1 1 371.840 2.274 20 0 FEADMM CC[C@H](C(=O)[O-])N(C(=O)NCc1ccc(F)c(CN(C)C)c1)C1CC1 ZINC000908987458 691762745 /nfs/dbraw/zinc/76/27/45/691762745.db2.gz RLIFFVSJRTYCAT-MRXNPFEDSA-N -1 1 351.422 2.425 20 0 FEADMM C[C@H](CN1CCOCC1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909229920 691797363 /nfs/dbraw/zinc/79/73/63/691797363.db2.gz NLFDNDODDOYEIG-CQSZACIVSA-N -1 1 366.483 2.301 20 0 FEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000909390936 691816936 /nfs/dbraw/zinc/81/69/36/691816936.db2.gz LNKCJOSMJXYUNI-QMTHXVAHSA-N -1 1 360.838 2.158 20 0 FEADMM CCOC(=O)Cc1cnc(N(C)C(=O)c2c([O-])cccc2OC)s1 ZINC000909438687 691822573 /nfs/dbraw/zinc/82/25/73/691822573.db2.gz ICDAJLQMLMGKAK-UHFFFAOYSA-N -1 1 350.396 2.240 20 0 FEADMM CCOc1cc(Cl)ccc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909553711 691833459 /nfs/dbraw/zinc/83/34/59/691833459.db2.gz XOEZMCNOFSZLHJ-ZDUSSCGKSA-N -1 1 354.834 2.152 20 0 FEADMM O=C([O-])[C@@H](CC(F)F)NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000909773393 691854210 /nfs/dbraw/zinc/85/42/10/691854210.db2.gz IOXYANHCZIUFTR-MRVPVSSYSA-N -1 1 362.130 2.164 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(SC3CC3)cc2)CC1 ZINC000910178440 691896889 /nfs/dbraw/zinc/89/68/89/691896889.db2.gz CQOQXMJTMKBYMM-AWEZNQCLSA-N -1 1 362.495 2.491 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000908761379 939316468 /nfs/dbraw/zinc/31/64/68/939316468.db2.gz ROIVPVNITRQSSY-IRXDYDNUSA-N -1 1 369.506 2.066 20 0 FEADMM CN(CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000908919343 939351814 /nfs/dbraw/zinc/35/18/14/939351814.db2.gz CQODNTQGIBZKMU-GOSISDBHSA-N -1 1 362.376 2.381 20 0 FEADMM C[C@@H]1CCN(C(=O)[C@](C)(N)c2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000566749160 675239734 /nfs/dbraw/zinc/23/97/34/675239734.db2.gz QFRNXLARJKGNMT-AKWBHNSASA-N -1 1 369.259 2.192 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1NC(C)=O ZINC000007050469 539445466 /nfs/dbraw/zinc/44/54/66/539445466.db2.gz MVNYIKXRNROSEN-UHFFFAOYSA-N -1 1 360.395 2.331 20 0 FEADMM Nc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000010172964 539513383 /nfs/dbraw/zinc/51/33/83/539513383.db2.gz WBALIADMQSDLAQ-UHFFFAOYSA-N -1 1 361.423 2.011 20 0 FEADMM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000016101604 539627892 /nfs/dbraw/zinc/62/78/92/539627892.db2.gz FCKVNLMYLUJGOM-UHFFFAOYSA-N -1 1 367.354 2.200 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000549922699 674072183 /nfs/dbraw/zinc/07/21/83/674072183.db2.gz DKYKGRKYCBGUQL-NSHDSACASA-N -1 1 370.215 2.431 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000029323659 539850721 /nfs/dbraw/zinc/85/07/21/539850721.db2.gz RFMCREVLWLPSDQ-UHFFFAOYSA-N -1 1 363.395 2.010 20 0 FEADMM COc1cc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc(OC)c1OC ZINC000029388728 539852143 /nfs/dbraw/zinc/85/21/43/539852143.db2.gz VBVNJDJXWYQOHH-UHFFFAOYSA-N -1 1 360.292 2.031 20 0 FEADMM COc1ccc(NC(=O)Cc2cccc(F)c2)cc1[N-]S(C)(=O)=O ZINC000029817229 539865347 /nfs/dbraw/zinc/86/53/47/539865347.db2.gz FXDDYWOMBLNDIR-UHFFFAOYSA-N -1 1 352.387 2.387 20 0 FEADMM COc1ccc(NC(=O)NCCc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000031038283 539897095 /nfs/dbraw/zinc/89/70/95/539897095.db2.gz QBYYXIXMCMHKEX-UHFFFAOYSA-N -1 1 363.439 2.431 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1F ZINC000032595862 539944549 /nfs/dbraw/zinc/94/45/49/539944549.db2.gz HHXIIPOAMQQCSO-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCO[C@@H](C)c2ccccc2)o1 ZINC000032766436 539951797 /nfs/dbraw/zinc/95/17/97/539951797.db2.gz USGWZMJFPHOFKX-ZDUSSCGKSA-N -1 1 366.439 2.085 20 0 FEADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)c2)n1 ZINC000043768195 540108720 /nfs/dbraw/zinc/10/87/20/540108720.db2.gz GWRDBVIMAVNBAD-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000044253193 540120949 /nfs/dbraw/zinc/12/09/49/540120949.db2.gz IPKHOFJQXKRHGF-UHFFFAOYSA-N -1 1 355.437 2.290 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1cccc(C(F)(F)F)c1 ZINC000044895081 540143933 /nfs/dbraw/zinc/14/39/33/540143933.db2.gz FMNXTDRTVKLIDF-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM O=C(Cn1cnc([N-]C(=O)c2sccc2F)n1)N1CCCCCC1 ZINC000550483343 674098189 /nfs/dbraw/zinc/09/81/89/674098189.db2.gz HDXHPXLBPGRCHI-UHFFFAOYSA-N -1 1 351.407 2.134 20 0 FEADMM N=c1nc(N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)s[n-]1 ZINC000533534139 540259959 /nfs/dbraw/zinc/25/99/59/540259959.db2.gz YKWNRWNDMZQJAS-UHFFFAOYSA-N -1 1 361.515 2.028 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)o1 ZINC000048119381 540346201 /nfs/dbraw/zinc/34/62/01/540346201.db2.gz OOMVQUFTORLIHG-UHFFFAOYSA-N -1 1 371.418 2.426 20 0 FEADMM O=C(Nc1c[nH]cc(Br)c1=O)c1csc(=NC2CC2)[n-]1 ZINC000535563087 540484405 /nfs/dbraw/zinc/48/44/05/540484405.db2.gz KHQAUZHUHJBDFQ-UHFFFAOYSA-N -1 1 355.217 2.421 20 0 FEADMM O=C(CCNC(=O)c1cc(Br)ccc1[O-])Nc1ccccn1 ZINC000052967881 540503463 /nfs/dbraw/zinc/50/34/63/540503463.db2.gz JUXYKFZGJHUHJM-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM COc1ccc(NC(=O)CCc2nccs2)cc1[N-]S(C)(=O)=O ZINC000055193551 540634603 /nfs/dbraw/zinc/63/46/03/540634603.db2.gz RJVHSPWYRUMHCS-UHFFFAOYSA-N -1 1 355.441 2.095 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 ZINC000055283790 540643506 /nfs/dbraw/zinc/64/35/06/540643506.db2.gz RPQMNCWEFTYQAA-UHFFFAOYSA-N -1 1 355.394 2.234 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1 ZINC000055546213 540658210 /nfs/dbraw/zinc/65/82/10/540658210.db2.gz NGZZGPQNGQCMIR-UHFFFAOYSA-N -1 1 363.391 2.242 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1O ZINC000055587993 540661576 /nfs/dbraw/zinc/66/15/76/540661576.db2.gz OPJGXLXEWOJSOC-UHFFFAOYSA-N -1 1 373.390 2.165 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000055628314 540664979 /nfs/dbraw/zinc/66/49/79/540664979.db2.gz SCNRNCKFGBYCPR-UHFFFAOYSA-N -1 1 361.423 2.196 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)C2Cc3ccccc3C2)c(=O)[n-]1 ZINC000056300019 540716989 /nfs/dbraw/zinc/71/69/89/540716989.db2.gz MVIBMPCKMRBJAZ-UHFFFAOYSA-N -1 1 357.479 2.359 20 0 FEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000057432461 540795971 /nfs/dbraw/zinc/79/59/71/540795971.db2.gz PZULLBJUDUXMRO-UHFFFAOYSA-N -1 1 360.313 2.485 20 0 FEADMM O=C(CNC(=O)c1cc(Br)ccc1[O-])NC1CCCCC1 ZINC000058710867 540853731 /nfs/dbraw/zinc/85/37/31/540853731.db2.gz RFLXFUWZKJCWNY-UHFFFAOYSA-N -1 1 355.232 2.333 20 0 FEADMM O=C(NCCN=c1ccc(C(=O)NC2CCCC2)n[n-]1)c1cccs1 ZINC000539106945 540923094 /nfs/dbraw/zinc/92/30/94/540923094.db2.gz JBNGLMGUIWFZKP-UHFFFAOYSA-N -1 1 359.455 2.052 20 0 FEADMM COc1cc(Br)c(CNC(=O)c2ncccc2[O-])cc1OC ZINC000066120567 541283597 /nfs/dbraw/zinc/28/35/97/541283597.db2.gz HTDVEMJRZBHDHW-UHFFFAOYSA-N -1 1 367.199 2.497 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)cn1 ZINC000066581948 541340821 /nfs/dbraw/zinc/34/08/21/541340821.db2.gz UYVSWXQINJOOGN-UHFFFAOYSA-N -1 1 370.862 2.495 20 0 FEADMM CCn1c(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)n[n-]c1=S ZINC000066637033 541351387 /nfs/dbraw/zinc/35/13/87/541351387.db2.gz RVDOJDGTIISTJZ-SNVBAGLBSA-N -1 1 352.847 2.481 20 0 FEADMM CC(C)n1c(CNC(=O)CNC(=O)CC2CCCCC2)n[n-]c1=S ZINC000066639051 541352445 /nfs/dbraw/zinc/35/24/45/541352445.db2.gz AZMQBZHOGBHFMA-UHFFFAOYSA-N -1 1 353.492 2.224 20 0 FEADMM CC(C)n1c(CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n[n-]c1=S ZINC000066639907 541352654 /nfs/dbraw/zinc/35/26/54/541352654.db2.gz OBJVKONIDLEHBF-UHFFFAOYSA-N -1 1 374.470 2.330 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000542201430 541356757 /nfs/dbraw/zinc/35/67/57/541356757.db2.gz PRQRHLKMGRWUSC-UHFFFAOYSA-N -1 1 374.372 2.115 20 0 FEADMM CCOC(=O)c1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)nc1C ZINC000066640848 541353239 /nfs/dbraw/zinc/35/32/39/541353239.db2.gz SOARBFQVOCBCBX-UHFFFAOYSA-N -1 1 363.443 2.332 20 0 FEADMM CSC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000066928630 541396010 /nfs/dbraw/zinc/39/60/10/541396010.db2.gz QXSLFTAPHIWJBU-NSHDSACASA-N -1 1 358.485 2.114 20 0 FEADMM CC(=O)c1cccc(OCC(=O)NCCc2n[n-]c(=S)n2C(C)C)c1 ZINC000067072884 541413656 /nfs/dbraw/zinc/41/36/56/541413656.db2.gz DTDRAZQXMGKWLY-UHFFFAOYSA-N -1 1 362.455 2.462 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc2c(c1)OCCCO2 ZINC000067079308 541414861 /nfs/dbraw/zinc/41/48/61/541414861.db2.gz YSJWCNFHJYQNRI-UHFFFAOYSA-N -1 1 360.439 2.409 20 0 FEADMM O[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)COc1ccc(F)c(F)c1 ZINC000550787591 674110281 /nfs/dbraw/zinc/11/02/81/674110281.db2.gz UJIJSKFOMHUPGL-LURJTMIESA-N -1 1 355.288 2.109 20 0 FEADMM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000067430475 541463772 /nfs/dbraw/zinc/46/37/72/541463772.db2.gz NTUYQZCGOSCGFZ-LURJTMIESA-N -1 1 351.268 2.350 20 0 FEADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068076474 541545010 /nfs/dbraw/zinc/54/50/10/541545010.db2.gz SUZZWOXIPDSCJH-UHFFFAOYSA-N -1 1 367.448 2.062 20 0 FEADMM CCc1nc(CC(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)cs1 ZINC000068427392 541590581 /nfs/dbraw/zinc/59/05/81/541590581.db2.gz HYWBQPXWALRCQM-UHFFFAOYSA-N -1 1 351.501 2.445 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068428410 541590794 /nfs/dbraw/zinc/59/07/94/541590794.db2.gz BWCVBEAXLJZXFR-JTQLQIEISA-N -1 1 369.491 2.097 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ncnn1CC(C)C ZINC000801246234 674113308 /nfs/dbraw/zinc/11/33/08/674113308.db2.gz PGVQHMCTQCJNGE-UHFFFAOYSA-N -1 1 366.443 2.053 20 0 FEADMM Cc1cc(=NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)[nH]n1[C@H](C)C1CC1 ZINC000544266161 541743501 /nfs/dbraw/zinc/74/35/01/541743501.db2.gz WNJBQZHBYBABSD-SNVBAGLBSA-N -1 1 368.397 2.473 20 0 FEADMM CC(C)c1cc(C(=O)[N-]c2ncn(CC(=O)N3CCCCCC3)n2)on1 ZINC000070818267 541745264 /nfs/dbraw/zinc/74/52/64/541745264.db2.gz FVOIQRAYIGSMMR-UHFFFAOYSA-N -1 1 360.418 2.044 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(N(C)C)cc1 ZINC000070852936 541746810 /nfs/dbraw/zinc/74/68/10/541746810.db2.gz KQTDWNMPRUZYTJ-UHFFFAOYSA-N -1 1 363.421 2.388 20 0 FEADMM CCOC[C@@H]1CCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000070926166 541752300 /nfs/dbraw/zinc/75/23/00/541752300.db2.gz IMMXVMVFRAWEFB-CYBMUJFWSA-N -1 1 353.488 2.008 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1 ZINC000071092481 541763506 /nfs/dbraw/zinc/76/35/06/541763506.db2.gz SRKNVEVHIYKUHV-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000007708273 204303200 /nfs/dbraw/zinc/30/32/00/204303200.db2.gz OUIWPEFMUDQVSA-UHFFFAOYSA-N -1 1 368.480 2.432 20 0 FEADMM O=C(OCC[C@H]1CCOC1=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374744 674124698 /nfs/dbraw/zinc/12/46/98/674124698.db2.gz BETIRNNKTZKDMI-SNVBAGLBSA-N -1 1 350.758 2.341 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1 ZINC000055549726 205220579 /nfs/dbraw/zinc/22/05/79/205220579.db2.gz YOMGXTSXKNZBAD-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM C[C@H](COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])CS(C)(=O)=O ZINC000801373082 674124819 /nfs/dbraw/zinc/12/48/19/674124819.db2.gz AXVPJVZKFUKMOO-SNVBAGLBSA-N -1 1 372.830 2.069 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)cc1 ZINC000108928906 206041718 /nfs/dbraw/zinc/04/17/18/206041718.db2.gz ULGATIPTMGCSRT-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2nnc(C3CC3)s2)c(=O)[n-]1 ZINC000073270657 541937960 /nfs/dbraw/zinc/93/79/60/541937960.db2.gz INXXCRBGGXEIBT-UHFFFAOYSA-N -1 1 351.457 2.100 20 0 FEADMM Cn1cc(-n2cc(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)ccc2=O)cn1 ZINC000545496117 541987854 /nfs/dbraw/zinc/98/78/54/541987854.db2.gz VVTRQGWOGMDFLQ-UHFFFAOYSA-N -1 1 366.406 2.275 20 0 FEADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000074685427 542113161 /nfs/dbraw/zinc/11/31/61/542113161.db2.gz NFURWGHRLBCMNF-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3csc(-c4ncccc4F)n3)ccnc1-2 ZINC000801704304 674144580 /nfs/dbraw/zinc/14/45/80/674144580.db2.gz IDCUEOFEXBOCPW-UHFFFAOYSA-N -1 1 354.370 2.252 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000080947457 542617849 /nfs/dbraw/zinc/61/78/49/542617849.db2.gz CERHORUVXHHAPQ-TXEJJXNPSA-N -1 1 358.467 2.035 20 0 FEADMM O=C(Cn1ccnc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000081256319 542642274 /nfs/dbraw/zinc/64/22/74/542642274.db2.gz ZPMAESJKBNVKRI-UHFFFAOYSA-N -1 1 356.407 2.323 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)ccc2n1C ZINC000083577616 542699140 /nfs/dbraw/zinc/69/91/40/542699140.db2.gz PVGUMKRVJJCNMN-UHFFFAOYSA-N -1 1 358.423 2.090 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cccc(N(C)C)c1 ZINC000101515974 543027702 /nfs/dbraw/zinc/02/77/02/543027702.db2.gz BMQRCANBSMYECM-UHFFFAOYSA-N -1 1 367.453 2.367 20 0 FEADMM Cc1ccc(N2CC[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)C2=O)cc1 ZINC000102889551 543084696 /nfs/dbraw/zinc/08/46/96/543084696.db2.gz VWLHTQCCRNXZPY-JTQLQIEISA-N -1 1 353.304 2.124 20 0 FEADMM C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000103943094 543118635 /nfs/dbraw/zinc/11/86/35/543118635.db2.gz OLUUVIATNFCEQW-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000103943089 543118757 /nfs/dbraw/zinc/11/87/57/543118757.db2.gz GFKXTXCQHGGSMI-CYBMUJFWSA-N -1 1 374.462 2.087 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCCCOc1ccc(OC)cc1 ZINC000104321845 543128353 /nfs/dbraw/zinc/12/83/53/543128353.db2.gz QSVUEQOTUXUKSB-UHFFFAOYSA-N -1 1 364.471 2.487 20 0 FEADMM CN1C(=S)N=NC1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000106449751 543230975 /nfs/dbraw/zinc/23/09/75/543230975.db2.gz STHXBKIEYPSXPJ-UHFFFAOYSA-N -1 1 352.847 2.483 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2F)o1 ZINC000107700320 543276126 /nfs/dbraw/zinc/27/61/26/543276126.db2.gz FFSMZOKDJNRCDQ-UHFFFAOYSA-N -1 1 355.387 2.461 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592750 543296238 /nfs/dbraw/zinc/29/62/38/543296238.db2.gz GBNREURKQXBUAG-LBPRGKRZSA-N -1 1 370.519 2.395 20 0 FEADMM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccnc2)CC1 ZINC000109423244 543324609 /nfs/dbraw/zinc/32/46/09/543324609.db2.gz HMQLYSCISJVHSP-UHFFFAOYSA-N -1 1 366.874 2.288 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cc(C)sn2)n[n-]1 ZINC000551922105 674173337 /nfs/dbraw/zinc/17/33/37/674173337.db2.gz HBUSNKAIEZXFOQ-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cc(C)sn2)[n-]1 ZINC000551922105 674173341 /nfs/dbraw/zinc/17/33/41/674173341.db2.gz HBUSNKAIEZXFOQ-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cc(C)sn2)n1 ZINC000551922105 674173343 /nfs/dbraw/zinc/17/33/43/674173343.db2.gz HBUSNKAIEZXFOQ-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000111595957 543408270 /nfs/dbraw/zinc/40/82/70/543408270.db2.gz ARLFPBMCNXFGSO-UHFFFAOYSA-N -1 1 351.366 2.252 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3N(C)C)cc21 ZINC000115927596 543594319 /nfs/dbraw/zinc/59/43/19/543594319.db2.gz AEHHLYRRQRVENP-UHFFFAOYSA-N -1 1 359.451 2.462 20 0 FEADMM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000116409718 543607732 /nfs/dbraw/zinc/60/77/32/543607732.db2.gz XZOKWOYBGKBGAW-AWEZNQCLSA-N -1 1 366.396 2.461 20 0 FEADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123044166 543739286 /nfs/dbraw/zinc/73/92/86/543739286.db2.gz RQZOTKVCECQNMZ-CHWSQXEVSA-N -1 1 356.451 2.429 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000124116811 543801170 /nfs/dbraw/zinc/80/11/70/543801170.db2.gz FJCUXBPZAGLZKE-SNVBAGLBSA-N -1 1 360.418 2.262 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(Cc2cccc(F)c2)n1)c1nn[n-]n1 ZINC000124175760 543805108 /nfs/dbraw/zinc/80/51/08/543805108.db2.gz HERYJIPIKRSDSI-JTQLQIEISA-N -1 1 360.418 2.262 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1cc(Cl)ccc1Br)c1nn[n-]n1 ZINC000124607834 543832623 /nfs/dbraw/zinc/83/26/23/543832623.db2.gz KMCWUCCCRIDAQU-MRVPVSSYSA-N -1 1 372.654 2.420 20 0 FEADMM O=c1cc(CN2CCN(Cc3cccnc3)CC2)c2ccc([O-])cc2o1 ZINC000125220414 543868301 /nfs/dbraw/zinc/86/83/01/543868301.db2.gz LTOQOXHMVGNMGU-UHFFFAOYSA-N -1 1 351.406 2.211 20 0 FEADMM Cc1cc(C)c(NC(=O)[C@H](C)S(=O)(=O)c2n[n-]c(C3CC3)n2)c(C)c1 ZINC000127129810 543974456 /nfs/dbraw/zinc/97/44/56/543974456.db2.gz CGMYTYMOCVJAOC-LBPRGKRZSA-N -1 1 362.455 2.408 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H](C)O)c2)cc1 ZINC000126725144 543953325 /nfs/dbraw/zinc/95/33/25/543953325.db2.gz FZLHDJIXCBBNCH-CQSZACIVSA-N -1 1 362.451 2.249 20 0 FEADMM C[C@@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000126816105 543958088 /nfs/dbraw/zinc/95/80/88/543958088.db2.gz XAXOBRUEANYYMK-LBPRGKRZSA-N -1 1 366.414 2.079 20 0 FEADMM Cc1cc(C)cc(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000131518836 544193608 /nfs/dbraw/zinc/19/36/08/544193608.db2.gz XRMSYQSPFRWCQJ-UHFFFAOYSA-N -1 1 352.438 2.158 20 0 FEADMM O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000133407722 544268634 /nfs/dbraw/zinc/26/86/34/544268634.db2.gz AEQJWMUSZGDPHA-ZDUSSCGKSA-N -1 1 350.212 2.488 20 0 FEADMM CCC(=O)N1CCCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000137282499 544388313 /nfs/dbraw/zinc/38/83/13/544388313.db2.gz SGPLRHNKSRVMFS-UHFFFAOYSA-N -1 1 355.232 2.239 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(Nc2ccc(C)nn2)c1)c1nn[n-]n1 ZINC000136631732 544375326 /nfs/dbraw/zinc/37/53/26/544375326.db2.gz HXQUMIVKKMMKOF-CQSZACIVSA-N -1 1 352.402 2.313 20 0 FEADMM CCC[C@H](NC(=O)CSCc1cn2cc(C)ccc2n1)c1nn[n-]n1 ZINC000136667425 544376554 /nfs/dbraw/zinc/37/65/54/544376554.db2.gz JJOOAPTYRJLBMU-ZDUSSCGKSA-N -1 1 359.459 2.047 20 0 FEADMM CCC[C@H](NC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)c1nn[n-]n1 ZINC000136702218 544377534 /nfs/dbraw/zinc/37/75/34/544377534.db2.gz STZXQKZJEASQHI-RISCZKNCSA-N -1 1 356.434 2.495 20 0 FEADMM CCC[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2F)c1C)c1nn[n-]n1 ZINC000136714804 544377709 /nfs/dbraw/zinc/37/77/09/544377709.db2.gz HSTSNDQMMJHRQC-CYBMUJFWSA-N -1 1 361.356 2.243 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc[nH]n3)c2)cc1 ZINC000143329842 544421586 /nfs/dbraw/zinc/42/15/86/544421586.db2.gz RGYGGEFWGCMFOA-UHFFFAOYSA-N -1 1 372.406 2.471 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c(Cl)c1 ZINC000151904765 544593693 /nfs/dbraw/zinc/59/36/93/544593693.db2.gz WKUDRRGEKVSBTC-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM CCc1n[nH]c(=O)c(C[N-]S(=O)(=O)c2cc3ccccc3o2)c1CC ZINC000152176596 544622331 /nfs/dbraw/zinc/62/23/31/544622331.db2.gz HSCSDHZIUROWIY-UHFFFAOYSA-N -1 1 361.423 2.119 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)co1 ZINC000153012503 544722595 /nfs/dbraw/zinc/72/25/95/544722595.db2.gz JCNSXVQYROBAID-SKDRFNHKSA-N -1 1 372.805 2.266 20 0 FEADMM COc1cc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)cc(Cl)c1[O-] ZINC000153649715 544803196 /nfs/dbraw/zinc/80/31/96/544803196.db2.gz IRHHMLUOCVSJID-LLVKDONJSA-N -1 1 362.813 2.489 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2c[nH]c3cccc(C)c23)c1 ZINC000153829787 544829834 /nfs/dbraw/zinc/82/98/34/544829834.db2.gz AVDSUFLGEGYSDH-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@H]1CO ZINC000153886767 544835308 /nfs/dbraw/zinc/83/53/08/544835308.db2.gz OVEXPZIJZOEARM-MRXNPFEDSA-N -1 1 360.435 2.084 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cc(Br)ccc1F)c1nn[n-]n1 ZINC000153927384 544840946 /nfs/dbraw/zinc/84/09/46/544840946.db2.gz MGCUEKHVSRACSQ-LLVKDONJSA-N -1 1 356.199 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3cccnc3)cc2)co1 ZINC000154319074 544890401 /nfs/dbraw/zinc/89/04/01/544890401.db2.gz RHLVVNBLJAVGSI-UHFFFAOYSA-N -1 1 371.418 2.180 20 0 FEADMM CCCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000155278541 545007261 /nfs/dbraw/zinc/00/72/61/545007261.db2.gz XNMZLLOQVJQROB-UONOGXRCSA-N -1 1 372.487 2.244 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2CC(F)(F)C2)o1 ZINC000552572340 674215290 /nfs/dbraw/zinc/21/52/90/674215290.db2.gz FSZVJTIMIWBWLX-UHFFFAOYSA-N -1 1 350.387 2.132 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)COCc2nnc(C)s2)c1 ZINC000803723826 674256361 /nfs/dbraw/zinc/25/63/61/674256361.db2.gz DITIVFAZONXEJE-UHFFFAOYSA-N -1 1 350.396 2.057 20 0 FEADMM CN(C)[C@@]1(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCSC1 ZINC000553421749 674260709 /nfs/dbraw/zinc/26/07/09/674260709.db2.gz AXJJHPHXACFRET-CYBMUJFWSA-N -1 1 370.874 2.334 20 0 FEADMM CC(C)c1nnc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)n1C ZINC000553524839 674267827 /nfs/dbraw/zinc/26/78/27/674267827.db2.gz ZBKNTZVWKQPXQT-UHFFFAOYSA-N -1 1 364.805 2.349 20 0 FEADMM CC[C@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(OC)cc1 ZINC000180787229 327701981 /nfs/dbraw/zinc/70/19/81/327701981.db2.gz GOEQMKJOKFHFKX-INIZCTEOSA-N -1 1 368.437 2.458 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C(N)=O)cn2)c1 ZINC000182917061 327793610 /nfs/dbraw/zinc/79/36/10/327793610.db2.gz OZZHFADTLRHAGC-UHFFFAOYSA-N -1 1 350.172 2.209 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)CS(C)(=O)=O)c1 ZINC000182921187 327793775 /nfs/dbraw/zinc/79/37/75/327793775.db2.gz RUECHRXMWKLLOA-QMMMGPOBSA-N -1 1 350.234 2.082 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)N1CCC(C)CC1 ZINC000184965383 327892293 /nfs/dbraw/zinc/89/22/93/327892293.db2.gz LIDONMJJOCZBOW-GFCCVEGCSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000184966358 327892302 /nfs/dbraw/zinc/89/23/02/327892302.db2.gz QLNBNCWNLVBJST-CYBMUJFWSA-N -1 1 354.472 2.092 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCSC[C@H]1c1nccs1 ZINC000186055202 327945023 /nfs/dbraw/zinc/94/50/23/327945023.db2.gz SZJFOPHEZKSWMV-LBPRGKRZSA-N -1 1 358.448 2.310 20 0 FEADMM CCOc1cc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000186863286 327987092 /nfs/dbraw/zinc/98/70/92/327987092.db2.gz AXKWWLKQRCZUOM-QWHCGFSZSA-N -1 1 352.818 2.328 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000187676097 328038963 /nfs/dbraw/zinc/03/89/63/328038963.db2.gz DZBVMMREJOONCN-QGZVFWFLSA-N -1 1 372.469 2.402 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C ZINC000187942012 328055586 /nfs/dbraw/zinc/05/55/86/328055586.db2.gz ZQTMSYFNGUCFSA-GXSJLCMTSA-N -1 1 356.216 2.426 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccc(CCNC(C)=O)cc2)n1 ZINC000188122116 328067435 /nfs/dbraw/zinc/06/74/35/328067435.db2.gz BNZINDSBKHNOBB-LBPRGKRZSA-N -1 1 373.478 2.374 20 0 FEADMM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000188238997 328075104 /nfs/dbraw/zinc/07/51/04/328075104.db2.gz IMGFTHYBLLULHP-UHFFFAOYSA-N -1 1 374.871 2.391 20 0 FEADMM CN(CC1(CO)CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000189102113 328128549 /nfs/dbraw/zinc/12/85/49/328128549.db2.gz UILDYTONQFUDEM-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(N(C)C)c1 ZINC000189389861 328145015 /nfs/dbraw/zinc/14/50/15/328145015.db2.gz LRYYDVWEHXGFNC-UHFFFAOYSA-N -1 1 352.387 2.479 20 0 FEADMM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000189471092 328150240 /nfs/dbraw/zinc/15/02/40/328150240.db2.gz BOPZHPHEDBNRRR-HXUWFJFHSA-N -1 1 368.437 2.477 20 0 FEADMM CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000189827766 328170081 /nfs/dbraw/zinc/17/00/81/328170081.db2.gz DCVOEDDBHYTAGJ-OAHLLOKOSA-N -1 1 355.232 2.286 20 0 FEADMM Cc1ccn(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000190321174 328200033 /nfs/dbraw/zinc/20/00/33/328200033.db2.gz QVYKPJUKJIGAPF-UHFFFAOYSA-N -1 1 363.439 2.076 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@](C)(O)C2CCCCC2)c(=O)[n-]1 ZINC000190504089 328212284 /nfs/dbraw/zinc/21/22/84/328212284.db2.gz GPBWRKKOXFQSHW-SFHVURJKSA-N -1 1 367.515 2.180 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Cl)ccc1OCC1CCC1 ZINC000190870118 328237378 /nfs/dbraw/zinc/23/73/78/328237378.db2.gz UVLOAZQZPRCICY-UHFFFAOYSA-N -1 1 369.817 2.425 20 0 FEADMM CCO[C@H]1C[C@@](O)(CNC(=O)c2ccc(Br)c([O-])c2)C1(C)C ZINC000191759887 328280214 /nfs/dbraw/zinc/28/02/14/328280214.db2.gz ZHXHCNUWJGYOMM-XJKSGUPXSA-N -1 1 372.259 2.451 20 0 FEADMM C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000191805169 328282891 /nfs/dbraw/zinc/28/28/91/328282891.db2.gz VVUNTWSGLYQTJX-SECBINFHSA-N -1 1 351.346 2.060 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000191887439 328286688 /nfs/dbraw/zinc/28/66/88/328286688.db2.gz JXMJMQILQIGMIA-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM O=c1cc(CN2CCN(Cc3ccccn3)CC2)c2ccc([O-])cc2o1 ZINC000193025354 328352645 /nfs/dbraw/zinc/35/26/45/328352645.db2.gz ILYJZWAMYHSYBT-UHFFFAOYSA-N -1 1 351.406 2.211 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)N(C)CCOc2ccccc2F)n1 ZINC000195076077 328454951 /nfs/dbraw/zinc/45/49/51/328454951.db2.gz JKCOPJVRCGPUDG-UHFFFAOYSA-N -1 1 365.430 2.101 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)c(F)c1 ZINC000195341339 328472947 /nfs/dbraw/zinc/47/29/47/328472947.db2.gz OCHHYQSIQDCBCP-UHFFFAOYSA-N -1 1 362.386 2.199 20 0 FEADMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000195480587 328479666 /nfs/dbraw/zinc/47/96/66/328479666.db2.gz NMIUTQRMWYYSHE-OIBJUYFYSA-N -1 1 370.780 2.162 20 0 FEADMM C[C@@]1(NC(=O)c2cc(I)ccc2[O-])CCCOC1 ZINC000235429504 328489022 /nfs/dbraw/zinc/48/90/22/328489022.db2.gz HOACXGBWJZZJPS-CYBMUJFWSA-N -1 1 361.179 2.296 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1ccccc1Cl ZINC000047211539 324629322 /nfs/dbraw/zinc/62/93/22/324629322.db2.gz ZQPHQQBBVAAERK-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM C[C@H](CO)CCCNC(=O)c1cc(I)ccc1[O-] ZINC000230319135 328486820 /nfs/dbraw/zinc/48/68/20/328486820.db2.gz MEUYATHAERMVAL-VIFPVBQESA-N -1 1 363.195 2.135 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)C1CCCC1 ZINC000237115093 328505113 /nfs/dbraw/zinc/50/51/13/328505113.db2.gz GKCADNWCCJOWCU-UHFFFAOYSA-N -1 1 354.472 2.188 20 0 FEADMM Cn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000078622205 325054202 /nfs/dbraw/zinc/05/42/02/325054202.db2.gz PTAGLVJWBQBXON-LLVKDONJSA-N -1 1 356.455 2.303 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(O)CC3)c2)cc1 ZINC000079085368 325075384 /nfs/dbraw/zinc/07/53/84/325075384.db2.gz JGTMDVYBHBMITA-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM Cc1cc(C(=O)N2CCc3ccc(Cl)cc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000081305458 325169326 /nfs/dbraw/zinc/16/93/26/325169326.db2.gz FHOREQGAFYLIEC-UHFFFAOYSA-N -1 1 356.769 2.188 20 0 FEADMM Cc1cc(C(=O)N2CCc3ccc(Cl)cc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000081305458 325169329 /nfs/dbraw/zinc/16/93/29/325169329.db2.gz FHOREQGAFYLIEC-UHFFFAOYSA-N -1 1 356.769 2.188 20 0 FEADMM CC(C)C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)N1CCOCC1 ZINC000084936286 325246943 /nfs/dbraw/zinc/24/69/43/325246943.db2.gz BTOVRWZBEQMWDT-MRXNPFEDSA-N -1 1 366.483 2.458 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccc(Cl)cc3C2)o1 ZINC000090446564 325358607 /nfs/dbraw/zinc/35/86/07/325358607.db2.gz HAGKHSPXHQQVEO-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM Cc1csc(N2CCCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000098022728 325464038 /nfs/dbraw/zinc/46/40/38/325464038.db2.gz OHBKUCOKBVGXRJ-UHFFFAOYSA-N -1 1 369.450 2.041 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1)N1CCCC1 ZINC000110097086 325683218 /nfs/dbraw/zinc/68/32/18/325683218.db2.gz OCKFYDSMBPJACM-INIZCTEOSA-N -1 1 352.456 2.233 20 0 FEADMM O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111578951 325725580 /nfs/dbraw/zinc/72/55/80/325725580.db2.gz VWIBQFDYZMURKT-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111570917 325725987 /nfs/dbraw/zinc/72/59/87/325725987.db2.gz AWGKGBZHMGUUDD-UHFFFAOYSA-N -1 1 357.385 2.095 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCc3c2cccc3O)c(=O)[n-]1 ZINC000111603614 325726651 /nfs/dbraw/zinc/72/66/51/325726651.db2.gz KIAJPIKPUBTHRQ-CQSZACIVSA-N -1 1 359.451 2.242 20 0 FEADMM CS[C@H]1CCC[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000117315656 326056979 /nfs/dbraw/zinc/05/69/79/326056979.db2.gz KPIJDBGMFYNDFM-GJZGRUSLSA-N -1 1 372.494 2.473 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686111 326097473 /nfs/dbraw/zinc/09/74/73/326097473.db2.gz OTRGQAUIJKGSMV-LERXQTSPSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686111 326097476 /nfs/dbraw/zinc/09/74/76/326097476.db2.gz OTRGQAUIJKGSMV-LERXQTSPSA-N -1 1 374.832 2.265 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCN(c3ccc(Cl)cc3)C1)c2=O ZINC000119488098 326168180 /nfs/dbraw/zinc/16/81/80/326168180.db2.gz LAMWTOWVEAOWGW-LBPRGKRZSA-N -1 1 371.828 2.336 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCOc3cc(F)ccc31)c2=O ZINC000119490256 326168194 /nfs/dbraw/zinc/16/81/94/326168194.db2.gz MIXCMMVOJBCEPY-AWEZNQCLSA-N -1 1 356.357 2.457 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](O)C2)c1 ZINC000119707243 326189770 /nfs/dbraw/zinc/18/97/70/326189770.db2.gz HWAJPRKNLQFRTM-HNNXBMFYSA-N -1 1 374.462 2.311 20 0 FEADMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nccn3C)n[nH]2)C1 ZINC000119721180 326191459 /nfs/dbraw/zinc/19/14/59/326191459.db2.gz XZTKAILJSDJFJT-CHWSQXEVSA-N -1 1 358.446 2.033 20 0 FEADMM O=C([N-]N1CCCCC1=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000120270801 326245612 /nfs/dbraw/zinc/24/56/12/326245612.db2.gz YHHJRPGOPOFSES-UHFFFAOYSA-N -1 1 363.215 2.497 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCO)cc2)cc1C ZINC000120373809 326253434 /nfs/dbraw/zinc/25/34/34/326253434.db2.gz YSAUVYLOSMVASK-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000120454370 326259862 /nfs/dbraw/zinc/25/98/62/326259862.db2.gz JVMZUQFGCCJIRJ-LJQANCHMSA-N -1 1 369.421 2.178 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000120837253 326291895 /nfs/dbraw/zinc/29/18/95/326291895.db2.gz VSMVMRMVYQGPQF-HUUCEWRRSA-N -1 1 362.451 2.329 20 0 FEADMM CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000123015535 326417376 /nfs/dbraw/zinc/41/73/76/326417376.db2.gz DNLWLQQLFGAKEA-NSHDSACASA-N -1 1 355.232 2.143 20 0 FEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)s1 ZINC000125336935 326469901 /nfs/dbraw/zinc/46/99/01/326469901.db2.gz JJNOMZKIMBHLPJ-SNVBAGLBSA-N -1 1 371.484 2.348 20 0 FEADMM Cc1csc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)n1 ZINC000125520102 326473278 /nfs/dbraw/zinc/47/32/78/326473278.db2.gz RFWDHJGGERJXSJ-UHFFFAOYSA-N -1 1 368.303 2.457 20 0 FEADMM COC(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000128710693 326528587 /nfs/dbraw/zinc/52/85/87/326528587.db2.gz LHWFICFXBUPOPD-UHFFFAOYSA-N -1 1 359.325 2.369 20 0 FEADMM C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000129208401 326536365 /nfs/dbraw/zinc/53/63/65/326536365.db2.gz GVFLIRAUQDASOY-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129603523 326543415 /nfs/dbraw/zinc/54/34/15/326543415.db2.gz JEVWQDMNXQCCNV-QMMMGPOBSA-N -1 1 360.844 2.413 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc(F)cc1 ZINC000130498403 326558110 /nfs/dbraw/zinc/55/81/10/326558110.db2.gz XLGYUUNIQMDHTO-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM O=C(NCCCNC(=O)C1CCC1)c1ccc(Br)c([O-])c1 ZINC000132342777 326590952 /nfs/dbraw/zinc/59/09/52/326590952.db2.gz VBXXTWJSJTTWPA-UHFFFAOYSA-N -1 1 355.232 2.191 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000133009146 326601681 /nfs/dbraw/zinc/60/16/81/326601681.db2.gz IULDXCPORILHMX-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000137296917 326659697 /nfs/dbraw/zinc/65/96/97/326659697.db2.gz ZCOCUEIQJANRGC-ZDUSSCGKSA-N -1 1 369.259 2.092 20 0 FEADMM COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000138330608 326662542 /nfs/dbraw/zinc/66/25/42/326662542.db2.gz SSPJTRVWDRCQGO-ZDUSSCGKSA-N -1 1 352.394 2.028 20 0 FEADMM Cn1ccc(N2CCC[C@H](Sc3nc(C(F)(F)F)cc(=O)[n-]3)C2=O)n1 ZINC000151039989 326673425 /nfs/dbraw/zinc/67/34/25/326673425.db2.gz JKAFABCCFSWTBN-QMMMGPOBSA-N -1 1 373.360 2.222 20 0 FEADMM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000154097736 326751105 /nfs/dbraw/zinc/75/11/05/326751105.db2.gz IJAFKAYRIPOCPX-ZYHUDNBSSA-N -1 1 355.232 2.319 20 0 FEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000155005218 326774908 /nfs/dbraw/zinc/77/49/08/326774908.db2.gz HNZVLNJRINPSMD-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(-c3ccc(C)o3)c2C)o1 ZINC000161599083 327003832 /nfs/dbraw/zinc/00/38/32/327003832.db2.gz UGKJATJUXBZTJS-UHFFFAOYSA-N -1 1 364.383 2.040 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000164598351 327072487 /nfs/dbraw/zinc/07/24/87/327072487.db2.gz SMQJCMVMHWOFGT-CYBMUJFWSA-N -1 1 374.359 2.041 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c2ccccc2O1 ZINC000172687182 327214442 /nfs/dbraw/zinc/21/44/42/327214442.db2.gz PACYMAPQBSVVRP-CQSZACIVSA-N -1 1 366.421 2.386 20 0 FEADMM Cc1sc(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)c(C)c1C ZINC000172870639 327223854 /nfs/dbraw/zinc/22/38/54/327223854.db2.gz VHJOCXBNACOPCY-UHFFFAOYSA-N -1 1 354.457 2.081 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C12CCCCC2 ZINC000173064797 327233318 /nfs/dbraw/zinc/23/33/18/327233318.db2.gz XAMOFZLVHJJFQG-ZIAGYGMSSA-N -1 1 370.471 2.045 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)o1 ZINC000173540523 327265230 /nfs/dbraw/zinc/26/52/30/327265230.db2.gz MARMWTNACWEVFY-UHFFFAOYSA-N -1 1 374.422 2.149 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cc(C)c1F ZINC000174007036 327301332 /nfs/dbraw/zinc/30/13/32/327301332.db2.gz RXKYLIWTYOVBTJ-UHFFFAOYSA-N -1 1 351.403 2.340 20 0 FEADMM COC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccco1 ZINC000174632179 327340152 /nfs/dbraw/zinc/34/01/52/327340152.db2.gz HRQDLUDAIGJRSX-CQSZACIVSA-N -1 1 358.398 2.081 20 0 FEADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2)o1 ZINC000174767398 327349515 /nfs/dbraw/zinc/34/95/15/327349515.db2.gz WYLRBGLLGLQHGU-UHFFFAOYSA-N -1 1 372.406 2.199 20 0 FEADMM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000175188895 327378938 /nfs/dbraw/zinc/37/89/38/327378938.db2.gz DBKXKZWFQUEEFN-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000176255531 327444212 /nfs/dbraw/zinc/44/42/12/327444212.db2.gz DMVFPPBMLLQAFQ-WDEREUQCSA-N -1 1 355.225 2.257 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)C12CCCC2 ZINC000176484601 327458554 /nfs/dbraw/zinc/45/85/54/327458554.db2.gz LJKCLUGVERKMDX-NEPJUHHUSA-N -1 1 351.472 2.268 20 0 FEADMM CC[C@@H](Oc1ccccc1C)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000176693101 327470413 /nfs/dbraw/zinc/47/04/13/327470413.db2.gz FDTRWDRJQUUJTA-MRXNPFEDSA-N -1 1 368.437 2.422 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000178797351 327607737 /nfs/dbraw/zinc/60/77/37/327607737.db2.gz YURZBAIMBSRIHI-UHFFFAOYSA-N -1 1 370.228 2.005 20 0 FEADMM CCC[C@H](N[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000262328484 328859267 /nfs/dbraw/zinc/85/92/67/328859267.db2.gz XOGUDBJTZUQUNF-DOMZBBRYSA-N -1 1 356.850 2.409 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)Nc3ccccc3CC(=O)[O-])c2)CC1 ZINC000262704739 328882346 /nfs/dbraw/zinc/88/23/46/328882346.db2.gz AOCMBCFKIGDUQU-UHFFFAOYSA-N -1 1 367.449 2.313 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCS[C@H](C)C1 ZINC000264231337 329002659 /nfs/dbraw/zinc/00/26/59/329002659.db2.gz ROVWVOJXQCQXJG-GFCCVEGCSA-N -1 1 358.467 2.449 20 0 FEADMM Cc1nc(CN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)no1 ZINC000264326287 329010392 /nfs/dbraw/zinc/01/03/92/329010392.db2.gz IVGMAHZFYWPRSZ-UHFFFAOYSA-N -1 1 352.394 2.195 20 0 FEADMM CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(Br)ccc1[O-] ZINC000265020332 329083770 /nfs/dbraw/zinc/08/37/70/329083770.db2.gz DSWVGQNHEJZYOC-UHFFFAOYSA-N -1 1 364.261 2.098 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1C ZINC000267256328 329307666 /nfs/dbraw/zinc/30/76/66/329307666.db2.gz CFTOFWPNGNBBFG-UHFFFAOYSA-N -1 1 363.439 2.039 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2oc(C)nc2C)c1 ZINC000267481771 329331957 /nfs/dbraw/zinc/33/19/57/329331957.db2.gz CIUFBIYEEBJGKS-UHFFFAOYSA-N -1 1 367.427 2.280 20 0 FEADMM CC(=O)N1CCN(c2ccccc2CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000267530121 329335914 /nfs/dbraw/zinc/33/59/14/329335914.db2.gz VJMNURIFDHMUBJ-UHFFFAOYSA-N -1 1 371.412 2.130 20 0 FEADMM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccon3)n2)ccc1F ZINC000268522719 329430500 /nfs/dbraw/zinc/43/05/00/329430500.db2.gz VFQNGYWUOGKECR-JTQLQIEISA-N -1 1 366.374 2.353 20 0 FEADMM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000268824557 329458962 /nfs/dbraw/zinc/45/89/62/329458962.db2.gz UVICVPHEVDRFDA-HNNXBMFYSA-N -1 1 351.449 2.105 20 0 FEADMM Cn1cc(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])cn1 ZINC000271256088 329677591 /nfs/dbraw/zinc/67/75/91/329677591.db2.gz LNAQEQPVTSTGBK-UHFFFAOYSA-N -1 1 372.303 2.167 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(N2CCNC2=O)CC1 ZINC000271882047 329733872 /nfs/dbraw/zinc/73/38/72/329733872.db2.gz QZEBOQIETKCWDU-UHFFFAOYSA-N -1 1 357.332 2.041 20 0 FEADMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000272104585 329752567 /nfs/dbraw/zinc/75/25/67/329752567.db2.gz MVFDUDKHELUNHC-HSZRJFAPSA-N -1 1 367.448 2.403 20 0 FEADMM CC(C)(CCO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000272170291 329757161 /nfs/dbraw/zinc/75/71/61/329757161.db2.gz JHAHXSWFRJHJOZ-UHFFFAOYSA-N -1 1 364.320 2.394 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1nc(C2CC2)no1 ZINC000272180933 329758123 /nfs/dbraw/zinc/75/81/23/329758123.db2.gz IVWPADSLILYDMS-CQSZACIVSA-N -1 1 365.411 2.351 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC[C@@H]1CCCCO1 ZINC000272984025 329828191 /nfs/dbraw/zinc/82/81/91/329828191.db2.gz MGPJHUOTXIULRZ-HNNXBMFYSA-N -1 1 356.426 2.171 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@]1(C)CCCO ZINC000273342709 329857234 /nfs/dbraw/zinc/85/72/34/329857234.db2.gz RAJGSMVWKUGNJO-HXUWFJFHSA-N -1 1 370.453 2.249 20 0 FEADMM CCCc1nc(C(=O)[N-]c2nnc(SCC(=O)OCC)s2)co1 ZINC000273640233 329880878 /nfs/dbraw/zinc/88/08/78/329880878.db2.gz YVIWLWXYIBZQIW-UHFFFAOYSA-N -1 1 356.429 2.386 20 0 FEADMM CCc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1CC ZINC000274918165 329992588 /nfs/dbraw/zinc/99/25/88/329992588.db2.gz AKORYDGSKVDHTF-QGZVFWFLSA-N -1 1 368.499 2.029 20 0 FEADMM CC[C@@]1(CO)CCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000275204620 330021789 /nfs/dbraw/zinc/02/17/89/330021789.db2.gz IHFVPLSPIHLIJL-QGZVFWFLSA-N -1 1 353.488 2.156 20 0 FEADMM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000275770420 330087055 /nfs/dbraw/zinc/08/70/55/330087055.db2.gz DNSCYCPJPTXDOL-QMMMGPOBSA-N -1 1 356.220 2.183 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000276310895 330139591 /nfs/dbraw/zinc/13/95/91/330139591.db2.gz NCFCPHRUQLJDFL-UHFFFAOYSA-N -1 1 369.464 2.080 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cccc2c1OCO2 ZINC000299689532 330198416 /nfs/dbraw/zinc/19/84/16/330198416.db2.gz VOICVCLISKAERJ-UHFFFAOYSA-N -1 1 368.393 2.029 20 0 FEADMM O=C(c1ccc(Br)c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000367123015 330219751 /nfs/dbraw/zinc/21/97/51/330219751.db2.gz KKDUGAPTOKQCQO-VIFPVBQESA-N -1 1 354.183 2.121 20 0 FEADMM CCCc1c([N-]S(=O)(=O)C[C@H](C)OC)cnn1-c1cc(C)ccn1 ZINC000367179991 330226786 /nfs/dbraw/zinc/22/67/86/330226786.db2.gz QZOLVTNSXWRALO-ZDUSSCGKSA-N -1 1 352.460 2.305 20 0 FEADMM CC[C@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C[C@]2(CCOC2)O1 ZINC000373630891 330246834 /nfs/dbraw/zinc/24/68/34/330246834.db2.gz XEVXUDRAGNPGRF-DJJJIMSYSA-N -1 1 363.458 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3F)co2)co1 ZINC000373640957 330247606 /nfs/dbraw/zinc/24/76/06/330247606.db2.gz RSSFOELMDFOAPL-UHFFFAOYSA-N -1 1 365.342 2.234 20 0 FEADMM CC(C)OCCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804871625 674304676 /nfs/dbraw/zinc/30/46/76/674304676.db2.gz OWULHEMVFNTSDJ-AVGNSLFASA-N -1 1 367.412 2.289 20 0 FEADMM COCCCCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805025591 674313520 /nfs/dbraw/zinc/31/35/20/674313520.db2.gz QSJAVRDBMLEOSV-AVGNSLFASA-N -1 1 367.412 2.290 20 0 FEADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000805080912 674317672 /nfs/dbraw/zinc/31/76/72/674317672.db2.gz NYIHPOMRPDIZNZ-LLVKDONJSA-N -1 1 368.768 2.359 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(C(C)(C)C)no1 ZINC000554702613 674330938 /nfs/dbraw/zinc/33/09/38/674330938.db2.gz BRYHZJRPZWABDT-SECBINFHSA-N -1 1 353.400 2.135 20 0 FEADMM CCc1oc(C(=O)[N-]c2sccc2S(C)(=O)=O)cc1C(=O)OC ZINC000554971708 674343973 /nfs/dbraw/zinc/34/39/73/674343973.db2.gz QRIJVBBKZZYBQA-UHFFFAOYSA-N -1 1 357.409 2.346 20 0 FEADMM O=C(OCc1cc2c(cc1Br)OCCCO2)c1cn[n-]n1 ZINC000805607666 674347244 /nfs/dbraw/zinc/34/72/44/674347244.db2.gz OJONFARNEKBKRR-UHFFFAOYSA-N -1 1 354.160 2.086 20 0 FEADMM O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(I)c([O-])c1 ZINC000300416383 553616961 /nfs/dbraw/zinc/61/69/61/553616961.db2.gz KCVKEAOWAAHUCP-MGCOHNPYSA-N -1 1 361.179 2.030 20 0 FEADMM Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c2)nn1 ZINC000155480056 545531122 /nfs/dbraw/zinc/53/11/22/545531122.db2.gz VOIYLPPCPCXSNE-AWEZNQCLSA-N -1 1 364.413 2.062 20 0 FEADMM O=C(Cc1cc(Br)ccc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155526310 545538132 /nfs/dbraw/zinc/53/81/32/545538132.db2.gz DUVGPEFJJDEGML-VIFPVBQESA-N -1 1 368.210 2.050 20 0 FEADMM O=C(NCCO)c1ccc(=NCCCO[C@H]2CCCc3ccccc32)[n-]n1 ZINC000488390066 538736246 /nfs/dbraw/zinc/73/62/46/538736246.db2.gz NMGCWUGGZGMRGM-SFHVURJKSA-N -1 1 370.453 2.095 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1F ZINC000477323684 561142300 /nfs/dbraw/zinc/14/23/00/561142300.db2.gz ZRBXJOMCQNYATA-UHFFFAOYSA-N -1 1 353.327 2.142 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(=O)N1Cc2ccccc2C1 ZINC000477554002 561147781 /nfs/dbraw/zinc/14/77/81/561147781.db2.gz RWSOHLNDJBDPFA-UHFFFAOYSA-N -1 1 368.437 2.060 20 0 FEADMM O=C(Cc1cc2c(ccc3ccccc23)o1)NCCCc1nc(=O)[n-][nH]1 ZINC000157181717 545709711 /nfs/dbraw/zinc/70/97/11/545709711.db2.gz WLMNHVWZPVTJBU-UHFFFAOYSA-N -1 1 350.378 2.289 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000477611367 561149209 /nfs/dbraw/zinc/14/92/09/561149209.db2.gz OLUPNIYPLHIOSY-GFCCVEGCSA-N -1 1 371.397 2.290 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(F)c(C)cc3s2)o1 ZINC000478095000 561159924 /nfs/dbraw/zinc/15/99/24/561159924.db2.gz ZBOVYBUYEGHNKY-UHFFFAOYSA-N -1 1 369.399 2.497 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3cc(F)c(C)cc3s2)co1 ZINC000478100353 561160002 /nfs/dbraw/zinc/16/00/02/561160002.db2.gz JPNACKFSTUHUNJ-UHFFFAOYSA-N -1 1 369.399 2.497 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)c1 ZINC000158756760 545892940 /nfs/dbraw/zinc/89/29/40/545892940.db2.gz BXOPBKGXUUVLRX-UHFFFAOYSA-N -1 1 372.406 2.239 20 0 FEADMM COC(=O)c1sc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)nc1C ZINC000478284426 561163690 /nfs/dbraw/zinc/16/36/90/561163690.db2.gz YDRJSYHNTRNNLC-UHFFFAOYSA-N -1 1 370.390 2.445 20 0 FEADMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2)c(=O)[nH]1 ZINC000478696606 561172976 /nfs/dbraw/zinc/17/29/76/561172976.db2.gz LUYUPTXGKSXJCI-UHFFFAOYSA-N -1 1 373.390 2.416 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3ccc(=O)n(C)c3c1)OCO2 ZINC000479256541 561185888 /nfs/dbraw/zinc/18/58/88/561185888.db2.gz MNGCPFTVZHDURX-UHFFFAOYSA-N -1 1 372.402 2.376 20 0 FEADMM Cc1cccc(F)c1S(=O)(=O)Nc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000479512221 561190963 /nfs/dbraw/zinc/19/09/63/561190963.db2.gz QRBRGJAYNLFZRL-UHFFFAOYSA-N -1 1 367.354 2.404 20 0 FEADMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cn1 ZINC000479547264 561191639 /nfs/dbraw/zinc/19/16/39/561191639.db2.gz VYKUPXHSEZZSDB-UHFFFAOYSA-N -1 1 374.426 2.037 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c2cccc(F)c2O1 ZINC000479560973 561191950 /nfs/dbraw/zinc/19/19/50/561191950.db2.gz SJVIPLXXGQSWCB-VIFPVBQESA-N -1 1 367.354 2.206 20 0 FEADMM C[C@@H](O)C[C@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000176135806 546411936 /nfs/dbraw/zinc/41/19/36/546411936.db2.gz YEOALBBWYSKIMC-DTWKUNHWSA-N -1 1 363.195 2.134 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1nn[n-]n1 ZINC000176751269 546483196 /nfs/dbraw/zinc/48/31/96/546483196.db2.gz QLDFAGGKXLMFKA-OAHLLOKOSA-N -1 1 365.397 2.118 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(I)cc1)c1nn[n-]n1 ZINC000176748664 546483564 /nfs/dbraw/zinc/48/35/64/546483564.db2.gz RKWAUVSNHHNYPU-JTQLQIEISA-N -1 1 371.182 2.076 20 0 FEADMM CCC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)c1nn[n-]n1 ZINC000176781439 546487025 /nfs/dbraw/zinc/48/70/25/546487025.db2.gz SSMUUAJAVSRNGQ-ZDUSSCGKSA-N -1 1 369.429 2.229 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000177201851 546568262 /nfs/dbraw/zinc/56/82/62/546568262.db2.gz QFXNTSORXPSICR-OLZOCXBDSA-N -1 1 352.438 2.490 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)o1 ZINC000480864459 561218581 /nfs/dbraw/zinc/21/85/81/561218581.db2.gz NCJLEQACWRPCOU-GFCCVEGCSA-N -1 1 357.428 2.226 20 0 FEADMM CCS[C@H]1CCC[C@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000178035531 546727635 /nfs/dbraw/zinc/72/76/35/546727635.db2.gz SMNOLHWWGWYCMA-CVEARBPZSA-N -1 1 372.494 2.473 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2sccc2Br)c(=O)n(C)c1 ZINC000481582410 561236579 /nfs/dbraw/zinc/23/65/79/561236579.db2.gz ZNFIVLWWKVBUCD-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1COCCN1CC1CCC1 ZINC000481602655 561237125 /nfs/dbraw/zinc/23/71/25/561237125.db2.gz YIZAWIZEAKMSDH-KRWDZBQOSA-N -1 1 356.426 2.222 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c(C)c1 ZINC000481604878 561237195 /nfs/dbraw/zinc/23/71/95/561237195.db2.gz GNZHFJDEDUAPSK-UHFFFAOYSA-N -1 1 350.396 2.468 20 0 FEADMM O=C(NC1CC[NH+](CCC[N-]C(=O)C(F)(F)F)CC1)c1ccsc1 ZINC000179680878 546997024 /nfs/dbraw/zinc/99/70/24/546997024.db2.gz WMLARRQFDDPFGE-UHFFFAOYSA-N -1 1 363.405 2.011 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc12 ZINC000180354793 547090068 /nfs/dbraw/zinc/09/00/68/547090068.db2.gz OMCXUQJCMIWDBC-UHFFFAOYSA-N -1 1 358.379 2.117 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc12 ZINC000180354793 547090073 /nfs/dbraw/zinc/09/00/73/547090073.db2.gz OMCXUQJCMIWDBC-UHFFFAOYSA-N -1 1 358.379 2.117 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482870526 561261799 /nfs/dbraw/zinc/26/17/99/561261799.db2.gz XKEJHDTYAQQIMD-OLZOCXBDSA-N -1 1 357.385 2.109 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000181032484 547235432 /nfs/dbraw/zinc/23/54/32/547235432.db2.gz JKNGDHGTXSERKC-DNVCBOLYSA-N -1 1 372.446 2.272 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(Cc2cccc(F)c2)CC1 ZINC000483148898 561268845 /nfs/dbraw/zinc/26/88/45/561268845.db2.gz HUJDZHDNWXQNIM-UHFFFAOYSA-N -1 1 371.412 2.137 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)c1nn[n-]n1 ZINC000183393856 547649199 /nfs/dbraw/zinc/64/91/99/547649199.db2.gz MIRHVRJNIKEIJZ-NXEZZACHSA-N -1 1 357.336 2.248 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc2ccc(Br)cc2[nH]1)c1nn[n-]n1 ZINC000183395136 547649267 /nfs/dbraw/zinc/64/92/67/547649267.db2.gz OCKACVOVIGGZFV-MRVPVSSYSA-N -1 1 363.219 2.319 20 0 FEADMM C[C@H](CN(C)C(=O)COc1ccc(Cl)c2cccnc12)c1nn[n-]n1 ZINC000183395846 547650652 /nfs/dbraw/zinc/65/06/52/547650652.db2.gz IVJQGZZTVJBIMU-SNVBAGLBSA-N -1 1 360.805 2.042 20 0 FEADMM Cc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000183413968 547653747 /nfs/dbraw/zinc/65/37/47/547653747.db2.gz PEPPMQMZUCHROO-SNVBAGLBSA-N -1 1 359.821 2.223 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nn[n-]n1 ZINC000183421028 547655833 /nfs/dbraw/zinc/65/58/33/547655833.db2.gz KSIKCWOCAVUHHM-SNVBAGLBSA-N -1 1 357.336 2.293 20 0 FEADMM Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183441647 547660419 /nfs/dbraw/zinc/66/04/19/547660419.db2.gz VSFNPTADKJHOJF-SNVBAGLBSA-N -1 1 374.426 2.291 20 0 FEADMM C[C@H](CN(C)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1nn[n-]n1 ZINC000183454660 547662541 /nfs/dbraw/zinc/66/25/41/547662541.db2.gz CQHBIQGZRVPUOK-CYBMUJFWSA-N -1 1 365.441 2.203 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000484491956 561298611 /nfs/dbraw/zinc/29/86/11/561298611.db2.gz JXNIQRDORSMSSN-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)cnc2N)c(C(=O)[O-])c1 ZINC000484530936 561299187 /nfs/dbraw/zinc/29/91/87/561299187.db2.gz FYBAHUPQHAIAOQ-UHFFFAOYSA-N -1 1 355.803 2.433 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000484562777 561300007 /nfs/dbraw/zinc/30/00/07/561300007.db2.gz WRKUFGUHLISLLQ-UHFFFAOYSA-N -1 1 362.194 2.470 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccsc1 ZINC000184251632 547794955 /nfs/dbraw/zinc/79/49/55/547794955.db2.gz PMSPUTPPIUVLIW-HNNXBMFYSA-N -1 1 362.432 2.489 20 0 FEADMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1OCCO2 ZINC000484983135 561309759 /nfs/dbraw/zinc/30/97/59/561309759.db2.gz ALFGSQXXELVDSG-UHFFFAOYSA-N -1 1 371.317 2.235 20 0 FEADMM CC(C)c1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)[nH]n1 ZINC000184948496 547905540 /nfs/dbraw/zinc/90/55/40/547905540.db2.gz BGGQMJZYOBDLAU-UHFFFAOYSA-N -1 1 360.439 2.169 20 0 FEADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000485208501 561314855 /nfs/dbraw/zinc/31/48/55/561314855.db2.gz DAQIPNMACMJPAB-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000185052634 547924246 /nfs/dbraw/zinc/92/42/46/547924246.db2.gz PZDLUPWJIQKSGK-UHFFFAOYSA-N -1 1 374.509 2.260 20 0 FEADMM Cc1ccc(OC2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)nc1 ZINC000185547705 548000425 /nfs/dbraw/zinc/00/04/25/548000425.db2.gz QJQVSSHYXJBSJM-UHFFFAOYSA-N -1 1 364.405 2.310 20 0 FEADMM O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cncc([O-])c1 ZINC000186077399 548080763 /nfs/dbraw/zinc/08/07/63/548080763.db2.gz KFTZUKAQPIYGNO-ZDUSSCGKSA-N -1 1 365.311 2.341 20 0 FEADMM Cc1c(Br)cccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485916740 561332335 /nfs/dbraw/zinc/33/23/35/561332335.db2.gz KZIFCKLYCDQTPL-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCC1(c2ccc(Cl)cc2)CCC1 ZINC000485898856 561331628 /nfs/dbraw/zinc/33/16/28/561331628.db2.gz ULALVHWBUQYLPX-UHFFFAOYSA-N -1 1 373.840 2.409 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC[C@@H]1O ZINC000186720439 548180982 /nfs/dbraw/zinc/18/09/82/548180982.db2.gz ZUTIIYZMAKSFQR-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000193941634 548411500 /nfs/dbraw/zinc/41/15/00/548411500.db2.gz LAKTWAZHSMGETB-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000486530622 561349975 /nfs/dbraw/zinc/34/99/75/561349975.db2.gz RLIDOYQTELPGEH-UHFFFAOYSA-N -1 1 365.407 2.220 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c1 ZINC000486611890 561352365 /nfs/dbraw/zinc/35/23/65/561352365.db2.gz NHJHSICRVPELLK-UHFFFAOYSA-N -1 1 367.427 2.122 20 0 FEADMM O=S(=O)(CC[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195116777 548579294 /nfs/dbraw/zinc/57/92/94/548579294.db2.gz BKTSOIJERFNFBA-GFCCVEGCSA-N -1 1 371.846 2.380 20 0 FEADMM O=S(=O)(CC[C@H]1CCCO1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195116777 548579298 /nfs/dbraw/zinc/57/92/98/548579298.db2.gz BKTSOIJERFNFBA-GFCCVEGCSA-N -1 1 371.846 2.380 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195158018 548585749 /nfs/dbraw/zinc/58/57/49/548585749.db2.gz CYBYQIWZNUNKPS-UHFFFAOYSA-N -1 1 371.875 2.126 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195158018 548585756 /nfs/dbraw/zinc/58/57/56/548585756.db2.gz CYBYQIWZNUNKPS-UHFFFAOYSA-N -1 1 371.875 2.126 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2nccn2Cc2ccccc2)n[n-]1 ZINC000195166931 548587996 /nfs/dbraw/zinc/58/79/96/548587996.db2.gz BPVAPGOIWXZWHU-UHFFFAOYSA-N -1 1 359.455 2.321 20 0 FEADMM Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195172019 548590150 /nfs/dbraw/zinc/59/01/50/548590150.db2.gz HVZYNCXSLVLKBF-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195172019 548590157 /nfs/dbraw/zinc/59/01/57/548590157.db2.gz HVZYNCXSLVLKBF-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195172019 548590162 /nfs/dbraw/zinc/59/01/62/548590162.db2.gz HVZYNCXSLVLKBF-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)[n-]1 ZINC000195176593 548591375 /nfs/dbraw/zinc/59/13/75/548591375.db2.gz IAGHRCBKJTYLCF-UHFFFAOYSA-N -1 1 363.418 2.401 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)n1 ZINC000195176593 548591379 /nfs/dbraw/zinc/59/13/79/548591379.db2.gz IAGHRCBKJTYLCF-UHFFFAOYSA-N -1 1 363.418 2.401 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)n[n-]1 ZINC000195176593 548591385 /nfs/dbraw/zinc/59/13/85/548591385.db2.gz IAGHRCBKJTYLCF-UHFFFAOYSA-N -1 1 363.418 2.401 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)o1 ZINC000487160334 561365119 /nfs/dbraw/zinc/36/51/19/561365119.db2.gz XTXIMIAROUKGLE-WFASDCNBSA-N -1 1 359.444 2.186 20 0 FEADMM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000195480583 548647341 /nfs/dbraw/zinc/64/73/41/548647341.db2.gz NMIUTQRMWYYSHE-GMSGAONNSA-N -1 1 370.780 2.162 20 0 FEADMM CCc1cnc(CNC(=O)c2cc(I)ccc2[O-])o1 ZINC000234203483 548765114 /nfs/dbraw/zinc/76/51/14/548765114.db2.gz RWBAEVFWSCAUGD-UHFFFAOYSA-N -1 1 372.162 2.477 20 0 FEADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n[nH]1 ZINC000490263331 561429885 /nfs/dbraw/zinc/42/98/85/561429885.db2.gz SYEYQLQBHDCOGW-NXEZZACHSA-N -1 1 366.443 2.455 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000490301536 561430524 /nfs/dbraw/zinc/43/05/24/561430524.db2.gz QDNQEOUEYYKRCH-KRWDZBQOSA-N -1 1 367.515 2.251 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H](CO)c2cccnc2)cc(Cl)c1[O-] ZINC000490402062 561432451 /nfs/dbraw/zinc/43/24/51/561432451.db2.gz YOOKSEOQJQSCJQ-ZDUSSCGKSA-N -1 1 350.802 2.345 20 0 FEADMM CC(C)[C@H](NC(=O)CN(C)CCC(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000262670769 549837628 /nfs/dbraw/zinc/83/76/28/549837628.db2.gz RMOYLQXKOBFRIW-IBGZPJMESA-N -1 1 364.442 2.068 20 0 FEADMM O=C([N-]c1n[nH]c(SCCO)n1)c1cc(-c2ccccc2Cl)on1 ZINC000490543615 561435021 /nfs/dbraw/zinc/43/50/21/561435021.db2.gz KHWZCODDRQTAGO-UHFFFAOYSA-N -1 1 365.802 2.450 20 0 FEADMM Cc1n[nH]c(C(F)F)c1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000263461226 549902730 /nfs/dbraw/zinc/90/27/30/549902730.db2.gz VSNPEUHDDBBFRU-LLVKDONJSA-N -1 1 363.324 2.314 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000490870682 561439503 /nfs/dbraw/zinc/43/95/03/561439503.db2.gz IYDHQVQOBKYONL-MNOVXSKESA-N -1 1 359.348 2.002 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000268459503 550070177 /nfs/dbraw/zinc/07/01/77/550070177.db2.gz WXGKEVZAPUSISP-UHFFFAOYSA-N -1 1 352.416 2.301 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2c(C)nc3sccn23)cc1 ZINC000268520317 550081037 /nfs/dbraw/zinc/08/10/37/550081037.db2.gz ZTBXOZGMEXLQIU-UHFFFAOYSA-N -1 1 372.450 2.101 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@H](c2cccs2)C(C)(C)C)n[n-]1 ZINC000268673132 550102187 /nfs/dbraw/zinc/10/21/87/550102187.db2.gz VEAFYMJTCHBGLI-CYBMUJFWSA-N -1 1 370.500 2.106 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccn(C)c2)c1 ZINC000268771591 550114590 /nfs/dbraw/zinc/11/45/90/550114590.db2.gz SFMOKZPIQIYVRX-UHFFFAOYSA-N -1 1 351.428 2.014 20 0 FEADMM CC1(C)CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@H]1c1ccccc1 ZINC000492692584 561452338 /nfs/dbraw/zinc/45/23/38/561452338.db2.gz REENIWJVEJYKMF-HNNXBMFYSA-N -1 1 353.422 2.169 20 0 FEADMM COC(=O)c1cccc(NC2CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000269310806 550179846 /nfs/dbraw/zinc/17/98/46/550179846.db2.gz BPNWYPZIPCRRPG-UHFFFAOYSA-N -1 1 355.394 2.291 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cn1 ZINC000269584302 550208135 /nfs/dbraw/zinc/20/81/35/550208135.db2.gz BUIDVRGVOFALJX-UHFFFAOYSA-N -1 1 351.762 2.262 20 0 FEADMM COc1cccc(C[C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000494164773 561463745 /nfs/dbraw/zinc/46/37/45/561463745.db2.gz ROCIMSBLTOJRHH-LBPRGKRZSA-N -1 1 368.437 2.350 20 0 FEADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272131018 550424388 /nfs/dbraw/zinc/42/43/88/550424388.db2.gz MKSGQMYLNAMSLN-LLVKDONJSA-N -1 1 356.444 2.106 20 0 FEADMM CCOC(=O)c1ccc(NC(=O)CSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000274922856 550565153 /nfs/dbraw/zinc/56/51/53/550565153.db2.gz NIUWZFLUWHUURD-UHFFFAOYSA-N -1 1 363.395 2.104 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(F)(F)C(F)F ZINC000276856310 550603799 /nfs/dbraw/zinc/60/37/99/550603799.db2.gz QBAQEZKOMMCILS-UHFFFAOYSA-N -1 1 358.295 2.112 20 0 FEADMM CCOC[C@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C(C)C ZINC000276989431 550618799 /nfs/dbraw/zinc/61/87/99/550618799.db2.gz VTVGJJPXODYXDM-AWEZNQCLSA-N -1 1 373.475 2.249 20 0 FEADMM O=C(NC[C@@H](CO)Cc1cccnc1)c1cc(Br)ccc1[O-] ZINC000277302089 550653912 /nfs/dbraw/zinc/65/39/12/550653912.db2.gz BFEZPHMSUSFJFY-LBPRGKRZSA-N -1 1 365.227 2.131 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000277607107 550691209 /nfs/dbraw/zinc/69/12/09/550691209.db2.gz FLSHGZYDLOUICV-UHFFFAOYSA-N -1 1 358.398 2.010 20 0 FEADMM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000277665451 550698710 /nfs/dbraw/zinc/69/87/10/550698710.db2.gz FVHMOBXNUUAYJP-CPCISQLKSA-N -1 1 370.215 2.431 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(COC)cc3)CC2)n1 ZINC000277690037 550701827 /nfs/dbraw/zinc/70/18/27/550701827.db2.gz LDVYFLUAJDYLDX-UHFFFAOYSA-N -1 1 372.425 2.148 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3ccccc3F)CC2)n1 ZINC000277828070 550718759 /nfs/dbraw/zinc/71/87/59/550718759.db2.gz VZGRIFFVZNIFRT-UHFFFAOYSA-N -1 1 360.389 2.069 20 0 FEADMM CCCCS(=O)(=O)Cc1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000277990185 550736529 /nfs/dbraw/zinc/73/65/29/550736529.db2.gz OUXDLHXCYXFXSD-UHFFFAOYSA-N -1 1 353.400 2.116 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1nc(Cl)ccc1[O-] ZINC000278694017 550812147 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363.780 2.232 20 0 FEADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000298199689 553397224 /nfs/dbraw/zinc/39/72/24/553397224.db2.gz WNOTYEOBXJALCT-JTQLQIEISA-N -1 1 357.395 2.370 20 0 FEADMM CC[C@@H](c1nnc(SCc2nn[n-]n2)n1-c1ccc(OC)cc1)N(C)C ZINC000298212061 553398956 /nfs/dbraw/zinc/39/89/56/553398956.db2.gz GRGUGXRXFLPLIX-ZDUSSCGKSA-N -1 1 374.474 2.094 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000298663013 553455865 /nfs/dbraw/zinc/45/58/65/553455865.db2.gz RQTLMCDNBCTVEO-LLVKDONJSA-N -1 1 364.427 2.344 20 0 FEADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1Br ZINC000298851993 553481090 /nfs/dbraw/zinc/48/10/90/553481090.db2.gz FLKCUUSKHRKWRG-LLVKDONJSA-N -1 1 365.231 2.189 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cccc3c2OCO3)c(=O)[n-]1 ZINC000298970406 553497188 /nfs/dbraw/zinc/49/71/88/553497188.db2.gz MIIZEHLCSLPJQE-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM O=C(CCc1ccc2ccccc2c1O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000299150843 553522040 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C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C(=O)[O-] ZINC000313981367 553758455 /nfs/dbraw/zinc/75/84/55/553758455.db2.gz PTGHDTXQVJCPHA-GXFFZTMASA-N -1 1 355.232 2.430 20 0 FEADMM C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(=O)[O-] ZINC000313981370 553758621 /nfs/dbraw/zinc/75/86/21/553758621.db2.gz PTGHDTXQVJCPHA-MFKMUULPSA-N -1 1 355.232 2.430 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)c[nH]1 ZINC000324185116 553771602 /nfs/dbraw/zinc/77/16/02/553771602.db2.gz ITWMVAKAZOPIIO-UHFFFAOYSA-N -1 1 366.786 2.353 20 0 FEADMM Cc1nn(C)c2ncc(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)cc12 ZINC000324609621 553773232 /nfs/dbraw/zinc/77/32/32/553773232.db2.gz WVZGGYAHFWLZMB-UHFFFAOYSA-N -1 1 366.424 2.146 20 0 FEADMM CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000324966723 553774330 /nfs/dbraw/zinc/77/43/30/553774330.db2.gz MELYIQLJBXMYTR-UHFFFAOYSA-N -1 1 352.368 2.436 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1 ZINC000327085420 553785737 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Cn1ncc2c1[n-]cc(C(=O)N[C@H](c1nccs1)C(F)(F)F)c2=O ZINC000507558221 561733195 /nfs/dbraw/zinc/73/31/95/561733195.db2.gz NYJFQPDTFHRRHS-SECBINFHSA-N -1 1 357.317 2.164 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOC)c2)cc1 ZINC000507630174 561735833 /nfs/dbraw/zinc/73/58/33/561735833.db2.gz OEWHAMFHYFKPCI-UHFFFAOYSA-N -1 1 362.451 2.426 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cc(OC)cc(S(C)(=O)=O)c2)cc1 ZINC000507633364 561735980 /nfs/dbraw/zinc/73/59/80/561735980.db2.gz DCORMJMFNFWUBI-UHFFFAOYSA-N -1 1 369.464 2.462 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000507951901 561747022 /nfs/dbraw/zinc/74/70/22/561747022.db2.gz QHEQFIZXTFYCMH-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c(=O)[n-]1 ZINC000330583262 554141450 /nfs/dbraw/zinc/14/14/50/554141450.db2.gz RVQYDBWKKNEBRZ-QWRGUYRKSA-N -1 1 352.460 2.355 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2F)cs1 ZINC000508100850 561751816 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CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000331240332 554235172 /nfs/dbraw/zinc/23/51/72/554235172.db2.gz PNKPPRUKPNIENJ-NSHDSACASA-N -1 1 355.232 2.286 20 0 FEADMM CO[C@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000331544410 554283057 /nfs/dbraw/zinc/28/30/57/554283057.db2.gz ATRHWNBOMNGNKV-QGZVFWFLSA-N -1 1 372.487 2.388 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1 ZINC000509073731 561783832 /nfs/dbraw/zinc/78/38/32/561783832.db2.gz CXKSAAAMXKQLGW-UHFFFAOYSA-N -1 1 352.437 2.140 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cnc2ccccc2c1 ZINC000509090010 561784384 /nfs/dbraw/zinc/78/43/84/561784384.db2.gz QCFAREGHSZDJDV-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM C[C@H]1[C@H](C)N(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)CCN1C ZINC000331659314 554303236 /nfs/dbraw/zinc/30/32/36/554303236.db2.gz MGODTTRCCUWQIJ-RYUDHWBXSA-N -1 1 363.462 2.824 20 0 FEADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000331846277 554329432 /nfs/dbraw/zinc/32/94/32/554329432.db2.gz CDUBQCBMMQBCEU-NSHDSACASA-N -1 1 365.890 2.301 20 0 FEADMM O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509294615 561794021 /nfs/dbraw/zinc/79/40/21/561794021.db2.gz CODBCIDTGLNXOL-AWEZNQCLSA-N -1 1 373.409 2.353 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1 ZINC000509392644 561797463 /nfs/dbraw/zinc/79/74/63/561797463.db2.gz SCMJTTCGNWSCRR-UHFFFAOYSA-N -1 1 361.423 2.035 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO ZINC000509435806 561799752 /nfs/dbraw/zinc/79/97/52/561799752.db2.gz IYGKSOVEGOVYDP-SFYZADRCSA-N -1 1 370.254 2.075 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c[nH]1 ZINC000509611843 561807409 /nfs/dbraw/zinc/80/74/09/561807409.db2.gz UWICZSCJMBXMFW-UHFFFAOYSA-N -1 1 364.301 2.455 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C ZINC000332255809 554411466 /nfs/dbraw/zinc/41/14/66/554411466.db2.gz TZWJTNNUCAUQMG-JTQLQIEISA-N -1 1 362.455 2.379 20 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/nfs/dbraw/zinc/46/29/72/554462972.db2.gz MOCNCUFVTLQXML-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM COc1cc(C(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)cc(Cl)c1[O-] ZINC000333209643 554589343 /nfs/dbraw/zinc/58/93/43/554589343.db2.gz BGIJLKYCQBRPJY-APPDUMDISA-N -1 1 355.818 2.464 20 0 FEADMM Cc1nnc([C@@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)[nH]1 ZINC000333996731 554666307 /nfs/dbraw/zinc/66/63/07/554666307.db2.gz OGJMZQBHJKJOOO-SECBINFHSA-N -1 1 351.204 2.211 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)c1Br ZINC000611774822 554679307 /nfs/dbraw/zinc/67/93/07/554679307.db2.gz UPWMSCLHVAWGMN-KKZNHRDASA-N -1 1 369.263 2.368 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000612053323 554726847 /nfs/dbraw/zinc/72/68/47/554726847.db2.gz YZWFKXCAUOSKNH-UHFFFAOYSA-N -1 1 371.372 2.482 20 0 FEADMM Cc1cc(NC(=O)CNC(=O)c2ncccc2[O-])c2cccnc2c1C ZINC000511089353 561856515 /nfs/dbraw/zinc/85/65/15/561856515.db2.gz GENGSRFFPMGPOH-UHFFFAOYSA-N -1 1 350.378 2.321 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(C[C@H]3CCCO3)no2)o1 ZINC000349834070 554744954 /nfs/dbraw/zinc/74/49/54/554744954.db2.gz BYGJMNKLDMDDND-SNVBAGLBSA-N -1 1 355.416 2.128 20 0 FEADMM COc1cccnc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000511121196 561858058 /nfs/dbraw/zinc/85/80/58/561858058.db2.gz NCOKRJREHPDURZ-UHFFFAOYSA-N -1 1 367.427 2.037 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@H]2CCOC[C@H]2C)no1 ZINC000350594796 554800883 /nfs/dbraw/zinc/80/08/83/554800883.db2.gz MDWIAIFMKLAMFF-VWYCJHECSA-N -1 1 357.457 2.311 20 0 FEADMM CS(=O)(=O)NCc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000350817906 554815721 /nfs/dbraw/zinc/81/57/21/554815721.db2.gz UKMOURNMFQCHLN-UHFFFAOYSA-N -1 1 369.786 2.405 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000362272281 554959484 /nfs/dbraw/zinc/95/94/84/554959484.db2.gz DBQZWAIBGIBXQN-DOTOQJQBSA-N -1 1 370.453 2.415 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2)n[nH]1 ZINC000511885174 561884050 /nfs/dbraw/zinc/88/40/50/561884050.db2.gz OWBIOESHPUJSLR-UHFFFAOYSA-N -1 1 371.378 2.428 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C)c2=O ZINC000512020260 561889388 /nfs/dbraw/zinc/88/93/88/561889388.db2.gz PPCNSHCKGKDBJY-ZDUSSCGKSA-N -1 1 360.414 2.010 20 0 FEADMM CCc1nocc1CN(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000512114750 561892873 /nfs/dbraw/zinc/89/28/73/561892873.db2.gz QKRQJYPPPSAZPN-UHFFFAOYSA-N -1 1 367.409 2.304 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc(C(=O)[O-])c1C ZINC000364117587 555252896 /nfs/dbraw/zinc/25/28/96/555252896.db2.gz AEYJMDWHGCRLJB-AWEZNQCLSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000364450739 555316024 /nfs/dbraw/zinc/31/60/24/555316024.db2.gz YMTHZUZETSDNQR-INIZCTEOSA-N -1 1 372.469 2.402 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000512437488 561904972 /nfs/dbraw/zinc/90/49/72/561904972.db2.gz SZWUNKJROWSGOE-USXIJHARSA-N -1 1 369.483 2.068 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ZINC000365526741 555599823 /nfs/dbraw/zinc/59/98/23/555599823.db2.gz WLOZNSRJAGAIKO-UONOGXRCSA-N -1 1 366.414 2.393 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@@H]2C2CC2)cc1[N-]S(C)(=O)=O ZINC000365802245 555670586 /nfs/dbraw/zinc/67/05/86/555670586.db2.gz BFBKELNJYIHBAW-CQSZACIVSA-N -1 1 353.444 2.473 20 0 FEADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H](C)CO ZINC000513445139 561938690 /nfs/dbraw/zinc/93/86/90/561938690.db2.gz WBWWESRXFSJDBB-AWEZNQCLSA-N -1 1 362.451 2.330 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000365990215 555719900 /nfs/dbraw/zinc/71/99/00/555719900.db2.gz TUHLXIUYTQBOFZ-LBPRGKRZSA-N -1 1 368.368 2.141 20 0 FEADMM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(C)C ZINC000513850432 561952517 /nfs/dbraw/zinc/95/25/17/561952517.db2.gz URYINIQWRLMMRR-STQMWFEESA-N -1 1 359.444 2.328 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](CO)CC1CCCC1 ZINC000513926959 561955025 /nfs/dbraw/zinc/95/50/25/561955025.db2.gz AKTBFVOOYBMLTO-MRXNPFEDSA-N 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561988665 /nfs/dbraw/zinc/98/86/65/561988665.db2.gz KTEGLPHDWKEMPI-MFKMUULPSA-N -1 1 368.231 2.389 20 0 FEADMM C[C@H](O[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1 ZINC000367758857 556131742 /nfs/dbraw/zinc/13/17/42/556131742.db2.gz RRDGRYIJQKMNRG-JCKWVBRZSA-N -1 1 356.426 2.139 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000367772094 556135360 /nfs/dbraw/zinc/13/53/60/556135360.db2.gz XMUQUUGWRQBOPV-MRXNPFEDSA-N -1 1 365.437 2.080 20 0 FEADMM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1c(F)ccc([O-])c1F ZINC000514891714 561985325 /nfs/dbraw/zinc/98/53/25/561985325.db2.gz WPKOAMPBUBQCBF-SNVBAGLBSA-N -1 1 359.332 2.199 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000367823046 556147683 /nfs/dbraw/zinc/14/76/83/556147683.db2.gz UEYQBJDSQJLLRW-AWEZNQCLSA-N -1 1 353.353 2.356 20 0 FEADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000367875685 556161799 /nfs/dbraw/zinc/16/17/99/556161799.db2.gz AUDDECWICKGLNP-SECBINFHSA-N -1 1 351.790 2.237 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2OC[C@H]3CCC[C@H]23)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000368187050 556242628 /nfs/dbraw/zinc/24/26/28/556242628.db2.gz VQTUVDUPNMMRSQ-KYTCRMMBSA-N -1 1 362.392 2.106 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCCCN1C1CC1)c1ccc(Br)o1 ZINC000515280875 562003084 /nfs/dbraw/zinc/00/30/84/562003084.db2.gz XFXRVZPKNADZPD-LLVKDONJSA-N -1 1 363.277 2.337 20 0 FEADMM O=C(CCc1ccncc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368500592 556327699 /nfs/dbraw/zinc/32/76/99/556327699.db2.gz CYKPGXBPRKWYIW-OAHLLOKOSA-N -1 1 360.780 2.226 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)c1 ZINC000515410029 562009575 /nfs/dbraw/zinc/00/95/75/562009575.db2.gz OIYKUQOHGUBVFZ-UHFFFAOYSA-N -1 1 365.407 2.220 20 0 FEADMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000515696423 562019624 /nfs/dbraw/zinc/01/96/24/562019624.db2.gz NKCGMRQSYNFVSL-CYBMUJFWSA-N -1 1 366.439 2.420 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NCc2ccc(F)c(CN(C)C)c2)s[n-]1 ZINC000515712358 562020134 /nfs/dbraw/zinc/02/01/34/562020134.db2.gz FLJPOJYJLMGIPB-JTQLQIEISA-N -1 1 367.450 2.190 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369452929 556603944 /nfs/dbraw/zinc/60/39/44/556603944.db2.gz RILQXUJVKMPBPT-OLZOCXBDSA-N -1 1 351.472 2.491 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCCO[C@@H](C)C2)c([O-])c1 ZINC000369583318 556639169 /nfs/dbraw/zinc/63/91/69/556639169.db2.gz UBDJGHGSBMLNOK-NSHDSACASA-N -1 1 359.382 2.192 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]4CCCCN4C3=O)nc2)[n-]c(=O)c1C ZINC000516257107 562037645 /nfs/dbraw/zinc/03/76/45/562037645.db2.gz UNZSQFVCYDQIMO-HUUCEWRRSA-N -1 1 353.426 2.426 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(N3CCCC3)nc2)[n-]c1=O ZINC000516379745 562041401 /nfs/dbraw/zinc/04/14/01/562041401.db2.gz PUGDNNPODRQDSV-WQLSENKSSA-N -1 1 355.398 2.310 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000370015177 556758138 /nfs/dbraw/zinc/75/81/38/556758138.db2.gz BMECMHBUDSCPJX-AWEZNQCLSA-N -1 1 374.485 2.405 20 0 FEADMM CCCc1nc(=NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)s[n-]1 ZINC000516514998 562045693 /nfs/dbraw/zinc/04/56/93/562045693.db2.gz HALWNFPJFUFMDF-CYBMUJFWSA-N -1 1 351.451 2.476 20 0 FEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)C2CC2)no1 ZINC000516616640 562050893 /nfs/dbraw/zinc/05/08/93/562050893.db2.gz AMZYCAIQGUZEJV-INIZCTEOSA-N -1 1 368.459 2.408 20 0 FEADMM CC(=O)N1Cc2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cc2C1 ZINC000370273405 556826938 /nfs/dbraw/zinc/82/69/38/556826938.db2.gz VQTVXCFIYMHPDI-UHFFFAOYSA-N -1 1 366.420 2.109 20 0 FEADMM O=C([O-])c1cccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1 ZINC000516926998 562065418 /nfs/dbraw/zinc/06/54/18/562065418.db2.gz RHEIRKDISAFJGJ-UHFFFAOYSA-N -1 1 360.454 2.397 20 0 FEADMM CC(C)COc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370848931 556989414 /nfs/dbraw/zinc/98/94/14/556989414.db2.gz BRPBNHAMUZMMCZ-INIZCTEOSA-N -1 1 373.457 2.112 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370855061 556991903 /nfs/dbraw/zinc/99/19/03/556991903.db2.gz HTDZSDOEDARIBT-UMNHJUIQSA-N -1 1 368.224 2.210 20 0 FEADMM CC(=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(C(F)(F)F)cc1 ZINC000370869762 556997135 /nfs/dbraw/zinc/99/71/35/556997135.db2.gz SAJCQPSYCMWYNV-AORWBKJGSA-N -1 1 367.331 2.222 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCCOCc3ccc(Cl)cc3)ccnc1-2 ZINC000806485965 674378852 /nfs/dbraw/zinc/37/88/52/674378852.db2.gz GLRSLAKVCQMXGB-UHFFFAOYSA-N -1 1 359.817 2.334 20 0 FEADMM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCCN3CC[C@@H](O)C3)s2)c1 ZINC000626508416 557099500 /nfs/dbraw/zinc/09/95/00/557099500.db2.gz ORALUHXCOCEGQF-CQSZACIVSA-N -1 1 361.471 2.010 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000371267532 557124877 /nfs/dbraw/zinc/12/48/77/557124877.db2.gz YWQNSCBMOOITIU-AEFFLSMTSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000371267533 557124932 /nfs/dbraw/zinc/12/49/32/557124932.db2.gz YWQNSCBMOOITIU-FUHWJXTLSA-N -1 1 368.437 2.169 20 0 FEADMM CC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000371887374 557320446 /nfs/dbraw/zinc/32/04/46/557320446.db2.gz FYPPZJHJEAFLJW-RHSMWYFYSA-N -1 1 356.422 2.037 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000518769238 562117936 /nfs/dbraw/zinc/11/79/36/562117936.db2.gz IIVFONBOPPVAQJ-TZMCWYRMSA-N -1 1 374.416 2.301 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](COC(C)C)C1 ZINC000372177824 557400811 /nfs/dbraw/zinc/40/08/11/557400811.db2.gz FGTBYMNENLVLOI-ZDUSSCGKSA-N -1 1 351.447 2.054 20 0 FEADMM CC(C)OC[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCO1 ZINC000372188779 557403505 /nfs/dbraw/zinc/40/35/05/557403505.db2.gz TYNSRBAHIIROSC-LBPRGKRZSA-N -1 1 358.232 2.421 20 0 FEADMM CN1CCC[C@]2(CCN(C(=O)c3cc(Br)ccc3[O-])C2)C1=O ZINC000372544173 557499593 /nfs/dbraw/zinc/49/95/93/557499593.db2.gz GCKJRIWTSDCKKA-MRXNPFEDSA-N -1 1 367.243 2.239 20 0 FEADMM Cc1ccccc1C1(O)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000372635188 557526344 /nfs/dbraw/zinc/52/63/44/557526344.db2.gz KKUSEMPLPFFNTC-UHFFFAOYSA-N -1 1 363.417 2.355 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)cc1C(=O)[O-] ZINC000373088450 557625846 /nfs/dbraw/zinc/62/58/46/557625846.db2.gz QFQUVHPDHNEMIQ-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1 ZINC000373269490 557662625 /nfs/dbraw/zinc/66/26/25/557662625.db2.gz GSJKFRUTRINGCO-RKDXNWHRSA-N -1 1 372.855 2.497 20 0 FEADMM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(-n2cccc2C(=O)[O-])c(C)c1 ZINC000520360381 562154293 /nfs/dbraw/zinc/15/42/93/562154293.db2.gz MNMGXHUPZOGIOA-UHFFFAOYSA-N -1 1 360.395 2.316 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000374549433 557898277 /nfs/dbraw/zinc/89/82/77/557898277.db2.gz OIIVUBYMAXBZNH-IBGZPJMESA-N -1 1 371.393 2.194 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)nc2)c(C)c1 ZINC000521361104 562174975 /nfs/dbraw/zinc/17/49/75/562174975.db2.gz LOFQLALMBFRVKO-UHFFFAOYSA-N -1 1 363.439 2.491 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000376186582 558138278 /nfs/dbraw/zinc/13/82/78/558138278.db2.gz IACYXFQHGDTGKE-CABCVRRESA-N -1 1 373.478 2.451 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000376323541 558157915 /nfs/dbraw/zinc/15/79/15/558157915.db2.gz QLRZNCPUSKTTDA-PRHODGIISA-N -1 1 359.810 2.322 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CC[C@H](n4cc5ccccc5n4)C3)ccnc1-2 ZINC000376607227 558196883 /nfs/dbraw/zinc/19/68/83/558196883.db2.gz VSUYWBMRQJCHIY-KTNMXJNISA-N -1 1 361.409 2.170 20 0 FEADMM Cc1nc2c(s1)CCC[C@H]2CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000376639363 558201629 /nfs/dbraw/zinc/20/16/29/558201629.db2.gz DUWAGOWFMMGKRS-DNTBYYJFSA-N -1 1 356.455 2.348 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)ccnc1-2 ZINC000376668458 558205749 /nfs/dbraw/zinc/20/57/49/558205749.db2.gz YUROHJBPCQMWHF-QCNLYOKXSA-N -1 1 372.379 2.020 20 0 FEADMM O=C(N=c1nc2ccccn2[n-]1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000376926192 558240402 /nfs/dbraw/zinc/24/04/02/558240402.db2.gz IFDPSADXUKARIN-AWEZNQCLSA-N -1 1 374.408 2.883 20 0 FEADMM O=C(N=c1nc2ccccn2[n-]1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000376926192 558240403 /nfs/dbraw/zinc/24/04/03/558240403.db2.gz IFDPSADXUKARIN-AWEZNQCLSA-N -1 1 374.408 2.883 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)c1ccc(F)cc1 ZINC000522125322 562192073 /nfs/dbraw/zinc/19/20/73/562192073.db2.gz WDXHRLPZPJKAGL-UHFFFAOYSA-N -1 1 353.357 2.292 20 0 FEADMM Cc1ccc([C@H](C)NC(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1C ZINC000377527665 558358037 /nfs/dbraw/zinc/35/80/37/558358037.db2.gz JZLFECKYCSDTOU-AWEZNQCLSA-N -1 1 357.458 2.184 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000377738571 558408969 /nfs/dbraw/zinc/40/89/69/558408969.db2.gz CRCHCJZJCCLJTG-UHFFFAOYSA-N -1 1 368.441 2.114 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CC[C@@]4(C3)CCc3ccccc3O4)ccnc1-2 ZINC000377859442 558436343 /nfs/dbraw/zinc/43/63/43/558436343.db2.gz HKJDDQXAHHHSQM-OGTCDWKQSA-N -1 1 363.421 2.343 20 0 FEADMM COCCn1ncc2c1[C@@H](NC(=O)c1c(F)ccc([O-])c1F)CCC2 ZINC000377863099 558437257 /nfs/dbraw/zinc/43/72/57/558437257.db2.gz CCMITFQUUOSILW-LBPRGKRZSA-N -1 1 351.353 2.321 20 0 FEADMM COC[C@@]1(CN=c2[n-]c(C(=O)OC)c(C)s2)OCCc2ccccc21 ZINC000378049681 558469928 /nfs/dbraw/zinc/46/99/28/558469928.db2.gz ALAWDWNHPTWRPT-GOSISDBHSA-N -1 1 362.451 2.765 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2ncon2)c(=O)[n-]1 ZINC000523143059 562208948 /nfs/dbraw/zinc/20/89/48/562208948.db2.gz MOELAPZVWISASN-GFCCVEGCSA-N -1 1 363.443 2.282 20 0 FEADMM CC(C)(C(N)=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000523530229 562214764 /nfs/dbraw/zinc/21/47/64/562214764.db2.gz HONLDPZQJKHQAV-UHFFFAOYSA-N -1 1 368.436 2.010 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000378381635 558544634 /nfs/dbraw/zinc/54/46/34/558544634.db2.gz VXRRCDSIKRPKBD-BBRMVZONSA-N -1 1 365.407 2.122 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1)c2=O ZINC000378571676 558585962 /nfs/dbraw/zinc/58/59/62/558585962.db2.gz QVGDANKHNQQVQI-BBRMVZONSA-N -1 1 352.394 2.182 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2n[nH]cc2Br)c1 ZINC000385672252 558606773 /nfs/dbraw/zinc/60/67/73/558606773.db2.gz JTEPQCUPYQSOEB-UHFFFAOYSA-N -1 1 374.216 2.068 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(C)(C)O ZINC000394016313 558621917 /nfs/dbraw/zinc/62/19/17/558621917.db2.gz MFWXBAVJASORKU-LLVKDONJSA-N -1 1 363.195 2.276 20 0 FEADMM CC(C)[C@@](C)(CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000398508760 558626769 /nfs/dbraw/zinc/62/67/69/558626769.db2.gz LQIWVMCKQMTCSD-CYBMUJFWSA-N -1 1 363.195 2.134 20 0 FEADMM CN(C[C@@H]1CCOC1)C(=O)c1ccc(I)c([O-])c1 ZINC000398977669 558627516 /nfs/dbraw/zinc/62/75/16/558627516.db2.gz ZKCAUYGNVXCBDJ-VIFPVBQESA-N -1 1 361.179 2.105 20 0 FEADMM O=C(c1csc([C@@H]2CCCO2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408000326 558637135 /nfs/dbraw/zinc/63/71/35/558637135.db2.gz ZQRDADFKLSTBQF-ONGXEEELSA-N -1 1 350.400 2.103 20 0 FEADMM Cc1cc(C)n(Cc2cccc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2)n1 ZINC000524041074 562223273 /nfs/dbraw/zinc/22/32/73/562223273.db2.gz KCFLWXAMCGMYSY-UHFFFAOYSA-N -1 1 365.441 2.261 20 0 FEADMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000408403018 558673999 /nfs/dbraw/zinc/67/39/99/558673999.db2.gz KJWGUEUKYYHZST-SECBINFHSA-N -1 1 355.218 2.032 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000410281922 558749884 /nfs/dbraw/zinc/74/98/84/558749884.db2.gz MXBQQEDWLDQPEH-UHFFFAOYSA-N -1 1 369.812 3.045 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000410297383 558750188 /nfs/dbraw/zinc/75/01/88/558750188.db2.gz AGCDVXOZKRTJNO-LBPRGKRZSA-N -1 1 352.394 2.637 20 0 FEADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(=O)[nH]n2)s1 ZINC000410341495 558752323 /nfs/dbraw/zinc/75/23/23/558752323.db2.gz WJSLWJXLNHWZFQ-UHFFFAOYSA-N -1 1 350.219 2.115 20 0 FEADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410378882 558754130 /nfs/dbraw/zinc/75/41/30/558754130.db2.gz NTSQBXMKZAYUTL-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM O=C1CCN1c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000410414837 558756041 /nfs/dbraw/zinc/75/60/41/558756041.db2.gz CIEWLXLEEKDHEO-UHFFFAOYSA-N -1 1 359.363 2.071 20 0 FEADMM COc1cc(NC(=O)NCc2cnc(C)s2)ccc1[N-]S(C)(=O)=O ZINC000525414545 562247864 /nfs/dbraw/zinc/24/78/64/562247864.db2.gz DOBAGZMBSJUIAM-UHFFFAOYSA-N -1 1 370.456 2.153 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1C ZINC000525870693 562257932 /nfs/dbraw/zinc/25/79/32/562257932.db2.gz UVOCLNOOILHOOY-UHFFFAOYSA-N -1 1 374.466 2.307 20 0 FEADMM CC(C)[C@@H]1C[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000412423477 559034583 /nfs/dbraw/zinc/03/45/83/559034583.db2.gz SZNQZTMVIPNERF-JOYOIKCWSA-N -1 1 365.282 2.432 20 0 FEADMM CN(C)C(=O)c1ccc(=NCCc2cn(C)c3cc(Cl)ccc23)[n-]n1 ZINC000413248132 559091667 /nfs/dbraw/zinc/09/16/67/559091667.db2.gz NIFZTKQCRHIAKL-UHFFFAOYSA-N -1 1 357.845 2.978 20 0 FEADMM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2cccn2C)cc1 ZINC000414368154 559158825 /nfs/dbraw/zinc/15/88/25/559158825.db2.gz BYTPZIUJXDRTDZ-UHFFFAOYSA-N -1 1 352.412 2.158 20 0 FEADMM CC(C)(CO)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1 ZINC000414407958 559162238 /nfs/dbraw/zinc/16/22/38/559162238.db2.gz XXHDHURVPZRHMP-AWEZNQCLSA-N -1 1 357.435 2.474 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)n(-c2ccncc2)n1 ZINC000414448127 559164376 /nfs/dbraw/zinc/16/43/76/559164376.db2.gz YZNNHWMTTSXSPM-UHFFFAOYSA-N -1 1 360.443 2.233 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)cc1 ZINC000414463860 559165932 /nfs/dbraw/zinc/16/59/32/559165932.db2.gz WWVYYJKDFKZAQY-UHFFFAOYSA-N -1 1 364.423 2.359 20 0 FEADMM C[C@H](CN(C)C(=O)NCc1nc2cccc(Br)c2[nH]1)C(=O)[O-] ZINC000414604833 559174780 /nfs/dbraw/zinc/17/47/80/559174780.db2.gz BIXKYDQUWRLJGE-MRVPVSSYSA-N -1 1 369.219 2.188 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccccc2OC(F)(F)F)C1=O ZINC000414654675 559177480 /nfs/dbraw/zinc/17/74/80/559177480.db2.gz ITEPFPZOKXIWOA-OCCSQVGLSA-N -1 1 374.359 2.385 20 0 FEADMM Cc1cccc(-c2n[nH]cc2CN[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000414665588 559178328 /nfs/dbraw/zinc/17/83/28/559178328.db2.gz UQBACFMSWKHNIM-WMZOPIPTSA-N -1 1 370.453 2.185 20 0 FEADMM CC(=O)NCCN(Cc1cn(-c2ccccc2)nc1C(C)C)[C@H](C)C(=O)[O-] ZINC000414674075 559178809 /nfs/dbraw/zinc/17/88/09/559178809.db2.gz FAGGOKCPQUXOOT-OAHLLOKOSA-N -1 1 372.469 2.407 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)[n-]1 ZINC000415645368 559257832 /nfs/dbraw/zinc/25/78/32/559257832.db2.gz HYGZWZHOIJXWGI-NSHDSACASA-N -1 1 353.382 2.347 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)n1 ZINC000415645368 559257833 /nfs/dbraw/zinc/25/78/33/559257833.db2.gz HYGZWZHOIJXWGI-NSHDSACASA-N -1 1 353.382 2.347 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000416159693 559295390 /nfs/dbraw/zinc/29/53/90/559295390.db2.gz NFKCLTLMEVVPPL-UHFFFAOYSA-N -1 1 361.373 2.130 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)nc2)cc1C ZINC000416423336 559312152 /nfs/dbraw/zinc/31/21/52/559312152.db2.gz UKBXCQHXAUATTK-UHFFFAOYSA-N -1 1 363.439 2.491 20 0 FEADMM C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416621283 559325751 /nfs/dbraw/zinc/32/57/51/559325751.db2.gz SZXSEKJABBWCTC-SNVBAGLBSA-N -1 1 364.464 2.006 20 0 FEADMM NC(=O)CC1(CN=c2[n-]c(C(F)(F)F)c(Br)s2)CC1 ZINC000420610087 559493894 /nfs/dbraw/zinc/49/38/94/559493894.db2.gz MALBYOABMUEWFT-UHFFFAOYSA-N -1 1 358.183 2.992 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1cc(C)cc(C)c1 ZINC000420683005 559497620 /nfs/dbraw/zinc/49/76/20/559497620.db2.gz BJGOPCNVHSLOHA-DLBZAZTESA-N -1 1 371.499 2.498 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000420718433 559500269 /nfs/dbraw/zinc/50/02/69/559500269.db2.gz ODXJYUXBTXWTHB-SCZZXKLOSA-N -1 1 358.872 2.487 20 0 FEADMM Cn1[n-]c(CN2CCC[C@H]2Cc2ccccc2Br)nc1=O ZINC000420958969 559514369 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COC(=O)c1ccc([O-])c(NC(=O)Cc2nnn(-c3ccccc3)c2C)c1 ZINC000436504426 559943526 /nfs/dbraw/zinc/94/35/26/559943526.db2.gz JOSLQEVKNAAKPS-UHFFFAOYSA-N -1 1 366.377 2.249 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ncn(C)n3)cc2)c1 ZINC000436517384 559944010 /nfs/dbraw/zinc/94/40/10/559944010.db2.gz ZILWMYQESNPRPO-UHFFFAOYSA-N -1 1 352.350 2.227 20 0 FEADMM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436549556 559945071 /nfs/dbraw/zinc/94/50/71/559945071.db2.gz XMSWYJOROUXJDK-LBPRGKRZSA-N -1 1 372.874 2.438 20 0 FEADMM COc1ccc(C[C@@](C)(O)CNC(=O)c2cc(F)ccc2[O-])cc1OC ZINC000436603032 559946430 /nfs/dbraw/zinc/94/64/30/559946430.db2.gz LETZJRHBVDYRDY-LJQANCHMSA-N -1 1 363.385 2.272 20 0 FEADMM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436667806 559948239 /nfs/dbraw/zinc/94/82/39/559948239.db2.gz VQJPAHMFTCSJDK-OAHLLOKOSA-N -1 1 371.368 2.137 20 0 FEADMM O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000436676486 559948555 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Cn1c(C(=O)Nc2ccc(F)cc2[O-])cc2c1nc1ccccn1c2=O ZINC000439758803 559999699 /nfs/dbraw/zinc/99/96/99/559999699.db2.gz SFMKQTLIFUSWOQ-UHFFFAOYSA-N -1 1 352.325 2.283 20 0 FEADMM CCO[C@H](C)c1noc(CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])n1 ZINC000440305411 560008529 /nfs/dbraw/zinc/00/85/29/560008529.db2.gz PBZJPWTUNNJGDB-LLVKDONJSA-N -1 1 371.397 2.397 20 0 FEADMM CCO[C@H](C)c1noc(CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)n1 ZINC000440305411 560008530 /nfs/dbraw/zinc/00/85/30/560008530.db2.gz PBZJPWTUNNJGDB-LLVKDONJSA-N -1 1 371.397 2.397 20 0 FEADMM COc1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc(Cl)c1[O-] ZINC000442964508 560064094 /nfs/dbraw/zinc/06/40/94/560064094.db2.gz ILXPACXZTDFBON-UHFFFAOYSA-N -1 1 359.773 2.164 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccncc1OCC(F)F ZINC000442985720 560065209 /nfs/dbraw/zinc/06/52/09/560065209.db2.gz XUVFPIHABPPGNR-UHFFFAOYSA-N -1 1 370.381 2.181 20 0 FEADMM CCOC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CCCOC1 ZINC000443111997 560071160 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O=C1NC2(CCC2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445888798 560136312 /nfs/dbraw/zinc/13/63/12/560136312.db2.gz WWQUWKBXJDLGBT-UHFFFAOYSA-N -1 1 371.418 2.466 20 0 FEADMM COc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000446330290 560144493 /nfs/dbraw/zinc/14/44/93/560144493.db2.gz HKOUBNAFQGLCMG-SRVKXCTJSA-N -1 1 371.459 2.096 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)cc1 ZINC000447265250 560158998 /nfs/dbraw/zinc/15/89/98/560158998.db2.gz PTXYZTBTMDCVEM-UHFFFAOYSA-N -1 1 371.418 2.298 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000447264932 560159007 /nfs/dbraw/zinc/15/90/07/560159007.db2.gz OCPDXYPJAUUJFC-UHFFFAOYSA-N -1 1 374.422 2.585 20 0 FEADMM O=S(=O)(CCc1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)n[n-]1 ZINC000447480387 560162949 /nfs/dbraw/zinc/16/29/49/560162949.db2.gz LAKNHWADIHCPIS-UHFFFAOYSA-N -1 1 371.418 2.259 20 0 FEADMM O=S(=O)(CCc1ccccc1)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000447480387 560162950 /nfs/dbraw/zinc/16/29/50/560162950.db2.gz LAKNHWADIHCPIS-UHFFFAOYSA-N -1 1 371.418 2.259 20 0 FEADMM CCN(CC)C(=O)[C@@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447496663 560163227 /nfs/dbraw/zinc/16/32/27/560163227.db2.gz GYYUUHOMDIAEPC-LLVKDONJSA-N -1 1 353.419 2.246 20 0 FEADMM CCN(CC)C(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447496663 560163228 /nfs/dbraw/zinc/16/32/28/560163228.db2.gz GYYUUHOMDIAEPC-LLVKDONJSA-N -1 1 353.419 2.246 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000447584748 560164883 /nfs/dbraw/zinc/16/48/83/560164883.db2.gz HBJXJADTPGUUTG-UHFFFAOYSA-N -1 1 358.308 2.084 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC3CCOCC3)c2)n1 ZINC000447672254 560166292 /nfs/dbraw/zinc/16/62/92/560166292.db2.gz PFMJIKQQVPAPQG-UHFFFAOYSA-N -1 1 372.425 2.081 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cncc(F)c3)c2)n1 ZINC000447677207 560166698 /nfs/dbraw/zinc/16/66/98/560166698.db2.gz FDSZSYWIZMJVOL-UHFFFAOYSA-N -1 1 369.356 2.113 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CCO[C@H](C)C3)c2)n1 ZINC000447683156 560167002 /nfs/dbraw/zinc/16/70/02/560167002.db2.gz NNYSRFJDTNVVHE-IUODEOHRSA-N -1 1 372.425 2.080 20 0 FEADMM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1cc(F)ccc1F ZINC000447851459 560171112 /nfs/dbraw/zinc/17/11/12/560171112.db2.gz RRRJRCYANWQYEH-UHFFFAOYSA-N -1 1 350.293 2.440 20 0 FEADMM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000448491775 560188171 /nfs/dbraw/zinc/18/81/71/560188171.db2.gz WOEXAADDSSVWDR-UHFFFAOYSA-N -1 1 368.324 2.881 20 0 FEADMM COc1ccc(NC(=O)c2conc2C(C)C)cc1[N-]S(C)(=O)=O ZINC000527824785 562305379 /nfs/dbraw/zinc/30/53/79/562305379.db2.gz ZTDRQRSDDMLWGR-UHFFFAOYSA-N -1 1 353.400 2.430 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)OCCc1ccccc1 ZINC000449891319 560244386 /nfs/dbraw/zinc/24/43/86/560244386.db2.gz JZNUPRRWAWGZMR-OAHLLOKOSA-N -1 1 368.437 2.316 20 0 FEADMM CC(C)(C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C(C)(F)F ZINC000449925209 560245427 /nfs/dbraw/zinc/24/54/27/560245427.db2.gz SBFFXRGSCGWTIX-UHFFFAOYSA-N -1 1 362.398 2.453 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2ccnc(OC(F)F)c2)c1Br ZINC000450014487 560248080 /nfs/dbraw/zinc/24/80/80/560248080.db2.gz BOTNTZVEGHDXER-UHFFFAOYSA-N -1 1 361.146 2.983 20 0 FEADMM O=S(=O)([N-][C@H]1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl ZINC000450957553 560279958 /nfs/dbraw/zinc/27/99/58/560279958.db2.gz LDTVSSKTNGCUQB-QMMMGPOBSA-N -1 1 365.885 2.020 20 0 FEADMM CC(=O)NC1CCC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000451155632 560290269 /nfs/dbraw/zinc/29/02/69/560290269.db2.gz PJHZKIQKAIIGHA-UHFFFAOYSA-N -1 1 354.403 2.298 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000451351556 560302011 /nfs/dbraw/zinc/30/20/11/560302011.db2.gz FQZMVGVJXMQOSV-HACHORDNSA-N -1 1 367.336 2.224 20 0 FEADMM C[C@@H]1[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCCN1C ZINC000451395193 560304279 /nfs/dbraw/zinc/30/42/79/560304279.db2.gz PWBUAKJLBCUNSQ-MWLCHTKSSA-N -1 1 352.378 2.172 20 0 FEADMM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000451787242 560328369 /nfs/dbraw/zinc/32/83/69/560328369.db2.gz IPHDVNLSTZBFNM-SCZZXKLOSA-N -1 1 372.245 2.462 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H](C)O ZINC000451896379 560335633 /nfs/dbraw/zinc/33/56/33/560335633.db2.gz SBELEBBAVZNACF-LDWIPMOCSA-N -1 1 358.204 2.165 20 0 FEADMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1sccc1Br ZINC000451973052 560341527 /nfs/dbraw/zinc/34/15/27/560341527.db2.gz WMLMOMBMHPZOOP-MRVPVSSYSA-N -1 1 364.290 2.154 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc3n2CCCC3)o1 ZINC000452336321 560358389 /nfs/dbraw/zinc/35/83/89/560358389.db2.gz VBXVFKASVZYOPO-UHFFFAOYSA-N -1 1 366.443 2.142 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000453014772 560381163 /nfs/dbraw/zinc/38/11/63/560381163.db2.gz WQGHUNYXLRXZIY-ZKYQVNSYSA-N -1 1 370.243 2.157 20 0 FEADMM CC[C@@H](C)[C@@H](CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)OC ZINC000454773884 560457833 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O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000460282840 560740730 /nfs/dbraw/zinc/74/07/30/560740730.db2.gz RPMVUZXTGRNEEH-UHFFFAOYSA-N -1 1 374.404 2.325 20 0 FEADMM CCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000460441925 560743753 /nfs/dbraw/zinc/74/37/53/560743753.db2.gz BXNKCGFQVUNKHV-LLVKDONJSA-N -1 1 360.439 2.484 20 0 FEADMM CO[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000460578717 560746474 /nfs/dbraw/zinc/74/64/74/560746474.db2.gz BZOCTLCZSPKLQR-NEPJUHHUSA-N -1 1 358.460 2.044 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2NS(C)(=O)=O)cc1 ZINC000460842931 560753299 /nfs/dbraw/zinc/75/32/99/560753299.db2.gz ORLODKDYRVFYAE-UHFFFAOYSA-N -1 1 370.452 2.176 20 0 FEADMM CC(C)(NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000461638485 560778356 /nfs/dbraw/zinc/77/83/56/560778356.db2.gz ZKBBOXQLWVRIKH-QWRGUYRKSA-N -1 1 350.220 2.117 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000461455724 560772259 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CC(=O)c1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(F)c1 ZINC000461615897 560776898 /nfs/dbraw/zinc/77/68/98/560776898.db2.gz VECPXAIEXRLWRY-UHFFFAOYSA-N -1 1 357.341 2.177 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)n[n-]1 ZINC000461729243 560780724 /nfs/dbraw/zinc/78/07/24/560780724.db2.gz IZVGXDFWIUEMBI-VIFPVBQESA-N -1 1 356.835 2.130 20 0 FEADMM COC[C@@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000461796693 560784233 /nfs/dbraw/zinc/78/42/33/560784233.db2.gz NVFAOFPCBUFNIS-OLZOCXBDSA-N -1 1 370.471 2.034 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)o1 ZINC000462309862 560805281 /nfs/dbraw/zinc/80/52/81/560805281.db2.gz FCYUSVJICPPGQS-LLVKDONJSA-N -1 1 373.452 2.356 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(C(=O)OC)c2)o1 ZINC000462312762 560805390 /nfs/dbraw/zinc/80/53/90/560805390.db2.gz DMUNKRZCMLQJOZ-OAHLLOKOSA-N -1 1 367.423 2.295 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)c1 ZINC000465464555 560865637 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O=S(=O)([N-]CCN1CCC1)c1cc(Cl)c(Br)cc1F ZINC000471586137 561007874 /nfs/dbraw/zinc/00/78/74/561007874.db2.gz BGIZSYUZGRZUJN-UHFFFAOYSA-N -1 1 371.659 2.226 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC1CCCC1)c1ccc(OC)cc1OC ZINC000472626068 561031403 /nfs/dbraw/zinc/03/14/03/561031403.db2.gz MQSGGPICVBNNNR-MRXNPFEDSA-N -1 1 371.455 2.028 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cccc(C)c1C ZINC000472736615 561034033 /nfs/dbraw/zinc/03/40/33/561034033.db2.gz ICQCCTOGPYYRJN-DOTOQJQBSA-N -1 1 369.483 2.396 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000473285417 561046444 /nfs/dbraw/zinc/04/64/44/561046444.db2.gz WOOCEQUOBHIKLM-UHFFFAOYSA-N -1 1 351.362 2.416 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000473329880 561047682 /nfs/dbraw/zinc/04/76/82/561047682.db2.gz SBPLPBZZCUCZJX-NSHDSACASA-N -1 1 363.801 2.397 20 0 FEADMM CC[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000473658129 561055261 /nfs/dbraw/zinc/05/52/61/561055261.db2.gz GOIOZFPEXZZEKH-AEFFLSMTSA-N -1 1 355.438 2.197 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CC1 ZINC000473857414 561059499 /nfs/dbraw/zinc/05/94/99/561059499.db2.gz HABOPVNPYZUUPH-LLVKDONJSA-N -1 1 356.202 2.362 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C1CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000473863597 561059655 /nfs/dbraw/zinc/05/96/55/561059655.db2.gz HVZDXZVGOQBCIX-JTQLQIEISA-N -1 1 372.245 2.198 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1NC(N)=O ZINC000474297527 561070511 /nfs/dbraw/zinc/07/05/11/561070511.db2.gz NEBMSUSVGVITRZ-UHFFFAOYSA-N -1 1 363.395 2.189 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccc1Cn1cccn1 ZINC000474346042 561071875 /nfs/dbraw/zinc/07/18/75/561071875.db2.gz BCPCTWRJVYOJHV-UHFFFAOYSA-N -1 1 369.450 2.387 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000474440297 561074163 /nfs/dbraw/zinc/07/41/63/561074163.db2.gz XZCGDLOKRIHWJK-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC000474440297 561074164 /nfs/dbraw/zinc/07/41/64/561074164.db2.gz XZCGDLOKRIHWJK-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000474818651 561083666 /nfs/dbraw/zinc/08/36/66/561083666.db2.gz UICSFLPAANXNKA-RYUDHWBXSA-N -1 1 366.487 2.026 20 0 FEADMM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)CC1=O ZINC000475013079 561087674 /nfs/dbraw/zinc/08/76/74/561087674.db2.gz IDWGRCGPZOMVIG-STQMWFEESA-N -1 1 370.457 2.118 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000476054953 561110391 /nfs/dbraw/zinc/11/03/91/561110391.db2.gz YTQUQIHPCWCPAL-CQSZACIVSA-N -1 1 374.418 2.375 20 0 FEADMM C[C@H](Sc1ccc(Br)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477050738 561135345 /nfs/dbraw/zinc/13/53/45/561135345.db2.gz OAKWBSVAPRSDAY-QMMMGPOBSA-N -1 1 368.260 2.248 20 0 FEADMM O=C(c1ccc(-c2csnn2)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000529271616 562366887 /nfs/dbraw/zinc/36/68/87/562366887.db2.gz KNAWWGFRMLOWLP-UHFFFAOYSA-N -1 1 357.395 2.314 20 0 FEADMM COc1cccc([C@H]2CN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CC2(C)C)c1 ZINC000529727764 562383111 /nfs/dbraw/zinc/38/31/11/562383111.db2.gz KTDVODBTMOZOFA-CYBMUJFWSA-N -1 1 373.409 2.171 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000529948652 562392414 /nfs/dbraw/zinc/39/24/14/562392414.db2.gz BHEYXYRNIUPCQL-CYBMUJFWSA-N -1 1 354.410 2.081 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC(F)(F)C[C@H]1C ZINC000530014424 562394412 /nfs/dbraw/zinc/39/44/12/562394412.db2.gz QWQQCUUMOJIYGJ-SNVBAGLBSA-N -1 1 363.368 2.136 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530072790 562397020 /nfs/dbraw/zinc/39/70/20/562397020.db2.gz WKXXKEOYNTZWBJ-QZXWKGOOSA-N -1 1 358.257 2.280 20 0 FEADMM C[C@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000530205208 562402386 /nfs/dbraw/zinc/40/23/86/562402386.db2.gz DPRALEFOLLJMGF-OAHLLOKOSA-N -1 1 370.331 2.459 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)C[C@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000531340185 562442627 /nfs/dbraw/zinc/44/26/27/562442627.db2.gz FWAYUTLMXLJXCI-WCQYABFASA-N -1 1 371.459 2.146 20 0 FEADMM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1[O-] ZINC000531756417 562455598 /nfs/dbraw/zinc/45/55/98/562455598.db2.gz FQDAFQBBUWZTAX-UHFFFAOYSA-N -1 1 374.340 2.117 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccccn2)c1 ZINC000532063934 562465891 /nfs/dbraw/zinc/46/58/91/562465891.db2.gz HLUPJQVHLDJZRE-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM COCC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000532525636 562480228 /nfs/dbraw/zinc/48/02/28/562480228.db2.gz PQZCLWQJWZEDGW-UHFFFAOYSA-N -1 1 360.435 2.396 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000533179672 562500522 /nfs/dbraw/zinc/50/05/22/562500522.db2.gz ABZFULXSMAKFKO-GLQYFDAESA-N -1 1 369.439 2.082 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)Nc3cccc(CC(=O)[O-])c3)c2)CC1 ZINC000533195280 562501150 /nfs/dbraw/zinc/50/11/50/562501150.db2.gz CGGOZBLYNXTVIQ-UHFFFAOYSA-N -1 1 367.449 2.313 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(-c4ncco4)c3)cc2N1 ZINC000533581523 562513847 /nfs/dbraw/zinc/51/38/47/562513847.db2.gz IIVNGGZQCVNFIW-UHFFFAOYSA-N -1 1 371.374 2.473 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)N(CCC(N)=O)c2cccc(C)c2)c1 ZINC000533648773 562515374 /nfs/dbraw/zinc/51/53/74/562515374.db2.gz KDLFYJAHRDXGHU-UHFFFAOYSA-N -1 1 355.394 2.181 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)co1 ZINC000533693854 562516212 /nfs/dbraw/zinc/51/62/12/562516212.db2.gz NGLQIFOCBLAMNM-LBPRGKRZSA-N -1 1 368.377 2.429 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC2(CS(C)(=O)=O)CCOCC2)n1 ZINC000533769437 562517612 /nfs/dbraw/zinc/51/76/12/562517612.db2.gz HZAKNDYUWZRMJC-UHFFFAOYSA-N -1 1 360.501 2.068 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOC(C)C)c1ccc(Cl)c(F)c1 ZINC000533907899 562520986 /nfs/dbraw/zinc/52/09/86/562520986.db2.gz RBFOICKWBPANID-ZDUSSCGKSA-N -1 1 367.826 2.038 20 0 FEADMM COCc1nc(C)c(C(=O)[N-]c2nnc(CCCC(=O)OC)s2)s1 ZINC000533938520 562521687 /nfs/dbraw/zinc/52/16/87/562521687.db2.gz RBFNYDHHXCSVBM-UHFFFAOYSA-N -1 1 370.456 2.197 20 0 FEADMM CCC[C@H](NC(=O)c1cc(OCCOC)c2ccccc2n1)c1nn[n-]n1 ZINC000533991987 562523070 /nfs/dbraw/zinc/52/30/70/562523070.db2.gz QNSABTGCXLPVNB-AWEZNQCLSA-N -1 1 370.413 2.044 20 0 FEADMM COc1cc(NC(=O)N2CC[C@@H](C3CC3)C2)ccc1[N-]S(C)(=O)=O ZINC000534265945 562529052 /nfs/dbraw/zinc/52/90/52/562529052.db2.gz XFQGWGQEZIBTED-GFCCVEGCSA-N -1 1 353.444 2.331 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000535050411 562549614 /nfs/dbraw/zinc/54/96/14/562549614.db2.gz ZEDCIQGCJLPSAY-PTEHBNRSSA-N -1 1 371.459 2.144 20 0 FEADMM COc1ccc(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000535050412 562549682 /nfs/dbraw/zinc/54/96/82/562549682.db2.gz ZEDCIQGCJLPSAY-QWRGUYRKSA-N -1 1 371.459 2.144 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2)cc(C(=O)OC)c1 ZINC000535653767 562563413 /nfs/dbraw/zinc/56/34/13/562563413.db2.gz BOILKTPGZBHMBC-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM COCCN1C(=O)c2ccccc2N[C@@H]1c1n[nH]c2cc(C(=O)[O-])ccc21 ZINC000535736933 562566112 /nfs/dbraw/zinc/56/61/12/562566112.db2.gz UKSPHGYTQPYAMS-KRWDZBQOSA-N -1 1 366.377 2.474 20 0 FEADMM CC[C@@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000535973431 562571458 /nfs/dbraw/zinc/57/14/58/562571458.db2.gz DXVSOGNEPWDSPK-DOMZBBRYSA-N -1 1 371.459 2.146 20 0 FEADMM Cc1ccnc(OC2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)c1 ZINC000541073643 562602234 /nfs/dbraw/zinc/60/22/34/562602234.db2.gz GRGMYVLBSAOYGT-UHFFFAOYSA-N -1 1 364.405 2.310 20 0 FEADMM CCCc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1C1CCCC1 ZINC000541455257 562612394 /nfs/dbraw/zinc/61/23/94/562612394.db2.gz BTLRDFFYGJBYJG-CYBMUJFWSA-N -1 1 357.462 2.484 20 0 FEADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000541772527 562619707 /nfs/dbraw/zinc/61/97/07/562619707.db2.gz FATZJQPJASLEIB-LLVKDONJSA-N -1 1 355.309 2.472 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3c(F)cccc3F)no2)co1 ZINC000546319979 562636016 /nfs/dbraw/zinc/63/60/16/562636016.db2.gz GIDSGQQWIZMYCS-UHFFFAOYSA-N -1 1 355.322 2.107 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)Nc3ccc(CC(=O)[O-])cc3)cc12 ZINC000546539235 562637634 /nfs/dbraw/zinc/63/76/34/562637634.db2.gz WGISLTTXXSTLDC-UHFFFAOYSA-N -1 1 361.379 2.213 20 0 FEADMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549721688 562638407 /nfs/dbraw/zinc/63/84/07/562638407.db2.gz FYBWONIISPKSIJ-MRVPVSSYSA-N -1 1 353.391 2.410 20 0 FEADMM COc1ccc(-c2n[nH]cc2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000550100072 562642410 /nfs/dbraw/zinc/64/24/10/562642410.db2.gz HYCXMCFEAFVORE-UHFFFAOYSA-N -1 1 369.381 2.194 20 0 FEADMM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000601749345 567834857 /nfs/dbraw/zinc/83/48/57/567834857.db2.gz LXJUUYWRTXKTES-BMIGLBTASA-N -1 1 361.316 2.204 20 0 FEADMM CCOC(=O)[C@@]1(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)CCCOC1 ZINC000601860423 567854477 /nfs/dbraw/zinc/85/44/77/567854477.db2.gz OJZADGOEPCVMLR-QGZVFWFLSA-N -1 1 371.817 2.144 20 0 FEADMM Cc1noc(C)c1[C@@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000603696163 568135878 /nfs/dbraw/zinc/13/58/78/568135878.db2.gz MZHCNTLJYJQXNX-LLVKDONJSA-N -1 1 367.409 2.165 20 0 FEADMM CN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000669178776 568277282 /nfs/dbraw/zinc/27/72/82/568277282.db2.gz LEJLBMAAFUTVTH-LBPRGKRZSA-N -1 1 350.369 2.022 20 0 FEADMM CN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])[C@H]1CCCN(C)C1 ZINC000669178776 568277283 /nfs/dbraw/zinc/27/72/83/568277283.db2.gz LEJLBMAAFUTVTH-LBPRGKRZSA-N -1 1 350.369 2.022 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)c3nccn3C)cc2)c1 ZINC000604737840 568359033 /nfs/dbraw/zinc/35/90/33/568359033.db2.gz SALAOKVWFVTSCO-UHFFFAOYSA-N -1 1 371.418 2.461 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1csnn1 ZINC000738110439 598847739 /nfs/dbraw/zinc/84/77/39/598847739.db2.gz BXORNCQFXPGVSU-UHFFFAOYSA-N -1 1 369.435 2.377 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(Cl)cc1 ZINC000738297631 598856084 /nfs/dbraw/zinc/85/60/84/598856084.db2.gz SQHMHLIRNKGPTA-CYBMUJFWSA-N -1 1 355.789 2.133 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(Cl)cc1 ZINC000738297631 598856085 /nfs/dbraw/zinc/85/60/85/598856085.db2.gz SQHMHLIRNKGPTA-CYBMUJFWSA-N -1 1 355.789 2.133 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)C1CCCC1 ZINC000737198747 598866093 /nfs/dbraw/zinc/86/60/93/598866093.db2.gz CRMDOFXNMCGHBH-LLVKDONJSA-N -1 1 358.446 2.212 20 0 FEADMM CCOC(=O)c1cnn(-c2cccc(F)c2-c2nn[n-]n2)c1C(F)F ZINC000736603434 598895514 /nfs/dbraw/zinc/89/55/14/598895514.db2.gz VZDKWZWUZLYDRT-UHFFFAOYSA-N -1 1 352.276 2.306 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000737021817 598946700 /nfs/dbraw/zinc/94/67/00/598946700.db2.gz CXYNGFHIDWQZRG-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM c1ccc2[nH]c(CCNc3c4ccccc4nnc3-c3nnn[n-]3)nc2c1 ZINC000738432959 598957124 /nfs/dbraw/zinc/95/71/24/598957124.db2.gz KYEJMGDRPFELIC-UHFFFAOYSA-N -1 1 357.381 2.341 20 0 FEADMM c1ccc2[nH]c(CCNc3c4ccccc4nnc3-c3nn[n-]n3)nc2c1 ZINC000738432959 598957125 /nfs/dbraw/zinc/95/71/25/598957125.db2.gz KYEJMGDRPFELIC-UHFFFAOYSA-N -1 1 357.381 2.341 20 0 FEADMM CC(=O)Nc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000735488192 598957449 /nfs/dbraw/zinc/95/74/49/598957449.db2.gz FOSFYXRWFDRBLQ-UHFFFAOYSA-N -1 1 360.381 2.380 20 0 FEADMM CC(=O)Nc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000735488192 598957451 /nfs/dbraw/zinc/95/74/51/598957451.db2.gz FOSFYXRWFDRBLQ-UHFFFAOYSA-N -1 1 360.381 2.380 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1 ZINC000819844458 607254875 /nfs/dbraw/zinc/25/48/75/607254875.db2.gz IBRFUAASCGRIAT-UHFFFAOYSA-N -1 1 357.395 2.179 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736292543 598970467 /nfs/dbraw/zinc/97/04/67/598970467.db2.gz KLAVSRUZIOJSQC-NWDGAFQWSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736292543 598970469 /nfs/dbraw/zinc/97/04/69/598970469.db2.gz KLAVSRUZIOJSQC-NWDGAFQWSA-N -1 1 359.434 2.001 20 0 FEADMM CCCCOc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736463018 598992664 /nfs/dbraw/zinc/99/26/64/598992664.db2.gz JMOFBVHUUIQARG-UHFFFAOYSA-N -1 1 352.398 2.371 20 0 FEADMM CCCCOc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736463018 598992665 /nfs/dbraw/zinc/99/26/65/598992665.db2.gz JMOFBVHUUIQARG-UHFFFAOYSA-N -1 1 352.398 2.371 20 0 FEADMM COC(=O)c1cc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2o1 ZINC000736951273 598992712 /nfs/dbraw/zinc/99/27/12/598992712.db2.gz QNJTWKSLINQNBL-UHFFFAOYSA-N -1 1 364.321 2.047 20 0 FEADMM COC(=O)c1cc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2o1 ZINC000736951273 598992713 /nfs/dbraw/zinc/99/27/13/598992713.db2.gz QNJTWKSLINQNBL-UHFFFAOYSA-N -1 1 364.321 2.047 20 0 FEADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735487987 598998618 /nfs/dbraw/zinc/99/86/18/598998618.db2.gz DRHFCPQYUYCQJU-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735487987 598998619 /nfs/dbraw/zinc/99/86/19/598998619.db2.gz DRHFCPQYUYCQJU-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737488567 599006057 /nfs/dbraw/zinc/00/60/57/599006057.db2.gz QYBIPZKHVREEGE-CYBMUJFWSA-N -1 1 355.427 2.176 20 0 FEADMM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737488567 599006059 /nfs/dbraw/zinc/00/60/59/599006059.db2.gz QYBIPZKHVREEGE-CYBMUJFWSA-N -1 1 355.427 2.176 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000738259542 599024569 /nfs/dbraw/zinc/02/45/69/599024569.db2.gz RDBSSVKXBQEMFP-HNNXBMFYSA-N -1 1 352.373 2.248 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000738259542 599024570 /nfs/dbraw/zinc/02/45/70/599024570.db2.gz RDBSSVKXBQEMFP-HNNXBMFYSA-N -1 1 352.373 2.248 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735624866 599027795 /nfs/dbraw/zinc/02/77/95/599027795.db2.gz BRHUKAFVBQUKQU-SECBINFHSA-N -1 1 365.415 2.094 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000822492195 599047857 /nfs/dbraw/zinc/04/78/57/599047857.db2.gz VBBQFIDJXCVXJY-LURJTMIESA-N -1 1 352.855 2.370 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000822492195 599047859 /nfs/dbraw/zinc/04/78/59/599047859.db2.gz VBBQFIDJXCVXJY-LURJTMIESA-N -1 1 352.855 2.370 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000819940289 599049940 /nfs/dbraw/zinc/04/99/40/599049940.db2.gz VWUDVNWZQVEBRC-RYUDHWBXSA-N -1 1 359.434 2.367 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000819940289 599049943 /nfs/dbraw/zinc/04/99/43/599049943.db2.gz VWUDVNWZQVEBRC-RYUDHWBXSA-N -1 1 359.434 2.367 20 0 FEADMM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1cnc(-c2nn[n-]n2)n1 ZINC000737521750 599111814 /nfs/dbraw/zinc/11/18/14/599111814.db2.gz JZQJATIBCNTHJN-UHFFFAOYSA-N -1 1 369.820 2.022 20 0 FEADMM Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737388757 599136944 /nfs/dbraw/zinc/13/69/44/599136944.db2.gz FFPRHPLJPZIWNP-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737388757 599136946 /nfs/dbraw/zinc/13/69/46/599136946.db2.gz FFPRHPLJPZIWNP-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccccc1 ZINC000735734553 599137810 /nfs/dbraw/zinc/13/78/10/599137810.db2.gz NOENGWAXYBEJQA-MRXNPFEDSA-N -1 1 351.366 2.326 20 0 FEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccccc1 ZINC000735734553 599137813 /nfs/dbraw/zinc/13/78/13/599137813.db2.gz NOENGWAXYBEJQA-MRXNPFEDSA-N -1 1 351.366 2.326 20 0 FEADMM Cc1ccc(Br)c(C)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000556724130 674415641 /nfs/dbraw/zinc/41/56/41/674415641.db2.gz WACUUALQLBDFMN-SECBINFHSA-N -1 1 352.236 2.455 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CCc2nccs2)n[n-]1 ZINC000556783683 674419800 /nfs/dbraw/zinc/41/98/00/674419800.db2.gz BUMMEXFMSXUHBM-LLVKDONJSA-N -1 1 365.459 2.274 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CCc2nccs2)[n-]1 ZINC000556783683 674419802 /nfs/dbraw/zinc/41/98/02/674419802.db2.gz BUMMEXFMSXUHBM-LLVKDONJSA-N -1 1 365.459 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CCc2nccs2)n1 ZINC000556783683 674419806 /nfs/dbraw/zinc/41/98/06/674419806.db2.gz BUMMEXFMSXUHBM-LLVKDONJSA-N -1 1 365.459 2.274 20 0 FEADMM CN(CCC(=O)[O-])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000586085377 596989170 /nfs/dbraw/zinc/98/91/70/596989170.db2.gz HJJNERVMIDCZAL-UHFFFAOYSA-N -1 1 353.850 2.421 20 0 FEADMM CNC(=O)c1ccc(CN(C)c2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000736878746 599261333 /nfs/dbraw/zinc/26/13/33/599261333.db2.gz YTHOTHQVDLRDFJ-UHFFFAOYSA-N -1 1 373.420 2.411 20 0 FEADMM CNC(=O)c1ccc(CN(C)c2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000736878746 599261336 /nfs/dbraw/zinc/26/13/36/599261336.db2.gz YTHOTHQVDLRDFJ-UHFFFAOYSA-N -1 1 373.420 2.411 20 0 FEADMM O=C([O-])[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000819253188 597506812 /nfs/dbraw/zinc/50/68/12/597506812.db2.gz NTABBHGNFAZTSZ-CQSZACIVSA-N -1 1 365.861 2.421 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3CN(C)C4=O)ccc2O1 ZINC000556876206 674425801 /nfs/dbraw/zinc/42/58/01/674425801.db2.gz BHYFHXUYAQHRBD-LLVKDONJSA-N -1 1 358.419 2.396 20 0 FEADMM CN(CCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000556907493 674427155 /nfs/dbraw/zinc/42/71/55/674427155.db2.gz FYRRNQQHIQMKEQ-HNNXBMFYSA-N -1 1 351.422 2.154 20 0 FEADMM Cc1ncsc1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737503587 598235027 /nfs/dbraw/zinc/23/50/27/598235027.db2.gz PMYTUYKKGBPHFX-UHFFFAOYSA-N -1 1 369.410 2.254 20 0 FEADMM Cc1ncsc1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737503587 598235029 /nfs/dbraw/zinc/23/50/29/598235029.db2.gz PMYTUYKKGBPHFX-UHFFFAOYSA-N -1 1 369.410 2.254 20 0 FEADMM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737316491 598259586 /nfs/dbraw/zinc/25/95/86/598259586.db2.gz DFNDEPCLSWAMJZ-UHFFFAOYSA-N -1 1 359.411 2.461 20 0 FEADMM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737316491 598259587 /nfs/dbraw/zinc/25/95/87/598259587.db2.gz DFNDEPCLSWAMJZ-UHFFFAOYSA-N -1 1 359.411 2.461 20 0 FEADMM Cc1ccc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737321446 598270420 /nfs/dbraw/zinc/27/04/20/598270420.db2.gz FPDCAPKFFYAVEE-CYBMUJFWSA-N -1 1 372.454 2.260 20 0 FEADMM Cc1ccc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737321446 598270422 /nfs/dbraw/zinc/27/04/22/598270422.db2.gz FPDCAPKFFYAVEE-CYBMUJFWSA-N -1 1 372.454 2.260 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736415611 598298248 /nfs/dbraw/zinc/29/82/48/598298248.db2.gz HFYAFXRIVVBPSZ-VIFPVBQESA-N -1 1 369.882 2.109 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736415611 598298251 /nfs/dbraw/zinc/29/82/51/598298251.db2.gz HFYAFXRIVVBPSZ-VIFPVBQESA-N -1 1 369.882 2.109 20 0 FEADMM CCNc1nc(Sc2nccnc2-c2nn[n-]n2)nc2ccccc21 ZINC000736581118 598340575 /nfs/dbraw/zinc/34/05/75/598340575.db2.gz MCSZVAYXVAMRTD-UHFFFAOYSA-N -1 1 351.399 2.183 20 0 FEADMM c1cnc(-c2nnn[n-]2)c(NCCc2ccc(N3CCCCC3)cc2)n1 ZINC000738445976 598345124 /nfs/dbraw/zinc/34/51/24/598345124.db2.gz QLJGYBSMKUXFFA-UHFFFAOYSA-N -1 1 350.430 2.302 20 0 FEADMM c1cnc(-c2nn[n-]n2)c(NCCc2ccc(N3CCCCC3)cc2)n1 ZINC000738445976 598345126 /nfs/dbraw/zinc/34/51/26/598345126.db2.gz QLJGYBSMKUXFFA-UHFFFAOYSA-N -1 1 350.430 2.302 20 0 FEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCOCC1 ZINC000738267925 598401227 /nfs/dbraw/zinc/40/12/27/598401227.db2.gz GHFYFNDURVVFJO-UHFFFAOYSA-N -1 1 369.356 2.271 20 0 FEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000738267925 598401228 /nfs/dbraw/zinc/40/12/28/598401228.db2.gz GHFYFNDURVVFJO-UHFFFAOYSA-N -1 1 369.356 2.271 20 0 FEADMM Cc1cc(C)cc(OCCCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000737257156 598473320 /nfs/dbraw/zinc/47/33/20/598473320.db2.gz RODYRRATMUFKPC-UHFFFAOYSA-N -1 1 354.414 2.126 20 0 FEADMM Cc1ccc(C)c(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737326056 598504208 /nfs/dbraw/zinc/50/42/08/598504208.db2.gz KFDLWGLHVTVEPH-UHFFFAOYSA-N -1 1 374.404 2.437 20 0 FEADMM FC(F)(F)CO[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000737628840 598576957 /nfs/dbraw/zinc/57/69/57/598576957.db2.gz XSZGAFSSVKCZGZ-QMMMGPOBSA-N -1 1 362.743 2.463 20 0 FEADMM FC(F)(F)CO[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000737628840 598576958 /nfs/dbraw/zinc/57/69/58/598576958.db2.gz XSZGAFSSVKCZGZ-QMMMGPOBSA-N -1 1 362.743 2.463 20 0 FEADMM CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735876061 598594822 /nfs/dbraw/zinc/59/48/22/598594822.db2.gz UIPLXMKGSPDZJL-UHFFFAOYSA-N -1 1 362.390 2.005 20 0 FEADMM CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735876061 598594824 /nfs/dbraw/zinc/59/48/24/598594824.db2.gz UIPLXMKGSPDZJL-UHFFFAOYSA-N -1 1 362.390 2.005 20 0 FEADMM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295943 598661622 /nfs/dbraw/zinc/66/16/22/598661622.db2.gz CHYZCFVLPOPIEO-JTQLQIEISA-N -1 1 359.386 2.146 20 0 FEADMM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736205448 598662951 /nfs/dbraw/zinc/66/29/51/598662951.db2.gz WGUUFEDDFFQGCG-LLVKDONJSA-N -1 1 361.402 2.388 20 0 FEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000737396459 598663641 /nfs/dbraw/zinc/66/36/41/598663641.db2.gz QEDLXEKZZSOGFO-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738340155 598685935 /nfs/dbraw/zinc/68/59/35/598685935.db2.gz UFTOEHNPYKXUGZ-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM CC(C)(C)OC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000735623678 598720788 /nfs/dbraw/zinc/72/07/88/598720788.db2.gz KWBAULZIGNPIFL-UHFFFAOYSA-N -1 1 361.789 2.177 20 0 FEADMM Cc1noc([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000737533568 598745015 /nfs/dbraw/zinc/74/50/15/598745015.db2.gz DAYSTWVRLPXIHL-ZETCQYMHSA-N -1 1 352.811 2.052 20 0 FEADMM Cc1noc([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000737533568 598745017 /nfs/dbraw/zinc/74/50/17/598745017.db2.gz DAYSTWVRLPXIHL-ZETCQYMHSA-N -1 1 352.811 2.052 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c1C ZINC000808127075 674443101 /nfs/dbraw/zinc/44/31/01/674443101.db2.gz MTQQBBYVDXMFBB-UHFFFAOYSA-N -1 1 361.375 2.253 20 0 FEADMM O=S(=O)([N-][C@@H]1COc2ccccc2[C@@H]1O)c1cc(Cl)ccc1F ZINC000808350632 674455434 /nfs/dbraw/zinc/45/54/34/674455434.db2.gz CFSRHLVSAWZEGW-DOMZBBRYSA-N -1 1 357.790 2.252 20 0 FEADMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)NC1=S ZINC000822361887 599379742 /nfs/dbraw/zinc/37/97/42/599379742.db2.gz KAWDFEZGLFUNLA-FLIBITNWSA-N -1 1 352.379 2.030 20 0 FEADMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)NC1=S ZINC000822361887 599379745 /nfs/dbraw/zinc/37/97/45/599379745.db2.gz KAWDFEZGLFUNLA-FLIBITNWSA-N -1 1 352.379 2.030 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC(C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000821971232 599486725 /nfs/dbraw/zinc/48/67/25/599486725.db2.gz ZHCOYFKRQJFFET-UHFFFAOYSA-N -1 1 362.459 2.197 20 0 FEADMM CC[C@]1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000820950654 599494969 /nfs/dbraw/zinc/49/49/69/599494969.db2.gz PWXHFPCAGAGVCZ-MRXNPFEDSA-N -1 1 362.459 2.342 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(Nc2cccnn2)CC1 ZINC000823816226 599532782 /nfs/dbraw/zinc/53/27/82/599532782.db2.gz PWEOKCDZCAIQPI-UHFFFAOYSA-N -1 1 373.424 2.286 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC(Nc2cccnn2)CC1 ZINC000823816226 599532784 /nfs/dbraw/zinc/53/27/84/599532784.db2.gz PWEOKCDZCAIQPI-UHFFFAOYSA-N -1 1 373.424 2.286 20 0 FEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1C2CCC1CC2 ZINC000738352820 599594429 /nfs/dbraw/zinc/59/44/29/599594429.db2.gz AVPDJXPZIQHLLV-UHFFFAOYSA-N -1 1 373.360 2.201 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC3(CCCC3)CC2)cc1-c1nn[n-]n1 ZINC000737187753 599604628 /nfs/dbraw/zinc/60/46/28/599604628.db2.gz UAALEKOCLFNNIL-UHFFFAOYSA-N -1 1 374.470 2.486 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)/C=C\C2CC2)c1-c1nn[n-]n1 ZINC000822486311 599670211 /nfs/dbraw/zinc/67/02/11/599670211.db2.gz GCGRKBLHIYHMSZ-KTKRTIGZSA-N -1 1 350.382 2.370 20 0 FEADMM Cc1ccc([C@H](C)C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000822227697 599671539 /nfs/dbraw/zinc/67/15/39/599671539.db2.gz RVVWYWHCGDPNOK-JTQLQIEISA-N -1 1 373.369 2.263 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000738543812 599780851 /nfs/dbraw/zinc/78/08/51/599780851.db2.gz SXWRRRUQYYCNGR-ZIAGYGMSSA-N -1 1 354.472 2.234 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)c(C(=O)[O-])s1 ZINC000737679778 599813801 /nfs/dbraw/zinc/81/38/01/599813801.db2.gz DHXPGWBIMNUEGU-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccnc1N1CCCC1 ZINC000327377978 599965734 /nfs/dbraw/zinc/96/57/34/599965734.db2.gz FAQWBBJXSAHZPG-UHFFFAOYSA-N -1 1 361.423 2.489 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000738516738 599969105 /nfs/dbraw/zinc/96/91/05/599969105.db2.gz ASKWMVNYIPMARS-LSDHHAIUSA-N -1 1 371.441 2.024 20 0 FEADMM COC(=O)c1sc(NC(=O)CN(C)CC(C)(C)C)c(C(=O)[O-])c1C ZINC000737718023 599995366 /nfs/dbraw/zinc/99/53/66/599995366.db2.gz GFQPBUCZAJHPBA-UHFFFAOYSA-N -1 1 356.444 2.458 20 0 FEADMM CCN1CCC(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000324792234 600051122 /nfs/dbraw/zinc/05/11/22/600051122.db2.gz KFKWQZPLGFCHHE-UHFFFAOYSA-N -1 1 368.480 2.362 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000737528940 600073394 /nfs/dbraw/zinc/07/33/94/600073394.db2.gz FFBAAMBZUDHRSI-RYUDHWBXSA-N -1 1 371.359 2.116 20 0 FEADMM CCOCCN1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000574043468 600213938 /nfs/dbraw/zinc/21/39/38/600213938.db2.gz MQPJUECVVVVIAB-UHFFFAOYSA-N -1 1 364.471 2.165 20 0 FEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736209858 600290489 /nfs/dbraw/zinc/29/04/89/600290489.db2.gz AOIBRXXUIIGYLX-VXGBXAGGSA-N -1 1 363.389 2.049 20 0 FEADMM C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736209854 600290586 /nfs/dbraw/zinc/29/05/86/600290586.db2.gz AOIBRXXUIIGYLX-NWDGAFQWSA-N -1 1 363.389 2.049 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000737403046 600296742 /nfs/dbraw/zinc/29/67/42/600296742.db2.gz QYVKWFOEZXCZIE-OAHLLOKOSA-N -1 1 372.425 2.197 20 0 FEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738121371 600297336 /nfs/dbraw/zinc/29/73/36/600297336.db2.gz QOQQZXDBEBOGMG-GDBMZVCRSA-N -1 1 360.454 2.401 20 0 FEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738121381 600297457 /nfs/dbraw/zinc/29/74/57/600297457.db2.gz QOQQZXDBEBOGMG-ZBFHGGJFSA-N -1 1 360.454 2.401 20 0 FEADMM CCCOc1cccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000737034824 600299341 /nfs/dbraw/zinc/29/93/41/600299341.db2.gz QXZRJGHUQILFNY-KRWDZBQOSA-N -1 1 360.454 2.278 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cccc(Br)c1O)CC2 ZINC000739533361 600318513 /nfs/dbraw/zinc/31/85/13/600318513.db2.gz AKJTVENNWWSGMQ-JTQLQIEISA-N -1 1 354.200 2.482 20 0 FEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000736820651 600358627 /nfs/dbraw/zinc/35/86/27/600358627.db2.gz DBRQHNSOXAAWEA-ZBFHGGJFSA-N -1 1 361.442 2.032 20 0 FEADMM COC(=O)[C@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000737582092 600398076 /nfs/dbraw/zinc/39/80/76/600398076.db2.gz YCHIANCDUQUQKF-MOPGFXCFSA-N -1 1 368.433 2.344 20 0 FEADMM CCc1[nH]ncc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000737247677 600496419 /nfs/dbraw/zinc/49/64/19/600496419.db2.gz OKLAVKJZLLVTPS-INIZCTEOSA-N -1 1 370.409 2.304 20 0 FEADMM O=C([O-])CCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCCO1 ZINC000739716207 600510525 /nfs/dbraw/zinc/51/05/25/600510525.db2.gz CUAHQAHMJRHLOV-VQBCORBOSA-N -1 1 364.486 2.027 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000736719564 600514942 /nfs/dbraw/zinc/51/49/42/600514942.db2.gz XNEYNWGPIQHAGL-RHSMWYFYSA-N -1 1 366.433 2.301 20 0 FEADMM O=C([O-])CCN(CC(=O)NC1(c2ccccc2)CCC1)C[C@H]1CCCO1 ZINC000739718752 600516169 /nfs/dbraw/zinc/51/61/69/600516169.db2.gz LSKHTOFYCMVWFJ-QGZVFWFLSA-N -1 1 360.454 2.138 20 0 FEADMM Cn1cc([C@H](NCC(=O)Nc2ccsc2C(=O)[O-])C(C)(C)C)cn1 ZINC000739025293 600555943 /nfs/dbraw/zinc/55/59/43/600555943.db2.gz CQXSHBVPLDOCBO-AWEZNQCLSA-N -1 1 350.444 2.495 20 0 FEADMM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000079705194 600576067 /nfs/dbraw/zinc/57/60/67/600576067.db2.gz NWFYYILIORGFAW-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM C[C@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736216584 600586977 /nfs/dbraw/zinc/58/69/77/600586977.db2.gz WYMPZTJYRREXJI-OAHLLOKOSA-N -1 1 356.422 2.400 20 0 FEADMM COCCOc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481979097 600628343 /nfs/dbraw/zinc/62/83/43/600628343.db2.gz JBALWTWMANIMKC-UHFFFAOYSA-N -1 1 365.407 2.140 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736941449 600651643 /nfs/dbraw/zinc/65/16/43/600651643.db2.gz MSMBAGVUHNKEMK-ZDUSSCGKSA-N -1 1 358.435 2.067 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000736942197 600651677 /nfs/dbraw/zinc/65/16/77/600651677.db2.gz RCVYCOSYKQLBAG-HNNXBMFYSA-N -1 1 354.472 2.236 20 0 FEADMM COCCC1(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1 ZINC000809248303 674488798 /nfs/dbraw/zinc/48/87/98/674488798.db2.gz ASWNEPUZMSIFLM-AVGNSLFASA-N -1 1 364.408 2.497 20 0 FEADMM Cc1ccc(CO)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738601359 600679218 /nfs/dbraw/zinc/67/92/18/600679218.db2.gz CVBMBEMVFMQCMN-UHFFFAOYSA-N -1 1 357.334 2.265 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000832956213 600770835 /nfs/dbraw/zinc/77/08/35/600770835.db2.gz PLFHJAYFVXZPCZ-ZIAGYGMSSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000324737046 600774880 /nfs/dbraw/zinc/77/48/80/600774880.db2.gz LRUUBBSKMCBNGK-NSHDSACASA-N -1 1 359.325 2.251 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000829120082 600782774 /nfs/dbraw/zinc/78/27/74/600782774.db2.gz ZNHBZYYHSGDCHX-CQSZACIVSA-N -1 1 354.472 2.236 20 0 FEADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000830856200 600786285 /nfs/dbraw/zinc/78/62/85/600786285.db2.gz KTHRHNVDQXYYTC-KRWDZBQOSA-N -1 1 374.462 2.280 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1)C(=O)[O-] ZINC000828718715 600852453 /nfs/dbraw/zinc/85/24/53/600852453.db2.gz NWFLUTAOYQTNFQ-RUENVJTFSA-N -1 1 362.470 2.190 20 0 FEADMM CC(C)(NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C(=O)[O-] ZINC000826630790 600991244 /nfs/dbraw/zinc/99/12/44/600991244.db2.gz RCKBBKYRTHAFTB-UHFFFAOYSA-N -1 1 351.403 2.264 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCC(=O)[O-])CC1 ZINC000818208114 600998227 /nfs/dbraw/zinc/99/82/27/600998227.db2.gz VSXHNMMZLHJCFW-UHFFFAOYSA-N -1 1 354.838 2.078 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(OCC2CC2)CC1 ZINC000563283557 601050046 /nfs/dbraw/zinc/05/00/46/601050046.db2.gz PGNQLFGLLFSTDK-AWEZNQCLSA-N -1 1 360.454 2.281 20 0 FEADMM c1cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)cc(-c2nnn[n-]2)n1 ZINC000826515960 607486976 /nfs/dbraw/zinc/48/69/76/607486976.db2.gz RBDPQUYRPMFFAK-AWEZNQCLSA-N -1 1 352.402 2.249 20 0 FEADMM c1cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)cc(-c2nn[n-]n2)n1 ZINC000826515960 607486978 /nfs/dbraw/zinc/48/69/78/607486978.db2.gz RBDPQUYRPMFFAK-AWEZNQCLSA-N -1 1 352.402 2.249 20 0 FEADMM Cc1c(Cl)cccc1OCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630224821 601090201 /nfs/dbraw/zinc/09/02/01/601090201.db2.gz PHXBSFRXSNBYLZ-GFCCVEGCSA-N -1 1 354.834 2.035 20 0 FEADMM O=C(CN1CCN2CCCC[C@H]2C1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833108310 601171269 /nfs/dbraw/zinc/17/12/69/601171269.db2.gz NSEYPEVSBBHOKJ-LBPRGKRZSA-N -1 1 363.483 2.044 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1C ZINC000327353554 601240750 /nfs/dbraw/zinc/24/07/50/601240750.db2.gz JHMUXNJXQRBTKO-MRXNPFEDSA-N -1 1 366.483 2.251 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1C ZINC000832867065 601251648 /nfs/dbraw/zinc/25/16/48/601251648.db2.gz JNKDPZJERXZCSO-SWLSCSKDSA-N -1 1 354.472 2.105 20 0 FEADMM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000828790016 601306889 /nfs/dbraw/zinc/30/68/89/601306889.db2.gz HZNDHEGOQIFVST-UHFFFAOYSA-N -1 1 361.486 2.197 20 0 FEADMM O=C([O-])c1nn(CN2CCC(c3nnc4n3CCC4)CC2)c2ccccc21 ZINC000833346575 601398209 /nfs/dbraw/zinc/39/82/09/601398209.db2.gz LFJHVIPUJOOYJG-UHFFFAOYSA-N -1 1 366.425 2.109 20 0 FEADMM CC(C)c1nc(C2(NCc3ccnc(-c4nnn[n-]4)c3)CCCC2)no1 ZINC000824359318 607506672 /nfs/dbraw/zinc/50/66/72/607506672.db2.gz VFRDFRRZCKGTAO-UHFFFAOYSA-N -1 1 354.418 2.327 20 0 FEADMM CC(C)c1nc(C2(NCc3ccnc(-c4nn[n-]n4)c3)CCCC2)no1 ZINC000824359318 607506673 /nfs/dbraw/zinc/50/66/73/607506673.db2.gz VFRDFRRZCKGTAO-UHFFFAOYSA-N -1 1 354.418 2.327 20 0 FEADMM Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1Br ZINC000832990317 601481497 /nfs/dbraw/zinc/48/14/97/601481497.db2.gz VEWSUQPDCNFXCW-ZDUSSCGKSA-N -1 1 364.199 2.305 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000833011569 601513538 /nfs/dbraw/zinc/51/35/38/601513538.db2.gz LZBSSQIPEQXBCH-NUTKFTJISA-N -1 1 370.453 2.469 20 0 FEADMM CSc1ccncc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000832790587 601577537 /nfs/dbraw/zinc/57/75/37/601577537.db2.gz NCDVPRXJRXVILD-UHFFFAOYSA-N -1 1 354.409 2.068 20 0 FEADMM Cc1cccc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1O ZINC000832973051 601604703 /nfs/dbraw/zinc/60/47/03/601604703.db2.gz OWCQTRDZGVRPJM-UHFFFAOYSA-N -1 1 351.380 2.355 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@H](N3C[C@H](C(=O)[O-])[C@H](C)C3)C2=O)cc1 ZINC000829430539 601635907 /nfs/dbraw/zinc/63/59/07/601635907.db2.gz AUPZVSZUQCVCMS-COXVUDFISA-N -1 1 358.438 2.314 20 0 FEADMM CCc1ocnc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000830403789 601734471 /nfs/dbraw/zinc/73/44/71/601734471.db2.gz UTPCELLRNRNRFR-LJQANCHMSA-N -1 1 357.410 2.086 20 0 FEADMM Cc1nc(C)c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000832994444 601740919 /nfs/dbraw/zinc/74/09/19/601740919.db2.gz JEUYAOPRJIUTIF-LJQANCHMSA-N -1 1 357.410 2.141 20 0 FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000830604528 601799940 /nfs/dbraw/zinc/79/99/40/601799940.db2.gz PVUZIHIINCKZEN-UHFFFAOYSA-N -1 1 360.501 2.331 20 0 FEADMM CC(C)[C@H](NCC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000035391670 601824179 /nfs/dbraw/zinc/82/41/79/601824179.db2.gz CPADLWZCLOOVQN-YGRLFVJLSA-N -1 1 357.248 2.325 20 0 FEADMM C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000828258168 601836150 /nfs/dbraw/zinc/83/61/50/601836150.db2.gz PZPBIVFPBXLUQN-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCC(CCC(=O)[O-])CC2)cc1F ZINC000832304370 601842810 /nfs/dbraw/zinc/84/28/10/601842810.db2.gz KMDVOTDTZQZYJG-UHFFFAOYSA-N -1 1 366.433 2.370 20 0 FEADMM CN(Cc1cccc(C(N)=O)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830844539 601903163 /nfs/dbraw/zinc/90/31/63/601903163.db2.gz CNMYEKCYZKLCLB-OAHLLOKOSA-N -1 1 352.312 2.461 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738628901 601951596 /nfs/dbraw/zinc/95/15/96/601951596.db2.gz FFSPPFSZCRXWSA-WDEREUQCSA-N -1 1 370.247 2.366 20 0 FEADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000738893323 601955122 /nfs/dbraw/zinc/95/51/22/601955122.db2.gz XTGYZRDPGNDKFR-WBVHZDCISA-N -1 1 359.470 2.403 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827696182 602007653 /nfs/dbraw/zinc/00/76/53/602007653.db2.gz YVNYBOSGFNORSK-VIFPVBQESA-N -1 1 373.390 2.184 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000739523189 602023453 /nfs/dbraw/zinc/02/34/53/602023453.db2.gz ISOZWNZVYHEOKX-AWEZNQCLSA-N -1 1 357.414 2.224 20 0 FEADMM C[C@@H](CC(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000827293624 602152999 /nfs/dbraw/zinc/15/29/99/602152999.db2.gz ZTAKOCHLDOOVIJ-AWEZNQCLSA-N -1 1 367.877 2.079 20 0 FEADMM CCN(CC)C(=O)c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825406608 607548298 /nfs/dbraw/zinc/54/82/98/607548298.db2.gz QRVCTKGXRLQVDR-UHFFFAOYSA-N -1 1 351.414 2.356 20 0 FEADMM CCN(CC)C(=O)c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825406608 607548299 /nfs/dbraw/zinc/54/82/99/607548299.db2.gz QRVCTKGXRLQVDR-UHFFFAOYSA-N -1 1 351.414 2.356 20 0 FEADMM C[C@@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C[C@H]1n1ccnc1 ZINC000828284058 602255430 /nfs/dbraw/zinc/25/54/30/602255430.db2.gz BCXAECLTAMCFSZ-VHDGCEQUSA-N -1 1 374.466 2.331 20 0 FEADMM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825782496 607562234 /nfs/dbraw/zinc/56/22/34/607562234.db2.gz FSYHZDRLKBMSLC-CQSZACIVSA-N -1 1 351.414 2.199 20 0 FEADMM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825782496 607562235 /nfs/dbraw/zinc/56/22/35/607562235.db2.gz FSYHZDRLKBMSLC-CQSZACIVSA-N -1 1 351.414 2.199 20 0 FEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738620514 602407636 /nfs/dbraw/zinc/40/76/36/602407636.db2.gz VJMSSRHNNLLHKY-CYBMUJFWSA-N -1 1 362.430 2.045 20 0 FEADMM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000558503799 674500730 /nfs/dbraw/zinc/50/07/30/674500730.db2.gz DBWBOVUXUYXQAX-HNNXBMFYSA-N -1 1 357.801 2.342 20 0 FEADMM O=C([O-])N1CCc2ccc(NS(=O)(=O)c3cncc(F)c3)cc2C1 ZINC000740529334 602490923 /nfs/dbraw/zinc/49/09/23/602490923.db2.gz GDXAYPQSPWHDJS-UHFFFAOYSA-N -1 1 351.359 2.058 20 0 FEADMM CC(C)(F)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000633728200 677062566 /nfs/dbraw/zinc/06/25/66/677062566.db2.gz PVJDPADJNBLCJQ-UHFFFAOYSA-N -1 1 357.234 2.136 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826288862 607575475 /nfs/dbraw/zinc/57/54/75/607575475.db2.gz ZIZFJUUBRGXJPM-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826288862 607575477 /nfs/dbraw/zinc/57/54/77/607575477.db2.gz ZIZFJUUBRGXJPM-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM CCCN(C(=O)NCCN1CCc2ccccc2C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354414 602615394 /nfs/dbraw/zinc/61/53/94/602615394.db2.gz XIOIIGDBHXIXLV-GOSISDBHSA-N -1 1 374.485 2.219 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccccc3NC(=O)[O-])cc12 ZINC000740258544 602653357 /nfs/dbraw/zinc/65/33/57/602653357.db2.gz ZDQSOKPSSZCYJW-UHFFFAOYSA-N -1 1 361.383 2.167 20 0 FEADMM O=C([O-])NC1(CNC(=O)NCc2n[nH]c(-c3ccccc3)n2)CCCCC1 ZINC000740546962 602665790 /nfs/dbraw/zinc/66/57/90/602665790.db2.gz GCGAOMWZYDOUDZ-UHFFFAOYSA-N -1 1 372.429 2.241 20 0 FEADMM O=C([O-])NC1(CNC(=O)NCc2nc(-c3ccccc3)n[nH]2)CCCCC1 ZINC000740546962 602665792 /nfs/dbraw/zinc/66/57/92/602665792.db2.gz GCGAOMWZYDOUDZ-UHFFFAOYSA-N -1 1 372.429 2.241 20 0 FEADMM C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171513 602774873 /nfs/dbraw/zinc/77/48/73/602774873.db2.gz CDAGENLVMKOARB-KEYYUXOJSA-N -1 1 372.469 2.193 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC000738950778 602787213 /nfs/dbraw/zinc/78/72/13/602787213.db2.gz GMHVVADRRYETQK-WFGGJUAMSA-N -1 1 351.422 2.369 20 0 FEADMM O=C([O-])NC[C@@H](C(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000832408688 602795904 /nfs/dbraw/zinc/79/59/04/602795904.db2.gz SSOBOOUPFIVHPB-OAHLLOKOSA-N -1 1 365.393 2.139 20 0 FEADMM O=C([O-])NC[C@@H](C(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000832408688 602795908 /nfs/dbraw/zinc/79/59/08/602795908.db2.gz SSOBOOUPFIVHPB-OAHLLOKOSA-N -1 1 365.393 2.139 20 0 FEADMM O=C([O-])NC[C@@H](C(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000832413771 602824450 /nfs/dbraw/zinc/82/44/50/602824450.db2.gz FCWDPPBUYCMNND-MRXNPFEDSA-N -1 1 351.366 2.257 20 0 FEADMM C[C@@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@H]1NC(=O)[O-] ZINC000739136382 602836364 /nfs/dbraw/zinc/83/63/64/602836364.db2.gz FGNRBMWHKQYTHZ-MLGOLLRUSA-N -1 1 366.437 2.075 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)ccc1F ZINC000739609817 602841210 /nfs/dbraw/zinc/84/12/10/602841210.db2.gz HSIKOVORQDODKH-AWEZNQCLSA-N -1 1 366.437 2.029 20 0 FEADMM O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(Br)cc1[O-] ZINC000558722126 674513027 /nfs/dbraw/zinc/51/30/27/674513027.db2.gz YXOHRDJPPFFMNM-RYUDHWBXSA-N -1 1 353.216 2.038 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826288471 607590876 /nfs/dbraw/zinc/59/08/76/607590876.db2.gz IMWUMKBRPHYIQQ-UHFFFAOYSA-N -1 1 369.859 2.369 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826288471 607590877 /nfs/dbraw/zinc/59/08/77/607590877.db2.gz IMWUMKBRPHYIQQ-UHFFFAOYSA-N -1 1 369.859 2.369 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1cccs1 ZINC000828200712 603010924 /nfs/dbraw/zinc/01/09/24/603010924.db2.gz YOLWXLBFOMLDOC-STQMWFEESA-N -1 1 354.476 2.135 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000738824912 603037452 /nfs/dbraw/zinc/03/74/52/603037452.db2.gz MTLPMMBZFUDDLI-CYBMUJFWSA-N -1 1 368.409 2.394 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCc3ccco3)cc2)n1 ZINC000740681742 603059926 /nfs/dbraw/zinc/05/99/26/603059926.db2.gz RVURVMMOLMZCGP-UHFFFAOYSA-N -1 1 355.354 2.404 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCc3ccco3)cc2)n[nH]1 ZINC000740681742 603059930 /nfs/dbraw/zinc/05/99/30/603059930.db2.gz RVURVMMOLMZCGP-UHFFFAOYSA-N -1 1 355.354 2.404 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)o1 ZINC000832704993 603068447 /nfs/dbraw/zinc/06/84/47/603068447.db2.gz BLKVQWUDIIYTJT-UHFFFAOYSA-N -1 1 358.354 2.219 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)cc2)CC1 ZINC000739736301 603156075 /nfs/dbraw/zinc/15/60/75/603156075.db2.gz ISBNDWGGNCDKNW-GOEBONIOSA-N -1 1 360.458 2.203 20 0 FEADMM C[C@H](CNC(=O)c1ccc(CNC(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000824973152 603306384 /nfs/dbraw/zinc/30/63/84/603306384.db2.gz DTOWRVCWXFGHMI-CYBMUJFWSA-N -1 1 357.410 2.224 20 0 FEADMM O=C([O-])N1CC[C@H](CN2CCN(C(=O)CCCc3ccccc3)CC2)C1 ZINC000740499021 603332870 /nfs/dbraw/zinc/33/28/70/603332870.db2.gz JJQGSYKUFNWNDA-GOSISDBHSA-N -1 1 359.470 2.153 20 0 FEADMM O=C([O-])N1CC[C@H](CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000740468288 603351400 /nfs/dbraw/zinc/35/14/00/603351400.db2.gz ZWVNFISCGQEPCO-RHSMWYFYSA-N -1 1 373.453 2.414 20 0 FEADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000827821886 603733544 /nfs/dbraw/zinc/73/35/44/603733544.db2.gz DVXBSRYAQZQLAR-KRWDZBQOSA-N -1 1 354.410 2.462 20 0 FEADMM Cc1cc(C=O)c(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000826266159 607648652 /nfs/dbraw/zinc/64/86/52/607648652.db2.gz DXJNPUJDBXFEEP-UHFFFAOYSA-N -1 1 372.406 2.372 20 0 FEADMM CN(CC(=O)Nc1ccnn1C1CCCC1)C1CCC(NC(=O)[O-])CC1 ZINC000828120237 603836258 /nfs/dbraw/zinc/83/62/58/603836258.db2.gz GZTZRMGTTFTPMV-UHFFFAOYSA-N -1 1 363.462 2.447 20 0 FEADMM O=C([O-])N1CCc2cccc(CNCc3ccc4c(c3)CCS4(=O)=O)c21 ZINC000832086796 603867479 /nfs/dbraw/zinc/86/74/79/603867479.db2.gz INDHEJLGBMNYKZ-UHFFFAOYSA-N -1 1 372.446 2.347 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-])c1cccc(F)c1 ZINC000827994481 603887373 /nfs/dbraw/zinc/88/73/73/603887373.db2.gz LEIFLUWHQHBNQH-NUEKZKHPSA-N -1 1 366.437 2.164 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826087472 603892210 /nfs/dbraw/zinc/89/22/10/603892210.db2.gz NYAGSCWEEHSGMH-DJIMGWMZSA-N -1 1 360.458 2.264 20 0 FEADMM CN(C(=O)NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)[O-])CC1 ZINC000827793623 604022199 /nfs/dbraw/zinc/02/21/99/604022199.db2.gz DBKHGAMPQYAUEZ-OAHLLOKOSA-N -1 1 364.446 2.200 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H](CNC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000827994270 604040946 /nfs/dbraw/zinc/04/09/46/604040946.db2.gz JJTXIBJMFVDFFB-CABCVRRESA-N -1 1 368.865 2.288 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)[C@H](C)CN(C)C(=O)[O-])N1CCCC1 ZINC000829592006 604064633 /nfs/dbraw/zinc/06/46/33/604064633.db2.gz KJOPAZCYOTWKTN-ZBFHGGJFSA-N -1 1 363.458 2.194 20 0 FEADMM COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829628011 604175316 /nfs/dbraw/zinc/17/53/16/604175316.db2.gz WRKCIFGFPQFHAL-DZKIICNBSA-N -1 1 363.458 2.068 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830568162 604221817 /nfs/dbraw/zinc/22/18/17/604221817.db2.gz YRVFXOYNZLNLEA-SOLBZPMBSA-N -1 1 361.486 2.410 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)C2CC2)o1 ZINC000830301824 604254296 /nfs/dbraw/zinc/25/42/96/604254296.db2.gz BCKNFIHJLPUTTE-LSDHHAIUSA-N -1 1 363.458 2.447 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000829357093 604258624 /nfs/dbraw/zinc/25/86/24/604258624.db2.gz MUOZKRRECXWLTM-HOCLYGCPSA-N -1 1 363.458 2.022 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@](C)(C(=O)[O-])C3CC3)n2)cc1 ZINC000832907938 604283451 /nfs/dbraw/zinc/28/34/51/604283451.db2.gz QDKSHDOFEOEOKH-QGZVFWFLSA-N -1 1 360.439 2.242 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCSC[C@H]3CC(=O)[O-])n[nH]2)c1 ZINC000832510379 604286807 /nfs/dbraw/zinc/28/68/07/604286807.db2.gz JFECQNVGRFYUAQ-GFCCVEGCSA-N -1 1 361.423 2.118 20 0 FEADMM C[C@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824711460 604315806 /nfs/dbraw/zinc/31/58/06/604315806.db2.gz WZEHBJILKHEXSF-VXGBXAGGSA-N -1 1 358.402 2.221 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)C1=O ZINC000833336140 604370307 /nfs/dbraw/zinc/37/03/07/604370307.db2.gz LIGAVIGWCMGUOE-UVBSCNOISA-N -1 1 364.467 2.179 20 0 FEADMM O=C([O-])NC1(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)CC1 ZINC000832180410 604429785 /nfs/dbraw/zinc/42/97/85/604429785.db2.gz IDYNRHLVQVNEEW-UHFFFAOYSA-N -1 1 374.441 2.240 20 0 FEADMM O=C([O-])C[C@H]1CCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000833210081 604561733 /nfs/dbraw/zinc/56/17/33/604561733.db2.gz DYKFHAJLJFTWJK-SECBINFHSA-N -1 1 352.188 2.405 20 0 FEADMM CC(C)CN1CCN(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000824256320 604614573 /nfs/dbraw/zinc/61/45/73/604614573.db2.gz DDFYTZLMKYZQMO-OAHLLOKOSA-N -1 1 362.474 2.498 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c3ccccc3)C2)n[nH]1 ZINC000830735262 604645759 /nfs/dbraw/zinc/64/57/59/604645759.db2.gz QRTGFRMUARZVNB-DAXOMENPSA-N -1 1 371.441 2.464 20 0 FEADMM CN1CC[C@@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000833697042 604706616 /nfs/dbraw/zinc/70/66/16/604706616.db2.gz CALKRSURQYOIEB-MSOLQXFVSA-N -1 1 374.462 2.250 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833619019 604721238 /nfs/dbraw/zinc/72/12/38/604721238.db2.gz AKAKJMORTBHFGQ-DAYGRLMNSA-N -1 1 360.454 2.028 20 0 FEADMM COCCC1(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)CCC1 ZINC000828940891 604766553 /nfs/dbraw/zinc/76/65/53/604766553.db2.gz CRMNXGLBEYDNSE-UHFFFAOYSA-N -1 1 373.413 2.385 20 0 FEADMM COCCC1(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)CCC1 ZINC000828940891 604766555 /nfs/dbraw/zinc/76/65/55/604766555.db2.gz CRMNXGLBEYDNSE-UHFFFAOYSA-N -1 1 373.413 2.385 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000825977657 604797229 /nfs/dbraw/zinc/79/72/29/604797229.db2.gz LUVWNLQYTPJHKB-CRAIPNDOSA-N -1 1 359.470 2.275 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc2c(c1)CCC2 ZINC000826294881 607716350 /nfs/dbraw/zinc/71/63/50/607716350.db2.gz HMDOHOINLLTINB-UHFFFAOYSA-N -1 1 358.405 2.422 20 0 FEADMM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833372369 604866226 /nfs/dbraw/zinc/86/62/26/604866226.db2.gz ROPQYLNVNMGRJM-UHFFFAOYSA-N -1 1 362.345 2.326 20 0 FEADMM Cc1nn(C)c2ncc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)cc12 ZINC000833756448 604868001 /nfs/dbraw/zinc/86/80/01/604868001.db2.gz LEVMTFNOUNGRKC-UHFFFAOYSA-N -1 1 350.338 2.104 20 0 FEADMM CC1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C2=O ZINC000833613404 604869103 /nfs/dbraw/zinc/86/91/03/604869103.db2.gz ZBABLRMSFSRTBB-SHYRYGCCSA-N -1 1 365.474 2.267 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833541031 604900133 /nfs/dbraw/zinc/90/01/33/604900133.db2.gz PTWPUECHORGNMS-KCJUWKMLSA-N -1 1 372.208 2.296 20 0 FEADMM CC(C)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000826966061 604924169 /nfs/dbraw/zinc/92/41/69/604924169.db2.gz KCBUVVPHXOAXJP-UHFFFAOYSA-N -1 1 355.822 2.361 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000833551243 604946582 /nfs/dbraw/zinc/94/65/82/604946582.db2.gz QZTPBMBNDFSWJC-HOCLYGCPSA-N -1 1 360.458 2.113 20 0 FEADMM CC(C)C[C@H]1CCN([C@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833483050 605000318 /nfs/dbraw/zinc/00/03/18/605000318.db2.gz KNJMVAPFHGSNQY-YPMHNXCESA-N -1 1 350.440 2.446 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000833623453 605049426 /nfs/dbraw/zinc/04/94/26/605049426.db2.gz HUOKJBWEHLRCGD-AWEZNQCLSA-N -1 1 365.449 2.294 20 0 FEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c2c(n1)onc2C(C)C ZINC000833742593 605096991 /nfs/dbraw/zinc/09/69/91/605096991.db2.gz QJUGQKPWFWLCMZ-CYBMUJFWSA-N -1 1 374.441 2.276 20 0 FEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1Br ZINC000833742784 605104663 /nfs/dbraw/zinc/10/46/63/605104663.db2.gz VYLQYKZZQKDFBY-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000833622368 605108910 /nfs/dbraw/zinc/10/89/10/605108910.db2.gz PECDEFARANQYFJ-AGIUHOORSA-N -1 1 350.381 2.363 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000833681360 605118427 /nfs/dbraw/zinc/11/84/27/605118427.db2.gz ZBLSMOYNFZRFTP-LLVKDONJSA-N -1 1 366.439 2.299 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000833623158 605161096 /nfs/dbraw/zinc/16/10/96/605161096.db2.gz DYUNRLOECIDGLX-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM CN(CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000833691172 605196680 /nfs/dbraw/zinc/19/66/80/605196680.db2.gz KUMQDUADZVQIHM-CQSZACIVSA-N -1 1 356.875 2.191 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CCN1CCC(=O)[O-] ZINC000833625490 605252620 /nfs/dbraw/zinc/25/26/20/605252620.db2.gz YICRUGOTVJQXAK-CQSZACIVSA-N -1 1 369.421 2.075 20 0 FEADMM C[C@@H]1CCc2c(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)csc2C1 ZINC000833617014 605253400 /nfs/dbraw/zinc/25/34/00/605253400.db2.gz MNEJXUZOBRIFOY-CHWSQXEVSA-N -1 1 350.484 2.494 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833490759 605278318 /nfs/dbraw/zinc/27/83/18/605278318.db2.gz SKPSWEPIWMKUOH-INIZCTEOSA-N -1 1 362.470 2.271 20 0 FEADMM O=C(CN(C(=O)[O-])c1ccccc1)NCc1n[nH]c(-c2ccccc2)n1 ZINC000831450746 605287563 /nfs/dbraw/zinc/28/75/63/605287563.db2.gz GTMWZOYGVXODPC-UHFFFAOYSA-N -1 1 351.366 2.273 20 0 FEADMM O=C(CN(C(=O)[O-])c1ccccc1)NCc1nc(-c2ccccc2)n[nH]1 ZINC000831450746 605287565 /nfs/dbraw/zinc/28/75/65/605287565.db2.gz GTMWZOYGVXODPC-UHFFFAOYSA-N -1 1 351.366 2.273 20 0 FEADMM C[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000833622232 605376146 /nfs/dbraw/zinc/37/61/46/605376146.db2.gz KTKNBHIJDMQBLP-WPGHFRTFSA-N -1 1 356.825 2.257 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC([C@@H]2CCOC2)CC1 ZINC000833404109 605400817 /nfs/dbraw/zinc/40/08/17/605400817.db2.gz GMDASBIHKJIBPG-KBXCAEBGSA-N -1 1 360.454 2.138 20 0 FEADMM O=C([O-])N1CCC[C@H]1CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000834111902 605465354 /nfs/dbraw/zinc/46/53/54/605465354.db2.gz ZHIFNIMZKYYLRG-INIZCTEOSA-N -1 1 367.877 2.479 20 0 FEADMM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000832356361 605539861 /nfs/dbraw/zinc/53/98/61/605539861.db2.gz CCWRZUCRMZNLRV-NEPJUHHUSA-N -1 1 358.402 2.412 20 0 FEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000824299308 605631884 /nfs/dbraw/zinc/63/18/84/605631884.db2.gz DZVRUNMIPZAVQL-KRWDZBQOSA-N -1 1 362.474 2.055 20 0 FEADMM O=C([O-])Nc1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000834259861 605635147 /nfs/dbraw/zinc/63/51/47/605635147.db2.gz HIYVLQINTJPTKA-INIZCTEOSA-N -1 1 354.410 2.452 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)[C@@H]1CCCOC1 ZINC000559070993 674526765 /nfs/dbraw/zinc/52/67/65/674526765.db2.gz HGTQJRXWMRETOE-WBVHZDCISA-N -1 1 369.483 2.081 20 0 FEADMM Cc1oc(-c2cccs2)nc1CONC(=N)[C@H]1COCCN1C(=O)[O-] ZINC000833934339 605730714 /nfs/dbraw/zinc/73/07/14/605730714.db2.gz HAZWJFLUTFZPQU-LLVKDONJSA-N -1 1 366.399 2.089 20 0 FEADMM Cc1nc([C@H]2CCCN(C(=O)[C@H]3c4ccccc4CCN3C(=O)[O-])C2)n[nH]1 ZINC000830735026 605795178 /nfs/dbraw/zinc/79/51/78/605795178.db2.gz OZGJYPUNXLNIBD-GOEBONIOSA-N -1 1 369.425 2.097 20 0 FEADMM O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008227 605807334 /nfs/dbraw/zinc/80/73/34/605807334.db2.gz TVFSFKODMZEOTF-IRXDYDNUSA-N -1 1 361.442 2.089 20 0 FEADMM O=C([O-])N1CCC(C(=O)N[C@H]2CCc3nc[nH]c3C2)(c2ccccc2)CC1 ZINC000834075910 605833167 /nfs/dbraw/zinc/83/31/67/605833167.db2.gz VAUZSEHOHYZVTA-HNNXBMFYSA-N -1 1 368.437 2.095 20 0 FEADMM O=C([O-])NC[C@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000834206721 605965189 /nfs/dbraw/zinc/96/51/89/605965189.db2.gz NLOYDNXKDPMPEJ-IRXDYDNUSA-N -1 1 362.451 2.315 20 0 FEADMM O=C([O-])N[C@H](CC(F)F)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000834135714 606000706 /nfs/dbraw/zinc/00/07/06/606000706.db2.gz ZFEBPJRPQZOGAS-NEPJUHHUSA-N -1 1 359.373 2.214 20 0 FEADMM CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCCc1nn[n-]n1 ZINC000636239272 677115816 /nfs/dbraw/zinc/11/58/16/677115816.db2.gz VVWFTEXBCDZKBO-ZDUSSCGKSA-N -1 1 366.263 2.422 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821447331 606103480 /nfs/dbraw/zinc/10/34/80/606103480.db2.gz JGDXZNMRGQAYPU-ODVCRQGFSA-N -1 1 354.867 2.407 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821447331 606103483 /nfs/dbraw/zinc/10/34/83/606103483.db2.gz JGDXZNMRGQAYPU-ODVCRQGFSA-N -1 1 354.867 2.407 20 0 FEADMM C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820513249 606131650 /nfs/dbraw/zinc/13/16/50/606131650.db2.gz YGRITRDLEXRWDB-MNOVXSKESA-N -1 1 371.422 2.351 20 0 FEADMM C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820513249 606131653 /nfs/dbraw/zinc/13/16/53/606131653.db2.gz YGRITRDLEXRWDB-MNOVXSKESA-N -1 1 371.422 2.351 20 0 FEADMM COC(=O)c1cc(F)ccc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821668079 606132586 /nfs/dbraw/zinc/13/25/86/606132586.db2.gz NNEPDCYIWQOMDC-UHFFFAOYSA-N -1 1 362.342 2.211 20 0 FEADMM COC(=O)c1cc(F)ccc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821668079 606132587 /nfs/dbraw/zinc/13/25/87/606132587.db2.gz NNEPDCYIWQOMDC-UHFFFAOYSA-N -1 1 362.342 2.211 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc(F)c1 ZINC000820512581 606133512 /nfs/dbraw/zinc/13/35/12/606133512.db2.gz MGKJZWCYAFVECE-MRVPVSSYSA-N -1 1 361.358 2.251 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccc(F)c1 ZINC000820512581 606133513 /nfs/dbraw/zinc/13/35/13/606133513.db2.gz MGKJZWCYAFVECE-MRVPVSSYSA-N -1 1 361.358 2.251 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822423369 606136945 /nfs/dbraw/zinc/13/69/45/606136945.db2.gz KJRKZTMDLRSWKQ-UHFFFAOYSA-N -1 1 367.413 2.066 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000820512060 606136993 /nfs/dbraw/zinc/13/69/93/606136993.db2.gz GEKPYJYXFIQYIX-DCAQKATOSA-N -1 1 363.443 2.168 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000820512060 606136994 /nfs/dbraw/zinc/13/69/94/606136994.db2.gz GEKPYJYXFIQYIX-DCAQKATOSA-N -1 1 363.443 2.168 20 0 FEADMM O=C(O[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823392771 606138180 /nfs/dbraw/zinc/13/81/80/606138180.db2.gz UCIPYIFQAYKQFK-LBPRGKRZSA-N -1 1 369.406 2.281 20 0 FEADMM O=C(O[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823392771 606138181 /nfs/dbraw/zinc/13/81/81/606138181.db2.gz UCIPYIFQAYKQFK-LBPRGKRZSA-N -1 1 369.406 2.281 20 0 FEADMM Cc1cccn2cc(CCNc3c4ccccc4nnc3-c3nnn[n-]3)nc12 ZINC000822366625 606139320 /nfs/dbraw/zinc/13/93/20/606139320.db2.gz PXIFPUSZQOTWCR-UHFFFAOYSA-N -1 1 371.408 2.421 20 0 FEADMM Cc1cccn2cc(CCNc3c4ccccc4nnc3-c3nn[n-]n3)nc12 ZINC000822366625 606139321 /nfs/dbraw/zinc/13/93/21/606139321.db2.gz PXIFPUSZQOTWCR-UHFFFAOYSA-N -1 1 371.408 2.421 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000822608356 606167114 /nfs/dbraw/zinc/16/71/14/606167114.db2.gz DHIIOKUYQLAUMQ-UHFFFAOYSA-N -1 1 372.820 2.455 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000822608356 606167115 /nfs/dbraw/zinc/16/71/15/606167115.db2.gz DHIIOKUYQLAUMQ-UHFFFAOYSA-N -1 1 372.820 2.455 20 0 FEADMM CC(C)OCc1cccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820145674 606169542 /nfs/dbraw/zinc/16/95/42/606169542.db2.gz DFWQPDCMVWIUJF-UHFFFAOYSA-N -1 1 356.390 2.169 20 0 FEADMM CC(C)OCc1cccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820145674 606169543 /nfs/dbraw/zinc/16/95/43/606169543.db2.gz DFWQPDCMVWIUJF-UHFFFAOYSA-N -1 1 356.390 2.169 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)c1cnccn1 ZINC000822542048 606205999 /nfs/dbraw/zinc/20/59/99/606205999.db2.gz TWSCOKLHZNNGJY-SNVBAGLBSA-N -1 1 365.353 2.267 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)c1cnccn1 ZINC000822542048 606206000 /nfs/dbraw/zinc/20/60/00/606206000.db2.gz TWSCOKLHZNNGJY-SNVBAGLBSA-N -1 1 365.353 2.267 20 0 FEADMM CC(C)C(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820012054 606216205 /nfs/dbraw/zinc/21/62/05/606216205.db2.gz SKZFJGGMQMGVTK-CYBMUJFWSA-N -1 1 365.441 2.156 20 0 FEADMM CC(C)C(=O)N[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820012054 606216207 /nfs/dbraw/zinc/21/62/07/606216207.db2.gz SKZFJGGMQMGVTK-CYBMUJFWSA-N -1 1 365.441 2.156 20 0 FEADMM COc1ccc(SCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821845981 606292751 /nfs/dbraw/zinc/29/27/51/606292751.db2.gz MXIUCSREMCJLHL-UHFFFAOYSA-N -1 1 357.395 2.312 20 0 FEADMM CC[C@@H](C)CN(CC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820870230 606300240 /nfs/dbraw/zinc/30/02/40/606300240.db2.gz PHNRMNIEWPXJMD-LLVKDONJSA-N -1 1 360.462 2.411 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cnc(C)s2)n[n-]1 ZINC000559289760 674536288 /nfs/dbraw/zinc/53/62/88/674536288.db2.gz FQQXGMCEUTYSHA-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cnc(C)s2)[n-]1 ZINC000559289760 674536289 /nfs/dbraw/zinc/53/62/89/674536289.db2.gz FQQXGMCEUTYSHA-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cnc(C)s2)n1 ZINC000559289760 674536290 /nfs/dbraw/zinc/53/62/90/674536290.db2.gz FQQXGMCEUTYSHA-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM FC(F)(F)CN1CC[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822718212 606457347 /nfs/dbraw/zinc/45/73/47/606457347.db2.gz CHBCCCZURZHVGP-QMMMGPOBSA-N -1 1 361.759 2.211 20 0 FEADMM FC(F)(F)CN1CC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822718212 606457349 /nfs/dbraw/zinc/45/73/49/606457349.db2.gz CHBCCCZURZHVGP-QMMMGPOBSA-N -1 1 361.759 2.211 20 0 FEADMM Clc1ccc(NCc2n[nH]cc2Br)nc1-c1nnn[n-]1 ZINC000822578689 606467335 /nfs/dbraw/zinc/46/73/35/606467335.db2.gz NWXVDSJBKYKUEN-UHFFFAOYSA-N -1 1 355.587 2.013 20 0 FEADMM Clc1ccc(NCc2n[nH]cc2Br)nc1-c1nn[n-]n1 ZINC000822578689 606467336 /nfs/dbraw/zinc/46/73/36/606467336.db2.gz NWXVDSJBKYKUEN-UHFFFAOYSA-N -1 1 355.587 2.013 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820270300 606470028 /nfs/dbraw/zinc/47/00/28/606470028.db2.gz ZSNVEJKLJFMEAF-SECBINFHSA-N -1 1 367.841 2.265 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820270300 606470030 /nfs/dbraw/zinc/47/00/30/606470030.db2.gz ZSNVEJKLJFMEAF-SECBINFHSA-N -1 1 367.841 2.265 20 0 FEADMM Cc1cccc(CCCOCCOC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822304331 606489116 /nfs/dbraw/zinc/48/91/16/606489116.db2.gz SYJOTNCLXZMPMF-UHFFFAOYSA-N -1 1 373.438 2.438 20 0 FEADMM Cc1cccc(CCCOCCOC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822304331 606489117 /nfs/dbraw/zinc/48/91/17/606489117.db2.gz SYJOTNCLXZMPMF-UHFFFAOYSA-N -1 1 373.438 2.438 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821839808 606497179 /nfs/dbraw/zinc/49/71/79/606497179.db2.gz YUFLXHFINZDITB-SECBINFHSA-N -1 1 359.411 2.436 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821839808 606497181 /nfs/dbraw/zinc/49/71/81/606497181.db2.gz YUFLXHFINZDITB-SECBINFHSA-N -1 1 359.411 2.436 20 0 FEADMM O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440089 606499442 /nfs/dbraw/zinc/49/94/42/606499442.db2.gz BWFHFRZEZHYLPH-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440089 606499443 /nfs/dbraw/zinc/49/94/43/606499443.db2.gz BWFHFRZEZHYLPH-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821670306 606500654 /nfs/dbraw/zinc/50/06/54/606500654.db2.gz XIXZKSQJAWWEIZ-UHFFFAOYSA-N -1 1 369.406 2.308 20 0 FEADMM COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821670306 606500655 /nfs/dbraw/zinc/50/06/55/606500655.db2.gz XIXZKSQJAWWEIZ-UHFFFAOYSA-N -1 1 369.406 2.308 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000823483921 606524240 /nfs/dbraw/zinc/52/42/40/606524240.db2.gz PAOZDPCFWDCRDQ-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000823483921 606524241 /nfs/dbraw/zinc/52/42/41/606524241.db2.gz PAOZDPCFWDCRDQ-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM COCCn1ncc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC000821695429 606536018 /nfs/dbraw/zinc/53/60/18/606536018.db2.gz ZDFAEHPEKBFSGQ-UHFFFAOYSA-N -1 1 369.410 2.177 20 0 FEADMM COCCn1ncc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821695429 606536020 /nfs/dbraw/zinc/53/60/20/606536020.db2.gz ZDFAEHPEKBFSGQ-UHFFFAOYSA-N -1 1 369.410 2.177 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000823484257 606548398 /nfs/dbraw/zinc/54/83/98/606548398.db2.gz VISBYMDDJNEIPW-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000823484257 606548400 /nfs/dbraw/zinc/54/84/00/606548400.db2.gz VISBYMDDJNEIPW-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM CN(C)C(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000821578236 606551185 /nfs/dbraw/zinc/55/11/85/606551185.db2.gz UPLFTIDAPULOGF-UHFFFAOYSA-N -1 1 360.374 2.021 20 0 FEADMM CN(C)C(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000821578236 606551188 /nfs/dbraw/zinc/55/11/88/606551188.db2.gz UPLFTIDAPULOGF-UHFFFAOYSA-N -1 1 360.374 2.021 20 0 FEADMM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150458 606564546 /nfs/dbraw/zinc/56/45/46/606564546.db2.gz PPBFFJTVTTUVJS-GFCCVEGCSA-N -1 1 354.439 2.327 20 0 FEADMM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150458 606564548 /nfs/dbraw/zinc/56/45/48/606564548.db2.gz PPBFFJTVTTUVJS-GFCCVEGCSA-N -1 1 354.439 2.327 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCCC[C@@H]2c2ccco2)n1 ZINC000822609598 606597565 /nfs/dbraw/zinc/59/75/65/606597565.db2.gz RPAMJAUNRHGKRG-GFCCVEGCSA-N -1 1 356.390 2.342 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCCC[C@@H]2c2ccco2)n1 ZINC000822609598 606597566 /nfs/dbraw/zinc/59/75/66/606597566.db2.gz RPAMJAUNRHGKRG-GFCCVEGCSA-N -1 1 356.390 2.342 20 0 FEADMM CCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000821465788 606647438 /nfs/dbraw/zinc/64/74/38/606647438.db2.gz PKRBURNQWBRGPG-UHFFFAOYSA-N -1 1 354.370 2.020 20 0 FEADMM CCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000821465788 606647439 /nfs/dbraw/zinc/64/74/39/606647439.db2.gz PKRBURNQWBRGPG-UHFFFAOYSA-N -1 1 354.370 2.020 20 0 FEADMM CCCOc1ccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821133836 606650425 /nfs/dbraw/zinc/65/04/25/606650425.db2.gz GUAYVGRNBJLUES-UHFFFAOYSA-N -1 1 369.381 2.173 20 0 FEADMM CCCOc1ccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821133836 606650426 /nfs/dbraw/zinc/65/04/26/606650426.db2.gz GUAYVGRNBJLUES-UHFFFAOYSA-N -1 1 369.381 2.173 20 0 FEADMM O=C(CSc1nc2ccccc2o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823070787 606650650 /nfs/dbraw/zinc/65/06/50/606650650.db2.gz NVRQJTWARCMERA-UHFFFAOYSA-N -1 1 368.378 2.238 20 0 FEADMM O=C(CSc1nc2ccccc2o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823070787 606650651 /nfs/dbraw/zinc/65/06/51/606650651.db2.gz NVRQJTWARCMERA-UHFFFAOYSA-N -1 1 368.378 2.238 20 0 FEADMM Cc1ccccc1OCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822367041 606651064 /nfs/dbraw/zinc/65/10/64/606651064.db2.gz ZQGKWNCLHXCITK-UHFFFAOYSA-N -1 1 353.382 2.473 20 0 FEADMM Cc1ccccc1OCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822367041 606651065 /nfs/dbraw/zinc/65/10/65/606651065.db2.gz ZQGKWNCLHXCITK-UHFFFAOYSA-N -1 1 353.382 2.473 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000822619665 606684569 /nfs/dbraw/zinc/68/45/69/606684569.db2.gz DNBJNXSQLVQEKU-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000822619665 606684570 /nfs/dbraw/zinc/68/45/70/606684570.db2.gz DNBJNXSQLVQEKU-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(C)n1 ZINC000822242189 606693055 /nfs/dbraw/zinc/69/30/55/606693055.db2.gz DBSLCTRFWHVAMC-UHFFFAOYSA-N -1 1 367.413 2.167 20 0 FEADMM Cc1cccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822303875 606842966 /nfs/dbraw/zinc/84/29/66/606842966.db2.gz NABZKAUWZXPHMR-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM CC[C@]1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820949478 606938070 /nfs/dbraw/zinc/93/80/70/606938070.db2.gz AWNMURSJJIXTPD-CQSZACIVSA-N -1 1 355.851 2.331 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1C1CCCCC1 ZINC000823512655 607035323 /nfs/dbraw/zinc/03/53/23/607035323.db2.gz QLKGIADFKFEEKM-GFCCVEGCSA-N -1 1 361.837 2.261 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1C1CCCCC1 ZINC000823512655 607035325 /nfs/dbraw/zinc/03/53/25/607035325.db2.gz QLKGIADFKFEEKM-GFCCVEGCSA-N -1 1 361.837 2.261 20 0 FEADMM C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820233491 607098206 /nfs/dbraw/zinc/09/82/06/607098206.db2.gz KRHSESZXUXLMNN-SKDRFNHKSA-N -1 1 361.402 2.309 20 0 FEADMM C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820233491 607098208 /nfs/dbraw/zinc/09/82/08/607098208.db2.gz KRHSESZXUXLMNN-SKDRFNHKSA-N -1 1 361.402 2.309 20 0 FEADMM CC(C)NC(=O)Nc1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000820137598 607104081 /nfs/dbraw/zinc/10/40/81/607104081.db2.gz LMFNHIDJPZDSAH-UHFFFAOYSA-N -1 1 372.414 2.105 20 0 FEADMM CC(C)NC(=O)Nc1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000820137598 607104083 /nfs/dbraw/zinc/10/40/83/607104083.db2.gz LMFNHIDJPZDSAH-UHFFFAOYSA-N -1 1 372.414 2.105 20 0 FEADMM O=C(NCCO)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823205959 607192805 /nfs/dbraw/zinc/19/28/05/607192805.db2.gz DKXJSISHQRGWLD-UHFFFAOYSA-N -1 1 359.773 2.035 20 0 FEADMM CC[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825081259 607786455 /nfs/dbraw/zinc/78/64/55/607786455.db2.gz HYPUVZATMVGZPY-LLVKDONJSA-N -1 1 355.402 2.131 20 0 FEADMM CC[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825081259 607786456 /nfs/dbraw/zinc/78/64/56/607786456.db2.gz HYPUVZATMVGZPY-LLVKDONJSA-N -1 1 355.402 2.131 20 0 FEADMM Cc1c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cccc1-c1ccccn1 ZINC000826234821 607861542 /nfs/dbraw/zinc/86/15/42/607861542.db2.gz PIZJDJMGTCVGJF-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM Cc1c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cccc1-c1ccccn1 ZINC000826234821 607861543 /nfs/dbraw/zinc/86/15/43/607861543.db2.gz PIZJDJMGTCVGJF-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM Cc1ccccc1CN(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826306772 607863810 /nfs/dbraw/zinc/86/38/10/607863810.db2.gz LAWSMSIUDLXYPC-UHFFFAOYSA-N -1 1 355.373 2.352 20 0 FEADMM Cc1ccccc1CN(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826306772 607863811 /nfs/dbraw/zinc/86/38/11/607863811.db2.gz LAWSMSIUDLXYPC-UHFFFAOYSA-N -1 1 355.373 2.352 20 0 FEADMM Cc1ccccc1C[C@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826307166 607865254 /nfs/dbraw/zinc/86/52/54/607865254.db2.gz YBROQZUZRQGQHE-ZDUSSCGKSA-N -1 1 369.400 2.440 20 0 FEADMM Cc1ccccc1C[C@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826307166 607865255 /nfs/dbraw/zinc/86/52/55/607865255.db2.gz YBROQZUZRQGQHE-ZDUSSCGKSA-N -1 1 369.400 2.440 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC12CC3CC(CC(C3)C1)C2 ZINC000826418852 607865752 /nfs/dbraw/zinc/86/57/52/607865752.db2.gz YZKNNEQCBAWDLT-UHFFFAOYSA-N -1 1 371.416 2.470 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC12CC3CC(CC(C3)C1)C2 ZINC000826418852 607865753 /nfs/dbraw/zinc/86/57/53/607865753.db2.gz YZKNNEQCBAWDLT-UHFFFAOYSA-N -1 1 371.416 2.470 20 0 FEADMM CC(=O)c1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824029503 607874560 /nfs/dbraw/zinc/87/45/60/607874560.db2.gz LLDZVRRHKKDTTR-CYBMUJFWSA-N -1 1 372.356 2.027 20 0 FEADMM CC(=O)c1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824029503 607874561 /nfs/dbraw/zinc/87/45/61/607874561.db2.gz LLDZVRRHKKDTTR-CYBMUJFWSA-N -1 1 372.356 2.027 20 0 FEADMM CCCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccncc1 ZINC000825356829 607895320 /nfs/dbraw/zinc/89/53/20/607895320.db2.gz LUVQAPUHHZOCTJ-UHFFFAOYSA-N -1 1 365.426 2.476 20 0 FEADMM CCCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccncc1 ZINC000825356829 607895321 /nfs/dbraw/zinc/89/53/21/607895321.db2.gz LUVQAPUHHZOCTJ-UHFFFAOYSA-N -1 1 365.426 2.476 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825213510 607904812 /nfs/dbraw/zinc/90/48/12/607904812.db2.gz ZIKGXQIFIVOLSO-HIFRSBDPSA-N -1 1 365.441 2.474 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825213510 607904813 /nfs/dbraw/zinc/90/48/13/607904813.db2.gz ZIKGXQIFIVOLSO-HIFRSBDPSA-N -1 1 365.441 2.474 20 0 FEADMM O=C([O-])C(F)(F)Oc1ccc(-c2nc3cc(-c4nn[nH]n4)ccc3[nH]2)cc1 ZINC000826460997 607974361 /nfs/dbraw/zinc/97/43/61/607974361.db2.gz AVWCUGWOVSWQOR-UHFFFAOYSA-N -1 1 372.291 2.466 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc2ccc(F)cc2c1 ZINC000826467397 607978196 /nfs/dbraw/zinc/97/81/96/607978196.db2.gz UPIROEXJOZAOKF-UHFFFAOYSA-N -1 1 350.313 2.306 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc2ccc(F)cc2c1 ZINC000826467397 607978197 /nfs/dbraw/zinc/97/81/97/607978197.db2.gz UPIROEXJOZAOKF-UHFFFAOYSA-N -1 1 350.313 2.306 20 0 FEADMM c1cc(-c2nnn[n-]2)nnc1Sc1nnc(NC2CCCCC2)s1 ZINC000826515127 607988497 /nfs/dbraw/zinc/98/84/97/607988497.db2.gz NVFLWJNZQZXAJU-UHFFFAOYSA-N -1 1 361.460 2.404 20 0 FEADMM c1cc(-c2nn[n-]n2)nnc1Sc1nnc(NC2CCCCC2)s1 ZINC000826515127 607988498 /nfs/dbraw/zinc/98/84/98/607988498.db2.gz NVFLWJNZQZXAJU-UHFFFAOYSA-N -1 1 361.460 2.404 20 0 FEADMM CC(C)(C)OC(=O)N1CC(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824104611 608098463 /nfs/dbraw/zinc/09/84/63/608098463.db2.gz VNKMDBWIHBKUPZ-UHFFFAOYSA-N -1 1 365.825 2.194 20 0 FEADMM CC(C)(C)OC(=O)N1CC(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824104611 608098464 /nfs/dbraw/zinc/09/84/64/608098464.db2.gz VNKMDBWIHBKUPZ-UHFFFAOYSA-N -1 1 365.825 2.194 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(c3ccccc3Cl)CC2)n1 ZINC000826356760 608119225 /nfs/dbraw/zinc/11/92/25/608119225.db2.gz DWGRKBPVXRZEJM-UHFFFAOYSA-N -1 1 372.820 2.107 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(c3ccccc3Cl)CC2)n1 ZINC000826356760 608119226 /nfs/dbraw/zinc/11/92/26/608119226.db2.gz DWGRKBPVXRZEJM-UHFFFAOYSA-N -1 1 372.820 2.107 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC12CCC2 ZINC000824961354 608155134 /nfs/dbraw/zinc/15/51/34/608155134.db2.gz BUMKFERLQXKWRS-NSHDSACASA-N -1 1 365.434 2.207 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC12CCC2 ZINC000824961354 608155137 /nfs/dbraw/zinc/15/51/37/608155137.db2.gz BUMKFERLQXKWRS-NSHDSACASA-N -1 1 365.434 2.207 20 0 FEADMM Clc1nsc(Nc2cnn(C[C@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000826354868 608177607 /nfs/dbraw/zinc/17/76/07/608177607.db2.gz YVGSLFCYHZELBB-MRVPVSSYSA-N -1 1 352.811 2.096 20 0 FEADMM Clc1nsc(Nc2cnn(C[C@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000826354868 608177608 /nfs/dbraw/zinc/17/76/08/608177608.db2.gz YVGSLFCYHZELBB-MRVPVSSYSA-N -1 1 352.811 2.096 20 0 FEADMM Cn1c(COC(=O)c2ccc(-c3nnn[n-]3)s2)nnc1-c1ccccc1 ZINC000826355568 608198111 /nfs/dbraw/zinc/19/81/11/608198111.db2.gz FVMKFKUIYUVLNT-UHFFFAOYSA-N -1 1 367.394 2.081 20 0 FEADMM Cn1c(COC(=O)c2ccc(-c3nn[n-]n3)s2)nnc1-c1ccccc1 ZINC000826355568 608198112 /nfs/dbraw/zinc/19/81/12/608198112.db2.gz FVMKFKUIYUVLNT-UHFFFAOYSA-N -1 1 367.394 2.081 20 0 FEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000825000194 608236061 /nfs/dbraw/zinc/23/60/61/608236061.db2.gz NXIKKNQVWJJRTA-NEPJUHHUSA-N -1 1 359.434 2.096 20 0 FEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000825000194 608236063 /nfs/dbraw/zinc/23/60/63/608236063.db2.gz NXIKKNQVWJJRTA-NEPJUHHUSA-N -1 1 359.434 2.096 20 0 FEADMM CN1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CC1=O ZINC000826022822 608347083 /nfs/dbraw/zinc/34/70/83/608347083.db2.gz SPUZZOSPCBMZGN-VIFPVBQESA-N -1 1 362.459 2.033 20 0 FEADMM CN1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CC1=O ZINC000826022822 608347084 /nfs/dbraw/zinc/34/70/84/608347084.db2.gz SPUZZOSPCBMZGN-VIFPVBQESA-N -1 1 362.459 2.033 20 0 FEADMM C[C@@H](Cc1ccc(Br)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824450268 608399442 /nfs/dbraw/zinc/39/94/42/608399442.db2.gz SVUWNXCUWOLCDN-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM C[C@@H](Cc1ccc(Br)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824450268 608399444 /nfs/dbraw/zinc/39/94/44/608399444.db2.gz SVUWNXCUWOLCDN-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000826341089 608476182 /nfs/dbraw/zinc/47/61/82/608476182.db2.gz WBKDVDYWAWLAOZ-PTEHBNRSSA-N -1 1 370.413 2.245 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000826341089 608476183 /nfs/dbraw/zinc/47/61/83/608476183.db2.gz WBKDVDYWAWLAOZ-PTEHBNRSSA-N -1 1 370.413 2.245 20 0 FEADMM CN(CCN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000825937384 608552449 /nfs/dbraw/zinc/55/24/49/608552449.db2.gz BPZSNSKZPUNFOC-UHFFFAOYSA-N -1 1 367.841 2.218 20 0 FEADMM CN(CCN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000825937384 608552447 /nfs/dbraw/zinc/55/24/47/608552447.db2.gz BPZSNSKZPUNFOC-UHFFFAOYSA-N -1 1 367.841 2.218 20 0 FEADMM CC1(C)CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824803406 608562916 /nfs/dbraw/zinc/56/29/16/608562916.db2.gz UNPVFOVCAWEJTF-VIFPVBQESA-N -1 1 355.851 2.377 20 0 FEADMM CC1(C)CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824803406 608562918 /nfs/dbraw/zinc/56/29/18/608562918.db2.gz UNPVFOVCAWEJTF-VIFPVBQESA-N -1 1 355.851 2.377 20 0 FEADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826493273 608668363 /nfs/dbraw/zinc/66/83/63/608668363.db2.gz CCCZDWPMPGVULV-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[nH]n3)ccc12 ZINC000826303935 608754380 /nfs/dbraw/zinc/75/43/80/608754380.db2.gz NEZOVSNIDJPYBH-UHFFFAOYSA-N -1 1 369.410 2.161 20 0 FEADMM Cc1ccc(-c2csc(NC(=O)Cn3ccnc3-c3nnn[n-]3)n2)cc1 ZINC000826273547 608890283 /nfs/dbraw/zinc/89/02/83/608890283.db2.gz IXRGQPJZNGUYJC-UHFFFAOYSA-N -1 1 366.410 2.134 20 0 FEADMM Cc1ccc(-c2csc(NC(=O)Cn3ccnc3-c3nn[n-]n3)n2)cc1 ZINC000826273547 608890284 /nfs/dbraw/zinc/89/02/84/608890284.db2.gz IXRGQPJZNGUYJC-UHFFFAOYSA-N -1 1 366.410 2.134 20 0 FEADMM Clc1cccc(Cl)c1-c1nnc(Cn2ccnc2-c2nnn[n-]2)o1 ZINC000826353560 608894886 /nfs/dbraw/zinc/89/48/86/608894886.db2.gz VCNJCQXYGGEBLD-UHFFFAOYSA-N -1 1 363.168 2.468 20 0 FEADMM Clc1cccc(Cl)c1-c1nnc(Cn2ccnc2-c2nn[n-]n2)o1 ZINC000826353560 608894887 /nfs/dbraw/zinc/89/48/87/608894887.db2.gz VCNJCQXYGGEBLD-UHFFFAOYSA-N -1 1 363.168 2.468 20 0 FEADMM CCCSCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825342957 609292390 /nfs/dbraw/zinc/29/23/90/609292390.db2.gz YZPVPTVLVLXVNZ-UHFFFAOYSA-N -1 1 361.406 2.273 20 0 FEADMM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826493156 609340714 /nfs/dbraw/zinc/34/07/14/609340714.db2.gz WCTQIOQMKAIXTJ-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825499676 609407742 /nfs/dbraw/zinc/40/77/42/609407742.db2.gz QZZLEPIAXDOSGL-GHMZBOCLSA-N -1 1 364.427 2.455 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825499676 609407744 /nfs/dbraw/zinc/40/77/44/609407744.db2.gz QZZLEPIAXDOSGL-GHMZBOCLSA-N -1 1 364.427 2.455 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826104244 609448311 /nfs/dbraw/zinc/44/83/11/609448311.db2.gz SMWFCWTWJVTMIQ-JTQLQIEISA-N -1 1 350.448 2.343 20 0 FEADMM CCOC(=O)[C@@H](CC(C)C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000825485661 609448683 /nfs/dbraw/zinc/44/86/83/609448683.db2.gz IAOVVVOUMNQPFR-LLVKDONJSA-N -1 1 350.448 2.343 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826346412 609469312 /nfs/dbraw/zinc/46/93/12/609469312.db2.gz LTOVGCNSGUOWSU-BTDLBPIBSA-N -1 1 352.398 2.145 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826346412 609469315 /nfs/dbraw/zinc/46/93/15/609469315.db2.gz LTOVGCNSGUOWSU-BTDLBPIBSA-N -1 1 352.398 2.145 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCCc1ccccc1Br ZINC000826501144 609502918 /nfs/dbraw/zinc/50/29/18/609502918.db2.gz BJZPWLZUDRJYLW-UHFFFAOYSA-N -1 1 360.215 2.424 20 0 FEADMM CN(C)[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000825851991 609622561 /nfs/dbraw/zinc/62/25/61/609622561.db2.gz ZQTCIYOZGOEBCT-HNNXBMFYSA-N -1 1 372.816 2.261 20 0 FEADMM CN(C)[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000825851991 609622563 /nfs/dbraw/zinc/62/25/63/609622563.db2.gz ZQTCIYOZGOEBCT-HNNXBMFYSA-N -1 1 372.816 2.261 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1)C(F)(F)F ZINC000810900632 674567368 /nfs/dbraw/zinc/56/73/68/674567368.db2.gz ZYKHRWQTVHHCAK-NSHDSACASA-N -1 1 356.344 2.152 20 0 FEADMM CCOc1cc(C(=O)N2CCC(N3CN=NC3=O)CC2)cc(Cl)c1[O-] ZINC000560689525 674609842 /nfs/dbraw/zinc/60/98/42/674609842.db2.gz UUAMPVDQIZTJDK-UHFFFAOYSA-N -1 1 366.805 2.219 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(OC)c(Cl)c1 ZINC000560649282 674606562 /nfs/dbraw/zinc/60/65/62/674606562.db2.gz KOGAPPCRBNUHDX-AWEZNQCLSA-N -1 1 350.758 2.093 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(OC)cc1 ZINC000560686021 674609453 /nfs/dbraw/zinc/60/94/53/674609453.db2.gz UMZLWZLKNOAQEM-HNNXBMFYSA-N -1 1 371.361 2.166 20 0 FEADMM CCNc1nc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000812277814 674661108 /nfs/dbraw/zinc/66/11/08/674661108.db2.gz ZLUSOSAAQXKHND-VIFPVBQESA-N -1 1 364.393 2.106 20 0 FEADMM O=C([N-]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)C(F)(F)F ZINC000812311224 674665525 /nfs/dbraw/zinc/66/55/25/674665525.db2.gz XGCUQHXLUDPTCP-UHFFFAOYSA-N -1 1 355.316 2.234 20 0 FEADMM COCc1ccccc1CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccsc1 ZINC000561530095 674676197 /nfs/dbraw/zinc/67/61/97/674676197.db2.gz RJCRBJPDPDVJBX-OAHLLOKOSA-N -1 1 369.464 2.228 20 0 FEADMM COCc1noc([C@@H](C)S(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1 ZINC000562593658 674774110 /nfs/dbraw/zinc/77/41/10/674774110.db2.gz UGTUCJKKOYDAPZ-SECBINFHSA-N -1 1 366.374 2.280 20 0 FEADMM COCc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1 ZINC000562593658 674774113 /nfs/dbraw/zinc/77/41/13/674774113.db2.gz UGTUCJKKOYDAPZ-SECBINFHSA-N -1 1 366.374 2.280 20 0 FEADMM CO[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(F)(F)F ZINC000814391060 674840019 /nfs/dbraw/zinc/84/00/19/674840019.db2.gz SAJKWLCYUDMDOK-MRVPVSSYSA-N -1 1 373.740 2.122 20 0 FEADMM Cn1cnc(CCC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000645804249 677271861 /nfs/dbraw/zinc/27/18/61/677271861.db2.gz LHZZIQDXNMBUDF-UHFFFAOYSA-N -1 1 367.233 2.172 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](N3CCCC3=O)C2)c(F)c1 ZINC000563436182 674888100 /nfs/dbraw/zinc/88/81/00/674888100.db2.gz GPCDMPNJAMKSGY-CHWSQXEVSA-N -1 1 372.437 2.485 20 0 FEADMM Cc1cnc(SCCN(Cc2ccccc2)S(C)(=O)=O)[n-]c1=O ZINC000563437686 674889058 /nfs/dbraw/zinc/88/90/58/674889058.db2.gz AUUYTVPCNRGFQA-UHFFFAOYSA-N -1 1 353.469 2.045 20 0 FEADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CCCC(C)(C)C)(C(=O)OC)C1(C)C ZINC000563776399 674937737 /nfs/dbraw/zinc/93/77/37/674937737.db2.gz CWCTUNHHFGGLRB-CXAGYDPISA-N -1 1 363.520 2.479 20 0 FEADMM O=C(COC(=O)COc1ccc(Cl)c(F)c1)[N-]C(=O)c1ccccc1 ZINC000815300694 674940101 /nfs/dbraw/zinc/94/01/01/674940101.db2.gz ZHBHQZXCEONXKJ-UHFFFAOYSA-N -1 1 365.744 2.358 20 0 FEADMM Cn1[n-]c(CN2CCCC[C@H]2Cc2ccccc2Br)nc1=O ZINC000563817250 674942369 /nfs/dbraw/zinc/94/23/69/674942369.db2.gz HIFJQSOPEWEYQY-ZDUSSCGKSA-N -1 1 365.275 2.468 20 0 FEADMM COc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1NS(C)(=O)=O ZINC000564295169 674991426 /nfs/dbraw/zinc/99/14/26/674991426.db2.gz WUZKDNHMGBMLIT-UHFFFAOYSA-N -1 1 372.349 2.303 20 0 FEADMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2nc3ccccc3s2)C1(C)C ZINC000564447403 675020316 /nfs/dbraw/zinc/02/03/16/675020316.db2.gz SKVZTYOJBOZXDP-CJNGLKHVSA-N -1 1 370.496 2.141 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(F)cc2Cl)C(=O)[N-]C1=S ZINC000009769474 669984193 /nfs/dbraw/zinc/98/41/93/669984193.db2.gz RLNWPIGIPCTKNC-WQLSENKSSA-N -1 1 371.821 2.055 20 0 FEADMM CCC(Nc1cc(C)cc(C)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009769825 669984300 /nfs/dbraw/zinc/98/43/00/669984300.db2.gz UGCIOBSVQQNSMM-PFONDFGASA-N -1 1 361.467 2.269 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccccc2C(C)C)C(=O)[N-]C1=S ZINC000009769123 669984521 /nfs/dbraw/zinc/98/45/21/669984521.db2.gz ZILGBXGLAPZARR-QINSGFPZSA-N -1 1 361.467 2.386 20 0 FEADMM COC[C@H](C)NC(=S)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000016317214 670018445 /nfs/dbraw/zinc/01/84/45/670018445.db2.gz GEAZOTVZJQSRFK-JTQLQIEISA-N -1 1 364.496 2.262 20 0 FEADMM O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(Br)ccc1[O-] ZINC000016497149 670020224 /nfs/dbraw/zinc/02/02/24/670020224.db2.gz CXSGUHISMWQUJW-UHFFFAOYSA-N -1 1 367.174 2.298 20 0 FEADMM CCONC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000017821502 670025260 /nfs/dbraw/zinc/02/52/60/670025260.db2.gz IKMZEXONTFHTKS-UHFFFAOYSA-N -1 1 350.396 2.177 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(C)=O)c2)cc1 ZINC000025457297 670062342 /nfs/dbraw/zinc/06/23/42/670062342.db2.gz RHAFCYGAAUGIPM-UHFFFAOYSA-N -1 1 363.391 2.242 20 0 FEADMM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000030356788 670107931 /nfs/dbraw/zinc/10/79/31/670107931.db2.gz RVELEADJZILULN-UHFFFAOYSA-N -1 1 357.863 2.382 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)o1 ZINC000031552858 670122647 /nfs/dbraw/zinc/12/26/47/670122647.db2.gz HJXZGULOZIMHEZ-UHFFFAOYSA-N -1 1 374.802 2.111 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564967980 675083049 /nfs/dbraw/zinc/08/30/49/675083049.db2.gz TVSSSVLYOSWQIE-RISCZKNCSA-N -1 1 354.834 2.007 20 0 FEADMM Cc1ccccc1SCC(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000039488523 670140625 /nfs/dbraw/zinc/14/06/25/670140625.db2.gz NHGGLAYHPAOFLX-UHFFFAOYSA-N -1 1 364.448 2.153 20 0 FEADMM COc1cc[n-]c(=NNC(=O)c2cnc(SC)n2-c2ccccc2)n1 ZINC000046364011 670221817 /nfs/dbraw/zinc/22/18/17/670221817.db2.gz 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ZINC000063307737 670406424 /nfs/dbraw/zinc/40/64/24/670406424.db2.gz GKDMGBNUNGBEBH-JYRVWZFOSA-N -1 1 364.404 2.179 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)N1CCSCC1)C(F)(F)F ZINC000817149187 675105443 /nfs/dbraw/zinc/10/54/43/675105443.db2.gz BRVNKPMQDMKGOA-LBPRGKRZSA-N -1 1 373.400 2.265 20 0 FEADMM C[C@H](CC(=O)NCc1n[n-]c(=S)n1C1CC1)NC(=O)C1CCCCC1 ZINC000066638263 670445715 /nfs/dbraw/zinc/44/57/15/670445715.db2.gz UFFLDSKWWDLGKS-LLVKDONJSA-N -1 1 365.503 2.367 20 0 FEADMM CCC[C@H](C)N1C[C@H](C(=O)NCc2n[n-]c(=S)n2C(C)C)CC1=O ZINC000066639662 670445913 /nfs/dbraw/zinc/44/59/13/670445913.db2.gz RICCVBIQRCQFOI-NWDGAFQWSA-N -1 1 353.492 2.175 20 0 FEADMM CC(=O)NCc1ccc(C(=O)NCCc2n[n-]c(=S)n2C(C)C)s1 ZINC000067074988 670452727 /nfs/dbraw/zinc/45/27/27/670452727.db2.gz OEKURQZRHVCDFX-UHFFFAOYSA-N -1 1 367.500 2.192 20 0 FEADMM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067093472 670453366 /nfs/dbraw/zinc/45/33/66/670453366.db2.gz XZQRHNGHMUJUOP-LLVKDONJSA-N -1 1 369.491 2.238 20 0 FEADMM CCn1c(CCNC(=O)c2ccc3c(c2O)OC(C)(C)C3)n[n-]c1=S ZINC000067119183 670453878 /nfs/dbraw/zinc/45/38/78/670453878.db2.gz FVYOTLLSAKYXFY-UHFFFAOYSA-N -1 1 362.455 2.352 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3c(C)cccc3C2)o1 ZINC000565390181 675117209 /nfs/dbraw/zinc/11/72/09/675117209.db2.gz GEAMDXKDSYXLSU-ZDUSSCGKSA-N -1 1 365.407 2.047 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2)nc1 ZINC000569508831 670571426 /nfs/dbraw/zinc/57/14/26/670571426.db2.gz OOZVYEZMYLJXSR-UHFFFAOYSA-N -1 1 360.395 2.231 20 0 FEADMM Cc1ccnc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000817293975 675118545 /nfs/dbraw/zinc/11/85/45/675118545.db2.gz OOLHNYRRBSPKPE-CYBMUJFWSA-N -1 1 350.344 2.395 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1CC[C@@H]1CCOC1=O)C(F)(F)F ZINC000817293198 675118648 /nfs/dbraw/zinc/11/86/48/675118648.db2.gz KUIDPLIVQZBGJO-DGCLKSJQSA-N -1 1 356.344 2.049 20 0 FEADMM Cc1cc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)ncn1 ZINC000817294544 675118905 /nfs/dbraw/zinc/11/89/05/675118905.db2.gz SBKBXRSACQWIJH-CQSZACIVSA-N -1 1 350.344 2.395 20 0 FEADMM Cc1oc(-c2cccs2)nc1CC(=O)NCCc1n[n-]c(=S)n1C ZINC000078502251 670587832 /nfs/dbraw/zinc/58/78/32/670587832.db2.gz CYSOERXRUMTXAA-UHFFFAOYSA-N -1 1 363.468 2.404 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cc(Cl)c1[O-] ZINC000569789714 670612452 /nfs/dbraw/zinc/61/24/52/670612452.db2.gz FFLWYOXWLBKNDE-HUUCEWRRSA-N -1 1 368.861 2.427 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc([S@@](=O)C(F)(F)F)cc1)OC ZINC000817353032 675124068 /nfs/dbraw/zinc/12/40/68/675124068.db2.gz MIRROFNUZLDEEN-CHNSCGDPSA-N -1 1 359.391 2.481 20 0 FEADMM COC(=O)c1nc[nH]c1NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000565489205 675126378 /nfs/dbraw/zinc/12/63/78/675126378.db2.gz PIFCDPOSKVOTEH-SECBINFHSA-N -1 1 350.400 2.108 20 0 FEADMM CCn1c(CNC(=O)c2ncccc2OCC(F)(F)F)n[n-]c1=S ZINC000084188538 670665811 /nfs/dbraw/zinc/66/58/11/670665811.db2.gz QIVGHAAWPOAKOU-UHFFFAOYSA-N -1 1 361.349 2.227 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)Nc1cnn(-c2ccccn2)c1 ZINC000085602048 670680966 /nfs/dbraw/zinc/68/09/66/670680966.db2.gz KDZDMGABPVILCN-UHFFFAOYSA-N -1 1 356.415 2.178 20 0 FEADMM CC[C@H]1Cc2c(Br)cccc2CN1Cc1nc(=O)n(C)[n-]1 ZINC000570589910 670736423 /nfs/dbraw/zinc/73/64/23/670736423.db2.gz QDLBWRGJPDFBJP-NSHDSACASA-N -1 1 351.248 2.208 20 0 FEADMM O=C([N-]OCCC1CC1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000817446144 675134210 /nfs/dbraw/zinc/13/42/10/675134210.db2.gz HVDNCEQKYSVXHN-AWEZNQCLSA-N -1 1 366.845 2.415 20 0 FEADMM O=C(Cc1ccoc1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489388 675137981 /nfs/dbraw/zinc/13/79/81/675137981.db2.gz ACKWFRFAHRSSBP-CYBMUJFWSA-N -1 1 352.312 2.459 20 0 FEADMM C[C@@]1(C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CCCO1 ZINC000817490037 675138146 /nfs/dbraw/zinc/13/81/46/675138146.db2.gz KZWDQIWXHIWRAV-LRDDRELGSA-N -1 1 356.344 2.192 20 0 FEADMM COC(C)(C)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489848 675138214 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Cc1noc(C)c1CCS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000573889192 671177514 /nfs/dbraw/zinc/17/75/14/671177514.db2.gz UBFWFZWZLCIRGH-UHFFFAOYSA-N -1 1 350.375 2.232 20 0 FEADMM Cc1noc(C)c1CCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000573889192 671177518 /nfs/dbraw/zinc/17/75/18/671177518.db2.gz UBFWFZWZLCIRGH-UHFFFAOYSA-N -1 1 350.375 2.232 20 0 FEADMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)C(=O)OC ZINC000574274005 671221105 /nfs/dbraw/zinc/22/11/05/671221105.db2.gz ZMXMFKFHMLZZDJ-BPUTZDHNSA-N -1 1 357.472 2.271 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000574468165 671243813 /nfs/dbraw/zinc/24/38/13/671243813.db2.gz NLCUQRHDMAKDOL-UHFFFAOYSA-N -1 1 360.395 2.440 20 0 FEADMM O=C([O-])Cn1cc(CCN2CCC[C@@H](Oc3ccccc3Cl)C2)nn1 ZINC000576046548 671340490 /nfs/dbraw/zinc/34/04/90/671340490.db2.gz RXKVGMMCRJKTFH-CQSZACIVSA-N -1 1 364.833 2.102 20 0 FEADMM CCCOc1ccc(C(C)(C)[N-]S(=O)(=O)c2c(C)onc2N)cc1 ZINC000576984738 671408795 /nfs/dbraw/zinc/40/87/95/671408795.db2.gz MJLJPUHVXMWHKI-UHFFFAOYSA-N -1 1 353.444 2.568 20 0 FEADMM COCc1nc(NC(=O)c2c(F)ccc([O-])c2F)sc1C(=O)OC ZINC000577423553 671595188 /nfs/dbraw/zinc/59/51/88/671595188.db2.gz MGKWBNFIKDAQEQ-UHFFFAOYSA-N -1 1 358.322 2.312 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCc2ccccc21 ZINC000577438196 671595849 /nfs/dbraw/zinc/59/58/49/671595849.db2.gz NSHHZXWNCYFADD-AWEZNQCLSA-N -1 1 359.373 2.411 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000577467991 671597759 /nfs/dbraw/zinc/59/77/59/671597759.db2.gz UBJGFUATLIEZQK-TVYUQYBPSA-N -1 1 364.247 2.328 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C)cc3Br)ccc2O1 ZINC000578131874 671643305 /nfs/dbraw/zinc/64/33/05/671643305.db2.gz AWNOINUOQZKAFS-MRVPVSSYSA-N -1 1 372.244 2.307 20 0 FEADMM COc1ccc(NC(=O)Nc2cnn(C(C)C)c2)cc1[N-]S(C)(=O)=O ZINC000578335743 671658029 /nfs/dbraw/zinc/65/80/29/671658029.db2.gz PMWYLCHRFGNHNI-UHFFFAOYSA-N -1 1 367.431 2.488 20 0 FEADMM Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000578429779 671664656 /nfs/dbraw/zinc/66/46/56/671664656.db2.gz FTBPHJXRFGZLNI-XJKSGUPXSA-N -1 1 361.423 2.365 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000579715562 671755642 /nfs/dbraw/zinc/75/56/42/671755642.db2.gz CUOZZEWFCOWSIM-SNVBAGLBSA-N -1 1 363.464 2.496 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3ccccc3C2)c1 ZINC000580200739 671790045 /nfs/dbraw/zinc/79/00/45/671790045.db2.gz GOPNDBIZGUJGDB-AWEZNQCLSA-N -1 1 360.435 2.044 20 0 FEADMM CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000581431280 671896450 /nfs/dbraw/zinc/89/64/50/671896450.db2.gz DCDHHJHJZQGBTF-GFCCVEGCSA-N -1 1 353.419 2.095 20 0 FEADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000581488339 671902776 /nfs/dbraw/zinc/90/27/76/671902776.db2.gz CZQVWINQXWLJKL-NXEZZACHSA-N -1 1 356.325 2.132 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCO)c2)c1 ZINC000121460305 671949932 /nfs/dbraw/zinc/94/99/32/671949932.db2.gz YSKGDUYDUYRGJM-AWEZNQCLSA-N -1 1 362.451 2.297 20 0 FEADMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121604727 671953428 /nfs/dbraw/zinc/95/34/28/671953428.db2.gz JTFLLNRBAZFIPM-ZJUUUORDSA-N -1 1 359.220 2.462 20 0 FEADMM O=S(=O)([N-]c1ccncc1F)c1c(F)cccc1OC(F)(F)F ZINC000582026162 671960291 /nfs/dbraw/zinc/96/02/91/671960291.db2.gz VZXQEBAVZLNBMJ-UHFFFAOYSA-N -1 1 354.256 2.481 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCOc1ccccc1)c1ccccc1 ZINC000582090014 671966856 /nfs/dbraw/zinc/96/68/56/671966856.db2.gz HCEPUBXMHXTHRS-QGZVFWFLSA-N -1 1 363.435 2.289 20 0 FEADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc([C@@H]2CCCOC2)n[nH]1 ZINC000582122794 671970452 /nfs/dbraw/zinc/97/04/52/671970452.db2.gz ZWVFKVICDYRKGF-GFCCVEGCSA-N -1 1 351.428 2.422 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C)CCC2)c(Br)o1 ZINC000123385501 671979233 /nfs/dbraw/zinc/97/92/33/671979233.db2.gz VJLAPGVJZISRHG-UHFFFAOYSA-N -1 1 366.233 2.297 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)cc(Cl)c1[O-] ZINC000582285365 671985399 /nfs/dbraw/zinc/98/53/99/671985399.db2.gz RAHSQQRCHIKZAQ-DGCLKSJQSA-N -1 1 352.818 2.328 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C[C@H]1C(=O)[O-] ZINC000582299342 671987649 /nfs/dbraw/zinc/98/76/49/671987649.db2.gz IGCLLUNCAPDAPI-WQVCFCJDSA-N -1 1 351.422 2.181 20 0 FEADMM O=C([O-])c1cn(C2CCN(CCOc3ccc(F)cc3Cl)CC2)nn1 ZINC000582371718 671995556 /nfs/dbraw/zinc/99/55/56/671995556.db2.gz KEEWVIVDLYXXQK-UHFFFAOYSA-N -1 1 368.796 2.485 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]2CCCCN12 ZINC000582654986 672022315 /nfs/dbraw/zinc/02/23/15/672022315.db2.gz YFQRWZBYYCVLEZ-BXKDBHETSA-N -1 1 363.266 2.425 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C2CC2)C(C)(C)CO)c(=O)[n-]1 ZINC000582794558 672034793 /nfs/dbraw/zinc/03/47/93/672034793.db2.gz DNZHEFDRYKAACL-AWEZNQCLSA-N -1 1 353.488 2.058 20 0 FEADMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000582882161 672042859 /nfs/dbraw/zinc/04/28/59/672042859.db2.gz RMBOCPKQFWOPPA-BBRMVZONSA-N -1 1 361.423 2.365 20 0 FEADMM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000582886668 672043210 /nfs/dbraw/zinc/04/32/10/672043210.db2.gz XPWVDTBWSMWVET-SNVBAGLBSA-N -1 1 360.892 2.082 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCCCOc1cccc(OC)c1 ZINC000128589734 672050654 /nfs/dbraw/zinc/05/06/54/672050654.db2.gz XFYZACVVAWSHEW-UHFFFAOYSA-N -1 1 364.471 2.487 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(C(=O)[N-]n2cnc3ccccc3c2=O)c1 ZINC000130019453 672069575 /nfs/dbraw/zinc/06/95/75/672069575.db2.gz VZIYEBCQVIKTJH-UHFFFAOYSA-N -1 1 356.769 2.392 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000583487393 672099569 /nfs/dbraw/zinc/09/95/69/672099569.db2.gz WRMDZYBPBBXBRG-HIFRSBDPSA-N -1 1 353.850 2.449 20 0 FEADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccccc2F)nc1C ZINC000610549913 675979879 /nfs/dbraw/zinc/97/98/79/675979879.db2.gz VFZWMEUWZNUZMN-UHFFFAOYSA-N -1 1 358.416 2.246 20 0 FEADMM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(Br)cc1[O-] ZINC000135231592 672131051 /nfs/dbraw/zinc/13/10/51/672131051.db2.gz NUFCNGQSULWWCN-UHFFFAOYSA-N -1 1 364.261 2.050 20 0 FEADMM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H]3CN(CC(C)C)CCO3)c12 ZINC000584175455 672163251 /nfs/dbraw/zinc/16/32/51/672163251.db2.gz ZOOZZHSVLKICIS-LBPRGKRZSA-N -1 1 364.471 2.467 20 0 FEADMM CCCS(=O)(=O)[N-]C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000154015538 672208889 /nfs/dbraw/zinc/20/88/89/672208889.db2.gz BGSOZAZAVDJSKK-OAHLLOKOSA-N -1 1 352.500 2.186 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO1 ZINC000584723322 672209745 /nfs/dbraw/zinc/20/97/45/672209745.db2.gz PCNWSSRUCNIZQI-XJKSGUPXSA-N -1 1 360.435 2.395 20 0 FEADMM CCc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)C(F)(F)Oc1ccccc1 ZINC000154068570 672209910 /nfs/dbraw/zinc/20/99/10/672209910.db2.gz ZFKBCINKHCAKFO-UHFFFAOYSA-N -1 1 372.759 2.069 20 0 FEADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc21 ZINC000584741021 672211135 /nfs/dbraw/zinc/21/11/35/672211135.db2.gz LXDYFIAKNAGJHV-UHFFFAOYSA-N -1 1 366.349 2.400 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)c1Cl ZINC000154601546 672218913 /nfs/dbraw/zinc/21/89/13/672218913.db2.gz NULBLZMNONEFGR-UHFFFAOYSA-N -1 1 364.254 2.222 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(OCC(F)(F)F)n2)n1 ZINC000585681755 672224714 /nfs/dbraw/zinc/22/47/14/672224714.db2.gz KRKMHDGKMRWGJF-UHFFFAOYSA-N -1 1 358.276 2.175 20 0 FEADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cccs1 ZINC000156323872 672244866 /nfs/dbraw/zinc/24/48/66/672244866.db2.gz LSSDPOGRHSJOQD-LBPRGKRZSA-N -1 1 368.411 2.342 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cnn(-c2ccccc2)n1 ZINC000156325974 672244888 /nfs/dbraw/zinc/24/48/88/672244888.db2.gz KVTGZEPVYQAZNS-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM O=C([N-]O[C@@H]1CCCCO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000157962261 672264372 /nfs/dbraw/zinc/26/43/72/672264372.db2.gz RDXLYUDXHQIWLL-CQSZACIVSA-N -1 1 367.199 2.479 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)c1ccco1)c1sccc1Br ZINC000159136915 672278098 /nfs/dbraw/zinc/27/80/98/672278098.db2.gz GWVBPCFOXOACQW-MRVPVSSYSA-N -1 1 352.231 2.116 20 0 FEADMM COc1cc(Cl)ccc1C(=O)N[N-]C(=O)c1cnc(C(F)(F)F)nc1 ZINC000159825038 672285496 /nfs/dbraw/zinc/28/54/96/672285496.db2.gz DXWUXNBWWCNWBV-UHFFFAOYSA-N -1 1 374.706 2.232 20 0 FEADMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178745960 672394636 /nfs/dbraw/zinc/39/46/36/672394636.db2.gz QPHSRRASONDOPR-NSHDSACASA-N -1 1 371.684 2.183 20 0 FEADMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2ccccc2c1O ZINC000180783620 672418110 /nfs/dbraw/zinc/41/81/10/672418110.db2.gz PWEJBMGMEZJJRD-UHFFFAOYSA-N -1 1 360.713 2.443 20 0 FEADMM C[S@](=O)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000181080678 672421621 /nfs/dbraw/zinc/42/16/21/672421621.db2.gz IKYZKBIIGJKCKT-QHCPKHFHSA-N -1 1 370.427 2.187 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c1 ZINC000611083025 676015625 /nfs/dbraw/zinc/01/56/25/676015625.db2.gz UNVHHUXLVFBTHV-NSHDSACASA-N -1 1 357.771 2.132 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H]1CCCCO1 ZINC000679054364 672462773 /nfs/dbraw/zinc/46/27/73/672462773.db2.gz LVLFXNJHMSCDJP-NEPJUHHUSA-N -1 1 358.460 2.044 20 0 FEADMM CCOc1ncccc1C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588677300 672471025 /nfs/dbraw/zinc/47/10/25/672471025.db2.gz SEDNYNLRHVMNDW-UHFFFAOYSA-N -1 1 358.366 2.246 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C2(c3noc(C)n3)CCCC2)c(F)c1 ZINC000588678763 672471096 /nfs/dbraw/zinc/47/10/96/672471096.db2.gz VYYHGBPQNWELGQ-UHFFFAOYSA-N -1 1 373.381 2.413 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c(F)c1 ZINC000588685707 672472265 /nfs/dbraw/zinc/47/22/65/672472265.db2.gz RYRWTNWHBACDOJ-UHFFFAOYSA-N -1 1 374.340 2.030 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000679202557 672475988 /nfs/dbraw/zinc/47/59/88/672475988.db2.gz JTHAWVLZFIBCCZ-UHFFFAOYSA-N -1 1 369.617 2.270 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC2CCN(C3CC3)CC2)c1Cl ZINC000184895677 672510539 /nfs/dbraw/zinc/51/05/39/672510539.db2.gz RAWXKWZQBPMSKM-UHFFFAOYSA-N -1 1 372.874 2.252 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1 ZINC000589434554 672525543 /nfs/dbraw/zinc/52/55/43/672525543.db2.gz GSWKPCOPIOEMHJ-UHFFFAOYSA-N -1 1 355.437 2.041 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000589594221 672533402 /nfs/dbraw/zinc/53/34/02/672533402.db2.gz HJXUBUHFVVYKBE-UHFFFAOYSA-N -1 1 363.317 2.324 20 0 FEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1CCCNC(=O)C(F)(F)F ZINC000187452510 672569090 /nfs/dbraw/zinc/56/90/90/672569090.db2.gz GFMFLFPEJQINEW-TXEJJXNPSA-N -1 1 367.412 2.385 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@@]12CCCO2 ZINC000680538839 672585226 /nfs/dbraw/zinc/58/52/26/672585226.db2.gz QSESCJRISWOIDD-KFWWJZLASA-N -1 1 365.373 2.109 20 0 FEADMM O=C(Cn1cc(Br)ccc1=O)Nc1nc(Cl)ccc1[O-] ZINC000188360013 672589551 /nfs/dbraw/zinc/58/95/51/672589551.db2.gz YRSZSPDLXZQNOD-UHFFFAOYSA-N -1 1 358.579 2.004 20 0 FEADMM N#Cc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1[O-] ZINC000188599499 672593687 /nfs/dbraw/zinc/59/36/87/672593687.db2.gz XZSCABDTUUOZTP-MRXNPFEDSA-N -1 1 350.296 2.444 20 0 FEADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1O ZINC000680809602 672602690 /nfs/dbraw/zinc/60/26/90/672602690.db2.gz JBKXCDYTCRSEHD-UHFFFAOYSA-N -1 1 367.448 2.140 20 0 FEADMM COc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc(Cl)c1[O-] ZINC000680844166 672605829 /nfs/dbraw/zinc/60/58/29/672605829.db2.gz JZRGQCIWKPOPOG-LBPRGKRZSA-N -1 1 370.858 2.190 20 0 FEADMM COc1ccc(NC(=O)C[C@@H](C)n2cccc2)cc1[N-]S(C)(=O)=O ZINC000591094722 672649669 /nfs/dbraw/zinc/64/96/69/672649669.db2.gz MTRARQWVHJKSHT-GFCCVEGCSA-N -1 1 351.428 2.458 20 0 FEADMM CCc1nc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)co1 ZINC000681355729 672652238 /nfs/dbraw/zinc/65/22/38/672652238.db2.gz GXNWKGIYGVUHBG-GFCCVEGCSA-N -1 1 350.741 2.062 20 0 FEADMM COc1cc(C)[n-]c(=NNC(=O)c2cccc(Br)c2F)n1 ZINC000192143976 672682971 /nfs/dbraw/zinc/68/29/71/672682971.db2.gz IDAJQPVQXDXIKN-UHFFFAOYSA-N -1 1 355.167 2.452 20 0 FEADMM O=C(C[C@@H]1CCCOC1)N[N-]C(=O)c1cc(F)ccc1Br ZINC000193151013 672714283 /nfs/dbraw/zinc/71/42/83/672714283.db2.gz ZEPIWAGGBHESQO-VIFPVBQESA-N -1 1 359.195 2.166 20 0 FEADMM O=C(NCc1nn[n-]n1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000682003389 672723685 /nfs/dbraw/zinc/72/36/85/672723685.db2.gz NQCCBULHQRTWCH-UHFFFAOYSA-N -1 1 353.260 2.288 20 0 FEADMM CSC1(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCOCC1 ZINC000592035660 672738438 /nfs/dbraw/zinc/73/84/38/672738438.db2.gz KKVKQLRTQRBHJR-UHFFFAOYSA-N -1 1 370.418 2.291 20 0 FEADMM CCC[C@@H](C[N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OCC ZINC000592048517 672742509 /nfs/dbraw/zinc/74/25/09/672742509.db2.gz SIZOXXHDXWNYGC-JTQLQIEISA-N -1 1 368.377 2.358 20 0 FEADMM CCNC(=O)NC1(C(=O)Nc2nc(Br)ccc2[O-])CCCC1 ZINC000194572967 672762776 /nfs/dbraw/zinc/76/27/76/672762776.db2.gz ZMZJRKIZNIZTMF-UHFFFAOYSA-N -1 1 371.235 2.120 20 0 FEADMM O=C([O-])CC[C@@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000263065531 672926742 /nfs/dbraw/zinc/92/67/42/672926742.db2.gz GDFFFMDFYGMGLV-AWEZNQCLSA-N -1 1 368.861 2.412 20 0 FEADMM CCCN(CC(=O)[O-])Cc1cn(-c2ccccc2Br)nn1 ZINC000263421150 672932697 /nfs/dbraw/zinc/93/26/97/672932697.db2.gz OXMNTFYYTUHCSB-UHFFFAOYSA-N -1 1 353.220 2.326 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)C[C@@]2(CCOC2)O1 ZINC000684525405 672938670 /nfs/dbraw/zinc/93/86/70/672938670.db2.gz LFDMEPCDQXQPKG-MEBBXXQBSA-N -1 1 356.216 2.175 20 0 FEADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(OC)c3)ccc2[nH]1 ZINC000684535960 672939637 /nfs/dbraw/zinc/93/96/37/672939637.db2.gz GPPFRXASSPNJRE-UHFFFAOYSA-N -1 1 359.407 2.337 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000684603427 672948570 /nfs/dbraw/zinc/94/85/70/672948570.db2.gz YRFGYBGXLKEWPP-WDEREUQCSA-N -1 1 353.304 2.007 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CN(C)CCO1 ZINC000684762548 672963733 /nfs/dbraw/zinc/96/37/33/672963733.db2.gz HZDLGCGZTVDDOO-QPUJVOFHSA-N -1 1 371.261 2.130 20 0 FEADMM COC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000593646076 672969382 /nfs/dbraw/zinc/96/93/82/672969382.db2.gz RXPAZIHTKSXBTF-UHFFFAOYSA-N -1 1 370.330 2.020 20 0 FEADMM O=C1NCCN(Cc2ncccc2[O-])[C@H]1c1ccccc1Br ZINC000685420066 673009851 /nfs/dbraw/zinc/00/98/51/673009851.db2.gz FDORSJFCYPTXLR-HNNXBMFYSA-N -1 1 362.227 2.223 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000324397666 673046036 /nfs/dbraw/zinc/04/60/36/673046036.db2.gz AISYMVPYRYMZCM-CQSZACIVSA-N -1 1 354.472 2.014 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)N(C)C)c1 ZINC000326388797 673052764 /nfs/dbraw/zinc/05/27/64/673052764.db2.gz KPVVUZDIIIOMOY-HUUCEWRRSA-N -1 1 351.447 2.096 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCCSC)c1F ZINC000594450709 673074037 /nfs/dbraw/zinc/07/40/37/673074037.db2.gz SMXAZJHFYQTPIL-UHFFFAOYSA-N -1 1 355.840 2.297 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCSC2)c1F ZINC000594454544 673074373 /nfs/dbraw/zinc/07/43/73/673074373.db2.gz GZVLBRADNHXPIK-MRVPVSSYSA-N -1 1 353.824 2.050 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c1F ZINC000594456700 673075089 /nfs/dbraw/zinc/07/50/89/673075089.db2.gz BSVZAGFRVRLGCN-VIFPVBQESA-N -1 1 367.851 2.440 20 0 FEADMM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC000721494071 673082535 /nfs/dbraw/zinc/08/25/35/673082535.db2.gz SCUOEHNXGYACRK-ZDUSSCGKSA-N -1 1 359.451 2.435 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cn1C ZINC000612781380 676097683 /nfs/dbraw/zinc/09/76/83/676097683.db2.gz CLUYKCDNERMDDH-UHFFFAOYSA-N -1 1 354.432 2.023 20 0 FEADMM O=C(Cc1ccc(Br)cc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612818889 676099710 /nfs/dbraw/zinc/09/97/10/676099710.db2.gz YURUOWNZQPZHQJ-SNVBAGLBSA-N -1 1 368.210 2.050 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(F)cc2C)o1 ZINC000594800606 673147494 /nfs/dbraw/zinc/14/74/94/673147494.db2.gz HMLWWRGXOSHJPT-LLVKDONJSA-N -1 1 355.387 2.423 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)C12CCCC2 ZINC000595316154 673222430 /nfs/dbraw/zinc/22/24/30/673222430.db2.gz CPZNVLQQTXFFHB-STQMWFEESA-N -1 1 371.455 2.391 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](C)c2c(C)noc2C)cc1C ZINC000595322736 673224035 /nfs/dbraw/zinc/22/40/35/673224035.db2.gz OEOBWCYZMYJNEE-VIFPVBQESA-N -1 1 356.400 2.061 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(Cc2ccccc2)C2CC2)co1 ZINC000457011849 673247856 /nfs/dbraw/zinc/24/78/56/673247856.db2.gz HIWDRQFMOFTKFJ-GOSISDBHSA-N -1 1 362.451 2.329 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(OC)ccn1 ZINC000730302511 673269727 /nfs/dbraw/zinc/26/97/27/673269727.db2.gz CGLGAFQFYJZOQV-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3[nH]2)c1Cl ZINC000731906098 673347349 /nfs/dbraw/zinc/34/73/49/673347349.db2.gz OZQUJDPLKBBCMR-UHFFFAOYSA-N -1 1 360.226 2.082 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000613475477 676130689 /nfs/dbraw/zinc/13/06/89/676130689.db2.gz PMIVDWLNJNZFSJ-SECBINFHSA-N -1 1 356.352 2.160 20 0 FEADMM COC(=O)[C@@H](CN=c1nc(C2CCOCC2)[n-]s1)c1ccc(F)cc1 ZINC000596211409 673368271 /nfs/dbraw/zinc/36/82/71/673368271.db2.gz RPRPFVOQJVYAJN-AWEZNQCLSA-N -1 1 365.430 2.362 20 0 FEADMM Cc1cc(NCCNC(=O)c2cc(Br)ccc2[O-])n(C)n1 ZINC000537723106 673403142 /nfs/dbraw/zinc/40/31/42/673403142.db2.gz UFOYRCTXGBQUEX-UHFFFAOYSA-N -1 1 353.220 2.039 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000538746205 673455580 /nfs/dbraw/zinc/45/55/80/673455580.db2.gz DZIAZEYFPBHMIC-ZSBIGDGJSA-N -1 1 356.444 2.209 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CO)C2CCCCC2)c(=O)[n-]1 ZINC000538882785 673464569 /nfs/dbraw/zinc/46/45/69/673464569.db2.gz CBEJHKBTPALBHC-CQSZACIVSA-N -1 1 353.488 2.203 20 0 FEADMM C[S@@](=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000735081210 673481047 /nfs/dbraw/zinc/48/10/47/673481047.db2.gz RXEXWLFMJXAMDH-QGZVFWFLSA-N -1 1 350.676 2.304 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539324692 673484107 /nfs/dbraw/zinc/48/41/07/673484107.db2.gz BQPFEAFAAWIILX-NSHDSACASA-N -1 1 355.320 2.161 20 0 FEADMM O=C(CSc1nccc2ccccc21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539328355 673484122 /nfs/dbraw/zinc/48/41/22/673484122.db2.gz VPWHANCLCXKHMF-CYBMUJFWSA-N -1 1 354.439 2.246 20 0 FEADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1c(F)ccc([O-])c1F ZINC000539383297 673486978 /nfs/dbraw/zinc/48/69/78/673486978.db2.gz FNFFAIMOVGUUJL-UHFFFAOYSA-N -1 1 369.389 2.405 20 0 FEADMM CCCC(=O)NC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000735295844 673489489 /nfs/dbraw/zinc/48/94/89/673489489.db2.gz BCNZRSQRCKHVMF-UHFFFAOYSA-N -1 1 360.487 2.341 20 0 FEADMM Cc1ccc(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)c1 ZINC000539707253 673502451 /nfs/dbraw/zinc/50/24/51/673502451.db2.gz XDDMJVFIJMLVJW-UHFFFAOYSA-N -1 1 366.464 2.387 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cn1 ZINC000539856297 673509829 /nfs/dbraw/zinc/50/98/29/673509829.db2.gz WEFVNOFQZOMRQQ-UHFFFAOYSA-N -1 1 368.386 2.218 20 0 FEADMM COc1ccc(-c2nnc(Sc3nc4c(cnn4C)c(=O)[n-]3)o2)cc1 ZINC000539994552 673518702 /nfs/dbraw/zinc/51/87/02/673518702.db2.gz KTLXCJFSYGCFGU-UHFFFAOYSA-N -1 1 356.367 2.279 20 0 FEADMM CCN(CC)[C@@H](C(=O)OCc1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736534476 673530151 /nfs/dbraw/zinc/53/01/51/673530151.db2.gz PCIUDPKPRBCGFD-CYBMUJFWSA-N -1 1 357.336 2.345 20 0 FEADMM COC(=O)c1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000540250417 673531161 /nfs/dbraw/zinc/53/11/61/673531161.db2.gz HDRBARPZUGOIBS-UHFFFAOYSA-N -1 1 366.370 2.236 20 0 FEADMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000542766177 673603618 /nfs/dbraw/zinc/60/36/18/673603618.db2.gz FMZOSSGYUUBRMS-SNVBAGLBSA-N -1 1 360.443 2.139 20 0 FEADMM CCN(C(=O)CN1CC[C@H](CNC(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000739382784 673631410 /nfs/dbraw/zinc/63/14/10/673631410.db2.gz VCXQPNLLMBRMHQ-UONOGXRCSA-N -1 1 351.422 2.325 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)CCCCC1 ZINC000599217380 673642501 /nfs/dbraw/zinc/64/25/01/673642501.db2.gz BUACFFQSDQRTQT-OAHLLOKOSA-N -1 1 373.446 2.309 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1F ZINC000599275018 673652005 /nfs/dbraw/zinc/65/20/05/673652005.db2.gz JTQAEDGVWHWZQU-JTQLQIEISA-N -1 1 365.423 2.315 20 0 FEADMM C/C=C\C[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1)C(=O)OCC ZINC000599276985 673652285 /nfs/dbraw/zinc/65/22/85/673652285.db2.gz DNOZVMZFYWXFEX-ANIZGFEYSA-N -1 1 373.446 2.331 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000599278912 673652656 /nfs/dbraw/zinc/65/26/56/673652656.db2.gz MMKRMCDQOORFTA-SSDOTTSWSA-N -1 1 361.288 2.046 20 0 FEADMM C[S@](=O)CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740926271 673661473 /nfs/dbraw/zinc/66/14/73/673661473.db2.gz IHBJBIKLZGDWNZ-DEOSSOPVSA-N -1 1 356.444 2.238 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1F ZINC000599363353 673664146 /nfs/dbraw/zinc/66/41/46/673664146.db2.gz PTXRUZZJEFXTME-MXWKQRLJSA-N -1 1 359.394 2.466 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000599468313 673679654 /nfs/dbraw/zinc/67/96/54/673679654.db2.gz MIOKJZOAOXOLET-BYCMXARLSA-N -1 1 367.810 2.336 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1cc(F)c(F)c(F)c1 ZINC000741650027 673693035 /nfs/dbraw/zinc/69/30/35/673693035.db2.gz UTEWZXVPFWDMIW-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM COc1cccc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1Cl ZINC000614389811 676172998 /nfs/dbraw/zinc/17/29/98/676172998.db2.gz PQUOILSKWDXPJS-NSHDSACASA-N -1 1 351.790 2.386 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1O ZINC000742231286 673714851 /nfs/dbraw/zinc/71/48/51/673714851.db2.gz PDZJUEQIHIGRCF-UHFFFAOYSA-N -1 1 359.400 2.044 20 0 FEADMM CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OC ZINC000742338696 673723991 /nfs/dbraw/zinc/72/39/91/673723991.db2.gz PQQBWOQKDKYVPG-UHFFFAOYSA-N -1 1 355.243 2.399 20 0 FEADMM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000544736745 673729971 /nfs/dbraw/zinc/72/99/71/673729971.db2.gz HGGBCKBYHLWWDK-LLVKDONJSA-N -1 1 357.439 2.409 20 0 FEADMM C[C@H](c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1ccncc1 ZINC000545101843 673744869 /nfs/dbraw/zinc/74/48/69/673744869.db2.gz RWZNBLHKVZGJOM-JTQLQIEISA-N -1 1 350.425 2.156 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1F ZINC000600668732 673790115 /nfs/dbraw/zinc/79/01/15/673790115.db2.gz UROISZGSBOVJBU-UHFFFAOYSA-N -1 1 357.338 2.153 20 0 FEADMM CN(CC(=O)NCc1ccco1)C(=O)c1ccc(Br)cc1[O-] ZINC000744305615 673792095 /nfs/dbraw/zinc/79/20/95/673792095.db2.gz GNGHYYLMGYCTMV-UHFFFAOYSA-N -1 1 367.199 2.136 20 0 FEADMM CN(Cc1cnccn1)C(=O)c1ccc(I)c([O-])c1 ZINC000546201731 673797113 /nfs/dbraw/zinc/79/71/13/673797113.db2.gz VNJUZZKFDIIJEO-UHFFFAOYSA-N -1 1 369.162 2.059 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(F)(F)C(F)F)o1 ZINC000744718973 673808430 /nfs/dbraw/zinc/80/84/30/673808430.db2.gz OTGPCNFCPZZVSH-UHFFFAOYSA-N -1 1 361.313 2.414 20 0 FEADMM Cc1noc([C@@H](C)NC(=O)c2ccc(I)c([O-])c2)n1 ZINC000546871648 673824004 /nfs/dbraw/zinc/82/40/04/673824004.db2.gz BXKDZJCVCUDCCK-ZCFIWIBFSA-N -1 1 373.150 2.179 20 0 FEADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)CCC(C)(F)F ZINC000601286272 673837858 /nfs/dbraw/zinc/83/78/58/673837858.db2.gz JZSHFTARSGIYCS-CQSZACIVSA-N -1 1 374.409 2.217 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC[C@H]2CNc3ccccc32)cc1C ZINC000601345886 673845960 /nfs/dbraw/zinc/84/59/60/673845960.db2.gz ZVYLLUXOSFKLPD-LBPRGKRZSA-N -1 1 364.423 2.252 20 0 FEADMM Cc1ccc(OS(=O)(=O)c2c[n-]cn2)c(I)c1 ZINC000745940457 673858056 /nfs/dbraw/zinc/85/80/56/673858056.db2.gz CGEPORACUCAQLP-UHFFFAOYSA-N -1 1 364.164 2.090 20 0 FEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cnnn2)c(C)c1 ZINC000547703721 673882659 /nfs/dbraw/zinc/88/26/59/673882659.db2.gz RICFJDKSYPSYQD-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM O=C(NC[C@H](CO)Cc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000548387234 673954981 /nfs/dbraw/zinc/95/49/81/673954981.db2.gz BLTZCHJGFCFFHA-GFCCVEGCSA-N -1 1 354.328 2.387 20 0 FEADMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)n1 ZINC000548734891 673991206 /nfs/dbraw/zinc/99/12/06/673991206.db2.gz GMNRDTBKUFJEDR-UHFFFAOYSA-N -1 1 367.847 2.654 20 0 FEADMM CN(C)[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cc1 ZINC000566468960 675216972 /nfs/dbraw/zinc/21/69/72/675216972.db2.gz BXFSAMHELBWQQB-OCCSQVGLSA-N -1 1 364.833 2.438 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)c2)sc1C ZINC000566656333 675232194 /nfs/dbraw/zinc/23/21/94/675232194.db2.gz NHBKPXKRZUATQX-UHFFFAOYSA-N -1 1 367.496 2.075 20 0 FEADMM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1c(F)ccc([O-])c1F ZINC000566705600 675236172 /nfs/dbraw/zinc/23/61/72/675236172.db2.gz NGNRATGASQSDOZ-UHFFFAOYSA-N -1 1 368.361 2.463 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC000566953724 675255483 /nfs/dbraw/zinc/25/54/83/675255483.db2.gz YDQDXTPTGLDJNL-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)CC2 ZINC000615478474 676216403 /nfs/dbraw/zinc/21/64/03/676216403.db2.gz OXKQVEMOHKWKAK-NSHDSACASA-N -1 1 353.802 2.470 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\[C@@H]2CCCO2)c1 ZINC000819456547 675291865 /nfs/dbraw/zinc/29/18/65/675291865.db2.gz BDIQNWSXVOTWBO-SZNGSJQDSA-N -1 1 368.455 2.096 20 0 FEADMM COC(=O)c1ccc(C(=O)Oc2cc([S@@](C)=O)c(C)cc2OC)[n-]1 ZINC000819679422 675308653 /nfs/dbraw/zinc/30/86/53/675308653.db2.gz YIQFVVUYNHXNBU-XMMPIXPASA-N -1 1 351.380 2.075 20 0 FEADMM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000819876199 675318012 /nfs/dbraw/zinc/31/80/12/675318012.db2.gz RZYNCXMRZXOTLT-CQSZACIVSA-N -1 1 357.378 2.294 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC[C@@H](CN2CCOCC2)C1 ZINC000568201251 675358190 /nfs/dbraw/zinc/35/81/90/675358190.db2.gz KYVTUIQVHFBUPD-LBPRGKRZSA-N -1 1 358.360 2.205 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2noc(C(C)(C)C)n2)c1 ZINC000820878982 675396385 /nfs/dbraw/zinc/39/63/85/675396385.db2.gz ULJQMHYSARETNZ-XMMPIXPASA-N -1 1 352.412 2.227 20 0 FEADMM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1cc(Br)sc1Cl ZINC000568943586 675411750 /nfs/dbraw/zinc/41/17/50/675411750.db2.gz DQRBIXXBRSTIPH-FBMACHJBSA-N -1 1 358.666 2.087 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2nnc(C3CC3)s2)c1 ZINC000821351389 675429064 /nfs/dbraw/zinc/42/90/64/675429064.db2.gz BKFNSSVCTDKUBQ-QHCPKHFHSA-N -1 1 352.437 2.275 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000821360642 675429972 /nfs/dbraw/zinc/42/99/72/675429972.db2.gz WDTPETNCDIHLCE-YMXBGEKHSA-N -1 1 367.467 2.183 20 0 FEADMM CCOc1ccccc1[C@@](N)(C(=O)[N-]C1=NC[C@H](C)S1)C(F)(F)F ZINC000822480938 675487493 /nfs/dbraw/zinc/48/74/93/675487493.db2.gz HIUPBXPKMVLKBD-LKFCYVNXSA-N -1 1 361.389 2.409 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ncccc1Br)c1nccs1 ZINC000656958849 677886946 /nfs/dbraw/zinc/88/69/46/677886946.db2.gz IOHOUZIVXGDLDC-MRVPVSSYSA-N -1 1 362.274 2.383 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000824345930 675596827 /nfs/dbraw/zinc/59/68/27/675596827.db2.gz OYQKIRGTUAFVKG-FMKGYKFTSA-N -1 1 362.392 2.392 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@@H]21 ZINC000824993654 675632453 /nfs/dbraw/zinc/63/24/53/675632453.db2.gz RCEBBNNQFMRWIS-IXPVHAAZSA-N -1 1 365.434 2.205 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]12 ZINC000824993649 675632493 /nfs/dbraw/zinc/63/24/93/675632493.db2.gz RCEBBNNQFMRWIS-HCKVZZMMSA-N -1 1 365.434 2.205 20 0 FEADMM Cn1nc(C(F)(F)F)cc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000825949364 675675446 /nfs/dbraw/zinc/67/54/46/675675446.db2.gz SNLFYABHYZQNLW-SECBINFHSA-N -1 1 372.313 2.329 20 0 FEADMM COC(=O)C1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCCC1 ZINC000826123318 675682990 /nfs/dbraw/zinc/68/29/90/675682990.db2.gz CINKHVZHCZTITD-UHFFFAOYSA-N -1 1 350.810 2.451 20 0 FEADMM COC(=O)C1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCCC1 ZINC000826123318 675682992 /nfs/dbraw/zinc/68/29/92/675682992.db2.gz CINKHVZHCZTITD-UHFFFAOYSA-N -1 1 350.810 2.451 20 0 FEADMM CC(C)N1C(=S)N=NC1CCNC(=O)c1ncc2ccccc2c1[O-] ZINC000826962697 675719801 /nfs/dbraw/zinc/71/98/01/675719801.db2.gz NPJGTWBKKKWBTC-UHFFFAOYSA-N -1 1 357.439 2.374 20 0 FEADMM C[C@@H]1CCN(Cc2nn(C)c3ccccc23)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849996 675783234 /nfs/dbraw/zinc/78/32/34/675783234.db2.gz LCUZWSSJNDHOGN-YPMHNXCESA-N -1 1 354.376 2.462 20 0 FEADMM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000827980053 675790152 /nfs/dbraw/zinc/79/01/52/675790152.db2.gz ZGKJYRTZCLBVHS-SNVBAGLBSA-N -1 1 365.459 2.051 20 0 FEADMM COCCS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440623 675815062 /nfs/dbraw/zinc/81/50/62/675815062.db2.gz XFFSILQHUHYPMW-UHFFFAOYSA-N -1 1 353.371 2.204 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)ccc1C ZINC000605495860 675816287 /nfs/dbraw/zinc/81/62/87/675816287.db2.gz QKZMFQLARCUYEI-UHFFFAOYSA-N -1 1 361.423 2.162 20 0 FEADMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000605534258 675818160 /nfs/dbraw/zinc/81/81/60/675818160.db2.gz JARZJFZFNPODEI-UHFFFAOYSA-N -1 1 366.449 2.317 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2c(C)nn(C)c2C)c(F)c1 ZINC000608034098 675882578 /nfs/dbraw/zinc/88/25/78/675882578.db2.gz FJBOIZUITULWMJ-SECBINFHSA-N -1 1 373.425 2.233 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000608436565 675890602 /nfs/dbraw/zinc/89/06/02/675890602.db2.gz DBSSGXBSKIQQMM-UHFFFAOYSA-N -1 1 357.395 2.460 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccncc1 ZINC000615837517 676231660 /nfs/dbraw/zinc/23/16/60/676231660.db2.gz TYTYNGFUMJJBFC-ZDUSSCGKSA-N -1 1 364.785 2.483 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@@](C)(C3CC3)C2)c(=O)[n-]1 ZINC000617402458 676283672 /nfs/dbraw/zinc/28/36/72/676283672.db2.gz JEHRJUPXOBBTGC-QGZVFWFLSA-N -1 1 351.472 2.173 20 0 FEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CS1(=O)=O ZINC000618323999 676333180 /nfs/dbraw/zinc/33/31/80/676333180.db2.gz PUBHKAXNHZXCPX-PSASIEDQSA-N -1 1 351.346 2.107 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCC(C)(C)c2ccccc2)o1 ZINC000619587704 676386563 /nfs/dbraw/zinc/38/65/63/676386563.db2.gz UIFLKBDFKMZITA-UHFFFAOYSA-N -1 1 350.440 2.285 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N(C)C(C)(C)CC)CC2)n1 ZINC000619595012 676387038 /nfs/dbraw/zinc/38/70/38/676387038.db2.gz UWBOSIJMUGLFDW-UHFFFAOYSA-N -1 1 351.451 2.401 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCc2c(C)nc(SC)nc2C)[n-]1 ZINC000619864995 676397527 /nfs/dbraw/zinc/39/75/27/676397527.db2.gz DYPMVMASDDUNHT-UHFFFAOYSA-N -1 1 363.443 2.286 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCc2c(C)nc(SC)nc2C)n1 ZINC000619864995 676397528 /nfs/dbraw/zinc/39/75/28/676397528.db2.gz DYPMVMASDDUNHT-UHFFFAOYSA-N -1 1 363.443 2.286 20 0 FEADMM CC(C)CO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000620304682 676412882 /nfs/dbraw/zinc/41/28/82/676412882.db2.gz GRDZZOLOORGXOK-CYBMUJFWSA-N -1 1 370.471 2.176 20 0 FEADMM CC12CC(C1)CN2C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000621209020 676446225 /nfs/dbraw/zinc/44/62/25/676446225.db2.gz AXWOCKPFHUIHKH-UHFFFAOYSA-N -1 1 363.266 2.283 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CCc3cccnc32)c(=O)[n-]1 ZINC000623311007 676529402 /nfs/dbraw/zinc/52/94/02/676529402.db2.gz GPHGAOBCIRECST-ZDUSSCGKSA-N -1 1 358.467 2.386 20 0 FEADMM O=S(=O)([N-]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1 ZINC000625328188 676639529 /nfs/dbraw/zinc/63/95/29/676639529.db2.gz POPNYCIRLZHPCV-LLVKDONJSA-N -1 1 355.288 2.243 20 0 FEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000677996506 679708613 /nfs/dbraw/zinc/70/86/13/679708613.db2.gz MOZUSIWLYFJWLT-UHFFFAOYSA-N -1 1 360.443 2.131 20 0 FEADMM CSc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccn1 ZINC000678030483 679711023 /nfs/dbraw/zinc/71/10/23/679711023.db2.gz KKLIRTALAABJBO-UHFFFAOYSA-N -1 1 351.409 2.049 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2n[nH]c(C)n2)cc1)C1CC1 ZINC000629288513 676840989 /nfs/dbraw/zinc/84/09/89/676840989.db2.gz JAKCXKALCMFVLF-HNNXBMFYSA-N -1 1 350.444 2.337 20 0 FEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000629379076 676852665 /nfs/dbraw/zinc/85/26/65/676852665.db2.gz BHHVULWWDZIBBL-NSHDSACASA-N -1 1 354.332 2.401 20 0 FEADMM Cc1cc(O[C@@H](C)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1Cl ZINC000630223147 676888114 /nfs/dbraw/zinc/88/81/14/676888114.db2.gz KGUIRLCCPXSAIV-KBPBESRZSA-N -1 1 368.861 2.423 20 0 FEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631185135 676936700 /nfs/dbraw/zinc/93/67/00/676936700.db2.gz BDMXTBNPDOMUCH-MRXNPFEDSA-N -1 1 360.841 2.404 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000631242901 676938919 /nfs/dbraw/zinc/93/89/19/676938919.db2.gz VQHGDDVUFYPVPL-AWEZNQCLSA-N -1 1 350.846 2.449 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)sn1 ZINC000631745426 676954937 /nfs/dbraw/zinc/95/49/37/676954937.db2.gz ISCMGKYIPQNUBF-UHFFFAOYSA-N -1 1 351.453 2.057 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)N1CCc2ccccc21 ZINC000631880416 676961652 /nfs/dbraw/zinc/96/16/52/676961652.db2.gz UULDYYIUHAZUHT-UHFFFAOYSA-N -1 1 356.350 2.085 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)c1ccc(C)o1 ZINC000632059997 676973655 /nfs/dbraw/zinc/97/36/55/676973655.db2.gz ZEHFNEPJKFGQEE-JTQLQIEISA-N -1 1 367.349 2.006 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000632124605 676977114 /nfs/dbraw/zinc/97/71/14/676977114.db2.gz IUTOVNZTTAFTOO-GFCCVEGCSA-N -1 1 373.496 2.124 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N(CCc2nccs2)C(C)C)c1 ZINC000632141669 676978102 /nfs/dbraw/zinc/97/81/02/676978102.db2.gz WTRIOVRPQPMEJA-UHFFFAOYSA-N -1 1 356.469 2.499 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1c[nH]nc1C(F)(F)F ZINC000632140698 676978140 /nfs/dbraw/zinc/97/81/40/676978140.db2.gz GODVOEOBSJYEPV-MKPLZMMCSA-N -1 1 365.377 2.055 20 0 FEADMM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1)c1c[nH]nc1C(F)(F)F ZINC000632176936 676979969 /nfs/dbraw/zinc/97/99/69/676979969.db2.gz GYSCJYFEPBMAFB-VIFPVBQESA-N -1 1 369.752 2.094 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)c1 ZINC000632188739 676980714 /nfs/dbraw/zinc/98/07/14/676980714.db2.gz TZAWTVSNHKDHED-UONOGXRCSA-N -1 1 353.440 2.313 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)sn1 ZINC000632255928 676984022 /nfs/dbraw/zinc/98/40/22/676984022.db2.gz HHSQIVBEHSNGOT-ONGXEEELSA-N -1 1 358.407 2.213 20 0 FEADMM COCCN(Cc1scnc1C)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000632285346 676985753 /nfs/dbraw/zinc/98/57/53/676985753.db2.gz OETKVYBGWIWQBS-UHFFFAOYSA-N -1 1 372.468 2.003 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)sn1 ZINC000632295139 676986494 /nfs/dbraw/zinc/98/64/94/676986494.db2.gz DAPDYSRUOFUBAZ-LSDHHAIUSA-N -1 1 360.464 2.472 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC000678478280 679730472 /nfs/dbraw/zinc/73/04/72/679730472.db2.gz HSJOCRZNQUUZJQ-UHFFFAOYSA-N -1 1 366.464 2.273 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(Br)cn2)sn1 ZINC000632363813 676990260 /nfs/dbraw/zinc/99/02/60/676990260.db2.gz AFUYMCBUQICPSY-ZETCQYMHSA-N -1 1 363.262 2.044 20 0 FEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]Cc1nc(C(F)F)no1 ZINC000632481285 676997010 /nfs/dbraw/zinc/99/70/10/676997010.db2.gz NBTSVYFWQVUMGF-UHFFFAOYSA-N -1 1 355.725 2.419 20 0 FEADMM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(C)ns1)COCc1ccccc1 ZINC000632549717 677001537 /nfs/dbraw/zinc/00/15/37/677001537.db2.gz FDUYOTIBOCPRRO-INIZCTEOSA-N -1 1 370.496 2.352 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)C(F)F ZINC000830074768 677023844 /nfs/dbraw/zinc/02/38/44/677023844.db2.gz XAEPCFKMYNOCKZ-JTQLQIEISA-N -1 1 354.806 2.364 20 0 FEADMM CC1(C)CN(C(=O)CCc2nn[n-]n2)c2ccc(Br)cc21 ZINC000633020335 677027179 /nfs/dbraw/zinc/02/71/79/677027179.db2.gz TVGOFUOJEDFOGL-UHFFFAOYSA-N -1 1 350.220 2.219 20 0 FEADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1c[nH]nc1Cl ZINC000830134764 677027188 /nfs/dbraw/zinc/02/71/88/677027188.db2.gz UVDGHPYGZDBJNV-AAEUAGOBSA-N -1 1 359.810 2.401 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCN(c2cccc(F)c2)C1)c1c[nH]nc1Cl ZINC000830540367 677046052 /nfs/dbraw/zinc/04/60/52/677046052.db2.gz ULYLLRDEMPYHIO-LLVKDONJSA-N -1 1 358.826 2.150 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccc2n[n-]c(=S)n2c1 ZINC000830699694 677055679 /nfs/dbraw/zinc/05/56/79/677055679.db2.gz CYXCQBJQYCHRQB-VHSXEESVSA-N -1 1 360.361 2.248 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000830719480 677057311 /nfs/dbraw/zinc/05/73/11/677057311.db2.gz ZADQFRJWRRNXOF-DTWKUNHWSA-N -1 1 365.377 2.442 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)Oc1ccc(Cl)cc1 ZINC000830740109 677058763 /nfs/dbraw/zinc/05/87/63/677058763.db2.gz QJPPSMUFSMUVSY-QMMMGPOBSA-N -1 1 350.227 2.462 20 0 FEADMM CCO[C@@H](C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)C1CCCC1 ZINC000830783980 677060387 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FEADMM COCC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(N)=O ZINC000843574381 681009629 /nfs/dbraw/zinc/00/96/29/681009629.db2.gz PXWHZWRGZGLUSE-VIFPVBQESA-N -1 1 355.168 2.092 20 0 FEADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000770860548 681029782 /nfs/dbraw/zinc/02/97/82/681029782.db2.gz FSQVCROCDCPUQC-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1C ZINC000844648414 681070790 /nfs/dbraw/zinc/07/07/90/681070790.db2.gz ZQOOGMVFIANDRQ-HNNXBMFYSA-N -1 1 356.444 2.427 20 0 FEADMM Cc1nc(Cl)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)n1 ZINC001054972330 681120757 /nfs/dbraw/zinc/12/07/57/681120757.db2.gz JQPUALKOWPOSJW-WOPDTQHZSA-N -1 1 359.817 2.079 20 0 FEADMM COC(=O)N1CCC[C@@H]([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000773063600 681123697 /nfs/dbraw/zinc/12/36/97/681123697.db2.gz UFEAXCDVCHKDJE-GHMZBOCLSA-N -1 1 362.398 2.110 20 0 FEADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000773158613 681128223 /nfs/dbraw/zinc/12/82/23/681128223.db2.gz IRVWWYNYMVMCHU-JQWIXIFHSA-N -1 1 367.862 2.246 20 0 FEADMM Cc1cc(Br)c(CC(=O)[N-]OCCN2CCCC2=O)s1 ZINC000912629132 685409634 /nfs/dbraw/zinc/40/96/34/685409634.db2.gz LBIDIPRDCFCVOK-UHFFFAOYSA-N -1 1 361.261 2.032 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)s1 ZINC000845974749 681167904 /nfs/dbraw/zinc/16/79/04/681167904.db2.gz MQPUWEHWJHBKSO-WDEREUQCSA-N -1 1 355.844 2.085 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)s1 ZINC000845974748 681167934 /nfs/dbraw/zinc/16/79/34/681167934.db2.gz MQPUWEHWJHBKSO-QWRGUYRKSA-N -1 1 355.844 2.085 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc(C(C)(C)C)s2)co1 ZINC000774536518 681201435 /nfs/dbraw/zinc/20/14/35/681201435.db2.gz SLGQGOMVQMVCIG-UHFFFAOYSA-N -1 1 358.441 2.299 20 0 FEADMM O=C([O-])c1cnn(C2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)c1 ZINC000846284590 681219344 /nfs/dbraw/zinc/21/93/44/681219344.db2.gz DQDCISCZAQUHHT-INIZCTEOSA-N -1 1 351.353 2.230 20 0 FEADMM O=C(/C=C/c1cnc2ccccc2n1)OCCC[N-]C(=O)C(F)(F)F ZINC000774896501 681247127 /nfs/dbraw/zinc/24/71/27/681247127.db2.gz OCYWDIPKHNUAPE-VOTSOKGWSA-N -1 1 353.300 2.255 20 0 FEADMM Cc1nc2ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc2nc1C ZINC000774908859 681249213 /nfs/dbraw/zinc/24/92/13/681249213.db2.gz QOSHEQXYZWUHEK-UHFFFAOYSA-N -1 1 355.316 2.472 20 0 FEADMM CCOC(=O)[C@](C)([N-]C(=O)C(F)(F)c1nccs1)c1cccnc1 ZINC000847042109 681323989 /nfs/dbraw/zinc/32/39/89/681323989.db2.gz RAVHBBLAQKDNOR-CQSZACIVSA-N -1 1 355.366 2.225 20 0 FEADMM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000775746853 681331851 /nfs/dbraw/zinc/33/18/51/681331851.db2.gz ROXLCNZOHPHSBZ-QWHCGFSZSA-N -1 1 355.847 2.307 20 0 FEADMM COCCCCCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847301928 681360696 /nfs/dbraw/zinc/36/06/96/681360696.db2.gz CIUYHXRSKINSSL-VXGBXAGGSA-N -1 1 353.385 2.044 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cccc1N(C)C ZINC000776091961 681362542 /nfs/dbraw/zinc/36/25/42/681362542.db2.gz QJPVTXBGZWQHQZ-UHFFFAOYSA-N -1 1 361.423 2.193 20 0 FEADMM CC(C)OCCCCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847350310 681367360 /nfs/dbraw/zinc/36/73/60/681367360.db2.gz LTNZCPHCFOZCOI-CHWSQXEVSA-N -1 1 367.412 2.433 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1cc(C)no1 ZINC000777048392 681457045 /nfs/dbraw/zinc/45/70/45/681457045.db2.gz UVICRCCKLQBPJK-UHFFFAOYSA-N -1 1 366.395 2.174 20 0 FEADMM CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000848339639 681523262 /nfs/dbraw/zinc/52/32/62/681523262.db2.gz LPPRUUUADJCXKA-FVCCEPFGSA-N -1 1 350.381 2.250 20 0 FEADMM CNC(=O)c1cccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000777960222 681548393 /nfs/dbraw/zinc/54/83/93/681548393.db2.gz AGQTXCUHUBQQBX-UHFFFAOYSA-N -1 1 374.249 2.227 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(N=S2(=O)CCCC2)cc1 ZINC000848462374 681553246 /nfs/dbraw/zinc/55/32/46/681553246.db2.gz FFPRFAFKVHUFJM-UHFFFAOYSA-N -1 1 355.441 2.379 20 0 FEADMM CSCC[C@H](NC(=O)c1cc(C(F)(F)F)cnc1C)c1nn[n-]n1 ZINC000912858648 685457273 /nfs/dbraw/zinc/45/72/73/685457273.db2.gz XBVABHIYGUUDSS-JTQLQIEISA-N -1 1 360.365 2.146 20 0 FEADMM CSCC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1nn[n-]n1 ZINC000912860468 685459574 /nfs/dbraw/zinc/45/95/74/685459574.db2.gz VKUKWCDPDRPTPH-JTQLQIEISA-N -1 1 361.349 2.323 20 0 FEADMM CSCC[C@H](NC(=O)c1cc(Cl)c(Cl)nc1C)c1nn[n-]n1 ZINC000912862528 685461497 /nfs/dbraw/zinc/46/14/97/685461497.db2.gz PBABKGBNKXZEGR-VIFPVBQESA-N -1 1 361.258 2.434 20 0 FEADMM CSCC[C@H](NC(=O)c1ccc(OC(F)F)c(F)c1)c1nn[n-]n1 ZINC000912863372 685462143 /nfs/dbraw/zinc/46/21/43/685462143.db2.gz VUVMZSMCRDRSMH-VIFPVBQESA-N -1 1 361.349 2.164 20 0 FEADMM COc1coc(COC(=O)c2ccc(Br)c([O-])c2)cc1=O ZINC000778826516 681653464 /nfs/dbraw/zinc/65/34/64/681653464.db2.gz AWRCCVFHOXTNFD-UHFFFAOYSA-N -1 1 355.140 2.474 20 0 FEADMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000849380365 681704444 /nfs/dbraw/zinc/70/44/44/681704444.db2.gz XGULMBOMGUSNOJ-DTWKUNHWSA-N -1 1 351.291 2.407 20 0 FEADMM Cc1c(Br)ccc(F)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000935365763 681737354 /nfs/dbraw/zinc/73/73/54/681737354.db2.gz AOVPINLUZZVGDR-ZETCQYMHSA-N -1 1 356.199 2.285 20 0 FEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c1F ZINC000849460684 681747268 /nfs/dbraw/zinc/74/72/68/681747268.db2.gz GHEQZPGPINYEOF-CYBMUJFWSA-N -1 1 369.336 2.465 20 0 FEADMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)cc1 ZINC000779845308 681759358 /nfs/dbraw/zinc/75/93/58/681759358.db2.gz VTMBZNVTPYIDJN-YVMONPNESA-N -1 1 363.391 2.388 20 0 FEADMM O=C(c1ncc2ccccc2c1[O-])N1CCN(Cc2cncs2)CC1 ZINC000913409953 685476577 /nfs/dbraw/zinc/47/65/77/685476577.db2.gz SAHVZHUEVYFQGA-UHFFFAOYSA-N -1 1 354.435 2.355 20 0 FEADMM O=C(Cc1csc2ccc(Cl)cc12)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495396 685478602 /nfs/dbraw/zinc/47/86/02/685478602.db2.gz JNXHDJSLYHCMKZ-LBPRGKRZSA-N -1 1 363.830 2.210 20 0 FEADMM O=C(Cc1cc(Cl)cc2ccccc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493995 685478712 /nfs/dbraw/zinc/47/87/12/685478712.db2.gz OXGUSDSMYNOOHT-HNNXBMFYSA-N -1 1 357.801 2.149 20 0 FEADMM CCc1nc(SCCc2ccc(S(N)(=O)=O)cc2)[n-]c(=O)c1C ZINC000849921097 681823961 /nfs/dbraw/zinc/82/39/61/681823961.db2.gz GKWJYYWJWNBCJC-UHFFFAOYSA-N -1 1 353.469 2.035 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000780405325 681824164 /nfs/dbraw/zinc/82/41/64/681824164.db2.gz LQHHOOJPVROYGT-UHFFFAOYSA-N -1 1 365.338 2.084 20 0 FEADMM O=C([C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745751 685484076 /nfs/dbraw/zinc/48/40/76/685484076.db2.gz CSTBZPZXSDROGD-CABCVRRESA-N -1 1 361.833 2.337 20 0 FEADMM O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CCC(c2nn[n-]n2)CC1 ZINC000913745518 685484103 /nfs/dbraw/zinc/48/41/03/685484103.db2.gz IEUONVVYOBXSBZ-UHFFFAOYSA-N -1 1 366.212 2.174 20 0 FEADMM C[S@@](=O)C1(CNC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CCC1 ZINC000935796511 681825112 /nfs/dbraw/zinc/82/51/12/681825112.db2.gz VMAFTVXXVAMOIA-RUZDIDTESA-N -1 1 361.419 2.496 20 0 FEADMM Cc1ccc(F)c(Br)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913746896 685484231 /nfs/dbraw/zinc/48/42/31/685484231.db2.gz KYGMUDOTJDRXGJ-UHFFFAOYSA-N -1 1 368.210 2.430 20 0 FEADMM C[C@H](NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000780701171 681862568 /nfs/dbraw/zinc/86/25/68/681862568.db2.gz WDQJSDNCELHIEP-DRCTWCGVSA-N -1 1 357.813 2.244 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nc(C3CC3)cs2)o1 ZINC000781482833 681939886 /nfs/dbraw/zinc/93/98/86/681939886.db2.gz KWYUEVWHKLZMPX-QMMMGPOBSA-N -1 1 356.425 2.440 20 0 FEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCSC2)c1F ZINC000914198467 685498400 /nfs/dbraw/zinc/49/84/00/685498400.db2.gz CZDWBPSFPLJZAG-SSDOTTSWSA-N -1 1 370.265 2.381 20 0 FEADMM Cc1ccc(N)cc1NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000850751591 681955077 /nfs/dbraw/zinc/95/50/77/681955077.db2.gz DPBOLXKQRDDHJF-MFKMUULPSA-N -1 1 358.364 2.498 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1cc(N2CC[NH+]=C2[O-])ccc1C ZINC000782502611 682051035 /nfs/dbraw/zinc/05/10/35/682051035.db2.gz MZFASPKUXTUXJP-UHFFFAOYSA-N -1 1 367.452 2.396 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)cc1C ZINC000851766201 682126481 /nfs/dbraw/zinc/12/64/81/682126481.db2.gz WHXOLBZGJURUCJ-LBPRGKRZSA-N -1 1 373.814 2.040 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)cc1C ZINC000851788198 682134801 /nfs/dbraw/zinc/13/48/01/682134801.db2.gz QTKGPHBGNJNPDC-CYBMUJFWSA-N -1 1 365.407 2.047 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2Cc3ccc(Cl)cc3C2)cc1C ZINC000851788170 682135121 /nfs/dbraw/zinc/13/51/21/682135121.db2.gz QCDRFPPIOZSHAV-ZDUSSCGKSA-N -1 1 369.826 2.474 20 0 FEADMM C[C@@H]1CCN(C(=O)NCCc2ccsc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000851950991 682190831 /nfs/dbraw/zinc/19/08/31/682190831.db2.gz BDYMOMUQZJPCKI-PWSUYJOCSA-N -1 1 363.405 2.389 20 0 FEADMM O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000917118021 685529827 /nfs/dbraw/zinc/52/98/27/685529827.db2.gz ZVQGOYBJYUJGKJ-UHFFFAOYSA-N -1 1 353.827 2.390 20 0 FEADMM 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O=S(=O)([N-]C[C@@H]1CCC2(CCC2)O1)c1ncccc1Br ZINC000882776809 687484601 /nfs/dbraw/zinc/48/46/01/687484601.db2.gz MAEFTEYMUPFBFQ-JTQLQIEISA-N -1 1 361.261 2.224 20 0 FEADMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccns2)nc1C ZINC000885055449 688007398 /nfs/dbraw/zinc/00/73/98/688007398.db2.gz WUNQRUVDJFTDGW-MRVPVSSYSA-N -1 1 361.470 2.124 20 0 FEADMM CC(C)(C)OC(=O)N1CC=C(CC[N-]S(=O)(=O)c2ccns2)CC1 ZINC000885157110 688025154 /nfs/dbraw/zinc/02/51/54/688025154.db2.gz GQCPGVGXSDYNHG-UHFFFAOYSA-N -1 1 373.500 2.379 20 0 FEADMM CC(C)[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)N1CCCS1(=O)=O ZINC000885675781 688123019 /nfs/dbraw/zinc/12/30/19/688123019.db2.gz ANPHJAQMGUPNLZ-ZDUSSCGKSA-N -1 1 364.826 2.183 20 0 FEADMM O=C(NCC[C@H]1OCCc2ccccc21)c1ccc2n[n-]c(=S)n2c1 ZINC000885931978 688184820 /nfs/dbraw/zinc/18/48/20/688184820.db2.gz MKSRTZDSTUKFLM-OAHLLOKOSA-N -1 1 354.435 2.452 20 0 FEADMM O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCCc1c(F)cc([O-])cc1F ZINC000886270071 688223285 /nfs/dbraw/zinc/22/32/85/688223285.db2.gz 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CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccccc2-n2cncn2)O1 ZINC000901598985 690663502 /nfs/dbraw/zinc/66/35/02/690663502.db2.gz RLONOBOGIWEBMR-CYBMUJFWSA-N -1 1 350.444 2.357 20 0 FEADMM CCn1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)n1 ZINC000901715111 690683462 /nfs/dbraw/zinc/68/34/62/690683462.db2.gz XBZFKCCEGATNOO-UHFFFAOYSA-N -1 1 368.846 2.266 20 0 FEADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000901786297 690694519 /nfs/dbraw/zinc/69/45/19/690694519.db2.gz KFDOVKAJASGFIW-CQSZACIVSA-N -1 1 358.295 2.245 20 0 FEADMM Cc1csc(C)c1S(=O)(=O)[N-]c1ccc(OCCC(N)=O)cc1 ZINC000901848514 690701979 /nfs/dbraw/zinc/70/19/79/690701979.db2.gz CVWGUAJQXNPLGH-UHFFFAOYSA-N -1 1 354.453 2.420 20 0 FEADMM O=C([O-])[C@@H]1CSCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000901889734 690708202 /nfs/dbraw/zinc/70/82/02/690708202.db2.gz CYTQWROQGGJWMC-JTQLQIEISA-N -1 1 374.256 2.427 20 0 FEADMM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000901916649 690713446 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CC[C@H](Oc1ccccc1Cl)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478703 691496596 /nfs/dbraw/zinc/49/65/96/691496596.db2.gz YFYWYQKKXNXFIC-NEPJUHHUSA-N -1 1 367.862 2.327 20 0 FEADMM O=C(Cc1scnc1-c1ccccc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479593 691497437 /nfs/dbraw/zinc/49/74/37/691497437.db2.gz FVBIOGDBVPWEMO-LBPRGKRZSA-N -1 1 372.479 2.182 20 0 FEADMM Cc1ncoc1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000907596622 691524458 /nfs/dbraw/zinc/52/44/58/691524458.db2.gz FYSDKFNLPOGQIP-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM O=S(=O)([N-][C@@H](CCO)C1CCCC1)c1ncccc1Br ZINC000907825324 691566723 /nfs/dbraw/zinc/56/67/23/691566723.db2.gz ZGZMFRRPMMQENE-LBPRGKRZSA-N -1 1 363.277 2.064 20 0 FEADMM C[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1c(Cl)cccc1Cl ZINC000907943935 691587711 /nfs/dbraw/zinc/58/77/11/691587711.db2.gz NGQDBLSCZMZWCB-SECBINFHSA-N -1 1 370.240 2.120 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)cc1C ZINC000908390355 691671552 /nfs/dbraw/zinc/67/15/52/691671552.db2.gz 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O=C([O-])[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1ccccc1F ZINC000908808491 939324058 /nfs/dbraw/zinc/32/40/58/939324058.db2.gz IJUBZHBXOPBMBQ-GOSISDBHSA-N -1 1 371.412 2.309 20 0 FEADMM O=C([O-])[C@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000663062118 939851894 /nfs/dbraw/zinc/85/18/94/939851894.db2.gz RFCKSTCMHYUHCI-IBGZPJMESA-N -1 1 373.497 2.206 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c1 ZINC000007727693 539464793 /nfs/dbraw/zinc/46/47/93/539464793.db2.gz FOGSGWGWFJTOGJ-UHFFFAOYSA-N -1 1 353.421 2.094 20 0 FEADMM CN1C(=O)COc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000011908316 539538774 /nfs/dbraw/zinc/53/87/74/539538774.db2.gz VFQNQTMRVKEWEF-UHFFFAOYSA-N -1 1 352.799 2.496 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000015246201 539614654 /nfs/dbraw/zinc/61/46/54/539614654.db2.gz WOGYRTNWBGLTKQ-UHFFFAOYSA-N -1 1 362.407 2.024 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000020629657 539676465 /nfs/dbraw/zinc/67/64/65/539676465.db2.gz ZVBVLUWUVHNCIQ-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc[nH]n3)cc2)cc1C ZINC000023141429 539707288 /nfs/dbraw/zinc/70/72/88/539707288.db2.gz QCXIJEMOBPKIFW-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000028256309 539829347 /nfs/dbraw/zinc/82/93/47/539829347.db2.gz QABSQUWHUNENIM-UHFFFAOYSA-N -1 1 374.340 2.370 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cn2)n1 ZINC000030604545 539887158 /nfs/dbraw/zinc/88/71/58/539887158.db2.gz RCZKISJUKOOSLW-UHFFFAOYSA-N -1 1 351.292 2.273 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1OC ZINC000031720953 539917117 /nfs/dbraw/zinc/91/71/17/539917117.db2.gz VFNQVULNQZUSDH-UHFFFAOYSA-N -1 1 370.814 2.257 20 0 FEADMM CC(C)N(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)[O-] ZINC000037995367 539997867 /nfs/dbraw/zinc/99/78/67/539997867.db2.gz ORIDOVPEZBTXJS-UHFFFAOYSA-N -1 1 364.261 2.018 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1Br ZINC000530881605 540061200 /nfs/dbraw/zinc/06/12/00/540061200.db2.gz JYWOWWCSYGKFBY-SECBINFHSA-N -1 1 357.252 2.178 20 0 FEADMM O=C([O-])Cc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000044242936 540120338 /nfs/dbraw/zinc/12/03/38/540120338.db2.gz OQGXLWSLFAHCPW-UHFFFAOYSA-N -1 1 371.212 2.272 20 0 FEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(=O)[nH]c1 ZINC000046611795 540263611 /nfs/dbraw/zinc/26/36/11/540263611.db2.gz OQZXFLRDZUJGER-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1sccc1Br ZINC000050183716 540402835 /nfs/dbraw/zinc/40/28/35/540402835.db2.gz JGFXHXZUCOBHEY-UHFFFAOYSA-N -1 1 364.290 2.453 20 0 FEADMM O=C(NCCCO)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000050533728 540407114 /nfs/dbraw/zinc/40/71/14/540407114.db2.gz CYCBDAKLCHFCSR-UHFFFAOYSA-N -1 1 374.462 2.088 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NCCc2c(F)cccc2F)n1 ZINC000053359138 540528942 /nfs/dbraw/zinc/52/89/42/540528942.db2.gz WGMRZKYVBFZUKH-UHFFFAOYSA-N -1 1 367.421 2.452 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1CO ZINC000054040861 540565834 /nfs/dbraw/zinc/56/58/34/540565834.db2.gz HWUGDJHHNZGMOS-UHFFFAOYSA-N -1 1 365.407 2.165 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000055555401 540658495 /nfs/dbraw/zinc/65/84/95/540658495.db2.gz ZJCLGWOMUXZZDF-UHFFFAOYSA-N -1 1 357.334 2.317 20 0 FEADMM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000055584115 540661475 /nfs/dbraw/zinc/66/14/75/540661475.db2.gz QDSZNECAOVCWML-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1O ZINC000055616315 540663881 /nfs/dbraw/zinc/66/38/81/540663881.db2.gz SUEHVLQNGJGDHE-UHFFFAOYSA-N -1 1 355.437 2.213 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000055640280 540667437 /nfs/dbraw/zinc/66/74/37/540667437.db2.gz XHXCXFUMHPRDIA-UHFFFAOYSA-N -1 1 365.407 2.299 20 0 FEADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1Cl ZINC000055648457 540667896 /nfs/dbraw/zinc/66/78/96/540667896.db2.gz DRAMADGSAIZELJ-UHFFFAOYSA-N -1 1 366.826 2.435 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2F)c(F)c1 ZINC000057115682 540769478 /nfs/dbraw/zinc/76/94/78/540769478.db2.gz IOHIALNVXYMVDK-UHFFFAOYSA-N -1 1 362.379 2.137 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1F ZINC000058496174 540846170 /nfs/dbraw/zinc/84/61/70/540846170.db2.gz WVBZRKHAJVOOMQ-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2nc[nH]n2)c1 ZINC000058714905 540854096 /nfs/dbraw/zinc/85/40/96/540854096.db2.gz MDPWGALLUXVJNW-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM CCN(CC)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000059416227 540865212 /nfs/dbraw/zinc/86/52/12/540865212.db2.gz OSVFOAOEFMUHQG-UHFFFAOYSA-N -1 1 368.484 2.224 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000062930954 541155221 /nfs/dbraw/zinc/15/52/21/541155221.db2.gz FQSSLWCWBPWOJR-UHFFFAOYSA-N -1 1 374.871 2.238 20 0 FEADMM COc1ccccc1N(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000065160362 541227918 /nfs/dbraw/zinc/22/79/18/541227918.db2.gz PWOBWDWSKOJSTO-UHFFFAOYSA-N -1 1 364.405 2.354 20 0 FEADMM COc1ccc(NC(=O)CN(C)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000065860579 541266829 /nfs/dbraw/zinc/26/68/29/541266829.db2.gz FGEPVBVGSHEIDT-UHFFFAOYSA-N -1 1 363.439 2.142 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H](C)NC(=O)c2cccs2)n[n-]c1=S ZINC000066639182 541352161 /nfs/dbraw/zinc/35/21/61/541352161.db2.gz OBDYHPAVNFZISP-VIFPVBQESA-N -1 1 353.473 2.018 20 0 FEADMM CCc1[nH]c(C(=O)NCc2n[n-]c(=S)n2C(C)C)c(C)c1C(=O)OC ZINC000066650257 541355912 /nfs/dbraw/zinc/35/59/12/541355912.db2.gz UJKFBTSUDHGSBS-UHFFFAOYSA-N -1 1 365.459 2.437 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000068080682 541545199 /nfs/dbraw/zinc/54/51/99/541545199.db2.gz WEYXUNYZIXWDEW-UHFFFAOYSA-N -1 1 365.499 2.067 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(N(C)C(C)C)c2)o1 ZINC000068479250 541597486 /nfs/dbraw/zinc/59/74/86/541597486.db2.gz YFAFHBYJALQYPO-UHFFFAOYSA-N -1 1 351.428 2.285 20 0 FEADMM CN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1 ZINC000068803023 541630228 /nfs/dbraw/zinc/63/02/28/541630228.db2.gz WKTLDGSIVUJWGN-UHFFFAOYSA-N -1 1 366.443 2.070 20 0 FEADMM CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300364 541676095 /nfs/dbraw/zinc/67/60/95/541676095.db2.gz LPDYVSQWFSHEEP-QWHCGFSZSA-N -1 1 370.519 2.395 20 0 FEADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000551106615 674124099 /nfs/dbraw/zinc/12/40/99/674124099.db2.gz RIRJXDVNLYHIEW-UHFFFAOYSA-N -1 1 362.333 2.047 20 0 FEADMM O=C(COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@@H]1CCCOC1 ZINC000801358750 674124061 /nfs/dbraw/zinc/12/40/61/674124061.db2.gz BQDOZQAUOFZEKB-LLVKDONJSA-N -1 1 364.785 2.384 20 0 FEADMM CC(C)N1CC[C@H](OC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1=O ZINC000801373026 674124650 /nfs/dbraw/zinc/12/46/50/674124650.db2.gz AGEZNJQDDVXIHI-AWEZNQCLSA-N -1 1 363.801 2.397 20 0 FEADMM O=C(OCc1ncnn1CCF)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361970 674124376 /nfs/dbraw/zinc/12/43/76/674124376.db2.gz MCCFSNWUJBGGNS-UHFFFAOYSA-N -1 1 365.752 2.149 20 0 FEADMM Cc1nc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)cc2o1 ZINC000072864476 541885475 /nfs/dbraw/zinc/88/54/75/541885475.db2.gz USKSOIPHYHAZOU-UHFFFAOYSA-N -1 1 351.322 2.034 20 0 FEADMM CC[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000075223481 542161170 /nfs/dbraw/zinc/16/11/70/542161170.db2.gz QCVJUUDHAQMZEY-GOSISDBHSA-N -1 1 362.451 2.378 20 0 FEADMM COc1ccc2nc(-c3cccc(OCC(=O)NC4CC4)c3)[n-]c(=O)c2c1 ZINC000076029729 542225813 /nfs/dbraw/zinc/22/58/13/542225813.db2.gz COFQQBFCZFEITP-UHFFFAOYSA-N -1 1 365.389 2.256 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3cc(Br)ccc3F)ccnc1-2 ZINC000801702956 674144511 /nfs/dbraw/zinc/14/45/11/674144511.db2.gz YZHMJGRGNHVMMC-UHFFFAOYSA-N -1 1 363.190 2.425 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc(-c2nc[nH]n2)n1 ZINC000076687378 542312193 /nfs/dbraw/zinc/31/21/93/542312193.db2.gz WEDGCNIHPMVJLA-UHFFFAOYSA-N -1 1 356.346 2.105 20 0 FEADMM CCc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cnn1-c1ccccn1 ZINC000076946900 542332312 /nfs/dbraw/zinc/33/23/12/542332312.db2.gz XHNVHSXLAPKZJM-UHFFFAOYSA-N -1 1 351.292 2.219 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c([O-])c1 ZINC000076968264 542336889 /nfs/dbraw/zinc/33/68/89/542336889.db2.gz GXRNBUKYQFYPFD-UHFFFAOYSA-N -1 1 354.410 2.099 20 0 FEADMM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C2 ZINC000077395475 542377852 /nfs/dbraw/zinc/37/78/52/542377852.db2.gz FIOXSDYPGAYDLQ-GFCCVEGCSA-N -1 1 355.362 2.255 20 0 FEADMM Cc1cccc([C@@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000078169252 542446453 /nfs/dbraw/zinc/44/64/53/542446453.db2.gz BPDUBYGNFLWJIL-ZDUSSCGKSA-N -1 1 352.438 2.410 20 0 FEADMM Cc1noc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000078964501 542490663 /nfs/dbraw/zinc/49/06/63/542490663.db2.gz UHEROJPAKQTHCK-UHFFFAOYSA-N -1 1 358.379 2.431 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000081754041 542675632 /nfs/dbraw/zinc/67/56/32/542675632.db2.gz HYCQANQEXQDGFA-UHFFFAOYSA-N -1 1 365.437 2.492 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1ccccc1 ZINC000084937002 542722698 /nfs/dbraw/zinc/72/26/98/542722698.db2.gz WAGXJKLKVMBQCN-ZDUSSCGKSA-N -1 1 358.419 2.416 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000084937008 542722981 /nfs/dbraw/zinc/72/29/81/542722981.db2.gz LSBLVPWAZKULEP-UHFFFAOYSA-N -1 1 362.382 2.280 20 0 FEADMM CCN(CCO)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000098075302 543020077 /nfs/dbraw/zinc/02/00/77/543020077.db2.gz JIWCDBWSLIHLIH-UHFFFAOYSA-N -1 1 366.414 2.081 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000103940106 543118552 /nfs/dbraw/zinc/11/85/52/543118552.db2.gz MHWOEMHKXCMOSS-UHFFFAOYSA-N -1 1 356.401 2.370 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1cccc(Cl)c1 ZINC000104010065 543120417 /nfs/dbraw/zinc/12/04/17/543120417.db2.gz WCPIHVFGLZWBTQ-UHFFFAOYSA-N -1 1 355.785 2.370 20 0 FEADMM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000104930908 543150940 /nfs/dbraw/zinc/15/09/40/543150940.db2.gz UOUCSZVEYAPZGY-JTQLQIEISA-N -1 1 357.740 2.494 20 0 FEADMM Cc1ccc(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000111033998 543379752 /nfs/dbraw/zinc/37/97/52/543379752.db2.gz FLFLXQYJQGROHA-UHFFFAOYSA-N -1 1 353.426 2.047 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCCc3nc(C)sc32)o1 ZINC000111130043 543382842 /nfs/dbraw/zinc/38/28/42/543382842.db2.gz XOISCGWEARZVCJ-NSHDSACASA-N -1 1 369.468 2.102 20 0 FEADMM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000112015613 543426904 /nfs/dbraw/zinc/42/69/04/543426904.db2.gz SPUXIDDREPHSQH-SSDOTTSWSA-N -1 1 357.657 2.201 20 0 FEADMM O=C(NCCCc1nc[nH]n1)c1cc(Cl)cc(Br)c1[O-] ZINC000551941672 674174866 /nfs/dbraw/zinc/17/48/66/674174866.db2.gz IPSSGBBXRQTRPM-UHFFFAOYSA-N -1 1 359.611 2.289 20 0 FEADMM Cc1cccc(CSCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114413248 543514830 /nfs/dbraw/zinc/51/48/30/543514830.db2.gz KKWKHPGCMMKCKN-UHFFFAOYSA-N -1 1 370.478 2.497 20 0 FEADMM COC[C@H](NC(=O)c1ccc(Br)cc1[O-])C1CCOCC1 ZINC000617368481 676282355 /nfs/dbraw/zinc/28/23/55/676282355.db2.gz VYSZYFZPSADSEX-ZDUSSCGKSA-N -1 1 358.232 2.326 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116202177 543604835 /nfs/dbraw/zinc/60/48/35/543604835.db2.gz WOROIHGGZPOCKK-RYUDHWBXSA-N -1 1 372.375 2.338 20 0 FEADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000116159413 543601447 /nfs/dbraw/zinc/60/14/47/543601447.db2.gz OKMNMIQZCUZNSX-UHFFFAOYSA-N -1 1 360.435 2.310 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc4ncsc4c3)cc21 ZINC000116158979 543601847 /nfs/dbraw/zinc/60/18/47/543601847.db2.gz PWPOMJNALPICBR-UHFFFAOYSA-N -1 1 359.432 2.383 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000118251710 543649301 /nfs/dbraw/zinc/64/93/01/543649301.db2.gz JETJKSHKLVZDHR-UHFFFAOYSA-N -1 1 370.428 2.415 20 0 FEADMM CC[C@@H](OC1CCCCC1)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123191652 543747228 /nfs/dbraw/zinc/74/72/28/543747228.db2.gz CHLALQUFGQBFGS-MRXNPFEDSA-N -1 1 360.458 2.384 20 0 FEADMM Cc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c(O)c1 ZINC000122596188 543712615 /nfs/dbraw/zinc/71/26/15/543712615.db2.gz HDNGRMDQWOJTBW-UHFFFAOYSA-N -1 1 350.378 2.336 20 0 FEADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000124315161 543813249 /nfs/dbraw/zinc/81/32/49/543813249.db2.gz OJBROKFXLMAJIJ-JQWIXIFHSA-N -1 1 356.434 2.100 20 0 FEADMM COc1ccc(C2(C(=O)N(C)C[C@H](C)c3nn[n-]n3)CCCC2)cc1OC ZINC000124212464 543806986 /nfs/dbraw/zinc/80/69/86/543806986.db2.gz UIPKUECWFUBOJM-ZDUSSCGKSA-N -1 1 373.457 2.291 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(OCc2ccccn2)cc1)c1nn[n-]n1 ZINC000124668222 543836094 /nfs/dbraw/zinc/83/60/94/543836094.db2.gz YGEVSVPYNIJZRI-ZDUSSCGKSA-N -1 1 352.398 2.049 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cnc(-c2ncccn2)s1 ZINC000124848482 543846828 /nfs/dbraw/zinc/84/68/28/543846828.db2.gz SRAHVXKVKPQRJS-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@H]1CO ZINC000125010248 543856064 /nfs/dbraw/zinc/85/60/64/543856064.db2.gz OVEXPZIJZOEARM-INIZCTEOSA-N -1 1 360.435 2.084 20 0 FEADMM O=C(C1CCCCC1)N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000126381867 543933042 /nfs/dbraw/zinc/93/30/42/543933042.db2.gz XUZKGUKUCIBWDG-ZDUSSCGKSA-N -1 1 372.437 2.424 20 0 FEADMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1ccccc1C(F)(F)F ZINC000127228715 543979675 /nfs/dbraw/zinc/97/96/75/543979675.db2.gz GRUOYUIFOHCCPB-UHFFFAOYSA-N -1 1 374.344 2.113 20 0 FEADMM Cc1nc(CN2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)no1 ZINC000126647766 543949035 /nfs/dbraw/zinc/94/90/35/543949035.db2.gz YMJWHGJQDVCDIL-UHFFFAOYSA-N -1 1 352.394 2.195 20 0 FEADMM O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000129118040 544091603 /nfs/dbraw/zinc/09/16/03/544091603.db2.gz HOSPPFDSRKHALZ-NSHDSACASA-N -1 1 352.329 2.070 20 0 FEADMM C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000129504658 544115651 /nfs/dbraw/zinc/11/56/51/544115651.db2.gz WKNLJOYBMSKCMG-NEPJUHHUSA-N -1 1 374.466 2.212 20 0 FEADMM COc1ccc2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c(C)nc2c1 ZINC000129519429 544116549 /nfs/dbraw/zinc/11/65/49/544116549.db2.gz LHVOURVIBSWNLY-CYBMUJFWSA-N -1 1 352.398 2.085 20 0 FEADMM O=C(c1cccc(OCc2cccnc2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129435403 544112512 /nfs/dbraw/zinc/11/25/12/544112512.db2.gz FFEYOQNPWQUBKW-INIZCTEOSA-N -1 1 364.409 2.194 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1 ZINC000130482735 544153052 /nfs/dbraw/zinc/15/30/52/544153052.db2.gz AMTZGUSZSASBNA-UHFFFAOYSA-N -1 1 371.422 2.051 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000131694320 544202327 /nfs/dbraw/zinc/20/23/27/544202327.db2.gz NQAAGFVWFSKNEC-UHFFFAOYSA-N -1 1 357.737 2.343 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4cc[nH]n4)cc3)ccc21 ZINC000132666866 544239688 /nfs/dbraw/zinc/23/96/88/544239688.db2.gz VLLPMKNOFMYFNN-UHFFFAOYSA-N -1 1 368.418 2.396 20 0 FEADMM O=C(c1csc(-c2ccccc2F)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000132713859 544241115 /nfs/dbraw/zinc/24/11/15/544241115.db2.gz NQRWSUCSZRDYPB-SNVBAGLBSA-N -1 1 358.402 2.482 20 0 FEADMM Cc1cc(C(=O)Nc2c(F)cccc2NC2CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000132718411 544241916 /nfs/dbraw/zinc/24/19/16/544241916.db2.gz BJEVEXTZRQJIGW-UHFFFAOYSA-N -1 1 369.356 2.298 20 0 FEADMM Cc1cc(C(=O)Nc2c(F)cccc2NC2CC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000132718411 544241919 /nfs/dbraw/zinc/24/19/19/544241919.db2.gz BJEVEXTZRQJIGW-UHFFFAOYSA-N -1 1 369.356 2.298 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000134604651 544314662 /nfs/dbraw/zinc/31/46/62/544314662.db2.gz FKPXCCVBFTYERX-WBVHZDCISA-N -1 1 374.485 2.432 20 0 FEADMM O=C(CO)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000136048301 544365703 /nfs/dbraw/zinc/36/57/03/544365703.db2.gz WHVBPPMMHIYBQV-UHFFFAOYSA-N -1 1 374.340 2.437 20 0 FEADMM CCC[C@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nn[n-]n1 ZINC000136655824 544376465 /nfs/dbraw/zinc/37/64/65/544376465.db2.gz IMSPTKNMFCHKFF-ZDUSSCGKSA-N -1 1 373.392 2.369 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000136925171 544381331 /nfs/dbraw/zinc/38/13/31/544381331.db2.gz RDJDCGPFXAQADO-UHFFFAOYSA-N -1 1 363.299 2.207 20 0 FEADMM Cc1cc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)no1 ZINC000143888039 544425704 /nfs/dbraw/zinc/42/57/04/544425704.db2.gz NBVFPRZUSBHSAF-UHFFFAOYSA-N -1 1 363.801 2.377 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCN(C)c2ccccc2F)c1 ZINC000152076611 544611697 /nfs/dbraw/zinc/61/16/97/544611697.db2.gz FZUWOQAMFDLCOY-UHFFFAOYSA-N -1 1 370.402 2.010 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)c2c(C)noc2C)c(=O)[n-]1 ZINC000152160463 544619742 /nfs/dbraw/zinc/61/97/42/544619742.db2.gz QLDCLTHNPBTJPA-SECBINFHSA-N -1 1 364.471 2.258 20 0 FEADMM COc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)cc(Cl)c1[O-] ZINC000153649635 544802804 /nfs/dbraw/zinc/80/28/04/544802804.db2.gz IRHHMLUOCVSJID-NSHDSACASA-N -1 1 362.813 2.489 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCCN(CC(F)F)CC3)cnc2n1 ZINC000153660291 544803981 /nfs/dbraw/zinc/80/39/81/544803981.db2.gz CDNVCAAXSSXQPC-UHFFFAOYSA-N -1 1 350.369 2.057 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCCN(CC(F)F)CC3)c[n-]c2n1 ZINC000153660291 544803986 /nfs/dbraw/zinc/80/39/86/544803986.db2.gz CDNVCAAXSSXQPC-UHFFFAOYSA-N -1 1 350.369 2.057 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000154454368 544908454 /nfs/dbraw/zinc/90/84/54/544908454.db2.gz BZFKRUXFRXIKOI-UHFFFAOYSA-N -1 1 368.412 2.169 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2cc(Cl)cn2C)c(=O)[n-]1 ZINC000154263024 544883213 /nfs/dbraw/zinc/88/32/13/544883213.db2.gz QIARWESIQCWRBE-UHFFFAOYSA-N -1 1 368.890 2.383 20 0 FEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000155007164 544977106 /nfs/dbraw/zinc/97/71/06/544977106.db2.gz TUEOHJUSFUBAEM-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CCCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000155278308 545007396 /nfs/dbraw/zinc/00/73/96/545007396.db2.gz XNMZLLOQVJQROB-KBPBESRZSA-N -1 1 372.487 2.244 20 0 FEADMM O=C(c1cc(Cl)ccc1[O-])N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000553701170 674280112 /nfs/dbraw/zinc/28/01/12/674280112.db2.gz RHQLHVUHHMJRII-UHFFFAOYSA-N -1 1 357.859 2.477 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ncccc3Cl)cc21 ZINC000180198639 327675850 /nfs/dbraw/zinc/67/58/50/327675850.db2.gz XVQHGQCFPQHEFB-UHFFFAOYSA-N -1 1 351.815 2.445 20 0 FEADMM NC(=O)COc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000180606885 327693363 /nfs/dbraw/zinc/69/33/63/327693363.db2.gz OUXFTRVBNKUXRC-UHFFFAOYSA-N -1 1 368.311 2.205 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000183081595 327800496 /nfs/dbraw/zinc/80/04/96/327800496.db2.gz GWMATLAAUYKUDL-HNNXBMFYSA-N -1 1 370.453 2.145 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)c2nccs2)c(=O)[n-]1 ZINC000184307470 327861160 /nfs/dbraw/zinc/86/11/60/327861160.db2.gz PTPVTRXDHSZBMK-SECBINFHSA-N -1 1 352.485 2.109 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185267069 327909181 /nfs/dbraw/zinc/90/91/81/327909181.db2.gz UPMPQJGBUUQCDL-UHFFFAOYSA-N -1 1 351.334 2.346 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1F ZINC000185641453 327926111 /nfs/dbraw/zinc/92/61/11/327926111.db2.gz ZUYVEWJSHLPXAJ-UHFFFAOYSA-N -1 1 362.386 2.431 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC[C@H]1O ZINC000186633099 327971948 /nfs/dbraw/zinc/97/19/48/327971948.db2.gz HPLYMMIQNSMFCX-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Oc1ccc2c(c1)NC(=O)CC2 ZINC000186717344 327977878 /nfs/dbraw/zinc/97/78/78/327977878.db2.gz WQFOJNQTAOQPLF-UHFFFAOYSA-N -1 1 355.394 2.480 20 0 FEADMM CC(C)CN1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1=O ZINC000186846002 327986177 /nfs/dbraw/zinc/98/61/77/327986177.db2.gz XLZVLRRFBVXMKC-UHFFFAOYSA-N -1 1 355.232 2.095 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(Nc2nccs2)CC1 ZINC000186948992 327992633 /nfs/dbraw/zinc/99/26/33/327992633.db2.gz UGRYIIKONWPUKY-UHFFFAOYSA-N -1 1 355.423 2.096 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000187067736 328000281 /nfs/dbraw/zinc/00/02/81/328000281.db2.gz BLPZSRJFSPEIND-UHFFFAOYSA-N -1 1 351.359 2.113 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cnc(Cc2ccccc2F)s1)c1nn[n-]n1 ZINC000187320401 328016259 /nfs/dbraw/zinc/01/62/59/328016259.db2.gz MTGRUZZKEOOQBM-JTQLQIEISA-N -1 1 360.418 2.262 20 0 FEADMM CCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1ccccc1C ZINC000187352080 328019064 /nfs/dbraw/zinc/01/90/64/328019064.db2.gz FFUXDIWVODPZIT-ZDUSSCGKSA-N -1 1 353.430 2.132 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)[n-]1 ZINC000187589294 328034890 /nfs/dbraw/zinc/03/48/90/328034890.db2.gz AVZCMNNIBRHCRT-SNVBAGLBSA-N -1 1 351.403 2.475 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000187589294 328034891 /nfs/dbraw/zinc/03/48/91/328034891.db2.gz AVZCMNNIBRHCRT-SNVBAGLBSA-N -1 1 351.403 2.475 20 0 FEADMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1=O ZINC000187949526 328055678 /nfs/dbraw/zinc/05/56/78/328055678.db2.gz PUGJCLXFZFRYLY-VIFPVBQESA-N -1 1 369.245 2.420 20 0 FEADMM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188014760 328060403 /nfs/dbraw/zinc/06/04/03/328060403.db2.gz ZCHSDBITVAGALT-SECBINFHSA-N -1 1 374.261 2.444 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@@H]1C ZINC000188048536 328062818 /nfs/dbraw/zinc/06/28/18/328062818.db2.gz SGWFOYGEZZSJIZ-ONGXEEELSA-N -1 1 356.216 2.426 20 0 FEADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000188195153 328072563 /nfs/dbraw/zinc/07/25/63/328072563.db2.gz MBPMCMRZYOLSKJ-UHFFFAOYSA-N -1 1 367.185 2.303 20 0 FEADMM CCn1nccc1N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1=O ZINC000189882869 328173455 /nfs/dbraw/zinc/17/34/55/328173455.db2.gz LMMDFVGRSZBXQA-CYBMUJFWSA-N -1 1 362.817 2.187 20 0 FEADMM O=S(=O)([N-]CCCN1CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000190183398 328193054 /nfs/dbraw/zinc/19/30/54/328193054.db2.gz GWJICRDIJNNMLG-UHFFFAOYSA-N -1 1 371.261 2.133 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)c2ccc(Cl)cc2)no1 ZINC000190389364 328204965 /nfs/dbraw/zinc/20/49/65/328204965.db2.gz HMLLOCYOFQXMMG-IIMNLJJBSA-N -1 1 371.846 2.218 20 0 FEADMM CN(C)S(=O)(=O)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000190408308 328205886 /nfs/dbraw/zinc/20/58/86/328205886.db2.gz UNRVQAXLMSVACY-UHFFFAOYSA-N -1 1 367.427 2.182 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)ccc1F ZINC000190793547 328233033 /nfs/dbraw/zinc/23/30/33/328233033.db2.gz ZBDWETXSDFVDJE-UHFFFAOYSA-N -1 1 370.377 2.476 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000191890000 328287020 /nfs/dbraw/zinc/28/70/20/328287020.db2.gz FQOLIOSTFSEYNC-UHFFFAOYSA-N -1 1 360.435 2.195 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192073021 328298306 /nfs/dbraw/zinc/29/83/06/328298306.db2.gz UNJLPWYFQDHLTC-MRXNPFEDSA-N -1 1 366.421 2.004 20 0 FEADMM O=C(NCc1ccccn1)c1cc(I)ccc1[O-] ZINC000192777782 328339105 /nfs/dbraw/zinc/33/91/05/328339105.db2.gz CKUKVPAJVHHCLE-UHFFFAOYSA-N -1 1 354.147 2.322 20 0 FEADMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000193045875 328354052 /nfs/dbraw/zinc/35/40/52/328354052.db2.gz UGXFOWJQQOYCDH-UHFFFAOYSA-N -1 1 370.796 2.287 20 0 FEADMM Cc1c(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cnn1C1CCCC1 ZINC000192992613 328351189 /nfs/dbraw/zinc/35/11/89/328351189.db2.gz BQLCWCQTLVHFMH-UHFFFAOYSA-N -1 1 368.441 2.441 20 0 FEADMM CCCNc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000193011984 328351886 /nfs/dbraw/zinc/35/18/86/328351886.db2.gz AQEADIYBPIGVGC-UHFFFAOYSA-N -1 1 367.453 2.320 20 0 FEADMM COC(=O)CC1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCCC1 ZINC000193015313 328352204 /nfs/dbraw/zinc/35/22/04/328352204.db2.gz NNQROYQQPRLNCS-UHFFFAOYSA-N -1 1 351.346 2.258 20 0 FEADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000016099561 324385219 /nfs/dbraw/zinc/38/52/19/324385219.db2.gz OFZWTSAOPJHZDT-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020448378 324393085 /nfs/dbraw/zinc/39/30/85/324393085.db2.gz LWIQKRLIVCWJQJ-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc21 ZINC000195328420 328472142 /nfs/dbraw/zinc/47/21/42/328472142.db2.gz DMGMCCDGOVNYTD-UHFFFAOYSA-N -1 1 357.395 2.027 20 0 FEADMM C[C@H]1OCC[C@@]1(C)NC(=O)c1cc(I)ccc1[O-] ZINC000235585721 328488941 /nfs/dbraw/zinc/48/89/41/328488941.db2.gz OTMKZHWJTKKRCO-AMIZOPFISA-N -1 1 361.179 2.294 20 0 FEADMM O=S(=O)([N-][C@H]1CCSC1)c1cc(Br)cnc1Cl ZINC000230627077 328487118 /nfs/dbraw/zinc/48/71/18/328487118.db2.gz BLFUVMIGSSCNQH-ZETCQYMHSA-N -1 1 357.682 2.281 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000078777000 325061813 /nfs/dbraw/zinc/06/18/13/325061813.db2.gz RVLWMVBUXRUATD-UHFFFAOYSA-N -1 1 363.439 2.032 20 0 FEADMM Cn1c(CCNC(=O)c2ccc(F)c(Br)c2)n[n-]c1=S ZINC000080038503 325115330 /nfs/dbraw/zinc/11/53/30/325115330.db2.gz RRLSUDYITGMBPI-UHFFFAOYSA-N -1 1 359.224 2.352 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000080551845 325135703 /nfs/dbraw/zinc/13/57/03/325135703.db2.gz OEYXTBBCFAOABJ-UHFFFAOYSA-N -1 1 369.469 2.170 20 0 FEADMM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)nn1 ZINC000081002627 325152661 /nfs/dbraw/zinc/15/26/61/325152661.db2.gz WCSMBLDEZMWWCJ-UHFFFAOYSA-N -1 1 362.337 2.016 20 0 FEADMM CCc1cccc(NC(=O)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000081621384 325190023 /nfs/dbraw/zinc/19/00/23/325190023.db2.gz IGIXRWOWMQVRLQ-UHFFFAOYSA-N -1 1 370.453 2.307 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000102876708 325500224 /nfs/dbraw/zinc/50/02/24/325500224.db2.gz VGYLWFGRHJXXTL-QGZVFWFLSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(OC(C)C)cc1 ZINC000104031308 325530943 /nfs/dbraw/zinc/53/09/43/325530943.db2.gz FCYGNTLCGCQQKD-UHFFFAOYSA-N -1 1 368.437 2.286 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1Cl ZINC000105770938 325572988 /nfs/dbraw/zinc/57/29/88/325572988.db2.gz IWJYFDXOBQFCPM-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC(N)=O)cc3)cc2)co1 ZINC000110097285 325683209 /nfs/dbraw/zinc/68/32/09/325683209.db2.gz NMJNZRYXXDXZQQ-UHFFFAOYSA-N -1 1 371.418 2.479 20 0 FEADMM COc1cc(Br)c(CNC(=O)c2cncc([O-])c2)cc1OC ZINC000111596847 325726528 /nfs/dbraw/zinc/72/65/28/325726528.db2.gz GMOMHMFSLVEMTF-UHFFFAOYSA-N -1 1 367.199 2.497 20 0 FEADMM O=C(NCc1ncc[nH]1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000114125520 325873932 /nfs/dbraw/zinc/87/39/32/325873932.db2.gz KNBXJBRDHHXGGP-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@](C)(O)c1ccccc1 ZINC000114549654 325903679 /nfs/dbraw/zinc/90/36/79/325903679.db2.gz GUZHHYDGNVELHN-FQEVSTJZSA-N -1 1 368.437 2.008 20 0 FEADMM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000116356002 326009237 /nfs/dbraw/zinc/00/92/37/326009237.db2.gz DWUQGRNNXTVCMR-NWDGAFQWSA-N -1 1 360.426 2.327 20 0 FEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000116601191 326026666 /nfs/dbraw/zinc/02/66/66/326026666.db2.gz JWKAIJRUTXDLJP-UHFFFAOYSA-N -1 1 368.480 2.098 20 0 FEADMM CC(C)(CO)[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000119023165 326119156 /nfs/dbraw/zinc/11/91/56/326119156.db2.gz KHGFVHSIALZKRG-INIZCTEOSA-N -1 1 365.433 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)co1 ZINC000119104914 326127263 /nfs/dbraw/zinc/12/72/63/326127263.db2.gz ULZJLLWFLZDPBZ-UHFFFAOYSA-N -1 1 361.379 2.459 20 0 FEADMM CCN(Cc1cccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1)C(C)=O ZINC000119152054 326131903 /nfs/dbraw/zinc/13/19/03/326131903.db2.gz GXSFBDQQKJGNOZ-UHFFFAOYSA-N -1 1 367.409 2.295 20 0 FEADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(Br)ccc2[O-])C1 ZINC000119580888 326177222 /nfs/dbraw/zinc/17/72/22/326177222.db2.gz RYYZEOHURGKWSF-NSHDSACASA-N -1 1 355.232 2.095 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)co1 ZINC000119743219 326193567 /nfs/dbraw/zinc/19/35/67/326193567.db2.gz FLANLTZYBWUPMP-VIFPVBQESA-N -1 1 374.365 2.280 20 0 FEADMM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000119962476 326216140 /nfs/dbraw/zinc/21/61/40/326216140.db2.gz UQTKNCVREPPICL-PHDIDXHHSA-N -1 1 350.314 2.446 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)co1 ZINC000120512068 326264565 /nfs/dbraw/zinc/26/45/65/326264565.db2.gz PMIUUWKFFVOAAU-HNNXBMFYSA-N -1 1 366.414 2.174 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000120815947 326290746 /nfs/dbraw/zinc/29/07/46/326290746.db2.gz HQBWNVIMOLQREF-JSGCOSHPSA-N -1 1 372.375 2.338 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1 ZINC000121098588 326313201 /nfs/dbraw/zinc/31/32/01/326313201.db2.gz OXCPSWDKTAMYMX-UHFFFAOYSA-N -1 1 356.407 2.237 20 0 FEADMM COCCOC[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000122453757 326397299 /nfs/dbraw/zinc/39/72/99/326397299.db2.gz AISRDGAKHZVWKO-LLVKDONJSA-N -1 1 358.232 2.280 20 0 FEADMM O=C(Nc1cccnc1-n1cncn1)c1cc(Br)ccc1[O-] ZINC000122663159 326405064 /nfs/dbraw/zinc/40/50/64/326405064.db2.gz DOYSXRZRPUSYHF-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126571103 326491442 /nfs/dbraw/zinc/49/14/42/326491442.db2.gz ASIJAGJAAXTXLU-INIZCTEOSA-N -1 1 360.435 2.087 20 0 FEADMM O=C(CCc1ccsc1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130511835 326558314 /nfs/dbraw/zinc/55/83/14/326558314.db2.gz KTGKQTYWAMPIDM-UHFFFAOYSA-N -1 1 366.464 2.466 20 0 FEADMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000133188441 326604481 /nfs/dbraw/zinc/60/44/81/326604481.db2.gz BPHXXGGUDZLROX-SSDOTTSWSA-N -1 1 357.284 2.344 20 0 FEADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000135519731 326642943 /nfs/dbraw/zinc/64/29/43/326642943.db2.gz KMEPBGBVQWKEHV-JTQLQIEISA-N -1 1 368.842 2.445 20 0 FEADMM CN(C[C@@H]1CCCN1c1cccnn1)C(=O)c1c([O-])cnc2ccccc21 ZINC000136906719 326656257 /nfs/dbraw/zinc/65/62/57/326656257.db2.gz BIIXYLJYKDEOHX-AWEZNQCLSA-N -1 1 363.421 2.471 20 0 FEADMM NC(=O)[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000137125992 326658151 /nfs/dbraw/zinc/65/81/51/326658151.db2.gz JWIQNUNKIZVZKK-ZDUSSCGKSA-N -1 1 367.174 2.250 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCCC1 ZINC000151040447 326673460 /nfs/dbraw/zinc/67/34/60/326673460.db2.gz FDCCMNRXURWUEI-UHFFFAOYSA-N -1 1 370.780 2.260 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2c(C)[nH]c3ccccc32)c1 ZINC000152602548 326711598 /nfs/dbraw/zinc/71/15/98/326711598.db2.gz JUJYDVDCSCRLRY-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000152695851 326714114 /nfs/dbraw/zinc/71/41/14/326714114.db2.gz OLDGLWFLTQWQSY-UHFFFAOYSA-N -1 1 374.422 2.327 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc([O-])cc1F ZINC000154843848 326770539 /nfs/dbraw/zinc/77/05/39/326770539.db2.gz RWXSXEZANRGFDJ-SFHVURJKSA-N -1 1 356.397 2.495 20 0 FEADMM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000154982748 326774213 /nfs/dbraw/zinc/77/42/13/326774213.db2.gz VOKYPWGRUXLQFU-HNNXBMFYSA-N -1 1 356.397 2.495 20 0 FEADMM COCCOC(=O)c1sc2[n-]c(-c3cccc(F)n3)nc(=O)c2c1C ZINC000155142021 326779114 /nfs/dbraw/zinc/77/91/14/326779114.db2.gz UAOATYHFTYPLJD-UHFFFAOYSA-N -1 1 363.370 2.297 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(n2ccnn2)CC1 ZINC000155685414 326800137 /nfs/dbraw/zinc/80/01/37/326800137.db2.gz OIDKAUCVQWHCCZ-UHFFFAOYSA-N -1 1 351.204 2.224 20 0 FEADMM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000161662775 327005630 /nfs/dbraw/zinc/00/56/30/327005630.db2.gz ILUKXPIHUYBSFV-UHFFFAOYSA-N -1 1 350.425 2.256 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncnn3C)c2)c1 ZINC000162972647 327039532 /nfs/dbraw/zinc/03/95/32/327039532.db2.gz KQEOJLFXQKJBCH-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM Cn1c(Cc2csc(NC(=O)[C@@H]3Cc4ccccc4O3)n2)n[n-]c1=S ZINC000170688416 327094278 /nfs/dbraw/zinc/09/42/78/327094278.db2.gz ONJGBPXXSHZKHI-LBPRGKRZSA-N -1 1 373.463 2.467 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC000171290235 327129959 /nfs/dbraw/zinc/12/99/59/327129959.db2.gz WIMLDTPJZJYYEH-RNCFNFMXSA-N -1 1 354.414 2.470 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCOC1)c1cc(Br)c(F)cc1F ZINC000171421381 327138548 /nfs/dbraw/zinc/13/85/48/327138548.db2.gz PYESLYLPGZCNAK-QMMMGPOBSA-N -1 1 370.215 2.432 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)o1 ZINC000171984936 327174377 /nfs/dbraw/zinc/17/43/77/327174377.db2.gz WKRWTBPJWIVELQ-UHFFFAOYSA-N -1 1 350.396 2.229 20 0 FEADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)n1cncn1 ZINC000172130466 327182557 /nfs/dbraw/zinc/18/25/57/327182557.db2.gz RQNRQSLKYTVCIV-CYBMUJFWSA-N -1 1 371.422 2.279 20 0 FEADMM Cn1ccc(N2CCC[C@H](NC(=O)c3cc4ccccc4cc3[O-])C2=O)n1 ZINC000172840188 327222024 /nfs/dbraw/zinc/22/20/24/327222024.db2.gz FLKXFOUBSXGBJH-INIZCTEOSA-N -1 1 364.405 2.204 20 0 FEADMM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000174576401 327335840 /nfs/dbraw/zinc/33/58/40/327335840.db2.gz DMXQYPBZVGFVDP-AWEZNQCLSA-N -1 1 366.421 2.281 20 0 FEADMM C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000175060611 327371414 /nfs/dbraw/zinc/37/14/14/327371414.db2.gz KEDOTEBUWAAFST-KDCJFMNISA-N -1 1 359.518 2.165 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000175098905 327374061 /nfs/dbraw/zinc/37/40/61/327374061.db2.gz JKULHOXNLFQDNP-CQSZACIVSA-N -1 1 368.459 2.173 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000175098886 327374192 /nfs/dbraw/zinc/37/41/92/327374192.db2.gz JKULHOXNLFQDNP-AWEZNQCLSA-N -1 1 368.459 2.173 20 0 FEADMM O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1[O-] ZINC000175389682 327390298 /nfs/dbraw/zinc/39/02/98/327390298.db2.gz MTYKGTJDXXUUDP-CYBMUJFWSA-N -1 1 371.418 2.354 20 0 FEADMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1nn(-c2ccccc2F)cc1[O-] ZINC000175475578 327394911 /nfs/dbraw/zinc/39/49/11/327394911.db2.gz UJCBDGIMGIBCTA-UHFFFAOYSA-N -1 1 365.328 2.149 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000176255500 327444349 /nfs/dbraw/zinc/44/43/49/327444349.db2.gz DMVFPPBMLLQAFQ-QWRGUYRKSA-N -1 1 355.225 2.257 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000178142515 327567749 /nfs/dbraw/zinc/56/77/49/327567749.db2.gz MSSAANFINRHIDN-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3O)cc2)cc1 ZINC000178622856 327596373 /nfs/dbraw/zinc/59/63/73/327596373.db2.gz CNAXEALWRWAXOP-QZTJIDSGSA-N -1 1 374.462 2.439 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(OCCS(C)(=O)=O)c1 ZINC000263850330 328968256 /nfs/dbraw/zinc/96/82/56/328968256.db2.gz NPBUFRWDDPXYFY-UHFFFAOYSA-N -1 1 369.464 2.219 20 0 FEADMM CC1(C)CC(=O)c2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c(=O)[nH]c2C1 ZINC000264369381 329015426 /nfs/dbraw/zinc/01/54/26/329015426.db2.gz USDJCGNWRQTRJN-UHFFFAOYSA-N -1 1 369.303 2.332 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cncc([O-])c1 ZINC000264639758 329043613 /nfs/dbraw/zinc/04/36/13/329043613.db2.gz FBEHHEQCXXQATJ-UHFFFAOYSA-N -1 1 361.423 2.214 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)cc1 ZINC000265087142 329089187 /nfs/dbraw/zinc/08/91/87/329089187.db2.gz YXSVKIWMNRYBIW-UHFFFAOYSA-N -1 1 362.451 2.312 20 0 FEADMM CCC[C@@](C)(O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266553477 329235762 /nfs/dbraw/zinc/23/57/62/329235762.db2.gz PDSPMHPMVALCPW-LJQANCHMSA-N -1 1 358.442 2.153 20 0 FEADMM CCOC(=O)C1CCC(NC(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000267044739 329286167 /nfs/dbraw/zinc/28/61/67/329286167.db2.gz UTYVJHYTMBSOBD-UHFFFAOYSA-N -1 1 353.444 2.064 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]C2(c3noc(C4CC4)n3)CCCC2)no1 ZINC000267535682 329336447 /nfs/dbraw/zinc/33/64/47/329336447.db2.gz VJCJWMLKZDYEKS-UHFFFAOYSA-N -1 1 352.416 2.132 20 0 FEADMM CO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000267651862 329346865 /nfs/dbraw/zinc/34/68/65/329346865.db2.gz WJKNCUIGBFDWTD-INIZCTEOSA-N -1 1 360.435 2.348 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2(O)CCCCC2)c1 ZINC000267946386 329370814 /nfs/dbraw/zinc/37/08/14/329370814.db2.gz UPDULIWHFSQVGY-UHFFFAOYSA-N -1 1 370.471 2.056 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2ccccc2Br)cn1 ZINC000269590699 329532778 /nfs/dbraw/zinc/53/27/78/329532778.db2.gz DMCCEDNGBRSFJX-UHFFFAOYSA-N -1 1 360.233 2.093 20 0 FEADMM CCCOC(=O)c1ccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000270107454 329575285 /nfs/dbraw/zinc/57/52/85/329575285.db2.gz IIVUZDGDMOMGAP-UHFFFAOYSA-N -1 1 366.395 2.007 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)c1ccc(C)o1 ZINC000270301962 329589378 /nfs/dbraw/zinc/58/93/78/329589378.db2.gz WXPIZDJHBBWUCF-ZDUSSCGKSA-N -1 1 371.386 2.180 20 0 FEADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272135817 329754828 /nfs/dbraw/zinc/75/48/28/329754828.db2.gz NRCHPTSBTRPPHL-OZVIIMIRSA-N -1 1 370.471 2.352 20 0 FEADMM CCC(CC)n1ncc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1C ZINC000272140455 329755224 /nfs/dbraw/zinc/75/52/24/329755224.db2.gz OUVXXEVDMSEKDS-UHFFFAOYSA-N -1 1 366.443 2.158 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[C@@H]2CCO[C@H]21 ZINC000272183838 329758509 /nfs/dbraw/zinc/75/85/09/329758509.db2.gz JNHRAXKQHHBGBU-WHGOUJPWSA-N -1 1 351.255 2.480 20 0 FEADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000272590260 329794519 /nfs/dbraw/zinc/79/45/19/329794519.db2.gz MRINNEYXFLTEBS-CHWSQXEVSA-N -1 1 370.471 2.034 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1Cl ZINC000273403018 329862177 /nfs/dbraw/zinc/86/21/77/329862177.db2.gz HDNDBINXTOGRGC-STQMWFEESA-N -1 1 373.837 2.411 20 0 FEADMM CCOc1cc(C(=O)NCCC2N=NC(=S)N2CC)cc(Cl)c1[O-] ZINC000273914925 329901963 /nfs/dbraw/zinc/90/19/63/329901963.db2.gz DNAYUPBBSJVLOW-UHFFFAOYSA-N -1 1 370.862 2.317 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)[C@@]12CCCO2 ZINC000274119132 329917377 /nfs/dbraw/zinc/91/73/77/329917377.db2.gz ANJIOYYXKTXNCA-QUJCMNEKSA-N -1 1 363.458 2.245 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)s1)c1ccc2c(c1)CCO2 ZINC000274341787 329939992 /nfs/dbraw/zinc/93/99/92/329939992.db2.gz BIWDIBOIXQSYMQ-HNNXBMFYSA-N -1 1 367.448 2.184 20 0 FEADMM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)NN1CC(=O)[N-]C1=O ZINC000275859339 330097137 /nfs/dbraw/zinc/09/71/37/330097137.db2.gz XLFPVCSQOSXRLH-UHFFFAOYSA-N -1 1 370.413 2.067 20 0 FEADMM COCC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccco1 ZINC000276166346 330125266 /nfs/dbraw/zinc/12/52/66/330125266.db2.gz HRFJABMTLQIBAD-NSHDSACASA-N -1 1 373.452 2.492 20 0 FEADMM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)nc1 ZINC000331767469 330199727 /nfs/dbraw/zinc/19/97/27/330199727.db2.gz DBQZPKDACXSCBX-CQSZACIVSA-N -1 1 354.410 2.290 20 0 FEADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)O1 ZINC000367094687 330216196 /nfs/dbraw/zinc/21/61/96/330216196.db2.gz ZVNVIBDWOZWLKE-XXHBBNRNSA-N -1 1 353.785 2.011 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)co1 ZINC000367122065 330219390 /nfs/dbraw/zinc/21/93/90/330219390.db2.gz WNQAIKHPMZJQHS-INIZCTEOSA-N -1 1 370.377 2.038 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@H](C)C(C)C)CC2)n1 ZINC000369326004 330239695 /nfs/dbraw/zinc/23/96/95/330239695.db2.gz BWCVTRSLIYKWEQ-LBPRGKRZSA-N -1 1 351.451 2.163 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC2(C)C)c(Br)o1 ZINC000805110220 674319315 /nfs/dbraw/zinc/31/93/15/674319315.db2.gz PYXFQFSJGDEIQT-VIFPVBQESA-N -1 1 366.233 2.296 20 0 FEADMM Cc1cc(Br)ccc1CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000554530280 674321973 /nfs/dbraw/zinc/32/19/73/674321973.db2.gz IGXQPCDJMNUWCC-UHFFFAOYSA-N -1 1 364.247 2.399 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(C2CC2)no1 ZINC000554664962 674328849 /nfs/dbraw/zinc/32/88/49/674328849.db2.gz KQKMDXXJHFATGD-ZDUSSCGKSA-N -1 1 365.411 2.351 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)c1 ZINC000555121828 674348737 /nfs/dbraw/zinc/34/87/37/674348737.db2.gz MLSFDLVCOPUGOK-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c(C(F)(F)F)n1 ZINC000555296668 674355407 /nfs/dbraw/zinc/35/54/07/674355407.db2.gz GCPNZYUFROFLAF-LLVKDONJSA-N -1 1 359.373 2.447 20 0 FEADMM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CC(C)(F)F)s1 ZINC000555407884 674359575 /nfs/dbraw/zinc/35/95/75/674359575.db2.gz SCSXDPCRGJIITN-UHFFFAOYSA-N -1 1 368.471 2.386 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl ZINC000555531297 674365052 /nfs/dbraw/zinc/36/50/52/674365052.db2.gz ZRGWMCAYQQKEEP-UHFFFAOYSA-N -1 1 364.210 2.498 20 0 FEADMM CCC[C@@H](NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C)c1nn[n-]n1 ZINC000155476919 545531083 /nfs/dbraw/zinc/53/10/83/545531083.db2.gz FYRONBUROLZLEK-CYBMUJFWSA-N -1 1 355.402 2.178 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCNC2=O)cc1 ZINC000477322992 561142196 /nfs/dbraw/zinc/14/21/96/561142196.db2.gz XHLCCXDDJAAUOL-UHFFFAOYSA-N -1 1 361.423 2.021 20 0 FEADMM COCCS(=O)(=O)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000159069458 545919085 /nfs/dbraw/zinc/91/90/85/545919085.db2.gz IXTHUBAEPBZBEB-UHFFFAOYSA-N -1 1 360.233 2.023 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)o1 ZINC000478786069 561174845 /nfs/dbraw/zinc/17/48/45/561174845.db2.gz ZKQFXISQUBLOKM-TZMCWYRMSA-N -1 1 359.444 2.328 20 0 FEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC000479135034 561182333 /nfs/dbraw/zinc/18/23/33/561182333.db2.gz HBPQPVDFHCXLLM-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000479207952 561184725 /nfs/dbraw/zinc/18/47/25/561184725.db2.gz TWUIPHZGSOXNCF-CJNGLKHVSA-N -1 1 365.407 2.265 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(OC)c2)o1 ZINC000479221121 561185087 /nfs/dbraw/zinc/18/50/87/561185087.db2.gz FSIVXZYEKPSLIJ-LBPRGKRZSA-N -1 1 367.423 2.374 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc2n(C)c1=O ZINC000479502714 561190790 /nfs/dbraw/zinc/19/07/90/561190790.db2.gz QCPHQRWSFSKJBV-UHFFFAOYSA-N -1 1 374.447 2.288 20 0 FEADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cn([C@@H]2CCOC2)nn1 ZINC000480163702 561203945 /nfs/dbraw/zinc/20/39/45/561203945.db2.gz JZUURPZHUCIDMG-SNVBAGLBSA-N -1 1 374.451 2.495 20 0 FEADMM Cc1cc(CS(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)on1 ZINC000480011271 561201223 /nfs/dbraw/zinc/20/12/23/561201223.db2.gz JQNKHMBYJMTMGL-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM Cc1cc(CS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)on1 ZINC000480011271 561201225 /nfs/dbraw/zinc/20/12/25/561201225.db2.gz JQNKHMBYJMTMGL-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c[nH]1 ZINC000480236403 561205626 /nfs/dbraw/zinc/20/56/26/561205626.db2.gz NAZBYDVSVWEMOA-UHFFFAOYSA-N -1 1 350.183 2.304 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000480264266 561206082 /nfs/dbraw/zinc/20/60/82/561206082.db2.gz MSJZYGCSVWVREW-KRWDZBQOSA-N -1 1 365.426 2.338 20 0 FEADMM COc1cc(NC(=O)c2ccnn2C(C)C)ccc1[N-]S(C)(=O)=O ZINC000480313317 561206983 /nfs/dbraw/zinc/20/69/83/561206983.db2.gz HPALSSIDNGNLQA-UHFFFAOYSA-N -1 1 352.416 2.096 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)C12CCCC2 ZINC000176484575 546452693 /nfs/dbraw/zinc/45/26/93/546452693.db2.gz LJKCLUGVERKMDX-RYUDHWBXSA-N -1 1 351.472 2.268 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1nn[n-]n1 ZINC000176764860 546485483 /nfs/dbraw/zinc/48/54/83/546485483.db2.gz JQJJCPAFTVOZIN-CYBMUJFWSA-N -1 1 354.370 2.316 20 0 FEADMM CCC[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000176779404 546486661 /nfs/dbraw/zinc/48/66/61/546486661.db2.gz RRKOGMQXZHYTHL-UONOGXRCSA-N -1 1 364.837 2.078 20 0 FEADMM CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000176779421 546486904 /nfs/dbraw/zinc/48/69/04/546486904.db2.gz RRKOGMQXZHYTHL-ZIAGYGMSSA-N -1 1 364.837 2.078 20 0 FEADMM CCC[C@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1nn[n-]n1 ZINC000176777908 546487279 /nfs/dbraw/zinc/48/72/79/546487279.db2.gz PNAHJCMEEKCLAG-HOTGVXAUSA-N -1 1 354.414 2.121 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccnc1OCc1ccccc1F)c1nn[n-]n1 ZINC000480566110 561212015 /nfs/dbraw/zinc/21/20/15/561212015.db2.gz XQANOVLEWRWYHI-LBPRGKRZSA-N -1 1 370.388 2.189 20 0 FEADMM Cc1c2ccccc2oc(=O)c1C(=O)NCCc1nnc([S-])n1C1CC1 ZINC000177204962 546570243 /nfs/dbraw/zinc/57/02/43/546570243.db2.gz FDOWIBPWWJPLOA-UHFFFAOYSA-N -1 1 370.434 2.289 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1 ZINC000480858447 561218502 /nfs/dbraw/zinc/21/85/02/561218502.db2.gz TVAGIIQGSNCBAZ-SECBINFHSA-N -1 1 358.341 2.409 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(CC)CC ZINC000177707622 546671548 /nfs/dbraw/zinc/67/15/48/546671548.db2.gz YDJGTUSOZGMSBS-CVEARBPZSA-N -1 1 374.485 2.282 20 0 FEADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000178143596 546745823 /nfs/dbraw/zinc/74/58/23/546745823.db2.gz LNJXYHABTOAWBG-UHFFFAOYSA-N -1 1 357.840 2.471 20 0 FEADMM O=C(N[C@@H]1CCC[C@H]1O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000178575116 546814111 /nfs/dbraw/zinc/81/41/11/546814111.db2.gz HQGUFVFNKQALSL-IAGOWNOFSA-N -1 1 360.435 2.131 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCOC3)cc2)cc1 ZINC000179003566 546885805 /nfs/dbraw/zinc/88/58/05/546885805.db2.gz JEWNPKVUMZNTGI-INIZCTEOSA-N -1 1 360.435 2.315 20 0 FEADMM CC(C)c1nc([C@@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)no1 ZINC000179523723 546971036 /nfs/dbraw/zinc/97/10/36/546971036.db2.gz CUUZHEBCNBCXDU-LBPRGKRZSA-N -1 1 356.386 2.158 20 0 FEADMM C[C@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])Cc1cccc(F)c1 ZINC000179537731 546973319 /nfs/dbraw/zinc/97/33/19/546973319.db2.gz SVKINUHMBIFCEJ-NSHDSACASA-N -1 1 366.414 2.386 20 0 FEADMM C[C@H]1CCc2c(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])csc2C1 ZINC000179537348 546973376 /nfs/dbraw/zinc/97/33/76/546973376.db2.gz UAXXYPDGPWGKBE-VIFPVBQESA-N -1 1 366.464 2.478 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1F ZINC000179541431 546974072 /nfs/dbraw/zinc/97/40/72/546974072.db2.gz USJVIKHUQGXVJO-JTQLQIEISA-N -1 1 352.387 2.311 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H](C(C)C)C1 ZINC000482313084 561252333 /nfs/dbraw/zinc/25/23/33/561252333.db2.gz LZHPTGDVITVCTK-QGZVFWFLSA-N -1 1 370.453 2.369 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H]1CC[C@H](C)C1 ZINC000482659418 561257901 /nfs/dbraw/zinc/25/79/01/561257901.db2.gz NOROZSARZHEGBB-SWLSCSKDSA-N -1 1 360.458 2.258 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000482870528 561261669 /nfs/dbraw/zinc/26/16/69/561261669.db2.gz XKEJHDTYAQQIMD-STQMWFEESA-N -1 1 357.385 2.109 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000180787474 547179941 /nfs/dbraw/zinc/17/99/41/547179941.db2.gz MQUTVBIZEWYBMQ-UHFFFAOYSA-N -1 1 363.421 2.370 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000181032543 547235481 /nfs/dbraw/zinc/23/54/81/547235481.db2.gz JKNGDHGTXSERKC-KXBFYZLASA-N -1 1 372.446 2.272 20 0 FEADMM C[C@H](O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000181072429 547244592 /nfs/dbraw/zinc/24/45/92/547244592.db2.gz ZHWVSEITJKAVJF-HOCLYGCPSA-N -1 1 374.462 2.330 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1F ZINC000181163387 547262050 /nfs/dbraw/zinc/26/20/50/547262050.db2.gz IBGQADGNLAXXLU-UHFFFAOYSA-N -1 1 362.386 2.431 20 0 FEADMM CC(C)c1cccc(CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000483352663 561274697 /nfs/dbraw/zinc/27/46/97/561274697.db2.gz CCNYZOXQMQXCFM-UHFFFAOYSA-N -1 1 360.487 2.276 20 0 FEADMM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181917105 547403820 /nfs/dbraw/zinc/40/38/20/547403820.db2.gz RKIUFGIIFXPSAG-BLLLJJGKSA-N -1 1 352.394 2.276 20 0 FEADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@@H](c2ccccc2)CO1 ZINC000182091413 547435600 /nfs/dbraw/zinc/43/56/00/547435600.db2.gz VFBGRBFENJWZIC-BLLLJJGKSA-N -1 1 352.394 2.276 20 0 FEADMM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000182218164 547456265 /nfs/dbraw/zinc/45/62/65/547456265.db2.gz ROWHVVDKIZVMEZ-JTQLQIEISA-N -1 1 356.357 2.204 20 0 FEADMM CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000182363895 547479810 /nfs/dbraw/zinc/47/98/10/547479810.db2.gz IQHPMNJXZWERHW-CQSZACIVSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)CO)c2)cc1 ZINC000182441505 547493867 /nfs/dbraw/zinc/49/38/67/547493867.db2.gz FAZJNRKJYWOUSI-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484118205 561291874 /nfs/dbraw/zinc/29/18/74/561291874.db2.gz RHEVSQRLAVUWHK-UHFFFAOYSA-N -1 1 354.395 2.457 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nn[n-]n1 ZINC000183402781 547651338 /nfs/dbraw/zinc/65/13/38/547651338.db2.gz ZTUNTXBWZIXXBT-LLVKDONJSA-N -1 1 370.438 2.389 20 0 FEADMM Cc1cc(CCC(=O)N(C)C[C@H](C)c2nn[n-]n2)ccc1Br ZINC000183423239 547656589 /nfs/dbraw/zinc/65/65/89/547656589.db2.gz OKEHUWKKJQONKM-NSHDSACASA-N -1 1 366.263 2.465 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1nn[n-]n1 ZINC000183454639 547663086 /nfs/dbraw/zinc/66/30/86/547663086.db2.gz CQHBIQGZRVPUOK-ZDUSSCGKSA-N -1 1 365.441 2.203 20 0 FEADMM CC(C)Cn1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cn1 ZINC000183595049 547687706 /nfs/dbraw/zinc/68/77/06/547687706.db2.gz XYVOKGLWMDQAIX-UHFFFAOYSA-N -1 1 354.407 2.302 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000484671494 561303043 /nfs/dbraw/zinc/30/30/43/561303043.db2.gz SDMFULHEERHTDM-UHFFFAOYSA-N -1 1 371.342 2.267 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)ccc2C(=O)[O-])cs1 ZINC000485210339 561314923 /nfs/dbraw/zinc/31/49/23/561314923.db2.gz QWWQUTIKTHCPNC-UHFFFAOYSA-N -1 1 371.392 2.042 20 0 FEADMM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1F)OCC(=O)N2 ZINC000485409157 561318645 /nfs/dbraw/zinc/31/86/45/561318645.db2.gz RMQPTINUCKRGCB-UHFFFAOYSA-N -1 1 370.333 2.105 20 0 FEADMM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185488309 547990997 /nfs/dbraw/zinc/99/09/97/547990997.db2.gz IQEGRRIBMOQYDX-UHFFFAOYSA-N -1 1 370.833 2.416 20 0 FEADMM CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000186611758 548159394 /nfs/dbraw/zinc/15/93/94/548159394.db2.gz MHPLAEGRPJXZLP-UHFFFAOYSA-N -1 1 371.412 2.448 20 0 FEADMM COc1ccc(F)c([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000187018987 548242409 /nfs/dbraw/zinc/24/24/09/548242409.db2.gz HILRPBLLPUFXAJ-UHFFFAOYSA-N -1 1 353.297 2.394 20 0 FEADMM CCCN(C(=O)CNC(=O)c1ncccc1[O-])[C@H]1CCc2ccccc21 ZINC000486498578 561349025 /nfs/dbraw/zinc/34/90/25/561349025.db2.gz PLWONXZZGOBHKK-INIZCTEOSA-N -1 1 353.422 2.443 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)c1 ZINC000486500188 561349054 /nfs/dbraw/zinc/34/90/54/561349054.db2.gz YRJVVYUBYQPHLG-UHFFFAOYSA-N -1 1 364.423 2.206 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c(C)o1 ZINC000486547240 561350488 /nfs/dbraw/zinc/35/04/88/561350488.db2.gz GRAUXMDMCJFGIE-UHFFFAOYSA-N -1 1 353.331 2.191 20 0 FEADMM C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195114122 548579978 /nfs/dbraw/zinc/57/99/78/548579978.db2.gz BEVLVXWHWMQMSK-VIFPVBQESA-N -1 1 370.862 2.202 20 0 FEADMM C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195114122 548579984 /nfs/dbraw/zinc/57/99/84/548579984.db2.gz BEVLVXWHWMQMSK-VIFPVBQESA-N -1 1 370.862 2.202 20 0 FEADMM CC(C)(C)c1noc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)n1 ZINC000195163001 548587244 /nfs/dbraw/zinc/58/72/44/548587244.db2.gz GWRZDRVFXFRRKJ-UHFFFAOYSA-N -1 1 367.456 2.111 20 0 FEADMM CC(C)(C)c1noc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000195163001 548587252 /nfs/dbraw/zinc/58/72/52/548587252.db2.gz GWRZDRVFXFRRKJ-UHFFFAOYSA-N -1 1 367.456 2.111 20 0 FEADMM C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195163055 548587465 /nfs/dbraw/zinc/58/74/65/548587465.db2.gz PVWINGJFLFRQKM-QMMMGPOBSA-N -1 1 365.440 2.252 20 0 FEADMM C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195163055 548587469 /nfs/dbraw/zinc/58/74/69/548587469.db2.gz PVWINGJFLFRQKM-QMMMGPOBSA-N -1 1 365.440 2.252 20 0 FEADMM CC(C)(C)c1nc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)no1 ZINC000195164141 548587491 /nfs/dbraw/zinc/58/74/91/548587491.db2.gz BVIXDADOWSADOG-UHFFFAOYSA-N -1 1 367.456 2.111 20 0 FEADMM CC(C)(C)c1nc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)no1 ZINC000195164141 548587499 /nfs/dbraw/zinc/58/74/99/548587499.db2.gz BVIXDADOWSADOG-UHFFFAOYSA-N -1 1 367.456 2.111 20 0 FEADMM O=C(NCCOCC1CC1)c1ccc(I)c([O-])c1 ZINC000230894141 548760914 /nfs/dbraw/zinc/76/09/14/548760914.db2.gz CPGFZQZCQSDUGZ-UHFFFAOYSA-N -1 1 361.179 2.153 20 0 FEADMM CN(C)c1cnc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cn1 ZINC000487497511 561370823 /nfs/dbraw/zinc/37/08/23/561370823.db2.gz BNZWYZXEKQSITC-UHFFFAOYSA-N -1 1 364.178 2.348 20 0 FEADMM COc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(O)c1 ZINC000245745915 548987441 /nfs/dbraw/zinc/98/74/41/548987441.db2.gz GRXAVQIVUKHZRD-QFBILLFUSA-N -1 1 370.449 2.014 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000489510744 561413303 /nfs/dbraw/zinc/41/33/03/561413303.db2.gz OWTCBZXRCNEMBC-HOTGVXAUSA-N -1 1 353.422 2.045 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc(C(=O)[O-])c1C ZINC000248900166 549524668 /nfs/dbraw/zinc/52/46/68/549524668.db2.gz WVWVPTLUIHFQOF-TZMCWYRMSA-N -1 1 368.499 2.400 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3CC[C@@H](C(=O)OC(C)(C)C)C3)c2=O)[nH+]1 ZINC000490003510 561424411 /nfs/dbraw/zinc/42/44/11/561424411.db2.gz WYDCNMCXEUVHHN-GFCCVEGCSA-N -1 1 357.410 2.448 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1)c2=O ZINC000490003510 561424413 /nfs/dbraw/zinc/42/44/13/561424413.db2.gz WYDCNMCXEUVHHN-GFCCVEGCSA-N -1 1 357.410 2.448 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)sc1C(=O)[O-] ZINC000261803195 549757057 /nfs/dbraw/zinc/75/70/57/549757057.db2.gz FVBFBDMKMPOWOY-CMPLNLGQSA-N -1 1 360.501 2.153 20 0 FEADMM O=C([O-])CS(=O)(=O)CCN(CCc1ccccc1F)C1CCCC1 ZINC000262242935 549801379 /nfs/dbraw/zinc/80/13/79/549801379.db2.gz ALSWNAPEOKEHAK-UHFFFAOYSA-N -1 1 357.447 2.112 20 0 FEADMM O=C([O-])CS(=O)(=O)CCN(CCc1ccc(F)cc1)C1CCCC1 ZINC000262248324 549802505 /nfs/dbraw/zinc/80/25/05/549802505.db2.gz BYXRCFIYBVHQIL-UHFFFAOYSA-N -1 1 357.447 2.112 20 0 FEADMM CCOc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)[O-])CC2)cc1OC ZINC000262610331 549832264 /nfs/dbraw/zinc/83/22/64/549832264.db2.gz BSSVFKKLSIXFBF-ZDUSSCGKSA-N -1 1 364.442 2.068 20 0 FEADMM Cc1c2nc(NC(=O)CNC(=O)c3ncccc3[O-])sc2ccc1F ZINC000490436553 561433087 /nfs/dbraw/zinc/43/30/87/561433087.db2.gz VHGFIPXWACZBQQ-UHFFFAOYSA-N -1 1 360.370 2.213 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])n[nH]2)cc1 ZINC000263060758 549874793 /nfs/dbraw/zinc/87/47/93/549874793.db2.gz SQJFOFHDMXXOQY-JDFRZJQESA-N -1 1 355.394 2.411 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNc3cnc(C(=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000263449325 549902438 /nfs/dbraw/zinc/90/24/38/549902438.db2.gz ZWIXZQQSJISHJS-OKILXGFUSA-N -1 1 356.426 2.396 20 0 FEADMM O=C([O-])C1CCC(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000263514690 549906747 /nfs/dbraw/zinc/90/67/47/549906747.db2.gz ZZCKRYQPEAKZJG-ROKHWSDSSA-N -1 1 361.446 2.215 20 0 FEADMM CC(=O)N(CCC(=O)Nc1n[n-]c(C(F)(F)F)n1)Cc1ccccc1 ZINC000263788339 549937564 /nfs/dbraw/zinc/93/75/64/549937564.db2.gz JKDKSWISGCCLKW-UHFFFAOYSA-N -1 1 355.320 2.201 20 0 FEADMM CSc1n[nH]c(NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)n1 ZINC000263869973 549948508 /nfs/dbraw/zinc/94/85/08/549948508.db2.gz LSBWHNIGPQOEFR-VIFPVBQESA-N -1 1 363.468 2.240 20 0 FEADMM CCC[C@@H](NC(=O)CCSc1ccc2c(c1)OCCO2)c1nn[n-]n1 ZINC000268258486 550041442 /nfs/dbraw/zinc/04/14/42/550041442.db2.gz YQWSJQLHRRTLAS-GFCCVEGCSA-N -1 1 363.443 2.111 20 0 FEADMM COc1cc(OC)cc(N2CCCN(C(=O)c3cncc([O-])c3)CC2)c1 ZINC000268448420 550067730 /nfs/dbraw/zinc/06/77/30/550067730.db2.gz QQZLSFNTWVUTKQ-UHFFFAOYSA-N -1 1 357.410 2.157 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H](O)C1CCCCC1 ZINC000268556338 550086631 /nfs/dbraw/zinc/08/66/31/550086631.db2.gz NPHCSTFGPQKWHZ-QGZVFWFLSA-N -1 1 370.453 2.153 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)OC)c1ccc(C)o1 ZINC000269831238 550228931 /nfs/dbraw/zinc/22/89/31/550228931.db2.gz PCIQDMXOEOZHDT-ZDUSSCGKSA-N -1 1 353.396 2.041 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)CC(=O)c2ccccc2)c1 ZINC000270309291 550260872 /nfs/dbraw/zinc/26/08/72/550260872.db2.gz YJDITMHQOKYRQV-LLVKDONJSA-N -1 1 351.380 2.006 20 0 FEADMM CC(C)[C@H](O)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271237069 550356373 /nfs/dbraw/zinc/35/63/73/550356373.db2.gz FHEISSUPVRFJHL-GFCCVEGCSA-N -1 1 364.320 2.250 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)c(=O)[n-]1 ZINC000271334462 550365776 /nfs/dbraw/zinc/36/57/76/550365776.db2.gz GBRIPWCMIZCKAT-GXTWGEPZSA-N -1 1 353.488 2.465 20 0 FEADMM O=S(=O)([N-][C@H]1CCCc2cn[nH]c21)c1c(F)c(F)c(F)c(F)c1F ZINC000271741545 550398744 /nfs/dbraw/zinc/39/87/44/550398744.db2.gz ACXFEZMIRMRJCT-LURJTMIESA-N -1 1 367.299 2.461 20 0 FEADMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)CCO1 ZINC000272146144 550425872 /nfs/dbraw/zinc/42/58/72/550425872.db2.gz LACUCQBDZZOWPH-KBPBESRZSA-N -1 1 359.444 2.328 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@]1(C)CCCO ZINC000273342703 550494917 /nfs/dbraw/zinc/49/49/17/550494917.db2.gz RAJGSMVWKUGNJO-FQEVSTJZSA-N -1 1 370.453 2.249 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)c1 ZINC000274118206 550523790 /nfs/dbraw/zinc/52/37/90/550523790.db2.gz ZTJBMRVDYSYVCI-GFCCVEGCSA-N -1 1 356.382 2.127 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccon1)c1cccc(C)c1C ZINC000274637292 550547356 /nfs/dbraw/zinc/54/73/56/550547356.db2.gz LKDXSIHZFIOBOD-OAHLLOKOSA-N -1 1 352.412 2.015 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000276724921 550589417 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FEADMM Cc1ncc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C2CC2)n1 ZINC000291525237 552634049 /nfs/dbraw/zinc/63/40/49/552634049.db2.gz YVCPQVFKKPIZNW-LLVKDONJSA-N -1 1 370.375 2.193 20 0 FEADMM C[C@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1ccccn1 ZINC000291708918 552653366 /nfs/dbraw/zinc/65/33/66/552653366.db2.gz PQKCZQFUYALCGE-DMDPSCGWSA-N -1 1 358.364 2.384 20 0 FEADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000291915354 552674452 /nfs/dbraw/zinc/67/44/52/552674452.db2.gz TYVJESNZOSOCEP-UHFFFAOYSA-N -1 1 367.427 2.267 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3F)C2)c1Cl ZINC000292124316 552696413 /nfs/dbraw/zinc/69/64/13/552696413.db2.gz NJOVQBAUWXPHSQ-LLVKDONJSA-N -1 1 372.853 2.017 20 0 FEADMM Cc1ccc(NC(=O)c2cncc([O-])c2)c(C)c1S(=O)(=O)NC1CC1 ZINC000292519542 552734452 /nfs/dbraw/zinc/73/44/52/552734452.db2.gz BOXLLFOGZSYGRX-UHFFFAOYSA-N -1 1 361.423 2.097 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C(C)C)[C@H]1CCOC1 ZINC000292775761 552757612 /nfs/dbraw/zinc/75/76/12/552757612.db2.gz JFBLEJXUXVVMIY-HNNXBMFYSA-N -1 1 356.426 2.121 20 0 FEADMM CC1(C)CN(Cc2nc(=O)[n-][nH]2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292795373 552759275 /nfs/dbraw/zinc/75/92/75/552759275.db2.gz VUINSDJARMXEGZ-GFCCVEGCSA-N -1 1 356.348 2.469 20 0 FEADMM CC(=O)Nc1ccc(NC(C)=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000293300697 552809213 /nfs/dbraw/zinc/80/92/13/552809213.db2.gz IJLFVPZTDBTPCG-RVDMUPIBSA-N -1 1 374.466 2.230 20 0 FEADMM COC[C@@H]1CCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000293775483 552855324 /nfs/dbraw/zinc/85/53/24/552855324.db2.gz BBXNYDRSCKWZRZ-JTQLQIEISA-N -1 1 362.304 2.364 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](O)C23CCCC3)c(=O)[n-]1 ZINC000294275407 552893416 /nfs/dbraw/zinc/89/34/16/552893416.db2.gz SUGBSEJDDGVGQY-ZDUSSCGKSA-N -1 1 351.472 2.051 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C(C)(C)c2ccc3c(c2)OCO3)[nH]n1 ZINC000294804946 552935500 /nfs/dbraw/zinc/93/55/00/552935500.db2.gz AHBAQGVZZNIORH-UHFFFAOYSA-N -1 1 353.382 2.455 20 0 FEADMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000295262274 552977940 /nfs/dbraw/zinc/97/79/40/552977940.db2.gz LIWPLIQPNRUAIK-QMMMGPOBSA-N -1 1 371.684 2.184 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000295756865 553055261 /nfs/dbraw/zinc/05/52/61/553055261.db2.gz VIWXFCMYMNFOAO-UHFFFAOYSA-N -1 1 361.398 2.048 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC3)c2)c1 ZINC000502345909 561616507 /nfs/dbraw/zinc/61/65/07/561616507.db2.gz MYBOFMRGBKVYOK-INIZCTEOSA-N -1 1 360.435 2.315 20 0 FEADMM Cc1cccnc1CCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000296733179 553204360 /nfs/dbraw/zinc/20/43/60/553204360.db2.gz MTURTCDZESMFKY-CYBMUJFWSA-N -1 1 372.391 2.033 20 0 FEADMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)[C@@H]1CCC(=O)N1 ZINC000600964658 553332357 /nfs/dbraw/zinc/33/23/57/553332357.db2.gz ONQITBODUOWIJG-LURJTMIESA-N -1 1 355.217 2.118 20 0 FEADMM CNC(=O)c1[nH]nnc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000297829371 553344256 /nfs/dbraw/zinc/34/42/56/553344256.db2.gz VQAMDRPQALJZIC-IUCAKERBSA-N -1 1 354.197 2.213 20 0 FEADMM Clc1ccccc1-n1c(SCc2nn[n-]n2)nnc1N1CCCC1 ZINC000298291567 553408696 /nfs/dbraw/zinc/40/86/96/553408696.db2.gz FUQGTOOPZSMIJT-UHFFFAOYSA-N -1 1 362.850 2.326 20 0 FEADMM Cc1ncsc1CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000298492453 553431866 /nfs/dbraw/zinc/43/18/66/553431866.db2.gz SHKQNISNFBVWCJ-GHMZBOCLSA-N -1 1 363.405 2.442 20 0 FEADMM COc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc(C)n1 ZINC000503554893 561644410 /nfs/dbraw/zinc/64/44/10/561644410.db2.gz VNDIGTUZYJQLOX-UHFFFAOYSA-N -1 1 353.375 2.162 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCCCO2)o1 ZINC000504103598 561653204 /nfs/dbraw/zinc/65/32/04/561653204.db2.gz MFIZUIJREAZLFS-LBPRGKRZSA-N -1 1 358.460 2.045 20 0 FEADMM CCCCOCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000299320015 553547491 /nfs/dbraw/zinc/54/74/91/553547491.db2.gz BUSDGAHNZQRJDJ-UHFFFAOYSA-N -1 1 359.448 2.005 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)o1 ZINC000299665649 553599881 /nfs/dbraw/zinc/59/98/81/553599881.db2.gz YXYYHJQSOWAATN-HNNXBMFYSA-N -1 1 362.451 2.425 20 0 FEADMM C[C@@H]1OCC[C@]1(C)NC(=O)c1cc(I)ccc1[O-] ZINC000300422483 553617254 /nfs/dbraw/zinc/61/72/54/553617254.db2.gz OTMKZHWJTKKRCO-SDBXPKJASA-N -1 1 361.179 2.294 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@@H]3C(=O)NC3CC3)nc2)[n-]c(=O)c1C ZINC000302665312 553724586 /nfs/dbraw/zinc/72/45/86/553724586.db2.gz MLIXVPCNENWLAN-OAHLLOKOSA-N -1 1 353.426 2.108 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H](CO)C1)c1sccc1Br ZINC000310730511 553753156 /nfs/dbraw/zinc/75/31/56/553753156.db2.gz MPFSWTRBQNPEGX-DTWKUNHWSA-N -1 1 354.291 2.340 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(C(C)C)cc1 ZINC000324411924 553771949 /nfs/dbraw/zinc/77/19/49/553771949.db2.gz KOWNYKUKEGENCN-UHFFFAOYSA-N -1 1 351.428 2.188 20 0 FEADMM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505744779 561679030 /nfs/dbraw/zinc/67/90/30/561679030.db2.gz SOTWCCASDIMFSU-CYBMUJFWSA-N -1 1 366.439 2.209 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000506552233 561701748 /nfs/dbraw/zinc/70/17/48/561701748.db2.gz DBAZWGKYABDSPM-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM Cc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)ccc1C(N)=O ZINC000506631782 561704405 /nfs/dbraw/zinc/70/44/05/561704405.db2.gz JXBLLAVHSKHLAN-UHFFFAOYSA-N -1 1 351.428 2.321 20 0 FEADMM CCc1nc(C(=O)N=c2nc(C(F)(F)F)[n-][nH]2)nn1-c1ccccc1 ZINC000605123127 553952288 /nfs/dbraw/zinc/95/22/88/553952288.db2.gz ASFGEOAMLKSSNF-UHFFFAOYSA-N -1 1 351.292 2.219 20 0 FEADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000329600349 553974557 /nfs/dbraw/zinc/97/45/57/553974557.db2.gz XCZVNCOYRAHUPC-RFXMVYNHSA-N -1 1 353.831 2.782 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000329748792 553998895 /nfs/dbraw/zinc/99/88/95/553998895.db2.gz FRAZFOGVUIHYFN-DOTOQJQBSA-N -1 1 368.437 2.123 20 0 FEADMM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1cccc(F)c1F ZINC000507429330 561729358 /nfs/dbraw/zinc/72/93/58/561729358.db2.gz MEGIBXBDCFYPIO-UHFFFAOYSA-N -1 1 364.377 2.083 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000507528894 561731864 /nfs/dbraw/zinc/73/18/64/561731864.db2.gz KYXJUJVYGWPEMW-BLIJAFNYSA-N -1 1 351.406 2.221 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000507567456 561733514 /nfs/dbraw/zinc/73/35/14/561733514.db2.gz QJYSHADYTUNPQB-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM O=C(N=c1[n-]nc(CC(F)(F)F)s1)N1CCC(c2cnc[nH]2)CC1 ZINC000330120617 554068184 /nfs/dbraw/zinc/06/81/84/554068184.db2.gz JEEWUUSIVKWFSS-UHFFFAOYSA-N -1 1 360.365 2.778 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000330187747 554080798 /nfs/dbraw/zinc/08/07/98/554080798.db2.gz UAEJAKZELBIKJS-AWEZNQCLSA-N -1 1 363.458 2.056 20 0 FEADMM Cn1ncc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1Cc1ccccc1 ZINC000507862568 561743752 /nfs/dbraw/zinc/74/37/52/561743752.db2.gz KUSJBIWDYUCXLQ-AWEZNQCLSA-N -1 1 367.409 2.119 20 0 FEADMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1cccc(Br)c1 ZINC000330598918 554143264 /nfs/dbraw/zinc/14/32/64/554143264.db2.gz TXEOYONRFSOMLO-JTQLQIEISA-N -1 1 374.178 2.449 20 0 FEADMM Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000330796321 554172474 /nfs/dbraw/zinc/17/24/74/554172474.db2.gz XNCBJYNPUPDVIV-UHFFFAOYSA-N -1 1 352.416 2.016 20 0 FEADMM CCOc1cc(C(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)cc(Cl)c1[O-] ZINC000330874819 554181715 /nfs/dbraw/zinc/18/17/15/554181715.db2.gz INMFVKMIXOQPOE-LBPRGKRZSA-N -1 1 354.834 2.385 20 0 FEADMM C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000508377542 561760586 /nfs/dbraw/zinc/76/05/86/561760586.db2.gz BVHLRTIKHNCFNQ-ZBFHGGJFSA-N -1 1 353.422 2.169 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCc1c[nH]c2ccc(Cl)cc12 ZINC000508396706 561761172 /nfs/dbraw/zinc/76/11/72/561761172.db2.gz XQBGCZLZWJOXSA-UHFFFAOYSA-N -1 1 372.812 2.011 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](CC(N)=O)C2)c(=O)[n-]1 ZINC000331000164 554199597 /nfs/dbraw/zinc/19/95/97/554199597.db2.gz NSRCHKFDBILIFT-LLVKDONJSA-N -1 1 352.460 2.309 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CCCC[C@H]2O)o1 ZINC000331055239 554207347 /nfs/dbraw/zinc/20/73/47/554207347.db2.gz KNRHTHPZFPHLSI-CXAGYDPISA-N -1 1 372.487 2.027 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000331241887 554235284 /nfs/dbraw/zinc/23/52/84/554235284.db2.gz PCPBDUJXSDZWPO-YFKPBYRVSA-N -1 1 366.262 2.429 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)s1 ZINC000331241887 554235285 /nfs/dbraw/zinc/23/52/85/554235285.db2.gz PCPBDUJXSDZWPO-YFKPBYRVSA-N -1 1 366.262 2.429 20 0 FEADMM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331264691 554238728 /nfs/dbraw/zinc/23/87/28/554238728.db2.gz GLOWAORRMSOIIS-ZCFIWIBFSA-N -1 1 362.698 2.459 20 0 FEADMM CC(C)c1nc(C(=O)[N-]c2nn3cnnc3s2)nn1-c1ccccc1F ZINC000608350852 554259623 /nfs/dbraw/zinc/25/96/23/554259623.db2.gz YNIOTRUWCHUMII-UHFFFAOYSA-N -1 1 372.389 2.281 20 0 FEADMM COc1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc(Cl)c1[O-] ZINC000331408706 554259975 /nfs/dbraw/zinc/25/99/75/554259975.db2.gz QUZAUDRRRYWHAV-GFCCVEGCSA-N -1 1 370.858 2.192 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)c1 ZINC000509089437 561784496 /nfs/dbraw/zinc/78/44/96/561784496.db2.gz LODMJUJMHAACLO-UHFFFAOYSA-N -1 1 365.480 2.497 20 0 FEADMM CC(=O)N1CC[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1 ZINC000331647372 554301417 /nfs/dbraw/zinc/30/14/17/554301417.db2.gz QPULQCKDXUBGDM-CQSZACIVSA-N -1 1 373.453 2.262 20 0 FEADMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000331763716 554322242 /nfs/dbraw/zinc/32/22/42/554322242.db2.gz JTYZZBJRCDESGP-LCIHJAJSSA-N -1 1 360.682 2.356 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000331914426 554345767 /nfs/dbraw/zinc/34/57/67/554345767.db2.gz NJRWUHLQHWCONQ-WCQYABFASA-N -1 1 353.802 2.264 20 0 FEADMM Cc1c([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2F)cnn1C ZINC000332021475 554365087 /nfs/dbraw/zinc/36/50/87/554365087.db2.gz QAIZCBXZIZMOML-DZGCQCFKSA-N -1 1 373.837 2.330 20 0 FEADMM CCCC(=O)Nc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509612417 561807397 /nfs/dbraw/zinc/80/73/97/561807397.db2.gz YIKUMOKTAZFUEE-UHFFFAOYSA-N -1 1 351.384 2.252 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)C[C@H](C)O ZINC000510008296 561821643 /nfs/dbraw/zinc/82/16/43/561821643.db2.gz QMZSYGCZWOTEBE-YUMQZZPRSA-N -1 1 370.254 2.218 20 0 FEADMM CCn1cc([C@H]2CN(C(=O)c3cc(Cl)c([O-])c(OC)c3)CCO2)cn1 ZINC000332300349 554420121 /nfs/dbraw/zinc/42/01/21/554420121.db2.gz HSHIFQSAGFTAQI-OAHLLOKOSA-N -1 1 365.817 2.484 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCSc1ccc(Cl)cc1 ZINC000509901353 561817688 /nfs/dbraw/zinc/81/76/88/561817688.db2.gz VVYNFZQYDMSWSP-UHFFFAOYSA-N -1 1 365.842 2.079 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1OC1CCCC1 ZINC000509954325 561819718 /nfs/dbraw/zinc/81/97/18/561819718.db2.gz BAFOXUOHINNNFT-UHFFFAOYSA-N -1 1 355.394 2.477 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)[n-]1 ZINC000510003278 561821517 /nfs/dbraw/zinc/82/15/17/561821517.db2.gz TXNPOJWRCVEEJH-CQSZACIVSA-N -1 1 358.398 2.101 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)n1 ZINC000510003278 561821518 /nfs/dbraw/zinc/82/15/18/561821518.db2.gz TXNPOJWRCVEEJH-CQSZACIVSA-N -1 1 358.398 2.101 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccccc2Oc2cnn(C)c2)n1 ZINC000510001945 561821536 /nfs/dbraw/zinc/82/15/36/561821536.db2.gz JAEFVCQHBAYJNU-UHFFFAOYSA-N -1 1 355.354 2.365 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](CNC(=O)C(C)C)C3)cnc2n1 ZINC000332543681 554468468 /nfs/dbraw/zinc/46/84/68/554468468.db2.gz ZFHJAULYQGTLDS-AWEZNQCLSA-N -1 1 370.453 2.268 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1)c2=O ZINC000332543681 554468471 /nfs/dbraw/zinc/46/84/71/554468471.db2.gz ZFHJAULYQGTLDS-AWEZNQCLSA-N -1 1 370.453 2.268 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000332681852 554496160 /nfs/dbraw/zinc/49/61/60/554496160.db2.gz USWDCDNQNSBXNM-UHFFFAOYSA-N -1 1 373.478 2.490 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)c1ccccc1OC)(C(=O)OC)c1ccccc1 ZINC000510557767 561838824 /nfs/dbraw/zinc/83/88/24/561838824.db2.gz GGLWJTXOLAZFKP-SFHVURJKSA-N -1 1 363.435 2.452 20 0 FEADMM C[C@@H](N=c1ccc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n[n-]1)c1ccccc1 ZINC000333538512 554622414 /nfs/dbraw/zinc/62/24/14/554622414.db2.gz ZMLRDHKGDIENQN-JXXFODFXSA-N -1 1 354.454 3.034 20 0 FEADMM Cc1cccc2c(=O)c(C(=O)N3CCC4(CCC4)S(=O)(=O)CC3)c[nH]c12 ZINC000333982083 554664499 /nfs/dbraw/zinc/66/44/99/554664499.db2.gz CONWHQXDALBQOZ-UHFFFAOYSA-N -1 1 374.462 2.020 20 0 FEADMM CC[C@H]1NC(=O)N(Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1=O ZINC000348789198 554699599 /nfs/dbraw/zinc/69/95/99/554699599.db2.gz CLDOYVYRADZTEC-OAHLLOKOSA-N -1 1 373.434 2.318 20 0 FEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)CNC(=O)c1ncccc1[O-])CCC2 ZINC000511301825 561864460 /nfs/dbraw/zinc/86/44/60/561864460.db2.gz SFFSHECCODISSY-GFCCVEGCSA-N -1 1 374.466 2.072 20 0 FEADMM CCc1nn(C)cc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000350552676 554797529 /nfs/dbraw/zinc/79/75/29/554797529.db2.gz LQQQYYVAMMRUAD-VIFPVBQESA-N -1 1 367.456 2.134 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@H]2CCOC[C@H]2C)no1 ZINC000350600744 554801308 /nfs/dbraw/zinc/80/13/08/554801308.db2.gz RSWFJBGTRKGKBX-RISCZKNCSA-N -1 1 367.409 2.254 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCOC(C)(C)C1 ZINC000359955925 554857177 /nfs/dbraw/zinc/85/71/77/554857177.db2.gz JUJRTKZMCUMJRM-UHFFFAOYSA-N -1 1 356.426 2.123 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@H](C3CC3)C2)cc1[N-]S(C)(=O)=O ZINC000362397226 554969438 /nfs/dbraw/zinc/96/94/38/554969438.db2.gz RKNOEQXBYGEKFP-LBPRGKRZSA-N -1 1 353.444 2.331 20 0 FEADMM CC(C)NC(=O)CN1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000362470078 554973809 /nfs/dbraw/zinc/97/38/09/554973809.db2.gz NNTYIZZXBLMUHA-UHFFFAOYSA-N -1 1 369.465 2.218 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)o1 ZINC000362877686 554995381 /nfs/dbraw/zinc/99/53/81/554995381.db2.gz DTQHYMQZRQBNLF-OAHLLOKOSA-N -1 1 365.407 2.049 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)n[nH]1 ZINC000363086408 555027344 /nfs/dbraw/zinc/02/73/44/555027344.db2.gz WIAKDOYFZHGNPW-UHFFFAOYSA-N -1 1 372.406 2.352 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000363165383 555043903 /nfs/dbraw/zinc/04/39/03/555043903.db2.gz CPUKVEYBQIQCNZ-OAHLLOKOSA-N -1 1 359.478 2.008 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)co1 ZINC000363168410 555044463 /nfs/dbraw/zinc/04/44/63/555044463.db2.gz XYIDBNJGNYHSKM-KRWDZBQOSA-N -1 1 371.418 2.102 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccn2)C2CCCC2)o1 ZINC000363274146 555069167 /nfs/dbraw/zinc/06/91/67/555069167.db2.gz IZBDHSNDUZFCDW-INIZCTEOSA-N -1 1 363.439 2.244 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000363317108 555077189 /nfs/dbraw/zinc/07/71/89/555077189.db2.gz UQDBUCVDPKYJRC-ZDUSSCGKSA-N -1 1 372.450 2.056 20 0 FEADMM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000363324104 555078514 /nfs/dbraw/zinc/07/85/14/555078514.db2.gz JPGKQFUIVHOIQO-GFCCVEGCSA-N -1 1 361.423 2.475 20 0 FEADMM Nc1n[nH]c(C2CCN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)CC2)n1 ZINC000614991231 555146228 /nfs/dbraw/zinc/14/62/28/555146228.db2.gz ODRSXEOEASSVMF-UHFFFAOYSA-N -1 1 355.320 2.131 20 0 FEADMM COc1cc(OC)cc([C@H](NC(=O)c2ncccc2[O-])c2nccn2C)c1 ZINC000363812698 555191485 /nfs/dbraw/zinc/19/14/85/555191485.db2.gz BTHWSRBYFABWHH-INIZCTEOSA-N -1 1 368.393 2.057 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)C(=O)NCCCc2ccccc2)c1Br ZINC000616009913 555263135 /nfs/dbraw/zinc/26/31/35/555263135.db2.gz DYOPMESCQLUDGS-UHFFFAOYSA-N -1 1 365.231 2.168 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)c2cccs2)c1Br ZINC000616012899 555263574 /nfs/dbraw/zinc/26/35/74/555263574.db2.gz QKFMMNTYOPGIRK-ZETCQYMHSA-N -1 1 357.233 2.299 20 0 FEADMM COc1cc(NC(=O)Cn2cnc3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000512467647 561906428 /nfs/dbraw/zinc/90/64/28/561906428.db2.gz DZOHXGCEMNOURT-UHFFFAOYSA-N -1 1 374.422 2.055 20 0 FEADMM Cc1cccc([C@H](NC(=O)CNC(=O)c2ncccc2[O-])C(F)(F)F)c1 ZINC000512485608 561907356 /nfs/dbraw/zinc/90/73/56/561907356.db2.gz TTXYISPANPBOKA-HNNXBMFYSA-N -1 1 367.327 2.245 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000364695726 555377019 /nfs/dbraw/zinc/37/70/19/555377019.db2.gz KFHYBSNZAYWDSS-JHJVBQTASA-N -1 1 368.224 2.210 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000512665651 561911588 /nfs/dbraw/zinc/91/15/88/561911588.db2.gz GRRXLDVFFCALSB-LJQANCHMSA-N -1 1 371.400 2.206 20 0 FEADMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)[C@H]1CCC(=O)NC1 ZINC000617362863 555426309 /nfs/dbraw/zinc/42/63/09/555426309.db2.gz QTXJXRCGCTXDGX-ZETCQYMHSA-N -1 1 369.244 2.365 20 0 FEADMM NC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)ccc21 ZINC000512757998 561914432 /nfs/dbraw/zinc/91/44/32/561914432.db2.gz VMZFRXUBQIMZIK-UHFFFAOYSA-N -1 1 371.340 2.346 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@H](COC(C)C)C3)nc2)[n-]c(=O)c1C ZINC000364910131 555433904 /nfs/dbraw/zinc/43/39/04/555433904.db2.gz QBNXZPIPSAHJKI-INIZCTEOSA-N -1 1 358.442 2.491 20 0 FEADMM O=C(c1cc(Br)c(F)cc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000365289237 555533211 /nfs/dbraw/zinc/53/32/11/555533211.db2.gz NHQRIFTZQGHALV-SSDOTTSWSA-N -1 1 372.173 2.260 20 0 FEADMM COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000365305721 555537799 /nfs/dbraw/zinc/53/77/99/555537799.db2.gz LWZBYNJPKHFBMW-JKSUJKDBSA-N -1 1 374.437 2.338 20 0 FEADMM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000365816334 555673525 /nfs/dbraw/zinc/67/35/25/555673525.db2.gz DNTFMBKKGLLXAP-KRWDZBQOSA-N -1 1 354.406 2.055 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)COc2c(C)cccc2C)c1 ZINC000513798911 561950404 /nfs/dbraw/zinc/95/04/04/561950404.db2.gz GXOWXQJWDFVEJI-ZDUSSCGKSA-N -1 1 367.423 2.429 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C)cc2Br)c[nH]1 ZINC000513788738 561949900 /nfs/dbraw/zinc/94/99/00/561949900.db2.gz WOXNGNWWQVXADX-UHFFFAOYSA-N -1 1 374.216 2.068 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3OC)c1 ZINC000513851391 561952566 /nfs/dbraw/zinc/95/25/66/561952566.db2.gz OOBNWTSNGHQYJT-ZDUSSCGKSA-N -1 1 351.380 2.041 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)CC2CCCC2)o1 ZINC000513945355 561955999 /nfs/dbraw/zinc/95/59/99/561955999.db2.gz XUYJFXQZZOOWLB-ZDUSSCGKSA-N -1 1 372.487 2.027 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000366548194 555873498 /nfs/dbraw/zinc/87/34/98/555873498.db2.gz RTBTYZZHFHKLQD-ZUZCIYMTSA-N -1 1 356.216 2.175 20 0 FEADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1c(F)ccc([O-])c1F ZINC000366799731 555936888 /nfs/dbraw/zinc/93/68/88/555936888.db2.gz BTACJFFJYPBJGO-LLVKDONJSA-N -1 1 368.286 2.484 20 0 FEADMM O=S(=O)([N-]CCc1nnc2n1CCCC2)c1cc2cc(F)ccc2o1 ZINC000514660305 561972011 /nfs/dbraw/zinc/97/20/11/561972011.db2.gz PSAYGMBLRNLMSG-UHFFFAOYSA-N -1 1 364.402 2.021 20 0 FEADMM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000367441825 556049051 /nfs/dbraw/zinc/04/90/51/556049051.db2.gz AKZWUTOMESYBFH-CHWSQXEVSA-N -1 1 366.389 2.041 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1Cl ZINC000514765039 561978221 /nfs/dbraw/zinc/97/82/21/561978221.db2.gz ULEDTYJGGPJERJ-UHFFFAOYSA-N -1 1 374.768 2.020 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)ccc1C(=O)[O-] ZINC000367505763 556068787 /nfs/dbraw/zinc/06/87/87/556068787.db2.gz QUIHWMUNSJUGIC-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)o1 ZINC000531912152 562461145 /nfs/dbraw/zinc/46/11/45/562461145.db2.gz CTFCQBGIEMCRDW-GFCCVEGCSA-N -1 1 351.380 2.177 20 0 FEADMM CCOc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000367718373 556122601 /nfs/dbraw/zinc/12/26/01/556122601.db2.gz YHVDHNOUYBDBRV-KBPBESRZSA-N -1 1 355.818 2.464 20 0 FEADMM COC(=O)[C@@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc21 ZINC000367821481 556147674 /nfs/dbraw/zinc/14/76/74/556147674.db2.gz NWOHPFUKLJMFSK-ZBFHGGJFSA-N -1 1 363.373 2.055 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2c(Cl)cccc2Cl)o1 ZINC000515039496 561993231 /nfs/dbraw/zinc/99/32/31/561993231.db2.gz WSEBTVXGEXWCEQ-UHFFFAOYSA-N -1 1 363.222 2.425 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3csc(C)c3)C2)co1 ZINC000368407468 556299111 /nfs/dbraw/zinc/29/91/11/556299111.db2.gz PDQGAZAAMMYBRE-NSHDSACASA-N -1 1 354.453 2.187 20 0 FEADMM Cc1ncsc1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503880 556329359 /nfs/dbraw/zinc/32/93/59/556329359.db2.gz RVBBXVSUJGEEFD-JTQLQIEISA-N -1 1 352.782 2.277 20 0 FEADMM CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CCC[N-]C(=O)C(F)(F)F)o1 ZINC000368782664 556411521 /nfs/dbraw/zinc/41/15/21/556411521.db2.gz DKAFAIIGOFRBBS-ZDUSSCGKSA-N -1 1 361.364 2.121 20 0 FEADMM CCOc1ccc(C(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)cc1 ZINC000368859516 556431222 /nfs/dbraw/zinc/43/12/22/556431222.db2.gz HWFMOHYUWVGOFJ-UHFFFAOYSA-N -1 1 369.421 2.221 20 0 FEADMM COC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368867649 556433224 /nfs/dbraw/zinc/43/32/24/556433224.db2.gz HUMZIPVEEOBOQR-GUYCJALGSA-N -1 1 356.422 2.301 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368908957 556445045 /nfs/dbraw/zinc/44/50/45/556445045.db2.gz FWRMNRYLOHCWAS-SFHVURJKSA-N -1 1 368.433 2.399 20 0 FEADMM C[C@@H]1CN(C(=O)CN2CCC(c3ccccc3C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000368920821 556448702 /nfs/dbraw/zinc/44/87/02/556448702.db2.gz WMMHCHSMBHZUDP-HUUCEWRRSA-N -1 1 360.454 2.200 20 0 FEADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc2NC1=O ZINC000369011600 556475921 /nfs/dbraw/zinc/47/59/21/556475921.db2.gz VEIDRONFOUSOMK-UHFFFAOYSA-N -1 1 361.379 2.193 20 0 FEADMM CN1CCC2(CCN(C(=O)c3ccc(Br)cc3[O-])CC2)C1=O ZINC000369670565 556664337 /nfs/dbraw/zinc/66/43/37/556664337.db2.gz OCFXQWFSBBMANV-UHFFFAOYSA-N -1 1 367.243 2.239 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000516334216 562040066 /nfs/dbraw/zinc/04/00/66/562040066.db2.gz CHOCKNJNCYNNJZ-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12)c1nn[n-]n1 ZINC000370230533 556817029 /nfs/dbraw/zinc/81/70/29/556817029.db2.gz MGNQBWWWTUHMJD-SVKFGRERSA-N -1 1 361.833 2.155 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3CC(=O)N4CCCC[C@@H]34)nc2)[n-]c(=O)c1C ZINC000370286334 556829918 /nfs/dbraw/zinc/82/99/18/556829918.db2.gz UXIFTYWMQDAORF-GJZGRUSLSA-N -1 1 353.426 2.426 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c(C(F)(F)F)n1 ZINC000516880273 562062475 /nfs/dbraw/zinc/06/24/75/562062475.db2.gz LNYWTYRLMGEZMQ-VIFPVBQESA-N -1 1 355.382 2.063 20 0 FEADMM O=C([O-])CCN(CC(=O)Nc1nc2ccccc2s1)C1CCOCC1 ZINC000516926341 562065344 /nfs/dbraw/zinc/06/53/44/562065344.db2.gz BHAQJDZAQXUSIO-UHFFFAOYSA-N -1 1 363.439 2.191 20 0 FEADMM O=C(CCc1cccc(OC2CCCC2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370867827 556996283 /nfs/dbraw/zinc/99/62/83/556996283.db2.gz LRMJVWHAVABPCY-KRWDZBQOSA-N -1 1 371.441 2.054 20 0 FEADMM CC(=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(C(F)(F)F)cc1 ZINC000370869763 556997163 /nfs/dbraw/zinc/99/71/63/556997163.db2.gz SAJCQPSYCMWYNV-FROQITRMSA-N -1 1 367.331 2.222 20 0 FEADMM O=C(NC[C@H](O)C1CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370925603 557018163 /nfs/dbraw/zinc/01/81/63/557018163.db2.gz WUKHQSDXDIRTRU-MSOLQXFVSA-N -1 1 368.433 2.037 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)c2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000517348980 562086311 /nfs/dbraw/zinc/08/63/11/562086311.db2.gz PFJMDICCVPUNIO-TXEJJXNPSA-N -1 1 371.275 2.384 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)[nH]n2)c(C)c1 ZINC000372408016 557463149 /nfs/dbraw/zinc/46/31/49/557463149.db2.gz FATOUOYQQQGREE-ZDUSSCGKSA-N -1 1 351.414 2.226 20 0 FEADMM Cc1oc(-c2ccccc2)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1C ZINC000372489707 557484338 /nfs/dbraw/zinc/48/43/38/557484338.db2.gz GZARWLPXKUDXPQ-AWEZNQCLSA-N -1 1 353.382 2.290 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC(O)(C2CC2)C1 ZINC000372718840 557546311 /nfs/dbraw/zinc/54/63/11/557546311.db2.gz ROSVCTDBJNPSBR-UHFFFAOYSA-N -1 1 372.446 2.084 20 0 FEADMM Nc1c(-n2cccn2)ncnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372746268 557553101 /nfs/dbraw/zinc/55/31/01/557553101.db2.gz VYZWDDYKOZQXMJ-UHFFFAOYSA-N -1 1 364.409 2.049 20 0 FEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCC(=O)[O-])CC1 ZINC000519717850 562141340 /nfs/dbraw/zinc/14/13/40/562141340.db2.gz WXIFXVFMXQHSIH-ZDUSSCGKSA-N -1 1 351.422 2.010 20 0 FEADMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cnn1CC1CCOCC1 ZINC000373528269 557711557 /nfs/dbraw/zinc/71/15/57/557711557.db2.gz SHUNETFRJRMIBX-UHFFFAOYSA-N -1 1 358.324 2.007 20 0 FEADMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3cc4c(cc3C)OCO4)cc2C1 ZINC000373530655 557711857 /nfs/dbraw/zinc/71/18/57/557711857.db2.gz QBYZWYYWVNVUHW-UHFFFAOYSA-N -1 1 374.418 2.387 20 0 FEADMM NC(=O)c1noc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000373597494 557726433 /nfs/dbraw/zinc/72/64/33/557726433.db2.gz XBOXIAVHGYUPDZ-ZDUSSCGKSA-N -1 1 352.350 2.005 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)Cc2ccc(O)cc2)n[n-]1 ZINC000520420947 562156074 /nfs/dbraw/zinc/15/60/74/562156074.db2.gz QWZJIVQZWQWSMO-CQSZACIVSA-N -1 1 360.414 2.133 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)Cc2ccc(O)cc2)[n-]1 ZINC000520420947 562156075 /nfs/dbraw/zinc/15/60/75/562156075.db2.gz QWZJIVQZWQWSMO-CQSZACIVSA-N -1 1 360.414 2.133 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)Cc2ccc(O)cc2)n1 ZINC000520420947 562156076 /nfs/dbraw/zinc/15/60/76/562156076.db2.gz QWZJIVQZWQWSMO-CQSZACIVSA-N -1 1 360.414 2.133 20 0 FEADMM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000520566085 562159196 /nfs/dbraw/zinc/15/91/96/562159196.db2.gz HXKUNJBHTVMLNL-INIZCTEOSA-N -1 1 366.421 2.461 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3cccc(F)c3)CC2)co1 ZINC000374342647 557868571 /nfs/dbraw/zinc/86/85/71/557868571.db2.gz UXTCNRLZVFMMOE-UHFFFAOYSA-N -1 1 366.414 2.347 20 0 FEADMM C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000521184556 562171237 /nfs/dbraw/zinc/17/12/37/562171237.db2.gz RQRXNYCIJZGULR-LBPRGKRZSA-N -1 1 362.455 2.083 20 0 FEADMM C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000521184556 562171238 /nfs/dbraw/zinc/17/12/38/562171238.db2.gz RQRXNYCIJZGULR-LBPRGKRZSA-N -1 1 362.455 2.083 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCN[C@H](c3ccccc3Cl)C1)c2=O ZINC000374872134 557944133 /nfs/dbraw/zinc/94/41/33/557944133.db2.gz GGQKCKGIIVQCAK-HNNXBMFYSA-N -1 1 371.828 2.114 20 0 FEADMM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1c(Cl)ccnc1Cl ZINC000375105382 557978864 /nfs/dbraw/zinc/97/88/64/557978864.db2.gz LWJNCMQRLQCFHN-UHFFFAOYSA-N -1 1 361.254 2.400 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C3(CCC3)C2)o1 ZINC000376026526 558115827 /nfs/dbraw/zinc/11/58/27/558115827.db2.gz RYDDHHHBJDJUDI-UHFFFAOYSA-N -1 1 360.435 2.265 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1[C@H]1CCCO1 ZINC000376173568 558136670 /nfs/dbraw/zinc/13/66/70/558136670.db2.gz OPTUUFZHFSSOGL-GXTWGEPZSA-N -1 1 356.216 2.175 20 0 FEADMM CN1CCC[C@@]2(CCN(C(=O)c3ccc(Br)cc3[O-])C2)C1=O ZINC000376238612 558146011 /nfs/dbraw/zinc/14/60/11/558146011.db2.gz DEBMMBDUQXFZKJ-INIZCTEOSA-N -1 1 367.243 2.239 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)ccnc1-2 ZINC000376646921 558202708 /nfs/dbraw/zinc/20/27/08/558202708.db2.gz RIVDBJVWGQXIOC-AJIWAEEYSA-N -1 1 373.363 2.225 20 0 FEADMM CCc1ccc([C@@H]2COCCN2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)o1 ZINC000376675762 558206471 /nfs/dbraw/zinc/20/64/71/558206471.db2.gz WWQBTIDGXYVMNE-JTMDUIFQSA-N -1 1 355.398 2.103 20 0 FEADMM COc1cc(NC(=O)[C@H]2COc3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000522201914 562193998 /nfs/dbraw/zinc/19/39/98/562193998.db2.gz XCZKSUKVTSFNPC-ZDUSSCGKSA-N -1 1 362.407 2.181 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCCC(=O)N4)ccc2N1 ZINC000377532165 558358894 /nfs/dbraw/zinc/35/88/94/558358894.db2.gz RNACDLLVYRUULI-UHFFFAOYSA-N -1 1 371.418 2.257 20 0 FEADMM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377586219 558371515 /nfs/dbraw/zinc/37/15/15/558371515.db2.gz SROJEKMBUVJKTK-UONOGXRCSA-N -1 1 357.458 2.264 20 0 FEADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000377637029 558382826 /nfs/dbraw/zinc/38/28/26/558382826.db2.gz NIDUZMRVKIQZAI-GFCCVEGCSA-N -1 1 359.813 2.153 20 0 FEADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522855162 562204923 /nfs/dbraw/zinc/20/49/23/562204923.db2.gz SKTHMPORFFVWAV-GFCCVEGCSA-N -1 1 368.445 2.423 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(I)c([O-])c1)C(C)C ZINC000394549936 558622288 /nfs/dbraw/zinc/62/22/88/558622288.db2.gz GKFGJARXPSDURQ-GFCCVEGCSA-N -1 1 363.195 2.398 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(F)(F)[C@H](CO)C1 ZINC000403536373 558630788 /nfs/dbraw/zinc/63/07/88/558630788.db2.gz BLKYGFZNVXBIAQ-VIFPVBQESA-N -1 1 350.159 2.244 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1C ZINC000408235648 558659369 /nfs/dbraw/zinc/65/93/69/558659369.db2.gz KBWPIJMIEIPMER-QWRGUYRKSA-N -1 1 364.464 2.006 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C(C)(C)C1 ZINC000408301290 558665018 /nfs/dbraw/zinc/66/50/18/558665018.db2.gz RACONTVYSXDVPJ-SNVBAGLBSA-N -1 1 364.464 2.006 20 0 FEADMM O=C(Nc1ccncc1[O-])c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000409452089 558693753 /nfs/dbraw/zinc/69/37/53/558693753.db2.gz LXBRUAFYNLKTCS-UHFFFAOYSA-N -1 1 373.368 2.258 20 0 FEADMM C[C@H](N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000524538497 562230130 /nfs/dbraw/zinc/23/01/30/562230130.db2.gz DMRVFMRWTZTWHM-JTQLQIEISA-N -1 1 366.480 2.252 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c(C)c1 ZINC000410422790 558756956 /nfs/dbraw/zinc/75/69/56/558756956.db2.gz ZGPHOOMLQQDJLA-UHFFFAOYSA-N -1 1 374.418 2.319 20 0 FEADMM CCCCCN(CCO)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000524897777 562237216 /nfs/dbraw/zinc/23/72/16/562237216.db2.gz VFUSLXXIKKNGIR-UHFFFAOYSA-N -1 1 373.475 2.083 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C[C@H](C)O1 ZINC000525414095 562247866 /nfs/dbraw/zinc/24/78/66/562247866.db2.gz RPFMJGKOIRZYDR-WCQYABFASA-N -1 1 371.459 2.098 20 0 FEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000525527409 562249805 /nfs/dbraw/zinc/24/98/05/562249805.db2.gz YCWSNNCJGYHPNV-UHFFFAOYSA-N -1 1 356.407 2.204 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000526060273 562265587 /nfs/dbraw/zinc/26/55/87/562265587.db2.gz UHWALJUHDYSOIW-OAHLLOKOSA-N -1 1 354.472 2.027 20 0 FEADMM COCCOc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000526949833 562270493 /nfs/dbraw/zinc/27/04/93/562270493.db2.gz GVBDJBADGUCBQQ-UHFFFAOYSA-N -1 1 366.801 2.404 20 0 FEADMM C[C@H]1CN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCN1 ZINC000415513413 559245361 /nfs/dbraw/zinc/24/53/61/559245361.db2.gz XKMBJOJNXSLBTB-QMMMGPOBSA-N -1 1 355.826 2.823 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)Cn2c(C)nc3cc(F)c(F)cc32)n1 ZINC000415654982 559258441 /nfs/dbraw/zinc/25/84/41/559258441.db2.gz ZMDZXHNGZWSBSY-UHFFFAOYSA-N -1 1 363.324 2.161 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000416190834 559297418 /nfs/dbraw/zinc/29/74/18/559297418.db2.gz MMFDFRGFEPBDHU-LJQANCHMSA-N -1 1 357.410 2.381 20 0 FEADMM CCCOc1ccc(C(C)(C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1 ZINC000416223731 559299467 /nfs/dbraw/zinc/29/94/67/559299467.db2.gz HTQFKERVSXAXLC-UHFFFAOYSA-N -1 1 361.398 2.350 20 0 FEADMM C[C@@]1(O)C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000416282428 559302351 /nfs/dbraw/zinc/30/23/51/559302351.db2.gz LVTCRBGWIIVYTE-RHNCMZPLSA-N -1 1 360.435 2.131 20 0 FEADMM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)Cc1cc(Cl)ccc1OC ZINC000416580506 559323105 /nfs/dbraw/zinc/32/31/05/559323105.db2.gz INNBMVDWOKEBSS-ZDUSSCGKSA-N -1 1 361.847 2.110 20 0 FEADMM CSc1cc(C)ccc1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000417208001 559353139 /nfs/dbraw/zinc/35/31/39/559353139.db2.gz AVOSVMCNSBNXHQ-UHFFFAOYSA-N -1 1 364.500 2.505 20 0 FEADMM COc1ccc(Br)cc1[C@H](NCc1cnn(C)c1)C(=O)[O-] ZINC000417559836 559366859 /nfs/dbraw/zinc/36/68/59/559366859.db2.gz JCKDPGUUDZOHAX-ZDUSSCGKSA-N -1 1 354.204 2.107 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H]3CC34CC4)c2)n1 ZINC000419561859 559448031 /nfs/dbraw/zinc/44/80/31/559448031.db2.gz TYATXSUUGTWYFV-AWEZNQCLSA-N -1 1 369.425 2.248 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)OC)c1)OC ZINC000421169005 559528330 /nfs/dbraw/zinc/52/83/30/559528330.db2.gz ZSLWNSLSNFBNMX-SECBINFHSA-N -1 1 353.799 2.432 20 0 FEADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H](CC)O1 ZINC000421939013 559557524 /nfs/dbraw/zinc/55/75/24/559557524.db2.gz ADLCBWQNROUOFZ-HUUCEWRRSA-N -1 1 360.458 2.400 20 0 FEADMM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000422059911 559563264 /nfs/dbraw/zinc/56/32/64/559563264.db2.gz CQIUPLVZIPECFB-OAHLLOKOSA-N -1 1 353.422 2.312 20 0 FEADMM CC[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000422125208 559566726 /nfs/dbraw/zinc/56/67/26/559566726.db2.gz WAVVZWHSQGDYTA-RHSMWYFYSA-N -1 1 356.422 2.037 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000424391437 559662766 /nfs/dbraw/zinc/66/27/66/559662766.db2.gz QKXGPLLLNFBAHY-LSDHHAIUSA-N -1 1 351.447 2.463 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000424760356 559675906 /nfs/dbraw/zinc/67/59/06/559675906.db2.gz WTXMYMCHOVIWLV-YMJPAYASSA-N -1 1 372.490 2.364 20 0 FEADMM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000425175275 559689665 /nfs/dbraw/zinc/68/96/65/559689665.db2.gz HZLIGSXFRZYBJH-CQSZACIVSA-N -1 1 355.406 2.464 20 0 FEADMM COC(=O)[C@@H]1CSCCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000425266028 559694217 /nfs/dbraw/zinc/69/42/17/559694217.db2.gz GQMVDWLLBYBKGO-ZBFHGGJFSA-N -1 1 372.494 2.992 20 0 FEADMM O=C(c1cnnc(-c2ccccc2)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425294234 559695170 /nfs/dbraw/zinc/69/51/70/559695170.db2.gz CZPWKDOVMZQGLA-ZDUSSCGKSA-N -1 1 351.366 2.252 20 0 FEADMM Cn1cc(-c2ccc(F)c(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)c2)cn1 ZINC000425302041 559695547 /nfs/dbraw/zinc/69/55/47/559695547.db2.gz NCPMRZSLXOBNGS-LBPRGKRZSA-N -1 1 371.372 2.335 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(COC2CCOCC2)c1)c1nn[n-]n1 ZINC000426875988 559743525 /nfs/dbraw/zinc/74/35/25/559743525.db2.gz QCAILZLWGXUKEV-INIZCTEOSA-N -1 1 359.430 2.167 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@@]1(C)CO ZINC000427084281 559747341 /nfs/dbraw/zinc/74/73/41/559747341.db2.gz JFZRBXQYNLDUQZ-JXFKEZNVSA-N -1 1 370.453 2.153 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccncn1 ZINC000427113033 559748160 /nfs/dbraw/zinc/74/81/60/559748160.db2.gz FHRXRDQPQXWJPC-UHFFFAOYSA-N -1 1 368.418 2.207 20 0 FEADMM CN1CCO[C@@H]([C@H](NC(=O)c2ncccc2[O-])c2ccc(Cl)cc2)C1 ZINC000427553310 559757875 /nfs/dbraw/zinc/75/78/75/559757875.db2.gz NSQHVYWANRGSAW-HZPDHXFCSA-N -1 1 361.829 2.242 20 0 FEADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000427792299 559762780 /nfs/dbraw/zinc/76/27/80/559762780.db2.gz ZJDHBZBXYAFFPL-UHFFFAOYSA-N -1 1 370.814 2.469 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1 ZINC000427824318 559763492 /nfs/dbraw/zinc/76/34/92/559763492.db2.gz FFXFTSOBVOFNJE-UHFFFAOYSA-N -1 1 351.362 2.455 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(N)=O)cc1C ZINC000430081547 559812583 /nfs/dbraw/zinc/81/25/83/559812583.db2.gz QSEYHXZQIZPGAX-UHFFFAOYSA-N -1 1 366.464 2.382 20 0 FEADMM CCc1ccc(-c2nc(CC(=O)NC3(c4nn[n-]n4)CC3)cs2)cc1 ZINC000430336658 559818077 /nfs/dbraw/zinc/81/80/77/559818077.db2.gz YYILCZMWOWEUQU-UHFFFAOYSA-N -1 1 354.439 2.234 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC000431580933 559841866 /nfs/dbraw/zinc/84/18/66/559841866.db2.gz XAIPNACXADXLED-AWEZNQCLSA-N -1 1 363.439 2.059 20 0 FEADMM Cn1cncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000431760721 559845577 /nfs/dbraw/zinc/84/55/77/559845577.db2.gz MAZYZUVGQBUHCM-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM NC(=O)c1csc(=N[C@@H]2CCN(c3ccccc3Br)C2)[n-]1 ZINC000432317080 559856284 /nfs/dbraw/zinc/85/62/84/559856284.db2.gz FCBUGRQSTKKQCI-SECBINFHSA-N -1 1 367.272 2.695 20 0 FEADMM O=C(CC1CCCCC1)NCCN=c1ccc(C(=O)NC2CCCC2)n[n-]1 ZINC000432366891 559857491 /nfs/dbraw/zinc/85/74/91/559857491.db2.gz HMSCJFIKWQEZIW-UHFFFAOYSA-N -1 1 373.501 2.648 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c1C ZINC000433393019 559879652 /nfs/dbraw/zinc/87/96/52/559879652.db2.gz AERIWQASTBVZCI-UHFFFAOYSA-N -1 1 366.443 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCC3(C)CC3)c2)n1 ZINC000434401414 559899767 /nfs/dbraw/zinc/89/97/67/559899767.db2.gz AISPUUQSJDMSEU-UHFFFAOYSA-N -1 1 357.414 2.248 20 0 FEADMM CO[C@]1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCOC1 ZINC000435438985 559923173 /nfs/dbraw/zinc/92/31/73/559923173.db2.gz SGBKMZAZQCRQHR-LBPRGKRZSA-N -1 1 358.218 2.216 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)sc1C ZINC000435209222 559917905 /nfs/dbraw/zinc/91/79/05/559917905.db2.gz 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ZINC000436517870 559944060 /nfs/dbraw/zinc/94/40/60/559944060.db2.gz IIXHGSNRWMGRMV-HNNXBMFYSA-N -1 1 368.389 2.166 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000436556476 559945190 /nfs/dbraw/zinc/94/51/90/559945190.db2.gz LLLNQLBKZNPQAT-KRWDZBQOSA-N -1 1 357.406 2.491 20 0 FEADMM O=C(N[C@H](CCO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000436617701 559946608 /nfs/dbraw/zinc/94/66/08/559946608.db2.gz OPEDINYQGMVMSF-CYBMUJFWSA-N -1 1 358.232 2.062 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC000436670570 559948383 /nfs/dbraw/zinc/94/83/83/559948383.db2.gz FTRAHGGFHKQAFE-UHFFFAOYSA-N -1 1 367.379 2.046 20 0 FEADMM COc1cc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc(Br)c1O ZINC000436716792 559949717 /nfs/dbraw/zinc/94/97/17/559949717.db2.gz RCZZDDIHQLXQLE-IHWYPQMZSA-N -1 1 363.171 2.065 20 0 FEADMM CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436755174 559951051 /nfs/dbraw/zinc/95/10/51/559951051.db2.gz LISAPPAEJGPSCZ-UHFFFAOYSA-N -1 1 354.815 2.347 20 0 FEADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436758549 559951269 /nfs/dbraw/zinc/95/12/69/559951269.db2.gz ZOHULLPNJSRFCC-UHFFFAOYSA-N -1 1 372.402 2.454 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1c([O-])cccc1F)Cc1ccccc1OC ZINC000436899444 559955716 /nfs/dbraw/zinc/95/57/16/559955716.db2.gz KCRWNGUHNRCBIH-ZDUSSCGKSA-N -1 1 361.369 2.302 20 0 FEADMM CCn1cc(CN(CCO)C(=O)c2ccc(Br)cc2[O-])cn1 ZINC000436896268 559955819 /nfs/dbraw/zinc/95/58/19/559955819.db2.gz XZPZRQGPWUDBKN-UHFFFAOYSA-N -1 1 368.231 2.006 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@H]1CCc2c[nH]nc2C1 ZINC000436916177 559956155 /nfs/dbraw/zinc/95/61/55/559956155.db2.gz SBXDAUXQEVOWHB-VIFPVBQESA-N -1 1 358.789 2.297 20 0 FEADMM CCOc1cc(-c2noc(-c3ncn(C)n3)n2)cc(Br)c1[O-] ZINC000436953822 559957268 /nfs/dbraw/zinc/95/72/68/559957268.db2.gz BVHXOMBMGALOIJ-UHFFFAOYSA-N -1 1 366.175 2.399 20 0 FEADMM CCO[C@H]1C[C@@](O)(CNC(=O)c2ccc(Br)cc2[O-])C1(C)C ZINC000436993401 559958960 /nfs/dbraw/zinc/95/89/60/559958960.db2.gz 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ZINC000442242233 560046583 /nfs/dbraw/zinc/04/65/83/560046583.db2.gz MUVODYPQXBNGAR-UHFFFAOYSA-N -1 1 360.395 2.038 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3[nH]c(=O)n(C)c3c1)OCO2 ZINC000442244473 560046671 /nfs/dbraw/zinc/04/66/71/560046671.db2.gz SKAFTNWNYATKMZ-UHFFFAOYSA-N -1 1 361.379 2.117 20 0 FEADMM CC(C)(C)OC(=O)CN[C@@]1(C)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000442838007 560059204 /nfs/dbraw/zinc/05/92/04/560059204.db2.gz OPKVBFXNJVLKQV-SFHVURJKSA-N -1 1 352.406 2.067 20 0 FEADMM COc1ccc2occ(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c2c1 ZINC000442882090 560060676 /nfs/dbraw/zinc/06/06/76/560060676.db2.gz KDUXSNOAHBJAKZ-UHFFFAOYSA-N -1 1 362.363 2.047 20 0 FEADMM COC(=O)C[C@@H]1CSCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442969627 560064350 /nfs/dbraw/zinc/06/43/50/560064350.db2.gz VADNBDJTGWVTOA-SNVBAGLBSA-N -1 1 359.831 2.175 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000443014815 560065957 /nfs/dbraw/zinc/06/59/57/560065957.db2.gz DGQLDKHCTPAYJU-UHFFFAOYSA-N -1 1 365.436 2.280 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1C ZINC000443049949 560067726 /nfs/dbraw/zinc/06/77/26/560067726.db2.gz NXVYGOLHUSPFKJ-UHFFFAOYSA-N -1 1 365.455 2.151 20 0 FEADMM COc1cc(C(=O)NCc2nnc(C3CCC3)n2C)cc(Cl)c1[O-] ZINC000443130233 560071937 /nfs/dbraw/zinc/07/19/37/560071937.db2.gz NEAMPXXAFMACFN-UHFFFAOYSA-N -1 1 350.806 2.380 20 0 FEADMM COc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000443325796 560079961 /nfs/dbraw/zinc/07/99/61/560079961.db2.gz YQGGBZNLRUGCBW-OCCSQVGLSA-N -1 1 373.858 2.236 20 0 FEADMM CCCCCOC1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000443457495 560084507 /nfs/dbraw/zinc/08/45/07/560084507.db2.gz WYECDJNTHQNPHQ-UHFFFAOYSA-N -1 1 370.453 2.100 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)c3c[nH]nc3-c3cnn(C)c3)[nH][n-]2)s1 ZINC000444695014 560118325 /nfs/dbraw/zinc/11/83/25/560118325.db2.gz RFDFBJPPRUCCOJ-UHFFFAOYSA-N -1 1 353.411 2.823 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCC(C)(C)C3)CC2)n1 ZINC000445227756 560131198 /nfs/dbraw/zinc/13/11/98/560131198.db2.gz XMKCUCCPRWMWSI-ZDUSSCGKSA-N -1 1 363.462 2.449 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCCC(C)(C)C2)o1 ZINC000445754801 560134820 /nfs/dbraw/zinc/13/48/20/560134820.db2.gz CDHOYNZNLAHJRD-INIZCTEOSA-N -1 1 359.444 2.066 20 0 FEADMM COc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000446330289 560144499 /nfs/dbraw/zinc/14/44/99/560144499.db2.gz HKOUBNAFQGLCMG-SDDRHHMPSA-N -1 1 371.459 2.096 20 0 FEADMM CN1CCC2(CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)C1=O ZINC000446518132 560146956 /nfs/dbraw/zinc/14/69/56/560146956.db2.gz NSYHOQPWOUBHRM-UHFFFAOYSA-N -1 1 367.243 2.239 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447068752 560155917 /nfs/dbraw/zinc/15/59/17/560155917.db2.gz PQAFAICJXJSZON-UHFFFAOYSA-N -1 1 370.457 2.273 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cnc(C)s3)c2)n1 ZINC000447681654 560166785 /nfs/dbraw/zinc/16/67/85/560166785.db2.gz QHXPLVLTBBNBHB-UHFFFAOYSA-N -1 1 371.422 2.343 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)cc1C(=O)[O-] ZINC000448178785 560179878 /nfs/dbraw/zinc/17/98/78/560179878.db2.gz ILJJCVMSUWWUIR-OAHLLOKOSA-N -1 1 354.472 2.092 20 0 FEADMM CC(C)(C)CC[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000449135732 560217407 /nfs/dbraw/zinc/21/74/07/560217407.db2.gz REKIGHOPEANKHB-CQSZACIVSA-N -1 1 374.441 2.079 20 0 FEADMM CC(C)OC(=O)Cc1nc(CN2CCC(c3n[n-]c(=O)o3)CC2)cs1 ZINC000450912222 560278321 /nfs/dbraw/zinc/27/83/21/560278321.db2.gz GFTJMKWALRFVSL-UHFFFAOYSA-N -1 1 366.443 2.105 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c[nH]nc2C)cnc1C(F)F ZINC000450985257 560281113 /nfs/dbraw/zinc/28/11/13/560281113.db2.gz CTEGZJZNTQYVQQ-UHFFFAOYSA-N -1 1 360.342 2.028 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451198971 560292589 /nfs/dbraw/zinc/29/25/89/560292589.db2.gz COXOGSZQEZBMFU-ZJUUUORDSA-N -1 1 350.893 2.327 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451198966 560292688 /nfs/dbraw/zinc/29/26/88/560292688.db2.gz COXOGSZQEZBMFU-NXEZZACHSA-N -1 1 350.893 2.327 20 0 FEADMM CCc1nc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n[nH]1 ZINC000451348739 560301889 /nfs/dbraw/zinc/30/18/89/560301889.db2.gz AEVKZPGNWNDGLS-ZETCQYMHSA-N -1 1 364.349 2.131 20 0 FEADMM COCC1(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccc3ccccc3c2)CC1 ZINC000451389224 560303908 /nfs/dbraw/zinc/30/39/08/560303908.db2.gz QTDUTBYZBZXNON-MRXNPFEDSA-N -1 1 363.435 2.152 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC000451588758 560316180 /nfs/dbraw/zinc/31/61/80/560316180.db2.gz GJVOIAUBNVRCPO-CQSZACIVSA-N -1 1 367.402 2.081 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451637423 560318425 /nfs/dbraw/zinc/31/84/25/560318425.db2.gz AXJQUSGDABFHGX-QMMMGPOBSA-N -1 1 354.400 2.034 20 0 FEADMM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C ZINC000451838342 560331647 /nfs/dbraw/zinc/33/16/47/560331647.db2.gz BTRQYSJUIJFJDE-JQWIXIFHSA-N -1 1 371.425 2.006 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)c(C(F)(F)F)n1 ZINC000452042450 560347351 /nfs/dbraw/zinc/34/73/51/560347351.db2.gz LTKNBIZGZDCCTQ-UHFFFAOYSA-N -1 1 369.409 2.049 20 0 FEADMM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000452044593 560347389 /nfs/dbraw/zinc/34/73/89/560347389.db2.gz WDSNAVBQEOAWLC-GHMZBOCLSA-N -1 1 373.780 2.441 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)Cc1cccc(F)c1 ZINC000452651652 560370244 /nfs/dbraw/zinc/37/02/44/560370244.db2.gz AGMWZNFASGWMCV-AWEZNQCLSA-N -1 1 361.417 2.261 20 0 FEADMM C[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000452708002 560371814 /nfs/dbraw/zinc/37/18/14/560371814.db2.gz KWXMASNKEOWRLP-KDOFPFPSSA-N -1 1 374.462 2.473 20 0 FEADMM COc1cc(NC(=O)NCCC[C@@H]2CCOC2)ccc1[N-]S(C)(=O)=O ZINC000454765743 560457261 /nfs/dbraw/zinc/45/72/61/560457261.db2.gz GJQSUUGWPHUERZ-GFCCVEGCSA-N -1 1 371.459 2.005 20 0 FEADMM COc1cc(NC(=O)NCC2(OC)CCCC2)ccc1[N-]S(C)(=O)=O ZINC000454763760 560457306 /nfs/dbraw/zinc/45/73/06/560457306.db2.gz DRLOVJAXRBUKIB-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000456671939 560528264 /nfs/dbraw/zinc/52/82/64/560528264.db2.gz ZKBYFUYLEOTYMS-SNVBAGLBSA-N -1 1 362.421 2.674 20 0 FEADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000456794503 560533053 /nfs/dbraw/zinc/53/30/53/560533053.db2.gz QXJBMGKLUBFRNP-UTLUCORTSA-N -1 1 352.337 2.173 20 0 FEADMM COCC1(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCC1 ZINC000456858551 560534716 /nfs/dbraw/zinc/53/47/16/560534716.db2.gz NJSZKLKLINGTLO-UHFFFAOYSA-N -1 1 370.453 2.006 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)o1 ZINC000457150851 560553445 /nfs/dbraw/zinc/55/34/45/560553445.db2.gz DXUAUYGMEZUWGC-GFCCVEGCSA-N -1 1 372.487 2.291 20 0 FEADMM COCC1(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCCC1 ZINC000457446046 560567118 /nfs/dbraw/zinc/56/71/18/560567118.db2.gz XUKSPLOXQRUFOY-UHFFFAOYSA-N -1 1 356.444 2.212 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)o1 ZINC000458277844 560612512 /nfs/dbraw/zinc/61/25/12/560612512.db2.gz NOBRUVCZZDNBIG-LLVKDONJSA-N -1 1 354.403 2.030 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3C[C@@]3(C)C(C)C)CC2)n1 ZINC000459315884 560679217 /nfs/dbraw/zinc/67/92/17/560679217.db2.gz YGUJPZGIMLLTAF-ACJLOTCBSA-N -1 1 363.462 2.305 20 0 FEADMM CC[C@H]1CN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC[N@H+]1C[C@H](C)O ZINC000459342262 560680855 /nfs/dbraw/zinc/68/08/55/560680855.db2.gz WZWKLJLCDVRYRM-YJBOKZPZSA-N -1 1 356.470 2.126 20 0 FEADMM CCOc1cc(C[N@@H+](C)CCNC(=O)N(C)C)cc(Br)c1O ZINC000459467906 560688078 /nfs/dbraw/zinc/68/80/78/560688078.db2.gz QCUZJLSDTIRZRR-UHFFFAOYSA-N -1 1 374.279 2.256 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2coc(C3CCCC3)n2)c1 ZINC000461450962 560771982 /nfs/dbraw/zinc/77/19/82/560771982.db2.gz YXHCACDUGSGBKC-UHFFFAOYSA-N -1 1 365.411 2.198 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000461458182 560772085 /nfs/dbraw/zinc/77/20/85/560772085.db2.gz VMXDKRYGEGOPBD-UHFFFAOYSA-N -1 1 363.370 2.173 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(F)cc2F)c1 ZINC000461461141 560772415 /nfs/dbraw/zinc/77/24/15/560772415.db2.gz RONYPYUNZZARGP-UHFFFAOYSA-N -1 1 370.377 2.150 20 0 FEADMM CCOc1ccc(-c2nc(CC(=O)NC(C)(C)c3nn[n-]n3)cs2)cc1 ZINC000461633605 560778134 /nfs/dbraw/zinc/77/81/34/560778134.db2.gz JTRJIWBRITVIRS-UHFFFAOYSA-N -1 1 372.454 2.316 20 0 FEADMM CC(C)(NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nn[n-]n1 ZINC000461649333 560778738 /nfs/dbraw/zinc/77/87/38/560778738.db2.gz SIMWWRYPKOKELY-UHFFFAOYSA-N -1 1 371.422 2.365 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1 ZINC000462106226 560797671 /nfs/dbraw/zinc/79/76/71/560797671.db2.gz XJXDCTGDBWVQEB-QFIPXVFZSA-N -1 1 353.421 2.011 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C)c1ccc(OC)cc1 ZINC000462282891 560804380 /nfs/dbraw/zinc/80/43/80/560804380.db2.gz XYEBMBOKAMTAOT-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000462371904 560807828 /nfs/dbraw/zinc/80/78/28/560807828.db2.gz WXWIWKNNPKLDRY-UHFFFAOYSA-N -1 1 374.418 2.037 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000466354409 560884908 /nfs/dbraw/zinc/88/49/08/560884908.db2.gz CENIKSWGNHJLGD-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000466477050 560887705 /nfs/dbraw/zinc/88/77/05/560887705.db2.gz FHFBDWQOTUCVDA-UHFFFAOYSA-N -1 1 366.395 2.424 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)[nH]n1 ZINC000467024224 560901656 /nfs/dbraw/zinc/90/16/56/560901656.db2.gz OCZMVLCRIQEJKG-UHFFFAOYSA-N -1 1 364.427 2.481 20 0 FEADMM CCN(C)S(=O)(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000467769117 560916834 /nfs/dbraw/zinc/91/68/34/560916834.db2.gz IKFADVNRXWDERQ-UHFFFAOYSA-N -1 1 369.468 2.096 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)s[n-]1 ZINC000467864543 560918985 /nfs/dbraw/zinc/91/89/85/560918985.db2.gz OHRSAPPYTPKGKH-UHFFFAOYSA-N -1 1 372.429 2.217 20 0 FEADMM C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000468042454 560921481 /nfs/dbraw/zinc/92/14/81/560921481.db2.gz LNEIKWJUUFZWPX-ZBFHGGJFSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000468044472 560921585 /nfs/dbraw/zinc/92/15/85/560921585.db2.gz IKSLDBWTYLABAP-GDBMZVCRSA-N -1 1 374.462 2.330 20 0 FEADMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)c2)cn1 ZINC000469950903 560969693 /nfs/dbraw/zinc/96/96/93/560969693.db2.gz RZCDXJJSZLJTKO-UHFFFAOYSA-N -1 1 371.422 2.063 20 0 FEADMM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470972047 560995540 /nfs/dbraw/zinc/99/55/40/560995540.db2.gz OUNZANPRVXTHHC-UHFFFAOYSA-N -1 1 371.832 2.134 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000470988529 560995936 /nfs/dbraw/zinc/99/59/36/560995936.db2.gz GIMGDOYEOPSFKA-UHFFFAOYSA-N -1 1 352.832 2.457 20 0 FEADMM O=S(=O)([N-]CCNc1ccccn1)c1sccc1Br ZINC000472311853 561023840 /nfs/dbraw/zinc/02/38/40/561023840.db2.gz JCSDOUBXSRAJSG-UHFFFAOYSA-N -1 1 362.274 2.296 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1cccs1 ZINC000471617482 561008953 /nfs/dbraw/zinc/00/89/53/561008953.db2.gz GBNMVLVPVRVBSV-CQSZACIVSA-N -1 1 354.453 2.007 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1ccsc1 ZINC000471628587 561009053 /nfs/dbraw/zinc/00/90/53/561009053.db2.gz MMCFCTKATRDQSO-AWEZNQCLSA-N -1 1 354.453 2.007 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000473200057 561044211 /nfs/dbraw/zinc/04/42/11/561044211.db2.gz VYZIGSJBBPGXGU-HIFRSBDPSA-N -1 1 373.409 2.103 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000473204126 561044387 /nfs/dbraw/zinc/04/43/87/561044387.db2.gz FFQNRANMTGNLSG-ZETCQYMHSA-N -1 1 352.416 2.141 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000473278291 561046288 /nfs/dbraw/zinc/04/62/88/561046288.db2.gz HPVBDRBCTYLVOV-SECBINFHSA-N -1 1 351.359 2.002 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000473531975 561052040 /nfs/dbraw/zinc/05/20/40/561052040.db2.gz LVVOKMYUOGYBCN-HXUWFJFHSA-N -1 1 372.469 2.404 20 0 FEADMM Cc1nc[nH]c1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473955840 561062181 /nfs/dbraw/zinc/06/21/81/561062181.db2.gz JTXYRSKMSVLSBX-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM O=C(Nc1cc(F)cc(Cl)c1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000474435730 561074052 /nfs/dbraw/zinc/07/40/52/561074052.db2.gz CSGRVIOQMNGIDT-UHFFFAOYSA-N -1 1 350.693 2.186 20 0 FEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000476017046 561109416 /nfs/dbraw/zinc/10/94/16/561109416.db2.gz BOYKTNSMEHHVNW-CYBMUJFWSA-N -1 1 363.435 2.394 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1C ZINC000476385976 561118091 /nfs/dbraw/zinc/11/80/91/561118091.db2.gz NYLVRSAMIGFQFB-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000476385074 561118105 /nfs/dbraw/zinc/11/81/05/561118105.db2.gz GUVVQEQPTBYIPP-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000476506095 561121170 /nfs/dbraw/zinc/12/11/70/561121170.db2.gz FWCOYAWQASHKLO-UHFFFAOYSA-N -1 1 362.407 2.354 20 0 FEADMM C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000477028731 561134539 /nfs/dbraw/zinc/13/45/39/561134539.db2.gz YVLYXMOUUXWSFP-ZDUSSCGKSA-N -1 1 361.405 2.340 20 0 FEADMM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477055071 561135403 /nfs/dbraw/zinc/13/54/03/561135403.db2.gz HJNSPADYMPKLKO-LBPRGKRZSA-N -1 1 364.409 2.163 20 0 FEADMM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477057420 561135469 /nfs/dbraw/zinc/13/54/69/561135469.db2.gz NRFBQIMYCUHWQN-UHFFFAOYSA-N -1 1 362.365 2.329 20 0 FEADMM O=C(CCc1cc(Cl)ccc1Br)NC1(c2nn[n-]n2)CC1 ZINC000477058058 561135504 /nfs/dbraw/zinc/13/55/04/561135504.db2.gz KPNINOMDMJQPBE-UHFFFAOYSA-N -1 1 370.638 2.354 20 0 FEADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000477223940 561139760 /nfs/dbraw/zinc/13/97/60/561139760.db2.gz SNDVNUCLEJCLHE-UHFFFAOYSA-N -1 1 363.395 2.358 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000528485927 562331877 /nfs/dbraw/zinc/33/18/77/562331877.db2.gz KHRDWFVFQAAWNS-MNOVXSKESA-N -1 1 374.673 2.465 20 0 FEADMM O=C(c1ccc(Br)c(F)c1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000528883044 562351590 /nfs/dbraw/zinc/35/15/90/562351590.db2.gz NVJTYLMWKLNLBH-ZETCQYMHSA-N -1 1 372.173 2.260 20 0 FEADMM Cc1noc(C23CC(C2)CN3C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1 ZINC000529746357 562383818 /nfs/dbraw/zinc/38/38/18/562383818.db2.gz FWOINFSZGFVMEU-UHFFFAOYSA-N -1 1 357.414 2.241 20 0 FEADMM CC[C@@H](CCc1ccccc1)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000529802183 562385693 /nfs/dbraw/zinc/38/56/93/562385693.db2.gz ZHNCUWAIMVGRRO-HNNXBMFYSA-N -1 1 350.440 2.329 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000529997376 562394023 /nfs/dbraw/zinc/39/40/23/562394023.db2.gz NBACXPDIKIHICE-CQSZACIVSA-N -1 1 368.437 2.345 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)o1 ZINC000530486008 562413198 /nfs/dbraw/zinc/41/31/98/562413198.db2.gz KBPYBGHKQVEJQS-UHFFFAOYSA-N -1 1 369.830 2.254 20 0 FEADMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)nc1)c1cc2ccccc2o1 ZINC000531008752 562431768 /nfs/dbraw/zinc/43/17/68/562431768.db2.gz SWOHHXOFTGRCBR-UHFFFAOYSA-N -1 1 373.434 2.143 20 0 FEADMM CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532267501 562472055 /nfs/dbraw/zinc/47/20/55/562472055.db2.gz RPJYQTCRCLBESE-UHFFFAOYSA-N -1 1 352.387 2.011 20 0 FEADMM N=c1nc(N2CCN(Cc3ccccc3OCC(F)(F)F)CC2)s[n-]1 ZINC000532735909 562487195 /nfs/dbraw/zinc/48/71/95/562487195.db2.gz JJNZROCNFJVAFW-UHFFFAOYSA-N -1 1 373.404 2.384 20 0 FEADMM COc1cncc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000533219203 562501754 /nfs/dbraw/zinc/50/17/54/562501754.db2.gz WZERVYHAHBFVKA-INIZCTEOSA-N -1 1 363.439 2.276 20 0 FEADMM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2nccn2C(F)F)[n-]1 ZINC000533788557 562518129 /nfs/dbraw/zinc/51/81/29/562518129.db2.gz MVGBBJZLDSTJOY-QHCPKHFHSA-N -1 1 356.276 2.242 20 0 FEADMM CCOc1ccc(F)c([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)c1F ZINC000534037345 562524077 /nfs/dbraw/zinc/52/40/77/562524077.db2.gz DSKFXDWJFPAOSQ-UHFFFAOYSA-N -1 1 374.365 2.459 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc4ncccc34)cc2N1 ZINC000534942136 562545736 /nfs/dbraw/zinc/54/57/36/562545736.db2.gz AYBNTLGIYIHHPG-UHFFFAOYSA-N -1 1 355.375 2.367 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)N(C)C4=O)ccc2O1 ZINC000534941843 562545754 /nfs/dbraw/zinc/54/57/54/562545754.db2.gz BDQKZGXHNZNUAB-JTQLQIEISA-N -1 1 372.402 2.037 20 0 FEADMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1-c1ccccn1 ZINC000535093792 562551035 /nfs/dbraw/zinc/55/10/35/562551035.db2.gz CRIONWCLYXYMGZ-UHFFFAOYSA-N -1 1 364.409 2.470 20 0 FEADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cnn(-c2cnc3ccccc3n2)c1 ZINC000535342971 562556317 /nfs/dbraw/zinc/55/63/17/562556317.db2.gz CCMSYBBIDFSYGQ-CQSZACIVSA-N -1 1 373.438 2.126 20 0 FEADMM Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000535500049 562559934 /nfs/dbraw/zinc/55/99/34/562559934.db2.gz RBVBSGSVLGDLIK-UHFFFAOYSA-N -1 1 374.740 2.379 20 0 FEADMM Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000535500049 562559935 /nfs/dbraw/zinc/55/99/35/562559935.db2.gz RBVBSGSVLGDLIK-UHFFFAOYSA-N -1 1 374.740 2.379 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1(C)CCOCC1 ZINC000535756927 562566920 /nfs/dbraw/zinc/56/69/20/562566920.db2.gz DMNDOUAKOVLYQA-UHFFFAOYSA-N -1 1 356.426 2.028 20 0 FEADMM C[C@H](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])n1cccc1 ZINC000536435095 562575384 /nfs/dbraw/zinc/57/53/84/562575384.db2.gz VDZUWWJDOORDCS-GFCCVEGCSA-N -1 1 363.439 2.224 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccon1 ZINC000540914994 562596862 /nfs/dbraw/zinc/59/68/62/562596862.db2.gz XETRCDHVVXLLJC-GFCCVEGCSA-N -1 1 353.382 2.351 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1C ZINC000541807892 562620261 /nfs/dbraw/zinc/62/02/61/562620261.db2.gz XLJNCGAHLOAACE-UHFFFAOYSA-N -1 1 366.395 2.307 20 0 FEADMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(F)(F)F ZINC000541826022 562620823 /nfs/dbraw/zinc/62/08/23/562620823.db2.gz PZUBDZMQXHWDNI-MWLCHTKSSA-N -1 1 355.382 2.100 20 0 FEADMM CS[C@H](CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)(C)C ZINC000542207507 562627122 /nfs/dbraw/zinc/62/71/22/562627122.db2.gz JEYJXSLXQMEGHC-CYBMUJFWSA-N -1 1 350.488 2.488 20 0 FEADMM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000556102773 674388087 /nfs/dbraw/zinc/38/80/87/674388087.db2.gz ULSOTTBJSKUJAY-CQSZACIVSA-N -1 1 360.439 2.422 20 0 FEADMM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3ccc(F)c(F)c3F)ccc21 ZINC000556349441 674398167 /nfs/dbraw/zinc/39/81/67/674398167.db2.gz JTZOVEQDDCLTAN-UHFFFAOYSA-N -1 1 374.315 2.330 20 0 FEADMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C)[nH]c1=O ZINC000556350946 674398327 /nfs/dbraw/zinc/39/83/27/674398327.db2.gz QAIGMJWTLNHEPJ-UHFFFAOYSA-N -1 1 356.787 2.336 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000602328624 567968853 /nfs/dbraw/zinc/96/88/53/567968853.db2.gz ITGUUDHKYPHFRJ-BETUJISGSA-N -1 1 372.425 2.452 20 0 FEADMM O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CCOCC1 ZINC000564570129 567974980 /nfs/dbraw/zinc/97/49/80/567974980.db2.gz HPRYWKJCPAZAPE-UHFFFAOYSA-N -1 1 372.368 2.182 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cccc(C(F)(F)F)c2F)n[n-]1 ZINC000603019387 568052204 /nfs/dbraw/zinc/05/22/04/568052204.db2.gz VAOQCJYCGRHJHA-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(C(F)(F)F)c2F)n1 ZINC000603019387 568052205 /nfs/dbraw/zinc/05/22/05/568052205.db2.gz VAOQCJYCGRHJHA-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cc(F)c(Cl)cc2F)n[n-]1 ZINC000603152724 568065101 /nfs/dbraw/zinc/06/51/01/568065101.db2.gz FATBNBYIASYNNU-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cc(F)c(Cl)cc2F)[n-]1 ZINC000603152724 568065102 /nfs/dbraw/zinc/06/51/02/568065102.db2.gz FATBNBYIASYNNU-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cc(F)c(Cl)cc2F)n1 ZINC000603152724 568065103 /nfs/dbraw/zinc/06/51/03/568065103.db2.gz FATBNBYIASYNNU-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2(Cc3ccccc3F)CC2)n[n-]1 ZINC000603156716 568068767 /nfs/dbraw/zinc/06/87/67/568068767.db2.gz SZCGLCPTROMVKR-LLVKDONJSA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2(Cc3ccccc3F)CC2)[n-]1 ZINC000603156716 568068768 /nfs/dbraw/zinc/06/87/68/568068768.db2.gz SZCGLCPTROMVKR-LLVKDONJSA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2(Cc3ccccc3F)CC2)n1 ZINC000603156716 568068769 /nfs/dbraw/zinc/06/87/69/568068769.db2.gz SZCGLCPTROMVKR-LLVKDONJSA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCc2cc(F)ccc2F)n[n-]1 ZINC000603166021 568070206 /nfs/dbraw/zinc/07/02/06/568070206.db2.gz OAHHVXSGQPZSFD-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCc2cc(F)ccc2F)[n-]1 ZINC000603166021 568070207 /nfs/dbraw/zinc/07/02/07/568070207.db2.gz OAHHVXSGQPZSFD-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCc2cc(F)ccc2F)n1 ZINC000603166021 568070208 /nfs/dbraw/zinc/07/02/08/568070208.db2.gz OAHHVXSGQPZSFD-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000603546262 568117908 /nfs/dbraw/zinc/11/79/08/568117908.db2.gz JTFVXSXYNDSOFB-ZUZCIYMTSA-N -1 1 359.336 2.151 20 0 FEADMM CCn1c(-c2cc[nH]n2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000669135565 568136892 /nfs/dbraw/zinc/13/68/92/568136892.db2.gz BQKUQYWPHONXEW-UHFFFAOYSA-N -1 1 366.425 2.493 20 0 FEADMM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000637050306 568325688 /nfs/dbraw/zinc/32/56/88/568325688.db2.gz IUGUXQWFNFMJFH-INIZCTEOSA-N -1 1 365.462 2.483 20 0 FEADMM Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000606116216 568665618 /nfs/dbraw/zinc/66/56/18/568665618.db2.gz AROXZQGTFADZTF-UHFFFAOYSA-N -1 1 374.470 2.188 20 0 FEADMM CCc1cccc2c1N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000736695866 598843391 /nfs/dbraw/zinc/84/33/91/598843391.db2.gz RBHCWBIJIJBQJQ-UHFFFAOYSA-N -1 1 373.413 2.320 20 0 FEADMM CCc1cccc2c1N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000736695866 598843393 /nfs/dbraw/zinc/84/33/93/598843393.db2.gz RBHCWBIJIJBQJQ-UHFFFAOYSA-N -1 1 373.413 2.320 20 0 FEADMM CN(C(C1CC1)C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736741440 598874151 /nfs/dbraw/zinc/87/41/51/598874151.db2.gz PPGGQTXWRZJOAM-UHFFFAOYSA-N -1 1 367.862 2.329 20 0 FEADMM CN(C(C1CC1)C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736741440 598874152 /nfs/dbraw/zinc/87/41/52/598874152.db2.gz PPGGQTXWRZJOAM-UHFFFAOYSA-N -1 1 367.862 2.329 20 0 FEADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000735498707 598928730 /nfs/dbraw/zinc/92/87/30/598928730.db2.gz IGMBXXRKNSORCU-UHFFFAOYSA-N -1 1 357.395 2.179 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1COc2ccccc2O1 ZINC000738442506 598935737 /nfs/dbraw/zinc/93/57/37/598935737.db2.gz PAKZCOUVWGMJHR-LLVKDONJSA-N -1 1 361.365 2.062 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1COc2ccccc2O1 ZINC000738442506 598935739 /nfs/dbraw/zinc/93/57/39/598935739.db2.gz PAKZCOUVWGMJHR-LLVKDONJSA-N -1 1 361.365 2.062 20 0 FEADMM CCNC(=O)c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736578658 598960351 /nfs/dbraw/zinc/96/03/51/598960351.db2.gz XYWYNUSLXWGTOQ-UHFFFAOYSA-N -1 1 374.408 2.172 20 0 FEADMM CCNC(=O)c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736578658 598960353 /nfs/dbraw/zinc/96/03/53/598960353.db2.gz XYWYNUSLXWGTOQ-UHFFFAOYSA-N -1 1 374.408 2.172 20 0 FEADMM O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192149 598987228 /nfs/dbraw/zinc/98/72/28/598987228.db2.gz XHYKBDUFEOVEKG-UHFFFAOYSA-N -1 1 364.287 2.455 20 0 FEADMM O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192149 598987231 /nfs/dbraw/zinc/98/72/31/598987231.db2.gz XHYKBDUFEOVEKG-UHFFFAOYSA-N -1 1 364.287 2.455 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000738258682 598987388 /nfs/dbraw/zinc/98/73/88/598987388.db2.gz LBRRBNOGVAPOEU-UHFFFAOYSA-N -1 1 374.408 2.158 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000738258682 598987390 /nfs/dbraw/zinc/98/73/90/598987390.db2.gz LBRRBNOGVAPOEU-UHFFFAOYSA-N -1 1 374.408 2.158 20 0 FEADMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738185867 598988653 /nfs/dbraw/zinc/98/86/53/598988653.db2.gz KCAIQYCDAIUWKR-OAHLLOKOSA-N -1 1 366.381 2.072 20 0 FEADMM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738185867 598988655 /nfs/dbraw/zinc/98/86/55/598988655.db2.gz KCAIQYCDAIUWKR-OAHLLOKOSA-N -1 1 366.381 2.072 20 0 FEADMM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738022210 598996825 /nfs/dbraw/zinc/99/68/25/598996825.db2.gz CZWMPLQPZQZETR-CYBMUJFWSA-N -1 1 354.345 2.045 20 0 FEADMM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738022210 598996827 /nfs/dbraw/zinc/99/68/27/598996827.db2.gz CZWMPLQPZQZETR-CYBMUJFWSA-N -1 1 354.345 2.045 20 0 FEADMM Cc1ccnc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000737437989 599009063 /nfs/dbraw/zinc/00/90/63/599009063.db2.gz WXPSCIOFBNDCQG-UHFFFAOYSA-N -1 1 358.365 2.279 20 0 FEADMM Cc1ccnc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000737437989 599009065 /nfs/dbraw/zinc/00/90/65/599009065.db2.gz WXPSCIOFBNDCQG-UHFFFAOYSA-N -1 1 358.365 2.279 20 0 FEADMM CC[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736401409 599013963 /nfs/dbraw/zinc/01/39/63/599013963.db2.gz WIXYCXDRLHTNCC-VHSXEESVSA-N -1 1 362.459 2.388 20 0 FEADMM Nc1c(Cl)cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000737774056 599023978 /nfs/dbraw/zinc/02/39/78/599023978.db2.gz PBKOUQFDFJQWSA-UHFFFAOYSA-N -1 1 350.169 2.403 20 0 FEADMM Nc1c(Cl)cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737774056 599023979 /nfs/dbraw/zinc/02/39/79/599023979.db2.gz PBKOUQFDFJQWSA-UHFFFAOYSA-N -1 1 350.169 2.403 20 0 FEADMM COc1c(C)cc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737022873 599028624 /nfs/dbraw/zinc/02/86/24/599028624.db2.gz DOAQHHJIBLVMNG-UHFFFAOYSA-N -1 1 352.398 2.159 20 0 FEADMM COc1c(C)cc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737022873 599028626 /nfs/dbraw/zinc/02/86/26/599028626.db2.gz DOAQHHJIBLVMNG-UHFFFAOYSA-N -1 1 352.398 2.159 20 0 FEADMM CCc1cccc2c(CCNC(=O)c3ccc(-c4nnn[n-]4)nc3)c[nH]c21 ZINC000736695903 599030973 /nfs/dbraw/zinc/03/09/73/599030973.db2.gz STCKKRIOOWBJEH-UHFFFAOYSA-N -1 1 361.409 2.278 20 0 FEADMM CCc1cccc2c(CCNC(=O)c3ccc(-c4nn[n-]n4)nc3)c[nH]c21 ZINC000736695903 599030975 /nfs/dbraw/zinc/03/09/75/599030975.db2.gz STCKKRIOOWBJEH-UHFFFAOYSA-N -1 1 361.409 2.278 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3cccs3)[nH]n2)C[C@H]1C(F)(F)F ZINC000556710067 674414504 /nfs/dbraw/zinc/41/45/04/674414504.db2.gz NWZZLKAAZMLQDP-HTQZYQBOSA-N -1 1 359.329 2.473 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc(-c2ccccc2)o1 ZINC000736157795 599138699 /nfs/dbraw/zinc/13/86/99/599138699.db2.gz MSVHBSKICJKUGK-JTQLQIEISA-N -1 1 363.337 2.230 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc(-c2ccccc2)o1 ZINC000736157795 599138700 /nfs/dbraw/zinc/13/87/00/599138700.db2.gz MSVHBSKICJKUGK-JTQLQIEISA-N -1 1 363.337 2.230 20 0 FEADMM CC[C@@H](C)C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820869602 599159642 /nfs/dbraw/zinc/15/96/42/599159642.db2.gz IIOIMJBMLAASIG-MNOVXSKESA-N -1 1 360.462 2.458 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC2(CCCC2)C1 ZINC000822004345 599207209 /nfs/dbraw/zinc/20/72/09/599207209.db2.gz FVCRYZHNSWAJQV-UHFFFAOYSA-N -1 1 370.457 2.309 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000630224739 676888204 /nfs/dbraw/zinc/88/82/04/676888204.db2.gz UIEHPVHJNDPPNG-UHFFFAOYSA-N -1 1 373.222 2.209 20 0 FEADMM CN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000621589614 597010971 /nfs/dbraw/zinc/01/09/71/597010971.db2.gz HUAGAAUARKYTQX-UHFFFAOYSA-N -1 1 352.188 2.386 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000262926226 597211831 /nfs/dbraw/zinc/21/18/31/597211831.db2.gz GAWLBJQLCOREAT-UHFFFAOYSA-N -1 1 353.422 2.242 20 0 FEADMM O=C([O-])CCNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819484249 597224489 /nfs/dbraw/zinc/22/44/89/597224489.db2.gz BFKUZBFUVVWZDP-ZDUSSCGKSA-N -1 1 359.348 2.054 20 0 FEADMM COc1cccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N(C)C)c1 ZINC000818620636 597284635 /nfs/dbraw/zinc/28/46/35/597284635.db2.gz FZLHTIIQIHPYEW-GOSISDBHSA-N -1 1 371.437 2.496 20 0 FEADMM O=C([O-])c1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000564452703 597664136 /nfs/dbraw/zinc/66/41/36/597664136.db2.gz IMXKIDRGTQTHFS-UHFFFAOYSA-N -1 1 360.454 2.349 20 0 FEADMM C[C@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C1CCOCC1 ZINC000807708655 674424956 /nfs/dbraw/zinc/42/49/56/674424956.db2.gz LMWFFFXWZVVKSS-MNXVOIDGSA-N -1 1 364.408 2.353 20 0 FEADMM NC(=O)[C@H](NC1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1F ZINC000821345268 598135812 /nfs/dbraw/zinc/13/58/12/598135812.db2.gz TXHBNUWGRXNMME-QDPIBXHXSA-N -1 1 373.222 2.348 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826334790 608393534 /nfs/dbraw/zinc/39/35/34/608393534.db2.gz JMEKRDMPYDEMNM-UHFFFAOYSA-N -1 1 361.413 2.130 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826334790 608393535 /nfs/dbraw/zinc/39/35/35/608393535.db2.gz JMEKRDMPYDEMNM-UHFFFAOYSA-N -1 1 361.413 2.130 20 0 FEADMM CC(C)[C@@H](NCC(=O)N(C)Cc1cc(Br)cs1)C(=O)[O-] ZINC000820041757 598188489 /nfs/dbraw/zinc/18/84/89/598188489.db2.gz QILAZDWAZJPQKL-GFCCVEGCSA-N -1 1 363.277 2.168 20 0 FEADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735797937 598260147 /nfs/dbraw/zinc/26/01/47/598260147.db2.gz AMIZHMBSISLSIG-INIZCTEOSA-N -1 1 372.454 2.327 20 0 FEADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735797937 598260148 /nfs/dbraw/zinc/26/01/48/598260148.db2.gz AMIZHMBSISLSIG-INIZCTEOSA-N -1 1 372.454 2.327 20 0 FEADMM Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737425153 598267952 /nfs/dbraw/zinc/26/79/52/598267952.db2.gz ZCQWAEKDGQYJGG-MRXNPFEDSA-N -1 1 370.438 2.096 20 0 FEADMM Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737425153 598267953 /nfs/dbraw/zinc/26/79/53/598267953.db2.gz ZCQWAEKDGQYJGG-MRXNPFEDSA-N -1 1 370.438 2.096 20 0 FEADMM O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000807790904 674429689 /nfs/dbraw/zinc/42/96/89/674429689.db2.gz XLLPJFVOFVENFF-AWEZNQCLSA-N -1 1 353.296 2.444 20 0 FEADMM CC[C@@H](Sc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2)C(N)=O ZINC000736389015 598378168 /nfs/dbraw/zinc/37/81/68/598378168.db2.gz AQBLMBDPBSZNNT-GFCCVEGCSA-N -1 1 370.438 2.366 20 0 FEADMM COc1ccc(OC)c([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC000737109437 598385174 /nfs/dbraw/zinc/38/51/74/598385174.db2.gz QXFFVRJRNCOVME-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc(OC)c([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC000737109437 598385175 /nfs/dbraw/zinc/38/51/75/598385175.db2.gz QXFFVRJRNCOVME-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM CC(C)[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc2c(c1)OCCO2 ZINC000735734555 598385270 /nfs/dbraw/zinc/38/52/70/598385270.db2.gz NOUVQSUCGVZRLX-MRXNPFEDSA-N -1 1 353.386 2.237 20 0 FEADMM CC(C)[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc2c(c1)OCCO2 ZINC000735734555 598385272 /nfs/dbraw/zinc/38/52/72/598385272.db2.gz NOUVQSUCGVZRLX-MRXNPFEDSA-N -1 1 353.386 2.237 20 0 FEADMM CC(C)N(C1CCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735858809 598415701 /nfs/dbraw/zinc/41/57/01/598415701.db2.gz GHKIFKSYKXXFAM-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2cc(C)ccc2F)c(-c2nn[n-]n2)c1C ZINC000737344859 598426557 /nfs/dbraw/zinc/42/65/57/598426557.db2.gz LGJQWESDEXZCHN-UHFFFAOYSA-N -1 1 373.344 2.320 20 0 FEADMM Cc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)s1 ZINC000737308330 598503924 /nfs/dbraw/zinc/50/39/24/598503924.db2.gz LAIHMKDLCIWKQZ-UHFFFAOYSA-N -1 1 351.391 2.434 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000738372997 598677894 /nfs/dbraw/zinc/67/78/94/598677894.db2.gz ZDWITBCCKDNQER-UHFFFAOYSA-N -1 1 354.757 2.385 20 0 FEADMM C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736251455 598689394 /nfs/dbraw/zinc/68/93/94/598689394.db2.gz OJJFFLHDBYPPGI-WDEREUQCSA-N -1 1 353.423 2.205 20 0 FEADMM COc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737068052 598721100 /nfs/dbraw/zinc/72/11/00/598721100.db2.gz ZCTKKYAPBBNJLO-UHFFFAOYSA-N -1 1 361.361 2.073 20 0 FEADMM O=C1OCc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc21 ZINC000808123977 674442492 /nfs/dbraw/zinc/44/24/92/674442492.db2.gz JHHKJTDKNAYRBI-UHFFFAOYSA-N -1 1 357.343 2.264 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)ccc1C ZINC000808124440 674442716 /nfs/dbraw/zinc/44/27/16/674442716.db2.gz SSFANZDVCGBKMC-UHFFFAOYSA-N -1 1 360.391 2.425 20 0 FEADMM CC(C)c1nc2n(n1)C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000735942013 598787504 /nfs/dbraw/zinc/78/75/04/598787504.db2.gz AITHSVISFWQOJC-ZETCQYMHSA-N -1 1 365.854 2.118 20 0 FEADMM CC(C)c1nc2n(n1)C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000735942013 598787505 /nfs/dbraw/zinc/78/75/05/598787505.db2.gz AITHSVISFWQOJC-ZETCQYMHSA-N -1 1 365.854 2.118 20 0 FEADMM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735734621 598796477 /nfs/dbraw/zinc/79/64/77/598796477.db2.gz IEPQDDXGROAIBD-MRXNPFEDSA-N -1 1 372.454 2.280 20 0 FEADMM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735734621 598796478 /nfs/dbraw/zinc/79/64/78/598796478.db2.gz IEPQDDXGROAIBD-MRXNPFEDSA-N -1 1 372.454 2.280 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000737202277 598809683 /nfs/dbraw/zinc/80/96/83/598809683.db2.gz ZOPOUWMNFJJWKC-JRPNMDOOSA-N -1 1 372.473 2.458 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N(C)CC(F)F)c1-c1nn[n-]n1 ZINC000737189120 598812728 /nfs/dbraw/zinc/81/27/28/598812728.db2.gz IWUWSCWTUABTGB-UHFFFAOYSA-N -1 1 354.386 2.198 20 0 FEADMM Cc1nc(C)n([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000737474892 599296806 /nfs/dbraw/zinc/29/68/06/599296806.db2.gz XOFZEUNGJQSZNT-SECBINFHSA-N -1 1 365.854 2.026 20 0 FEADMM Cc1nc(C)n([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000737474892 599296807 /nfs/dbraw/zinc/29/68/07/599296807.db2.gz XOFZEUNGJQSZNT-SECBINFHSA-N -1 1 365.854 2.026 20 0 FEADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738386655 599306781 /nfs/dbraw/zinc/30/67/81/599306781.db2.gz NGHFUJDKHNPLHN-SNVBAGLBSA-N -1 1 352.185 2.109 20 0 FEADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738386655 599306783 /nfs/dbraw/zinc/30/67/83/599306783.db2.gz NGHFUJDKHNPLHN-SNVBAGLBSA-N -1 1 352.185 2.109 20 0 FEADMM CCSCC[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821456106 599327230 /nfs/dbraw/zinc/32/72/30/599327230.db2.gz NGYVQBFSHVCKQA-JTQLQIEISA-N -1 1 373.479 2.158 20 0 FEADMM CC[C@@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820981582 599344879 /nfs/dbraw/zinc/34/48/79/599344879.db2.gz UORGOGKPBTXUJF-LLVKDONJSA-N -1 1 353.423 2.349 20 0 FEADMM CC[C@@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820981582 599344881 /nfs/dbraw/zinc/34/48/81/599344881.db2.gz UORGOGKPBTXUJF-LLVKDONJSA-N -1 1 353.423 2.349 20 0 FEADMM C[C@H]1CCC[C@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820698160 599349127 /nfs/dbraw/zinc/34/91/27/599349127.db2.gz QKJOJZATNNQOQT-QWRGUYRKSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]1CCC[C@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820698160 599349124 /nfs/dbraw/zinc/34/91/24/599349124.db2.gz QKJOJZATNNQOQT-QWRGUYRKSA-N -1 1 353.423 2.205 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)c(C)c1 ZINC000822241431 599379502 /nfs/dbraw/zinc/37/95/02/599379502.db2.gz VVTZFIXFEDSXOF-XYOKQWHBSA-N -1 1 366.406 2.339 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)c(C)c1 ZINC000822241431 599379505 /nfs/dbraw/zinc/37/95/05/599379505.db2.gz VVTZFIXFEDSXOF-XYOKQWHBSA-N -1 1 366.406 2.339 20 0 FEADMM CSCCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000737183128 599391961 /nfs/dbraw/zinc/39/19/61/599391961.db2.gz UWXSNRUOOXISOZ-UHFFFAOYSA-N -1 1 364.500 2.344 20 0 FEADMM O=C(c1ccccc1F)N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738277798 599411140 /nfs/dbraw/zinc/41/11/40/599411140.db2.gz FYGGSQZVSHWCLT-UHFFFAOYSA-N -1 1 367.388 2.118 20 0 FEADMM O=C(c1ccccc1F)N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738277798 599411141 /nfs/dbraw/zinc/41/11/41/599411141.db2.gz FYGGSQZVSHWCLT-UHFFFAOYSA-N -1 1 367.388 2.118 20 0 FEADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000738385749 599420831 /nfs/dbraw/zinc/42/08/31/599420831.db2.gz YAWPTGRRORBMRO-GFCCVEGCSA-N -1 1 366.303 2.306 20 0 FEADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000738385749 599420832 /nfs/dbraw/zinc/42/08/32/599420832.db2.gz YAWPTGRRORBMRO-GFCCVEGCSA-N -1 1 366.303 2.306 20 0 FEADMM CCCC(=O)NC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821007581 599478140 /nfs/dbraw/zinc/47/81/40/599478140.db2.gz BEOKHPPVSPWZNV-UHFFFAOYSA-N -1 1 365.441 2.300 20 0 FEADMM CCCC(=O)NC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821007581 599478142 /nfs/dbraw/zinc/47/81/42/599478142.db2.gz BEOKHPPVSPWZNV-UHFFFAOYSA-N -1 1 365.441 2.300 20 0 FEADMM CC[C@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820870577 599488785 /nfs/dbraw/zinc/48/87/85/599488785.db2.gz VKYQKVQQZWREKT-IUCAKERBSA-N -1 1 350.448 2.244 20 0 FEADMM O=C1CCCN1[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000823530764 599551122 /nfs/dbraw/zinc/55/11/22/599551122.db2.gz QZQYNTJAZFZLND-ZDUSSCGKSA-N -1 1 363.425 2.006 20 0 FEADMM O=C1CCCN1[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000823530764 599551124 /nfs/dbraw/zinc/55/11/24/599551124.db2.gz QZQYNTJAZFZLND-ZDUSSCGKSA-N -1 1 363.425 2.006 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](CC(C)C)C1 ZINC000822004588 599652858 /nfs/dbraw/zinc/65/28/58/599652858.db2.gz JCZQLMWTNUMENX-CQSZACIVSA-N -1 1 372.473 2.411 20 0 FEADMM CC(C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820067857 599682811 /nfs/dbraw/zinc/68/28/11/599682811.db2.gz MTTNIAQOLQXGPV-LLVKDONJSA-N -1 1 353.423 2.063 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000738498847 599735345 /nfs/dbraw/zinc/73/53/45/599735345.db2.gz CCQUJFUWJRWFQR-UHFFFAOYSA-N -1 1 351.366 2.169 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000738498847 599735346 /nfs/dbraw/zinc/73/53/46/599735346.db2.gz CCQUJFUWJRWFQR-UHFFFAOYSA-N -1 1 351.366 2.169 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)o1 ZINC000390548942 599736389 /nfs/dbraw/zinc/73/63/89/599736389.db2.gz PBCPJBYVJGFXJY-UHFFFAOYSA-N -1 1 359.743 2.203 20 0 FEADMM COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000320248465 599801953 /nfs/dbraw/zinc/80/19/53/599801953.db2.gz ZUDJVQQEDKMXDZ-UHFFFAOYSA-N -1 1 359.743 2.219 20 0 FEADMM O=C([O-])CCCNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263375752 599830427 /nfs/dbraw/zinc/83/04/27/599830427.db2.gz BVJMSOSGEWZJPY-UHFFFAOYSA-N -1 1 357.414 2.226 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000736366136 599899268 /nfs/dbraw/zinc/89/92/68/599899268.db2.gz BATTZFLFNGSPNM-HNNXBMFYSA-N -1 1 369.506 2.209 20 0 FEADMM CN1CCN(c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cn2)CC1 ZINC000737528611 599929254 /nfs/dbraw/zinc/92/92/54/599929254.db2.gz AAJGCVAIQRZAAN-UHFFFAOYSA-N -1 1 355.398 2.176 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000737358243 600013223 /nfs/dbraw/zinc/01/32/23/600013223.db2.gz JNSGHLSXSLWHTG-VDSRIPIWSA-N -1 1 351.422 2.371 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737358792 600019320 /nfs/dbraw/zinc/01/93/20/600019320.db2.gz QEQYDODNSFUAAM-BCLQGDPASA-N -1 1 351.422 2.371 20 0 FEADMM Cc1cccc(C[C@@H](CNS(=O)(=O)c2c(F)cccc2F)C(=O)[O-])c1 ZINC000548547001 600097073 /nfs/dbraw/zinc/09/70/73/600097073.db2.gz AJWAURVBWWEJJO-ZDUSSCGKSA-N -1 1 369.389 2.495 20 0 FEADMM C[C@@H]1CN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CCS1 ZINC000736812268 600103116 /nfs/dbraw/zinc/10/31/16/600103116.db2.gz VFVVYIOAUYQCQH-MLGOLLRUSA-N -1 1 361.467 2.159 20 0 FEADMM Cc1ccc(-c2cc(C(=O)OCc3noc(CCCC(=O)[O-])n3)[nH]n2)o1 ZINC000738487556 600189685 /nfs/dbraw/zinc/18/96/85/600189685.db2.gz ABVSOPOEFWWNBB-UHFFFAOYSA-N -1 1 360.326 2.125 20 0 FEADMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])s1 ZINC000736145798 600255089 /nfs/dbraw/zinc/25/50/89/600255089.db2.gz VUPFDZDUAJJJEV-QMMMGPOBSA-N -1 1 371.440 2.081 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736879394 600263944 /nfs/dbraw/zinc/26/39/44/600263944.db2.gz QAIDISIZBOVRRB-JOQOYGCGSA-N -1 1 350.434 2.306 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c(F)c1 ZINC000740150129 600279456 /nfs/dbraw/zinc/27/94/56/600279456.db2.gz JVYQJPWPZYBXHW-UHFFFAOYSA-N -1 1 365.405 2.100 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736167166 600304242 /nfs/dbraw/zinc/30/42/42/600304242.db2.gz HWIFCWLGEAUVIR-MLGOLLRUSA-N -1 1 359.426 2.159 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCN1CCOC ZINC000736941430 600339258 /nfs/dbraw/zinc/33/92/58/600339258.db2.gz WQSDMSFFRUPVCT-ZDUSSCGKSA-N -1 1 368.409 2.490 20 0 FEADMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000738499903 600373959 /nfs/dbraw/zinc/37/39/59/600373959.db2.gz MVAQERPXYWNPRN-CYBMUJFWSA-N -1 1 358.442 2.389 20 0 FEADMM CN1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000737524847 600377198 /nfs/dbraw/zinc/37/71/98/600377198.db2.gz YFOFESHVKNJJDZ-OLZOCXBDSA-N -1 1 360.332 2.311 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000738464180 600396711 /nfs/dbraw/zinc/39/67/11/600396711.db2.gz GIYUYFXGRPLMPE-IBGZPJMESA-N -1 1 353.422 2.069 20 0 FEADMM COc1ccccc1[C@@H]1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000738131254 600442686 /nfs/dbraw/zinc/44/26/86/600442686.db2.gz WZXUYVPRIDHTQU-OAHLLOKOSA-N -1 1 360.454 2.388 20 0 FEADMM C[C@H](NC(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000736641466 600515534 /nfs/dbraw/zinc/51/55/34/600515534.db2.gz RFGOPCJNJQCVAD-BBRMVZONSA-N -1 1 368.861 2.473 20 0 FEADMM C[C@H](NC(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1)c1ccccc1Cl ZINC000736640217 600515667 /nfs/dbraw/zinc/51/56/67/600515667.db2.gz JQISVQQJKSDENS-KBPBESRZSA-N -1 1 368.861 2.473 20 0 FEADMM CC[C@](C)(NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000736861731 600558914 /nfs/dbraw/zinc/55/89/14/600558914.db2.gz UQNMGWIFLZGIDY-BEFAXECRSA-N -1 1 364.442 2.210 20 0 FEADMM Cc1ccc(CN2CCCN(C(=O)CSC[C@H](C)C(=O)[O-])CC2)cc1 ZINC000738598968 600602416 /nfs/dbraw/zinc/60/24/16/600602416.db2.gz ZQLJGMUBCBOLLJ-INIZCTEOSA-N -1 1 364.511 2.483 20 0 FEADMM CS(=O)(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832704008 600735984 /nfs/dbraw/zinc/73/59/84/600735984.db2.gz QPZFOISMBNXCFZ-HNNXBMFYSA-N -1 1 352.387 2.113 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1(C)C ZINC000737157897 600741815 /nfs/dbraw/zinc/74/18/15/600741815.db2.gz OTGHIVYFSMVOGA-FGTMMUONSA-N -1 1 374.481 2.160 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000832956122 600781154 /nfs/dbraw/zinc/78/11/54/600781154.db2.gz ZBEFZKRAJGHYQN-KBPBESRZSA-N -1 1 354.472 2.234 20 0 FEADMM CCCN1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC000829507598 600814929 /nfs/dbraw/zinc/81/49/29/600814929.db2.gz ASOKZZWXXVRWMC-UHFFFAOYSA-N -1 1 363.439 2.250 20 0 FEADMM CCOCCN1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C[C@H]1C ZINC000830011635 600826212 /nfs/dbraw/zinc/82/62/12/600826212.db2.gz KBQCNWNZDZFXGI-CQSZACIVSA-N -1 1 370.877 2.460 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)NCc2nc3ccc(F)cc3[nH]2)c(C(=O)[O-])c1C ZINC000825936848 600832316 /nfs/dbraw/zinc/83/23/16/600832316.db2.gz NUZWVPIJBFPZQQ-UHFFFAOYSA-N -1 1 372.356 2.098 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)ccc1C(=O)[O-] ZINC000671659544 600892124 /nfs/dbraw/zinc/89/21/24/600892124.db2.gz ISQVQZXBLNAZTK-UHFFFAOYSA-N -1 1 372.406 2.134 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)c2nnc3ccccc3c2O)c1OC ZINC000737855217 600931273 /nfs/dbraw/zinc/93/12/73/600931273.db2.gz FGWOIGCXIUTDFN-UHFFFAOYSA-N -1 1 369.333 2.303 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1 ZINC000630227037 601088064 /nfs/dbraw/zinc/08/80/64/601088064.db2.gz YRABEVFYFMINDA-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccnc(Oc3ccccc3)c2)CC1 ZINC000630222143 601094379 /nfs/dbraw/zinc/09/43/79/601094379.db2.gz DAXINEZDXIGFHR-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM Cc1noc2nc(C3CC3)cc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c12 ZINC000630224544 601097849 /nfs/dbraw/zinc/09/78/49/601097849.db2.gz OTEKUGNPEXIIIP-NSHDSACASA-N -1 1 372.425 2.030 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)[nH]n2)cc1 ZINC000630224492 601107052 /nfs/dbraw/zinc/10/70/52/601107052.db2.gz POJZCNDQBFDKGI-CQSZACIVSA-N -1 1 356.426 2.006 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000827368506 601123335 /nfs/dbraw/zinc/12/33/35/601123335.db2.gz DIQBEUOEJWDWOW-LLVKDONJSA-N -1 1 370.247 2.462 20 0 FEADMM COc1cc(C)c(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1OC ZINC000831961610 601126404 /nfs/dbraw/zinc/12/64/04/601126404.db2.gz HOJZJXNMOOJKDL-ZDUSSCGKSA-N -1 1 365.430 2.025 20 0 FEADMM Cc1nc([C@H]2CN(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000832991905 601199176 /nfs/dbraw/zinc/19/91/76/601199176.db2.gz RPDUFADQXZMTJL-CQSZACIVSA-N -1 1 373.413 2.081 20 0 FEADMM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1 ZINC000833185805 601209969 /nfs/dbraw/zinc/20/99/69/601209969.db2.gz JAXRKEAFCQGDPG-STQMWFEESA-N -1 1 372.425 2.229 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(F)c1 ZINC000831434738 601233722 /nfs/dbraw/zinc/23/37/22/601233722.db2.gz ALPMIPNXSWVLRN-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000833183280 601278676 /nfs/dbraw/zinc/27/86/76/601278676.db2.gz RRYSIZWCUFJULY-SJORKVTESA-N -1 1 366.502 2.276 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CCN1C[C@@H](C)O ZINC000829143414 601333000 /nfs/dbraw/zinc/33/30/00/601333000.db2.gz ZOEOIOGKDFCBKI-IUODEOHRSA-N -1 1 350.419 2.085 20 0 FEADMM CCOc1ccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000830084473 601337934 /nfs/dbraw/zinc/33/79/34/601337934.db2.gz GHAZPMGRDCBIJL-CYBMUJFWSA-N -1 1 351.472 2.263 20 0 FEADMM CCOC(=O)C1(O)CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000829827152 601375605 /nfs/dbraw/zinc/37/56/05/601375605.db2.gz AFOMMNMLCITDLU-UHFFFAOYSA-N -1 1 363.435 2.490 20 0 FEADMM CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000825952168 601382432 /nfs/dbraw/zinc/38/24/32/601382432.db2.gz YOHKNVKBWSEFHY-UHFFFAOYSA-N -1 1 354.771 2.437 20 0 FEADMM CO[C@@H](C)c1noc(CN2CCCN(Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000820697301 601424799 /nfs/dbraw/zinc/42/47/99/601424799.db2.gz ZIKAZWDIIGXJCO-AWEZNQCLSA-N -1 1 374.441 2.183 20 0 FEADMM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000833099570 601448550 /nfs/dbraw/zinc/44/85/50/601448550.db2.gz DSXLNXKCIBBGML-AWEZNQCLSA-N -1 1 359.195 2.276 20 0 FEADMM O=C([O-])c1cc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)ccc1Cl ZINC000833300041 601478420 /nfs/dbraw/zinc/47/84/20/601478420.db2.gz ICYYQALRCCYJED-LBPRGKRZSA-N -1 1 367.833 2.224 20 0 FEADMM Cc1cc(C(=O)Nc2cc(CN(C)C)ccn2)cc(C)c1OCC(=O)[O-] ZINC000832865340 601623863 /nfs/dbraw/zinc/62/38/63/601623863.db2.gz YSKXEYBHNYIPQL-UHFFFAOYSA-N -1 1 357.410 2.476 20 0 FEADMM CCc1noc(C)c1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000830343870 601740124 /nfs/dbraw/zinc/74/01/24/601740124.db2.gz CXESYQQRGDYOAY-FQEVSTJZSA-N -1 1 371.437 2.395 20 0 FEADMM C[C@H](CN(Cc1ccccc1)CN1CC2(CC1=O)CCOCC2)C(=O)[O-] ZINC000827456216 601785841 /nfs/dbraw/zinc/78/58/41/601785841.db2.gz SRBAUVJUZXEZQZ-MRXNPFEDSA-N -1 1 360.454 2.196 20 0 FEADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C(=O)O1 ZINC000809382810 674492301 /nfs/dbraw/zinc/49/23/01/674492301.db2.gz NDMVUFJVBTWZQW-IMTBSYHQSA-N -1 1 357.737 2.341 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000298875871 601835696 /nfs/dbraw/zinc/83/56/96/601835696.db2.gz WRISGXBIOUEXDE-RYUDHWBXSA-N -1 1 374.890 2.437 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000298875871 601835697 /nfs/dbraw/zinc/83/56/97/601835697.db2.gz WRISGXBIOUEXDE-RYUDHWBXSA-N -1 1 374.890 2.437 20 0 FEADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829771057 601839547 /nfs/dbraw/zinc/83/95/47/601839547.db2.gz RHIIETHOLHZDDW-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM O=C([O-])N1CCC(C(=O)N2CCN(CC3CC3)CC2)(c2ccccc2)CC1 ZINC000740491371 601874212 /nfs/dbraw/zinc/87/42/12/601874212.db2.gz IWSVDNKJXYABRL-UHFFFAOYSA-N -1 1 371.481 2.252 20 0 FEADMM CC1CCC(N(C(=O)CN2CCSC[C@H]2CC(=O)[O-])C2CC2)CC1 ZINC000828225555 601885887 /nfs/dbraw/zinc/88/58/87/601885887.db2.gz DPBRASBPKPZHRZ-ZBCRRDGASA-N -1 1 354.516 2.448 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000563217862 601913796 /nfs/dbraw/zinc/91/37/96/601913796.db2.gz UALKJBKMICXMNZ-DIFFPNOSSA-N -1 1 368.455 2.357 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000828020061 601919916 /nfs/dbraw/zinc/91/99/16/601919916.db2.gz IFNBHPOEKKOYLG-CRAIPNDOSA-N -1 1 359.451 2.145 20 0 FEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000833150446 602018480 /nfs/dbraw/zinc/01/84/80/602018480.db2.gz MFNRTKHAUQIHIU-CXAGYDPISA-N -1 1 352.394 2.123 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)N2CCCC2)o1 ZINC000738262042 602020319 /nfs/dbraw/zinc/02/03/19/602020319.db2.gz SOAKHGHVBJRBBP-HUUCEWRRSA-N -1 1 364.446 2.167 20 0 FEADMM O=C(NCC(F)(F)F)C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000558401304 674493821 /nfs/dbraw/zinc/49/38/21/674493821.db2.gz JOKQZMLQANRWQS-UHFFFAOYSA-N -1 1 366.286 2.201 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2OCCc3ccccc32)n1 ZINC000824148428 607540031 /nfs/dbraw/zinc/54/00/31/607540031.db2.gz UNZDDSZBFFGCFX-AWEZNQCLSA-N -1 1 367.413 2.071 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2OCCc3ccccc32)n1 ZINC000824148428 607540034 /nfs/dbraw/zinc/54/00/34/607540034.db2.gz UNZDDSZBFFGCFX-AWEZNQCLSA-N -1 1 367.413 2.071 20 0 FEADMM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000739239659 602123996 /nfs/dbraw/zinc/12/39/96/602123996.db2.gz SMSUNZTXQOMGOU-PBHICJAKSA-N -1 1 362.474 2.055 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Cl)nc1Cl ZINC000776440714 602153988 /nfs/dbraw/zinc/15/39/88/602153988.db2.gz WPRNFRXCWWVKQD-UHFFFAOYSA-N -1 1 350.183 2.226 20 0 FEADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000832034598 602203484 /nfs/dbraw/zinc/20/34/84/602203484.db2.gz ZHSOHNIABOMDIX-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000831230694 602223797 /nfs/dbraw/zinc/22/37/97/602223797.db2.gz ICBBCQSTIUAEQF-GFCCVEGCSA-N -1 1 356.444 2.179 20 0 FEADMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000833297162 602225161 /nfs/dbraw/zinc/22/51/61/602225161.db2.gz JRUYMMWAHVWEIY-GFCCVEGCSA-N -1 1 355.803 2.117 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)C3(NC(=O)[O-])CCCCC3)n2)cc1 ZINC000739880063 602364306 /nfs/dbraw/zinc/36/43/06/602364306.db2.gz RHYFXTKZXFZMMZ-UHFFFAOYSA-N -1 1 373.413 2.067 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)C3(NC(=O)[O-])CCCCC3)n[nH]2)cc1 ZINC000739880063 602364308 /nfs/dbraw/zinc/36/43/08/602364308.db2.gz RHYFXTKZXFZMMZ-UHFFFAOYSA-N -1 1 373.413 2.067 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740182787 602384809 /nfs/dbraw/zinc/38/48/09/602384809.db2.gz JDQNMJFGLLAIKJ-MRXNPFEDSA-N -1 1 361.486 2.364 20 0 FEADMM CN(CC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1)C(=O)[O-] ZINC000739662012 602385445 /nfs/dbraw/zinc/38/54/45/602385445.db2.gz YGUSYXSLVHCLKS-SJORKVTESA-N -1 1 351.491 2.489 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000739014574 602445943 /nfs/dbraw/zinc/44/59/43/602445943.db2.gz HCPJKWMPEKNZSC-KBPBESRZSA-N -1 1 365.449 2.241 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000739016651 602450848 /nfs/dbraw/zinc/45/08/48/602450848.db2.gz QRDVFLACBHODGW-OLZOCXBDSA-N -1 1 365.499 2.389 20 0 FEADMM CCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739355292 602546864 /nfs/dbraw/zinc/54/68/64/602546864.db2.gz XPUGSMYTNYHMSN-CJNGLKHVSA-N -1 1 351.422 2.467 20 0 FEADMM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnnn1Cc1ccccc1 ZINC000739099596 602553818 /nfs/dbraw/zinc/55/38/18/602553818.db2.gz KKVQLGQQOUWFGR-KBXCAEBGSA-N -1 1 358.446 2.028 20 0 FEADMM C[C@@H](CNC(=O)[O-])N(C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000738939056 602554571 /nfs/dbraw/zinc/55/45/71/602554571.db2.gz LURGJRXQTBXRBJ-QMMMGPOBSA-N -1 1 373.335 2.108 20 0 FEADMM O=S(=O)(NCc1ccccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492246 607574050 /nfs/dbraw/zinc/57/40/50/607574050.db2.gz ZKHVDGPFALDFMB-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM O=S(=O)(NCc1ccccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492246 607574052 /nfs/dbraw/zinc/57/40/52/607574052.db2.gz ZKHVDGPFALDFMB-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC000824929722 607574515 /nfs/dbraw/zinc/57/45/15/607574515.db2.gz YDRXGGNYEFBLIO-JFGNBEQYSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC000824929722 607574516 /nfs/dbraw/zinc/57/45/16/607574516.db2.gz YDRXGGNYEFBLIO-JFGNBEQYSA-N -1 1 353.423 2.109 20 0 FEADMM O=S(=O)(Oc1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493441 607580017 /nfs/dbraw/zinc/58/00/17/607580017.db2.gz KUJBPBIIYZFGOZ-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493441 607580018 /nfs/dbraw/zinc/58/00/18/607580018.db2.gz KUJBPBIIYZFGOZ-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM Cc1ccccc1CC(=O)N1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740180712 602704830 /nfs/dbraw/zinc/70/48/30/602704830.db2.gz JZVWIDNTKHYTMX-KRWDZBQOSA-N -1 1 359.470 2.072 20 0 FEADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000739033695 602729720 /nfs/dbraw/zinc/72/97/20/602729720.db2.gz UOHNKKKVFWBUNS-NSHDSACASA-N -1 1 359.348 2.178 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)NC(=O)[O-] ZINC000738789110 602792998 /nfs/dbraw/zinc/79/29/98/602792998.db2.gz RISMFHMPKGOOMS-KBPBESRZSA-N -1 1 352.435 2.008 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)ccc1F ZINC000739609737 602808090 /nfs/dbraw/zinc/80/80/90/602808090.db2.gz FJUJFUYUHPYCGG-OAHLLOKOSA-N -1 1 366.437 2.219 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)c1ccco1 ZINC000739407353 602935075 /nfs/dbraw/zinc/93/50/75/602935075.db2.gz KHRNHLZJZJYTKS-RBSFLKMASA-N -1 1 366.462 2.350 20 0 FEADMM C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824936554 607596923 /nfs/dbraw/zinc/59/69/23/607596923.db2.gz JGMKALKMIVZLIW-WDEREUQCSA-N -1 1 353.423 2.110 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1ccco1 ZINC000739406820 602961665 /nfs/dbraw/zinc/96/16/65/602961665.db2.gz GXKNMKHCLZFMJR-HUUCEWRRSA-N -1 1 366.462 2.494 20 0 FEADMM CC(C)COC[C@@H](O)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558758817 674514614 /nfs/dbraw/zinc/51/46/14/674514614.db2.gz XVLRMORDKVCYJF-LBPRGKRZSA-N -1 1 352.818 2.357 20 0 FEADMM COCCN(CC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000739827889 603171366 /nfs/dbraw/zinc/17/13/66/603171366.db2.gz WFGMUHIVYJCMKN-SECBINFHSA-N -1 1 355.778 2.447 20 0 FEADMM Cc1ccc([C@H](NCCNC(=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000830261431 603179909 /nfs/dbraw/zinc/17/99/09/603179909.db2.gz CNUDDYLNTQVTMM-KRWDZBQOSA-N -1 1 362.451 2.345 20 0 FEADMM C[C@@H](CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)NC(=O)[O-] ZINC000824623485 603249051 /nfs/dbraw/zinc/24/90/51/603249051.db2.gz UJNCPGWFQAEHEC-LBPRGKRZSA-N -1 1 353.850 2.467 20 0 FEADMM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCN(C3CCC3)CC2)C1 ZINC000740529870 603290991 /nfs/dbraw/zinc/29/09/91/603290991.db2.gz NZDWWUQZDNOPKY-UHFFFAOYSA-N -1 1 358.442 2.425 20 0 FEADMM CCN(CC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)C(=O)[O-] ZINC000739455510 603376266 /nfs/dbraw/zinc/37/62/66/603376266.db2.gz IWVGAXRIIGDQIN-UHFFFAOYSA-N -1 1 368.865 2.420 20 0 FEADMM C[C@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739173934 603415165 /nfs/dbraw/zinc/41/51/65/603415165.db2.gz NKAJDWFFGMFBTR-HOCLYGCPSA-N -1 1 365.499 2.263 20 0 FEADMM Cc1[nH]nc(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1Br ZINC000830672874 603572712 /nfs/dbraw/zinc/57/27/12/603572712.db2.gz PICGAMZTJVQKGM-VIFPVBQESA-N -1 1 361.240 2.235 20 0 FEADMM CCN(CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)[C@@H](C)C(C)C ZINC000827157000 603596102 /nfs/dbraw/zinc/59/61/02/603596102.db2.gz UASPBRJJQHLPPZ-DEYYWGMASA-N -1 1 368.478 2.059 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-])c1ccsc1 ZINC000827994028 603688631 /nfs/dbraw/zinc/68/86/31/603688631.db2.gz GSYOFRGGNXJCNB-AEGPPILISA-N -1 1 368.503 2.476 20 0 FEADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC000828218246 603865567 /nfs/dbraw/zinc/86/55/67/603865567.db2.gz IBLZCCOFPVSRRT-KRWDZBQOSA-N -1 1 354.410 2.462 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccs1 ZINC000827996236 603887493 /nfs/dbraw/zinc/88/74/93/603887493.db2.gz WGUAKLPPLKQXAP-RDBSUJKOSA-N -1 1 366.487 2.277 20 0 FEADMM CCCC[C@@H](CNC(=O)[O-])NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000826807172 604017202 /nfs/dbraw/zinc/01/72/02/604017202.db2.gz UWKQLTNIRMKIHI-JTQLQIEISA-N -1 1 364.427 2.180 20 0 FEADMM Cc1cc([C@@H]2CCCN2C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])on1 ZINC000830031841 604034449 /nfs/dbraw/zinc/03/44/49/604034449.db2.gz ZDABLJKBFQNLGU-ULQDDVLXSA-N -1 1 359.426 2.360 20 0 FEADMM COC(=O)c1ccc(OCCN2CC[C@H](CNC(=O)[O-])C2)c(Cl)c1 ZINC000828788311 604044448 /nfs/dbraw/zinc/04/44/48/604044448.db2.gz FQDWSSPOCAQXMF-LLVKDONJSA-N -1 1 356.806 2.095 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@H](C)CN(C)C(=O)[O-])N2CCCC2)c1 ZINC000829543581 604064858 /nfs/dbraw/zinc/06/48/58/604064858.db2.gz MXHNUTJDZBUMFW-PBHICJAKSA-N -1 1 363.458 2.194 20 0 FEADMM C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825783710 604104287 /nfs/dbraw/zinc/10/42/87/604104287.db2.gz MTZSQIOTWCGNAC-BZUAXINKSA-N -1 1 369.506 2.018 20 0 FEADMM O=C([O-])NCCCOC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000832633828 604106127 /nfs/dbraw/zinc/10/61/27/604106127.db2.gz XKNVLBSWPXWBPK-MRXNPFEDSA-N -1 1 358.385 2.137 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000825217291 604114062 /nfs/dbraw/zinc/11/40/62/604114062.db2.gz DUOUCKDBHQUBNN-GUTXKFCHSA-N -1 1 368.503 2.429 20 0 FEADMM Cc1cccc(C)c1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826296623 607675229 /nfs/dbraw/zinc/67/52/29/607675229.db2.gz DCQYTYHFRDMDSI-UHFFFAOYSA-N -1 1 361.402 2.101 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000825252507 604246290 /nfs/dbraw/zinc/24/62/90/604246290.db2.gz FBVKGFBKTSJTCI-QWHCGFSZSA-N -1 1 351.472 2.001 20 0 FEADMM Cc1nnc(SCC(=O)NCCN(C(=O)[O-])C2CCCCCC2)[nH]1 ZINC000830678897 604269007 /nfs/dbraw/zinc/26/90/07/604269007.db2.gz RXBMFDMSCGNVEK-UHFFFAOYSA-N -1 1 355.464 2.024 20 0 FEADMM Cc1n[nH]c(SCC(=O)NCCN(C(=O)[O-])C2CCCCCC2)n1 ZINC000830678897 604269009 /nfs/dbraw/zinc/26/90/09/604269009.db2.gz RXBMFDMSCGNVEK-UHFFFAOYSA-N -1 1 355.464 2.024 20 0 FEADMM Cc1ccc(OCCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000832950448 604299848 /nfs/dbraw/zinc/29/98/48/604299848.db2.gz BOLMIVLHLTWHAA-KRWDZBQOSA-N -1 1 362.470 2.470 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)Nc3cc(C(=O)[O-])cs3)cc2)CC1 ZINC000830955053 604312761 /nfs/dbraw/zinc/31/27/61/604312761.db2.gz YOWWQCQOQFUWDS-UHFFFAOYSA-N -1 1 359.451 2.446 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)[nH]n1 ZINC000833057595 604645596 /nfs/dbraw/zinc/64/55/96/604645596.db2.gz DJLXNXFWNSFLHI-UHFFFAOYSA-N -1 1 364.365 2.102 20 0 FEADMM Cc1cc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)n(-c2ccccc2F)n1 ZINC000832892999 604739954 /nfs/dbraw/zinc/73/99/54/604739954.db2.gz JJWHHLDNVVZHBQ-LBPRGKRZSA-N -1 1 374.416 2.443 20 0 FEADMM CCc1nccn1[C@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000830327935 604755941 /nfs/dbraw/zinc/75/59/41/604755941.db2.gz KSTBFEIDTJQCIP-HNNXBMFYSA-N -1 1 370.453 2.444 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000833666216 604817546 /nfs/dbraw/zinc/81/75/46/604817546.db2.gz PYMBKYIKWKYKSZ-UHFFFAOYSA-N -1 1 366.395 2.081 20 0 FEADMM CN1CCCc2ccc(S(=O)(=O)Nc3ccc(NC(=O)[O-])nc3)cc21 ZINC000828489193 604828809 /nfs/dbraw/zinc/82/88/09/604828809.db2.gz RIQYNTUSEUMSRT-UHFFFAOYSA-N -1 1 362.411 2.355 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000833420525 604864278 /nfs/dbraw/zinc/86/42/78/604864278.db2.gz TVBMKLFPPNSOEN-AWEZNQCLSA-N -1 1 365.474 2.412 20 0 FEADMM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1nnc2ccccc2c1O ZINC000237955270 604937843 /nfs/dbraw/zinc/93/78/43/604937843.db2.gz OMJBNCALKBTKKN-UHFFFAOYSA-N -1 1 365.389 2.430 20 0 FEADMM O=C([O-])NCc1nc(C(=O)N2CCN(C3CCCCC3)CC2)cs1 ZINC000832734514 604945393 /nfs/dbraw/zinc/94/53/93/604945393.db2.gz CUBBYDPDTXKXEL-UHFFFAOYSA-N -1 1 352.460 2.001 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000833550488 604946561 /nfs/dbraw/zinc/94/65/61/604946561.db2.gz MYAARGYTXDSEED-KUHUBIRLSA-N -1 1 360.458 2.113 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1Cl ZINC000327113388 605001080 /nfs/dbraw/zinc/00/10/80/605001080.db2.gz OFPXQVXNOVMJOL-LBPRGKRZSA-N -1 1 372.874 2.287 20 0 FEADMM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833539927 605024303 /nfs/dbraw/zinc/02/43/03/605024303.db2.gz QANBFAWTVUPDDY-WBMJQRKESA-N -1 1 359.426 2.287 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cs2)cc1 ZINC000833746459 605024962 /nfs/dbraw/zinc/02/49/62/605024962.db2.gz HREFXKNDHKZVLA-HNNXBMFYSA-N -1 1 370.434 2.196 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000833624839 605044389 /nfs/dbraw/zinc/04/43/89/605044389.db2.gz LAVWWADKXXYFNY-DOTOQJQBSA-N -1 1 359.470 2.297 20 0 FEADMM CN(CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000833691204 605044482 /nfs/dbraw/zinc/04/44/82/605044482.db2.gz LELVHHRZMIPFRZ-ZDUSSCGKSA-N -1 1 372.437 2.205 20 0 FEADMM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833420197 605059923 /nfs/dbraw/zinc/05/99/23/605059923.db2.gz CRGUQRXCPUIKHP-LBPRGKRZSA-N -1 1 358.398 2.237 20 0 FEADMM CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC000833496061 605085035 /nfs/dbraw/zinc/08/50/35/605085035.db2.gz OCMZTAXPQFGHAL-UHFFFAOYSA-N -1 1 366.439 2.297 20 0 FEADMM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2cccc(O)c2)cc(C(=O)[O-])c1 ZINC000833714735 605122150 /nfs/dbraw/zinc/12/21/50/605122150.db2.gz LDSMXRYQJNXGKG-NSHDSACASA-N -1 1 372.377 2.166 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)ccc1OCC(=O)[O-] ZINC000833661677 605133504 /nfs/dbraw/zinc/13/35/04/605133504.db2.gz VCPSGQLTHDCHRC-UONOGXRCSA-N -1 1 364.442 2.103 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000833622308 605158099 /nfs/dbraw/zinc/15/80/99/605158099.db2.gz OYACKGOVTZKXDQ-IDTUSYRASA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC000833625364 605162320 /nfs/dbraw/zinc/16/23/20/605162320.db2.gz LFHIUIHODZWXRM-CQSZACIVSA-N -1 1 373.428 2.452 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C[C@H]1C ZINC000833656546 605165232 /nfs/dbraw/zinc/16/52/32/605165232.db2.gz JIVXFHSRPQTVLH-VXGBXAGGSA-N -1 1 363.414 2.118 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000833626969 605168661 /nfs/dbraw/zinc/16/86/61/605168661.db2.gz UCYFUXCQMKOBQC-OAHLLOKOSA-N -1 1 355.438 2.313 20 0 FEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)NCCSCC(=O)[O-] ZINC000833624710 605173341 /nfs/dbraw/zinc/17/33/41/605173341.db2.gz URMFDXMMBGRWOG-LSDHHAIUSA-N -1 1 365.499 2.109 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc(Cl)c1Cl ZINC000833628125 605199259 /nfs/dbraw/zinc/19/92/59/605199259.db2.gz BMQYPVVFYUNLCX-NSHDSACASA-N -1 1 374.268 2.413 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833487445 605200086 /nfs/dbraw/zinc/20/00/86/605200086.db2.gz DBYHCSIETIWVEE-UHFFFAOYSA-N -1 1 372.462 2.265 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CCN1CCC(=O)[O-] ZINC000833619704 605253964 /nfs/dbraw/zinc/25/39/64/605253964.db2.gz DNDJFVSZFSDDOC-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000831446912 605269679 /nfs/dbraw/zinc/26/96/79/605269679.db2.gz WMBNQVYBTNZLEX-UHFFFAOYSA-N -1 1 368.437 2.347 20 0 FEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCN(C(=O)c3ccccc3F)CC2)O1 ZINC000833576850 605316498 /nfs/dbraw/zinc/31/64/98/605316498.db2.gz AKFNHECPIMMIEG-CQSZACIVSA-N -1 1 362.401 2.121 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)CCO2)n[nH]1 ZINC000826954233 605320126 /nfs/dbraw/zinc/32/01/26/605320126.db2.gz PACDZMFUJPLECJ-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)CCO2)n1 ZINC000826954233 605320132 /nfs/dbraw/zinc/32/01/32/605320132.db2.gz PACDZMFUJPLECJ-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM C[C@H](Cc1noc([C@@H]2CCCN(Cc3cccnc3)C2)n1)N(C)C(=O)[O-] ZINC000825041432 605329970 /nfs/dbraw/zinc/32/99/70/605329970.db2.gz CNCVTXWSBOLPPE-UKRRQHHQSA-N -1 1 359.430 2.385 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])[nH]n1 ZINC000831031184 605337608 /nfs/dbraw/zinc/33/76/08/605337608.db2.gz LJRCFGSKHPTPQH-RYUDHWBXSA-N -1 1 360.418 2.355 20 0 FEADMM CC(C)(C)[C@@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000833426501 605349756 /nfs/dbraw/zinc/34/97/56/605349756.db2.gz VFOAOSCECOIRQC-CQSZACIVSA-N -1 1 359.426 2.479 20 0 FEADMM C[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000833622233 605376002 /nfs/dbraw/zinc/37/60/02/605376002.db2.gz KTKNBHIJDMQBLP-XFJVYGCCSA-N -1 1 356.825 2.257 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 ZINC000833815460 605502408 /nfs/dbraw/zinc/50/24/08/605502408.db2.gz HOIWZEBACFJKSB-SGMGOOAPSA-N -1 1 354.476 2.038 20 0 FEADMM O=C(C[C@H]1CSCCN1C(=O)[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC000831407373 605579223 /nfs/dbraw/zinc/57/92/23/605579223.db2.gz FQSHKFKUUDDJFT-KBPBESRZSA-N -1 1 367.471 2.018 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000825815926 605598448 /nfs/dbraw/zinc/59/84/48/605598448.db2.gz GIIJTELUFQUBAR-JHJVBQTASA-N -1 1 354.476 2.181 20 0 FEADMM CN(C)[C@H](CNC(=O)C[C@H]1CSCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000827994887 605616750 /nfs/dbraw/zinc/61/67/50/605616750.db2.gz OJYRZBCUPCGABD-LSDHHAIUSA-N -1 1 369.462 2.030 20 0 FEADMM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433582 607768133 /nfs/dbraw/zinc/76/81/33/607768133.db2.gz LCIFCDSAJPZKHI-CQSZACIVSA-N -1 1 355.423 2.172 20 0 FEADMM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433582 607768134 /nfs/dbraw/zinc/76/81/34/607768134.db2.gz LCIFCDSAJPZKHI-CQSZACIVSA-N -1 1 355.423 2.172 20 0 FEADMM CC(C)(NC(=O)[O-])C(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000833460819 605708810 /nfs/dbraw/zinc/70/88/10/605708810.db2.gz HGETXXBSIVIMGP-UHFFFAOYSA-N -1 1 356.176 2.415 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)Cc1nccs1 ZINC000822535567 606036609 /nfs/dbraw/zinc/03/66/09/606036609.db2.gz WVEQKBGZSJWWBZ-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)Cc1nccs1 ZINC000822535567 606036615 /nfs/dbraw/zinc/03/66/15/606036615.db2.gz WVEQKBGZSJWWBZ-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823607192 606124145 /nfs/dbraw/zinc/12/41/45/606124145.db2.gz RMCANZSHHBOHFH-PHIMTYICSA-N -1 1 367.862 2.331 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823607192 606124146 /nfs/dbraw/zinc/12/41/46/606124146.db2.gz RMCANZSHHBOHFH-PHIMTYICSA-N -1 1 367.862 2.331 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823600538 606124250 /nfs/dbraw/zinc/12/42/50/606124250.db2.gz HZIXLUGUFKMTPT-PHIMTYICSA-N -1 1 367.862 2.331 20 0 FEADMM O=C(OCCCOc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823401182 606138387 /nfs/dbraw/zinc/13/83/87/606138387.db2.gz QXEKMESZDQSWGQ-UHFFFAOYSA-N -1 1 374.378 2.283 20 0 FEADMM O=C(OCCCOc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823401182 606138388 /nfs/dbraw/zinc/13/83/88/606138388.db2.gz QXEKMESZDQSWGQ-UHFFFAOYSA-N -1 1 374.378 2.283 20 0 FEADMM Cc1cc(C)c(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000822194069 606140501 /nfs/dbraw/zinc/14/05/01/606140501.db2.gz HITGVAKNUBQIRU-UHFFFAOYSA-N -1 1 359.342 2.082 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000822609636 606155514 /nfs/dbraw/zinc/15/55/14/606155514.db2.gz SQARRJMZQVTLRU-CYBMUJFWSA-N -1 1 374.355 2.247 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000822609636 606155516 /nfs/dbraw/zinc/15/55/16/606155516.db2.gz SQARRJMZQVTLRU-CYBMUJFWSA-N -1 1 374.355 2.247 20 0 FEADMM CCCCOc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821077965 606156593 /nfs/dbraw/zinc/15/65/93/606156593.db2.gz YVMLPRBPHRNZSZ-UHFFFAOYSA-N -1 1 370.417 2.101 20 0 FEADMM CCCCOc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821077965 606156594 /nfs/dbraw/zinc/15/65/94/606156594.db2.gz YVMLPRBPHRNZSZ-UHFFFAOYSA-N -1 1 370.417 2.101 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000822614742 606168791 /nfs/dbraw/zinc/16/87/91/606168791.db2.gz QRCXNMGRJQFDGC-HIFRSBDPSA-N -1 1 366.429 2.448 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000822614742 606168792 /nfs/dbraw/zinc/16/87/92/606168792.db2.gz QRCXNMGRJQFDGC-HIFRSBDPSA-N -1 1 366.429 2.448 20 0 FEADMM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820570249 606171549 /nfs/dbraw/zinc/17/15/49/606171549.db2.gz FGYPGFVSRIIBPY-SECBINFHSA-N -1 1 360.809 2.479 20 0 FEADMM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820570249 606171551 /nfs/dbraw/zinc/17/15/51/606171551.db2.gz FGYPGFVSRIIBPY-SECBINFHSA-N -1 1 360.809 2.479 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820021157 606171949 /nfs/dbraw/zinc/17/19/49/606171949.db2.gz PXJKWTJKJZDIMY-AWEZNQCLSA-N -1 1 372.408 2.128 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820021157 606171951 /nfs/dbraw/zinc/17/19/51/606171951.db2.gz PXJKWTJKJZDIMY-AWEZNQCLSA-N -1 1 372.408 2.128 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823583533 606181489 /nfs/dbraw/zinc/18/14/89/606181489.db2.gz SJQANACYNLGBMF-UHFFFAOYSA-N -1 1 367.394 2.058 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000822004106 606196825 /nfs/dbraw/zinc/19/68/25/606196825.db2.gz AJHIQQXPVAWGQB-JRPNMDOOSA-N -1 1 372.473 2.458 20 0 FEADMM Cc1nsc(N(C)C(=O)c2cc(F)c(F)c(F)c2F)c1-c1nnn[n-]1 ZINC000822530522 606236767 /nfs/dbraw/zinc/23/67/67/606236767.db2.gz FPNGATKKWSKIHJ-UHFFFAOYSA-N -1 1 372.307 2.465 20 0 FEADMM Cc1nsc(N(C)C(=O)c2cc(F)c(F)c(F)c2F)c1-c1nn[n-]n1 ZINC000822530522 606236769 /nfs/dbraw/zinc/23/67/69/606236769.db2.gz FPNGATKKWSKIHJ-UHFFFAOYSA-N -1 1 372.307 2.465 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c(Cl)nc2ccccn21 ZINC000823294560 606298647 /nfs/dbraw/zinc/29/86/47/606298647.db2.gz GYGJFOAENYXXOV-UHFFFAOYSA-N -1 1 355.745 2.126 20 0 FEADMM Clc1ccc(Nc2ccc(N3CCOCC3)cc2)nc1-c1nnn[n-]1 ZINC000822579224 606439223 /nfs/dbraw/zinc/43/92/23/606439223.db2.gz YMDYAUPAEFHKKE-UHFFFAOYSA-N -1 1 357.805 2.495 20 0 FEADMM Clc1ccc(Nc2ccc(N3CCOCC3)cc2)nc1-c1nn[n-]n1 ZINC000822579224 606439225 /nfs/dbraw/zinc/43/92/25/606439225.db2.gz YMDYAUPAEFHKKE-UHFFFAOYSA-N -1 1 357.805 2.495 20 0 FEADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821207310 606491648 /nfs/dbraw/zinc/49/16/48/606491648.db2.gz KUDJUMDHLMSRCW-LLVKDONJSA-N -1 1 371.422 2.230 20 0 FEADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821207310 606491649 /nfs/dbraw/zinc/49/16/49/606491649.db2.gz KUDJUMDHLMSRCW-LLVKDONJSA-N -1 1 371.422 2.230 20 0 FEADMM Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000822323272 606492220 /nfs/dbraw/zinc/49/22/20/606492220.db2.gz BXZVHRNKOPALRL-UHFFFAOYSA-N -1 1 370.438 2.256 20 0 FEADMM Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000822323272 606492221 /nfs/dbraw/zinc/49/22/21/606492221.db2.gz BXZVHRNKOPALRL-UHFFFAOYSA-N -1 1 370.438 2.256 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCc2ccccc21 ZINC000820270032 606508110 /nfs/dbraw/zinc/50/81/10/606508110.db2.gz SSNGXDJEVGLXFX-LLVKDONJSA-N -1 1 354.439 2.109 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCc2ccccc21 ZINC000820270032 606508112 /nfs/dbraw/zinc/50/81/12/606508112.db2.gz SSNGXDJEVGLXFX-LLVKDONJSA-N -1 1 354.439 2.109 20 0 FEADMM CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821635232 606514808 /nfs/dbraw/zinc/51/48/08/606514808.db2.gz SAVPRYHPQJCTNX-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821635232 606514809 /nfs/dbraw/zinc/51/48/09/606514809.db2.gz SAVPRYHPQJCTNX-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccccc2F)CC1 ZINC000823484107 606517700 /nfs/dbraw/zinc/51/77/00/606517700.db2.gz RRTFSCDEGTVNGC-UHFFFAOYSA-N -1 1 358.402 2.030 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2F)CC1 ZINC000823484107 606517702 /nfs/dbraw/zinc/51/77/02/606517702.db2.gz RRTFSCDEGTVNGC-UHFFFAOYSA-N -1 1 358.402 2.030 20 0 FEADMM O=C(CSc1ccc2ccccc2c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823070834 606531312 /nfs/dbraw/zinc/53/13/12/606531312.db2.gz QPBZOJYKOODZNM-UHFFFAOYSA-N -1 1 351.395 2.474 20 0 FEADMM O=C(CSc1ccc2ccccc2c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823070834 606531314 /nfs/dbraw/zinc/53/13/14/606531314.db2.gz QPBZOJYKOODZNM-UHFFFAOYSA-N -1 1 351.395 2.474 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(C2CC2)no1 ZINC000820025886 606548610 /nfs/dbraw/zinc/54/86/10/606548610.db2.gz DYPPFZPAQGYVFA-NSHDSACASA-N -1 1 359.415 2.316 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(C2CC2)no1 ZINC000820025886 606548611 /nfs/dbraw/zinc/54/86/11/606548611.db2.gz DYPPFZPAQGYVFA-NSHDSACASA-N -1 1 359.415 2.316 20 0 FEADMM CCCC[C@@H](CCC)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821040991 606634631 /nfs/dbraw/zinc/63/46/31/606634631.db2.gz WSNHGTFJJOYADG-GFCCVEGCSA-N -1 1 352.464 2.147 20 0 FEADMM CCCC[C@@H](CCC)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821040991 606634632 /nfs/dbraw/zinc/63/46/32/606634632.db2.gz WSNHGTFJJOYADG-GFCCVEGCSA-N -1 1 352.464 2.147 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821823842 606647924 /nfs/dbraw/zinc/64/79/24/606647924.db2.gz DSPOUZVVSWTKER-UHFFFAOYSA-N -1 1 359.773 2.210 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821823842 606647925 /nfs/dbraw/zinc/64/79/25/606647925.db2.gz DSPOUZVVSWTKER-UHFFFAOYSA-N -1 1 359.773 2.210 20 0 FEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000822020957 606652130 /nfs/dbraw/zinc/65/21/30/606652130.db2.gz PAUJVPKZZYNDBF-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000822020957 606652131 /nfs/dbraw/zinc/65/21/31/606652131.db2.gz PAUJVPKZZYNDBF-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000822345400 606653524 /nfs/dbraw/zinc/65/35/24/606653524.db2.gz ICEFBMMOJUQJNG-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000822345400 606653525 /nfs/dbraw/zinc/65/35/25/606653525.db2.gz ICEFBMMOJUQJNG-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM FC(F)(F)CN1CC[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822718708 606798592 /nfs/dbraw/zinc/79/85/92/606798592.db2.gz PHWHMXIXJJNRTK-LURJTMIESA-N -1 1 367.788 2.273 20 0 FEADMM FC(F)(F)CN1CC[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822718708 606798594 /nfs/dbraw/zinc/79/85/94/606798594.db2.gz PHWHMXIXJJNRTK-LURJTMIESA-N -1 1 367.788 2.273 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822237334 606840966 /nfs/dbraw/zinc/84/09/66/606840966.db2.gz PIPHLISDLAVQGI-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820825749 606843097 /nfs/dbraw/zinc/84/30/97/606843097.db2.gz CQVBQICWMDWVIZ-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM CCc1nnc(Oc2cc(C=O)ccc2OC)c(-c2nnn[n-]2)c1CC ZINC000821548011 606916053 /nfs/dbraw/zinc/91/60/53/606916053.db2.gz GEHFBZOBEQAADN-UHFFFAOYSA-N -1 1 354.370 2.395 20 0 FEADMM CCc1nnc(Oc2cc(C=O)ccc2OC)c(-c2nn[n-]n2)c1CC ZINC000821548011 606916054 /nfs/dbraw/zinc/91/60/54/606916054.db2.gz GEHFBZOBEQAADN-UHFFFAOYSA-N -1 1 354.370 2.395 20 0 FEADMM CC[C@@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820950515 606938311 /nfs/dbraw/zinc/93/83/11/606938311.db2.gz OSHFIXYVNIYJRQ-AWEZNQCLSA-N -1 1 355.851 2.331 20 0 FEADMM CC[C@@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820950515 606938312 /nfs/dbraw/zinc/93/83/12/606938312.db2.gz OSHFIXYVNIYJRQ-AWEZNQCLSA-N -1 1 355.851 2.331 20 0 FEADMM CCC(CC)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000820893777 607025607 /nfs/dbraw/zinc/02/56/07/607025607.db2.gz VIABHTTUKVAKNN-UHFFFAOYSA-N -1 1 373.461 2.207 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1C1CCCCC1 ZINC000823512656 607035519 /nfs/dbraw/zinc/03/55/19/607035519.db2.gz QLKGIADFKFEEKM-LBPRGKRZSA-N -1 1 361.837 2.261 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1C1CCCCC1 ZINC000823512656 607035521 /nfs/dbraw/zinc/03/55/21/607035521.db2.gz QLKGIADFKFEEKM-LBPRGKRZSA-N -1 1 361.837 2.261 20 0 FEADMM CC(C)c1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC000820206497 607039108 /nfs/dbraw/zinc/03/91/08/607039108.db2.gz NFLGPNSBYBKMSP-UHFFFAOYSA-N -1 1 371.788 2.390 20 0 FEADMM CC(C)N(CC(F)(F)F)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824288365 607864103 /nfs/dbraw/zinc/86/41/03/607864103.db2.gz DPJGQJSEXGPODJ-UHFFFAOYSA-N -1 1 361.299 2.184 20 0 FEADMM CC(C)N(CC(F)(F)F)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824288365 607864104 /nfs/dbraw/zinc/86/41/04/607864104.db2.gz DPJGQJSEXGPODJ-UHFFFAOYSA-N -1 1 361.299 2.184 20 0 FEADMM COCCn1c2ccccc2nc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000826164090 607894744 /nfs/dbraw/zinc/89/47/44/607894744.db2.gz ZEXCJJBAFYVGEE-UHFFFAOYSA-N -1 1 353.411 2.409 20 0 FEADMM COCCn1c2ccccc2nc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000826164090 607894745 /nfs/dbraw/zinc/89/47/45/607894745.db2.gz ZEXCJJBAFYVGEE-UHFFFAOYSA-N -1 1 353.411 2.409 20 0 FEADMM CC(C)(C)C1=CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824072666 607971753 /nfs/dbraw/zinc/97/17/53/607971753.db2.gz XJIIZRJUMLLZNG-UHFFFAOYSA-N -1 1 365.434 2.373 20 0 FEADMM CC(C)(C)C1=CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824072666 607971754 /nfs/dbraw/zinc/97/17/54/607971754.db2.gz XJIIZRJUMLLZNG-UHFFFAOYSA-N -1 1 365.434 2.373 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c(F)c(F)cc(F)c1F ZINC000826451303 607997737 /nfs/dbraw/zinc/99/77/37/607997737.db2.gz ZWNUVIGVKJTXEK-UHFFFAOYSA-N -1 1 353.235 2.381 20 0 FEADMM COc1ccc2nc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])ccc2c1 ZINC000826213653 607999663 /nfs/dbraw/zinc/99/96/63/607999663.db2.gz FZVWHZDRNVGFLP-UHFFFAOYSA-N -1 1 362.349 2.381 20 0 FEADMM Cc1cc([C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262137 608008058 /nfs/dbraw/zinc/00/80/58/608008058.db2.gz FLYKSFJHPSBQGQ-CQSZACIVSA-N -1 1 370.392 2.321 20 0 FEADMM Cc1cc([C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262137 608008059 /nfs/dbraw/zinc/00/80/59/608008059.db2.gz FLYKSFJHPSBQGQ-CQSZACIVSA-N -1 1 370.392 2.321 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc([C@H]2CCCO2)s1 ZINC000826451005 608030494 /nfs/dbraw/zinc/03/04/94/608030494.db2.gz LZOQNSZBKVSWKJ-LLVKDONJSA-N -1 1 358.383 2.133 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC12CCC2 ZINC000824962084 608155161 /nfs/dbraw/zinc/15/51/61/608155161.db2.gz NXRAGZQHTSYJEH-NSHDSACASA-N -1 1 365.434 2.207 20 0 FEADMM COc1ccccc1SCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826220803 608171565 /nfs/dbraw/zinc/17/15/65/608171565.db2.gz APVPZZWLJJIBTG-UHFFFAOYSA-N -1 1 357.395 2.312 20 0 FEADMM CCc1nc([C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000825744802 608180363 /nfs/dbraw/zinc/18/03/63/608180363.db2.gz FNLKZBUCJGNGTP-ZCFIWIBFSA-N -1 1 352.811 2.264 20 0 FEADMM CCc1nc([C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000825744802 608180364 /nfs/dbraw/zinc/18/03/64/608180364.db2.gz FNLKZBUCJGNGTP-ZCFIWIBFSA-N -1 1 352.811 2.264 20 0 FEADMM COc1ccc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)cc1O ZINC000826193222 608192536 /nfs/dbraw/zinc/19/25/36/608192536.db2.gz VLAAORKRGTZSEL-UHFFFAOYSA-N -1 1 352.807 2.327 20 0 FEADMM COc1ccc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)cc1O ZINC000826193222 608192538 /nfs/dbraw/zinc/19/25/38/608192538.db2.gz VLAAORKRGTZSEL-UHFFFAOYSA-N -1 1 352.807 2.327 20 0 FEADMM Clc1nsc(N2CC[C@@H](OCc3ccncc3)C2)c1-c1nnn[n-]1 ZINC000826354196 608193241 /nfs/dbraw/zinc/19/32/41/608193241.db2.gz SQBWODMYHKFVQO-SNVBAGLBSA-N -1 1 363.834 2.167 20 0 FEADMM Clc1nsc(N2CC[C@@H](OCc3ccncc3)C2)c1-c1nn[n-]n1 ZINC000826354196 608193242 /nfs/dbraw/zinc/19/32/42/608193242.db2.gz SQBWODMYHKFVQO-SNVBAGLBSA-N -1 1 363.834 2.167 20 0 FEADMM Cn1c(COC(=O)c2sccc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000826355871 608200757 /nfs/dbraw/zinc/20/07/57/608200757.db2.gz QHLYFFGHVTZHQR-UHFFFAOYSA-N -1 1 367.394 2.081 20 0 FEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824977926 608261545 /nfs/dbraw/zinc/26/15/45/608261545.db2.gz SXGLRUMVBFMIAI-QWHCGFSZSA-N -1 1 373.461 2.091 20 0 FEADMM CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1cccs1 ZINC000825796326 608393684 /nfs/dbraw/zinc/39/36/84/608393684.db2.gz CLVJAKPOAXZGFO-UHFFFAOYSA-N -1 1 357.428 2.148 20 0 FEADMM CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1cccs1 ZINC000825796326 608393686 /nfs/dbraw/zinc/39/36/86/608393686.db2.gz CLVJAKPOAXZGFO-UHFFFAOYSA-N -1 1 357.428 2.148 20 0 FEADMM C[C@H](Cc1ccc(Br)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824450267 608399182 /nfs/dbraw/zinc/39/91/82/608399182.db2.gz SVUWNXCUWOLCDN-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Cc1ccc(Br)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824450267 608399184 /nfs/dbraw/zinc/39/91/84/608399184.db2.gz SVUWNXCUWOLCDN-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM c1cc(N2CCCCCC2)ncc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826517033 608400447 /nfs/dbraw/zinc/40/04/47/608400447.db2.gz MVCSYKOTMPOALK-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM c1cc(N2CCCCCC2)ncc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826517033 608400449 /nfs/dbraw/zinc/40/04/49/608400449.db2.gz MVCSYKOTMPOALK-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM FC(F)(F)Oc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826368119 608400526 /nfs/dbraw/zinc/40/05/26/608400526.db2.gz CGQSVKBZWFSURK-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)Oc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826368119 608400528 /nfs/dbraw/zinc/40/05/28/608400528.db2.gz CGQSVKBZWFSURK-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM Brc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC000823832465 608402772 /nfs/dbraw/zinc/40/27/72/608402772.db2.gz OYJPPFHLMGERLK-SNVBAGLBSA-N -1 1 374.202 2.355 20 0 FEADMM Brc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC000823832465 608402773 /nfs/dbraw/zinc/40/27/73/608402773.db2.gz OYJPPFHLMGERLK-SNVBAGLBSA-N -1 1 374.202 2.355 20 0 FEADMM CC(C)OC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824304851 608425909 /nfs/dbraw/zinc/42/59/09/608425909.db2.gz GMTQUFPQSCYIQN-CQSZACIVSA-N -1 1 353.386 2.152 20 0 FEADMM CC(C)OC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824304851 608425910 /nfs/dbraw/zinc/42/59/10/608425910.db2.gz GMTQUFPQSCYIQN-CQSZACIVSA-N -1 1 353.386 2.152 20 0 FEADMM O=C(CCCCCNc1ccc(-c2nnn[n-]2)nn1)OCc1ccccc1 ZINC000826406454 608431046 /nfs/dbraw/zinc/43/10/46/608431046.db2.gz XYKZXRJLGMDJIT-UHFFFAOYSA-N -1 1 367.413 2.372 20 0 FEADMM O=C(CCCCCNc1ccc(-c2nn[n-]n2)nn1)OCc1ccccc1 ZINC000826406454 608431048 /nfs/dbraw/zinc/43/10/48/608431048.db2.gz XYKZXRJLGMDJIT-UHFFFAOYSA-N -1 1 367.413 2.372 20 0 FEADMM O[C@@H](C[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000826502106 608432070 /nfs/dbraw/zinc/43/20/70/608432070.db2.gz UTEYVGDGAMBMSR-JSGCOSHPSA-N -1 1 355.402 2.122 20 0 FEADMM O[C@@H](C[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000826502106 608432071 /nfs/dbraw/zinc/43/20/71/608432071.db2.gz UTEYVGDGAMBMSR-JSGCOSHPSA-N -1 1 355.402 2.122 20 0 FEADMM CC[C@H](CSC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825125335 608474793 /nfs/dbraw/zinc/47/47/93/608474793.db2.gz CCQYDJIRYGIITC-LLVKDONJSA-N -1 1 360.443 2.430 20 0 FEADMM CC[C@H](CSC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825125335 608474794 /nfs/dbraw/zinc/47/47/94/608474794.db2.gz CCQYDJIRYGIITC-LLVKDONJSA-N -1 1 360.443 2.430 20 0 FEADMM Cc1cccc(C=O)c1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826297580 608562518 /nfs/dbraw/zinc/56/25/18/608562518.db2.gz LVRGCIJDTAQHTA-UHFFFAOYSA-N -1 1 358.379 2.064 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825494292 608689616 /nfs/dbraw/zinc/68/96/16/608689616.db2.gz VKCIVCNSCAYCGV-HNNXBMFYSA-N -1 1 355.398 2.066 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825494292 608689618 /nfs/dbraw/zinc/68/96/18/608689618.db2.gz VKCIVCNSCAYCGV-HNNXBMFYSA-N -1 1 355.398 2.066 20 0 FEADMM COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000826158462 608756540 /nfs/dbraw/zinc/75/65/40/608756540.db2.gz PYDDCHXVWMJFDQ-UHFFFAOYSA-N -1 1 371.372 2.000 20 0 FEADMM Cc1nc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)oc1C ZINC000826326620 609281136 /nfs/dbraw/zinc/28/11/36/609281136.db2.gz XMIXYSNUJKWWLA-UHFFFAOYSA-N -1 1 354.349 2.408 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC2(C)CCC(C)CC2)cc1-c1nn[n-]n1 ZINC000826229455 609298464 /nfs/dbraw/zinc/29/84/64/609298464.db2.gz FJZFUMNNNSWHJU-UHFFFAOYSA-N -1 1 362.459 2.388 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC000826459112 609313848 /nfs/dbraw/zinc/31/38/48/609313848.db2.gz UZVDWEODWGAOOX-UHFFFAOYSA-N -1 1 365.328 2.149 20 0 FEADMM CC(C)(C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824093934 609357384 /nfs/dbraw/zinc/35/73/84/609357384.db2.gz NUYMDSAIDYEBMS-UHFFFAOYSA-N -1 1 358.381 2.359 20 0 FEADMM C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824945292 609358123 /nfs/dbraw/zinc/35/81/23/609358123.db2.gz AXZFCKNUUVFWSM-SNVBAGLBSA-N -1 1 356.365 2.065 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826343381 609468552 /nfs/dbraw/zinc/46/85/52/609468552.db2.gz YEJLIXHKMNLVJQ-UHFFFAOYSA-N -1 1 364.768 2.157 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2ccc(Cl)c(F)c2)c1-c1nn[n-]n1 ZINC000826343381 609468555 /nfs/dbraw/zinc/46/85/55/609468555.db2.gz YEJLIXHKMNLVJQ-UHFFFAOYSA-N -1 1 364.768 2.157 20 0 FEADMM Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000826325182 609505894 /nfs/dbraw/zinc/50/58/94/609505894.db2.gz PVUMYIVWGBWVOA-SNVBAGLBSA-N -1 1 359.415 2.377 20 0 FEADMM Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000826325182 609505896 /nfs/dbraw/zinc/50/58/96/609505896.db2.gz PVUMYIVWGBWVOA-SNVBAGLBSA-N -1 1 359.415 2.377 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000826341037 609623136 /nfs/dbraw/zinc/62/31/36/609623136.db2.gz UMGYTPADMDYZHW-DGCLKSJQSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000826341037 609623137 /nfs/dbraw/zinc/62/31/37/609623137.db2.gz UMGYTPADMDYZHW-DGCLKSJQSA-N -1 1 370.413 2.104 20 0 FEADMM O=C(Cc1cscc1Br)NC1(c2nn[n-]n2)CCCC1 ZINC000559887132 674559345 /nfs/dbraw/zinc/55/93/45/674559345.db2.gz BLOJEWDQFWZGFD-UHFFFAOYSA-N -1 1 356.249 2.152 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1F ZINC000560028744 674564497 /nfs/dbraw/zinc/56/44/97/674564497.db2.gz MGUBENCNWGYNCW-VIFPVBQESA-N -1 1 360.760 2.394 20 0 FEADMM Cc1cccc(OCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810901881 674567418 /nfs/dbraw/zinc/56/74/18/674567418.db2.gz GJNNZQVWKNDKLD-ZDUSSCGKSA-N -1 1 358.360 2.291 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1)C(F)(F)F ZINC000810903935 674567776 /nfs/dbraw/zinc/56/77/76/674567776.db2.gz QJZXGOBJTLRQDR-NSHDSACASA-N -1 1 356.344 2.248 20 0 FEADMM O=C(COc1ccsc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810905272 674567930 /nfs/dbraw/zinc/56/79/30/674567930.db2.gz SKZIICDFYPMHPC-JTQLQIEISA-N -1 1 350.362 2.044 20 0 FEADMM O=C([N-]C[C@H]1CCCN(Cn2sc3ccccc3c2=O)C1)C(F)(F)F ZINC000811785913 674627770 /nfs/dbraw/zinc/62/77/70/674627770.db2.gz KCYHCRSKGSOUJR-LLVKDONJSA-N -1 1 373.400 2.411 20 0 FEADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000811835887 674632495 /nfs/dbraw/zinc/63/24/95/674632495.db2.gz SFYUHWKFFWAVMO-UHFFFAOYSA-N -1 1 353.787 2.289 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000811835173 674632618 /nfs/dbraw/zinc/63/26/18/674632618.db2.gz OGMRBTVWRFJCBK-CSKARUKUSA-N -1 1 350.371 2.232 20 0 FEADMM Cc1noc(C2CC2)c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274747 674660735 /nfs/dbraw/zinc/66/07/35/674660735.db2.gz KSQDLFYVOOYXTQ-SNVBAGLBSA-N -1 1 359.348 2.391 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cnn1C(C)C ZINC000812275195 674661059 /nfs/dbraw/zinc/66/10/59/674661059.db2.gz GDIPBEBJXBUUME-GFCCVEGCSA-N -1 1 360.380 2.303 20 0 FEADMM Cc1nc(C2CC2)oc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812282203 674661966 /nfs/dbraw/zinc/66/19/66/674661966.db2.gz RICDDQJLLXQDLH-JTQLQIEISA-N -1 1 359.348 2.391 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C(\C)c2cccc(F)c2)c1 ZINC000812361356 674670212 /nfs/dbraw/zinc/67/02/12/674670212.db2.gz WCDGEOWZAYKAIN-DHZHZOJOSA-N -1 1 364.398 2.481 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2Cl)OC)co1 ZINC000812425177 674674647 /nfs/dbraw/zinc/67/46/47/674674647.db2.gz RKWGRZGEWGYPGN-UHFFFAOYSA-N -1 1 358.803 2.045 20 0 FEADMM C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(N)=O ZINC000562357826 674745464 /nfs/dbraw/zinc/74/54/64/674745464.db2.gz DLQUPBIVEIFZRU-SJCJKPOMSA-N -1 1 358.419 2.369 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)[C@@H]1CCCOC1 ZINC000814389196 674839260 /nfs/dbraw/zinc/83/92/60/674839260.db2.gz FCDBVDGHYLANHX-GARNVTTQSA-N -1 1 373.515 2.235 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC[C@@H](n3ccnn3)C2)c(Cl)c1 ZINC000563283121 674868671 /nfs/dbraw/zinc/86/86/71/674868671.db2.gz NDNSPWBFRJSUKT-CYBMUJFWSA-N -1 1 350.806 2.346 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000563399041 674882940 /nfs/dbraw/zinc/88/29/40/674882940.db2.gz UTKQSYXGPSVBGC-JSGCOSHPSA-N -1 1 365.817 2.438 20 0 FEADMM CCc1nc(SCc2csc(CS(C)(=O)=O)n2)[n-]c(=O)c1C ZINC000563440626 674889070 /nfs/dbraw/zinc/88/90/70/674889070.db2.gz UBQMIQOTGLQQEO-UHFFFAOYSA-N -1 1 359.498 2.346 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)s1 ZINC000563910616 674952919 /nfs/dbraw/zinc/95/29/19/674952919.db2.gz OKEGGNOMPBTITE-UHFFFAOYSA-N -1 1 351.413 2.087 20 0 FEADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)N=c2nc([C@@H](C)OC)[n-]s2)n[nH]1 ZINC000564374246 675003980 /nfs/dbraw/zinc/00/39/80/675003980.db2.gz XLZBLSSJNOUICZ-DJLDLDEBSA-N -1 1 353.452 2.182 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ncccc2C)o1 ZINC000564406097 675011205 /nfs/dbraw/zinc/01/12/05/675011205.db2.gz SKZJHUFOILSAMU-UHFFFAOYSA-N -1 1 352.412 2.026 20 0 FEADMM CC(C)(O)CO[N-]C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000816384617 675052447 /nfs/dbraw/zinc/05/24/47/675052447.db2.gz UZRUTVRCSPXPMJ-VIFPVBQESA-N -1 1 361.225 2.165 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000018707255 670027477 /nfs/dbraw/zinc/02/74/77/670027477.db2.gz OVMWZXMXOFNURL-UHFFFAOYSA-N -1 1 365.367 2.155 20 0 FEADMM CC(=O)COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021971184 670036715 /nfs/dbraw/zinc/03/67/15/670036715.db2.gz AOZRZVXLQPYMKK-UHFFFAOYSA-N -1 1 365.382 2.301 20 0 FEADMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000026542364 670071392 /nfs/dbraw/zinc/07/13/92/670071392.db2.gz FWYDMOJGFNAZDT-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccco1 ZINC000564925190 675078432 /nfs/dbraw/zinc/07/84/32/675078432.db2.gz KOISSXTWNKMWSN-RBSFLKMASA-N -1 1 351.447 2.415 20 0 FEADMM C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801847 670195538 /nfs/dbraw/zinc/19/55/38/670195538.db2.gz XGNGIVMISZYWLK-ZDUSSCGKSA-N -1 1 369.487 2.292 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000045550672 670205340 /nfs/dbraw/zinc/20/53/40/670205340.db2.gz GFGOHTIAPZQIPB-UHFFFAOYSA-N -1 1 360.222 2.475 20 0 FEADMM CCC(Nc1cccc(Br)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000048403521 670261587 /nfs/dbraw/zinc/26/15/87/670261587.db2.gz QXUFSWOWZBDRRS-UHFFFAOYSA-N -1 1 354.229 2.056 20 0 FEADMM CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1sccc1Br ZINC000049061205 670275593 /nfs/dbraw/zinc/27/55/93/670275593.db2.gz QJRXTZSHEOGOLW-QMMMGPOBSA-N -1 1 369.306 2.094 20 0 FEADMM CCCCNC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000052171940 670309975 /nfs/dbraw/zinc/30/99/75/670309975.db2.gz DULHEDUOAXYQED-CYBMUJFWSA-N -1 1 370.471 2.300 20 0 FEADMM CCCCC[C@@H](C)NC(CC)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000054503388 670337849 /nfs/dbraw/zinc/33/78/49/670337849.db2.gz QNZIXRHDFYOYJE-HUTFPVNGSA-N -1 1 355.504 2.099 20 0 FEADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000055133310 670347008 /nfs/dbraw/zinc/34/70/08/670347008.db2.gz NWGOZLUAAVBHFF-UHFFFAOYSA-N -1 1 359.769 2.116 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000055621001 670353243 /nfs/dbraw/zinc/35/32/43/670353243.db2.gz ZNBGGQUKZNGNSG-UHFFFAOYSA-N -1 1 360.391 2.485 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000060554474 670386525 /nfs/dbraw/zinc/38/65/25/670386525.db2.gz NMXXAJTWTNJDOL-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM Cn1cc(-c2cncc(C(=O)NCc3n[n-]c(=S)n3C3CC3)c2)cn1 ZINC000066638374 670445664 /nfs/dbraw/zinc/44/56/64/670445664.db2.gz ZWPUCPDCISGLHV-UHFFFAOYSA-N -1 1 355.427 2.001 20 0 FEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000074294829 670517783 /nfs/dbraw/zinc/51/77/83/670517783.db2.gz QJCDARNVHHYVFC-ABAIWWIYSA-N -1 1 354.435 2.273 20 0 FEADMM C[C@@H]1CCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000565361648 675114949 /nfs/dbraw/zinc/11/49/49/675114949.db2.gz WBQSFURQALOPHA-DOMZBBRYSA-N -1 1 351.422 2.140 20 0 FEADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000569394869 670553227 /nfs/dbraw/zinc/55/32/27/670553227.db2.gz UEBBNYJHGUNPQV-SSDOTTSWSA-N -1 1 368.365 2.338 20 0 FEADMM CCCCNC(=O)CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817292458 675118200 /nfs/dbraw/zinc/11/82/00/675118200.db2.gz ZTSCMBJDIUBZHL-ZDUSSCGKSA-N -1 1 357.376 2.013 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1S(N)(=O)=O ZINC000078635555 670590761 /nfs/dbraw/zinc/59/07/61/670590761.db2.gz GBOVFACVIDKHKH-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM COC(=O)[C@@H]1CCc2sc(NC([O-])=NO[C@@H]3CCCCO3)nc2C1 ZINC000817321203 675121987 /nfs/dbraw/zinc/12/19/87/675121987.db2.gz SLKUKXXFOBEFCI-BXKDBHETSA-N -1 1 355.416 2.001 20 0 FEADMM COC(=O)[C@@H]1CCc2sc(NC(=O)[N-]O[C@@H]3CCCCO3)nc2C1 ZINC000817321203 675121988 /nfs/dbraw/zinc/12/19/88/675121988.db2.gz SLKUKXXFOBEFCI-BXKDBHETSA-N -1 1 355.416 2.001 20 0 FEADMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC000080076235 670615656 /nfs/dbraw/zinc/61/56/56/670615656.db2.gz YGNCYUSAMHJHCF-WCQYABFASA-N -1 1 360.487 2.195 20 0 FEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1nc(-c2ccccc2)cs1 ZINC000080108129 670616600 /nfs/dbraw/zinc/61/66/00/670616600.db2.gz AXSQHQFZLGNISY-SKDRFNHKSA-N -1 1 360.464 2.334 20 0 FEADMM CC(C)(CNC(=O)Cc1sc(N)nc1[O-])c1ccc(F)cc1Cl ZINC000080275792 670620136 /nfs/dbraw/zinc/62/01/36/670620136.db2.gz QPRBEWMAMACKIA-NSHDSACASA-N -1 1 357.838 2.220 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(-n2cccc2)nc1 ZINC000084600878 670672413 /nfs/dbraw/zinc/67/24/13/670672413.db2.gz HTWKSQGHIMMXHN-UHFFFAOYSA-N -1 1 354.439 2.434 20 0 FEADMM CCOCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493888 675139222 /nfs/dbraw/zinc/13/92/22/675139222.db2.gz WYTUVGOTYFJPCU-CYBMUJFWSA-N -1 1 358.360 2.440 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000565744281 675147948 /nfs/dbraw/zinc/14/79/48/675147948.db2.gz PUWYCYNGKXUZSO-UHFFFAOYSA-N -1 1 359.810 2.524 20 0 FEADMM C[C@H]1CCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000571512306 670884370 /nfs/dbraw/zinc/88/43/70/670884370.db2.gz RNNHGCKYORTPJR-JTQLQIEISA-N -1 1 352.378 2.031 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2[C@H](C)C[C@@H]2C)c(F)c1 ZINC000565757037 675148921 /nfs/dbraw/zinc/14/89/21/675148921.db2.gz WLOFPFSWNCRJIN-PHIMTYICSA-N -1 1 364.464 2.149 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000115463718 670897435 /nfs/dbraw/zinc/89/74/35/670897435.db2.gz OMKROHPUXIIYDQ-UHFFFAOYSA-N -1 1 362.455 2.374 20 0 FEADMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000115577915 670897934 /nfs/dbraw/zinc/89/79/34/670897934.db2.gz LUDIOHYLAPBREG-SSDOTTSWSA-N -1 1 368.224 2.452 20 0 FEADMM CCc1nnc([C@@H](C)S(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)o1 ZINC000572231097 670976122 /nfs/dbraw/zinc/97/61/22/670976122.db2.gz NNDZFTQYNKFFAC-MRVPVSSYSA-N -1 1 351.363 2.091 20 0 FEADMM CCc1nnc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)o1 ZINC000572231097 670976123 /nfs/dbraw/zinc/97/61/23/670976123.db2.gz NNDZFTQYNKFFAC-MRVPVSSYSA-N -1 1 351.363 2.091 20 0 FEADMM CC(=O)CCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817675086 675160172 /nfs/dbraw/zinc/16/01/72/675160172.db2.gz LKCYWOVTIWHPDB-ZDUSSCGKSA-N -1 1 356.344 2.382 20 0 FEADMM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000572829023 671049350 /nfs/dbraw/zinc/04/93/50/671049350.db2.gz MIMKCFDQSCQMBA-UHFFFAOYSA-N -1 1 368.480 2.484 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(=O)[nH][nH]c3=O)cc2)cc1 ZINC000572921920 671059883 /nfs/dbraw/zinc/05/98/83/671059883.db2.gz KMZLLXXMMLRLPV-UHFFFAOYSA-N -1 1 360.395 2.042 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCSC1)C(F)(F)F ZINC000817777882 675176824 /nfs/dbraw/zinc/17/68/24/675176824.db2.gz LNUDSOCUAONZQG-RYUDHWBXSA-N -1 1 373.400 2.311 20 0 FEADMM CCc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)[n-]c(=O)c1C ZINC000574415030 671237562 /nfs/dbraw/zinc/23/75/62/671237562.db2.gz XNKDYSYYNHCAJJ-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM Cc1c(=O)[n-]c(SCCN2C(=O)N[C@H](C)C2=O)nc1-c1ccccc1 ZINC000574781135 671276456 /nfs/dbraw/zinc/27/64/56/671276456.db2.gz DILSVFOCXFEAHK-LLVKDONJSA-N -1 1 358.423 2.190 20 0 FEADMM O=S(=O)(Cc1nnc(C2CC2)s1)c1nc(Cc2ccccc2)n[n-]1 ZINC000574883051 671283613 /nfs/dbraw/zinc/28/36/13/671283613.db2.gz PTRYYPOHQJMUJM-UHFFFAOYSA-N -1 1 361.452 2.098 20 0 FEADMM O=S(=O)(Cc1nnc(C2CC2)s1)c1nnc(Cc2ccccc2)[n-]1 ZINC000574883051 671283616 /nfs/dbraw/zinc/28/36/16/671283616.db2.gz PTRYYPOHQJMUJM-UHFFFAOYSA-N -1 1 361.452 2.098 20 0 FEADMM O=S(=O)(Cc1nnc(C2CC2)s1)c1n[n-]c(Cc2ccccc2)n1 ZINC000574883051 671283618 /nfs/dbraw/zinc/28/36/18/671283618.db2.gz PTRYYPOHQJMUJM-UHFFFAOYSA-N -1 1 361.452 2.098 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000576093508 671343386 /nfs/dbraw/zinc/34/33/86/671343386.db2.gz OLCDHMQFQKUDAU-CQSZACIVSA-N -1 1 351.428 2.477 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl)C1CC1 ZINC000566212026 675194143 /nfs/dbraw/zinc/19/41/43/675194143.db2.gz RUKZMIMXZKQNSH-CQSZACIVSA-N -1 1 360.863 2.209 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC(C)C)c(C)c1)C1CC1 ZINC000576464510 671370852 /nfs/dbraw/zinc/37/08/52/671370852.db2.gz KLCPLTHNQCJXND-INIZCTEOSA-N -1 1 354.472 2.300 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NCCOc1ccccc1 ZINC000576987247 671408994 /nfs/dbraw/zinc/40/89/94/671408994.db2.gz LFFRVYNWYSFVKS-UHFFFAOYSA-N -1 1 355.366 2.407 20 0 FEADMM CCc1nc(SCCN2C(=O)NC3(CCCC3)C2=O)[n-]c(=O)c1C ZINC000577232194 671426042 /nfs/dbraw/zinc/42/60/42/671426042.db2.gz XXQPZXNPFFVEBG-UHFFFAOYSA-N -1 1 350.444 2.010 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000609796066 675936336 /nfs/dbraw/zinc/93/63/36/675936336.db2.gz KYCNYTKNKOBZSP-HSZRJFAPSA-N -1 1 367.448 2.402 20 0 FEADMM COCc1ccccc1CS(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000580003422 671776163 /nfs/dbraw/zinc/77/61/63/671776163.db2.gz UYQXFHFDHTWORT-UHFFFAOYSA-N -1 1 358.423 2.356 20 0 FEADMM CCO[C@@H](CC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C ZINC000580169181 671787693 /nfs/dbraw/zinc/78/76/93/671787693.db2.gz CFJKIUGUWDKMNS-JTQLQIEISA-N -1 1 357.398 2.168 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC000580491550 671811978 /nfs/dbraw/zinc/81/19/78/671811978.db2.gz OFGNUILUVZWMIP-LNSITVRQSA-N -1 1 374.865 2.404 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(F)F ZINC000581292039 671881869 /nfs/dbraw/zinc/88/18/69/671881869.db2.gz OSFRBSHUVGJSOQ-UONOGXRCSA-N -1 1 360.426 2.254 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)s1 ZINC000120937538 671938654 /nfs/dbraw/zinc/93/86/54/671938654.db2.gz FNEFBTDDGDJRHE-NSHDSACASA-N -1 1 364.427 2.158 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc(Cl)c1[O-] ZINC000582285366 671985480 /nfs/dbraw/zinc/98/54/80/671985480.db2.gz RAHSQQRCHIKZAQ-WCQYABFASA-N -1 1 352.818 2.328 20 0 FEADMM Cc1c(NC(=O)Cc2sc(N)nc2[O-])cnn1-c1cc(C)ccc1C ZINC000125674203 672015138 /nfs/dbraw/zinc/01/51/38/672015138.db2.gz LKWILVZZSKYARG-CQSZACIVSA-N -1 1 357.439 2.083 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCOc1cccc(C(C)(C)C)c1 ZINC000582992592 672052566 /nfs/dbraw/zinc/05/25/66/672052566.db2.gz HJCOPHVKIAVIHI-UHFFFAOYSA-N -1 1 353.444 2.220 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(C(=O)c1c(C)[n-]c(=O)nc1SC)C2 ZINC000610472910 675974013 /nfs/dbraw/zinc/97/40/13/675974013.db2.gz LGWKHLHWYPFYSS-UHFFFAOYSA-N -1 1 359.407 2.155 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCCc2cccc(-c3ccccc3)c2)s1 ZINC000132816295 672102144 /nfs/dbraw/zinc/10/21/44/672102144.db2.gz HFOADTZDKPOGSY-MRXNPFEDSA-N -1 1 353.447 2.359 20 0 FEADMM CCCOc1cccc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000135544072 672134281 /nfs/dbraw/zinc/13/42/81/672134281.db2.gz GOMKLDAIACDCAH-UHFFFAOYSA-N -1 1 357.863 2.383 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000584080154 672153797 /nfs/dbraw/zinc/15/37/97/672153797.db2.gz PQLJRUBCBAFOOE-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(-n2cnnc2)cc1 ZINC000156385345 672245902 /nfs/dbraw/zinc/24/59/02/672245902.db2.gz WMZMKPWYJWHUKV-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000181330803 672425272 /nfs/dbraw/zinc/42/52/72/672425272.db2.gz ZUWVFCVKMBEWSP-UHFFFAOYSA-N -1 1 351.340 2.487 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000181732395 672430349 /nfs/dbraw/zinc/43/03/49/672430349.db2.gz SUKPMWYCJJCXNR-LBPRGKRZSA-N -1 1 362.821 2.044 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(Br)c(C)c2)n[nH]1 ZINC000182750573 672452936 /nfs/dbraw/zinc/45/29/36/672452936.db2.gz GZYPMEQKMQBSNT-UHFFFAOYSA-N -1 1 352.192 2.256 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCOc2ccccc2F)c(F)c1 ZINC000588674440 672470396 /nfs/dbraw/zinc/47/03/96/672470396.db2.gz IPYKXSJOAQWWBX-UHFFFAOYSA-N -1 1 361.341 2.470 20 0 FEADMM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1C ZINC000589624837 672535971 /nfs/dbraw/zinc/53/59/71/672535971.db2.gz NFHLLHYBKTYPBO-UHFFFAOYSA-N -1 1 359.398 2.285 20 0 FEADMM COc1ccccc1C(=O)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000186098844 672541167 /nfs/dbraw/zinc/54/11/67/672541167.db2.gz NXMIEIFCLJCRCU-UHFFFAOYSA-N -1 1 350.733 2.132 20 0 FEADMM CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OC ZINC000186124564 672541614 /nfs/dbraw/zinc/54/16/14/672541614.db2.gz NWDIEYUIWPCMMO-QMMMGPOBSA-N -1 1 355.243 2.399 20 0 FEADMM O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1ccc2c(c1)COC2 ZINC000589937850 672549441 /nfs/dbraw/zinc/54/94/41/672549441.db2.gz GGPZLTWULKZAQH-UHFFFAOYSA-N -1 1 356.407 2.157 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000680654554 672596718 /nfs/dbraw/zinc/59/67/18/672596718.db2.gz QSHWJQZOJNPNHY-ZDUSSCGKSA-N -1 1 372.874 2.109 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000680654554 672596722 /nfs/dbraw/zinc/59/67/22/672596722.db2.gz QSHWJQZOJNPNHY-ZDUSSCGKSA-N -1 1 372.874 2.109 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccn1 ZINC000611464774 676038709 /nfs/dbraw/zinc/03/87/09/676038709.db2.gz BAFCPPOAUTWRJU-CYBMUJFWSA-N -1 1 354.284 2.450 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000611479677 676039412 /nfs/dbraw/zinc/03/94/12/676039412.db2.gz XOZRYKDZZZEYQJ-UHFFFAOYSA-N -1 1 370.427 2.051 20 0 FEADMM O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc([O-])c(F)c1 ZINC000681069493 672626728 /nfs/dbraw/zinc/62/67/28/672626728.db2.gz DTDAIJRGNQCHPH-UHFFFAOYSA-N -1 1 364.398 2.001 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(Cl)cc2-n2cccn2)n[nH]1 ZINC000189942105 672628025 /nfs/dbraw/zinc/62/80/25/672628025.db2.gz QCYDKDJQHCSVSX-UHFFFAOYSA-N -1 1 359.777 2.024 20 0 FEADMM CCOc1cc(C(=O)N[C@H](C)c2nnnn2C2CC2)cc(Cl)c1[O-] ZINC000190268331 672634730 /nfs/dbraw/zinc/63/47/30/672634730.db2.gz PZAUBGGBNCMRSP-MRVPVSSYSA-N -1 1 351.794 2.257 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N(CCN(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000193941573 672742385 /nfs/dbraw/zinc/74/23/85/672742385.db2.gz NUBOXUKVUYWFFN-UHFFFAOYSA-N -1 1 368.499 2.497 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](CO)Cc2cccc(C)c2)c(F)c1 ZINC000682418810 672754228 /nfs/dbraw/zinc/75/42/28/672754228.db2.gz HTAWYLFGUIJGGT-ZDUSSCGKSA-N -1 1 371.405 2.164 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1COCCN1C1CCCC1 ZINC000194319925 672756060 /nfs/dbraw/zinc/75/60/60/672756060.db2.gz XVMJSWIILPEHTL-LLVKDONJSA-N -1 1 370.247 2.132 20 0 FEADMM O=C(Cc1[nH]nc2c1CCCC2)Nc1nc(Br)ccc1[O-] ZINC000194574948 672762591 /nfs/dbraw/zinc/76/25/91/672762591.db2.gz VQUPURKFGFRBIC-UHFFFAOYSA-N -1 1 351.204 2.333 20 0 FEADMM C[C@H]1C[C@H](O)CN1c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000682619841 672779700 /nfs/dbraw/zinc/77/97/00/672779700.db2.gz MADKUGOQXDGOPI-JQWIXIFHSA-N -1 1 369.393 2.120 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c(F)cc1F ZINC000592351391 672790284 /nfs/dbraw/zinc/79/02/84/672790284.db2.gz PLXLUELDLQJMOP-CYBMUJFWSA-N -1 1 351.371 2.164 20 0 FEADMM Cc1cc(CS(=O)(=O)c2nnc(COc3ccc(Cl)cc3)[n-]2)on1 ZINC000683686119 672866706 /nfs/dbraw/zinc/86/67/06/672866706.db2.gz ILKVVRGYUSSLMU-UHFFFAOYSA-N -1 1 368.802 2.307 20 0 FEADMM Cc1cc(CS(=O)(=O)c2n[n-]c(COc3ccc(Cl)cc3)n2)on1 ZINC000683686119 672866711 /nfs/dbraw/zinc/86/67/11/672866711.db2.gz ILKVVRGYUSSLMU-UHFFFAOYSA-N -1 1 368.802 2.307 20 0 FEADMM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3nn4cnnc4s3)sc21 ZINC000684351664 672927662 /nfs/dbraw/zinc/92/76/62/672927662.db2.gz HLZHURLNJACBSC-UHFFFAOYSA-N -1 1 355.355 2.324 20 0 FEADMM CC(C)N(C)S(=O)(=O)[N-]c1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000268950537 672943196 /nfs/dbraw/zinc/94/31/96/672943196.db2.gz ICPGMRASIGFFTN-UHFFFAOYSA-N -1 1 363.365 2.283 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1csc(-c2ccccc2)n1 ZINC000685502002 673015769 /nfs/dbraw/zinc/01/57/69/673015769.db2.gz NQCXARZDVZUDAO-UHFFFAOYSA-N -1 1 364.452 2.210 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)C2CCCC2)c(Br)n1C ZINC000311533703 673027395 /nfs/dbraw/zinc/02/73/95/673027395.db2.gz RSBHOTURUQBRIJ-QMMMGPOBSA-N -1 1 350.282 2.348 20 0 FEADMM CC(C)(CO)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000685790601 673043851 /nfs/dbraw/zinc/04/38/51/673043851.db2.gz IVZQLTYKEJRWEI-UHFFFAOYSA-N -1 1 353.216 2.451 20 0 FEADMM CCOC(=O)Cc1csc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1 ZINC000326702982 673054566 /nfs/dbraw/zinc/05/45/66/673054566.db2.gz WMLVZOYLWFOUSB-UHFFFAOYSA-N -1 1 364.427 2.428 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000327739061 673061814 /nfs/dbraw/zinc/06/18/14/673061814.db2.gz FGUNJTJQKONCSG-UHFFFAOYSA-N -1 1 372.305 2.460 20 0 FEADMM O=C([O-])C1(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCSCC1 ZINC000707452292 673063567 /nfs/dbraw/zinc/06/35/67/673063567.db2.gz OYSCZQXVIYURCJ-INIZCTEOSA-N -1 1 362.495 2.365 20 0 FEADMM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000328881690 673068980 /nfs/dbraw/zinc/06/89/80/673068980.db2.gz WPJJEFQUJMEOPU-SSDOTTSWSA-N -1 1 367.283 2.248 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C1 ZINC000594463610 673076836 /nfs/dbraw/zinc/07/68/36/673076836.db2.gz IAGOHFORUAATAH-AOOOYVTPSA-N -1 1 365.810 2.112 20 0 FEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(OC)c2F)s1 ZINC000594469444 673078720 /nfs/dbraw/zinc/07/87/20/673078720.db2.gz XCFJWKPBJZXGFI-MRVPVSSYSA-N -1 1 374.415 2.117 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1F)Nc1ccc(F)c(F)c1 ZINC000725816858 673092087 /nfs/dbraw/zinc/09/20/87/673092087.db2.gz BRDNUWSRBKYZRQ-UHFFFAOYSA-N -1 1 362.304 2.160 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cncc(C(=O)OC(C)(C)C)c1)C1CC1 ZINC000594581818 673102286 /nfs/dbraw/zinc/10/22/86/673102286.db2.gz FOIGKKXBNHFKLN-AWEZNQCLSA-N -1 1 356.444 2.204 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cncc(C(=O)OC(C)(C)C)c1)C1CC1 ZINC000594581819 673102655 /nfs/dbraw/zinc/10/26/55/673102655.db2.gz FOIGKKXBNHFKLN-CQSZACIVSA-N -1 1 356.444 2.204 20 0 FEADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000726866235 673144147 /nfs/dbraw/zinc/14/41/47/673144147.db2.gz XZFOWASXEPYPPW-SNVBAGLBSA-N -1 1 370.236 2.453 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)s1 ZINC000594856871 673166271 /nfs/dbraw/zinc/16/62/71/673166271.db2.gz JUCZPNXPZWLURI-LBPRGKRZSA-N -1 1 369.411 2.257 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c1 ZINC000594865541 673170799 /nfs/dbraw/zinc/17/07/99/673170799.db2.gz UZACEUUTCICQFI-OLZOCXBDSA-N -1 1 371.455 2.471 20 0 FEADMM Cc1nc2c(Cl)cccc2c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000424465111 673204581 /nfs/dbraw/zinc/20/45/81/673204581.db2.gz FEOQFJPSKASENT-ZDUSSCGKSA-N -1 1 368.842 2.193 20 0 FEADMM CC(C)Sc1ccc([C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000728975553 673217321 /nfs/dbraw/zinc/21/73/21/673217321.db2.gz HQLMPHIOONWELG-CYBMUJFWSA-N -1 1 361.467 2.305 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)cc1C ZINC000595307543 673220390 /nfs/dbraw/zinc/22/03/90/673220390.db2.gz ZNJLGOXGBOPIFD-STQMWFEESA-N -1 1 353.371 2.348 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)cc1C ZINC000595320069 673223698 /nfs/dbraw/zinc/22/36/98/673223698.db2.gz AWKRTBJKSZLUHK-UHFFFAOYSA-N -1 1 352.412 2.026 20 0 FEADMM CCOC1(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])CCC1 ZINC000613207274 676117311 /nfs/dbraw/zinc/11/73/11/676117311.db2.gz OYKRAUAWHKVHST-UHFFFAOYSA-N -1 1 370.471 2.320 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@]1(c2ccccc2)CC1(C)C ZINC000595410955 673245804 /nfs/dbraw/zinc/24/58/04/673245804.db2.gz JSRCIMLQGKWWNU-KRWDZBQOSA-N -1 1 363.439 2.190 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)o1 ZINC000462707963 673277570 /nfs/dbraw/zinc/27/75/70/673277570.db2.gz WYTNCAOAAFQXBN-SNVBAGLBSA-N -1 1 373.814 2.465 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)o1 ZINC000462721591 673279257 /nfs/dbraw/zinc/27/92/57/673279257.db2.gz UBUAXUIYGCOGNP-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000613304043 676122600 /nfs/dbraw/zinc/12/26/00/676122600.db2.gz BSRLOOGPORAUMD-UHFFFAOYSA-N -1 1 354.208 2.457 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000472478321 673312681 /nfs/dbraw/zinc/31/26/81/673312681.db2.gz QAOUMGSDEOXAJN-UHFFFAOYSA-N -1 1 358.375 2.151 20 0 FEADMM C[C@@](CO)(C[N-]S(=O)(=O)c1cccc(F)c1F)Cc1ccccc1 ZINC000480838235 673319533 /nfs/dbraw/zinc/31/95/33/673319533.db2.gz BKILMHWTXURIFZ-KRWDZBQOSA-N -1 1 355.406 2.484 20 0 FEADMM CSC[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000731390374 673329366 /nfs/dbraw/zinc/32/93/66/673329366.db2.gz WPSXLOJMXPTQQG-SECBINFHSA-N -1 1 361.366 2.087 20 0 FEADMM Cn1cc(N2CC[C@@H](OC(=O)c3ccc(Cl)c(Cl)c3[O-])C2=O)cn1 ZINC000732342115 673364387 /nfs/dbraw/zinc/36/43/87/673364387.db2.gz RWUSJLRZUSZXAH-LLVKDONJSA-N -1 1 370.192 2.395 20 0 FEADMM CO[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCC1 ZINC000613554827 676133818 /nfs/dbraw/zinc/13/38/18/676133818.db2.gz KBTTZJSQGWQVHD-STQMWFEESA-N -1 1 353.785 2.013 20 0 FEADMM O=C(NC1=NCCS1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000732951964 673391125 /nfs/dbraw/zinc/39/11/25/673391125.db2.gz GRAURRSVUFIDHN-UHFFFAOYSA-N -1 1 352.213 2.123 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cn1 ZINC000537567394 673394538 /nfs/dbraw/zinc/39/45/38/673394538.db2.gz OYIYVXGAFVPVQA-LLVKDONJSA-N -1 1 357.398 2.175 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000733272708 673406309 /nfs/dbraw/zinc/40/63/09/673406309.db2.gz DBMSCRUUBYJBGC-GFCCVEGCSA-N -1 1 368.220 2.037 20 0 FEADMM CN1C(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3F)cc2C1=O ZINC000537872178 673412690 /nfs/dbraw/zinc/41/26/90/673412690.db2.gz AKUABDQPWJFEPH-UHFFFAOYSA-N -1 1 366.345 2.133 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1OC ZINC000538050941 673420250 /nfs/dbraw/zinc/42/02/50/673420250.db2.gz WLJLSEYXGWSYSF-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1c(Cl)nc2ccccn21 ZINC000733774787 673437302 /nfs/dbraw/zinc/43/73/02/673437302.db2.gz SRNHEWYHBFAPGB-UHFFFAOYSA-N -1 1 374.813 2.369 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCc3ccc(O)cc3C2)c(=O)[n-]1 ZINC000613692413 676141547 /nfs/dbraw/zinc/14/15/47/676141547.db2.gz CUEZIUAZLXCYFJ-UHFFFAOYSA-N -1 1 359.451 2.436 20 0 FEADMM CCn1c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc2ccccc21 ZINC000538951115 673468162 /nfs/dbraw/zinc/46/81/62/673468162.db2.gz DWNBRKWMSVZXSI-UHFFFAOYSA-N -1 1 359.407 2.267 20 0 FEADMM CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000539398939 673488480 /nfs/dbraw/zinc/48/84/80/673488480.db2.gz BEHAQMFSWXKGNH-UHFFFAOYSA-N -1 1 365.407 2.403 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)c1Cl ZINC000735502051 673495155 /nfs/dbraw/zinc/49/51/55/673495155.db2.gz CNWPIGILWFXSQS-UHFFFAOYSA-N -1 1 363.867 2.006 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@]23CCC(=O)N2CCS3)c1 ZINC000539799952 673506949 /nfs/dbraw/zinc/50/69/49/673506949.db2.gz NFXPPVNJOLDHFU-AWEZNQCLSA-N -1 1 371.256 2.467 20 0 FEADMM CC(C)c1ncc2c(n1)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000735942003 673508751 /nfs/dbraw/zinc/50/87/51/673508751.db2.gz ABFPWPMXEITRQI-UHFFFAOYSA-N -1 1 356.821 2.391 20 0 FEADMM CC(C)c1ncc2c(n1)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000735942003 673508752 /nfs/dbraw/zinc/50/87/52/673508752.db2.gz ABFPWPMXEITRQI-UHFFFAOYSA-N -1 1 356.821 2.391 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CNc1cccc(F)c1 ZINC000540253495 673531735 /nfs/dbraw/zinc/53/17/35/673531735.db2.gz UPWLZXNDNWIEQG-UHFFFAOYSA-N -1 1 355.366 2.387 20 0 FEADMM CCc1nc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])co1 ZINC000542511830 673587781 /nfs/dbraw/zinc/58/77/81/673587781.db2.gz WSYROUSLWMPABV-UHFFFAOYSA-N -1 1 367.427 2.225 20 0 FEADMM COCc1nsc(N=C([O-])[C@H](C(=O)OC(C)(C)C)C2CCCC2)n1 ZINC000598694811 673599115 /nfs/dbraw/zinc/59/91/15/673599115.db2.gz JOKSFTCYZQTJDQ-GFCCVEGCSA-N -1 1 355.460 2.193 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000542731145 673600209 /nfs/dbraw/zinc/60/02/09/673600209.db2.gz DEEKBEKZVRQSER-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(Br)cn1 ZINC000742277760 673718010 /nfs/dbraw/zinc/71/80/10/673718010.db2.gz AHWFAUBZTXCUAQ-UHFFFAOYSA-N -1 1 365.196 2.375 20 0 FEADMM CS[C@@H]1CC[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000742737385 673736155 /nfs/dbraw/zinc/73/61/55/673736155.db2.gz AWIHXHCAVSXFNK-ZIAGYGMSSA-N -1 1 358.467 2.083 20 0 FEADMM COc1cc(C(=O)N2CCC(C3N=NC(=O)O3)CC2)cc(Cl)c1[O-] ZINC000614473865 676177093 /nfs/dbraw/zinc/17/70/93/676177093.db2.gz MTSZQFHFVWNGEE-UHFFFAOYSA-N -1 1 353.762 2.163 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000545124435 673746001 /nfs/dbraw/zinc/74/60/01/673746001.db2.gz PLSNCGIWIFLNRD-UHFFFAOYSA-N -1 1 361.370 2.482 20 0 FEADMM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1ccc(Br)o1 ZINC000545363506 673763132 /nfs/dbraw/zinc/76/31/32/673763132.db2.gz KYEOFZNRSCHKHT-GFCCVEGCSA-N -1 1 374.256 2.487 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CCCCS2(=O)=O)cc(Cl)c1[O-] ZINC000545850487 673777717 /nfs/dbraw/zinc/77/77/17/673777717.db2.gz OOMGDWJSQPTAQR-LLVKDONJSA-N -1 1 361.847 2.141 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)o1 ZINC000545917936 673783136 /nfs/dbraw/zinc/78/31/36/673783136.db2.gz PUEWJOJJDFOSRW-UHFFFAOYSA-N -1 1 365.407 2.092 20 0 FEADMM CCc1cc(CNC(=O)c2ccc(I)c([O-])c2)on1 ZINC000546200207 673796943 /nfs/dbraw/zinc/79/69/43/673796943.db2.gz ANWUTCBNEHALNY-UHFFFAOYSA-N -1 1 372.162 2.477 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc([C@@H]3CCOc4ccccc43)no2)o1 ZINC000546396317 673799700 /nfs/dbraw/zinc/79/97/00/673799700.db2.gz PHMNDJPTPWBUMN-LLVKDONJSA-N -1 1 361.379 2.152 20 0 FEADMM CCc1noc([C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000744718061 673808391 /nfs/dbraw/zinc/80/83/91/673808391.db2.gz AJPKAIYYOHEBLF-SECBINFHSA-N -1 1 371.415 2.220 20 0 FEADMM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000546855479 673823353 /nfs/dbraw/zinc/82/33/53/673823353.db2.gz NDPTXFKYOQTQNH-UHFFFAOYSA-N -1 1 351.288 2.165 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc4c(n3)CCCC4)no2)co1 ZINC000547185475 673835015 /nfs/dbraw/zinc/83/50/15/673835015.db2.gz YSTZFAHZDBWVQH-UHFFFAOYSA-N -1 1 360.395 2.179 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@H]1CCC1(F)F)(C(=O)OC)c1ccccc1 ZINC000601340821 673844865 /nfs/dbraw/zinc/84/48/65/673844865.db2.gz XJVIYHZAOWITGO-UKRRQHHQSA-N -1 1 361.410 2.430 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000601377692 673851799 /nfs/dbraw/zinc/85/17/99/673851799.db2.gz IPGOEWBGYQFHTC-BSNNYGBQSA-N -1 1 369.464 2.178 20 0 FEADMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601387460 673853438 /nfs/dbraw/zinc/85/34/38/673853438.db2.gz YASFLEZBCHQFIN-NEPJUHHUSA-N -1 1 371.446 2.088 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1N(C)C ZINC000547541560 673860612 /nfs/dbraw/zinc/86/06/12/673860612.db2.gz SUYPATXJHHPKPT-UHFFFAOYSA-N -1 1 350.396 2.266 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2([C@@H]3CCCCO3)CCC2)o1 ZINC000601517540 673875778 /nfs/dbraw/zinc/87/57/78/673875778.db2.gz MADGUDJEGKRCLV-AWEZNQCLSA-N -1 1 371.455 2.474 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)o1 ZINC000601521463 673876756 /nfs/dbraw/zinc/87/67/56/673876756.db2.gz ZSKGJXZYRPPYRJ-CYBMUJFWSA-N -1 1 357.428 2.084 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000601521409 673876901 /nfs/dbraw/zinc/87/69/01/673876901.db2.gz YCLQQRAUAHTKJE-CYBMUJFWSA-N -1 1 357.428 2.084 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@@H](COCC2CC2)C1 ZINC000548254031 673943219 /nfs/dbraw/zinc/94/32/19/673943219.db2.gz VFVZRZRFYGDXJE-CYBMUJFWSA-N -1 1 370.243 2.422 20 0 FEADMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)Cc1ccccc1Br ZINC000566566722 675225197 /nfs/dbraw/zinc/22/51/97/675225197.db2.gz NIQRBYKOIZLIDE-UHFFFAOYSA-N -1 1 364.261 2.210 20 0 FEADMM C[C@H](O)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000566936631 675254135 /nfs/dbraw/zinc/25/41/35/675254135.db2.gz SKSBCXJWFJVMDH-KBPBESRZSA-N -1 1 362.451 2.377 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1 ZINC000819883443 675318639 /nfs/dbraw/zinc/31/86/39/675318639.db2.gz XFEDJJCNXDWHNC-SNVBAGLBSA-N -1 1 364.414 2.465 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1nc2ccccc2s1 ZINC000567769939 675320462 /nfs/dbraw/zinc/32/04/62/675320462.db2.gz UBQMUDXKUQNHHF-LLVKDONJSA-N -1 1 352.437 2.019 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@]1(Cc2cccc(Cl)c2)CCOC1)c1nn[n-]n1 ZINC000568198395 675357892 /nfs/dbraw/zinc/35/78/92/675357892.db2.gz KKHXHNJHNPWERQ-SJKOYZFVSA-N -1 1 363.849 2.064 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)o1 ZINC000568593594 675385110 /nfs/dbraw/zinc/38/51/10/675385110.db2.gz JQJRSJHTEZUHAU-UHFFFAOYSA-N -1 1 356.375 2.031 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000820762756 675386055 /nfs/dbraw/zinc/38/60/55/675386055.db2.gz RJJKQQNEBPOTPX-UHFFFAOYSA-N -1 1 356.391 2.302 20 0 FEADMM COc1ccc2c(c1)N(S(=O)(=O)c1cc(OC)ccc1[O-])C[C@@H](C)O2 ZINC000568861800 675406273 /nfs/dbraw/zinc/40/62/73/675406273.db2.gz VWYFULCMPWAJIZ-LLVKDONJSA-N -1 1 365.407 2.386 20 0 FEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000821163104 675418898 /nfs/dbraw/zinc/41/88/98/675418898.db2.gz GAJNQFMEQKCXII-CQSZACIVSA-N -1 1 353.396 2.267 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)c1 ZINC000821358075 675429816 /nfs/dbraw/zinc/42/98/16/675429816.db2.gz GFJAJDPDULONLG-SXBQZSJRSA-N -1 1 369.483 2.380 20 0 FEADMM Cc1nc(C2(NC(=O)c3ccc(-c4nnn[n-]4)s3)CCCCC2)no1 ZINC000822431978 675484243 /nfs/dbraw/zinc/48/42/43/675484243.db2.gz RPXSEMOAMKDDCH-UHFFFAOYSA-N -1 1 359.415 2.209 20 0 FEADMM Cc1nc(C2(NC(=O)c3ccc(-c4nn[n-]n4)s3)CCCCC2)no1 ZINC000822431978 675484244 /nfs/dbraw/zinc/48/42/44/675484244.db2.gz RPXSEMOAMKDDCH-UHFFFAOYSA-N -1 1 359.415 2.209 20 0 FEADMM O=C(CCc1nc(-c2ccsc2)no1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822987331 675521441 /nfs/dbraw/zinc/52/14/41/675521441.db2.gz VRPSXWHVVBUDBI-UHFFFAOYSA-N -1 1 374.411 2.006 20 0 FEADMM O=C(CCc1nc(-c2ccsc2)no1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822987331 675521444 /nfs/dbraw/zinc/52/14/44/675521444.db2.gz VRPSXWHVVBUDBI-UHFFFAOYSA-N -1 1 374.411 2.006 20 0 FEADMM O=C([C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000823191434 675535303 /nfs/dbraw/zinc/53/53/03/675535303.db2.gz OEKVPNQGGZCALX-QKCSRTOESA-N -1 1 365.796 2.086 20 0 FEADMM CSc1nc(CNC(=O)c2cc(C)c(Br)o2)cc(=O)[n-]1 ZINC000824610086 675613586 /nfs/dbraw/zinc/61/35/86/675613586.db2.gz GMDXXTSYDRJGNE-UHFFFAOYSA-N -1 1 358.217 2.498 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(F)cc2)n[n-]1 ZINC000824887060 675626642 /nfs/dbraw/zinc/62/66/42/675626642.db2.gz HCXWCPHQLFMUEL-ZJUUUORDSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(F)cc2)[n-]1 ZINC000824887060 675626643 /nfs/dbraw/zinc/62/66/43/675626643.db2.gz HCXWCPHQLFMUEL-ZJUUUORDSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(F)cc2)n1 ZINC000824887060 675626644 /nfs/dbraw/zinc/62/66/44/675626644.db2.gz HCXWCPHQLFMUEL-ZJUUUORDSA-N -1 1 366.418 2.479 20 0 FEADMM Clc1ccc(N2CCO[C@H](Cc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000826352026 675686607 /nfs/dbraw/zinc/68/66/07/675686607.db2.gz KCLMYYKJXCPEDY-CYBMUJFWSA-N -1 1 356.817 2.363 20 0 FEADMM Clc1ccc(N2CCO[C@H](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000826352026 675686611 /nfs/dbraw/zinc/68/66/11/675686611.db2.gz KCLMYYKJXCPEDY-CYBMUJFWSA-N -1 1 356.817 2.363 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCOc1ccccc1C(F)(F)F ZINC000826501482 675689616 /nfs/dbraw/zinc/68/96/16/675689616.db2.gz SFVHRAWZAJIREZ-UHFFFAOYSA-N -1 1 351.288 2.126 20 0 FEADMM Cc1cccc(C(=O)C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000826685077 675700224 /nfs/dbraw/zinc/70/02/24/675700224.db2.gz AWEXXYLESJEAAC-YPMHNXCESA-N -1 1 356.344 2.093 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F)C(C)C ZINC000827194371 675738615 /nfs/dbraw/zinc/73/86/15/675738615.db2.gz KVOXRTHUGJVHKA-KGLIPLIRSA-N -1 1 369.405 2.027 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(C(C)=O)s1 ZINC000605380823 675812351 /nfs/dbraw/zinc/81/23/51/675812351.db2.gz NLYSPAVTYHSPDW-UHFFFAOYSA-N -1 1 353.425 2.360 20 0 FEADMM C[C@H]1Cc2cc(C(=O)Nc3c([O-])cccc3F)ccc2N1S(C)(=O)=O ZINC000605439538 675815093 /nfs/dbraw/zinc/81/50/93/675815093.db2.gz IQZMHGYDUVBYGR-JTQLQIEISA-N -1 1 364.398 2.494 20 0 FEADMM CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000605440671 675815266 /nfs/dbraw/zinc/81/52/66/675815266.db2.gz YKFWBWKITUUXHV-UHFFFAOYSA-N -1 1 352.387 2.390 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(C)c2)ccc1C ZINC000605494756 675816183 /nfs/dbraw/zinc/81/61/83/675816183.db2.gz BIGWSFXSQCLHKY-UHFFFAOYSA-N -1 1 361.423 2.162 20 0 FEADMM O=C(Cc1ccccc1Br)NC1(c2nn[n-]n2)CCCC1 ZINC000605531563 675817956 /nfs/dbraw/zinc/81/79/56/675817956.db2.gz AOCCXMIGVJQZPB-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM CC1=C(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C(=O)OC1(C)C ZINC000828744119 675841184 /nfs/dbraw/zinc/84/11/84/675841184.db2.gz NFFSZBXJHORJBS-UHFFFAOYSA-N -1 1 362.773 2.421 20 0 FEADMM CC1=C(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C(=O)OC1(C)C ZINC000828744119 675841187 /nfs/dbraw/zinc/84/11/87/675841187.db2.gz NFFSZBXJHORJBS-UHFFFAOYSA-N -1 1 362.773 2.421 20 0 FEADMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000607031334 675850395 /nfs/dbraw/zinc/85/03/95/675850395.db2.gz PLNIBGGYQKMLKX-UHFFFAOYSA-N -1 1 355.419 2.324 20 0 FEADMM O=C(CSc1n[n-]c(=S)s1)N1CCc2nc[nH]c2C12CCC2 ZINC000829079924 675863350 /nfs/dbraw/zinc/86/33/50/675863350.db2.gz VKCGWAOOVCBUAZ-UHFFFAOYSA-N -1 1 353.498 2.106 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)o1 ZINC000615897842 676233093 /nfs/dbraw/zinc/23/30/93/676233093.db2.gz CGNOIHSJAUWYSV-GFCCVEGCSA-N -1 1 366.443 2.057 20 0 FEADMM CSC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000616170205 676241369 /nfs/dbraw/zinc/24/13/69/676241369.db2.gz CAAGMJNOULTGQK-UHFFFAOYSA-N -1 1 356.469 2.011 20 0 FEADMM COc1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)cc(Cl)c1[O-] ZINC000617528793 676290900 /nfs/dbraw/zinc/29/09/00/676290900.db2.gz ZDBOABCXPDCYTG-VHRBIJSZSA-N -1 1 357.834 2.350 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2F)C(C)C)o1 ZINC000617991407 676315199 /nfs/dbraw/zinc/31/51/99/676315199.db2.gz DPKBBDCJHAAOCZ-HNNXBMFYSA-N -1 1 354.403 2.454 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc(Cl)c1[O-] ZINC000618310528 676330476 /nfs/dbraw/zinc/33/04/76/676330476.db2.gz UCNCAMKEKYTJDN-ONGXEEELSA-N -1 1 361.847 2.140 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CCCC1 ZINC000620172267 676409179 /nfs/dbraw/zinc/40/91/79/676409179.db2.gz YPWGIRWMTUWONR-AWEZNQCLSA-N -1 1 372.487 2.291 20 0 FEADMM CCOc1cc(C(=O)Nc2ccnc(OCCO)c2)cc(Cl)c1[O-] ZINC000620641286 676423822 /nfs/dbraw/zinc/42/38/22/676423822.db2.gz DCEVQKGODNFBJU-UHFFFAOYSA-N -1 1 352.774 2.463 20 0 FEADMM COc1ncccc1CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000621994160 676484462 /nfs/dbraw/zinc/48/44/62/676484462.db2.gz IORNMKMWHVTOKP-UHFFFAOYSA-N -1 1 350.444 2.305 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(Cl)c1 ZINC000622112441 676491662 /nfs/dbraw/zinc/49/16/62/676491662.db2.gz UDIVEUAOGWYWJU-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000622612371 676502891 /nfs/dbraw/zinc/50/28/91/676502891.db2.gz VKQBEPCHUVCJQO-GJZGRUSLSA-N -1 1 355.785 2.062 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc2c(c(Cl)c1)OCO2 ZINC000622612643 676502981 /nfs/dbraw/zinc/50/29/81/676502981.db2.gz FJMPHESPWCHZGQ-ZDUSSCGKSA-N -1 1 357.757 2.101 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc(Cl)ccc3OC(C)C)nc2n1 ZINC000622872075 676509146 /nfs/dbraw/zinc/50/91/46/676509146.db2.gz UQNVASNTTNDVCN-UHFFFAOYSA-N -1 1 361.789 2.419 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](CC)Sc3ccccc3)nc2n1 ZINC000622994182 676514486 /nfs/dbraw/zinc/51/44/86/676514486.db2.gz GRRFIIRFHFHSJF-CYBMUJFWSA-N -1 1 357.439 2.489 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)nc2n1 ZINC000622993305 676514591 /nfs/dbraw/zinc/51/45/91/676514591.db2.gz IMOKMZGNZWQLET-QWHCGFSZSA-N -1 1 357.801 2.376 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCc4c3cccc4Cl)nc2n1 ZINC000622994282 676514602 /nfs/dbraw/zinc/51/46/02/676514602.db2.gz JJWTWGWRBQFCIJ-GFCCVEGCSA-N -1 1 357.801 2.302 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)nc2n1 ZINC000622994993 676514706 /nfs/dbraw/zinc/51/47/06/676514706.db2.gz KTEQECPKMRFWKW-RKDXNWHRSA-N -1 1 357.336 2.287 20 0 FEADMM CC1(C)C[C@@H](S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CO1 ZINC000624979065 676607902 /nfs/dbraw/zinc/60/79/02/676607902.db2.gz JQGQSBRSCVIHIO-GFCCVEGCSA-N -1 1 371.846 2.377 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000625161861 676625322 /nfs/dbraw/zinc/62/53/22/676625322.db2.gz LKNNDYYGKYCPAY-CQSZACIVSA-N -1 1 369.418 2.110 20 0 FEADMM O=c1ccc([C@@H]2OCC[C@H]2[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c[nH]1 ZINC000625542217 676655074 /nfs/dbraw/zinc/65/50/74/676655074.db2.gz QDBSSONXHZVCDU-DOMZBBRYSA-N -1 1 374.340 2.013 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1C1CCC1 ZINC000625690714 676668469 /nfs/dbraw/zinc/66/84/69/676668469.db2.gz FIUADOYXUDJGHZ-QMMMGPOBSA-N -1 1 369.295 2.487 20 0 FEADMM COc1cc(Br)ccc1[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000625795002 676672843 /nfs/dbraw/zinc/67/28/43/676672843.db2.gz QBJGUVGKOVOKHD-GFCCVEGCSA-N -1 1 367.247 2.217 20 0 FEADMM CN(Cc1nnc2ccccn21)C(=O)c1ccc(Br)c([O-])c1 ZINC000677877081 679702045 /nfs/dbraw/zinc/70/20/45/679702045.db2.gz ICGGOMDBIJJCOR-UHFFFAOYSA-N -1 1 361.199 2.470 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(C2)CC(F)(F)C3)o1 ZINC000677923780 679704434 /nfs/dbraw/zinc/70/44/34/679704434.db2.gz XXLYMJIKVBLEHM-UHFFFAOYSA-N -1 1 362.398 2.228 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)s1 ZINC000677997269 679709054 /nfs/dbraw/zinc/70/90/54/679709054.db2.gz BWTKPERJEKLZAL-UHFFFAOYSA-N -1 1 365.440 2.395 20 0 FEADMM Cc1ccc(S(=O)(=O)N2CC[C@@H](Sc3ncc(C)c(=O)[n-]3)C2)cc1 ZINC000629179280 676834803 /nfs/dbraw/zinc/83/48/03/676834803.db2.gz AGFGOOVHPNHEKY-CYBMUJFWSA-N -1 1 365.480 2.354 20 0 FEADMM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)n1C ZINC000629290168 676841329 /nfs/dbraw/zinc/84/13/29/676841329.db2.gz WENARHMIACCMFK-CQSZACIVSA-N -1 1 361.427 2.257 20 0 FEADMM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000629351804 676850574 /nfs/dbraw/zinc/85/05/74/676850574.db2.gz GZVJALKHARTFJL-CQSZACIVSA-N -1 1 353.419 2.426 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1c(C)nn(C)c1N1CCC1)c1ccccc1 ZINC000629353401 676851143 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O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cn(Cc2cccs2)nn1 ZINC000636352529 677118275 /nfs/dbraw/zinc/11/82/75/677118275.db2.gz AEWZVLQXLXEYPV-NSHDSACASA-N -1 1 362.440 2.343 20 0 FEADMM C[C@@H]1COCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000866951038 684185535 /nfs/dbraw/zinc/18/55/35/684185535.db2.gz CNOLOAGRRCVHHW-VIFPVBQESA-N -1 1 361.179 2.105 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2CC[C@@](C)(O)C2)cc1 ZINC000641416803 677205270 /nfs/dbraw/zinc/20/52/70/677205270.db2.gz OREJIGPAGHKQGP-GOSISDBHSA-N -1 1 362.451 2.457 20 0 FEADMM C[C@]1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)CC1(F)F ZINC000641462254 677206895 /nfs/dbraw/zinc/20/68/95/677206895.db2.gz IJVQGDKTIALVHR-CYBMUJFWSA-N -1 1 361.345 2.340 20 0 FEADMM O=S(=O)([N-]c1cnn(CCF)c1)C1(COCc2ccccc2)CC1 ZINC000641694464 677214227 /nfs/dbraw/zinc/21/42/27/677214227.db2.gz DTRYGROYIGWRJW-UHFFFAOYSA-N -1 1 353.419 2.344 20 0 FEADMM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C(F)F)s1 ZINC000641703065 677214444 /nfs/dbraw/zinc/21/44/44/677214444.db2.gz 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CCN(CC)CCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000646039542 677277714 /nfs/dbraw/zinc/27/77/14/677277714.db2.gz SVCZTYXMSCDACK-KRWDZBQOSA-N -1 1 364.467 2.227 20 0 FEADMM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)[n-][nH]c2=O)ccc1C ZINC000646411385 677283974 /nfs/dbraw/zinc/28/39/74/677283974.db2.gz DTCHJOBQVNYHKS-UHFFFAOYSA-N -1 1 366.443 2.015 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cnc(OC)c(Cl)c2)cc1CO ZINC000647125465 677295538 /nfs/dbraw/zinc/29/55/38/677295538.db2.gz VTZPZAUUOANYID-UHFFFAOYSA-N -1 1 372.830 2.435 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1-n1nc(C)nc1C)C(C)C ZINC000647128403 677295781 /nfs/dbraw/zinc/29/57/81/677295781.db2.gz AMSLMJUYSUHKPI-MRXNPFEDSA-N -1 1 352.460 2.297 20 0 FEADMM COc1cc(F)c([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)cc1F ZINC000647129017 677295806 /nfs/dbraw/zinc/29/58/06/677295806.db2.gz ZKYOWUYRKCXZDY-HNNXBMFYSA-N -1 1 365.398 2.157 20 0 FEADMM O=C([O-])c1ccc(NCCN2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000647452038 677301486 /nfs/dbraw/zinc/30/14/86/677301486.db2.gz 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CSc1ccc(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000650793334 677389806 /nfs/dbraw/zinc/38/98/06/677389806.db2.gz YOEXMNDGAICNBF-NSHDSACASA-N -1 1 354.497 2.368 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC000651193851 677412767 /nfs/dbraw/zinc/41/27/67/677412767.db2.gz KAFWVRYDZCQTCN-UHFFFAOYSA-N -1 1 365.480 2.478 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cccc(NC(C)=O)c2)o1 ZINC000761092301 680710581 /nfs/dbraw/zinc/71/05/81/680710581.db2.gz WJEMKFVGPHLVSX-SNVBAGLBSA-N -1 1 366.395 2.064 20 0 FEADMM O=C([O-])CN(CC1CC1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000653326237 677524875 /nfs/dbraw/zinc/52/48/75/677524875.db2.gz YYMRSVZASNHJHM-UHFFFAOYSA-N -1 1 352.188 2.262 20 0 FEADMM CCOc1cc(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc(Cl)c1[O-] ZINC000655234891 677632018 /nfs/dbraw/zinc/63/20/18/677632018.db2.gz AQGNYUKZZBPFAX-LLVKDONJSA-N -1 1 366.805 2.344 20 0 FEADMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000655651162 677657789 /nfs/dbraw/zinc/65/77/89/677657789.db2.gz KRNQXTQRDWFNGM-VIFPVBQESA-N -1 1 357.398 2.168 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@H]1CCCCO1 ZINC000655665554 677659553 /nfs/dbraw/zinc/65/95/53/677659553.db2.gz VXTDMLRPUAMVPT-NXEZZACHSA-N -1 1 355.382 2.065 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000761342337 680720341 /nfs/dbraw/zinc/72/03/41/680720341.db2.gz JDQVYIQHVGNPJH-ZADCQDASSA-N -1 1 353.774 2.427 20 0 FEADMM O=S(=O)(CCc1ccc2c(c1)OC(F)(F)O2)c1n[n-]c(C2CC2)n1 ZINC000656554771 677773724 /nfs/dbraw/zinc/77/37/24/677773724.db2.gz TYCCXYRUOLEJTK-UHFFFAOYSA-N -1 1 357.338 2.020 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)oc(=O)n2C)C1CCCC1 ZINC000656621785 677788149 /nfs/dbraw/zinc/78/81/49/677788149.db2.gz SKPSKQFOSSJLPQ-OAHLLOKOSA-N -1 1 354.428 2.078 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)cc1F)[C@@H]1CCOC1 ZINC000656630171 677795276 /nfs/dbraw/zinc/79/52/76/677795276.db2.gz XZJQSWCHJNWKJS-NOZJJQNGSA-N -1 1 369.361 2.220 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3=O)c1 ZINC000656635749 677798407 /nfs/dbraw/zinc/79/84/07/677798407.db2.gz FLSJMMOELXWXPV-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM O=S(=O)(CCc1ccccc1F)[N-]c1ncccc1N1CCOCC1 ZINC000656737189 677824300 /nfs/dbraw/zinc/82/43/00/677824300.db2.gz HAKOCGUOQHNXPA-UHFFFAOYSA-N -1 1 365.430 2.042 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2cnc3c(C)cccn23)coc1C(=O)N(C)C ZINC000656741884 677826970 /nfs/dbraw/zinc/82/69/70/677826970.db2.gz AJYZMEYHTVEDJA-UHFFFAOYSA-N -1 1 362.411 2.047 20 0 FEADMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ncccc2Br)CCO1 ZINC000657009116 677909152 /nfs/dbraw/zinc/90/91/52/677909152.db2.gz NZFFTWUCEXXYIP-JTQLQIEISA-N -1 1 363.277 2.328 20 0 FEADMM C[C@@H](O)C1([N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000660049713 678264983 /nfs/dbraw/zinc/26/49/83/678264983.db2.gz VIVHFZFZAASKNY-RXMQYKEDSA-N -1 1 360.682 2.356 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCCOC2)c(F)c1 ZINC000660053186 678266814 /nfs/dbraw/zinc/26/68/14/678266814.db2.gz APUYWTWTWYBWBT-INIZCTEOSA-N -1 1 363.426 2.119 20 0 FEADMM O=C(Nn1cc(Br)cn1)c1cc(Br)ccc1[O-] ZINC000763235882 680776777 /nfs/dbraw/zinc/77/67/77/680776777.db2.gz SSOVAKBZRLRGNJ-UHFFFAOYSA-N -1 1 360.993 2.498 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc(C(=O)[O-])c1F ZINC000763280517 680778405 /nfs/dbraw/zinc/77/84/05/680778405.db2.gz LTVRHLFWEFBOOP-UHFFFAOYSA-N -1 1 351.359 2.301 20 0 FEADMM CC(C)N(Cc1cccc(Br)c1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662202623 678589764 /nfs/dbraw/zinc/58/97/64/678589764.db2.gz NTQHCERYTGUDAE-AWEZNQCLSA-N -1 1 369.259 2.345 20 0 FEADMM COc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1[N-]S(C)(=O)=O ZINC000763885738 680794417 /nfs/dbraw/zinc/79/44/17/680794417.db2.gz NIFFJAHCJBKVAD-BJMVGYQFSA-N -1 1 362.407 2.424 20 0 FEADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccnc(OCCO)c2)cc1 ZINC000663301853 678721166 /nfs/dbraw/zinc/72/11/66/678721166.db2.gz RCGNTULQQJEHDC-UHFFFAOYSA-N -1 1 366.439 2.288 20 0 FEADMM C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H](CC(F)(F)F)O1 ZINC000664465714 678883230 /nfs/dbraw/zinc/88/32/30/678883230.db2.gz BSHBUCUKOVUYFZ-UWVGGRQHSA-N -1 1 355.316 2.105 20 0 FEADMM CN(CCCN(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)Cc1ccco1 ZINC000665319605 678952471 /nfs/dbraw/zinc/95/24/71/678952471.db2.gz WNLIXYDREHXJTJ-MRXNPFEDSA-N -1 1 351.447 2.244 20 0 FEADMM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000667704438 679123420 /nfs/dbraw/zinc/12/34/20/679123420.db2.gz KEBSZQCOMYIYDP-AWEZNQCLSA-N -1 1 359.451 2.228 20 0 FEADMM COc1ccc(N[C@H](C)c2cc3n(n2)CCC3)cc1[N-]S(C)(=O)=O ZINC000840740384 680839953 /nfs/dbraw/zinc/83/99/53/680839953.db2.gz SYZXCIKZDABBPB-LLVKDONJSA-N -1 1 350.444 2.383 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000672362574 679372207 /nfs/dbraw/zinc/37/22/07/679372207.db2.gz XCEYCVDWAHWWIH-IUCAKERBSA-N -1 1 366.418 2.338 20 0 FEADMM C[C@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(Br)cc1 ZINC000765494171 680844093 /nfs/dbraw/zinc/84/40/93/680844093.db2.gz KGOUGTKNSDOYRY-SECBINFHSA-N -1 1 354.204 2.108 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c(F)c1 ZINC000674043119 679464700 /nfs/dbraw/zinc/46/47/00/679464700.db2.gz LYCGEBVOGKEYMN-UHFFFAOYSA-N -1 1 357.382 2.231 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1 ZINC000840915354 680852571 /nfs/dbraw/zinc/85/25/71/680852571.db2.gz GSROGMPBPBYWHX-NRFANRHFSA-N -1 1 359.391 2.481 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000765741004 680853458 /nfs/dbraw/zinc/85/34/58/680853458.db2.gz QWTIMZLIIQQCPM-HTQZYQBOSA-N -1 1 367.176 2.369 20 0 FEADMM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)n1 ZINC000675467383 679553436 /nfs/dbraw/zinc/55/34/36/679553436.db2.gz KUZOSIMGXRTFQX-UHFFFAOYSA-N -1 1 360.357 2.419 20 0 FEADMM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000676843541 679643880 /nfs/dbraw/zinc/64/38/80/679643880.db2.gz IUGVBJDRLRPUBU-CYBMUJFWSA-N -1 1 366.483 2.262 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)[C@@H](C)c2ccccc2)c(F)c1 ZINC000676857865 679645590 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CN(C)c1ncc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cn1 ZINC000901551867 690657735 /nfs/dbraw/zinc/65/77/35/690657735.db2.gz WILXJXYXQNHZKG-CYBMUJFWSA-N -1 1 354.332 2.477 20 0 FEADMM CN(C)[S@](C)(=O)=NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901617389 690667207 /nfs/dbraw/zinc/66/72/07/690667207.db2.gz WJWONZBVYHKEMT-XMMPIXPASA-N -1 1 366.468 2.042 20 0 FEADMM CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1 ZINC000901641533 690672159 /nfs/dbraw/zinc/67/21/59/690672159.db2.gz KSFUIKSBGHNLKW-UHFFFAOYSA-N -1 1 361.670 2.487 20 0 FEADMM COC[C@](C)(CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000901792869 690694946 /nfs/dbraw/zinc/69/49/46/690694946.db2.gz GVBGFVRPKZXBNZ-HNNXBMFYSA-N -1 1 356.785 2.029 20 0 FEADMM COC[C@@](C)(CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000901792870 690695160 /nfs/dbraw/zinc/69/51/60/690695160.db2.gz GVBGFVRPKZXBNZ-OAHLLOKOSA-N -1 1 356.785 2.029 20 0 FEADMM CCOc1c(CN2CCSC[C@@H](C(=O)[O-])C2)c(C)nn1CC(C)C ZINC000901889853 690708173 /nfs/dbraw/zinc/70/81/73/690708173.db2.gz 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/nfs/dbraw/zinc/11/00/12/691110012.db2.gz QBVKVERXNKPDLU-VHSXEESVSA-N -1 1 356.138 2.430 20 0 FEADMM O=C([O-])[C@@H](NCCOC1CCOCC1)c1ccccc1Br ZINC000905394008 691113214 /nfs/dbraw/zinc/11/32/14/691113214.db2.gz DHRCUGXKOFBRCX-AWEZNQCLSA-N -1 1 358.232 2.360 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)CCc3ccc(SC)cc3)nc2n1 ZINC000906058605 691223897 /nfs/dbraw/zinc/22/38/97/691223897.db2.gz PEPVSPTUISDFPT-UHFFFAOYSA-N -1 1 357.439 2.273 20 0 FEADMM CN1Cc2cccc([N-]S(=O)(=O)N=[S@](C)(=O)c3ccccc3)c2C1 ZINC000906065271 691225525 /nfs/dbraw/zinc/22/55/25/691225525.db2.gz RWTGBLQZHCNXFJ-HSZRJFAPSA-N -1 1 365.480 2.446 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N[C@H](C)CN2CCC(C)CC2)cc1C(=O)[O-] ZINC000907042049 691378354 /nfs/dbraw/zinc/37/83/54/691378354.db2.gz RISBVYHXETVLMU-OAHLLOKOSA-N -1 1 368.499 2.400 20 0 FEADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C2CC2)nn1C)c1ccccc1F ZINC000907247697 691431873 /nfs/dbraw/zinc/43/18/73/691431873.db2.gz GPUUUXTXACOSSW-MRXNPFEDSA-N -1 1 351.403 2.045 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1cc(Br)ccc1Cl)c1nn[n-]n1 ZINC000907350548 691459337 /nfs/dbraw/zinc/45/93/37/691459337.db2.gz QYMMNWBUTQDBQA-QMMMGPOBSA-N -1 1 372.654 2.420 20 0 FEADMM O=C(c1cc2c(cncc2Cl)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473760 691493425 /nfs/dbraw/zinc/49/34/25/691493425.db2.gz FFERCTKPANANBN-SECBINFHSA-N -1 1 366.859 2.393 20 0 FEADMM COc1ccccc1C/C(C)=C/C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475019 691494171 /nfs/dbraw/zinc/49/41/71/691494171.db2.gz MLBAOWDNSIXZMC-WONIAPNHSA-N -1 1 359.455 2.014 20 0 FEADMM Cc1cc(O[C@@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)ccc1Cl ZINC000907475427 691494642 /nfs/dbraw/zinc/49/46/42/691494642.db2.gz JXMNRAIJEIOUAP-GXFFZTMASA-N -1 1 367.862 2.246 20 0 FEADMM COc1ccc2oc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)c(C)c2c1 ZINC000907477862 691495818 /nfs/dbraw/zinc/49/58/18/691495818.db2.gz SRSNVOJYMNKATM-LBPRGKRZSA-N -1 1 359.411 2.193 20 0 FEADMM C[C@@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1cn(C)c2ccccc12 ZINC000907479063 691496536 /nfs/dbraw/zinc/49/65/36/691496536.db2.gz IQXMJRRVSRXKNX-IAQYHMDHSA-N -1 1 356.455 2.112 20 0 FEADMM CCOc1ccc(C[C@@H](C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907480648 691497323 /nfs/dbraw/zinc/49/73/23/691497323.db2.gz PWZPGHRGBQPXKT-DOMZBBRYSA-N -1 1 361.471 2.094 20 0 FEADMM O=C(/C=C\Sc1cc(F)ccc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480875 691497682 /nfs/dbraw/zinc/49/76/82/691497682.db2.gz WRFTZJCMEWHCJT-MZBZXASESA-N -1 1 369.422 2.400 20 0 FEADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480982 691497776 /nfs/dbraw/zinc/49/77/76/691497776.db2.gz RNTJOMGGPCDKBE-GJZGRUSLSA-N -1 1 359.455 2.106 20 0 FEADMM O=C([C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907482902 691498436 /nfs/dbraw/zinc/49/84/36/691498436.db2.gz SWPMJUMJTYNIRU-VZZFWQQMSA-N -1 1 361.858 2.056 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)CCO2 ZINC000908018506 691599703 /nfs/dbraw/zinc/59/97/03/691599703.db2.gz HNCDUAICMNZLGW-KSZLIROESA-N -1 1 369.483 2.369 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1c(F)cccc1F)CCO2 ZINC000908022441 691600509 /nfs/dbraw/zinc/60/05/09/691600509.db2.gz AVSBQSGDKOXVHK-CVEARBPZSA-N -1 1 361.410 2.460 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C[C@@H](C)[S@@]1=O ZINC000908143545 691624058 /nfs/dbraw/zinc/62/40/58/691624058.db2.gz BWIWOVBPCVFFAK-JEKXNZCQSA-N -1 1 350.415 2.451 20 0 FEADMM C[C@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)[C@@H]1CCCO1 ZINC000908205004 691637234 /nfs/dbraw/zinc/63/72/34/691637234.db2.gz LPTUVYZXCUVEEA-VLJOUNFMSA-N -1 1 350.381 2.106 20 0 FEADMM Cc1ncccc1CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000908358018 691666488 /nfs/dbraw/zinc/66/64/88/691666488.db2.gz YXGGIVXLHRBSPY-QHCPKHFHSA-N -1 1 371.459 2.063 20 0 FEADMM O=S(=O)([N-]CCOC1CCSCC1)c1ccc(F)c(F)c1F ZINC000908459472 691683249 /nfs/dbraw/zinc/68/32/49/691683249.db2.gz BPWJEFNNPXMYIY-UHFFFAOYSA-N -1 1 355.403 2.294 20 0 FEADMM CC(C)(C)n1nnc(CC(=O)Nc2cccc([O-])c2Br)n1 ZINC000908707531 691715882 /nfs/dbraw/zinc/71/58/82/691715882.db2.gz KFKZDKMMBLRDJM-UHFFFAOYSA-N -1 1 354.208 2.077 20 0 FEADMM Cc1nnc2n1C[C@@H](C(=O)Nc1cccc([O-])c1Br)CC2 ZINC000908710090 691716285 /nfs/dbraw/zinc/71/62/85/691716285.db2.gz WSDDUKJPJPKELL-VIFPVBQESA-N -1 1 351.204 2.256 20 0 FEADMM COC1(C[C@@H](NC(=O)NC[C@H](c2cccs2)N(C)C)C(=O)[O-])CCC1 ZINC000908747516 691721709 /nfs/dbraw/zinc/72/17/09/691721709.db2.gz SGNANNSHKLOPMB-CHWSQXEVSA-N -1 1 369.487 2.062 20 0 FEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C1CCC1 ZINC000908753707 691723531 /nfs/dbraw/zinc/72/35/31/691723531.db2.gz NYKUSDYGASFPSG-WBMJQRKESA-N -1 1 351.422 2.466 20 0 FEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccc(F)c1)N(C)C)C1CCC1 ZINC000908753704 691723575 /nfs/dbraw/zinc/72/35/75/691723575.db2.gz NYKUSDYGASFPSG-BLLLJJGKSA-N -1 1 351.422 2.466 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(CC(=O)[O-])C1CCCC1)c1ccc(F)cc1 ZINC000908820463 691735401 /nfs/dbraw/zinc/73/54/01/691735401.db2.gz RTMZXXQFIFFSKO-INIZCTEOSA-N -1 1 351.422 2.467 20 0 FEADMM O=C([O-])[C@@H](CF)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000908949469 691757522 /nfs/dbraw/zinc/75/75/22/691757522.db2.gz ORPZVWHSECGHAP-OAHLLOKOSA-N -1 1 371.840 2.274 20 0 FEADMM O=C(OCc1[nH]nc2c1COCC2)c1ccc(Br)c([O-])c1 ZINC000909092978 691777381 /nfs/dbraw/zinc/77/73/81/691777381.db2.gz SZNDCDDEQPYTRR-UHFFFAOYSA-N -1 1 353.172 2.308 20 0 FEADMM CC[C@H](C)C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000909095909 691777756 /nfs/dbraw/zinc/77/77/56/691777756.db2.gz RGBDNRLRXJICPC-BBRMVZONSA-N -1 1 353.438 2.446 20 0 FEADMM CN(CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000909369922 691813540 /nfs/dbraw/zinc/81/35/40/691813540.db2.gz HKLLLWHVOFXWJA-KBPBESRZSA-N -1 1 356.875 2.409 20 0 FEADMM Cc1ccc(Br)cc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909728961 691849609 /nfs/dbraw/zinc/84/96/09/691849609.db2.gz ISOGSFWEOFVPKM-LBPRGKRZSA-N -1 1 369.259 2.170 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)c2cnc[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000909854890 691865040 /nfs/dbraw/zinc/86/50/40/691865040.db2.gz LJZFGUCQLAJUJO-NWDGAFQWSA-N -1 1 364.199 2.113 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000910173597 691896525 /nfs/dbraw/zinc/89/65/25/691896525.db2.gz NPKKGBFWSUQZQS-JTQLQIEISA-N -1 1 360.332 2.048 20 0 FEADMM O=C([O-])[C@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1cccc(F)c1 ZINC001465112693 804125384 /nfs/dbraw/zinc/12/53/84/804125384.db2.gz OPCNZNXOLAQAPD-NWDGAFQWSA-N -1 1 351.346 2.090 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccsc1 ZINC001119636098 939815010 /nfs/dbraw/zinc/81/50/10/939815010.db2.gz YWOFISWUMVTHHS-INIZCTEOSA-N -1 1 373.478 2.272 20 0 FEADMM C[C@@H]1CC[C@@](NC(=O)CN(C)[C@@H]2CCSC2)(C(=O)[O-])c2ccccc21 ZINC001123397352 939825155 /nfs/dbraw/zinc/82/51/55/939825155.db2.gz FMSNQVHHDDZYBT-LPMFXHHGSA-N -1 1 362.495 2.417 20 0 FEADMM CC1(C)CN(C(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000230888808 548761473 /nfs/dbraw/zinc/76/14/73/548761473.db2.gz GXEWNCFQGCCAQW-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCCO1 ZINC000230893228 548761741 /nfs/dbraw/zinc/76/17/41/548761741.db2.gz NMJZGSLVLZEBAS-SECBINFHSA-N -1 1 361.179 2.248 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c(C(F)(F)F)n1 ZINC000549404042 674039361 /nfs/dbraw/zinc/03/93/61/674039361.db2.gz VLAAUAZAXUEPBW-UHFFFAOYSA-N -1 1 369.409 2.050 20 0 FEADMM Cc1csc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000005155094 539403244 /nfs/dbraw/zinc/40/32/44/539403244.db2.gz MTGGVASWPFKGKC-UHFFFAOYSA-N -1 1 350.347 2.284 20 0 FEADMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2NC1=O ZINC000007729429 539464943 /nfs/dbraw/zinc/46/49/43/539464943.db2.gz XCQAMNPKJFYOAH-MRVPVSSYSA-N -1 1 354.334 2.485 20 0 FEADMM COc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc(OC)c1OC ZINC000008059627 539476517 /nfs/dbraw/zinc/47/65/17/539476517.db2.gz XZOSYICEKKJMEZ-UHFFFAOYSA-N -1 1 373.377 2.469 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(F)cc2n[nH]nc21 ZINC000800548045 674062054 /nfs/dbraw/zinc/06/20/54/674062054.db2.gz BJUBYUMZBQWUPA-UHFFFAOYSA-N -1 1 352.123 2.212 20 0 FEADMM COC(=O)c1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000014349083 539601775 /nfs/dbraw/zinc/60/17/75/539601775.db2.gz HDUVZWTZOLUZEC-UHFFFAOYSA-N -1 1 361.423 2.158 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000016100066 539627699 /nfs/dbraw/zinc/62/76/99/539627699.db2.gz LQKZVATYXKOZRJ-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCC(=O)Nc1c(C)cccc1C ZINC000017857433 539643978 /nfs/dbraw/zinc/64/39/78/539643978.db2.gz JWIPJJORYQFFNI-UHFFFAOYSA-N -1 1 361.471 2.265 20 0 FEADMM CCc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000024250335 539728802 /nfs/dbraw/zinc/72/88/02/539728802.db2.gz JVNHBZDHQXDESD-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM COc1ccc([C@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)NC(C)=O)cc1 ZINC000026252616 539781555 /nfs/dbraw/zinc/78/15/55/539781555.db2.gz POOUXHRRCWTDSB-NSHDSACASA-N -1 1 371.319 2.038 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)cc1 ZINC000026527744 539788835 /nfs/dbraw/zinc/78/88/35/539788835.db2.gz PDLVZKOVTSITFH-UHFFFAOYSA-N -1 1 365.407 2.299 20 0 FEADMM C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029914701 539868141 /nfs/dbraw/zinc/86/81/41/539868141.db2.gz HCNIVQSGEQEJES-AWEZNQCLSA-N -1 1 360.435 2.348 20 0 FEADMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000032095429 539929182 /nfs/dbraw/zinc/92/91/82/539929182.db2.gz GDMNYYVLZNRTIH-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)o1 ZINC000032966637 539962030 /nfs/dbraw/zinc/96/20/30/539962030.db2.gz BKLHOZWAXCHMAC-QGZVFWFLSA-N -1 1 371.418 2.102 20 0 FEADMM COc1cc(NC(=O)COc2ccc(F)cc2)ccc1[N-]S(C)(=O)=O ZINC000033067677 539966118 /nfs/dbraw/zinc/96/61/18/539966118.db2.gz ZJVBCTMQLNUTDU-UHFFFAOYSA-N -1 1 368.386 2.223 20 0 FEADMM Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000035296717 539979692 /nfs/dbraw/zinc/97/96/92/539979692.db2.gz XVTRNYVWBVMNGR-LLVKDONJSA-N -1 1 355.232 2.493 20 0 FEADMM CCOCCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041065780 540011748 /nfs/dbraw/zinc/01/17/48/540011748.db2.gz GAKAMRGVOKULDC-UHFFFAOYSA-N -1 1 357.657 2.202 20 0 FEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000041616214 540026615 /nfs/dbraw/zinc/02/66/15/540026615.db2.gz HLFDFKYZMNUGBO-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000041616243 540026627 /nfs/dbraw/zinc/02/66/27/540026627.db2.gz RRVWZBAATPWCHW-UHFFFAOYSA-N -1 1 355.423 2.260 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000041869580 540037508 /nfs/dbraw/zinc/03/75/08/540037508.db2.gz SRHGGGQLXWFUDF-CQSZACIVSA-N -1 1 371.275 2.241 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCc2cnn(C)c2)cc1 ZINC000042758886 540077165 /nfs/dbraw/zinc/07/71/65/540077165.db2.gz AWHKPEWCHSRRFX-UHFFFAOYSA-N -1 1 370.482 2.399 20 0 FEADMM CN(C)C(=O)Nc1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000047212005 540297207 /nfs/dbraw/zinc/29/72/07/540297207.db2.gz NKLGXSPVRCOOMG-UHFFFAOYSA-N -1 1 363.395 2.279 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccsc2)o1 ZINC000048156671 540347935 /nfs/dbraw/zinc/34/79/35/540347935.db2.gz DBCVQVMVZGZGEF-UHFFFAOYSA-N -1 1 356.469 2.390 20 0 FEADMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048665899 540369358 /nfs/dbraw/zinc/36/93/58/540369358.db2.gz KNWLPSXUOOABER-LURJTMIESA-N -1 1 359.662 2.450 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)cc2F)o1 ZINC000052080007 540454052 /nfs/dbraw/zinc/45/40/52/540454052.db2.gz VULUHNSUJVZZSA-UHFFFAOYSA-N -1 1 356.375 2.366 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000052797992 540490214 /nfs/dbraw/zinc/49/02/14/540490214.db2.gz QNYUHILTUWWVSR-UHFFFAOYSA-N -1 1 360.370 2.410 20 0 FEADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000055555018 540658539 /nfs/dbraw/zinc/65/85/39/540658539.db2.gz NCTZQYKLHYDVTG-UHFFFAOYSA-N -1 1 370.377 2.410 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000055594684 540662102 /nfs/dbraw/zinc/66/21/02/540662102.db2.gz CLFDEACKDJOVPN-UHFFFAOYSA-N -1 1 357.334 2.317 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000055594568 540662716 /nfs/dbraw/zinc/66/27/16/540662716.db2.gz PLNYFJYCVZIONX-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1 ZINC000055601782 540663061 /nfs/dbraw/zinc/66/30/61/540663061.db2.gz LLCGSCLFSWUACE-UHFFFAOYSA-N -1 1 359.411 2.252 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000055622853 540664617 /nfs/dbraw/zinc/66/46/17/540664617.db2.gz OUXBBYXXSVNHRY-UHFFFAOYSA-N -1 1 362.407 2.024 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000055678410 540670093 /nfs/dbraw/zinc/67/00/93/540670093.db2.gz SMJZRLPAWAXJFW-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000055640415 540667358 /nfs/dbraw/zinc/66/73/58/540667358.db2.gz KBTNWBLJUBCPFL-UHFFFAOYSA-N -1 1 364.423 2.471 20 0 FEADMM CC(C)c1ccc2nc(-c3cccc(NS(N)(=O)=O)c3)[n-]c(=O)c2c1 ZINC000057771918 540814356 /nfs/dbraw/zinc/81/43/56/540814356.db2.gz AEKIOMKYMROURO-UHFFFAOYSA-N -1 1 358.423 2.329 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000226860021 209368505 /nfs/dbraw/zinc/36/85/05/209368505.db2.gz ICCYSXMKDAPTIG-UHFFFAOYSA-N -1 1 370.308 2.390 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1F ZINC000058497517 540845802 /nfs/dbraw/zinc/84/58/02/540845802.db2.gz MXUDNSJVPPZGCS-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1OC ZINC000058497130 540846188 /nfs/dbraw/zinc/84/61/88/540846188.db2.gz ZENMYLOXSTYLGY-UHFFFAOYSA-N -1 1 362.407 2.056 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)nc2)c1 ZINC000058557794 540848700 /nfs/dbraw/zinc/84/87/00/540848700.db2.gz IDIZRRKPGXPKRZ-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM CCC(CC)N(CCOC)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000107948290 209282087 /nfs/dbraw/zinc/28/20/87/209282087.db2.gz TXBDAQXPPZRHEW-UHFFFAOYSA-N -1 1 355.504 2.396 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2c(OC)cc(OC)cc2C(=O)[O-])cc1 ZINC000060362426 541107173 /nfs/dbraw/zinc/10/71/73/541107173.db2.gz IHWBIKKJQVXUGV-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM CN(CCS(=O)(=O)c1ccc(Br)cc1)C(C)(C)C(=O)[O-] ZINC000061173032 541126864 /nfs/dbraw/zinc/12/68/64/541126864.db2.gz XRBADRISJURZGN-UHFFFAOYSA-N -1 1 364.261 2.018 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1 ZINC000064475375 541207680 /nfs/dbraw/zinc/20/76/80/541207680.db2.gz QOABSONTURHQDC-UHFFFAOYSA-N -1 1 362.411 2.327 20 0 FEADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000065832734 541264654 /nfs/dbraw/zinc/26/46/54/541264654.db2.gz JSFQCZZVQKXJKI-UHFFFAOYSA-N -1 1 373.438 2.388 20 0 FEADMM CC(C)n1c(CNC(=O)CCNC(=O)c2ccc(F)cc2)n[n-]c1=S ZINC000066639954 541352427 /nfs/dbraw/zinc/35/24/27/541352427.db2.gz TXBVBFYPRSVYKG-UHFFFAOYSA-N -1 1 365.434 2.097 20 0 FEADMM Cc1ccc(N2C[C@@H](C(=O)NCc3n[n-]c(=S)n3C(C)C)CC2=O)cc1 ZINC000066650033 541355489 /nfs/dbraw/zinc/35/54/89/541355489.db2.gz XFRJRLHCIXCPPN-ZDUSSCGKSA-N -1 1 373.482 2.499 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)n[n-]c1=S ZINC000067050456 541410741 /nfs/dbraw/zinc/41/07/41/541410741.db2.gz ZMFPQHYRQXDGLF-AWEZNQCLSA-N -1 1 373.482 2.272 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(CNc2ccnc(C)n2)c1)c1nn[n-]n1 ZINC000542652999 541441897 /nfs/dbraw/zinc/44/18/97/541441897.db2.gz HJIKXONGXUHXFR-HNNXBMFYSA-N -1 1 366.429 2.181 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1ccc2c(c1)COC2 ZINC000068076173 541545064 /nfs/dbraw/zinc/54/50/64/541545064.db2.gz XZTKIHNXYRYGOT-UHFFFAOYSA-N -1 1 360.370 2.237 20 0 FEADMM Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000068118866 541552328 /nfs/dbraw/zinc/55/23/28/541552328.db2.gz ZYCNHQXWNSOBJD-OAHLLOKOSA-N -1 1 373.434 2.013 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)C2CCCCC2)o1 ZINC000069493880 541690648 /nfs/dbraw/zinc/69/06/48/541690648.db2.gz PMHDIFXRGUQGQX-ZDUSSCGKSA-N -1 1 372.487 2.027 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccc(F)c(F)c1F ZINC000071092368 541763345 /nfs/dbraw/zinc/76/33/45/541763345.db2.gz SLPACUHPARSENA-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCCO)cc1 ZINC000072628022 541840526 /nfs/dbraw/zinc/84/05/26/541840526.db2.gz LNHCAPJWYBBBJJ-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM CCN(CC)C(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801358470 674124028 /nfs/dbraw/zinc/12/40/28/674124028.db2.gz KMSDDGFHMHDSLD-UHFFFAOYSA-N -1 1 351.790 2.257 20 0 FEADMM C[C@@H]1CN(CCOC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCO1 ZINC000801373827 674124778 /nfs/dbraw/zinc/12/47/78/674124778.db2.gz QAHDTNVWJRQQOW-GFCCVEGCSA-N -1 1 365.817 2.109 20 0 FEADMM CCO[C@@H](CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)C1=CCCC1 ZINC000073094734 541916900 /nfs/dbraw/zinc/91/69/00/541916900.db2.gz DXBSCSJJBQNZDR-INIZCTEOSA-N -1 1 358.442 2.161 20 0 FEADMM CNC(=O)CC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000074809837 542123460 /nfs/dbraw/zinc/12/34/60/542123460.db2.gz KXDFJANYFNBHCC-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM CC(=O)c1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1)OCO2 ZINC000004217866 207008018 /nfs/dbraw/zinc/00/80/18/207008018.db2.gz JJIWLKCUCLLRQE-UHFFFAOYSA-N -1 1 363.347 2.117 20 0 FEADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C1=O ZINC000035685705 208135964 /nfs/dbraw/zinc/13/59/64/208135964.db2.gz VQEMRWJAWZEMOG-UHFFFAOYSA-N -1 1 350.783 2.367 20 0 FEADMM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C2 ZINC000077395477 542377713 /nfs/dbraw/zinc/37/77/13/542377713.db2.gz FIOXSDYPGAYDLQ-LBPRGKRZSA-N -1 1 355.362 2.255 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2noc(-c3ccccc3Cl)n2)n[n-]1 ZINC000086170266 542734666 /nfs/dbraw/zinc/73/46/66/542734666.db2.gz SXRUOVLSRSSTCK-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM Cc1nsc(C)c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000551800960 674163493 /nfs/dbraw/zinc/16/34/93/674163493.db2.gz XZXOIRRPOHINDS-UHFFFAOYSA-N -1 1 367.452 2.159 20 0 FEADMM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000092269439 542853386 /nfs/dbraw/zinc/85/33/86/542853386.db2.gz FCHOTOODSDLZQX-UHFFFAOYSA-N -1 1 373.352 2.412 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cnn(C4CCOCC4)c3)ccc12 ZINC000093909272 542945119 /nfs/dbraw/zinc/94/51/19/542945119.db2.gz PHGHWFAQITYVDP-UHFFFAOYSA-N -1 1 361.427 2.220 20 0 FEADMM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ncn(C)c2Cl)N2CCCC2)o1 ZINC000101580267 543035634 /nfs/dbraw/zinc/03/56/34/543035634.db2.gz LYHSXBVPJTYTTG-GFCCVEGCSA-N -1 1 372.878 2.090 20 0 FEADMM CCN(CCNS(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000102183994 543062147 /nfs/dbraw/zinc/06/21/47/543062147.db2.gz HVBRXDZSASEZMI-UHFFFAOYSA-N -1 1 353.307 2.273 20 0 FEADMM Cc1ccsc1S(=O)(=O)[N-][C@H](c1nc(C)no1)C1CCOCC1 ZINC000551888443 674169248 /nfs/dbraw/zinc/16/92/48/674169248.db2.gz NMDJNEFUSFXMFA-LBPRGKRZSA-N -1 1 357.457 2.194 20 0 FEADMM CC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(OC)cc1 ZINC000103940041 543118688 /nfs/dbraw/zinc/11/86/88/543118688.db2.gz PNOMIODVHDDYMM-QGZVFWFLSA-N -1 1 368.437 2.458 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000104823499 543145852 /nfs/dbraw/zinc/14/58/52/543145852.db2.gz JHCKUCBFJAPZIV-SECBINFHSA-N -1 1 360.364 2.338 20 0 FEADMM COc1ccc([C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1F ZINC000104825047 543145913 /nfs/dbraw/zinc/14/59/13/543145913.db2.gz KRTMMVFNKONPQE-SNVBAGLBSA-N -1 1 372.400 2.207 20 0 FEADMM COc1ccc([C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1F ZINC000104825043 543146014 /nfs/dbraw/zinc/14/60/14/543146014.db2.gz KRTMMVFNKONPQE-JTQLQIEISA-N -1 1 372.400 2.207 20 0 FEADMM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C2 ZINC000105620798 543178750 /nfs/dbraw/zinc/17/87/50/543178750.db2.gz YXCOVAZHIXPFTM-JTQLQIEISA-N -1 1 373.352 2.395 20 0 FEADMM CCN(CCC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccccc1 ZINC000107698624 543276457 /nfs/dbraw/zinc/27/64/57/543276457.db2.gz TXRQWDRGDMSEKQ-UHFFFAOYSA-N -1 1 366.439 2.261 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)n1 ZINC000107765568 543278307 /nfs/dbraw/zinc/27/83/07/543278307.db2.gz WGBHZNHXYOANPC-KBPBESRZSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)[n-]1 ZINC000107765568 543278309 /nfs/dbraw/zinc/27/83/09/543278309.db2.gz WGBHZNHXYOANPC-KBPBESRZSA-N -1 1 356.407 2.104 20 0 FEADMM O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000109953693 543344224 /nfs/dbraw/zinc/34/42/24/543344224.db2.gz ZZDKKVXSHXXOAJ-UHFFFAOYSA-N -1 1 360.801 2.327 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC[C@@H]2CCOC2)n[n-]1 ZINC000551922049 674173372 /nfs/dbraw/zinc/17/33/72/674173372.db2.gz DVBGSXSIIALPAC-OLZOCXBDSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC[C@@H]2CCOC2)[n-]1 ZINC000551922049 674173374 /nfs/dbraw/zinc/17/33/74/674173374.db2.gz DVBGSXSIIALPAC-OLZOCXBDSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC[C@@H]2CCOC2)n1 ZINC000551922049 674173378 /nfs/dbraw/zinc/17/33/78/674173378.db2.gz DVBGSXSIIALPAC-OLZOCXBDSA-N -1 1 352.435 2.002 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1Br ZINC000111254887 543390124 /nfs/dbraw/zinc/39/01/24/543390124.db2.gz VBKHITOHBODULV-ZYHUDNBSSA-N -1 1 355.232 2.349 20 0 FEADMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000551929829 674173989 /nfs/dbraw/zinc/17/39/89/674173989.db2.gz ROXFSVURSQRKAK-FTJFQDGESA-N -1 1 350.440 2.208 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ncc[nH]3)c2)c1 ZINC000114337762 543510210 /nfs/dbraw/zinc/51/02/10/543510210.db2.gz WGDBCTIOMCJKFC-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cc1cccc(OCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114412444 543513984 /nfs/dbraw/zinc/51/39/84/543513984.db2.gz VZPSRNWAIGIPQQ-UHFFFAOYSA-N -1 1 354.410 2.033 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc3[nH]cnc32)o1 ZINC000118728324 543657118 /nfs/dbraw/zinc/65/71/18/543657118.db2.gz AMJRWSUHUNNCCR-UHFFFAOYSA-N -1 1 362.411 2.485 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000123908780 543790552 /nfs/dbraw/zinc/79/05/52/543790552.db2.gz IUXSBSGZAVNZMD-UHFFFAOYSA-N -1 1 370.453 2.044 20 0 FEADMM COc1ccc(Br)cc1CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000124945087 543852232 /nfs/dbraw/zinc/85/22/32/543852232.db2.gz CEMHVCUPZCPNGV-UHFFFAOYSA-N -1 1 372.244 2.427 20 0 FEADMM O=C(NCc1ccccc1OCCO)c1ccc(Br)cc1[O-] ZINC000125244795 543870335 /nfs/dbraw/zinc/87/03/35/543870335.db2.gz NJYXBINKFUCDDS-UHFFFAOYSA-N -1 1 366.211 2.456 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2F)co1 ZINC000125324725 543875119 /nfs/dbraw/zinc/87/51/19/543875119.db2.gz MJEIVRNOCCQBQY-UHFFFAOYSA-N -1 1 356.375 2.366 20 0 FEADMM O=C(c1c[nH]c2ccccc2c1=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000127396897 543990456 /nfs/dbraw/zinc/99/04/56/543990456.db2.gz DGNHQSFBAHAOOI-SUMWQHHRSA-N -1 1 368.389 2.086 20 0 FEADMM O=C(NCCNC(=O)c1ccc2ccccc2c1[O-])c1ccc(O)cc1 ZINC000128176638 544036782 /nfs/dbraw/zinc/03/67/82/544036782.db2.gz QUUOVPAAONQCLV-UHFFFAOYSA-N -1 1 350.374 2.411 20 0 FEADMM COc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1Cl ZINC000128481603 544055509 /nfs/dbraw/zinc/05/55/09/544055509.db2.gz BQOIDVFZTNPHLX-UHFFFAOYSA-N -1 1 374.828 2.160 20 0 FEADMM CCOc1c(Cl)cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1OC ZINC000129336718 544106326 /nfs/dbraw/zinc/10/63/26/544106326.db2.gz LSATXEDTNDBBML-JTQLQIEISA-N -1 1 365.821 2.280 20 0 FEADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1NS(C)(=O)=O ZINC000130144432 544140040 /nfs/dbraw/zinc/14/00/40/544140040.db2.gz MHQVTCDHVPZRGJ-JTQLQIEISA-N -1 1 352.387 2.394 20 0 FEADMM O=C(NCCCOC1CCOCC1)c1cc(Br)ccc1[O-] ZINC000130568425 544156182 /nfs/dbraw/zinc/15/61/82/544156182.db2.gz WKDCCACADPMHNC-UHFFFAOYSA-N -1 1 358.232 2.470 20 0 FEADMM CC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1nccs1 ZINC000130829435 544167113 /nfs/dbraw/zinc/16/71/13/544167113.db2.gz JGZLXASSMLLHPI-NSHDSACASA-N -1 1 352.485 2.457 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)cc(Cl)c1Br ZINC000552187185 674193837 /nfs/dbraw/zinc/19/38/37/674193837.db2.gz IGORUJIQKDQUMB-UHFFFAOYSA-N -1 1 356.611 2.343 20 0 FEADMM CC(C)[C@@H](CCO)NC(=O)c1cc(I)ccc1[O-] ZINC000133193251 544260038 /nfs/dbraw/zinc/26/00/38/544260038.db2.gz RPRGZCJJCNLZKF-LLVKDONJSA-N -1 1 363.195 2.134 20 0 FEADMM O=C(NCc1nc(C(F)(F)F)cs1)c1nc2ccccc2c(=O)[n-]1 ZINC000133813099 544284243 /nfs/dbraw/zinc/28/42/43/544284243.db2.gz AGMGKAZVIDGKNA-UHFFFAOYSA-N -1 1 354.313 2.328 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCOC2(CCC2)C1 ZINC000134192418 544298339 /nfs/dbraw/zinc/29/83/39/544298339.db2.gz DJPZIMBJTQJGQI-UHFFFAOYSA-N -1 1 373.190 2.392 20 0 FEADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1F ZINC000135354487 544343414 /nfs/dbraw/zinc/34/34/14/544343414.db2.gz INNNKCUNYWKGBO-UHFFFAOYSA-N -1 1 350.418 2.060 20 0 FEADMM CCC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000135962646 544364315 /nfs/dbraw/zinc/36/43/15/544364315.db2.gz XDHLLWRNCDBATP-CYBMUJFWSA-N -1 1 351.472 2.093 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCCn1c(C)nc2ccccc21 ZINC000139087388 544400214 /nfs/dbraw/zinc/40/02/14/544400214.db2.gz NKDUMJMERCRWQN-UHFFFAOYSA-N -1 1 358.471 2.368 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nn[n-]n1 ZINC000136705398 544377602 /nfs/dbraw/zinc/37/76/02/544377602.db2.gz XTSMKDQBUXGNMY-AWEZNQCLSA-N -1 1 358.446 2.247 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccn(C)n2)cc1 ZINC000142639011 544418117 /nfs/dbraw/zinc/41/81/17/544418117.db2.gz KVMXMIMAYFQZDZ-UHFFFAOYSA-N -1 1 358.427 2.379 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c[nH]1 ZINC000150974106 544492131 /nfs/dbraw/zinc/49/21/31/544492131.db2.gz SZWYFYLDFATNGG-UHFFFAOYSA-N -1 1 354.395 2.457 20 0 FEADMM CCOc1cc(C)ccc1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000151062108 544501495 /nfs/dbraw/zinc/50/14/95/544501495.db2.gz RGVTZVDRRPIBAR-UHFFFAOYSA-N -1 1 368.437 2.205 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000152548751 544666691 /nfs/dbraw/zinc/66/66/91/544666691.db2.gz CCGMUTUKCULTPS-KBPBESRZSA-N -1 1 365.499 2.197 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1 ZINC000152588890 544671271 /nfs/dbraw/zinc/67/12/71/544671271.db2.gz YSYXCUUIEUDYCV-UHFFFAOYSA-N -1 1 364.814 2.424 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(F)c1F ZINC000153012589 544723161 /nfs/dbraw/zinc/72/31/61/544723161.db2.gz SAPVXMBODOORFE-OTYXRUKQSA-N -1 1 367.414 2.437 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c1 ZINC000152765587 544692806 /nfs/dbraw/zinc/69/28/06/544692806.db2.gz KBVQJYVISHCWOY-UHFFFAOYSA-N -1 1 358.441 2.299 20 0 FEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)s1 ZINC000153213132 544748126 /nfs/dbraw/zinc/74/81/26/544748126.db2.gz QLUGSLNVRVMADZ-JTQLQIEISA-N -1 1 371.484 2.348 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c1 ZINC000154175410 544872847 /nfs/dbraw/zinc/87/28/47/544872847.db2.gz NSMSYJSLHDSNKT-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000154337963 544893850 /nfs/dbraw/zinc/89/38/50/544893850.db2.gz WWWMBPYRNQXVKM-UHFFFAOYSA-N -1 1 366.414 2.144 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(CC(C)C)CC3)n2)cc1 ZINC000180604687 327693042 /nfs/dbraw/zinc/69/30/42/327693042.db2.gz DOWNGLMCLVOXEL-UHFFFAOYSA-N -1 1 358.442 2.000 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2N2CCCC2)c1 ZINC000181500152 327733497 /nfs/dbraw/zinc/73/34/97/327733497.db2.gz XDSNPWHXBUVZPH-UHFFFAOYSA-N -1 1 359.451 2.495 20 0 FEADMM COC(=O)C1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCCCC1 ZINC000182317423 327770452 /nfs/dbraw/zinc/77/04/52/327770452.db2.gz QZVJPYAZMKVTBU-UHFFFAOYSA-N -1 1 363.458 2.229 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCN(C(N)=O)C2)c1 ZINC000182929069 327794326 /nfs/dbraw/zinc/79/43/26/327794326.db2.gz HLBKBQNEFKAQHC-SECBINFHSA-N -1 1 356.220 2.192 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccsc1 ZINC000184253008 327858327 /nfs/dbraw/zinc/85/83/27/327858327.db2.gz BTQIVEZQTJYUKB-OAHLLOKOSA-N -1 1 362.432 2.489 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)no1 ZINC000184923559 327890046 /nfs/dbraw/zinc/89/00/46/327890046.db2.gz ACSQHUAIHQNLSD-UHFFFAOYSA-N -1 1 357.391 2.088 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)N1CCC(C)CC1 ZINC000184965365 327892258 /nfs/dbraw/zinc/89/22/58/327892258.db2.gz LIDONMJJOCZBOW-LBPRGKRZSA-N -1 1 374.890 2.437 20 0 FEADMM CC(=CC(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccccc1OC(F)F ZINC000187285168 328013242 /nfs/dbraw/zinc/01/32/42/328013242.db2.gz WUQFSLHBSNRQRU-UQSGXBNBSA-N -1 1 351.357 2.467 20 0 FEADMM CCCN1CCCN(C(=O)c2ccc(Br)c([O-])c2)CC1=O ZINC000188167286 328070722 /nfs/dbraw/zinc/07/07/22/328070722.db2.gz OKPUVUBMUGADTC-UHFFFAOYSA-N -1 1 355.232 2.239 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCCCC1=O ZINC000188755410 328108991 /nfs/dbraw/zinc/10/89/91/328108991.db2.gz CLLYSPHQZSKMRG-JTQLQIEISA-N -1 1 355.232 2.286 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000189088444 328127737 /nfs/dbraw/zinc/12/77/37/328127737.db2.gz RYVYDZDKDMXFIL-UHFFFAOYSA-N -1 1 364.398 2.140 20 0 FEADMM Cc1cc(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n[nH]1 ZINC000189712743 328163648 /nfs/dbraw/zinc/16/36/48/328163648.db2.gz OLVXDWMBGHVKOG-UHFFFAOYSA-N -1 1 365.231 2.149 20 0 FEADMM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(O)cc1[O-] ZINC000190083720 328187037 /nfs/dbraw/zinc/18/70/37/328187037.db2.gz UTRXPHXXUZJCER-UHFFFAOYSA-N -1 1 350.378 2.479 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)c2ccc(Cl)cc2)no1 ZINC000190389345 328204960 /nfs/dbraw/zinc/20/49/60/328204960.db2.gz HMLLOCYOFQXMMG-BIGNPOOSSA-N -1 1 371.846 2.218 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000190728051 328228302 /nfs/dbraw/zinc/22/83/02/328228302.db2.gz YVXBOHRSHISJHR-UHFFFAOYSA-N -1 1 352.387 2.385 20 0 FEADMM Cc1nc2nc(S(=O)(=O)Cc3ccccn3)[n-]c2cc1Br ZINC000191056214 328247836 /nfs/dbraw/zinc/24/78/36/328247836.db2.gz UZDRGOQLAAGURW-UHFFFAOYSA-N -1 1 367.228 2.398 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)Cc3ccccn3)nc-2cc1Br ZINC000191056214 328247839 /nfs/dbraw/zinc/24/78/39/328247839.db2.gz UZDRGOQLAAGURW-UHFFFAOYSA-N -1 1 367.228 2.398 20 0 FEADMM COC[C@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000191427439 328265416 /nfs/dbraw/zinc/26/54/16/328265416.db2.gz NYLIKYUATYBGBB-AWEZNQCLSA-N -1 1 354.410 2.004 20 0 FEADMM O=C(NCCc1cccnc1)c1cc(I)ccc1[O-] ZINC000192583599 328327262 /nfs/dbraw/zinc/32/72/62/328327262.db2.gz DXHJJAVIYNZNDM-UHFFFAOYSA-N -1 1 368.174 2.364 20 0 FEADMM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)NCc1ccccc1 ZINC000193037313 328353541 /nfs/dbraw/zinc/35/35/41/328353541.db2.gz BCERLEYCJMYXLI-UHFFFAOYSA-N -1 1 359.451 2.473 20 0 FEADMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)NCc1ccccc1 ZINC000193037313 328353543 /nfs/dbraw/zinc/35/35/43/328353543.db2.gz BCERLEYCJMYXLI-UHFFFAOYSA-N -1 1 359.451 2.473 20 0 FEADMM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1ccc(F)c(F)c1F ZINC000012141528 324371495 /nfs/dbraw/zinc/37/14/95/324371495.db2.gz UCRDOSBWVKADGA-UHFFFAOYSA-N -1 1 370.396 2.441 20 0 FEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016096319 324385165 /nfs/dbraw/zinc/38/51/65/324385165.db2.gz GIZBUAMDNARKCA-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)cc1 ZINC000022737915 324400699 /nfs/dbraw/zinc/40/06/99/324400699.db2.gz LODLGVOGUPLQLY-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1F ZINC000032591838 324478108 /nfs/dbraw/zinc/47/81/08/324478108.db2.gz CCBQALBUDLBSHA-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CSCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000034193764 324485068 /nfs/dbraw/zinc/48/50/68/324485068.db2.gz BEKMUWYXABXOBW-ZCFIWIBFSA-N -1 1 350.314 2.447 20 0 FEADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000219864456 328482822 /nfs/dbraw/zinc/48/28/22/328482822.db2.gz FFJBFHVZQOXLOB-CBAPKCEASA-N -1 1 369.668 2.343 20 0 FEADMM C[C@@H]1OCC[C@@]1(C)NC(=O)c1cc(I)ccc1[O-] ZINC000235424603 328488578 /nfs/dbraw/zinc/48/85/78/328488578.db2.gz OTMKZHWJTKKRCO-ISVAXAHUSA-N -1 1 361.179 2.294 20 0 FEADMM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1ccc(I)c([O-])c1 ZINC000230904193 328487543 /nfs/dbraw/zinc/48/75/43/328487543.db2.gz IUNQYKYJETZBRM-WCQYABFASA-N -1 1 373.190 2.294 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1 ZINC000064475454 324872799 /nfs/dbraw/zinc/87/27/99/324872799.db2.gz CFZMTQHWXYMPTE-UHFFFAOYSA-N -1 1 371.422 2.417 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000077991816 325027386 /nfs/dbraw/zinc/02/73/86/325027386.db2.gz KDCZIYGVNMZCEQ-LLVKDONJSA-N -1 1 354.122 2.294 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cc(COC)on2)CC1 ZINC000080176583 325120915 /nfs/dbraw/zinc/12/09/15/325120915.db2.gz QEOCOKHRFUMHNN-UHFFFAOYSA-N -1 1 351.432 2.115 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCN1CCc2ccccc21 ZINC000081526461 325181812 /nfs/dbraw/zinc/18/18/12/325181812.db2.gz WZHXNQWPUKPLQA-UHFFFAOYSA-N -1 1 358.467 2.395 20 0 FEADMM CCCOc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cn1 ZINC000081688797 325192953 /nfs/dbraw/zinc/19/29/53/325192953.db2.gz LADOHYKSTHNKHH-UHFFFAOYSA-N -1 1 358.442 2.490 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC(=O)Nc1ccccc1 ZINC000081727540 325194336 /nfs/dbraw/zinc/19/43/36/325194336.db2.gz HZLZFYHIISBSHE-UHFFFAOYSA-N -1 1 356.426 2.134 20 0 FEADMM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3[O-])cn2)C[C@@H](C)O1 ZINC000081941756 325203366 /nfs/dbraw/zinc/20/33/66/325203366.db2.gz KBLDQOUDYAFJQS-CHWSQXEVSA-N -1 1 359.401 2.470 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CC)n1)c1ccccc1 ZINC000086170285 325261309 /nfs/dbraw/zinc/26/13/09/325261309.db2.gz STWMXOWDCRVFPK-JSGCOSHPSA-N -1 1 364.471 2.187 20 0 FEADMM Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091161265 325375975 /nfs/dbraw/zinc/37/59/75/325375975.db2.gz GEZZJNSJKJCSQJ-UHFFFAOYSA-N -1 1 368.434 2.119 20 0 FEADMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cn1C ZINC000091556987 325387701 /nfs/dbraw/zinc/38/77/01/325387701.db2.gz BOMBWXACBPJKBO-UHFFFAOYSA-N -1 1 359.810 2.320 20 0 FEADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000091700475 325390064 /nfs/dbraw/zinc/39/00/64/325390064.db2.gz CRNXNDJKZNESCI-NSHDSACASA-N -1 1 351.204 2.261 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000092353848 325411338 /nfs/dbraw/zinc/41/13/38/325411338.db2.gz GPLALJMKCBDMPY-UHFFFAOYSA-N -1 1 354.331 2.265 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000093099190 325433891 /nfs/dbraw/zinc/43/38/91/325433891.db2.gz QCNCWZJDVUZNCC-NSHDSACASA-N -1 1 362.777 2.341 20 0 FEADMM CN1CCN(C(=O)c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)CC1 ZINC000094039962 325451994 /nfs/dbraw/zinc/45/19/94/325451994.db2.gz RJWHBGZWICLXGF-UHFFFAOYSA-N -1 1 357.385 2.171 20 0 FEADMM Cc1csc(CCCCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000104888200 325549890 /nfs/dbraw/zinc/54/98/90/325549890.db2.gz GYXGAVCGKTZDTE-UHFFFAOYSA-N -1 1 373.482 2.086 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000105390625 325566930 /nfs/dbraw/zinc/56/69/30/325566930.db2.gz LALAGUIAFJFNCU-UHFFFAOYSA-N -1 1 354.815 2.266 20 0 FEADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CCOC1 ZINC000106840300 325612688 /nfs/dbraw/zinc/61/26/88/325612688.db2.gz JSEPIBCTRUOLDB-INIZCTEOSA-N -1 1 360.435 2.348 20 0 FEADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000109953676 325680866 /nfs/dbraw/zinc/68/08/66/325680866.db2.gz VNLVYEXEMHOQGD-LLVKDONJSA-N -1 1 360.801 2.327 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc([S@](C)=O)c1 ZINC000110935641 325696729 /nfs/dbraw/zinc/69/67/29/325696729.db2.gz CGJBCMNYSPOBHV-AREMUKBSSA-N -1 1 372.450 2.360 20 0 FEADMM O=C1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1 ZINC000111019335 325699500 /nfs/dbraw/zinc/69/95/00/325699500.db2.gz XWLSYPRGYUNXPM-ZETCQYMHSA-N -1 1 357.646 2.204 20 0 FEADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)n1 ZINC000115312587 325949677 /nfs/dbraw/zinc/94/96/77/325949677.db2.gz UMJRXTDASHCGDR-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM CCCCNC(=O)CCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000116571225 326024431 /nfs/dbraw/zinc/02/44/31/326024431.db2.gz BYXIPMDWZHGWHZ-UHFFFAOYSA-N -1 1 356.492 2.008 20 0 FEADMM CS[C@@H]1CCC[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000117315659 326057481 /nfs/dbraw/zinc/05/74/81/326057481.db2.gz KPIJDBGMFYNDFM-LSDHHAIUSA-N -1 1 372.494 2.473 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)c(C)s1 ZINC000117740481 326068849 /nfs/dbraw/zinc/06/88/49/326068849.db2.gz XVYSRCFKLZKRAC-UHFFFAOYSA-N -1 1 374.509 2.215 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119822631 326202220 /nfs/dbraw/zinc/20/22/20/326202220.db2.gz FDMANESYCRHXSJ-INIZCTEOSA-N -1 1 374.462 2.186 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)[nH]n1 ZINC000119891295 326209895 /nfs/dbraw/zinc/20/98/95/326209895.db2.gz XNLDWTHOULPLBJ-CYBMUJFWSA-N -1 1 364.409 2.340 20 0 FEADMM Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000120454501 326260013 /nfs/dbraw/zinc/26/00/13/326260013.db2.gz JVMZUQFGCCJIRJ-IBGZPJMESA-N -1 1 369.421 2.178 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CCO)C2CC2)cc1 ZINC000122315595 326392146 /nfs/dbraw/zinc/39/21/46/326392146.db2.gz HMAYNIDPIZRWRV-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cn1 ZINC000122513989 326399584 /nfs/dbraw/zinc/39/95/84/326399584.db2.gz AXXLDQJAACTKON-UHFFFAOYSA-N -1 1 355.391 2.315 20 0 FEADMM C[C@H](CCO)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123254548 326425459 /nfs/dbraw/zinc/42/54/59/326425459.db2.gz KRSWCFMIICPSHE-KDOFPFPSSA-N -1 1 370.449 2.285 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000131272566 326571345 /nfs/dbraw/zinc/57/13/45/326571345.db2.gz MPLVVPIUBZHRTD-UHFFFAOYSA-N -1 1 362.835 2.249 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NCc1ccccc1 ZINC000131318848 326572574 /nfs/dbraw/zinc/57/25/74/326572574.db2.gz QEQUDSIIAVNIMU-LLVKDONJSA-N -1 1 370.833 2.462 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(-c4ncco4)c3)cc2[nH]1 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ZINC000170708332 327094929 /nfs/dbraw/zinc/09/49/29/327094929.db2.gz CKUXYGZAIWYLAZ-UHFFFAOYSA-N -1 1 363.439 2.369 20 0 FEADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000170995550 327111242 /nfs/dbraw/zinc/11/12/42/327111242.db2.gz QTLVHQXYPMRDNN-UHFFFAOYSA-N -1 1 357.819 2.278 20 0 FEADMM O=C(Cn1cccn1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000171017192 327112827 /nfs/dbraw/zinc/11/28/27/327112827.db2.gz HDXSCWPRFHRXEL-UHFFFAOYSA-N -1 1 370.434 2.000 20 0 FEADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc4[nH]ccc4c3)cc2C1=O ZINC000171955681 327172489 /nfs/dbraw/zinc/17/24/89/327172489.db2.gz URYCFPZVARJGAJ-UHFFFAOYSA-N -1 1 355.375 2.195 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)o1 ZINC000172851705 327222679 /nfs/dbraw/zinc/22/26/79/327222679.db2.gz IJJMHZRHDAYHGH-CYBMUJFWSA-N -1 1 350.440 2.166 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1 ZINC000172889445 327225012 /nfs/dbraw/zinc/22/50/12/327225012.db2.gz XYSVSYXZKOXOOX-UHFFFAOYSA-N -1 1 353.444 2.467 20 0 FEADMM CSC1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCOCC1 ZINC000173569423 327267572 /nfs/dbraw/zinc/26/75/72/327267572.db2.gz JZHMDRNIBSBLSR-UHFFFAOYSA-N -1 1 355.403 2.294 20 0 FEADMM O=C(CN1CCOc2ccc(Cl)cc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000174210313 327313313 /nfs/dbraw/zinc/31/33/13/327313313.db2.gz JGKFIJJAUPPIAL-UHFFFAOYSA-N -1 1 361.711 2.314 20 0 FEADMM O=C(NCc1ccccc1OCCN1CCOCC1)c1cc(F)ccc1[O-] ZINC000175208681 327379916 /nfs/dbraw/zinc/37/99/16/327379916.db2.gz LNKYDXZJADBGOI-UHFFFAOYSA-N -1 1 374.412 2.172 20 0 FEADMM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1cc(F)ccc1[O-])C2 ZINC000175207952 327380043 /nfs/dbraw/zinc/38/00/43/327380043.db2.gz MHDLMHLAJDLYQQ-UHFFFAOYSA-N -1 1 364.398 2.101 20 0 FEADMM O=C1N[C@H](c2cc(F)c([O-])c(F)c2)Nc2ccc(N3CCOCC3)cc21 ZINC000175926967 327421871 /nfs/dbraw/zinc/42/18/71/327421871.db2.gz HZUMWPWHDFYTQI-QGZVFWFLSA-N -1 1 361.348 2.361 20 0 FEADMM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000176212651 327440855 /nfs/dbraw/zinc/44/08/55/327440855.db2.gz 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329284761 /nfs/dbraw/zinc/28/47/61/329284761.db2.gz RSSSTMJUOFGKBV-UHFFFAOYSA-N -1 1 370.475 2.199 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCS1 ZINC000267051148 329286553 /nfs/dbraw/zinc/28/65/53/329286553.db2.gz GEGKCUNWYNOUQK-GFCCVEGCSA-N -1 1 373.500 2.426 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ncccc2C(F)(F)F)n1)N1CCCC1 ZINC000268936579 329470078 /nfs/dbraw/zinc/47/00/78/329470078.db2.gz DSDFNFRQIIIRGD-UHFFFAOYSA-N -1 1 361.349 2.039 20 0 FEADMM COCCC1(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000269114278 329487051 /nfs/dbraw/zinc/48/70/51/329487051.db2.gz LUKQMJVMEBDPPI-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000270927779 329646078 /nfs/dbraw/zinc/64/60/78/329646078.db2.gz PTUMVLWEIISPPH-GFCCVEGCSA-N -1 1 363.439 2.257 20 0 FEADMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000273075688 329835029 /nfs/dbraw/zinc/83/50/29/329835029.db2.gz KCRZGCFJZBIJTD-SFYZADRCSA-N -1 1 355.243 2.254 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2ncc(F)cn2)CC1 ZINC000274217314 329927463 /nfs/dbraw/zinc/92/74/63/329927463.db2.gz OFUJPBXFTVFRKD-UHFFFAOYSA-N -1 1 370.306 2.303 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1cccc(C)c1C ZINC000276190876 330127663 /nfs/dbraw/zinc/12/76/63/330127663.db2.gz LWQCMPVXNDHAKF-VNQPRFMTSA-N -1 1 355.456 2.004 20 0 FEADMM CC[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@]2(CCOC2)O1 ZINC000373644816 330248145 /nfs/dbraw/zinc/24/81/45/330248145.db2.gz APOSQOMRFDADDS-DJJJIMSYSA-N -1 1 357.410 2.054 20 0 FEADMM CC[C@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@]2(CCOC2)O1 ZINC000373644816 330248147 /nfs/dbraw/zinc/24/81/47/330248147.db2.gz APOSQOMRFDADDS-DJJJIMSYSA-N -1 1 357.410 2.054 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)c2=O ZINC000375777881 330250120 /nfs/dbraw/zinc/25/01/20/330250120.db2.gz VTSGZUXHAZYDSN-KHYOSLBOSA-N -1 1 358.442 2.220 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)o1 ZINC000440846217 330276678 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C[C@H]1CCN(CC(=O)Nc2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805786052 674353940 /nfs/dbraw/zinc/35/39/40/674353940.db2.gz RXVWLCKTBVOFNV-HUBLWGQQSA-N -1 1 357.376 2.403 20 0 FEADMM O=S(=O)([N-][C@H]1CCC[C@H](CO)C1)c1sccc1Br ZINC000310730512 553753675 /nfs/dbraw/zinc/75/36/75/553753675.db2.gz MPFSWTRBQNPEGX-IUCAKERBSA-N -1 1 354.291 2.340 20 0 FEADMM CCOC(=O)Cc1n[n-]c(=NC(=O)NCc2nc3cccc(C)c3[nH]2)s1 ZINC000500061905 538874381 /nfs/dbraw/zinc/87/43/81/538874381.db2.gz IYJSQJUIQYXGQN-UHFFFAOYSA-N -1 1 374.426 2.150 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C12CCCCC2 ZINC000477347856 561142803 /nfs/dbraw/zinc/14/28/03/561142803.db2.gz HBYOWSORXOBMLZ-VXGBXAGGSA-N -1 1 365.430 2.096 20 0 FEADMM Cc1nc(COc2ccccc2C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cs1 ZINC000478599408 561170673 /nfs/dbraw/zinc/17/06/73/561170673.db2.gz GQZFLMWIEIBJFX-LLVKDONJSA-N -1 1 372.454 2.419 20 0 FEADMM CCCc1nc2ccccc2n1CCC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000478603396 561170756 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O=C1N[C@@H](c2cc(F)c([O-])c(F)c2)Nc2ccc(N3CCOCC3)cc21 ZINC000175926985 546372933 /nfs/dbraw/zinc/37/29/33/546372933.db2.gz HZUMWPWHDFYTQI-KRWDZBQOSA-N -1 1 361.348 2.361 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)o1 ZINC000480076521 561202469 /nfs/dbraw/zinc/20/24/69/561202469.db2.gz XTCOKXDNGZFNFJ-LBPRGKRZSA-N -1 1 369.370 2.398 20 0 FEADMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CCO1 ZINC000480072740 561202493 /nfs/dbraw/zinc/20/24/93/561202493.db2.gz PZHLIIJRHOZAPR-GXTWGEPZSA-N -1 1 359.444 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)o1 ZINC000176145088 546413619 /nfs/dbraw/zinc/41/36/19/546413619.db2.gz HHBOGRGVUXFQJA-LLVKDONJSA-N -1 1 354.350 2.039 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)CN(C)C)s1 ZINC000176841200 546495180 /nfs/dbraw/zinc/49/51/80/546495180.db2.gz KRJVONDLIBNZED-HNNXBMFYSA-N -1 1 353.513 2.211 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCc3cc(F)c(F)cc32)ccc1[O-] ZINC000480685733 561214373 /nfs/dbraw/zinc/21/43/73/561214373.db2.gz CCAMMIGIZSSCJU-UHFFFAOYSA-N -1 1 368.361 2.380 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)o1 ZINC000177326582 546595547 /nfs/dbraw/zinc/59/55/47/546595547.db2.gz AGJVFOWHEAZKKF-NSHDSACASA-N -1 1 372.468 2.099 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H](C)O)cc2)cc1 ZINC000177412620 546612704 /nfs/dbraw/zinc/61/27/04/546612704.db2.gz MTAKHSJDPTUVNP-CQSZACIVSA-N -1 1 362.451 2.249 20 0 FEADMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000177421979 546614072 /nfs/dbraw/zinc/61/40/72/546614072.db2.gz GOZAGKAADPKFJE-UHFFFAOYSA-N -1 1 353.422 2.264 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000179541344 546973994 /nfs/dbraw/zinc/97/39/94/546973994.db2.gz ZVYHLJFKZUMAKB-STQMWFEESA-N -1 1 366.826 2.435 20 0 FEADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc21 ZINC000179886593 547024798 /nfs/dbraw/zinc/02/47/98/547024798.db2.gz OLXLBHMLELAMJN-UHFFFAOYSA-N -1 1 373.434 2.187 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179948960 547032777 /nfs/dbraw/zinc/03/27/77/547032777.db2.gz CVJQMAJBFGMPFG-HNNXBMFYSA-N -1 1 374.828 2.033 20 0 FEADMM COc1cc(F)cc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000180250209 547072874 /nfs/dbraw/zinc/07/28/74/547072874.db2.gz OTEYHXPCYBAPQJ-UHFFFAOYSA-N -1 1 372.400 2.448 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3n[nH]c(=O)n3c2)c1 ZINC000482533777 561255707 /nfs/dbraw/zinc/25/57/07/561255707.db2.gz MAEAHLDMYPLQBV-UHFFFAOYSA-N -1 1 363.171 2.464 20 0 FEADMM O=C(N[C@H]1CCCOCC1)c1cc(I)ccc1[O-] ZINC000180981451 547223353 /nfs/dbraw/zinc/22/33/53/547223353.db2.gz DMFHJZDXTCKTIZ-JTQLQIEISA-N -1 1 361.179 2.296 20 0 FEADMM O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000180986200 547224647 /nfs/dbraw/zinc/22/46/47/547224647.db2.gz LOKRJARJWLZPAO-CVEARBPZSA-N -1 1 371.343 2.461 20 0 FEADMM C[C@@H](O)[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000181009566 547229361 /nfs/dbraw/zinc/22/93/61/547229361.db2.gz ZVCRQMZMHNKTPQ-GDBMZVCRSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@H](O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000181072395 547242486 /nfs/dbraw/zinc/24/24/86/547242486.db2.gz ZHWVSEITJKAVJF-GOEBONIOSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1-n1cnnn1 ZINC000181088364 547246711 /nfs/dbraw/zinc/24/67/11/547246711.db2.gz GHKNTODXWMZQHR-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181161561 547260750 /nfs/dbraw/zinc/26/07/50/547260750.db2.gz GHWIMUKZTNOKMA-LLVKDONJSA-N -1 1 366.414 2.273 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1 ZINC000181159538 547260917 /nfs/dbraw/zinc/26/09/17/547260917.db2.gz QCZPORDBYXLRNT-UHFFFAOYSA-N -1 1 359.451 2.182 20 0 FEADMM COc1cc(NC(=O)N2CCOC(C)(C)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000483366669 561275062 /nfs/dbraw/zinc/27/50/62/561275062.db2.gz ODSBVFYRGFXNTH-NSHDSACASA-N -1 1 371.459 2.098 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000181661366 547355311 /nfs/dbraw/zinc/35/53/11/547355311.db2.gz VXCYLENAABRAOZ-UHFFFAOYSA-N -1 1 356.350 2.230 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1nn[n-]n1 ZINC000182149517 547444817 /nfs/dbraw/zinc/44/48/17/547444817.db2.gz SHMDSNWIUOHRKN-LDYMZIIASA-N -1 1 373.383 2.336 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000182430764 547491827 /nfs/dbraw/zinc/49/18/27/547491827.db2.gz RFEUTVJAPHOQBJ-AWEZNQCLSA-N -1 1 353.353 2.356 20 0 FEADMM COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cccc(O)c3)C2)cc(OC)c1 ZINC000182587724 547517741 /nfs/dbraw/zinc/51/77/41/547517741.db2.gz FGWJNUPYKBFGFO-MRXNPFEDSA-N -1 1 356.422 2.414 20 0 FEADMM O=c1cc(CN2CCNC(=O)[C@@H]2c2ccccc2)c2ccc([O-])cc2o1 ZINC000182669446 547530325 /nfs/dbraw/zinc/53/03/25/547530325.db2.gz SGJDTIOCPXOIFM-IBGZPJMESA-N -1 1 350.374 2.172 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)cn1 ZINC000182875085 547564489 /nfs/dbraw/zinc/56/44/89/547564489.db2.gz UKKPDMVNSDVYNA-LLVKDONJSA-N -1 1 355.288 2.280 20 0 FEADMM C[C@@H](CN(C)C(=O)C=Cc1csc(Br)c1)c1nn[n-]n1 ZINC000183406872 547652879 /nfs/dbraw/zinc/65/28/79/547652879.db2.gz IRZMXQUWBZOKMR-RTMURIBGSA-N -1 1 356.249 2.299 20 0 FEADMM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183433145 547657602 /nfs/dbraw/zinc/65/76/02/547657602.db2.gz CMCLKMXSDDMEJY-SNVBAGLBSA-N -1 1 359.821 2.223 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)oc1C ZINC000484524107 561299063 /nfs/dbraw/zinc/29/90/63/561299063.db2.gz WWRAYWHRVBWEKR-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000183726455 547708658 /nfs/dbraw/zinc/70/86/58/547708658.db2.gz GABBDKABRCLSOW-UHFFFAOYSA-N -1 1 366.425 2.424 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)co1 ZINC000183995352 547750411 /nfs/dbraw/zinc/75/04/11/547750411.db2.gz YSAZKOTVVIHLAQ-GOSISDBHSA-N -1 1 362.451 2.425 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000485040183 561311140 /nfs/dbraw/zinc/31/11/40/561311140.db2.gz AAFOBPAQJNCLNF-UHFFFAOYSA-N -1 1 359.411 2.293 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1(O)CCC1 ZINC000184737442 547873081 /nfs/dbraw/zinc/87/30/81/547873081.db2.gz ATEGUDALTSCVSK-UHFFFAOYSA-N -1 1 360.435 2.019 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1C ZINC000485099864 561312482 /nfs/dbraw/zinc/31/24/82/561312482.db2.gz LSUWZXRKVIBYPU-UHFFFAOYSA-N -1 1 363.391 2.354 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCC(C)CC1 ZINC000184916289 547900211 /nfs/dbraw/zinc/90/02/11/547900211.db2.gz CMNNDEVDOYRGLX-UHFFFAOYSA-N -1 1 374.890 2.357 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc(Cl)c1[O-] ZINC000186714562 548179746 /nfs/dbraw/zinc/17/97/46/548179746.db2.gz XXRYZLKJXMBJPO-LBPRGKRZSA-N -1 1 354.834 2.433 20 0 FEADMM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000186862622 548207659 /nfs/dbraw/zinc/20/76/59/548207659.db2.gz XEWXZJGMHGNAPR-QFYYESIMSA-N -1 1 369.343 2.137 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000194032325 548425413 /nfs/dbraw/zinc/42/54/13/548425413.db2.gz VBKFSMGWTFZKBX-UHFFFAOYSA-N -1 1 360.313 2.311 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)o1 ZINC000194036610 548426593 /nfs/dbraw/zinc/42/65/93/548426593.db2.gz MTOVUWNJLDMWPI-QWHCGFSZSA-N -1 1 353.371 2.430 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC3CCN(C(=O)C(C)C)CC3)cnc2n1 ZINC000194128124 548438305 /nfs/dbraw/zinc/43/83/05/548438305.db2.gz LTTNMTMWOOXDBQ-UHFFFAOYSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC1CCN(C(=O)C(C)C)CC1)c2=O ZINC000194128124 548438309 /nfs/dbraw/zinc/43/83/09/548438309.db2.gz LTTNMTMWOOXDBQ-UHFFFAOYSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2nc(CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[nH]c2c1 ZINC000194244814 548454791 /nfs/dbraw/zinc/45/47/91/548454791.db2.gz TYTHGIGPJGCUKJ-ZDUSSCGKSA-N -1 1 356.348 2.191 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2nnc([C@@H](C)CC)[nH]2)o1 ZINC000486605915 561352126 /nfs/dbraw/zinc/35/21/26/561352126.db2.gz POWLIWQHSPUQNF-VHSXEESVSA-N -1 1 370.431 2.127 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@H](CC)c2ccc(Cl)cc2)n[n-]1 ZINC000195053258 548570272 /nfs/dbraw/zinc/57/02/72/548570272.db2.gz IGOFBQLLQYGMCE-GFCCVEGCSA-N -1 1 370.862 2.062 20 0 FEADMM CCCc1noc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)n1 ZINC000195115387 548579667 /nfs/dbraw/zinc/57/96/67/548579667.db2.gz SMFNAJQKJXGRIA-UHFFFAOYSA-N -1 1 367.818 2.435 20 0 FEADMM CCCc1noc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000195115387 548579670 /nfs/dbraw/zinc/57/96/70/548579670.db2.gz SMFNAJQKJXGRIA-UHFFFAOYSA-N -1 1 367.818 2.435 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000195289791 548613743 /nfs/dbraw/zinc/61/37/43/548613743.db2.gz MULKGMANVXPXRI-ZDUSSCGKSA-N -1 1 370.434 2.196 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nnc(Cc2ccccc2)[n-]1 ZINC000195289791 548613744 /nfs/dbraw/zinc/61/37/44/548613744.db2.gz MULKGMANVXPXRI-ZDUSSCGKSA-N -1 1 370.434 2.196 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)c1n[n-]c(Cc2ccccc2)n1 ZINC000195289791 548613745 /nfs/dbraw/zinc/61/37/45/548613745.db2.gz MULKGMANVXPXRI-ZDUSSCGKSA-N -1 1 370.434 2.196 20 0 FEADMM CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000487112607 561364013 /nfs/dbraw/zinc/36/40/13/561364013.db2.gz FDQCEFDSIRCIOC-LLVKDONJSA-N -1 1 355.398 2.262 20 0 FEADMM C[C@H]1C[C@H](O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487425262 561369606 /nfs/dbraw/zinc/36/96/06/561369606.db2.gz FPBGHZCWJNGYML-IUCAKERBSA-N -1 1 351.200 2.298 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)CC[N@@H+]1C ZINC000230897115 548761375 /nfs/dbraw/zinc/76/13/75/548761375.db2.gz JURCYGDVSXKQRY-ONGXEEELSA-N -1 1 374.222 2.209 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)n[nH]2)cc1 ZINC000237700933 548845794 /nfs/dbraw/zinc/84/57/94/548845794.db2.gz QKHQJZDWESDBAN-HNNXBMFYSA-N -1 1 357.410 2.481 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)o1 ZINC000246326254 549106621 /nfs/dbraw/zinc/10/66/21/549106621.db2.gz TYTKWDUZYRHFPL-IAOVAPTHSA-N -1 1 361.419 2.463 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2cc(F)c(C(F)(F)F)cc2F)[n-]1 ZINC000488949606 561400197 /nfs/dbraw/zinc/40/01/97/561400197.db2.gz CWSCEUNAOMLAGO-UHFFFAOYSA-N -1 1 371.287 2.222 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2cc(F)c(C(F)(F)F)cc2F)n[n-]1 ZINC000488949606 561400198 /nfs/dbraw/zinc/40/01/98/561400198.db2.gz CWSCEUNAOMLAGO-UHFFFAOYSA-N -1 1 371.287 2.222 20 0 FEADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n[nH]1 ZINC000489206439 561405657 /nfs/dbraw/zinc/40/56/57/561405657.db2.gz PHSRRAYNCAKOKF-VHSXEESVSA-N -1 1 356.386 2.153 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)c2ccc(Cl)cc2)no1 ZINC000248902505 549525286 /nfs/dbraw/zinc/52/52/86/549525286.db2.gz HMLLOCYOFQXMMG-QCZZGDTMSA-N -1 1 371.846 2.218 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC(C(=O)[O-])CC3)n[nH]2)cc1OC ZINC000263039737 549873192 /nfs/dbraw/zinc/87/31/92/549873192.db2.gz DMTFPQVHLLPFSX-UHFFFAOYSA-N -1 1 359.382 2.031 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)n[nH]2)cc1OC ZINC000263203911 549885545 /nfs/dbraw/zinc/88/55/45/549885545.db2.gz MTLFZKNFARJMHP-DGCLKSJQSA-N -1 1 373.409 2.419 20 0 FEADMM Cc1cc2cn[nH]c2c(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c1 ZINC000263243205 549888710 /nfs/dbraw/zinc/88/87/10/549888710.db2.gz UHWSDDMHLZSLTK-PBHICJAKSA-N -1 1 357.410 2.213 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC000263372409 549898300 /nfs/dbraw/zinc/89/83/00/549898300.db2.gz VTAHZJFBCZAKTB-XNRPHZJLSA-N -1 1 351.422 2.181 20 0 FEADMM CCc1nc([C@H](C)NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263513223 549906165 /nfs/dbraw/zinc/90/61/65/549906165.db2.gz ZNAWNICCLHVHDC-JSGCOSHPSA-N -1 1 359.430 2.203 20 0 FEADMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000490645205 561436546 /nfs/dbraw/zinc/43/65/46/561436546.db2.gz PEQVHZUGMIYYQT-UHFFFAOYSA-N -1 1 354.428 2.369 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCOC1)c1cc(Br)c(F)cc1F ZINC000264077149 549976193 /nfs/dbraw/zinc/97/61/93/549976193.db2.gz NJQOHQAIZCLZGM-ZETCQYMHSA-N -1 1 356.188 2.042 20 0 FEADMM CCC(CC)(CCO)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000268586237 550090651 /nfs/dbraw/zinc/09/06/51/550090651.db2.gz ODNXDDPTJNHTEE-UHFFFAOYSA-N -1 1 372.469 2.400 20 0 FEADMM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000492193489 561450050 /nfs/dbraw/zinc/45/00/50/561450050.db2.gz AFLJGMHATSJOIE-UHFFFAOYSA-N -1 1 354.775 2.169 20 0 FEADMM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000492193489 561450051 /nfs/dbraw/zinc/45/00/51/561450051.db2.gz AFLJGMHATSJOIE-UHFFFAOYSA-N -1 1 354.775 2.169 20 0 FEADMM C[C@@H](CCO)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000269442326 550195972 /nfs/dbraw/zinc/19/59/72/550195972.db2.gz JNULLGNIEGQXCO-AWEZNQCLSA-N -1 1 362.451 2.236 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)c1ccccc1 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Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000508135018 561753038 /nfs/dbraw/zinc/75/30/38/561753038.db2.gz LPYKVUGWUBAUKF-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc2c(=O)cc[nH]c2c1 ZINC000508195036 561754819 /nfs/dbraw/zinc/75/48/19/561754819.db2.gz QIFRDJDSPZLTGG-UHFFFAOYSA-N -1 1 363.377 2.074 20 0 FEADMM C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000331016686 554201102 /nfs/dbraw/zinc/20/11/02/554201102.db2.gz ZOQUSZCWDXJPAE-QWHCGFSZSA-N -1 1 372.487 2.122 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCOCC1 ZINC000331227069 554233703 /nfs/dbraw/zinc/23/37/03/554233703.db2.gz NSMZRJWLNGVHPQ-VIFPVBQESA-N -1 1 371.261 2.132 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCS1 ZINC000331251165 554236318 /nfs/dbraw/zinc/23/63/18/554236318.db2.gz XDFBVGISVDOOMX-NSHDSACASA-N -1 1 360.501 2.324 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)o1 ZINC000331374256 554253220 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Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)c1 ZINC000509652409 561809000 /nfs/dbraw/zinc/80/90/00/561809000.db2.gz PMMWXDKCQPBJSK-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM CN1C(=O)Cc2cc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)ccc21 ZINC000509485145 561801657 /nfs/dbraw/zinc/80/16/57/561801657.db2.gz USIBKNIYZZQBMN-UHFFFAOYSA-N -1 1 360.373 2.412 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)o1 ZINC000332147256 554390047 /nfs/dbraw/zinc/39/00/47/554390047.db2.gz PDYDQUKFNQJHRO-UHFFFAOYSA-N -1 1 352.416 2.211 20 0 FEADMM O=C(COc1ccc(F)cc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332223893 554404464 /nfs/dbraw/zinc/40/44/64/554404464.db2.gz WUOZKTNIFUWSQS-SECBINFHSA-N -1 1 355.753 2.353 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(Cc1ccco1)Cc1ccccc1 ZINC000509916802 561818431 /nfs/dbraw/zinc/81/84/31/561818431.db2.gz CCJMHHTVGDEHMN-UHFFFAOYSA-N -1 1 365.389 2.339 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC(C)(C)O ZINC000509993517 561821187 /nfs/dbraw/zinc/82/11/87/561821187.db2.gz UZRODMLZJYACBU-UHFFFAOYSA-N -1 1 370.254 2.219 20 0 FEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc3[nH]c(=O)ccc3c1)OCO2 ZINC000510125113 561825814 /nfs/dbraw/zinc/82/58/14/561825814.db2.gz OJWXNRYNPDUVDM-UHFFFAOYSA-N -1 1 358.375 2.366 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC(C)(C)OC[C@@H]1C ZINC000332545228 554468915 /nfs/dbraw/zinc/46/89/15/554468915.db2.gz MIILWNVBZULLOT-LBPRGKRZSA-N -1 1 356.426 2.121 20 0 FEADMM Cn1c(=O)[nH]c2ccc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)cc21 ZINC000510125832 561826062 /nfs/dbraw/zinc/82/60/62/561826062.db2.gz UVXQXGZVYFAZID-UHFFFAOYSA-N -1 1 361.361 2.485 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@H](C)OC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510557555 561838859 /nfs/dbraw/zinc/83/88/59/561838859.db2.gz FUWMIASARQFDIF-XHDPSFHLSA-N -1 1 363.863 2.073 20 0 FEADMM CCN(C(=O)CNC(=O)c1ncccc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000510793142 561846698 /nfs/dbraw/zinc/84/66/98/561846698.db2.gz WRDNVNIVJKQWKV-AWEZNQCLSA-N -1 1 371.437 2.005 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1Br ZINC000611774820 554679191 /nfs/dbraw/zinc/67/91/91/554679191.db2.gz UPWMSCLHVAWGMN-FXPVBKGRSA-N -1 1 369.263 2.368 20 0 FEADMM CC[C@@H]1NC(=O)N(Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1=O ZINC000348789197 554699662 /nfs/dbraw/zinc/69/96/62/554699662.db2.gz CLDOYVYRADZTEC-HNNXBMFYSA-N -1 1 373.434 2.318 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2ccncn2)no1 ZINC000349652315 554735647 /nfs/dbraw/zinc/73/56/47/554735647.db2.gz OKUYPUGZFGPVOX-UHFFFAOYSA-N -1 1 361.365 2.178 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cncs3)no2)o1 ZINC000350493782 554792792 /nfs/dbraw/zinc/79/27/92/554792792.db2.gz RGIHUZBBILYAFK-UHFFFAOYSA-N -1 1 368.440 2.454 20 0 FEADMM CCc1nn(C)cc1-c1noc(CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC000350545462 554796726 /nfs/dbraw/zinc/79/67/26/554796726.db2.gz VPVPMHVAGRPQGW-UHFFFAOYSA-N -1 1 360.443 2.344 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2cscn2)no1 ZINC000350545033 554796761 /nfs/dbraw/zinc/79/67/61/554796761.db2.gz MUWYAULVVFMBMS-UHFFFAOYSA-N -1 1 352.379 2.238 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(CC(=O)NCc3ccccc3)no2)c1 ZINC000350579727 554800016 /nfs/dbraw/zinc/80/00/16/554800016.db2.gz XTTZXARKCOEMOR-UHFFFAOYSA-N -1 1 366.377 2.260 20 0 FEADMM CNS(=O)(=O)c1csc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350812333 554815344 /nfs/dbraw/zinc/81/53/44/554815344.db2.gz KRNRNQAVAXIRMS-UHFFFAOYSA-N -1 1 355.372 2.218 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCO[C@H]2CCC[C@@H]21 ZINC000360128362 554863608 /nfs/dbraw/zinc/86/36/08/554863608.db2.gz GGFYCSTZMWXPGX-IRXDYDNUSA-N -1 1 368.437 2.265 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)o1 ZINC000360141159 554864526 /nfs/dbraw/zinc/86/45/26/554864526.db2.gz OLIYYMWXYCTMSH-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM O=C(CCc1ccccc1OC(F)(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362781776 554988105 /nfs/dbraw/zinc/98/81/05/554988105.db2.gz PJULYZRCQLCJKC-LBPRGKRZSA-N -1 1 369.347 2.437 20 0 FEADMM CCCc1nc([C@H]([N-]S(=O)(=O)c2cccnc2)c2ccccc2)no1 ZINC000362931492 555000318 /nfs/dbraw/zinc/00/03/18/555000318.db2.gz JXABEMXWFANRLP-MRXNPFEDSA-N -1 1 358.423 2.485 20 0 FEADMM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc([O-])c(Cl)c1)C2=O ZINC000362958177 555002897 /nfs/dbraw/zinc/00/28/97/555002897.db2.gz OIEJETSRCJXDRG-UHFFFAOYSA-N -1 1 365.817 2.485 20 0 FEADMM COc1cc(C)cc2c1OCC[C@@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000363196752 555051153 /nfs/dbraw/zinc/05/11/53/555051153.db2.gz VITAUZNJEHQWBM-HNNXBMFYSA-N -1 1 365.389 2.494 20 0 FEADMM CC[C@@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000363365712 555087071 /nfs/dbraw/zinc/08/70/71/555087071.db2.gz QKSDGIPVJBMBTA-CHWSQXEVSA-N -1 1 369.347 2.312 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1)c2=O ZINC000512064719 561890855 /nfs/dbraw/zinc/89/08/55/561890855.db2.gz RIEIHDIRZNEAFF-SUMWQHHRSA-N -1 1 352.394 2.182 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1C(=O)[O-] ZINC000364127643 555255601 /nfs/dbraw/zinc/25/56/01/555255601.db2.gz ZQIMYZUJFBSNKY-AWEZNQCLSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2cccc(CO)c2)c1Br ZINC000616005839 555262602 /nfs/dbraw/zinc/26/26/02/555262602.db2.gz CSSPRPQOVYFSMB-VIFPVBQESA-N -1 1 354.204 2.379 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cc(C(F)(F)F)nn2C)c1Br ZINC000616003913 555262691 /nfs/dbraw/zinc/26/26/91/555262691.db2.gz SAKMUUKPOYMFHS-UHFFFAOYSA-N -1 1 352.114 2.485 20 0 FEADMM Cn1cc([C@@H]2[C@H](CN=c3[n-]nc(C(F)(F)F)s3)CCCN2C)cn1 ZINC000364904427 555432111 /nfs/dbraw/zinc/43/21/11/555432111.db2.gz HOPXVYOITQSUIS-ONGXEEELSA-N -1 1 360.409 2.785 20 0 FEADMM NC(=O)c1cc(Cl)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364949089 555447297 /nfs/dbraw/zinc/44/72/97/555447297.db2.gz LNTNEGHQDMBNOB-UHFFFAOYSA-N -1 1 360.801 2.034 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000365215403 555512736 /nfs/dbraw/zinc/51/27/36/555512736.db2.gz DLMBSZYHCGLAJR-CYBMUJFWSA-N -1 1 370.377 2.443 20 0 FEADMM [O-]c1ccc(-c2noc(CCc3nc(-c4ncccn4)no3)n2)cc1F ZINC000365751459 555659512 /nfs/dbraw/zinc/65/95/12/555659512.db2.gz CFLHCKJBFBTQHY-UHFFFAOYSA-N -1 1 354.301 2.207 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1C ZINC000365836395 555679123 /nfs/dbraw/zinc/67/91/23/555679123.db2.gz PBSCNPFBUKZLAH-UHFFFAOYSA-N -1 1 364.406 2.245 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccc(O)cc1 ZINC000365910719 555698928 /nfs/dbraw/zinc/69/89/28/555698928.db2.gz ZYYIPHWXGAXFIY-UHFFFAOYSA-N -1 1 364.405 2.459 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1nn[n-]n1 ZINC000366001916 555724037 /nfs/dbraw/zinc/72/40/37/555724037.db2.gz PHBPRELYVCKUGB-SNVBAGLBSA-N -1 1 357.805 2.186 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCC(CN2CCCC2=O)CC1 ZINC000366039752 555733919 /nfs/dbraw/zinc/73/39/19/555733919.db2.gz HBAJGFOCQZQKKI-UHFFFAOYSA-N -1 1 353.422 2.415 20 0 FEADMM CSc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(Cl)cc1Cl ZINC000366184627 555774924 /nfs/dbraw/zinc/77/49/24/555774924.db2.gz WLKROCJBIRCDJS-SNVBAGLBSA-N -1 1 374.253 2.442 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@]4(CCO[C@H](C)C4)C3)cnc2n1 ZINC000366657757 555901253 /nfs/dbraw/zinc/90/12/53/555901253.db2.gz WKIJGZKZZGVDHK-CKNLXJGOSA-N -1 1 371.437 2.442 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@]3(CCO[C@H](C)C3)C1)c2=O ZINC000366657757 555901254 /nfs/dbraw/zinc/90/12/54/555901254.db2.gz WKIJGZKZZGVDHK-CKNLXJGOSA-N -1 1 371.437 2.442 20 0 FEADMM CCOc1ccccc1OCCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366663927 555902889 /nfs/dbraw/zinc/90/28/89/555902889.db2.gz RNKQFVNTTVMBNC-AWEZNQCLSA-N -1 1 359.430 2.164 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1CCC(=O)C1 ZINC000514605486 561969503 /nfs/dbraw/zinc/96/95/03/561969503.db2.gz MQWZXHRYQGZIIS-CQSZACIVSA-N -1 1 372.446 2.473 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000367392117 556036219 /nfs/dbraw/zinc/03/62/19/556036219.db2.gz MDJLSCSLOFFNBN-ADNNSEGNSA-N -1 1 369.387 2.489 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)o1 ZINC000531912153 562461106 /nfs/dbraw/zinc/46/11/06/562461106.db2.gz CTFCQBGIEMCRDW-LBPRGKRZSA-N -1 1 351.380 2.177 20 0 FEADMM CCC[C@@H](C)[C@@H](CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000514791402 561979924 /nfs/dbraw/zinc/97/99/24/561979924.db2.gz RAQSYKZOPNZZFK-MLGOLLRUSA-N -1 1 358.442 2.008 20 0 FEADMM CCOc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000367718374 556122603 /nfs/dbraw/zinc/12/26/03/556122603.db2.gz YHVDHNOUYBDBRV-KGLIPLIRSA-N -1 1 355.818 2.464 20 0 FEADMM COc1ccc2c(c1)ncc(C(=O)N=c1ccn(C3CCOCC3)[nH]1)c2[O-] ZINC000622174314 556240767 /nfs/dbraw/zinc/24/07/67/556240767.db2.gz ZHLLPAKOCWKPJG-UHFFFAOYSA-N -1 1 368.393 2.337 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccnc(F)c1 ZINC000368504065 556328970 /nfs/dbraw/zinc/32/89/70/556328970.db2.gz SSAAEDZBRMPMLR-LBPRGKRZSA-N -1 1 350.716 2.046 20 0 FEADMM CCO[C@@H]1C[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000515364116 562007163 /nfs/dbraw/zinc/00/71/63/562007163.db2.gz WJNYKAUAWPYBDW-IAGOWNOFSA-N -1 1 360.435 2.395 20 0 FEADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1 ZINC000515382043 562008390 /nfs/dbraw/zinc/00/83/90/562008390.db2.gz XTVCJGIWTWTENZ-INIZCTEOSA-N -1 1 354.472 2.335 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1ccc(Cl)nc1 ZINC000368777314 556410745 /nfs/dbraw/zinc/41/07/45/556410745.db2.gz LXGJDFWSUKSIQI-UHFFFAOYSA-N -1 1 369.812 2.048 20 0 FEADMM COCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000515989369 562027220 /nfs/dbraw/zinc/02/72/20/562027220.db2.gz UZVWGMPDKJTMBK-UHFFFAOYSA-N -1 1 366.414 2.345 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2CCCCS2)n[n-]1 ZINC000516080382 562030251 /nfs/dbraw/zinc/03/02/51/562030251.db2.gz GPDVHIMXNKZIOY-NWDGAFQWSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2CCCCS2)[n-]1 ZINC000516080382 562030253 /nfs/dbraw/zinc/03/02/53/562030253.db2.gz GPDVHIMXNKZIOY-NWDGAFQWSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2CCCCS2)n1 ZINC000516080382 562030255 /nfs/dbraw/zinc/03/02/55/562030255.db2.gz GPDVHIMXNKZIOY-NWDGAFQWSA-N -1 1 354.476 2.471 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000369571664 556634588 /nfs/dbraw/zinc/63/45/88/556634588.db2.gz UARCTFWVPXKINL-AWEZNQCLSA-N -1 1 356.426 2.169 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC12CCC2 ZINC000369642189 556655868 /nfs/dbraw/zinc/65/58/68/556655868.db2.gz WTBPQZYEETYDPL-GFCCVEGCSA-N -1 1 361.442 2.203 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2nc(CC)oc2C)n[n-]1 ZINC000516486448 562044718 /nfs/dbraw/zinc/04/47/18/562044718.db2.gz PNUDMHWQDSHLTP-NSHDSACASA-N -1 1 363.418 2.357 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2nc(CC)oc2C)[n-]1 ZINC000516486448 562044719 /nfs/dbraw/zinc/04/47/19/562044719.db2.gz PNUDMHWQDSHLTP-NSHDSACASA-N -1 1 363.418 2.357 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2nc(CC)oc2C)n1 ZINC000516486448 562044721 /nfs/dbraw/zinc/04/47/21/562044721.db2.gz PNUDMHWQDSHLTP-NSHDSACASA-N -1 1 363.418 2.357 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c(C(F)(F)F)n1 ZINC000516880271 562062410 /nfs/dbraw/zinc/06/24/10/562062410.db2.gz LNYWTYRLMGEZMQ-SECBINFHSA-N -1 1 355.382 2.063 20 0 FEADMM CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000370848570 556989432 /nfs/dbraw/zinc/98/94/32/556989432.db2.gz AKWHSVIZSCWFIZ-MRXNPFEDSA-N -1 1 373.457 2.256 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370852848 556991419 /nfs/dbraw/zinc/99/14/19/556991419.db2.gz PLEFXXJHMPLYAE-ZANVPECISA-N -1 1 370.240 2.285 20 0 FEADMM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370857585 556992496 /nfs/dbraw/zinc/99/24/96/556992496.db2.gz OTADSYGUWJSGCI-LSDHHAIUSA-N -1 1 361.471 2.058 20 0 FEADMM O=C(CCc1cccc(OC2CCCC2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370867828 556996435 /nfs/dbraw/zinc/99/64/35/556996435.db2.gz LRMJVWHAVABPCY-QGZVFWFLSA-N -1 1 371.441 2.054 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000371014741 557045653 /nfs/dbraw/zinc/04/56/53/557045653.db2.gz BNHSPGBFRALEET-UHFFFAOYSA-N -1 1 352.456 2.018 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000371034955 557052361 /nfs/dbraw/zinc/05/23/61/557052361.db2.gz BKIYYEDJUKZBBI-OAHLLOKOSA-N -1 1 370.409 2.177 20 0 FEADMM O=C(N=c1ccc(-c2ccc(Cl)s2)n[n-]1)NCCN1CC[C@H](O)C1 ZINC000626609802 557129115 /nfs/dbraw/zinc/12/91/15/557129115.db2.gz RUMIARQFZATFFL-JTQLQIEISA-N -1 1 367.862 2.047 20 0 FEADMM CO[C@H]1C[C@@H](C(=O)[O-])N(CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000517382532 562087941 /nfs/dbraw/zinc/08/79/41/562087941.db2.gz YMLURDSLRUDPQK-ZFWWWQNUSA-N -1 1 363.389 2.291 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c1 ZINC000371370409 557164193 /nfs/dbraw/zinc/16/41/93/557164193.db2.gz VTZJEKNMWLIWEY-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM COCCc1nc(=N[C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)s[n-]1 ZINC000371862608 557313999 /nfs/dbraw/zinc/31/39/99/557313999.db2.gz FXBFNQWRZQHKSG-SMDDNHRTSA-N -1 1 367.544 2.236 20 0 FEADMM C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000518809316 562119057 /nfs/dbraw/zinc/11/90/57/562119057.db2.gz NWYDVNKPMLMKKF-XYPYZODXSA-N -1 1 364.464 2.054 20 0 FEADMM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372278765 557427879 /nfs/dbraw/zinc/42/78/79/557427879.db2.gz UFNCVAXXXQTFJW-GHMZBOCLSA-N -1 1 369.347 2.392 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](Nc2ncccn2)C1 ZINC000519159814 562126308 /nfs/dbraw/zinc/12/63/08/562126308.db2.gz ZWUDVZJTCMKRBT-NSHDSACASA-N -1 1 363.215 2.271 20 0 FEADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000372456874 557475894 /nfs/dbraw/zinc/47/58/94/557475894.db2.gz HRMMPJDSXXHTBT-PMPSAXMXSA-N -1 1 365.478 2.255 20 0 FEADMM COc1cc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])cc(OC)c1O ZINC000519334783 562129415 /nfs/dbraw/zinc/12/94/15/562129415.db2.gz KSOSDGBEZFUXMY-UHFFFAOYSA-N -1 1 369.377 2.297 20 0 FEADMM COc1cc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc(OC)c1O ZINC000519334783 562129416 /nfs/dbraw/zinc/12/94/16/562129416.db2.gz KSOSDGBEZFUXMY-UHFFFAOYSA-N -1 1 369.377 2.297 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@]12CCCO2 ZINC000519437107 562131973 /nfs/dbraw/zinc/13/19/73/562131973.db2.gz XXCSEEDYRRSJPL-RRFJBIMHSA-N -1 1 363.838 2.484 20 0 FEADMM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372651016 557529961 /nfs/dbraw/zinc/52/99/61/557529961.db2.gz QHWMFCLOECRKOI-GOEBONIOSA-N -1 1 360.454 2.248 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000373075527 557622418 /nfs/dbraw/zinc/62/24/18/557622418.db2.gz WTJDRBWHQPCOFB-UHFFFAOYSA-N -1 1 374.416 2.459 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CCO4)cc12 ZINC000373895611 557782289 /nfs/dbraw/zinc/78/22/89/557782289.db2.gz ALDUNEJGGDQBCB-UHFFFAOYSA-N -1 1 372.406 2.043 20 0 FEADMM C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000373909107 557784857 /nfs/dbraw/zinc/78/48/57/557784857.db2.gz ZNPQMNOXXFNWGK-JSFDKUKPSA-N -1 1 373.501 2.163 20 0 FEADMM CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1 ZINC000374008004 557806479 /nfs/dbraw/zinc/80/64/79/557806479.db2.gz CAMQBDKTMQJICT-AWEZNQCLSA-N -1 1 351.428 2.490 20 0 FEADMM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CCN2)cc1 ZINC000374347507 557869263 /nfs/dbraw/zinc/86/92/63/557869263.db2.gz VLNVYISYGMKWFF-KRWDZBQOSA-N -1 1 365.437 2.023 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCN[C@H](c3cccc(Cl)c3)C1)c2=O ZINC000374910730 557949995 /nfs/dbraw/zinc/94/99/95/557949995.db2.gz IMSGCLACQADIDU-HNNXBMFYSA-N -1 1 371.828 2.114 20 0 FEADMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OC ZINC000521230914 562172457 /nfs/dbraw/zinc/17/24/57/562172457.db2.gz WVMLVBDPQBHVPI-PSASIEDQSA-N -1 1 353.362 2.360 20 0 FEADMM O=C1Nc2ccccc2[C@@]12CCN(Cc1nc(=O)c3sccc3[n-]1)C2 ZINC000375309299 558007207 /nfs/dbraw/zinc/00/72/07/558007207.db2.gz NEKSDUYGSPZIAY-SFHVURJKSA-N -1 1 352.419 2.493 20 0 FEADMM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n[n-]1 ZINC000375637064 558060737 /nfs/dbraw/zinc/06/07/37/558060737.db2.gz RSZGYUHJZFJSHY-ZETCQYMHSA-N -1 1 353.791 2.351 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(F)(c3cccnc3)CC1)c2=O ZINC000375895934 558095534 /nfs/dbraw/zinc/09/55/34/558095534.db2.gz RAPVJWLLSNQAJB-UHFFFAOYSA-N -1 1 355.373 2.170 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000375994747 558111344 /nfs/dbraw/zinc/11/13/44/558111344.db2.gz RXSUCLTZYCEYCI-WFASDCNBSA-N -1 1 352.818 2.231 20 0 FEADMM CC(=O)N1CCCC[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376062289 558121466 /nfs/dbraw/zinc/12/14/66/558121466.db2.gz QJPIUUYMUKTMFS-SFHVURJKSA-N -1 1 358.438 2.215 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000376326799 558158331 /nfs/dbraw/zinc/15/83/31/558158331.db2.gz DBGJFOYZXUPRQK-CLAHSXSESA-N -1 1 355.343 2.006 20 0 FEADMM C[C@@H]1c2nnc(C3CCCC3)n2CCN1CCC[N-]C(=O)C(F)(F)F ZINC000376498994 558181321 /nfs/dbraw/zinc/18/13/21/558181321.db2.gz AYWWWEMLLMDGEN-LLVKDONJSA-N -1 1 359.396 2.381 20 0 FEADMM CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000376612527 558197876 /nfs/dbraw/zinc/19/78/76/558197876.db2.gz MFTGIZXCAFQEEC-AAEUAGOBSA-N -1 1 359.348 2.219 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377093121 558264329 /nfs/dbraw/zinc/26/43/29/558264329.db2.gz PLBAMIXDTHQNTK-RVMXOQNASA-N -1 1 350.381 2.107 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@](C(=O)[N-]C2=NCCS2)(C(F)(F)F)C1 ZINC000377142799 558275181 /nfs/dbraw/zinc/27/51/81/558275181.db2.gz RTVPAHIKHQJUKT-CYBMUJFWSA-N -1 1 367.393 2.395 20 0 FEADMM O=C(CCCCc1nc2ccccc2s1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377600671 558374603 /nfs/dbraw/zinc/37/46/03/558374603.db2.gz KHSJHNQWADXTSZ-CYBMUJFWSA-N -1 1 372.454 2.122 20 0 FEADMM O=C(c1ccoc1)N1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000377654828 558387908 /nfs/dbraw/zinc/38/79/08/558387908.db2.gz UQKUGPXQODBJNA-UHFFFAOYSA-N -1 1 350.321 2.252 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000377866757 558437539 /nfs/dbraw/zinc/43/75/39/558437539.db2.gz ZECRWEDQHJRFKN-LBPRGKRZSA-N -1 1 362.411 2.622 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(OCc2ccccc2)nc1 ZINC000522855185 562204865 /nfs/dbraw/zinc/20/48/65/562204865.db2.gz UBCFHIJCMJZEBM-UHFFFAOYSA-N -1 1 364.409 2.373 20 0 FEADMM CCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C)c1nn[n-]n1 ZINC000378102335 558481790 /nfs/dbraw/zinc/48/17/90/558481790.db2.gz OLRSNKWGVKLFGS-AWEZNQCLSA-N -1 1 370.457 2.406 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)Cc2ccccc2)Cc2ccccc2C1 ZINC000523359137 562211922 /nfs/dbraw/zinc/21/19/22/562211922.db2.gz JZKPHKBMCCFUKJ-UHFFFAOYSA-N -1 1 359.447 2.207 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1c(Cl)ccnc1Cl ZINC000378358976 558538184 /nfs/dbraw/zinc/53/81/84/558538184.db2.gz FSNQVVVWBNBMFW-NEPJUHHUSA-N -1 1 359.234 2.325 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC=C(c3cncc(F)c3)CC1)c2=O ZINC000378585691 558589354 /nfs/dbraw/zinc/58/93/54/558589354.db2.gz XJFYIHCNFYFUMZ-UHFFFAOYSA-N -1 1 353.357 2.138 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1 ZINC000390280575 558611130 /nfs/dbraw/zinc/61/11/30/558611130.db2.gz UDCSUQOXTMTENP-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM COc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1NC(C)=O ZINC000391671406 558614616 /nfs/dbraw/zinc/61/46/16/558614616.db2.gz NLMQZMQXQYYUMD-UHFFFAOYSA-N -1 1 370.408 2.214 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000392068626 558615587 /nfs/dbraw/zinc/61/55/87/558615587.db2.gz KEUAWQPHJAPVRH-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)c1ccc([O-])cc1 ZINC000523878504 562221086 /nfs/dbraw/zinc/22/10/86/562221086.db2.gz WLNKLQSMEPNCHR-UHFFFAOYSA-N -1 1 370.390 2.114 20 0 FEADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000524018561 562223015 /nfs/dbraw/zinc/22/30/15/562223015.db2.gz HEASBKCUGYRECQ-LLVKDONJSA-N -1 1 374.418 2.421 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000408205004 558656006 /nfs/dbraw/zinc/65/60/06/558656006.db2.gz IRMNBJKDMZXAIJ-LLVKDONJSA-N -1 1 355.391 2.285 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000408205004 558656009 /nfs/dbraw/zinc/65/60/09/558656009.db2.gz IRMNBJKDMZXAIJ-LLVKDONJSA-N -1 1 355.391 2.285 20 0 FEADMM COc1cc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cc(Cl)c1[O-] ZINC000408328757 558666956 /nfs/dbraw/zinc/66/69/56/558666956.db2.gz XIYXTVDRBNRSBS-KRWDZBQOSA-N -1 1 355.818 2.464 20 0 FEADMM C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450209 558678447 /nfs/dbraw/zinc/67/84/47/558678447.db2.gz DEKCTRJHVDZVFU-KGLIPLIRSA-N -1 1 358.417 2.416 20 0 FEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450209 558678450 /nfs/dbraw/zinc/67/84/50/558678450.db2.gz DEKCTRJHVDZVFU-KGLIPLIRSA-N -1 1 358.417 2.416 20 0 FEADMM Cc1c(C(=O)NC2(c3nn[n-]n3)CCCC2)cnn1-c1cccc(C)c1 ZINC000524573944 562230479 /nfs/dbraw/zinc/23/04/79/562230479.db2.gz BAKYOYWNZTZANT-UHFFFAOYSA-N -1 1 351.414 2.202 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3O[C@H](C)C[C@H]3C)c2)n1 ZINC000409959859 558730212 /nfs/dbraw/zinc/73/02/12/558730212.db2.gz CDYCMIMBOASPOR-LALPHHSUSA-N -1 1 372.425 2.078 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000410282852 558749950 /nfs/dbraw/zinc/74/99/50/558749950.db2.gz PPGHLRHCXIRLJP-CYBMUJFWSA-N -1 1 358.442 2.916 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410368032 558753580 /nfs/dbraw/zinc/75/35/80/558753580.db2.gz VEIUMXJIGMYWDE-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C[C@H](C)O1 ZINC000525414091 562247841 /nfs/dbraw/zinc/24/78/41/562247841.db2.gz RPFMJGKOIRZYDR-AAEUAGOBSA-N -1 1 371.459 2.098 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(F)c(Br)cc1Cl ZINC000526011593 562263617 /nfs/dbraw/zinc/26/36/17/562263617.db2.gz MUQKCVJVWWRBMC-UHFFFAOYSA-N -1 1 360.574 2.174 20 0 FEADMM O=C(C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2)c1ccc([O-])cc1 ZINC000412671550 559049802 /nfs/dbraw/zinc/04/98/02/559049802.db2.gz LDMSZNILRIOOEL-HXUWFJFHSA-N -1 1 351.358 2.211 20 0 FEADMM CCNC(=O)c1ccc(=NCCOc2ccc(C(F)(F)F)cc2)[n-]n1 ZINC000413071008 559074920 /nfs/dbraw/zinc/07/49/20/559074920.db2.gz FSUVNQAAEANXBJ-UHFFFAOYSA-N -1 1 354.332 2.736 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3C[C@H]3c3ccco3)CC2)n1 ZINC000413866932 559136124 /nfs/dbraw/zinc/13/61/24/559136124.db2.gz MQECONKSROQTSI-CHWSQXEVSA-N -1 1 373.413 2.020 20 0 FEADMM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1ccc(Br)cc1[O-] ZINC000414014250 559146784 /nfs/dbraw/zinc/14/67/84/559146784.db2.gz DTSMIEOLPVKTQU-NSHDSACASA-N -1 1 355.232 2.284 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)CC(C)(C)OC)cc(Cl)c1F ZINC000414382987 559160215 /nfs/dbraw/zinc/16/02/15/559160215.db2.gz QJKQATUSADUNCI-UHFFFAOYSA-N -1 1 353.799 2.432 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC000414402292 559161773 /nfs/dbraw/zinc/16/17/73/559161773.db2.gz XWGPHCQGVKLKFG-GFCCVEGCSA-N -1 1 364.379 2.038 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2cccc(Br)c2)C1=O ZINC000414645738 559177026 /nfs/dbraw/zinc/17/70/26/559177026.db2.gz AFVPLYVPUGTZIO-UONOGXRCSA-N -1 1 369.259 2.249 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc(Cl)c1[O-] ZINC000527196260 562279701 /nfs/dbraw/zinc/27/97/01/562279701.db2.gz ZKHZQRICSNWWHJ-GFCCVEGCSA-N -1 1 352.818 2.281 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCCOc1ccc(Cl)cc1 ZINC000416127365 559293003 /nfs/dbraw/zinc/29/30/03/559293003.db2.gz SOFZQBLBNUOZPW-UHFFFAOYSA-N -1 1 367.789 2.139 20 0 FEADMM COc1ccccc1[C@H](CC(C)C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416169969 559296221 /nfs/dbraw/zinc/29/62/21/559296221.db2.gz IAVVNLQVDYWCFH-LBPRGKRZSA-N -1 1 361.398 2.422 20 0 FEADMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000416454091 559314072 /nfs/dbraw/zinc/31/40/72/559314072.db2.gz GZQJHOQZLJLLJC-LURJTMIESA-N -1 1 356.297 2.270 20 0 FEADMM O=C1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1 ZINC000416588518 559323465 /nfs/dbraw/zinc/32/34/65/559323465.db2.gz RBPRXQOGPJSCNM-ZCFIWIBFSA-N -1 1 357.646 2.061 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Cl)C1(O)CCOCC1 ZINC000416649433 559327502 /nfs/dbraw/zinc/32/75/02/559327502.db2.gz BJRPWTOGXMNTKA-UHFFFAOYSA-N -1 1 353.893 2.248 20 0 FEADMM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)n(C)c1C ZINC000417573254 559367240 /nfs/dbraw/zinc/36/72/40/559367240.db2.gz PWTCBMFVQWOWJS-INIZCTEOSA-N -1 1 364.373 2.183 20 0 FEADMM COc1ccc(CN[C@H](Cn2cc(C)cn2)C(=O)[O-])c(Br)c1 ZINC000417575100 559367283 /nfs/dbraw/zinc/36/72/83/559367283.db2.gz ISJJVUPMEOBNCK-CQSZACIVSA-N -1 1 368.231 2.206 20 0 FEADMM Cn1ccc(NCCN=c2[n-]c(C(F)(F)F)c(Br)s2)n1 ZINC000418943770 559422936 /nfs/dbraw/zinc/42/29/36/559422936.db2.gz MXGWROXNEJQSMK-UHFFFAOYSA-N -1 1 370.198 2.026 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)(C(=O)OC)c1ccccc1 ZINC000420677440 559497254 /nfs/dbraw/zinc/49/72/54/559497254.db2.gz MSIVXONLQGJURJ-SJLPKXTDSA-N -1 1 371.499 2.445 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC)c1ccco1 ZINC000420676525 559497272 /nfs/dbraw/zinc/49/72/72/559497272.db2.gz QLPIQSLCOLPCHS-HOTGVXAUSA-N -1 1 353.440 2.144 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)c(F)c1)OC ZINC000420685358 559497889 /nfs/dbraw/zinc/49/78/89/559497889.db2.gz HWYMFTVMZCSNNM-GWCFXTLKSA-N -1 1 367.826 2.038 20 0 FEADMM Cn1[n-]c(CN2CCCC[C@@H]2Cc2cccc(Br)c2)nc1=O ZINC000421031230 559520760 /nfs/dbraw/zinc/52/07/60/559520760.db2.gz CRSSLIPWVVDUNC-CQSZACIVSA-N -1 1 365.275 2.468 20 0 FEADMM CC[C@@H]1C[C@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000421060989 559522232 /nfs/dbraw/zinc/52/22/32/559522232.db2.gz LLTCZNCAXCDZBZ-CHWSQXEVSA-N -1 1 371.459 2.146 20 0 FEADMM CC[C@H]1C[C@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000421060990 559522308 /nfs/dbraw/zinc/52/23/08/559522308.db2.gz LLTCZNCAXCDZBZ-OLZOCXBDSA-N -1 1 371.459 2.146 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1F ZINC000421235904 559532772 /nfs/dbraw/zinc/53/27/72/559532772.db2.gz POCBEIPEJCRQNH-UHFFFAOYSA-N -1 1 369.418 2.264 20 0 FEADMM CCc1nc(=NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)[n-][nH]1 ZINC000421784132 559553457 /nfs/dbraw/zinc/55/34/57/559553457.db2.gz JJBXAIWSKCIBLR-UHFFFAOYSA-N -1 1 354.389 2.741 20 0 FEADMM C[C@@]1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1(F)F ZINC000421791842 559553673 /nfs/dbraw/zinc/55/36/73/559553673.db2.gz LEKQUOIGDHUNBD-AWEZNQCLSA-N -1 1 360.382 2.161 20 0 FEADMM CC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000422124117 559566759 /nfs/dbraw/zinc/56/67/59/559566759.db2.gz SFBIXLUVCWHXAK-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)CCOCC1CC1 ZINC000424062836 559653196 /nfs/dbraw/zinc/65/31/96/559653196.db2.gz LKYRIZAKNWMJIP-UHFFFAOYSA-N -1 1 357.428 2.342 20 0 FEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)CCOCC1CC1 ZINC000424067743 559653397 /nfs/dbraw/zinc/65/33/97/559653397.db2.gz XGSIZIFMKUWVGW-UHFFFAOYSA-N -1 1 357.428 2.340 20 0 FEADMM Cc1noc([C@H]2C[C@@H](O)CN2c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)n1 ZINC000424082810 559654179 /nfs/dbraw/zinc/65/41/79/559654179.db2.gz BWICINQIPYEJKZ-DAXOMENPSA-N -1 1 366.425 2.653 20 0 FEADMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000424252335 559659505 /nfs/dbraw/zinc/65/95/05/559659505.db2.gz DGFRMFRBRREFND-HNNXBMFYSA-N -1 1 373.453 2.471 20 0 FEADMM COc1cc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])cc(OC)c1 ZINC000424262489 559659776 /nfs/dbraw/zinc/65/97/76/559659776.db2.gz QMQWVLUBOORHFH-CQSZACIVSA-N -1 1 350.415 2.362 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000424576213 559669958 /nfs/dbraw/zinc/66/99/58/559669958.db2.gz MIDGUBPPQFFXRV-UPCLLVRISA-N -1 1 366.508 2.283 20 0 FEADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc(Cl)c1OC ZINC000424623735 559671592 /nfs/dbraw/zinc/67/15/92/559671592.db2.gz PZTDMBPJJFWOPX-CQSZACIVSA-N -1 1 353.806 2.396 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CCC[C@@H](F)C3)CC2)n1 ZINC000424806810 559677282 /nfs/dbraw/zinc/67/72/82/559677282.db2.gz IMJIWTBIVOUCOI-QWHCGFSZSA-N -1 1 352.410 2.216 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000425010309 559683559 /nfs/dbraw/zinc/68/35/59/559683559.db2.gz QHDOVYDZMJHFOR-KXBFYZLASA-N -1 1 354.385 2.348 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CC1)c1ccccc1 ZINC000425170504 559689326 /nfs/dbraw/zinc/68/93/26/559689326.db2.gz SAVQEBFAHKRSLH-INIZCTEOSA-N -1 1 369.483 2.415 20 0 FEADMM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000425174213 559689610 /nfs/dbraw/zinc/68/96/10/559689610.db2.gz BQBPVEGWKDDASS-ZDUSSCGKSA-N -1 1 371.405 2.300 20 0 FEADMM CN1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000425179203 559689816 /nfs/dbraw/zinc/68/98/16/559689816.db2.gz APQQEPKKNLEICL-MRVPVSSYSA-N -1 1 369.245 2.279 20 0 FEADMM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425202894 559690925 /nfs/dbraw/zinc/69/09/25/559690925.db2.gz MYZLBEWVZOYYJT-UHFFFAOYSA-N -1 1 372.393 2.273 20 0 FEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2sccc2F)s1 ZINC000425211186 559691542 /nfs/dbraw/zinc/69/15/42/559691542.db2.gz XNEVAYZBIBUQDC-LURJTMIESA-N -1 1 350.418 2.170 20 0 FEADMM CC(C)(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc2c(c1)OCO2 ZINC000425297588 559695263 /nfs/dbraw/zinc/69/52/63/559695263.db2.gz IFIKRKRYZVPKLO-NSHDSACASA-N -1 1 359.382 2.188 20 0 FEADMM C[C@H]1CCN(c2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)ccn2)C1 ZINC000425326297 559696916 /nfs/dbraw/zinc/69/69/16/559696916.db2.gz UOOAUEOCCBUPFW-LBPRGKRZSA-N -1 1 357.414 2.036 20 0 FEADMM CC(C)n1ncc2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cnc21 ZINC000425329065 559697023 /nfs/dbraw/zinc/69/70/23/559697023.db2.gz YXCPPNPCZSPUMP-UHFFFAOYSA-N -1 1 356.386 2.121 20 0 FEADMM CC[C@@H](NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccc(C)cc1 ZINC000426258871 559731776 /nfs/dbraw/zinc/73/17/76/559731776.db2.gz VRYKVLWCYWEYCB-CQSZACIVSA-N -1 1 360.487 2.412 20 0 FEADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)nnn3C)c1OC ZINC000426809502 559742319 /nfs/dbraw/zinc/74/23/19/559742319.db2.gz DPHINLNLRPWXIY-CQSZACIVSA-N -1 1 370.409 2.291 20 0 FEADMM O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NC1(c2nn[n-]n2)CC1 ZINC000427496789 559756716 /nfs/dbraw/zinc/75/67/16/559756716.db2.gz IAMNFETZYHVCTG-UHFFFAOYSA-N -1 1 374.857 2.248 20 0 FEADMM Cc1cnc(C(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)c([O-])c1 ZINC000427843516 559763818 /nfs/dbraw/zinc/76/38/18/559763818.db2.gz VISPMHVBQOWYTG-OAHLLOKOSA-N -1 1 363.776 2.201 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cnc3ccccc3c2)c1 ZINC000427917726 559765290 /nfs/dbraw/zinc/76/52/90/559765290.db2.gz ZLWCOZBBXZOOPI-UHFFFAOYSA-N -1 1 371.418 2.030 20 0 FEADMM CC[C@@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000428706411 559781516 /nfs/dbraw/zinc/78/15/16/559781516.db2.gz ACZTYPCDAZWMLP-LJQANCHMSA-N -1 1 374.462 2.474 20 0 FEADMM COc1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)ccc1[N-]S(C)(=O)=O ZINC000429420641 559798153 /nfs/dbraw/zinc/79/81/53/559798153.db2.gz DHDKQDVATODHBV-BXUZGUMPSA-N -1 1 353.444 2.473 20 0 FEADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)cc2C1=O ZINC000431165855 559835230 /nfs/dbraw/zinc/83/52/30/559835230.db2.gz HLGVVUMMHQKXHI-UHFFFAOYSA-N -1 1 370.308 2.131 20 0 FEADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432211272 559854311 /nfs/dbraw/zinc/85/43/11/559854311.db2.gz WCCHIBQPLBJXGG-QHCPKHFHSA-N -1 1 362.432 2.066 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C1CCOCC1 ZINC000432218006 559854435 /nfs/dbraw/zinc/85/44/35/559854435.db2.gz JAPRLBJZPHKXQV-BFHRDPOASA-N -1 1 373.515 2.235 20 0 FEADMM NC(=O)c1csc(=NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)[n-]1 ZINC000432334436 559856667 /nfs/dbraw/zinc/85/66/67/559856667.db2.gz GRHKKTPKHDYVQZ-UHFFFAOYSA-N -1 1 371.388 2.737 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)n1 ZINC000432659921 559862592 /nfs/dbraw/zinc/86/25/92/559862592.db2.gz RNTVVCYXKGNFOS-UHFFFAOYSA-N -1 1 373.390 2.439 20 0 FEADMM CCOC(=O)c1ccccc1NC(=O)CSc1nc(C(=O)OC)c[n-]1 ZINC000432654026 559862607 /nfs/dbraw/zinc/86/26/07/559862607.db2.gz CJYOZCAANXQYNT-UHFFFAOYSA-N -1 1 363.395 2.104 20 0 FEADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000436177103 559936904 /nfs/dbraw/zinc/93/69/04/559936904.db2.gz JOPHBZDYWBXVHD-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000436480503 559942616 /nfs/dbraw/zinc/94/26/16/559942616.db2.gz WPZYJDDSGMWYFZ-SFHVURJKSA-N -1 1 371.418 2.185 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000436505887 559943758 /nfs/dbraw/zinc/94/37/58/559943758.db2.gz RNEXXUKCLFSMTC-UHFFFAOYSA-N -1 1 361.350 2.457 20 0 FEADMM CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1[O-] ZINC000436535256 559944400 /nfs/dbraw/zinc/94/44/00/559944400.db2.gz ZAQJSJUXRMWZGH-UHFFFAOYSA-N -1 1 364.423 2.294 20 0 FEADMM NC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000436532712 559944633 /nfs/dbraw/zinc/94/46/33/559944633.db2.gz WQGPPGKPPIVJGA-UHFFFAOYSA-N -1 1 359.813 2.107 20 0 FEADMM NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436645523 559947521 /nfs/dbraw/zinc/94/75/21/559947521.db2.gz BCRCMCQJVDXXBE-UHFFFAOYSA-N -1 1 352.293 2.093 20 0 FEADMM O=C1CN(c2ccc(-c3noc(-c4ccc([O-])cc4F)n3)cc2)CCN1 ZINC000436687790 559948934 /nfs/dbraw/zinc/94/89/34/559948934.db2.gz JOIRUZXAXNLIOG-UHFFFAOYSA-N -1 1 354.341 2.185 20 0 FEADMM COc1cc(C)cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1O ZINC000436815509 559952862 /nfs/dbraw/zinc/95/28/62/559952862.db2.gz WRQJJBDNMWITLJ-UHFFFAOYSA-N -1 1 368.386 2.472 20 0 FEADMM C[C@H](CNC(=O)c1c([O-])cccc1F)N1CCN(c2ccccc2)CC1 ZINC000436820545 559953032 /nfs/dbraw/zinc/95/30/32/559953032.db2.gz RUGYEQFNSVCCRW-OAHLLOKOSA-N -1 1 357.429 2.472 20 0 FEADMM O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1c([O-])cccc1F ZINC000436898177 559955636 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/nfs/dbraw/zinc/77/78/34/560777834.db2.gz XCGPYPOZEYENRV-UHFFFAOYSA-N -1 1 353.378 2.428 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463681158 560821125 /nfs/dbraw/zinc/82/11/25/560821125.db2.gz GVJYQVLKFALZSD-UHFFFAOYSA-N -1 1 351.301 2.308 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463681158 560821126 /nfs/dbraw/zinc/82/11/26/560821126.db2.gz GVJYQVLKFALZSD-UHFFFAOYSA-N -1 1 351.301 2.308 20 0 FEADMM COc1ccc2c(c1)[C@@H](NC(=O)c1nc3ccccc3c(=O)[n-]1)CCO2 ZINC000466689998 560892703 /nfs/dbraw/zinc/89/27/03/560892703.db2.gz ILZIIUIHDRKZKO-HNNXBMFYSA-N -1 1 351.362 2.185 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@H]3CCC[C@H]3C)CC2)n1 ZINC000466708573 560893164 /nfs/dbraw/zinc/89/31/64/560893164.db2.gz ZEMFTRRPVLHQAJ-TZMCWYRMSA-N -1 1 363.462 2.307 20 0 FEADMM CC(C)CN(C)c1ccc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000467858128 560918877 /nfs/dbraw/zinc/91/88/77/560918877.db2.gz GBZQCSFFUJBTDP-UHFFFAOYSA-N -1 1 374.514 2.175 20 0 FEADMM Cc1cc(C(=O)Nc2nnc(-c3ccco3)s2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000467961790 560920238 /nfs/dbraw/zinc/92/02/38/560920238.db2.gz XNCJQNMQINBTOM-UHFFFAOYSA-N -1 1 370.350 2.108 20 0 FEADMM Cc1cc(C(=O)Nc2nnc(-c3ccco3)s2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000467961790 560920239 /nfs/dbraw/zinc/92/02/39/560920239.db2.gz XNCJQNMQINBTOM-UHFFFAOYSA-N -1 1 370.350 2.108 20 0 FEADMM C[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468044877 560921505 /nfs/dbraw/zinc/92/15/05/560921505.db2.gz NFMXMRSWZCESMZ-GDBMZVCRSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000468044475 560921641 /nfs/dbraw/zinc/92/16/41/560921641.db2.gz IKSLDBWTYLABAP-ZBFHGGJFSA-N -1 1 374.462 2.330 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000468380183 560928427 /nfs/dbraw/zinc/92/84/27/560928427.db2.gz BWNNUYNHOGNYEK-UHFFFAOYSA-N -1 1 368.480 2.399 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)Nc2cc(-c3nc[nH]n3)ccc2F)c1 ZINC000470265875 560977610 /nfs/dbraw/zinc/97/76/10/560977610.db2.gz XHZUNFWSIXKZJE-UHFFFAOYSA-N -1 1 368.371 2.171 20 0 FEADMM CC(C)(C(=O)NC1(c2nn[n-]n2)CC1)c1cccc(Br)c1 ZINC000470985792 560995921 /nfs/dbraw/zinc/99/59/21/560995921.db2.gz SXTBWWZCENFIMV-UHFFFAOYSA-N -1 1 350.220 2.045 20 0 FEADMM C[C@H]1C[C@@H](O)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472998803 561039992 /nfs/dbraw/zinc/03/99/92/561039992.db2.gz ITXFEDBKZGLHRW-XJKSGUPXSA-N -1 1 360.435 2.083 20 0 FEADMM Cn1[n-]c(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)nc1=O ZINC000473184022 561043725 /nfs/dbraw/zinc/04/37/25/561043725.db2.gz SCZDJJOZMNKMJB-LBPRGKRZSA-N -1 1 358.389 2.417 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000473252333 561045452 /nfs/dbraw/zinc/04/54/52/561045452.db2.gz CSMHGCMQKWMFBE-UHFFFAOYSA-N -1 1 357.288 2.187 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000473329876 561047658 /nfs/dbraw/zinc/04/76/58/561047658.db2.gz SBPLPBZZCUCZJX-LLVKDONJSA-N -1 1 363.801 2.397 20 0 FEADMM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000473378156 561048947 /nfs/dbraw/zinc/04/89/47/561048947.db2.gz WBVOZNCYOQHVCH-GFCCVEGCSA-N -1 1 364.409 2.163 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2(CCO)CCCC2)o1 ZINC000473575650 561053078 /nfs/dbraw/zinc/05/30/78/561053078.db2.gz HWFLWFFJVGLPLZ-UHFFFAOYSA-N -1 1 372.487 2.029 20 0 FEADMM CC(C)(C)CC(=O)Nc1ccc(CC(=O)NC(C)(C)c2nn[n-]n2)cc1 ZINC000474998744 561087442 /nfs/dbraw/zinc/08/74/42/561087442.db2.gz DXRFASDYCQBJJR-UHFFFAOYSA-N -1 1 358.446 2.168 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(-n3ccc(C(N)=O)n3)cc2)c1 ZINC000476422954 561119102 /nfs/dbraw/zinc/11/91/02/561119102.db2.gz MSSVNUYUWCSNFE-UHFFFAOYSA-N -1 1 374.397 2.220 20 0 FEADMM Cc1cccc(COc2cccc(CC(=O)NC3(c4nn[n-]n4)CC3)c2)c1 ZINC000477021453 561134433 /nfs/dbraw/zinc/13/44/33/561134433.db2.gz ALDCGYUECWRVBX-UHFFFAOYSA-N -1 1 363.421 2.435 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccccc2C)c1 ZINC000529407498 562372888 /nfs/dbraw/zinc/37/28/88/562372888.db2.gz KNAWKMJCTGFDPD-ZDUSSCGKSA-N -1 1 362.451 2.426 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3COC3)cc2)cc1C ZINC000530113774 562398720 /nfs/dbraw/zinc/39/87/20/562398720.db2.gz QAVJQPBPYKKGLJ-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM CCOC(=O)c1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1 ZINC000530568869 562416335 /nfs/dbraw/zinc/41/63/35/562416335.db2.gz FDPDAFCEOCIJJN-UHFFFAOYSA-N -1 1 368.349 2.173 20 0 FEADMM CCC[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nn[n-]n1 ZINC000530960042 562430048 /nfs/dbraw/zinc/43/00/48/562430048.db2.gz ZRTHGDRHUJSRTB-NSHDSACASA-N -1 1 351.794 2.286 20 0 FEADMM COc1ccc(NC(=O)c2c(C)cc(C)[nH]c2=O)cc1[N-]S(C)(=O)=O ZINC000531051426 562433239 /nfs/dbraw/zinc/43/32/39/562433239.db2.gz ASXJQAMGGSSDQQ-UHFFFAOYSA-N -1 1 365.411 2.036 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000531437712 562445933 /nfs/dbraw/zinc/44/59/33/562445933.db2.gz WVUAAUYAQBVBLG-UHFFFAOYSA-N -1 1 367.262 2.366 20 0 FEADMM COc1cccc([C@@H](CC(=O)[O-])NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000532258592 562471808 /nfs/dbraw/zinc/47/18/08/562471808.db2.gz HSYGXTZGXHLHFG-MRXNPFEDSA-N -1 1 353.378 2.446 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000532266630 562472093 /nfs/dbraw/zinc/47/20/93/562472093.db2.gz LSEKPAJQQHIEIN-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@@H]1N1CCOCC1)c1cc2ccccc2o1 ZINC000532421167 562477346 /nfs/dbraw/zinc/47/73/46/562477346.db2.gz ZGLUDVWMQKYXHQ-HOTGVXAUSA-N -1 1 364.467 2.355 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccc(F)cc2)sc1C ZINC000532775118 562488325 /nfs/dbraw/zinc/48/83/25/562488325.db2.gz HCFOWEURJVIRET-ZDUSSCGKSA-N -1 1 358.460 2.029 20 0 FEADMM CCn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1C ZINC000534310893 562530975 /nfs/dbraw/zinc/53/09/75/562530975.db2.gz SHASMXICYAIBNF-KRWDZBQOSA-N -1 1 362.499 2.154 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)co1 ZINC000535123518 562551510 /nfs/dbraw/zinc/55/15/10/562551510.db2.gz QUEMSPQDEDHEQF-UHFFFAOYSA-N -1 1 361.423 2.216 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2ccccc2C)co1 ZINC000535127976 562551622 /nfs/dbraw/zinc/55/16/22/562551622.db2.gz AREQVYLGJBQZJI-INIZCTEOSA-N -1 1 362.451 2.343 20 0 FEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000535780403 562567971 /nfs/dbraw/zinc/56/79/71/562567971.db2.gz ZOWCOMIXROMYQL-UHFFFAOYSA-N -1 1 367.448 2.062 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2c(F)cccc2CO)cnn1-c1ccccn1 ZINC000536497829 562577118 /nfs/dbraw/zinc/57/71/18/562577118.db2.gz QBEKEZJMACZLTM-UHFFFAOYSA-N -1 1 362.386 2.008 20 0 FEADMM COc1cccc(OCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000536939741 562583040 /nfs/dbraw/zinc/58/30/40/562583040.db2.gz DHXXWFAUTYTLOV-UHFFFAOYSA-N -1 1 368.386 2.223 20 0 FEADMM O=C(c1ccc(F)c(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537124016 562585926 /nfs/dbraw/zinc/58/59/26/562585926.db2.gz VEVQCMOKDLJAOB-SECBINFHSA-N -1 1 354.183 2.121 20 0 FEADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc21 ZINC000540869263 562595082 /nfs/dbraw/zinc/59/50/82/562595082.db2.gz RANGZRTYIVLFIR-UHFFFAOYSA-N -1 1 360.391 2.125 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c1 ZINC000540929780 562597331 /nfs/dbraw/zinc/59/73/31/562597331.db2.gz GLHKUWODHBFJGV-UHFFFAOYSA-N -1 1 371.390 2.152 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCCn2nccc21 ZINC000545457652 562627516 /nfs/dbraw/zinc/62/75/16/562627516.db2.gz LRZFNCCJKXOCKZ-UHFFFAOYSA-N -1 1 369.162 2.244 20 0 FEADMM CCOc1ncccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000545663799 562629737 /nfs/dbraw/zinc/62/97/37/562629737.db2.gz TWQQAAFKULPHLH-UHFFFAOYSA-N -1 1 366.424 2.070 20 0 FEADMM CSCCCNC(=S)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806593074 674382338 /nfs/dbraw/zinc/38/23/38/674382338.db2.gz AGOYPCYBEOUUCG-DCAQKATOSA-N -1 1 371.494 2.391 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3noc(C(C)(C)C)n3)n2)cc1 ZINC000556073185 674387068 /nfs/dbraw/zinc/38/70/68/674387068.db2.gz NQBBZPLQGBEYPA-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3noc(C(C)(C)C)n3)n[n-]2)cc1 ZINC000556073185 674387073 /nfs/dbraw/zinc/38/70/73/674387073.db2.gz NQBBZPLQGBEYPA-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000601763656 567830646 /nfs/dbraw/zinc/83/06/46/567830646.db2.gz FTZFQCXQUZVIGO-GOSISDBHSA-N -1 1 353.390 2.352 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c1 ZINC000601975870 567893849 /nfs/dbraw/zinc/89/38/49/567893849.db2.gz LXNPDGNAXWPFLT-KRWDZBQOSA-N -1 1 371.455 2.107 20 0 FEADMM Cc1cc(I)ccc1NC(=O)CCCc1nn[n-]n1 ZINC000602026226 567903788 /nfs/dbraw/zinc/90/37/88/567903788.db2.gz KBFRADIJUDOJCU-UHFFFAOYSA-N -1 1 371.182 2.074 20 0 FEADMM Cc1cc(I)cc(NC(=O)CCCc2nn[n-]n2)c1 ZINC000602154815 567943949 /nfs/dbraw/zinc/94/39/49/567943949.db2.gz ZWDZRHFJQJBFHM-UHFFFAOYSA-N -1 1 371.182 2.074 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)Cc2cccc(Cl)c2Cl)n[n-]1 ZINC000603016944 568051959 /nfs/dbraw/zinc/05/19/59/568051959.db2.gz NCNNPEILXJOZKX-UHFFFAOYSA-N -1 1 357.197 2.147 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2cccc(Cl)c2Cl)n1 ZINC000603016944 568051960 /nfs/dbraw/zinc/05/19/60/568051960.db2.gz NCNNPEILXJOZKX-UHFFFAOYSA-N -1 1 357.197 2.147 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCc2ccc(Cl)c(F)c2)n[n-]1 ZINC000603023384 568052704 /nfs/dbraw/zinc/05/27/04/568052704.db2.gz SNWRJOMIECBLRA-UHFFFAOYSA-N -1 1 354.769 2.023 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2ccc(Cl)c(F)c2)n1 ZINC000603023384 568052705 /nfs/dbraw/zinc/05/27/05/568052705.db2.gz SNWRJOMIECBLRA-UHFFFAOYSA-N -1 1 354.769 2.023 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2sccc2Br)n1 ZINC000603166307 568070285 /nfs/dbraw/zinc/07/02/85/568070285.db2.gz PTGURHQDLXHUSG-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CSCc2ccc(F)cc2)n[n-]1 ZINC000603159319 568069061 /nfs/dbraw/zinc/06/90/61/568069061.db2.gz AKIJNLQVNBSZBS-JTQLQIEISA-N -1 1 366.418 2.231 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CSCc2ccc(F)cc2)[n-]1 ZINC000603159319 568069062 /nfs/dbraw/zinc/06/90/62/568069062.db2.gz AKIJNLQVNBSZBS-JTQLQIEISA-N -1 1 366.418 2.231 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CSCc2ccc(F)cc2)n1 ZINC000603159319 568069063 /nfs/dbraw/zinc/06/90/63/568069063.db2.gz AKIJNLQVNBSZBS-JTQLQIEISA-N -1 1 366.418 2.231 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2sccc2Br)n[n-]1 ZINC000603166307 568070283 /nfs/dbraw/zinc/07/02/83/568070283.db2.gz PTGURHQDLXHUSG-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2sccc2Br)[n-]1 ZINC000603166307 568070284 /nfs/dbraw/zinc/07/02/84/568070284.db2.gz PTGURHQDLXHUSG-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)n[n-]1 ZINC000603167082 568070391 /nfs/dbraw/zinc/07/03/91/568070391.db2.gz UDANZIHQQZUBEG-NWDGAFQWSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)[n-]1 ZINC000603167082 568070392 /nfs/dbraw/zinc/07/03/92/568070392.db2.gz UDANZIHQQZUBEG-NWDGAFQWSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)n1 ZINC000603167082 568070393 /nfs/dbraw/zinc/07/03/93/568070393.db2.gz UDANZIHQQZUBEG-NWDGAFQWSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)CC1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000603861019 568171042 /nfs/dbraw/zinc/17/10/42/568171042.db2.gz IUEMSHWVFRMHDU-UHFFFAOYSA-N -1 1 357.410 2.449 20 0 FEADMM CCOC(=O)CC1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000603861019 568171043 /nfs/dbraw/zinc/17/10/43/568171043.db2.gz IUEMSHWVFRMHDU-UHFFFAOYSA-N -1 1 357.410 2.449 20 0 FEADMM C[C@H]1COC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617949835 568301600 /nfs/dbraw/zinc/30/16/00/568301600.db2.gz WYCYBANPPOSZOC-LBPRGKRZSA-N -1 1 370.471 2.140 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NCC4)ccc2O1 ZINC000604972635 568464843 /nfs/dbraw/zinc/46/48/43/568464843.db2.gz NHWXENPTWAPYBY-NSHDSACASA-N -1 1 358.419 2.097 20 0 FEADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000738346277 598842382 /nfs/dbraw/zinc/84/23/82/598842382.db2.gz XGGRFEJJEDYESL-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM C[C@H](c1ccco1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736203391 598873439 /nfs/dbraw/zinc/87/34/39/598873439.db2.gz NLSKOOCQFOIMHI-SECBINFHSA-N -1 1 367.818 2.495 20 0 FEADMM C[C@H](c1ccco1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736203391 598873441 /nfs/dbraw/zinc/87/34/41/598873441.db2.gz NLSKOOCQFOIMHI-SECBINFHSA-N -1 1 367.818 2.495 20 0 FEADMM CC[C@H](CO)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736352938 598906146 /nfs/dbraw/zinc/90/61/46/598906146.db2.gz MQWLPYXMJBYROA-CYBMUJFWSA-N -1 1 372.454 2.165 20 0 FEADMM Fc1ccc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737655679 598936873 /nfs/dbraw/zinc/93/68/73/598936873.db2.gz BYSTXPWRPVULDD-UHFFFAOYSA-N -1 1 351.345 2.440 20 0 FEADMM Fc1ccc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737655679 598936875 /nfs/dbraw/zinc/93/68/75/598936875.db2.gz BYSTXPWRPVULDD-UHFFFAOYSA-N -1 1 351.345 2.440 20 0 FEADMM C[C@H]1Oc2ccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)cc2NC1=O ZINC000736306053 598955716 /nfs/dbraw/zinc/95/57/16/598955716.db2.gz ZWSXSKJRYGMQGV-SECBINFHSA-N -1 1 374.364 2.273 20 0 FEADMM C[C@H]1Oc2ccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)cc2NC1=O ZINC000736306053 598955718 /nfs/dbraw/zinc/95/57/18/598955718.db2.gz ZWSXSKJRYGMQGV-SECBINFHSA-N -1 1 374.364 2.273 20 0 FEADMM c1ncn(-c2cccc(Oc3c4ccccc4nnc3-c3nn[n-]n3)c2)n1 ZINC000738421716 598971040 /nfs/dbraw/zinc/97/10/40/598971040.db2.gz UKVQNZKYUAUHOL-UHFFFAOYSA-N -1 1 357.337 2.183 20 0 FEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000737073423 598985505 /nfs/dbraw/zinc/98/55/05/598985505.db2.gz CFIMXOMKFKCTHW-INIZCTEOSA-N -1 1 352.398 2.397 20 0 FEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000737073423 598985506 /nfs/dbraw/zinc/98/55/06/598985506.db2.gz CFIMXOMKFKCTHW-INIZCTEOSA-N -1 1 352.398 2.397 20 0 FEADMM Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737452865 598995786 /nfs/dbraw/zinc/99/57/86/598995786.db2.gz OUQMVEKFBPKSEJ-UHFFFAOYSA-N -1 1 369.332 2.236 20 0 FEADMM Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737452865 598995787 /nfs/dbraw/zinc/99/57/87/598995787.db2.gz OUQMVEKFBPKSEJ-UHFFFAOYSA-N -1 1 369.332 2.236 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738257638 599018077 /nfs/dbraw/zinc/01/80/77/599018077.db2.gz AGZFZDGXVSXAIM-UHFFFAOYSA-N -1 1 352.373 2.453 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738257638 599018078 /nfs/dbraw/zinc/01/80/78/599018078.db2.gz AGZFZDGXVSXAIM-UHFFFAOYSA-N -1 1 352.373 2.453 20 0 FEADMM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1[O-] ZINC000738090463 599215285 /nfs/dbraw/zinc/21/52/85/599215285.db2.gz VFRBVQURIXCQBW-UHFFFAOYSA-N -1 1 359.773 2.035 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000737200931 599224411 /nfs/dbraw/zinc/22/44/11/599224411.db2.gz OKNFDMKKOGLUHZ-HIFRSBDPSA-N -1 1 370.457 2.308 20 0 FEADMM O=C([O-])[C@@H]1CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000062133901 597526105 /nfs/dbraw/zinc/52/61/05/597526105.db2.gz GKWFARMMBVEXES-SECBINFHSA-N -1 1 352.188 2.406 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1ccccc1Cl ZINC000823583321 607328136 /nfs/dbraw/zinc/32/81/36/607328136.db2.gz NADXANDPWOTMJM-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cccc2cccnc21 ZINC000823583322 607328189 /nfs/dbraw/zinc/32/81/89/607328189.db2.gz NBWUABAECWDCDW-UHFFFAOYSA-N -1 1 370.369 2.355 20 0 FEADMM Clc1nsc(N2CC(c3nc4ccccc4[nH]3)C2)c1-c1nnn[n-]1 ZINC000822589843 607328851 /nfs/dbraw/zinc/32/88/51/607328851.db2.gz AVZHUPQMJUULHQ-UHFFFAOYSA-N -1 1 358.818 2.457 20 0 FEADMM Clc1nsc(N2CC(c3nc4ccccc4[nH]3)C2)c1-c1nn[n-]n1 ZINC000822589843 607328852 /nfs/dbraw/zinc/32/88/52/607328852.db2.gz AVZHUPQMJUULHQ-UHFFFAOYSA-N -1 1 358.818 2.457 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)n[nH]1 ZINC000819932699 598178863 /nfs/dbraw/zinc/17/88/63/598178863.db2.gz WOLKOJCYZBBUNX-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)[nH]1 ZINC000819932699 598178864 /nfs/dbraw/zinc/17/88/64/598178864.db2.gz WOLKOJCYZBBUNX-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000821345125 598204797 /nfs/dbraw/zinc/20/47/97/598204797.db2.gz KIFPIHZZVPKEME-SFHVURJKSA-N -1 1 353.422 2.447 20 0 FEADMM CCc1csc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000736698782 598243604 /nfs/dbraw/zinc/24/36/04/598243604.db2.gz JYVCFRSQIIWPNK-UHFFFAOYSA-N -1 1 373.442 2.174 20 0 FEADMM CC(C)Cc1ccc(C(=O)CCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735850036 598285971 /nfs/dbraw/zinc/28/59/71/598285971.db2.gz NJLSOPCIQQOVLC-UHFFFAOYSA-N -1 1 367.413 2.147 20 0 FEADMM Cc1ccn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822369373 607349642 /nfs/dbraw/zinc/34/96/42/607349642.db2.gz HLAFQUNCJCLMFF-UHFFFAOYSA-N -1 1 366.425 2.273 20 0 FEADMM Fc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1Br ZINC000737651433 598346648 /nfs/dbraw/zinc/34/66/48/598346648.db2.gz UPJUKBUVJCMDAD-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Fc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1Br ZINC000737651433 598346649 /nfs/dbraw/zinc/34/66/49/598346649.db2.gz UPJUKBUVJCMDAD-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(C2CCOCC2)n1 ZINC000822209463 607354476 /nfs/dbraw/zinc/35/44/76/607354476.db2.gz JYVVENMOBYEYMO-UHFFFAOYSA-N -1 1 359.415 2.037 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(C2CCOCC2)n1 ZINC000822209463 607354477 /nfs/dbraw/zinc/35/44/77/607354477.db2.gz JYVVENMOBYEYMO-UHFFFAOYSA-N -1 1 359.415 2.037 20 0 FEADMM COCCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736977181 598417405 /nfs/dbraw/zinc/41/74/05/598417405.db2.gz VDKAXMPGJSYKRU-UHFFFAOYSA-N -1 1 354.370 2.337 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000737201297 598422958 /nfs/dbraw/zinc/42/29/58/598422958.db2.gz QYBNLFAYFMKMCK-GFCCVEGCSA-N -1 1 366.425 2.394 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000737775834 598430301 /nfs/dbraw/zinc/43/03/01/598430301.db2.gz FLTZSBAXYHROCY-RKDXNWHRSA-N -1 1 364.196 2.396 20 0 FEADMM Fc1ccc([C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737649196 598457988 /nfs/dbraw/zinc/45/79/88/598457988.db2.gz LJUXECBKJBMCJV-LBPRGKRZSA-N -1 1 361.768 2.027 20 0 FEADMM Fc1ccc([C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737649196 598457989 /nfs/dbraw/zinc/45/79/89/598457989.db2.gz LJUXECBKJBMCJV-LBPRGKRZSA-N -1 1 361.768 2.027 20 0 FEADMM CC(C)[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1cccc(Cl)c1 ZINC000807993108 674437030 /nfs/dbraw/zinc/43/70/30/674437030.db2.gz XVEONRGONPMKHU-CQSZACIVSA-N -1 1 363.849 2.103 20 0 FEADMM O=C([N-]c1nncs1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738211804 598539476 /nfs/dbraw/zinc/53/94/76/598539476.db2.gz YIPMZBXDPZLJPQ-UHFFFAOYSA-N -1 1 369.366 2.143 20 0 FEADMM O=S(=O)(Oc1cccc2cccnc21)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738349081 598685596 /nfs/dbraw/zinc/68/55/96/598685596.db2.gz ZDUAHFZIIYGAJK-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737377876 598692016 /nfs/dbraw/zinc/69/20/16/598692016.db2.gz RGUVMXAGUYTXGJ-INIZCTEOSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1oc(NC(=O)CN(C)c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000822549160 607365161 /nfs/dbraw/zinc/36/51/61/607365161.db2.gz UNZKZBVBONUGIK-UHFFFAOYSA-N -1 1 362.340 2.430 20 0 FEADMM CC(C)c1nc2n(n1)C[C@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000735942205 598787135 /nfs/dbraw/zinc/78/71/35/598787135.db2.gz DVFUCYOUJPJCTP-SECBINFHSA-N -1 1 359.825 2.057 20 0 FEADMM CC(C)c1nc2n(n1)C[C@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000735942205 598787137 /nfs/dbraw/zinc/78/71/37/598787137.db2.gz DVFUCYOUJPJCTP-SECBINFHSA-N -1 1 359.825 2.057 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC/C=C\c2ccccc2)cc1-c1nn[n-]n1 ZINC000737186636 598799137 /nfs/dbraw/zinc/79/91/37/598799137.db2.gz KIZIVXFRBHMXKN-YVMONPNESA-N -1 1 368.422 2.132 20 0 FEADMM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737332388 599294543 /nfs/dbraw/zinc/29/45/43/599294543.db2.gz UJMAFCYQUULYJD-AWEZNQCLSA-N -1 1 374.426 2.079 20 0 FEADMM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737332388 599294544 /nfs/dbraw/zinc/29/45/44/599294544.db2.gz UJMAFCYQUULYJD-AWEZNQCLSA-N -1 1 374.426 2.079 20 0 FEADMM Cn1nccc1[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000737629710 599295412 /nfs/dbraw/zinc/29/54/12/599295412.db2.gz YPKXJPZBZCOQQA-MRVPVSSYSA-N -1 1 350.839 2.094 20 0 FEADMM Cn1nccc1[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000737629710 599295413 /nfs/dbraw/zinc/29/54/13/599295413.db2.gz YPKXJPZBZCOQQA-MRVPVSSYSA-N -1 1 350.839 2.094 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1C1CC1 ZINC000823601151 599343783 /nfs/dbraw/zinc/34/37/83/599343783.db2.gz UDSVCBWDIYIKOJ-GFCCVEGCSA-N -1 1 353.835 2.083 20 0 FEADMM O=S(=O)(N[C@@H](CC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823567006 599358328 /nfs/dbraw/zinc/35/83/28/599358328.db2.gz MJMIPCKUFQXXIG-INIZCTEOSA-N -1 1 370.438 2.081 20 0 FEADMM O=S(=O)(N[C@@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823567006 599358331 /nfs/dbraw/zinc/35/83/31/599358331.db2.gz MJMIPCKUFQXXIG-INIZCTEOSA-N -1 1 370.438 2.081 20 0 FEADMM O=c1[n-]c(Oc2ccc(-c3nn[nH]n3)cc2)nc2c1cnn2-c1ccccc1 ZINC000738374942 599363060 /nfs/dbraw/zinc/36/30/60/599363060.db2.gz UMHOTGVKNAERBQ-UHFFFAOYSA-N -1 1 372.348 2.494 20 0 FEADMM COc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1N1CCCC1=O ZINC000821723945 599408583 /nfs/dbraw/zinc/40/85/83/599408583.db2.gz NHLQNZLWPOEZDO-UHFFFAOYSA-N -1 1 354.370 2.207 20 0 FEADMM COc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1N1CCCC1=O ZINC000821723945 599408586 /nfs/dbraw/zinc/40/85/86/599408586.db2.gz NHLQNZLWPOEZDO-UHFFFAOYSA-N -1 1 354.370 2.207 20 0 FEADMM CN(CC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)C(=O)OC(C)(C)C ZINC000736793546 599429337 /nfs/dbraw/zinc/42/93/37/599429337.db2.gz XTTYIQHCZKMTMG-UHFFFAOYSA-N -1 1 373.461 2.345 20 0 FEADMM CN(CC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C(=O)OC(C)(C)C ZINC000736793546 599429339 /nfs/dbraw/zinc/42/93/39/599429339.db2.gz XTTYIQHCZKMTMG-UHFFFAOYSA-N -1 1 373.461 2.345 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627664 599430595 /nfs/dbraw/zinc/43/05/95/599430595.db2.gz NUSSGGOWXJYETD-LBPRGKRZSA-N -1 1 359.434 2.321 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627664 599430597 /nfs/dbraw/zinc/43/05/97/599430597.db2.gz NUSSGGOWXJYETD-LBPRGKRZSA-N -1 1 359.434 2.321 20 0 FEADMM CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCC1 ZINC000824839061 607852792 /nfs/dbraw/zinc/85/27/92/607852792.db2.gz XZWLBPSFVQWUKA-UHFFFAOYSA-N -1 1 361.349 2.106 20 0 FEADMM OC[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000823705330 599472548 /nfs/dbraw/zinc/47/25/48/599472548.db2.gz FXCWKVIWERCYOF-VIFPVBQESA-N -1 1 368.825 2.379 20 0 FEADMM OC[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000823705330 599472551 /nfs/dbraw/zinc/47/25/51/599472551.db2.gz FXCWKVIWERCYOF-VIFPVBQESA-N -1 1 368.825 2.379 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC ZINC000821034761 599492098 /nfs/dbraw/zinc/49/20/98/599492098.db2.gz SWSXQOJCQQLVIM-AWEZNQCLSA-N -1 1 374.401 2.163 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC ZINC000821034761 599492099 /nfs/dbraw/zinc/49/20/99/599492099.db2.gz SWSXQOJCQQLVIM-AWEZNQCLSA-N -1 1 374.401 2.163 20 0 FEADMM O=C(CNc1cc(-c2nnn[n-]2)nc2ccccc21)NCCc1ccccc1 ZINC000823009545 599504132 /nfs/dbraw/zinc/50/41/32/599504132.db2.gz MOMQBOJPOKCWNH-UHFFFAOYSA-N -1 1 373.420 2.186 20 0 FEADMM O=C(CNc1cc(-c2nn[n-]n2)nc2ccccc21)NCCc1ccccc1 ZINC000823009545 599504135 /nfs/dbraw/zinc/50/41/35/599504135.db2.gz MOMQBOJPOKCWNH-UHFFFAOYSA-N -1 1 373.420 2.186 20 0 FEADMM Clc1ccccc1N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000822585886 599579476 /nfs/dbraw/zinc/57/94/76/599579476.db2.gz OCSCYZLCJROAAT-LLVKDONJSA-N -1 1 356.821 2.391 20 0 FEADMM Clc1ccccc1N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000822585886 599579478 /nfs/dbraw/zinc/57/94/78/599579478.db2.gz OCSCYZLCJROAAT-LLVKDONJSA-N -1 1 356.821 2.391 20 0 FEADMM C[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(C(F)(F)F)c1 ZINC000735977652 599604160 /nfs/dbraw/zinc/60/41/60/599604160.db2.gz PYNIBJWCVSICPT-QMMMGPOBSA-N -1 1 365.319 2.498 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736443546 599716278 /nfs/dbraw/zinc/71/62/78/599716278.db2.gz RXQNOJLMQUJVKE-ZDUSSCGKSA-N -1 1 368.409 2.394 20 0 FEADMM CN1CCN(C[C@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC000580892489 599746299 /nfs/dbraw/zinc/74/62/99/599746299.db2.gz KNCCNAWJRIRSTJ-IBGZPJMESA-N -1 1 367.449 2.103 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(OC)c1OC ZINC000589939678 599747980 /nfs/dbraw/zinc/74/79/80/599747980.db2.gz KBFGCXFPEKWOKV-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM CC(C)C1CCC2(CC1)NC(=O)N(CN1CCCC[C@@H]1CC(=O)[O-])C2=O ZINC000736389850 599767867 /nfs/dbraw/zinc/76/78/67/599767867.db2.gz FSNWHXTXBINFRZ-XAUUPUKJSA-N -1 1 365.474 2.410 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@@H](CN2CCCC2)c2ccccc2)o1 ZINC000740174415 599769306 /nfs/dbraw/zinc/76/93/06/599769306.db2.gz XJOZDFMVAJWUHU-AWEZNQCLSA-N -1 1 364.423 2.093 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736652589 599799506 /nfs/dbraw/zinc/79/95/06/599799506.db2.gz IPVIGRVEYAAZKO-JTQLQIEISA-N -1 1 352.350 2.018 20 0 FEADMM CC(C)[C@@H](NC(=O)CNC(C)(C)C(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000736360120 599925977 /nfs/dbraw/zinc/92/59/77/599925977.db2.gz OVZCSIABNDOVCN-QGZVFWFLSA-N -1 1 364.442 2.114 20 0 FEADMM C[C@H]1c2ccccc2OCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736840052 600096348 /nfs/dbraw/zinc/09/63/48/600096348.db2.gz JPJBMGWGVLWYOO-MFVBVHDHSA-N -1 1 362.451 2.334 20 0 FEADMM COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000737996852 600100708 /nfs/dbraw/zinc/10/07/08/600100708.db2.gz KSKQSEICAWZNEM-KRWDZBQOSA-N -1 1 356.422 2.183 20 0 FEADMM Cc1cccc(N2CCN(C(=O)CNC3(C(=O)[O-])CCCCC3)CC2)c1 ZINC000738733425 600148326 /nfs/dbraw/zinc/14/83/26/600148326.db2.gz XBEUJXVUWBRHGZ-UHFFFAOYSA-N -1 1 359.470 2.021 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(F)c1 ZINC000737698878 600236505 /nfs/dbraw/zinc/23/65/05/600236505.db2.gz DUDYXLOGLVJGFU-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM C[C@H](C(=O)NCCSCC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000736216001 600251831 /nfs/dbraw/zinc/25/18/31/600251831.db2.gz SMBZBPRMYLIPSX-OAHLLOKOSA-N -1 1 364.511 2.264 20 0 FEADMM Cc1cccc(NC(=O)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C ZINC000738736402 600292885 /nfs/dbraw/zinc/29/28/85/600292885.db2.gz XGCPGFNQWGKIML-CQSZACIVSA-N -1 1 359.426 2.138 20 0 FEADMM Cc1cccc(NC[C@@H]2CCN(Cc3noc(CCCC(=O)[O-])n3)C2)n1 ZINC000738736814 600295997 /nfs/dbraw/zinc/29/59/97/600295997.db2.gz XAMNQAQDXCEYGQ-AWEZNQCLSA-N -1 1 359.430 2.114 20 0 FEADMM O=C([O-])C1(NCC(=O)N2CCc3[nH]c4ccccc4c3C2)CCCCC1 ZINC000739308672 600319540 /nfs/dbraw/zinc/31/95/40/600319540.db2.gz SZZBAZINXZGLDE-UHFFFAOYSA-N -1 1 355.438 2.430 20 0 FEADMM CC[C@H](C)CN(C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000736879998 600324440 /nfs/dbraw/zinc/32/44/40/600324440.db2.gz KSIGKAAYOIODAY-VIFPVBQESA-N -1 1 356.444 2.458 20 0 FEADMM COC(=O)c1c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])sc2c1CCCC2 ZINC000578872233 600368758 /nfs/dbraw/zinc/36/87/58/600368758.db2.gz TXKUFRXFWMICBF-JTQLQIEISA-N -1 1 368.455 2.005 20 0 FEADMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000738499905 600373722 /nfs/dbraw/zinc/37/37/22/600373722.db2.gz MVAQERPXYWNPRN-ZDUSSCGKSA-N -1 1 358.442 2.389 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000736812062 600387454 /nfs/dbraw/zinc/38/74/54/600387454.db2.gz SCJHHLCOWKEGBW-VXGBXAGGSA-N -1 1 353.394 2.145 20 0 FEADMM CC(C)N(CCC(=O)[O-])CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000736465832 600394140 /nfs/dbraw/zinc/39/41/40/600394140.db2.gz LDFIBYYRQAPCPY-UHFFFAOYSA-N -1 1 373.453 2.470 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)N(C)C ZINC000809122545 674484112 /nfs/dbraw/zinc/48/41/12/674484112.db2.gz SWVDJWNKCSMPJV-SNVBAGLBSA-N -1 1 358.407 2.158 20 0 FEADMM CCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CCC1 ZINC000737068677 600432960 /nfs/dbraw/zinc/43/29/60/600432960.db2.gz AGXYOCABQCYDJJ-UHFFFAOYSA-N -1 1 354.428 2.354 20 0 FEADMM Cc1ccc([C@H](C)NC(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1C ZINC000738553938 600514859 /nfs/dbraw/zinc/51/48/59/600514859.db2.gz XBRLDPICIIGYLO-WMZOPIPTSA-N -1 1 362.470 2.436 20 0 FEADMM CC[C@@](C)(NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000736861733 600559101 /nfs/dbraw/zinc/55/91/01/600559101.db2.gz UQNMGWIFLZGIDY-DNVCBOLYSA-N -1 1 364.442 2.210 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccsc3C(=O)[O-])cc21 ZINC000391609521 600612135 /nfs/dbraw/zinc/61/21/35/600612135.db2.gz ZFEUYDPHEZKWKU-UHFFFAOYSA-N -1 1 366.420 2.156 20 0 FEADMM Cc1cc(CNCCS(=O)(=O)C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000738388654 600652531 /nfs/dbraw/zinc/65/25/31/600652531.db2.gz LCSZRQXGWNMGAD-UHFFFAOYSA-N -1 1 357.472 2.070 20 0 FEADMM Cc1ccnc(-c2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)n1 ZINC000565676853 600682108 /nfs/dbraw/zinc/68/21/08/600682108.db2.gz CWIKESNZWGBAEE-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM C[C@](O)(CN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736669495 600761348 /nfs/dbraw/zinc/76/13/48/600761348.db2.gz CBLIVHYHSCKOQK-DOMZBBRYSA-N -1 1 361.225 2.232 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCN(C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000833321442 600816875 /nfs/dbraw/zinc/81/68/75/600816875.db2.gz SJRRKEIJBWOMAK-OAHLLOKOSA-N -1 1 368.861 2.214 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@H](N2CCC(n3ccnc3)CC2)C1=O ZINC000833336455 600821746 /nfs/dbraw/zinc/82/17/46/600821746.db2.gz RJXQDNYUIQIPBK-AWEZNQCLSA-N -1 1 360.439 2.085 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)C(=O)[O-] ZINC000736879580 600956313 /nfs/dbraw/zinc/95/63/13/600956313.db2.gz RBSVZWKWSHBRJN-SCLBCKFNSA-N -1 1 372.469 2.358 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccnc2)c(Br)c1 ZINC000020021899 600976242 /nfs/dbraw/zinc/97/62/42/600976242.db2.gz TYHASLYEHQLZQB-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM CCc1cc2c(CN3CCSC[C@H]3CC(=O)[O-])cc(=O)oc2cc1O ZINC000830224424 601020214 /nfs/dbraw/zinc/02/02/14/601020214.db2.gz NXVVQMKYHFXBSG-CYBMUJFWSA-N -1 1 363.435 2.453 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000833011387 601030135 /nfs/dbraw/zinc/03/01/35/601030135.db2.gz KKZRVVUPZLIHDX-LJQANCHMSA-N -1 1 356.426 2.271 20 0 FEADMM C[C@](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)(C(=O)[O-])C1CC1 ZINC000827728280 601036637 /nfs/dbraw/zinc/03/66/37/601036637.db2.gz QTVXCIFZCCCHGB-OAHLLOKOSA-N -1 1 370.331 2.363 20 0 FEADMM CCc1cc2c(C[N@H+](CC(=O)[O-])C3CCOCC3)cc(=O)oc2cc1[O-] ZINC000830223971 601045826 /nfs/dbraw/zinc/04/58/26/601045826.db2.gz CHNLCTIZWJSZKL-UHFFFAOYSA-N -1 1 361.394 2.127 20 0 FEADMM CCc1cc2c(C[N@@H+](CC(=O)[O-])C3CCOCC3)cc(=O)oc2cc1[O-] ZINC000830223971 601045828 /nfs/dbraw/zinc/04/58/28/601045828.db2.gz CHNLCTIZWJSZKL-UHFFFAOYSA-N -1 1 361.394 2.127 20 0 FEADMM C[C@@H](CN(CC(=O)Nc1nc(C2CC2)no1)Cc1ccccc1)C(=O)[O-] ZINC000827449466 601054766 /nfs/dbraw/zinc/05/47/66/601054766.db2.gz KSOBMJSKACLJDN-LBPRGKRZSA-N -1 1 358.398 2.108 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000827356389 601090350 /nfs/dbraw/zinc/09/03/50/601090350.db2.gz QZURGTUGFGSZES-XHPSBEMXSA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCSc2ccccc2F)CC1 ZINC000630224578 601092906 /nfs/dbraw/zinc/09/29/06/601092906.db2.gz QMBHEYCELSNHGS-ZDUSSCGKSA-N -1 1 354.447 2.315 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000630226890 601094108 /nfs/dbraw/zinc/09/41/08/601094108.db2.gz XGQADASHEXXLBP-GFCCVEGCSA-N -1 1 358.360 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCCOc2ccc(F)cc2F)CC1 ZINC000630222252 601100265 /nfs/dbraw/zinc/10/02/65/601100265.db2.gz FPSMUWPHOCHARJ-ZDUSSCGKSA-N -1 1 370.396 2.131 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)n[nH]1 ZINC000736300033 601100932 /nfs/dbraw/zinc/10/09/32/601100932.db2.gz RBVKLFWKYSTMKV-SECBINFHSA-N -1 1 364.427 2.076 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)[nH]1 ZINC000736300033 601100934 /nfs/dbraw/zinc/10/09/34/601100934.db2.gz RBVKLFWKYSTMKV-SECBINFHSA-N -1 1 364.427 2.076 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1 ZINC000630222984 601103831 /nfs/dbraw/zinc/10/38/31/601103831.db2.gz IHLGTWRXIPJNAK-GFCCVEGCSA-N -1 1 374.359 2.092 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc3ccccc3n2)CC1 ZINC000827355737 601107103 /nfs/dbraw/zinc/10/71/03/601107103.db2.gz MEJFAJZJYKOIEX-CDNLZTBQSA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000827374601 601124135 /nfs/dbraw/zinc/12/41/35/601124135.db2.gz JEJOMZKVTVWWEJ-NSHDSACASA-N -1 1 354.476 2.453 20 0 FEADMM O=C([O-])Nc1cc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)ccc1F ZINC000833283793 601128400 /nfs/dbraw/zinc/12/84/00/601128400.db2.gz WFNVDEVYHZRZJV-LBPRGKRZSA-N -1 1 366.393 2.102 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000827369017 601130054 /nfs/dbraw/zinc/13/00/54/601130054.db2.gz MATVIALGBNZVNC-CQSZACIVSA-N -1 1 360.458 2.082 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC000827374883 601133779 /nfs/dbraw/zinc/13/37/79/601133779.db2.gz NLYAEPDAMHCLAV-VIFPVBQESA-N -1 1 354.457 2.371 20 0 FEADMM CN(C)[C@@H](CNC(=O)Nc1ccn(CC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000830581593 601134114 /nfs/dbraw/zinc/13/41/14/601134114.db2.gz PMTOKMAWGJILTE-ZDUSSCGKSA-N -1 1 365.821 2.046 20 0 FEADMM Cc1nc([C@H]2CN(c3nc(C)nc4sc(C(=O)[O-])c(C)c43)CCO2)n[nH]1 ZINC000567978795 601213575 /nfs/dbraw/zinc/21/35/75/601213575.db2.gz RWWSVILUNZTRDQ-SNVBAGLBSA-N -1 1 374.426 2.011 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CSc1n[nH]c(=S)s1 ZINC000833180697 601277651 /nfs/dbraw/zinc/27/76/51/601277651.db2.gz GRIBXZLDAJTHII-VGMNWLOBSA-N -1 1 359.498 2.163 20 0 FEADMM O=C([O-])c1ccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1 ZINC000578626270 601278110 /nfs/dbraw/zinc/27/81/10/601278110.db2.gz HOHCGBIKORWRTP-UHFFFAOYSA-N -1 1 360.454 2.397 20 0 FEADMM COc1ccc(CNC(=O)N2CCC(c3cnc[nH]3)CC2)cc1C(=O)[O-] ZINC000832323244 601360632 /nfs/dbraw/zinc/36/06/32/601360632.db2.gz GCGOMXIDCGHXHY-UHFFFAOYSA-N -1 1 358.398 2.206 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2ccnc2)c1 ZINC000832208700 601361519 /nfs/dbraw/zinc/36/15/19/601361519.db2.gz NUPHDISODPNLQX-UHFFFAOYSA-N -1 1 373.390 2.380 20 0 FEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1cc(OC)ccc1F ZINC000832379006 601492404 /nfs/dbraw/zinc/49/24/04/601492404.db2.gz ZNIXWLVPLYTNFB-UHFFFAOYSA-N -1 1 361.372 2.403 20 0 FEADMM C[C@@H]1CN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@H]1C(=O)[O-] ZINC000828438895 601535356 /nfs/dbraw/zinc/53/53/56/601535356.db2.gz GSHBGLXVGBRGTO-PSASIEDQSA-N -1 1 370.331 2.173 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000828354147 601548684 /nfs/dbraw/zinc/54/86/84/601548684.db2.gz GITDTGGGLKDFGJ-UGFHNGPFSA-N -1 1 353.850 2.305 20 0 FEADMM CCn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC000830412277 601568572 /nfs/dbraw/zinc/56/85/72/601568572.db2.gz NHYJBZDZVLTOJB-MRXNPFEDSA-N -1 1 358.442 2.126 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000653534409 601615585 /nfs/dbraw/zinc/61/55/85/601615585.db2.gz LHHISBPTSIXVBX-LBPRGKRZSA-N -1 1 368.865 2.324 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)n[nH]1 ZINC000659774776 601815032 /nfs/dbraw/zinc/81/50/32/601815032.db2.gz OXROGZYHVVGFMW-UHFFFAOYSA-N -1 1 359.430 2.144 20 0 FEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000828422711 601842543 /nfs/dbraw/zinc/84/25/43/601842543.db2.gz IUOUJFVIKNEWIO-YGRLFVJLSA-N -1 1 360.863 2.045 20 0 FEADMM COc1cccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)c1 ZINC000820858529 601848562 /nfs/dbraw/zinc/84/85/62/601848562.db2.gz FMFQYQYHNGWIQV-SFHVURJKSA-N -1 1 371.437 2.496 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000635503113 601848946 /nfs/dbraw/zinc/84/89/46/601848946.db2.gz DGHSFRKOJWMPGT-UHFFFAOYSA-N -1 1 368.437 2.244 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000831961838 601870839 /nfs/dbraw/zinc/87/08/39/601870839.db2.gz NLBNGAHYMJJNJM-PXAZEXFGSA-N -1 1 366.458 2.278 20 0 FEADMM O=C([O-])NCCc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000740672677 601890992 /nfs/dbraw/zinc/89/09/92/601890992.db2.gz OXWZDHYQVLYSCN-UHFFFAOYSA-N -1 1 356.357 2.442 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000828020014 601933695 /nfs/dbraw/zinc/93/36/95/601933695.db2.gz GXMUKGQDAQTSDK-LJQANCHMSA-N -1 1 371.437 2.081 20 0 FEADMM O=C([O-])NC[C@H]1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000740641020 601945730 /nfs/dbraw/zinc/94/57/30/601945730.db2.gz HPRKEZUDARXRJU-MRXNPFEDSA-N -1 1 359.470 2.204 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738632252 601955145 /nfs/dbraw/zinc/95/51/45/601955145.db2.gz RKWFCOKOYVLPNN-QWRGUYRKSA-N -1 1 357.357 2.205 20 0 FEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000740641651 601964261 /nfs/dbraw/zinc/96/42/61/601964261.db2.gz KAFYZLXIOJNJOS-SFHVURJKSA-N -1 1 359.470 2.057 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000832917947 602017099 /nfs/dbraw/zinc/01/70/99/602017099.db2.gz RNDOMXJSYREBAX-YPMHNXCESA-N -1 1 371.393 2.407 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)NC(=O)[O-])N2CCCC2)o1 ZINC000740118573 602021179 /nfs/dbraw/zinc/02/11/79/602021179.db2.gz RBBJMJUMSJKNRJ-TZMCWYRMSA-N -1 1 352.435 2.070 20 0 FEADMM O=C([O-])NC[C@H]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000740644068 602045203 /nfs/dbraw/zinc/04/52/03/602045203.db2.gz WWEZVYDTSLRYNX-QGZVFWFLSA-N -1 1 371.437 2.398 20 0 FEADMM CCO[C@H]1C[C@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C12CCC2 ZINC000829917849 602058431 /nfs/dbraw/zinc/05/84/31/602058431.db2.gz JPPOURGRIJMUEP-GJZGRUSLSA-N -1 1 352.475 2.170 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000827996345 602061570 /nfs/dbraw/zinc/06/15/70/602061570.db2.gz MXQPJBKCMDLMPP-IBGZPJMESA-N -1 1 363.433 2.296 20 0 FEADMM O=C([O-])c1ccc(-c2nc(COC(=O)CCc3nc[nH]n3)cs2)cc1 ZINC000833104226 602089428 /nfs/dbraw/zinc/08/94/28/602089428.db2.gz FNTBIEWTEZOUOV-UHFFFAOYSA-N -1 1 358.379 2.302 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC3(CCC3)C2)c1 ZINC000831363567 602239697 /nfs/dbraw/zinc/23/96/97/602239697.db2.gz DPDQZXUIGLERAN-GFCCVEGCSA-N -1 1 360.410 2.374 20 0 FEADMM Cc1ccc(C(=O)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)cc1F ZINC000740109357 602257594 /nfs/dbraw/zinc/25/75/94/602257594.db2.gz PALGPHYBHAWMKM-UHFFFAOYSA-N -1 1 363.433 2.282 20 0 FEADMM CN1CCN(c2ccc(NC(=O)c3ccc(CNC(=O)[O-])cc3)cc2)CC1 ZINC000739735709 602266976 /nfs/dbraw/zinc/26/69/76/602266976.db2.gz DONQQVMSDHCWPH-UHFFFAOYSA-N -1 1 368.437 2.458 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)c2cn[nH]c2-c2ccncc2)c1 ZINC000740668361 602283869 /nfs/dbraw/zinc/28/38/69/602283869.db2.gz PPDJSPPIDXELDS-UHFFFAOYSA-N -1 1 367.365 2.370 20 0 FEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000736366515 602312639 /nfs/dbraw/zinc/31/26/39/602312639.db2.gz YEOQZUDLJXPXNV-OAHLLOKOSA-N -1 1 371.441 2.470 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN(Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000833190045 602340979 /nfs/dbraw/zinc/34/09/79/602340979.db2.gz IUMGKSKFDPCYQU-UHFFFAOYSA-N -1 1 374.481 2.117 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)N2CCCC2)c1 ZINC000738090703 602343065 /nfs/dbraw/zinc/34/30/65/602343065.db2.gz HYYAMGVMGQBRBG-IRXDYDNUSA-N -1 1 363.458 2.241 20 0 FEADMM Cc1ccc(CNC(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)cc1F ZINC000740126276 602448107 /nfs/dbraw/zinc/44/81/07/602448107.db2.gz LEPFENZAEPDKJT-ZDUSSCGKSA-N -1 1 351.422 2.118 20 0 FEADMM CCOc1cccc(CNC(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000739503518 602448650 /nfs/dbraw/zinc/44/86/50/602448650.db2.gz IMBDWTPERDLTJQ-AWEZNQCLSA-N -1 1 363.458 2.070 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000739100411 602448863 /nfs/dbraw/zinc/44/88/63/602448863.db2.gz PSDOECKIMRMWKW-HLLBOEOZSA-N -1 1 369.506 2.066 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000739016650 602450790 /nfs/dbraw/zinc/45/07/90/602450790.db2.gz QRDVFLACBHODGW-CHWSQXEVSA-N -1 1 365.499 2.389 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000739016674 602463480 /nfs/dbraw/zinc/46/34/80/602463480.db2.gz QYTMWSXYGPOPFS-OLZOCXBDSA-N -1 1 353.488 2.163 20 0 FEADMM O=C([O-])N[C@H]1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000738655805 602493274 /nfs/dbraw/zinc/49/32/74/602493274.db2.gz PBGULPIULBXMPO-VIFPVBQESA-N -1 1 367.203 2.198 20 0 FEADMM CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739334164 602531864 /nfs/dbraw/zinc/53/18/64/602531864.db2.gz YBGWYWWVZNOSRY-KGLIPLIRSA-N -1 1 352.435 2.412 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739440963 602537093 /nfs/dbraw/zinc/53/70/93/602537093.db2.gz IXAOEZRCRSBRTN-OAHLLOKOSA-N -1 1 351.422 2.106 20 0 FEADMM CN(C[C@@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1)C(=O)[O-] ZINC000739663607 602537848 /nfs/dbraw/zinc/53/78/48/602537848.db2.gz DVIICSVGAHRBEP-SMDDNHRTSA-N -1 1 357.248 2.414 20 0 FEADMM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nc2ccccc2c(=O)n1C ZINC000739102630 602553843 /nfs/dbraw/zinc/55/38/43/602553843.db2.gz SDUDTRFIKHDHLM-BFUOFWGJSA-N -1 1 358.442 2.240 20 0 FEADMM COc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826217182 607575624 /nfs/dbraw/zinc/57/56/24/607575624.db2.gz AWRNACRHZFOYPA-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739653036 602620594 /nfs/dbraw/zinc/62/05/94/602620594.db2.gz YUMFELKVFHJNSD-XJKSGUPXSA-N -1 1 366.437 2.070 20 0 FEADMM C[C@@H](c1nc(C2CC2)no1)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000739066126 602677820 /nfs/dbraw/zinc/67/78/20/602677820.db2.gz WVFWIAWYKOACAG-ZDUSSCGKSA-N -1 1 363.462 2.016 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740232632 602692002 /nfs/dbraw/zinc/69/20/02/602692002.db2.gz HQEZFLYCHJCSLZ-UHFFFAOYSA-N -1 1 373.344 2.462 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000738963353 602770228 /nfs/dbraw/zinc/77/02/28/602770228.db2.gz XDBUVMOEJSSTGJ-HUBLWGQQSA-N -1 1 353.850 2.495 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)NC(=O)[O-] ZINC000738789113 602792869 /nfs/dbraw/zinc/79/28/69/602792869.db2.gz RISMFHMPKGOOMS-ZIAGYGMSSA-N -1 1 352.435 2.008 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)NC(=O)[O-] ZINC000738782492 602826827 /nfs/dbraw/zinc/82/68/27/602826827.db2.gz AJWSQKCFHMESTE-CABCVRRESA-N -1 1 354.426 2.020 20 0 FEADMM C[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@H](C)N1C(=O)[O-] ZINC000739178998 602835181 /nfs/dbraw/zinc/83/51/81/602835181.db2.gz ATLWBBKEJWCDTC-BETUJISGSA-N -1 1 351.472 2.096 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C[C@H](C)N1C(=O)[O-] ZINC000739133986 602882552 /nfs/dbraw/zinc/88/25/52/602882552.db2.gz JRLHAHZOMCRTNN-QLFBSQMISA-N -1 1 364.446 2.199 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000740078728 602937449 /nfs/dbraw/zinc/93/74/49/602937449.db2.gz CJCMFZDWRRYFMZ-RDJZCZTQSA-N -1 1 360.458 2.122 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739604744 602960460 /nfs/dbraw/zinc/96/04/60/602960460.db2.gz ACHXOSPJUJTHMF-JKSUJKDBSA-N -1 1 366.437 2.260 20 0 FEADMM CC(C)N(Cc1ccco1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824297704 607599998 /nfs/dbraw/zinc/59/99/98/607599998.db2.gz ZNSLKOOONCNYHI-UHFFFAOYSA-N -1 1 365.390 2.198 20 0 FEADMM CC(C)N(Cc1ccco1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824297704 607599999 /nfs/dbraw/zinc/59/99/99/607599999.db2.gz ZNSLKOOONCNYHI-UHFFFAOYSA-N -1 1 365.390 2.198 20 0 FEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739606881 603027406 /nfs/dbraw/zinc/02/74/06/603027406.db2.gz HHPYNAJEDKXKNC-MSOLQXFVSA-N -1 1 355.438 2.284 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cc(F)cc(F)c2)c1-c1nn[n-]n1 ZINC000826303740 607603487 /nfs/dbraw/zinc/60/34/87/607603487.db2.gz CCELAMYBXXYPJS-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccsc1 ZINC000739605812 603092138 /nfs/dbraw/zinc/09/21/38/603092138.db2.gz CTPIDTFEVDHSSC-RUXDESIVSA-N -1 1 354.476 2.229 20 0 FEADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000832513286 603135659 /nfs/dbraw/zinc/13/56/59/603135659.db2.gz IUIZALSMARKADD-PELKAZGASA-N -1 1 366.361 2.209 20 0 FEADMM C[C@@H]1CCC[C@H](C)[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824929139 607618765 /nfs/dbraw/zinc/61/87/65/607618765.db2.gz WITJTNSTBBBBAC-MSRIBSCDSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CCC[C@H](C)[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824929139 607618768 /nfs/dbraw/zinc/61/87/68/607618768.db2.gz WITJTNSTBBBBAC-MSRIBSCDSA-N -1 1 353.423 2.109 20 0 FEADMM CN(CCCNC(=O)[O-])C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739677707 603280481 /nfs/dbraw/zinc/28/04/81/603280481.db2.gz JFMWZEQTMPHMPE-UHFFFAOYSA-N -1 1 366.437 2.089 20 0 FEADMM C[C@H](CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)NC(=O)[O-] ZINC000824678622 603284165 /nfs/dbraw/zinc/28/41/65/603284165.db2.gz DEHWMTSKVYJIQN-LLVKDONJSA-N -1 1 354.838 2.077 20 0 FEADMM O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462455 607620981 /nfs/dbraw/zinc/62/09/81/607620981.db2.gz YUGQJDBAQBQIGW-LLVKDONJSA-N -1 1 350.260 2.117 20 0 FEADMM O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462455 607620983 /nfs/dbraw/zinc/62/09/83/607620983.db2.gz YUGQJDBAQBQIGW-LLVKDONJSA-N -1 1 350.260 2.117 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@](C)(O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809985498 674523757 /nfs/dbraw/zinc/52/37/57/674523757.db2.gz OSPYMEBCLAPRQT-CQSZACIVSA-N -1 1 365.402 2.488 20 0 FEADMM O=C([O-])Nc1ccc(CNCC(=O)Nc2ccc(F)c(F)c2F)cn1 ZINC000832842140 603533993 /nfs/dbraw/zinc/53/39/93/603533993.db2.gz OKDZXABNHJIGLV-UHFFFAOYSA-N -1 1 354.288 2.317 20 0 FEADMM CCc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825723307 607641493 /nfs/dbraw/zinc/64/14/93/607641493.db2.gz XDHRWUPQELHPAJ-UHFFFAOYSA-N -1 1 361.402 2.047 20 0 FEADMM CCc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825723307 607641494 /nfs/dbraw/zinc/64/14/94/607641494.db2.gz XDHRWUPQELHPAJ-UHFFFAOYSA-N -1 1 361.402 2.047 20 0 FEADMM CN(C)[C@@H](CNC(=O)C1(CNC(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000827996172 603638065 /nfs/dbraw/zinc/63/80/65/603638065.db2.gz VOUCIHRRZVZBRY-HNNXBMFYSA-N -1 1 351.422 2.373 20 0 FEADMM COc1cc(NC(=O)CCSc2nnc(C)[nH]2)ccc1NC(=O)[O-] ZINC000829153406 603665657 /nfs/dbraw/zinc/66/56/57/603665657.db2.gz CHVSFHZUBRSMGL-UHFFFAOYSA-N -1 1 351.388 2.333 20 0 FEADMM CN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CCC(NC(=O)[O-])CC1 ZINC000828115657 603835458 /nfs/dbraw/zinc/83/54/58/603835458.db2.gz VSOMJRPUJJEQPD-UHFFFAOYSA-N -1 1 365.478 2.167 20 0 FEADMM O=C([O-])N1CCc2cccc(CN[C@@H]3CCCc4c3cnn4CCO)c21 ZINC000832087520 603856362 /nfs/dbraw/zinc/85/63/62/603856362.db2.gz WUPPSWNUHCYCGX-MRXNPFEDSA-N -1 1 356.426 2.083 20 0 FEADMM O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000826493712 607663312 /nfs/dbraw/zinc/66/33/12/607663312.db2.gz YSIRZCAZWNVMQA-UHFFFAOYSA-N -1 1 371.422 2.235 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827994680 603970102 /nfs/dbraw/zinc/97/01/02/603970102.db2.gz MWJLMVZOCVSMNV-BPLDGKMQSA-N -1 1 353.850 2.495 20 0 FEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000824959340 604045730 /nfs/dbraw/zinc/04/57/30/604045730.db2.gz KTIADUSMGPVZKS-BXUZGUMPSA-N -1 1 356.854 2.240 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000826669617 604104320 /nfs/dbraw/zinc/10/43/20/604104320.db2.gz XVIQTAQGUDXVEL-HZPDHXFCSA-N -1 1 369.506 2.305 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000825252676 604203175 /nfs/dbraw/zinc/20/31/75/604203175.db2.gz FTTXOESKRCAGFR-OYDALLEOSA-N -1 1 363.502 2.440 20 0 FEADMM O=C([O-])N(CC1CC1)C1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000831826638 604236985 /nfs/dbraw/zinc/23/69/85/604236985.db2.gz SEVAKRBNNYQZHO-UHFFFAOYSA-N -1 1 370.453 2.251 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000825226743 604264800 /nfs/dbraw/zinc/26/48/00/604264800.db2.gz CIDAHEOOPROLBR-TZMCWYRMSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000825226743 604264802 /nfs/dbraw/zinc/26/48/02/604264802.db2.gz CIDAHEOOPROLBR-TZMCWYRMSA-N -1 1 372.429 2.049 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000821058424 604304250 /nfs/dbraw/zinc/30/42/50/604304250.db2.gz OMZVEFBGXZUDMP-CYBMUJFWSA-N -1 1 360.439 2.338 20 0 FEADMM Cc1nc2ccnn2c(C)c1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833757315 604502545 /nfs/dbraw/zinc/50/25/45/604502545.db2.gz XDSZQCQYSXCOFF-UHFFFAOYSA-N -1 1 350.338 2.173 20 0 FEADMM O=C([O-])c1csc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000833342699 604525352 /nfs/dbraw/zinc/52/53/52/604525352.db2.gz OOUONTLZLLXFGB-UHFFFAOYSA-N -1 1 353.444 2.022 20 0 FEADMM CC(C)(O)[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833463082 604653624 /nfs/dbraw/zinc/65/36/24/604653624.db2.gz BAJXICUDYFLDLC-ZDUSSCGKSA-N -1 1 366.483 2.499 20 0 FEADMM CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833467543 604687463 /nfs/dbraw/zinc/68/74/63/604687463.db2.gz YBMRRRCLCOBBFB-UHFFFAOYSA-N -1 1 363.395 2.175 20 0 FEADMM COCc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1 ZINC000826164663 607715119 /nfs/dbraw/zinc/71/51/19/607715119.db2.gz KGKLBYRKCGAMJN-UHFFFAOYSA-N -1 1 362.393 2.080 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])C12CCCC2 ZINC000833662250 604952603 /nfs/dbraw/zinc/95/26/03/604952603.db2.gz ZHWZEXBWEPVLDW-OWCLPIDISA-N -1 1 354.491 2.272 20 0 FEADMM CC(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1CC(=O)[O-])C2=O ZINC000826727022 604981093 /nfs/dbraw/zinc/98/10/93/604981093.db2.gz GOJZCDPRKJNRDS-TXKKKEFDSA-N -1 1 351.447 2.020 20 0 FEADMM CCN1C[C@@H](C)[C@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1 ZINC000833655566 605041778 /nfs/dbraw/zinc/04/17/78/605041778.db2.gz DRIOEWOAEJFZSF-ZYHUDNBSSA-N -1 1 368.480 2.218 20 0 FEADMM CN(CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)[C@H]1CCSC1 ZINC000833691104 605056294 /nfs/dbraw/zinc/05/62/94/605056294.db2.gz JOQUGRYQRJEICG-INIZCTEOSA-N -1 1 350.484 2.317 20 0 FEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833548774 605074050 /nfs/dbraw/zinc/07/40/50/605074050.db2.gz MQNRVCYHQQBXON-ZDUSSCGKSA-N -1 1 362.451 2.154 20 0 FEADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000824886188 607734106 /nfs/dbraw/zinc/73/41/06/607734106.db2.gz WLDBKTPSZDACOE-RYUDHWBXSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000824886188 607734107 /nfs/dbraw/zinc/73/41/07/607734107.db2.gz WLDBKTPSZDACOE-RYUDHWBXSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000833621234 605103174 /nfs/dbraw/zinc/10/31/74/605103174.db2.gz MWQJIOSPVNKJFI-JOAKQRRISA-N -1 1 371.231 2.063 20 0 FEADMM C[C@@H]1CCc2c(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)csc2C1 ZINC000833617963 605108570 /nfs/dbraw/zinc/10/85/70/605108570.db2.gz XNLIIMRDGWEYDD-OLZOCXBDSA-N -1 1 350.484 2.494 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833541121 605114086 /nfs/dbraw/zinc/11/40/86/605114086.db2.gz YXXFQXRZQBNQSJ-NEPJUHHUSA-N -1 1 372.824 2.254 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000833627117 605139612 /nfs/dbraw/zinc/13/96/12/605139612.db2.gz UEXIDSNJUNVSAC-OAHLLOKOSA-N -1 1 372.469 2.291 20 0 FEADMM CC(C)Cc1nnc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)s1 ZINC000824310575 605157619 /nfs/dbraw/zinc/15/76/19/605157619.db2.gz DGIJQPGPFWUFAE-UHFFFAOYSA-N -1 1 369.491 2.186 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000833627211 605159912 /nfs/dbraw/zinc/15/99/12/605159912.db2.gz UTHGLRABRSQVPI-CQSZACIVSA-N -1 1 369.421 2.075 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000833624420 605168569 /nfs/dbraw/zinc/16/85/69/605168569.db2.gz ICCLIUABRWJUSF-JTQLQIEISA-N -1 1 366.368 2.122 20 0 FEADMM O[C@@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCc2ccccc21 ZINC000826506048 607739520 /nfs/dbraw/zinc/73/95/20/607739520.db2.gz LRWSTPULUBLDDU-LJQANCHMSA-N -1 1 359.393 2.056 20 0 FEADMM O[C@@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCc2ccccc21 ZINC000826506048 607739521 /nfs/dbraw/zinc/73/95/21/607739521.db2.gz LRWSTPULUBLDDU-LJQANCHMSA-N -1 1 359.393 2.056 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000833628390 605194460 /nfs/dbraw/zinc/19/44/60/605194460.db2.gz HKGGRPAEQUDBJZ-MRVPVSSYSA-N -1 1 352.303 2.363 20 0 FEADMM CC(C)COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ccco1 ZINC000577175261 605199274 /nfs/dbraw/zinc/19/92/74/605199274.db2.gz NEBYTDQFHDXHOV-LBPRGKRZSA-N -1 1 357.384 2.263 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833539677 605257511 /nfs/dbraw/zinc/25/75/11/605257511.db2.gz PCZXIZWGTQBAGU-NWDGAFQWSA-N -1 1 372.824 2.254 20 0 FEADMM CC(C)(CO)N1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833461767 605266086 /nfs/dbraw/zinc/26/60/86/605266086.db2.gz KBVACIQHKNQNEI-CQSZACIVSA-N -1 1 360.376 2.220 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=CC3CCOCC3)cc2)n1 ZINC000832730922 605439849 /nfs/dbraw/zinc/43/98/49/605439849.db2.gz XNLYTSUPZKIMDI-BHQIHCQQSA-N -1 1 371.397 2.161 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)/C=C\C3CCOCC3)cc2)n[nH]1 ZINC000832730922 605439851 /nfs/dbraw/zinc/43/98/51/605439851.db2.gz XNLYTSUPZKIMDI-BHQIHCQQSA-N -1 1 371.397 2.161 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000833405616 605493518 /nfs/dbraw/zinc/49/35/18/605493518.db2.gz XCKHBAPJJCULFX-COXVUDFISA-N -1 1 362.470 2.118 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000825815960 605504801 /nfs/dbraw/zinc/50/48/01/605504801.db2.gz GTMOBAQMILPTMS-BNOWGMLFSA-N -1 1 354.476 2.181 20 0 FEADMM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000832356364 605539766 /nfs/dbraw/zinc/53/97/66/605539766.db2.gz CCWRZUCRMZNLRV-VXGBXAGGSA-N -1 1 358.402 2.412 20 0 FEADMM O=C([O-])Nc1ccc(Cc2nc(C(=O)OCCc3c[nH]nn3)cs2)cc1 ZINC000834259758 605591601 /nfs/dbraw/zinc/59/16/01/605591601.db2.gz DPBJDZLDTHDTSF-UHFFFAOYSA-N -1 1 373.394 2.341 20 0 FEADMM O=C([O-])Nc1ccc(Cc2nc(C(=O)OCCc3cnn[nH]3)cs2)cc1 ZINC000834259758 605591604 /nfs/dbraw/zinc/59/16/04/605591604.db2.gz DPBJDZLDTHDTSF-UHFFFAOYSA-N -1 1 373.394 2.341 20 0 FEADMM Cc1nc([C@H]2CCCN(C(=O)[C@@H]3c4ccccc4CCN3C(=O)[O-])C2)n[nH]1 ZINC000830735027 605795171 /nfs/dbraw/zinc/79/51/71/605795171.db2.gz OZGJYPUNXLNIBD-HOCLYGCPSA-N -1 1 369.425 2.097 20 0 FEADMM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000833808808 605819778 /nfs/dbraw/zinc/81/97/78/605819778.db2.gz QNPPOFZATKXAMU-KGLIPLIRSA-N -1 1 352.435 2.010 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833831188 605899108 /nfs/dbraw/zinc/89/91/08/605899108.db2.gz MLFRTWMJKKNGJH-AGIUHOORSA-N -1 1 369.412 2.462 20 0 FEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000834049190 605919637 /nfs/dbraw/zinc/91/96/37/605919637.db2.gz MZTFEMNGHIVJQU-CYBMUJFWSA-N -1 1 373.388 2.007 20 0 FEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000834049190 605919640 /nfs/dbraw/zinc/91/96/40/605919640.db2.gz MZTFEMNGHIVJQU-CYBMUJFWSA-N -1 1 373.388 2.007 20 0 FEADMM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000559071502 674526875 /nfs/dbraw/zinc/52/68/75/674526875.db2.gz RTSFQEDDVBRASZ-GHMZBOCLSA-N -1 1 369.409 2.311 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3CCCCS3)cc2)n1 ZINC000834247716 606057256 /nfs/dbraw/zinc/05/72/56/606057256.db2.gz UTUGXSCQYJFSQN-GFCCVEGCSA-N -1 1 361.427 2.464 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3CCCCS3)cc2)n[nH]1 ZINC000834247716 606057262 /nfs/dbraw/zinc/05/72/62/606057262.db2.gz UTUGXSCQYJFSQN-GFCCVEGCSA-N -1 1 361.427 2.464 20 0 FEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(C)(C)C ZINC000820026123 606133355 /nfs/dbraw/zinc/13/33/55/606133355.db2.gz ICRRCKFLZZIEKG-NSHDSACASA-N -1 1 351.432 2.024 20 0 FEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(C)(C)C ZINC000820026123 606133357 /nfs/dbraw/zinc/13/33/57/606133357.db2.gz ICRRCKFLZZIEKG-NSHDSACASA-N -1 1 351.432 2.024 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)C1CCCCC1 ZINC000820508478 606133696 /nfs/dbraw/zinc/13/36/96/606133696.db2.gz PQYLFCZENOTTNO-JTQLQIEISA-N -1 1 363.443 2.265 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)C1CCCCC1 ZINC000820508478 606133698 /nfs/dbraw/zinc/13/36/98/606133698.db2.gz PQYLFCZENOTTNO-JTQLQIEISA-N -1 1 363.443 2.265 20 0 FEADMM CC(C)N(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000820111608 606137150 /nfs/dbraw/zinc/13/71/50/606137150.db2.gz BYACKRLRPUJIRF-UHFFFAOYSA-N -1 1 363.443 2.265 20 0 FEADMM CC(C)N(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000820111608 606137153 /nfs/dbraw/zinc/13/71/53/606137153.db2.gz BYACKRLRPUJIRF-UHFFFAOYSA-N -1 1 363.443 2.265 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822248948 606141027 /nfs/dbraw/zinc/14/10/27/606141027.db2.gz VSQRPAAUGSASKE-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822248948 606141030 /nfs/dbraw/zinc/14/10/30/606141030.db2.gz VSQRPAAUGSASKE-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C(C)(C)C1 ZINC000820767103 606145973 /nfs/dbraw/zinc/14/59/73/606145973.db2.gz GDRCPVPVIZLXCB-SECBINFHSA-N -1 1 355.851 2.329 20 0 FEADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCCc2ccccc21 ZINC000821572158 606158235 /nfs/dbraw/zinc/15/82/35/606158235.db2.gz TUDUILUSBZDXQQ-CQSZACIVSA-N -1 1 352.402 2.142 20 0 FEADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCCc2ccccc21 ZINC000821572158 606158236 /nfs/dbraw/zinc/15/82/36/606158236.db2.gz TUDUILUSBZDXQQ-CQSZACIVSA-N -1 1 352.402 2.142 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000822609869 606160189 /nfs/dbraw/zinc/16/01/89/606160189.db2.gz XNWADFMSJNDEBO-CYBMUJFWSA-N -1 1 356.365 2.108 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000822609869 606160191 /nfs/dbraw/zinc/16/01/91/606160191.db2.gz XNWADFMSJNDEBO-CYBMUJFWSA-N -1 1 356.365 2.108 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000820379761 606160560 /nfs/dbraw/zinc/16/05/60/606160560.db2.gz GNSLEPDHNRFPPB-MRVPVSSYSA-N -1 1 369.414 2.093 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000820379761 606160563 /nfs/dbraw/zinc/16/05/63/606160563.db2.gz GNSLEPDHNRFPPB-MRVPVSSYSA-N -1 1 369.414 2.093 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820727585 606195062 /nfs/dbraw/zinc/19/50/62/606195062.db2.gz MTTPSEUCKBGRLR-XPTSAGLGSA-N -1 1 370.392 2.184 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820727585 606195064 /nfs/dbraw/zinc/19/50/64/606195064.db2.gz MTTPSEUCKBGRLR-XPTSAGLGSA-N -1 1 370.392 2.184 20 0 FEADMM Cc1ccnc(NC(=O)CN(C)c2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000822374179 606216733 /nfs/dbraw/zinc/21/67/33/606216733.db2.gz KLXXTIFYKOFZRJ-UHFFFAOYSA-N -1 1 374.408 2.193 20 0 FEADMM Cc1ccnc(NC(=O)CN(C)c2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000822374179 606216735 /nfs/dbraw/zinc/21/67/35/606216735.db2.gz KLXXTIFYKOFZRJ-UHFFFAOYSA-N -1 1 374.408 2.193 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(O[C@H]2CCOC2)CC1 ZINC000823792472 606244712 /nfs/dbraw/zinc/24/47/12/606244712.db2.gz UTAPYSFKFPJHSN-AWEZNQCLSA-N -1 1 366.425 2.189 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC(O[C@H]2CCOC2)CC1 ZINC000823792472 606244713 /nfs/dbraw/zinc/24/47/13/606244713.db2.gz UTAPYSFKFPJHSN-AWEZNQCLSA-N -1 1 366.425 2.189 20 0 FEADMM Cc1ccnn1-c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822379605 606295290 /nfs/dbraw/zinc/29/52/90/606295290.db2.gz QSOPDMCXYHQUOM-UHFFFAOYSA-N -1 1 361.365 2.319 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(=O)[nH]c2cc(F)ccc21 ZINC000823294549 606295957 /nfs/dbraw/zinc/29/59/57/606295957.db2.gz GPWFLZGFLHDDRZ-UHFFFAOYSA-N -1 1 366.312 2.218 20 0 FEADMM CC[C@H](C)CN(CC)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820868906 606300231 /nfs/dbraw/zinc/30/02/31/606300231.db2.gz CFBFXHDCUQREGQ-VIFPVBQESA-N -1 1 350.448 2.197 20 0 FEADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000823707338 606467944 /nfs/dbraw/zinc/46/79/44/606467944.db2.gz ZZVNLCAZPHZEFI-JTQLQIEISA-N -1 1 352.732 2.339 20 0 FEADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000823707338 606467945 /nfs/dbraw/zinc/46/79/45/606467945.db2.gz ZZVNLCAZPHZEFI-JTQLQIEISA-N -1 1 352.732 2.339 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000821658698 606500450 /nfs/dbraw/zinc/50/04/50/606500450.db2.gz FPFLIOCFYUEMLH-QMMMGPOBSA-N -1 1 363.424 2.024 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000821658698 606500452 /nfs/dbraw/zinc/50/04/52/606500452.db2.gz FPFLIOCFYUEMLH-QMMMGPOBSA-N -1 1 363.424 2.024 20 0 FEADMM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC000823535888 606509547 /nfs/dbraw/zinc/50/95/47/606509547.db2.gz LHWPSYCOOXERPP-UHFFFAOYSA-N -1 1 358.358 2.204 20 0 FEADMM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC000823535888 606509549 /nfs/dbraw/zinc/50/95/49/606509549.db2.gz LHWPSYCOOXERPP-UHFFFAOYSA-N -1 1 358.358 2.204 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(COc2ccc(F)cc2)o1 ZINC000823290232 606531395 /nfs/dbraw/zinc/53/13/95/606531395.db2.gz VIGLTAYKIMRDAE-UHFFFAOYSA-N -1 1 369.316 2.153 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000823290232 606531397 /nfs/dbraw/zinc/53/13/97/606531397.db2.gz VIGLTAYKIMRDAE-UHFFFAOYSA-N -1 1 369.316 2.153 20 0 FEADMM Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000822197732 606553792 /nfs/dbraw/zinc/55/37/92/606553792.db2.gz NCFAZGPRXKQCJA-GFCCVEGCSA-N -1 1 357.443 2.219 20 0 FEADMM Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000822197732 606553793 /nfs/dbraw/zinc/55/37/93/606553793.db2.gz NCFAZGPRXKQCJA-GFCCVEGCSA-N -1 1 357.443 2.219 20 0 FEADMM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822034564 606565146 /nfs/dbraw/zinc/56/51/46/606565146.db2.gz HFPNORLZZIGIHS-XMMPIXPASA-N -1 1 361.452 2.367 20 0 FEADMM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822034564 606565148 /nfs/dbraw/zinc/56/51/48/606565148.db2.gz HFPNORLZZIGIHS-XMMPIXPASA-N -1 1 361.452 2.367 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Cl)cc2Cl)n1 ZINC000822620478 606596210 /nfs/dbraw/zinc/59/62/10/606596210.db2.gz SHJYZOHOCNZFOC-UHFFFAOYSA-N -1 1 367.200 2.229 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Cl)cc2Cl)n1 ZINC000822620478 606596212 /nfs/dbraw/zinc/59/62/12/606596212.db2.gz SHJYZOHOCNZFOC-UHFFFAOYSA-N -1 1 367.200 2.229 20 0 FEADMM CCN(Cc1ccc(Cl)s1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821222701 606597470 /nfs/dbraw/zinc/59/74/70/606597470.db2.gz XGYLGGMWUQPHJE-UHFFFAOYSA-N -1 1 366.838 2.369 20 0 FEADMM CCN(Cc1ccc(Cl)s1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821222701 606597471 /nfs/dbraw/zinc/59/74/71/606597471.db2.gz XGYLGGMWUQPHJE-UHFFFAOYSA-N -1 1 366.838 2.369 20 0 FEADMM CC(C)(O)COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819992113 606597959 /nfs/dbraw/zinc/59/79/59/606597959.db2.gz QPOXPHIXEQXETP-UHFFFAOYSA-N -1 1 359.411 2.330 20 0 FEADMM CC(C)(O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819992113 606597961 /nfs/dbraw/zinc/59/79/61/606597961.db2.gz QPOXPHIXEQXETP-UHFFFAOYSA-N -1 1 359.411 2.330 20 0 FEADMM CC(C)Oc1ccccc1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820178401 606648416 /nfs/dbraw/zinc/64/84/16/606648416.db2.gz OOLSXIYBPMPLMP-UHFFFAOYSA-N -1 1 353.382 2.335 20 0 FEADMM CC(C)Oc1ccccc1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820178401 606648417 /nfs/dbraw/zinc/64/84/17/606648417.db2.gz OOLSXIYBPMPLMP-UHFFFAOYSA-N -1 1 353.382 2.335 20 0 FEADMM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820225234 606649432 /nfs/dbraw/zinc/64/94/32/606649432.db2.gz DVVWMMSAEYECCQ-LLVKDONJSA-N -1 1 369.356 2.353 20 0 FEADMM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820225234 606649433 /nfs/dbraw/zinc/64/94/33/606649433.db2.gz DVVWMMSAEYECCQ-LLVKDONJSA-N -1 1 369.356 2.353 20 0 FEADMM COc1ccc2c(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)coc2c1 ZINC000821849405 606651681 /nfs/dbraw/zinc/65/16/81/606651681.db2.gz HKSUSARJYHECTI-UHFFFAOYSA-N -1 1 365.349 2.302 20 0 FEADMM COc1ccc2c(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)coc2c1 ZINC000821849405 606651682 /nfs/dbraw/zinc/65/16/82/606651682.db2.gz HKSUSARJYHECTI-UHFFFAOYSA-N -1 1 365.349 2.302 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000822225048 606652721 /nfs/dbraw/zinc/65/27/21/606652721.db2.gz LOGIKLPVSUWPPU-UHFFFAOYSA-N -1 1 357.395 2.338 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000822225048 606652722 /nfs/dbraw/zinc/65/27/22/606652722.db2.gz LOGIKLPVSUWPPU-UHFFFAOYSA-N -1 1 357.395 2.338 20 0 FEADMM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820993739 606691178 /nfs/dbraw/zinc/69/11/78/606691178.db2.gz BEECSEBMAMTDFP-OAHLLOKOSA-N -1 1 363.425 2.133 20 0 FEADMM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820993739 606691179 /nfs/dbraw/zinc/69/11/79/606691179.db2.gz BEECSEBMAMTDFP-OAHLLOKOSA-N -1 1 363.425 2.133 20 0 FEADMM C[C@H](COc1ccccc1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820293482 606733378 /nfs/dbraw/zinc/73/33/78/606733378.db2.gz KPNGGFMYHQMUJK-GFCCVEGCSA-N -1 1 369.429 2.472 20 0 FEADMM C[C@H](COc1ccccc1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820293482 606733380 /nfs/dbraw/zinc/73/33/80/606733380.db2.gz KPNGGFMYHQMUJK-GFCCVEGCSA-N -1 1 369.429 2.472 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C(F)=C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000822549004 606796594 /nfs/dbraw/zinc/79/65/94/606796594.db2.gz RJDLRJXQLUWCQQ-UHFFFAOYSA-N -1 1 363.349 2.356 20 0 FEADMM Clc1nsc(N2CCN(c3cccs3)CC2)c1-c1nnn[n-]1 ZINC000822590735 606876166 /nfs/dbraw/zinc/87/61/66/606876166.db2.gz OFDLLZYYCLPERZ-UHFFFAOYSA-N -1 1 353.864 2.365 20 0 FEADMM Clc1nsc(N2CCN(c3cccs3)CC2)c1-c1nn[n-]n1 ZINC000822590735 606876168 /nfs/dbraw/zinc/87/61/68/606876168.db2.gz OFDLLZYYCLPERZ-UHFFFAOYSA-N -1 1 353.864 2.365 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)C(C)C ZINC000822458922 606926994 /nfs/dbraw/zinc/92/69/94/606926994.db2.gz JDUKHAGRCLWACE-LBPRGKRZSA-N -1 1 357.418 2.047 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)C(C)C ZINC000822458922 606926996 /nfs/dbraw/zinc/92/69/96/606926996.db2.gz JDUKHAGRCLWACE-LBPRGKRZSA-N -1 1 357.418 2.047 20 0 FEADMM COc1cc(C(C)=O)c(OC)cc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821707570 606965936 /nfs/dbraw/zinc/96/59/36/606965936.db2.gz BDWLHQLLZNVOIW-UHFFFAOYSA-N -1 1 374.378 2.367 20 0 FEADMM COc1cc(C(C)=O)c(OC)cc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821707570 606965939 /nfs/dbraw/zinc/96/59/39/606965939.db2.gz BDWLHQLLZNVOIW-UHFFFAOYSA-N -1 1 374.378 2.367 20 0 FEADMM C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727556 607047112 /nfs/dbraw/zinc/04/71/12/607047112.db2.gz MRBLPEKHISDLSC-DTWKUNHWSA-N -1 1 350.839 2.261 20 0 FEADMM CC(C)C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820067569 607048932 /nfs/dbraw/zinc/04/89/32/607048932.db2.gz KDNZRIVBGRAZSG-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820233489 607097980 /nfs/dbraw/zinc/09/79/80/607097980.db2.gz KRHSESZXUXLMNN-CABZTGNLSA-N -1 1 361.402 2.309 20 0 FEADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820233489 607097982 /nfs/dbraw/zinc/09/79/82/607097982.db2.gz KRHSESZXUXLMNN-CABZTGNLSA-N -1 1 361.402 2.309 20 0 FEADMM CCS[C@H](C)c1noc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821446600 607113456 /nfs/dbraw/zinc/11/34/56/607113456.db2.gz BBCRFASBCVDJGY-SSDOTTSWSA-N -1 1 366.428 2.482 20 0 FEADMM CCS[C@H](C)c1noc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821446600 607113457 /nfs/dbraw/zinc/11/34/57/607113457.db2.gz BBCRFASBCVDJGY-SSDOTTSWSA-N -1 1 366.428 2.482 20 0 FEADMM C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000820570849 607139009 /nfs/dbraw/zinc/13/90/09/607139009.db2.gz RSZANRSACRHJES-GFCCVEGCSA-N -1 1 360.381 2.320 20 0 FEADMM C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000820570849 607139011 /nfs/dbraw/zinc/13/90/11/607139011.db2.gz RSZANRSACRHJES-GFCCVEGCSA-N -1 1 360.381 2.320 20 0 FEADMM CCc1n[nH]c(=O)c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1CC ZINC000821504221 607174931 /nfs/dbraw/zinc/17/49/31/607174931.db2.gz DKRAKWSRNDERRZ-UHFFFAOYSA-N -1 1 360.809 2.148 20 0 FEADMM CCc1n[nH]c(=O)c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1CC ZINC000821504221 607174932 /nfs/dbraw/zinc/17/49/32/607174932.db2.gz DKRAKWSRNDERRZ-UHFFFAOYSA-N -1 1 360.809 2.148 20 0 FEADMM c1[nH]nc(NCc2csc(-c3ccc4c(c3)OCO4)n2)c1-c1nnn[n-]1 ZINC000823767520 607237704 /nfs/dbraw/zinc/23/77/04/607237704.db2.gz SMQZZHAXZAGMJL-UHFFFAOYSA-N -1 1 368.382 2.054 20 0 FEADMM c1[nH]nc(NCc2csc(-c3ccc4c(c3)OCO4)n2)c1-c1nn[n-]n1 ZINC000823767520 607237705 /nfs/dbraw/zinc/23/77/05/607237705.db2.gz SMQZZHAXZAGMJL-UHFFFAOYSA-N -1 1 368.382 2.054 20 0 FEADMM Cc1oc(NC(=O)CN(C)OCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341350 607792579 /nfs/dbraw/zinc/79/25/79/607792579.db2.gz FNFCJQRTUIKGPP-UHFFFAOYSA-N -1 1 356.386 2.079 20 0 FEADMM C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824390839 607801961 /nfs/dbraw/zinc/80/19/61/607801961.db2.gz DTHLCSTXYPONIA-NSHDSACASA-N -1 1 371.422 2.180 20 0 FEADMM C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824390839 607801962 /nfs/dbraw/zinc/80/19/62/607801962.db2.gz DTHLCSTXYPONIA-NSHDSACASA-N -1 1 371.422 2.180 20 0 FEADMM Clc1ccccc1OC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826354357 607820381 /nfs/dbraw/zinc/82/03/81/607820381.db2.gz ZLZHDAYLCQYKKL-UHFFFAOYSA-N -1 1 357.805 2.358 20 0 FEADMM Clc1ccccc1OC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000826354357 607820382 /nfs/dbraw/zinc/82/03/82/607820382.db2.gz ZLZHDAYLCQYKKL-UHFFFAOYSA-N -1 1 357.805 2.358 20 0 FEADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824480514 607865830 /nfs/dbraw/zinc/86/58/30/607865830.db2.gz XPRLJCSPYHAAKV-SNVBAGLBSA-N -1 1 359.336 2.401 20 0 FEADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824480514 607865831 /nfs/dbraw/zinc/86/58/31/607865831.db2.gz XPRLJCSPYHAAKV-SNVBAGLBSA-N -1 1 359.336 2.401 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826296675 607874783 /nfs/dbraw/zinc/87/47/83/607874783.db2.gz FMVXCAORMVQNGW-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826296675 607874784 /nfs/dbraw/zinc/87/47/84/607874784.db2.gz FMVXCAORMVQNGW-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1csc([C@H]2CCCO2)n1 ZINC000826450873 607929112 /nfs/dbraw/zinc/92/91/12/607929112.db2.gz HJCZOEMAPJBMHY-GFCCVEGCSA-N -1 1 358.383 2.133 20 0 FEADMM Fc1ccc(N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)c(Cl)c1 ZINC000826375424 607943060 /nfs/dbraw/zinc/94/30/60/607943060.db2.gz MYPBNWMSYZXGFF-UHFFFAOYSA-N -1 1 373.823 2.376 20 0 FEADMM CN(CCCNc1snc(Cl)c1-c1nnn[n-]1)CC(F)(F)F ZINC000825918776 608176283 /nfs/dbraw/zinc/17/62/83/608176283.db2.gz NBMUALDVPPBBHQ-UHFFFAOYSA-N -1 1 355.777 2.273 20 0 FEADMM CN(CCCNc1snc(Cl)c1-c1nn[n-]n1)CC(F)(F)F ZINC000825918776 608176285 /nfs/dbraw/zinc/17/62/85/608176285.db2.gz NBMUALDVPPBBHQ-UHFFFAOYSA-N -1 1 355.777 2.273 20 0 FEADMM Clc1nsc(N2CCOC[C@@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826354322 608189370 /nfs/dbraw/zinc/18/93/70/608189370.db2.gz XXDJERZQXVHGDS-NSHDSACASA-N -1 1 362.846 2.425 20 0 FEADMM Clc1nsc(N2CCOC[C@@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826354322 608189371 /nfs/dbraw/zinc/18/93/71/608189371.db2.gz XXDJERZQXVHGDS-NSHDSACASA-N -1 1 362.846 2.425 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826523265 608199150 /nfs/dbraw/zinc/19/91/50/608199150.db2.gz HCMJNJTZMYXIGC-SGTLLEGYSA-N -1 1 352.398 2.165 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826523265 608199151 /nfs/dbraw/zinc/19/91/51/608199151.db2.gz HCMJNJTZMYXIGC-SGTLLEGYSA-N -1 1 352.398 2.165 20 0 FEADMM CC(C)(C)c1cc(NC(=O)CCn2ccccc2=O)c(-c2nnn[n-]2)s1 ZINC000824130667 608345878 /nfs/dbraw/zinc/34/58/78/608345878.db2.gz NKCGCITVQOIWAJ-UHFFFAOYSA-N -1 1 372.454 2.416 20 0 FEADMM CC(C)(C)c1cc(NC(=O)CCn2ccccc2=O)c(-c2nn[n-]n2)s1 ZINC000824130667 608345879 /nfs/dbraw/zinc/34/58/79/608345879.db2.gz NKCGCITVQOIWAJ-UHFFFAOYSA-N -1 1 372.454 2.416 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000826164951 608394029 /nfs/dbraw/zinc/39/40/29/608394029.db2.gz YLVRUXXTAKOTNK-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c(C)c1 ZINC000826281535 608397044 /nfs/dbraw/zinc/39/70/44/608397044.db2.gz XVGADFLJHMINDN-UHFFFAOYSA-N -1 1 363.425 2.373 20 0 FEADMM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c(C)c1 ZINC000826281535 608397046 /nfs/dbraw/zinc/39/70/46/608397046.db2.gz XVGADFLJHMINDN-UHFFFAOYSA-N -1 1 363.425 2.373 20 0 FEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000824656844 608399145 /nfs/dbraw/zinc/39/91/45/608399145.db2.gz NIRXQBXZBLYFQB-JTQLQIEISA-N -1 1 365.401 2.114 20 0 FEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000824656844 608399147 /nfs/dbraw/zinc/39/91/47/608399147.db2.gz NIRXQBXZBLYFQB-JTQLQIEISA-N -1 1 365.401 2.114 20 0 FEADMM O=C(Nc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1)C1CCCC1 ZINC000826456625 608402796 /nfs/dbraw/zinc/40/27/96/608402796.db2.gz OZQGPCLXVWICLC-UHFFFAOYSA-N -1 1 364.413 2.398 20 0 FEADMM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1)C1CCCC1 ZINC000826456625 608402797 /nfs/dbraw/zinc/40/27/97/608402797.db2.gz OZQGPCLXVWICLC-UHFFFAOYSA-N -1 1 364.413 2.398 20 0 FEADMM O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826472901 608403715 /nfs/dbraw/zinc/40/37/15/608403715.db2.gz BUCRFQCQCZIXSA-UHFFFAOYSA-N -1 1 369.816 2.409 20 0 FEADMM O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826472901 608403717 /nfs/dbraw/zinc/40/37/17/608403717.db2.gz BUCRFQCQCZIXSA-UHFFFAOYSA-N -1 1 369.816 2.409 20 0 FEADMM CCN(Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)nn1 ZINC000825439814 608406387 /nfs/dbraw/zinc/40/63/87/608406387.db2.gz PDHPRKKUNKPMSL-UHFFFAOYSA-N -1 1 360.219 2.446 20 0 FEADMM CCN(Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)nn1 ZINC000825439814 608406388 /nfs/dbraw/zinc/40/63/88/608406388.db2.gz PDHPRKKUNKPMSL-UHFFFAOYSA-N -1 1 360.219 2.446 20 0 FEADMM c1ccc(CN(CC2CCOCC2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521224 608417266 /nfs/dbraw/zinc/41/72/66/608417266.db2.gz FEMKODRORUGUJG-UHFFFAOYSA-N -1 1 351.414 2.090 20 0 FEADMM c1ccc(CN(CC2CCOCC2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521224 608417268 /nfs/dbraw/zinc/41/72/68/608417268.db2.gz FEMKODRORUGUJG-UHFFFAOYSA-N -1 1 351.414 2.090 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1c[nH]c2ncccc12 ZINC000824724192 608457966 /nfs/dbraw/zinc/45/79/66/608457966.db2.gz ZHCIXZSCJIURTQ-MRVPVSSYSA-N -1 1 368.378 2.233 20 0 FEADMM O=C(c1cccc(F)c1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826473554 608517740 /nfs/dbraw/zinc/51/77/40/608517740.db2.gz CMZSIQYYRCATDJ-UHFFFAOYSA-N -1 1 372.429 2.025 20 0 FEADMM O=C(CCC1CCCCC1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826405566 608612858 /nfs/dbraw/zinc/61/28/58/608612858.db2.gz KXUNPLPFTNNIEN-UHFFFAOYSA-N -1 1 372.473 2.464 20 0 FEADMM O=C(CCC1CCCCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826405566 608612859 /nfs/dbraw/zinc/61/28/59/608612859.db2.gz KXUNPLPFTNNIEN-UHFFFAOYSA-N -1 1 372.473 2.464 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000826357294 609158777 /nfs/dbraw/zinc/15/87/77/609158777.db2.gz ZIKJAXYIIRSHRQ-ATWMFIQVSA-N -1 1 364.413 2.310 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000826357294 609158778 /nfs/dbraw/zinc/15/87/78/609158778.db2.gz ZIKJAXYIIRSHRQ-ATWMFIQVSA-N -1 1 364.413 2.310 20 0 FEADMM Cc1ncccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826330188 609291309 /nfs/dbraw/zinc/29/13/09/609291309.db2.gz ISQOVRLAEGLXGS-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1onc(CC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826345485 609472594 /nfs/dbraw/zinc/47/25/94/609472594.db2.gz LZPOIJZBPLZGQX-SECBINFHSA-N -1 1 360.340 2.189 20 0 FEADMM Cc1onc(CC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826345485 609472596 /nfs/dbraw/zinc/47/25/96/609472596.db2.gz LZPOIJZBPLZGQX-SECBINFHSA-N -1 1 360.340 2.189 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824897440 609567267 /nfs/dbraw/zinc/56/72/67/609567267.db2.gz AIECVZOIICONPU-JTNHKYCSSA-N -1 1 365.434 2.348 20 0 FEADMM CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825492596 609605175 /nfs/dbraw/zinc/60/51/75/609605175.db2.gz HBEKRNRTZMDYLB-JTQLQIEISA-N -1 1 365.459 2.416 20 0 FEADMM CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825492596 609605177 /nfs/dbraw/zinc/60/51/77/609605177.db2.gz HBEKRNRTZMDYLB-JTQLQIEISA-N -1 1 365.459 2.416 20 0 FEADMM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810717245 674558701 /nfs/dbraw/zinc/55/87/01/674558701.db2.gz UJDOGVRBDKCEAX-QGZVFWFLSA-N -1 1 374.453 2.293 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@H](F)Cc2ccccc2)C1)C(F)(F)F ZINC000810899136 674567197 /nfs/dbraw/zinc/56/71/97/674567197.db2.gz VFMVSBMIOBFUKT-ZIAGYGMSSA-N -1 1 360.351 2.484 20 0 FEADMM Cc1oc(C2CC2)nc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810905989 674567875 /nfs/dbraw/zinc/56/78/75/674567875.db2.gz HKTNHMYMQLKNGN-JTQLQIEISA-N -1 1 359.348 2.391 20 0 FEADMM CCOC1(C)CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000560704590 674610936 /nfs/dbraw/zinc/61/09/36/674610936.db2.gz GDVYBRDNFIRPPH-UHFFFAOYSA-N -1 1 372.487 2.388 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)C=Cc1ccccc1F ZINC000811834811 674632468 /nfs/dbraw/zinc/63/24/68/674632468.db2.gz GANNAMPCFKSFER-CSKARUKUSA-N -1 1 350.371 2.232 20 0 FEADMM CC(C)CCOCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811869590 674634525 /nfs/dbraw/zinc/63/45/25/674634525.db2.gz SBBIYLOANKMIJY-ZDUSSCGKSA-N -1 1 367.412 2.149 20 0 FEADMM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)[nH]1 ZINC000812271383 674660313 /nfs/dbraw/zinc/66/03/13/674660313.db2.gz ICXVRROGPBZIIP-UHFFFAOYSA-N -1 1 373.769 2.098 20 0 FEADMM COC(=O)C(C)(C)C(=O)[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000561456112 674668235 /nfs/dbraw/zinc/66/82/35/674668235.db2.gz WNHIRLRFSBKALF-LURJTMIESA-N -1 1 352.334 2.450 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCc2cc(C(C)=O)no2)c(=O)[n-]1 ZINC000813138504 674723458 /nfs/dbraw/zinc/72/34/58/674723458.db2.gz SBIZCRGPAHHWIJ-UHFFFAOYSA-N -1 1 351.384 2.079 20 0 FEADMM CO[C@](C)(COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000813194163 674726759 /nfs/dbraw/zinc/72/67/59/674726759.db2.gz AQMDQLCJXOMBNF-MRXNPFEDSA-N -1 1 359.444 2.328 20 0 FEADMM CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000562539370 674766869 /nfs/dbraw/zinc/76/68/69/674766869.db2.gz CFTNXYSROUZBQJ-UHFFFAOYSA-N -1 1 357.805 2.225 20 0 FEADMM CCC(Nc1cccc(C)c1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814344905 674832648 /nfs/dbraw/zinc/83/26/48/674832648.db2.gz JJKIRPOGUBYLER-FYWRMAATSA-N -1 1 361.467 2.269 20 0 FEADMM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814338361 674832812 /nfs/dbraw/zinc/83/28/12/674832812.db2.gz ZJXQXHLAFBSKLS-FOCLMDBBSA-N -1 1 359.495 2.382 20 0 FEADMM Cc1nc([C@](C)([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C2CC2)no1 ZINC000814400983 674842626 /nfs/dbraw/zinc/84/26/26/674842626.db2.gz FYPRJRHXBUEDTE-CYBMUJFWSA-N -1 1 360.798 2.169 20 0 FEADMM O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000563571042 674909806 /nfs/dbraw/zinc/90/98/06/674909806.db2.gz LVINHJMWAIUBES-UHFFFAOYSA-N -1 1 361.829 2.164 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2csc(C(C)=O)c2)cc1 ZINC000815276532 674935817 /nfs/dbraw/zinc/93/58/17/674935817.db2.gz BOUHDRAGHJSJIP-UHFFFAOYSA-N -1 1 361.375 2.073 20 0 FEADMM CC(C)(C)C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(F)(F)F ZINC000563807665 674941208 /nfs/dbraw/zinc/94/12/08/674941208.db2.gz CTCVCQZGWAHKFX-ZCFIWIBFSA-N -1 1 360.379 2.487 20 0 FEADMM CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(Br)c([O-])c1 ZINC000563873012 674948263 /nfs/dbraw/zinc/94/82/63/674948263.db2.gz GXPFYYSIQLTRSC-UHFFFAOYSA-N -1 1 364.261 2.098 20 0 FEADMM CCOc1nc2cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc2[nH]1 ZINC000815443334 674950479 /nfs/dbraw/zinc/95/04/79/674950479.db2.gz TVALRFDCNVGMTE-UHFFFAOYSA-N -1 1 359.304 2.187 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)[C@@H]2C1 ZINC000564093023 674972749 /nfs/dbraw/zinc/97/27/49/674972749.db2.gz BYXOZVURWAMKFL-YWPYICTPSA-N -1 1 374.865 2.404 20 0 FEADMM O=C(CN1C(=O)C(F)(F)Oc2ccccc21)Nc1c([O-])cccc1F ZINC000815877089 674980245 /nfs/dbraw/zinc/98/02/45/674980245.db2.gz AYPQNEWZQJUOEQ-UHFFFAOYSA-N -1 1 352.268 2.488 20 0 FEADMM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000648622788 677318109 /nfs/dbraw/zinc/31/81/09/677318109.db2.gz WJHXMFGBLJUSPO-CYBMUJFWSA-N -1 1 350.724 2.186 20 0 FEADMM CC[C@H](C)c1nc([C@H](C)NC(=O)N=c2nc([C@@H](C)OC)[n-]s2)n[nH]1 ZINC000564374249 675004104 /nfs/dbraw/zinc/00/41/04/675004104.db2.gz XLZBLSSJNOUICZ-XHNCKOQMSA-N -1 1 353.452 2.182 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc4c3CNC4=O)ccc2O1 ZINC000564681617 675051090 /nfs/dbraw/zinc/05/10/90/675051090.db2.gz PMROZVKWWGLVMH-UHFFFAOYSA-N -1 1 358.419 2.444 20 0 FEADMM COC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007330112 669967801 /nfs/dbraw/zinc/96/78/01/669967801.db2.gz SVUREHFQKNLSHR-GFCCVEGCSA-N -1 1 363.391 2.206 20 0 FEADMM O=C(NNC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000011639466 669998259 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O=C(NNC(=O)c1c([O-])cccc1Cl)c1cc(Br)c[nH]1 ZINC000049087053 670275517 /nfs/dbraw/zinc/27/55/17/670275517.db2.gz CGYLNWOUVAUFQR-UHFFFAOYSA-N -1 1 358.579 2.211 20 0 FEADMM CC(C)(C)NC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000054922997 670342747 /nfs/dbraw/zinc/34/27/47/670342747.db2.gz YMAIJNVXMBAGBJ-UHFFFAOYSA-N -1 1 357.501 2.262 20 0 FEADMM Cc1ccc(/C=C\S(=O)(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000055546308 670351905 /nfs/dbraw/zinc/35/19/05/670351905.db2.gz GPVVKEUHNKDILN-KTKRTIGZSA-N -1 1 361.379 2.138 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nnc(C2CC2)o1 ZINC000063988421 670415463 /nfs/dbraw/zinc/41/54/63/670415463.db2.gz HQOXTYXPYIGTKC-UHFFFAOYSA-N -1 1 365.411 2.456 20 0 FEADMM O=C(CSc1nc2cc(Cl)cnc2[nH]1)N[N-]C(=O)c1cccs1 ZINC000066318182 670439889 /nfs/dbraw/zinc/43/98/89/670439889.db2.gz VPIVECMLQMUMRX-UHFFFAOYSA-N -1 1 367.843 2.226 20 0 FEADMM Cn1c(CNC(=O)c2ccc(OCc3ccccc3)nc2)n[n-]c1=S ZINC000066625503 670445317 /nfs/dbraw/zinc/44/53/17/670445317.db2.gz 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O=S(=O)([N-][C@@H](C1CC1)[C@@]1(CO)CCCO1)c1cc(Cl)ccc1F ZINC000565612294 675136624 /nfs/dbraw/zinc/13/66/24/675136624.db2.gz IFWZLZKRDWAOLZ-GJZGRUSLSA-N -1 1 363.838 2.078 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCc2cccnc2)o1 ZINC000113664918 670886780 /nfs/dbraw/zinc/88/67/80/670886780.db2.gz NQLSBFDERPILDR-UHFFFAOYSA-N -1 1 352.412 2.151 20 0 FEADMM Cc1nc2ccc(CN[C@@H]3CCN([C@@H](C(=O)[O-])C(C)C)C3=O)cc2s1 ZINC000572583250 671019598 /nfs/dbraw/zinc/01/95/98/671019598.db2.gz OVKQWBYZPLWBLQ-GDBMZVCRSA-N -1 1 361.467 2.404 20 0 FEADMM Cc1nc(C)n(C2CN(C(=O)c3cc(Br)ccc3[O-])C2)n1 ZINC000572989325 671068666 /nfs/dbraw/zinc/06/86/66/671068666.db2.gz IQELHYMFFGFGJD-UHFFFAOYSA-N -1 1 351.204 2.060 20 0 FEADMM Cc1oc([C@@H](C)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C(=O)[O-] ZINC000573259252 671100523 /nfs/dbraw/zinc/10/05/23/671100523.db2.gz OVLMJFNHFLVVFL-GFCCVEGCSA-N -1 1 370.471 2.237 20 0 FEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2cc3c(cc2Br)OCO3)C1 ZINC000574645039 671264514 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FEADMM COc1ccc(Cl)c(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)c1 ZINC000578206951 671648782 /nfs/dbraw/zinc/64/87/82/671648782.db2.gz GSUOITXQIZOHHO-UHFFFAOYSA-N -1 1 350.806 2.475 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000578401292 671662541 /nfs/dbraw/zinc/66/25/41/671662541.db2.gz FOPCBZGGDLBORZ-NSHDSACASA-N -1 1 353.296 2.496 20 0 FEADMM Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000578429776 671664577 /nfs/dbraw/zinc/66/45/77/671664577.db2.gz FTBPHJXRFGZLNI-BBRMVZONSA-N -1 1 361.423 2.365 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2C(=O)[O-])c(F)c1 ZINC000578697388 671683382 /nfs/dbraw/zinc/68/33/82/671683382.db2.gz ZFLQZUVNRNKPKQ-UHFFFAOYSA-N -1 1 368.386 2.399 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000579006427 671705771 /nfs/dbraw/zinc/70/57/71/671705771.db2.gz JHMQVDWEMIAZEE-SGMGOOAPSA-N -1 1 350.415 2.073 20 0 FEADMM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000579856910 671766201 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CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000581522169 671906895 /nfs/dbraw/zinc/90/68/95/671906895.db2.gz JQFJLFXQLPUIQP-UHFFFAOYSA-N -1 1 364.354 2.438 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(OCCCO)CC1 ZINC000120221446 671920168 /nfs/dbraw/zinc/92/01/68/671920168.db2.gz ZLPZNGMDBLIPPL-UHFFFAOYSA-N -1 1 358.232 2.158 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)on1 ZINC000581738182 671932296 /nfs/dbraw/zinc/93/22/96/671932296.db2.gz UANXAZRMFCTXNI-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccnc1Br ZINC000121382147 671948233 /nfs/dbraw/zinc/94/82/33/671948233.db2.gz PRHDMRYBAKMMKE-UHFFFAOYSA-N -1 1 365.640 2.340 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000121509742 671951202 /nfs/dbraw/zinc/95/12/02/671951202.db2.gz QDAVQTXSOXRPDB-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1nnc2ccccc2c1O ZINC000121522288 671951744 /nfs/dbraw/zinc/95/17/44/671951744.db2.gz KVVFAPBHUGTGAH-UHFFFAOYSA-N -1 1 361.155 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CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cn1 ZINC000544643633 673722763 /nfs/dbraw/zinc/72/27/63/673722763.db2.gz NBJGRTRAGQZGPX-UHFFFAOYSA-N -1 1 366.439 2.431 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)s1 ZINC000544729390 673729593 /nfs/dbraw/zinc/72/95/93/673729593.db2.gz NXKPDZHWGULAFP-RXMQYKEDSA-N -1 1 352.235 2.242 20 0 FEADMM CCc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(C)nn1 ZINC000544788629 673733097 /nfs/dbraw/zinc/73/30/97/673733097.db2.gz RYXPFTDGEJQXNO-UHFFFAOYSA-N -1 1 352.391 2.110 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cn1C ZINC000544844947 673736500 /nfs/dbraw/zinc/73/65/00/673736500.db2.gz IODYLIPRWSJUCN-UHFFFAOYSA-N -1 1 368.459 2.314 20 0 FEADMM C[C@@H](c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1ccncc1 ZINC000545101844 673744830 /nfs/dbraw/zinc/74/48/30/673744830.db2.gz RWZNBLHKVZGJOM-SNVBAGLBSA-N -1 1 350.425 2.156 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1c(Cl)ccc(C(=O)OC)c1C ZINC000545313426 673758308 /nfs/dbraw/zinc/75/83/08/673758308.db2.gz 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COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1c[nH]c(=O)cc1C ZINC000566391849 675210097 /nfs/dbraw/zinc/21/00/97/675210097.db2.gz UAUHUFPPEITWEY-UHFFFAOYSA-N -1 1 356.787 2.336 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(N)ccc32)o1 ZINC000566689247 675235411 /nfs/dbraw/zinc/23/54/11/675235411.db2.gz MVYXHOSGAXILIE-CYBMUJFWSA-N -1 1 350.396 2.004 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)c1 ZINC000566710872 675236677 /nfs/dbraw/zinc/23/66/77/675236677.db2.gz PMFIQSIMYNBRJF-UHFFFAOYSA-N -1 1 371.361 2.490 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/[C@H]2CCCO2)c1 ZINC000819456548 675291886 /nfs/dbraw/zinc/29/18/86/675291886.db2.gz BDIQNWSXVOTWBO-UTSBKAFOSA-N -1 1 368.455 2.096 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@@H](N3CCOCC3)C2)cc(Cl)c1[O-] ZINC000615556241 676219627 /nfs/dbraw/zinc/21/96/27/676219627.db2.gz MHOFTRMPJVHIQN-CQSZACIVSA-N -1 1 368.861 2.381 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(OC)[C@H](C)c2ccccc2C)co1 ZINC000820034498 675331912 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CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc(O)c2)ccc1Cl ZINC000821116137 675414784 /nfs/dbraw/zinc/41/47/84/675414784.db2.gz KALHAZAAGXLVMK-UHFFFAOYSA-N -1 1 361.828 2.250 20 0 FEADMM COC(=O)CCCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000825208546 675641976 /nfs/dbraw/zinc/64/19/76/675641976.db2.gz NZYJMVNVKFHVKG-UHFFFAOYSA-N -1 1 354.834 2.033 20 0 FEADMM CCOc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1Cl ZINC000825643044 675662112 /nfs/dbraw/zinc/66/21/12/675662112.db2.gz GQRNJIFFKYGWAY-UHFFFAOYSA-N -1 1 362.777 2.396 20 0 FEADMM CCOc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1Cl ZINC000825643044 675662113 /nfs/dbraw/zinc/66/21/13/675662113.db2.gz GQRNJIFFKYGWAY-UHFFFAOYSA-N -1 1 362.777 2.396 20 0 FEADMM COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826180101 675684090 /nfs/dbraw/zinc/68/40/90/675684090.db2.gz RXZRYNPWAJOGCS-UHFFFAOYSA-N -1 1 362.777 2.315 20 0 FEADMM COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826180101 675684092 /nfs/dbraw/zinc/68/40/92/675684092.db2.gz 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690998207 /nfs/dbraw/zinc/99/82/07/690998207.db2.gz WXTJFSDWTZWXDJ-CQSZACIVSA-N -1 1 368.231 2.415 20 0 FEADMM Cc1cc(N2CCC[C@@H](N[C@H](C)C(=O)[O-])C2=O)ccc1Br ZINC000904231978 691014752 /nfs/dbraw/zinc/01/47/52/691014752.db2.gz PPZXHFIPKPQYIA-ZWNOBZJWSA-N -1 1 355.232 2.316 20 0 FEADMM CCCS(=O)(=O)CCN[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905403119 691114911 /nfs/dbraw/zinc/11/49/11/691114911.db2.gz KRQBOTMJCOIGPE-LBPRGKRZSA-N -1 1 353.362 2.246 20 0 FEADMM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CC=C(Cl)Cl)[n-]1 ZINC000906026819 691216074 /nfs/dbraw/zinc/21/60/74/691216074.db2.gz WHKHDCRFNWXYRO-UHFFFAOYSA-N -1 1 351.133 2.435 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(Cl)nc2F)s1 ZINC000906773158 691313368 /nfs/dbraw/zinc/31/33/68/691313368.db2.gz KQXPZRHVSNTEAY-UHFFFAOYSA-N -1 1 358.782 2.474 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000906859160 691329882 /nfs/dbraw/zinc/32/98/82/691329882.db2.gz QHCTZWKVFRGAGL-ZDUSSCGKSA-N -1 1 370.446 2.081 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000907026839 691373556 /nfs/dbraw/zinc/37/35/56/691373556.db2.gz POPGGEAOKNEUQB-CVEARBPZSA-N -1 1 366.483 2.242 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000907026845 691374057 /nfs/dbraw/zinc/37/40/57/691374057.db2.gz POPGGEAOKNEUQB-JKSUJKDBSA-N -1 1 366.483 2.242 20 0 FEADMM O=C(CC(F)(F)C(F)F)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000907414202 691475195 /nfs/dbraw/zinc/47/51/95/691475195.db2.gz UHCKUODAJYUSOS-SECBINFHSA-N -1 1 369.681 2.488 20 0 FEADMM CC(C)(C)c1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc(Cl)n1 ZINC000907471094 691491747 /nfs/dbraw/zinc/49/17/47/691491747.db2.gz GRUSDNKOIFDAPX-SNVBAGLBSA-N -1 1 366.878 2.476 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@H](C2CC2)O1)c1ncccc1Br ZINC000907470994 691491822 /nfs/dbraw/zinc/49/18/22/691491822.db2.gz LKTJSUPXXLRGJN-ZYHUDNBSSA-N -1 1 361.261 2.080 20 0 FEADMM O=C(CCc1ccc(Cl)c(F)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907472106 691492205 /nfs/dbraw/zinc/49/22/05/691492205.db2.gz LNBPMYFYILLKSV-LBPRGKRZSA-N -1 1 355.826 2.242 20 0 FEADMM COc1ccc(CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1Cl ZINC000907473586 691493475 /nfs/dbraw/zinc/49/34/75/691493475.db2.gz CHPYTFYTDAXPGW-GFCCVEGCSA-N -1 1 367.862 2.111 20 0 FEADMM O=C(c1ccc(OC2CCCC2)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479178 691496334 /nfs/dbraw/zinc/49/63/34/691496334.db2.gz YYJMWOVREREDLH-HNNXBMFYSA-N -1 1 359.455 2.451 20 0 FEADMM Cc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(Br)c1 ZINC000907478329 691496399 /nfs/dbraw/zinc/49/63/99/691496399.db2.gz XAKQGNLDUXLKDN-LLVKDONJSA-N -1 1 368.260 2.201 20 0 FEADMM CC1(C)C[C@@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c2ccccc2O1 ZINC000907480681 691497168 /nfs/dbraw/zinc/49/71/68/691497168.db2.gz QIMQLIOSOMWRLS-CHWSQXEVSA-N -1 1 359.455 2.161 20 0 FEADMM Cc1c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cnn1C1CCCCC1 ZINC000907480088 691497389 /nfs/dbraw/zinc/49/73/89/691497389.db2.gz PBWBTDYSSJSBBW-AWEZNQCLSA-N -1 1 361.475 2.140 20 0 FEADMM O=C(c1ccc(Cl)c2ncccc12)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481097 691497699 /nfs/dbraw/zinc/49/76/99/691497699.db2.gz ZJXQXYHPMVVDQI-LBPRGKRZSA-N -1 1 360.830 2.332 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2c(C)cccc2F)[n-]c1=O ZINC000908015666 691598861 /nfs/dbraw/zinc/59/88/61/691598861.db2.gz CPZCGBVGEPGDHN-LBPRGKRZSA-N -1 1 367.402 2.164 20 0 FEADMM O=S(=O)([N-][C@@H]1COC[C@H]1C1CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000908403202 691673696 /nfs/dbraw/zinc/67/36/96/691673696.db2.gz CXJHELXVTYJVOJ-WCBMZHEXSA-N -1 1 370.780 2.457 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2ccccc2C(F)(F)F)C1 ZINC000908750640 691722697 /nfs/dbraw/zinc/72/26/97/691722697.db2.gz JZGYMSNWUQLWRG-ZDUSSCGKSA-N -1 1 358.360 2.161 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000908754870 691724072 /nfs/dbraw/zinc/72/40/72/691724072.db2.gz SMUCKJNLKKFQIZ-BXUZGUMPSA-N -1 1 352.818 2.076 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1cccc(F)c1 ZINC000908754384 691724079 /nfs/dbraw/zinc/72/40/79/691724079.db2.gz TVWQOUYCHSKUGG-VXGBXAGGSA-N -1 1 365.327 2.133 20 0 FEADMM CC[C@@](C)(NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000908775025 691728345 /nfs/dbraw/zinc/72/83/45/691728345.db2.gz AZXGTRFCLLVHLM-GOSISDBHSA-N -1 1 351.422 2.343 20 0 FEADMM O=C([O-])[C@H](CF)NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000908801622 691732523 /nfs/dbraw/zinc/73/25/23/691732523.db2.gz BDUXQOPLXJATIQ-UONOGXRCSA-N -1 1 357.813 2.199 20 0 FEADMM CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])c1ccsc1 ZINC000908815348 691734464 /nfs/dbraw/zinc/73/44/64/691734464.db2.gz XQPPYTRMYUBCTF-MYPMTAMASA-N -1 1 351.472 2.246 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N[C@](C)(CCF)C(=O)[O-])N2CCCC2)o1 ZINC000908926388 691754067 /nfs/dbraw/zinc/75/40/67/691754067.db2.gz OZQTWVRJOPHAFX-CXAGYDPISA-N -1 1 355.410 2.227 20 0 FEADMM Cc1c(Br)cccc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909397562 691817476 /nfs/dbraw/zinc/81/74/76/691817476.db2.gz UKUMRVPJMZWYAA-NSHDSACASA-N -1 1 355.232 2.493 20 0 FEADMM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1n[nH]cc1C(F)(F)F ZINC000909506243 691830195 /nfs/dbraw/zinc/83/01/95/691830195.db2.gz KKRRQXAQQNFRID-UHFFFAOYSA-N -1 1 357.288 2.164 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000909543073 691832654 /nfs/dbraw/zinc/83/26/54/691832654.db2.gz ATSDIIWSJLQMLN-ZDUSSCGKSA-N -1 1 363.845 2.277 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000909548657 691832772 /nfs/dbraw/zinc/83/27/72/691832772.db2.gz HRDIKMLMJYEEHT-MJVIPROJSA-N -1 1 354.809 2.248 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(SC3CC3)cc2)CC1 ZINC000910178441 691896897 /nfs/dbraw/zinc/89/68/97/691896897.db2.gz CQOQXMJTMKBYMM-CQSZACIVSA-N -1 1 362.495 2.491 20 0 FEADMM O=C([O-])CS[C@H](CNC(=O)c1[nH]nc2c1CCCCC2)C(F)(F)F ZINC000910350526 691919133 /nfs/dbraw/zinc/91/91/33/691919133.db2.gz YJAJAIOPBAQKNH-SNVBAGLBSA-N -1 1 365.377 2.157 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(C2CCCCCC2)[nH]n1 ZINC000489568610 887915906 /nfs/dbraw/zinc/91/59/06/887915906.db2.gz RUGGFEXPFNNSIB-UHFFFAOYSA-N -1 1 357.414 2.317 20 0 FEADMM CCC1CCC(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)(C(=O)[O-])CC1 ZINC000908758301 939314256 /nfs/dbraw/zinc/31/42/56/939314256.db2.gz JADCMJURIUAEBH-KOHRHEQBSA-N -1 1 369.506 2.066 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000908759870 939314882 /nfs/dbraw/zinc/31/48/82/939314882.db2.gz JBIAWHKPLPVMFQ-DNVCBOLYSA-N -1 1 369.506 2.066 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000908770068 939317190 /nfs/dbraw/zinc/31/71/90/939317190.db2.gz IUTKYMKCBQHPLF-SPYBWZPUSA-N -1 1 369.506 2.209 20 0 FEADMM CCC1CCC(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)(C(=O)[O-])CC1 ZINC000908770037 939317406 /nfs/dbraw/zinc/31/74/06/939317406.db2.gz ICXVFNLTBJXEEO-RXDZZFBJSA-N -1 1 369.506 2.209 20 0 FEADMM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]C2(C(F)F)CC2)cc1 ZINC000800336773 674042613 /nfs/dbraw/zinc/04/26/13/674042613.db2.gz DGHJYOSAMYIGSK-UHFFFAOYSA-N -1 1 362.323 2.159 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1OC ZINC000007940429 539471815 /nfs/dbraw/zinc/47/18/15/539471815.db2.gz CBENTVAGOOZDTJ-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM Cn1cn[n-]c1=NC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1 ZINC000519859306 539503485 /nfs/dbraw/zinc/50/34/85/539503485.db2.gz KWXAIPRWKCYUDM-UHFFFAOYSA-N -1 1 374.404 2.403 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000013262498 539585233 /nfs/dbraw/zinc/58/52/33/539585233.db2.gz GYSPYJBXBFPAFA-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024222437 539728107 /nfs/dbraw/zinc/72/81/07/539728107.db2.gz AUJKJOYLPZFCHF-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)C(C)C)o1 ZINC000027634325 539813149 /nfs/dbraw/zinc/81/31/49/539813149.db2.gz KVGMOBSHZFJCTM-CQSZACIVSA-N -1 1 350.440 2.357 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1C(N)=O ZINC000032081096 539927684 /nfs/dbraw/zinc/92/76/84/539927684.db2.gz FVWACOFLMYFDKZ-UHFFFAOYSA-N -1 1 352.437 2.317 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1C ZINC000036833103 539994955 /nfs/dbraw/zinc/99/49/55/539994955.db2.gz ZNPMKRYEWFLXQS-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM COc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000042105237 540051121 /nfs/dbraw/zinc/05/11/21/540051121.db2.gz KJNGIUASHRFOQD-UHFFFAOYSA-N -1 1 350.378 2.330 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1 ZINC000045678678 540221170 /nfs/dbraw/zinc/22/11/70/540221170.db2.gz PUWLIEUKIZCUIL-UHFFFAOYSA-N -1 1 359.407 2.220 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000046704752 540267492 /nfs/dbraw/zinc/26/74/92/540267492.db2.gz KLADZIDAGYEYCG-UHFFFAOYSA-N -1 1 362.407 2.472 20 0 FEADMM Cc1ncsc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000046583333 540262393 /nfs/dbraw/zinc/26/23/93/540262393.db2.gz SJMWQRBJNUHZFA-UHFFFAOYSA-N -1 1 367.452 2.194 20 0 FEADMM CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000047906674 540333242 /nfs/dbraw/zinc/33/32/42/540333242.db2.gz ZWSSIYIVWUDRPR-UHFFFAOYSA-N -1 1 351.380 2.350 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000051266549 540428304 /nfs/dbraw/zinc/42/83/04/540428304.db2.gz ZGAUGNWDMOYRJW-ZETCQYMHSA-N -1 1 373.722 2.469 20 0 FEADMM Cn1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000054289316 540581618 /nfs/dbraw/zinc/58/16/18/540581618.db2.gz OPXAFUVONRUTBO-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000055556157 540658599 /nfs/dbraw/zinc/65/85/99/540658599.db2.gz VQERSQULXCMYOY-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)CS(C)(=O)=O)c1 ZINC000825011511 675633457 /nfs/dbraw/zinc/63/34/57/675633457.db2.gz MJRXYORDWAJRDP-SNVBAGLBSA-N -1 1 352.378 2.019 20 0 FEADMM Cc1occc1CN(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000056252622 540714390 /nfs/dbraw/zinc/71/43/90/540714390.db2.gz UAEXPFHWLSXCMX-UHFFFAOYSA-N -1 1 352.394 2.243 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)o1 ZINC000056990997 540760011 /nfs/dbraw/zinc/76/00/11/540760011.db2.gz IEZOREWEUQATPP-CQSZACIVSA-N -1 1 366.414 2.174 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)cc2[nH]1 ZINC000057119320 540769474 /nfs/dbraw/zinc/76/94/74/540769474.db2.gz QIYLDXZNBGPYNE-UHFFFAOYSA-N -1 1 356.363 2.312 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(C)C)c2)o1 ZINC000057285413 540785607 /nfs/dbraw/zinc/78/56/07/540785607.db2.gz ONAIJABNWKNMER-UHFFFAOYSA-N -1 1 352.412 2.475 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccnc1 ZINC000058044021 540828073 /nfs/dbraw/zinc/82/80/73/540828073.db2.gz HFCJBJKXGSCUBR-UHFFFAOYSA-N -1 1 360.222 2.305 20 0 FEADMM CSc1nc2nc(C)c(CC(=O)[N-]OCc3ccccc3)c(C)n2n1 ZINC000058348509 540839939 /nfs/dbraw/zinc/83/99/39/540839939.db2.gz KOROCHPNAIJZPW-UHFFFAOYSA-N -1 1 357.439 2.254 20 0 FEADMM Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000063810069 541186796 /nfs/dbraw/zinc/18/67/96/541186796.db2.gz ZYCNHQXWNSOBJD-HNNXBMFYSA-N -1 1 373.434 2.013 20 0 FEADMM CN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000066041543 541278258 /nfs/dbraw/zinc/27/82/58/541278258.db2.gz LMBAZZQSGOXJRL-UHFFFAOYSA-N -1 1 355.232 2.095 20 0 FEADMM Cc1nn(C)c2nc(C)cc(C(=O)NCc3n[n-]c(=S)n3C(C)C)c12 ZINC000066639767 541352926 /nfs/dbraw/zinc/35/29/26/541352926.db2.gz VORFZDXBVNYSPI-UHFFFAOYSA-N -1 1 359.459 2.350 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n[n-]c1=S ZINC000066649999 541354903 /nfs/dbraw/zinc/35/49/03/541354903.db2.gz RVLQRILAHXXONY-AWEZNQCLSA-N -1 1 373.482 2.186 20 0 FEADMM CCS(=O)(=O)CCCCCOC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203064 674109390 /nfs/dbraw/zinc/10/93/90/674109390.db2.gz FASSAPDRXWPTPD-UHFFFAOYSA-N -1 1 366.439 2.340 20 0 FEADMM COc1ccc(CCC(=O)NCCc2n[n-]c(=S)n2C)cc1Cl ZINC000067051277 541411201 /nfs/dbraw/zinc/41/12/01/541411201.db2.gz FSSSKUBNJWOWDB-UHFFFAOYSA-N -1 1 354.863 2.431 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cnc3ccccc3c2O)n[n-]c1=S ZINC000067073767 541413775 /nfs/dbraw/zinc/41/37/75/541413775.db2.gz YOFUXUJYSXRYCV-UHFFFAOYSA-N -1 1 357.439 2.336 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1S(N)(=O)=O ZINC000067124672 541420475 /nfs/dbraw/zinc/42/04/75/541420475.db2.gz QLECDGSUDDGJJE-UHFFFAOYSA-N -1 1 368.480 2.314 20 0 FEADMM Cc1n[nH]cc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000068239171 541567059 /nfs/dbraw/zinc/56/70/59/541567059.db2.gz JLQDKDCQMXVPRJ-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM CCn1c(C2CCN(C(=O)COCC(F)(F)F)CC2)n[n-]c1=S ZINC000068452486 541594546 /nfs/dbraw/zinc/59/45/46/541594546.db2.gz NQBBRPMDNFYZQC-UHFFFAOYSA-N -1 1 352.382 2.245 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1 ZINC000068785027 541628347 /nfs/dbraw/zinc/62/83/47/541628347.db2.gz OOWQELNISZOTIM-UHFFFAOYSA-N -1 1 368.480 2.399 20 0 FEADMM NC(=O)c1cccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)c1 ZINC000069300339 541676208 /nfs/dbraw/zinc/67/62/08/541676208.db2.gz GHTOZPMLTREHRE-UHFFFAOYSA-N -1 1 362.455 2.000 20 0 FEADMM CCCc1nc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)no1 ZINC000069300422 541675970 /nfs/dbraw/zinc/67/59/70/541675970.db2.gz VEWCNIHSFNFXNI-UHFFFAOYSA-N -1 1 353.448 2.237 20 0 FEADMM O=C(OCCCN1CCOCC1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801372083 674124768 /nfs/dbraw/zinc/12/47/68/674124768.db2.gz XSUNJUHFJQZACS-UHFFFAOYSA-N -1 1 365.817 2.110 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(CCC(C)C)cc2)n1 ZINC000073890407 542010812 /nfs/dbraw/zinc/01/08/12/542010812.db2.gz AFBMDVFJNZDGQI-UHFFFAOYSA-N -1 1 350.444 2.379 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000074162138 542045613 /nfs/dbraw/zinc/04/56/13/542045613.db2.gz KIDBRPKKXFWEBM-UHFFFAOYSA-N -1 1 366.421 2.227 20 0 FEADMM CNC(=O)CC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000074831337 542125111 /nfs/dbraw/zinc/12/51/11/542125111.db2.gz PUQMMRWQMWTKBH-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3sc(N4CCCC4)nc3Cl)ccnc1-2 ZINC000801702149 674144443 /nfs/dbraw/zinc/14/44/43/674144443.db2.gz SJAFSTBBMVLNGZ-UHFFFAOYSA-N -1 1 362.846 2.304 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000076839395 542325184 /nfs/dbraw/zinc/32/51/84/542325184.db2.gz LZPCBDGIGDGCGY-UHFFFAOYSA-N -1 1 362.407 2.121 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](Nc3ccccc3)C2)c(=O)[n-]1 ZINC000076969366 542337290 /nfs/dbraw/zinc/33/72/90/542337290.db2.gz CZWVOJZJNCBBIG-OAHLLOKOSA-N -1 1 372.494 2.446 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)CCCCC1 ZINC000551518746 674148764 /nfs/dbraw/zinc/14/87/64/674148764.db2.gz MYNBYIGHEATIPF-UHFFFAOYSA-N -1 1 358.460 2.267 20 0 FEADMM O=C(NC1CCC(C(=O)N2CCSCC2)CC1)c1cc(F)ccc1[O-] ZINC000080023078 542558747 /nfs/dbraw/zinc/55/87/47/542558747.db2.gz QQXUTIPSKKAFOA-UHFFFAOYSA-N -1 1 366.458 2.395 20 0 FEADMM Cc1cc2cccnc2c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000092505738 542867032 /nfs/dbraw/zinc/86/70/32/542867032.db2.gz VTRFBCYBXMOMSK-UHFFFAOYSA-N -1 1 361.361 2.441 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3cccc(C)c3)CC2)o1 ZINC000092695787 542882943 /nfs/dbraw/zinc/88/29/43/542882943.db2.gz YRTAPRRRONWEEE-UHFFFAOYSA-N -1 1 360.435 2.426 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000098022663 543017756 /nfs/dbraw/zinc/01/77/56/543017756.db2.gz DZFLEJXWWYFSEB-CQSZACIVSA-N -1 1 353.378 2.338 20 0 FEADMM CCN(CCNS(=O)(=O)c1ccc(F)cc1Br)C1CC1 ZINC000102183743 543062295 /nfs/dbraw/zinc/06/22/95/543062295.db2.gz DVKTZBDYKMNJRN-UHFFFAOYSA-N -1 1 365.268 2.351 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104313427 543128251 /nfs/dbraw/zinc/12/82/51/543128251.db2.gz QQNAGVBQZACTHL-SNVBAGLBSA-N -1 1 368.319 2.459 20 0 FEADMM CCOc1cccc2c1OC[C@@H](C(=O)Nc1nc(-c3ccccn3)n[nH]1)C2 ZINC000106749493 543244782 /nfs/dbraw/zinc/24/47/82/543244782.db2.gz AOCQSDYWIREGFN-ZDUSSCGKSA-N -1 1 365.393 2.455 20 0 FEADMM C[C@H]1CCCCN1C(=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108593123 543296820 /nfs/dbraw/zinc/29/68/20/543296820.db2.gz PNBRTQJFQXJNEC-ZDUSSCGKSA-N -1 1 368.503 2.102 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCc2ccccc21 ZINC000110372550 543356458 /nfs/dbraw/zinc/35/64/58/543356458.db2.gz MNJUALOBCNNMKT-OAHLLOKOSA-N -1 1 350.422 2.028 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000110565995 543360910 /nfs/dbraw/zinc/36/09/10/543360910.db2.gz FSBLNDAOFBCAHM-BIBXISHDSA-N -1 1 350.422 2.232 20 0 FEADMM O=C(NCCc1cccs1)C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111585062 543407124 /nfs/dbraw/zinc/40/71/24/543407124.db2.gz KCLDNBKJGPVARF-UHFFFAOYSA-N -1 1 359.451 2.060 20 0 FEADMM O=C(CCNC(=O)c1cncc([O-])c1)Nc1ccc(Br)cc1 ZINC000111574860 543407386 /nfs/dbraw/zinc/40/73/86/543407386.db2.gz BSCYHFUQSLEBIQ-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000113421777 543487008 /nfs/dbraw/zinc/48/70/08/543487008.db2.gz SMHFACCXSMPVCU-UHFFFAOYSA-N -1 1 368.846 2.312 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[n-]1 ZINC000113421777 543487011 /nfs/dbraw/zinc/48/70/11/543487011.db2.gz SMHFACCXSMPVCU-UHFFFAOYSA-N -1 1 368.846 2.312 20 0 FEADMM Cc1cccnc1[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000115110222 543552018 /nfs/dbraw/zinc/55/20/18/543552018.db2.gz PUQADLTUZRWUJE-LJQANCHMSA-N -1 1 367.453 2.399 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000552139883 674190848 /nfs/dbraw/zinc/19/08/48/674190848.db2.gz ARMXGGZUCYXLQF-AOOOYVTPSA-N -1 1 371.174 2.333 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc[nH]c(=O)c1 ZINC000123402830 543759467 /nfs/dbraw/zinc/75/94/67/543759467.db2.gz JCPUWJULGJBCBT-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000123439256 543761651 /nfs/dbraw/zinc/76/16/51/543761651.db2.gz NSRLHRSABJVDSL-VXGBXAGGSA-N -1 1 350.396 2.402 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1nc(C2CC2)no1 ZINC000123933935 543792003 /nfs/dbraw/zinc/79/20/03/543792003.db2.gz FJSKSBGUPOKKLI-JTQLQIEISA-N -1 1 359.839 2.010 20 0 FEADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124314541 543813589 /nfs/dbraw/zinc/81/35/89/543813589.db2.gz OJBROKFXLMAJIJ-ZYHUDNBSSA-N -1 1 356.434 2.100 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000124409545 543819392 /nfs/dbraw/zinc/81/93/92/543819392.db2.gz HFJMLWBZCDEPJH-UHFFFAOYSA-N -1 1 374.871 2.124 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nn[n-]n1 ZINC000124047135 543798133 /nfs/dbraw/zinc/79/81/33/543798133.db2.gz VKKIYSHSZCVNRB-SNVBAGLBSA-N -1 1 353.386 2.003 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc(Cl)cc(Br)c1)c1nn[n-]n1 ZINC000124058170 543798896 /nfs/dbraw/zinc/79/88/96/543798896.db2.gz JPUFDQCLTXYROS-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)cc1 ZINC000126020059 543913823 /nfs/dbraw/zinc/91/38/23/543913823.db2.gz JWHLYDYOROYBML-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)c1 ZINC000126272945 543927391 /nfs/dbraw/zinc/92/73/91/543927391.db2.gz FBOCASWPLIWXKV-UHFFFAOYSA-N -1 1 360.483 2.326 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)o1 ZINC000125723748 543898106 /nfs/dbraw/zinc/89/81/06/543898106.db2.gz WIKXQQJOXKBQDV-UHFFFAOYSA-N -1 1 367.427 2.246 20 0 FEADMM CCc1ccc(-c2noc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)n2)cc1 ZINC000127132882 543974431 /nfs/dbraw/zinc/97/44/31/543974431.db2.gz WLFNJHOHKHDONU-UHFFFAOYSA-N -1 1 359.411 2.268 20 0 FEADMM CCc1cc2c(CN3CCS(=O)(=O)[C@@H](C)[C@@H]3C)cc(=O)oc2cc1[O-] ZINC000126764853 543954972 /nfs/dbraw/zinc/95/49/72/543954972.db2.gz YJHZKGDRQFRPGT-RYUDHWBXSA-N -1 1 365.451 2.068 20 0 FEADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[nH]n1 ZINC000126759054 543955070 /nfs/dbraw/zinc/95/50/70/543955070.db2.gz GHWNSAOFYJHICQ-UHFFFAOYSA-N -1 1 362.455 2.085 20 0 FEADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[nH]n1 ZINC000126779907 543956603 /nfs/dbraw/zinc/95/66/03/543956603.db2.gz GXAAUIGPJOEACG-UHFFFAOYSA-N -1 1 371.484 2.203 20 0 FEADMM CCn1c(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)nc2ccccc21 ZINC000126868981 543961077 /nfs/dbraw/zinc/96/10/77/543961077.db2.gz PVNKKOLQWVCWTR-UHFFFAOYSA-N -1 1 361.405 2.265 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000128774590 544071513 /nfs/dbraw/zinc/07/15/13/544071513.db2.gz FTNGHSLQSUAKNK-FZMZJTMJSA-N -1 1 359.426 2.409 20 0 FEADMM CC[C@H](c1ccncc1)N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000128348147 544047606 /nfs/dbraw/zinc/04/76/06/544047606.db2.gz UBDGMFOPLOLAGP-MRXNPFEDSA-N -1 1 353.426 2.187 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(Br)o2)s1 ZINC000128362492 544048045 /nfs/dbraw/zinc/04/80/45/544048045.db2.gz HZZNSAHOJZJWLG-UHFFFAOYSA-N -1 1 360.189 2.252 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CO)ccc2C)cc1 ZINC000129209885 544097152 /nfs/dbraw/zinc/09/71/52/544097152.db2.gz ZMPLQHBPICBXMF-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130532476 544154715 /nfs/dbraw/zinc/15/47/15/544154715.db2.gz VKBHXAIMAOCOSO-UHFFFAOYSA-N -1 1 352.437 2.076 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccc(OC)cc1 ZINC000552210073 674195340 /nfs/dbraw/zinc/19/53/40/674195340.db2.gz LBRZWXPNCXJULV-OAHLLOKOSA-N -1 1 353.371 2.027 20 0 FEADMM CNC(=O)CC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000133558198 544275193 /nfs/dbraw/zinc/27/51/93/544275193.db2.gz NHOKBJNGTQHOPA-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM O=C(Nc1nnn[n-]1)c1cccnc1Oc1cccc(Br)c1 ZINC000135466304 544348069 /nfs/dbraw/zinc/34/80/69/544348069.db2.gz QOTLHSBGBKKQKD-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM O=C(Nc1nn[n-]n1)c1cccnc1Oc1cccc(Br)c1 ZINC000135466304 544348071 /nfs/dbraw/zinc/34/80/71/544348071.db2.gz QOTLHSBGBKKQKD-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM CCc1ncc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)s1 ZINC000150123107 544461185 /nfs/dbraw/zinc/46/11/85/544461185.db2.gz JEPHCGXPLAQNIV-UHFFFAOYSA-N -1 1 355.441 2.338 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C12CCCCC2 ZINC000153481715 544781506 /nfs/dbraw/zinc/78/15/06/544781506.db2.gz IVICIBLDVMWMRX-KGLIPLIRSA-N -1 1 370.471 2.045 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n[n-]1 ZINC000153141443 544737600 /nfs/dbraw/zinc/73/76/00/544737600.db2.gz PCWPZAIOMJYWGD-SECBINFHSA-N -1 1 365.390 2.400 20 0 FEADMM CCC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000154521034 544916821 /nfs/dbraw/zinc/91/68/21/544916821.db2.gz XWJZTGSBLXUZOE-INIZCTEOSA-N -1 1 362.451 2.378 20 0 FEADMM Cc1oc(C2CC2)nc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000803340326 674236732 /nfs/dbraw/zinc/23/67/32/674236732.db2.gz VGWVQFHCADGGFF-UHFFFAOYSA-N -1 1 359.348 2.391 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179948975 327665636 /nfs/dbraw/zinc/66/56/36/327665636.db2.gz CVJQMAJBFGMPFG-OAHLLOKOSA-N -1 1 374.828 2.033 20 0 FEADMM O=S(=O)([N-]CCCCCCO)c1cc(Br)cnc1Cl ZINC000180654502 327695804 /nfs/dbraw/zinc/69/58/04/327695804.db2.gz NSMVYIPESFFTBF-UHFFFAOYSA-N -1 1 371.684 2.329 20 0 FEADMM COCCc1noc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000180707760 327698472 /nfs/dbraw/zinc/69/84/72/327698472.db2.gz FIWOOJDHZXQWFA-UHFFFAOYSA-N -1 1 359.304 2.255 20 0 FEADMM COC[C@@H](NCC(=O)[N-]OCc1ccccc1)c1ccc(F)c(F)c1 ZINC000181449077 327731029 /nfs/dbraw/zinc/73/10/29/327731029.db2.gz GAXGZLUPNQIHCB-QGZVFWFLSA-N -1 1 350.365 2.490 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(N(C)C)n1 ZINC000183966572 327843922 /nfs/dbraw/zinc/84/39/22/327843922.db2.gz VYFCFCSIYJPJSK-UHFFFAOYSA-N -1 1 354.414 2.084 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000185282781 327909607 /nfs/dbraw/zinc/90/96/07/327909607.db2.gz GQDNQRKSBAOOSD-ZDUSSCGKSA-N -1 1 357.410 2.444 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187105896 328002351 /nfs/dbraw/zinc/00/23/51/328002351.db2.gz APTOWNPJVIWMOJ-INIZCTEOSA-N -1 1 371.343 2.415 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H](C)CN2CCCCCC2)sc1C(=O)[O-] ZINC000187127568 328003585 /nfs/dbraw/zinc/00/35/85/328003585.db2.gz HAPGHBFRFMZNJA-GFCCVEGCSA-N -1 1 360.501 2.298 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)c2ccccc2)nc1)c1nn[n-]n1 ZINC000187270496 328012339 /nfs/dbraw/zinc/01/23/39/328012339.db2.gz VWKDVNCGRRCYCB-ZDUSSCGKSA-N -1 1 351.414 2.238 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1ccco1 ZINC000187402355 328022808 /nfs/dbraw/zinc/02/28/08/328022808.db2.gz PFUPLGJNWFHXCM-OAHLLOKOSA-N -1 1 359.407 2.403 20 0 FEADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)o1 ZINC000188078135 328064484 /nfs/dbraw/zinc/06/44/84/328064484.db2.gz WTXVNGJLOBISGM-UHFFFAOYSA-N -1 1 367.185 2.303 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCOc2ccc(Cl)cc2)n1 ZINC000188098934 328065990 /nfs/dbraw/zinc/06/59/90/328065990.db2.gz KHFZVJNBRFFXPV-UHFFFAOYSA-N -1 1 367.858 2.273 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC[C@H](O)C1)c1cc(Br)c(F)cc1F ZINC000188334084 328081526 /nfs/dbraw/zinc/08/15/26/328081526.db2.gz KTSBWQXBASRWCG-SFYZADRCSA-N -1 1 370.215 2.167 20 0 FEADMM Cc1ccc(C(=O)CC(C)(C)CC(=O)NCCCc2nc(=O)[n-][nH]2)cc1 ZINC000189532016 328153386 /nfs/dbraw/zinc/15/33/86/328153386.db2.gz XYQPLEDHDGBMHE-UHFFFAOYSA-N -1 1 358.442 2.145 20 0 FEADMM CCOc1cc(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)cc(Cl)c1[O-] ZINC000189726439 328164814 /nfs/dbraw/zinc/16/48/14/328164814.db2.gz VQJVIVJQQOPJHZ-UHFFFAOYSA-N -1 1 364.833 2.438 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190210880 328194562 /nfs/dbraw/zinc/19/45/62/328194562.db2.gz LZSAGNYQRWCTFH-MRXNPFEDSA-N -1 1 366.421 2.081 20 0 FEADMM C[C@H](O)[C@](C)(CNC(=O)c1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000191441796 328265813 /nfs/dbraw/zinc/26/58/13/328265813.db2.gz SNOFNOGXSUWZDW-QKKBWIMNSA-N -1 1 365.433 2.283 20 0 FEADMM C[C@H](O)[C@@](C)(CNC(=O)c1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000191441825 328265835 /nfs/dbraw/zinc/26/58/35/328265835.db2.gz SNOFNOGXSUWZDW-LHSJRXKWSA-N -1 1 365.433 2.283 20 0 FEADMM CN(C)C(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191911640 328288307 /nfs/dbraw/zinc/28/83/07/328288307.db2.gz FTBWVBONUFDCBJ-UHFFFAOYSA-N -1 1 357.234 2.279 20 0 FEADMM CCO[C@H](CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000192766852 328338315 /nfs/dbraw/zinc/33/83/15/328338315.db2.gz IMNIJPIFHMINDH-QGZVFWFLSA-N -1 1 368.437 2.076 20 0 FEADMM O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ncccc1[O-] ZINC000194661345 328434749 /nfs/dbraw/zinc/43/47/49/328434749.db2.gz DPRAOFZYGBEKGJ-HNNXBMFYSA-N -1 1 361.829 2.244 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)NCCN1CCc2ccccc21 ZINC000195085664 328455519 /nfs/dbraw/zinc/45/55/19/328455519.db2.gz NKYSOBUQFFCRCQ-UHFFFAOYSA-N -1 1 370.478 2.331 20 0 FEADMM COc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1OC ZINC000014264013 324377551 /nfs/dbraw/zinc/37/75/51/324377551.db2.gz IDUKZFCNQQFLPJ-UHFFFAOYSA-N -1 1 363.439 2.389 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1 ZINC000029432881 324447726 /nfs/dbraw/zinc/44/77/26/324447726.db2.gz GDCZGJSWBSOKIY-UHFFFAOYSA-N -1 1 357.395 2.027 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)c1Cl ZINC000030421463 324458906 /nfs/dbraw/zinc/45/89/06/324458906.db2.gz BMNNMWVGTDOLCH-UHFFFAOYSA-N -1 1 370.862 2.268 20 0 FEADMM CCCCOCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000195492158 328479966 /nfs/dbraw/zinc/47/99/66/328479966.db2.gz KIRWLFXHEFIRTB-UHFFFAOYSA-N -1 1 358.442 2.006 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1cc(Br)cnc1Cl ZINC000052008972 324711182 /nfs/dbraw/zinc/71/11/82/324711182.db2.gz QEXLMGRGYWDBIT-DTWKUNHWSA-N -1 1 369.668 2.079 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C1CCN(CC)CC1 ZINC000236855313 328496397 /nfs/dbraw/zinc/49/63/97/328496397.db2.gz FACJIAPRXTZHJW-UHFFFAOYSA-N -1 1 354.472 2.052 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)o1 ZINC000076652313 324958197 /nfs/dbraw/zinc/95/81/97/324958197.db2.gz YRVKOYPMASYHHH-ZDUSSCGKSA-N -1 1 366.414 2.032 20 0 FEADMM O=C(NCc1cccc(Cn2cccn2)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000079418946 325090136 /nfs/dbraw/zinc/09/01/36/325090136.db2.gz GFNLWELPHNKWNT-UHFFFAOYSA-N -1 1 359.389 2.098 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c1 ZINC000083577353 325219147 /nfs/dbraw/zinc/21/91/47/325219147.db2.gz QHTAZTTTXGJMCY-UHFFFAOYSA-N -1 1 360.483 2.197 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)n[n-]1 ZINC000086170716 325262095 /nfs/dbraw/zinc/26/20/95/325262095.db2.gz AMLGDVFQDWXEDD-VIFPVBQESA-N -1 1 356.835 2.130 20 0 FEADMM CCOCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000103151911 325508755 /nfs/dbraw/zinc/50/87/55/325508755.db2.gz DBOUCGCXDOOMHJ-UHFFFAOYSA-N -1 1 358.204 2.432 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(OC2CCCC2)CC1 ZINC000104877469 325549132 /nfs/dbraw/zinc/54/91/32/325549132.db2.gz PFBBADSEDJIABG-UHFFFAOYSA-N -1 1 372.469 2.132 20 0 FEADMM O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000104910768 325550699 /nfs/dbraw/zinc/55/06/99/325550699.db2.gz LIKMGGKLVXGXTO-ZDUSSCGKSA-N -1 1 350.212 2.488 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000109045050 325656961 /nfs/dbraw/zinc/65/69/61/325656961.db2.gz CRJRSWUNSKRZIW-UHFFFAOYSA-N -1 1 363.377 2.476 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000114411971 325890583 /nfs/dbraw/zinc/89/05/83/325890583.db2.gz BULDFDYIYUGCLF-UHFFFAOYSA-N -1 1 353.357 2.190 20 0 FEADMM CC(C)c1c(C(=O)Nc2nnn[n-]2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000118685421 326097630 /nfs/dbraw/zinc/09/76/30/326097630.db2.gz RYJPPOASLBXDRI-UHFFFAOYSA-N -1 1 366.307 2.175 20 0 FEADMM CC(C)c1c(C(=O)Nc2nn[n-]n2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000118685421 326097632 /nfs/dbraw/zinc/09/76/32/326097632.db2.gz RYJPPOASLBXDRI-UHFFFAOYSA-N -1 1 366.307 2.175 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC[C@H](C)O)cc2)cc1 ZINC000118720189 326099180 /nfs/dbraw/zinc/09/91/80/326099180.db2.gz HMKSZQCEIXINJB-AWEZNQCLSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CCO1 ZINC000119285666 326145029 /nfs/dbraw/zinc/14/50/29/326145029.db2.gz DFMYPJBDIFSVIU-INIZCTEOSA-N -1 1 352.394 2.196 20 0 FEADMM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000119962336 326216054 /nfs/dbraw/zinc/21/60/54/326216054.db2.gz UQTKNCVREPPICL-NTSWFWBYSA-N -1 1 350.314 2.446 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)CO)c2)cc1 ZINC000120505968 326263996 /nfs/dbraw/zinc/26/39/96/326263996.db2.gz QXHATPMKSFGKAR-AWEZNQCLSA-N -1 1 362.451 2.154 20 0 FEADMM O=C(Cc1cc[nH]n1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000121208545 326321932 /nfs/dbraw/zinc/32/19/32/326321932.db2.gz WMMHHMSYAARIMT-UHFFFAOYSA-N -1 1 356.407 2.392 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1O ZINC000121263388 326325868 /nfs/dbraw/zinc/32/58/68/326325868.db2.gz ZAPJKLXIUHULOO-UHFFFAOYSA-N -1 1 350.378 2.417 20 0 FEADMM CCC(CC)c1nnc([N-]C(=O)c2coc(S(=O)(=O)NC)c2)s1 ZINC000121884730 326374038 /nfs/dbraw/zinc/37/40/38/326374038.db2.gz XEHKBTLBGTUTQS-UHFFFAOYSA-N -1 1 358.445 2.195 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000121918586 326376046 /nfs/dbraw/zinc/37/60/46/326376046.db2.gz BFVQXEYQEBSZGS-QGZVFWFLSA-N -1 1 354.406 2.009 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1C ZINC000122206976 326388055 /nfs/dbraw/zinc/38/80/55/326388055.db2.gz MQUZYCYLZKNQLQ-UHFFFAOYSA-N -1 1 358.423 2.444 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(CCO)C1CC1 ZINC000122365488 326394121 /nfs/dbraw/zinc/39/41/21/326394121.db2.gz IHWMHWCIEDEMNY-UHFFFAOYSA-N -1 1 360.435 2.084 20 0 FEADMM Cc1cc(C)n(-c2ccc(CNC(=O)c3nc4ccccc4c(=O)[n-]3)cn2)n1 ZINC000122807484 326409895 /nfs/dbraw/zinc/40/98/95/326409895.db2.gz RMORMWZCFBHFRS-UHFFFAOYSA-N -1 1 374.404 2.051 20 0 FEADMM CCOC(=O)CN1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000123492664 326433620 /nfs/dbraw/zinc/43/36/20/326433620.db2.gz IKEYBWNICVBILA-UHFFFAOYSA-N -1 1 356.422 2.256 20 0 FEADMM CCOc1cc(C(=O)NCc2c(C)nn(C)c2OC)cc(Cl)c1[O-] ZINC000123549407 326435473 /nfs/dbraw/zinc/43/54/73/326435473.db2.gz BJXIVJVRGQZCIP-UHFFFAOYSA-N -1 1 353.806 2.425 20 0 FEADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000123799470 326442520 /nfs/dbraw/zinc/44/25/20/326442520.db2.gz XDXLGADASACMLY-CABZTGNLSA-N -1 1 361.826 2.003 20 0 FEADMM O=S(=O)([N-]c1ccncc1)c1cccc(I)c1 ZINC000125483558 326472506 /nfs/dbraw/zinc/47/25/06/326472506.db2.gz CNYNBVCBVHLYCV-UHFFFAOYSA-N -1 1 360.176 2.487 20 0 FEADMM O=C(NC1(c2ncon2)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000129528750 326541980 /nfs/dbraw/zinc/54/19/80/326541980.db2.gz PPYWWCUTMWDTTJ-UHFFFAOYSA-N -1 1 357.288 2.230 20 0 FEADMM COC(=O)[C@H](C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000132591798 326595158 /nfs/dbraw/zinc/59/51/58/326595158.db2.gz DJSHEIYYPHZRDU-SNVBAGLBSA-N -1 1 357.819 2.077 20 0 FEADMM Cc1nsc(N2CCCN(C(=O)c3c([O-])cnc4ccccc43)CC2)n1 ZINC000136950888 326656511 /nfs/dbraw/zinc/65/65/11/326656511.db2.gz LEGKIOVZRALKBN-UHFFFAOYSA-N -1 1 369.450 2.453 20 0 FEADMM COc1cc(C(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000153961190 326747491 /nfs/dbraw/zinc/74/74/91/326747491.db2.gz WBHJPBBXPMPBOI-AWEZNQCLSA-N -1 1 351.790 2.001 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3CO)cc2)cc1 ZINC000153990672 326748295 /nfs/dbraw/zinc/74/82/95/326748295.db2.gz OKFLDLITDLNMMJ-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCC[C@H]1O)c1cc(Br)c(F)cc1F ZINC000162757212 327033932 /nfs/dbraw/zinc/03/39/32/327033932.db2.gz LLAVQLPWJUMIOL-WRWORJQWSA-N -1 1 370.215 2.167 20 0 FEADMM CC1(C)Cc2cc(C(=O)NN3CC(=O)[N-]C3=O)sc2-c2ccccc21 ZINC000171265118 327128639 /nfs/dbraw/zinc/12/86/39/327128639.db2.gz LJLCEGVZLGBNMG-UHFFFAOYSA-N -1 1 355.419 2.445 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000171297005 327130421 /nfs/dbraw/zinc/13/04/21/327130421.db2.gz IGBMJXSGBJPYKG-SFHVURJKSA-N -1 1 368.433 2.399 20 0 FEADMM CCN(CCc1ccccc1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000171449807 327140135 /nfs/dbraw/zinc/14/01/35/327140135.db2.gz KMTQZORPYGKIQO-UHFFFAOYSA-N -1 1 352.438 2.273 20 0 FEADMM Cc1cc(C(=O)Nc2nc3ccccc3s2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172601234 327210550 /nfs/dbraw/zinc/21/05/50/327210550.db2.gz GGWOGNUWPKJGRX-UHFFFAOYSA-N -1 1 353.363 2.194 20 0 FEADMM Cc1cc(C(=O)Nc2nc3ccccc3s2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000172601234 327210551 /nfs/dbraw/zinc/21/05/51/327210551.db2.gz GGWOGNUWPKJGRX-UHFFFAOYSA-N -1 1 353.363 2.194 20 0 FEADMM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000172658608 327213829 /nfs/dbraw/zinc/21/38/29/327213829.db2.gz XZZDHXDYLZAUAJ-SNVBAGLBSA-N -1 1 370.780 2.306 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[N@@H+](C)C1CC1 ZINC000173109150 327235814 /nfs/dbraw/zinc/23/58/14/327235814.db2.gz ZXCPNMHFLSUKLT-SECBINFHSA-N -1 1 365.268 2.349 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@@H](C(C)C)C1 ZINC000174268957 327316482 /nfs/dbraw/zinc/31/64/82/327316482.db2.gz OPNHRTWFCZMLLV-MRXNPFEDSA-N -1 1 372.494 2.283 20 0 FEADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000175180110 327378600 /nfs/dbraw/zinc/37/86/00/327378600.db2.gz RCALYSATTMPPSB-AWEZNQCLSA-N -1 1 350.415 2.396 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](CCO)c1ccccc1 ZINC000175936695 327422734 /nfs/dbraw/zinc/42/27/34/327422734.db2.gz KDXCTAWMYZKZAR-HNNXBMFYSA-N -1 1 357.454 2.272 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000176413585 327454413 /nfs/dbraw/zinc/45/44/13/327454413.db2.gz VPMGWCBAXGZALF-HNNXBMFYSA-N -1 1 371.437 2.113 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176706438 327471344 /nfs/dbraw/zinc/47/13/44/327471344.db2.gz DIZVOGCKNZTZJV-UHFFFAOYSA-N -1 1 352.387 2.060 20 0 FEADMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000178746094 327604107 /nfs/dbraw/zinc/60/41/07/327604107.db2.gz AEGXSNNMJBCCEE-LBPRGKRZSA-N -1 1 372.231 2.413 20 0 FEADMM Cc1nn(-c2ccc(Br)cc2)cc1CN1CC(C(=O)[O-])C1 ZINC000263525996 328945795 /nfs/dbraw/zinc/94/57/95/328945795.db2.gz UCGKZPAMUDOTDR-UHFFFAOYSA-N -1 1 350.216 2.460 20 0 FEADMM COc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)c([O-])c1 ZINC000265523899 329135615 /nfs/dbraw/zinc/13/56/15/329135615.db2.gz POJSPBYGSRODKP-UHFFFAOYSA-N -1 1 370.405 2.434 20 0 FEADMM CO[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000266136544 329193788 /nfs/dbraw/zinc/19/37/88/329193788.db2.gz LFGKGLJMGQFSFW-JKSUJKDBSA-N -1 1 356.426 2.169 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000266974098 329278739 /nfs/dbraw/zinc/27/87/39/329278739.db2.gz VBBBRGYZKYUHHR-LLVKDONJSA-N -1 1 361.423 2.125 20 0 FEADMM COc1ccc(NC(=O)N2CCSC(C)(C)C2)cc1[N-]S(C)(=O)=O ZINC000267559653 329338495 /nfs/dbraw/zinc/33/84/95/329338495.db2.gz GGZIGGJSBYKJMC-UHFFFAOYSA-N -1 1 373.500 2.426 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nn[n-]n1 ZINC000268214676 329397812 /nfs/dbraw/zinc/39/78/12/329397812.db2.gz PEKUFMCENYGZMJ-CQSZACIVSA-N -1 1 369.404 2.284 20 0 FEADMM COc1ccc(NC(=O)Cc2nc(C)sc2C)cc1[N-]S(C)(=O)=O ZINC000268738145 329451254 /nfs/dbraw/zinc/45/12/54/329451254.db2.gz FHBWNOIAQUAPCK-UHFFFAOYSA-N -1 1 369.468 2.321 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1ccc(C)o1 ZINC000268996356 329476358 /nfs/dbraw/zinc/47/63/58/329476358.db2.gz WNNRLQIKJPXNHG-HNNXBMFYSA-N -1 1 355.412 2.271 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(F)n2)c1 ZINC000270582886 329612375 /nfs/dbraw/zinc/61/23/75/329612375.db2.gz GEHIYAKAJYXMGH-UHFFFAOYSA-N -1 1 367.402 2.209 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000271331495 329684837 /nfs/dbraw/zinc/68/48/37/329684837.db2.gz BAQJRFCEZOJFBO-GOEBONIOSA-N -1 1 360.458 2.304 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1([C@H](C)CCO)CCC1 ZINC000271848391 329730441 /nfs/dbraw/zinc/73/04/41/329730441.db2.gz IXJGUAXIRGITND-CYBMUJFWSA-N -1 1 374.485 2.289 20 0 FEADMM CCCc1nc(C)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000272152520 329756083 /nfs/dbraw/zinc/75/60/83/329756083.db2.gz RFUOJEFWGWULNL-UHFFFAOYSA-N -1 1 355.441 2.009 20 0 FEADMM CC[C@@](C)(CO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000272735513 329808981 /nfs/dbraw/zinc/80/89/81/329808981.db2.gz BKYYLYQTSOFCKX-AWEZNQCLSA-N -1 1 364.320 2.394 20 0 FEADMM CCOc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1[O-] ZINC000273974319 329906362 /nfs/dbraw/zinc/90/63/62/329906362.db2.gz SHMYWAQOMGFKMJ-LBPRGKRZSA-N -1 1 373.858 2.236 20 0 FEADMM CCOc1cc(C(=O)N(CC)[C@@H](C)CS(C)(=O)=O)cc(Cl)c1[O-] ZINC000273975834 329906505 /nfs/dbraw/zinc/90/65/05/329906505.db2.gz SMLYFKZTHCKLQH-JTQLQIEISA-N -1 1 363.863 2.340 20 0 FEADMM COCCC(C)(C)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000274205375 329926224 /nfs/dbraw/zinc/92/62/24/329926224.db2.gz MRAISLSVHYJYGM-UHFFFAOYSA-N -1 1 358.442 2.274 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000274408195 329945868 /nfs/dbraw/zinc/94/58/68/329945868.db2.gz HMWZAHOGNNOUAC-UHFFFAOYSA-N -1 1 370.862 2.495 20 0 FEADMM COC(=O)C1=NOC2(C1)CCN(C(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000274730190 329974989 /nfs/dbraw/zinc/97/49/89/329974989.db2.gz UGQUPHVOAKHEIJ-UHFFFAOYSA-N -1 1 368.389 2.470 20 0 FEADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000275365383 330040075 /nfs/dbraw/zinc/04/00/75/330040075.db2.gz UPJZPTQOXPRMCI-JTQLQIEISA-N -1 1 373.450 2.077 20 0 FEADMM O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000275383335 330042278 /nfs/dbraw/zinc/04/22/78/330042278.db2.gz MNOAPCWLAFHTIW-MRVPVSSYSA-N -1 1 350.724 2.186 20 0 FEADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000276288211 330137296 /nfs/dbraw/zinc/13/72/96/330137296.db2.gz JNLPADZTZPYMTF-QMMMGPOBSA-N -1 1 371.422 2.349 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000276316139 330140170 /nfs/dbraw/zinc/14/01/70/330140170.db2.gz NWQCIEWJMLOUHX-UHFFFAOYSA-N -1 1 369.464 2.080 20 0 FEADMM Cn1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000805101359 674318714 /nfs/dbraw/zinc/31/87/14/674318714.db2.gz XWCUIIUMIXEZTG-UHFFFAOYSA-N -1 1 355.634 2.254 20 0 FEADMM O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)c1ccc([O-])cc1 ZINC000554502648 674320285 /nfs/dbraw/zinc/32/02/85/674320285.db2.gz RWOFCGOWCZYBRP-UHFFFAOYSA-N -1 1 354.284 2.227 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@@H](c2ccsc2)N(C)C)s[n-]1 ZINC000554925528 674341748 /nfs/dbraw/zinc/34/17/48/674341748.db2.gz ZEVRXELOPHLGPE-ONGXEEELSA-N -1 1 355.489 2.153 20 0 FEADMM C[C@H]1CCN(CC(=O)NC2CCCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788863 674354371 /nfs/dbraw/zinc/35/43/71/674354371.db2.gz OSDQMDYLTINACA-HUBLWGQQSA-N -1 1 363.424 2.213 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c(C(F)(F)F)n1 ZINC000555334283 674357089 /nfs/dbraw/zinc/35/70/89/674357089.db2.gz NHTKSBBFZIHWMX-QWRGUYRKSA-N -1 1 369.409 2.049 20 0 FEADMM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]CC(C)(F)F ZINC000555412642 674359815 /nfs/dbraw/zinc/35/98/15/674359815.db2.gz GHKXXTXZGXKVPN-UHFFFAOYSA-N -1 1 356.778 2.241 20 0 FEADMM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)C1CCN(C2CC2)CC1 ZINC000805926541 674360593 /nfs/dbraw/zinc/36/05/93/674360593.db2.gz RQBCLWFJCLGEIY-UHFFFAOYSA-N -1 1 365.499 2.057 20 0 FEADMM CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC000275835179 523605313 /nfs/dbraw/zinc/60/53/13/523605313.db2.gz XFLFVIJLZDUNJR-AWEZNQCLSA-N -1 1 358.467 2.370 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(-c2ncco2)c1 ZINC000155351839 545515880 /nfs/dbraw/zinc/51/58/80/545515880.db2.gz GZMBKYVKSIHCRO-UHFFFAOYSA-N -1 1 363.377 2.476 20 0 FEADMM CC(C)c1noc(-c2ccccc2C(=O)N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC000155545706 545541404 /nfs/dbraw/zinc/54/14/04/545541404.db2.gz RSCATBFDFQOUHI-LBPRGKRZSA-N -1 1 367.413 2.393 20 0 FEADMM O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155632776 545552365 /nfs/dbraw/zinc/55/23/65/545552365.db2.gz FUPJHEMPYKPDFD-GFCCVEGCSA-N -1 1 372.429 2.406 20 0 FEADMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000477268183 561140694 /nfs/dbraw/zinc/14/06/94/561140694.db2.gz WGUBQFSNNHNYCN-UHFFFAOYSA-N -1 1 363.391 2.322 20 0 FEADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 ZINC000156398800 545624886 /nfs/dbraw/zinc/62/48/86/545624886.db2.gz OPWOVDRRVNWROY-UHFFFAOYSA-N -1 1 372.805 2.452 20 0 FEADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000156716197 545652234 /nfs/dbraw/zinc/65/22/34/545652234.db2.gz AUVUDXFRUSBMAG-UHFFFAOYSA-N -1 1 351.329 2.313 20 0 FEADMM O=c1cc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000157093158 545699191 /nfs/dbraw/zinc/69/91/91/545699191.db2.gz HYDGNCHKPSPPPY-WMLDXEAASA-N -1 1 371.389 2.416 20 0 FEADMM CCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@H]1CCc2ccccc2C1 ZINC000477621301 561149489 /nfs/dbraw/zinc/14/94/89/561149489.db2.gz LEXGLQFSARAEJP-AWEZNQCLSA-N -1 1 357.410 2.306 20 0 FEADMM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(NC(C)=O)n2)c1F ZINC000478078096 561159655 /nfs/dbraw/zinc/15/96/55/561159655.db2.gz DEFFRQCFAXUCLV-UHFFFAOYSA-N -1 1 355.322 2.419 20 0 FEADMM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1C ZINC000158655018 545880633 /nfs/dbraw/zinc/88/06/33/545880633.db2.gz CEEQMUVWZJBGJK-UHFFFAOYSA-N -1 1 362.333 2.096 20 0 FEADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000479130593 561182274 /nfs/dbraw/zinc/18/22/74/561182274.db2.gz MHODSGOWZFPFCC-UHFFFAOYSA-N -1 1 358.379 2.117 20 0 FEADMM C[C@]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC000479169332 561183350 /nfs/dbraw/zinc/18/33/50/561183350.db2.gz UBBALCXWYBYJCD-VIFPVBQESA-N -1 1 365.299 2.455 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OCC)C23CCC3)o1 ZINC000479206707 561184506 /nfs/dbraw/zinc/18/45/06/561184506.db2.gz HQYPVTWTVAWYOD-QWHCGFSZSA-N -1 1 357.428 2.082 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c1 ZINC000171338197 546203872 /nfs/dbraw/zinc/20/38/72/546203872.db2.gz MKRMDJHWKMHGGO-UHFFFAOYSA-N -1 1 362.386 2.354 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479233271 561185511 /nfs/dbraw/zinc/18/55/11/561185511.db2.gz ZPPBBWZGUVKSGU-UHFFFAOYSA-N -1 1 367.354 2.450 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1)OCO2 ZINC000479248928 561185793 /nfs/dbraw/zinc/18/57/93/561185793.db2.gz GGYGPHATZKOSGE-QFIPXVFZSA-N -1 1 353.421 2.262 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000176259217 546424891 /nfs/dbraw/zinc/42/48/91/546424891.db2.gz NYYRQZLAZTYSLL-VXGBXAGGSA-N -1 1 355.225 2.257 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)c1nn[n-]n1 ZINC000176786609 546488194 /nfs/dbraw/zinc/48/81/94/546488194.db2.gz YAMOSVAUCKRWAM-GXSJLCMTSA-N -1 1 368.235 2.387 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)o1 ZINC000480894376 561219569 /nfs/dbraw/zinc/21/95/69/561219569.db2.gz FQCJIWLGZKDCJR-INIZCTEOSA-N -1 1 359.444 2.066 20 0 FEADMM C[C@H](O)CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000177451998 546621093 /nfs/dbraw/zinc/62/10/93/546621093.db2.gz JQTSIJABCOGERM-AWEZNQCLSA-N -1 1 362.451 2.330 20 0 FEADMM CCC[C@@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1nn[n-]n1 ZINC000177651854 546660315 /nfs/dbraw/zinc/66/03/15/546660315.db2.gz RTIXSJZTTRHUSU-MRXNPFEDSA-N -1 1 366.425 2.130 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)ccc1[O-] ZINC000481583124 561236753 /nfs/dbraw/zinc/23/67/53/561236753.db2.gz WOEVVOHUWPZLLN-UHFFFAOYSA-N -1 1 360.395 2.336 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCOc3ccc(F)cc32)ccc1[O-] ZINC000481614626 561237436 /nfs/dbraw/zinc/23/74/36/561237436.db2.gz ZZFURGCOKBXPOV-UHFFFAOYSA-N -1 1 366.370 2.077 20 0 FEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000481700015 561239025 /nfs/dbraw/zinc/23/90/25/561239025.db2.gz ANEJIMNPYMPXFO-CXAGYDPISA-N -1 1 352.456 2.454 20 0 FEADMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(C)C ZINC000178928785 546875268 /nfs/dbraw/zinc/87/52/68/546875268.db2.gz HZDWUPNVDHIWER-JTQLQIEISA-N -1 1 372.796 2.408 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000481953231 561246155 /nfs/dbraw/zinc/24/61/55/561246155.db2.gz WPAFFISHAPUOAV-UHFFFAOYSA-N -1 1 370.377 2.491 20 0 FEADMM Cc1[nH]c2ccc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2c1C ZINC000179538856 546973547 /nfs/dbraw/zinc/97/35/47/546973547.db2.gz GPDJRPKOVFXDDP-UHFFFAOYSA-N -1 1 359.407 2.390 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000482200987 561249963 /nfs/dbraw/zinc/24/99/63/561249963.db2.gz VVXDWCRAEZTVPZ-ZJUUUORDSA-N -1 1 368.377 2.286 20 0 FEADMM O=S(=O)([N-]c1ccc2nncn2c1)c1ccc(OC(F)(F)F)cc1 ZINC000180115119 547054477 /nfs/dbraw/zinc/05/44/77/547054477.db2.gz JDBDDLRBWRNLNQ-UHFFFAOYSA-N -1 1 358.301 2.429 20 0 FEADMM O=C(CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000180805152 547183333 /nfs/dbraw/zinc/18/33/33/547183333.db2.gz DTEQYKSMSZKKRV-UHFFFAOYSA-N -1 1 358.419 2.196 20 0 FEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000181028998 547233457 /nfs/dbraw/zinc/23/34/57/547233457.db2.gz HFGXBSKGFXARGS-MNOVXSKESA-N -1 1 352.437 2.152 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COc1ccc(F)cc1F ZINC000181086719 547247446 /nfs/dbraw/zinc/24/74/46/547247446.db2.gz GPTJAAVSZNCCRI-UHFFFAOYSA-N -1 1 374.340 2.493 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CC(=O)NCC(F)(F)F)c1 ZINC000182189944 547450216 /nfs/dbraw/zinc/45/02/16/547450216.db2.gz TULXKJJPENHKJL-UHFFFAOYSA-N -1 1 369.137 2.470 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)ccc1C ZINC000182435289 547493300 /nfs/dbraw/zinc/49/33/00/547493300.db2.gz FCGHZMWWFBNUFZ-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)n[n-]1 ZINC000484051712 561290566 /nfs/dbraw/zinc/29/05/66/561290566.db2.gz MTXIGDUYJGAVHA-UHFFFAOYSA-N -1 1 374.209 2.249 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)n1 ZINC000484051712 561290567 /nfs/dbraw/zinc/29/05/67/561290567.db2.gz MTXIGDUYJGAVHA-UHFFFAOYSA-N -1 1 374.209 2.249 20 0 FEADMM C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000183197998 547618745 /nfs/dbraw/zinc/61/87/45/547618745.db2.gz MXQRPWRQSYGENW-JLPJYYFKSA-N -1 1 363.810 2.404 20 0 FEADMM COc1ccccc1Nc1ncccc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183411117 547652496 /nfs/dbraw/zinc/65/24/96/547652496.db2.gz BOPKNFSDVJYSCZ-GFCCVEGCSA-N -1 1 367.413 2.223 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1ccccc1Br)c1nn[n-]n1 ZINC000183412405 547654212 /nfs/dbraw/zinc/65/42/12/547654212.db2.gz FHMCWVPBMWGPFP-SNVBAGLBSA-N -1 1 352.236 2.157 20 0 FEADMM Cc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC000183419568 547655658 /nfs/dbraw/zinc/65/56/58/547655658.db2.gz XKKXOGADIHAKEO-SNVBAGLBSA-N -1 1 359.821 2.223 20 0 FEADMM COc1c(Br)c(C)sc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183430765 547657589 /nfs/dbraw/zinc/65/75/89/547657589.db2.gz YYRYPEJXCRZUJA-ZCFIWIBFSA-N -1 1 374.264 2.216 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000184915561 547898741 /nfs/dbraw/zinc/89/87/41/547898741.db2.gz DDIKDPGDLPJYTA-QWHCGFSZSA-N -1 1 354.472 2.092 20 0 FEADMM Cc1oc(C)c(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c1C(=O)[O-] ZINC000185124487 547936845 /nfs/dbraw/zinc/93/68/45/547936845.db2.gz FMZOCCBMSFNXAJ-AWEZNQCLSA-N -1 1 370.471 2.234 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc(Cl)c1[O-] ZINC000186783200 548192810 /nfs/dbraw/zinc/19/28/10/548192810.db2.gz JDCKQUDWPIGFMU-ZDUSSCGKSA-N -1 1 356.850 2.285 20 0 FEADMM O=C(CN1CCC(O)(Cc2cccc(F)c2)CC1)[N-]OCc1ccccc1 ZINC000186947918 548226735 /nfs/dbraw/zinc/22/67/35/548226735.db2.gz ULRILMRULRTUMX-UHFFFAOYSA-N -1 1 372.440 2.443 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000192702073 548371436 /nfs/dbraw/zinc/37/14/36/548371436.db2.gz IVJBWGNZRVENCW-UHFFFAOYSA-N -1 1 374.340 2.240 20 0 FEADMM CCCN(C(=O)CNC(=O)c1ncccc1[O-])[C@@H]1CCc2ccccc21 ZINC000486498581 561349135 /nfs/dbraw/zinc/34/91/35/561349135.db2.gz PLWONXZZGOBHKK-MRXNPFEDSA-N -1 1 353.422 2.443 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccc(C)o1 ZINC000194790448 548531651 /nfs/dbraw/zinc/53/16/51/548531651.db2.gz LVXUHTKAKIIHPM-LLVKDONJSA-N -1 1 353.425 2.259 20 0 FEADMM CN(C)C(=O)Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000195084264 548574834 /nfs/dbraw/zinc/57/48/34/548574834.db2.gz HWRQWBCMIBVIRQ-UHFFFAOYSA-N -1 1 350.469 2.439 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c(F)c1 ZINC000195171117 548590386 /nfs/dbraw/zinc/59/03/86/548590386.db2.gz GACZVYGCDFBPHV-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c(F)c1 ZINC000195171117 548590392 /nfs/dbraw/zinc/59/03/92/548590392.db2.gz GACZVYGCDFBPHV-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c(F)c1 ZINC000195171117 548590396 /nfs/dbraw/zinc/59/03/96/548590396.db2.gz GACZVYGCDFBPHV-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc21 ZINC000195328323 548623700 /nfs/dbraw/zinc/62/37/00/548623700.db2.gz KQSLJJRAUGZGLG-UHFFFAOYSA-N -1 1 370.434 2.376 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2sc([C@H](C)OC)nc2C)s1 ZINC000487019190 561361603 /nfs/dbraw/zinc/36/16/03/561361603.db2.gz FYXSJMOIBMPTRL-QMMMGPOBSA-N -1 1 370.456 2.368 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000487038463 561361975 /nfs/dbraw/zinc/36/19/75/561361975.db2.gz RYXWFOSZKJIKBZ-UHFFFAOYSA-N -1 1 364.413 2.062 20 0 FEADMM CO[C@@H]1CC[C@@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000231805691 548763611 /nfs/dbraw/zinc/76/36/11/548763611.db2.gz ILXAZBSXBFPKSI-NXEZZACHSA-N -1 1 361.179 2.294 20 0 FEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1ncc[nH]1 ZINC000235191598 548765940 /nfs/dbraw/zinc/76/59/40/548765940.db2.gz PUZKSTHARLUOOU-SSDOTTSWSA-N -1 1 357.151 2.211 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000243765279 548888937 /nfs/dbraw/zinc/88/89/37/548888937.db2.gz QEBQIGKGEDEODO-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000246209829 549079518 /nfs/dbraw/zinc/07/95/18/549079518.db2.gz RLQQYBYCBDYBOF-QWHCGFSZSA-N -1 1 372.462 2.011 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCN1c1ccccc1F ZINC000489763422 561418544 /nfs/dbraw/zinc/41/85/44/561418544.db2.gz FRDSCXQLGIACBX-GFCCVEGCSA-N -1 1 370.352 2.188 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000490013193 561424648 /nfs/dbraw/zinc/42/46/48/561424648.db2.gz ZYKYXFNVUGGWMF-APPDUMDISA-N -1 1 357.385 2.096 20 0 FEADMM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)C2 ZINC000262058294 549784465 /nfs/dbraw/zinc/78/44/65/549784465.db2.gz BGBSUDXTQJQWID-BLLLJJGKSA-N -1 1 359.394 2.370 20 0 FEADMM CCC[C@H](NCC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C(=O)[O-] ZINC000262284707 549806348 /nfs/dbraw/zinc/80/63/48/549806348.db2.gz LWRVDNJKZLMOCC-HOTGVXAUSA-N -1 1 364.442 2.210 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)n[nH]2)cc1OC ZINC000263203910 549885683 /nfs/dbraw/zinc/88/56/83/549885683.db2.gz MTLFZKNFARJMHP-AAEUAGOBSA-N -1 1 373.409 2.419 20 0 FEADMM O=C([O-])[C@H]1CCCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000263444017 549901579 /nfs/dbraw/zinc/90/15/79/549901579.db2.gz XJJSTUADISQGGM-CQSZACIVSA-N -1 1 365.231 2.469 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(CC(F)(F)F)c1 ZINC000491090671 561442906 /nfs/dbraw/zinc/44/29/06/561442906.db2.gz HJFGGRZBHLSXTH-UHFFFAOYSA-N -1 1 353.300 2.261 20 0 FEADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cn(C)cn3)n2)cc1 ZINC000268516601 550080449 /nfs/dbraw/zinc/08/04/49/550080449.db2.gz SVZXXBROUIKXDI-LLVKDONJSA-N -1 1 361.427 2.072 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCc2ccc(Cl)cc2Cl)n1 ZINC000492253940 561450487 /nfs/dbraw/zinc/45/04/87/561450487.db2.gz SJANHHIZAACZMF-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCc2ccc(Cl)cc2Cl)[n-]1 ZINC000492253940 561450488 /nfs/dbraw/zinc/45/04/88/561450488.db2.gz SJANHHIZAACZMF-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc3c2oc(=O)n3C)c(=O)[n-]1 ZINC000269867313 550232137 /nfs/dbraw/zinc/23/21/37/550232137.db2.gz QLXVVPSWTRVGFN-UHFFFAOYSA-N -1 1 374.422 2.229 20 0 FEADMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccsc2C(=O)OC)s1 ZINC000270683147 550296376 /nfs/dbraw/zinc/29/63/76/550296376.db2.gz VOEFOGYAQSYCOF-SNVBAGLBSA-N -1 1 369.468 2.203 20 0 FEADMM CCC1(CO)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1 ZINC000270732696 550301456 /nfs/dbraw/zinc/30/14/56/550301456.db2.gz FPMNJVAUTWLVBA-UHFFFAOYSA-N -1 1 353.488 2.156 20 0 FEADMM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272263062 550431975 /nfs/dbraw/zinc/43/19/75/550431975.db2.gz VHEAAVUJEXOCCD-IBGZPJMESA-N -1 1 359.300 2.214 20 0 FEADMM C[C@@H](O)C(C)(C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000272735452 550467924 /nfs/dbraw/zinc/46/79/24/550467924.db2.gz BIIKDSMIACKXAE-MRVPVSSYSA-N -1 1 364.320 2.392 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000273981669 550517988 /nfs/dbraw/zinc/51/79/88/550517988.db2.gz UUZDRCVJRPWGEV-ZJUUUORDSA-N -1 1 361.847 2.092 20 0 FEADMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000274256785 550530109 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1 364.833 2.233 20 0 FEADMM Cc1ccc2[nH]cc(C(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)c(=O)c2c1 ZINC000294462639 552908015 /nfs/dbraw/zinc/90/80/15/552908015.db2.gz IBJDMLMRVMSVRV-CYBMUJFWSA-N -1 1 362.451 2.146 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1 ZINC000501806375 561605698 /nfs/dbraw/zinc/60/56/98/561605698.db2.gz YQEGCYNIUJDRJG-UHFFFAOYSA-N -1 1 363.395 2.155 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000501808688 561605916 /nfs/dbraw/zinc/60/59/16/561605916.db2.gz PRQXXSVAAVOJCM-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@]2(O)CCCC2(C)C)c(=O)[n-]1 ZINC000294597231 552919007 /nfs/dbraw/zinc/91/90/07/552919007.db2.gz ZFHMSSKFZZHXLR-QGZVFWFLSA-N -1 1 353.488 2.203 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H](O)CC1 ZINC000294770179 552932807 /nfs/dbraw/zinc/93/28/07/552932807.db2.gz JQDQXJNWEJNZAB-KRWDZBQOSA-N -1 1 374.462 2.474 20 0 FEADMM O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295884901 553071505 /nfs/dbraw/zinc/07/15/05/553071505.db2.gz HOOCLWCIPZJCTK-CQSZACIVSA-N -1 1 373.482 2.072 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)CC2)c1ccccc1 ZINC000296034813 553093512 /nfs/dbraw/zinc/09/35/12/553093512.db2.gz SGLNSJDGCZOSSJ-GOSISDBHSA-N -1 1 374.462 2.444 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1F ZINC000298824755 553477498 /nfs/dbraw/zinc/47/74/98/553477498.db2.gz RAFJOAIZJOKKST-VIFPVBQESA-N -1 1 358.332 2.127 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000298882621 553484899 /nfs/dbraw/zinc/48/48/99/553484899.db2.gz HQJIQKBSDUWAFF-CQSZACIVSA-N -1 1 372.425 2.073 20 0 FEADMM O=C(c1c[nH]cc1-c1ccccc1F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298907502 553488099 /nfs/dbraw/zinc/48/80/99/553488099.db2.gz LLUDIXBELDGPNF-NSHDSACASA-N -1 1 355.373 2.252 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H]1CCCCO1 ZINC000299073618 553511701 /nfs/dbraw/zinc/51/17/01/553511701.db2.gz DURJSZDUCRYGBJ-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000299296032 553543801 /nfs/dbraw/zinc/54/38/01/553543801.db2.gz RDTOCEHDFUEMJS-UHFFFAOYSA-N -1 1 374.824 2.448 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c1 ZINC000504063498 561652576 /nfs/dbraw/zinc/65/25/76/561652576.db2.gz XFGLITIUFABALD-UHFFFAOYSA-N -1 1 354.359 2.299 20 0 FEADMM Cc1cnc(N)c(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000504688502 561661407 /nfs/dbraw/zinc/66/14/07/561661407.db2.gz ZAYDDNMMCPHNKO-SNVBAGLBSA-N -1 1 367.452 2.338 20 0 FEADMM COc1ncnc2c1CN(c1ccc(-c3nc(C)c(C)c(=O)[n-]3)cn1)CC2 ZINC000301429214 553650801 /nfs/dbraw/zinc/65/08/01/553650801.db2.gz UYLLEZZCXRGZBO-UHFFFAOYSA-N -1 1 364.409 2.222 20 0 FEADMM CN(c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)[C@@H]1CCOC1 ZINC000301587895 553663846 /nfs/dbraw/zinc/66/38/46/553663846.db2.gz RXYIJUIJSMGLOI-GFCCVEGCSA-N -1 1 369.393 2.386 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(OC)c1 ZINC000324006571 553771181 /nfs/dbraw/zinc/77/11/81/553771181.db2.gz HTMJXIPQTGTXNO-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000324489895 553772685 /nfs/dbraw/zinc/77/26/85/553772685.db2.gz OGNLRYKBGXUHMA-OUCADQQQSA-N -1 1 357.476 2.326 20 0 FEADMM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000324586092 553772716 /nfs/dbraw/zinc/77/27/16/553772716.db2.gz CJSLFBJWTFEPNT-ZDUSSCGKSA-N -1 1 359.325 2.078 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000325222069 553775326 /nfs/dbraw/zinc/77/53/26/553775326.db2.gz QWIQTJGSJBKNOH-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c(Cl)c1 ZINC000326570369 553781726 /nfs/dbraw/zinc/78/17/26/553781726.db2.gz YKNUEXMZUZOOLR-UHFFFAOYSA-N -1 1 368.754 2.274 20 0 FEADMM CCc1[nH]c(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c(C)c1C(=O)OC ZINC000505749327 561679302 /nfs/dbraw/zinc/67/93/02/561679302.db2.gz IKZJUTPKECXTEW-UHFFFAOYSA-N -1 1 360.366 2.417 20 0 FEADMM Cn1ccc(=NC(=O)c2cnc3c(OC(F)(F)F)cccc3c2[O-])[nH]1 ZINC000605399260 553981682 /nfs/dbraw/zinc/98/16/82/553981682.db2.gz VVMHJAOSDSDQFN-UHFFFAOYSA-N -1 1 352.272 2.413 20 0 FEADMM Cc1ccc(F)c(N2CCC[C@H](N3CCC(c4n[nH]c(=O)[n-]4)CC3)C2=O)c1 ZINC000329657240 553983564 /nfs/dbraw/zinc/98/35/64/553983564.db2.gz NCNDNHPTZUMSOQ-HNNXBMFYSA-N -1 1 373.432 2.333 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)ccc1F ZINC000507552734 561732958 /nfs/dbraw/zinc/73/29/58/561732958.db2.gz QIHMJWOAPRWPQM-UHFFFAOYSA-N -1 1 362.382 2.415 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)c(C(C)=O)c2)ccc1[O-] ZINC000507645182 561736664 /nfs/dbraw/zinc/73/66/64/561736664.db2.gz PTBOOWMBDBQZIB-UHFFFAOYSA-N -1 1 366.370 2.493 20 0 FEADMM Cc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000607030033 554113688 /nfs/dbraw/zinc/11/36/88/554113688.db2.gz IZVAHCGDIKKBMJ-UHFFFAOYSA-N -1 1 362.349 2.182 20 0 FEADMM Cc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000607030033 554113689 /nfs/dbraw/zinc/11/36/89/554113689.db2.gz IZVAHCGDIKKBMJ-UHFFFAOYSA-N -1 1 362.349 2.182 20 0 FEADMM CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000330646982 554150264 /nfs/dbraw/zinc/15/02/64/554150264.db2.gz ZNOCWCPDXLKKEH-GXTWGEPZSA-N -1 1 372.487 2.290 20 0 FEADMM CC(C)[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N1CCOCC1 ZINC000330802440 554173599 /nfs/dbraw/zinc/17/35/99/554173599.db2.gz FOWZWEUKKDQPPO-LLVKDONJSA-N -1 1 365.377 2.177 20 0 FEADMM COc1ccc(N(C(=O)CNC(=O)c2ncccc2[O-])[C@@H](C)C2CC2)cc1 ZINC000508371518 561760368 /nfs/dbraw/zinc/76/03/68/561760368.db2.gz YWLPIMMIBYAFHY-ZDUSSCGKSA-N -1 1 369.421 2.357 20 0 FEADMM Cc1ccc(CN(C(=O)CNC(=O)c2ncccc2[O-])C2CC2)cc1C ZINC000508382860 561760687 /nfs/dbraw/zinc/76/06/87/561760687.db2.gz NXNUTAJBPPUXDA-UHFFFAOYSA-N -1 1 353.422 2.325 20 0 FEADMM CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000331190670 554228092 /nfs/dbraw/zinc/22/80/92/554228092.db2.gz VEFOWMPBAOAJTM-GXTWGEPZSA-N -1 1 356.444 2.210 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](C)C[C@H]2C(N)=O)c(=O)[n-]1 ZINC000331198517 554229423 /nfs/dbraw/zinc/22/94/23/554229423.db2.gz XSLZBADHGMDPHO-CABZTGNLSA-N -1 1 352.460 2.307 20 0 FEADMM COC[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508879999 561776436 /nfs/dbraw/zinc/77/64/36/561776436.db2.gz SVPKKCVQIIYBTM-QMMMGPOBSA-N -1 1 370.254 2.341 20 0 FEADMM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCN(C)[C@@H](C)[C@H]3C)s2)cc1 ZINC000331580342 554288604 /nfs/dbraw/zinc/28/86/04/554288604.db2.gz NGXSJXKDNTYTQZ-UONOGXRCSA-N -1 1 359.499 2.994 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2C)c1 ZINC000509225948 561790996 /nfs/dbraw/zinc/79/09/96/561790996.db2.gz UIJMFOCHWLUTCM-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM CO[C@@]1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806938 554323163 /nfs/dbraw/zinc/32/31/63/554323163.db2.gz TWZHMZIEYZQXHR-SJCJKPOMSA-N -1 1 372.487 2.290 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](O)[C@@H](C)C3)cc2)cc1 ZINC000509310071 561794587 /nfs/dbraw/zinc/79/45/87/561794587.db2.gz JVGJORHVWZALKM-KSSFIOAISA-N -1 1 374.462 2.249 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCc2cc(Br)ccc21 ZINC000331965901 554354247 /nfs/dbraw/zinc/35/42/47/554354247.db2.gz KFAQHQSBBYNXIV-UHFFFAOYSA-N -1 1 372.244 2.469 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c([O-])c1 ZINC000332155882 554391794 /nfs/dbraw/zinc/39/17/94/554391794.db2.gz XFMPFDZBOITUJJ-UHFFFAOYSA-N -1 1 357.385 2.141 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2C[C@H]2c2cc(OC)ccc2OC)n1 ZINC000510012039 561821730 /nfs/dbraw/zinc/82/17/30/561821730.db2.gz FMIYQSNTIZYGJT-AAEUAGOBSA-N -1 1 359.382 2.346 20 0 FEADMM O=C(c1cc(Br)ccc1O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332385722 554436126 /nfs/dbraw/zinc/43/61/26/554436126.db2.gz ZQQKVSPRBFWTNV-MRVPVSSYSA-N -1 1 368.187 2.263 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(F)c(C(F)(F)F)c1 ZINC000509916318 561818494 /nfs/dbraw/zinc/81/84/94/561818494.db2.gz AAXFHXVEONNKSH-UHFFFAOYSA-N -1 1 357.263 2.314 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(OC2CCCC2)c1 ZINC000509963874 561820085 /nfs/dbraw/zinc/82/00/85/561820085.db2.gz PFMSZBYYQRJVOS-UHFFFAOYSA-N -1 1 355.394 2.477 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](O)C[C@@H]3C)cc2)cc1 ZINC000332443318 554447177 /nfs/dbraw/zinc/44/71/77/554447177.db2.gz BQQPMASSOHLCGM-YOEHRIQHSA-N -1 1 374.462 2.391 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1cscn1 ZINC000509973927 561820562 /nfs/dbraw/zinc/82/05/62/561820562.db2.gz XLWMHRQXHZRGJW-UHFFFAOYSA-N -1 1 355.423 2.258 20 0 FEADMM Cc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1Br ZINC000510001181 561821490 /nfs/dbraw/zinc/82/14/90/561821490.db2.gz ZOPLEOSWIRANSE-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)OC ZINC000510000536 561821554 /nfs/dbraw/zinc/82/15/54/561821554.db2.gz ATFWOQIWHIWWBL-YUMQZZPRSA-N -1 1 370.254 2.482 20 0 FEADMM C[C@@H]1CN(C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000332519820 554461053 /nfs/dbraw/zinc/46/10/53/554461053.db2.gz JSCNTEZHWGCPOK-OAHLLOKOSA-N -1 1 373.478 2.264 20 0 FEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1)OCO2 ZINC000510140090 561826185 /nfs/dbraw/zinc/82/61/85/561826185.db2.gz OKPJJUWXMHYXKC-UHFFFAOYSA-N -1 1 362.407 2.226 20 0 FEADMM Cc1cc2cccnc2c(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000510269924 561830271 /nfs/dbraw/zinc/83/02/71/561830271.db2.gz MIMINHBKEMVHPG-UHFFFAOYSA-N -1 1 369.454 2.331 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(c3cccc(OC)c3)CC2)o1 ZINC000510397461 561833411 /nfs/dbraw/zinc/83/34/11/561833411.db2.gz WLFDGRSAHOKKPK-UHFFFAOYSA-N -1 1 365.407 2.433 20 0 FEADMM O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1csc(=NC2CC2)[n-]1 ZINC000333307935 554601122 /nfs/dbraw/zinc/60/11/22/554601122.db2.gz IQPRBBBXDRZIPQ-LKFCYVNXSA-N -1 1 363.405 2.931 20 0 FEADMM Cc1nnc([C@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)[nH]1 ZINC000333996732 554666378 /nfs/dbraw/zinc/66/63/78/554666378.db2.gz OGJMZQBHJKJOOO-VIFPVBQESA-N -1 1 351.204 2.211 20 0 FEADMM C[C@@H]1C(=O)N(c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C(=O)N1C ZINC000348645912 554692835 /nfs/dbraw/zinc/69/28/35/554692835.db2.gz NIYFSICFUUORIZ-GFCCVEGCSA-N -1 1 359.407 2.274 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cccn2)cc1 ZINC000511098052 561856792 /nfs/dbraw/zinc/85/67/92/561856792.db2.gz ZIBLXBKYUOOTMS-UHFFFAOYSA-N -1 1 373.390 2.380 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccnc3OC(C)C)no2)co1 ZINC000349771700 554742176 /nfs/dbraw/zinc/74/21/76/554742176.db2.gz MXUYLOLFOMQYIY-UHFFFAOYSA-N -1 1 364.383 2.087 20 0 FEADMM CO[C@@](C)(c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1)C1CC1 ZINC000350452558 554789953 /nfs/dbraw/zinc/78/99/53/554789953.db2.gz KCIFBLXRMIDPFU-LKFCYVNXSA-N -1 1 357.457 2.442 20 0 FEADMM COc1cc(-c2noc(Cn3ccnc3)n2)cc(Br)c1[O-] ZINC000350591961 554800872 /nfs/dbraw/zinc/80/08/72/554800872.db2.gz XXFMCQHBNBVFEL-UHFFFAOYSA-N -1 1 351.160 2.458 20 0 FEADMM Cc1c([C@@H]2[C@@H](c3nc(-c4ccc([O-])c(F)c4)no3)CC(=O)N2C)cnn1C ZINC000350614917 554802566 /nfs/dbraw/zinc/80/25/66/554802566.db2.gz YTLUGADGBGMPMQ-ZBEGNZNMSA-N -1 1 371.372 2.310 20 0 FEADMM Cc1oc(-c2nc(-c3ccc([O-])cc3F)no2)cc1S(=O)(=O)N(C)C ZINC000350838037 554817036 /nfs/dbraw/zinc/81/70/36/554817036.db2.gz INPLNYKVPSDZSS-UHFFFAOYSA-N -1 1 367.358 2.400 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc([C@H]3CCCOC3)no2)o1 ZINC000350848576 554817923 /nfs/dbraw/zinc/81/79/23/554817923.db2.gz HUFKXAXIHRLTTC-JTQLQIEISA-N -1 1 355.416 2.300 20 0 FEADMM CCO[C@H](c1noc(-c2coc(S(=O)(=O)[N-]C)c2)n1)c1ccccc1 ZINC000351016728 554829697 /nfs/dbraw/zinc/82/96/97/554829697.db2.gz SZLGZSROUHGPTE-AWEZNQCLSA-N -1 1 363.395 2.364 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@@H](n3cc4ccccc4n3)C1)c2=O ZINC000360023990 554860305 /nfs/dbraw/zinc/86/03/05/554860305.db2.gz TZHWOARGFDABMC-CYBMUJFWSA-N -1 1 362.393 2.111 20 0 FEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362132227 554951643 /nfs/dbraw/zinc/95/16/43/554951643.db2.gz SRENQFIEJJIPMY-MNOVXSKESA-N -1 1 369.347 2.392 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000362272284 554959272 /nfs/dbraw/zinc/95/92/72/554959272.db2.gz DBQZWAIBGIBXQN-WBVHZDCISA-N -1 1 370.453 2.415 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(n2cncn2)CC1 ZINC000362994678 555006340 /nfs/dbraw/zinc/00/63/40/555006340.db2.gz OVSSHPSQOREPJV-UHFFFAOYSA-N -1 1 351.204 2.224 20 0 FEADMM O=C(c1cc(Br)ccc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000363165789 555043934 /nfs/dbraw/zinc/04/39/34/555043934.db2.gz JRZLSPTYBVCHJZ-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM COCCN(CCc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000511966891 561887171 /nfs/dbraw/zinc/88/71/71/561887171.db2.gz DULJKOSRCIVTNY-UHFFFAOYSA-N -1 1 354.410 2.005 20 0 FEADMM CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccccc2O)CC1 ZINC000363627154 555150073 /nfs/dbraw/zinc/15/00/73/555150073.db2.gz MPOQLNLDMXLQJB-UHFFFAOYSA-N -1 1 353.422 2.422 20 0 FEADMM COc1ccccc1OC[C@H](C)CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512015364 561889027 /nfs/dbraw/zinc/88/90/27/561889027.db2.gz CFXIMCMNCKEQNX-GFCCVEGCSA-N -1 1 370.409 2.127 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCCN(c4nccs4)CC3)cnc2n1 ZINC000363661954 555158613 /nfs/dbraw/zinc/15/86/13/555158613.db2.gz UCOCGCOVWZNRAY-UHFFFAOYSA-N -1 1 369.450 2.453 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCN(c3nccs3)CC1)c2=O ZINC000363661954 555158615 /nfs/dbraw/zinc/15/86/15/555158615.db2.gz UCOCGCOVWZNRAY-UHFFFAOYSA-N -1 1 369.450 2.453 20 0 FEADMM Cc1cccc2oc(CCNC(=O)c3c[n-]c4c(cnn4C)c3=O)nc21 ZINC000512088110 561891750 /nfs/dbraw/zinc/89/17/50/561891750.db2.gz JETPGWSSDIJDIH-UHFFFAOYSA-N -1 1 351.366 2.096 20 0 FEADMM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000363928322 555216024 /nfs/dbraw/zinc/21/60/24/555216024.db2.gz NEUHBIKWZNDCDX-VIFPVBQESA-N -1 1 361.456 2.218 20 0 FEADMM C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000512197256 561895718 /nfs/dbraw/zinc/89/57/18/561895718.db2.gz OWURARWQBPAWJC-VGTOOOLASA-N -1 1 352.394 2.357 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)cc1 ZINC000364032391 555236781 /nfs/dbraw/zinc/23/67/81/555236781.db2.gz IKASNUHVEWKTAR-UHFFFAOYSA-N -1 1 360.395 2.172 20 0 FEADMM CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1C(=O)[O-] ZINC000364119196 555253573 /nfs/dbraw/zinc/25/35/73/555253573.db2.gz GCOXDSCQWJXQFN-AWEZNQCLSA-N -1 1 366.483 2.242 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)s1 ZINC000364124493 555254694 /nfs/dbraw/zinc/25/46/94/555254694.db2.gz ZJDPGWOTXCUIHO-CYBMUJFWSA-N -1 1 372.512 2.014 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)sc1C(=O)[O-] ZINC000364124053 555254884 /nfs/dbraw/zinc/25/48/84/555254884.db2.gz XVTMTQLPXWWXEM-ZDUSSCGKSA-N -1 1 372.512 2.394 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1Br ZINC000616012814 555263569 /nfs/dbraw/zinc/26/35/69/555263569.db2.gz NDZGECCSEZAUHY-LLVKDONJSA-N -1 1 369.219 2.467 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(-c4nc[nH]n4)c3)ccc2o1 ZINC000364242821 555277106 /nfs/dbraw/zinc/27/71/06/555277106.db2.gz JOOBOOJOKUUGBX-UHFFFAOYSA-N -1 1 368.374 2.379 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(-n3nnnc3C)c2)cc1 ZINC000364425041 555311330 /nfs/dbraw/zinc/31/13/30/555311330.db2.gz VPAKOSJMGBOFCQ-UHFFFAOYSA-N -1 1 371.422 2.283 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)CN(C)C(=O)[C@H](C)n3cccn3)[nH][n-]2)s1 ZINC000616810989 555341211 /nfs/dbraw/zinc/34/12/11/555341211.db2.gz DWVAEQFQYLIXDF-LBPRGKRZSA-N -1 1 372.454 2.301 20 0 FEADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000364801636 555407157 /nfs/dbraw/zinc/40/71/57/555407157.db2.gz DJLMJFMDNLDBBT-TUKIKUTGSA-N -1 1 363.439 2.133 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccccc3OC)[nH]c21 ZINC000512936314 561920337 /nfs/dbraw/zinc/92/03/37/561920337.db2.gz UYZTYHPFRJIUAC-UHFFFAOYSA-N -1 1 361.379 2.159 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)o1 ZINC000365054483 555474570 /nfs/dbraw/zinc/47/45/70/555474570.db2.gz MMJHYDIJOOIWCL-GFCCVEGCSA-N -1 1 351.380 2.177 20 0 FEADMM CO[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000365072394 555478797 /nfs/dbraw/zinc/47/87/97/555478797.db2.gz RGTWTZUNHMNRRN-CABCVRRESA-N -1 1 356.426 2.169 20 0 FEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000513058225 561923807 /nfs/dbraw/zinc/92/38/07/561923807.db2.gz KQMGYZFEILKKEU-UHFFFAOYSA-N -1 1 362.407 2.308 20 0 FEADMM CCc1csc(CC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)n1 ZINC000513191314 561928587 /nfs/dbraw/zinc/92/85/87/561928587.db2.gz JMEBSHFBEJRWFS-UHFFFAOYSA-N -1 1 369.468 2.267 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1Oc2ccccc2[C@H]1C ZINC000365840132 555679811 /nfs/dbraw/zinc/67/98/11/555679811.db2.gz XFGOJALCNLHDIA-PIGZYNQJSA-N -1 1 366.421 2.275 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1=O ZINC000513477454 561939837 /nfs/dbraw/zinc/93/98/37/561939837.db2.gz SFQVXJCPDDERDX-YVEFUNNKSA-N -1 1 357.385 2.408 20 0 FEADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CN(C)C(=O)c4ccccc43)n2)o1 ZINC000365985714 555717947 /nfs/dbraw/zinc/71/79/47/555717947.db2.gz CZEUYXUZWWLGMG-ZDUSSCGKSA-N -1 1 351.366 2.181 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000366254041 555793925 /nfs/dbraw/zinc/79/39/25/555793925.db2.gz GILHNSQOHPOUHL-KQXIARHKSA-N -1 1 372.391 2.134 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC000513846422 561952394 /nfs/dbraw/zinc/95/23/94/561952394.db2.gz OAEPWIOFXMMHDP-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000513849990 561952464 /nfs/dbraw/zinc/95/24/64/561952464.db2.gz KTOPROZZYOIROY-LYOVBCGYSA-N -1 1 365.407 2.298 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](CO)CC2CCCC2)c(=O)[n-]1 ZINC000513921810 561954867 /nfs/dbraw/zinc/95/48/67/561954867.db2.gz IFQWAKDPQFNAPK-CYBMUJFWSA-N -1 1 353.488 2.203 20 0 FEADMM O=C(c1cccc(-c2c(F)cccc2F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000366754565 555925858 /nfs/dbraw/zinc/92/58/58/555925858.db2.gz GGPBEADRSFWWGJ-OAHLLOKOSA-N -1 1 371.347 2.359 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(C(=O)N(C)C)cc3)cnc2n1 ZINC000514580446 561967598 /nfs/dbraw/zinc/96/75/98/561967598.db2.gz MPMOJYKLGHKPPE-UHFFFAOYSA-N -1 1 364.405 2.276 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc(C(=O)N(C)C)cc1)c2=O ZINC000514580446 561967600 /nfs/dbraw/zinc/96/76/00/561967600.db2.gz MPMOJYKLGHKPPE-UHFFFAOYSA-N -1 1 364.405 2.276 20 0 FEADMM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000367441827 556049886 /nfs/dbraw/zinc/04/98/86/556049886.db2.gz AKZWUTOMESYBFH-QWHCGFSZSA-N -1 1 366.389 2.041 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@H](C(=O)N4CCCC4)C3)nc2)[n-]c(=O)c1C ZINC000367900432 556168003 /nfs/dbraw/zinc/16/80/03/556168003.db2.gz AZUIWHZMFJHDST-INIZCTEOSA-N -1 1 367.453 2.310 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cscc3C(F)(F)F)CC2)s[n-]1 ZINC000621906703 556182005 /nfs/dbraw/zinc/18/20/05/556182005.db2.gz WEKPITDBACUNDY-UHFFFAOYSA-N -1 1 363.390 2.163 20 0 FEADMM Cc1ccccc1C1(O)CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000367981069 556187334 /nfs/dbraw/zinc/18/73/34/556187334.db2.gz IPNJNQNYTRSMJE-UHFFFAOYSA-N -1 1 366.421 2.106 20 0 FEADMM Cc1cc(C=C2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)no1 ZINC000367992157 556189760 /nfs/dbraw/zinc/18/97/60/556189760.db2.gz YEHIPBXRUCRJHR-UHFFFAOYSA-N -1 1 353.382 2.290 20 0 FEADMM COc1cc(NC(=O)CSc2ncc(C)c(=O)[n-]2)cc(OC)c1OC ZINC000515073560 561995375 /nfs/dbraw/zinc/99/53/75/561995375.db2.gz PDBJNLZCCPZIJF-UHFFFAOYSA-N -1 1 365.411 2.247 20 0 FEADMM O=S(=O)([N-]CCn1cnnc1C1CC1)c1cc2cc(F)ccc2o1 ZINC000515126879 561997018 /nfs/dbraw/zinc/99/70/18/561997018.db2.gz DUYHBGJYRZZLNW-UHFFFAOYSA-N -1 1 350.375 2.019 20 0 FEADMM C[C@@]1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)OCCc2sccc21 ZINC000368354601 556285352 /nfs/dbraw/zinc/28/53/52/556285352.db2.gz JKLHDANZYDJQCP-INIZCTEOSA-N -1 1 360.464 2.297 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCOC4(CCOCC4)CC3)cnc2n1 ZINC000368501894 556328414 /nfs/dbraw/zinc/32/84/14/556328414.db2.gz KFIWQMNILQSXPS-UHFFFAOYSA-N -1 1 357.410 2.056 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCOC3(CCOCC3)CC1)c2=O ZINC000368501894 556328415 /nfs/dbraw/zinc/32/84/15/556328415.db2.gz KFIWQMNILQSXPS-UHFFFAOYSA-N -1 1 357.410 2.056 20 0 FEADMM Cc1nc(CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cs1 ZINC000368503903 556328891 /nfs/dbraw/zinc/32/88/91/556328891.db2.gz RYAGDXCPAPIDNQ-ZDUSSCGKSA-N -1 1 366.809 2.205 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)cc1C(=O)[O-] ZINC000368654404 556374995 /nfs/dbraw/zinc/37/49/95/556374995.db2.gz XWNHBTAIKNRTMX-OAHLLOKOSA-N -1 1 363.391 2.310 20 0 FEADMM O=C(Nc1cnccn1)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000368759141 556406932 /nfs/dbraw/zinc/40/69/32/556406932.db2.gz SZVBFFURYKIKNT-UHFFFAOYSA-N -1 1 360.801 2.327 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCc3nnnn3CC2)c1 ZINC000515490499 562012664 /nfs/dbraw/zinc/01/26/64/562012664.db2.gz NHHDHZMOVWDZNQ-VIFPVBQESA-N -1 1 366.219 2.041 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cs1 ZINC000515695785 562019606 /nfs/dbraw/zinc/01/96/06/562019606.db2.gz VTKDOLWRHBNGLY-UHFFFAOYSA-N -1 1 366.420 2.374 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(=O)[n-]1 ZINC000369589820 556640594 /nfs/dbraw/zinc/64/05/94/556640594.db2.gz AFSPYINABNQFCN-NWANDNLSSA-N -1 1 365.499 2.417 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cnc3c(c2)COCC3)c1 ZINC000370052409 556768090 /nfs/dbraw/zinc/76/80/90/556768090.db2.gz HBRNZXGPDHTFBS-UHFFFAOYSA-N -1 1 361.423 2.087 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1F ZINC000516520817 562045919 /nfs/dbraw/zinc/04/59/19/562045919.db2.gz SZVWDOHNAQTTFA-UHFFFAOYSA-N -1 1 369.370 2.271 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)c1 ZINC000370129538 556788211 /nfs/dbraw/zinc/78/82/11/556788211.db2.gz AAAZFGYKTAIWMP-UHFFFAOYSA-N -1 1 374.422 2.300 20 0 FEADMM CC(C)(C)c1ccc(SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370859999 556993505 /nfs/dbraw/zinc/99/35/05/556993505.db2.gz IQYJKVOWQZAUAU-AWEZNQCLSA-N -1 1 361.471 2.189 20 0 FEADMM C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@H](c5nn[n-]n5)C4)cc3c2C1 ZINC000370871009 556996787 /nfs/dbraw/zinc/99/67/87/556996787.db2.gz XFXHBRYCHWAEQX-DIFFPNOSSA-N -1 1 366.425 2.020 20 0 FEADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3ncccc3[O-])CC2)c1 ZINC000516997611 562069959 /nfs/dbraw/zinc/06/99/59/562069959.db2.gz IPFSNZKMWWLUPD-INIZCTEOSA-N -1 1 355.438 2.207 20 0 FEADMM COC(=O)c1cc(CNC(=O)c2c(F)ccc([O-])c2F)ccc1OC ZINC000517047431 562073260 /nfs/dbraw/zinc/07/32/60/562073260.db2.gz VUXNQWCLTCXUSV-UHFFFAOYSA-N -1 1 351.305 2.396 20 0 FEADMM O=C(CN1CCC(CO)(Nc2ccccc2)CC1)[N-]OCc1ccccc1 ZINC000371392852 557172309 /nfs/dbraw/zinc/17/23/09/557172309.db2.gz LNJICPGZBLCASI-UHFFFAOYSA-N -1 1 369.465 2.173 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)sc1C ZINC000517476662 562091048 /nfs/dbraw/zinc/09/10/48/562091048.db2.gz MZHPVWXBUHFQGJ-GDBMZVCRSA-N -1 1 370.471 2.344 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2)sc1C ZINC000518136350 562105158 /nfs/dbraw/zinc/10/51/58/562105158.db2.gz ZRXPKQMAUPBMDC-CYBMUJFWSA-N -1 1 355.460 2.456 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000517924668 562100752 /nfs/dbraw/zinc/10/07/52/562100752.db2.gz CNOPYFMMSMTDCG-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c1Cl ZINC000372018930 557358006 /nfs/dbraw/zinc/35/80/06/557358006.db2.gz MTWQSDUJWDHGEN-UHFFFAOYSA-N -1 1 352.803 2.207 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)c2cccc(Br)c2[O-])C1 ZINC000519311237 562129083 /nfs/dbraw/zinc/12/90/83/562129083.db2.gz VRMPQPUWAGKRSZ-GFCCVEGCSA-N -1 1 371.275 2.241 20 0 FEADMM CCc1nc(SCC(=O)NCCN2CCc3ccccc32)[n-]c(=O)c1C ZINC000519426922 562131618 /nfs/dbraw/zinc/13/16/18/562131618.db2.gz SBOJCSVXSZOBNT-UHFFFAOYSA-N -1 1 372.494 2.324 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000372555685 557503549 /nfs/dbraw/zinc/50/35/49/557503549.db2.gz TUZVWFYZMUQYKW-LBPRGKRZSA-N -1 1 358.467 2.251 20 0 FEADMM Cc1ccc(N2N=C(c3nc(-c4ccc([O-])c(F)c4)no3)NCC2=O)cc1 ZINC000373151409 557639214 /nfs/dbraw/zinc/63/92/14/557639214.db2.gz MYWFQYWYPUURRL-UHFFFAOYSA-N -1 1 367.340 2.188 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)c1 ZINC000373244238 557657377 /nfs/dbraw/zinc/65/73/77/557657377.db2.gz KMPXDRJQKWPCPP-UHFFFAOYSA-N -1 1 363.391 2.470 20 0 FEADMM ClC(Cl)(Cl)c1nc(=NC[C@@H]2COC3(CCOCC3)O2)s[n-]1 ZINC000373367659 557680240 /nfs/dbraw/zinc/68/02/40/557680240.db2.gz DEHLBZUURPMNLJ-SSDOTTSWSA-N -1 1 374.677 2.121 20 0 FEADMM CCOC(=O)C1(COC)CCN(C(=O)c2c([O-])cnc3ccccc32)CC1 ZINC000373602492 557727270 /nfs/dbraw/zinc/72/72/70/557727270.db2.gz FMLCAZNOHSOIQW-UHFFFAOYSA-N -1 1 372.421 2.372 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3c[n-]n4c3nccc4=O)[nH]c2c1 ZINC000520433776 562156434 /nfs/dbraw/zinc/15/64/34/562156434.db2.gz GIFVOBFGQNIPBR-HNNXBMFYSA-N -1 1 362.393 2.185 20 0 FEADMM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1c[nH]c2ccccc2c1=O ZINC000374021480 557809410 /nfs/dbraw/zinc/80/94/10/557809410.db2.gz FOOUCUPKDQHDFE-SFHVURJKSA-N -1 1 361.401 2.059 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C)c1 ZINC000374473246 557888406 /nfs/dbraw/zinc/88/84/06/557888406.db2.gz VNZXCIVPRXLQGF-WHOFXGATSA-N -1 1 360.410 2.154 20 0 FEADMM COc1ccc(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1-c1ccn(C)n1 ZINC000374707631 557919401 /nfs/dbraw/zinc/91/94/01/557919401.db2.gz PRSSBEJGAZNUOH-JCMHNJIXSA-N -1 1 362.393 2.003 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000375154706 557984679 /nfs/dbraw/zinc/98/46/79/557984679.db2.gz VBJVYTISUJISNO-GFCCVEGCSA-N -1 1 364.833 2.187 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000375390810 558019735 /nfs/dbraw/zinc/01/97/35/558019735.db2.gz IAZQCEFUXDYKAK-UHFFFAOYSA-N -1 1 365.367 2.064 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2cc(C)on2)ccc1[N-]S(C)(=O)=O ZINC000521369362 562175121 /nfs/dbraw/zinc/17/51/21/562175121.db2.gz XYUWEAVULDPBJG-UHFFFAOYSA-N -1 1 368.415 2.027 20 0 FEADMM CCc1nc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)cs1 ZINC000521671770 562181751 /nfs/dbraw/zinc/18/17/51/562181751.db2.gz LITGPSBPUCNMMG-UHFFFAOYSA-N -1 1 352.485 2.480 20 0 FEADMM O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1c(F)ccc([O-])c1F ZINC000376038942 558117594 /nfs/dbraw/zinc/11/75/94/558117594.db2.gz ZXXBXPZXFCCHTP-LLVKDONJSA-N -1 1 361.304 2.184 20 0 FEADMM O=c1cc(CN2CCNC(=O)[C@H]2c2cccs2)c2ccc([O-])cc2o1 ZINC000376179275 558137267 /nfs/dbraw/zinc/13/72/67/558137267.db2.gz ZGMPBJQDASVSAF-QGZVFWFLSA-N -1 1 356.403 2.233 20 0 FEADMM Cc1ccc([C@H]2CCCN2C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)s1 ZINC000376685179 558208455 /nfs/dbraw/zinc/20/84/55/558208455.db2.gz DONWHJDATAVKBO-SFDYMUJDSA-N -1 1 369.450 2.014 20 0 FEADMM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3ccc(C)s3)C2=O)c1 ZINC000376766868 558219258 /nfs/dbraw/zinc/21/92/58/558219258.db2.gz ZREYFOIGEDNUER-KRWDZBQOSA-N -1 1 359.407 2.177 20 0 FEADMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)c(F)c([O-])c1F ZINC000376894209 558235441 /nfs/dbraw/zinc/23/54/41/558235441.db2.gz GPZZBMQDVMWSGQ-MFKMUULPSA-N -1 1 358.360 2.040 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000377149983 558276585 /nfs/dbraw/zinc/27/65/85/558276585.db2.gz CZHBFURNMYZUNS-SECBINFHSA-N -1 1 363.773 2.072 20 0 FEADMM CNC(=O)CN1CCc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc21 ZINC000377634310 558381998 /nfs/dbraw/zinc/38/19/98/558381998.db2.gz ZSIVOYIRLBYWDG-UHFFFAOYSA-N -1 1 361.348 2.031 20 0 FEADMM COc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000522820273 562204388 /nfs/dbraw/zinc/20/43/88/562204388.db2.gz GHDGYFSAFYTMRB-UHFFFAOYSA-N -1 1 353.400 2.012 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C)c1nn[n-]n1 ZINC000378102336 558481984 /nfs/dbraw/zinc/48/19/84/558481984.db2.gz OLRSNKWGVKLFGS-CQSZACIVSA-N -1 1 370.457 2.406 20 0 FEADMM COc1cc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1O ZINC000523118320 562208637 /nfs/dbraw/zinc/20/86/37/562208637.db2.gz NCGUAFBKHKPDCQ-UHFFFAOYSA-N -1 1 370.409 2.015 20 0 FEADMM C[C@H](NC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1)C(=O)[O-] ZINC000378211530 558503876 /nfs/dbraw/zinc/50/38/76/558503876.db2.gz QFUWMEPVGLGZMI-DZGCQCFKSA-N -1 1 357.410 2.143 20 0 FEADMM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)ccc1[O-] ZINC000378415163 558551544 /nfs/dbraw/zinc/55/15/44/558551544.db2.gz FPFVKPCEBHMUTE-IAQYHMDHSA-N -1 1 356.216 2.223 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@H]1c1noc(C3CC3)n1)c2=O ZINC000378582106 558588263 /nfs/dbraw/zinc/58/82/63/558588263.db2.gz MUQQTZMGGMWORN-ZDUSSCGKSA-N -1 1 368.397 2.302 20 0 FEADMM CCN(C[C@@H](C)OC)C(=O)c1cc(I)ccc1[O-] ZINC000383068971 558604772 /nfs/dbraw/zinc/60/47/72/558604772.db2.gz JMDTYLACEKXBKR-SECBINFHSA-N -1 1 363.195 2.494 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000523984381 562222675 /nfs/dbraw/zinc/22/26/75/562222675.db2.gz LBFCIYQSYFOHRK-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc(Cl)c1[O-] ZINC000408066143 558642733 /nfs/dbraw/zinc/64/27/33/558642733.db2.gz VFPNTVRNKYHNDN-DFHBCGBQSA-N -1 1 369.845 2.446 20 0 FEADMM Cc1cnc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000408367170 558671340 /nfs/dbraw/zinc/67/13/40/558671340.db2.gz TUSHTMFIHPIOLM-UHFFFAOYSA-N -1 1 360.458 2.332 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCC[C@H](C(=O)N(C)C)C3)cnc2n1 ZINC000524452254 562228918 /nfs/dbraw/zinc/22/89/18/562228918.db2.gz IHYGFBBTVVPCDY-STQMWFEESA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c2=O ZINC000524452254 562228919 /nfs/dbraw/zinc/22/89/19/562228919.db2.gz IHYGFBBTVVPCDY-STQMWFEESA-N -1 1 356.426 2.021 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410353784 558752680 /nfs/dbraw/zinc/75/26/80/558752680.db2.gz MGEPADRVPCMVNI-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM COc1cc(NC(=O)NCc2scnc2C)ccc1[N-]S(C)(=O)=O ZINC000525415690 562247706 /nfs/dbraw/zinc/24/77/06/562247706.db2.gz DMLIZCPMBPHUMS-UHFFFAOYSA-N -1 1 370.456 2.153 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)CCCC(=O)NCC(C)C)n2)cc1 ZINC000414217039 559153477 /nfs/dbraw/zinc/15/34/77/559153477.db2.gz AADGEPOVUYJCGQ-UHFFFAOYSA-N -1 1 364.471 2.106 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)CCCC(=O)NCC(C)C)n[n-]2)cc1 ZINC000414217039 559153479 /nfs/dbraw/zinc/15/34/79/559153479.db2.gz AADGEPOVUYJCGQ-UHFFFAOYSA-N -1 1 364.471 2.106 20 0 FEADMM COc1cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)ccc1Cl ZINC000414448886 559164478 /nfs/dbraw/zinc/16/44/78/559164478.db2.gz AAFHIRAFBNDCFH-LLVKDONJSA-N -1 1 359.753 2.348 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1=O ZINC000414662347 559178124 /nfs/dbraw/zinc/17/81/24/559178124.db2.gz RLCFHDHQZMQHPP-GXTWGEPZSA-N -1 1 374.359 2.227 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccc(OCC(F)F)cc2)C1=O ZINC000414668861 559178557 /nfs/dbraw/zinc/17/85/57/559178557.db2.gz XUYULFXGPSMHFW-HOCLYGCPSA-N -1 1 370.396 2.130 20 0 FEADMM Cc1cnc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)c([O-])c1 ZINC000527256394 562282474 /nfs/dbraw/zinc/28/24/74/562282474.db2.gz JYJOUQUKSZHNGF-UHFFFAOYSA-N -1 1 366.343 2.472 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000416165851 559295720 /nfs/dbraw/zinc/29/57/20/559295720.db2.gz IKWKMKCZVZUWQT-MFKMUULPSA-N -1 1 361.423 2.215 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000416186772 559297159 /nfs/dbraw/zinc/29/71/59/559297159.db2.gz CSKOLAPOJGJUAP-QPUJVOFHSA-N -1 1 367.789 2.056 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000416205368 559298193 /nfs/dbraw/zinc/29/81/93/559298193.db2.gz SGSIPJKKLWMNJN-UHFFFAOYSA-N -1 1 369.780 2.397 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000416236197 559300254 /nfs/dbraw/zinc/30/02/54/559300254.db2.gz AJGUIHFDPFLXTJ-JTQLQIEISA-N -1 1 371.315 2.362 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@](C)(O)C2)cc1 ZINC000416281040 559302309 /nfs/dbraw/zinc/30/23/09/559302309.db2.gz DHLITEWPVJOSQP-GLRZTSSQSA-N -1 1 374.462 2.439 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)c(F)c1Cl ZINC000416618942 559325559 /nfs/dbraw/zinc/32/55/59/559325559.db2.gz WZIUUCWEMXINRR-PSASIEDQSA-N -1 1 372.245 2.198 20 0 FEADMM COc1ccc(Br)cc1CN[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000417594573 559368629 /nfs/dbraw/zinc/36/86/29/559368629.db2.gz IYJWAEWPZVFVOS-ZDUSSCGKSA-N -1 1 354.204 2.107 20 0 FEADMM COc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2)c(SC)cc1OC ZINC000417594490 559368667 /nfs/dbraw/zinc/36/86/67/559368667.db2.gz ITUJOZRWZPCQPF-HNNXBMFYSA-N -1 1 351.428 2.075 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000421156742 559527298 /nfs/dbraw/zinc/52/72/98/559527298.db2.gz PRAFIBOGEUMEIX-CQSZACIVSA-N -1 1 359.398 2.148 20 0 FEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000421234839 559532823 /nfs/dbraw/zinc/53/28/23/559532823.db2.gz GCJDCSCACHSQND-STQMWFEESA-N -1 1 371.437 2.363 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)OC)c(F)c2)[nH]n1 ZINC000421242750 559533173 /nfs/dbraw/zinc/53/31/73/559533173.db2.gz ZEBHQLQJHFPGID-UHFFFAOYSA-N -1 1 355.391 2.018 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1F ZINC000421252090 559533686 /nfs/dbraw/zinc/53/36/86/559533686.db2.gz SDQRVBKRJLRWIJ-UHFFFAOYSA-N -1 1 357.325 2.160 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)CCOCC2CC2)cc(Cl)c1F ZINC000424071573 559653782 /nfs/dbraw/zinc/65/37/82/559653782.db2.gz UXQGRJJKFIXHJT-UHFFFAOYSA-N -1 1 365.810 2.434 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000424389897 559662757 /nfs/dbraw/zinc/66/27/57/559662757.db2.gz MIGBHWFOHLQBNU-ZBFHGGJFSA-N -1 1 353.438 2.475 20 0 FEADMM CC(C)C[C@H](CNC(=O)NCc1ccc(F)c(CN(C)C)c1)C(=O)[O-] ZINC000424405381 559663269 /nfs/dbraw/zinc/66/32/69/559663269.db2.gz HSXYEURYIQEKTE-CQSZACIVSA-N -1 1 353.438 2.433 20 0 FEADMM CCc1ccc(-c2ccc(CN3Cc4n[nH]c(=O)n4C[C@H]3C(=O)[O-])o2)cc1 ZINC000424414154 559663640 /nfs/dbraw/zinc/66/36/40/559663640.db2.gz PXWGKDZJYALLRW-HNNXBMFYSA-N -1 1 368.393 2.275 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC(O)(C(F)F)C1 ZINC000425015809 559683873 /nfs/dbraw/zinc/68/38/73/559683873.db2.gz DEZVCQDPTGVGLU-UHFFFAOYSA-N -1 1 373.153 2.155 20 0 FEADMM CCS(=O)(=O)C1CCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425264614 559694000 /nfs/dbraw/zinc/69/40/00/559694000.db2.gz XMXBYLHBIGDYAX-HNNXBMFYSA-N -1 1 374.510 3.053 20 0 FEADMM O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293218 559695035 /nfs/dbraw/zinc/69/50/35/559695035.db2.gz BMHMZRUIVCKCJK-LBPRGKRZSA-N -1 1 353.382 2.320 20 0 FEADMM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425301430 559695661 /nfs/dbraw/zinc/69/56/61/559695661.db2.gz MANQVWKNBDWWPJ-ZDUSSCGKSA-N -1 1 353.382 2.196 20 0 FEADMM O=C(CCOCC(F)(F)C(F)(F)F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425305190 559695893 /nfs/dbraw/zinc/69/58/93/559695893.db2.gz QVTQVQBBKGXKFO-MRVPVSSYSA-N -1 1 373.278 2.086 20 0 FEADMM C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425315404 559696179 /nfs/dbraw/zinc/69/61/79/559696179.db2.gz BNVLCYIDKKPREN-LBPRGKRZSA-N -1 1 368.393 2.497 20 0 FEADMM C[C@@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)[C@H]1OCCc2sccc21 ZINC000425328617 559696998 /nfs/dbraw/zinc/69/69/98/559696998.db2.gz XSSPVKQHUBUUOO-QMTHXVAHSA-N -1 1 363.439 2.493 20 0 FEADMM CCOCCOc1ccccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425327713 559697104 /nfs/dbraw/zinc/69/71/04/559697104.db2.gz WJNZQJUMFVNXHB-UHFFFAOYSA-N -1 1 361.398 2.210 20 0 FEADMM C[C@@H]1[C@@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CCN1c1ccccc1 ZINC000425327073 559697138 /nfs/dbraw/zinc/69/71/38/559697138.db2.gz VFJICCHFUSLFJV-CJNGLKHVSA-N -1 1 356.426 2.396 20 0 FEADMM Cc1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000427091507 559747694 /nfs/dbraw/zinc/74/76/94/559747694.db2.gz DRHVSDRGUPDAIT-ZDUSSCGKSA-N -1 1 361.398 2.389 20 0 FEADMM CC(C)n1cc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)nn1 ZINC000427160510 559749524 /nfs/dbraw/zinc/74/95/24/559749524.db2.gz AZHMMLYPLNRPCM-UHFFFAOYSA-N -1 1 352.464 2.074 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc2cccnc21 ZINC000427641065 559759552 /nfs/dbraw/zinc/75/95/52/559759552.db2.gz DFGPGZBIPWLXNV-UHFFFAOYSA-N -1 1 371.418 2.452 20 0 FEADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)[nH]c2c1 ZINC000427651558 559759833 /nfs/dbraw/zinc/75/98/33/559759833.db2.gz QXMZLTBYBZGNPX-UHFFFAOYSA-N -1 1 358.379 2.117 20 0 FEADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccccc3Cn3cncn3)c2C1 ZINC000427799395 559762931 /nfs/dbraw/zinc/76/29/31/559762931.db2.gz ONJTWABMWXLIDD-UHFFFAOYSA-N -1 1 369.450 2.073 20 0 FEADMM CN(C)c1noc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc23)n1 ZINC000428070841 559769228 /nfs/dbraw/zinc/76/92/28/559769228.db2.gz CNGRPTRSUNEBIX-UHFFFAOYSA-N -1 1 372.859 2.482 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1nc3cc(Cl)ccc3n1C)c2=O ZINC000428325119 559773299 /nfs/dbraw/zinc/77/32/99/559773299.db2.gz MIYRIFDPLBESGT-UHFFFAOYSA-N -1 1 370.800 2.144 20 0 FEADMM CC(C)(CC(=O)NC[C@H]1CSCCN1Cc1ccccc1)C(=O)[O-] ZINC000430900706 559829781 /nfs/dbraw/zinc/82/97/81/559829781.db2.gz QPPQTAAYCKUNGM-HNNXBMFYSA-N -1 1 350.484 2.221 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431181309 559835524 /nfs/dbraw/zinc/83/55/24/559835524.db2.gz RPFMRVJFJXPHOH-UHFFFAOYSA-N -1 1 366.374 2.076 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1C ZINC000432182856 559853533 /nfs/dbraw/zinc/85/35/33/559853533.db2.gz RTEZUNFWJJKREG-UHFFFAOYSA-N -1 1 372.402 2.424 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)cc1 ZINC000432497571 559859880 /nfs/dbraw/zinc/85/98/80/559859880.db2.gz YZZPZZGCFIBDRV-UHFFFAOYSA-N -1 1 364.423 2.382 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCOC1)c1cc(Br)sc1Cl ZINC000433652623 559885579 /nfs/dbraw/zinc/88/55/79/559885579.db2.gz DPESNZFCHNNQRU-LURJTMIESA-N -1 1 360.682 2.479 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)c1ccc(F)cc1 ZINC000434785525 559909311 /nfs/dbraw/zinc/90/93/11/559909311.db2.gz PUPMHDBFDHSYIW-CYBMUJFWSA-N -1 1 372.443 2.134 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c[nH]1 ZINC000434961972 559913322 /nfs/dbraw/zinc/91/33/22/559913322.db2.gz IVXCBEPYVVNRHV-UHFFFAOYSA-N -1 1 360.395 2.301 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1 ZINC000435129866 559916720 /nfs/dbraw/zinc/91/67/20/559916720.db2.gz MQOLIVLQDKDZOB-HNNXBMFYSA-N -1 1 358.419 2.294 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000435142091 559917147 /nfs/dbraw/zinc/91/71/47/559917147.db2.gz TXFSXQGDTRRQQA-HNNXBMFYSA-N -1 1 358.419 2.294 20 0 FEADMM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435429747 559922709 /nfs/dbraw/zinc/92/27/09/559922709.db2.gz ZEBKMHFFMWXEIJ-JTQLQIEISA-N -1 1 374.261 2.444 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2F)c1 ZINC000436479482 559942542 /nfs/dbraw/zinc/94/25/42/559942542.db2.gz UMKORNOKMBYMOP-UHFFFAOYSA-N -1 1 364.358 2.126 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnc3[nH]c(C)ccc-3c2=O)c1 ZINC000436511113 559943644 /nfs/dbraw/zinc/94/36/44/559943644.db2.gz GIWZPDJJPPZWHE-UHFFFAOYSA-N -1 1 353.334 2.388 20 0 FEADMM CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436529123 559944434 /nfs/dbraw/zinc/94/44/34/559944434.db2.gz JVKVRMQTJVCXEM-ZDUSSCGKSA-N -1 1 374.359 2.120 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000436556478 559945334 /nfs/dbraw/zinc/94/53/34/559945334.db2.gz LLLNQLBKZNPQAT-QGZVFWFLSA-N -1 1 357.406 2.491 20 0 FEADMM CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)N=c1cc[nH][nH]1 ZINC000436565804 559945593 /nfs/dbraw/zinc/94/55/93/559945593.db2.gz JQXBSLPOPJWELH-INIZCTEOSA-N -1 1 366.421 3.052 20 0 FEADMM CNC(=O)CCOC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436574626 559945758 /nfs/dbraw/zinc/94/57/58/559945758.db2.gz KMFTYFGTWRYHRX-UHFFFAOYSA-N -1 1 356.422 2.303 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC000436598959 559946236 /nfs/dbraw/zinc/94/62/36/559946236.db2.gz BHEGOFZWERLBIP-UHFFFAOYSA-N -1 1 366.414 2.148 20 0 FEADMM CNC(=O)Nc1cc(NC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1F ZINC000436609041 559946398 /nfs/dbraw/zinc/94/63/98/559946398.db2.gz VTBZFYOGBFRXNE-UHFFFAOYSA-N -1 1 360.345 2.493 20 0 FEADMM CC[C@H](C)c1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])on1 ZINC000436615414 559946596 /nfs/dbraw/zinc/94/65/96/559946596.db2.gz DPUDSKFKSJOZBC-VIFPVBQESA-N -1 1 353.400 2.054 20 0 FEADMM Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])nn1 ZINC000436648345 559947710 /nfs/dbraw/zinc/94/77/10/559947710.db2.gz TVJISCBUXXRYOZ-UHFFFAOYSA-N -1 1 373.319 2.304 20 0 FEADMM O=C(Cn1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1)NC1CC1 ZINC000436670761 559948470 /nfs/dbraw/zinc/94/84/70/559948470.db2.gz HEIIMWKMVQRKHC-UHFFFAOYSA-N -1 1 350.378 2.273 20 0 FEADMM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)C(=O)c1ccc([O-])cc1 ZINC000436695615 559948985 /nfs/dbraw/zinc/94/89/85/559948985.db2.gz GBZYCNMBHGXOHN-UHFFFAOYSA-N -1 1 362.332 2.328 20 0 FEADMM NC(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])c(OCC(F)F)c1 ZINC000436698155 559949124 /nfs/dbraw/zinc/94/91/24/559949124.db2.gz LUGZCVWIAJXHQX-UHFFFAOYSA-N -1 1 352.293 2.093 20 0 FEADMM Nc1cc(CCCNC(=O)C(=O)c2ccc([O-])cc2)nn1-c1ccccc1 ZINC000436696491 559949144 /nfs/dbraw/zinc/94/91/44/559949144.db2.gz HJZCQJHDEBMIBH-UHFFFAOYSA-N -1 1 364.405 2.092 20 0 FEADMM CC(C)CN1C[C@H]2CN(C(=O)c3ccc(Cl)cc3[O-])CCN2C1=O ZINC000436702501 559949312 /nfs/dbraw/zinc/94/93/12/559949312.db2.gz FHBFPLCPNAEICC-CYBMUJFWSA-N -1 1 351.834 2.264 20 0 FEADMM CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436711166 559949587 /nfs/dbraw/zinc/94/95/87/559949587.db2.gz DXDOMZYGAHCFCG-BDAKNGLRSA-N -1 1 366.418 2.338 20 0 FEADMM COc1cc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc(Br)c1O ZINC000436716794 559949813 /nfs/dbraw/zinc/94/98/13/559949813.db2.gz RCZZDDIHQLXQLE-NSCUHMNNSA-N -1 1 363.171 2.065 20 0 FEADMM COCC(=O)N1CCc2cc(NC(=O)c3ccc(OC)cc3[O-])ccc21 ZINC000436746677 559950731 /nfs/dbraw/zinc/95/07/31/559950731.db2.gz GYYALRYQMGIPBQ-UHFFFAOYSA-N -1 1 356.378 2.189 20 0 FEADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436753895 559951005 /nfs/dbraw/zinc/95/10/05/559951005.db2.gz GTTZAXXCBNUYOC-UHFFFAOYSA-N -1 1 364.423 2.341 20 0 FEADMM COC(=O)C[C@](C)(NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(OC)c1 ZINC000436775738 559951713 /nfs/dbraw/zinc/95/17/13/559951713.db2.gz RBDVLQRJOMSHCL-FQEVSTJZSA-N -1 1 371.389 2.178 20 0 FEADMM COCCN1C(=O)CCc2cc(NC(=O)c3ccc(O)cc3[O-])ccc21 ZINC000436783082 559951785 /nfs/dbraw/zinc/95/17/85/559951785.db2.gz QBYANNFDVIKTTN-UHFFFAOYSA-N -1 1 356.378 2.276 20 0 FEADMM Cc1[nH]nc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3[O-])ccc12 ZINC000436794561 559952254 /nfs/dbraw/zinc/95/22/54/559952254.db2.gz BZXOCEWGDFNQSP-UHFFFAOYSA-N -1 1 374.422 2.080 20 0 FEADMM C[C@]1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCCNC1=O ZINC000436808752 559952753 /nfs/dbraw/zinc/95/27/53/559952753.db2.gz QQJNVPBOMKWGLU-FQEVSTJZSA-N -1 1 373.453 2.310 20 0 FEADMM O=C(CCn1ccnn1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436844145 559953987 /nfs/dbraw/zinc/95/39/87/559953987.db2.gz DKIOBRBZGZFDLW-UHFFFAOYSA-N -1 1 357.414 2.075 20 0 FEADMM O=C(NCc1ccno1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436911321 559956149 /nfs/dbraw/zinc/95/61/49/559956149.db2.gz UDPQPGGOXBEURY-QGZVFWFLSA-N -1 1 365.389 2.454 20 0 FEADMM O=C(CNC(=O)c1ccccc1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915344 559956175 /nfs/dbraw/zinc/95/61/75/559956175.db2.gz NWQTYYSBFXGBAI-UHFFFAOYSA-N -1 1 371.784 2.199 20 0 FEADMM O=C(CNC(=O)c1ccccc1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915344 559956176 /nfs/dbraw/zinc/95/61/76/559956176.db2.gz NWQTYYSBFXGBAI-UHFFFAOYSA-N -1 1 371.784 2.199 20 0 FEADMM COc1cc(/C=C\c2cc(=O)n3[n-]cnc3n2)c(Br)cc1O ZINC000436931561 559956947 /nfs/dbraw/zinc/95/69/47/559956947.db2.gz KEXWWLCMWVXPBT-IHWYPQMZSA-N -1 1 363.171 2.065 20 0 FEADMM O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)C(=O)c1ccc([O-])cc1 ZINC000436939060 559957141 /nfs/dbraw/zinc/95/71/41/559957141.db2.gz LWEWCTRXSMDEQE-LLVKDONJSA-N -1 1 365.788 2.335 20 0 FEADMM COc1cc(OC)c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1OC ZINC000439023154 559987239 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/nfs/dbraw/zinc/74/35/35/560743535.db2.gz DNVONPFDZPPNPY-UHFFFAOYSA-N -1 1 359.411 2.077 20 0 FEADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2nn1C ZINC000461336785 560766903 /nfs/dbraw/zinc/76/69/03/560766903.db2.gz YJGBNUGIQYPGHZ-UHFFFAOYSA-N -1 1 356.407 2.177 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(C)s2)c1 ZINC000461462675 560772595 /nfs/dbraw/zinc/77/25/95/560772595.db2.gz AWVHYANKFFSSJW-UHFFFAOYSA-N -1 1 354.453 2.242 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1C(=O)N(C)C ZINC000462097775 560796959 /nfs/dbraw/zinc/79/69/59/560796959.db2.gz APEAQBBVJVZIMQ-UHFFFAOYSA-N -1 1 364.423 2.212 20 0 FEADMM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000464194972 560835203 /nfs/dbraw/zinc/83/52/03/560835203.db2.gz NYHSAXJYDIHDCY-UHFFFAOYSA-N -1 1 374.212 2.212 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCCCF)c2)n1 ZINC000464442699 560842082 /nfs/dbraw/zinc/84/20/82/560842082.db2.gz SLYBZQCYMXOYIJ-UHFFFAOYSA-N -1 1 363.393 2.197 20 0 FEADMM Cn1[n-]c(CN2CCc3c(Br)ccc(Cl)c3C2)nc1=O ZINC000464575983 560845728 /nfs/dbraw/zinc/84/57/28/560845728.db2.gz NYZLMGSGWICSMD-UHFFFAOYSA-N -1 1 357.639 2.083 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1N)c1noc(C)n1 ZINC000467425969 560909860 /nfs/dbraw/zinc/90/98/60/560909860.db2.gz SZYPLTBYVREFSV-INIZCTEOSA-N -1 1 374.422 2.037 20 0 FEADMM COc1cc(NC(=O)NC[C@@]2(C)CCCS2)ccc1[N-]S(C)(=O)=O ZINC000467577741 560913053 /nfs/dbraw/zinc/91/30/53/560913053.db2.gz IHARZNALJIIDST-OAHLLOKOSA-N -1 1 373.500 2.474 20 0 FEADMM COc1cc(NC(=O)N2CCC3(CCC3)C2)ccc1[N-]S(C)(=O)=O ZINC000467582558 560913190 /nfs/dbraw/zinc/91/31/90/560913190.db2.gz TZWNGBXLECHYMI-UHFFFAOYSA-N -1 1 353.444 2.475 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(OC)c(OC(F)F)c(OC)c1)c1nn[n-]n1 ZINC000467633095 560914090 /nfs/dbraw/zinc/91/40/90/560914090.db2.gz ADHGUKQIQBCXIA-SECBINFHSA-N -1 1 371.344 2.090 20 0 FEADMM C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000468044473 560921512 /nfs/dbraw/zinc/92/15/12/560921512.db2.gz IKSLDBWTYLABAP-GOEBONIOSA-N -1 1 374.462 2.330 20 0 FEADMM CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)c1cccc(OC)c1 ZINC000468502950 560931705 /nfs/dbraw/zinc/93/17/05/560931705.db2.gz VDQRVDMGHASNOF-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM CCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1)c1cccc(OC)c1 ZINC000468502950 560931706 /nfs/dbraw/zinc/93/17/06/560931706.db2.gz VDQRVDMGHASNOF-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM Cc1cnc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000468721489 560936986 /nfs/dbraw/zinc/93/69/86/560936986.db2.gz CLXLNPGADUIPBW-MGPUTAFESA-N -1 1 356.422 2.278 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccc(C)c(C)c1 ZINC000468821014 560939768 /nfs/dbraw/zinc/93/97/68/560939768.db2.gz FBIXBUNUPULEQO-INIZCTEOSA-N -1 1 365.455 2.273 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2O)cc1C(=O)[O-] ZINC000468965963 560943562 /nfs/dbraw/zinc/94/35/62/560943562.db2.gz LZWCOTRPQHVDAL-UHFFFAOYSA-N -1 1 367.379 2.299 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)c[nH]1 ZINC000471520195 561006346 /nfs/dbraw/zinc/00/63/46/561006346.db2.gz PBBJRRKELALHGG-UHFFFAOYSA-N -1 1 366.443 2.448 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(OC)cc2Cl)o1 ZINC000472322221 561024265 /nfs/dbraw/zinc/02/42/65/561024265.db2.gz BWBQSTFIVJAKHW-UHFFFAOYSA-N -1 1 373.814 2.249 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cnn(CC)c1)c1cccc(C)c1C ZINC000472759345 561034683 /nfs/dbraw/zinc/03/46/83/561034683.db2.gz KKBIKLCKHLHESN-MRXNPFEDSA-N -1 1 365.455 2.103 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2csc(-c3ccccc3F)n2)[n-]1 ZINC000474431082 561073915 /nfs/dbraw/zinc/07/39/15/561073915.db2.gz CTBMUYSLLIDJNZ-UHFFFAOYSA-N -1 1 368.415 2.188 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2csc(-c3ccccc3F)n2)n[n-]1 ZINC000474431082 561073916 /nfs/dbraw/zinc/07/39/16/561073916.db2.gz CTBMUYSLLIDJNZ-UHFFFAOYSA-N -1 1 368.415 2.188 20 0 FEADMM CCOC[C@@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C(C)C ZINC000474707935 561080914 /nfs/dbraw/zinc/08/09/14/561080914.db2.gz PLNGQMDDVZCMAF-CQSZACIVSA-N -1 1 373.475 2.249 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CC2(CSc3ccccc3)CC2)n1 ZINC000474872019 561084636 /nfs/dbraw/zinc/08/46/36/561084636.db2.gz WOZJJUOPYXLBJS-UHFFFAOYSA-N -1 1 366.468 2.109 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CC2(CSc3ccccc3)CC2)[n-]1 ZINC000474872019 561084637 /nfs/dbraw/zinc/08/46/37/561084637.db2.gz WOZJJUOPYXLBJS-UHFFFAOYSA-N -1 1 366.468 2.109 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C ZINC000475795749 561105531 /nfs/dbraw/zinc/10/55/31/561105531.db2.gz XPMNUOFJQZQVFB-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1c(C)nc3cc(=O)[n-]n3c1C)O2 ZINC000476059354 561110565 /nfs/dbraw/zinc/11/05/65/561110565.db2.gz GMKBZBXEMHSXEK-KRWDZBQOSA-N -1 1 366.421 2.370 20 0 FEADMM CC[C@H](CCO)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476092513 561111148 /nfs/dbraw/zinc/11/11/48/561111148.db2.gz XRLDVDYKCCRIKE-CQSZACIVSA-N -1 1 358.442 2.010 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C)c1ccc(C)o1 ZINC000528338337 562323527 /nfs/dbraw/zinc/32/35/27/562323527.db2.gz LSAGXWRJMAWVHT-SECBINFHSA-N -1 1 367.349 2.006 20 0 FEADMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1sccc1Br ZINC000528488316 562331862 /nfs/dbraw/zinc/33/18/62/562331862.db2.gz BAOJNYXZRSHAQR-WRWORJQWSA-N -1 1 352.275 2.356 20 0 FEADMM C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000528965387 562354580 /nfs/dbraw/zinc/35/45/80/562354580.db2.gz WUQQRDZBMZGUPI-PELKAZGASA-N -1 1 365.224 2.309 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC(Cc2ccco2)C1 ZINC000529859234 562389075 /nfs/dbraw/zinc/38/90/75/562389075.db2.gz TZXPLGZQBWFQLH-UHFFFAOYSA-N -1 1 364.405 2.389 20 0 FEADMM CC(=O)Nc1ccc(C)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000530571846 562416388 /nfs/dbraw/zinc/41/63/88/562416388.db2.gz MKZJQECEWRAGLV-UHFFFAOYSA-N -1 1 367.365 2.264 20 0 FEADMM Cc1nc(C2(NC(=O)c3nc4ccccc4c(=O)[n-]3)CCCCC2)no1 ZINC000531450846 562446446 /nfs/dbraw/zinc/44/64/46/562446446.db2.gz UGBGGAGMYFBYMO-UHFFFAOYSA-N -1 1 353.382 2.204 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)n[nH]2)cc1OC ZINC000532875173 562491384 /nfs/dbraw/zinc/49/13/84/562491384.db2.gz RFDDWRIDQMXPCW-GFCCVEGCSA-N -1 1 373.409 2.421 20 0 FEADMM CCN(CC)C(=O)c1cccc(NC(=O)CNC2(C(=O)[O-])CCCC2)c1 ZINC000532881649 562491560 /nfs/dbraw/zinc/49/15/60/562491560.db2.gz PEJAHFVYDRNSGH-UHFFFAOYSA-N -1 1 361.442 2.094 20 0 FEADMM CCN(CC)C(=O)c1ccc(NC(=O)CNC2(C(=O)[O-])CCCC2)cc1 ZINC000532882044 562491606 /nfs/dbraw/zinc/49/16/06/562491606.db2.gz WIXWDJAMIUROFO-UHFFFAOYSA-N -1 1 361.442 2.094 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000532947369 562493273 /nfs/dbraw/zinc/49/32/73/562493273.db2.gz FCAZQSDVCRFHOY-ZDUSSCGKSA-N -1 1 353.378 2.206 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000533253305 562502823 /nfs/dbraw/zinc/50/28/23/562502823.db2.gz ZTWGCRGOLNSMJN-PVUDRZGPSA-N -1 1 350.531 2.118 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(F)(F)F ZINC000534094335 562525089 /nfs/dbraw/zinc/52/50/89/562525089.db2.gz URZSBBLYTDCKGT-GFCCVEGCSA-N -1 1 366.386 2.402 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1 ZINC000535096947 562551129 /nfs/dbraw/zinc/55/11/29/562551129.db2.gz YZXVNRWPTPBFSV-UHFFFAOYSA-N -1 1 370.344 2.026 20 0 FEADMM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1cc(F)c(F)cc1F ZINC000535140020 562551842 /nfs/dbraw/zinc/55/18/42/562551842.db2.gz AZBNZDXYZLFTKY-UHFFFAOYSA-N -1 1 357.357 2.292 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)co1 ZINC000535147004 562552043 /nfs/dbraw/zinc/55/20/43/562552043.db2.gz KASGWPJKWGVWRU-UHFFFAOYSA-N -1 1 365.411 2.035 20 0 FEADMM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1cc(F)cc(Cl)c1 ZINC000535891129 562570485 /nfs/dbraw/zinc/57/04/85/562570485.db2.gz FFLIGZLMGJYTPS-UHFFFAOYSA-N -1 1 367.793 2.384 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1 ZINC000536496185 562576956 /nfs/dbraw/zinc/57/69/56/562576956.db2.gz HHOFZKKEOBXBIQ-UHFFFAOYSA-N -1 1 354.409 2.285 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1F ZINC000536497242 562577006 /nfs/dbraw/zinc/57/70/06/562577006.db2.gz KLYFAHIFUPCKPI-UHFFFAOYSA-N -1 1 372.399 2.424 20 0 FEADMM Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1-c1ccccc1 ZINC000537124116 562585970 /nfs/dbraw/zinc/58/59/70/562585970.db2.gz AVGQENHVJHFNTQ-CQSZACIVSA-N -1 1 364.409 2.296 20 0 FEADMM C[C@H](C[C@H](C)O)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000541241152 562607021 /nfs/dbraw/zinc/60/70/21/562607021.db2.gz ILGGNXPRGADCNQ-KGLIPLIRSA-N -1 1 362.451 2.377 20 0 FEADMM CCCc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1C1CCCC1 ZINC000541455258 562612412 /nfs/dbraw/zinc/61/24/12/562612412.db2.gz BTLRDFFYGJBYJG-ZDUSSCGKSA-N -1 1 357.462 2.484 20 0 FEADMM CCn1cc(Br)c(=O)c([N-]S(=O)(=O)c2ccc(C)o2)c1 ZINC000541806417 562620068 /nfs/dbraw/zinc/62/00/68/562620068.db2.gz LJUZAMYYVSFOBR-UHFFFAOYSA-N -1 1 361.217 2.333 20 0 FEADMM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000541841445 562621251 /nfs/dbraw/zinc/62/12/51/562621251.db2.gz NVFYOAYNOZYWQU-UHFFFAOYSA-N -1 1 357.801 2.270 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1 ZINC000542004550 562625428 /nfs/dbraw/zinc/62/54/28/562625428.db2.gz IOAMEFIEYABUKD-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM O=c1cc(/C=C\c2cnn(Cc3ccccc3)c2Cl)nc2nc[n-]n21 ZINC000806571204 674381422 /nfs/dbraw/zinc/38/14/22/674381422.db2.gz QYLTVDVGMWJEPF-SREVYHEPSA-N -1 1 352.785 2.486 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)s1 ZINC000556176308 674390977 /nfs/dbraw/zinc/39/09/77/674390977.db2.gz WUOZMZGXQDFLMY-UHFFFAOYSA-N -1 1 355.319 2.077 20 0 FEADMM CC[C@H](C(N)=O)[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000556326601 674397263 /nfs/dbraw/zinc/39/72/63/674397263.db2.gz INHLXOSIGNLIJU-QGZVFWFLSA-N -1 1 361.467 2.183 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000556363088 674398698 /nfs/dbraw/zinc/39/86/98/674398698.db2.gz SBLBZLRAORMIJJ-OAHLLOKOSA-N -1 1 366.439 2.306 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)NCCc1ccccc1 ZINC000556359927 674398761 /nfs/dbraw/zinc/39/87/61/674398761.db2.gz ILMVGYPVQQAPDN-UHFFFAOYSA-N -1 1 370.833 2.116 20 0 FEADMM COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000601770318 567832980 /nfs/dbraw/zinc/83/29/80/567832980.db2.gz AOHKQMVNCSAMIX-SFHVURJKSA-N -1 1 371.380 2.491 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000601959237 567886614 /nfs/dbraw/zinc/88/66/14/567886614.db2.gz IAMYQMZKAAHDIK-UHFFFAOYSA-N -1 1 367.402 2.025 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C(C)(C)c2cccc(Cl)c2F)n[n-]1 ZINC000603015678 568051822 /nfs/dbraw/zinc/05/18/22/568051822.db2.gz KLUNUMHKYNYDEJ-UHFFFAOYSA-N -1 1 368.796 2.368 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C(C)(C)c2cccc(Cl)c2F)n1 ZINC000603015678 568051823 /nfs/dbraw/zinc/05/18/23/568051823.db2.gz KLUNUMHKYNYDEJ-UHFFFAOYSA-N -1 1 368.796 2.368 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(c3ccccc3C)CCCC2)n[n-]1 ZINC000603024163 568052819 /nfs/dbraw/zinc/05/28/19/568052819.db2.gz VGXPONBVZYSZKL-UHFFFAOYSA-N -1 1 356.426 2.418 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(c3ccccc3C)CCCC2)n1 ZINC000603024163 568052820 /nfs/dbraw/zinc/05/28/20/568052820.db2.gz VGXPONBVZYSZKL-UHFFFAOYSA-N -1 1 356.426 2.418 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CCSc3ccccc32)n[n-]1 ZINC000603154935 568068492 /nfs/dbraw/zinc/06/84/92/568068492.db2.gz NAAUAPZXCHSLOD-ZYHUDNBSSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CCSc3ccccc32)[n-]1 ZINC000603154935 568068493 /nfs/dbraw/zinc/06/84/93/568068493.db2.gz NAAUAPZXCHSLOD-ZYHUDNBSSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CCSc3ccccc32)n1 ZINC000603154935 568068494 /nfs/dbraw/zinc/06/84/94/568068494.db2.gz NAAUAPZXCHSLOD-ZYHUDNBSSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n[n-]1 ZINC000603155594 568068625 /nfs/dbraw/zinc/06/86/25/568068625.db2.gz OLOYUODSSPFTMV-NXPJVHOHSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)[n-]1 ZINC000603155594 568068626 /nfs/dbraw/zinc/06/86/26/568068626.db2.gz OLOYUODSSPFTMV-NXPJVHOHSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n1 ZINC000603155594 568068627 /nfs/dbraw/zinc/06/86/27/568068627.db2.gz OLOYUODSSPFTMV-NXPJVHOHSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n[n-]1 ZINC000603156715 568068782 /nfs/dbraw/zinc/06/87/82/568068782.db2.gz SYKRJXVXROTIMB-XRNSZHNASA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)[n-]1 ZINC000603156715 568068783 /nfs/dbraw/zinc/06/87/83/568068783.db2.gz SYKRJXVXROTIMB-XRNSZHNASA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n1 ZINC000603156715 568068784 /nfs/dbraw/zinc/06/87/84/568068784.db2.gz SYKRJXVXROTIMB-XRNSZHNASA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C[C@H]2CCc3ccccc3C2)n[n-]1 ZINC000603159376 568069136 /nfs/dbraw/zinc/06/91/36/568069136.db2.gz BFEYJTHSEDTPSB-OLZOCXBDSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C[C@H]2CCc3ccccc3C2)[n-]1 ZINC000603159376 568069137 /nfs/dbraw/zinc/06/91/37/568069137.db2.gz BFEYJTHSEDTPSB-OLZOCXBDSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C[C@H]2CCc3ccccc3C2)n1 ZINC000603159376 568069138 /nfs/dbraw/zinc/06/91/38/568069138.db2.gz BFEYJTHSEDTPSB-OLZOCXBDSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CSc2ccc(F)cc2)n[n-]1 ZINC000603161410 568069341 /nfs/dbraw/zinc/06/93/41/568069341.db2.gz FMLUVSSVGGZSJC-SECBINFHSA-N -1 1 352.391 2.090 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CSc2ccc(F)cc2)[n-]1 ZINC000603161410 568069342 /nfs/dbraw/zinc/06/93/42/568069342.db2.gz FMLUVSSVGGZSJC-SECBINFHSA-N -1 1 352.391 2.090 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CSc2ccc(F)cc2)n1 ZINC000603161410 568069343 /nfs/dbraw/zinc/06/93/43/568069343.db2.gz FMLUVSSVGGZSJC-SECBINFHSA-N -1 1 352.391 2.090 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603282294 568082516 /nfs/dbraw/zinc/08/25/16/568082516.db2.gz CRVUFMCHISGBSC-UKRRQHHQSA-N -1 1 361.410 2.126 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1 ZINC000603388706 568094753 /nfs/dbraw/zinc/09/47/53/568094753.db2.gz RTZHEKIRCMNHNI-FZKCQIBNSA-N -1 1 367.467 2.309 20 0 FEADMM C[C@@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000563123761 568249894 /nfs/dbraw/zinc/24/98/94/568249894.db2.gz GZYQLDIETHOKJH-MFKMUULPSA-N -1 1 355.232 2.430 20 0 FEADMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000563136279 568275363 /nfs/dbraw/zinc/27/53/63/568275363.db2.gz RCYPGFVFKKVPRU-HNNXBMFYSA-N -1 1 357.428 2.340 20 0 FEADMM O=C1NCCc2ccc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)cc21 ZINC000604972653 568464913 /nfs/dbraw/zinc/46/49/13/568464913.db2.gz OMXOLERPNWXXKR-UHFFFAOYSA-N -1 1 371.393 2.461 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H]1CCOC1 ZINC000738111660 598834765 /nfs/dbraw/zinc/83/47/65/598834765.db2.gz IWHJXXKETUNANV-ZDUSSCGKSA-N -1 1 355.423 2.248 20 0 FEADMM CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736401825 598872424 /nfs/dbraw/zinc/87/24/24/598872424.db2.gz YOEMKYHPZICXBR-SNVBAGLBSA-N -1 1 355.851 2.473 20 0 FEADMM CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736401825 598872425 /nfs/dbraw/zinc/87/24/25/598872425.db2.gz YOEMKYHPZICXBR-SNVBAGLBSA-N -1 1 355.851 2.473 20 0 FEADMM CCCN(CCNC(=O)C(=O)c1ccc([O-])cc1)C(=O)OC(C)(C)C ZINC000807151774 674406519 /nfs/dbraw/zinc/40/65/19/674406519.db2.gz OORPAAGBGREDSY-UHFFFAOYSA-N -1 1 350.415 2.338 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000737301113 598929699 /nfs/dbraw/zinc/92/96/99/598929699.db2.gz HTSNOTUHZSZRIR-UHFFFAOYSA-N -1 1 355.423 2.465 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c(C)c1O ZINC000737301969 598930633 /nfs/dbraw/zinc/93/06/33/598930633.db2.gz ZBHVOTSVOMMSKN-UHFFFAOYSA-N -1 1 359.411 2.298 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc(N2CCCC2)nc1 ZINC000738437663 598935821 /nfs/dbraw/zinc/93/58/21/598935821.db2.gz SGSLWMRUVLMMLG-UHFFFAOYSA-N -1 1 373.424 2.417 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccc(N2CCCC2)nc1 ZINC000738437663 598935822 /nfs/dbraw/zinc/93/58/22/598935822.db2.gz SGSLWMRUVLMMLG-UHFFFAOYSA-N -1 1 373.424 2.417 20 0 FEADMM c1ccc2c(c1)C[C@@H](CNc1c3ccccc3nnc1-c1nnn[n-]1)CO2 ZINC000738435836 598937194 /nfs/dbraw/zinc/93/71/94/598937194.db2.gz BANYPAUGFSCEQN-LBPRGKRZSA-N -1 1 359.393 2.473 20 0 FEADMM c1ccc2c(c1)C[C@@H](CNc1c3ccccc3nnc1-c1nn[n-]n1)CO2 ZINC000738435836 598937195 /nfs/dbraw/zinc/93/71/95/598937195.db2.gz BANYPAUGFSCEQN-LBPRGKRZSA-N -1 1 359.393 2.473 20 0 FEADMM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145421 598951310 /nfs/dbraw/zinc/95/13/10/598951310.db2.gz LBNUTELGOXGPFK-UHFFFAOYSA-N -1 1 360.381 2.022 20 0 FEADMM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145421 598951312 /nfs/dbraw/zinc/95/13/12/598951312.db2.gz LBNUTELGOXGPFK-UHFFFAOYSA-N -1 1 360.381 2.022 20 0 FEADMM O=C(CCNc1c2ccccc2nnc1-c1nnn[n-]1)N1CCCCCC1 ZINC000737847646 598964195 /nfs/dbraw/zinc/96/41/95/598964195.db2.gz KKMRQEIFJRMVMO-UHFFFAOYSA-N -1 1 366.429 2.015 20 0 FEADMM O=C(CCNc1c2ccccc2nnc1-c1nn[n-]n1)N1CCCCCC1 ZINC000737847646 598964197 /nfs/dbraw/zinc/96/41/97/598964197.db2.gz KKMRQEIFJRMVMO-UHFFFAOYSA-N -1 1 366.429 2.015 20 0 FEADMM c1ccc(NC[C@H]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)nc1 ZINC000738434603 598964382 /nfs/dbraw/zinc/96/43/82/598964382.db2.gz FPKYQABKGMUHMM-CYBMUJFWSA-N -1 1 373.424 2.143 20 0 FEADMM c1ccc(NC[C@H]2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)nc1 ZINC000738434603 598964383 /nfs/dbraw/zinc/96/43/83/598964383.db2.gz FPKYQABKGMUHMM-CYBMUJFWSA-N -1 1 373.424 2.143 20 0 FEADMM O=C(Nc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738150366 598979127 /nfs/dbraw/zinc/97/91/27/598979127.db2.gz JJVJOQJTWBJHHL-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Nc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738150366 598979128 /nfs/dbraw/zinc/97/91/28/598979128.db2.gz JJVJOQJTWBJHHL-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000738260106 598985869 /nfs/dbraw/zinc/98/58/69/598985869.db2.gz ZMQVZELWVACYMH-ZDUSSCGKSA-N -1 1 370.438 2.145 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000738260106 598985871 /nfs/dbraw/zinc/98/58/71/598985871.db2.gz ZMQVZELWVACYMH-ZDUSSCGKSA-N -1 1 370.438 2.145 20 0 FEADMM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172501 598994671 /nfs/dbraw/zinc/99/46/71/598994671.db2.gz NFUKSUQCYDFTMO-HNNXBMFYSA-N -1 1 366.381 2.072 20 0 FEADMM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172501 598994672 /nfs/dbraw/zinc/99/46/72/598994672.db2.gz NFUKSUQCYDFTMO-HNNXBMFYSA-N -1 1 366.381 2.072 20 0 FEADMM CC(C)COc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735844421 598995480 /nfs/dbraw/zinc/99/54/80/598995480.db2.gz JHIGVRGNFAUMNF-UHFFFAOYSA-N -1 1 352.398 2.227 20 0 FEADMM CC(C)COc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735844421 598995482 /nfs/dbraw/zinc/99/54/82/598995482.db2.gz JHIGVRGNFAUMNF-UHFFFAOYSA-N -1 1 352.398 2.227 20 0 FEADMM O=C(NCCOc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085356 598996546 /nfs/dbraw/zinc/99/65/46/598996546.db2.gz FUCYGVDYRSKDRK-UHFFFAOYSA-N -1 1 360.377 2.224 20 0 FEADMM O=C(NCCOc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085356 598996548 /nfs/dbraw/zinc/99/65/48/598996548.db2.gz FUCYGVDYRSKDRK-UHFFFAOYSA-N -1 1 360.377 2.224 20 0 FEADMM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738171143 599004033 /nfs/dbraw/zinc/00/40/33/599004033.db2.gz CDYOAOYEDVXGBU-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738171143 599004035 /nfs/dbraw/zinc/00/40/35/599004035.db2.gz CDYOAOYEDVXGBU-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM CCc1nn(Cc2ccc3c(c2)CCC3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705972 599012962 /nfs/dbraw/zinc/01/29/62/599012962.db2.gz DQNDNIHUPYICLU-UHFFFAOYSA-N -1 1 350.426 2.085 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@H]1c1ccccc1 ZINC000738260051 599016083 /nfs/dbraw/zinc/01/60/83/599016083.db2.gz XVBBRDXISRMERP-HNNXBMFYSA-N -1 1 352.423 2.192 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@H]1c1ccccc1 ZINC000738260051 599016085 /nfs/dbraw/zinc/01/60/85/599016085.db2.gz XVBBRDXISRMERP-HNNXBMFYSA-N -1 1 352.423 2.192 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000737201517 599082466 /nfs/dbraw/zinc/08/24/66/599082466.db2.gz UAJDSFJAKPZEJR-MFKMUULPSA-N -1 1 358.446 2.164 20 0 FEADMM O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236536 599137954 /nfs/dbraw/zinc/13/79/54/599137954.db2.gz MYSYNOHOPUEBHV-UHFFFAOYSA-N -1 1 371.225 2.314 20 0 FEADMM O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236536 599137956 /nfs/dbraw/zinc/13/79/56/599137956.db2.gz MYSYNOHOPUEBHV-UHFFFAOYSA-N -1 1 371.225 2.314 20 0 FEADMM C[C@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703142 599344852 /nfs/dbraw/zinc/34/48/52/599344852.db2.gz DBEFABXOUXRTPH-JTQLQIEISA-N -1 1 355.851 2.473 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@H]1C ZINC000820711164 599346235 /nfs/dbraw/zinc/34/62/35/599346235.db2.gz VAQCRLLSTQJIHG-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000737270684 599231153 /nfs/dbraw/zinc/23/11/53/599231153.db2.gz OLRUVSCTCPZMNM-ZDUSSCGKSA-N -1 1 354.393 2.185 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000737270684 599231156 /nfs/dbraw/zinc/23/11/56/599231156.db2.gz OLRUVSCTCPZMNM-ZDUSSCGKSA-N -1 1 354.393 2.185 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)c1 ZINC000738127463 597196672 /nfs/dbraw/zinc/19/66/72/597196672.db2.gz QCIHRRXFHXMJDV-UHFFFAOYSA-N -1 1 370.409 2.071 20 0 FEADMM O=C(COc1c(Cl)cccc1Cl)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737916555 599255803 /nfs/dbraw/zinc/25/58/03/599255803.db2.gz NZOKBKJBROEVFL-UHFFFAOYSA-N -1 1 365.180 2.008 20 0 FEADMM CCOc1ccc(C(=O)N(C)C)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821418210 607318476 /nfs/dbraw/zinc/31/84/76/607318476.db2.gz XVQJLFKORYGYTJ-UHFFFAOYSA-N -1 1 356.386 2.172 20 0 FEADMM CCOc1ccc(C(=O)N(C)C)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821418210 607318477 /nfs/dbraw/zinc/31/84/77/607318477.db2.gz XVQJLFKORYGYTJ-UHFFFAOYSA-N -1 1 356.386 2.172 20 0 FEADMM Cc1csc([C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737455428 599285915 /nfs/dbraw/zinc/28/59/15/599285915.db2.gz QXDOGKYGBTZUPD-GFCCVEGCSA-N -1 1 355.427 2.046 20 0 FEADMM Cc1csc([C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737455428 599285918 /nfs/dbraw/zinc/28/59/18/599285918.db2.gz QXDOGKYGBTZUPD-GFCCVEGCSA-N -1 1 355.427 2.046 20 0 FEADMM C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000736805928 598031079 /nfs/dbraw/zinc/03/10/79/598031079.db2.gz AHZZJNIPYYOYDC-TXEJJXNPSA-N -1 1 353.394 2.145 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000736805928 598031083 /nfs/dbraw/zinc/03/10/83/598031083.db2.gz AHZZJNIPYYOYDC-TXEJJXNPSA-N -1 1 353.394 2.145 20 0 FEADMM CC(=O)N(c1nc(CN[C@@H](Cc2ccccc2)C(=O)[O-])cs1)C1CC1 ZINC000819732029 598193570 /nfs/dbraw/zinc/19/35/70/598193570.db2.gz SODOPEZLJFYWNX-INIZCTEOSA-N -1 1 359.451 2.444 20 0 FEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737390738 598267905 /nfs/dbraw/zinc/26/79/05/598267905.db2.gz WNRMWCOROMWMHB-INIZCTEOSA-N -1 1 370.438 2.096 20 0 FEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737390738 598267907 /nfs/dbraw/zinc/26/79/07/598267907.db2.gz WNRMWCOROMWMHB-INIZCTEOSA-N -1 1 370.438 2.096 20 0 FEADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802061 674430235 /nfs/dbraw/zinc/43/02/35/674430235.db2.gz NVGVYNGJRROXQK-NQUGEPOWSA-N -1 1 362.392 2.296 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1=O ZINC000807802885 674430454 /nfs/dbraw/zinc/43/04/54/674430454.db2.gz SLPWWZXEGRDXMW-ZUDIRPEPSA-N -1 1 362.392 2.296 20 0 FEADMM CN(Cc1ccc(Br)s1)c1nccnc1-c1nnn[n-]1 ZINC000736817184 598338239 /nfs/dbraw/zinc/33/82/39/598338239.db2.gz UHPJEQVSXADRHU-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CN(Cc1ccc(Br)s1)c1nccnc1-c1nn[n-]n1 ZINC000736817184 598338241 /nfs/dbraw/zinc/33/82/41/598338241.db2.gz UHPJEQVSXADRHU-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cn(-c3ccccc3)nn2)n1 ZINC000737471133 598363719 /nfs/dbraw/zinc/36/37/19/598363719.db2.gz PBOGOXWBYXGJSD-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM c1cnc(-c2nnn[n-]2)c(NCc2ccnc(N3CCCCCC3)c2)n1 ZINC000738412180 598428208 /nfs/dbraw/zinc/42/82/08/598428208.db2.gz BQXRZXUIIOHWPL-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM c1cnc(-c2nn[n-]n2)c(NCc2ccnc(N3CCCCCC3)c2)n1 ZINC000738412180 598428209 /nfs/dbraw/zinc/42/82/09/598428209.db2.gz BQXRZXUIIOHWPL-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM CC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000557068707 674434675 /nfs/dbraw/zinc/43/46/75/674434675.db2.gz PLPRBHODILMORC-HNNXBMFYSA-N -1 1 366.414 2.127 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@H]2CCCCN12 ZINC000557088945 674435932 /nfs/dbraw/zinc/43/59/32/674435932.db2.gz FFGTWIMNRAZRCK-OLZOCXBDSA-N -1 1 352.387 2.004 20 0 FEADMM CCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n[nH]1 ZINC000736678126 598555701 /nfs/dbraw/zinc/55/57/01/598555701.db2.gz TUUIPJCVHLFKFP-UHFFFAOYSA-N -1 1 352.358 2.097 20 0 FEADMM CCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n[nH]1 ZINC000736678126 598555703 /nfs/dbraw/zinc/55/57/03/598555703.db2.gz TUUIPJCVHLFKFP-UHFFFAOYSA-N -1 1 352.358 2.097 20 0 FEADMM CCOC(=O)N[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)CC(C)C ZINC000736601391 598572775 /nfs/dbraw/zinc/57/27/75/598572775.db2.gz WQIDQKNTRAYLGU-JTQLQIEISA-N -1 1 367.841 2.488 20 0 FEADMM CCOC(=O)N[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)CC(C)C ZINC000736601391 598572776 /nfs/dbraw/zinc/57/27/76/598572776.db2.gz WQIDQKNTRAYLGU-JTQLQIEISA-N -1 1 367.841 2.488 20 0 FEADMM CCNC(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736576293 598575224 /nfs/dbraw/zinc/57/52/24/598575224.db2.gz PBKCAVWMUXBVOV-UHFFFAOYSA-N -1 1 357.805 2.277 20 0 FEADMM CCNC(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736576293 598575225 /nfs/dbraw/zinc/57/52/25/598575225.db2.gz PBKCAVWMUXBVOV-UHFFFAOYSA-N -1 1 357.805 2.277 20 0 FEADMM O=C(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)NCc1ccccc1 ZINC000737846455 598579774 /nfs/dbraw/zinc/57/97/74/598579774.db2.gz AFJUGASAEBOHNJ-UHFFFAOYSA-N -1 1 357.805 2.034 20 0 FEADMM O=C(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)NCc1ccccc1 ZINC000737846455 598579775 /nfs/dbraw/zinc/57/97/75/598579775.db2.gz AFJUGASAEBOHNJ-UHFFFAOYSA-N -1 1 357.805 2.034 20 0 FEADMM O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1sccc1-c1nn[n-]n1 ZINC000738251050 598662837 /nfs/dbraw/zinc/66/28/37/598662837.db2.gz MIYCVWRGYDZCLW-UHFFFAOYSA-N -1 1 369.406 2.383 20 0 FEADMM CN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736778596 598688154 /nfs/dbraw/zinc/68/81/54/598688154.db2.gz DDXHOALRJNOVIP-INIZCTEOSA-N -1 1 373.413 2.314 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737320718 598692183 /nfs/dbraw/zinc/69/21/83/598692183.db2.gz OELXRCMYSIMVRK-SECBINFHSA-N -1 1 367.431 2.415 20 0 FEADMM COc1ccc(C=O)cc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737084167 598719574 /nfs/dbraw/zinc/71/95/74/598719574.db2.gz YOUDONLMCOLFKE-UHFFFAOYSA-N -1 1 361.361 2.051 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2ccc(F)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000737239861 598779796 /nfs/dbraw/zinc/77/97/96/598779796.db2.gz CFJCZBRYVJPWTF-UHFFFAOYSA-N -1 1 373.344 2.320 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000819945742 607368689 /nfs/dbraw/zinc/36/86/89/607368689.db2.gz BRZJASMSXYLTGA-UHFFFAOYSA-N -1 1 353.382 2.032 20 0 FEADMM CC(C)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820043859 599359325 /nfs/dbraw/zinc/35/93/25/599359325.db2.gz BPHGGQLATLQXFR-UHFFFAOYSA-N -1 1 353.423 2.063 20 0 FEADMM CC(C)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820043859 599359322 /nfs/dbraw/zinc/35/93/22/599359322.db2.gz BPHGGQLATLQXFR-UHFFFAOYSA-N -1 1 353.423 2.063 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ncccn1 ZINC000823253880 599386166 /nfs/dbraw/zinc/38/61/66/599386166.db2.gz NUMQHJYUUOXNCU-UHFFFAOYSA-N -1 1 363.406 2.315 20 0 FEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1F ZINC000822694236 599402527 /nfs/dbraw/zinc/40/25/27/599402527.db2.gz ZKYUHMHPBQMYHE-HNNXBMFYSA-N -1 1 353.361 2.212 20 0 FEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1F ZINC000822694236 599402529 /nfs/dbraw/zinc/40/25/29/599402529.db2.gz ZKYUHMHPBQMYHE-HNNXBMFYSA-N -1 1 353.361 2.212 20 0 FEADMM O=C(Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1)[C@@H]1CCCO1 ZINC000823350518 599413605 /nfs/dbraw/zinc/41/36/05/599413605.db2.gz QEODRSHRPPCFBM-HNNXBMFYSA-N -1 1 354.370 2.189 20 0 FEADMM O=C(Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1)[C@@H]1CCCO1 ZINC000823350518 599413607 /nfs/dbraw/zinc/41/36/07/599413607.db2.gz QEODRSHRPPCFBM-HNNXBMFYSA-N -1 1 354.370 2.189 20 0 FEADMM O=c1ccccn1Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738379331 599417986 /nfs/dbraw/zinc/41/79/86/599417986.db2.gz GBHSCRBLZKQKPF-UHFFFAOYSA-N -1 1 359.393 2.084 20 0 FEADMM O=c1ccccn1Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000738379331 599417987 /nfs/dbraw/zinc/41/79/87/599417987.db2.gz GBHSCRBLZKQKPF-UHFFFAOYSA-N -1 1 359.393 2.084 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735625359 599418074 /nfs/dbraw/zinc/41/80/74/599418074.db2.gz DMZJYASVUXRSPW-LBPRGKRZSA-N -1 1 359.434 2.463 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735625359 599418075 /nfs/dbraw/zinc/41/80/75/599418075.db2.gz DMZJYASVUXRSPW-LBPRGKRZSA-N -1 1 359.434 2.463 20 0 FEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000736139757 599418571 /nfs/dbraw/zinc/41/85/71/599418571.db2.gz XNCFXHJBVUKDFT-LLVKDONJSA-N -1 1 351.370 2.391 20 0 FEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000736139757 599418574 /nfs/dbraw/zinc/41/85/74/599418574.db2.gz XNCFXHJBVUKDFT-LLVKDONJSA-N -1 1 351.370 2.391 20 0 FEADMM Cc1ccc(C(=O)NC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)s1 ZINC000737312249 599422956 /nfs/dbraw/zinc/42/29/56/599422956.db2.gz HCNBJYIMAHXRKQ-UHFFFAOYSA-N -1 1 369.454 2.030 20 0 FEADMM Cc1ccc(C(=O)NC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)s1 ZINC000737312249 599422961 /nfs/dbraw/zinc/42/29/61/599422961.db2.gz HCNBJYIMAHXRKQ-UHFFFAOYSA-N -1 1 369.454 2.030 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821970638 599472012 /nfs/dbraw/zinc/47/20/12/599472012.db2.gz PQSDGKXRUFKYPL-CABZTGNLSA-N -1 1 360.443 2.094 20 0 FEADMM O=C(CCNc1cc(-c2nnn[n-]2)nc2ccccc21)N1CCCCC1 ZINC000822969455 599483801 /nfs/dbraw/zinc/48/38/01/599483801.db2.gz OREWTBRQEZTZJH-UHFFFAOYSA-N -1 1 351.414 2.229 20 0 FEADMM O=C(CCNc1cc(-c2nn[n-]n2)nc2ccccc21)N1CCCCC1 ZINC000822969455 599483803 /nfs/dbraw/zinc/48/38/03/599483803.db2.gz OREWTBRQEZTZJH-UHFFFAOYSA-N -1 1 351.414 2.229 20 0 FEADMM CC(C)c1nnc2n1CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000820211750 599536499 /nfs/dbraw/zinc/53/64/99/599536499.db2.gz WDHGKJBXTKGCJX-UHFFFAOYSA-N -1 1 361.413 2.150 20 0 FEADMM CC(C)c1nnc2n1CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC000820211750 599536501 /nfs/dbraw/zinc/53/65/01/599536501.db2.gz WDHGKJBXTKGCJX-UHFFFAOYSA-N -1 1 361.413 2.150 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000822004312 599548864 /nfs/dbraw/zinc/54/88/64/599548864.db2.gz FMYFTZYKZVEXSH-GHMZBOCLSA-N -1 1 358.446 2.164 20 0 FEADMM COc1cccc([C@@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000821863945 599582974 /nfs/dbraw/zinc/58/29/74/599582974.db2.gz RRKHCQKPOYFAIP-SECBINFHSA-N -1 1 352.807 2.131 20 0 FEADMM COc1cccc([C@@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000821863945 599582976 /nfs/dbraw/zinc/58/29/76/599582976.db2.gz RRKHCQKPOYFAIP-SECBINFHSA-N -1 1 352.807 2.131 20 0 FEADMM C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736790423 599726875 /nfs/dbraw/zinc/72/68/75/599726875.db2.gz WQLDCKREJGQJFB-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM O=C([O-])NCCCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000739965572 599742451 /nfs/dbraw/zinc/74/24/51/599742451.db2.gz XRXFSXXSOYPHAP-UHFFFAOYSA-N -1 1 353.850 2.468 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000738348096 599780707 /nfs/dbraw/zinc/78/07/07/599780707.db2.gz XBLPLVUPHUZCGZ-OKILXGFUSA-N -1 1 354.472 2.234 20 0 FEADMM CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000544929306 599785641 /nfs/dbraw/zinc/78/56/41/599785641.db2.gz HUJUNPRQBHIWHI-CYBMUJFWSA-N -1 1 360.501 2.379 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000737085273 599792440 /nfs/dbraw/zinc/79/24/40/599792440.db2.gz IYFXFPSGBFYRHL-CQSZACIVSA-N -1 1 352.435 2.104 20 0 FEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812289 599827275 /nfs/dbraw/zinc/82/72/75/599827275.db2.gz VNKVUCLXJWWCKP-GJZGRUSLSA-N -1 1 363.458 2.325 20 0 FEADMM CC1CCC(OC2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)CC1 ZINC000566359136 599866824 /nfs/dbraw/zinc/86/68/24/599866824.db2.gz QLUIYJZDRYZYBZ-UHFFFAOYSA-N -1 1 366.502 2.369 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000736653273 599884134 /nfs/dbraw/zinc/88/41/34/599884134.db2.gz XNJLDLWUAHGHEU-NSHDSACASA-N -1 1 367.361 2.123 20 0 FEADMM O=C([O-])COc1cccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000539574642 599893348 /nfs/dbraw/zinc/89/33/48/599893348.db2.gz XGHJWKCFWCDXTJ-UHFFFAOYSA-N -1 1 370.340 2.004 20 0 FEADMM O=C([O-])COc1cccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000539574642 599893350 /nfs/dbraw/zinc/89/33/50/599893350.db2.gz XGHJWKCFWCDXTJ-UHFFFAOYSA-N -1 1 370.340 2.004 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(C)(C)C ZINC000737683733 599995045 /nfs/dbraw/zinc/99/50/45/599995045.db2.gz RTAPZZVUSRGUMA-NSHDSACASA-N -1 1 350.415 2.476 20 0 FEADMM COc1cccc([C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)c1 ZINC000738092152 600013249 /nfs/dbraw/zinc/01/32/49/600013249.db2.gz OCCAHJZBZLPFSO-PGEKIEPBSA-N -1 1 363.458 2.241 20 0 FEADMM CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1=O ZINC000632568541 677002448 /nfs/dbraw/zinc/00/24/48/677002448.db2.gz JDPJGJRKADPSNA-SECBINFHSA-N -1 1 350.387 2.143 20 0 FEADMM Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)sc1C(=O)[O-] ZINC000738364782 600054692 /nfs/dbraw/zinc/05/46/92/600054692.db2.gz WQDNUFHOOJWKGY-UHFFFAOYSA-N -1 1 370.408 2.112 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000740177920 600177969 /nfs/dbraw/zinc/17/79/69/600177969.db2.gz WOTWXQUVJJEFAG-UHFFFAOYSA-N -1 1 365.798 2.393 20 0 FEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000736768530 600201429 /nfs/dbraw/zinc/20/14/29/600201429.db2.gz KYDXCFLJHJIUJL-UHFFFAOYSA-N -1 1 373.453 2.046 20 0 FEADMM CNC(=O)c1cccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC000737550151 600284405 /nfs/dbraw/zinc/28/44/05/600284405.db2.gz DXDQXOVYBKXPCD-OAHLLOKOSA-N -1 1 367.449 2.455 20 0 FEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000740075038 600290307 /nfs/dbraw/zinc/29/03/07/600290307.db2.gz VLUJQNVZHKZAJJ-CABCVRRESA-N -1 1 367.833 2.101 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(C(=O)c1cccc(Br)c1O)CC2 ZINC000739533364 600318673 /nfs/dbraw/zinc/31/86/73/600318673.db2.gz AKJTVENNWWSGMQ-SNVBAGLBSA-N -1 1 354.200 2.482 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737358509 600346902 /nfs/dbraw/zinc/34/69/02/600346902.db2.gz NWODDNZHYNBUSH-JKSUJKDBSA-N -1 1 363.433 2.325 20 0 FEADMM COc1ccc(CNC(=O)N2C[C@H]3CCCCN3C[C@H]2C)cc1C(=O)[O-] ZINC000738001586 600359101 /nfs/dbraw/zinc/35/91/01/600359101.db2.gz HCKHELUIUXFFCT-UKRRQHHQSA-N -1 1 361.442 2.162 20 0 FEADMM CN1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000737524849 600376780 /nfs/dbraw/zinc/37/67/80/600376780.db2.gz YFOFESHVKNJJDZ-STQMWFEESA-N -1 1 360.332 2.311 20 0 FEADMM CC(C)N(CCC(=O)[O-])Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000736468375 600395203 /nfs/dbraw/zinc/39/52/03/600395203.db2.gz OWGQEMUJGZAUAC-UHFFFAOYSA-N -1 1 355.398 2.206 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c1C ZINC000558142098 674484818 /nfs/dbraw/zinc/48/48/18/674484818.db2.gz JLSXYPVZPHMDOH-UHFFFAOYSA-N -1 1 350.444 2.173 20 0 FEADMM CCC[C@](C)(NCC(=O)N(CC)Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736960797 600462509 /nfs/dbraw/zinc/46/25/09/600462509.db2.gz QJMUIQLCFKSARF-IBGZPJMESA-N -1 1 364.442 2.039 20 0 FEADMM C[C@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000736598005 600527962 /nfs/dbraw/zinc/52/79/62/600527962.db2.gz DKVQVQFEWHCSJS-CYBMUJFWSA-N -1 1 357.410 2.224 20 0 FEADMM CC[C@@](C)(NCC(=O)N1c2ccccc2NC(=O)C12CCCC2)C(=O)[O-] ZINC000736861922 600561575 /nfs/dbraw/zinc/56/15/75/600561575.db2.gz YJXUDPRQWPSCBJ-GOSISDBHSA-N -1 1 359.426 2.127 20 0 FEADMM C[C@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000736213974 600589103 /nfs/dbraw/zinc/58/91/03/600589103.db2.gz GSNDSGLZGKHOMB-OAHLLOKOSA-N -1 1 356.422 2.287 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O ZINC000736467647 600608500 /nfs/dbraw/zinc/60/85/00/600608500.db2.gz ABXJYNFNMCKVLE-QGZVFWFLSA-N -1 1 367.833 2.250 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])c[nH]1 ZINC000743255185 600675549 /nfs/dbraw/zinc/67/55/49/600675549.db2.gz BAYFFMRWANHIEM-UHFFFAOYSA-N -1 1 374.374 2.454 20 0 FEADMM C[C@@](O)(CN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736669497 600761560 /nfs/dbraw/zinc/76/15/60/600761560.db2.gz CBLIVHYHSCKOQK-SWLSCSKDSA-N -1 1 361.225 2.232 20 0 FEADMM Cc1cc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c(C(=O)[O-])[nH]1 ZINC000832896030 600839266 /nfs/dbraw/zinc/83/92/66/600839266.db2.gz DLIRFABEVSAAJO-UHFFFAOYSA-N -1 1 356.426 2.021 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1)C(=O)[O-] ZINC000826786111 600852450 /nfs/dbraw/zinc/85/24/50/600852450.db2.gz KQPKGVHKTYHRFT-SQNIBIBYSA-N -1 1 362.470 2.190 20 0 FEADMM O=C([O-])CCN(Cc1cnn(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000833235861 600860703 /nfs/dbraw/zinc/86/07/03/600860703.db2.gz IFAXPNRYNPVAFD-UHFFFAOYSA-N -1 1 364.833 2.376 20 0 FEADMM CCc1nsc(N2CCCN(Cc3cc(C(=O)[O-])oc3C)CC2)n1 ZINC000830351074 600862684 /nfs/dbraw/zinc/86/26/84/600862684.db2.gz QSCFVCOZKQBLAA-UHFFFAOYSA-N -1 1 350.444 2.412 20 0 FEADMM COC(=O)c1cc(NC(=O)CN2CCC[C@@H]3CCC[C@H]32)cc(C(=O)[O-])c1 ZINC000831269635 601018845 /nfs/dbraw/zinc/01/88/45/601018845.db2.gz NTIPWZOHYQTUBB-BLLLJJGKSA-N -1 1 360.410 2.374 20 0 FEADMM CC(C)[C@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CCS1 ZINC000826741266 601038188 /nfs/dbraw/zinc/03/81/88/601038188.db2.gz ATAVLPLPDWGPCS-OAHLLOKOSA-N -1 1 351.472 2.466 20 0 FEADMM COC(=O)c1cc(NC(=O)c2cn[nH]c2-c2ccncc2)cc(C(=O)[O-])c1 ZINC000831306071 601079893 /nfs/dbraw/zinc/07/98/93/601079893.db2.gz LFKGZBNJBPGRLM-UHFFFAOYSA-N -1 1 366.333 2.209 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)c(C(=O)[O-])c1 ZINC000832943337 601082978 /nfs/dbraw/zinc/08/29/78/601082978.db2.gz WGWWPOJAIRFQTI-NSHDSACASA-N -1 1 366.377 2.327 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000827356494 601087011 /nfs/dbraw/zinc/08/70/11/601087011.db2.gz SPWOQYMLFIZJBO-TZNOJPMFSA-N -1 1 371.231 2.063 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000630224849 601089056 /nfs/dbraw/zinc/08/90/56/601089056.db2.gz PKKAXEAPZYFIED-AWEZNQCLSA-N -1 1 367.449 2.345 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000832928414 601091242 /nfs/dbraw/zinc/09/12/42/601091242.db2.gz RBNWBRWITVJXOZ-KPFFTGBYSA-N -1 1 374.481 2.470 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000827355747 601107440 /nfs/dbraw/zinc/10/74/40/601107440.db2.gz MEJFAJZJYKOIEX-XVJNWHFHSA-N -1 1 353.422 2.255 20 0 FEADMM COc1ccc(CCC(=O)N2CCCN(C/C=C(\C)C(=O)[O-])CC2)cc1 ZINC000832293007 601161785 /nfs/dbraw/zinc/16/17/85/601161785.db2.gz VMQNTHHCDQJFPV-MHWRWJLKSA-N -1 1 360.454 2.193 20 0 FEADMM COC(=O)/C(C)=C\CN1CCN(C/C=C(/C)C(=O)[O-])C2(CCCCC2)C1 ZINC000831053933 601178347 /nfs/dbraw/zinc/17/83/47/601178347.db2.gz XBTAAFGKAGFYFB-FNHJTUOHSA-N -1 1 364.486 2.457 20 0 FEADMM Cc1nc([C@@H]2CN(C(=O)Nc3sc(C)c(C)c3C(=O)[O-])CCO2)n[nH]1 ZINC000832992054 601198142 /nfs/dbraw/zinc/19/81/42/601198142.db2.gz WFZDQZYIHGEKQY-JTQLQIEISA-N -1 1 365.415 2.095 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)c1ccnc(C(=O)[O-])c1)N1CCCC1 ZINC000832597081 601242354 /nfs/dbraw/zinc/24/23/54/601242354.db2.gz SZZFDHQKIUZVQS-KRWDZBQOSA-N -1 1 369.421 2.355 20 0 FEADMM O=C([O-])[C@@H](CNC(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000833132536 601313855 /nfs/dbraw/zinc/31/38/55/601313855.db2.gz DHJSWOBRXGEKRY-INIZCTEOSA-N -1 1 351.366 2.257 20 0 FEADMM COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000064479169 601326492 /nfs/dbraw/zinc/32/64/92/601326492.db2.gz RDGGHMGVUXNRAI-UHFFFAOYSA-N -1 1 350.327 2.205 20 0 FEADMM C[C@@H]1CN(Cc2csc(CNC(=O)c3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000828462540 601510578 /nfs/dbraw/zinc/51/05/78/601510578.db2.gz KQSIPOFAOCQAGU-DOMZBBRYSA-N -1 1 359.451 2.226 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)ccc1Br ZINC000111254885 601520849 /nfs/dbraw/zinc/52/08/49/601520849.db2.gz VBKHITOHBODULV-CMPLNLGQSA-N -1 1 355.232 2.349 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)n(-c2ccc(C)cc2)n1 ZINC000832909601 601530691 /nfs/dbraw/zinc/53/06/91/601530691.db2.gz PMURKMCULRJLEJ-CJNGLKHVSA-N -1 1 356.426 2.080 20 0 FEADMM Cc1cc(CNC2CN(C(=O)OC(C)(C)C)C2)cc(C)c1OCC(=O)[O-] ZINC000832883247 601560433 /nfs/dbraw/zinc/56/04/33/601560433.db2.gz VQHDZMHLEZHRLX-UHFFFAOYSA-N -1 1 364.442 2.476 20 0 FEADMM O=C([O-])CCN(Cc1ccncc1)C(=O)c1c[nH]c2ccccc2c1=O ZINC000833234367 601562601 /nfs/dbraw/zinc/56/26/01/601562601.db2.gz HTRYWFUOFNMOHV-UHFFFAOYSA-N -1 1 351.362 2.040 20 0 FEADMM O=C([O-])[C@]1(NC(=O)c2cc(C3CC3)on2)CCCN(Cc2ccccc2)C1 ZINC000833128433 601728298 /nfs/dbraw/zinc/72/82/98/601728298.db2.gz GFVKSNUNSFQYCV-FQEVSTJZSA-N -1 1 369.421 2.401 20 0 FEADMM O=C([O-])[C@H]1CCCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000262670230 601744080 /nfs/dbraw/zinc/74/40/80/601744080.db2.gz PBSRSXHOGQKYAG-LLVKDONJSA-N -1 1 352.188 2.405 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000829570948 601777731 /nfs/dbraw/zinc/77/77/31/601777731.db2.gz LWWAOGUMQBDCON-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])cc3)CCO2)n1 ZINC000829570948 601777732 /nfs/dbraw/zinc/77/77/32/601777732.db2.gz LWWAOGUMQBDCON-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CCO2)n[nH]1 ZINC000820329899 601791400 /nfs/dbraw/zinc/79/14/00/601791400.db2.gz BSNQMOLLMWHWGY-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CCO2)n1 ZINC000820329899 601791401 /nfs/dbraw/zinc/79/14/01/601791401.db2.gz BSNQMOLLMWHWGY-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM O=S(=O)([N-]Cc1nccnc1Cl)c1ccc(Cl)nc1Cl ZINC000809379765 674492258 /nfs/dbraw/zinc/49/22/58/674492258.db2.gz MDVZDICXAZUZGE-UHFFFAOYSA-N -1 1 353.618 2.310 20 0 FEADMM C[C@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000828019685 601849861 /nfs/dbraw/zinc/84/98/61/601849861.db2.gz AMSVYSQDGAGRKG-WBMJQRKESA-N -1 1 370.327 2.134 20 0 FEADMM C[C@H](NC(=O)[O-])C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000738994156 601855009 /nfs/dbraw/zinc/85/50/09/601855009.db2.gz JMBRGLJZGHVSGH-ZDUSSCGKSA-N -1 1 362.430 2.096 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832890701 601861219 /nfs/dbraw/zinc/86/12/19/601861219.db2.gz ASHKLYYIATYZRF-LJQANCHMSA-N -1 1 360.458 2.075 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000828020776 601913894 /nfs/dbraw/zinc/91/38/94/601913894.db2.gz WCMLEFMJUUXJKZ-IFXJQAMLSA-N -1 1 371.393 2.347 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000062936087 601928597 /nfs/dbraw/zinc/92/85/97/601928597.db2.gz KNKLAHRZRNAPPW-CYBMUJFWSA-N -1 1 356.176 2.389 20 0 FEADMM C[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738921440 602009761 /nfs/dbraw/zinc/00/97/61/602009761.db2.gz URKHEBBLPWWHPF-HZPDHXFCSA-N -1 1 374.485 2.122 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)n[nH]2)cc1OC ZINC000263220341 602017622 /nfs/dbraw/zinc/01/76/22/602017622.db2.gz YOHRGGFUBAHKLT-GOSISDBHSA-N -1 1 359.382 2.031 20 0 FEADMM C[C@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738914748 602096486 /nfs/dbraw/zinc/09/64/86/602096486.db2.gz FIDDJTULTOMLPF-QAPCUYQASA-N -1 1 374.485 2.217 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825845437 607550299 /nfs/dbraw/zinc/55/02/99/607550299.db2.gz IXFHKGDYTCOGEL-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825845437 607550302 /nfs/dbraw/zinc/55/03/02/607550302.db2.gz IXFHKGDYTCOGEL-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CN(C)C(=O)c1cc(NCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC000825846346 607550361 /nfs/dbraw/zinc/55/03/61/607550361.db2.gz XFHNGFBHHRNMAB-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CN(C)C(=O)c1cc(NCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC000825846346 607550362 /nfs/dbraw/zinc/55/03/62/607550362.db2.gz XFHNGFBHHRNMAB-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CCNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000829803904 602166467 /nfs/dbraw/zinc/16/64/67/602166467.db2.gz MLKPKYXKYASSNV-SFHVURJKSA-N -1 1 372.421 2.369 20 0 FEADMM COc1cc(OC)cc([C@H](NCc2cccc(C(=O)N(C)C)c2)C(=O)[O-])c1 ZINC000832058024 602167050 /nfs/dbraw/zinc/16/70/50/602167050.db2.gz UIIMREPUTGYXOA-SFHVURJKSA-N -1 1 372.421 2.321 20 0 FEADMM COCCOC(=O)Nc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826160192 607549130 /nfs/dbraw/zinc/54/91/30/607549130.db2.gz INPKDKMVDGPNCS-UHFFFAOYSA-N -1 1 369.385 2.069 20 0 FEADMM COCCOC(=O)Nc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826160192 607549131 /nfs/dbraw/zinc/54/91/31/607549131.db2.gz INPKDKMVDGPNCS-UHFFFAOYSA-N -1 1 369.385 2.069 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCc2sccc2C1 ZINC000739011685 602263368 /nfs/dbraw/zinc/26/33/68/602263368.db2.gz QPAPXRTYMDFDCL-TZMCWYRMSA-N -1 1 351.472 2.143 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000739006941 602274298 /nfs/dbraw/zinc/27/42/98/602274298.db2.gz GMPSUGOJZOGHCP-CZUORRHYSA-N -1 1 351.422 2.295 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000832636802 602380431 /nfs/dbraw/zinc/38/04/31/602380431.db2.gz FRWLURAQSGLERE-UHFFFAOYSA-N -1 1 374.372 2.282 20 0 FEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828451951 602387464 /nfs/dbraw/zinc/38/74/64/602387464.db2.gz XTRBPNZGKBKWEF-RYUDHWBXSA-N -1 1 353.394 2.145 20 0 FEADMM Cc1ccccc1C[C@H](C)NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740180615 602448610 /nfs/dbraw/zinc/44/86/10/602448610.db2.gz HQJJRIUWPWXWGR-HOTGVXAUSA-N -1 1 361.486 2.410 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000739947053 602464912 /nfs/dbraw/zinc/46/49/12/602464912.db2.gz NJYGYYUGPWBXPA-CQSZACIVSA-N -1 1 363.458 2.022 20 0 FEADMM CC(C)Oc1cccc(CNC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000738867365 602527570 /nfs/dbraw/zinc/52/75/70/602527570.db2.gz XLYKMSFONRETAH-INIZCTEOSA-N -1 1 363.458 2.022 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738627386 602534465 /nfs/dbraw/zinc/53/44/65/602534465.db2.gz GVRZYULRBLCKOZ-CHWSQXEVSA-N -1 1 353.850 2.276 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739351948 602578741 /nfs/dbraw/zinc/57/87/41/602578741.db2.gz RKIVBFLMKRQTHV-MRXNPFEDSA-N -1 1 351.422 2.248 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC000824929723 607574785 /nfs/dbraw/zinc/57/47/85/607574785.db2.gz YDRXGGNYEFBLIO-SCVCMEIPSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC000824929723 607574786 /nfs/dbraw/zinc/57/47/86/607574786.db2.gz YDRXGGNYEFBLIO-SCVCMEIPSA-N -1 1 353.423 2.109 20 0 FEADMM CC(C)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824191076 607574941 /nfs/dbraw/zinc/57/49/41/607574941.db2.gz CMWOWBNIQIVESR-QMMMGPOBSA-N -1 1 363.365 2.208 20 0 FEADMM COc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826217584 607575706 /nfs/dbraw/zinc/57/57/06/607575706.db2.gz UADNKDITIHEIOX-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM COc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826217584 607575707 /nfs/dbraw/zinc/57/57/07/607575707.db2.gz UADNKDITIHEIOX-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000738928206 602611701 /nfs/dbraw/zinc/61/17/01/602611701.db2.gz ODLGCZWAPIXWRA-ZIAGYGMSSA-N -1 1 352.435 2.104 20 0 FEADMM CC(C)c1noc([C@@H](C)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)n1 ZINC000738883804 602677768 /nfs/dbraw/zinc/67/77/68/602677768.db2.gz FAFCZVAINMDLJD-CQSZACIVSA-N -1 1 365.478 2.262 20 0 FEADMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000739155082 602754079 /nfs/dbraw/zinc/75/40/79/602754079.db2.gz RSKGXYOVAFLFKT-HUUCEWRRSA-N -1 1 364.446 2.200 20 0 FEADMM C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824377436 607584575 /nfs/dbraw/zinc/58/45/75/607584575.db2.gz DTWBOLLLZPELLB-SECBINFHSA-N -1 1 367.862 2.472 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)C2CC2)cc1 ZINC000740122654 602787167 /nfs/dbraw/zinc/78/71/67/602787167.db2.gz RYLOWGCDDZPVTQ-CRAIPNDOSA-N -1 1 359.470 2.464 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739441020 602799592 /nfs/dbraw/zinc/79/95/92/602799592.db2.gz JQFRTUOMCMDLLV-CJNGLKHVSA-N -1 1 351.422 2.152 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NC[C@@H](NC(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000740117215 602802138 /nfs/dbraw/zinc/80/21/38/602802138.db2.gz IKVUPQRKCVXROS-HUUCEWRRSA-N -1 1 366.462 2.316 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC(N(C)C(=O)[O-])CC2)ccc1F ZINC000737954016 602806599 /nfs/dbraw/zinc/80/65/99/602806599.db2.gz WGHOMBZYCHVANT-UHFFFAOYSA-N -1 1 366.437 2.171 20 0 FEADMM C[C@@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C[C@@H](C)N1C(=O)[O-] ZINC000739135159 602807257 /nfs/dbraw/zinc/80/72/57/602807257.db2.gz BNLRGLXHLZJOFQ-CHWSQXEVSA-N -1 1 366.437 2.170 20 0 FEADMM C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739175086 602839109 /nfs/dbraw/zinc/83/91/09/602839109.db2.gz BJEQEMKDTCVBFN-DVOMOZLQSA-N -1 1 356.850 2.290 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)c(Cl)c1 ZINC000740699714 602854359 /nfs/dbraw/zinc/85/43/59/602854359.db2.gz XITPNPVZNCRFMJ-ZDUSSCGKSA-N -1 1 372.772 2.462 20 0 FEADMM C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824936552 607596677 /nfs/dbraw/zinc/59/66/77/607596677.db2.gz JGMKALKMIVZLIW-MNOVXSKESA-N -1 1 353.423 2.110 20 0 FEADMM C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824936553 607596967 /nfs/dbraw/zinc/59/69/67/607596967.db2.gz JGMKALKMIVZLIW-QWRGUYRKSA-N -1 1 353.423 2.110 20 0 FEADMM CCOCCN1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)C[C@@H]1CC ZINC000739488205 602959443 /nfs/dbraw/zinc/95/94/43/602959443.db2.gz OEFRXNWMFDWCOE-KRWDZBQOSA-N -1 1 363.458 2.278 20 0 FEADMM O=Cc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826483796 607599446 /nfs/dbraw/zinc/59/94/46/607599446.db2.gz AFPFQFDSXHUQPK-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-])c1cccs1 ZINC000827993810 603003751 /nfs/dbraw/zinc/00/37/51/603003751.db2.gz GINMFXDADKILAJ-BFHYXJOUSA-N -1 1 368.503 2.476 20 0 FEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825147697 607600641 /nfs/dbraw/zinc/60/06/41/607600641.db2.gz LMUCMKKCIRBOJQ-CQSZACIVSA-N -1 1 361.402 2.435 20 0 FEADMM CCCc1nc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000737051662 603077292 /nfs/dbraw/zinc/07/72/92/603077292.db2.gz YAHORNVJZAHCPY-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)n1 ZINC000737051662 603077297 /nfs/dbraw/zinc/07/72/97/603077297.db2.gz YAHORNVJZAHCPY-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000740117249 603083264 /nfs/dbraw/zinc/08/32/64/603083264.db2.gz JACITVPUVJPTJV-HUUCEWRRSA-N -1 1 364.446 2.070 20 0 FEADMM CN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000739593576 603087518 /nfs/dbraw/zinc/08/75/18/603087518.db2.gz IMAKMSFJFPATHM-UHFFFAOYSA-N -1 1 354.410 2.462 20 0 FEADMM COC(=O)[C@@H](OC)c1ccccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000809851407 674516836 /nfs/dbraw/zinc/51/68/36/674516836.db2.gz YJHYCDXUAXPXBS-AWEZNQCLSA-N -1 1 368.411 2.161 20 0 FEADMM COC(=O)[C@@H](OC)c1ccccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000809851407 674516838 /nfs/dbraw/zinc/51/68/38/674516838.db2.gz YJHYCDXUAXPXBS-AWEZNQCLSA-N -1 1 368.411 2.161 20 0 FEADMM O=C([O-])NC1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000740559149 603111290 /nfs/dbraw/zinc/11/12/90/603111290.db2.gz WFECHTSNNWUEFW-UHFFFAOYSA-N -1 1 357.204 2.463 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000739960663 603181263 /nfs/dbraw/zinc/18/12/63/603181263.db2.gz AZXCSSOSSXAYGO-VBQJREDUSA-N -1 1 361.442 2.089 20 0 FEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000824915539 607614503 /nfs/dbraw/zinc/61/45/03/607614503.db2.gz GBLRPMWQCFRBHG-CKYFFXLPSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000824915539 607614505 /nfs/dbraw/zinc/61/45/05/607614505.db2.gz GBLRPMWQCFRBHG-CKYFFXLPSA-N -1 1 353.423 2.109 20 0 FEADMM Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740073697 603235772 /nfs/dbraw/zinc/23/57/72/603235772.db2.gz RNCLJLZAAQFKJI-OAHLLOKOSA-N -1 1 363.483 2.482 20 0 FEADMM CN(CCCNC(=O)[O-])[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000739677326 603258467 /nfs/dbraw/zinc/25/84/67/603258467.db2.gz WMICFEFYZVLGMX-ZDUSSCGKSA-N -1 1 359.348 2.400 20 0 FEADMM O=C([O-])N[C@H](C(=O)N1CCN(C2CCC2)CC1)c1cccc(Cl)c1 ZINC000740530580 603314796 /nfs/dbraw/zinc/31/47/96/603314796.db2.gz SLUUPGAYNVSZFP-HNNXBMFYSA-N -1 1 351.834 2.345 20 0 FEADMM Cc1nc([C@@H]2CN(C(=O)Nc3ccc([C@@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830678796 603456889 /nfs/dbraw/zinc/45/68/89/603456889.db2.gz QZPBSHZJUKDXKP-YGRLFVJLSA-N -1 1 374.401 2.047 20 0 FEADMM O=C([O-])N[C@H]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000832264311 603495951 /nfs/dbraw/zinc/49/59/51/603495951.db2.gz ZJBQRRWRLRMWSW-PBHICJAKSA-N -1 1 363.433 2.343 20 0 FEADMM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000827875996 603529334 /nfs/dbraw/zinc/52/93/34/603529334.db2.gz MTHPDTSDTUIQFE-VIFPVBQESA-N -1 1 367.203 2.150 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1ccc(F)cc1 ZINC000828137973 603531867 /nfs/dbraw/zinc/53/18/67/603531867.db2.gz PICICLSGVUJAKD-OAHLLOKOSA-N -1 1 368.453 2.364 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000825287329 603556053 /nfs/dbraw/zinc/55/60/53/603556053.db2.gz IWWUTJGUFBJUPY-LBPRGKRZSA-N -1 1 358.402 2.167 20 0 FEADMM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)O1 ZINC000826661846 603802154 /nfs/dbraw/zinc/80/21/54/603802154.db2.gz UDIOWMTZMPSZAP-CHWSQXEVSA-N -1 1 359.386 2.135 20 0 FEADMM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)O1 ZINC000826661846 603802159 /nfs/dbraw/zinc/80/21/59/603802159.db2.gz UDIOWMTZMPSZAP-CHWSQXEVSA-N -1 1 359.386 2.135 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1ccc(F)cc1 ZINC000828199629 603807081 /nfs/dbraw/zinc/80/70/81/603807081.db2.gz QDMCBBZEYREFEA-CVEARBPZSA-N -1 1 366.437 2.212 20 0 FEADMM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000831895960 603816366 /nfs/dbraw/zinc/81/63/66/603816366.db2.gz RLWDDPNCNACQRR-LRDDRELGSA-N -1 1 355.435 2.093 20 0 FEADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1O ZINC000832482399 603910103 /nfs/dbraw/zinc/91/01/03/603910103.db2.gz NTAYQZKQQFDCBE-KWQFWETISA-N -1 1 357.204 2.321 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C3CCSCC3)cc2)n1 ZINC000832729931 603910463 /nfs/dbraw/zinc/91/04/63/603910463.db2.gz LJYNMZKKYJGCNS-UHFFFAOYSA-N -1 1 361.427 2.321 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C3CCSCC3)cc2)n[nH]1 ZINC000832729931 603910466 /nfs/dbraw/zinc/91/04/66/603910466.db2.gz LJYNMZKKYJGCNS-UHFFFAOYSA-N -1 1 361.427 2.321 20 0 FEADMM CC(C)N(CC(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824288434 607674808 /nfs/dbraw/zinc/67/48/08/607674808.db2.gz GANXIVOKQQZROC-UHFFFAOYSA-N -1 1 365.793 2.184 20 0 FEADMM O=C([O-])NCCCOC1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000832633163 604151575 /nfs/dbraw/zinc/15/15/75/604151575.db2.gz PRRPOHHRILSCAA-UHFFFAOYSA-N -1 1 359.430 2.041 20 0 FEADMM COc1ccccc1CN(C)C(=O)CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829626012 604221811 /nfs/dbraw/zinc/22/18/11/604221811.db2.gz ALQXFEKUHLXQAY-GJZGRUSLSA-N -1 1 363.458 2.022 20 0 FEADMM C[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824566407 604357465 /nfs/dbraw/zinc/35/74/65/604357465.db2.gz ZRJQOUZTHKWAFR-VQHPVUNQSA-N -1 1 351.491 2.488 20 0 FEADMM COc1cc(-c2nnc(CNC(C)(C)CC(=O)[O-])o2)cc(OC)c1OC ZINC000831856426 604443771 /nfs/dbraw/zinc/44/37/71/604443771.db2.gz FCXPJWPUROZRCN-UHFFFAOYSA-N -1 1 365.386 2.105 20 0 FEADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000827012141 604444643 /nfs/dbraw/zinc/44/46/43/604444643.db2.gz UVHYUBMMXURUOQ-QGZVFWFLSA-N -1 1 357.410 2.197 20 0 FEADMM CCc1cc2c(C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000830224284 604515885 /nfs/dbraw/zinc/51/58/85/604515885.db2.gz KIJXNXSQZTXJLZ-HNNXBMFYSA-N -1 1 363.410 2.371 20 0 FEADMM CCc1cc2c(C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000830224284 604515889 /nfs/dbraw/zinc/51/58/89/604515889.db2.gz KIJXNXSQZTXJLZ-HNNXBMFYSA-N -1 1 363.410 2.371 20 0 FEADMM CN1CCC2(CCCN2S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000833697031 604552289 /nfs/dbraw/zinc/55/22/89/604552289.db2.gz BSNICFMNOSYCFF-UHFFFAOYSA-N -1 1 372.874 2.287 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(OCC(F)(F)F)c2)CC1 ZINC000827380719 604559415 /nfs/dbraw/zinc/55/94/15/604559415.db2.gz VZTRGUVQGOSFQR-GFCCVEGCSA-N -1 1 374.359 2.249 20 0 FEADMM C[C@H](Oc1ccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1)C(=O)[O-] ZINC000833537526 604644843 /nfs/dbraw/zinc/64/48/43/604644843.db2.gz KQNNTQMSVHOVDW-SMDDNHRTSA-N -1 1 374.359 2.134 20 0 FEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833612572 604687926 /nfs/dbraw/zinc/68/79/26/604687926.db2.gz VHCFQEFNSWKIKB-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(Br)c1O ZINC000833506186 604732688 /nfs/dbraw/zinc/73/26/88/604732688.db2.gz UWRBWFNGVWJKEE-LLVKDONJSA-N -1 1 360.204 2.105 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000833767684 604780626 /nfs/dbraw/zinc/78/06/26/604780626.db2.gz MFECVWSNCQINNL-ROUUACIJSA-N -1 1 365.389 2.342 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3CNC(=O)[O-])n[nH]2)cc1 ZINC000829233794 604781296 /nfs/dbraw/zinc/78/12/96/604781296.db2.gz GYXNMDWTYQMRIP-CYBMUJFWSA-N -1 1 358.398 2.348 20 0 FEADMM COc1ccccc1N1C(=O)C[C@H](N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833736613 604857448 /nfs/dbraw/zinc/85/74/48/604857448.db2.gz QQEJLQVFQQZLLQ-ZFWWWQNUSA-N -1 1 374.437 2.150 20 0 FEADMM CC(=O)N[C@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833396785 604866372 /nfs/dbraw/zinc/86/63/72/604866372.db2.gz ZDGMBIBHWNZFEV-OAHLLOKOSA-N -1 1 366.377 2.467 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833545873 604984059 /nfs/dbraw/zinc/98/40/59/604984059.db2.gz BAFVAQVYEDEDNT-PXAZEXFGSA-N -1 1 368.861 2.017 20 0 FEADMM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000833624160 605002805 /nfs/dbraw/zinc/00/28/05/605002805.db2.gz LEAORWGWWRROHF-HZMBPMFUSA-N -1 1 360.863 2.045 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n[nH]1 ZINC000833511921 605003420 /nfs/dbraw/zinc/00/34/20/605003420.db2.gz FISLXXNNOQNQHE-MRVPVSSYSA-N -1 1 372.834 2.319 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833614675 605018158 /nfs/dbraw/zinc/01/81/58/605018158.db2.gz RTCMPTPRRNHNSG-LLVKDONJSA-N -1 1 360.863 2.048 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(Cl)s1 ZINC000833622640 605045700 /nfs/dbraw/zinc/04/57/00/605045700.db2.gz DZXGHLOAQTZELP-NSHDSACASA-N -1 1 359.879 2.134 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccccc1Cl ZINC000833627343 605048139 /nfs/dbraw/zinc/04/81/39/605048139.db2.gz WKZHTSHVBRIWRC-ZDUSSCGKSA-N -1 1 353.850 2.073 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)c3ccc(OCC(=O)[O-])cc3)[nH]c21 ZINC000833716621 605059022 /nfs/dbraw/zinc/05/90/22/605059022.db2.gz OQVCBWBBAFBFAG-UHFFFAOYSA-N -1 1 369.333 2.065 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000824886183 607734109 /nfs/dbraw/zinc/73/41/09/607734109.db2.gz WLDBKTPSZDACOE-NEPJUHHUSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000824886183 607734110 /nfs/dbraw/zinc/73/41/10/607734110.db2.gz WLDBKTPSZDACOE-NEPJUHHUSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000833624016 605108887 /nfs/dbraw/zinc/10/88/87/605108887.db2.gz UHWHASFWUZAVSG-XBFCOCLRSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1F ZINC000833514182 605111092 /nfs/dbraw/zinc/11/10/92/605111092.db2.gz PRYDMQXEBOEIGB-QWHCGFSZSA-N -1 1 354.397 2.466 20 0 FEADMM CN(C(=O)CN[C@H](CCCO)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833685981 605146211 /nfs/dbraw/zinc/14/62/11/605146211.db2.gz OMKNLMDPTAEGJT-QGZVFWFLSA-N -1 1 356.422 2.451 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000833627530 605162341 /nfs/dbraw/zinc/16/23/41/605162341.db2.gz XPWVCFMGBIFYFV-INIZCTEOSA-N -1 1 374.485 2.083 20 0 FEADMM CN(C(=O)CN[C@H](c1cnn(C)c1)C(C)(C)C)c1ccccc1C(=O)[O-] ZINC000833685777 605177030 /nfs/dbraw/zinc/17/70/30/605177030.db2.gz LYMRCKJEQIDZIM-QGZVFWFLSA-N -1 1 358.442 2.458 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000833469882 605266720 /nfs/dbraw/zinc/26/67/20/605266720.db2.gz ZUDAZVUNIUIREO-CABCVRRESA-N -1 1 371.441 2.470 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000833469882 605266723 /nfs/dbraw/zinc/26/67/23/605266723.db2.gz ZUDAZVUNIUIREO-CABCVRRESA-N -1 1 371.441 2.470 20 0 FEADMM O=C([O-])N(CC(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000831446679 605321709 /nfs/dbraw/zinc/32/17/09/605321709.db2.gz UGBYNTQNZGNUAN-UHFFFAOYSA-N -1 1 368.437 2.347 20 0 FEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3cccc4cn[nH]c43)cc2C1 ZINC000834193305 605329838 /nfs/dbraw/zinc/32/98/38/605329838.db2.gz JQRJZEXJLLQGPX-GFCCVEGCSA-N -1 1 351.366 2.335 20 0 FEADMM O=C([O-])N1CC[C@H](C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834070508 605374727 /nfs/dbraw/zinc/37/47/27/605374727.db2.gz AVWGCNAXJBOHNL-CABCVRRESA-N -1 1 369.425 2.178 20 0 FEADMM CN(C)[C@@H](CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000827994884 605616974 /nfs/dbraw/zinc/61/69/74/605616974.db2.gz OJYRZBCUPCGABD-CABCVRRESA-N -1 1 369.462 2.030 20 0 FEADMM O=C([O-])N1CC(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)C1 ZINC000834015554 605619218 /nfs/dbraw/zinc/61/92/18/605619218.db2.gz RBROJSGPICLCFB-QGZVFWFLSA-N -1 1 350.378 2.378 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)n[nH]1 ZINC000830029558 605621699 /nfs/dbraw/zinc/62/16/99/605621699.db2.gz HXFXNPSGOKLIBY-ABAIWWIYSA-N -1 1 351.451 2.165 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826472790 607771651 /nfs/dbraw/zinc/77/16/51/607771651.db2.gz XCNGGYBZTHIRJC-LBPRGKRZSA-N -1 1 370.800 2.209 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826472790 607771652 /nfs/dbraw/zinc/77/16/52/607771652.db2.gz XCNGGYBZTHIRJC-LBPRGKRZSA-N -1 1 370.800 2.209 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)[C@@H]1CCCOC1 ZINC000559070991 674526742 /nfs/dbraw/zinc/52/67/42/674526742.db2.gz HGTQJRXWMRETOE-NVXWUHKLSA-N -1 1 369.483 2.081 20 0 FEADMM Cc1oc(-c2cccs2)nc1CONC(=N)[C@@H]1COCCN1C(=O)[O-] ZINC000833934340 605730580 /nfs/dbraw/zinc/73/05/80/605730580.db2.gz HAZWJFLUTFZPQU-NSHDSACASA-N -1 1 366.399 2.089 20 0 FEADMM CC[C@]1(C(=O)NCc2ccc(F)c(CN(C)C)c2)CCCN1C(=O)[O-] ZINC000833844663 605769476 /nfs/dbraw/zinc/76/94/76/605769476.db2.gz UPSBFSZHTSAKJA-GOSISDBHSA-N -1 1 351.422 2.426 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827943 605879930 /nfs/dbraw/zinc/87/99/30/605879930.db2.gz CJIUXRMLZMIDAB-LALPHHSUSA-N -1 1 351.834 2.423 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827943 605879933 /nfs/dbraw/zinc/87/99/33/605879933.db2.gz CJIUXRMLZMIDAB-LALPHHSUSA-N -1 1 351.834 2.423 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000833831034 605890222 /nfs/dbraw/zinc/89/02/22/605890222.db2.gz MIAGWZMTEHRIEO-GHMZBOCLSA-N -1 1 359.879 2.338 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000833833495 605905924 /nfs/dbraw/zinc/90/59/24/605905924.db2.gz YQNRCNJSASZYQG-NEPJUHHUSA-N -1 1 371.840 2.416 20 0 FEADMM O=C([O-])N1CCC(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000834076625 605982151 /nfs/dbraw/zinc/98/21/51/605982151.db2.gz AKXLSIJSYKOWSB-CQSZACIVSA-N -1 1 356.419 2.024 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000819923405 606100785 /nfs/dbraw/zinc/10/07/85/606100785.db2.gz ZWFCONQITYLQBD-SSDOTTSWSA-N -1 1 356.839 2.145 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000819923405 606100788 /nfs/dbraw/zinc/10/07/88/606100788.db2.gz ZWFCONQITYLQBD-SSDOTTSWSA-N -1 1 356.839 2.145 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821449569 606103426 /nfs/dbraw/zinc/10/34/26/606103426.db2.gz VFIYJVNUUSGZQH-OCKKGZKQSA-N -1 1 371.470 2.302 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821449569 606103428 /nfs/dbraw/zinc/10/34/28/606103428.db2.gz VFIYJVNUUSGZQH-OCKKGZKQSA-N -1 1 371.470 2.302 20 0 FEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(C)(C)C ZINC000820026122 606133545 /nfs/dbraw/zinc/13/35/45/606133545.db2.gz ICRRCKFLZZIEKG-LLVKDONJSA-N -1 1 351.432 2.024 20 0 FEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(C)(C)C ZINC000820026122 606133546 /nfs/dbraw/zinc/13/35/46/606133546.db2.gz ICRRCKFLZZIEKG-LLVKDONJSA-N -1 1 351.432 2.024 20 0 FEADMM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC000820698682 606135511 /nfs/dbraw/zinc/13/55/11/606135511.db2.gz VYOJVGDABCHBAW-OUAUKWLOSA-N -1 1 363.443 2.026 20 0 FEADMM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820698682 606135512 /nfs/dbraw/zinc/13/55/12/606135512.db2.gz VYOJVGDABCHBAW-OUAUKWLOSA-N -1 1 363.443 2.026 20 0 FEADMM COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821896759 606136358 /nfs/dbraw/zinc/13/63/58/606136358.db2.gz AUCQFICDSZJSJG-VIFPVBQESA-N -1 1 373.394 2.121 20 0 FEADMM COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821896759 606136360 /nfs/dbraw/zinc/13/63/60/606136360.db2.gz AUCQFICDSZJSJG-VIFPVBQESA-N -1 1 373.394 2.121 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822423798 606137023 /nfs/dbraw/zinc/13/70/23/606137023.db2.gz OQSAKUBMWGWWEX-SNVBAGLBSA-N -1 1 367.413 2.285 20 0 FEADMM Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822350759 606164209 /nfs/dbraw/zinc/16/42/09/606164209.db2.gz GQEMJBMVWWWFNY-AWEZNQCLSA-N -1 1 352.402 2.278 20 0 FEADMM Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822350759 606164211 /nfs/dbraw/zinc/16/42/11/606164211.db2.gz GQEMJBMVWWWFNY-AWEZNQCLSA-N -1 1 352.402 2.278 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@H]2Cc2ccccc2)n1 ZINC000822609384 606172992 /nfs/dbraw/zinc/17/29/92/606172992.db2.gz NBYSCKZUUIGZLZ-AWEZNQCLSA-N -1 1 366.429 2.229 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@H]2Cc2ccccc2)n1 ZINC000822609384 606172993 /nfs/dbraw/zinc/17/29/93/606172993.db2.gz NBYSCKZUUIGZLZ-AWEZNQCLSA-N -1 1 366.429 2.229 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000822540475 606182442 /nfs/dbraw/zinc/18/24/42/606182442.db2.gz BGHYRALZEOBMCM-ZYHUDNBSSA-N -1 1 357.370 2.141 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000822540475 606182443 /nfs/dbraw/zinc/18/24/43/606182443.db2.gz BGHYRALZEOBMCM-ZYHUDNBSSA-N -1 1 357.370 2.141 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726992 606187932 /nfs/dbraw/zinc/18/79/32/606187932.db2.gz DZWPSEVGBSUDRI-QFYYESIMSA-N -1 1 352.373 2.454 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726992 606187934 /nfs/dbraw/zinc/18/79/34/606187934.db2.gz DZWPSEVGBSUDRI-QFYYESIMSA-N -1 1 352.373 2.454 20 0 FEADMM CCCC(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821000695 606215868 /nfs/dbraw/zinc/21/58/68/606215868.db2.gz HYXKTRDZPLJJLY-ZDUSSCGKSA-N -1 1 365.441 2.300 20 0 FEADMM CCCC(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821000695 606215870 /nfs/dbraw/zinc/21/58/70/606215870.db2.gz HYXKTRDZPLJJLY-ZDUSSCGKSA-N -1 1 365.441 2.300 20 0 FEADMM COc1ccc(Cl)cc1NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821827452 606293883 /nfs/dbraw/zinc/29/38/83/606293883.db2.gz BFPKZNZSWQKZGJ-UHFFFAOYSA-N -1 1 374.788 2.285 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC[C@@H]1CCCO1 ZINC000822540798 606437990 /nfs/dbraw/zinc/43/79/90/606437990.db2.gz GYJHPWJREXFXHF-LBPRGKRZSA-N -1 1 357.370 2.285 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC[C@@H]1CCCO1 ZINC000822540798 606437991 /nfs/dbraw/zinc/43/79/91/606437991.db2.gz GYJHPWJREXFXHF-LBPRGKRZSA-N -1 1 357.370 2.285 20 0 FEADMM CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821942718 606455635 /nfs/dbraw/zinc/45/56/35/606455635.db2.gz PXNCOONMWCVJTH-UHFFFAOYSA-N -1 1 351.775 2.111 20 0 FEADMM CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821942718 606455636 /nfs/dbraw/zinc/45/56/36/606455636.db2.gz PXNCOONMWCVJTH-UHFFFAOYSA-N -1 1 351.775 2.111 20 0 FEADMM CN(Cc1ccc([S@@](C)=O)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821612243 606477243 /nfs/dbraw/zinc/47/72/43/606477243.db2.gz OJNMEHKPJQTVES-HSZRJFAPSA-N -1 1 368.875 2.350 20 0 FEADMM CN(Cc1ccc([S@@](C)=O)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821612243 606477245 /nfs/dbraw/zinc/47/72/45/606477245.db2.gz OJNMEHKPJQTVES-HSZRJFAPSA-N -1 1 368.875 2.350 20 0 FEADMM COc1ccc(OCCN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821841371 606495308 /nfs/dbraw/zinc/49/53/08/606495308.db2.gz IOFDRLVJCLFPEE-UHFFFAOYSA-N -1 1 359.411 2.088 20 0 FEADMM COc1ccc(OCCN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821841371 606495309 /nfs/dbraw/zinc/49/53/09/606495309.db2.gz IOFDRLVJCLFPEE-UHFFFAOYSA-N -1 1 359.411 2.088 20 0 FEADMM O=C(Nc1ccccc1N1CCCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823372927 606497762 /nfs/dbraw/zinc/49/77/62/606497762.db2.gz NSAFDPAJCZHPFY-UHFFFAOYSA-N -1 1 354.395 2.307 20 0 FEADMM O=C(Nc1ccccc1N1CCCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823372927 606497763 /nfs/dbraw/zinc/49/77/63/606497763.db2.gz NSAFDPAJCZHPFY-UHFFFAOYSA-N -1 1 354.395 2.307 20 0 FEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000822693435 606497774 /nfs/dbraw/zinc/49/77/74/606497774.db2.gz DMJOBZSBPCJLQR-CQSZACIVSA-N -1 1 365.422 2.181 20 0 FEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822693435 606497776 /nfs/dbraw/zinc/49/77/76/606497776.db2.gz DMJOBZSBPCJLQR-CQSZACIVSA-N -1 1 365.422 2.181 20 0 FEADMM O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823367198 606497871 /nfs/dbraw/zinc/49/78/71/606497871.db2.gz FUKJTTKGIINOOY-UHFFFAOYSA-N -1 1 368.422 2.417 20 0 FEADMM O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823367198 606497873 /nfs/dbraw/zinc/49/78/73/606497873.db2.gz FUKJTTKGIINOOY-UHFFFAOYSA-N -1 1 368.422 2.417 20 0 FEADMM O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823171075 606510739 /nfs/dbraw/zinc/51/07/39/606510739.db2.gz NZFOXUVSPWDEIP-UHFFFAOYSA-N -1 1 369.450 2.406 20 0 FEADMM O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823171075 606510740 /nfs/dbraw/zinc/51/07/40/606510740.db2.gz NZFOXUVSPWDEIP-UHFFFAOYSA-N -1 1 369.450 2.406 20 0 FEADMM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823299295 606514203 /nfs/dbraw/zinc/51/42/03/606514203.db2.gz QIVJWFCEZQWXER-UHFFFAOYSA-N -1 1 356.289 2.300 20 0 FEADMM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823299295 606514204 /nfs/dbraw/zinc/51/42/04/606514204.db2.gz QIVJWFCEZQWXER-UHFFFAOYSA-N -1 1 356.289 2.300 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(C2CC2)no1 ZINC000820025885 606548548 /nfs/dbraw/zinc/54/85/48/606548548.db2.gz DYPPFZPAQGYVFA-LLVKDONJSA-N -1 1 359.415 2.316 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(C2CC2)no1 ZINC000820025885 606548551 /nfs/dbraw/zinc/54/85/51/606548551.db2.gz DYPPFZPAQGYVFA-LLVKDONJSA-N -1 1 359.415 2.316 20 0 FEADMM COc1cc2nc(NC(=O)c3ccc(-c4nnn[n-]4)s3)[nH]c2cc1OC ZINC000821727266 606560690 /nfs/dbraw/zinc/56/06/90/606560690.db2.gz GKZRZMBBILMVNX-UHFFFAOYSA-N -1 1 371.382 2.074 20 0 FEADMM COc1cc2nc(NC(=O)c3ccc(-c4nn[n-]n4)s3)[nH]c2cc1OC ZINC000821727266 606560692 /nfs/dbraw/zinc/56/06/92/606560692.db2.gz GKZRZMBBILMVNX-UHFFFAOYSA-N -1 1 371.382 2.074 20 0 FEADMM Cc1ccnc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000822378645 606625837 /nfs/dbraw/zinc/62/58/37/606625837.db2.gz CELCNMDKHZXVFD-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM Cc1ccnc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000822378645 606625838 /nfs/dbraw/zinc/62/58/38/606625838.db2.gz CELCNMDKHZXVFD-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823436468 606647717 /nfs/dbraw/zinc/64/77/17/606647717.db2.gz WSQAYUYBWWVQGL-VXGBXAGGSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823436468 606647718 /nfs/dbraw/zinc/64/77/18/606647718.db2.gz WSQAYUYBWWVQGL-VXGBXAGGSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(CCC(=O)c1ccc(F)cc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822946101 606648101 /nfs/dbraw/zinc/64/81/01/606648101.db2.gz VAPRDGOBMUNDEO-UHFFFAOYSA-N -1 1 373.319 2.246 20 0 FEADMM O=C(CCC(=O)c1ccc(F)cc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822946101 606648102 /nfs/dbraw/zinc/64/81/02/606648102.db2.gz VAPRDGOBMUNDEO-UHFFFAOYSA-N -1 1 373.319 2.246 20 0 FEADMM Cn1cc(-c2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)cn1 ZINC000822604390 606648842 /nfs/dbraw/zinc/64/88/42/606648842.db2.gz DWQXMWLXXRIGEE-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM Cn1cc(-c2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)cn1 ZINC000822604390 606648843 /nfs/dbraw/zinc/64/88/43/606648843.db2.gz DWQXMWLXXRIGEE-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM COc1ccc(SCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821845178 606649303 /nfs/dbraw/zinc/64/93/03/606649303.db2.gz CHDROANHSPTKJT-UHFFFAOYSA-N -1 1 371.422 2.496 20 0 FEADMM COc1ccc(SCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821845178 606649304 /nfs/dbraw/zinc/64/93/04/606649304.db2.gz CHDROANHSPTKJT-UHFFFAOYSA-N -1 1 371.422 2.496 20 0 FEADMM CCOc1ccc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821417739 606651921 /nfs/dbraw/zinc/65/19/21/606651921.db2.gz QUKBCAKMMHANEQ-UHFFFAOYSA-N -1 1 353.382 2.336 20 0 FEADMM CCOc1ccc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821417739 606651922 /nfs/dbraw/zinc/65/19/22/606651922.db2.gz QUKBCAKMMHANEQ-UHFFFAOYSA-N -1 1 353.382 2.336 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823436514 606653151 /nfs/dbraw/zinc/65/31/51/606653151.db2.gz ZAGJYTPDVMPIIQ-MNOVXSKESA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823436514 606653152 /nfs/dbraw/zinc/65/31/52/606653152.db2.gz ZAGJYTPDVMPIIQ-MNOVXSKESA-N -1 1 357.320 2.387 20 0 FEADMM FC(F)(F)c1ccc(OCCNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000822728768 606723703 /nfs/dbraw/zinc/72/37/03/606723703.db2.gz MEWIUZGLHBJYNP-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1ccc(OCCNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000822728768 606723704 /nfs/dbraw/zinc/72/37/04/606723704.db2.gz MEWIUZGLHBJYNP-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000822308749 606764010 /nfs/dbraw/zinc/76/40/10/606764010.db2.gz JIBGLBXTPRPESV-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1cccc2c1N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000822340907 606764207 /nfs/dbraw/zinc/76/42/07/606764207.db2.gz MTZNAWVNUJPTCZ-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM O=C(CCc1nc(C2CCCC2)no1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822986974 606817581 /nfs/dbraw/zinc/81/75/81/606817581.db2.gz OZJYGYHXNAVSAH-UHFFFAOYSA-N -1 1 369.385 2.184 20 0 FEADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821656076 606874197 /nfs/dbraw/zinc/87/41/97/606874197.db2.gz XHVYFGARRRBHSC-MNOVXSKESA-N -1 1 363.443 2.170 20 0 FEADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821656076 606874198 /nfs/dbraw/zinc/87/41/98/606874198.db2.gz XHVYFGARRRBHSC-MNOVXSKESA-N -1 1 363.443 2.170 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000820438571 606889654 /nfs/dbraw/zinc/88/96/54/606889654.db2.gz SDLZQSLRMATORM-VIFPVBQESA-N -1 1 365.365 2.184 20 0 FEADMM CCC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821039134 606895397 /nfs/dbraw/zinc/89/53/97/606895397.db2.gz AMAIWDWGQBSZDZ-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM CCC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821041131 606914047 /nfs/dbraw/zinc/91/40/47/606914047.db2.gz ZNYPIYJALDBTII-SNVBAGLBSA-N -1 1 362.459 2.342 20 0 FEADMM O=C(Cc1csc(-c2ccccn2)n1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823118554 607024918 /nfs/dbraw/zinc/02/49/18/607024918.db2.gz FKWCMABBLYBBPV-UHFFFAOYSA-N -1 1 370.423 2.023 20 0 FEADMM O=C(Cc1csc(-c2ccccn2)n1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823118554 607024920 /nfs/dbraw/zinc/02/49/20/607024920.db2.gz FKWCMABBLYBBPV-UHFFFAOYSA-N -1 1 370.423 2.023 20 0 FEADMM CC(C)NC(=O)Nc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820138537 607103153 /nfs/dbraw/zinc/10/31/53/607103153.db2.gz VWKNRQNNCKMBEP-UHFFFAOYSA-N -1 1 372.414 2.105 20 0 FEADMM CC(C)NC(=O)Nc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820138537 607103154 /nfs/dbraw/zinc/10/31/54/607103154.db2.gz VWKNRQNNCKMBEP-UHFFFAOYSA-N -1 1 372.414 2.105 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1-c1ccc(F)cc1 ZINC000822020775 607104642 /nfs/dbraw/zinc/10/46/42/607104642.db2.gz ISMSTDKVCITKLI-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1-c1ccc(F)cc1 ZINC000822020775 607104644 /nfs/dbraw/zinc/10/46/44/607104644.db2.gz ISMSTDKVCITKLI-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccn(-c2ccccc2Cl)n1 ZINC000823383112 607108939 /nfs/dbraw/zinc/10/89/39/607108939.db2.gz LSBWYDDDFNUPDG-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccn(-c2ccccc2Cl)n1 ZINC000823383112 607108941 /nfs/dbraw/zinc/10/89/41/607108941.db2.gz LSBWYDDDFNUPDG-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM CC[C@H](C[C@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820882208 607186952 /nfs/dbraw/zinc/18/69/52/607186952.db2.gz MISYJJKANHLXLH-WCQYABFASA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@H](C[C@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820882208 607186953 /nfs/dbraw/zinc/18/69/53/607186953.db2.gz MISYJJKANHLXLH-WCQYABFASA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@H](C)Sc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000820882251 607212197 /nfs/dbraw/zinc/21/21/97/607212197.db2.gz NIIIZAXJRNBJGK-NSHDSACASA-N -1 1 372.458 2.296 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525861 607222529 /nfs/dbraw/zinc/22/25/29/607222529.db2.gz UWZDTSKYPJKBOT-HOCLYGCPSA-N -1 1 368.441 2.406 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525861 607222530 /nfs/dbraw/zinc/22/25/30/607222530.db2.gz UWZDTSKYPJKBOT-HOCLYGCPSA-N -1 1 368.441 2.406 20 0 FEADMM Cc1ccc(CN(C(=O)COc2cccc(F)c2-c2nnn[n-]2)C2CC2)o1 ZINC000826287620 607863432 /nfs/dbraw/zinc/86/34/32/607863432.db2.gz WKRCXOJPZBBFKM-UHFFFAOYSA-N -1 1 371.372 2.477 20 0 FEADMM Cc1ccc(CN(C(=O)COc2cccc(F)c2-c2nn[n-]n2)C2CC2)o1 ZINC000826287620 607863433 /nfs/dbraw/zinc/86/34/33/607863433.db2.gz WKRCXOJPZBBFKM-UHFFFAOYSA-N -1 1 371.372 2.477 20 0 FEADMM Cc1ccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826287875 607863673 /nfs/dbraw/zinc/86/36/73/607863673.db2.gz HNQQLEBNYMAQGE-UHFFFAOYSA-N -1 1 359.336 2.149 20 0 FEADMM Cc1ccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826287875 607863674 /nfs/dbraw/zinc/86/36/74/607863674.db2.gz HNQQLEBNYMAQGE-UHFFFAOYSA-N -1 1 359.336 2.149 20 0 FEADMM CN(Cc1ccccc1F)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825980892 607866332 /nfs/dbraw/zinc/86/63/32/607866332.db2.gz KXSFQWVWQLBFQK-UHFFFAOYSA-N -1 1 359.336 2.182 20 0 FEADMM CN(Cc1ccccc1F)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825980892 607866333 /nfs/dbraw/zinc/86/63/33/607866333.db2.gz KXSFQWVWQLBFQK-UHFFFAOYSA-N -1 1 359.336 2.182 20 0 FEADMM CCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000825718265 607867417 /nfs/dbraw/zinc/86/74/17/607867417.db2.gz YEKUGJSJHDGSDL-UHFFFAOYSA-N -1 1 354.388 2.397 20 0 FEADMM CCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000825718265 607867418 /nfs/dbraw/zinc/86/74/18/607867418.db2.gz YEKUGJSJHDGSDL-UHFFFAOYSA-N -1 1 354.388 2.397 20 0 FEADMM CSc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826230594 607867583 /nfs/dbraw/zinc/86/75/83/607867583.db2.gz AQLHCSZOJRZGOC-UHFFFAOYSA-N -1 1 366.399 2.495 20 0 FEADMM CSc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826230594 607867584 /nfs/dbraw/zinc/86/75/84/607867584.db2.gz AQLHCSZOJRZGOC-UHFFFAOYSA-N -1 1 366.399 2.495 20 0 FEADMM O[C@@H](COc1ccc(Cl)cc1)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826505163 607875206 /nfs/dbraw/zinc/87/52/06/607875206.db2.gz OIASNBCXFOTABX-NSHDSACASA-N -1 1 364.764 2.478 20 0 FEADMM O[C@@H](COc1ccc(Cl)cc1)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826505163 607875207 /nfs/dbraw/zinc/87/52/07/607875207.db2.gz OIASNBCXFOTABX-NSHDSACASA-N -1 1 364.764 2.478 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824109660 607902604 /nfs/dbraw/zinc/90/26/04/607902604.db2.gz VHYJCYMMAWVDTO-LBPRGKRZSA-N -1 1 359.434 2.145 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824109660 607902605 /nfs/dbraw/zinc/90/26/05/607902605.db2.gz VHYJCYMMAWVDTO-LBPRGKRZSA-N -1 1 359.434 2.145 20 0 FEADMM CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000823972452 607956272 /nfs/dbraw/zinc/95/62/72/607956272.db2.gz BNSLBDIGNRMQJQ-LBPRGKRZSA-N -1 1 368.422 2.156 20 0 FEADMM CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000823972452 607956273 /nfs/dbraw/zinc/95/62/73/607956273.db2.gz BNSLBDIGNRMQJQ-LBPRGKRZSA-N -1 1 368.422 2.156 20 0 FEADMM CC1(C)CC(C)(C)c2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc21 ZINC000824789587 608003115 /nfs/dbraw/zinc/00/31/15/608003115.db2.gz HNHJONODNKMNEL-UHFFFAOYSA-N -1 1 366.429 2.056 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492953 608054529 /nfs/dbraw/zinc/05/45/29/608054529.db2.gz MXMNTVUMFPPTFL-UHFFFAOYSA-N -1 1 367.394 2.058 20 0 FEADMM Cc1nccc([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000826330270 608179433 /nfs/dbraw/zinc/17/94/33/608179433.db2.gz MOKZTBUSIXGMPQ-VIFPVBQESA-N -1 1 362.850 2.459 20 0 FEADMM Cc1nccc([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000826330270 608179434 /nfs/dbraw/zinc/17/94/34/608179434.db2.gz MOKZTBUSIXGMPQ-VIFPVBQESA-N -1 1 362.850 2.459 20 0 FEADMM Cc1nnc([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)o1 ZINC000826335573 608181285 /nfs/dbraw/zinc/18/12/85/608181285.db2.gz SIJYRAMKYMPEPY-ZETCQYMHSA-N -1 1 352.811 2.052 20 0 FEADMM Cc1nnc([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)o1 ZINC000826335573 608181287 /nfs/dbraw/zinc/18/12/87/608181287.db2.gz SIJYRAMKYMPEPY-ZETCQYMHSA-N -1 1 352.811 2.052 20 0 FEADMM C[C@@H](Oc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000824737841 608185118 /nfs/dbraw/zinc/18/51/18/608185118.db2.gz KGYYLIGFNJKAOW-ZCFIWIBFSA-N -1 1 366.790 2.022 20 0 FEADMM Cc1ccccc1-c1nc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000826305456 608193847 /nfs/dbraw/zinc/19/38/47/608193847.db2.gz XIRCQSSOMQFCPS-UHFFFAOYSA-N -1 1 367.394 2.217 20 0 FEADMM Cc1ccccc1-c1nc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000826305456 608193849 /nfs/dbraw/zinc/19/38/49/608193849.db2.gz XIRCQSSOMQFCPS-UHFFFAOYSA-N -1 1 367.394 2.217 20 0 FEADMM CCC[C@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825259721 608236429 /nfs/dbraw/zinc/23/64/29/608236429.db2.gz KOFZKIKFBMOVEX-GFCCVEGCSA-N -1 1 373.891 2.384 20 0 FEADMM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826212372 608251271 /nfs/dbraw/zinc/25/12/71/608251271.db2.gz ONUDLFHFJYYSPY-UHFFFAOYSA-N -1 1 350.382 2.253 20 0 FEADMM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826212372 608251272 /nfs/dbraw/zinc/25/12/72/608251272.db2.gz ONUDLFHFJYYSPY-UHFFFAOYSA-N -1 1 350.382 2.253 20 0 FEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656800 608394770 /nfs/dbraw/zinc/39/47/70/608394770.db2.gz MYJPHIDHISLTPW-SNVBAGLBSA-N -1 1 350.386 2.178 20 0 FEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656800 608394772 /nfs/dbraw/zinc/39/47/72/608394772.db2.gz MYJPHIDHISLTPW-SNVBAGLBSA-N -1 1 350.386 2.178 20 0 FEADMM Cc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC000826306806 608403678 /nfs/dbraw/zinc/40/36/78/608403678.db2.gz MBOAADZDOLYHQD-UHFFFAOYSA-N -1 1 351.414 2.125 20 0 FEADMM Cc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC000826306806 608403681 /nfs/dbraw/zinc/40/36/81/608403681.db2.gz MBOAADZDOLYHQD-UHFFFAOYSA-N -1 1 351.414 2.125 20 0 FEADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825907925 608408714 /nfs/dbraw/zinc/40/87/14/608408714.db2.gz DFYPTCBOBYUFCL-RHSMWYFYSA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825907925 608408716 /nfs/dbraw/zinc/40/87/16/608408716.db2.gz DFYPTCBOBYUFCL-RHSMWYFYSA-N -1 1 351.414 2.261 20 0 FEADMM COc1ccccc1CC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826219645 608410757 /nfs/dbraw/zinc/41/07/57/608410757.db2.gz LCVVJLSAAJQFLG-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccccc1CC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826219645 608410758 /nfs/dbraw/zinc/41/07/58/608410758.db2.gz LCVVJLSAAJQFLG-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM Fc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1Cl ZINC000826374287 608412431 /nfs/dbraw/zinc/41/24/31/608412431.db2.gz TWRMVTJFHWFKSD-CYBMUJFWSA-N -1 1 361.768 2.027 20 0 FEADMM Fc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1Cl ZINC000826374287 608412432 /nfs/dbraw/zinc/41/24/32/608412432.db2.gz TWRMVTJFHWFKSD-CYBMUJFWSA-N -1 1 361.768 2.027 20 0 FEADMM c1cc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nnc1-c1nnn[n-]1 ZINC000826516944 608435075 /nfs/dbraw/zinc/43/50/75/608435075.db2.gz JOADBTCCZDKMPM-LLVKDONJSA-N -1 1 368.470 2.376 20 0 FEADMM c1cc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nnc1-c1nn[n-]n1 ZINC000826516944 608435076 /nfs/dbraw/zinc/43/50/76/608435076.db2.gz JOADBTCCZDKMPM-LLVKDONJSA-N -1 1 368.470 2.376 20 0 FEADMM COc1cc(CNc2nc(-c3nn[n-]n3)ccc2C)cc(OC)c1OC ZINC000826179563 608542420 /nfs/dbraw/zinc/54/24/20/608542420.db2.gz UTLUYAFILOUAEM-UHFFFAOYSA-N -1 1 356.386 2.208 20 0 FEADMM COc1cc(OC)c(CNc2nc(-c3nn[n-]n3)ccc2C)c(OC)c1 ZINC000826181054 608544161 /nfs/dbraw/zinc/54/41/61/608544161.db2.gz JFBGZMPOPJYCRA-UHFFFAOYSA-N -1 1 356.386 2.208 20 0 FEADMM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826493168 608618939 /nfs/dbraw/zinc/61/89/39/608618939.db2.gz WUCDUEHONXJMFZ-UHFFFAOYSA-N -1 1 368.378 2.323 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826231327 608766937 /nfs/dbraw/zinc/76/69/37/608766937.db2.gz HACPKGACWBJRBZ-GXSJLCMTSA-N -1 1 374.470 2.158 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826231328 608767235 /nfs/dbraw/zinc/76/72/35/608767235.db2.gz HACPKGACWBJRBZ-KOLCDFICSA-N -1 1 374.470 2.158 20 0 FEADMM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)[n-]c(=O)c1C ZINC000826327685 609182371 /nfs/dbraw/zinc/18/23/71/609182371.db2.gz QDOLHMDILDNALS-SNVBAGLBSA-N -1 1 371.426 2.098 20 0 FEADMM C[C@H]1NC(=O)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000825012589 609276560 /nfs/dbraw/zinc/27/65/60/609276560.db2.gz JVJIZJZCJMOKFU-SECBINFHSA-N -1 1 354.395 2.036 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CC=CCC1 ZINC000826458319 609290182 /nfs/dbraw/zinc/29/01/82/609290182.db2.gz LUSSFPDHQREHKY-LLVKDONJSA-N -1 1 353.361 2.486 20 0 FEADMM C[C@@H]1C[C@H](CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824883508 609319720 /nfs/dbraw/zinc/31/97/20/609319720.db2.gz HTBDATMHDRKDJF-VXGBXAGGSA-N -1 1 357.393 2.419 20 0 FEADMM CC1(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824824216 609360989 /nfs/dbraw/zinc/36/09/89/609360989.db2.gz RTINAZWITXMUNX-UHFFFAOYSA-N -1 1 356.365 2.113 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccc(F)cc32)C1)C(F)(F)F ZINC000810905225 674567958 /nfs/dbraw/zinc/56/79/58/674567958.db2.gz RIBLMNQQUUEDKI-HZMBPMFUSA-N -1 1 358.335 2.383 20 0 FEADMM CC(C)(C)OC(=O)CCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810906455 674567981 /nfs/dbraw/zinc/56/79/81/674567981.db2.gz WVMICBKKCRJIHP-NSHDSACASA-N -1 1 366.380 2.025 20 0 FEADMM Cc1cnc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000811885049 674635693 /nfs/dbraw/zinc/63/56/93/674635693.db2.gz GLGHGZBDZHRZJF-SNVBAGLBSA-N -1 1 364.393 2.052 20 0 FEADMM CO[C@H](CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811888052 674636216 /nfs/dbraw/zinc/63/62/16/674636216.db2.gz FOLFVFFJBMIGIM-VXGBXAGGSA-N -1 1 367.412 2.148 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc2ccccn2n1 ZINC000561149492 674641547 /nfs/dbraw/zinc/64/15/47/674641547.db2.gz RFFQOVPDSNMKQC-UHFFFAOYSA-N -1 1 358.423 2.738 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000561436661 674665966 /nfs/dbraw/zinc/66/59/66/674665966.db2.gz HLNFFZCMNHVWQD-UHFFFAOYSA-N -1 1 357.859 2.477 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000812362740 674670201 /nfs/dbraw/zinc/67/02/01/674670201.db2.gz JDJQENVNCZELLA-NSHDSACASA-N -1 1 366.414 2.257 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(F)(F)Cc2ccccc2)c1 ZINC000812360710 674670250 /nfs/dbraw/zinc/67/02/50/674670250.db2.gz GYQSPPFMWUYGIJ-UHFFFAOYSA-N -1 1 370.377 2.117 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C(\C)c2ccc(F)cc2)c1 ZINC000812362931 674670263 /nfs/dbraw/zinc/67/02/63/674670263.db2.gz NKCOIMPFZIGURB-PKNBQFBNSA-N -1 1 364.398 2.481 20 0 FEADMM O=C(Cc1sccc1Br)NC1(c2nn[n-]n2)CCCC1 ZINC000562526351 674765529 /nfs/dbraw/zinc/76/55/29/674765529.db2.gz NEIZBOAGNPWYML-UHFFFAOYSA-N -1 1 356.249 2.152 20 0 FEADMM O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000813722377 674773956 /nfs/dbraw/zinc/77/39/56/674773956.db2.gz RNCZRHPWCTUMMT-LBPRGKRZSA-N -1 1 362.842 2.177 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccncc3)C2)sc1C ZINC000562731639 674796851 /nfs/dbraw/zinc/79/68/51/674796851.db2.gz UQMBEUFMPIAXEO-UONOGXRCSA-N -1 1 353.469 2.354 20 0 FEADMM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCc1cn[nH]n1 ZINC000814021349 674810995 /nfs/dbraw/zinc/81/09/95/674810995.db2.gz HDWXOEGPCWMFOJ-HNNXBMFYSA-N -1 1 350.444 2.115 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccco1 ZINC000814387763 674838627 /nfs/dbraw/zinc/83/86/27/674838627.db2.gz ZVUUVFDDPFEGFD-SECBINFHSA-N -1 1 357.775 2.135 20 0 FEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C2CC2)no1 ZINC000814400984 674842505 /nfs/dbraw/zinc/84/25/05/674842505.db2.gz FYPRJRHXBUEDTE-ZDUSSCGKSA-N -1 1 360.798 2.169 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC[C@H](n3ccnn3)C2)c(Cl)c1 ZINC000563283122 674868738 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/nfs/dbraw/zinc/91/65/80/671916580.db2.gz PRFNRTJDPQYYGY-WOSRLPQWSA-N -1 1 372.437 2.199 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccsc1 ZINC000121144369 671943620 /nfs/dbraw/zinc/94/36/20/671943620.db2.gz XRJPLLKINSNPEP-CYBMUJFWSA-N -1 1 351.371 2.351 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)[nH]n1 ZINC000126474032 672024871 /nfs/dbraw/zinc/02/48/71/672024871.db2.gz MIHWNKRXYPXETD-UHFFFAOYSA-N -1 1 355.391 2.479 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cn(C)nc2C)c(F)cc1C ZINC000582689049 672025435 /nfs/dbraw/zinc/02/54/35/672025435.db2.gz ZHYXIDAFVBWKSH-UHFFFAOYSA-N -1 1 355.391 2.154 20 0 FEADMM CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000582876972 672041887 /nfs/dbraw/zinc/04/18/87/672041887.db2.gz FPNBKJZPVLMMBS-UHFFFAOYSA-N -1 1 362.407 2.381 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cnsn1 ZINC000129939524 672068537 /nfs/dbraw/zinc/06/85/37/672068537.db2.gz KRDACSOMTTZTAR-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3F)C2)c1Cl ZINC000134951557 672127892 /nfs/dbraw/zinc/12/78/92/672127892.db2.gz KSCLNEVLLNLBNV-NSHDSACASA-N -1 1 372.853 2.160 20 0 FEADMM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000583971258 672143160 /nfs/dbraw/zinc/14/31/60/672143160.db2.gz QMZCPXRXFVGPSE-GWCFXTLKSA-N -1 1 356.348 2.089 20 0 FEADMM O=C(NCCc1cn2c(n1)SCC2)c1ccc(Br)c([O-])c1 ZINC000584295563 672174565 /nfs/dbraw/zinc/17/45/65/672174565.db2.gz IWPZHBVBLOCQCR-UHFFFAOYSA-N -1 1 368.256 2.429 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000153841104 672205795 /nfs/dbraw/zinc/20/57/95/672205795.db2.gz RHGZSOPDYGGRBO-KBPBESRZSA-N -1 1 356.216 2.175 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO1 ZINC000584723318 672209651 /nfs/dbraw/zinc/20/96/51/672209651.db2.gz PCNWSSRUCNIZQI-BBRMVZONSA-N -1 1 360.435 2.395 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C)c1)c1ccccc1F ZINC000610702794 675990560 /nfs/dbraw/zinc/99/05/60/675990560.db2.gz JUCPRRONZJRPCO-INIZCTEOSA-N -1 1 351.399 2.468 20 0 FEADMM CN(CC(=O)Nc1ccc(Br)cn1)Cc1ncccc1[O-] ZINC000584866667 672223335 /nfs/dbraw/zinc/22/33/35/672223335.db2.gz SURLICOFVQAXFC-UHFFFAOYSA-N -1 1 351.204 2.015 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)s1 ZINC000610785389 675996637 /nfs/dbraw/zinc/99/66/37/675996637.db2.gz PAJRJOHJTGJHQF-SSDOTTSWSA-N -1 1 355.384 2.009 20 0 FEADMM N#Cc1ccc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c(F)c1 ZINC000157999443 672265156 /nfs/dbraw/zinc/26/51/56/672265156.db2.gz CEAMQGJYBWFCKE-UHFFFAOYSA-N -1 1 360.292 2.417 20 0 FEADMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000170663913 672323768 /nfs/dbraw/zinc/32/37/68/672323768.db2.gz IJWPGUZYEBBHIX-UHFFFAOYSA-N -1 1 362.432 2.439 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C(C)C)c(Br)o1 ZINC000177632431 672384661 /nfs/dbraw/zinc/38/46/61/672384661.db2.gz FXGNYXJLDLTFNZ-QMMMGPOBSA-N -1 1 368.249 2.399 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)cn1 ZINC000180760124 672417845 /nfs/dbraw/zinc/41/78/45/672417845.db2.gz WNCIDSIRBIRVGR-NSHDSACASA-N -1 1 355.288 2.280 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1C(N)=O ZINC000182362229 672443692 /nfs/dbraw/zinc/44/36/92/672443692.db2.gz DKCYJSRSLOQQNB-UHFFFAOYSA-N -1 1 367.358 2.250 20 0 FEADMM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000611078400 676015257 /nfs/dbraw/zinc/01/52/57/676015257.db2.gz CNTHTZWRLZKMNV-UHFFFAOYSA-N -1 1 370.358 2.056 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](OC)c2ccccc2Cl)c1 ZINC000611083116 676015808 /nfs/dbraw/zinc/01/58/08/676015808.db2.gz RVPGBVFLQUIQNU-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM COc1ccc(OCC[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc1 ZINC000588675597 672470156 /nfs/dbraw/zinc/47/01/56/672470156.db2.gz XEQDVNRUHKCHCY-UHFFFAOYSA-N -1 1 373.377 2.339 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c(F)c1 ZINC000588678690 672471156 /nfs/dbraw/zinc/47/11/56/672471156.db2.gz SKMKUSAEZDDHET-NSHDSACASA-N -1 1 355.362 2.255 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(Cl)(Cl)Cl)co1 ZINC000184651639 672504102 /nfs/dbraw/zinc/50/41/02/672504102.db2.gz JRQUGRYTKBBKQQ-YFKPBYRVSA-N -1 1 350.607 2.103 20 0 FEADMM CCCS(=O)(=O)c1ccccc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183823038 672481928 /nfs/dbraw/zinc/48/19/28/672481928.db2.gz WMOSRFSHOMCZCW-UHFFFAOYSA-N -1 1 358.419 2.171 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cn3cccc(C)c3n2)c(F)c1 ZINC000679469840 672499109 /nfs/dbraw/zinc/49/91/09/672499109.db2.gz IYBWWUCSORTPTO-UHFFFAOYSA-N -1 1 367.377 2.408 20 0 FEADMM CC(C)(C)c1n[nH]c(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)n1 ZINC000589020453 672499772 /nfs/dbraw/zinc/49/97/72/672499772.db2.gz QICULHXBHRTECE-UHFFFAOYSA-N -1 1 351.457 2.216 20 0 FEADMM NC(=O)c1ccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1F ZINC000184857829 672508978 /nfs/dbraw/zinc/50/89/78/672508978.db2.gz SHPPZHHKXJBTSQ-UHFFFAOYSA-N -1 1 368.727 2.184 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000184895632 672510673 /nfs/dbraw/zinc/51/06/73/672510673.db2.gz BMCVADVSOFSFLV-UHFFFAOYSA-N -1 1 372.874 2.252 20 0 FEADMM COC(=O)[C@H](NCCC[N-]C(=O)C(F)(F)F)c1ccc(F)c(C)c1 ZINC000185783443 672534362 /nfs/dbraw/zinc/53/43/62/672534362.db2.gz QOUQNLQHVOHVCX-GFCCVEGCSA-N -1 1 350.312 2.006 20 0 FEADMM CCCCC[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC ZINC000185916820 672537207 /nfs/dbraw/zinc/53/72/07/672537207.db2.gz QMPXGUIMPDFHOM-CYBMUJFWSA-N -1 1 354.428 2.369 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1ccc(I)cc1 ZINC000590397851 672578418 /nfs/dbraw/zinc/57/84/18/672578418.db2.gz HSDGQAQIQXYWRQ-UHFFFAOYSA-N -1 1 373.150 2.046 20 0 FEADMM CSc1cc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)ccn1 ZINC000680500851 672580456 /nfs/dbraw/zinc/58/04/56/672580456.db2.gz DMZSRQMAAJMIJC-UHFFFAOYSA-N -1 1 361.452 2.244 20 0 FEADMM O=C(CS(=O)(=O)CCCc1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000188368653 672589202 /nfs/dbraw/zinc/58/92/02/672589202.db2.gz AKJCWRBLTOOBFV-UHFFFAOYSA-N -1 1 368.842 2.427 20 0 FEADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1O ZINC000680809805 672602667 /nfs/dbraw/zinc/60/26/67/672602667.db2.gz PVOFYPXZWRSKDE-UHFFFAOYSA-N -1 1 355.437 2.213 20 0 FEADMM NC(=O)[C@@H](CNC(=O)c1ccc([O-])c(F)c1)Cc1ccccc1Cl ZINC000681045003 672624509 /nfs/dbraw/zinc/62/45/09/672624509.db2.gz SAFUQBIPWICLKH-GFCCVEGCSA-N -1 1 350.777 2.259 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C)c2nnnn2C2CC2)cc(Cl)c1[O-] ZINC000190268313 672634715 /nfs/dbraw/zinc/63/47/15/672634715.db2.gz PZAUBGGBNCMRSP-QMMMGPOBSA-N -1 1 351.794 2.257 20 0 FEADMM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCCC2 ZINC000190829998 672651662 /nfs/dbraw/zinc/65/16/62/672651662.db2.gz FSAHMNOCQFDUCM-UHFFFAOYSA-N -1 1 365.430 2.386 20 0 FEADMM O=S(=O)([N-]c1cccnc1-n1cccn1)C1=Cc2ccccc2OC1 ZINC000191538927 672669369 /nfs/dbraw/zinc/66/93/69/672669369.db2.gz GPHZBSMDRVDAEB-UHFFFAOYSA-N -1 1 354.391 2.443 20 0 FEADMM CCS(=O)(=O)c1cccc(CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000191976638 672679284 /nfs/dbraw/zinc/67/92/84/672679284.db2.gz POLCCTRSWORPHU-UHFFFAOYSA-N -1 1 354.815 2.415 20 0 FEADMM O=C(CNc1ccccc1)N[N-]C(=O)c1cccc(Br)c1F ZINC000192329778 672687506 /nfs/dbraw/zinc/68/75/06/672687506.db2.gz DAGKJNMHVWPJHO-UHFFFAOYSA-N -1 1 366.190 2.461 20 0 FEADMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000192656498 672697124 /nfs/dbraw/zinc/69/71/24/672697124.db2.gz FCIQHAUHZCXNBH-ZETCQYMHSA-N -1 1 355.218 2.032 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCCC1CCOCC1)c1ccccc1F ZINC000592035801 672738430 /nfs/dbraw/zinc/73/84/30/672738430.db2.gz HEAYMSMYJFYLCD-INIZCTEOSA-N -1 1 373.446 2.166 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](CO)Cc2ccc(C)cc2)c(F)c1 ZINC000682418504 672754209 /nfs/dbraw/zinc/75/42/09/672754209.db2.gz CIEQBZBXLQLNCO-ZDUSSCGKSA-N -1 1 371.405 2.164 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000194580309 672763023 /nfs/dbraw/zinc/76/30/23/672763023.db2.gz IALKKBOVOJFJQN-LLVKDONJSA-N -1 1 352.822 2.307 20 0 FEADMM COCc1cc([N-]S(=O)(=O)C[C@H](OC)C(C)C)cc(C(=O)OC)c1 ZINC000592352774 672790606 /nfs/dbraw/zinc/79/06/06/672790606.db2.gz OEGJVIRWFHAUJL-HNNXBMFYSA-N -1 1 359.444 2.032 20 0 FEADMM CC(C)C[C@@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230902221 672799856 /nfs/dbraw/zinc/79/98/56/672799856.db2.gz UBRUTLUHMAOVBF-SNVBAGLBSA-N -1 1 363.195 2.134 20 0 FEADMM C[C@@H](CSCCNS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000593275918 672900918 /nfs/dbraw/zinc/90/09/18/672900918.db2.gz ZQPQOMVVGRJZNC-ZETCQYMHSA-N -1 1 373.830 2.350 20 0 FEADMM O=C([O-])CC[C@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000263065532 672926716 /nfs/dbraw/zinc/92/67/16/672926716.db2.gz GDFFFMDFYGMGLV-CQSZACIVSA-N -1 1 368.861 2.412 20 0 FEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC000263143581 672928666 /nfs/dbraw/zinc/92/86/66/672928666.db2.gz DUNWNRDWZKQZSI-INWMFGNUSA-N -1 1 351.422 2.181 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C(N)=O)c2)c1 ZINC000684535388 672939509 /nfs/dbraw/zinc/93/95/09/672939509.db2.gz NLLUVCRRWAWWLL-UHFFFAOYSA-N -1 1 364.423 2.382 20 0 FEADMM CCOc1cc(C(=O)NCc2nc(C(=O)OC)co2)cc(Cl)c1[O-] ZINC000593833839 672996641 /nfs/dbraw/zinc/99/66/41/672996641.db2.gz DQOZBTSUHPOOMH-UHFFFAOYSA-N -1 1 354.746 2.149 20 0 FEADMM CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1c(F)ccc([O-])c1F ZINC000593856610 672999560 /nfs/dbraw/zinc/99/95/60/672999560.db2.gz DUMIPJVDEWVCRD-NSHDSACASA-N -1 1 357.353 2.291 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000324397664 673045944 /nfs/dbraw/zinc/04/59/44/673045944.db2.gz AISYMVPYRYMZCM-AWEZNQCLSA-N -1 1 354.472 2.014 20 0 FEADMM CCc1ccc(S(=O)(=O)N[C@H](C)CN2CCCCC2)cc1C(=O)[O-] ZINC000325892314 673050950 /nfs/dbraw/zinc/05/09/50/673050950.db2.gz SVQOILVRZZGKRX-CYBMUJFWSA-N -1 1 354.472 2.100 20 0 FEADMM CCO[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000701825181 673057162 /nfs/dbraw/zinc/05/71/62/673057162.db2.gz LAWXMBKINCSKRG-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCN1 ZINC000396713538 673164283 /nfs/dbraw/zinc/16/42/83/673164283.db2.gz JAQYLYCDEGIRLE-ZETCQYMHSA-N -1 1 355.218 2.080 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)cc1C ZINC000595307542 673220430 /nfs/dbraw/zinc/22/04/30/673220430.db2.gz ZNJLGOXGBOPIFD-QWHCGFSZSA-N -1 1 353.371 2.348 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)nc2)cc1C ZINC000595313809 673221977 /nfs/dbraw/zinc/22/19/77/673221977.db2.gz ZFRCFIQUKRHJOK-UHFFFAOYSA-N -1 1 368.411 2.035 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)cc1C ZINC000595316758 673222295 /nfs/dbraw/zinc/22/22/95/673222295.db2.gz IWJRYLJNWVAPGQ-CYBMUJFWSA-N -1 1 365.407 2.403 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)cc1C ZINC000595318174 673222975 /nfs/dbraw/zinc/22/29/75/673222975.db2.gz SFRZXVHICALASV-LLVKDONJSA-N -1 1 371.386 2.260 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1C ZINC000595322119 673224090 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C[C@H](c1ccc(Cl)cc1)N(C(=O)CCn1cc[n-]c(=O)c1=O)C1CC1 ZINC000733136180 673399780 /nfs/dbraw/zinc/39/97/80/673399780.db2.gz QECHTRVGXPMBCR-GFCCVEGCSA-N -1 1 361.829 2.332 20 0 FEADMM Cn1ncc2c1nc(Oc1ccc(I)cc1)[n-]c2=O ZINC000537790285 673408061 /nfs/dbraw/zinc/40/80/61/673408061.db2.gz DCNAOIOGNANIJB-UHFFFAOYSA-N -1 1 368.134 2.466 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(N2CN=NC2=O)CC1 ZINC000538832170 673460370 /nfs/dbraw/zinc/46/03/70/673460370.db2.gz WJXQCFPTBQIIGF-UHFFFAOYSA-N -1 1 356.304 2.185 20 0 FEADMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Cl)c1Cl ZINC000735480442 673493994 /nfs/dbraw/zinc/49/39/94/673493994.db2.gz IHURNUGSENUHRU-SECBINFHSA-N -1 1 356.209 2.111 20 0 FEADMM COCCn1ccc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc21 ZINC000539943499 673514935 /nfs/dbraw/zinc/51/49/35/673514935.db2.gz OGAWCDPUZFLXTO-UHFFFAOYSA-N -1 1 363.395 2.115 20 0 FEADMM C[C@H]1CC[C@H](CCC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])O1 ZINC000539970488 673516774 /nfs/dbraw/zinc/51/67/74/673516774.db2.gz 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FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2)cn1 ZINC000544640822 673722400 /nfs/dbraw/zinc/72/24/00/673722400.db2.gz JQPPWCVQGNVTTP-UHFFFAOYSA-N -1 1 352.412 2.306 20 0 FEADMM CS[C@@H]1CC[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000742737383 673736060 /nfs/dbraw/zinc/73/60/60/673736060.db2.gz AWIHXHCAVSXFNK-UONOGXRCSA-N -1 1 358.467 2.083 20 0 FEADMM CCC1N=NC(=S)N1CCNC(=O)c1ccc(Br)cc1[O-] ZINC000743663867 673768004 /nfs/dbraw/zinc/76/80/04/673768004.db2.gz QPSQIXLKBKRDRK-UHFFFAOYSA-N -1 1 371.260 2.027 20 0 FEADMM CCc1cnccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000545744007 673775557 /nfs/dbraw/zinc/77/55/57/673775557.db2.gz WZHVUPUQYJXXSV-UHFFFAOYSA-N -1 1 350.425 2.234 20 0 FEADMM CC(C)(NC(=O)c1cccc2[nH]c(-c3cccs3)nc21)c1nn[n-]n1 ZINC000546088237 673791291 /nfs/dbraw/zinc/79/12/91/673791291.db2.gz ALTCXQWXFILCCG-UHFFFAOYSA-N -1 1 353.411 2.470 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000600701729 673792863 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COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000601328996 673843503 /nfs/dbraw/zinc/84/35/03/673843503.db2.gz CVTHNNRCRHJDHR-MRXNPFEDSA-N -1 1 363.439 2.191 20 0 FEADMM C[C@H](CN(C)C(=O)c1nccnc1Sc1ccccc1)c1nn[n-]n1 ZINC000547489593 673856399 /nfs/dbraw/zinc/85/63/99/673856399.db2.gz AWDFWQYCCQKNNP-LLVKDONJSA-N -1 1 355.427 2.017 20 0 FEADMM COC(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1F ZINC000746055317 673862293 /nfs/dbraw/zinc/86/22/93/673862293.db2.gz CUJVYYFXEGUJEA-UHFFFAOYSA-N -1 1 372.330 2.404 20 0 FEADMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601462907 673866622 /nfs/dbraw/zinc/86/66/22/673866622.db2.gz FFOZIXDTWSRIEY-STQMWFEESA-N -1 1 355.818 2.157 20 0 FEADMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccsc2)c(F)c1 ZINC000547615655 673875137 /nfs/dbraw/zinc/87/51/37/673875137.db2.gz PSZXHMCNJPKMNS-LLVKDONJSA-N -1 1 358.347 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(C(F)F)CCC3)CC2)n1 ZINC000601537534 673879190 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CC(C)S(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000548440909 673958548 /nfs/dbraw/zinc/95/85/48/673958548.db2.gz NIMYIEHYNWKRCR-UHFFFAOYSA-N -1 1 362.333 2.258 20 0 FEADMM CO[C@@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000566631720 675230747 /nfs/dbraw/zinc/23/07/47/675230747.db2.gz VZHTVBCPUOAANQ-PWSUYJOCSA-N -1 1 372.215 2.242 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)c2ccccc2)c(F)c1 ZINC000819878265 675318340 /nfs/dbraw/zinc/31/83/40/675318340.db2.gz MLSBODJJKAMVMT-CZUORRHYSA-N -1 1 371.405 2.036 20 0 FEADMM Cc1noc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000567905790 675334679 /nfs/dbraw/zinc/33/46/79/675334679.db2.gz REYZEICXRBUVSP-QWHCGFSZSA-N -1 1 366.215 2.441 20 0 FEADMM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000820789305 675388214 /nfs/dbraw/zinc/38/82/14/675388214.db2.gz AOQJAJDLOOGJCZ-UHFFFAOYSA-N -1 1 373.431 2.075 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000568985616 675415306 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O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(F)cc1Br ZINC000823380307 675548824 /nfs/dbraw/zinc/54/88/24/675548824.db2.gz VSYLLZIZCYULRP-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=S(=O)([N-]CCCc1nccs1)c1ncccc1Br ZINC000656990555 677903253 /nfs/dbraw/zinc/90/32/53/677903253.db2.gz JVYDQTPCEVTFND-UHFFFAOYSA-N -1 1 362.274 2.212 20 0 FEADMM O=C([N-]Cc1nc([C@H]2CCCO2)n[nH]1)C(F)(F)c1cc(F)cc(F)c1 ZINC000824290540 675593671 /nfs/dbraw/zinc/59/36/71/675593671.db2.gz NPNOOEFSMGSERS-LLVKDONJSA-N -1 1 358.295 2.343 20 0 FEADMM C[C@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)N1CCc2ccccc21 ZINC000825438632 675653166 /nfs/dbraw/zinc/65/31/66/675653166.db2.gz YHBPLWLLIAEKLV-GFCCVEGCSA-N -1 1 353.451 2.199 20 0 FEADMM Clc1ccc(N2CCO[C@@H](Cc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000826352027 675686716 /nfs/dbraw/zinc/68/67/16/675686716.db2.gz KCLMYYKJXCPEDY-ZDUSSCGKSA-N -1 1 356.817 2.363 20 0 FEADMM Clc1ccc(N2CCO[C@@H](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000826352027 675686717 /nfs/dbraw/zinc/68/67/17/675686717.db2.gz 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CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)O)c(F)cc1Cl ZINC000841492730 680887290 /nfs/dbraw/zinc/88/72/90/680887290.db2.gz NMMITDOYOYYHKN-MRVPVSSYSA-N -1 1 367.826 2.094 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)NC1CCCCC1 ZINC000767080168 680898174 /nfs/dbraw/zinc/89/81/74/680898174.db2.gz CMAQWLTVOANUES-UHFFFAOYSA-N -1 1 366.270 2.116 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)n1 ZINC000842575903 680952896 /nfs/dbraw/zinc/95/28/96/680952896.db2.gz QKCHFZGVRBYCTQ-UHFFFAOYSA-N -1 1 366.443 2.097 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1)C1CC1 ZINC000842584742 680953489 /nfs/dbraw/zinc/95/34/89/680953489.db2.gz JHWAHDAXGWECOZ-YTEVENLXSA-N -1 1 371.402 2.481 20 0 FEADMM CC(C)c1cccc(CC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843013225 680981767 /nfs/dbraw/zinc/98/17/67/680981767.db2.gz DALWVHUZROANFH-UHFFFAOYSA-N -1 1 352.500 2.283 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(OC(C)(C)C)cc2)CCC1 ZINC000843016009 680982157 /nfs/dbraw/zinc/98/21/57/680982157.db2.gz LPGHOJXUBQNIQC-UHFFFAOYSA-N -1 1 368.499 2.408 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccc3[nH]ccc3c2)CCC1 ZINC000843015999 680982235 /nfs/dbraw/zinc/98/22/35/680982235.db2.gz LEMYKZQVVHPDMY-ALCCZGGFSA-N -1 1 361.467 2.111 20 0 FEADMM Cc1nc(CC(C)C)c(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)s1 ZINC000843016262 680982243 /nfs/dbraw/zinc/98/22/43/680982243.db2.gz NONZFGOQHFFHRZ-UHFFFAOYSA-N -1 1 373.544 2.194 20 0 FEADMM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018699 680982987 /nfs/dbraw/zinc/98/29/87/680982987.db2.gz SQJMAQZCZYRJNO-OAHLLOKOSA-N -1 1 352.500 2.419 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)cc2)CCC1 ZINC000843019415 680983200 /nfs/dbraw/zinc/98/32/00/680983200.db2.gz QTUXKUTYGLSWJB-UHFFFAOYSA-N -1 1 364.389 2.249 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)CC)c(=O)[nH]c1=O ZINC000769637050 680989756 /nfs/dbraw/zinc/98/97/56/680989756.db2.gz FPARCLGMUZXDOX-QWHCGFSZSA-N -1 1 359.492 2.242 20 0 FEADMM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)cc1 ZINC000912544404 685395326 /nfs/dbraw/zinc/39/53/26/685395326.db2.gz ZDJFOBFIPWANCR-UHFFFAOYSA-N -1 1 365.455 2.015 20 0 FEADMM CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000844145064 681041498 /nfs/dbraw/zinc/04/14/98/681041498.db2.gz ZSVBMACUVTWNNO-NSHDSACASA-N -1 1 359.831 2.175 20 0 FEADMM CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000771573594 681060435 /nfs/dbraw/zinc/06/04/35/681060435.db2.gz AYQDGKHWNINHPP-SECBINFHSA-N -1 1 372.219 2.357 20 0 FEADMM CN(C)c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000844832837 681086877 /nfs/dbraw/zinc/08/68/77/681086877.db2.gz ATIRDRQQDQEZCC-UHFFFAOYSA-N -1 1 352.387 2.464 20 0 FEADMM Cc1ncc(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000772537128 681102048 /nfs/dbraw/zinc/10/20/48/681102048.db2.gz YVGWSHQMQMXEPI-UHFFFAOYSA-N -1 1 359.455 2.108 20 0 FEADMM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773151952 681127627 /nfs/dbraw/zinc/12/76/27/681127627.db2.gz LJOMEXCBQDVABG-LLVKDONJSA-N -1 1 358.254 2.366 20 0 FEADMM CC(C)c1cccc(O[C@H](C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000773157477 681128059 /nfs/dbraw/zinc/12/80/59/681128059.db2.gz KDCXCJCESZZVBF-DOMZBBRYSA-N -1 1 361.471 2.407 20 0 FEADMM O=C(Cc1c(Cl)cccc1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773158697 681128277 /nfs/dbraw/zinc/12/82/77/681128277.db2.gz JEHVBIQZRAOSPV-NSHDSACASA-N -1 1 358.254 2.366 20 0 FEADMM CC[C@H](C)c1ccccc1OCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773161588 681128411 /nfs/dbraw/zinc/12/84/11/681128411.db2.gz LYZDIQJCMZLMES-GXTWGEPZSA-N -1 1 361.471 2.409 20 0 FEADMM O=C([N-]CCOCCOC(=O)[C@@H]1CCc2ccccc2C1)C(F)(F)F ZINC000845510667 681134042 /nfs/dbraw/zinc/13/40/42/681134042.db2.gz YLIHJNATVKEGBK-CQSZACIVSA-N -1 1 359.344 2.030 20 0 FEADMM O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1c([O-])cccc1F ZINC000773357201 681138428 /nfs/dbraw/zinc/13/84/28/681138428.db2.gz CCXKXJNHHOCQOD-CYBMUJFWSA-N -1 1 367.760 2.419 20 0 FEADMM COc1ccc(CCNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1OC ZINC000773708415 681153355 /nfs/dbraw/zinc/15/33/55/681153355.db2.gz ZSXVADJFDNLWDL-UHFFFAOYSA-N -1 1 358.423 2.008 20 0 FEADMM Cc1nc2ccccc2n1CCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773725712 681153503 /nfs/dbraw/zinc/15/35/03/681153503.db2.gz ARCXNJHGMYPLAG-UHFFFAOYSA-N -1 1 352.423 2.106 20 0 FEADMM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000773751350 681154399 /nfs/dbraw/zinc/15/43/99/681154399.db2.gz NPIVCVCTLJTNON-UHFFFAOYSA-N -1 1 353.407 2.163 20 0 FEADMM CCOc1cc(/C=C/C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc1O ZINC000775006688 681266982 /nfs/dbraw/zinc/26/69/82/681266982.db2.gz BQMPYXHKYNNOFL-FNORWQNLSA-N -1 1 361.316 2.416 20 0 FEADMM CCCn1ncc(C(=O)OCC)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000775139637 681276937 /nfs/dbraw/zinc/27/69/37/681276937.db2.gz WLDVLKKXRYRGMY-UHFFFAOYSA-N -1 1 365.455 2.454 20 0 FEADMM CCc1cc2c(COC(=O)COCCCOC)cc(=O)oc2cc1[O-] ZINC000775923714 681348804 /nfs/dbraw/zinc/34/88/04/681348804.db2.gz SDKNDQSWBDFEGR-UHFFFAOYSA-N -1 1 350.367 2.157 20 0 FEADMM O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776561958 681406063 /nfs/dbraw/zinc/40/60/63/681406063.db2.gz BTJJXVGFFYIOEP-CYBMUJFWSA-N -1 1 362.846 2.194 20 0 FEADMM O=C(Cc1cc(Cl)ccc1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776564704 681406631 /nfs/dbraw/zinc/40/66/31/681406631.db2.gz PFARYMRWNXSNKJ-NSHDSACASA-N -1 1 358.254 2.366 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1 ZINC000777607758 681510835 /nfs/dbraw/zinc/51/08/35/681510835.db2.gz LPXWZUGSKSIKMM-UHFFFAOYSA-N -1 1 366.351 2.070 20 0 FEADMM CCOC(=O)c1csc(CN2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)n1 ZINC000934272876 681541238 /nfs/dbraw/zinc/54/12/38/681541238.db2.gz LQGAGPRKJHKCSF-NSHDSACASA-N -1 1 364.427 2.161 20 0 FEADMM COc1cnc([C@H]2CCCN2CC(=O)NCc2sccc2C)[n-]c1=O ZINC000934271587 681541312 /nfs/dbraw/zinc/54/13/12/681541312.db2.gz CGNYBHVPFIRQBU-GFCCVEGCSA-N -1 1 362.455 2.014 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)CC1(C)OCCO1 ZINC000778008437 681556637 /nfs/dbraw/zinc/55/66/37/681556637.db2.gz GSTAFKVRGPDRCX-VIFPVBQESA-N -1 1 369.270 2.456 20 0 FEADMM CSCC[C@H](NC(=O)c1ccccc1NCC(F)(F)F)c1nn[n-]n1 ZINC000912858082 685457589 /nfs/dbraw/zinc/45/75/89/685457589.db2.gz DILLJXZIMWJJRC-NSHDSACASA-N -1 1 374.392 2.398 20 0 FEADMM CSCC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1nn[n-]n1 ZINC000912860115 685458287 /nfs/dbraw/zinc/45/82/87/685458287.db2.gz NSLQEVGLMABBNR-AWEZNQCLSA-N -1 1 363.487 2.487 20 0 FEADMM CCOc1cc(Cl)ccc1C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912861922 685460411 /nfs/dbraw/zinc/46/04/11/685460411.db2.gz CDOKFFJKACCHTK-NSHDSACASA-N -1 1 355.851 2.476 20 0 FEADMM CSCC[C@H](NC(=O)c1cc(C2CC2)cnc1Cl)c1nn[n-]n1 ZINC000912861966 685460472 /nfs/dbraw/zinc/46/04/72/685460472.db2.gz FALKSUXCPFCGNJ-NSHDSACASA-N -1 1 352.851 2.350 20 0 FEADMM CSCC[C@H](NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)c1nn[n-]n1 ZINC000912862822 685461240 /nfs/dbraw/zinc/46/12/40/685461240.db2.gz DGQFBYQRZNOZPV-SCUASFONSA-N -1 1 363.874 2.349 20 0 FEADMM CCOC(=O)c1sc2[n-]c(COC[C@@H]3CCCO3)nc(=O)c2c1C ZINC000849183346 681663813 /nfs/dbraw/zinc/66/38/13/681663813.db2.gz RNFQSDSBLZRRRI-JTQLQIEISA-N -1 1 352.412 2.165 20 0 FEADMM Cc1cnc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000778991793 681670645 /nfs/dbraw/zinc/67/06/45/681670645.db2.gz DAUNJMHSQNNYQX-ZDUSSCGKSA-N -1 1 356.300 2.458 20 0 FEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000935037156 681675414 /nfs/dbraw/zinc/67/54/14/681675414.db2.gz OWSKSKDXTPPUEZ-VIFPVBQESA-N -1 1 371.775 2.360 20 0 FEADMM CO[C@@H](CS(=O)(=O)NN=c1c(F)c(F)[n-]c(F)c1F)C1CCCC1 ZINC000849304654 681681907 /nfs/dbraw/zinc/68/19/07/681681907.db2.gz UJBRHRQJYXFGPE-QMMMGPOBSA-N -1 1 371.356 2.090 20 0 FEADMM O=C(CCCSc1ccc(Cl)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493236 685478554 /nfs/dbraw/zinc/47/85/54/685478554.db2.gz JZHCAJDZQDDOAA-ZDUSSCGKSA-N -1 1 367.862 2.326 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCC(c3nn[n-]n3)CC2)c1C(F)F ZINC000913744417 685483971 /nfs/dbraw/zinc/48/39/71/685483971.db2.gz NAYCAEFEKQSLPO-UHFFFAOYSA-N -1 1 353.377 2.010 20 0 FEADMM Cc1cccc(C(=O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000935795005 681823384 /nfs/dbraw/zinc/82/33/84/681823384.db2.gz AAZOGPKGWNKKAR-UHFFFAOYSA-N -1 1 356.344 2.095 20 0 FEADMM CCc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[n-]c(=O)c1C ZINC000849921548 681824516 /nfs/dbraw/zinc/82/45/16/681824516.db2.gz PDMAKJHTJJLWRR-UHFFFAOYSA-N -1 1 359.411 2.366 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C(C)C)nc32)o1 ZINC000780413916 681825174 /nfs/dbraw/zinc/82/51/74/681825174.db2.gz UUCZQGWCOJCUCB-GFCCVEGCSA-N -1 1 367.427 2.200 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccco1 ZINC000780485934 681833048 /nfs/dbraw/zinc/83/30/48/681833048.db2.gz OHGHLYZPOCRPRR-LLVKDONJSA-N -1 1 365.352 2.321 20 0 FEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1F ZINC000914071474 685493273 /nfs/dbraw/zinc/49/32/73/685493273.db2.gz REVSUVAWQUCSET-MRVPVSSYSA-N -1 1 368.224 2.054 20 0 FEADMM O=S(=O)(CC1(F)CCC1)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000914152345 685496424 /nfs/dbraw/zinc/49/64/24/685496424.db2.gz ZLTBLIZBTYLTEY-CYBMUJFWSA-N -1 1 355.353 2.248 20 0 FEADMM COc1c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cccc1C(N)=O ZINC000782260993 682022464 /nfs/dbraw/zinc/02/24/64/682022464.db2.gz LDMMIXQSFSFRTA-KTKRTIGZSA-N -1 1 350.371 2.346 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(C)(C)n2cccn2)o1 ZINC000851304490 682047970 /nfs/dbraw/zinc/04/79/70/682047970.db2.gz DWTRDJHTMJPCLU-UHFFFAOYSA-N -1 1 369.443 2.145 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21)N(C)C ZINC000851548917 682084316 /nfs/dbraw/zinc/08/43/16/682084316.db2.gz NWHMEEKIYMUDEH-DOTOQJQBSA-N -1 1 352.500 2.139 20 0 FEADMM CC(C)(C)OC(=O)NCCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC000915637499 685516959 /nfs/dbraw/zinc/51/69/59/685516959.db2.gz DJZDSPUMLGWPAX-UHFFFAOYSA-N -1 1 359.373 2.037 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccc(C)cc2)cc1C ZINC000851789446 682136252 /nfs/dbraw/zinc/13/62/52/682136252.db2.gz JZXMKRSIBZMTFU-IUODEOHRSA-N -1 1 367.423 2.083 20 0 FEADMM O=S(=O)([N-]CCC1SCCS1)c1ncccc1Br ZINC000851847502 682161043 /nfs/dbraw/zinc/16/10/43/682161043.db2.gz GGIDKAPYNZZCGR-UHFFFAOYSA-N -1 1 369.331 2.319 20 0 FEADMM CCC[C@H](C)CS(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851878752 682174779 /nfs/dbraw/zinc/17/47/79/682174779.db2.gz CDPQNZGVCLKMGD-TUAOUCFPSA-N -1 1 358.426 2.141 20 0 FEADMM CCC(CC)CS(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851878685 682174820 /nfs/dbraw/zinc/17/48/20/682174820.db2.gz AEVYKACVKRIARM-PWSUYJOCSA-N -1 1 358.426 2.141 20 0 FEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C)C2)c1F ZINC000916636544 685526376 /nfs/dbraw/zinc/52/63/76/685526376.db2.gz FNTKBFIQRHZUFF-JGVFFNPUSA-N -1 1 368.224 2.053 20 0 FEADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2noc3c2CCCC3)CC[C@@H](C)CC1 ZINC000917258524 685530925 /nfs/dbraw/zinc/53/09/25/685530925.db2.gz TXAIVIIVHAPNAE-QASKLWRZSA-N -1 1 370.471 2.095 20 0 FEADMM CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)[C@H]1CCCO1 ZINC000852228495 682243519 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COCCOc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000047211477 540296760 /nfs/dbraw/zinc/29/67/60/540296760.db2.gz HIZMMRHHUJYFLO-UHFFFAOYSA-N -1 1 359.407 2.456 20 0 FEADMM Cc1c([N-]S(=O)(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000047992131 540338700 /nfs/dbraw/zinc/33/87/00/540338700.db2.gz SRJFBNKFQDUPSS-UHFFFAOYSA-N -1 1 371.462 2.469 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c1 ZINC000052797991 540490084 /nfs/dbraw/zinc/49/00/84/540490084.db2.gz HWSJABJZCJYRFU-UHFFFAOYSA-N -1 1 360.370 2.410 20 0 FEADMM CCCOCc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000054038068 540565865 /nfs/dbraw/zinc/56/58/65/540565865.db2.gz MPRVZKDZKZSGDB-UHFFFAOYSA-N -1 1 366.439 2.044 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1 ZINC000054294721 540581454 /nfs/dbraw/zinc/58/14/54/540581454.db2.gz GNPMGBPALQRRHA-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c(=O)[n-]1 ZINC000054684498 540602792 /nfs/dbraw/zinc/60/27/92/540602792.db2.gz ALVLVJGNGZXCRI-NSHDSACASA-N -1 1 371.466 2.487 20 0 FEADMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000055580783 540660854 /nfs/dbraw/zinc/66/08/54/540660854.db2.gz QRCCBWABIRFBQG-UHFFFAOYSA-N -1 1 374.422 2.253 20 0 FEADMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)ccc2o1 ZINC000055610302 540664006 /nfs/dbraw/zinc/66/40/06/540664006.db2.gz ZQWNPIHCQAFVRG-UHFFFAOYSA-N -1 1 374.374 2.119 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCCCc2ccccc2)o1 ZINC000056993018 540760287 /nfs/dbraw/zinc/76/02/87/540760287.db2.gz NXVLOHQFIOCEOF-UHFFFAOYSA-N -1 1 350.440 2.283 20 0 FEADMM CN(c1ccccc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115510 540769437 /nfs/dbraw/zinc/76/94/37/540769437.db2.gz SRZSSZFVUDJVOQ-UHFFFAOYSA-N -1 1 358.416 2.022 20 0 FEADMM CC1(C)CC[C@H](CN=c2ccc(C(=O)NCCO)n[n-]2)c2ccccc21 ZINC000539866140 541002224 /nfs/dbraw/zinc/00/22/24/541002224.db2.gz LCRNZXGZOJHACK-CQSZACIVSA-N -1 1 354.454 2.466 20 0 FEADMM COc1ccc(CN2CCN(c3nc(=N)[n-]s3)CC2)c(OC(F)F)c1 ZINC000539912648 541006363 /nfs/dbraw/zinc/00/63/63/541006363.db2.gz FFSYMFFREWNCTG-UHFFFAOYSA-N -1 1 371.413 2.053 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000064328363 541201438 /nfs/dbraw/zinc/20/14/38/541201438.db2.gz YBPMDGKPKGBVQN-UHFFFAOYSA-N -1 1 366.425 2.479 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000064373942 541203844 /nfs/dbraw/zinc/20/38/44/541203844.db2.gz BRFZMIQMCPVIOT-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066848812 541380850 /nfs/dbraw/zinc/38/08/50/541380850.db2.gz DGYTYJIPZMNJNE-GOSISDBHSA-N -1 1 372.396 2.164 20 0 FEADMM COCCOc1cccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067078414 541414609 /nfs/dbraw/zinc/41/46/09/541414609.db2.gz ASGNIQDAPXOHPW-UHFFFAOYSA-N -1 1 362.455 2.273 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccn(-c2ccccc2)n1 ZINC000067078482 541414808 /nfs/dbraw/zinc/41/48/08/541414808.db2.gz VSDXMCBMEXSBPZ-UHFFFAOYSA-N -1 1 354.439 2.434 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1S(N)(=O)=O ZINC000067124673 541420175 /nfs/dbraw/zinc/42/01/75/541420175.db2.gz CGTXGWSYHCMLGJ-UHFFFAOYSA-N -1 1 368.480 2.314 20 0 FEADMM CCCCCNC(=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300330 541676363 /nfs/dbraw/zinc/67/63/63/541676363.db2.gz PVDCYOBUUPFYLH-UHFFFAOYSA-N -1 1 356.492 2.008 20 0 FEADMM CCOC(=O)CCC[N-]S(=O)(=O)c1sccc1Br ZINC000070263543 541733081 /nfs/dbraw/zinc/73/30/81/541733081.db2.gz GUSXCEVORYRDHK-UHFFFAOYSA-N -1 1 356.263 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N=c2[nH]n(C3CCCCC3)cc2C)co1 ZINC000544305755 541749265 /nfs/dbraw/zinc/74/92/65/541749265.db2.gz OTCNSDVVOQJCSP-UHFFFAOYSA-N -1 1 366.443 2.450 20 0 FEADMM CC(C)C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000071044507 541760696 /nfs/dbraw/zinc/76/06/96/541760696.db2.gz CJMMLJXRHZHDHM-ZDUSSCGKSA-N -1 1 372.487 2.244 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1OC ZINC000071092041 541763447 /nfs/dbraw/zinc/76/34/47/541763447.db2.gz XXILWGSQSRXFAQ-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM COc1ccc(NC(=O)c2cc(C(C)C)no2)cc1[N-]S(C)(=O)=O ZINC000071105561 541764334 /nfs/dbraw/zinc/76/43/34/541764334.db2.gz NGVOCCNUECWFQD-UHFFFAOYSA-N -1 1 353.400 2.430 20 0 FEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@@H]1CCCOC1 ZINC000801373408 674124913 /nfs/dbraw/zinc/12/49/13/674124913.db2.gz WOAHYJYFVVKROU-LLVKDONJSA-N -1 1 364.785 2.384 20 0 FEADMM CO[C@]1(C)C[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1(C)C ZINC000073265125 541938032 /nfs/dbraw/zinc/93/80/32/541938032.db2.gz CSRNWVNZANVVIJ-MGPUTAFESA-N -1 1 370.453 2.003 20 0 FEADMM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075494600 542182121 /nfs/dbraw/zinc/18/21/21/542182121.db2.gz GBHAWDLDLASSLI-OAHLLOKOSA-N -1 1 351.362 2.185 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3ccn(-c4ccc(Cl)cc4)n3)ccnc1-2 ZINC000801700491 674144413 /nfs/dbraw/zinc/14/44/13/674144413.db2.gz MWGQHTAOSOIBOB-UHFFFAOYSA-N -1 1 352.785 2.433 20 0 FEADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1 ZINC000032081129 208024183 /nfs/dbraw/zinc/02/41/83/208024183.db2.gz HQSDELCDFQLDIS-UHFFFAOYSA-N -1 1 368.480 2.333 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCSCC1 ZINC000551515214 674148777 /nfs/dbraw/zinc/14/87/77/674148777.db2.gz JIULQFPJRAQNPJ-UHFFFAOYSA-N -1 1 367.851 2.196 20 0 FEADMM CN(C)[C@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1cccs1 ZINC000078259711 542450813 /nfs/dbraw/zinc/45/08/13/542450813.db2.gz CBVMGJUZCDXDBB-CQSZACIVSA-N -1 1 367.496 2.152 20 0 FEADMM O=C(NCCc1ccc[nH]1)c1cc(I)ccc1[O-] ZINC000089459536 542764067 /nfs/dbraw/zinc/76/40/67/542764067.db2.gz AFEGEDNAVUZWNU-UHFFFAOYSA-N -1 1 356.163 2.297 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(O)(C(F)(F)F)CC3)nc2)[n-]c(=O)c1C ZINC000089637613 542767549 /nfs/dbraw/zinc/76/75/49/542767549.db2.gz UHNHPRSMVIFKNF-UHFFFAOYSA-N -1 1 368.359 2.342 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000091699453 542820656 /nfs/dbraw/zinc/82/06/56/542820656.db2.gz JKFSFQCLDQUWHW-GWCFXTLKSA-N -1 1 367.243 2.286 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000092600516 542874012 /nfs/dbraw/zinc/87/40/12/542874012.db2.gz UFMWHULJUJXREZ-NWDGAFQWSA-N -1 1 353.216 2.038 20 0 FEADMM C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000103943099 543118622 /nfs/dbraw/zinc/11/86/22/543118622.db2.gz YTLPJCACKXKOCK-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000104823498 543145983 /nfs/dbraw/zinc/14/59/83/543145983.db2.gz JHCKUCBFJAPZIV-VIFPVBQESA-N -1 1 360.364 2.338 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1 ZINC000105388345 543173093 /nfs/dbraw/zinc/17/30/93/543173093.db2.gz VZLQHZFODSVEEK-UHFFFAOYSA-N -1 1 372.450 2.351 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)nc3)ccc2O1 ZINC000106006832 543184445 /nfs/dbraw/zinc/18/44/45/543184445.db2.gz DFFVJGPMBROLTA-LBPRGKRZSA-N -1 1 356.407 2.392 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccc(F)cc2)o1 ZINC000107700590 543276312 /nfs/dbraw/zinc/27/63/12/543276312.db2.gz PUENBPZNJXFUGC-UHFFFAOYSA-N -1 1 355.387 2.461 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)o1 ZINC000107700375 543276332 /nfs/dbraw/zinc/27/63/32/543276332.db2.gz MCDLVXYSVVOXRM-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cccc4cccnc43)no2)o1 ZINC000109516922 543327104 /nfs/dbraw/zinc/32/71/04/543327104.db2.gz OSSIGYVITHUIJE-UHFFFAOYSA-N -1 1 370.390 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCc2ccc(Cl)cc2)o1 ZINC000113216173 543477926 /nfs/dbraw/zinc/47/79/26/543477926.db2.gz DLKNAYDSQRUECM-UHFFFAOYSA-N -1 1 356.831 2.156 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCC(=O)Nc3ccccc3)cnc2n1 ZINC000113441276 543487762 /nfs/dbraw/zinc/48/77/62/543487762.db2.gz IRFRJPZDKNGXJH-UHFFFAOYSA-N -1 1 350.378 2.402 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCC(=O)Nc1ccccc1)c2=O ZINC000113441276 543487764 /nfs/dbraw/zinc/48/77/64/543487764.db2.gz IRFRJPZDKNGXJH-UHFFFAOYSA-N -1 1 350.378 2.402 20 0 FEADMM COc1ccc(CCCNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000121714199 543698608 /nfs/dbraw/zinc/69/86/08/543698608.db2.gz VCNIPAHDJBCKNI-UHFFFAOYSA-N -1 1 367.405 2.303 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(CO)C3)cc2)c1C ZINC000122794577 543724121 /nfs/dbraw/zinc/72/41/21/543724121.db2.gz IBYREYLSWXXOEA-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000124314950 543813115 /nfs/dbraw/zinc/81/31/15/543813115.db2.gz OJBROKFXLMAJIJ-CMPLNLGQSA-N -1 1 356.434 2.100 20 0 FEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Br)CN1C1CC1 ZINC000123981738 543794513 /nfs/dbraw/zinc/79/45/13/543794513.db2.gz DTXKEFMZOKYTNB-BDAKNGLRSA-N -1 1 365.318 2.414 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)CCO)c1 ZINC000128024474 544028192 /nfs/dbraw/zinc/02/81/92/544028192.db2.gz JVOJNSOTOKEZRH-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM CSC[C@@H](C)NC(=O)c1cc(I)ccc1[O-] ZINC000128475134 544054689 /nfs/dbraw/zinc/05/46/89/544054689.db2.gz PWZJUOTWMKUQDS-SSDOTTSWSA-N -1 1 351.209 2.478 20 0 FEADMM O=C(c1ccc(OCc2ccccn2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129298195 544103509 /nfs/dbraw/zinc/10/35/09/544103509.db2.gz BRPKQXRSHXORBH-HNNXBMFYSA-N -1 1 364.409 2.194 20 0 FEADMM Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129309217 544104493 /nfs/dbraw/zinc/10/44/93/544104493.db2.gz AMQDHMMBMKPEOE-SNVBAGLBSA-N -1 1 350.220 2.290 20 0 FEADMM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000129500835 544115831 /nfs/dbraw/zinc/11/58/31/544115831.db2.gz FCNQLYGRJJNFMZ-UHFFFAOYSA-N -1 1 359.300 2.496 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129517826 544116288 /nfs/dbraw/zinc/11/62/88/544116288.db2.gz BXRYDBSFFSQUOH-JTQLQIEISA-N -1 1 350.220 2.290 20 0 FEADMM COc1ccc2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c(C)nc2c1 ZINC000129519207 544116728 /nfs/dbraw/zinc/11/67/28/544116728.db2.gz LHVOURVIBSWNLY-ZDUSSCGKSA-N -1 1 352.398 2.085 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2CSC)o1 ZINC000130021625 544135850 /nfs/dbraw/zinc/13/58/50/544135850.db2.gz DHOSOMGAZYMXBN-UHFFFAOYSA-N -1 1 372.443 2.120 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000131554961 544195549 /nfs/dbraw/zinc/19/55/49/544195549.db2.gz KGNLWBGXWAJKJN-ZDUSSCGKSA-N -1 1 363.845 2.493 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1nnc(-c3ccccc3)s1)c2=O ZINC000132841045 544245353 /nfs/dbraw/zinc/24/53/53/544245353.db2.gz KYYSWKMSBLUZQQ-UHFFFAOYSA-N -1 1 366.406 2.122 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)co1 ZINC000132863623 544246407 /nfs/dbraw/zinc/24/64/07/544246407.db2.gz BIPPJEVLPYHANL-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1)C(=O)C2 ZINC000133248779 544261732 /nfs/dbraw/zinc/26/17/32/544261732.db2.gz QQDSGPUSFQLZGG-BTDLBPIBSA-N -1 1 368.430 2.062 20 0 FEADMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000133034284 544253111 /nfs/dbraw/zinc/25/31/11/544253111.db2.gz VQJLHDBSZTXPLK-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)ccc1C ZINC000134461758 544308982 /nfs/dbraw/zinc/30/89/82/544308982.db2.gz IUOHHSJEKNOJGM-QHCPKHFHSA-N -1 1 366.464 2.492 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cccc2cnccc21 ZINC000135796835 544361247 /nfs/dbraw/zinc/36/12/47/544361247.db2.gz MGGGVZHZKRSXRG-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCc2cc(Cl)cc(Cl)c2)n1 ZINC000136247880 544369715 /nfs/dbraw/zinc/36/97/15/544369715.db2.gz IPIRTBATWGXISP-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCc2cc(Cl)cc(Cl)c2)[n-]1 ZINC000136247880 544369716 /nfs/dbraw/zinc/36/97/16/544369716.db2.gz IPIRTBATWGXISP-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM CCC[C@@H](NC(=O)CN[C@H](c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC000136674710 544376320 /nfs/dbraw/zinc/37/63/20/544376320.db2.gz YSIGBDSLOZOOEE-DGCLKSJQSA-N -1 1 356.352 2.050 20 0 FEADMM CCC[C@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1)c1nn[n-]n1 ZINC000136738245 544378036 /nfs/dbraw/zinc/37/80/36/544378036.db2.gz PAQWRFAEZJSLRD-LBPRGKRZSA-N -1 1 372.408 2.314 20 0 FEADMM C[C@](NC(=O)c1cc(Br)ccc1[O-])(C(N)=O)c1ccccc1 ZINC000150785897 544471346 /nfs/dbraw/zinc/47/13/46/544471346.db2.gz MGBXCMLYRFYJSB-MRXNPFEDSA-N -1 1 363.211 2.285 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)n[n-]1 ZINC000151123740 544508031 /nfs/dbraw/zinc/50/80/31/544508031.db2.gz FAYZSMDXHOSYFT-SNVBAGLBSA-N -1 1 370.862 2.014 20 0 FEADMM CC(C)n1cnc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000151754572 544576561 /nfs/dbraw/zinc/57/65/61/544576561.db2.gz MLWBGIDOHUEDKV-OAHLLOKOSA-N -1 1 362.499 2.189 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)co1 ZINC000153012294 544722869 /nfs/dbraw/zinc/72/28/69/544722869.db2.gz JCNSXVQYROBAID-CABZTGNLSA-N -1 1 372.805 2.266 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCN(c4ncccc4F)C3)cnc2n1 ZINC000153340603 544763069 /nfs/dbraw/zinc/76/30/69/544763069.db2.gz SZWCCKOUNVVYRN-LBPRGKRZSA-N -1 1 367.384 2.187 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCN(c3ncccc3F)C1)c2=O ZINC000153340603 544763074 /nfs/dbraw/zinc/76/30/74/544763074.db2.gz SZWCCKOUNVVYRN-LBPRGKRZSA-N -1 1 367.384 2.187 20 0 FEADMM O=C([N-]CCCN1CCO[C@@H](c2ccc(F)c(F)c2)C1)C(F)(F)F ZINC000154798535 544951005 /nfs/dbraw/zinc/95/10/05/544951005.db2.gz YYCPZKHCYAQDGQ-CYBMUJFWSA-N -1 1 352.303 2.407 20 0 FEADMM CCN1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000154517752 544916047 /nfs/dbraw/zinc/91/60/47/544916047.db2.gz UCCNIKFTGMIARL-UHFFFAOYSA-N -1 1 365.268 2.351 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1nc(C(C)(C)C)no1 ZINC000155158206 544995944 /nfs/dbraw/zinc/99/59/44/544995944.db2.gz PRWNLHWNSUSIHA-ZETCQYMHSA-N -1 1 359.839 2.037 20 0 FEADMM CC[C@H](CNC(=O)c1coc(S(=O)(=O)[N-]C)c1)Oc1ccccc1C ZINC000155267068 545006757 /nfs/dbraw/zinc/00/67/57/545006757.db2.gz UMTZCPLMPAMSRB-CQSZACIVSA-N -1 1 366.439 2.084 20 0 FEADMM O=C(NC1(CCO)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000552689349 674220337 /nfs/dbraw/zinc/22/03/37/674220337.db2.gz YDINJLOHJLMUJY-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM COc1ccc(NC(=O)Cc2cnccc2Cl)cc1[N-]S(C)(=O)=O ZINC000552928010 674230087 /nfs/dbraw/zinc/23/00/87/674230087.db2.gz NZAYRGFTTNDGHU-UHFFFAOYSA-N -1 1 369.830 2.296 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCCOC(C)(C)C)cc1 ZINC000803748427 674257955 /nfs/dbraw/zinc/25/79/55/674257955.db2.gz DUQHIBHROLKKJU-UHFFFAOYSA-N -1 1 351.399 2.090 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1 ZINC000553557079 674270464 /nfs/dbraw/zinc/27/04/64/674270464.db2.gz SRQBYLRRBLNNNI-CYBMUJFWSA-N -1 1 359.817 2.241 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(=O)N2CCOCC2)c1 ZINC000182902155 327792977 /nfs/dbraw/zinc/79/29/77/327792977.db2.gz UUJCSBMVCIUSET-UHFFFAOYSA-N -1 1 371.231 2.041 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000182917203 327793474 /nfs/dbraw/zinc/79/34/74/327793474.db2.gz LDCLVSAMABEFMN-UHFFFAOYSA-N -1 1 352.188 2.416 20 0 FEADMM C[C@@]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)(C(N)=O)c1ccccc1 ZINC000553765903 674284794 /nfs/dbraw/zinc/28/47/94/674284794.db2.gz BGJXVKLLWLNRBV-HNNXBMFYSA-N -1 1 374.796 2.297 20 0 FEADMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000185266352 327909184 /nfs/dbraw/zinc/90/91/84/327909184.db2.gz ZJUJSULZWRSANU-SGJFDWMWSA-N -1 1 370.215 2.333 20 0 FEADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)ccc2[nH]1 ZINC000553856859 674289590 /nfs/dbraw/zinc/28/95/90/674289590.db2.gz KQJBVTOJVGQRTC-UHFFFAOYSA-N -1 1 355.375 2.161 20 0 FEADMM CCOc1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)cc(Cl)c1[O-] ZINC000186845285 327986109 /nfs/dbraw/zinc/98/61/09/327986109.db2.gz GRHXBXCKHIPXAD-UHFFFAOYSA-N -1 1 364.833 2.140 20 0 FEADMM CCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1ccc(Cl)cc1 ZINC000187305482 328015166 /nfs/dbraw/zinc/01/51/66/328015166.db2.gz DGAVGQCMLXBHCH-NSHDSACASA-N -1 1 373.848 2.477 20 0 FEADMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1=O ZINC000187949559 328055682 /nfs/dbraw/zinc/05/56/82/328055682.db2.gz PUGJCLXFZFRYLY-SECBINFHSA-N -1 1 369.245 2.420 20 0 FEADMM C[C@H](CN(C)C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nn[n-]n1 ZINC000188092068 328065253 /nfs/dbraw/zinc/06/52/53/328065253.db2.gz WQSMZSGHTKLMJL-SSDOTTSWSA-N -1 1 351.823 2.180 20 0 FEADMM O=S(=O)([N-]CCN1CCCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000188237972 328075032 /nfs/dbraw/zinc/07/50/32/328075032.db2.gz BLISTKIXDLSRHZ-UHFFFAOYSA-N -1 1 371.261 2.133 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000188555584 328095042 /nfs/dbraw/zinc/09/50/42/328095042.db2.gz DGECUURUBAGIRP-MRVPVSSYSA-N -1 1 368.237 2.384 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)ccc1F ZINC000188574952 328096170 /nfs/dbraw/zinc/09/61/70/328096170.db2.gz ORPHVKXIOHFHEA-UHFFFAOYSA-N -1 1 350.375 2.225 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(F)cc1Br)c1nn[n-]n1 ZINC000188965474 328120555 /nfs/dbraw/zinc/12/05/55/328120555.db2.gz VSPSVKNXOCMQKN-NSHDSACASA-N -1 1 356.199 2.301 20 0 FEADMM O=S(=O)([N-]CCc1nnc(-c2ccccc2)[nH]1)c1c(F)cccc1F ZINC000189169414 328133019 /nfs/dbraw/zinc/13/30/19/328133019.db2.gz VLMDSJDOUZAGPL-UHFFFAOYSA-N -1 1 364.377 2.271 20 0 FEADMM CCc1cc2c(CN3CC[C@H](C)S(=O)(=O)CC3)cc(=O)oc2cc1[O-] ZINC000191756116 328280322 /nfs/dbraw/zinc/28/03/22/328280322.db2.gz MNVQJKIATQPFAH-LBPRGKRZSA-N -1 1 365.451 2.070 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(OC(C)C)cc2)o1 ZINC000192263499 328309682 /nfs/dbraw/zinc/30/96/82/328309682.db2.gz CQXZMZMOFUUXNL-UHFFFAOYSA-N -1 1 352.412 2.252 20 0 FEADMM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000192693474 328333718 /nfs/dbraw/zinc/33/37/18/328333718.db2.gz IXGZCLDFVBVCBV-UHFFFAOYSA-N -1 1 373.840 2.103 20 0 FEADMM O=C(NCCCCCO)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000193267949 328366345 /nfs/dbraw/zinc/36/63/45/328366345.db2.gz ZRAZQDWFECWQEY-UHFFFAOYSA-N -1 1 362.451 2.380 20 0 FEADMM CCOC(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000193562957 328381802 /nfs/dbraw/zinc/38/18/02/328381802.db2.gz CMDBEMPGQGDFJW-UHFFFAOYSA-N -1 1 351.362 2.030 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000194793123 328440497 /nfs/dbraw/zinc/44/04/97/328440497.db2.gz AHWYCBCVFPCZBO-UHFFFAOYSA-N -1 1 370.434 2.375 20 0 FEADMM NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000011639363 324370836 /nfs/dbraw/zinc/37/08/36/324370836.db2.gz NJHZETGXKNRJBD-UHFFFAOYSA-N -1 1 371.212 2.054 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000077958019 325027001 /nfs/dbraw/zinc/02/70/01/325027001.db2.gz GPMQGTRYUQGKQT-UHFFFAOYSA-N -1 1 360.313 2.327 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000078776192 325061351 /nfs/dbraw/zinc/06/13/51/325061351.db2.gz VZEMSDOXKCFHAY-UHFFFAOYSA-N -1 1 357.410 2.092 20 0 FEADMM CN1CCN(c2cc(CNC(=O)c3ccc([O-])c(Cl)c3)ccn2)CC1 ZINC000079570547 325097248 /nfs/dbraw/zinc/09/72/48/325097248.db2.gz NDZUGCYATHIBTD-UHFFFAOYSA-N -1 1 360.845 2.122 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)o1 ZINC000079692756 325102625 /nfs/dbraw/zinc/10/26/25/325102625.db2.gz MUEFAWBSDQUYBZ-UHFFFAOYSA-N -1 1 361.379 2.459 20 0 FEADMM CCOC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000081602539 325188481 /nfs/dbraw/zinc/18/84/81/325188481.db2.gz VCXYJOWXVLWOEZ-UHFFFAOYSA-N -1 1 371.437 2.483 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000081601559 325188675 /nfs/dbraw/zinc/18/86/75/325188675.db2.gz WZTCAXHWSRRXMB-LLVKDONJSA-N -1 1 358.467 2.394 20 0 FEADMM CC[C@@H](NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1)C(=O)OC ZINC000084371395 325234166 /nfs/dbraw/zinc/23/41/66/325234166.db2.gz WCDMJAQKHDYXSV-CYBMUJFWSA-N -1 1 362.455 2.374 20 0 FEADMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000105390860 325566872 /nfs/dbraw/zinc/56/68/72/325566872.db2.gz VQYQZZCAHYOOAD-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCOC1 ZINC000106840299 325612761 /nfs/dbraw/zinc/61/27/61/325612761.db2.gz JSEPIBCTRUOLDB-MRXNPFEDSA-N -1 1 360.435 2.348 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(COCC3CC3)c2)o1 ZINC000109176602 325661222 /nfs/dbraw/zinc/66/12/22/325661222.db2.gz QPGBURDQHYBXBE-UHFFFAOYSA-N -1 1 364.423 2.367 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cnn(CC(F)F)c1 ZINC000116841355 326038641 /nfs/dbraw/zinc/03/86/41/326038641.db2.gz LIDZKVOUYNMUEZ-UHFFFAOYSA-N -1 1 364.356 2.085 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccncc1 ZINC000117664864 326066001 /nfs/dbraw/zinc/06/60/01/326066001.db2.gz YOIIIFRMIJKANC-UHFFFAOYSA-N -1 1 351.428 2.418 20 0 FEADMM COCCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000118944553 326112085 /nfs/dbraw/zinc/11/20/85/326112085.db2.gz PGGARZUHGRHBPO-ZDUSSCGKSA-N -1 1 361.467 2.379 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)co1 ZINC000118962027 326113636 /nfs/dbraw/zinc/11/36/36/326113636.db2.gz IZSPQIFCRGZWBW-UHFFFAOYSA-N -1 1 374.422 2.243 20 0 FEADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119396296 326157869 /nfs/dbraw/zinc/15/78/69/326157869.db2.gz DTWSJXXGIFKUFV-MEDUHNTESA-N -1 1 352.394 2.138 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000119439600 326162712 /nfs/dbraw/zinc/16/27/12/326162712.db2.gz MKEDIJFJEJZNSO-LBPRGKRZSA-N -1 1 354.453 2.399 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCOC1CCCC1 ZINC000119729043 326192173 /nfs/dbraw/zinc/19/21/73/326192173.db2.gz WMNZZADVGYWNGE-UHFFFAOYSA-N -1 1 360.458 2.450 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCO)ccc2C)cc1 ZINC000120472938 326261345 /nfs/dbraw/zinc/26/13/45/326261345.db2.gz XSWRRHHVQVGVBN-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM O=C(NCc1cccc(OCCN2CCOCC2)c1)c1c([O-])cccc1F ZINC000120938202 326300197 /nfs/dbraw/zinc/30/01/97/326300197.db2.gz DVAVVGQYOJAXRL-UHFFFAOYSA-N -1 1 374.412 2.172 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H](C)C1 ZINC000121507844 326343705 /nfs/dbraw/zinc/34/37/05/326343705.db2.gz VXKRWYFZPDVRCA-GHMZBOCLSA-N -1 1 364.464 2.006 20 0 FEADMM O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000122038805 326381608 /nfs/dbraw/zinc/38/16/08/326381608.db2.gz MZDYLGXVRZFZHG-LBPRGKRZSA-N -1 1 361.423 2.078 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCOc2c(C)cccc2C)co1 ZINC000122354338 326393685 /nfs/dbraw/zinc/39/36/85/326393685.db2.gz QEWXVWUNYJVOKT-UHFFFAOYSA-N -1 1 366.439 2.003 20 0 FEADMM C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000125266793 326468546 /nfs/dbraw/zinc/46/85/46/326468546.db2.gz GVFLIRAUQDASOY-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000128332684 326521864 /nfs/dbraw/zinc/52/18/64/326521864.db2.gz KPLOWCGIWBRPPN-GOEBONIOSA-N -1 1 358.442 2.012 20 0 FEADMM COc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)cc(Cl)c1[O-] ZINC000153683920 326739720 /nfs/dbraw/zinc/73/97/20/326739720.db2.gz UZMXXUJEVQFGBQ-VIFPVBQESA-N -1 1 352.774 2.082 20 0 FEADMM COc1cc(C(=O)NCC2(C(=O)N(C)C)CCCC2)cc(Cl)c1[O-] ZINC000153821665 326743796 /nfs/dbraw/zinc/74/37/96/326743796.db2.gz MHTGBGPUGZLFFA-UHFFFAOYSA-N -1 1 354.834 2.433 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Sc2ccccc2)co1 ZINC000153940593 326746894 /nfs/dbraw/zinc/74/68/94/326746894.db2.gz MKFQXYWYLRNEQO-NSHDSACASA-N -1 1 354.453 2.098 20 0 FEADMM CC[C@@H](CCO)CNC(=O)c1cc(I)ccc1[O-] ZINC000155465612 326788791 /nfs/dbraw/zinc/78/87/91/326788791.db2.gz RBCWAGVATUOKCU-VIFPVBQESA-N -1 1 363.195 2.135 20 0 FEADMM CCc1ccc(C(C)(C)NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000155570627 326794007 /nfs/dbraw/zinc/79/40/07/326794007.db2.gz REMKXPNWYOFSIN-UHFFFAOYSA-N -1 1 350.440 2.415 20 0 FEADMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000158430221 326895783 /nfs/dbraw/zinc/89/57/83/326895783.db2.gz MQTJTMJXWCSXOW-QMMMGPOBSA-N -1 1 372.231 2.413 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164614194 327072452 /nfs/dbraw/zinc/07/24/52/327072452.db2.gz QARFFEDGGJQNBF-STQMWFEESA-N -1 1 361.467 2.440 20 0 FEADMM Cc1n[nH]cc1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000171017268 327112731 /nfs/dbraw/zinc/11/27/31/327112731.db2.gz OXYJNQIZVGAWGI-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cc1ccc([C@H](O)CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000171253224 327127907 /nfs/dbraw/zinc/12/79/07/327127907.db2.gz ULSCRWCVMXKACW-QGZVFWFLSA-N -1 1 368.437 2.143 20 0 FEADMM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000171298124 327130258 /nfs/dbraw/zinc/13/02/58/327130258.db2.gz GQGVKBSGVWZIMD-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)c1 ZINC000172887812 327224750 /nfs/dbraw/zinc/22/47/50/327224750.db2.gz NRXBPKBOVGEITJ-UHFFFAOYSA-N -1 1 372.443 2.397 20 0 FEADMM CCn1nc(C)c([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1C ZINC000172905319 327225748 /nfs/dbraw/zinc/22/57/48/327225748.db2.gz YOXNMSVYUHYCNL-UHFFFAOYSA-N -1 1 353.444 2.349 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)no1 ZINC000173399557 327253730 /nfs/dbraw/zinc/25/37/30/327253730.db2.gz YFHZVFXFLPLZSY-UHFFFAOYSA-N -1 1 353.734 2.111 20 0 FEADMM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000173747119 327281125 /nfs/dbraw/zinc/28/11/25/327281125.db2.gz VXTIPBOERREBFA-NSHDSACASA-N -1 1 367.331 2.262 20 0 FEADMM Cc1ccc(O[C@@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000174088313 327305677 /nfs/dbraw/zinc/30/56/77/327305677.db2.gz NPDITHSVYHCFBQ-ZDUSSCGKSA-N -1 1 368.437 2.074 20 0 FEADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000174267711 327316237 /nfs/dbraw/zinc/31/62/37/327316237.db2.gz FGZHSHYSCPQCTR-UHFFFAOYSA-N -1 1 359.451 2.263 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(NS(C)(=O)=O)c1 ZINC000174672619 327342787 /nfs/dbraw/zinc/34/27/87/327342787.db2.gz UHFHHAWXOANRMD-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)N1CCOCC1 ZINC000175292151 327384968 /nfs/dbraw/zinc/38/49/68/327384968.db2.gz XRGVUYYUYPPADW-KRWDZBQOSA-N -1 1 356.422 2.159 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)o1 ZINC000177526227 327528475 /nfs/dbraw/zinc/52/84/75/327528475.db2.gz LLWMTFRBFQXITB-UHFFFAOYSA-N -1 1 359.350 2.256 20 0 FEADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000178726756 327602610 /nfs/dbraw/zinc/60/26/10/327602610.db2.gz OBRMVDGNMPTTND-PELKAZGASA-N -1 1 363.195 2.134 20 0 FEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000178791552 327607092 /nfs/dbraw/zinc/60/70/92/327607092.db2.gz HMXNRYNLHDQNED-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247298972 328679181 /nfs/dbraw/zinc/67/91/81/328679181.db2.gz HTBRUHDLZFWIEB-XHSDSOJGSA-N -1 1 358.442 2.058 20 0 FEADMM CCC[C@@H](NCC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C(=O)[O-] ZINC000262284705 328856602 /nfs/dbraw/zinc/85/66/02/328856602.db2.gz LWRVDNJKZLMOCC-CVEARBPZSA-N -1 1 364.442 2.210 20 0 FEADMM CC(C)CN1CCN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000263470739 328942257 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FEADMM COCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC000266753941 329256558 /nfs/dbraw/zinc/25/65/58/329256558.db2.gz DHLWRQZFCANCBZ-UHFFFAOYSA-N -1 1 373.358 2.251 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)OC)c1C)c1ccco1 ZINC000267084165 329290014 /nfs/dbraw/zinc/29/00/14/329290014.db2.gz STZWPFVWVNYIFU-ZDUSSCGKSA-N -1 1 353.396 2.041 20 0 FEADMM CNS(=O)(=O)c1csc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1 ZINC000267122687 329294017 /nfs/dbraw/zinc/29/40/17/329294017.db2.gz FEHJRGJOFOPLPJ-UHFFFAOYSA-N -1 1 360.486 2.058 20 0 FEADMM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000267147950 329296771 /nfs/dbraw/zinc/29/67/71/329296771.db2.gz ZOVQVZKDHAVOAA-QGZVFWFLSA-N -1 1 361.438 2.420 20 0 FEADMM COc1ccccc1O[C@H](C)CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000267194541 329301284 /nfs/dbraw/zinc/30/12/84/329301284.db2.gz XFSLZOGLTISRQA-SNVBAGLBSA-N -1 1 363.439 2.418 20 0 FEADMM CCC(CC)(CC(=O)OC)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000267265721 329308718 /nfs/dbraw/zinc/30/87/18/329308718.db2.gz 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ZINC000270082801 329573463 /nfs/dbraw/zinc/57/34/63/329573463.db2.gz NADOCFKDXOPGNH-UHFFFAOYSA-N -1 1 354.403 2.378 20 0 FEADMM COc1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1[N-]S(C)(=O)=O ZINC000270207310 329582302 /nfs/dbraw/zinc/58/23/02/329582302.db2.gz MVNDJIHJUDTQJU-LLVKDONJSA-N -1 1 359.473 2.036 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC[C@H]2CCOC2)c1)OCC(F)(F)F ZINC000271251228 329676993 /nfs/dbraw/zinc/67/69/93/329676993.db2.gz KNASXUVQTRBPNJ-SECBINFHSA-N -1 1 362.304 2.269 20 0 FEADMM CC[C@](C)(CO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000272735514 329808936 /nfs/dbraw/zinc/80/89/36/329808936.db2.gz BKYYLYQTSOFCKX-CQSZACIVSA-N -1 1 364.320 2.394 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000272860846 329818669 /nfs/dbraw/zinc/81/86/69/329818669.db2.gz QJAKJYGRTTWQMS-MRXNPFEDSA-N -1 1 351.424 2.010 20 0 FEADMM COc1ccc(NC(=O)NCCCCOC(C)C)cc1[N-]S(C)(=O)=O ZINC000273024283 329830991 /nfs/dbraw/zinc/83/09/91/329830991.db2.gz XKIZHAJWMCJRML-UHFFFAOYSA-N -1 1 373.475 2.393 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC[C@H]2CCO[C@H](C)C2)c(=O)[n-]1 ZINC000273622416 329879657 /nfs/dbraw/zinc/87/96/57/329879657.db2.gz VXEAAJZBIFTZKQ-YPMHNXCESA-N -1 1 353.488 2.467 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1sccc1OC)c1ccc(F)c(C)c1 ZINC000274257276 329931718 /nfs/dbraw/zinc/93/17/18/329931718.db2.gz JRCVHRTYQRMGRY-CYBMUJFWSA-N -1 1 373.427 2.397 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1cccc(F)c1F ZINC000361449890 330204204 /nfs/dbraw/zinc/20/42/04/330204204.db2.gz LBZSTTXOHHIJFW-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc([O-])cc1F)CC2 ZINC000367164160 330224520 /nfs/dbraw/zinc/22/45/20/330224520.db2.gz NUVANVAUDJBLNP-UHFFFAOYSA-N -1 1 363.410 2.176 20 0 FEADMM NC(=O)[C@H](Cc1ccc(Cl)cc1)[N-]C(=O)C(F)(F)c1nccs1 ZINC000804891270 674305586 /nfs/dbraw/zinc/30/55/86/674305586.db2.gz JDQYEGGORRYEFH-JTQLQIEISA-N -1 1 359.785 2.101 20 0 FEADMM CSCCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805132130 674321611 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Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c(C(F)(F)F)n1 ZINC000555296669 674355411 /nfs/dbraw/zinc/35/54/11/674355411.db2.gz GCPNZYUFROFLAF-NSHDSACASA-N -1 1 359.373 2.447 20 0 FEADMM C[C@H](C(=O)[N-]S(=O)(=O)C1(C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000806027762 674363809 /nfs/dbraw/zinc/36/38/09/674363809.db2.gz RMWGXLDYGZDLCJ-OAHLLOKOSA-N -1 1 364.511 2.328 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1c[nH]c2ncccc12 ZINC000555530332 674364997 /nfs/dbraw/zinc/36/49/97/674364997.db2.gz IDECKSPJFVKGDF-UHFFFAOYSA-N -1 1 358.358 2.288 20 0 FEADMM Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000156157144 545603501 /nfs/dbraw/zinc/60/35/01/545603501.db2.gz AXZHJAILPAEPLO-LBPRGKRZSA-N -1 1 364.247 2.219 20 0 FEADMM CC(C)c1nncn1CCNC(=O)c1ccc(Br)cc1[O-] ZINC000156197350 545607103 /nfs/dbraw/zinc/60/71/03/545607103.db2.gz YNJPGSQXMBYFBU-UHFFFAOYSA-N -1 1 353.220 2.300 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cnn(CC(C)C)c2)c1 ZINC000156346583 545619978 /nfs/dbraw/zinc/61/99/78/545619978.db2.gz SQWXVHONGISTKM-UHFFFAOYSA-N -1 1 355.391 2.486 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000156938926 545679553 /nfs/dbraw/zinc/67/95/53/545679553.db2.gz AYQRKEPMGTWMMU-UHFFFAOYSA-N -1 1 370.793 2.142 20 0 FEADMM Cc1c([C@@H](C)NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cnn1C ZINC000477461654 561145632 /nfs/dbraw/zinc/14/56/32/561145632.db2.gz BVCJTWQCCYAROW-GFCCVEGCSA-N -1 1 366.425 2.014 20 0 FEADMM Cc1noc(-c2ccccc2)c1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000478078217 561159641 /nfs/dbraw/zinc/15/96/41/561159641.db2.gz FENHIYHXYTUKMA-UHFFFAOYSA-N -1 1 352.350 2.119 20 0 FEADMM Cc1cc2sc(NC(=O)CNC(=O)c3ncccc3[O-])nc2cc1F ZINC000478101615 561160064 /nfs/dbraw/zinc/16/00/64/561160064.db2.gz LWMRETPUSNLIHT-UHFFFAOYSA-N -1 1 360.370 2.213 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000478687161 561172703 /nfs/dbraw/zinc/17/27/03/561172703.db2.gz RJDCLYQJDBXMJF-UHFFFAOYSA-N -1 1 365.363 2.011 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCc1ccc(Cl)cc1Cl ZINC000479013949 561179809 /nfs/dbraw/zinc/17/98/09/561179809.db2.gz FELCVSFBCXRTRX-UHFFFAOYSA-N -1 1 368.220 2.183 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(C)c(OC)c2)o1 ZINC000479210134 561184942 /nfs/dbraw/zinc/18/49/42/561184942.db2.gz YTRHLMYAUXKFIB-UHFFFAOYSA-N -1 1 367.423 2.294 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1)OCO2 ZINC000479253823 561186010 /nfs/dbraw/zinc/18/60/10/561186010.db2.gz MLEJSHCTSXMNNO-UHFFFAOYSA-N -1 1 362.407 2.226 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1nn[n-]n1 ZINC000176751111 546483103 /nfs/dbraw/zinc/48/31/03/546483103.db2.gz RDVQICPYJSUJOC-INIZCTEOSA-N -1 1 352.398 2.445 20 0 FEADMM CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nn[n-]n1 ZINC000176760635 546485206 /nfs/dbraw/zinc/48/52/06/546485206.db2.gz KIMJFSJPIODGTI-HOTGVXAUSA-N -1 1 370.457 2.018 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nn[n-]n1 ZINC000176786949 546487497 /nfs/dbraw/zinc/48/74/97/546487497.db2.gz XYVRHOBDABJXBJ-CYBMUJFWSA-N -1 1 353.386 2.398 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000176845382 546496094 /nfs/dbraw/zinc/49/60/94/546496094.db2.gz MRXRYRVHLVDAPA-INIZCTEOSA-N -1 1 363.417 2.397 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)c1 ZINC000480837425 561217872 /nfs/dbraw/zinc/21/78/72/561217872.db2.gz DQULGIKXEWHVKB-CYBMUJFWSA-N -1 1 351.380 2.128 20 0 FEADMM C[C@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1F ZINC000179541442 546974082 /nfs/dbraw/zinc/97/40/82/546974082.db2.gz USJVIKHUQGXVJO-SNVBAGLBSA-N -1 1 352.387 2.311 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)c(C)c1F ZINC000181146456 547257648 /nfs/dbraw/zinc/25/76/48/547257648.db2.gz RLFQNYOOBOCHKE-UHFFFAOYSA-N -1 1 366.370 2.388 20 0 FEADMM NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000182009767 547421691 /nfs/dbraw/zinc/42/16/91/547421691.db2.gz BYWNSFIDGATNOC-UHFFFAOYSA-N -1 1 374.340 2.452 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)o1 ZINC000182272870 547464427 /nfs/dbraw/zinc/46/44/27/547464427.db2.gz XUUCOZMFPPQWBP-UHFFFAOYSA-N -1 1 356.787 2.296 20 0 FEADMM CC[C@H](CSC)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000182570590 547515193 /nfs/dbraw/zinc/51/51/93/547515193.db2.gz CHLAYYXTJFKRNI-CQSZACIVSA-N -1 1 360.483 2.331 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](CC(F)(F)F)c1ccccc1 ZINC000484284793 561295527 /nfs/dbraw/zinc/29/55/27/561295527.db2.gz YDUCTZCJDDXANS-GFCCVEGCSA-N -1 1 367.327 2.327 20 0 FEADMM O=S(=O)([N-][C@H]1CCCOCC1)c1cc(Br)cnc1Cl ZINC000183384962 547648650 /nfs/dbraw/zinc/64/86/50/547648650.db2.gz JUMMRLJHRUTAPI-VIFPVBQESA-N -1 1 369.668 2.345 20 0 FEADMM C[C@H](CN(C)C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nn[n-]n1 ZINC000183420240 547654962 /nfs/dbraw/zinc/65/49/62/547654962.db2.gz YKTSHABLHTVCKE-GFCCVEGCSA-N -1 1 363.849 2.163 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccc(OCc2cccnc2)c1)c1nn[n-]n1 ZINC000183451023 547661768 /nfs/dbraw/zinc/66/17/68/547661768.db2.gz LAQSVQNQJGWUHA-ZDUSSCGKSA-N -1 1 352.398 2.049 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(CC(=O)N(C)C)cc1 ZINC000484598578 561300878 /nfs/dbraw/zinc/30/08/78/561300878.db2.gz MPJVMFAZPGGVRO-UHFFFAOYSA-N -1 1 362.451 2.265 20 0 FEADMM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)cc1[O-] ZINC000184178382 547782441 /nfs/dbraw/zinc/78/24/41/547782441.db2.gz WSBFMLZYHLAUAZ-UHFFFAOYSA-N -1 1 362.183 2.254 20 0 FEADMM Cc1nnc(CNC(=O)c2ccc(Br)c([O-])c2)n1C1CC1 ZINC000184185807 547783537 /nfs/dbraw/zinc/78/35/37/547783537.db2.gz HMOJZYGTQMOJIB-UHFFFAOYSA-N -1 1 351.204 2.320 20 0 FEADMM CCCN(CCc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000184364251 547813898 /nfs/dbraw/zinc/81/38/98/547813898.db2.gz AZCWBUKWNARVAQ-UHFFFAOYSA-N -1 1 356.469 2.344 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)COC4)cc3c2N1CCC3 ZINC000184899073 547895930 /nfs/dbraw/zinc/89/59/30/547895930.db2.gz BPPYSIZMHRMSHD-UHFFFAOYSA-N -1 1 370.430 2.353 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc(C(=O)[O-])c1Cl ZINC000185106369 547935184 /nfs/dbraw/zinc/93/51/84/547935184.db2.gz FFMTYBWIBRNFLT-WDEREUQCSA-N -1 1 372.874 2.250 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CSc2ccc(C)cc2)o1 ZINC000185213999 547953129 /nfs/dbraw/zinc/95/31/29/547953129.db2.gz IFCNMDXCNXCXAS-LBPRGKRZSA-N -1 1 368.480 2.407 20 0 FEADMM O=c1cc(/C=C/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)nc2nc[n-]n21 ZINC000486122302 561338528 /nfs/dbraw/zinc/33/85/28/561338528.db2.gz JQNZSAAMKAWQIX-OWOJBTEDSA-N -1 1 374.191 2.476 20 0 FEADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)[nH]n2)o1 ZINC000486195159 561340644 /nfs/dbraw/zinc/34/06/44/561340644.db2.gz UOYONETWHUCOGE-UHFFFAOYSA-N -1 1 368.349 2.045 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)ccc1F ZINC000194666711 548513286 /nfs/dbraw/zinc/51/32/86/548513286.db2.gz DYEBPVWNUWDVFB-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC000195075859 548574209 /nfs/dbraw/zinc/57/42/09/548574209.db2.gz QRJMHVBMLPXCOR-GXTWGEPZSA-N -1 1 353.488 2.136 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195126139 548581031 /nfs/dbraw/zinc/58/10/31/548581031.db2.gz OOMQHFOPHAXBSM-SNVBAGLBSA-N -1 1 368.434 2.078 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195126139 548581037 /nfs/dbraw/zinc/58/10/37/548581037.db2.gz OOMQHFOPHAXBSM-SNVBAGLBSA-N -1 1 368.434 2.078 20 0 FEADMM COc1cc(NC(=O)N2CC(C)(C)OC[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000486952138 561360095 /nfs/dbraw/zinc/36/00/95/561360095.db2.gz XMVBUSJROMJKJC-NSHDSACASA-N -1 1 371.459 2.098 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(N)=O)c2)cc1 ZINC000487374642 561368695 /nfs/dbraw/zinc/36/86/95/561368695.db2.gz DGKPRWHFVKAWCK-UHFFFAOYSA-N -1 1 365.411 2.133 20 0 FEADMM C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1C(=O)[O-] ZINC000235400230 548766205 /nfs/dbraw/zinc/76/62/05/548766205.db2.gz SXUCUTBQNFOYPD-MWLCHTKSSA-N -1 1 356.216 2.373 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCO[C@H]2CCC[C@@H]21 ZINC000236568493 548767023 /nfs/dbraw/zinc/76/70/23/548767023.db2.gz WRMAJASGFUPFAM-AAEUAGOBSA-N -1 1 373.190 2.390 20 0 FEADMM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cc(I)ccc1[O-] ZINC000236572581 548767213 /nfs/dbraw/zinc/76/72/13/548767213.db2.gz CQXOFAUBZLMYOK-DGCLKSJQSA-N -1 1 373.190 2.294 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000237565295 548835836 /nfs/dbraw/zinc/83/58/36/548835836.db2.gz TZSHMOXGHAXUON-OCCSQVGLSA-N -1 1 354.472 2.092 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000488233300 561386570 /nfs/dbraw/zinc/38/65/70/561386570.db2.gz PHPMWSURVRNORW-GOSISDBHSA-N -1 1 373.434 2.104 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000489510746 561413300 /nfs/dbraw/zinc/41/33/00/561413300.db2.gz OWTCBZXRCNEMBC-HZPDHXFCSA-N -1 1 353.422 2.045 20 0 FEADMM C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(N)=O ZINC000490078252 561426045 /nfs/dbraw/zinc/42/60/45/561426045.db2.gz GWOHDRLYCHUBPH-RFAUZJTJSA-N -1 1 372.368 2.040 20 0 FEADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000262223227 549799936 /nfs/dbraw/zinc/79/99/36/549799936.db2.gz XLELCYADFKQBOI-MOPGFXCFSA-N -1 1 352.434 2.463 20 0 FEADMM CCC[C@H](NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000262285782 549806534 /nfs/dbraw/zinc/80/65/34/549806534.db2.gz MFANEEZSXLVQPM-HOTGVXAUSA-N -1 1 364.442 2.210 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)[O-])n[nH]2)cc1OC ZINC000262650237 549835031 /nfs/dbraw/zinc/83/50/31/549835031.db2.gz JGEGIAWXXCTEIL-AWEZNQCLSA-N -1 1 359.382 2.173 20 0 FEADMM COc1cc(-c2noc(CN3CC[C@H](C(=O)[O-])C3)n2)ccc1OC(F)F ZINC000262683443 549838836 /nfs/dbraw/zinc/83/88/36/549838836.db2.gz WXAIIWPMNLCODI-JTQLQIEISA-N -1 1 369.324 2.253 20 0 FEADMM CC(C)N(CC(=O)[O-])Cc1cn(-c2ccccc2Br)nn1 ZINC000263486590 549904367 /nfs/dbraw/zinc/90/43/67/549904367.db2.gz HNAOWDOTFBIGOK-UHFFFAOYSA-N -1 1 353.220 2.325 20 0 FEADMM Cc1cc(C(=O)CCC(=O)Nc2nc(SCCO)n[nH]2)c(C)s1 ZINC000268766664 550114168 /nfs/dbraw/zinc/11/41/68/550114168.db2.gz XBYUXMDRKZFGKY-UHFFFAOYSA-N -1 1 354.457 2.169 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2csc([C@H]3CCCO3)n2)s1 ZINC000270279387 550258971 /nfs/dbraw/zinc/25/89/71/550258971.db2.gz XTIQVMLILYVBSM-SECBINFHSA-N -1 1 368.440 2.204 20 0 FEADMM CC(C)(C)O[C@H](C(=O)Nc1nc(SCCO)n[nH]1)c1ccccc1 ZINC000270693733 550297495 /nfs/dbraw/zinc/29/74/95/550297495.db2.gz ACJUVFHDQSBUKA-LBPRGKRZSA-N -1 1 350.444 2.384 20 0 FEADMM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cs1 ZINC000270945946 550324128 /nfs/dbraw/zinc/32/41/28/550324128.db2.gz KVOWOYYSSUBNAW-UHFFFAOYSA-N -1 1 371.387 2.360 20 0 FEADMM C[C@@H](CO)[C@H](C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271428287 550374661 /nfs/dbraw/zinc/37/46/61/550374661.db2.gz PTIGBIXTBJGKFI-IUCAKERBSA-N -1 1 364.320 2.250 20 0 FEADMM Cc1nc(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)oc1-c1ccccc1 ZINC000273498276 550500688 /nfs/dbraw/zinc/50/06/88/550500688.db2.gz LTKYZTBFIPGXOA-GFCCVEGCSA-N -1 1 354.414 2.358 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc(Cl)c1[O-] ZINC000273863897 550514082 /nfs/dbraw/zinc/51/40/82/550514082.db2.gz OMLGKEMUVZSXFV-GFCCVEGCSA-N -1 1 371.817 2.096 20 0 FEADMM Cc1c(-c2ccccc2)nc(S[C@H](C(=O)NC(N)=O)C(C)C)[n-]c1=O ZINC000273905103 550515426 /nfs/dbraw/zinc/51/54/26/550515426.db2.gz ADLAKLSRUJYEFB-ZDUSSCGKSA-N -1 1 360.439 2.469 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000274759559 550552723 /nfs/dbraw/zinc/55/27/23/550552723.db2.gz OKUDLDFRDSELOL-GFCCVEGCSA-N -1 1 370.833 2.411 20 0 FEADMM Cc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1ccc(Cl)cc1 ZINC000274770369 550553417 /nfs/dbraw/zinc/55/34/17/550553417.db2.gz LVRVPUAYEGEMGV-SNVBAGLBSA-N -1 1 359.821 2.223 20 0 FEADMM CCOC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000276858699 550603970 /nfs/dbraw/zinc/60/39/70/550603970.db2.gz JUNIMTLPWXGGPM-MRXNPFEDSA-N -1 1 358.442 2.272 20 0 FEADMM COc1ccc(NC(=O)N2CCSC[C@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000277008899 550621373 /nfs/dbraw/zinc/62/13/73/550621373.db2.gz VHXBJLRMHQFBPJ-LLVKDONJSA-N -1 1 373.500 2.284 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)[NH+](C)C)cc1 ZINC000277015589 550622083 /nfs/dbraw/zinc/62/20/83/550622083.db2.gz BWSXBWVBEUSWKR-CYBMUJFWSA-N -1 1 359.392 2.171 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(F)c3F)CC2)n1 ZINC000277672947 550699765 /nfs/dbraw/zinc/69/97/65/550699765.db2.gz JZOPPOAJAOHTEZ-UHFFFAOYSA-N -1 1 364.352 2.279 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000277732836 550707595 /nfs/dbraw/zinc/70/75/95/550707595.db2.gz JUJAPPHOUXKTRP-JTQLQIEISA-N -1 1 361.847 2.094 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1nc(Cl)ccc1[O-] ZINC000278694040 550812227 /nfs/dbraw/zinc/81/22/27/550812227.db2.gz RKRBABRKIWSUMV-GMOODISLSA-N -1 1 370.862 2.105 20 0 FEADMM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000278758450 550818895 /nfs/dbraw/zinc/81/88/95/550818895.db2.gz NWSOIVJYLPKQIC-UFBFGSQYSA-N -1 1 373.780 2.177 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@H](COCc4ccccc4)C3)ccnc1-2 ZINC000279204404 550864623 /nfs/dbraw/zinc/86/46/23/550864623.db2.gz DGMKBZOIQXIBKL-CYMZXICGSA-N -1 1 365.437 2.412 20 0 FEADMM C[C@@H](c1ccsc1)N1CCN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000279328501 550877871 /nfs/dbraw/zinc/87/78/71/550877871.db2.gz NHTRXIPPFDWTIR-JPDJOPTESA-N -1 1 370.482 2.314 20 0 FEADMM CCC[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(=O)OCC ZINC000279541642 550901276 /nfs/dbraw/zinc/90/12/76/550901276.db2.gz QSPSGCSJWYRGKB-GFCCVEGCSA-N -1 1 351.447 2.497 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)co1 ZINC000280143761 550964859 /nfs/dbraw/zinc/96/48/59/550964859.db2.gz UAPFCNRHXBBIES-CQSZACIVSA-N -1 1 362.451 2.434 20 0 FEADMM CSC1(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCC1 ZINC000280254872 550974728 /nfs/dbraw/zinc/97/47/28/550974728.db2.gz ZRYQVYXNNKNOIM-UHFFFAOYSA-N -1 1 358.467 2.497 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000280493047 551000009 /nfs/dbraw/zinc/00/00/09/551000009.db2.gz KMGTXDQCAWRIIX-MEBBXXQBSA-N -1 1 356.216 2.175 20 0 FEADMM O=S(=O)([N-]CC1(CO)CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000280494758 551000424 /nfs/dbraw/zinc/00/04/24/551000424.db2.gz BYYCYJSJOCWUFJ-UHFFFAOYSA-N -1 1 372.245 2.200 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccco2)CC1)c1c(F)ccc([O-])c1F ZINC000280747308 551027951 /nfs/dbraw/zinc/02/79/51/551027951.db2.gz KFKXSBIZVOVCSA-UHFFFAOYSA-N -1 1 350.321 2.298 20 0 FEADMM Cc1ccc(CN2CCOCC2)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000280967809 551050153 /nfs/dbraw/zinc/05/01/53/551050153.db2.gz OACVHXZSCXZQSE-UHFFFAOYSA-N -1 1 354.406 2.354 20 0 FEADMM O=C(Cc1cccc(F)c1F)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281781963 551142961 /nfs/dbraw/zinc/14/29/61/551142961.db2.gz RRQPXCSVRHONFA-UHFFFAOYSA-N -1 1 364.314 2.424 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c1 ZINC000282871437 551280162 /nfs/dbraw/zinc/28/01/62/551280162.db2.gz UQTUXLCIVZASPM-UHFFFAOYSA-N -1 1 373.365 2.176 20 0 FEADMM CCSCCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000282886852 551281993 /nfs/dbraw/zinc/28/19/93/551281993.db2.gz YXRCFLOQOBLTHV-UHFFFAOYSA-N -1 1 361.489 2.331 20 0 FEADMM O=C(N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000282983050 551293234 /nfs/dbraw/zinc/29/32/34/551293234.db2.gz TYCYZWCFUXHAAH-LLVKDONJSA-N -1 1 362.380 2.204 20 0 FEADMM CC[C@H](C)n1ncc(NC(=O)CNC(=O)c2ncccc2[O-])c1C1CC1 ZINC000497719955 561507008 /nfs/dbraw/zinc/50/70/08/561507008.db2.gz PFGUZPOXPMSTHM-NSHDSACASA-N -1 1 357.414 2.201 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000283428257 551364471 /nfs/dbraw/zinc/36/44/71/551364471.db2.gz ZYRKTRWLIWXDJJ-LBPRGKRZSA-N -1 1 362.455 2.212 20 0 FEADMM C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284428655 551547509 /nfs/dbraw/zinc/54/75/09/551547509.db2.gz YKMKCXWPMPUBAD-STQMWFEESA-N -1 1 367.409 2.118 20 0 FEADMM CN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000284935292 551671474 /nfs/dbraw/zinc/67/14/74/551671474.db2.gz YMPRBEBZQOJCNU-HXUWFJFHSA-N -1 1 353.466 2.093 20 0 FEADMM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccoc2)CC1 ZINC000285160564 551712783 /nfs/dbraw/zinc/71/27/83/551712783.db2.gz SJKNGCVQLKUTFZ-UHFFFAOYSA-N -1 1 355.847 2.486 20 0 FEADMM CC[C@@H](C)N1CC(=O)N(c2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1=O ZINC000286258298 551866616 /nfs/dbraw/zinc/86/66/16/551866616.db2.gz KXMYVFMOGRGDGG-LLVKDONJSA-N -1 1 369.443 2.024 20 0 FEADMM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000286484465 551891178 /nfs/dbraw/zinc/89/11/78/551891178.db2.gz UUQNRBHWRVFMNI-CYBMUJFWSA-N -1 1 353.243 2.238 20 0 FEADMM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000286484468 551891203 /nfs/dbraw/zinc/89/12/03/551891203.db2.gz UUQNRBHWRVFMNI-ZDUSSCGKSA-N -1 1 353.243 2.238 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc2n(n1)CCCC2 ZINC000286599888 551904470 /nfs/dbraw/zinc/90/44/70/551904470.db2.gz PAXVJMXAGKJNFK-UHFFFAOYSA-N -1 1 364.409 2.267 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1nc(C)cs1 ZINC000286803896 551927762 /nfs/dbraw/zinc/92/77/62/551927762.db2.gz HSNGEBFMCADCSE-VIFPVBQESA-N -1 1 360.486 2.296 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCOC[C@@H]1C ZINC000286841255 551932238 /nfs/dbraw/zinc/93/22/38/551932238.db2.gz LTKJOZPJDCQRAK-ZFWWWQNUSA-N -1 1 370.453 2.274 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1 ZINC000286990597 551948921 /nfs/dbraw/zinc/94/89/21/551948921.db2.gz APPRUCAVXZRHHP-XJOFDBOQSA-N -1 1 357.458 2.135 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCCc3nc(C(C)(C)C)cs3)ccnc1-2 ZINC000287044862 551955889 /nfs/dbraw/zinc/95/58/89/551955889.db2.gz DILCJHIBQNRSKV-MTJSOVHGSA-N -1 1 358.471 2.460 20 0 FEADMM CCCC(=O)Nc1ccc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287080406 551961094 /nfs/dbraw/zinc/96/10/94/551961094.db2.gz HYBYDJJRWDBFFX-JLPGSUDCSA-N -1 1 366.425 2.402 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C[C@H](C)[S@]1=O ZINC000287321726 551989228 /nfs/dbraw/zinc/98/92/28/551989228.db2.gz MEEKIQUJYXIBFK-PAKXUUGISA-N -1 1 353.488 2.160 20 0 FEADMM CCN(CC)[C@H](CNC(=O)/N=c1/ccnc2n(C)[nH]cc1-2)c1ccco1 ZINC000287564538 552019650 /nfs/dbraw/zinc/01/96/50/552019650.db2.gz KMCWEPALVTWOLM-YZLQOSHFSA-N -1 1 356.430 2.139 20 0 FEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287731655 552039643 /nfs/dbraw/zinc/03/96/43/552039643.db2.gz TVQBFKDWSNGPKH-HVZOAJPKSA-N -1 1 357.389 2.115 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)s1 ZINC000287746910 552041488 /nfs/dbraw/zinc/04/14/88/552041488.db2.gz IHOMNDMLYISTLC-LURJTMIESA-N -1 1 352.363 2.300 20 0 FEADMM C[C@H]1CCN(C(=O)Cc2ccc(O)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288326227 552133469 /nfs/dbraw/zinc/13/34/69/552133469.db2.gz VALIVCUXJYCZED-PGUXBMHVSA-N -1 1 358.360 2.239 20 0 FEADMM Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)c(O[C@@H]2CCOC2)c1 ZINC000288448902 552155315 /nfs/dbraw/zinc/15/53/15/552155315.db2.gz PNFCNRBZTLZPTJ-QGZVFWFLSA-N -1 1 355.390 2.367 20 0 FEADMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000288573913 552177340 /nfs/dbraw/zinc/17/73/40/552177340.db2.gz LALWGCWMAVCODT-UHFFFAOYSA-N -1 1 352.378 2.399 20 0 FEADMM COc1cc(NC(=O)Cn2ncc3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000499885514 561560622 /nfs/dbraw/zinc/56/06/22/561560622.db2.gz IQUBCWAHMHHZQE-UHFFFAOYSA-N -1 1 374.422 2.055 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCOc1ccc(S(C)(=O)=O)cc1 ZINC000530176548 562401454 /nfs/dbraw/zinc/40/14/54/562401454.db2.gz UJUGJOLEUBQREP-BTTYYORXSA-N -1 1 355.456 2.043 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1CCOc1ccc(S(C)(=O)=O)cc1 ZINC000530176548 562401455 /nfs/dbraw/zinc/40/14/55/562401455.db2.gz UJUGJOLEUBQREP-BTTYYORXSA-N -1 1 355.456 2.043 20 0 FEADMM O=C(CN1CCCC[C@@H]1c1nc(=O)[n-][nH]1)Nc1ccc(F)c(Cl)c1 ZINC000289337529 552303311 /nfs/dbraw/zinc/30/33/11/552303311.db2.gz LNJLJSAUXAEPDM-GFCCVEGCSA-N -1 1 353.785 2.056 20 0 FEADMM Cc1nc(CN2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)oc1C ZINC000289389182 552313062 /nfs/dbraw/zinc/31/30/62/552313062.db2.gz NIMYNPXSQQTVMJ-UHFFFAOYSA-N -1 1 351.353 2.233 20 0 FEADMM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000289395672 552314478 /nfs/dbraw/zinc/31/44/78/552314478.db2.gz KPEDVMKOAKOMKH-SECBINFHSA-N -1 1 370.240 2.223 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)OC ZINC000500375821 561571078 /nfs/dbraw/zinc/57/10/78/561571078.db2.gz CJFROZHFVPPJEI-GFCCVEGCSA-N -1 1 368.224 2.208 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000289805132 552381273 /nfs/dbraw/zinc/38/12/73/552381273.db2.gz JSMGTRPMWVPXSR-ZDUSSCGKSA-N -1 1 373.452 2.166 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2COc2ccccc2)n1 ZINC000500572629 561577206 /nfs/dbraw/zinc/57/72/06/561577206.db2.gz VLZHBOUQLMNYHR-UHFFFAOYSA-N -1 1 372.406 2.040 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2COc2ccccc2)[n-]1 ZINC000500572629 561577207 /nfs/dbraw/zinc/57/72/07/561577207.db2.gz VLZHBOUQLMNYHR-UHFFFAOYSA-N -1 1 372.406 2.040 20 0 FEADMM O=S(=O)(Cc1cc2c(cc1Cl)OCCO2)c1n[n-]c(C2CC2)n1 ZINC000289844798 552387882 /nfs/dbraw/zinc/38/78/82/552387882.db2.gz DZNBTIKPRIQHSS-UHFFFAOYSA-N -1 1 355.803 2.081 20 0 FEADMM COc1ccccc1CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290311160 552458052 /nfs/dbraw/zinc/45/80/52/552458052.db2.gz HGRSAFUAVROEKU-GFCCVEGCSA-N -1 1 358.360 2.155 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000290449948 552480707 /nfs/dbraw/zinc/48/07/07/552480707.db2.gz DCFWKGAUAWAJHZ-UHFFFAOYSA-N -1 1 351.428 2.102 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ncc(C(C)(C)O)s2)c(=O)[n-]1 ZINC000290451944 552481107 /nfs/dbraw/zinc/48/11/07/552481107.db2.gz DPASHJCSBQIKLT-UHFFFAOYSA-N -1 1 368.484 2.468 20 0 FEADMM Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290463997 552483167 /nfs/dbraw/zinc/48/31/67/552483167.db2.gz VOPUVZNTUVNSIX-VIFPVBQESA-N -1 1 351.756 2.209 20 0 FEADMM COc1cc(NC(=O)c2cnn3ccc(C)cc23)ccc1[N-]S(C)(=O)=O ZINC000500973183 561586899 /nfs/dbraw/zinc/58/68/99/561586899.db2.gz XEEXJROOBSWLAU-UHFFFAOYSA-N -1 1 374.422 2.275 20 0 FEADMM CCCNC(=O)c1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nc1 ZINC000290734466 552528061 /nfs/dbraw/zinc/52/80/61/552528061.db2.gz QWANPVMEHFTYOG-LBPRGKRZSA-N -1 1 372.391 2.116 20 0 FEADMM O=C(C(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc([O-])cc1 ZINC000290762412 552533972 /nfs/dbraw/zinc/53/39/72/552533972.db2.gz VJXDHFMRELDIHG-HXUWFJFHSA-N -1 1 357.381 2.168 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1 ZINC000291002404 552574716 /nfs/dbraw/zinc/57/47/16/552574716.db2.gz BAHLUIXAZHMDFZ-UHFFFAOYSA-N -1 1 357.288 2.341 20 0 FEADMM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000501186032 561592105 /nfs/dbraw/zinc/59/21/05/561592105.db2.gz KJVBESVJVUFGAG-LLVKDONJSA-N -1 1 363.332 2.125 20 0 FEADMM Cc1ccc(CNC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cn1 ZINC000291592931 552640852 /nfs/dbraw/zinc/64/08/52/552640852.db2.gz HTJPAIFRRRZAGQ-DGCLKSJQSA-N -1 1 358.364 2.131 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000291864585 552669607 /nfs/dbraw/zinc/66/96/07/552669607.db2.gz GWWNBLJIWWFMAJ-MRXNPFEDSA-N -1 1 365.480 2.492 20 0 FEADMM O=C(c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c[nH]1)N1CCCC1 ZINC000292266747 552710603 /nfs/dbraw/zinc/71/06/03/552710603.db2.gz GLAONRGACFQTIP-UHFFFAOYSA-N -1 1 373.356 2.469 20 0 FEADMM COC(=O)c1cc([C@H](C)S(=O)(=O)c2nnc(C(C)(C)C)[n-]2)oc1C ZINC000292381361 552721684 /nfs/dbraw/zinc/72/16/84/552721684.db2.gz ULRXVKJUZGICIS-VIFPVBQESA-N -1 1 355.416 2.325 20 0 FEADMM COC(=O)c1cc([C@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)oc1C ZINC000292381361 552721686 /nfs/dbraw/zinc/72/16/86/552721686.db2.gz ULRXVKJUZGICIS-VIFPVBQESA-N -1 1 355.416 2.325 20 0 FEADMM COC(=O)c1cc([C@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)oc1C ZINC000292381361 552721687 /nfs/dbraw/zinc/72/16/87/552721687.db2.gz ULRXVKJUZGICIS-VIFPVBQESA-N -1 1 355.416 2.325 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000292669598 552748088 /nfs/dbraw/zinc/74/80/88/552748088.db2.gz ZIOKTCVUJQKAPX-BXUZGUMPSA-N -1 1 370.371 2.222 20 0 FEADMM CC(C)c1nn(C)cc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000293017722 552780785 /nfs/dbraw/zinc/78/07/85/552780785.db2.gz MPBAXKQGVUXHCE-UHFFFAOYSA-N -1 1 367.456 2.134 20 0 FEADMM O=C(CN1CCC(CO)(c2ccccc2)CC1)[N-]OCc1ccccc1 ZINC000293262139 552804991 /nfs/dbraw/zinc/80/49/91/552804991.db2.gz IUUGWRDBRYCPFO-UHFFFAOYSA-N -1 1 354.450 2.261 20 0 FEADMM COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000293556461 552835162 /nfs/dbraw/zinc/83/51/62/552835162.db2.gz CTDLTLVZUVORIK-CJNGLKHVSA-N -1 1 367.829 2.476 20 0 FEADMM C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(C)(F)F ZINC000293624912 552841611 /nfs/dbraw/zinc/84/16/11/552841611.db2.gz ZICFNJLBYJOZCZ-SNVBAGLBSA-N -1 1 362.398 2.407 20 0 FEADMM COCC1(CNC(=O)c2ccc(Br)cc2[O-])CCOCC1 ZINC000293782019 552855886 /nfs/dbraw/zinc/85/58/86/552855886.db2.gz ZLCQJUQZUPWNLZ-UHFFFAOYSA-N -1 1 358.232 2.328 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000293916905 552867783 /nfs/dbraw/zinc/86/77/83/552867783.db2.gz OXONRFFQBSFKHG-MRXNPFEDSA-N -1 1 372.469 2.259 20 0 FEADMM Cc1ccncc1/C=C/C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000294006420 552874642 /nfs/dbraw/zinc/87/46/42/552874642.db2.gz XVAQNFIRSGCENR-HGIUVPSYSA-N -1 1 355.360 2.461 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000294019711 552875778 /nfs/dbraw/zinc/87/57/78/552875778.db2.gz YWQIEHNSOIMULM-DDTOSNHZSA-N -1 1 368.355 2.415 20 0 FEADMM Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc2n[nH]cc21 ZINC000501747636 561604511 /nfs/dbraw/zinc/60/45/11/561604511.db2.gz FRNUJYXQBVQPEL-UHFFFAOYSA-N -1 1 350.338 2.181 20 0 FEADMM CC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000294317692 552896501 /nfs/dbraw/zinc/89/65/01/552896501.db2.gz SFBIXLUVCWHXAK-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000501848451 561606475 /nfs/dbraw/zinc/60/64/75/561606475.db2.gz SGRWLPUWISVFLD-CHWSQXEVSA-N -1 1 372.491 2.302 20 0 FEADMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000501848451 561606476 /nfs/dbraw/zinc/60/64/76/561606476.db2.gz SGRWLPUWISVFLD-CHWSQXEVSA-N -1 1 372.491 2.302 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc([C@H]4CCOC4)cc3)ccc2N1 ZINC000295193567 552968399 /nfs/dbraw/zinc/96/83/99/552968399.db2.gz LOPWLRSNAIHHFJ-ZDUSSCGKSA-N -1 1 358.419 2.486 20 0 FEADMM Cc1cccnc1CCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295630855 553036680 /nfs/dbraw/zinc/03/66/80/553036680.db2.gz BURSDEJPFOSVQI-UHFFFAOYSA-N -1 1 362.377 2.053 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H](O)C(F)F ZINC000295815829 553063008 /nfs/dbraw/zinc/06/30/08/553063008.db2.gz ULJBKPKGNNTFFL-XRGYYRRGSA-N -1 1 364.233 2.194 20 0 FEADMM O=C(CCc1ccc2ccccc2c1O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299150838 553522065 /nfs/dbraw/zinc/52/20/65/553522065.db2.gz YQORHSCKAXWOGN-HNNXBMFYSA-N -1 1 366.421 2.296 20 0 FEADMM CCN(C[C@H]1CCCO1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299331819 553548942 /nfs/dbraw/zinc/54/89/42/553548942.db2.gz YQIMUXSOOLRWQX-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC(CO)CC1 ZINC000299532286 553576940 /nfs/dbraw/zinc/57/69/40/553576940.db2.gz OEQCRTCVCPDRJC-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM O=c1nc(CCCNc2nc(-c3cc(Cl)cc(Cl)c3)no2)[nH][n-]1 ZINC000301525827 553658488 /nfs/dbraw/zinc/65/84/88/553658488.db2.gz HPYOLBRFTZQKFA-UHFFFAOYSA-N -1 1 355.185 2.500 20 0 FEADMM C[C@H]1COCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000310633075 553753573 /nfs/dbraw/zinc/75/35/73/553753573.db2.gz MKTUIUYXCQJJIE-GZMMTYOYSA-N -1 1 361.179 2.152 20 0 FEADMM COc1cc(NC(=O)c2cnc3ccccc3n2)ccc1[N-]S(C)(=O)=O ZINC000505639769 561676171 /nfs/dbraw/zinc/67/61/71/561676171.db2.gz XFZDQMNFSKYXLN-UHFFFAOYSA-N -1 1 372.406 2.262 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1ccnn1 ZINC000324677394 553773466 /nfs/dbraw/zinc/77/34/66/553773466.db2.gz PYNNPGCMILZORS-UHFFFAOYSA-N -1 1 364.408 2.136 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000326879889 553783978 /nfs/dbraw/zinc/78/39/78/553783978.db2.gz BTFMLLVGKZJNMZ-UHFFFAOYSA-N -1 1 363.391 2.242 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1NC(C)=O ZINC000327333486 553788173 /nfs/dbraw/zinc/78/81/73/553788173.db2.gz DQBYNDKLKFBQSE-UHFFFAOYSA-N -1 1 368.367 2.054 20 0 FEADMM COc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1OC ZINC000328190920 553793553 /nfs/dbraw/zinc/79/35/53/553793553.db2.gz ZFMNCHUZCIUTSU-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000506554918 561701959 /nfs/dbraw/zinc/70/19/59/561701959.db2.gz LPUKYOJRELIQDJ-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329391601 553937617 /nfs/dbraw/zinc/93/76/17/553937617.db2.gz RVGASUGKRVBOSM-OCCSQVGLSA-N -1 1 356.216 2.175 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]3COCC[C@@H]32)c(=O)[n-]1 ZINC000329775863 554003615 /nfs/dbraw/zinc/00/36/15/554003615.db2.gz NLMDDJOGFGZGCR-JSGCOSHPSA-N -1 1 351.472 2.173 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000507600071 561734741 /nfs/dbraw/zinc/73/47/41/561734741.db2.gz BYXGBALJYACMOE-UHFFFAOYSA-N -1 1 374.871 2.351 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)ccc1F ZINC000507639945 561736192 /nfs/dbraw/zinc/73/61/92/561736192.db2.gz YJZGSFMHCZNRSH-UHFFFAOYSA-N -1 1 363.414 2.379 20 0 FEADMM O=C(c1csc(=NC2CC2)[nH]1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000330225980 554088416 /nfs/dbraw/zinc/08/84/16/554088416.db2.gz OMVKBIYAKIYTAD-OAHLLOKOSA-N -1 1 365.499 2.908 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000330225980 554088421 /nfs/dbraw/zinc/08/84/21/554088421.db2.gz OMVKBIYAKIYTAD-OAHLLOKOSA-N -1 1 365.499 2.908 20 0 FEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000507888053 561744538 /nfs/dbraw/zinc/74/45/38/561744538.db2.gz MASOYYBZGODFRC-UHFFFAOYSA-N -1 1 350.418 2.060 20 0 FEADMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccc(C(F)(F)F)nc1 ZINC000330595966 554143465 /nfs/dbraw/zinc/14/34/65/554143465.db2.gz RIHUVZJZGYCVRF-VIFPVBQESA-N -1 1 364.267 2.100 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508067021 561750213 /nfs/dbraw/zinc/75/02/13/561750213.db2.gz HBJSMNSFGXCFKI-UHFFFAOYSA-N -1 1 365.640 2.340 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000330583521 554141408 /nfs/dbraw/zinc/14/14/08/554141408.db2.gz KMJKMNADPRNSPX-ZDUSSCGKSA-N -1 1 369.409 2.156 20 0 FEADMM CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000330613352 554145688 /nfs/dbraw/zinc/14/56/88/554145688.db2.gz REJTVIHGQDTTGU-LBPRGKRZSA-N -1 1 364.464 2.150 20 0 FEADMM CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)CC1 ZINC000330690071 554157992 /nfs/dbraw/zinc/15/79/92/554157992.db2.gz YFOGREICGOZYJX-GFCCVEGCSA-N -1 1 367.471 2.081 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(Br)o1 ZINC000330830958 554176639 /nfs/dbraw/zinc/17/66/39/554176639.db2.gz UMASGHVTAYLDHM-SNVBAGLBSA-N -1 1 352.250 2.262 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C)n1 ZINC000330782619 554170459 /nfs/dbraw/zinc/17/04/59/554170459.db2.gz PSTYSCXAQQESFX-QMMMGPOBSA-N -1 1 360.233 2.488 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)c(=O)[n-]1 ZINC000331198516 554229647 /nfs/dbraw/zinc/22/96/47/554229647.db2.gz XSLZBADHGMDPHO-BXKDBHETSA-N -1 1 352.460 2.307 20 0 FEADMM COc1cc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc(Cl)c1[O-] ZINC000331408707 554259993 /nfs/dbraw/zinc/25/99/93/554259993.db2.gz QUZAUDRRRYWHAV-LBPRGKRZSA-N -1 1 370.858 2.192 20 0 FEADMM Cc1nc2ccccc2n1CCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509279847 561793389 /nfs/dbraw/zinc/79/33/89/561793389.db2.gz SATDFWSHKQGKHO-UHFFFAOYSA-N -1 1 355.398 2.230 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](O)C2)cc1 ZINC000509340296 561795777 /nfs/dbraw/zinc/79/57/77/561795777.db2.gz BMRXUPJPMRCCCL-RDTXWAMCSA-N -1 1 374.462 2.249 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCC[C@@H](C(=O)NC(C)C)C3)cnc2n1 ZINC000332636781 554488367 /nfs/dbraw/zinc/48/83/67/554488367.db2.gz UZVQQYCRXKFYOW-ZIAGYGMSSA-N -1 1 370.453 2.457 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1)c2=O ZINC000332636781 554488369 /nfs/dbraw/zinc/48/83/69/554488369.db2.gz UZVQQYCRXKFYOW-ZIAGYGMSSA-N -1 1 370.453 2.457 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCC[C@H](C(=O)NC(C)C)C3)cnc2n1 ZINC000332636771 554488376 /nfs/dbraw/zinc/48/83/76/554488376.db2.gz UZVQQYCRXKFYOW-KBPBESRZSA-N -1 1 370.453 2.457 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1)c2=O ZINC000332636771 554488378 /nfs/dbraw/zinc/48/83/78/554488378.db2.gz UZVQQYCRXKFYOW-KBPBESRZSA-N -1 1 370.453 2.457 20 0 FEADMM COc1ccc(-c2n[n-]c(=NC(=O)N3CCN(C)[C@H](C)[C@@H]3C)s2)cc1 ZINC000332661692 554492916 /nfs/dbraw/zinc/49/29/16/554492916.db2.gz ODMRVCUTQAIFTF-NEPJUHHUSA-N -1 1 361.471 2.770 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc([C@@H]4CCCOC4)n[nH]3)cn21 ZINC000333167067 554582818 /nfs/dbraw/zinc/58/28/18/554582818.db2.gz MYESHUJDRVWLPM-NWDGAFQWSA-N -1 1 365.459 2.198 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)n[n-]1)c1ccccc1 ZINC000333373991 554607459 /nfs/dbraw/zinc/60/74/59/554607459.db2.gz ALIPGVBRVAVKOK-YWZLYKJASA-N -1 1 351.454 2.756 20 0 FEADMM CN1C(=O)NCC12CCN(C(=O)c1c([O-])cnc3ccc(Cl)cc31)CC2 ZINC000333408943 554610380 /nfs/dbraw/zinc/61/03/80/554610380.db2.gz GVNNLTVTBYGDSU-UHFFFAOYSA-N -1 1 374.828 2.224 20 0 FEADMM O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1csc(=NC2CC2)[n-]1 ZINC000333576529 554624919 /nfs/dbraw/zinc/62/49/19/554624919.db2.gz UZQAUPRWSUSKKA-CQSZACIVSA-N -1 1 362.499 2.771 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000511046003 561854696 /nfs/dbraw/zinc/85/46/96/561854696.db2.gz QDCLFIFUDDFZKI-JTQLQIEISA-N -1 1 363.395 2.372 20 0 FEADMM C[C@@H]1SCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@@H]1c1ccccc1 ZINC000511074012 561855945 /nfs/dbraw/zinc/85/59/45/561855945.db2.gz REPXAJPWVDBTQH-UGSOOPFHSA-N -1 1 371.462 2.222 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1C ZINC000511116896 561857707 /nfs/dbraw/zinc/85/77/07/561857707.db2.gz UAOYEPRRCISZGC-UHFFFAOYSA-N -1 1 359.407 2.249 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](C1CCCCC1)C(F)(F)F ZINC000511122144 561857973 /nfs/dbraw/zinc/85/79/73/561857973.db2.gz MSJXJHURFMMJQC-AWEZNQCLSA-N -1 1 359.348 2.144 20 0 FEADMM CC(C)[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(N)=O ZINC000511249693 561862861 /nfs/dbraw/zinc/86/28/61/561862861.db2.gz IKNFBVSPPYEPHW-GFCCVEGCSA-N -1 1 357.234 2.311 20 0 FEADMM COc1cc(-c2noc([C@@H]3CCNC(=O)C3)n2)cc(Br)c1[O-] ZINC000350776811 554812489 /nfs/dbraw/zinc/81/24/89/554812489.db2.gz HUKNENZMULLWFP-SSDOTTSWSA-N -1 1 368.187 2.207 20 0 FEADMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1OCC(N)=O ZINC000350826809 554816416 /nfs/dbraw/zinc/81/64/16/554816416.db2.gz XNRBFHNYXQKVOI-UHFFFAOYSA-N -1 1 359.313 2.121 20 0 FEADMM COC1(c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CCCCC1 ZINC000351139098 554839351 /nfs/dbraw/zinc/83/93/51/554839351.db2.gz HCYLBDRLQALTNR-UHFFFAOYSA-N -1 1 357.457 2.415 20 0 FEADMM Cc1noc(C)c1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000351171965 554840780 /nfs/dbraw/zinc/84/07/80/554840780.db2.gz OABFGEDSUNPVOK-MRVPVSSYSA-N -1 1 354.413 2.442 20 0 FEADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000361685594 554929557 /nfs/dbraw/zinc/92/95/57/554929557.db2.gz NTMXQBNCMCVXIE-CYBMUJFWSA-N -1 1 360.454 2.364 20 0 FEADMM O=C(CCCOc1ccc(F)cc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362131468 554951649 /nfs/dbraw/zinc/95/16/49/554951649.db2.gz PBGJVYDVJKOABA-LLVKDONJSA-N -1 1 351.357 2.043 20 0 FEADMM CCN1CCN(C2CCN(C(=O)c3c([O-])cnc4ccccc43)CC2)C1=O ZINC000362234119 554957092 /nfs/dbraw/zinc/95/70/92/554957092.db2.gz DIIWCIFHQOOIDA-UHFFFAOYSA-N -1 1 368.437 2.303 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(Cc3ccccc3Cl)C2)co1 ZINC000363165574 555043782 /nfs/dbraw/zinc/04/37/82/555043782.db2.gz GPEFTNJCQSXTFX-UHFFFAOYSA-N -1 1 368.842 2.156 20 0 FEADMM Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000363203886 555052937 /nfs/dbraw/zinc/05/29/37/555052937.db2.gz SLVFXOVTYJFPNZ-UHFFFAOYSA-N -1 1 368.418 2.476 20 0 FEADMM CNC(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000363280448 555070306 /nfs/dbraw/zinc/07/03/06/555070306.db2.gz NHHLUADYGHZCJI-UHFFFAOYSA-N -1 1 366.417 2.487 20 0 FEADMM O=C(c1cccc(OCc2cccs2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363396500 555094414 /nfs/dbraw/zinc/09/44/14/555094414.db2.gz SXLIAOJHWWZIGM-OAHLLOKOSA-N -1 1 371.422 2.054 20 0 FEADMM Cc1c(C(=O)Nc2ccncc2[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000511999755 561888507 /nfs/dbraw/zinc/88/85/07/561888507.db2.gz BMVUZJOBHJMIJZ-UHFFFAOYSA-N -1 1 353.382 2.138 20 0 FEADMM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512016575 561888995 /nfs/dbraw/zinc/88/89/95/561888995.db2.gz HJAIUDSUKLSKKK-CJNGLKHVSA-N -1 1 352.394 2.359 20 0 FEADMM C[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000512142039 561893915 /nfs/dbraw/zinc/89/39/15/561893915.db2.gz GJZYMHZADQFEHA-LLVKDONJSA-N -1 1 364.464 2.150 20 0 FEADMM CCC(=O)N1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000363991038 555228733 /nfs/dbraw/zinc/22/87/33/555228733.db2.gz QSSFUIXADDPTOC-UHFFFAOYSA-N -1 1 355.232 2.239 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(Nc2cccnc2)CC1 ZINC000363992656 555229390 /nfs/dbraw/zinc/22/93/90/555229390.db2.gz MJWRJDSTZOKWBY-UHFFFAOYSA-N -1 1 359.455 2.324 20 0 FEADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000512757309 561914462 /nfs/dbraw/zinc/91/44/62/561914462.db2.gz IEDFRLFWRZSVCO-UHFFFAOYSA-N -1 1 366.786 2.199 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCSCC[C@H]1C ZINC000365142257 555493788 /nfs/dbraw/zinc/49/37/88/555493788.db2.gz GTGIYZKUFPFICO-GFCCVEGCSA-N -1 1 358.467 2.449 20 0 FEADMM Cc1sccc1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000513041769 561923206 /nfs/dbraw/zinc/92/32/06/561923206.db2.gz RXWAMXHFCMICPI-UHFFFAOYSA-N -1 1 371.450 2.007 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3ccnn3C(C)C)CC2)c1=N ZINC000365440232 555576568 /nfs/dbraw/zinc/57/65/68/555576568.db2.gz UPNNXLOULIEEGX-UHFFFAOYSA-N -1 1 360.462 2.087 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC[C@@H]3CC[C@H](C)O3)CC2)n1 ZINC000365629879 555626715 /nfs/dbraw/zinc/62/67/15/555626715.db2.gz SXXCBFARZDRCQB-JSGCOSHPSA-N -1 1 364.446 2.035 20 0 FEADMM O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000365674254 555637581 /nfs/dbraw/zinc/63/75/81/555637581.db2.gz SUESXIKLOQUANK-IAQYHMDHSA-N -1 1 356.825 2.415 20 0 FEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)cc1 ZINC000365800612 555670385 /nfs/dbraw/zinc/67/03/85/555670385.db2.gz YVIWUBOTQIQMQI-UHFFFAOYSA-N -1 1 372.406 2.200 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)c1Cl ZINC000366165954 555770323 /nfs/dbraw/zinc/77/03/23/555770323.db2.gz ZOKZLEAMCUCUJB-ZDUSSCGKSA-N -1 1 368.890 2.268 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1Cc2ccccc2CO1 ZINC000366319214 555811110 /nfs/dbraw/zinc/81/11/10/555811110.db2.gz WTUPVNXVOZZEAY-UHFFFAOYSA-N -1 1 362.389 2.157 20 0 FEADMM COc1cc(C(=O)NCCc2nnnn2-c2ccccc2)cc(Cl)c1[O-] ZINC000513861716 561952744 /nfs/dbraw/zinc/95/27/44/561952744.db2.gz MUIMYALCXJNNDJ-UHFFFAOYSA-N -1 1 373.800 2.002 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2F)n1 ZINC000366645677 555898254 /nfs/dbraw/zinc/89/82/54/555898254.db2.gz TZFWVBIVHJEWQG-CQSZACIVSA-N -1 1 369.404 2.161 20 0 FEADMM CC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H]1CCCO1 ZINC000366804914 555938291 /nfs/dbraw/zinc/93/82/91/555938291.db2.gz PNKNLXRJRWEFMB-HZPDHXFCSA-N -1 1 356.426 2.169 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1CCC(=O)C1 ZINC000514605480 561969430 /nfs/dbraw/zinc/96/94/30/561969430.db2.gz MQWZXHRYQGZIIS-AWEZNQCLSA-N -1 1 372.446 2.473 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000367666365 556108902 /nfs/dbraw/zinc/10/89/02/556108902.db2.gz MUTOYWZSDRYISQ-IBGZPJMESA-N -1 1 358.442 2.013 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(OCc2ccccc2C)CC1 ZINC000367697158 556117435 /nfs/dbraw/zinc/11/74/35/556117435.db2.gz BVMWIVBWQNDCCY-UHFFFAOYSA-N -1 1 365.455 2.244 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCCSC1 ZINC000368044636 556202522 /nfs/dbraw/zinc/20/25/22/556202522.db2.gz LMARLHHAEJSGBM-CYBMUJFWSA-N -1 1 358.467 2.355 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc(Cl)c1[O-] ZINC000368139439 556228004 /nfs/dbraw/zinc/22/80/04/556228004.db2.gz QZMNIJUJAUTUNO-LBPRGKRZSA-N -1 1 367.833 2.074 20 0 FEADMM O=C(N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1[O-] ZINC000368465720 556318221 /nfs/dbraw/zinc/31/82/21/556318221.db2.gz IMYDUKYNGGUUKQ-HNNXBMFYSA-N -1 1 366.396 2.458 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1C[C@H](O)C2(CC2)C1 ZINC000368785697 556412482 /nfs/dbraw/zinc/41/24/82/556412482.db2.gz CMMCXEJEBVCQQG-KRWDZBQOSA-N -1 1 372.446 2.084 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H](SCC)C(C)C)CC2)n1 ZINC000369363058 556580560 /nfs/dbraw/zinc/58/05/60/556580560.db2.gz OIQADCPVTXUESG-ZDUSSCGKSA-N -1 1 368.503 2.465 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1CCN(CC(F)F)CC1 ZINC000516215108 562036323 /nfs/dbraw/zinc/03/63/23/562036323.db2.gz GUQFUIYMZIARND-UHFFFAOYSA-N -1 1 370.444 2.495 20 0 FEADMM CN1CCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)C1=O ZINC000369669558 556664444 /nfs/dbraw/zinc/66/44/44/556664444.db2.gz BMRWBWUUEJPMSV-UHFFFAOYSA-N -1 1 356.344 2.496 20 0 FEADMM Cc1cnc(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)[n-]c1=O ZINC000516584945 562049552 /nfs/dbraw/zinc/04/95/52/562049552.db2.gz GLJSLXRLCDIIAI-CQSZACIVSA-N -1 1 363.414 2.322 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3cccc(F)c3)CC2)o1 ZINC000370243505 556820469 /nfs/dbraw/zinc/82/04/69/556820469.db2.gz NNVFMJZQSCSOHT-UHFFFAOYSA-N -1 1 364.398 2.256 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccn2)C2CCCC2)co1 ZINC000371056598 557060582 /nfs/dbraw/zinc/06/05/82/557060582.db2.gz WTUNGCYTDOPSCY-INIZCTEOSA-N -1 1 363.439 2.244 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(Cc2ccccc2F)C1 ZINC000371177284 557097948 /nfs/dbraw/zinc/09/79/48/557097948.db2.gz RYNDYOCXQCRIBH-UHFFFAOYSA-N -1 1 368.412 2.434 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2ncon2)c1)c1ccc2c(c1)OCCO2 ZINC000371509824 557204978 /nfs/dbraw/zinc/20/49/78/557204978.db2.gz HQMAXBHNDFLREX-UHFFFAOYSA-N -1 1 359.363 2.309 20 0 FEADMM Cn1cc([C@H](NCC(=O)[N-]OCc2ccccc2)c2ccccc2)cn1 ZINC000371755077 557283978 /nfs/dbraw/zinc/28/39/78/557283978.db2.gz XAEXGYIGRRGQCQ-HXUWFJFHSA-N -1 1 350.422 2.347 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccc(F)cn2)no1 ZINC000372042693 557364913 /nfs/dbraw/zinc/36/49/13/557364913.db2.gz LUDKHEUWGHKJCF-UHFFFAOYSA-N -1 1 364.340 2.315 20 0 FEADMM C/C=C\c1ccc(OCC(=O)NC2(c3nn[n-]n3)CCCC2)c(OC)c1 ZINC000518831598 562119496 /nfs/dbraw/zinc/11/94/96/562119496.db2.gz VYOFHAVATKVBMC-UTCJRWHESA-N -1 1 357.414 2.206 20 0 FEADMM Cn1cc(-c2ccccc2CNC(=O)c2nc3ccccc3c(=O)[n-]2)cn1 ZINC000372290841 557431459 /nfs/dbraw/zinc/43/14/59/557431459.db2.gz CWMRPQLEZGVEMM-UHFFFAOYSA-N -1 1 359.389 2.254 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000372490240 557484260 /nfs/dbraw/zinc/48/42/60/557484260.db2.gz JXBADYIHKMPTDU-QGZVFWFLSA-N -1 1 368.437 2.123 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(OC)nc2)c1C ZINC000519676159 562139444 /nfs/dbraw/zinc/13/94/44/562139444.db2.gz KFECCMWEWCYRFJ-UHFFFAOYSA-N -1 1 354.359 2.125 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F)C1CC1 ZINC000519822582 562145505 /nfs/dbraw/zinc/14/55/05/562145505.db2.gz DEQBVVUCCVLXMV-NSHDSACASA-N -1 1 351.346 2.473 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC[C@@H]3CCCCO3)CC2)n1 ZINC000373118099 557632333 /nfs/dbraw/zinc/63/23/33/557632333.db2.gz NIZHNJSNAIOWKR-AWEZNQCLSA-N -1 1 364.446 2.037 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000520142006 562149658 /nfs/dbraw/zinc/14/96/58/562149658.db2.gz XZHMEDKQCCWZTI-UHFFFAOYSA-N -1 1 374.871 2.238 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1ccnn1 ZINC000520017979 562148562 /nfs/dbraw/zinc/14/85/62/562148562.db2.gz PLIQHIMUYYXIBF-UHFFFAOYSA-N -1 1 372.406 2.329 20 0 FEADMM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000373344000 557676328 /nfs/dbraw/zinc/67/63/28/557676328.db2.gz GRUSETRTNIMXJR-LLVKDONJSA-N -1 1 357.443 2.865 20 0 FEADMM O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000520399495 562155585 /nfs/dbraw/zinc/15/55/85/562155585.db2.gz JUXFVKIELYLCFY-LBPRGKRZSA-N -1 1 371.372 2.049 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)CC(C)C)o1 ZINC000521142390 562170350 /nfs/dbraw/zinc/17/03/50/562170350.db2.gz LGULIKUKKFQGPX-UHFFFAOYSA-N -1 1 350.440 2.486 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)CCc3nc(-c4ccc(F)cc4)no3)ccnc1-2 ZINC000374717683 557920685 /nfs/dbraw/zinc/92/06/85/557920685.db2.gz KMFPHPVAYJBWCO-HMAPJEAMSA-N -1 1 366.356 2.102 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)cc(Cl)c1[O-] ZINC000374867493 557943279 /nfs/dbraw/zinc/94/32/79/557943279.db2.gz CXKKDYNIQXNRND-CHWSQXEVSA-N -1 1 352.818 2.328 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000374961762 557956912 /nfs/dbraw/zinc/95/69/12/557956912.db2.gz IYVHMMOMAHWSJY-CYBMUJFWSA-N -1 1 372.400 2.072 20 0 FEADMM COc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000374994474 557961077 /nfs/dbraw/zinc/96/10/77/557961077.db2.gz LGHNXHZVFSHITE-UHFFFAOYSA-N -1 1 355.325 2.135 20 0 FEADMM C/C=C/c1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000521497432 562177738 /nfs/dbraw/zinc/17/77/38/562177738.db2.gz HBXHRDBLILOZLS-DUXPYHPUSA-N -1 1 352.437 2.168 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375578145 558051508 /nfs/dbraw/zinc/05/15/08/558051508.db2.gz NZGLIQVJWGKRJD-BBRMVZONSA-N -1 1 366.483 2.223 20 0 FEADMM O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)c1ccc(Cl)cc1[O-] ZINC000375690107 558068176 /nfs/dbraw/zinc/06/81/76/558068176.db2.gz GJRVZXKQICNBIY-RYUDHWBXSA-N -1 1 350.781 2.182 20 0 FEADMM CO[C@H](C)c1nc(=NC[C@@H]2CN(Cc3ccccc3)CCCO2)s[n-]1 ZINC000375963906 558106242 /nfs/dbraw/zinc/10/62/42/558106242.db2.gz VDFRCUOXFZMMPF-GDBMZVCRSA-N -1 1 362.499 2.370 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@@]4(CCCOC4)C3)nc2)[n-]c(=O)c1C ZINC000376200258 558140244 /nfs/dbraw/zinc/14/02/44/558140244.db2.gz OZMKHRBVACIOHM-IBGZPJMESA-N -1 1 356.426 2.247 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)CCCCF)c1noc(C)n1 ZINC000376279179 558151563 /nfs/dbraw/zinc/15/15/63/558151563.db2.gz QDMUACZBBNVUTI-AWEZNQCLSA-N -1 1 357.407 2.145 20 0 FEADMM NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Br)cc1[O-] ZINC000376821888 558225934 /nfs/dbraw/zinc/22/59/34/558225934.db2.gz GLMBSRGOVDLQQN-WQAKAFBOSA-N -1 1 367.243 2.413 20 0 FEADMM COC(=O)c1c(C)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000521851794 562184927 /nfs/dbraw/zinc/18/49/27/562184927.db2.gz LQVHVIPEQCYQPY-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM C[C@H](CNC(=O)c1cc(F)cc2n[nH]nc21)[N@@H+]1CCc2sccc2C1 ZINC000521905549 562186120 /nfs/dbraw/zinc/18/61/20/562186120.db2.gz VXXFSSYZLSXJIX-SNVBAGLBSA-N -1 1 359.430 2.335 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000377103099 558266815 /nfs/dbraw/zinc/26/68/15/558266815.db2.gz ZHUWKELRBPDOSL-TZMCWYRMSA-N -1 1 370.380 2.180 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)o1 ZINC000522209916 562194282 /nfs/dbraw/zinc/19/42/82/562194282.db2.gz GGJVCBJTUYCBDK-UHFFFAOYSA-N -1 1 366.414 2.179 20 0 FEADMM Cc1ccc(N2CC[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)C2=O)cc1C ZINC000377520178 558356169 /nfs/dbraw/zinc/35/61/69/558356169.db2.gz SCAPLXSHSBQELS-LLVKDONJSA-N -1 1 367.331 2.432 20 0 FEADMM O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377597813 558374252 /nfs/dbraw/zinc/37/42/52/558374252.db2.gz DLDMGYWPPMCHNU-CYBMUJFWSA-N -1 1 370.240 2.429 20 0 FEADMM O=C1C[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc2N1 ZINC000377982579 558457444 /nfs/dbraw/zinc/45/74/44/558457444.db2.gz DPFYUOXUBCXLFG-JTQLQIEISA-N -1 1 352.362 2.369 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3O[C@H]2C)o1 ZINC000378165381 558494633 /nfs/dbraw/zinc/49/46/33/558494633.db2.gz YVPIJXWLNWUCQA-ISVAXAHUSA-N -1 1 355.343 2.006 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1ccc(Cl)cn1 ZINC000378445105 558559151 /nfs/dbraw/zinc/55/91/51/558559151.db2.gz ZZOWKMBFYGSQAC-UHFFFAOYSA-N -1 1 369.812 2.460 20 0 FEADMM Cc1ccc([C@H]2C[C@H]2C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000378515467 558573633 /nfs/dbraw/zinc/57/36/33/558573633.db2.gz DCFLHCIIMFFSCA-WDEREUQCSA-N -1 1 352.437 2.152 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2CC(c3cccc(F)c3)C2)c1 ZINC000378524055 558575062 /nfs/dbraw/zinc/57/50/62/558575062.db2.gz YCAVJHNFSOQOPS-UHFFFAOYSA-N -1 1 364.398 2.311 20 0 FEADMM FC(F)(F)c1nc(=NCCCn2cc(Br)cn2)s[n-]1 ZINC000388529020 558608863 /nfs/dbraw/zinc/60/88/63/558608863.db2.gz NRRTZAPCJUXING-UHFFFAOYSA-N -1 1 356.171 2.440 20 0 FEADMM C[C@H]1Sc2ccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)cc2NC1=O ZINC000408000202 558637167 /nfs/dbraw/zinc/63/71/67/558637167.db2.gz YAZJLVFTBRIWGV-MWLCHTKSSA-N -1 1 374.422 2.228 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc(Cl)c1[O-] ZINC000408064648 558642908 /nfs/dbraw/zinc/64/29/08/558642908.db2.gz LWZYJBDFUUTQIP-CFVMTHIKSA-N -1 1 369.845 2.446 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1(C)C ZINC000408214216 558656921 /nfs/dbraw/zinc/65/69/21/558656921.db2.gz ICVOHKXJFDPKHE-WHGOUJPWSA-N -1 1 352.250 2.380 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000410305810 558750562 /nfs/dbraw/zinc/75/05/62/558750562.db2.gz VYXKSTMPHAJUAC-UHFFFAOYSA-N -1 1 369.450 2.686 20 0 FEADMM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000410327490 558751750 /nfs/dbraw/zinc/75/17/50/558751750.db2.gz QYTCDBMYTOZGMH-UHFFFAOYSA-N -1 1 351.428 2.156 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1OC ZINC000410362993 558753282 /nfs/dbraw/zinc/75/32/82/558753282.db2.gz HMDAVQTZVJWFJQ-UHFFFAOYSA-N -1 1 363.391 2.218 20 0 FEADMM O=C1CCN1c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000410416715 558756437 /nfs/dbraw/zinc/75/64/37/558756437.db2.gz HSYQDQUCLFCMIL-UHFFFAOYSA-N -1 1 369.402 2.066 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(OC(C)C)nc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000525825793 562256359 /nfs/dbraw/zinc/25/63/59/562256359.db2.gz OLINKMWCHQJDIQ-UHFFFAOYSA-N -1 1 355.354 2.179 20 0 FEADMM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1c[n-]c2c(cnn2C)c1=O)C1CC1 ZINC000412502224 559039622 /nfs/dbraw/zinc/03/96/22/559039622.db2.gz BKBVQIDAQCYMEB-JTQLQIEISA-N -1 1 360.414 2.009 20 0 FEADMM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1csc(=NC2CC2)[n-]1)C1CC1 ZINC000412510495 559040376 /nfs/dbraw/zinc/04/03/76/559040376.db2.gz QMCCJLJZHYLQCJ-JTQLQIEISA-N -1 1 351.472 3.052 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)sc1C ZINC000526943864 562270228 /nfs/dbraw/zinc/27/02/28/562270228.db2.gz DPPQXFAYZCIRDN-AWEZNQCLSA-N -1 1 371.528 2.362 20 0 FEADMM CN(C)C(=O)c1ccc(=NC[C@H](Cc2ccccc2)C(F)(F)F)[n-]n1 ZINC000413314084 559097810 /nfs/dbraw/zinc/09/78/10/559097810.db2.gz STYQDRBDTHMLMM-ZDUSSCGKSA-N -1 1 352.360 3.012 20 0 FEADMM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000414437402 559163876 /nfs/dbraw/zinc/16/38/76/559163876.db2.gz BRMSSIYMZPCVBF-UHFFFAOYSA-N -1 1 368.846 2.409 20 0 FEADMM Cc1nnc(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1C ZINC000414465199 559165995 /nfs/dbraw/zinc/16/59/95/559165995.db2.gz PYGHVUSYIZUXSZ-UHFFFAOYSA-N -1 1 355.272 2.013 20 0 FEADMM O=C([O-])CCCNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000414624615 559175965 /nfs/dbraw/zinc/17/59/65/559175965.db2.gz JEQLKEGDAGVLPA-LBPRGKRZSA-N -1 1 371.319 2.077 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccccc2OCC2CC2)C1=O ZINC000414655522 559177644 /nfs/dbraw/zinc/17/76/44/559177644.db2.gz JQSQGYNQHVQQMQ-SJLPKXTDSA-N -1 1 360.454 2.275 20 0 FEADMM Cn1nc(C(F)F)c2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)sc21 ZINC000527168227 562278768 /nfs/dbraw/zinc/27/87/68/562278768.db2.gz ITZNPFHQRGICIR-ZETCQYMHSA-N -1 1 367.385 2.105 20 0 FEADMM CC(C)(CNC(=O)c1ccc(Br)cc1[O-])C1(O)CCOCC1 ZINC000416316673 559305248 /nfs/dbraw/zinc/30/52/48/559305248.db2.gz HMLLJVWLMAWSSY-UHFFFAOYSA-N -1 1 372.259 2.452 20 0 FEADMM Cn1cnc(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000416536802 559320431 /nfs/dbraw/zinc/32/04/31/559320431.db2.gz RARCLNRAZOAGCK-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@@H]1CCCOC1)c1c(Cl)cc(F)cc1Cl ZINC000416608800 559324900 /nfs/dbraw/zinc/32/49/00/559324900.db2.gz LENTYASDSCZGTN-PELKAZGASA-N -1 1 372.245 2.198 20 0 FEADMM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000416627606 559326032 /nfs/dbraw/zinc/32/60/32/559326032.db2.gz WGKFOKILFBOMEA-SSDOTTSWSA-N -1 1 357.234 2.324 20 0 FEADMM COCCn1cc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cn1 ZINC000417568060 559367218 /nfs/dbraw/zinc/36/72/18/559367218.db2.gz SWUVSKAEHQUMPN-SFHVURJKSA-N -1 1 369.425 2.021 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1ccccc1 ZINC000420681059 559497578 /nfs/dbraw/zinc/49/75/78/559497578.db2.gz YMUVGBUNDAKRMK-HZPDHXFCSA-N -1 1 357.472 2.271 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1cc(C)cc(C)c1 ZINC000420683007 559497691 /nfs/dbraw/zinc/49/76/91/559497691.db2.gz BJGOPCNVHSLOHA-IRXDYDNUSA-N -1 1 371.499 2.498 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c(N(C)C)c1 ZINC000421164761 559528090 /nfs/dbraw/zinc/52/80/90/559528090.db2.gz LGXICOKOVHCYQL-CQSZACIVSA-N -1 1 372.487 2.342 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccnc1NC(C)=O ZINC000421244876 559533275 /nfs/dbraw/zinc/53/32/75/559533275.db2.gz GFHYGZSUCQDEQT-OAHLLOKOSA-N -1 1 363.439 2.039 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(F)c3C)CC2)n1 ZINC000421885121 559555529 /nfs/dbraw/zinc/55/55/29/559555529.db2.gz FNPFWIINKNBDFI-UHFFFAOYSA-N -1 1 360.389 2.449 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@H](C)CC)c2)n1 ZINC000422222126 559572290 /nfs/dbraw/zinc/57/22/90/559572290.db2.gz DACJHTOUPLXGMZ-GFCCVEGCSA-N -1 1 359.430 2.494 20 0 FEADMM CS(=O)(=O)c1cccc(OCCN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000424265436 559660100 /nfs/dbraw/zinc/66/01/00/559660100.db2.gz VNSFMYXXZHBNRT-AWEZNQCLSA-N -1 1 355.456 2.188 20 0 FEADMM CC(C)C[C@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)[O-] ZINC000424388409 559662542 /nfs/dbraw/zinc/66/25/42/559662542.db2.gz KAZKLSIBYYGTQQ-MRXNPFEDSA-N -1 1 369.506 2.068 20 0 FEADMM CC(C)(CCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)[O-] ZINC000424447166 559665453 /nfs/dbraw/zinc/66/54/53/559665453.db2.gz UNGBZOYMJNBODX-UHFFFAOYSA-N -1 1 368.340 2.056 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000424549795 559668993 /nfs/dbraw/zinc/66/89/93/559668993.db2.gz WTPHZOLPQOFBPS-IZHWHUGBSA-N -1 1 366.508 2.283 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCC[C@@H](F)C1 ZINC000424767673 559676102 /nfs/dbraw/zinc/67/61/02/559676102.db2.gz RDOAQDDGICZPDP-WDEREUQCSA-N -1 1 356.419 2.300 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CC[C@H]3O)c2)c1 ZINC000425063227 559686065 /nfs/dbraw/zinc/68/60/65/559686065.db2.gz WRHUPYWGERTADC-IAGOWNOFSA-N -1 1 374.462 2.357 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C2(O)CCOCC2)c(F)c1 ZINC000425183747 559689989 /nfs/dbraw/zinc/68/99/89/559689989.db2.gz HMIDJDCSXRSLRG-UHFFFAOYSA-N -1 1 363.426 2.119 20 0 FEADMM C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300445 559695381 /nfs/dbraw/zinc/69/53/81/559695381.db2.gz LLGJRLPIIOZPBU-CHWSQXEVSA-N -1 1 367.409 2.303 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1C(N)=O ZINC000425966140 559726159 /nfs/dbraw/zinc/72/61/59/559726159.db2.gz KPIAMRUIMAKBRG-UHFFFAOYSA-N -1 1 358.419 2.414 20 0 FEADMM COc1cc(CC2CN(C(=O)c3csc(=NC4CC4)[n-]3)C2)cc(OC)c1 ZINC000426639529 559739434 /nfs/dbraw/zinc/73/94/34/559739434.db2.gz XBSIVGCAQJCYGK-UHFFFAOYSA-N -1 1 373.478 3.049 20 0 FEADMM Cc1cnc(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)c([O-])c1 ZINC000427139518 559748879 /nfs/dbraw/zinc/74/88/79/559748879.db2.gz HMBOJXFEKIFLPY-INIZCTEOSA-N -1 1 353.422 2.059 20 0 FEADMM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000427695037 559760485 /nfs/dbraw/zinc/76/04/85/559760485.db2.gz KVBHOTGZKIRXSM-SECBINFHSA-N -1 1 372.351 2.276 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C/c2ccc(F)cc2)c1 ZINC000427904260 559764982 /nfs/dbraw/zinc/76/49/82/559764982.db2.gz UAMOVJJAFQDXPE-NSCUHMNNSA-N -1 1 364.398 2.481 20 0 FEADMM COc1cc(NC(=O)N2CC(C)=C[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000432089538 559851889 /nfs/dbraw/zinc/85/18/89/559851889.db2.gz JLLIQYWIAXZBKG-NSHDSACASA-N -1 1 353.444 2.497 20 0 FEADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc2o1 ZINC000432206005 559854170 /nfs/dbraw/zinc/85/41/70/559854170.db2.gz OIDHDANVKIOFDU-UHFFFAOYSA-N -1 1 357.347 2.176 20 0 FEADMM CN1CC[C@H](N=c2[n-]c(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000432323144 559856194 /nfs/dbraw/zinc/85/61/94/559856194.db2.gz PGBVHMXQFUTJQD-AAEUAGOBSA-N -1 1 354.838 2.892 20 0 FEADMM CN1CC[C@H](N=c2[n-]c(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000432323146 559856324 /nfs/dbraw/zinc/85/63/24/559856324.db2.gz PGBVHMXQFUTJQD-WCQYABFASA-N -1 1 354.838 2.892 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@H](N=c2[n-]c(C(N)=O)cs2)C1 ZINC000432339263 559856803 /nfs/dbraw/zinc/85/68/03/559856803.db2.gz SDDMJKITRQSXKA-JTQLQIEISA-N -1 1 352.847 2.595 20 0 FEADMM COc1cc(NC(=O)CCc2cncs2)ccc1[N-]S(C)(=O)=O ZINC000432391214 559857876 /nfs/dbraw/zinc/85/78/76/559857876.db2.gz IUNULFKOYRWCLQ-UHFFFAOYSA-N -1 1 355.441 2.095 20 0 FEADMM COC(=O)c1c[n-]c(SCCCS(=O)(=O)c2ccc(F)cc2)n1 ZINC000432665293 559862850 /nfs/dbraw/zinc/86/28/50/559862850.db2.gz CGALWYNKTSQEDP-UHFFFAOYSA-N -1 1 358.416 2.292 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ncncc3Cl)c2)n1 ZINC000432935854 559868067 /nfs/dbraw/zinc/86/80/67/559868067.db2.gz CLBMXTDHGOXNLH-UHFFFAOYSA-N -1 1 358.789 2.704 20 0 FEADMM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1ccc(Br)o1 ZINC000433344890 559877762 /nfs/dbraw/zinc/87/77/62/559877762.db2.gz VEDSHQKXAKQDKX-UHFFFAOYSA-N -1 1 364.261 2.263 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c2ccc(F)cc2O1 ZINC000433518264 559883368 /nfs/dbraw/zinc/88/33/68/559883368.db2.gz TZGMVSYKBDCEMC-SECBINFHSA-N -1 1 367.354 2.206 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2ccccc2O)c(C)c1OCC(=O)[O-] ZINC000433806141 559888023 /nfs/dbraw/zinc/88/80/23/559888023.db2.gz PQGZSPMMQZDUPC-UHFFFAOYSA-N -1 1 351.380 2.273 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@H]3C[C@H]3C)c2)n1 ZINC000434102939 559894146 /nfs/dbraw/zinc/89/41/46/559894146.db2.gz VZMSXEOBYJQEPX-BXUZGUMPSA-N -1 1 357.414 2.104 20 0 FEADMM Cc1cc(CCC(=O)NC(C)(C)c2nn[n-]n2)ccc1Br ZINC000434356518 559898760 /nfs/dbraw/zinc/89/87/60/559898760.db2.gz WTBDFEYKYYGASB-UHFFFAOYSA-N -1 1 352.236 2.255 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)cnc2n1 ZINC000434499995 559901624 /nfs/dbraw/zinc/90/16/24/559901624.db2.gz PERSGNALYDKTPZ-IINYFYTJSA-N -1 1 369.343 2.419 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000434499995 559901625 /nfs/dbraw/zinc/90/16/25/559901625.db2.gz PERSGNALYDKTPZ-IINYFYTJSA-N -1 1 369.343 2.419 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)cnc2n1 ZINC000434499996 559901756 /nfs/dbraw/zinc/90/17/56/559901756.db2.gz PERSGNALYDKTPZ-QMTHXVAHSA-N -1 1 369.343 2.419 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000434499996 559901757 /nfs/dbraw/zinc/90/17/57/559901757.db2.gz PERSGNALYDKTPZ-QMTHXVAHSA-N -1 1 369.343 2.419 20 0 FEADMM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435442809 559923176 /nfs/dbraw/zinc/92/31/76/559923176.db2.gz NAJJLLLLIIPBGB-KCJUWKMLSA-N -1 1 369.245 2.326 20 0 FEADMM O=S(=O)([N-]CCCn1ccnn1)c1c(Cl)cc(F)cc1Cl ZINC000435444536 559923455 /nfs/dbraw/zinc/92/34/55/559923455.db2.gz YPBCPFKOWOUDMB-UHFFFAOYSA-N -1 1 353.206 2.093 20 0 FEADMM CCc1occc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000435795654 559930106 /nfs/dbraw/zinc/93/01/06/559930106.db2.gz DXJFMCUGXYWXQR-UHFFFAOYSA-N -1 1 350.396 2.241 20 0 FEADMM Cc1cc(CCNC(=O)c2cc(I)ccc2[O-])on1 ZINC000436677944 559948509 /nfs/dbraw/zinc/94/85/09/559948509.db2.gz ZHDVQMPFOSUCOT-UHFFFAOYSA-N -1 1 372.162 2.266 20 0 FEADMM COc1ccc(O)cc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000436113294 559935372 /nfs/dbraw/zinc/93/53/72/559935372.db2.gz VGZHEAHTMLPPHU-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(O)(C(F)F)CC1 ZINC000436835475 559953539 /nfs/dbraw/zinc/95/35/39/559953539.db2.gz WJEVYMWPPQZKGG-UHFFFAOYSA-N -1 1 350.159 2.387 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)[N-]c3cc(-c4nc[nH]n4)ccc3F)cc12 ZINC000436473505 559942294 /nfs/dbraw/zinc/94/22/94/559942294.db2.gz BEUYKFJMQGSRHT-UHFFFAOYSA-N -1 1 374.357 2.256 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCn2c(=O)oc3ccccc32)c1 ZINC000436505378 559943379 /nfs/dbraw/zinc/94/33/79/559943379.db2.gz PPHVVQDWENEBIZ-UHFFFAOYSA-N -1 1 356.334 2.116 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(OCC(F)F)ccn2)c1 ZINC000436503462 559943520 /nfs/dbraw/zinc/94/35/20/559943520.db2.gz HQMNSIGKHSMDQO-UHFFFAOYSA-N -1 1 352.293 2.470 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)c1 ZINC000436508551 559943637 /nfs/dbraw/zinc/94/36/37/559943637.db2.gz PYTRBDQBWKHYMW-CYBMUJFWSA-N -1 1 370.405 2.255 20 0 FEADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1c([O-])cccc1F ZINC000436512188 559943874 /nfs/dbraw/zinc/94/38/74/559943874.db2.gz JXXCSAOMJIHFAZ-IIAWOOMASA-N -1 1 354.381 2.418 20 0 FEADMM Cc1noc(C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436612460 559946720 /nfs/dbraw/zinc/94/67/20/559946720.db2.gz YETNDSORHNRDGS-MRXNPFEDSA-N -1 1 351.362 2.367 20 0 FEADMM Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)cn2)n1 ZINC000436671444 559948463 /nfs/dbraw/zinc/94/84/63/559948463.db2.gz JGRQNQWJZJVQEQ-UHFFFAOYSA-N -1 1 350.378 2.089 20 0 FEADMM COCCO[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436674660 559948632 /nfs/dbraw/zinc/94/86/32/559948632.db2.gz WEIZISBJZCHLIN-LBPRGKRZSA-N -1 1 358.232 2.422 20 0 FEADMM COC(=O)CCSc1ncccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436709580 559949629 /nfs/dbraw/zinc/94/96/29/559949629.db2.gz YHUXMZSDUWLAFX-UHFFFAOYSA-N -1 1 360.391 2.264 20 0 FEADMM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC000436718899 559949982 /nfs/dbraw/zinc/94/99/82/559949982.db2.gz XXGNZNNFMNSVCK-GFCCVEGCSA-N -1 1 366.414 2.018 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC(=O)N(CC(F)(F)F)C1 ZINC000436724364 559950076 /nfs/dbraw/zinc/95/00/76/559950076.db2.gz ZBIVRWHLNPBZHJ-UHFFFAOYSA-N -1 1 356.222 2.215 20 0 FEADMM O=C(NC[C@@H](CO)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000436737631 559950551 /nfs/dbraw/zinc/95/05/51/559950551.db2.gz JIQKIIPQDCJBEC-NSHDSACASA-N -1 1 351.200 2.056 20 0 FEADMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1ccon1 ZINC000436764022 559951146 /nfs/dbraw/zinc/95/11/46/559951146.db2.gz JGYDZPOHRYXIQM-SSDOTTSWSA-N -1 1 358.135 2.476 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])nc2ccccc12 ZINC000436869778 559954866 /nfs/dbraw/zinc/95/48/66/559954866.db2.gz LHZBKOLVPBIWNV-UHFFFAOYSA-N -1 1 357.391 2.149 20 0 FEADMM CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc21 ZINC000436906632 559955958 /nfs/dbraw/zinc/95/59/58/559955958.db2.gz QYVBIGQJWSSCFZ-UHFFFAOYSA-N -1 1 365.389 2.257 20 0 FEADMM O=C(NC[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1)c1ccccc1 ZINC000436934831 559956935 /nfs/dbraw/zinc/95/69/35/559956935.db2.gz IENRIHDKRZYRIB-HNNXBMFYSA-N -1 1 366.417 2.244 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(OC)cc1OC ZINC000436940236 559957163 /nfs/dbraw/zinc/95/71/63/559957163.db2.gz VGUDPKKVNGYCRX-INIZCTEOSA-N -1 1 363.341 2.193 20 0 FEADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000436981136 559958263 /nfs/dbraw/zinc/95/82/63/559958263.db2.gz PUIIHCTUAUKAKN-CQSZACIVSA-N -1 1 352.387 2.060 20 0 FEADMM COc1cc(C[C@H](CO)CNC(=O)c2c([O-])cccc2F)cc(OC)c1 ZINC000436988475 559958730 /nfs/dbraw/zinc/95/87/30/559958730.db2.gz KCSSESBWLHPHPA-ZDUSSCGKSA-N -1 1 363.385 2.130 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c([O-])cccc1F ZINC000436989347 559958833 /nfs/dbraw/zinc/95/88/33/559958833.db2.gz OIGKXTVPSPVGJJ-SECBINFHSA-N -1 1 350.296 2.345 20 0 FEADMM CC(C)(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)Cc1ccc(Cl)cc1 ZINC000438642801 559981689 /nfs/dbraw/zinc/98/16/89/559981689.db2.gz BSBVCNYDDVGUPZ-UHFFFAOYSA-N -1 1 370.862 2.459 20 0 FEADMM CC(C)(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)Cc1ccc(Cl)cc1 ZINC000438642801 559981690 /nfs/dbraw/zinc/98/16/90/559981690.db2.gz BSBVCNYDDVGUPZ-UHFFFAOYSA-N -1 1 370.862 2.459 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CO)cc1 ZINC000438757995 559983204 /nfs/dbraw/zinc/98/32/04/559983204.db2.gz NJICORDWPXQUAL-NSHDSACASA-N -1 1 366.414 2.046 20 0 FEADMM CCc1ccc(-c2ccc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)o2)cc1 ZINC000439150840 559989129 /nfs/dbraw/zinc/98/91/29/559989129.db2.gz IPNBTEKJEGMNAT-UHFFFAOYSA-N -1 1 360.395 2.283 20 0 FEADMM CCc1ccc(-c2ccc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)o2)cc1 ZINC000439150840 559989130 /nfs/dbraw/zinc/98/91/30/559989130.db2.gz IPNBTEKJEGMNAT-UHFFFAOYSA-N -1 1 360.395 2.283 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)CO)o1 ZINC000439194863 559989838 /nfs/dbraw/zinc/98/98/38/559989838.db2.gz YXCVYKRTASBXJQ-OAHLLOKOSA-N -1 1 367.423 2.104 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1 ZINC000439255635 559990836 /nfs/dbraw/zinc/99/08/36/559990836.db2.gz GEVGEMYMNNLMMJ-UHFFFAOYSA-N -1 1 374.447 2.366 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1cnc2nc(C)ccc2c1[O-])c1ccccc1 ZINC000440138220 560005434 /nfs/dbraw/zinc/00/54/34/560005434.db2.gz QBPFZDXQGHPGCV-OAHLLOKOSA-N -1 1 365.389 2.330 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1c[n-]c2nc(C)ccc2c1=O)c1ccccc1 ZINC000440138220 560005435 /nfs/dbraw/zinc/00/54/35/560005435.db2.gz QBPFZDXQGHPGCV-OAHLLOKOSA-N -1 1 365.389 2.330 20 0 FEADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442601123 560053332 /nfs/dbraw/zinc/05/33/32/560053332.db2.gz IUXFFRXHDFGHSV-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442941490 560062877 /nfs/dbraw/zinc/06/28/77/560062877.db2.gz FUMXJPODXLYHAC-LBPRGKRZSA-N -1 1 372.874 2.486 20 0 FEADMM CCc1nn(C)c(OC)c1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443110890 560071155 /nfs/dbraw/zinc/07/11/55/560071155.db2.gz SFAADTGHNCZTQE-UHFFFAOYSA-N -1 1 353.806 2.289 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(OC)c1 ZINC000443148637 560072695 /nfs/dbraw/zinc/07/26/95/560072695.db2.gz UYTUNPWQPLAMNU-UHFFFAOYSA-N -1 1 367.345 2.245 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)o1 ZINC000443320145 560079684 /nfs/dbraw/zinc/07/96/84/560079684.db2.gz YNRWDRDXKKUGTE-ZDUSSCGKSA-N -1 1 359.444 2.066 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 ZINC000443463414 560084459 /nfs/dbraw/zinc/08/44/59/560084459.db2.gz BJQLDZVPJVCEEM-UHFFFAOYSA-N -1 1 364.427 2.165 20 0 FEADMM CO[C@H](C)c1noc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)n1 ZINC000443766481 560092268 /nfs/dbraw/zinc/09/22/68/560092268.db2.gz VLJSTGGCHQALJZ-SNVBAGLBSA-N -1 1 357.370 2.444 20 0 FEADMM Cc1ccc(-c2cc(C(=O)NC3(c4nn[n-]n4)CCCC3)[nH]n2)cc1C ZINC000444025476 560099502 /nfs/dbraw/zinc/09/95/02/560099502.db2.gz UBWCGQKFVDVSGU-UHFFFAOYSA-N -1 1 351.414 2.406 20 0 FEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CC2CCCCC2)(C(=O)OC)C1(C)C ZINC000444277109 560107765 /nfs/dbraw/zinc/10/77/65/560107765.db2.gz PJZMJJPMVJZQQX-WMLDXEAASA-N -1 1 361.504 2.233 20 0 FEADMM COCCCOCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444361701 560111493 /nfs/dbraw/zinc/11/14/93/560111493.db2.gz FRGAIBRDGIDLAJ-UHFFFAOYSA-N -1 1 364.442 2.446 20 0 FEADMM COC(=O)c1ccccc1-c1ccccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000444379867 560112609 /nfs/dbraw/zinc/11/26/09/560112609.db2.gz CRRNVIBGFQOURH-UHFFFAOYSA-N -1 1 363.377 2.072 20 0 FEADMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000444625769 560116991 /nfs/dbraw/zinc/11/69/91/560116991.db2.gz PVCWBIMCPSCDDV-LBPRGKRZSA-N -1 1 365.315 2.150 20 0 FEADMM CCCN(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)C(C)(C)C ZINC000444729940 560119065 /nfs/dbraw/zinc/11/90/65/560119065.db2.gz GJRJWGFFIKTQHL-UHFFFAOYSA-N -1 1 364.490 2.297 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1F ZINC000446144032 560140669 /nfs/dbraw/zinc/14/06/69/560140669.db2.gz BFSUVWJWWJRVLZ-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1F ZINC000446626177 560148701 /nfs/dbraw/zinc/14/87/01/560148701.db2.gz BCIAWAJWYKRIIN-UHFFFAOYSA-N -1 1 351.355 2.348 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)o1 ZINC000446644379 560148887 /nfs/dbraw/zinc/14/88/87/560148887.db2.gz ZPVSTCDBVHLQCO-UHFFFAOYSA-N -1 1 351.340 2.159 20 0 FEADMM O=S(=O)(Cc1ncnn1CC(F)F)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447183081 560157674 /nfs/dbraw/zinc/15/76/74/560157674.db2.gz IYEVQLKPMUBQRX-UHFFFAOYSA-N -1 1 371.344 2.046 20 0 FEADMM O=S(=O)(Cc1ncnn1CC(F)F)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447183081 560157675 /nfs/dbraw/zinc/15/76/75/560157675.db2.gz IYEVQLKPMUBQRX-UHFFFAOYSA-N -1 1 371.344 2.046 20 0 FEADMM Cc1ncc(S(=O)(=O)[N-]c2ccc(C)c(N3CC[NH+]=C3[O-])c2)s1 ZINC000447261795 560158967 /nfs/dbraw/zinc/15/89/67/560158967.db2.gz AUUMHRNIJJIBPZ-UHFFFAOYSA-N -1 1 352.441 2.090 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(F)c3-c3nc[nH]n3)cc12 ZINC000447271066 560159258 /nfs/dbraw/zinc/15/92/58/560159258.db2.gz OOSYICUOBSASQA-UHFFFAOYSA-N -1 1 374.357 2.256 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CCSC3)c2)n1 ZINC000447681922 560166659 /nfs/dbraw/zinc/16/66/59/560166659.db2.gz TVBVWJNXKIEFGJ-ZDUSSCGKSA-N -1 1 360.439 2.018 20 0 FEADMM CC[C@@H](CO)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000450579033 560266709 /nfs/dbraw/zinc/26/67/09/560266709.db2.gz LHQHBNFUZIWIJI-LBPRGKRZSA-N -1 1 371.409 2.368 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C(C)C)c(F)c1 ZINC000450971945 560280751 /nfs/dbraw/zinc/28/07/51/560280751.db2.gz PVDNGKHQBGAMHY-NSHDSACASA-N -1 1 366.480 2.300 20 0 FEADMM CC(C)c1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000451114656 560287921 /nfs/dbraw/zinc/28/79/21/560287921.db2.gz LYQLQCBZLNNSEM-NSHDSACASA-N -1 1 350.444 2.177 20 0 FEADMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1(C)C ZINC000451447149 560307558 /nfs/dbraw/zinc/30/75/58/560307558.db2.gz AVCLDFUTNFCNEM-WMLDXEAASA-N -1 1 371.430 2.416 20 0 FEADMM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(C)C ZINC000451731800 560325298 /nfs/dbraw/zinc/32/52/98/560325298.db2.gz DAQROAVMSPJWHY-LBPRGKRZSA-N -1 1 350.843 2.260 20 0 FEADMM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000451843482 560332081 /nfs/dbraw/zinc/33/20/81/560332081.db2.gz XVFQAPJXPOBJDV-BDAKNGLRSA-N -1 1 366.233 2.052 20 0 FEADMM CC1(C)CCCN1CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000452081686 560350014 /nfs/dbraw/zinc/35/00/14/560350014.db2.gz DIPAIHCSCCPGJO-UHFFFAOYSA-N -1 1 354.369 2.396 20 0 FEADMM CO[C@@H]1COCC[C@@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000452622082 560369193 /nfs/dbraw/zinc/36/91/93/560369193.db2.gz QEHHDSUDHYAIEK-MEBBXXQBSA-N -1 1 350.802 2.375 20 0 FEADMM CC[C@H]1CN(CC)CCN1C(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000454983961 560466150 /nfs/dbraw/zinc/46/61/50/560466150.db2.gz PTJLMULQTSYVGC-VIFPVBQESA-N -1 1 351.398 2.591 20 0 FEADMM CCOC(=O)c1cc(C(=O)[N-]c2cc(F)c(OC)c(F)c2OC)on1 ZINC000456258501 560513547 /nfs/dbraw/zinc/51/35/47/560513547.db2.gz QZZNYYWDLBLJNO-UHFFFAOYSA-N -1 1 356.281 2.399 20 0 FEADMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1n1cccn1 ZINC000456625777 560526235 /nfs/dbraw/zinc/52/62/35/560526235.db2.gz CENDGXWGEVAJAT-ARFHVFGLSA-N -1 1 357.410 2.085 20 0 FEADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc([O-])c(F)c1F ZINC000456793452 560533031 /nfs/dbraw/zinc/53/30/31/560533031.db2.gz MCRKAOZVKSTUPF-AOOOYVTPSA-N -1 1 352.337 2.174 20 0 FEADMM COCC1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCCC1 ZINC000456889679 560535753 /nfs/dbraw/zinc/53/57/53/560535753.db2.gz WFPBUYQLNPJJGX-UHFFFAOYSA-N -1 1 353.488 2.468 20 0 FEADMM CN(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000456914101 560537701 /nfs/dbraw/zinc/53/77/01/560537701.db2.gz GTVCXRIRWJANGB-NSHDSACASA-N -1 1 359.348 2.287 20 0 FEADMM C[C@H]1C[C@H](O)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000456990242 560542655 /nfs/dbraw/zinc/54/26/55/560542655.db2.gz FFDTXSRLHZCJBP-YOEHRIQHSA-N -1 1 374.462 2.330 20 0 FEADMM CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457320273 560562361 /nfs/dbraw/zinc/56/23/61/560562361.db2.gz ZMPDBEOTNXGDIN-CYBMUJFWSA-N -1 1 366.368 2.106 20 0 FEADMM CC[C@H]1CN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC[N@H+]1C[C@@H](C)O ZINC000459342260 560680984 /nfs/dbraw/zinc/68/09/84/560680984.db2.gz WZWKLJLCDVRYRM-QAPCUYQASA-N -1 1 356.470 2.126 20 0 FEADMM COc1cc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)cc(Cl)c1[O-] ZINC000460185979 560737466 /nfs/dbraw/zinc/73/74/66/560737466.db2.gz VNOPWCUMSWQLNX-LBPRGKRZSA-N -1 1 372.874 2.342 20 0 FEADMM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc(=O)n2[n-]cnc2n1 ZINC000460284005 560740701 /nfs/dbraw/zinc/74/07/01/560740701.db2.gz PUELWRMSLLWMGZ-UHFFFAOYSA-N -1 1 374.332 2.072 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000460430529 560743495 /nfs/dbraw/zinc/74/34/95/560743495.db2.gz UGUGMXZLFDWOAH-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1C(N)=O ZINC000460820073 560752582 /nfs/dbraw/zinc/75/25/82/560752582.db2.gz LQTBANIQIMDBDN-UHFFFAOYSA-N -1 1 359.407 2.087 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc12 ZINC000461338890 560767177 /nfs/dbraw/zinc/76/71/77/560767177.db2.gz CPYCKVBGHXLOTC-UHFFFAOYSA-N -1 1 372.450 2.384 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3sccc3[nH]2)c1 ZINC000461454627 560771890 /nfs/dbraw/zinc/77/18/90/560771890.db2.gz UZFIQODBKYEBCK-UHFFFAOYSA-N -1 1 351.409 2.095 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(F)c2SC)c1 ZINC000461461240 560772349 /nfs/dbraw/zinc/77/23/49/560772349.db2.gz SESQALVGRXHBHY-UHFFFAOYSA-N -1 1 370.427 2.414 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3ncsc3c2)c1 ZINC000461462198 560772418 /nfs/dbraw/zinc/77/24/18/560772418.db2.gz DEPPMECLGBMCBM-UHFFFAOYSA-N -1 1 363.420 2.162 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000461461250 560772485 /nfs/dbraw/zinc/77/24/85/560772485.db2.gz SHVRIZZGEWLSCA-GFCCVEGCSA-N -1 1 366.464 2.420 20 0 FEADMM Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000461635703 560778399 /nfs/dbraw/zinc/77/83/99/560778399.db2.gz QBTYTNZECADZOY-UHFFFAOYSA-N -1 1 360.399 2.080 20 0 FEADMM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC(C)(C)c1nn[n-]n1 ZINC000461649412 560778796 /nfs/dbraw/zinc/77/87/96/560778796.db2.gz SSPWJLIWDTXFJP-UHFFFAOYSA-N -1 1 354.418 2.068 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c1 ZINC000462099446 560796967 /nfs/dbraw/zinc/79/69/67/560796967.db2.gz FJWLULXIGZHVTJ-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N(C)CCc1cccc(Br)c1 ZINC000462300857 560804847 /nfs/dbraw/zinc/80/48/47/560804847.db2.gz UTUBKYPAJCBBOH-UHFFFAOYSA-N -1 1 374.260 2.191 20 0 FEADMM COc1ccc(NC(=O)c2nc(C)c(C)nc2C)cc1[N-]S(C)(=O)=O ZINC000463525120 560817949 /nfs/dbraw/zinc/81/79/49/560817949.db2.gz UODJRLZJLAFNDI-UHFFFAOYSA-N -1 1 364.427 2.034 20 0 FEADMM C[C@@H](O)CN(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000463665770 560820738 /nfs/dbraw/zinc/82/07/38/560820738.db2.gz OLQVFOVYNMWORH-CYBMUJFWSA-N -1 1 363.439 2.332 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000463793879 560824588 /nfs/dbraw/zinc/82/45/88/560824588.db2.gz CQJIPOBFAJQSME-UHFFFAOYSA-N -1 1 361.326 2.176 20 0 FEADMM COc1ccc(NC(=O)NC[C@H]2CCCS2)cc1[N-]S(C)(=O)=O ZINC000465233400 560861117 /nfs/dbraw/zinc/86/11/17/560861117.db2.gz SVVXVMQKPFFIHP-LLVKDONJSA-N -1 1 359.473 2.084 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000467076475 560903110 /nfs/dbraw/zinc/90/31/10/560903110.db2.gz VEZDTVALQIEJNI-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM N=c1nc(N2CCN(CCCOc3cccc(Cl)c3)CC2)s[n-]1 ZINC000468909606 560942054 /nfs/dbraw/zinc/94/20/54/560942054.db2.gz IRXTZRPRPCQDIH-UHFFFAOYSA-N -1 1 353.879 2.365 20 0 FEADMM CCC[C@H](NC(=O)c1cc(C)n(-c2c(F)cccc2F)n1)c1nn[n-]n1 ZINC000468945020 560943007 /nfs/dbraw/zinc/94/30/07/560943007.db2.gz KKZTVOKBLPRQFH-LBPRGKRZSA-N -1 1 361.356 2.243 20 0 FEADMM Cc1cc(=O)[nH]cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000470848669 560991274 /nfs/dbraw/zinc/99/12/74/560991274.db2.gz UYNCMXLZPDTGGR-UHFFFAOYSA-N -1 1 353.400 2.018 20 0 FEADMM O=C(CCc1nc2ccccc2n1-c1ccccc1)NC1(c2nn[n-]n2)CC1 ZINC000470972665 560995574 /nfs/dbraw/zinc/99/55/74/560995574.db2.gz ZEZMJSBWEAOMFX-UHFFFAOYSA-N -1 1 373.420 2.277 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000470979793 560995705 /nfs/dbraw/zinc/99/57/05/560995705.db2.gz OYSVFYYOANAWSR-UHFFFAOYSA-N -1 1 369.406 2.119 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000473204125 561044401 /nfs/dbraw/zinc/04/44/01/561044401.db2.gz FFQNRANMTGNLSG-SSDOTTSWSA-N -1 1 352.416 2.141 20 0 FEADMM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC1(c2nn[n-]n2)CC1 ZINC000473367292 561048649 /nfs/dbraw/zinc/04/86/49/561048649.db2.gz ZLTIJIXEWKWKEI-UHFFFAOYSA-N -1 1 373.804 2.031 20 0 FEADMM Cc1c(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cccc1NC(=O)N(C)C ZINC000473527612 561051894 /nfs/dbraw/zinc/05/18/94/561051894.db2.gz ORMFNJGWFCUYBE-UHFFFAOYSA-N -1 1 368.397 2.328 20 0 FEADMM Cc1ccc([C@@H]2CCN(C(=O)CNC(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000473525500 561051979 /nfs/dbraw/zinc/05/19/79/561051979.db2.gz PIZSUKPOGDMOPP-OAHLLOKOSA-N -1 1 353.422 2.150 20 0 FEADMM COCCOC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473851115 561059082 /nfs/dbraw/zinc/05/90/82/561059082.db2.gz ATSKUHLWLQCZQI-MRVPVSSYSA-N -1 1 360.234 2.462 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CC1 ZINC000473857415 561059496 /nfs/dbraw/zinc/05/94/96/561059496.db2.gz HABOPVNPYZUUPH-NSHDSACASA-N -1 1 356.202 2.362 20 0 FEADMM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473939505 561061322 /nfs/dbraw/zinc/06/13/22/561061322.db2.gz IYNAPHQMYXHKKO-IONNQARKSA-N -1 1 369.245 2.326 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C)c1ccco1 ZINC000474181378 561067757 /nfs/dbraw/zinc/06/77/57/561067757.db2.gz YIYJRWHOBJFICS-CQSZACIVSA-N -1 1 367.423 2.349 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000474322777 561071200 /nfs/dbraw/zinc/07/12/00/561071200.db2.gz HAEMCGPIHNUSRZ-MRVPVSSYSA-N -1 1 374.422 2.034 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)[nH]n1 ZINC000474430464 561073890 /nfs/dbraw/zinc/07/38/90/561073890.db2.gz HCITZRXQBYRNSN-UHFFFAOYSA-N -1 1 367.427 2.105 20 0 FEADMM Cc1ccc(SC[C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000474580300 561077440 /nfs/dbraw/zinc/07/74/40/561077440.db2.gz RKXXZKHAHYQRMN-ZDUSSCGKSA-N -1 1 359.451 2.122 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cn1 ZINC000475789723 561105454 /nfs/dbraw/zinc/10/54/54/561105454.db2.gz LXVLEGAGSUCHDM-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM CC(C)C[C@@H](CCO)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000476063781 561110689 /nfs/dbraw/zinc/11/06/89/561110689.db2.gz RYHIAPDUKGRVQF-CYBMUJFWSA-N -1 1 374.503 2.131 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000476388719 561118218 /nfs/dbraw/zinc/11/82/18/561118218.db2.gz VOZLHZDCZKOHMW-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2coc3cc(F)ccc32)c1 ZINC000476502890 561121016 /nfs/dbraw/zinc/12/10/16/561121016.db2.gz BHXJRUWRVTXRIZ-UHFFFAOYSA-N -1 1 350.327 2.177 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000476745626 561127519 /nfs/dbraw/zinc/12/75/19/561127519.db2.gz YPCKTQCHSVAEEE-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477035103 561134735 /nfs/dbraw/zinc/13/47/35/561134735.db2.gz ONQUTVUQHYEGRL-AWEZNQCLSA-N -1 1 363.421 2.363 20 0 FEADMM CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000528050468 562312531 /nfs/dbraw/zinc/31/25/31/562312531.db2.gz YTKZWEGNPUKXRL-NSHDSACASA-N -1 1 352.378 2.030 20 0 FEADMM O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000528882174 562351472 /nfs/dbraw/zinc/35/14/72/562351472.db2.gz KUOKDELHJFXRCP-GOEBONIOSA-N -1 1 374.876 2.224 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000528994698 562355788 /nfs/dbraw/zinc/35/57/88/562355788.db2.gz DIGQFNDNKTXAJS-OZWUEAAUSA-N -1 1 371.459 2.000 20 0 FEADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000529040942 562357686 /nfs/dbraw/zinc/35/76/86/562357686.db2.gz GQFSFUQJTKPIDQ-LTHUGSJTSA-N -1 1 367.812 2.257 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)n1[C@H]1CCOC1 ZINC000529249716 562366264 /nfs/dbraw/zinc/36/62/64/562366264.db2.gz DZSSIEHKHRGDMG-KGLIPLIRSA-N -1 1 360.414 2.175 20 0 FEADMM COCCc1noc(CC2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)n1 ZINC000529734607 562383456 /nfs/dbraw/zinc/38/34/56/562383456.db2.gz OVRZWFIKXBMYPC-UHFFFAOYSA-N -1 1 363.389 2.198 20 0 FEADMM C[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000530205207 562402442 /nfs/dbraw/zinc/40/24/42/562402442.db2.gz DPRALEFOLLJMGF-HNNXBMFYSA-N -1 1 370.331 2.459 20 0 FEADMM Cc1cc(C(=O)Nc2ccnn2CCC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530575331 562416498 /nfs/dbraw/zinc/41/64/98/562416498.db2.gz XKCLCRKGBDCORE-UHFFFAOYSA-N -1 1 356.386 2.239 20 0 FEADMM O=C(NCC1(O)CCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000530877943 562427142 /nfs/dbraw/zinc/42/71/42/562427142.db2.gz QFKUESFFNVWTQQ-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM O=S(=O)([N-]Cc1n[nH]cc1Br)c1cc2ccccc2o1 ZINC000531009927 562431828 /nfs/dbraw/zinc/43/18/28/562431828.db2.gz PMEDANMIRDCHIX-UHFFFAOYSA-N -1 1 356.201 2.397 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CN3CCC2CC3)n1 ZINC000531196304 562437877 /nfs/dbraw/zinc/43/78/77/562437877.db2.gz NVARMWNCSSIFMF-INIZCTEOSA-N -1 1 358.417 2.192 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(N2CCOCC2)c1)c1cc2ccccc2o1 ZINC000531485815 562447596 /nfs/dbraw/zinc/44/75/96/562447596.db2.gz YUEIEQALHNMKFF-UHFFFAOYSA-N -1 1 373.434 2.143 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532881990 562491527 /nfs/dbraw/zinc/49/15/27/562491527.db2.gz SUSAEPQNVQXELL-LSDHHAIUSA-N -1 1 373.453 2.327 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)o1 ZINC000533628851 562514724 /nfs/dbraw/zinc/51/47/24/562514724.db2.gz ZPLFUBLYDSYNFD-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)co1 ZINC000533689867 562516106 /nfs/dbraw/zinc/51/61/06/562516106.db2.gz KUNKWYSNPXZGNA-LBPRGKRZSA-N -1 1 366.439 2.466 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCC[C@H](C)CO ZINC000534787018 562542402 /nfs/dbraw/zinc/54/24/02/562542402.db2.gz YXZHPQMHRMXKEM-ZDUSSCGKSA-N -1 1 358.442 2.010 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC(=O)CC1 ZINC000535739438 562566179 /nfs/dbraw/zinc/56/61/79/562566179.db2.gz JKTJRENPZCSMHU-UHFFFAOYSA-N -1 1 358.419 2.293 20 0 FEADMM COCc1nc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cs1 ZINC000536940464 562583052 /nfs/dbraw/zinc/58/30/52/562583052.db2.gz OYPZWBXLPCVOJX-UHFFFAOYSA-N -1 1 359.404 2.052 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1-c1ccc(C)cc1 ZINC000537124342 562585918 /nfs/dbraw/zinc/58/59/18/562585918.db2.gz MFJOIQZPMBOQDR-AWEZNQCLSA-N -1 1 351.414 2.022 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000540728170 562592037 /nfs/dbraw/zinc/59/20/37/562592037.db2.gz QQLDSTTWJGOPQR-GHMZBOCLSA-N -1 1 365.373 2.497 20 0 FEADMM CC[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(OC)cc1 ZINC000540804830 562593627 /nfs/dbraw/zinc/59/36/27/562593627.db2.gz PQFBCSYISOPPSV-AWEZNQCLSA-N -1 1 364.423 2.181 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ncn(C(C)(C)C)n2)c(=O)[n-]1 ZINC000541314711 562608837 /nfs/dbraw/zinc/60/88/37/562608837.db2.gz KMJKUIVBJXTACI-UHFFFAOYSA-N -1 1 350.448 2.130 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000541867064 562621532 /nfs/dbraw/zinc/62/15/32/562621532.db2.gz IISZFTAWKSPHLS-INIZCTEOSA-N -1 1 369.389 2.169 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccncc3)no2)o1 ZINC000546302034 562635869 /nfs/dbraw/zinc/63/58/69/562635869.db2.gz HONUZOWEPCSTMZ-UHFFFAOYSA-N -1 1 362.411 2.392 20 0 FEADMM Cc1nn(-c2ccccn2)c(Cl)c1/C=C/c1cc(=O)n2[n-]cnc2n1 ZINC000806570487 674381436 /nfs/dbraw/zinc/38/14/36/674381436.db2.gz AVECGUJKDZOQEX-AATRIKPKSA-N -1 1 353.773 2.131 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CSCc2cccc(Cl)c2)n[n-]1 ZINC000603020300 568052330 /nfs/dbraw/zinc/05/23/30/568052330.db2.gz ZUXHAEJUMJIGOJ-UHFFFAOYSA-N -1 1 368.846 2.184 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CSCc2cccc(Cl)c2)n1 ZINC000603020300 568052331 /nfs/dbraw/zinc/05/23/31/568052331.db2.gz ZUXHAEJUMJIGOJ-UHFFFAOYSA-N -1 1 368.846 2.184 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2SCCc3sccc32)n[n-]1 ZINC000603154966 568068511 /nfs/dbraw/zinc/06/85/11/568068511.db2.gz NOKVOFXIXMNSGP-KCJUWKMLSA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2SCCc3sccc32)[n-]1 ZINC000603154966 568068512 /nfs/dbraw/zinc/06/85/12/568068512.db2.gz NOKVOFXIXMNSGP-KCJUWKMLSA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2SCCc3sccc32)n1 ZINC000603154966 568068513 /nfs/dbraw/zinc/06/85/13/568068513.db2.gz NOKVOFXIXMNSGP-KCJUWKMLSA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@]23CCc2ccccc23)n[n-]1 ZINC000603155595 568068595 /nfs/dbraw/zinc/06/85/95/568068595.db2.gz OLOYUODSSPFTMV-SZEPBZDZSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@]23CCc2ccccc23)[n-]1 ZINC000603155595 568068596 /nfs/dbraw/zinc/06/85/96/568068596.db2.gz OLOYUODSSPFTMV-SZEPBZDZSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@]23CCc2ccccc23)n1 ZINC000603155595 568068597 /nfs/dbraw/zinc/06/85/97/568068597.db2.gz OLOYUODSSPFTMV-SZEPBZDZSA-N -1 1 354.410 2.063 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(F)c(C)c1 ZINC000603310716 568084738 /nfs/dbraw/zinc/08/47/38/568084738.db2.gz PXFCNQPARUJKFM-TZMCWYRMSA-N -1 1 365.373 2.313 20 0 FEADMM CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000672389497 568184505 /nfs/dbraw/zinc/18/45/05/568184505.db2.gz SEAAYXMKIDUYPD-NSHDSACASA-N -1 1 351.394 2.253 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000563122229 568223243 /nfs/dbraw/zinc/22/32/43/568223243.db2.gz APFDYQIKRHNHGI-GDBMZVCRSA-N -1 1 350.484 2.246 20 0 FEADMM C[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1ccc(F)c(Br)c1 ZINC000643251798 568345199 /nfs/dbraw/zinc/34/51/99/568345199.db2.gz YWNIRWNWIAFZBJ-QMMMGPOBSA-N -1 1 368.210 2.400 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C1=COCCO1 ZINC000738111789 598834900 /nfs/dbraw/zinc/83/49/00/598834900.db2.gz KWDLGDBFYYJMGW-UHFFFAOYSA-N -1 1 369.406 2.100 20 0 FEADMM CN(Cc1ccc2c(c1)OCO2)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736820547 598934840 /nfs/dbraw/zinc/93/48/40/598934840.db2.gz OZOYZYXGZPFHQK-UHFFFAOYSA-N -1 1 361.365 2.175 20 0 FEADMM CN(Cc1ccc2c(c1)OCO2)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736820547 598934842 /nfs/dbraw/zinc/93/48/42/598934842.db2.gz OZOYZYXGZPFHQK-UHFFFAOYSA-N -1 1 361.365 2.175 20 0 FEADMM COc1ccc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737110923 598937203 /nfs/dbraw/zinc/93/72/03/598937203.db2.gz DXWMEDAAFROARV-UHFFFAOYSA-N -1 1 363.381 2.309 20 0 FEADMM COc1ccc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737110923 598937204 /nfs/dbraw/zinc/93/72/04/598937204.db2.gz DXWMEDAAFROARV-UHFFFAOYSA-N -1 1 363.381 2.309 20 0 FEADMM c1ccc(NC[C@@H]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)nc1 ZINC000738434604 598964052 /nfs/dbraw/zinc/96/40/52/598964052.db2.gz FPKYQABKGMUHMM-ZDUSSCGKSA-N -1 1 373.424 2.143 20 0 FEADMM c1ccc(NC[C@@H]2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)nc1 ZINC000738434604 598964053 /nfs/dbraw/zinc/96/40/53/598964053.db2.gz FPKYQABKGMUHMM-ZDUSSCGKSA-N -1 1 373.424 2.143 20 0 FEADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)cc1Cl ZINC000737054900 598981532 /nfs/dbraw/zinc/98/15/32/598981532.db2.gz ZSPVLVRNUADGDK-UHFFFAOYSA-N -1 1 360.761 2.185 20 0 FEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)cc1Cl ZINC000737054900 598981533 /nfs/dbraw/zinc/98/15/33/598981533.db2.gz ZSPVLVRNUADGDK-UHFFFAOYSA-N -1 1 360.761 2.185 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738000850 598983930 /nfs/dbraw/zinc/98/39/30/598983930.db2.gz HXHJOLUOFZEDIL-QGZVFWFLSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738000850 598983932 /nfs/dbraw/zinc/98/39/32/598983932.db2.gz HXHJOLUOFZEDIL-QGZVFWFLSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738035475 598985557 /nfs/dbraw/zinc/98/55/57/598985557.db2.gz LIFNUNFKJLPVMN-LBPRGKRZSA-N -1 1 356.386 2.368 20 0 FEADMM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738035475 598985559 /nfs/dbraw/zinc/98/55/59/598985559.db2.gz LIFNUNFKJLPVMN-LBPRGKRZSA-N -1 1 356.386 2.368 20 0 FEADMM O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244864 598987153 /nfs/dbraw/zinc/98/71/53/598987153.db2.gz LJJYBMOTIGKLDV-UHFFFAOYSA-N -1 1 371.307 2.364 20 0 FEADMM O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244864 598987155 /nfs/dbraw/zinc/98/71/55/598987155.db2.gz LJJYBMOTIGKLDV-UHFFFAOYSA-N -1 1 371.307 2.364 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737113804 598989819 /nfs/dbraw/zinc/98/98/19/598989819.db2.gz GOSYPUCJGXAQKA-HNNXBMFYSA-N -1 1 350.382 2.078 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737113804 598989820 /nfs/dbraw/zinc/98/98/20/598989820.db2.gz GOSYPUCJGXAQKA-HNNXBMFYSA-N -1 1 350.382 2.078 20 0 FEADMM O=C(NCCCCOCCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738052803 598994722 /nfs/dbraw/zinc/99/47/22/598994722.db2.gz DIHCYIVQWVTCGJ-UHFFFAOYSA-N -1 1 366.425 2.031 20 0 FEADMM O=C(NCCCCOCCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738052803 598994723 /nfs/dbraw/zinc/99/47/23/598994723.db2.gz DIHCYIVQWVTCGJ-UHFFFAOYSA-N -1 1 366.425 2.031 20 0 FEADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736327280 598995236 /nfs/dbraw/zinc/99/52/36/598995236.db2.gz QCQKEIWVOLBMPO-LLVKDONJSA-N -1 1 365.397 2.042 20 0 FEADMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736327280 598995237 /nfs/dbraw/zinc/99/52/37/598995237.db2.gz QCQKEIWVOLBMPO-LLVKDONJSA-N -1 1 365.397 2.042 20 0 FEADMM c1cnc2c(c1)cccc2Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000738445677 599010703 /nfs/dbraw/zinc/01/07/03/599010703.db2.gz MJHMWYGWHHGTFJ-UHFFFAOYSA-N -1 1 356.349 2.451 20 0 FEADMM c1cnc2c(c1)cccc2Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000738445677 599010705 /nfs/dbraw/zinc/01/07/05/599010705.db2.gz MJHMWYGWHHGTFJ-UHFFFAOYSA-N -1 1 356.349 2.451 20 0 FEADMM CCc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736696227 599014545 /nfs/dbraw/zinc/01/45/45/599014545.db2.gz YCTSWJYNVNXFFU-UHFFFAOYSA-N -1 1 370.438 2.182 20 0 FEADMM CN(Cc1ccccc1Br)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828705 599019367 /nfs/dbraw/zinc/01/93/67/599019367.db2.gz QUZGAFSYWJLYRK-UHFFFAOYSA-N -1 1 373.214 2.296 20 0 FEADMM CN(Cc1ccccc1Br)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828705 599019369 /nfs/dbraw/zinc/01/93/69/599019369.db2.gz QUZGAFSYWJLYRK-UHFFFAOYSA-N -1 1 373.214 2.296 20 0 FEADMM CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735664542 599023332 /nfs/dbraw/zinc/02/33/32/599023332.db2.gz KSBLHFMQNUBTMR-ZDUSSCGKSA-N -1 1 366.429 2.021 20 0 FEADMM CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735664542 599023335 /nfs/dbraw/zinc/02/33/35/599023335.db2.gz KSBLHFMQNUBTMR-ZDUSSCGKSA-N -1 1 366.429 2.021 20 0 FEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2 ZINC000736166039 599026881 /nfs/dbraw/zinc/02/68/81/599026881.db2.gz XVNBZDDWOWBNJV-MRVPVSSYSA-N -1 1 355.379 2.341 20 0 FEADMM CCC1(C)CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820951197 599341944 /nfs/dbraw/zinc/34/19/44/599341944.db2.gz WEBPYKYCILAEOJ-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM CCC1(C)CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820951197 599341947 /nfs/dbraw/zinc/34/19/47/599341947.db2.gz WEBPYKYCILAEOJ-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM Cc1ccc2c(COC(=O)c3ccc(-c4nnn[n-]4)nc3)cc(=O)oc2c1 ZINC000737371337 599137077 /nfs/dbraw/zinc/13/70/77/599137077.db2.gz CABAQWSANQTJES-UHFFFAOYSA-N -1 1 363.333 2.034 20 0 FEADMM Cc1ccc2c(COC(=O)c3ccc(-c4nn[n-]n4)nc3)cc(=O)oc2c1 ZINC000737371337 599137078 /nfs/dbraw/zinc/13/70/78/599137078.db2.gz CABAQWSANQTJES-UHFFFAOYSA-N -1 1 363.333 2.034 20 0 FEADMM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737242168 599137116 /nfs/dbraw/zinc/13/71/16/599137116.db2.gz VPMUODAHLMFGHQ-UHFFFAOYSA-N -1 1 351.366 2.227 20 0 FEADMM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737242168 599137118 /nfs/dbraw/zinc/13/71/18/599137118.db2.gz VPMUODAHLMFGHQ-UHFFFAOYSA-N -1 1 351.366 2.227 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737264262 599141567 /nfs/dbraw/zinc/14/15/67/599141567.db2.gz OWJQZTXZRGGQNB-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737264262 599141568 /nfs/dbraw/zinc/14/15/68/599141568.db2.gz OWJQZTXZRGGQNB-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000818521996 597087448 /nfs/dbraw/zinc/08/74/48/597087448.db2.gz GLCHSQWOADAQLH-KGLIPLIRSA-N -1 1 362.426 2.295 20 0 FEADMM Cc1cc(NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)ccc1C(=O)[O-] ZINC000821033978 597473854 /nfs/dbraw/zinc/47/38/54/597473854.db2.gz IRPDFZRYMJEFBE-UHFFFAOYSA-N -1 1 370.409 2.498 20 0 FEADMM CCn1nnnc1-c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821568190 607317724 /nfs/dbraw/zinc/31/77/24/607317724.db2.gz LCFNBKSOGPEERY-UHFFFAOYSA-N -1 1 353.415 2.214 20 0 FEADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807706489 674424640 /nfs/dbraw/zinc/42/46/40/674424640.db2.gz WKDLYMJDOTXWDG-JQPUBBMISA-N -1 1 350.381 2.104 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)O2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707785 674424897 /nfs/dbraw/zinc/42/48/97/674424897.db2.gz BGADFZVLBXAVGP-BJDJZHNGSA-N -1 1 350.381 2.248 20 0 FEADMM CCC[C@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])c2)CCN1CCOC ZINC000820311075 598084085 /nfs/dbraw/zinc/08/40/85/598084085.db2.gz NEYNTKIWCLJHOA-KRWDZBQOSA-N -1 1 363.458 2.278 20 0 FEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000821640580 607327294 /nfs/dbraw/zinc/32/72/94/607327294.db2.gz LDWKXNJRYMORRE-SECBINFHSA-N -1 1 364.818 2.345 20 0 FEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000821640580 607327295 /nfs/dbraw/zinc/32/72/95/607327295.db2.gz LDWKXNJRYMORRE-SECBINFHSA-N -1 1 364.818 2.345 20 0 FEADMM Cc1cccc2c1CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000737411243 598252390 /nfs/dbraw/zinc/25/23/90/598252390.db2.gz XNOMXKJKZYUCJC-UHFFFAOYSA-N -1 1 373.413 2.061 20 0 FEADMM O=S(=O)(N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328516 598253184 /nfs/dbraw/zinc/25/31/84/598253184.db2.gz GPWAAPDZDGECGR-INIZCTEOSA-N -1 1 370.438 2.081 20 0 FEADMM O=S(=O)(N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328516 598253187 /nfs/dbraw/zinc/25/31/87/598253187.db2.gz GPWAAPDZDGECGR-INIZCTEOSA-N -1 1 370.438 2.081 20 0 FEADMM CCc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC000736676270 598259159 /nfs/dbraw/zinc/25/91/59/598259159.db2.gz DAJFGKZMTGBWMZ-UHFFFAOYSA-N -1 1 365.802 2.245 20 0 FEADMM CCc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC000736676270 598259161 /nfs/dbraw/zinc/25/91/61/598259161.db2.gz DAJFGKZMTGBWMZ-UHFFFAOYSA-N -1 1 365.802 2.245 20 0 FEADMM CN(Cc1ccc(OC(F)(F)F)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736819893 598342531 /nfs/dbraw/zinc/34/25/31/598342531.db2.gz RHTHTOKKADWMDO-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CN(Cc1ccc(OC(F)(F)F)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736819893 598342533 /nfs/dbraw/zinc/34/25/33/598342533.db2.gz RHTHTOKKADWMDO-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154535 607351936 /nfs/dbraw/zinc/35/19/36/607351936.db2.gz FMVUPKRXDXAHAT-JTQLQIEISA-N -1 1 365.484 2.103 20 0 FEADMM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154535 607351938 /nfs/dbraw/zinc/35/19/38/607351938.db2.gz FMVUPKRXDXAHAT-JTQLQIEISA-N -1 1 365.484 2.103 20 0 FEADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC000736793410 598349906 /nfs/dbraw/zinc/34/99/06/598349906.db2.gz WVRSZGMWHCKDHW-GDBMZVCRSA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC000736793410 598349910 /nfs/dbraw/zinc/34/99/10/598349910.db2.gz WVRSZGMWHCKDHW-GDBMZVCRSA-N -1 1 351.414 2.261 20 0 FEADMM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736163495 598422959 /nfs/dbraw/zinc/42/29/59/598422959.db2.gz IMCGSUUJGQDKRM-ZCFIWIBFSA-N -1 1 368.184 2.060 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000738298199 598578023 /nfs/dbraw/zinc/57/80/23/598578023.db2.gz XGEXXWUKWWEYQM-ZDUSSCGKSA-N -1 1 369.816 2.128 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1Cc1ccccc1 ZINC000738298199 598578024 /nfs/dbraw/zinc/57/80/24/598578024.db2.gz XGEXXWUKWWEYQM-ZDUSSCGKSA-N -1 1 369.816 2.128 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000738341639 598595986 /nfs/dbraw/zinc/59/59/86/598595986.db2.gz HQQSRWUOAIKTLL-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000736435746 598614474 /nfs/dbraw/zinc/61/44/74/598614474.db2.gz LLBZJGIFXRFZCE-AWEZNQCLSA-N -1 1 364.475 2.289 20 0 FEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000736435746 598614475 /nfs/dbraw/zinc/61/44/75/598614475.db2.gz LLBZJGIFXRFZCE-AWEZNQCLSA-N -1 1 364.475 2.289 20 0 FEADMM CCc1nn(Cc2cc(Cl)ccc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705926 598642950 /nfs/dbraw/zinc/64/29/50/598642950.db2.gz CRPUSTIXINMSIR-UHFFFAOYSA-N -1 1 374.832 2.259 20 0 FEADMM Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737377811 598663844 /nfs/dbraw/zinc/66/38/44/598663844.db2.gz PSFBRRLNKVBWFV-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM C[C@@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc2ccccc2c1 ZINC000736112478 598677042 /nfs/dbraw/zinc/67/70/42/598677042.db2.gz SIXRYVNODVMVPX-CYBMUJFWSA-N -1 1 374.404 2.059 20 0 FEADMM CC[C@H](C)c1ccc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000736330060 598677106 /nfs/dbraw/zinc/67/71/06/598677106.db2.gz WHBGPMQCFGJYJG-LBPRGKRZSA-N -1 1 352.398 2.181 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000738370266 598677626 /nfs/dbraw/zinc/67/76/26/598677626.db2.gz AFCQSRZHGVVKME-UHFFFAOYSA-N -1 1 354.757 2.385 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737340876 598687203 /nfs/dbraw/zinc/68/72/03/598687203.db2.gz HLYCMCDRZIDHGN-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM CCC(CC)N(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736345078 598691126 /nfs/dbraw/zinc/69/11/26/598691126.db2.gz DWBOOAJXQGKFIY-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(-c3ccccc3)no2)c2ccccc21 ZINC000738370344 598720340 /nfs/dbraw/zinc/72/03/40/598720340.db2.gz DDHGKAXORPKNBJ-UHFFFAOYSA-N -1 1 371.360 2.280 20 0 FEADMM CC(C)N(CCCNc1nccnc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000735860851 598755481 /nfs/dbraw/zinc/75/54/81/598755481.db2.gz PPWKKLRZJGPZRE-UHFFFAOYSA-N -1 1 362.438 2.104 20 0 FEADMM CC(C)N(CCCNc1nccnc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000735860851 598755483 /nfs/dbraw/zinc/75/54/83/598755483.db2.gz PPWKKLRZJGPZRE-UHFFFAOYSA-N -1 1 362.438 2.104 20 0 FEADMM O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1cccc2ncccc21 ZINC000808121863 674442471 /nfs/dbraw/zinc/44/24/71/674442471.db2.gz WDCFGCDMVJQJIF-UHFFFAOYSA-N -1 1 356.403 2.253 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1O ZINC000822259271 599304955 /nfs/dbraw/zinc/30/49/55/599304955.db2.gz RQTJPGBMTICAAT-UHFFFAOYSA-N -1 1 365.802 2.335 20 0 FEADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736228975 599332142 /nfs/dbraw/zinc/33/21/42/599332142.db2.gz PFMLUHZZZLGYGQ-NXEZZACHSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@H](c1cccs1)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820570706 599337116 /nfs/dbraw/zinc/33/71/16/599337116.db2.gz PJRWQEIOJNHNMS-SECBINFHSA-N -1 1 367.431 2.449 20 0 FEADMM C[C@H](c1cccs1)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820570706 599337119 /nfs/dbraw/zinc/33/71/19/599337119.db2.gz PJRWQEIOJNHNMS-SECBINFHSA-N -1 1 367.431 2.449 20 0 FEADMM Cc1cccc2c1CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000822341502 599343240 /nfs/dbraw/zinc/34/32/40/599343240.db2.gz YUTKLJCALIPANF-UHFFFAOYSA-N -1 1 373.413 2.061 20 0 FEADMM Cc1cccc2c1CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000822341502 599343241 /nfs/dbraw/zinc/34/32/41/599343241.db2.gz YUTKLJCALIPANF-UHFFFAOYSA-N -1 1 373.413 2.061 20 0 FEADMM C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820703144 599344633 /nfs/dbraw/zinc/34/46/33/599344633.db2.gz DBEFABXOUXRTPH-SNVBAGLBSA-N -1 1 355.851 2.473 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000820710368 599346303 /nfs/dbraw/zinc/34/63/03/599346303.db2.gz PWTJVIVHPPCPBJ-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC000820710368 599346306 /nfs/dbraw/zinc/34/63/06/599346306.db2.gz PWTJVIVHPPCPBJ-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823376066 599366103 /nfs/dbraw/zinc/36/61/03/599366103.db2.gz WDDVCAUQDVEWLU-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823376066 599366106 /nfs/dbraw/zinc/36/61/06/599366106.db2.gz WDDVCAUQDVEWLU-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM CC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820949893 599371249 /nfs/dbraw/zinc/37/12/49/599371249.db2.gz HFFMCBWHFPZEDV-HNNXBMFYSA-N -1 1 353.423 2.207 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000820768234 599373690 /nfs/dbraw/zinc/37/36/90/599373690.db2.gz LTYIKFDMVDNVEQ-ZBEGNZNMSA-N -1 1 373.413 2.388 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(OCC(F)(F)F)cc1 ZINC000823657583 599385968 /nfs/dbraw/zinc/38/59/68/599385968.db2.gz RWJONHKYKGGCPP-UHFFFAOYSA-N -1 1 351.288 2.018 20 0 FEADMM c1cc(-c2nnn[n-]2)oc1CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000823772008 599410421 /nfs/dbraw/zinc/41/04/21/599410421.db2.gz GZRQXCKRWXPVNE-UHFFFAOYSA-N -1 1 361.409 2.424 20 0 FEADMM c1cc(-c2nn[n-]n2)oc1CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000823772008 599410422 /nfs/dbraw/zinc/41/04/22/599410422.db2.gz GZRQXCKRWXPVNE-UHFFFAOYSA-N -1 1 361.409 2.424 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627108 599436034 /nfs/dbraw/zinc/43/60/34/599436034.db2.gz MVZULQFECLIFBK-LBPRGKRZSA-N -1 1 359.434 2.463 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627108 599436036 /nfs/dbraw/zinc/43/60/36/599436036.db2.gz MVZULQFECLIFBK-LBPRGKRZSA-N -1 1 359.434 2.463 20 0 FEADMM CN(CCCNC(=O)OC(C)(C)C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736799207 599442783 /nfs/dbraw/zinc/44/27/83/599442783.db2.gz AAYQHWNHSGSYJO-UHFFFAOYSA-N -1 1 373.870 2.328 20 0 FEADMM CN(CCCNC(=O)OC(C)(C)C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736799207 599442786 /nfs/dbraw/zinc/44/27/86/599442786.db2.gz AAYQHWNHSGSYJO-UHFFFAOYSA-N -1 1 373.870 2.328 20 0 FEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736235910 599468597 /nfs/dbraw/zinc/46/85/97/599468597.db2.gz PVPFTCHPLQLTDJ-BXUZGUMPSA-N -1 1 352.373 2.419 20 0 FEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736235910 599468598 /nfs/dbraw/zinc/46/85/98/599468598.db2.gz PVPFTCHPLQLTDJ-BXUZGUMPSA-N -1 1 352.373 2.419 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000737200519 599655650 /nfs/dbraw/zinc/65/56/50/599655650.db2.gz NKYPZGBVBOJRTC-PHIMTYICSA-N -1 1 358.446 2.306 20 0 FEADMM Cc1ccc(N2CC[C@@H](OC(=O)c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241468 599658959 /nfs/dbraw/zinc/65/89/59/599658959.db2.gz XNTVEZNNXRGBCC-CYBMUJFWSA-N -1 1 369.406 2.199 20 0 FEADMM O=C1C[C@@H](c2cccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)c2)CN1 ZINC000823519208 607388302 /nfs/dbraw/zinc/38/83/02/607388302.db2.gz DOLASPFHSRKNTK-GFCCVEGCSA-N -1 1 372.392 2.157 20 0 FEADMM O=C1C[C@@H](c2cccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)c2)CN1 ZINC000823519208 607388304 /nfs/dbraw/zinc/38/83/04/607388304.db2.gz DOLASPFHSRKNTK-GFCCVEGCSA-N -1 1 372.392 2.157 20 0 FEADMM CN1CCN(C(C)(C)CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000737515110 599716053 /nfs/dbraw/zinc/71/60/53/599716053.db2.gz GWKPYRKQMSFQTK-UHFFFAOYSA-N -1 1 367.425 2.063 20 0 FEADMM CN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000737409815 599719033 /nfs/dbraw/zinc/71/90/33/599719033.db2.gz YSWPISAZHYVEIY-YLJYHZDGSA-N -1 1 371.433 2.370 20 0 FEADMM COc1cccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1F ZINC000632305712 676987112 /nfs/dbraw/zinc/98/71/12/676987112.db2.gz BMZFSZFTVYFILN-RYUDHWBXSA-N -1 1 359.341 2.060 20 0 FEADMM O=C([O-])C[C@H]1CCCCN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000650506477 599754372 /nfs/dbraw/zinc/75/43/72/599754372.db2.gz NJRCMJGUBPHMLY-CYBMUJFWSA-N -1 1 362.455 2.261 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 ZINC000326589814 599780671 /nfs/dbraw/zinc/78/06/71/599780671.db2.gz CQHQISDQEJOUTF-ZDUSSCGKSA-N -1 1 372.874 2.287 20 0 FEADMM CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000544929307 599785595 /nfs/dbraw/zinc/78/55/95/599785595.db2.gz HUJUNPRQBHIWHI-ZDUSSCGKSA-N -1 1 360.501 2.379 20 0 FEADMM O=C([O-])[C@@H](NCc1cn2cccnc2n1)c1ccc(Br)cc1 ZINC000739504669 599789678 /nfs/dbraw/zinc/78/96/78/599789678.db2.gz LQLZMTLFXOANNM-ZDUSSCGKSA-N -1 1 361.199 2.407 20 0 FEADMM C[C@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736686813 599817355 /nfs/dbraw/zinc/81/73/55/599817355.db2.gz IYHXTVQJJNACHV-JTQLQIEISA-N -1 1 371.349 2.278 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)N1CCCC1 ZINC000738121044 599840120 /nfs/dbraw/zinc/84/01/20/599840120.db2.gz PDFRDPFGEPVOLX-NVXWUHKLSA-N -1 1 363.458 2.241 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000609218929 599851994 /nfs/dbraw/zinc/85/19/94/599851994.db2.gz LJDOGFRMGRXGHE-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCCO[C@H](c2ccccc2)C1 ZINC000736204172 599893895 /nfs/dbraw/zinc/89/38/95/599893895.db2.gz HCBYSKOURQLNDB-QAPCUYQASA-N -1 1 360.454 2.162 20 0 FEADMM CN(Cc1ccccc1F)C(=O)CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000737491566 599967084 /nfs/dbraw/zinc/96/70/84/599967084.db2.gz BQHOAAYVLXLISK-SFHVURJKSA-N -1 1 356.397 2.296 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C)n(C)n2)c1-c1nnn[n-]1 ZINC000826231264 607414359 /nfs/dbraw/zinc/41/43/59/607414359.db2.gz DPKRKONBBJQGQU-UHFFFAOYSA-N -1 1 370.442 2.155 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C)n(C)n2)c1-c1nn[n-]n1 ZINC000826231264 607414361 /nfs/dbraw/zinc/41/43/61/607414361.db2.gz DPKRKONBBJQGQU-UHFFFAOYSA-N -1 1 370.442 2.155 20 0 FEADMM Cc1[nH]nc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1Br ZINC000738821461 600072620 /nfs/dbraw/zinc/07/26/20/600072620.db2.gz QLERGEDCTYFLPU-UHFFFAOYSA-N -1 1 350.172 2.335 20 0 FEADMM COC(=O)CCN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)CC(C)C ZINC000737599445 600090730 /nfs/dbraw/zinc/09/07/30/600090730.db2.gz UWBZXLIASPCZFC-UHFFFAOYSA-N -1 1 361.398 2.055 20 0 FEADMM Cc1sc(NC(=O)CN[C@](C)(CO)c2ccccc2)c(C(=O)[O-])c1C ZINC000738399458 600142950 /nfs/dbraw/zinc/14/29/50/600142950.db2.gz RGNRCEPEZVDGJV-GOSISDBHSA-N -1 1 362.451 2.499 20 0 FEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)c1 ZINC000738624491 600289725 /nfs/dbraw/zinc/28/97/25/600289725.db2.gz LYIHTCSNRVIYDQ-AWEZNQCLSA-N -1 1 359.426 2.138 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738120129 600298503 /nfs/dbraw/zinc/29/85/03/600298503.db2.gz LOEDHNPNCGJYCS-DZKIICNBSA-N -1 1 360.454 2.448 20 0 FEADMM CC[C@@H](C)CN(C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000736879451 600324331 /nfs/dbraw/zinc/32/43/31/600324331.db2.gz DJNZUGYGJJRRMM-SECBINFHSA-N -1 1 356.444 2.458 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCN1CCOC ZINC000736939690 600337049 /nfs/dbraw/zinc/33/70/49/600337049.db2.gz QOPZSPFHBBBNEK-CYBMUJFWSA-N -1 1 353.394 2.098 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(C(=O)NC[C@H](c1ccco1)N1CCCC1)CC2 ZINC000739525179 600340453 /nfs/dbraw/zinc/34/04/53/600340453.db2.gz JAGBWXGRCJLYTL-LSDHHAIUSA-N -1 1 361.442 2.313 20 0 FEADMM C[C@H](CN(C)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000736576125 600370093 /nfs/dbraw/zinc/37/00/93/600370093.db2.gz UYTNBZMHOGAXSR-PHDIDXHHSA-N -1 1 354.275 2.362 20 0 FEADMM C[C@H](CN(C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000736571304 600372063 /nfs/dbraw/zinc/37/20/63/600372063.db2.gz JTXAZXPMOVFHGP-CYBMUJFWSA-N -1 1 356.426 2.341 20 0 FEADMM O=C([O-])CCCOc1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000238017536 600498508 /nfs/dbraw/zinc/49/85/08/600498508.db2.gz OAXAICLABKCRPD-UHFFFAOYSA-N -1 1 357.410 2.462 20 0 FEADMM O=C([O-])CCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCCO1 ZINC000739716204 600510743 /nfs/dbraw/zinc/51/07/43/600510743.db2.gz CUAHQAHMJRHLOV-FAKMSMKASA-N -1 1 364.486 2.027 20 0 FEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1c[nH]c2ccccc2c1=O ZINC000737168078 600578494 /nfs/dbraw/zinc/57/84/94/600578494.db2.gz LTGZTNRCDUCRFC-CYBMUJFWSA-N -1 1 360.410 2.118 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000736205434 600643336 /nfs/dbraw/zinc/64/33/36/600643336.db2.gz OTBMDKFPPGDVQC-MAUKXSAKSA-N -1 1 360.454 2.242 20 0 FEADMM CN(C)C(=O)COc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830556400 600740836 /nfs/dbraw/zinc/74/08/36/600740836.db2.gz DRKXQRSJMOOKLL-SFHVURJKSA-N -1 1 360.385 2.208 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1C ZINC000831373554 600818203 /nfs/dbraw/zinc/81/82/03/600818203.db2.gz HWMUHDPDHAWIHZ-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)c1cc(NC(=O)CN2CC[C@H](CC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831268646 600823941 /nfs/dbraw/zinc/82/39/41/600823941.db2.gz CBKVGKOQFRYYJV-CYBMUJFWSA-N -1 1 362.426 2.478 20 0 FEADMM CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000736484561 600843245 /nfs/dbraw/zinc/84/32/45/600843245.db2.gz GOZAMRNHCMGPIL-HIFRSBDPSA-N -1 1 362.426 2.375 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000737685698 600977031 /nfs/dbraw/zinc/97/70/31/600977031.db2.gz NNCQPEKZXUPHBZ-LEWSCRJBSA-N -1 1 360.410 2.086 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CNC1(c2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000828716078 601002929 /nfs/dbraw/zinc/00/29/29/601002929.db2.gz FKQLUORHHBVZEG-GUYCJALGSA-N -1 1 366.433 2.037 20 0 FEADMM Cc1sc(NC(=O)CN2CCN(C)C[C@@H]2C(C)C)c(C(=O)[O-])c1C ZINC000833033458 601011904 /nfs/dbraw/zinc/01/19/04/601011904.db2.gz ARYHOUQGXZNEEV-CYBMUJFWSA-N -1 1 353.488 2.274 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC000827936000 601017601 /nfs/dbraw/zinc/01/76/01/601017601.db2.gz ZBEQGEBVGPMDBL-IUODEOHRSA-N -1 1 354.447 2.237 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000630226504 601090567 /nfs/dbraw/zinc/09/05/67/601090567.db2.gz YKBPFRHOEDQOHB-OAHLLOKOSA-N -1 1 362.470 2.370 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 ZINC000827356169 601090852 /nfs/dbraw/zinc/09/08/52/601090852.db2.gz PZOJUYJAEFJVMX-URWSZGRFSA-N -1 1 365.499 2.461 20 0 FEADMM COc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1OC(C)C ZINC000630226774 601095427 /nfs/dbraw/zinc/09/54/27/601095427.db2.gz ZSKXLUDCAFWDPS-AWEZNQCLSA-N -1 1 364.442 2.103 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000630221759 601099943 /nfs/dbraw/zinc/09/99/43/601099943.db2.gz BWOUTLDZHGDNHK-AWEZNQCLSA-N -1 1 373.478 2.360 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)n[nH]1 ZINC000736300185 601106386 /nfs/dbraw/zinc/10/63/86/601106386.db2.gz XJHNLPWJGRCFSE-ZIAGYGMSSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)[nH]1 ZINC000736300185 601106388 /nfs/dbraw/zinc/10/63/88/601106388.db2.gz XJHNLPWJGRCFSE-ZIAGYGMSSA-N -1 1 362.405 2.441 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000827380735 601106726 /nfs/dbraw/zinc/10/67/26/601106726.db2.gz WOAGJSPAXRFZKM-JTQLQIEISA-N -1 1 359.398 2.017 20 0 FEADMM COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C/C=C(\C)C(=O)[O-] ZINC000831148735 601154244 /nfs/dbraw/zinc/15/42/44/601154244.db2.gz XVIKZHQGTCARGM-LYOQKUPSSA-N -1 1 363.410 2.197 20 0 FEADMM Cc1nc([C@@H]2CN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000832992042 601197068 /nfs/dbraw/zinc/19/70/68/601197068.db2.gz VMYPKPZGXGNMNS-LBPRGKRZSA-N -1 1 365.777 2.070 20 0 FEADMM C[C@H](Sc1ccccc1C(=O)N1CCC(c2nc[nH]n2)CC1)C(=O)[O-] ZINC000827916040 601296363 /nfs/dbraw/zinc/29/63/63/601296363.db2.gz SAOXFHGGXOTOKL-NSHDSACASA-N -1 1 360.439 2.390 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnccc2-n2cccn2)c1C ZINC000832866650 601360583 /nfs/dbraw/zinc/36/05/83/601360583.db2.gz PBIMYBGCSHIFBS-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM CN(CCNC(=O)NCC1(C(=O)[O-])CCCC1)Cc1ccc(F)cc1 ZINC000830785042 601423797 /nfs/dbraw/zinc/42/37/97/601423797.db2.gz FQZVODXACNXFPE-UHFFFAOYSA-N -1 1 351.422 2.202 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829872867 601515939 /nfs/dbraw/zinc/51/59/39/601515939.db2.gz BCSPZUGGUBLXSU-XHVZSJERSA-N -1 1 368.455 2.213 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)ccc1Br ZINC000223831209 601520926 /nfs/dbraw/zinc/52/09/26/601520926.db2.gz VBKHITOHBODULV-PWSUYJOCSA-N -1 1 355.232 2.349 20 0 FEADMM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000833100649 601553016 /nfs/dbraw/zinc/55/30/16/601553016.db2.gz YENMGXXVQCOMPL-AWEZNQCLSA-N -1 1 359.195 2.276 20 0 FEADMM COc1cc(NC(=O)CCN2CC[C@@](F)(C(=O)[O-])C2)c(OC)cc1Cl ZINC000832016609 601554673 /nfs/dbraw/zinc/55/46/73/601554673.db2.gz FTFRBPLOWRFIQX-INIZCTEOSA-N -1 1 374.796 2.184 20 0 FEADMM CCCCC[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000829333599 601747422 /nfs/dbraw/zinc/74/74/22/601747422.db2.gz QMWQQWYTTFHPPO-GOSISDBHSA-N -1 1 361.486 2.197 20 0 FEADMM CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000829522742 601784318 /nfs/dbraw/zinc/78/43/18/601784318.db2.gz HLBDWUKEIBZUAJ-UHFFFAOYSA-N -1 1 366.395 2.091 20 0 FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000830604063 601799963 /nfs/dbraw/zinc/79/99/63/601799963.db2.gz FOPRXHPUQZRLCQ-UHFFFAOYSA-N -1 1 368.499 2.199 20 0 FEADMM C[C@@H]1CN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451848 601816265 /nfs/dbraw/zinc/81/62/65/601816265.db2.gz VLXBKOOMFMEYTQ-QWHDWNGZSA-N -1 1 365.474 2.123 20 0 FEADMM CC(C)[C@H](NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000827091795 601824648 /nfs/dbraw/zinc/82/46/48/601824648.db2.gz FFSBJCIIXPWVSS-GUYCJALGSA-N -1 1 359.382 2.249 20 0 FEADMM O=C([O-])CCC1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000833224064 601825786 /nfs/dbraw/zinc/82/57/86/601825786.db2.gz DRUPRPZSQVWALI-UHFFFAOYSA-N -1 1 374.485 2.332 20 0 FEADMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CCN1C ZINC000828169706 601841677 /nfs/dbraw/zinc/84/16/77/601841677.db2.gz VQHJZTBMYQOQMW-MNOVXSKESA-N -1 1 360.863 2.141 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831457781 601854699 /nfs/dbraw/zinc/85/46/99/601854699.db2.gz XLNXBZUHXFJUGQ-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM COC(=O)c1sc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1C ZINC000831480201 601856749 /nfs/dbraw/zinc/85/67/49/601856749.db2.gz YTRGLHQOMABCMU-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000831961839 601870927 /nfs/dbraw/zinc/87/09/27/601870927.db2.gz NLBNGAHYMJJNJM-SJCJKPOMSA-N -1 1 366.458 2.278 20 0 FEADMM CCc1ccc(CN(C)C(=O)CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000830244866 601888741 /nfs/dbraw/zinc/88/87/41/601888741.db2.gz IVJQIWOYDPIFQT-MRXNPFEDSA-N -1 1 350.484 2.100 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](O)CC)c(F)cc1Cl ZINC000809396171 674492959 /nfs/dbraw/zinc/49/29/59/674492959.db2.gz XKRKQWADANWRBJ-SECBINFHSA-N -1 1 367.826 2.095 20 0 FEADMM C[C@H](CNC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000827465784 601920186 /nfs/dbraw/zinc/92/01/86/601920186.db2.gz DIJZHYGTQRJHPZ-YCPHGPKFSA-N -1 1 350.484 2.187 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCOC)c(F)cc1Cl ZINC000809393065 674493019 /nfs/dbraw/zinc/49/30/19/674493019.db2.gz QFNZVIIKXIHIHW-SECBINFHSA-N -1 1 367.826 2.359 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738630108 601943614 /nfs/dbraw/zinc/94/36/14/601943614.db2.gz JMJKROKOWCYAFX-GJZGRUSLSA-N -1 1 360.458 2.203 20 0 FEADMM c1c(CSCc2ccnc(-c3nnn[n-]3)c2)nnn1-c1ccccc1 ZINC000826519846 607534990 /nfs/dbraw/zinc/53/49/90/607534990.db2.gz QRPHJJNWGPNWPS-UHFFFAOYSA-N -1 1 350.411 2.276 20 0 FEADMM c1c(CSCc2ccnc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000826519846 607534992 /nfs/dbraw/zinc/53/49/92/607534992.db2.gz QRPHJJNWGPNWPS-UHFFFAOYSA-N -1 1 350.411 2.276 20 0 FEADMM CC(C)[C@@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)c1ccc(F)cc1 ZINC000738786646 601947064 /nfs/dbraw/zinc/94/70/64/601947064.db2.gz BNKYJSPIULJSBX-CXAGYDPISA-N -1 1 351.422 2.229 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739277711 601947288 /nfs/dbraw/zinc/94/72/88/601947288.db2.gz FURLEMXEHROVKR-GXTWGEPZSA-N -1 1 351.472 2.173 20 0 FEADMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c(F)c1 ZINC000547545121 601985340 /nfs/dbraw/zinc/98/53/40/601985340.db2.gz CZPGOIFZHOGDNJ-CYBMUJFWSA-N -1 1 370.308 2.080 20 0 FEADMM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c1Br ZINC000740203272 602007166 /nfs/dbraw/zinc/00/71/66/602007166.db2.gz JFRPTNHGSZGTGB-IONNQARKSA-N -1 1 359.224 2.131 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000827380379 602046280 /nfs/dbraw/zinc/04/62/80/602046280.db2.gz SPCMUMCXYBUJHT-OAHLLOKOSA-N -1 1 353.422 2.370 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1ccsc1 ZINC000739604793 602086492 /nfs/dbraw/zinc/08/64/92/602086492.db2.gz AGNYSDAYUOQSGT-GXTWGEPZSA-N -1 1 354.476 2.040 20 0 FEADMM C[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915824 602097205 /nfs/dbraw/zinc/09/72/05/602097205.db2.gz IMZUFOYTGFXUEK-JKSUJKDBSA-N -1 1 374.485 2.122 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739608620 602105545 /nfs/dbraw/zinc/10/55/45/602105545.db2.gz PTPDGORXLRMKME-XJKSGUPXSA-N -1 1 366.437 2.118 20 0 FEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829780061 602136062 /nfs/dbraw/zinc/13/60/62/602136062.db2.gz AYMGHVXNBQCCKF-UONOGXRCSA-N -1 1 365.449 2.256 20 0 FEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829780064 602136331 /nfs/dbraw/zinc/13/63/31/602136331.db2.gz AYMGHVXNBQCCKF-ZIAGYGMSSA-N -1 1 365.449 2.256 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739239098 602137863 /nfs/dbraw/zinc/13/78/63/602137863.db2.gz RWBIRVOLBFHMFS-YOEHRIQHSA-N -1 1 362.474 2.055 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccco1 ZINC000739405308 602144576 /nfs/dbraw/zinc/14/45/76/602144576.db2.gz BFQUDCXZEZRIQP-CABCVRRESA-N -1 1 366.462 2.352 20 0 FEADMM CCN(Cc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1)C(C)=O ZINC000825439901 607548548 /nfs/dbraw/zinc/54/85/48/607548548.db2.gz SOVHVNVGIAFTOD-UHFFFAOYSA-N -1 1 351.414 2.242 20 0 FEADMM CCN(Cc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1)C(C)=O ZINC000825439901 607548549 /nfs/dbraw/zinc/54/85/49/607548549.db2.gz SOVHVNVGIAFTOD-UHFFFAOYSA-N -1 1 351.414 2.242 20 0 FEADMM COc1cc(OC)cc([C@@H](NCc2cnn(CC(F)(F)F)c2)C(=O)[O-])c1 ZINC000832058110 602178377 /nfs/dbraw/zinc/17/83/77/602178377.db2.gz WETCLHBWIUOYQF-CQSZACIVSA-N -1 1 373.331 2.378 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccccc2)sc1C ZINC000558445397 674496517 /nfs/dbraw/zinc/49/65/17/674496517.db2.gz XQYAZSLUTRHSDY-GOEBONIOSA-N -1 1 352.481 2.204 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)N2CCCC2)o1 ZINC000740116762 602186126 /nfs/dbraw/zinc/18/61/26/602186126.db2.gz GAHMOIDFGDMPJV-HUUCEWRRSA-N -1 1 364.446 2.024 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000827375106 602190981 /nfs/dbraw/zinc/19/09/81/602190981.db2.gz QDMFPMALCMYRMD-SNVBAGLBSA-N -1 1 362.323 2.466 20 0 FEADMM O=C([O-])N1CCC(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000740498597 602257485 /nfs/dbraw/zinc/25/74/85/602257485.db2.gz FWJUNBSPLVUKLL-UHFFFAOYSA-N -1 1 365.861 2.488 20 0 FEADMM O=C([O-])N1CCC(CN2CCN(C(=O)CCC3CCCC3)CC2)CC1 ZINC000740497836 602257952 /nfs/dbraw/zinc/25/79/52/602257952.db2.gz BJKCAWNQQHINCC-UHFFFAOYSA-N -1 1 351.491 2.491 20 0 FEADMM Cn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])cs3)cc2[nH]c1=S ZINC000833040013 602296956 /nfs/dbraw/zinc/29/69/56/602296956.db2.gz ZSXAEPJCZVXOLL-UHFFFAOYSA-N -1 1 361.404 2.234 20 0 FEADMM CCCN1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)CC1 ZINC000739366072 602300565 /nfs/dbraw/zinc/30/05/65/602300565.db2.gz UIDCXXXEROUGJY-UHFFFAOYSA-N -1 1 359.470 2.252 20 0 FEADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000826001206 602340463 /nfs/dbraw/zinc/34/04/63/602340463.db2.gz UBRDLEBODIYDON-LLVKDONJSA-N -1 1 358.360 2.474 20 0 FEADMM CCOc1ccc(C[C@H](CNC(=O)CN2CCC(C)CC2)C(=O)[O-])cc1 ZINC000830071408 602346361 /nfs/dbraw/zinc/34/63/61/602346361.db2.gz VVPZTFLMIAVKRE-QGZVFWFLSA-N -1 1 362.470 2.177 20 0 FEADMM C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738628210 602384487 /nfs/dbraw/zinc/38/44/87/602384487.db2.gz JMQSXTNUVLPJFK-CYBMUJFWSA-N -1 1 351.422 2.152 20 0 FEADMM CN(CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000737393668 602459406 /nfs/dbraw/zinc/45/94/06/602459406.db2.gz FDORVLXDUJHSHU-UHFFFAOYSA-N -1 1 353.850 2.278 20 0 FEADMM CN(C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)C1)C(=O)[O-] ZINC000739660722 602541340 /nfs/dbraw/zinc/54/13/40/602541340.db2.gz PNKDUFHOSXONHT-YJBOKZPZSA-N -1 1 359.470 2.454 20 0 FEADMM CCC(CC)(CNC(=O)[O-])NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000739254063 602565065 /nfs/dbraw/zinc/56/50/65/602565065.db2.gz LDOLQVVIQYNTFW-UHFFFAOYSA-N -1 1 354.350 2.209 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)CN(C)C(=O)[O-])CC1 ZINC000739455560 602569391 /nfs/dbraw/zinc/56/93/91/602569391.db2.gz KTAFZEAYZGENEB-UHFFFAOYSA-N -1 1 354.838 2.030 20 0 FEADMM O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487956 607574452 /nfs/dbraw/zinc/57/44/52/607574452.db2.gz FFJOLEFYGPHPBF-OAHLLOKOSA-N -1 1 373.413 2.362 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000738825320 602602676 /nfs/dbraw/zinc/60/26/76/602602676.db2.gz OSOPKUTYFDVGCK-OAHLLOKOSA-N -1 1 350.419 2.255 20 0 FEADMM COCCc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826163057 607575638 /nfs/dbraw/zinc/57/56/38/607575638.db2.gz DYRMTGRAVBDSDB-UHFFFAOYSA-N -1 1 374.422 2.132 20 0 FEADMM COc1cc(C)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826177919 607575695 /nfs/dbraw/zinc/57/56/95/607575695.db2.gz ATWIPIPHDZLTSS-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM COc1cc(C)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826177919 607575697 /nfs/dbraw/zinc/57/56/97/607575697.db2.gz ATWIPIPHDZLTSS-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493666 607576035 /nfs/dbraw/zinc/57/60/35/607576035.db2.gz WOYOVRBWTGCUTL-UHFFFAOYSA-N -1 1 360.370 2.262 20 0 FEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493666 607576037 /nfs/dbraw/zinc/57/60/37/607576037.db2.gz WOYOVRBWTGCUTL-UHFFFAOYSA-N -1 1 360.370 2.262 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000826283715 607579029 /nfs/dbraw/zinc/57/90/29/607579029.db2.gz YHLMVHISQFUTQK-SECBINFHSA-N -1 1 367.818 2.461 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000826283715 607579030 /nfs/dbraw/zinc/57/90/30/607579030.db2.gz YHLMVHISQFUTQK-SECBINFHSA-N -1 1 367.818 2.461 20 0 FEADMM CC(C)c1noc([C@@H](C)N2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)n1 ZINC000738886287 602706553 /nfs/dbraw/zinc/70/65/53/602706553.db2.gz USIMCQFXSPQWMT-HUUCEWRRSA-N -1 1 365.478 2.262 20 0 FEADMM Cc1[nH]ncc1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000740033918 602710767 /nfs/dbraw/zinc/71/07/67/602710767.db2.gz STDBJNMQTWWGQE-LBPRGKRZSA-N -1 1 372.381 2.270 20 0 FEADMM O=S(=O)(NCC1(c2ccccc2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490562 607582776 /nfs/dbraw/zinc/58/27/76/607582776.db2.gz ZFPKFFDBENVPQD-UHFFFAOYSA-N -1 1 373.413 2.016 20 0 FEADMM O=S(=O)(NCC1(c2ccccc2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490562 607582777 /nfs/dbraw/zinc/58/27/77/607582777.db2.gz ZFPKFFDBENVPQD-UHFFFAOYSA-N -1 1 373.413 2.016 20 0 FEADMM C[C@H]1CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@@H]1NC(=O)[O-] ZINC000739170555 602761471 /nfs/dbraw/zinc/76/14/71/602761471.db2.gz GQCTZYLWBZTNEP-BBRMVZONSA-N -1 1 370.453 2.031 20 0 FEADMM CN(C)Cc1cc(CNC(=O)CC2CCN(C(=O)[O-])CC2)ccc1F ZINC000739610599 602762299 /nfs/dbraw/zinc/76/22/99/602762299.db2.gz WSOUKPVIBGBCTK-UHFFFAOYSA-N -1 1 351.422 2.284 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@@H](C)N1CCc2ccccc2C1)NC(=O)[O-] ZINC000738784401 602794962 /nfs/dbraw/zinc/79/49/62/602794962.db2.gz GQEFRUVDYRJTND-PBHICJAKSA-N -1 1 362.474 2.025 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)NC(=O)[O-] ZINC000738785799 602830253 /nfs/dbraw/zinc/83/02/53/602830253.db2.gz JMJZCKJVWJPUAV-CABCVRRESA-N -1 1 354.426 2.020 20 0 FEADMM CCCN(CC(=O)Nc1cc(C)nn1C(C)(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353874 602863692 /nfs/dbraw/zinc/86/36/92/602863692.db2.gz MMPOWQKWEWMAMA-AWEZNQCLSA-N -1 1 365.478 2.349 20 0 FEADMM CCc1c(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])[nH]nc1-c1ccncc1 ZINC000739538410 602885087 /nfs/dbraw/zinc/88/50/87/602885087.db2.gz DSWQGSBAQXOWRU-CYBMUJFWSA-N -1 1 373.413 2.132 20 0 FEADMM CCc1c(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])[nH]nc1-c1ccncc1 ZINC000739538412 602885404 /nfs/dbraw/zinc/88/54/04/602885404.db2.gz DSWQGSBAQXOWRU-ZDUSSCGKSA-N -1 1 373.413 2.132 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)CCOCC(F)(F)F)c1nc(C2CC2)no1 ZINC000809814298 674511729 /nfs/dbraw/zinc/51/17/29/674511729.db2.gz HHHKDIJKERRPHQ-SNVBAGLBSA-N -1 1 371.381 2.142 20 0 FEADMM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824928223 607595285 /nfs/dbraw/zinc/59/52/85/607595285.db2.gz SJVAJUOJWUZYNJ-WDEREUQCSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824928223 607595287 /nfs/dbraw/zinc/59/52/87/607595287.db2.gz SJVAJUOJWUZYNJ-WDEREUQCSA-N -1 1 353.423 2.110 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1ccco1 ZINC000739406819 602961987 /nfs/dbraw/zinc/96/19/87/602961987.db2.gz GXKNMKHCLZFMJR-GJZGRUSLSA-N -1 1 366.462 2.494 20 0 FEADMM O=C(CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)NCC(F)(F)F ZINC000558747070 674514283 /nfs/dbraw/zinc/51/42/83/674514283.db2.gz DZRBXSGSSFVYFO-UHFFFAOYSA-N -1 1 361.707 2.002 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CC[C@@H]3CCCO3)cc2)n1 ZINC000740681232 603056633 /nfs/dbraw/zinc/05/66/33/603056633.db2.gz AIOYFIFQHGMUNN-ZDUSSCGKSA-N -1 1 359.386 2.137 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CC[C@@H]3CCCO3)cc2)n[nH]1 ZINC000740681232 603056637 /nfs/dbraw/zinc/05/66/37/603056637.db2.gz AIOYFIFQHGMUNN-ZDUSSCGKSA-N -1 1 359.386 2.137 20 0 FEADMM Cc1ncc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)s1 ZINC000740231754 603056805 /nfs/dbraw/zinc/05/68/05/603056805.db2.gz BKPVRFWWPTUIHW-UHFFFAOYSA-N -1 1 358.383 2.257 20 0 FEADMM Cc1ncc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)s1 ZINC000740231754 603056807 /nfs/dbraw/zinc/05/68/07/603056807.db2.gz BKPVRFWWPTUIHW-UHFFFAOYSA-N -1 1 358.383 2.257 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2c(cc1O)CCCC2 ZINC000826467068 607604437 /nfs/dbraw/zinc/60/44/37/607604437.db2.gz GDIZJFBUSZDFEY-UHFFFAOYSA-N -1 1 351.366 2.203 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2c(cc1O)CCCC2 ZINC000826467068 607604438 /nfs/dbraw/zinc/60/44/38/607604438.db2.gz GDIZJFBUSZDFEY-UHFFFAOYSA-N -1 1 351.366 2.203 20 0 FEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000824029194 607606046 /nfs/dbraw/zinc/60/60/46/607606046.db2.gz HESKMQBSKCSJAZ-UHFFFAOYSA-N -1 1 372.406 2.454 20 0 FEADMM COCCN(CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1)C(=O)[O-] ZINC000739821951 603108495 /nfs/dbraw/zinc/10/84/95/603108495.db2.gz PBYYHRVECYBAJY-UHFFFAOYSA-N -1 1 358.354 2.388 20 0 FEADMM CN(C[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1)C(=O)[O-] ZINC000739640028 603127511 /nfs/dbraw/zinc/12/75/11/603127511.db2.gz YSSYKMJLQCWDDL-ZDUSSCGKSA-N -1 1 372.429 2.003 20 0 FEADMM CN(C[C@@H]1CCCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1)C(=O)[O-] ZINC000739640028 603127513 /nfs/dbraw/zinc/12/75/13/603127513.db2.gz YSSYKMJLQCWDDL-ZDUSSCGKSA-N -1 1 372.429 2.003 20 0 FEADMM O=C([O-])NCCC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000738656742 603133094 /nfs/dbraw/zinc/13/30/94/603133094.db2.gz GWSQOCOXSWJSRD-ZDUSSCGKSA-N -1 1 359.348 2.054 20 0 FEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000832513289 603135620 /nfs/dbraw/zinc/13/56/20/603135620.db2.gz IUIZALSMARKADD-UFBFGSQYSA-N -1 1 366.361 2.209 20 0 FEADMM O=C([O-])N[C@@H](CNS(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000832140647 603143819 /nfs/dbraw/zinc/14/38/19/603143819.db2.gz MIESDWSQDLDVMV-ZDUSSCGKSA-N -1 1 356.350 2.252 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc(F)cc1 ZINC000739601213 603244150 /nfs/dbraw/zinc/24/41/50/603244150.db2.gz CXGQTDVPQWJEBQ-VNQPRFMTSA-N -1 1 351.422 2.371 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740575751 603261919 /nfs/dbraw/zinc/26/19/19/603261919.db2.gz SDAGMBOZWGNGFF-WCQYABFASA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740575751 603261921 /nfs/dbraw/zinc/26/19/21/603261921.db2.gz SDAGMBOZWGNGFF-WCQYABFASA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])N1CC[C@@H](CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000740468290 603351243 /nfs/dbraw/zinc/35/12/43/603351243.db2.gz ZWVNFISCGQEPCO-YOEHRIQHSA-N -1 1 373.453 2.414 20 0 FEADMM C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)CC[C@@H]1NC(=O)[O-] ZINC000739179629 603413656 /nfs/dbraw/zinc/41/36/56/603413656.db2.gz MRYRMNMSMHDBGM-SWHYSGLUSA-N -1 1 357.248 2.461 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CCC[C@@H](CN(C)C(=O)[O-])C3)[nH]c2c1 ZINC000830432410 603467118 /nfs/dbraw/zinc/46/71/18/603467118.db2.gz GCWWCDXXZZXJRG-ZDUSSCGKSA-N -1 1 359.430 2.403 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826395429 607634965 /nfs/dbraw/zinc/63/49/65/607634965.db2.gz BDZZVTISBJTRQW-UHFFFAOYSA-N -1 1 357.683 2.006 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC000826126714 603538247 /nfs/dbraw/zinc/53/82/47/603538247.db2.gz PYDRZISBTNPBFN-ZYHUDNBSSA-N -1 1 355.460 2.043 20 0 FEADMM C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823685642 603624290 /nfs/dbraw/zinc/62/42/90/603624290.db2.gz LJUZEYOTNIQIOP-DZGCQCFKSA-N -1 1 363.458 2.241 20 0 FEADMM CN(Cc1nc(-c2cccc(NC(=O)[O-])c2)no1)c1ncnc2[nH]cnc21 ZINC000828416449 603639892 /nfs/dbraw/zinc/63/98/92/603639892.db2.gz IKMJOTXBVYGBKD-UHFFFAOYSA-N -1 1 366.341 2.129 20 0 FEADMM CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825194920 607642186 /nfs/dbraw/zinc/64/21/86/607642186.db2.gz SYWDCHNSDVDRSX-MNOVXSKESA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825194920 607642187 /nfs/dbraw/zinc/64/21/87/607642187.db2.gz SYWDCHNSDVDRSX-MNOVXSKESA-N -1 1 353.423 2.253 20 0 FEADMM C[C@H]1CCCN(CC(=O)N2CCc3sccc3C2)[C@@H]1CNC(=O)[O-] ZINC000825918608 603708246 /nfs/dbraw/zinc/70/82/46/603708246.db2.gz GNDRCXLHABCUFY-GXTWGEPZSA-N -1 1 351.472 2.001 20 0 FEADMM C[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)[C@@H]1CNC(=O)[O-] ZINC000825918611 603708447 /nfs/dbraw/zinc/70/84/47/603708447.db2.gz GNDRCXLHABCUFY-TZMCWYRMSA-N -1 1 351.472 2.001 20 0 FEADMM Cc1ccc2nc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])[nH]c2c1 ZINC000830433434 603764687 /nfs/dbraw/zinc/76/46/87/603764687.db2.gz UHJBKEIVDUOQRP-MRXNPFEDSA-N -1 1 352.394 2.366 20 0 FEADMM CN(CC(=O)Nc1cccc2nsnc21)C1CCC(NC(=O)[O-])CC1 ZINC000828120104 603835489 /nfs/dbraw/zinc/83/54/89/603835489.db2.gz BCZBIMLQSKEZBD-UHFFFAOYSA-N -1 1 363.443 2.140 20 0 FEADMM CN(CC(=O)Nc1nc2c(s1)CCC2)C1CCC(NC(=O)[O-])CC1 ZINC000828120259 603835908 /nfs/dbraw/zinc/83/59/08/603835908.db2.gz HQZDHRBGHZGQQN-UHFFFAOYSA-N -1 1 352.460 2.081 20 0 FEADMM CN(C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])c1ccc(Cl)cc1 ZINC000827995837 603969935 /nfs/dbraw/zinc/96/99/35/603969935.db2.gz VFGHIJFLTBXNFD-QWHCGFSZSA-N -1 1 357.863 2.112 20 0 FEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000824959342 604045986 /nfs/dbraw/zinc/04/59/86/604045986.db2.gz KTIADUSMGPVZKS-FZMZJTMJSA-N -1 1 356.854 2.240 20 0 FEADMM CN(CCNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000828321375 604067011 /nfs/dbraw/zinc/06/70/11/604067011.db2.gz OULZMGVTVNWOQN-HOCLYGCPSA-N -1 1 351.422 2.200 20 0 FEADMM CCC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC000825170610 607671797 /nfs/dbraw/zinc/67/17/97/607671797.db2.gz DLKLIYJITPMKEK-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM CCC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC000825170610 607671799 /nfs/dbraw/zinc/67/17/99/607671799.db2.gz DLKLIYJITPMKEK-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM O=C([O-])NCCCOC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000832633703 604151497 /nfs/dbraw/zinc/15/14/97/604151497.db2.gz VLECMCNVVCVETN-UHFFFAOYSA-N -1 1 368.384 2.411 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256233 604217487 /nfs/dbraw/zinc/21/74/87/604217487.db2.gz VNILKMISJYWOQG-XQQFMLRXSA-N -1 1 363.414 2.110 20 0 FEADMM O=C([O-])c1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1F ZINC000833129960 604274830 /nfs/dbraw/zinc/27/48/30/604274830.db2.gz VDBKOOLYDPASAS-UHFFFAOYSA-N -1 1 357.385 2.313 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)n2)cc1 ZINC000832907754 604307822 /nfs/dbraw/zinc/30/78/22/604307822.db2.gz LDJZLCNWKQPRMD-DGCLKSJQSA-N -1 1 360.439 2.051 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000832907766 604313051 /nfs/dbraw/zinc/31/30/51/604313051.db2.gz LSDAASQMPMKZKT-QGZVFWFLSA-N -1 1 360.439 2.195 20 0 FEADMM CCOC(=O)N[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)C1 ZINC000829861361 604457766 /nfs/dbraw/zinc/45/77/66/604457766.db2.gz PBQUBECURFXMQW-XJKSGUPXSA-N -1 1 366.414 2.040 20 0 FEADMM CCCC(=O)N[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)C1 ZINC000829177088 604464749 /nfs/dbraw/zinc/46/47/49/604464749.db2.gz HBHQSZWYVOYNBQ-KDOFPFPSSA-N -1 1 364.442 2.210 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])cs3)CCO2)n[nH]1 ZINC000829570525 604494793 /nfs/dbraw/zinc/49/47/93/604494793.db2.gz GKQRLNRJKWLIAQ-JTQLQIEISA-N -1 1 365.415 2.122 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])cs3)CCO2)n1 ZINC000829570525 604494795 /nfs/dbraw/zinc/49/47/95/604494795.db2.gz GKQRLNRJKWLIAQ-JTQLQIEISA-N -1 1 365.415 2.122 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000833286547 604499746 /nfs/dbraw/zinc/49/97/46/604499746.db2.gz SGYPCMPRPQUCIH-HNAYVOBHSA-N -1 1 361.442 2.020 20 0 FEADMM Cc1cc([C@H](C)OC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)oc1C(=O)[O-] ZINC000832870924 604581404 /nfs/dbraw/zinc/58/14/04/604581404.db2.gz CZJDHDXKBMCLHM-NSHDSACASA-N -1 1 373.365 2.498 20 0 FEADMM CCc1cc(CNC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n[nH]1 ZINC000830218848 604590191 /nfs/dbraw/zinc/59/01/91/604590191.db2.gz UEDRHJWINNQKGA-UHFFFAOYSA-N -1 1 371.441 2.456 20 0 FEADMM CC(C)c1nnc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000833512261 604617175 /nfs/dbraw/zinc/61/71/75/604617175.db2.gz SELKVIIZCCVHFU-LJQANCHMSA-N -1 1 358.442 2.402 20 0 FEADMM COc1cccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000826217166 607711547 /nfs/dbraw/zinc/71/15/47/607711547.db2.gz ADXHERPQPWKLDR-UHFFFAOYSA-N -1 1 363.377 2.269 20 0 FEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000833504252 604766288 /nfs/dbraw/zinc/76/62/88/604766288.db2.gz AOKSDQMXZKENSK-NSHDSACASA-N -1 1 361.341 2.327 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000825977660 604798076 /nfs/dbraw/zinc/79/80/76/604798076.db2.gz LUVWNLQYTPJHKB-YJBOKZPZSA-N -1 1 359.470 2.275 20 0 FEADMM C[C@@H]1[C@H](C)N(C)CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833587087 604854598 /nfs/dbraw/zinc/85/45/98/604854598.db2.gz JMFGEUGXXDYRJQ-NWDGAFQWSA-N -1 1 365.499 2.288 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)CC3(CCCCC3)C2=O)C1 ZINC000833420551 604867217 /nfs/dbraw/zinc/86/72/17/604867217.db2.gz UOBPWRMWFHJCIA-CQSZACIVSA-N -1 1 350.459 2.476 20 0 FEADMM CC(C)c1nc([C@H](C)NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)n[nH]1 ZINC000833511912 604925826 /nfs/dbraw/zinc/92/58/26/604925826.db2.gz FBUVEYGMMRYAQI-QMMMGPOBSA-N -1 1 357.374 2.385 20 0 FEADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(C)ccc2Br)c1C(=O)[O-] ZINC000833747598 604944355 /nfs/dbraw/zinc/94/43/55/604944355.db2.gz ZJDDZVDRGZOJCC-UHFFFAOYSA-N -1 1 374.216 2.288 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000833550489 604946267 /nfs/dbraw/zinc/94/62/67/604946267.db2.gz MYAARGYTXDSEED-LIRRHRJNSA-N -1 1 360.458 2.113 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000833421595 604954754 /nfs/dbraw/zinc/95/47/54/604954754.db2.gz SVUDGNONMMREQD-LLVKDONJSA-N -1 1 362.386 2.091 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NCC(C)(C)NC(=O)[O-])n2)cc1 ZINC000830159827 604976228 /nfs/dbraw/zinc/97/62/28/604976228.db2.gz IHFQFZBEQMLALI-UHFFFAOYSA-N -1 1 363.443 2.035 20 0 FEADMM C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000184916807 605000567 /nfs/dbraw/zinc/00/05/67/605000567.db2.gz IKHISTTUBIGTCB-NSHDSACASA-N -1 1 360.863 2.048 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000833512950 605003454 /nfs/dbraw/zinc/00/34/54/605003454.db2.gz WTCGUBIDSAIUAM-OALRPVAKSA-N -1 1 364.427 2.065 20 0 FEADMM CCOc1ccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833662680 605037381 /nfs/dbraw/zinc/03/73/81/605037381.db2.gz KBFDXUOUVZOCEK-ZDUSSCGKSA-N -1 1 351.472 2.263 20 0 FEADMM Cc1ccc(C[C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)s1 ZINC000833748377 605053850 /nfs/dbraw/zinc/05/38/50/605053850.db2.gz JXMBUTWWTPTZKI-STQMWFEESA-N -1 1 353.488 2.178 20 0 FEADMM CCOC(=O)CC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000825508328 607731353 /nfs/dbraw/zinc/73/13/53/607731353.db2.gz WULFVYGAXDDSJO-LLVKDONJSA-N -1 1 364.837 2.475 20 0 FEADMM CCOC(=O)CC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000825508328 607731354 /nfs/dbraw/zinc/73/13/54/607731354.db2.gz WULFVYGAXDDSJO-LLVKDONJSA-N -1 1 364.837 2.475 20 0 FEADMM CN(C(=O)CN1CCC(C2CCOCC2)CC1)c1ccccc1C(=O)[O-] ZINC000833684442 605091276 /nfs/dbraw/zinc/09/12/76/605091276.db2.gz CBHWJZPHYCPCQC-UHFFFAOYSA-N -1 1 360.454 2.486 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1nc2ccccc2s1 ZINC000833619964 605158616 /nfs/dbraw/zinc/15/86/16/605158616.db2.gz JKXREXYYZLIEHL-KTRBRXNASA-N -1 1 359.451 2.317 20 0 FEADMM C[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)[C@H](C)CN1Cc1ccccc1 ZINC000833624638 605173706 /nfs/dbraw/zinc/17/37/06/605173706.db2.gz UHKOSNGCIVIVAX-NUJGCVRESA-N -1 1 374.485 2.433 20 0 FEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833611053 605202201 /nfs/dbraw/zinc/20/22/01/605202201.db2.gz MFOGYTVFXRWBKO-TXEJJXNPSA-N -1 1 358.435 2.065 20 0 FEADMM COCCN1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C[C@H]1C ZINC000833724580 605205313 /nfs/dbraw/zinc/20/53/13/605205313.db2.gz OFHXJIOAYFQQHR-IUODEOHRSA-N -1 1 371.275 2.227 20 0 FEADMM NC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cn1 ZINC000833762056 605262389 /nfs/dbraw/zinc/26/23/89/605262389.db2.gz BHUKBEAIAKFPEK-ZDUSSCGKSA-N -1 1 353.300 2.115 20 0 FEADMM O=C([O-])N[C@H]1CCc2ncc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)cc2C1 ZINC000834193544 605361636 /nfs/dbraw/zinc/36/16/36/605361636.db2.gz CGSDMWZVVZPNBU-SWLSCSKDSA-N -1 1 370.413 2.129 20 0 FEADMM C[C@@H](CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)NC(=O)[O-] ZINC000833800670 605374715 /nfs/dbraw/zinc/37/47/15/605374715.db2.gz PUADFQDHMGBWRN-GXTWGEPZSA-N -1 1 357.414 2.224 20 0 FEADMM CN(CCN(C)C(=O)c1[nH]nc2ccc(Br)cc21)C(=O)[O-] ZINC000833874010 605521749 /nfs/dbraw/zinc/52/17/49/605521749.db2.gz VBMIODQPJSLTLO-UHFFFAOYSA-N -1 1 355.192 2.007 20 0 FEADMM O=C([O-])NC[C@H](NCc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000834205102 605666604 /nfs/dbraw/zinc/66/66/04/605666604.db2.gz CPAOHOFQNXLYKF-ZDUSSCGKSA-N -1 1 350.444 2.062 20 0 FEADMM O=C([O-])Nc1ccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cn1 ZINC000834260069 605704242 /nfs/dbraw/zinc/70/42/42/605704242.db2.gz KPKIQFAIQXBSRT-LLVKDONJSA-N -1 1 362.336 2.345 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)n[nH]2)c1 ZINC000829531348 605748572 /nfs/dbraw/zinc/74/85/72/605748572.db2.gz IGDSMMOTAGWRLE-WCQYABFASA-N -1 1 358.398 2.346 20 0 FEADMM O=C([O-])N1CC[C@H](NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834081702 605822669 /nfs/dbraw/zinc/82/26/69/605822669.db2.gz DZCGCXLFFUDHMD-KBPBESRZSA-N -1 1 370.413 2.071 20 0 FEADMM O=C([O-])NC[C@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000834219664 605868600 /nfs/dbraw/zinc/86/86/00/605868600.db2.gz KWUMXKKSXNUDEY-BXUZGUMPSA-N -1 1 357.248 2.462 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1C[C@@H](O)c1ccccc1Br ZINC000833829985 605884148 /nfs/dbraw/zinc/88/41/48/605884148.db2.gz ICKBBVHYCVYCPW-UHIISALHSA-N -1 1 357.248 2.461 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1C[C@@H](O)c1ccccc1Br ZINC000833829981 605884949 /nfs/dbraw/zinc/88/49/49/605884949.db2.gz ICKBBVHYCVYCPW-JTNHKYCSSA-N -1 1 357.248 2.461 20 0 FEADMM Cc1oc(-c2ccccc2)nc1CONC(=N)[C@@H]1COCCN1C(=O)[O-] ZINC000833936351 605924245 /nfs/dbraw/zinc/92/42/45/605924245.db2.gz OLSWPEWUXPBEGZ-AWEZNQCLSA-N -1 1 360.370 2.027 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CCn1cnc2ccccc2c1=O ZINC000832234689 605940258 /nfs/dbraw/zinc/94/02/58/605940258.db2.gz HOWKLWRRZIWFJY-GOOCMWNKSA-N -1 1 356.426 2.050 20 0 FEADMM O=C([O-])N1CC[C@@](F)(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834083105 605971629 /nfs/dbraw/zinc/97/16/29/605971629.db2.gz HBFGGLHNUKJZGT-UGSOOPFHSA-N -1 1 373.388 2.227 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCN(C2CCC2)CC1 ZINC000834161457 606016050 /nfs/dbraw/zinc/01/60/50/606016050.db2.gz QZRMBENBBUCWSR-KWOWKCNFSA-N -1 1 364.490 2.081 20 0 FEADMM NC(=O)[C@H]1CCCN1Cc1cccc(N[C@@H]2CCCN(C(=O)[O-])CC2)c1 ZINC000833979614 606044036 /nfs/dbraw/zinc/04/40/36/606044036.db2.gz CLLBDVOURRZLFK-NVXWUHKLSA-N -1 1 360.458 2.081 20 0 FEADMM CN(CC1CCCCC1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596156 606132206 /nfs/dbraw/zinc/13/22/06/606132206.db2.gz BIHOMQXESLHRJC-UHFFFAOYSA-N -1 1 363.443 2.124 20 0 FEADMM CN(CC1CCCCC1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596156 606132208 /nfs/dbraw/zinc/13/22/08/606132208.db2.gz BIHOMQXESLHRJC-UHFFFAOYSA-N -1 1 363.443 2.124 20 0 FEADMM CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000820508116 606137301 /nfs/dbraw/zinc/13/73/01/606137301.db2.gz MSECGPSUDZAJEB-SNVBAGLBSA-N -1 1 351.432 2.119 20 0 FEADMM CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000820508116 606137302 /nfs/dbraw/zinc/13/73/02/606137302.db2.gz MSECGPSUDZAJEB-SNVBAGLBSA-N -1 1 351.432 2.119 20 0 FEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)nc2Cl)no1 ZINC000810091780 674531226 /nfs/dbraw/zinc/53/12/26/674531226.db2.gz HZPKJXDXSFHBPT-VIFPVBQESA-N -1 1 360.823 2.002 20 0 FEADMM CCc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC000821480428 606154839 /nfs/dbraw/zinc/15/48/39/606154839.db2.gz BZTXBLZGRRJCAF-LBPRGKRZSA-N -1 1 356.390 2.125 20 0 FEADMM CCc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC000821480428 606154840 /nfs/dbraw/zinc/15/48/40/606154840.db2.gz BZTXBLZGRRJCAF-LBPRGKRZSA-N -1 1 356.390 2.125 20 0 FEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820669199 606155043 /nfs/dbraw/zinc/15/50/43/606155043.db2.gz ZRWSJPRKXLGZIG-AAEUAGOBSA-N -1 1 352.402 2.010 20 0 FEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820669199 606155046 /nfs/dbraw/zinc/15/50/46/606155046.db2.gz ZRWSJPRKXLGZIG-AAEUAGOBSA-N -1 1 352.402 2.010 20 0 FEADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCc2ccccc21 ZINC000821572157 606158379 /nfs/dbraw/zinc/15/83/79/606158379.db2.gz TUDUILUSBZDXQQ-AWEZNQCLSA-N -1 1 352.402 2.142 20 0 FEADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCc2ccccc21 ZINC000821572157 606158381 /nfs/dbraw/zinc/15/83/81/606158381.db2.gz TUDUILUSBZDXQQ-AWEZNQCLSA-N -1 1 352.402 2.142 20 0 FEADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000822351853 606161431 /nfs/dbraw/zinc/16/14/31/606161431.db2.gz RPIXTSFQWBHOPV-STQMWFEESA-N -1 1 366.429 2.319 20 0 FEADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000822351853 606161432 /nfs/dbraw/zinc/16/14/32/606161432.db2.gz RPIXTSFQWBHOPV-STQMWFEESA-N -1 1 366.429 2.319 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000822614956 606161945 /nfs/dbraw/zinc/16/19/45/606161945.db2.gz YCDAQLQOHAEEFF-DZGCQCFKSA-N -1 1 366.429 2.133 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000822614956 606161947 /nfs/dbraw/zinc/16/19/47/606161947.db2.gz YCDAQLQOHAEEFF-DZGCQCFKSA-N -1 1 366.429 2.133 20 0 FEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822234702 606165930 /nfs/dbraw/zinc/16/59/30/606165930.db2.gz DXUNGIWSARXCDY-AWEZNQCLSA-N -1 1 366.429 2.148 20 0 FEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822234702 606165931 /nfs/dbraw/zinc/16/59/31/606165931.db2.gz DXUNGIWSARXCDY-AWEZNQCLSA-N -1 1 366.429 2.148 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000822614744 606168806 /nfs/dbraw/zinc/16/88/06/606168806.db2.gz QRCXNMGRJQFDGC-ZFWWWQNUSA-N -1 1 366.429 2.448 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000822614744 606168807 /nfs/dbraw/zinc/16/88/07/606168807.db2.gz QRCXNMGRJQFDGC-ZFWWWQNUSA-N -1 1 366.429 2.448 20 0 FEADMM CC(C)Oc1cccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820178234 606170604 /nfs/dbraw/zinc/17/06/04/606170604.db2.gz LVCWJWUHTZOJEP-NSHDSACASA-N -1 1 370.417 2.270 20 0 FEADMM CC(C)Oc1cccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820178234 606170606 /nfs/dbraw/zinc/17/06/06/606170606.db2.gz LVCWJWUHTZOJEP-NSHDSACASA-N -1 1 370.417 2.270 20 0 FEADMM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822234657 606172839 /nfs/dbraw/zinc/17/28/39/606172839.db2.gz CNMUJBAJNKHQOH-GFCCVEGCSA-N -1 1 354.418 2.004 20 0 FEADMM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822234657 606172841 /nfs/dbraw/zinc/17/28/41/606172841.db2.gz CNMUJBAJNKHQOH-GFCCVEGCSA-N -1 1 354.418 2.004 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000823583347 606181158 /nfs/dbraw/zinc/18/11/58/606181158.db2.gz NZRORRRCAAPFDU-UHFFFAOYSA-N -1 1 367.394 2.058 20 0 FEADMM O=C(NCCSCc1ccccc1-c1nn[nH]n1)c1cc(F)ccc1[O-] ZINC000823218874 606197135 /nfs/dbraw/zinc/19/71/35/606197135.db2.gz AVHLWKRXHZXWOI-UHFFFAOYSA-N -1 1 373.413 2.375 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2C[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000822486592 606392054 /nfs/dbraw/zinc/39/20/54/606392054.db2.gz PVMRQXPORQCYDE-HUUCEWRRSA-N -1 1 364.409 2.450 20 0 FEADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](CC)CN1C(C)=O ZINC000820995311 606421296 /nfs/dbraw/zinc/42/12/96/606421296.db2.gz PLKIMMOTRYMCLJ-NEPJUHHUSA-N -1 1 363.853 2.141 20 0 FEADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](CC)CN1C(C)=O ZINC000820995311 606421298 /nfs/dbraw/zinc/42/12/98/606421298.db2.gz PLKIMMOTRYMCLJ-NEPJUHHUSA-N -1 1 363.853 2.141 20 0 FEADMM O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823299097 606494898 /nfs/dbraw/zinc/49/48/98/606494898.db2.gz HFSINGSIUHFSGY-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823299097 606494899 /nfs/dbraw/zinc/49/48/99/606494899.db2.gz HFSINGSIUHFSGY-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(NCCc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823224278 606538428 /nfs/dbraw/zinc/53/84/28/606538428.db2.gz WFDMXHBOMMTVJN-UHFFFAOYSA-N -1 1 350.407 2.449 20 0 FEADMM O=C(NCCc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823224278 606538429 /nfs/dbraw/zinc/53/84/29/606538429.db2.gz WFDMXHBOMMTVJN-UHFFFAOYSA-N -1 1 350.407 2.449 20 0 FEADMM CCOC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821319566 606574424 /nfs/dbraw/zinc/57/44/24/606574424.db2.gz DQNDXFJMSXCMLM-LBPRGKRZSA-N -1 1 371.422 2.005 20 0 FEADMM CCOC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821319566 606574425 /nfs/dbraw/zinc/57/44/25/606574425.db2.gz DQNDXFJMSXCMLM-LBPRGKRZSA-N -1 1 371.422 2.005 20 0 FEADMM CC[C@@](C)(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)C1OCCO1 ZINC000820853367 606576931 /nfs/dbraw/zinc/57/69/31/606576931.db2.gz LKYJALJNSVUVMO-INIZCTEOSA-N -1 1 365.459 2.227 20 0 FEADMM CC[C@@](C)(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)C1OCCO1 ZINC000820853367 606576933 /nfs/dbraw/zinc/57/69/33/606576933.db2.gz LKYJALJNSVUVMO-INIZCTEOSA-N -1 1 365.459 2.227 20 0 FEADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000823530267 606625149 /nfs/dbraw/zinc/62/51/49/606625149.db2.gz GQPOEOACYCSNEM-UHFFFAOYSA-N -1 1 369.406 2.187 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1SCCc2sccc21 ZINC000823436373 606648566 /nfs/dbraw/zinc/64/85/66/606648566.db2.gz SFCGEEPCHHHJMY-CYBMUJFWSA-N -1 1 359.436 2.397 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1SCCc2sccc21 ZINC000823436373 606648567 /nfs/dbraw/zinc/64/85/67/606648567.db2.gz SFCGEEPCHHHJMY-CYBMUJFWSA-N -1 1 359.436 2.397 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000823435877 606651466 /nfs/dbraw/zinc/65/14/66/606651466.db2.gz CFHAIGXMQMUBAC-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000823435877 606651467 /nfs/dbraw/zinc/65/14/67/606651467.db2.gz CFHAIGXMQMUBAC-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM COc1ccc(S[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821845470 606652709 /nfs/dbraw/zinc/65/27/09/606652709.db2.gz GUFLBEQNRMFTBP-NSHDSACASA-N -1 1 371.422 2.494 20 0 FEADMM COc1ccc(S[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821845470 606652710 /nfs/dbraw/zinc/65/27/10/606652710.db2.gz GUFLBEQNRMFTBP-NSHDSACASA-N -1 1 371.422 2.494 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cccc(Oc2ccccc2)c1 ZINC000823123328 606655456 /nfs/dbraw/zinc/65/54/56/606655456.db2.gz XAKUQNBKTIHWHL-UHFFFAOYSA-N -1 1 361.365 2.494 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cccc(Oc2ccccc2)c1 ZINC000823123328 606655457 /nfs/dbraw/zinc/65/54/57/606655457.db2.gz XAKUQNBKTIHWHL-UHFFFAOYSA-N -1 1 361.365 2.494 20 0 FEADMM CCCCCC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821043690 606741300 /nfs/dbraw/zinc/74/13/00/606741300.db2.gz SPQQTIVKZQCRGL-UHFFFAOYSA-N -1 1 352.464 2.147 20 0 FEADMM CCCCCC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821043690 606741301 /nfs/dbraw/zinc/74/13/01/606741301.db2.gz SPQQTIVKZQCRGL-UHFFFAOYSA-N -1 1 352.464 2.147 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2cccc(C)c2F)c(-c2nn[n-]n2)c1C ZINC000822289225 606763410 /nfs/dbraw/zinc/76/34/10/606763410.db2.gz VCTHBBNEWNHGHP-UHFFFAOYSA-N -1 1 373.344 2.320 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(F)c(F)c2F)n1 ZINC000819971442 606848934 /nfs/dbraw/zinc/84/89/34/606848934.db2.gz LGAYBHSKECOUIG-UHFFFAOYSA-N -1 1 365.319 2.488 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(F)c(F)c2F)n1 ZINC000819971442 606848935 /nfs/dbraw/zinc/84/89/35/606848935.db2.gz LGAYBHSKECOUIG-UHFFFAOYSA-N -1 1 365.319 2.488 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000819922716 606912703 /nfs/dbraw/zinc/91/27/03/606912703.db2.gz NMBMHTKVJIFAGJ-HNNXBMFYSA-N -1 1 368.441 2.426 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCOC(C)(C)[C@H]1C ZINC000822534859 606966623 /nfs/dbraw/zinc/96/66/23/606966623.db2.gz ASKSVGVGKZWKMP-GFCCVEGCSA-N -1 1 370.413 2.198 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCOC(C)(C)[C@H]1C ZINC000822534859 606966625 /nfs/dbraw/zinc/96/66/25/606966625.db2.gz ASKSVGVGKZWKMP-GFCCVEGCSA-N -1 1 370.413 2.198 20 0 FEADMM C[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccncc1 ZINC000820225642 607018032 /nfs/dbraw/zinc/01/80/32/607018032.db2.gz NROPSSVEHXKQAF-LLVKDONJSA-N -1 1 354.418 2.346 20 0 FEADMM C[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccncc1 ZINC000820225642 607018034 /nfs/dbraw/zinc/01/80/34/607018034.db2.gz NROPSSVEHXKQAF-LLVKDONJSA-N -1 1 354.418 2.346 20 0 FEADMM COc1cccc([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)CCO2)c1 ZINC000821862973 607094869 /nfs/dbraw/zinc/09/48/69/607094869.db2.gz HEAKSLMMJWKCBH-ZDUSSCGKSA-N -1 1 371.422 2.151 20 0 FEADMM COc1cccc([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)CCO2)c1 ZINC000821862973 607094870 /nfs/dbraw/zinc/09/48/70/607094870.db2.gz HEAKSLMMJWKCBH-ZDUSSCGKSA-N -1 1 371.422 2.151 20 0 FEADMM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000820570850 607138868 /nfs/dbraw/zinc/13/88/68/607138868.db2.gz RSZANRSACRHJES-LBPRGKRZSA-N -1 1 360.381 2.320 20 0 FEADMM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000820570850 607138870 /nfs/dbraw/zinc/13/88/70/607138870.db2.gz RSZANRSACRHJES-LBPRGKRZSA-N -1 1 360.381 2.320 20 0 FEADMM C[C@@H](O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736144637 607223927 /nfs/dbraw/zinc/22/39/27/607223927.db2.gz PYKNLZSQDZVKLM-LLVKDONJSA-N -1 1 371.372 2.299 20 0 FEADMM C[C@@H](O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736144637 607223928 /nfs/dbraw/zinc/22/39/28/607223928.db2.gz PYKNLZSQDZVKLM-LLVKDONJSA-N -1 1 371.372 2.299 20 0 FEADMM Cc1ccc(OCCCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822263764 607239224 /nfs/dbraw/zinc/23/92/24/607239224.db2.gz YLRJODOPRNCZQU-UHFFFAOYSA-N -1 1 355.402 2.015 20 0 FEADMM Cc1ccc(OCCCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)c1 ZINC000822263764 607239225 /nfs/dbraw/zinc/23/92/25/607239225.db2.gz YLRJODOPRNCZQU-UHFFFAOYSA-N -1 1 355.402 2.015 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000826394858 607781321 /nfs/dbraw/zinc/78/13/21/607781321.db2.gz BZGNIQSWXYZFFD-UHFFFAOYSA-N -1 1 359.802 2.396 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1cc(C)ncn1 ZINC000826267652 607801556 /nfs/dbraw/zinc/80/15/56/607801556.db2.gz OVSLTKAWMAJMKV-UHFFFAOYSA-N -1 1 365.353 2.014 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1cc(C)ncn1 ZINC000826267652 607801557 /nfs/dbraw/zinc/80/15/57/607801557.db2.gz OVSLTKAWMAJMKV-UHFFFAOYSA-N -1 1 365.353 2.014 20 0 FEADMM CCOc1cccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825648942 607865866 /nfs/dbraw/zinc/86/58/66/607865866.db2.gz HKASXHQVURQQDD-UHFFFAOYSA-N -1 1 371.372 2.100 20 0 FEADMM CCOc1cccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825648942 607865867 /nfs/dbraw/zinc/86/58/67/607865867.db2.gz HKASXHQVURQQDD-UHFFFAOYSA-N -1 1 371.372 2.100 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826493451 607868148 /nfs/dbraw/zinc/86/81/48/607868148.db2.gz LEISSTZCTXCOCX-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826493451 607868149 /nfs/dbraw/zinc/86/81/49/607868149.db2.gz LEISSTZCTXCOCX-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=C(Nc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1)[C@H]1CCCO1 ZINC000826454897 607896656 /nfs/dbraw/zinc/89/66/56/607896656.db2.gz PVINHKZZEYJFPY-CQSZACIVSA-N -1 1 351.370 2.123 20 0 FEADMM O=C(Nc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1)[C@H]1CCCO1 ZINC000826454897 607896657 /nfs/dbraw/zinc/89/66/57/607896657.db2.gz PVINHKZZEYJFPY-CQSZACIVSA-N -1 1 351.370 2.123 20 0 FEADMM COCCN(CCCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000826158415 607898898 /nfs/dbraw/zinc/89/88/98/607898898.db2.gz OGLQRALJADWNBR-UHFFFAOYSA-N -1 1 372.404 2.323 20 0 FEADMM COCCN(CCCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000826158415 607898899 /nfs/dbraw/zinc/89/88/99/607898899.db2.gz OGLQRALJADWNBR-UHFFFAOYSA-N -1 1 372.404 2.323 20 0 FEADMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209971 607934888 /nfs/dbraw/zinc/93/48/88/607934888.db2.gz DKTZVAIFZXYZPC-OLZOCXBDSA-N -1 1 373.461 2.391 20 0 FEADMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209971 607934889 /nfs/dbraw/zinc/93/48/89/607934889.db2.gz DKTZVAIFZXYZPC-OLZOCXBDSA-N -1 1 373.461 2.391 20 0 FEADMM CN(Cc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825980547 607988426 /nfs/dbraw/zinc/98/84/26/607988426.db2.gz DUOSOVWISIWJGI-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CN(Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825980547 607988427 /nfs/dbraw/zinc/98/84/27/607988427.db2.gz DUOSOVWISIWJGI-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824364388 607997150 /nfs/dbraw/zinc/99/71/50/607997150.db2.gz DPFAKBJPKJPBQZ-UHFFFAOYSA-N -1 1 361.793 2.335 20 0 FEADMM CC(C)(C)n1ccnc1SCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824152849 607998426 /nfs/dbraw/zinc/99/84/26/607998426.db2.gz PWJUIKJBYYSFDS-UHFFFAOYSA-N -1 1 373.442 2.255 20 0 FEADMM Cc1ccc(-c2noc(CCCn3ccnc3-c3nnn[n-]3)n2)cc1F ZINC000826280838 608012964 /nfs/dbraw/zinc/01/29/64/608012964.db2.gz RXKIRIFDPXZTJM-UHFFFAOYSA-N -1 1 354.349 2.194 20 0 FEADMM Cc1ccc(-c2noc(CCCn3ccnc3-c3nn[n-]n3)n2)cc1F ZINC000826280838 608012965 /nfs/dbraw/zinc/01/29/65/608012965.db2.gz RXKIRIFDPXZTJM-UHFFFAOYSA-N -1 1 354.349 2.194 20 0 FEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000824478482 608013470 /nfs/dbraw/zinc/01/34/70/608013470.db2.gz HGSQZMITBIXZAB-MRVPVSSYSA-N -1 1 366.212 2.247 20 0 FEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000824478482 608013471 /nfs/dbraw/zinc/01/34/71/608013471.db2.gz HGSQZMITBIXZAB-MRVPVSSYSA-N -1 1 366.212 2.247 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(-c2cccnc2)s1 ZINC000826467339 608060860 /nfs/dbraw/zinc/06/08/60/608060860.db2.gz RNPKNPKXJNGVHO-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(-c2cccnc2)s1 ZINC000826467339 608060861 /nfs/dbraw/zinc/06/08/61/608060861.db2.gz RNPKNPKXJNGVHO-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CSCC(F)(F)F)n1 ZINC000824148460 608066069 /nfs/dbraw/zinc/06/60/69/608066069.db2.gz VWAJHBXJPSKJDF-UHFFFAOYSA-N -1 1 363.369 2.052 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CSCC(F)(F)F)n1 ZINC000824148460 608066070 /nfs/dbraw/zinc/06/60/70/608066070.db2.gz VWAJHBXJPSKJDF-UHFFFAOYSA-N -1 1 363.369 2.052 20 0 FEADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824077630 608125344 /nfs/dbraw/zinc/12/53/44/608125344.db2.gz CAZAIBICARHREO-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824077630 608125345 /nfs/dbraw/zinc/12/53/45/608125345.db2.gz CAZAIBICARHREO-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826472366 608130845 /nfs/dbraw/zinc/13/08/45/608130845.db2.gz IRENEDRGZUZAKW-GFCCVEGCSA-N -1 1 359.386 2.361 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826472366 608130846 /nfs/dbraw/zinc/13/08/46/608130846.db2.gz IRENEDRGZUZAKW-GFCCVEGCSA-N -1 1 359.386 2.361 20 0 FEADMM Cc1cc([C@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)ccc1F ZINC000826266261 608172758 /nfs/dbraw/zinc/17/27/58/608172758.db2.gz IVYPQRXXYKQQGA-QGZVFWFLSA-N -1 1 354.389 2.283 20 0 FEADMM O=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826460914 608181310 /nfs/dbraw/zinc/18/13/10/608181310.db2.gz XVLOCEDUZOWTMR-XQRVVYSFSA-N -1 1 366.366 2.129 20 0 FEADMM O=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826460914 608181312 /nfs/dbraw/zinc/18/13/12/608181312.db2.gz XVLOCEDUZOWTMR-XQRVVYSFSA-N -1 1 366.366 2.129 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@]1(C)CCOC1 ZINC000826340926 608200438 /nfs/dbraw/zinc/20/04/38/608200438.db2.gz PGJOLEOSTQCQAJ-KRWDZBQOSA-N -1 1 357.370 2.142 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@]1(C)CCOC1 ZINC000826340926 608200441 /nfs/dbraw/zinc/20/04/41/608200441.db2.gz PGJOLEOSTQCQAJ-KRWDZBQOSA-N -1 1 357.370 2.142 20 0 FEADMM Cn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826358975 608257399 /nfs/dbraw/zinc/25/73/99/608257399.db2.gz QHUOUVIGEYMZAQ-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM Cn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826358975 608257400 /nfs/dbraw/zinc/25/74/00/608257400.db2.gz QHUOUVIGEYMZAQ-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM CC(C)(C)OC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC000824108094 608409129 /nfs/dbraw/zinc/40/91/29/608409129.db2.gz BFVVCUCPOBTZKN-UHFFFAOYSA-N -1 1 374.449 2.296 20 0 FEADMM CC(C)(C)OC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC000824108094 608409130 /nfs/dbraw/zinc/40/91/30/608409130.db2.gz BFVVCUCPOBTZKN-UHFFFAOYSA-N -1 1 374.449 2.296 20 0 FEADMM CN(CCc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825946434 608415498 /nfs/dbraw/zinc/41/54/98/608415498.db2.gz YBCVHFHRVCWIJE-UHFFFAOYSA-N -1 1 360.219 2.098 20 0 FEADMM CN(CCc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825946434 608415500 /nfs/dbraw/zinc/41/55/00/608415500.db2.gz YBCVHFHRVCWIJE-UHFFFAOYSA-N -1 1 360.219 2.098 20 0 FEADMM CC(C)(C)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000824123893 608448745 /nfs/dbraw/zinc/44/87/45/608448745.db2.gz LTJZVIUZVFTAHH-UHFFFAOYSA-N -1 1 358.427 2.431 20 0 FEADMM CC(C)(C)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000824123893 608448747 /nfs/dbraw/zinc/44/87/47/608448747.db2.gz LTJZVIUZVFTAHH-UHFFFAOYSA-N -1 1 358.427 2.431 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](c1cccs1)N1CCOCC1 ZINC000826281007 608541574 /nfs/dbraw/zinc/54/15/74/608541574.db2.gz ZJUNYPBJDMEPFC-AWEZNQCLSA-N -1 1 371.470 2.117 20 0 FEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010713 608553883 /nfs/dbraw/zinc/55/38/83/608553883.db2.gz PDTAUXNJMBFPQE-CJNGLKHVSA-N -1 1 369.816 2.299 20 0 FEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010713 608553884 /nfs/dbraw/zinc/55/38/84/608553884.db2.gz PDTAUXNJMBFPQE-CJNGLKHVSA-N -1 1 369.816 2.299 20 0 FEADMM Cn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(-c2cccs2)n1 ZINC000826358771 608572105 /nfs/dbraw/zinc/57/21/05/608572105.db2.gz HPCINGFLJFXJQX-UHFFFAOYSA-N -1 1 367.394 2.081 20 0 FEADMM Cn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(-c2cccs2)n1 ZINC000826358771 608572107 /nfs/dbraw/zinc/57/21/07/608572107.db2.gz HPCINGFLJFXJQX-UHFFFAOYSA-N -1 1 367.394 2.081 20 0 FEADMM COC[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736967405 608760795 /nfs/dbraw/zinc/76/07/95/608760795.db2.gz BIEYXCNLZWBGBA-LLVKDONJSA-N -1 1 372.454 2.429 20 0 FEADMM O[C@]1(c2ccc(F)cc2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506611 609168809 /nfs/dbraw/zinc/16/88/09/609168809.db2.gz XXSOVOKLSLNKIS-CQSZACIVSA-N -1 1 366.809 2.214 20 0 FEADMM O[C@]1(c2ccc(F)cc2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826506611 609168810 /nfs/dbraw/zinc/16/88/10/609168810.db2.gz XXSOVOKLSLNKIS-CQSZACIVSA-N -1 1 366.809 2.214 20 0 FEADMM COCCn1cc2c(n1)[C@@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)CCC2 ZINC000826163902 609172111 /nfs/dbraw/zinc/17/21/11/609172111.db2.gz QGQKOISIMRIUKG-LBPRGKRZSA-N -1 1 374.836 2.248 20 0 FEADMM COCCn1cc2c(n1)[C@@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)CCC2 ZINC000826163902 609172113 /nfs/dbraw/zinc/17/21/13/609172113.db2.gz QGQKOISIMRIUKG-LBPRGKRZSA-N -1 1 374.836 2.248 20 0 FEADMM CSC[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826227805 609290648 /nfs/dbraw/zinc/29/06/48/609290648.db2.gz YEGYNTFFJCEDCH-SECBINFHSA-N -1 1 361.406 2.129 20 0 FEADMM CC1(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000824833313 609360424 /nfs/dbraw/zinc/36/04/24/609360424.db2.gz YZPVGYNNOFENJS-UHFFFAOYSA-N -1 1 356.365 2.256 20 0 FEADMM Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810834340 674564424 /nfs/dbraw/zinc/56/44/24/674564424.db2.gz QDJBJDPTWIUJNX-QGZVFWFLSA-N -1 1 356.463 2.154 20 0 FEADMM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810860607 674565527 /nfs/dbraw/zinc/56/55/27/674565527.db2.gz YCTZTCNQRWABHY-GOSISDBHSA-N -1 1 370.490 2.462 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1)C(F)(F)F ZINC000810903934 674567786 /nfs/dbraw/zinc/56/77/86/674567786.db2.gz QJZXGOBJTLRQDR-LLVKDONJSA-N -1 1 356.344 2.248 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@H]2Cc3ccc(F)cc32)C1)C(F)(F)F ZINC000810905228 674567997 /nfs/dbraw/zinc/56/79/97/674567997.db2.gz RIBLMNQQUUEDKI-YGRLFVJLSA-N -1 1 358.335 2.383 20 0 FEADMM O=C(COC(=O)[C@H]1CCCSC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000811412765 674600897 /nfs/dbraw/zinc/60/08/97/674600897.db2.gz TYVWLUZTPNBPCT-NSHDSACASA-N -1 1 373.377 2.231 20 0 FEADMM C[C@H]1CCN(C(=O)NOC/C=C/Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000811982274 674644736 /nfs/dbraw/zinc/64/47/36/674644736.db2.gz QZGJAIZKJLLSKM-SDILFXHPSA-N -1 1 357.760 2.158 20 0 FEADMM O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1ncccc1[O-] ZINC000561773694 674697995 /nfs/dbraw/zinc/69/79/95/674697995.db2.gz HJCASWGWVXMOHU-NSHDSACASA-N -1 1 355.163 2.152 20 0 FEADMM CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000562497232 674762647 /nfs/dbraw/zinc/76/26/47/674762647.db2.gz BIOGDGADMILGBW-QWHCGFSZSA-N -1 1 364.471 2.247 20 0 FEADMM Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCO1 ZINC000562733110 674797430 /nfs/dbraw/zinc/79/74/30/674797430.db2.gz NWTVXZYAOSLWSX-SMDDNHRTSA-N -1 1 373.837 2.411 20 0 FEADMM CCC(Nc1ccccc1Cl)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814346660 674832764 /nfs/dbraw/zinc/83/27/64/674832764.db2.gz HANPKVNGJCQHOC-ACCUITESSA-N -1 1 367.858 2.306 20 0 FEADMM CCCc1nsc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2CC)n1 ZINC001048643165 675012881 /nfs/dbraw/zinc/01/28/81/675012881.db2.gz BNFAYDWNBXTNOP-NWDGAFQWSA-N -1 1 361.471 2.379 20 0 FEADMM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1cc(F)c(F)cc1F ZINC000564677119 675051167 /nfs/dbraw/zinc/05/11/67/675051167.db2.gz XKDMVWYPFGZUOF-UHFFFAOYSA-N -1 1 359.325 2.354 20 0 FEADMM C[Si](C)(C)c1ccc(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000816524322 675062411 /nfs/dbraw/zinc/06/24/11/675062411.db2.gz AFEDJJZJPVAAAN-UHFFFAOYSA-N -1 1 359.502 2.269 20 0 FEADMM CCC(Nc1ccc(CC)cc1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009770015 669984349 /nfs/dbraw/zinc/98/43/49/669984349.db2.gz DHHUARNZFKDPST-PFONDFGASA-N -1 1 361.467 2.215 20 0 FEADMM CCC(Nc1ccc(N2CCCC2)cc1C)=C1C(=O)[N-]C(=S)NC1=O ZINC000009778550 669984777 /nfs/dbraw/zinc/98/47/77/669984777.db2.gz CGRFLOVIKILNPE-UHFFFAOYSA-N -1 1 358.467 2.202 20 0 FEADMM Cc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)s1 ZINC000024639516 670056392 /nfs/dbraw/zinc/05/63/92/670056392.db2.gz SKEXZGYEIPFUKK-UHFFFAOYSA-N -1 1 372.447 2.267 20 0 FEADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@H](C)n1cccn1 ZINC000030574928 670112012 /nfs/dbraw/zinc/11/20/12/670112012.db2.gz XUQHVUBBLKASJZ-LBPRGKRZSA-N -1 1 355.423 2.337 20 0 FEADMM CC(C)SCC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000031229861 670117843 /nfs/dbraw/zinc/11/78/43/670117843.db2.gz AGSAHTYBLNBUOF-UHFFFAOYSA-N -1 1 361.366 2.229 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)CSCC(=O)[O-])N1CCCCC1 ZINC000564954286 675081207 /nfs/dbraw/zinc/08/12/07/675081207.db2.gz MYTNRTPGUHTPBE-OAHLLOKOSA-N -1 1 366.483 2.156 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000041749433 670150810 /nfs/dbraw/zinc/15/08/10/670150810.db2.gz HBVOQILKPCUYHI-UHFFFAOYSA-N -1 1 368.367 2.484 20 0 FEADMM Cn1c(Cc2csc(NC(=O)CCc3cccnc3)n2)n[n-]c1=S ZINC000045074822 670200017 /nfs/dbraw/zinc/20/00/17/670200017.db2.gz UQDZSGHSMWTPAG-UHFFFAOYSA-N -1 1 360.468 2.491 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CC1 ZINC000048665503 670271180 /nfs/dbraw/zinc/27/11/80/670271180.db2.gz IGXWWGFLLWUYEK-UHFFFAOYSA-N -1 1 357.646 2.204 20 0 FEADMM Cn1cnnc1SCc1ccc(C(=O)N[N-]C(=O)c2cccs2)cc1 ZINC000049950880 670280191 /nfs/dbraw/zinc/28/01/91/670280191.db2.gz RNPIDDGDPXVLGJ-UHFFFAOYSA-N -1 1 373.463 2.244 20 0 FEADMM CCOc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055315866 670349668 /nfs/dbraw/zinc/34/96/68/670349668.db2.gz LKZPVVGILOIIFJ-UHFFFAOYSA-N -1 1 350.396 2.415 20 0 FEADMM COc1cc(OC)c(C[N-]S(=O)(=O)c2c(F)cccc2F)c(OC)c1 ZINC000056104701 670359387 /nfs/dbraw/zinc/35/93/87/670359387.db2.gz HHUCRWMMIWLYAL-UHFFFAOYSA-N -1 1 373.377 2.469 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(CC)no1 ZINC000062482140 670401141 /nfs/dbraw/zinc/40/11/41/670401141.db2.gz TZIQXKGLFDPWGN-UHFFFAOYSA-N -1 1 353.400 2.141 20 0 FEADMM O=C(NCCCNc1ncccn1)c1ccc(Br)cc1[O-] ZINC000066046936 670437389 /nfs/dbraw/zinc/43/73/89/670437389.db2.gz RGYYEVAYHGFHJR-UHFFFAOYSA-N -1 1 351.204 2.177 20 0 FEADMM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1n[n-]c(=S)n1C ZINC000066625586 670445267 /nfs/dbraw/zinc/44/52/67/670445267.db2.gz FHNAGEKSFLHMSP-ZETCQYMHSA-N -1 1 371.806 2.123 20 0 FEADMM CC(C)n1c(CNC(=O)COCCOc2ccccc2)n[n-]c1=S ZINC000066639983 670446196 /nfs/dbraw/zinc/44/61/96/670446196.db2.gz FCFRPIWUMKQRAC-UHFFFAOYSA-N -1 1 350.444 2.233 20 0 FEADMM CCn1c(CNC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)n[n-]c1=S ZINC000067050710 670451905 /nfs/dbraw/zinc/45/19/05/670451905.db2.gz GMYDZQDBFNQGIF-UHFFFAOYSA-N -1 1 369.491 2.414 20 0 FEADMM CCn1c(CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n[n-]c1=S ZINC000067078252 670452907 /nfs/dbraw/zinc/45/29/07/670452907.db2.gz FDVWCWFVGBFHMK-LLVKDONJSA-N -1 1 369.491 2.019 20 0 FEADMM COc1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCN(C)CC1 ZINC000072576999 670496508 /nfs/dbraw/zinc/49/65/08/670496508.db2.gz AHWPDQJOKRWQGS-UHFFFAOYSA-N -1 1 361.467 2.248 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCCCC2)o1 ZINC000073901454 670509995 /nfs/dbraw/zinc/50/99/95/670509995.db2.gz BTESYHVFXTUDGJ-UHFFFAOYSA-N -1 1 352.416 2.142 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc4ccccc4o3)[C@@H]2C1 ZINC000569167023 670519211 /nfs/dbraw/zinc/51/92/11/670519211.db2.gz ZMNSODRBAKYUGD-ARFHVFGLSA-N -1 1 362.451 2.358 20 0 FEADMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(N2CCNC2=O)c1 ZINC000076936085 670556976 /nfs/dbraw/zinc/55/69/76/670556976.db2.gz DEAHKYPQSWUGKK-UHFFFAOYSA-N -1 1 356.407 2.197 20 0 FEADMM Cn1nccc1CCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817294262 675118445 /nfs/dbraw/zinc/11/84/45/675118445.db2.gz QSSKYXDTSWNCTM-CQSZACIVSA-N -1 1 352.360 2.072 20 0 FEADMM COC1(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCCC1 ZINC000569627271 670588426 /nfs/dbraw/zinc/58/84/26/670588426.db2.gz FVFMFDBCKZIVRN-UHFFFAOYSA-N -1 1 355.382 2.067 20 0 FEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H](c2n[n-]c(=S)n2C)C1 ZINC000078622094 670589723 /nfs/dbraw/zinc/58/97/23/670589723.db2.gz TZSRILUOGJQDRV-GWCFXTLKSA-N -1 1 362.503 2.338 20 0 FEADMM CCC[C@H]1CCc2nc(NC(=O)Cc3sc(N)nc3[O-])sc2C1 ZINC000079858726 670612459 /nfs/dbraw/zinc/61/24/59/670612459.db2.gz ILAGNCCZOPYWBV-GZMMTYOYSA-N -1 1 352.485 2.333 20 0 FEADMM O=C([N-]OCC1CC1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000817372241 675126539 /nfs/dbraw/zinc/12/65/39/675126539.db2.gz IEEQGGKVTSDDGU-CYBMUJFWSA-N -1 1 352.818 2.025 20 0 FEADMM O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1[O-] ZINC000570139708 670666569 /nfs/dbraw/zinc/66/65/69/670666569.db2.gz 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671382950 /nfs/dbraw/zinc/38/29/50/671382950.db2.gz SGLZRQWTNVQFIQ-LBPRGKRZSA-N -1 1 353.394 2.207 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)o1 ZINC000609352254 675919603 /nfs/dbraw/zinc/91/96/03/675919603.db2.gz ZCHYEIDBTSAXAK-CYBMUJFWSA-N -1 1 367.423 2.197 20 0 FEADMM O=C([O-])C1(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000577519224 671601985 /nfs/dbraw/zinc/60/19/85/671601985.db2.gz SDBDRSMDFUOMGM-ZDUSSCGKSA-N -1 1 356.344 2.261 20 0 FEADMM C[C@@H]1CC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000577925044 671628746 /nfs/dbraw/zinc/62/87/46/671628746.db2.gz WBQQRACXJZDYLV-KCJUWKMLSA-N -1 1 351.255 2.186 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000578259028 671652206 /nfs/dbraw/zinc/65/22/06/671652206.db2.gz MYTYBJFHBVZAHD-LLVKDONJSA-N -1 1 355.334 2.248 20 0 FEADMM CO[C@H]1CCN(Cc2cc3c(cc2Br)OCO3)[C@H](C(=O)[O-])C1 ZINC000579130697 671714453 /nfs/dbraw/zinc/71/44/53/671714453.db2.gz RCXMNPRFYYYICF-JQWIXIFHSA-N -1 1 372.215 2.242 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3nccn3C)C2)c(F)c1 ZINC000579465511 671737775 /nfs/dbraw/zinc/73/77/75/671737775.db2.gz GRPQOIMDSSDBTR-BXUZGUMPSA-N -1 1 371.409 2.205 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000579516872 671741899 /nfs/dbraw/zinc/74/18/99/671741899.db2.gz FTKPXGCFLHRCPB-UHFFFAOYSA-N -1 1 361.379 2.488 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)OC(C)C)c(=O)[n-]1 ZINC000609843751 675938705 /nfs/dbraw/zinc/93/87/05/675938705.db2.gz QAJLZRMIOGFMAD-ZDUSSCGKSA-N -1 1 367.471 2.088 20 0 FEADMM COc1cc([C@@H](C)[N-]S(=O)(=O)c2c(C)onc2N)ccc1OC(C)C ZINC000580130492 671784503 /nfs/dbraw/zinc/78/45/03/671784503.db2.gz WGCWGUMFJNIONS-SNVBAGLBSA-N -1 1 369.443 2.401 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@@H]1C(=O)[O-] ZINC000581310890 671883766 /nfs/dbraw/zinc/88/37/66/671883766.db2.gz SAAZLLMFBMMNPN-WPRPVWTQSA-N -1 1 367.345 2.142 20 0 FEADMM Cc1nc2n(n1)C[C@H](NC(=O)c1c([O-])cnc3ccc(Cl)cc31)CC2 ZINC000581679125 671924263 /nfs/dbraw/zinc/92/42/63/671924263.db2.gz HYIWTUZZZZIBCT-LLVKDONJSA-N -1 1 357.801 2.239 20 0 FEADMM COc1ccsc1S(=O)(=O)NN=c1c(F)c(F)[n-]c(F)c1F ZINC000120592448 671930216 /nfs/dbraw/zinc/93/02/16/671930216.db2.gz BSJJEZKZCBJNGE-UHFFFAOYSA-N -1 1 357.310 2.014 20 0 FEADMM CC(=O)NCc1ccc(C(=O)Nc2nc(Br)ccc2[O-])s1 ZINC000121540098 671951883 /nfs/dbraw/zinc/95/18/83/671951883.db2.gz CHTQPJOUIQPLJN-UHFFFAOYSA-N -1 1 370.228 2.500 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3CCNC4=O)ccc2O1 ZINC000582228832 671980642 /nfs/dbraw/zinc/98/06/42/671980642.db2.gz XFDLZHLHFNKCCU-LLVKDONJSA-N -1 1 358.419 2.097 20 0 FEADMM COC(=O)Cc1csc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1 ZINC000610473788 675974353 /nfs/dbraw/zinc/97/43/53/675974353.db2.gz WAXCQWAFVQXYLR-UHFFFAOYSA-N -1 1 364.427 2.212 20 0 FEADMM Cc1noc(C)c1CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000150888376 672153864 /nfs/dbraw/zinc/15/38/64/672153864.db2.gz WAMQEMCFHPTDHC-UHFFFAOYSA-N -1 1 357.363 2.250 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C1Cc2ccccc2C1)c1ccccc1F ZINC000610702277 675990173 /nfs/dbraw/zinc/99/01/73/675990173.db2.gz KRVPXWRXHPAZIC-KRWDZBQOSA-N -1 1 363.410 2.127 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1C)c1ccccc1F ZINC000610702730 675990425 /nfs/dbraw/zinc/99/04/25/675990425.db2.gz DVRCMCRWQOVGQA-INIZCTEOSA-N -1 1 351.399 2.468 20 0 FEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000156527852 672247681 /nfs/dbraw/zinc/24/76/81/672247681.db2.gz ARQCNPSSGGAPEP-UHFFFAOYSA-N -1 1 370.862 2.098 20 0 FEADMM Nc1nc([O-])c(CC(=O)NC2(c3ccc(F)cc3F)CCCC2)s1 ZINC000161141368 672295909 /nfs/dbraw/zinc/29/59/09/672295909.db2.gz PWGJWYFDBTYWIK-GFCCVEGCSA-N -1 1 353.394 2.197 20 0 FEADMM CC(=CC(=O)NCCCc1nc(=O)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000174585505 672361847 /nfs/dbraw/zinc/36/18/47/672361847.db2.gz DYZZPIBZOMWWSL-MDZDMXLPSA-N -1 1 354.332 2.269 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COC2(CCCCC2)O1)c1ccc(F)c(F)c1F ZINC000180611214 672416061 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352.263 2.103 20 0 FEADMM CN(c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1)S(C)(=O)=O ZINC000599889029 673726376 /nfs/dbraw/zinc/72/63/76/673726376.db2.gz PYICAVNDCBKJMZ-UHFFFAOYSA-N -1 1 368.842 2.371 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3cc(F)cc(F)c3)no2)co1 ZINC000544990462 673742266 /nfs/dbraw/zinc/74/22/66/673742266.db2.gz ZGMGKBRDTBFVEI-UHFFFAOYSA-N -1 1 355.322 2.107 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743048905 673748135 /nfs/dbraw/zinc/74/81/35/673748135.db2.gz IPJCULYEIOOJAP-VIFPVBQESA-N -1 1 367.818 2.163 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c(O)cccc3F)cc21 ZINC000743260627 673753950 /nfs/dbraw/zinc/75/39/50/673753950.db2.gz GFRQRCSUBKMTCE-UHFFFAOYSA-N -1 1 350.371 2.241 20 0 FEADMM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000600434289 673767921 /nfs/dbraw/zinc/76/79/21/673767921.db2.gz VXDJYFLRSHQTMZ-MFKMUULPSA-N -1 1 371.817 2.142 20 0 FEADMM O=C(NCc1nn[n-]n1)C1(c2ccc(Br)cc2)CCCCC1 ZINC000600496099 673774186 /nfs/dbraw/zinc/77/41/86/673774186.db2.gz QJNBWGYPRYPTEL-UHFFFAOYSA-N -1 1 364.247 2.481 20 0 FEADMM Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2)n1 ZINC000546534668 673802012 /nfs/dbraw/zinc/80/20/12/673802012.db2.gz BTGKFXWMRKXNSS-UHFFFAOYSA-N -1 1 356.407 2.313 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc12 ZINC000546536690 673802247 /nfs/dbraw/zinc/80/22/47/673802247.db2.gz RHYQVFHSOXVCLB-UHFFFAOYSA-N -1 1 365.342 2.423 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)CSCc2ccc(F)cc2)CC1 ZINC000600871950 673804562 /nfs/dbraw/zinc/80/45/62/673804562.db2.gz BUMCVLSOTOAGAV-UHFFFAOYSA-N -1 1 354.447 2.066 20 0 FEADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000547248367 673837977 /nfs/dbraw/zinc/83/79/77/673837977.db2.gz VZLYDTHIRFVTMB-QFIPXVFZSA-N -1 1 353.421 2.095 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000601328994 673843390 /nfs/dbraw/zinc/84/33/90/673843390.db2.gz CVTHNNRCRHJDHR-INIZCTEOSA-N -1 1 363.439 2.191 20 0 FEADMM C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000745626870 673843817 /nfs/dbraw/zinc/84/38/17/673843817.db2.gz ZTJMMDICFYPTRD-ZETCQYMHSA-N -1 1 369.242 2.286 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H]2CNc3ccccc32)o1 ZINC000601345444 673845807 /nfs/dbraw/zinc/84/58/07/673845807.db2.gz SYJHKDCJXKIIHH-LBPRGKRZSA-N -1 1 364.423 2.334 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(F)F)c1ccc(F)c(C)c1 ZINC000601393501 673854494 /nfs/dbraw/zinc/85/44/94/673854494.db2.gz CMTSUIZSTVVPPX-LBPRGKRZSA-N -1 1 353.362 2.313 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601663145 673892369 /nfs/dbraw/zinc/89/23/69/673892369.db2.gz YVYQZSYXQVHNDP-ZDUSSCGKSA-N -1 1 355.818 2.157 20 0 FEADMM COC(=O)[C@@]1(C)CN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1C ZINC000601700881 673895290 /nfs/dbraw/zinc/89/52/90/673895290.db2.gz IELHMZFYYQBVNT-VFZGTOFNSA-N -1 1 356.216 2.426 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C ZINC000747375803 673924785 /nfs/dbraw/zinc/92/47/85/673924785.db2.gz SFMSQBWIJHMPJC-VIFPVBQESA-N -1 1 370.475 2.246 20 0 FEADMM CN(CCn1cc(Br)cn1)C(=O)c1c(F)ccc([O-])c1F ZINC000567091019 675265942 /nfs/dbraw/zinc/26/59/42/675265942.db2.gz FIQPKLOHTVPHMX-UHFFFAOYSA-N -1 1 360.158 2.402 20 0 FEADMM O=C([N-]CC1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1)C(F)(F)F ZINC000819980688 675328704 /nfs/dbraw/zinc/32/87/04/675328704.db2.gz VHCFJOGWPBTMGJ-CYBMUJFWSA-N -1 1 355.360 2.029 20 0 FEADMM Cc1c(F)cc(S(=O)(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1C(=O)[O-] ZINC000568006606 675343393 /nfs/dbraw/zinc/34/33/93/675343393.db2.gz KWACMARVHUNSLS-HNNXBMFYSA-N -1 1 372.462 2.231 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OC2CCN(CC(F)F)CC2)c1 ZINC000820550869 675369362 /nfs/dbraw/zinc/36/93/62/675369362.db2.gz MZDZZGMSHGHXGK-DEOSSOPVSA-N -1 1 361.410 2.076 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc3c(s2)CCCC3)o1 ZINC000615757312 676226335 /nfs/dbraw/zinc/22/63/35/676226335.db2.gz PCACVLBZXTZSKD-UHFFFAOYSA-N -1 1 354.453 2.058 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(F)c1 ZINC000568692403 675392295 /nfs/dbraw/zinc/39/22/95/675392295.db2.gz VMDMFHJCFBZDQT-UHFFFAOYSA-N -1 1 367.280 2.155 20 0 FEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)cc1 ZINC000821145407 675418256 /nfs/dbraw/zinc/41/82/56/675418256.db2.gz XKFCUVJGMSTFFM-UHFFFAOYSA-N -1 1 365.798 2.310 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000821177921 675420138 /nfs/dbraw/zinc/42/01/38/675420138.db2.gz MAYOSHWPVUDTQB-AWEZNQCLSA-N -1 1 368.411 2.340 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000821199114 675421091 /nfs/dbraw/zinc/42/10/91/675421091.db2.gz UGIJMIAZLGCKEF-UHFFFAOYSA-N -1 1 354.342 2.037 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2nnc(C3CC3)s2)c1 ZINC000821351388 675428934 /nfs/dbraw/zinc/42/89/34/675428934.db2.gz BKFNSSVCTDKUBQ-HSZRJFAPSA-N -1 1 352.437 2.275 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCCCC(=O)N2CCCCC2)c1 ZINC000821353045 675429212 /nfs/dbraw/zinc/42/92/12/675429212.db2.gz PPOZOHUWPWLLOR-RUZDIDTESA-N -1 1 367.467 2.139 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)c1 ZINC000821358073 675429836 /nfs/dbraw/zinc/42/98/36/675429836.db2.gz GFJAJDPDULONLG-HWRSSNJWSA-N -1 1 369.483 2.380 20 0 FEADMM Cc1cc(-c2nn[nH]n2)cc(C)c1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000822135896 675470352 /nfs/dbraw/zinc/47/03/52/675470352.db2.gz GNJYMHRVWNERFE-UHFFFAOYSA-N -1 1 362.415 2.098 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc2c1OCC2 ZINC000824346927 675596931 /nfs/dbraw/zinc/59/69/31/675596931.db2.gz YVJYQUCIOOBKOW-ZWNOBZJWSA-N -1 1 356.344 2.293 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825218773 675642442 /nfs/dbraw/zinc/64/24/42/675642442.db2.gz FKJBISVGWAPUOV-GFCCVEGCSA-N -1 1 358.427 2.303 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825218773 675642444 /nfs/dbraw/zinc/64/24/44/675642444.db2.gz FKJBISVGWAPUOV-GFCCVEGCSA-N -1 1 358.427 2.303 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(SC(C)(C)C)c2)n1 ZINC000826357748 675687368 /nfs/dbraw/zinc/68/73/68/675687368.db2.gz POOWGHLFQIGJRO-UHFFFAOYSA-N -1 1 358.431 2.138 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(SC(C)(C)C)c2)n1 ZINC000826357748 675687370 /nfs/dbraw/zinc/68/73/70/675687370.db2.gz POOWGHLFQIGJRO-UHFFFAOYSA-N -1 1 358.431 2.138 20 0 FEADMM O[C@H](CCc1ccccc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826502761 675689673 /nfs/dbraw/zinc/68/96/73/675689673.db2.gz KDQTXXNAVIUCRD-SNVBAGLBSA-N -1 1 350.835 2.382 20 0 FEADMM O[C@H](CCc1ccccc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826502761 675689675 /nfs/dbraw/zinc/68/96/75/675689675.db2.gz KDQTXXNAVIUCRD-SNVBAGLBSA-N -1 1 350.835 2.382 20 0 FEADMM C[C@H](c1nc(N)nc(Cl)n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000828114047 675799803 /nfs/dbraw/zinc/79/98/03/675799803.db2.gz VLSVLCATCQETQY-SNVBAGLBSA-N -1 1 361.833 2.469 20 0 FEADMM O=C(Nc1c([O-])cccc1F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000605438074 675815008 /nfs/dbraw/zinc/81/50/08/675815008.db2.gz CGJGYNAGCZENNK-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM O=C(Nc1c([O-])cccc1F)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000605440089 675815182 /nfs/dbraw/zinc/81/51/82/675815182.db2.gz KBQNOXGKMAUQOA-UHFFFAOYSA-N -1 1 364.398 2.472 20 0 FEADMM CC(C)N1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000606457319 675833802 /nfs/dbraw/zinc/83/38/02/675833802.db2.gz LYGGOUVFWWEISP-SSDOTTSWSA-N -1 1 357.284 2.343 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000608343635 675889211 /nfs/dbraw/zinc/88/92/11/675889211.db2.gz SXCPXWGJCSWGDE-UHFFFAOYSA-N -1 1 365.411 2.191 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)Cc2ccccc2Cl)n[n-]1 ZINC000616028375 676237228 /nfs/dbraw/zinc/23/72/28/676237228.db2.gz BVIFBPWDQMLIAD-JTQLQIEISA-N -1 1 350.806 2.130 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)Cc2ccccc2Cl)n1 ZINC000616028375 676237229 /nfs/dbraw/zinc/23/72/29/676237229.db2.gz BVIFBPWDQMLIAD-JTQLQIEISA-N -1 1 350.806 2.130 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CC2CCC(C(F)(F)F)CC2)n[n-]1 ZINC000616176257 676241625 /nfs/dbraw/zinc/24/16/25/676241625.db2.gz TVNRFRTWRLNRIY-UHFFFAOYSA-N -1 1 362.352 2.356 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CC2CCC(C(F)(F)F)CC2)n1 ZINC000616176257 676241629 /nfs/dbraw/zinc/24/16/29/676241629.db2.gz TVNRFRTWRLNRIY-UHFFFAOYSA-N -1 1 362.352 2.356 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccnc1N1CCCC1 ZINC000617483902 676287619 /nfs/dbraw/zinc/28/76/19/676287619.db2.gz GGWFDUQGKIMBHZ-UHFFFAOYSA-N -1 1 359.455 2.138 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)co1 ZINC000619099954 676363595 /nfs/dbraw/zinc/36/35/95/676363595.db2.gz ATKMEZUCWVZLDM-CHWSQXEVSA-N -1 1 370.471 2.044 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2N)c1 ZINC000619855811 676397347 /nfs/dbraw/zinc/39/73/47/676397347.db2.gz QLOSWXZUOGZDIZ-UHFFFAOYSA-N -1 1 350.396 2.255 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)co1 ZINC000621183735 676444527 /nfs/dbraw/zinc/44/45/27/676444527.db2.gz DXFDGFVIKIDLFC-LLVKDONJSA-N -1 1 364.423 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ZINC000907350016 691459322 /nfs/dbraw/zinc/45/93/22/691459322.db2.gz KWNYVFVYPLRFOW-MRVPVSSYSA-N -1 1 356.199 2.285 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(Cn2cc(Cl)cn2)s1)c1nn[n-]n1 ZINC000907349296 691459397 /nfs/dbraw/zinc/45/93/97/691459397.db2.gz DRNFDRIPOREXCJ-VIFPVBQESA-N -1 1 365.850 2.035 20 0 FEADMM C[C@H](CSCc1ccccc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907472748 691492335 /nfs/dbraw/zinc/49/23/35/691492335.db2.gz CESPNZLPJWLTPP-OCCSQVGLSA-N -1 1 363.512 2.386 20 0 FEADMM CCCCc1nc(C)c(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)s1 ZINC000907477086 691495441 /nfs/dbraw/zinc/49/54/41/691495441.db2.gz PRNQFZYERIKYJA-LLVKDONJSA-N -1 1 366.516 2.166 20 0 FEADMM O=C(Cc1cc2cc(Cl)ccc2[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479609 691496951 /nfs/dbraw/zinc/49/69/51/691496951.db2.gz GHSKJKHZEJORRM-ZDUSSCGKSA-N -1 1 362.846 2.194 20 0 FEADMM Cc1nc(Cl)c(Cl)cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481477 691497808 /nfs/dbraw/zinc/49/78/08/691497808.db2.gz WPKZJPFHNAWORS-SECBINFHSA-N -1 1 359.242 2.140 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCSC(C)(C)C2)c(C(F)(F)F)n1 ZINC000907752666 691553756 /nfs/dbraw/zinc/55/37/56/691553756.db2.gz SBYJCLUEAPZCJU-MRVPVSSYSA-N -1 1 357.423 2.391 20 0 FEADMM CCc1cccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)c1 ZINC000908015705 691598791 /nfs/dbraw/zinc/59/87/91/691598791.db2.gz DOKNTGFDABPXJC-CQSZACIVSA-N -1 1 363.439 2.279 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)CC2CC3(CCC3)C2)[n-]c1=O ZINC000908018430 691599566 /nfs/dbraw/zinc/59/95/66/691599566.db2.gz IPYTVVTZPSLDIX-CYBMUJFWSA-N -1 1 367.471 2.238 20 0 FEADMM COC(=O)C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000908470150 691685730 /nfs/dbraw/zinc/68/57/30/691685730.db2.gz LOWFEJAGQOBWQS-BDAKNGLRSA-N -1 1 367.254 2.399 20 0 FEADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1)CCC2 ZINC000908800194 691732630 /nfs/dbraw/zinc/73/26/30/691732630.db2.gz OPRKBDHJINYCOT-JSGCOSHPSA-N -1 1 351.472 2.084 20 0 FEADMM Cc1ccc([C@@H]2CSCCN2C(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000908804970 691732861 /nfs/dbraw/zinc/73/28/61/691732861.db2.gz ZIXWQJANBZWOFK-IRXDYDNUSA-N -1 1 362.495 2.408 20 0 FEADMM O=C([O-])C[C@@H](NC(=O)CN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000908858993 691741934 /nfs/dbraw/zinc/74/19/34/691741934.db2.gz YPMIZWKUYHRFMZ-CYBMUJFWSA-N -1 1 360.332 2.313 20 0 FEADMM O=C([O-])CC1(NC(=O)C2CCC(N3CCOCC3)CC2)CCCCC1 ZINC000909058446 691772974 /nfs/dbraw/zinc/77/29/74/691772974.db2.gz GTFATAKHDIGCJE-UHFFFAOYSA-N -1 1 352.475 2.171 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)C1 ZINC000909397628 691817616 /nfs/dbraw/zinc/81/76/16/691817616.db2.gz YBLQCSLOBZMLIM-LLVKDONJSA-N -1 1 360.332 2.363 20 0 FEADMM Cc1ccc(OC(F)F)c(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000909728353 691849314 /nfs/dbraw/zinc/84/93/14/691849314.db2.gz HBNWTRMMXBHTHF-LBPRGKRZSA-N -1 1 356.369 2.009 20 0 FEADMM O=C([O-])CN(Cc1cccc(Br)c1)C(=O)CCc1cnc[nH]1 ZINC000909807882 691858135 /nfs/dbraw/zinc/85/81/35/691858135.db2.gz WMOOFZYWFYMVBU-UHFFFAOYSA-N -1 1 366.215 2.218 20 0 FEADMM CN(CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)[C@H]1CCSC1 ZINC000909951327 691875938 /nfs/dbraw/zinc/87/59/38/691875938.db2.gz PLTSCUFHUNKLNG-CVEARBPZSA-N -1 1 362.495 2.358 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000910172357 691896545 /nfs/dbraw/zinc/89/65/45/691896545.db2.gz AZZBDJKYCOSEIR-SECBINFHSA-N -1 1 360.241 2.197 20 0 FEADMM Cc1sc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nc1C(C)C ZINC000910175016 691896766 /nfs/dbraw/zinc/89/67/66/691896766.db2.gz JRYMEFOEQSLEBI-LBPRGKRZSA-N -1 1 353.488 2.125 20 0 FEADMM CC[C@H](CSc1ccccc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910250957 691906532 /nfs/dbraw/zinc/90/65/32/691906532.db2.gz PQVSEEHLLDROFA-LSDHHAIUSA-N -1 1 350.484 2.470 20 0 FEADMM CN(CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])[C@H]1CCSC1 ZINC000910314638 691915039 /nfs/dbraw/zinc/91/50/39/691915039.db2.gz LAHGNRQXODULKL-YOEHRIQHSA-N -1 1 370.902 2.279 20 0 FEADMM CCC1CCC(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)(C(=O)[O-])CC1 ZINC000908770035 939317504 /nfs/dbraw/zinc/31/75/04/939317504.db2.gz ICXVFNLTBJXEEO-JOUKPKRSSA-N -1 1 369.506 2.209 20 0 FEADMM C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230909657 548762786 /nfs/dbraw/zinc/76/27/86/548762786.db2.gz NBCUWBRWXCBLKK-ISVAXAHUSA-N -1 1 361.179 2.294 20 0 FEADMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)CO2 ZINC000549377573 674037599 /nfs/dbraw/zinc/03/75/99/674037599.db2.gz MAMCPRYCOAOSMA-JTQLQIEISA-N -1 1 361.345 2.159 20 0 FEADMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2NC1=O ZINC000007729431 539464515 /nfs/dbraw/zinc/46/45/15/539464515.db2.gz XCQAMNPKJFYOAH-QMMMGPOBSA-N -1 1 354.334 2.485 20 0 FEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000014225045 539600054 /nfs/dbraw/zinc/60/00/54/539600054.db2.gz YBHIFDUNBYNRIV-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000016126481 539627760 /nfs/dbraw/zinc/62/77/60/539627760.db2.gz LTILMPNOSQPEOB-UHFFFAOYSA-N -1 1 362.407 2.008 20 0 FEADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000016129999 539628347 /nfs/dbraw/zinc/62/83/47/539628347.db2.gz KBUSOVCRBUPLRQ-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000021868719 539687827 /nfs/dbraw/zinc/68/78/27/539687827.db2.gz RUMDVUPYQGZQPZ-UHFFFAOYSA-N -1 1 366.351 2.411 20 0 FEADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000022410049 539694784 /nfs/dbraw/zinc/69/47/84/539694784.db2.gz OFDIOASFOFECQG-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000024431443 539731290 /nfs/dbraw/zinc/73/12/90/539731290.db2.gz DVWFSMYZLVOKRX-UHFFFAOYSA-N -1 1 360.435 2.230 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc[nH]n3)ccc2C)cc1 ZINC000026261070 539782503 /nfs/dbraw/zinc/78/25/03/539782503.db2.gz VVKAEALWZOJHMI-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1OC ZINC000026537631 539789113 /nfs/dbraw/zinc/78/91/13/539789113.db2.gz WPDWHLCWAYPONU-UHFFFAOYSA-N -1 1 365.411 2.304 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)o1 ZINC000027167125 539802294 /nfs/dbraw/zinc/80/22/94/539802294.db2.gz JKOXCAPJJRGYLV-JTQLQIEISA-N -1 1 354.453 2.401 20 0 FEADMM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000028254681 539829247 /nfs/dbraw/zinc/82/92/47/539829247.db2.gz RHMDCHGBJWJKDE-UHFFFAOYSA-N -1 1 362.382 2.276 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2nccn2C(F)F)c(=O)[n-]1 ZINC000029183202 539846174 /nfs/dbraw/zinc/84/61/74/539846174.db2.gz APPLUTJPGJGPOI-UHFFFAOYSA-N -1 1 371.413 2.395 20 0 FEADMM O=C(CC[C@@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000028883935 539839297 /nfs/dbraw/zinc/83/92/97/539839297.db2.gz XYLKSFPKEOFQDH-ZDUSSCGKSA-N -1 1 368.455 2.074 20 0 FEADMM COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(S(C)(=O)=O)cc3)c2)c1 ZINC000029255975 539848792 /nfs/dbraw/zinc/84/87/92/539848792.db2.gz WOIJOTCFJMLLAG-UHFFFAOYSA-N -1 1 372.402 2.221 20 0 FEADMM COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1[N-]S(C)(=O)=O ZINC000029967913 539870876 /nfs/dbraw/zinc/87/08/76/539870876.db2.gz AYSHLDFWJQCADJ-UHFFFAOYSA-N -1 1 364.379 2.048 20 0 FEADMM O=C(NCCNC(=O)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000030699476 539889938 /nfs/dbraw/zinc/88/99/38/539889938.db2.gz USCFBZMMFIVNOB-UHFFFAOYSA-N -1 1 363.211 2.315 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1C(N)=O ZINC000032086856 539927914 /nfs/dbraw/zinc/92/79/14/539927914.db2.gz ZWAITHYYDGFKQH-UHFFFAOYSA-N -1 1 359.407 2.385 20 0 FEADMM CCOCCOCc1cccc(C[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000032471259 539941127 /nfs/dbraw/zinc/94/11/27/539941127.db2.gz RXYLDCDOQCIEGQ-UHFFFAOYSA-N -1 1 368.455 2.323 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3c2OCO3)c(F)cc1F ZINC000800833846 674080402 /nfs/dbraw/zinc/08/04/02/674080402.db2.gz JIFNYQCDITZVIK-UHFFFAOYSA-N -1 1 370.333 2.453 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000035685676 539983839 /nfs/dbraw/zinc/98/38/39/539983839.db2.gz PRCQPIHVJKADSD-UHFFFAOYSA-N -1 1 360.391 2.112 20 0 FEADMM O=S(=O)([N-]CCc1cc(F)cc2c1OCOC2)c1cc(F)ccc1F ZINC000041629753 540028575 /nfs/dbraw/zinc/02/85/75/540028575.db2.gz CUALNRTWOBPOSC-UHFFFAOYSA-N -1 1 373.352 2.491 20 0 FEADMM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)n1cncn1 ZINC000047119197 540290767 /nfs/dbraw/zinc/29/07/67/540290767.db2.gz LHVXBSQTESLSFD-CYBMUJFWSA-N -1 1 371.422 2.279 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)o1 ZINC000048153478 540347651 /nfs/dbraw/zinc/34/76/51/540347651.db2.gz LMDYUIAPGNMMTM-UHFFFAOYSA-N -1 1 370.377 2.271 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c(C)c1 ZINC000050531465 540407086 /nfs/dbraw/zinc/40/70/86/540407086.db2.gz PTSWTEFUVGISTI-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM COC(=O)c1cccc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000054585578 540596819 /nfs/dbraw/zinc/59/68/19/540596819.db2.gz LOSIAELJINKKBY-UHFFFAOYSA-N -1 1 362.407 2.125 20 0 FEADMM CCc1nc(CC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)cs1 ZINC000055224358 540637522 /nfs/dbraw/zinc/63/75/22/540637522.db2.gz UDKOSKYRFNQDJK-UHFFFAOYSA-N -1 1 369.468 2.267 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000055555369 540658616 /nfs/dbraw/zinc/65/86/16/540658616.db2.gz GIWLXGLXGBNNMM-UHFFFAOYSA-N -1 1 354.378 2.444 20 0 FEADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1 ZINC000057123634 540769992 /nfs/dbraw/zinc/76/99/92/540769992.db2.gz AAQUZIGYVQVPSA-LBPRGKRZSA-N -1 1 365.455 2.363 20 0 FEADMM COCCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000057126086 540770148 /nfs/dbraw/zinc/77/01/48/540770148.db2.gz UOBHDKHBWAIJBO-UHFFFAOYSA-N -1 1 351.380 2.211 20 0 FEADMM COCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000057289327 540785996 /nfs/dbraw/zinc/78/59/96/540785996.db2.gz FVAPGEHRRSTPRM-UHFFFAOYSA-N -1 1 370.814 2.431 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000057784266 540815014 /nfs/dbraw/zinc/81/50/14/540815014.db2.gz FQLXVITVLYCVTA-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1 ZINC000058496454 540845820 /nfs/dbraw/zinc/84/58/20/540845820.db2.gz GXUSLXDPKVBJLK-UHFFFAOYSA-N -1 1 367.448 2.235 20 0 FEADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccn2c(=O)[nH]nc12 ZINC000538686645 540880703 /nfs/dbraw/zinc/88/07/03/540880703.db2.gz GGSFPEPZZSGZIA-UHFFFAOYSA-N -1 1 356.292 2.356 20 0 FEADMM COc1ccc(NC(=O)[C@H](OC)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000061353883 541128898 /nfs/dbraw/zinc/12/88/98/541128898.db2.gz HKIOHOHXWNAPRH-MRXNPFEDSA-N -1 1 364.423 2.393 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000062930682 541155473 /nfs/dbraw/zinc/15/54/73/541155473.db2.gz JPCOWNQDGDSAKB-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1sc([C@@H](C)OC)nc1C ZINC000541271705 541178907 /nfs/dbraw/zinc/17/89/07/541178907.db2.gz CFZVTXKFKWCVKN-SECBINFHSA-N -1 1 352.416 2.321 20 0 FEADMM COc1ccc(CCC[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1OC ZINC000064938468 541221339 /nfs/dbraw/zinc/22/13/39/541221339.db2.gz JXQWJQMYWZRISF-UHFFFAOYSA-N -1 1 373.862 2.002 20 0 FEADMM O=C(NC1CC1)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000066048628 541279861 /nfs/dbraw/zinc/27/98/61/541279861.db2.gz CYRQTNSUPPBZCZ-UHFFFAOYSA-N -1 1 367.243 2.286 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)n[n-]c1=S ZINC000066640711 541352282 /nfs/dbraw/zinc/35/22/82/541352282.db2.gz SHZMRUOHTOVWSP-JHJVBQTASA-N -1 1 365.503 2.175 20 0 FEADMM CCCC(=O)N1CCC[C@@H](C(=O)NCc2n[n-]c(=S)n2C(C)C)C1 ZINC000066639655 541352336 /nfs/dbraw/zinc/35/23/36/541352336.db2.gz MUXYTJQNMKPRCZ-GFCCVEGCSA-N -1 1 353.492 2.176 20 0 FEADMM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637486 541353075 /nfs/dbraw/zinc/35/30/75/541353075.db2.gz BDDAAHJHDFASSZ-JTQLQIEISA-N -1 1 355.464 2.195 20 0 FEADMM CC(C)n1c(CNC(=O)c2cccc(C[S@](C)=O)c2)n[n-]c1=S ZINC000066650195 541355527 /nfs/dbraw/zinc/35/55/27/541355527.db2.gz TYZFSQSUNDJGCW-HSZRJFAPSA-N -1 1 352.485 2.330 20 0 FEADMM Cn1c(CNC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)n[n-]c1=S ZINC000067050265 541410652 /nfs/dbraw/zinc/41/06/52/541410652.db2.gz NEADGGNSBQXRSH-UHFFFAOYSA-N -1 1 369.491 2.321 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)n[n-]c1=S ZINC000067050733 541410963 /nfs/dbraw/zinc/41/09/63/541410963.db2.gz KGICLQNGMMLUME-CYBMUJFWSA-N -1 1 374.470 2.273 20 0 FEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000067124280 541420513 /nfs/dbraw/zinc/42/05/13/541420513.db2.gz KKBDKFKAMBKECG-UHFFFAOYSA-N -1 1 374.397 2.343 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1Cl ZINC000068075453 541544182 /nfs/dbraw/zinc/54/41/82/541544182.db2.gz AKGUHXHNKZJPTG-UHFFFAOYSA-N -1 1 352.799 2.270 20 0 FEADMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068075842 541544301 /nfs/dbraw/zinc/54/43/01/541544301.db2.gz KFHYHHFXNLFFOY-UHFFFAOYSA-N -1 1 360.435 2.148 20 0 FEADMM Cc1n[nH]cc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000068271387 541570733 /nfs/dbraw/zinc/57/07/33/541570733.db2.gz DYMLVTQVZCJWEP-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)O)cc2)c1C ZINC000098075763 209204337 /nfs/dbraw/zinc/20/43/37/209204337.db2.gz XYIHQAVXOOOSBD-ZDUSSCGKSA-N -1 1 362.451 2.215 20 0 FEADMM CCc1nc([C@@H]2CCCN(C(=O)c3nc4ccccc4c(=O)[n-]3)C2)no1 ZINC000069219398 541669185 /nfs/dbraw/zinc/66/91/85/541669185.db2.gz ULXDKJFECNFJEM-LLVKDONJSA-N -1 1 353.382 2.301 20 0 FEADMM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000070937693 541753133 /nfs/dbraw/zinc/75/31/33/541753133.db2.gz PJTNHFKDNRLEAG-VIFPVBQESA-N -1 1 369.443 2.452 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cc1C ZINC000070953541 541754840 /nfs/dbraw/zinc/75/48/40/541754840.db2.gz BXPKDFITVJTLIL-UHFFFAOYSA-N -1 1 360.435 2.399 20 0 FEADMM Cc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000097098964 209169389 /nfs/dbraw/zinc/16/93/89/209169389.db2.gz BYRJCGHVJQLRKL-UHFFFAOYSA-N -1 1 370.453 2.361 20 0 FEADMM COc1nc2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2s1 ZINC000551114347 674124974 /nfs/dbraw/zinc/12/49/74/674124974.db2.gz KPYCUPPCEPMKIJ-UHFFFAOYSA-N -1 1 363.420 2.205 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@@H](O)C(F)(F)F ZINC000551160641 674127472 /nfs/dbraw/zinc/12/74/72/674127472.db2.gz QXIIDMDTRZIWHA-GXSJLCMTSA-N -1 1 358.382 2.093 20 0 FEADMM CO[C@]1(C)C[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000073269064 541938218 /nfs/dbraw/zinc/93/82/18/541938218.db2.gz DQYTYBIUEAFZKP-MGPUTAFESA-N -1 1 370.453 2.003 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3C)s2)o1 ZINC000073898205 542011951 /nfs/dbraw/zinc/01/19/51/542011951.db2.gz UCFALWDBYDGTGV-UHFFFAOYSA-N -1 1 351.409 2.358 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)o1 ZINC000073913761 542013844 /nfs/dbraw/zinc/01/38/44/542013844.db2.gz USOBTCQXWPVVEF-LLVKDONJSA-N -1 1 352.412 2.030 20 0 FEADMM CC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C1CCOCC1 ZINC000074416465 542080667 /nfs/dbraw/zinc/08/06/67/542080667.db2.gz AIDLTKCZUYXTSJ-INIZCTEOSA-N -1 1 360.458 2.306 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC2(COC(=O)N2)CC1 ZINC000801643318 674141477 /nfs/dbraw/zinc/14/14/77/674141477.db2.gz PBXKHNCLOKBNCD-UHFFFAOYSA-N -1 1 361.785 2.308 20 0 FEADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1Cl ZINC000076936002 542331596 /nfs/dbraw/zinc/33/15/96/542331596.db2.gz HJNCIHFJKLJWAT-GFCCVEGCSA-N -1 1 360.863 2.353 20 0 FEADMM O=S(=O)([N-]Cc1nc(-c2ccncc2)no1)c1cc(Cl)ccc1F ZINC000551521419 674149005 /nfs/dbraw/zinc/14/90/05/674149005.db2.gz CLNYAAHNMLPMJS-UHFFFAOYSA-N -1 1 368.777 2.403 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)c([O-])c1 ZINC000079832381 542544102 /nfs/dbraw/zinc/54/41/02/542544102.db2.gz XJESLXZNMBENDZ-UHFFFAOYSA-N -1 1 351.362 2.258 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000080947470 542618046 /nfs/dbraw/zinc/61/80/46/542618046.db2.gz CERHORUVXHHAPQ-VXGBXAGGSA-N -1 1 358.467 2.035 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C(C)C)n[n-]1 ZINC000086170749 542735020 /nfs/dbraw/zinc/73/50/20/542735020.db2.gz IXMDVEPYAMBQIX-LLVKDONJSA-N -1 1 350.444 2.291 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000092963451 542899025 /nfs/dbraw/zinc/89/90/25/542899025.db2.gz FHBUMJBEXQLOSM-LBPRGKRZSA-N -1 1 357.410 2.387 20 0 FEADMM O=C(CN1CCC[C@H](c2nnc3ccccn32)C1)[N-]OCc1ccccc1 ZINC000093175026 542915713 /nfs/dbraw/zinc/91/57/13/542915713.db2.gz LJVMQNVFKXDVOG-KRWDZBQOSA-N -1 1 365.437 2.157 20 0 FEADMM C[C@H](O)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000097374760 543011174 /nfs/dbraw/zinc/01/11/74/543011174.db2.gz RVVVIRFPBIWBRQ-VIFPVBQESA-N -1 1 350.321 2.033 20 0 FEADMM CCCNC(=O)C1([N-]S(=O)(=O)c2cccc(F)c2F)CCCCC1 ZINC000102412019 543069260 /nfs/dbraw/zinc/06/92/60/543069260.db2.gz XVRYCPXVDNNBLK-UHFFFAOYSA-N -1 1 360.426 2.472 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)Cc2cccc(F)c2)C2CCOCC2)n1 ZINC000551888825 674169271 /nfs/dbraw/zinc/16/92/71/674169271.db2.gz NRGBCIBYVCKMPN-OAHLLOKOSA-N -1 1 369.418 2.104 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)c1ccccc1 ZINC000103941838 543118658 /nfs/dbraw/zinc/11/86/58/543118658.db2.gz ADJUUWWOAHQOIA-UHFFFAOYSA-N -1 1 352.438 2.276 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(-n3ccnn3)cc2)c1 ZINC000104386328 543130534 /nfs/dbraw/zinc/13/05/34/543130534.db2.gz KFRPHGFTOJZNGC-UHFFFAOYSA-N -1 1 371.422 2.200 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@H](C)N1CCOCC1 ZINC000104759254 543142421 /nfs/dbraw/zinc/14/24/21/543142421.db2.gz IGGGFJZWOKGZQW-IUCAKERBSA-N -1 1 373.327 2.442 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1cc(F)ccc1F ZINC000104561269 543134959 /nfs/dbraw/zinc/13/49/59/543134959.db2.gz BZEZVYLUEIUWPH-UHFFFAOYSA-N -1 1 358.348 2.347 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cc2ccccc2o1 ZINC000104851766 543147281 /nfs/dbraw/zinc/14/72/81/543147281.db2.gz IRSCMUXHZFBMQD-UHFFFAOYSA-N -1 1 350.378 2.245 20 0 FEADMM CC[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104897290 543149454 /nfs/dbraw/zinc/14/94/54/543149454.db2.gz WWMAJILAGFJSOA-INIZCTEOSA-N -1 1 352.438 2.319 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)o1 ZINC000107700723 543276180 /nfs/dbraw/zinc/27/61/80/543276180.db2.gz MDWKFXJLEUZHGL-UHFFFAOYSA-N -1 1 372.468 2.341 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)o1 ZINC000107698888 543276350 /nfs/dbraw/zinc/27/63/50/543276350.db2.gz NSWKCMMMJZMIJE-UHFFFAOYSA-N -1 1 355.334 2.466 20 0 FEADMM C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592996 543296890 /nfs/dbraw/zinc/29/68/90/543296890.db2.gz PZUMLDRVFJXQPP-NSHDSACASA-N -1 1 356.492 2.004 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc2c[nH]nc2c1)c1ccccc1 ZINC000551933657 674174305 /nfs/dbraw/zinc/17/43/05/674174305.db2.gz BIKWPPFJROLOFG-HNNXBMFYSA-N -1 1 359.407 2.261 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000802311927 674176812 /nfs/dbraw/zinc/17/68/12/674176812.db2.gz RTVOUAJQRLOIKP-CYBMUJFWSA-N -1 1 351.200 2.322 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cnn(C(C)C)c1)c1ccccc1 ZINC000552017474 674182243 /nfs/dbraw/zinc/18/22/43/674182243.db2.gz LPBSKGFMXQRAHI-HNNXBMFYSA-N -1 1 351.428 2.163 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116202180 543604531 /nfs/dbraw/zinc/60/45/31/543604531.db2.gz WOROIHGGZPOCKK-VXGBXAGGSA-N -1 1 372.375 2.338 20 0 FEADMM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000116356492 543607218 /nfs/dbraw/zinc/60/72/18/543607218.db2.gz ITVVVPDYNWKPIZ-DGCLKSJQSA-N -1 1 360.426 2.327 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1F ZINC000121617467 543697050 /nfs/dbraw/zinc/69/70/50/543697050.db2.gz HZFLMOUIIWVCQK-UHFFFAOYSA-N -1 1 350.371 2.154 20 0 FEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2ccc(-c3ccccc3F)o2)n1 ZINC000118747826 543657739 /nfs/dbraw/zinc/65/77/39/543657739.db2.gz OTEKGAGYKGOGOF-UHFFFAOYSA-N -1 1 365.342 2.266 20 0 FEADMM CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000123758424 543781258 /nfs/dbraw/zinc/78/12/58/543781258.db2.gz IQXGRCJZLDDWJJ-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1cc(C)ccc1C ZINC000124249372 543809331 /nfs/dbraw/zinc/80/93/31/543809331.db2.gz JKLWAKYESDQLJX-ZDUSSCGKSA-N -1 1 353.430 2.186 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCc2occc21 ZINC000124972737 543853749 /nfs/dbraw/zinc/85/37/49/543853749.db2.gz MEMWGQLBDQJOAY-INIZCTEOSA-N -1 1 364.405 2.470 20 0 FEADMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000127153873 543975494 /nfs/dbraw/zinc/97/54/94/543975494.db2.gz WQVCOABNFJDBIU-UHFFFAOYSA-N -1 1 374.344 2.113 20 0 FEADMM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127213613 543978664 /nfs/dbraw/zinc/97/86/64/543978664.db2.gz LDIAUMNAPIAKHU-NEPJUHHUSA-N -1 1 362.455 2.030 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)c(=O)[n-]1 ZINC000128160790 544036354 /nfs/dbraw/zinc/03/63/54/544036354.db2.gz UATKKZODOBSRRL-INIZCTEOSA-N -1 1 373.478 2.049 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2)co1 ZINC000129241104 544099850 /nfs/dbraw/zinc/09/98/50/544099850.db2.gz KDACNHNFDMSFHW-MRXNPFEDSA-N -1 1 360.391 2.300 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2o1 ZINC000129687407 544123102 /nfs/dbraw/zinc/12/31/02/544123102.db2.gz JWLIEOFIGAPLMZ-UHFFFAOYSA-N -1 1 366.420 2.341 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCN(CC(F)(F)F)C3)cnc2n1 ZINC000130265106 544144683 /nfs/dbraw/zinc/14/46/83/544144683.db2.gz MWYUKGJYMFOMST-JTQLQIEISA-N -1 1 354.332 2.010 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N[C@H]3CCN(CC(F)(F)F)C3)c[n-]c2n1 ZINC000130265106 544144686 /nfs/dbraw/zinc/14/46/86/544144686.db2.gz MWYUKGJYMFOMST-JTQLQIEISA-N -1 1 354.332 2.010 20 0 FEADMM CCN1CCN([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)CC1 ZINC000133486813 544272075 /nfs/dbraw/zinc/27/20/75/544272075.db2.gz MJBKKDCJHIKVCL-CYBMUJFWSA-N -1 1 355.841 2.037 20 0 FEADMM CCC[C@H]1SCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000135025765 544331565 /nfs/dbraw/zinc/33/15/65/544331565.db2.gz MATFKDCTMGLFQW-MRXNPFEDSA-N -1 1 358.467 2.384 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(OC)c(Cl)c2)o1 ZINC000135092155 544333787 /nfs/dbraw/zinc/33/37/87/544333787.db2.gz BVJQRVLQZAQGQV-UHFFFAOYSA-N -1 1 358.803 2.126 20 0 FEADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F ZINC000135325934 544342087 /nfs/dbraw/zinc/34/20/87/544342087.db2.gz WSHPCGDUDWBXQY-UHFFFAOYSA-N -1 1 362.379 2.137 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(CSc2nccn2C)c1)c1nn[n-]n1 ZINC000136671073 544376353 /nfs/dbraw/zinc/37/63/53/544376353.db2.gz IFGWLMSZVBDVEF-CQSZACIVSA-N -1 1 371.470 2.497 20 0 FEADMM CCC[C@@H](NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC000136674643 544376472 /nfs/dbraw/zinc/37/64/72/544376472.db2.gz YSIGBDSLOZOOEE-YPMHNXCESA-N -1 1 356.352 2.050 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(OC)c(Br)c1)c1nn[n-]n1 ZINC000136726794 544378434 /nfs/dbraw/zinc/37/84/34/544378434.db2.gz GFSFRBXJJIHQAJ-JTQLQIEISA-N -1 1 354.208 2.242 20 0 FEADMM COC[C@@H](C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000149351973 544456329 /nfs/dbraw/zinc/45/63/29/544456329.db2.gz JLIHHPATQQJISK-AWEZNQCLSA-N -1 1 362.451 2.500 20 0 FEADMM COc1ccccc1-c1nn(C)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000151286032 544525101 /nfs/dbraw/zinc/52/51/01/544525101.db2.gz XAOSPWQFVJPMJO-UHFFFAOYSA-N -1 1 366.303 2.485 20 0 FEADMM Cc1cc(C(=O)Nc2nc(-c3ccco3)cs2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000151675146 544568571 /nfs/dbraw/zinc/56/85/71/544568571.db2.gz NXLWMCZDMKLYJH-UHFFFAOYSA-N -1 1 369.362 2.301 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)Cc2ccc(O)cc2)c(=O)[n-]1 ZINC000151925633 544596477 /nfs/dbraw/zinc/59/64/77/544596477.db2.gz YWLQTCUAVKYQLN-NSHDSACASA-N -1 1 361.467 2.186 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2F)c1 ZINC000152506622 544663164 /nfs/dbraw/zinc/66/31/64/544663164.db2.gz LULFFXSRNYTDFA-UHFFFAOYSA-N -1 1 355.387 2.461 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)c2ccc(OC)cc2)co1 ZINC000153382313 544768835 /nfs/dbraw/zinc/76/88/35/544768835.db2.gz QVFGPUHZBDEPEK-GFCCVEGCSA-N -1 1 366.439 2.120 20 0 FEADMM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000154128877 544868556 /nfs/dbraw/zinc/86/85/56/544868556.db2.gz NENICNHQVRXANP-BDAKNGLRSA-N -1 1 351.346 2.114 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)s1 ZINC000185124788 327900956 /nfs/dbraw/zinc/90/09/56/327900956.db2.gz FEFRGCDRSJGZOP-ZDUSSCGKSA-N -1 1 372.512 2.014 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CSc2ccc(C)cc2)co1 ZINC000185218270 327906467 /nfs/dbraw/zinc/90/64/67/327906467.db2.gz IHOAVSMJBZLEII-GFCCVEGCSA-N -1 1 368.480 2.407 20 0 FEADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@H](C)Cc1ccsc1 ZINC000187363674 328019765 /nfs/dbraw/zinc/01/97/65/328019765.db2.gz HVYHWOAVNBNEME-LLVKDONJSA-N -1 1 356.469 2.343 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000187764090 328044565 /nfs/dbraw/zinc/04/45/65/328044565.db2.gz SIKYJHZKDWRZAD-CABCVRRESA-N -1 1 362.451 2.329 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)co1 ZINC000187766729 328044828 /nfs/dbraw/zinc/04/48/28/328044828.db2.gz UUBNHTARBOMGDL-HOCLYGCPSA-N -1 1 362.451 2.329 20 0 FEADMM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188014784 328060451 /nfs/dbraw/zinc/06/04/51/328060451.db2.gz ZCHSDBITVAGALT-VIFPVBQESA-N -1 1 374.261 2.444 20 0 FEADMM CCCN1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1=O ZINC000188146596 328069390 /nfs/dbraw/zinc/06/93/90/328069390.db2.gz UYCQUERTNAXLLG-UHFFFAOYSA-N -1 1 355.232 2.239 20 0 FEADMM COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000188229645 328074453 /nfs/dbraw/zinc/07/44/53/328074453.db2.gz UCKWBBWGFUVCQE-AAEUAGOBSA-N -1 1 374.528 2.242 20 0 FEADMM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000188375293 328083200 /nfs/dbraw/zinc/08/32/00/328083200.db2.gz XHCCLHWAEOWGPJ-LBPRGKRZSA-N -1 1 359.369 2.294 20 0 FEADMM CCOc1cc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)cc(Cl)c1[O-] ZINC000188982044 328121705 /nfs/dbraw/zinc/12/17/05/328121705.db2.gz FMHPOMPUCHONAJ-CYBMUJFWSA-N -1 1 354.834 2.431 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)o1 ZINC000190281795 328198077 /nfs/dbraw/zinc/19/80/77/328198077.db2.gz PHQFMVNAOQUWAD-UHFFFAOYSA-N -1 1 374.422 2.243 20 0 FEADMM COc1ccc2[nH]c(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)cc2c1 ZINC000191652876 328275990 /nfs/dbraw/zinc/27/59/90/328275990.db2.gz KYIZDFRLPSNBSJ-UHFFFAOYSA-N -1 1 365.393 2.059 20 0 FEADMM CCO[C@@H]1C[C@](O)(CNC(=O)c2ccc(Br)c([O-])c2)C1(C)C ZINC000191759846 328280336 /nfs/dbraw/zinc/28/03/36/328280336.db2.gz ZHXHCNUWJGYOMM-CJNGLKHVSA-N -1 1 372.259 2.451 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000191782498 328281426 /nfs/dbraw/zinc/28/14/26/328281426.db2.gz XBBRCSQPIYFURF-RNFRBKRXSA-N -1 1 351.329 2.311 20 0 FEADMM CCN(CC)[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)c1ccsc1 ZINC000192014412 328294406 /nfs/dbraw/zinc/29/44/06/328294406.db2.gz SMBUJVHJRFAIMT-LLVKDONJSA-N -1 1 359.439 2.117 20 0 FEADMM COc1ccc(-c2nc([N-]C(=O)c3ncc(F)cc3F)n[nH]2)c(OC)c1 ZINC000192246163 328309165 /nfs/dbraw/zinc/30/91/65/328309165.db2.gz DMDGHUAHYAKPNB-UHFFFAOYSA-N -1 1 361.308 2.414 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000193391921 328372556 /nfs/dbraw/zinc/37/25/56/328372556.db2.gz QEYARIPAVVTMTF-UHFFFAOYSA-N -1 1 356.403 2.374 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCN(C(=O)c2ccccn2)CC1 ZINC000194586787 328430834 /nfs/dbraw/zinc/43/08/34/328430834.db2.gz DNDJAZHLCCCCEQ-UHFFFAOYSA-N -1 1 360.801 2.327 20 0 FEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000231657413 328487749 /nfs/dbraw/zinc/48/77/49/328487749.db2.gz VMOSSSYADZAKFC-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1C ZINC000055583787 324781796 /nfs/dbraw/zinc/78/17/96/324781796.db2.gz JDPGSJGVVCHIRI-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000063217738 324864215 /nfs/dbraw/zinc/86/42/15/324864215.db2.gz XLFBFRFTUGNGRE-CYBMUJFWSA-N -1 1 350.212 2.488 20 0 FEADMM CCc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000079645109 325099956 /nfs/dbraw/zinc/09/99/56/325099956.db2.gz FSOGPEYDXXNZCL-UHFFFAOYSA-N -1 1 364.467 2.458 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000080621545 325137411 /nfs/dbraw/zinc/13/74/11/325137411.db2.gz FHHGSQPEAKMLJY-UHFFFAOYSA-N -1 1 370.453 2.490 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)n[n-]1 ZINC000086170590 325261455 /nfs/dbraw/zinc/26/14/55/325261455.db2.gz MQGDOPXNRDBYIT-GFCCVEGCSA-N -1 1 350.444 2.093 20 0 FEADMM CCC[C@@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1nn[n-]n1 ZINC000090061041 325352939 /nfs/dbraw/zinc/35/29/39/325352939.db2.gz NTMQCVNVCSOQJS-GOEBONIOSA-N -1 1 370.457 2.217 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCO)c2)cc1F ZINC000098075028 325465424 /nfs/dbraw/zinc/46/54/24/325465424.db2.gz IPPIUPDELDESIJ-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000243997709 328543208 /nfs/dbraw/zinc/54/32/08/328543208.db2.gz SGLXTMSOXXCHHU-UHFFFAOYSA-N -1 1 374.418 2.151 20 0 FEADMM CN(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000103436308 325517463 /nfs/dbraw/zinc/51/74/63/325517463.db2.gz AUXFYICQTHVXRY-UHFFFAOYSA-N -1 1 355.366 2.220 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000103941076 325529263 /nfs/dbraw/zinc/52/92/63/325529263.db2.gz ZVKDFZSDDOVLFQ-UHFFFAOYSA-N -1 1 350.422 2.373 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000104147849 325534273 /nfs/dbraw/zinc/53/42/73/325534273.db2.gz QXMXAAUYFLZYGB-UHFFFAOYSA-N -1 1 368.422 2.272 20 0 FEADMM Cc1ncsc1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000104471525 325539117 /nfs/dbraw/zinc/53/91/17/325539117.db2.gz HSHYLQZQVCKULP-UHFFFAOYSA-N -1 1 357.457 2.051 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000105388157 325566328 /nfs/dbraw/zinc/56/63/28/325566328.db2.gz XPHQOXMFTMTZDJ-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM CN(CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC(F)(F)F ZINC000105617868 325570756 /nfs/dbraw/zinc/57/07/56/325570756.db2.gz REMVJEZRHFNJKR-UHFFFAOYSA-N -1 1 364.311 2.266 20 0 FEADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000105617212 325570767 /nfs/dbraw/zinc/57/07/67/325570767.db2.gz ADSUFLAHCIIJGA-UHFFFAOYSA-N -1 1 364.389 2.029 20 0 FEADMM CN(CCn1cccn1)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000109968091 325681197 /nfs/dbraw/zinc/68/11/97/325681197.db2.gz WWHNLWGFGHQBBE-UHFFFAOYSA-N -1 1 362.484 2.414 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc([S@](C)=O)c2)c(=O)[n-]1 ZINC000110023049 325681998 /nfs/dbraw/zinc/68/19/98/325681998.db2.gz PKLGHCAVVOAYMI-XMMPIXPASA-N -1 1 365.480 2.109 20 0 FEADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1Cl ZINC000112266805 325764763 /nfs/dbraw/zinc/76/47/63/325764763.db2.gz QWNDJHXTARYKNK-UHFFFAOYSA-N -1 1 369.834 2.010 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc(-c3nc[nH]n3)c2)c(=O)[n-]1 ZINC000114146290 325875377 /nfs/dbraw/zinc/87/53/77/325875377.db2.gz XOKDURHSULFHNF-UHFFFAOYSA-N -1 1 370.438 2.157 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000114413043 325890047 /nfs/dbraw/zinc/89/00/47/325890047.db2.gz VVSOFONWJSRHOO-KGLIPLIRSA-N -1 1 372.375 2.338 20 0 FEADMM Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnn[n-]3)[C@H]2c2cccs2)cc1 ZINC000118685541 326097416 /nfs/dbraw/zinc/09/74/16/326097416.db2.gz GHOSNFDHEBKAJW-DOMZBBRYSA-N -1 1 368.422 2.303 20 0 FEADMM Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nn[n-]n3)[C@H]2c2cccs2)cc1 ZINC000118685541 326097418 /nfs/dbraw/zinc/09/74/18/326097418.db2.gz GHOSNFDHEBKAJW-DOMZBBRYSA-N -1 1 368.422 2.303 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1csc(-c3ccco3)n1)c2=O ZINC000119363228 326153846 /nfs/dbraw/zinc/15/38/46/326153846.db2.gz UWDHEGFSZYSJEG-UHFFFAOYSA-N -1 1 355.379 2.320 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCO)cc2)c1C ZINC000120373671 326253368 /nfs/dbraw/zinc/25/33/68/326253368.db2.gz DRQYQHBBQCTQBE-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM Cc1ccc(C(=O)NCCCO)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000120470421 326261576 /nfs/dbraw/zinc/26/15/76/326261576.db2.gz HJXKKWMVOOPCLF-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c(Cl)cc1F ZINC000120777657 326287121 /nfs/dbraw/zinc/28/71/21/326287121.db2.gz GMXLDSWQOZUOIC-UHFFFAOYSA-N -1 1 372.805 2.452 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000120815476 326290255 /nfs/dbraw/zinc/29/02/55/326290255.db2.gz HQBWNVIMOLQREF-TZMCWYRMSA-N -1 1 372.375 2.338 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000121348874 326331440 /nfs/dbraw/zinc/33/14/40/326331440.db2.gz JPDSZPBVFKCFSB-AWEZNQCLSA-N -1 1 356.426 2.064 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000122513023 326399662 /nfs/dbraw/zinc/39/96/62/326399662.db2.gz MAKWJRKWEMQEQN-CQSZACIVSA-N -1 1 365.311 2.119 20 0 FEADMM COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000123439434 326431336 /nfs/dbraw/zinc/43/13/36/326431336.db2.gz NSRLHRSABJVDSL-NEPJUHHUSA-N -1 1 350.396 2.402 20 0 FEADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000127376816 326505264 /nfs/dbraw/zinc/50/52/64/326505264.db2.gz RMPNADUZOHHLGE-NSHDSACASA-N -1 1 370.359 2.210 20 0 FEADMM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000134608998 326628465 /nfs/dbraw/zinc/62/84/65/326628465.db2.gz NRHLLLHEBUKFOH-UHFFFAOYSA-N -1 1 374.340 2.485 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2ccc(Cl)nc2)c(=O)[n-]1 ZINC000151154840 326676014 /nfs/dbraw/zinc/67/60/14/326676014.db2.gz HLJHYPABLATGHN-UHFFFAOYSA-N -1 1 366.874 2.140 20 0 FEADMM C[C@@H](NC(=O)CN(C)C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000152669203 326713608 /nfs/dbraw/zinc/71/36/08/326713608.db2.gz NYADZVLCIXHZJN-GFCCVEGCSA-N -1 1 367.496 2.288 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000154322394 326756960 /nfs/dbraw/zinc/75/69/60/326756960.db2.gz KGKFUMZCCKWBOB-NWDGAFQWSA-N -1 1 353.216 2.038 20 0 FEADMM Cc1noc(C)c1[C@@H](C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000154813928 326769725 /nfs/dbraw/zinc/76/97/25/326769725.db2.gz SBRQVZWOCGSOIM-VIFPVBQESA-N -1 1 357.414 2.054 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1O)c1cc(Br)c(F)cc1F ZINC000162757013 327034001 /nfs/dbraw/zinc/03/40/01/327034001.db2.gz LLAVQLPWJUMIOL-CPCISQLKSA-N -1 1 370.215 2.167 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2ccnc(Cl)c2F)s1 ZINC000163302855 327048248 /nfs/dbraw/zinc/04/82/48/327048248.db2.gz NNPTVWCNQXXTRK-UHFFFAOYSA-N -1 1 358.782 2.474 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000164792323 327074560 /nfs/dbraw/zinc/07/45/60/327074560.db2.gz RRMLEKSZFNOIJH-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)oc1C ZINC000170939725 327108679 /nfs/dbraw/zinc/10/86/79/327108679.db2.gz BPHNTFISTLQPEY-UHFFFAOYSA-N -1 1 363.313 2.270 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cnns1 ZINC000171017239 327112781 /nfs/dbraw/zinc/11/27/81/327112781.db2.gz DZJWNCKLBUXRJU-UHFFFAOYSA-N -1 1 374.447 2.269 20 0 FEADMM Cc1nnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)[nH]1 ZINC000172172188 327185560 /nfs/dbraw/zinc/18/55/60/327185560.db2.gz PNXSFPSZFOBTRK-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c2ccccc2O1 ZINC000172687184 327214506 /nfs/dbraw/zinc/21/45/06/327214506.db2.gz PACYMAPQBSVVRP-AWEZNQCLSA-N -1 1 366.421 2.386 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000174024661 327302391 /nfs/dbraw/zinc/30/23/91/327302391.db2.gz AFBQHHHRPWEREL-YUNKPMOVSA-N -1 1 350.422 2.402 20 0 FEADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000174508776 327331345 /nfs/dbraw/zinc/33/13/45/327331345.db2.gz XINYXBQARCXJLE-NSHDSACASA-N -1 1 359.348 2.050 20 0 FEADMM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000174576412 327335683 /nfs/dbraw/zinc/33/56/83/327335683.db2.gz DMXQYPBZVGFVDP-CQSZACIVSA-N -1 1 366.421 2.281 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000264380102 329016427 /nfs/dbraw/zinc/01/64/27/329016427.db2.gz JDRVMEPQHCOJKW-CQSZACIVSA-N -1 1 368.412 2.337 20 0 FEADMM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(OC)cc1 ZINC000264530579 329033210 /nfs/dbraw/zinc/03/32/10/329033210.db2.gz HRGYBLHSURWFNH-UHFFFAOYSA-N -1 1 354.410 2.244 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(C[C@H]2CCCO2)no1 ZINC000264613499 329041027 /nfs/dbraw/zinc/04/10/27/329041027.db2.gz OTBZDZGOVQLOGP-CQSZACIVSA-N -1 1 367.409 2.442 20 0 FEADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([O-])c(Cl)c1)C2=O ZINC000264931323 329075589 /nfs/dbraw/zinc/07/55/89/329075589.db2.gz NTBMFRNOQBHRKE-BMLIUANNSA-N -1 1 365.817 2.485 20 0 FEADMM CO[C@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000266136535 329193771 /nfs/dbraw/zinc/19/37/71/329193771.db2.gz LFGKGLJMGQFSFW-CVEARBPZSA-N -1 1 356.426 2.169 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c[nH]1 ZINC000266381899 329217272 /nfs/dbraw/zinc/21/72/72/329217272.db2.gz AVGZXRWTYHULIA-UHFFFAOYSA-N -1 1 350.396 2.391 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccco1 ZINC000267101505 329291926 /nfs/dbraw/zinc/29/19/26/329291926.db2.gz WVPRDROBBRPNHE-AHIWAGSCSA-N -1 1 355.456 2.282 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000267169788 329298853 /nfs/dbraw/zinc/29/88/53/329298853.db2.gz UHKHHSSPCGQHIX-OLZOCXBDSA-N -1 1 362.474 2.165 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)o1 ZINC000267572570 329339447 /nfs/dbraw/zinc/33/94/47/329339447.db2.gz XIFUALRTQPKHRC-CYBMUJFWSA-N -1 1 352.412 2.179 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](OCC(C)C)C2)c(=O)[n-]1 ZINC000268211275 329397166 /nfs/dbraw/zinc/39/71/66/329397166.db2.gz ALGDLQYUUNFOFC-ZDUSSCGKSA-N -1 1 353.488 2.419 20 0 FEADMM CCOCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268620105 329440154 /nfs/dbraw/zinc/44/01/54/329440154.db2.gz JVVIHWUBPJCQMY-UHFFFAOYSA-N -1 1 350.293 2.269 20 0 FEADMM COc1ccc([C@H]2[C@@H](C(=O)[N-]OCc3cccnc3)CCC(=O)N2C)cc1 ZINC000269604137 329533530 /nfs/dbraw/zinc/53/35/30/329533530.db2.gz NMDSDZGSLNZRJI-HKUYNNGSSA-N -1 1 369.421 2.248 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1ccc(-c2nc(C(C)C)no2)cc1 ZINC000269992787 329566748 /nfs/dbraw/zinc/56/67/48/329566748.db2.gz VGTKSYXYEGQTKS-UHFFFAOYSA-N -1 1 369.443 2.265 20 0 FEADMM CCN(CCCO)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000270222787 329583441 /nfs/dbraw/zinc/58/34/41/329583441.db2.gz SJCLLHYOMQHHDA-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)[C@H](OC)c2ccccc2F)c1 ZINC000272007240 329744598 /nfs/dbraw/zinc/74/45/98/329744598.db2.gz VEZZQIVLRHNJMQ-BONVTDFDSA-N -1 1 371.386 2.260 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](CCO)C(C)(C)C ZINC000272290970 329767262 /nfs/dbraw/zinc/76/72/62/329767262.db2.gz VFUJOTINNBQCLI-HNNXBMFYSA-N -1 1 358.442 2.008 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC[C@H]1CCCCO1 ZINC000272984036 329828150 /nfs/dbraw/zinc/82/81/50/329828150.db2.gz MGPJHUOTXIULRZ-OAHLLOKOSA-N -1 1 356.426 2.171 20 0 FEADMM Cc1cc(C)cc(Cc2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)c1 ZINC000273791548 329892191 /nfs/dbraw/zinc/89/21/91/329892191.db2.gz WXLYSEHTDIMVHU-UHFFFAOYSA-N -1 1 367.471 2.122 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)CCOC)c1 ZINC000273952718 329905001 /nfs/dbraw/zinc/90/50/01/329905001.db2.gz YJPMXHCRCFJTSM-UHFFFAOYSA-N -1 1 372.487 2.424 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)cc(Cl)c1[O-] ZINC000273971420 329906177 /nfs/dbraw/zinc/90/61/77/329906177.db2.gz RQIPUSXJKIDAGO-JTQLQIEISA-N -1 1 363.863 2.340 20 0 FEADMM Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)[N-]OCCC(F)(F)F ZINC000275250638 330026597 /nfs/dbraw/zinc/02/65/97/330026597.db2.gz VWTYCEKFTWMVBL-UHFFFAOYSA-N -1 1 356.304 2.095 20 0 FEADMM O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000275352247 330038213 /nfs/dbraw/zinc/03/82/13/330038213.db2.gz GXADCKVDTRCDDT-QMMMGPOBSA-N -1 1 350.724 2.186 20 0 FEADMM CC[C@]1(C)CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000275988885 330109443 /nfs/dbraw/zinc/10/94/43/330109443.db2.gz DXFMCVODHTYSIV-MRXNPFEDSA-N -1 1 371.459 2.100 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)c1cccc(C)c1C ZINC000276190865 330127627 /nfs/dbraw/zinc/12/76/27/330127627.db2.gz LWQCMPVXNDHAKF-CWRNSKLLSA-N -1 1 355.456 2.004 20 0 FEADMM Cc1cc(N2CCC([N-]S(=O)(=O)c3cc(F)c(F)cc3F)CC2)n[nH]1 ZINC000276399743 330148794 /nfs/dbraw/zinc/14/87/94/330148794.db2.gz ZAIVNXVDHJQIJH-UHFFFAOYSA-N -1 1 374.388 2.083 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc2c(c1)NC(=O)CO2 ZINC000276421408 330150400 /nfs/dbraw/zinc/15/04/00/330150400.db2.gz ZMAUQDBYNUXJGC-UHFFFAOYSA-N -1 1 357.391 2.366 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC000364809602 330206318 /nfs/dbraw/zinc/20/63/18/330206318.db2.gz JPTYIIYOAFKHCR-YVEFUNNKSA-N -1 1 371.393 2.192 20 0 FEADMM CN(CC(F)(F)F)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000367094494 330216337 /nfs/dbraw/zinc/21/63/37/330216337.db2.gz YQXZECUCCIQBER-VIFPVBQESA-N -1 1 366.706 2.285 20 0 FEADMM Cn1ccc([C@@H](NC(=O)c2ccc3[nH]nnc3c2)c2ccc(F)cc2)n1 ZINC000371445942 330242377 /nfs/dbraw/zinc/24/23/77/330242377.db2.gz AGMMYIACJNTEJT-KRWDZBQOSA-N -1 1 350.357 2.350 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@@]2(CCOC2)O1 ZINC000373644815 330248006 /nfs/dbraw/zinc/24/80/06/330248006.db2.gz APOSQOMRFDADDS-BFUOFWGJSA-N -1 1 357.410 2.054 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@@]2(CCOC2)O1 ZINC000373644815 330248008 /nfs/dbraw/zinc/24/80/08/330248008.db2.gz APOSQOMRFDADDS-BFUOFWGJSA-N -1 1 357.410 2.054 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@]2(CCOC2)O1 ZINC000373644818 330248042 /nfs/dbraw/zinc/24/80/42/330248042.db2.gz APOSQOMRFDADDS-YJYMSZOUSA-N -1 1 357.410 2.054 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@]2(CCOC2)O1 ZINC000373644818 330248043 /nfs/dbraw/zinc/24/80/43/330248043.db2.gz APOSQOMRFDADDS-YJYMSZOUSA-N -1 1 357.410 2.054 20 0 FEADMM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(Br)cn1 ZINC000553915201 674294422 /nfs/dbraw/zinc/29/44/22/674294422.db2.gz MSOLRQJDWBMYBD-UHFFFAOYSA-N -1 1 359.167 2.463 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)o1 ZINC000553910561 674293941 /nfs/dbraw/zinc/29/39/41/674293941.db2.gz FTYVDPOQKUWSRQ-BJOHPYRUSA-N -1 1 369.370 2.396 20 0 FEADMM CS[C@@H](C)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805225371 674326711 /nfs/dbraw/zinc/32/67/11/674326711.db2.gz GNSXRXHLJXGPHS-NAKRPEOUSA-N -1 1 355.426 2.225 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1cscn1 ZINC000805420398 674335949 /nfs/dbraw/zinc/33/59/49/674335949.db2.gz FRIXMVWNCQYXSW-UHFFFAOYSA-N -1 1 368.436 2.335 20 0 FEADMM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1ccc(F)c(F)c1F ZINC000555456053 674362503 /nfs/dbraw/zinc/36/25/03/674362503.db2.gz IMHHAKAMDSBLED-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM O=C(c1c(F)cc(Br)cc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155477670 545531215 /nfs/dbraw/zinc/53/12/15/545531215.db2.gz GUXKUKRULTZORX-SSDOTTSWSA-N -1 1 372.173 2.260 20 0 FEADMM COC(=O)C[C@@](C)(NC(=O)c1csc(=NC2CC2)[n-]1)c1ccccn1 ZINC000486842939 538570516 /nfs/dbraw/zinc/57/05/16/538570516.db2.gz RAJUHJLCCYFSPA-QGZVFWFLSA-N -1 1 360.439 2.321 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2cc3c(ccc4ccccc34)o2)n1 ZINC000156415721 545626390 /nfs/dbraw/zinc/62/63/90/545626390.db2.gz YOZGMIDBLMIBNM-UHFFFAOYSA-N -1 1 370.390 2.289 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)[n-]1 ZINC000156415721 545626393 /nfs/dbraw/zinc/62/63/93/545626393.db2.gz YOZGMIDBLMIBNM-UHFFFAOYSA-N -1 1 370.390 2.289 20 0 FEADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1 ZINC000158692958 545885921 /nfs/dbraw/zinc/88/59/21/545885921.db2.gz BMNYTXQMHOWZAM-UHFFFAOYSA-N -1 1 373.438 2.060 20 0 FEADMM O=C(NCCc1nnc2n1CCCC2)c1ccc(Br)cc1[O-] ZINC000159076349 545919773 /nfs/dbraw/zinc/91/97/73/545919773.db2.gz VUZOBGCFXLMQEC-UHFFFAOYSA-N -1 1 365.231 2.055 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000478688202 561172766 /nfs/dbraw/zinc/17/27/66/561172766.db2.gz VWUGEAGHABYWGN-UHFFFAOYSA-N -1 1 370.377 2.199 20 0 FEADMM CC(=C([O-])c1c[nH]c2ncccc12)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000478769150 561174557 /nfs/dbraw/zinc/17/45/57/561174557.db2.gz HTWKIBSAPYANPJ-LLVKDONJSA-N -1 1 372.402 2.379 20 0 FEADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)n[nH]1)c1c(F)cccc1Cl ZINC000478900640 561177517 /nfs/dbraw/zinc/17/75/17/561177517.db2.gz UNYIUHWVINMEDR-UHFFFAOYSA-N -1 1 358.704 2.095 20 0 FEADMM O=C([O-])c1ccn(-c2cccc(CNC(=O)c3n[nH]c4ccccc43)c2)n1 ZINC000478953030 561178692 /nfs/dbraw/zinc/17/86/92/561178692.db2.gz WDLSVEGRCMSFQU-UHFFFAOYSA-N -1 1 361.361 2.377 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(N(C)C)c1 ZINC000479123780 561182068 /nfs/dbraw/zinc/18/20/68/561182068.db2.gz BPWLRVQUBWTGBQ-UHFFFAOYSA-N -1 1 364.423 2.349 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479141478 561182499 /nfs/dbraw/zinc/18/24/99/561182499.db2.gz GTMVHHHVANDVQD-UHFFFAOYSA-N -1 1 359.280 2.215 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CN1c1ccccc1 ZINC000170940307 546184323 /nfs/dbraw/zinc/18/43/23/546184323.db2.gz ATONZMCEVGANOO-SNVBAGLBSA-N -1 1 370.352 2.188 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOC2CCCCCC2)o1 ZINC000479206759 561184763 /nfs/dbraw/zinc/18/47/63/561184763.db2.gz IJUYBJWLQPWXFT-UHFFFAOYSA-N -1 1 359.444 2.474 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OCC)c(F)c2)o1 ZINC000479220515 561185159 /nfs/dbraw/zinc/18/51/59/561185159.db2.gz FEFRWNJEBUNKAS-UHFFFAOYSA-N -1 1 371.386 2.473 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccc1C1CC1 ZINC000479556278 561191853 /nfs/dbraw/zinc/19/18/53/561191853.db2.gz HJNRJOZVCJJUQB-UHFFFAOYSA-N -1 1 371.418 2.203 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2OC)cn1C ZINC000479555481 561191866 /nfs/dbraw/zinc/19/18/66/561191866.db2.gz OAAVLOUMSUJXOJ-UHFFFAOYSA-N -1 1 356.375 2.150 20 0 FEADMM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000175839217 546359461 /nfs/dbraw/zinc/35/94/61/546359461.db2.gz VSCTYIDQSKEVMF-HZMBPMFUSA-N -1 1 352.412 2.120 20 0 FEADMM CCC[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)c1nn[n-]n1 ZINC000176792441 546488918 /nfs/dbraw/zinc/48/89/18/546488918.db2.gz KQGVCCYZPRVYDO-LLVKDONJSA-N -1 1 360.809 2.013 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(CC)CC ZINC000177707657 546671464 /nfs/dbraw/zinc/67/14/64/546671464.db2.gz YDJGTUSOZGMSBS-JKSUJKDBSA-N -1 1 374.485 2.282 20 0 FEADMM CN(C)c1cc([N-]S(=O)(=O)c2cncc(Br)c2)ccn1 ZINC000481054058 561223919 /nfs/dbraw/zinc/22/39/19/561223919.db2.gz HDFLDCLXTGPNLJ-UHFFFAOYSA-N -1 1 357.233 2.106 20 0 FEADMM CCS[C@H]1CCC[C@@H]1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000178075340 546734296 /nfs/dbraw/zinc/73/42/96/546734296.db2.gz XAYOXNLYFOQILM-HOTGVXAUSA-N -1 1 372.494 2.473 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)n(-c2ccncc2)n1 ZINC000481812375 561243020 /nfs/dbraw/zinc/24/30/20/561243020.db2.gz CZRQWJRJEZQVIL-UHFFFAOYSA-N -1 1 372.406 2.414 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)co1 ZINC000179273034 546922898 /nfs/dbraw/zinc/92/28/98/546922898.db2.gz ZPNOWECTOLWWTF-LBPRGKRZSA-N -1 1 366.439 2.466 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481883417 561244728 /nfs/dbraw/zinc/24/47/28/561244728.db2.gz IYMQXKVCVHYRGL-UHFFFAOYSA-N -1 1 374.827 2.319 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(OCc3ccccc3)CC1)c2=O ZINC000179424508 546950818 /nfs/dbraw/zinc/95/08/18/546950818.db2.gz FBYSBGMBZJUIQU-UHFFFAOYSA-N -1 1 366.421 2.495 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1Cl ZINC000481970480 561246455 /nfs/dbraw/zinc/24/64/55/561246455.db2.gz IJPFXZSTXWVIMK-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc21 ZINC000179539091 546973310 /nfs/dbraw/zinc/97/33/10/546973310.db2.gz MCHOLMRQPZOAOF-UHFFFAOYSA-N -1 1 363.370 2.221 20 0 FEADMM C[C@H]1CN(C)c2ccccc2CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179540412 546974176 /nfs/dbraw/zinc/97/41/76/546974176.db2.gz NIFVXDOSTDBQTC-LBPRGKRZSA-N -1 1 351.410 2.155 20 0 FEADMM CO[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000482216471 561250390 /nfs/dbraw/zinc/25/03/90/561250390.db2.gz YILBWKRIAQCQPW-MRXNPFEDSA-N -1 1 360.435 2.348 20 0 FEADMM O=S(=O)([N-]c1ncccc1Br)c1ccc2c(c1)OCO2 ZINC000180164202 547062192 /nfs/dbraw/zinc/06/21/92/547062192.db2.gz HNAYHRPPUZZLQT-UHFFFAOYSA-N -1 1 357.185 2.374 20 0 FEADMM COC1(CNC(=O)c2cc(I)ccc2[O-])CCC1 ZINC000180622953 547143535 /nfs/dbraw/zinc/14/35/35/547143535.db2.gz GSJDNYUDTDLNDK-UHFFFAOYSA-N -1 1 361.179 2.296 20 0 FEADMM Cc1nn(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(C)c1Cl ZINC000181086963 547247283 /nfs/dbraw/zinc/24/72/83/547247283.db2.gz GQZQETFFSNTWJM-UHFFFAOYSA-N -1 1 374.825 2.303 20 0 FEADMM Cc1cccc2c(O)c(C(=O)N=c3nc(-c4cccnc4)[n-]s3)cnc12 ZINC000483255151 561271906 /nfs/dbraw/zinc/27/19/06/561271906.db2.gz ONXNFWJQWHRGII-UHFFFAOYSA-N -1 1 363.402 2.424 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOCC2(CCOCC2)C1 ZINC000182640156 547525917 /nfs/dbraw/zinc/52/59/17/547525917.db2.gz BNQZLRCJVBHJOX-UHFFFAOYSA-N -1 1 370.243 2.424 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000183081693 547597868 /nfs/dbraw/zinc/59/78/68/547597868.db2.gz JEZDYRWUPNYTOS-AWEZNQCLSA-N -1 1 360.458 2.447 20 0 FEADMM COCCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1 ZINC000484562120 561300012 /nfs/dbraw/zinc/30/00/12/561300012.db2.gz CEQWCQDTDPFOKO-UHFFFAOYSA-N -1 1 365.407 2.383 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c1Cl ZINC000183847210 547728630 /nfs/dbraw/zinc/72/86/30/547728630.db2.gz BVBJEUCMFRFYBK-OLZOCXBDSA-N -1 1 355.847 2.272 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)N(C)C)c1 ZINC000484667367 561302922 /nfs/dbraw/zinc/30/29/22/561302922.db2.gz DMAYNUSXONHIDH-UHFFFAOYSA-N -1 1 366.414 2.475 20 0 FEADMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(C)C ZINC000484788555 561306003 /nfs/dbraw/zinc/30/60/03/561306003.db2.gz QPSXWVZENQVGID-QWHCGFSZSA-N -1 1 359.444 2.328 20 0 FEADMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000484954507 561309231 /nfs/dbraw/zinc/30/92/31/561309231.db2.gz FAAZOAQMPJRFIZ-CYBMUJFWSA-N -1 1 357.428 2.484 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1F ZINC000184915989 547899386 /nfs/dbraw/zinc/89/93/86/547899386.db2.gz YRHFMRRGMDQOCY-AAEUAGOBSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185105902 547934557 /nfs/dbraw/zinc/93/45/57/547934557.db2.gz XBUIYPLILMZEGT-BXKDBHETSA-N -1 1 372.874 2.250 20 0 FEADMM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1cnn(C)c1 ZINC000485433722 561319151 /nfs/dbraw/zinc/31/91/51/561319151.db2.gz GJLAERKBVZPJRR-UHFFFAOYSA-N -1 1 361.199 2.301 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000185581191 548004946 /nfs/dbraw/zinc/00/49/46/548004946.db2.gz YHPUIAIGWFHOSD-MRXNPFEDSA-N -1 1 363.417 2.397 20 0 FEADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000185619741 548010437 /nfs/dbraw/zinc/01/04/37/548010437.db2.gz AFDOYFPBKSJTHW-KGLIPLIRSA-N -1 1 352.456 2.407 20 0 FEADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2C1 ZINC000185924147 548059521 /nfs/dbraw/zinc/05/95/21/548059521.db2.gz AEAOWAQUYWPMIF-UHFFFAOYSA-N -1 1 359.451 2.310 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCC(c2ccnn2CCO)CC1 ZINC000186016282 548073742 /nfs/dbraw/zinc/07/37/42/548073742.db2.gz ARPXDNCYFIVWSD-UHFFFAOYSA-N -1 1 366.421 2.149 20 0 FEADMM C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2n[nH]nc2-c2ccccc2)cc1 ZINC000189187723 548298212 /nfs/dbraw/zinc/29/82/12/548298212.db2.gz GXRDNHQVEQCQCH-UHFFFAOYSA-N -1 1 364.409 2.224 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1 ZINC000486495426 561348918 /nfs/dbraw/zinc/34/89/18/561348918.db2.gz JUSPOSPLZBVDBX-UHFFFAOYSA-N -1 1 358.423 2.257 20 0 FEADMM C[C@@H]1CN(CCN(C)C(=O)c2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000194719316 548520934 /nfs/dbraw/zinc/52/09/34/548520934.db2.gz WCFMCQGVTCTHFD-TXEJJXNPSA-N -1 1 371.275 2.336 20 0 FEADMM CCOC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000194821607 548536246 /nfs/dbraw/zinc/53/62/46/548536246.db2.gz AGLXLEZAKBSFFS-UHFFFAOYSA-N -1 1 369.418 2.295 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2cccc(Cl)c2)o1 ZINC000194941155 548554858 /nfs/dbraw/zinc/55/48/58/548554858.db2.gz QJPUVISHIKNASA-UHFFFAOYSA-N -1 1 356.831 2.204 20 0 FEADMM CCOc1ccc(OCCS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1 ZINC000195170238 548588394 /nfs/dbraw/zinc/58/83/94/548588394.db2.gz KQABJNNIUBKDRN-UHFFFAOYSA-N -1 1 353.444 2.354 20 0 FEADMM CCCc1noc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)n1 ZINC000195212478 548597816 /nfs/dbraw/zinc/59/78/16/548597816.db2.gz VZLOAHXAQSJUFG-UHFFFAOYSA-N -1 1 373.438 2.270 20 0 FEADMM CCCc1noc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000195212478 548597819 /nfs/dbraw/zinc/59/78/19/548597819.db2.gz VZLOAHXAQSJUFG-UHFFFAOYSA-N -1 1 373.438 2.270 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)cc1 ZINC000195289836 548613147 /nfs/dbraw/zinc/61/31/47/548613147.db2.gz OOQFSRNNBNFFHY-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)cc1 ZINC000195289836 548613150 /nfs/dbraw/zinc/61/31/50/548613150.db2.gz OOQFSRNNBNFFHY-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)cc1 ZINC000195289836 548613153 /nfs/dbraw/zinc/61/31/53/548613153.db2.gz OOQFSRNNBNFFHY-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000198236323 548658672 /nfs/dbraw/zinc/65/86/72/548658672.db2.gz HKCPWBOQSWQYNN-OAHLLOKOSA-N -1 1 359.499 2.284 20 0 FEADMM C[C@@H]1C[C@@H](O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487425264 561369636 /nfs/dbraw/zinc/36/96/36/561369636.db2.gz FPBGHZCWJNGYML-RKDXNWHRSA-N -1 1 351.200 2.298 20 0 FEADMM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000236706597 548774613 /nfs/dbraw/zinc/77/46/13/548774613.db2.gz NNRGLKBFGAAQCN-UHFFFAOYSA-N -1 1 353.422 2.347 20 0 FEADMM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000236706597 548774617 /nfs/dbraw/zinc/77/46/17/548774617.db2.gz NNRGLKBFGAAQCN-UHFFFAOYSA-N -1 1 353.422 2.347 20 0 FEADMM CC(C)(CNC(=O)c1ccc(C(=O)[O-])nc1)[N@H+]1CCc2ccccc2C1 ZINC000236706830 548774863 /nfs/dbraw/zinc/77/48/63/548774863.db2.gz RKPDUBWRFMRVGJ-UHFFFAOYSA-N -1 1 353.422 2.347 20 0 FEADMM CC(C)(CNC(=O)c1ccc(C(=O)[O-])nc1)N1CCc2ccccc2C1 ZINC000236706830 548774864 /nfs/dbraw/zinc/77/48/64/548774864.db2.gz RKPDUBWRFMRVGJ-UHFFFAOYSA-N -1 1 353.422 2.347 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(Cc2ccccc2F)CC1 ZINC000487561780 561371944 /nfs/dbraw/zinc/37/19/44/561371944.db2.gz FENFRXAIEHTKJN-UHFFFAOYSA-N -1 1 371.412 2.137 20 0 FEADMM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000488331043 561388006 /nfs/dbraw/zinc/38/80/06/561388006.db2.gz LWOXXVBBOPJSIM-NSHDSACASA-N -1 1 365.411 2.118 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1 ZINC000488970831 561400701 /nfs/dbraw/zinc/40/07/01/561400701.db2.gz CCXLMMJNVNQLHI-UHFFFAOYSA-N -1 1 370.383 2.271 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000248882342 549521433 /nfs/dbraw/zinc/52/14/33/549521433.db2.gz PANBLENVILGXFL-TZMCWYRMSA-N -1 1 368.499 2.400 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)c1ccco1 ZINC000489568338 561414501 /nfs/dbraw/zinc/41/45/01/561414501.db2.gz YKWJVAZUVWGBMN-ZDUSSCGKSA-N -1 1 359.444 2.010 20 0 FEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1)C(F)(F)F ZINC000489823784 561419809 /nfs/dbraw/zinc/41/98/09/561419809.db2.gz CRKQWJORADNUQR-QPUJVOFHSA-N -1 1 368.377 2.432 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCC[C@H]1Cc1ccccc1 ZINC000490011725 561424535 /nfs/dbraw/zinc/42/45/35/561424535.db2.gz WITYWQDYZWVNQC-INIZCTEOSA-N -1 1 353.422 2.141 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCC[C@H]1c1ccc(F)cc1 ZINC000490027978 561424715 /nfs/dbraw/zinc/42/47/15/561424715.db2.gz DWVYRINAJUUQIC-HNNXBMFYSA-N -1 1 357.385 2.410 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000263089566 549877025 /nfs/dbraw/zinc/87/70/25/549877025.db2.gz HQVNXZKBVQXPJG-LJQANCHMSA-N -1 1 356.426 2.224 20 0 FEADMM CC(=O)NCC[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@H](C)C(=O)[O-] ZINC000263365131 549897689 /nfs/dbraw/zinc/89/76/89/549897689.db2.gz SXOMRUJKBJVNKZ-OAHLLOKOSA-N -1 1 371.437 2.072 20 0 FEADMM CC(=O)NCCN(Cc1cncc(OCc2ccccc2)c1)[C@H](C)C(=O)[O-] ZINC000263365131 549897692 /nfs/dbraw/zinc/89/76/92/549897692.db2.gz SXOMRUJKBJVNKZ-OAHLLOKOSA-N -1 1 371.437 2.072 20 0 FEADMM COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CCN2C2CC2)c1 ZINC000263548752 549908456 /nfs/dbraw/zinc/90/84/56/549908456.db2.gz JAENBGVUIXGHTN-XDNAFOTISA-N -1 1 372.465 2.446 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000268644600 550098648 /nfs/dbraw/zinc/09/86/48/550098648.db2.gz CJVPRVTWMAHIHP-SSDOTTSWSA-N -1 1 360.798 2.088 20 0 FEADMM CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000269075765 550151964 /nfs/dbraw/zinc/15/19/64/550151964.db2.gz UYEPUZNWQMCFIK-UHFFFAOYSA-N -1 1 358.435 2.312 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2c(F)cccc2CO)cc1 ZINC000270546588 550282514 /nfs/dbraw/zinc/28/25/14/550282514.db2.gz DVIFIQCYDNRHBO-UHFFFAOYSA-N -1 1 355.387 2.147 20 0 FEADMM C[C@H](O)CCN(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271468553 550377920 /nfs/dbraw/zinc/37/79/20/550377920.db2.gz ZXCLBRALGALZRE-VIFPVBQESA-N -1 1 364.320 2.346 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000271816795 550403859 /nfs/dbraw/zinc/40/38/59/550403859.db2.gz FVAYRZSGLQFJMC-KRWDZBQOSA-N -1 1 370.453 2.008 20 0 FEADMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000273075687 550483990 /nfs/dbraw/zinc/48/39/90/550483990.db2.gz KCRZGCFJZBIJTD-JGVFFNPUSA-N -1 1 355.243 2.254 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000273604607 550504958 /nfs/dbraw/zinc/50/49/58/550504958.db2.gz NXPMZCFFTOHZCB-CVEARBPZSA-N -1 1 374.485 2.240 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H](C)CO ZINC000494722356 561475263 /nfs/dbraw/zinc/47/52/63/561475263.db2.gz ZERBXKPSVUXADK-ZIAGYGMSSA-N -1 1 362.451 2.234 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277407767 550666718 /nfs/dbraw/zinc/66/67/18/550666718.db2.gz YZRAWKRBGXLRJX-UHFFFAOYSA-N -1 1 355.291 2.306 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(O)C3)c2)cc1 ZINC000277584006 550687885 /nfs/dbraw/zinc/68/78/85/550687885.db2.gz DJPQSDWBJRATIY-UHFFFAOYSA-N -1 1 360.435 2.003 20 0 FEADMM CCO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccccc1 ZINC000277663148 550698528 /nfs/dbraw/zinc/69/85/28/550698528.db2.gz GRJFFCZPZNNPIA-AWEZNQCLSA-N -1 1 353.396 2.122 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2)n1 ZINC000277788603 550714252 /nfs/dbraw/zinc/71/42/52/550714252.db2.gz UZTFAQYLAKXTRA-CYBMUJFWSA-N -1 1 361.446 2.227 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccccc2N2CCCC2=O)n1 ZINC000278745710 550817210 /nfs/dbraw/zinc/81/72/10/550817210.db2.gz VWURFULUQADAJF-UHFFFAOYSA-N -1 1 374.422 2.054 20 0 FEADMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000278975587 550842248 /nfs/dbraw/zinc/84/22/48/550842248.db2.gz DDUNPFKSTQEEPB-SNVBAGLBSA-N -1 1 358.360 2.135 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)ccnc1-2 ZINC000279453863 550891891 /nfs/dbraw/zinc/89/18/91/550891891.db2.gz VSEOPFAKNWKLHR-QBEHFZKZSA-N -1 1 351.410 2.384 20 0 FEADMM Cc1ccc(F)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1Br ZINC000280294464 550977554 /nfs/dbraw/zinc/97/75/54/550977554.db2.gz QGPAURQGWJVUNG-MRVPVSSYSA-N -1 1 356.199 2.285 20 0 FEADMM CCC[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H](O)c1ccccc1 ZINC000280473402 550997806 /nfs/dbraw/zinc/99/78/06/550997806.db2.gz NCXUWGALTOSHKM-QWHCGFSZSA-N -1 1 357.863 2.254 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000281010722 551054627 /nfs/dbraw/zinc/05/46/27/551054627.db2.gz OFABZVGGSMVQBV-UHFFFAOYSA-N -1 1 355.391 2.490 20 0 FEADMM CCOc1nc(C)ccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281621574 551121540 /nfs/dbraw/zinc/12/15/40/551121540.db2.gz FWTGJQBTSQJAGW-UHFFFAOYSA-N -1 1 373.375 2.319 20 0 FEADMM COc1cncc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)c1 ZINC000282140684 551185906 /nfs/dbraw/zinc/18/59/06/551185906.db2.gz ZKUKXPOSAXDAAP-UHFFFAOYSA-N -1 1 363.439 2.036 20 0 FEADMM Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000282231577 551198719 /nfs/dbraw/zinc/19/87/19/551198719.db2.gz HMHJVDOVEBRLQK-MRDQGFSESA-N -1 1 369.446 2.225 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CSC2(C)C)cc1[N-]S(C)(=O)=O ZINC000282809609 551272778 /nfs/dbraw/zinc/27/27/78/551272778.db2.gz JDLYQAXAZQVCOW-LBPRGKRZSA-N -1 1 359.473 2.082 20 0 FEADMM CC(C)(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282953457 551289568 /nfs/dbraw/zinc/28/95/68/551289568.db2.gz QSUZTJAIGGXWIR-CYBMUJFWSA-N -1 1 358.442 2.181 20 0 FEADMM COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc(Br)c([O-])c1 ZINC000497695133 561506535 /nfs/dbraw/zinc/50/65/35/561506535.db2.gz AAJNPNRVLPLZQT-MRVPVSSYSA-N -1 1 352.131 2.081 20 0 FEADMM COC[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000283688805 551409739 /nfs/dbraw/zinc/40/97/39/551409739.db2.gz SUVKZMSEDSYWFB-CMPLNLGQSA-N -1 1 350.802 2.470 20 0 FEADMM Cn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000284210255 551504807 /nfs/dbraw/zinc/50/48/07/551504807.db2.gz IDYUHPRHESZMSP-AAEUAGOBSA-N -1 1 359.810 2.021 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284856082 551651674 /nfs/dbraw/zinc/65/16/74/551651674.db2.gz DDNMCYJPKAPYHR-IACUBPJLSA-N -1 1 370.243 2.157 20 0 FEADMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cn1 ZINC000284968220 551679260 /nfs/dbraw/zinc/67/92/60/551679260.db2.gz CSOSBQNMQRYYER-UHFFFAOYSA-N -1 1 374.426 2.067 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2c(C)cc(C(=O)OC)cc2Cl)cn1 ZINC000285242574 551725351 /nfs/dbraw/zinc/72/53/51/551725351.db2.gz ZPCJZWGUOZWUTA-UHFFFAOYSA-N -1 1 357.819 2.452 20 0 FEADMM C[N@H+]1CCN(C(=O)c2ccc3n[nH]c(=S)n3c2)C[C@@H]1Cc1ccccc1 ZINC000285860872 551819940 /nfs/dbraw/zinc/81/99/40/551819940.db2.gz YWVQSYUZPQUAIN-INIZCTEOSA-N -1 1 367.478 2.017 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000286441226 551885797 /nfs/dbraw/zinc/88/57/97/551885797.db2.gz ICKZXVNMUKTILF-HNNXBMFYSA-N -1 1 358.398 2.432 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc2n(n1)CCCC2 ZINC000286567671 551901060 /nfs/dbraw/zinc/90/10/60/551901060.db2.gz LILGXQFDHVPSQA-UHFFFAOYSA-N -1 1 364.409 2.267 20 0 FEADMM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000286615502 551906577 /nfs/dbraw/zinc/90/65/77/551906577.db2.gz CBMHCDRPKMWGJE-DGCLKSJQSA-N -1 1 358.360 2.346 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)nc1)c1nc(C2CC2)no1 ZINC000286759520 551922978 /nfs/dbraw/zinc/92/29/78/551922978.db2.gz DSLPQFBJJCGJAM-AWEZNQCLSA-N -1 1 365.459 2.084 20 0 FEADMM O=C(C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)c1ccc([O-])cc1 ZINC000287580332 552021397 /nfs/dbraw/zinc/02/13/97/552021397.db2.gz CGONHEBDBQZZHQ-OAHLLOKOSA-N -1 1 354.410 2.257 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cccc(-n2cnnn2)c1 ZINC000499508091 561552603 /nfs/dbraw/zinc/55/26/03/561552603.db2.gz UVXXZUPBBIJFIS-UHFFFAOYSA-N -1 1 359.386 2.480 20 0 FEADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000288373872 552142448 /nfs/dbraw/zinc/14/24/48/552142448.db2.gz JYNGAMRTIRGVOQ-BOOVAVIHSA-N -1 1 363.483 2.027 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCC[C@H]1O ZINC000288413701 552149238 /nfs/dbraw/zinc/14/92/38/552149238.db2.gz LVLXSHSCQFQGGE-QZTJIDSGSA-N -1 1 374.462 2.473 20 0 FEADMM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000288599622 552182651 /nfs/dbraw/zinc/18/26/51/552182651.db2.gz NUWVIGSRXCIKDE-UHFFFAOYSA-N -1 1 357.819 2.192 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1C ZINC000288605782 552183499 /nfs/dbraw/zinc/18/34/99/552183499.db2.gz UHZQMIDGUVZAAU-UHFFFAOYSA-N -1 1 369.418 2.261 20 0 FEADMM CC(C)(C)OC(=O)NC[C@](C)(O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000289392190 552313495 /nfs/dbraw/zinc/31/34/95/552313495.db2.gz RCULRVOYBJCAFM-INIZCTEOSA-N -1 1 355.460 2.427 20 0 FEADMM O=c1nc([C@H]2CCCN(Cc3coc(-c4c(F)cccc4F)n3)C2)[nH][n-]1 ZINC000289412548 552316818 /nfs/dbraw/zinc/31/68/18/552316818.db2.gz LXQUNLWVZMPUFR-JTQLQIEISA-N -1 1 361.352 2.411 20 0 FEADMM Cn1cc(Br)cc(NC(=O)c2ccc3oc([O-])nc3c2)c1=O ZINC000500470735 561574281 /nfs/dbraw/zinc/57/42/81/561574281.db2.gz JMTZUNYIWMPJSW-UHFFFAOYSA-N -1 1 364.155 2.247 20 0 FEADMM Cc1cc(N2CC[C@H](Sc3nc(C(F)F)cc(=O)[n-]3)C2=O)n(C)n1 ZINC000289610401 552349107 /nfs/dbraw/zinc/34/91/07/552349107.db2.gz UGZOLVKXTPMTPH-VIFPVBQESA-N -1 1 355.370 2.059 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC1CCC1 ZINC000289740207 552371125 /nfs/dbraw/zinc/37/11/25/552371125.db2.gz YBJNBGNITUALSY-UHFFFAOYSA-N -1 1 351.255 2.188 20 0 FEADMM COC(=O)c1ccc(CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)[nH]1 ZINC000290379440 552469725 /nfs/dbraw/zinc/46/97/25/552469725.db2.gz HZDASHMJLPSSOQ-KWBADKCTSA-N -1 1 361.364 2.079 20 0 FEADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000500876446 561584925 /nfs/dbraw/zinc/58/49/25/561584925.db2.gz NYLBOAMPOZQYHT-UHFFFAOYSA-N -1 1 372.406 2.423 20 0 FEADMM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(=O)[nH]1 ZINC000290596242 552504201 /nfs/dbraw/zinc/50/42/01/552504201.db2.gz RBFATXFACOLOEN-PEXQALLHSA-N -1 1 359.348 2.013 20 0 FEADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)cn1 ZINC000290945975 552566577 /nfs/dbraw/zinc/56/65/77/552566577.db2.gz MCIRWMURVMEQJM-UHFFFAOYSA-N -1 1 361.471 2.334 20 0 FEADMM O=C(CCc1ccccc1O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291031981 552578532 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COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)o1 ZINC000291966079 552679564 /nfs/dbraw/zinc/67/95/64/552679564.db2.gz PYURFHGYQQMMMY-LKFCYVNXSA-N -1 1 371.436 2.109 20 0 FEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)o1 ZINC000292111121 552694851 /nfs/dbraw/zinc/69/48/51/552694851.db2.gz VPAMJPOXGBGQNR-UHFFFAOYSA-N -1 1 356.400 2.102 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000292600890 552741942 /nfs/dbraw/zinc/74/19/42/552741942.db2.gz RRGQUHDROJBXKR-ZYHUDNBSSA-N -1 1 360.380 2.310 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)c1Cl ZINC000292846149 552764456 /nfs/dbraw/zinc/76/44/56/552764456.db2.gz WAVACXIHINNWPF-UHFFFAOYSA-N -1 1 368.768 2.008 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2cnc(Cl)s2)c(C(F)(F)F)n1 ZINC000293209927 552799258 /nfs/dbraw/zinc/79/92/58/552799258.db2.gz UXFGWRSORFGMJP-UHFFFAOYSA-N -1 1 360.770 2.027 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C)c1ccco1 ZINC000293539035 552833645 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Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000331697717 554310187 /nfs/dbraw/zinc/31/01/87/554310187.db2.gz ALNJFJHXAZCAHM-NSHDSACASA-N -1 1 372.244 2.294 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCc2cc(Br)ccc21 ZINC000331697717 554310188 /nfs/dbraw/zinc/31/01/88/554310188.db2.gz ALNJFJHXAZCAHM-NSHDSACASA-N -1 1 372.244 2.294 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)c2=O ZINC000332004840 554361685 /nfs/dbraw/zinc/36/16/85/554361685.db2.gz JAIIUEKHOJRYEA-STQMWFEESA-N -1 1 356.426 2.163 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)C(=O)N3CCCC[C@@H]3C)cnc2n1 ZINC000332004840 554361688 /nfs/dbraw/zinc/36/16/88/554361688.db2.gz JAIIUEKHOJRYEA-STQMWFEESA-N -1 1 356.426 2.163 20 0 FEADMM O=S(=O)([N-]Cc1nc(CO)cs1)c1cc(Cl)sc1Cl ZINC000509775620 561813722 /nfs/dbraw/zinc/81/37/22/561813722.db2.gz WJUYKLMPWXYJIX-UHFFFAOYSA-N -1 1 359.281 2.482 20 0 FEADMM COC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000509840429 561815602 /nfs/dbraw/zinc/81/56/02/561815602.db2.gz QIVRCADSZUGDNW-UHFFFAOYSA-N -1 1 360.435 2.267 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCc1nccs1 ZINC000509968419 561820144 /nfs/dbraw/zinc/82/01/44/561820144.db2.gz LPJQJSLSNGFJDA-UHFFFAOYSA-N -1 1 369.450 2.301 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(OCC(F)(F)F)c1 ZINC000509964413 561820188 /nfs/dbraw/zinc/82/01/88/561820188.db2.gz RAXAWEKHNSGGPF-UHFFFAOYSA-N -1 1 369.299 2.097 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2CN2CCNC2=O)c1 ZINC000510084086 561824462 /nfs/dbraw/zinc/82/44/62/561824462.db2.gz VVVWFHNISZEHBU-UHFFFAOYSA-N -1 1 363.414 2.460 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)n1 ZINC000332603264 554481666 /nfs/dbraw/zinc/48/16/66/554481666.db2.gz IFHBQBUXMZZLIY-ZYHUDNBSSA-N -1 1 352.460 2.241 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)[C@@H](C)COC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510471603 561835718 /nfs/dbraw/zinc/83/57/18/561835718.db2.gz JMGKWDWHMHBWBY-NHYWBVRUSA-N -1 1 363.863 2.073 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cc([C@@H]4CCCOC4)n[nH]3)cn21 ZINC000333167069 554582549 /nfs/dbraw/zinc/58/25/49/554582549.db2.gz MYESHUJDRVWLPM-VXGBXAGGSA-N -1 1 365.459 2.198 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC2(CCOCC2)C1)c1sccc1Cl ZINC000333480487 554617235 /nfs/dbraw/zinc/61/72/35/554617235.db2.gz XUTCXILDEAYUNI-JTQLQIEISA-N -1 1 351.877 2.408 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)o1 ZINC000511044313 561854720 /nfs/dbraw/zinc/85/47/20/561854720.db2.gz PKKJBSXFAUQEPR-QMMMGPOBSA-N -1 1 360.338 2.169 20 0 FEADMM CC[C@H]1CCCC[C@@H]1c1noc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000349729979 554739513 /nfs/dbraw/zinc/73/95/13/554739513.db2.gz HPHWWKDGOJDZRY-STQMWFEESA-N -1 1 367.475 2.274 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2cnn(C)c2)no1 ZINC000349825340 554744414 /nfs/dbraw/zinc/74/44/14/554744414.db2.gz PXECGAWXOSFMTQ-UHFFFAOYSA-N -1 1 363.381 2.121 20 0 FEADMM COc1ncccc1Cc1noc(CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC000350483423 554791768 /nfs/dbraw/zinc/79/17/68/554791768.db2.gz PLJAWGVLRFCLSJ-UHFFFAOYSA-N -1 1 373.438 2.375 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1C(N)=O ZINC000511242626 561862609 /nfs/dbraw/zinc/86/26/09/561862609.db2.gz SUQQPFRNWUENHA-UHFFFAOYSA-N -1 1 373.390 2.250 20 0 FEADMM COC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000511245698 561862618 /nfs/dbraw/zinc/86/26/18/561862618.db2.gz CLBIOCGMQFZSNF-UHFFFAOYSA-N -1 1 364.398 2.097 20 0 FEADMM COCc1ncc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c(N)n1 ZINC000350764148 554811575 /nfs/dbraw/zinc/81/15/75/554811575.db2.gz RCVYGTFBRHOLOP-UHFFFAOYSA-N -1 1 363.761 2.290 20 0 FEADMM COc1cc(-c2noc([C@@H]3CCC(=O)NC3)n2)cc(Br)c1[O-] ZINC000350781711 554812996 /nfs/dbraw/zinc/81/29/96/554812996.db2.gz PLGYFEQXPNSJQP-SSDOTTSWSA-N -1 1 368.187 2.207 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CCCOC2)no1 ZINC000350849008 554817750 /nfs/dbraw/zinc/81/77/50/554817750.db2.gz RIBOHQROXDAHMY-CYBMUJFWSA-N -1 1 353.382 2.008 20 0 FEADMM Cc1nc([C@H](NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000360023966 554860200 /nfs/dbraw/zinc/86/02/00/554860200.db2.gz TXKBNASVDSJGRY-QGZVFWFLSA-N -1 1 350.378 2.260 20 0 FEADMM CCCC(=O)N1CCCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000363439043 555105695 /nfs/dbraw/zinc/10/56/95/555105695.db2.gz YXFNNQIJTYZILH-UHFFFAOYSA-N -1 1 356.426 2.118 20 0 FEADMM CCCC(=O)N1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000363439043 555105698 /nfs/dbraw/zinc/10/56/98/555105698.db2.gz YXFNNQIJTYZILH-UHFFFAOYSA-N -1 1 356.426 2.118 20 0 FEADMM CC(C)(CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)Cc1ccc(Cl)cc1 ZINC000363686677 555163930 /nfs/dbraw/zinc/16/39/30/555163930.db2.gz MAYUXEHWURWOFP-AWEZNQCLSA-N -1 1 363.849 2.412 20 0 FEADMM COc1ccc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC000363750380 555178346 /nfs/dbraw/zinc/17/83/46/555178346.db2.gz KGYBENHXKXJRJB-UHFFFAOYSA-N -1 1 354.406 2.460 20 0 FEADMM COC(=O)CSCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363854446 555199872 /nfs/dbraw/zinc/19/98/72/555199872.db2.gz MMALVTITDIZMDK-UHFFFAOYSA-N -1 1 365.451 2.110 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc2)n[nH]1 ZINC000364050938 555240454 /nfs/dbraw/zinc/24/04/54/555240454.db2.gz FKEXPHISYHYLBO-AWEZNQCLSA-N -1 1 364.377 2.459 20 0 FEADMM Cc1nnc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc2)[nH]1 ZINC000364050938 555240456 /nfs/dbraw/zinc/24/04/56/555240456.db2.gz FKEXPHISYHYLBO-AWEZNQCLSA-N -1 1 364.377 2.459 20 0 FEADMM CCc1c(C(=O)N=c2[nH][n-]c(C)c2Br)[nH]c(C)c1C(N)=O ZINC000616007609 555262958 /nfs/dbraw/zinc/26/29/58/555262958.db2.gz VKLUGXBDXFASHH-UHFFFAOYSA-N -1 1 354.208 2.031 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCCN2C(=O)C(C)C)c1Br ZINC000616010585 555263192 /nfs/dbraw/zinc/26/31/92/555263192.db2.gz OVOGUTHXNHDEKO-SNVBAGLBSA-N -1 1 357.252 2.456 20 0 FEADMM CCCC(=O)N1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2Br)C1 ZINC000616011146 555263499 /nfs/dbraw/zinc/26/34/99/555263499.db2.gz VXVTXXRBRLHVEF-SNVBAGLBSA-N -1 1 357.252 2.458 20 0 FEADMM CCc1cc(=NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)[nH][nH]1 ZINC000616351649 555294892 /nfs/dbraw/zinc/29/48/92/555294892.db2.gz ARENYDPJHIRIDN-UHFFFAOYSA-N -1 1 352.398 2.409 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)cc(Cl)c1[O-] ZINC000364762730 555396128 /nfs/dbraw/zinc/39/61/28/555396128.db2.gz SCCIWQVQJYCKMD-DIFFPNOSSA-N -1 1 355.818 2.464 20 0 FEADMM O=C(Cn1cncn1)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000617361889 555426227 /nfs/dbraw/zinc/42/62/27/555426227.db2.gz SBPONBLVNCDUNZ-UHFFFAOYSA-N -1 1 353.205 2.131 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 ZINC000365116561 555489316 /nfs/dbraw/zinc/48/93/16/555489316.db2.gz KCAMEZZXCNWTEN-UHFFFAOYSA-N -1 1 374.422 2.052 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCSCC[C@@H]1C ZINC000365141976 555493799 /nfs/dbraw/zinc/49/37/99/555493799.db2.gz DGWXXFKTMXXGSC-LBPRGKRZSA-N -1 1 358.467 2.037 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)[nH]c21 ZINC000512930256 561919995 /nfs/dbraw/zinc/91/99/95/561919995.db2.gz QECMIOZVWNZNOE-UHFFFAOYSA-N -1 1 373.390 2.353 20 0 FEADMM COC(=O)c1[n-]c(=N[C@H]2CCN(c3ncccc3Cl)C2)sc1C ZINC000365486666 555588274 /nfs/dbraw/zinc/58/82/74/555588274.db2.gz QOORBODGDOZCBP-JTQLQIEISA-N -1 1 352.847 2.977 20 0 FEADMM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000365795579 555669310 /nfs/dbraw/zinc/66/93/10/555669310.db2.gz NQGAOGVHPWAWRG-CYBMUJFWSA-N -1 1 366.396 2.319 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2-c2nnc[nH]2)c1 ZINC000365833623 555678717 /nfs/dbraw/zinc/67/87/17/555678717.db2.gz NZHYIAJGPSNYEX-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3C[C@H](C)OC4(CCOCC4)C3)c2=O)[nH+]1 ZINC000365932026 555704005 /nfs/dbraw/zinc/70/40/05/555704005.db2.gz ZNHIDDPITDWPKX-ZDUSSCGKSA-N -1 1 357.410 2.054 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)OC4(CCOCC4)C3)cnc2n1 ZINC000365932026 555704007 /nfs/dbraw/zinc/70/40/07/555704007.db2.gz ZNHIDDPITDWPKX-ZDUSSCGKSA-N -1 1 357.410 2.054 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)co1 ZINC000366134208 555761165 /nfs/dbraw/zinc/76/11/65/555761165.db2.gz FBPLNYXHIJWTGN-SFHVURJKSA-N -1 1 362.451 2.300 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000366254042 555793936 /nfs/dbraw/zinc/79/39/36/555793936.db2.gz GILHNSQOHPOUHL-ZPFDUUQYSA-N -1 1 372.391 2.134 20 0 FEADMM COC(=O)c1cscc1[N-]S(=O)(=O)CC[C@H]1CCCCN1C(C)=O ZINC000366299405 555805684 /nfs/dbraw/zinc/80/56/84/555805684.db2.gz CKCFCXKLGKMKHA-GFCCVEGCSA-N -1 1 374.484 2.068 20 0 FEADMM CS(=O)(=O)CC[C@H]1CCCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000366429920 555841282 /nfs/dbraw/zinc/84/12/82/555841282.db2.gz ILKHPNCUCVAIMI-CQSZACIVSA-N -1 1 365.451 2.288 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](CO)CC1CCCC1 ZINC000513926958 561955104 /nfs/dbraw/zinc/95/51/04/561955104.db2.gz AKTBFVOOYBMLTO-INIZCTEOSA-N -1 1 370.453 2.153 20 0 FEADMM O=C(NCCc1ccon1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000513972539 561957035 /nfs/dbraw/zinc/95/70/35/561957035.db2.gz FGPCOZNOZPIQBE-UHFFFAOYSA-N -1 1 371.418 2.448 20 0 FEADMM CN1C[C@@H](C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CC1=O ZINC000620205986 555907172 /nfs/dbraw/zinc/90/71/72/555907172.db2.gz XQWVDZUEUUOOLU-ZETCQYMHSA-N -1 1 369.244 2.318 20 0 FEADMM O=C(N[C@@H]1CCCc2c1cnn2CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000367699583 556117761 /nfs/dbraw/zinc/11/77/61/556117761.db2.gz RBNKDXVTLWEXGN-CYBMUJFWSA-N -1 1 369.343 2.407 20 0 FEADMM COCCCO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000367743013 556127887 /nfs/dbraw/zinc/12/78/87/556127887.db2.gz YGJNLNHWUYVUDJ-HOCLYGCPSA-N -1 1 354.834 2.334 20 0 FEADMM COC(=O)[C@H]1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc21 ZINC000367821479 556147616 /nfs/dbraw/zinc/14/76/16/556147616.db2.gz NWOHPFUKLJMFSK-GOEBONIOSA-N -1 1 363.373 2.055 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3c(F)ccc(F)c3Cl)CC2)s[n-]1 ZINC000621906520 556182174 /nfs/dbraw/zinc/18/21/74/556182174.db2.gz NPRAOHCTDHLXDY-UHFFFAOYSA-N -1 1 359.789 2.014 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCCSC1 ZINC000368044637 556202832 /nfs/dbraw/zinc/20/28/32/556202832.db2.gz LMARLHHAEJSGBM-ZDUSSCGKSA-N -1 1 358.467 2.355 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000368241544 556256514 /nfs/dbraw/zinc/25/65/14/556256514.db2.gz ODQISYRWQPQBFO-CABCVRRESA-N -1 1 365.407 2.265 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@H](C3CCC3)C2)c(=O)[n-]1 ZINC000368355869 556286312 /nfs/dbraw/zinc/28/63/12/556286312.db2.gz RXWXVGVUKDFURV-CQSZACIVSA-N -1 1 365.499 2.420 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc(O)cc1F ZINC000368502486 556328641 /nfs/dbraw/zinc/32/86/41/556328641.db2.gz MRSDTIOORCBZII-CYBMUJFWSA-N -1 1 365.727 2.356 20 0 FEADMM CCO[C@@H]1C[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000515364115 562007223 /nfs/dbraw/zinc/00/72/23/562007223.db2.gz WJNYKAUAWPYBDW-DLBZAZTESA-N -1 1 360.435 2.395 20 0 FEADMM COCCn1ncc2c1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)CCC2 ZINC000368845059 556428080 /nfs/dbraw/zinc/42/80/80/556428080.db2.gz UEOCOEHRBQJVSO-AWEZNQCLSA-N -1 1 371.409 2.164 20 0 FEADMM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000369514672 556616489 /nfs/dbraw/zinc/61/64/89/556616489.db2.gz CXJAMLQVWYSHPA-GOSISDBHSA-N -1 1 371.485 2.026 20 0 FEADMM OCC1(CO)CC(N=c2[n-]c(C(F)(F)F)c(Br)s2)C1 ZINC000624696796 556625809 /nfs/dbraw/zinc/62/58/09/556625809.db2.gz KBJZCZAOCDFLPB-UHFFFAOYSA-N -1 1 361.183 2.470 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(c1)ncn2C ZINC000369818391 556703862 /nfs/dbraw/zinc/70/38/62/556703862.db2.gz YOKJRPWZLMZFGD-UHFFFAOYSA-N -1 1 374.404 2.208 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370852847 556991286 /nfs/dbraw/zinc/99/12/86/556991286.db2.gz PLEFXXJHMPLYAE-TVQRCGJNSA-N -1 1 370.240 2.285 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(=O)[nH]1 ZINC000371089601 557071943 /nfs/dbraw/zinc/07/19/43/557071943.db2.gz UKZLPVFWEPDSSZ-MRXNPFEDSA-N -1 1 372.494 2.448 20 0 FEADMM CO[C@@H]1C[C@H](C(=O)[O-])N(CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000517382531 562087778 /nfs/dbraw/zinc/08/77/78/562087778.db2.gz YMLURDSLRUDPQK-UKRRQHHQSA-N -1 1 363.389 2.291 20 0 FEADMM COc1cc(OC)cc(OCCNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000517438846 562090235 /nfs/dbraw/zinc/09/02/35/562090235.db2.gz MEBSFMYOYDBCSE-UHFFFAOYSA-N -1 1 353.321 2.496 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(N(C)C)cn1 ZINC000371483566 557195532 /nfs/dbraw/zinc/19/55/32/557195532.db2.gz RKRKJVUJOMYDLC-UHFFFAOYSA-N -1 1 364.409 2.195 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@@H](OC)CC2)cc1[N-]S(C)(=O)=O ZINC000371685668 557263111 /nfs/dbraw/zinc/26/31/11/557263111.db2.gz NMIKURHVEAASMX-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000371851532 557311339 /nfs/dbraw/zinc/31/13/39/557311339.db2.gz GNPWZJKEORQCRB-UHFFFAOYSA-N -1 1 360.863 2.145 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000371851532 557311342 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557407468 /nfs/dbraw/zinc/40/74/68/557407468.db2.gz CTIUHDTZSDJQCB-UHFFFAOYSA-N -1 1 366.377 2.034 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000372228969 557416012 /nfs/dbraw/zinc/41/60/12/557416012.db2.gz RUGLHGNKDCGREB-ISVAXAHUSA-N -1 1 355.343 2.006 20 0 FEADMM Cc1ccc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1Br ZINC000372278086 557427865 /nfs/dbraw/zinc/42/78/65/557427865.db2.gz NYFOAMWUDFHWCH-GFCCVEGCSA-N -1 1 364.247 2.219 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC12CCC(CC1)C2 ZINC000372299488 557433586 /nfs/dbraw/zinc/43/35/86/557433586.db2.gz ZNDDMJQZOPYQKF-UHFFFAOYSA-N -1 1 352.438 2.379 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000519435878 562131857 /nfs/dbraw/zinc/13/18/57/562131857.db2.gz BDEPSEKXNBISBI-AWEZNQCLSA-N -1 1 363.421 2.297 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1ccncc1 ZINC000519435879 562131967 /nfs/dbraw/zinc/13/19/67/562131967.db2.gz BDEPSEKXNBISBI-CQSZACIVSA-N -1 1 363.421 2.297 20 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ZINC000525415255 562247768 /nfs/dbraw/zinc/24/77/68/562247768.db2.gz IBJDBPAZMDTIKQ-SNVBAGLBSA-N -1 1 359.473 2.036 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1C ZINC000525532027 562249915 /nfs/dbraw/zinc/24/99/15/562249915.db2.gz WGEWUOOYKBXABW-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(CC(C)C)c[nH]2)c1 ZINC000412359253 559030815 /nfs/dbraw/zinc/03/08/15/559030815.db2.gz GIKZQCNZZBRPCN-UHFFFAOYSA-N -1 1 351.428 2.079 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H]([C@H](O)C(F)(F)F)C3)cnc2n1 ZINC000412398558 559033151 /nfs/dbraw/zinc/03/31/51/559033151.db2.gz GVGXPQIZCBGADS-RNCFNFMXSA-N -1 1 355.316 2.029 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H]([C@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000412398558 559033152 /nfs/dbraw/zinc/03/31/52/559033152.db2.gz GVGXPQIZCBGADS-RNCFNFMXSA-N -1 1 355.316 2.029 20 0 FEADMM CO[C@](C)([C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000412616130 559046668 /nfs/dbraw/zinc/04/66/68/559046668.db2.gz RTYXAKXQRRVXCV-APPDUMDISA-N -1 1 372.487 2.290 20 0 FEADMM CCNC(=O)c1ccc(=NCCOc2cccc(C(F)(F)F)c2)[n-]n1 ZINC000413087605 559076705 /nfs/dbraw/zinc/07/67/05/559076705.db2.gz ZQKMQRGEWFTMSP-UHFFFAOYSA-N -1 1 354.332 2.736 20 0 FEADMM CCOc1cc(C(=O)NC(C)(C)CN2CCOCC2)cc(Cl)c1[O-] ZINC000413967506 559143941 /nfs/dbraw/zinc/14/39/41/559143941.db2.gz QEUPKFKYSADMFQ-UHFFFAOYSA-N -1 1 356.850 2.285 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)c1C ZINC000414454617 559165045 /nfs/dbraw/zinc/16/50/45/559165045.db2.gz OIEQMHLKRCDMGA-UHFFFAOYSA-N -1 1 370.862 2.403 20 0 FEADMM CC(C)[C@@H]1CN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CCN1C ZINC000414628087 559176357 /nfs/dbraw/zinc/17/63/57/559176357.db2.gz RYSUPXFPKLYHFF-MSOLQXFVSA-N -1 1 361.486 2.444 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)n1 ZINC000415645750 559257813 /nfs/dbraw/zinc/25/78/13/559257813.db2.gz IUWRDSATKWUDOW-LBPRGKRZSA-N -1 1 357.414 2.470 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000416149127 559294508 /nfs/dbraw/zinc/29/45/08/559294508.db2.gz WAIDJCCOUYQWAB-UHFFFAOYSA-N -1 1 361.373 2.130 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000416165685 559295601 /nfs/dbraw/zinc/29/56/01/559295601.db2.gz HJRFWTMSZFKISH-QPUJVOFHSA-N -1 1 367.789 2.056 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000416231389 559300062 /nfs/dbraw/zinc/30/00/62/559300062.db2.gz BEKDZUXSVDDDNA-NSHDSACASA-N -1 1 361.398 2.217 20 0 FEADMM CCCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@@H]1CCCC[C@H]1OC ZINC000416240454 559300591 /nfs/dbraw/zinc/30/05/91/559300591.db2.gz BPSWLSIBXLJMHS-VXGBXAGGSA-N -1 1 353.419 2.096 20 0 FEADMM COc1cc(C(=O)NCC(C)(C)C2(O)CCOCC2)cc(Cl)c1[O-] ZINC000416312924 559305143 /nfs/dbraw/zinc/30/51/43/559305143.db2.gz SFUVGYRIFQTKSQ-UHFFFAOYSA-N -1 1 357.834 2.352 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)Nc3cc(C(=O)[O-])ccc3F)cn21 ZINC000416405805 559310478 /nfs/dbraw/zinc/31/04/78/559310478.db2.gz CWLJSHQNMJOPEU-SECBINFHSA-N -1 1 353.375 2.419 20 0 FEADMM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000416515765 559319228 /nfs/dbraw/zinc/31/92/28/559319228.db2.gz BAOKBHMVHBSTFL-UHFFFAOYSA-N -1 1 357.234 2.326 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)o1 ZINC000416648470 559327457 /nfs/dbraw/zinc/32/74/57/559327457.db2.gz NKJFBVJATCCDRE-ZDUSSCGKSA-N -1 1 351.380 2.006 20 0 FEADMM Cc1ccccc1-n1cc(CNCCc2ccc(OCC(=O)[O-])cc2)nn1 ZINC000417527194 559366062 /nfs/dbraw/zinc/36/60/62/559366062.db2.gz DKZDKYKXODXXCB-UHFFFAOYSA-N -1 1 366.421 2.371 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C ZINC000420752354 559502308 /nfs/dbraw/zinc/50/23/08/559502308.db2.gz PYAPXBYEDQRBKK-SJORKVTESA-N -1 1 371.499 2.140 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1 ZINC000421143497 559526527 /nfs/dbraw/zinc/52/65/27/559526527.db2.gz ALPXWYPBXQSUFT-WAIKUNEKSA-N -1 1 367.492 2.423 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c1 ZINC000421147743 559526752 /nfs/dbraw/zinc/52/67/52/559526752.db2.gz FWQUYICEQCJYAK-QGZVFWFLSA-N -1 1 351.424 2.400 20 0 FEADMM CCc1nc(=NC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)[n-][nH]1 ZINC000421788747 559553581 /nfs/dbraw/zinc/55/35/81/559553581.db2.gz YLEYAWUPMULFLY-UHFFFAOYSA-N -1 1 354.389 2.823 20 0 FEADMM O=C([O-])CC[C@H]1CCCCN1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000424252337 559659468 /nfs/dbraw/zinc/65/94/68/559659468.db2.gz DGFRMFRBRREFND-OAHLLOKOSA-N -1 1 373.453 2.471 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](n2ccnn2)C1 ZINC000424999618 559683066 /nfs/dbraw/zinc/68/30/66/559683066.db2.gz HMJKGILSGANDLW-NSHDSACASA-N -1 1 351.204 2.224 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc2)c1C ZINC000425062150 559685945 /nfs/dbraw/zinc/68/59/45/559685945.db2.gz SDQIIISLDDGULY-QZTJIDSGSA-N -1 1 374.462 2.357 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccccn3)C2)c(F)c1 ZINC000425164462 559689104 /nfs/dbraw/zinc/68/91/04/559689104.db2.gz FHUMUJOUPJSFEO-GFCCVEGCSA-N -1 1 353.394 2.225 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2nnc3n2CCCC3)c(F)c1 ZINC000425183238 559689889 /nfs/dbraw/zinc/68/98/89/559689889.db2.gz GBMZOHDDQGRBCN-UHFFFAOYSA-N -1 1 370.425 2.415 20 0 FEADMM COC(=O)[C@H]1CSCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000425266026 559694185 /nfs/dbraw/zinc/69/41/85/559694185.db2.gz GQMVDWLLBYBKGO-GOEBONIOSA-N -1 1 372.494 2.992 20 0 FEADMM O=C(CCc1cc2ccccc2[nH]c1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293112 559695045 /nfs/dbraw/zinc/69/50/45/559695045.db2.gz BCGJXQGUOBVXHK-AWEZNQCLSA-N -1 1 368.393 2.368 20 0 FEADMM CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cn1 ZINC000425294610 559695187 /nfs/dbraw/zinc/69/51/87/559695187.db2.gz DQUMLBURSFWJSE-GFCCVEGCSA-N -1 1 373.413 2.175 20 0 FEADMM C[C@H]1CCN(c2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)ccn2)C1 ZINC000425304254 559695691 /nfs/dbraw/zinc/69/56/91/559695691.db2.gz PWLFFINXEMOLRA-GXTWGEPZSA-N -1 1 357.414 2.036 20 0 FEADMM O=C(c1ccn(CCc2ccccc2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425304602 559695752 /nfs/dbraw/zinc/69/57/52/559695752.db2.gz QAZNNRRXXZYOMU-HNNXBMFYSA-N -1 1 367.409 2.234 20 0 FEADMM CN(C)[C@@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1cccc(Cl)c1 ZINC000425306161 559695769 /nfs/dbraw/zinc/69/57/69/559695769.db2.gz RUIFYMICUNKHPD-GXTWGEPZSA-N -1 1 364.833 2.438 20 0 FEADMM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425316003 559696236 /nfs/dbraw/zinc/69/62/36/559696236.db2.gz BSVGMJKPJDKRIJ-ZDUSSCGKSA-N -1 1 366.462 2.058 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cnn1C ZINC000427315631 559753130 /nfs/dbraw/zinc/75/31/30/559753130.db2.gz OPQAHQSDONHBKU-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM CN1CCO[C@H]([C@@H](NC(=O)c2ncccc2[O-])c2ccc(Cl)cc2)C1 ZINC000427553309 559757925 /nfs/dbraw/zinc/75/79/25/559757925.db2.gz NSQHVYWANRGSAW-HOTGVXAUSA-N -1 1 361.829 2.242 20 0 FEADMM COCCOc1ccccc1N1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000427775777 559762147 /nfs/dbraw/zinc/76/21/47/559762147.db2.gz GZGWRPHDXPAHOO-UHFFFAOYSA-N -1 1 371.437 2.083 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000427904259 559765023 /nfs/dbraw/zinc/76/50/23/559765023.db2.gz UAMOVJJAFQDXPE-IHWYPQMZSA-N -1 1 364.398 2.481 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)sc1Br ZINC000428370893 559774024 /nfs/dbraw/zinc/77/40/24/559774024.db2.gz SKHLYSAOAIDYAV-ZCFIWIBFSA-N -1 1 364.233 2.113 20 0 FEADMM Cc1cc(C(=O)N=c2nc(C)[nH][n-]2)nn1-c1ccc(Br)cc1 ZINC000431021370 559832527 /nfs/dbraw/zinc/83/25/27/559832527.db2.gz IRDSYQOIKIBKPE-UHFFFAOYSA-N -1 1 361.203 2.622 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NCCOc2ncccc2Cl)[n-]n1 ZINC000432058896 559851129 /nfs/dbraw/zinc/85/11/29/559851129.db2.gz CLVHSEWQRAFYRU-UHFFFAOYSA-N -1 1 361.833 2.688 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000432662670 559862729 /nfs/dbraw/zinc/86/27/29/559862729.db2.gz ZXKWDRCMDCBODD-UHFFFAOYSA-N -1 1 363.439 2.346 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)c1 ZINC000433505932 559883252 /nfs/dbraw/zinc/88/32/52/559883252.db2.gz CVONFPFTLSPEGC-CYBMUJFWSA-N -1 1 362.451 2.160 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)sc1C ZINC000433772901 559887648 /nfs/dbraw/zinc/88/76/48/559887648.db2.gz CLWHZMBYLSLVAJ-SECBINFHSA-N -1 1 367.377 2.734 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCC3CCC3)c2)n1 ZINC000434104881 559894309 /nfs/dbraw/zinc/89/43/09/559894309.db2.gz VGJHSZVKSGGRBO-UHFFFAOYSA-N -1 1 357.414 2.248 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1 ZINC000435207609 559917998 /nfs/dbraw/zinc/91/79/98/559917998.db2.gz SAIVQBVSVCLXKC-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM CC1(C)CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000435469916 559923741 /nfs/dbraw/zinc/92/37/41/559923741.db2.gz XPXIFKFGIPVBCJ-UHFFFAOYSA-N -1 1 374.890 2.439 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2cn(C)c3cc(Cl)ccc23)[n-]n1 ZINC000436409664 559941159 /nfs/dbraw/zinc/94/11/59/559941159.db2.gz AMKWNOZZUWYQIJ-UHFFFAOYSA-N -1 1 357.845 3.026 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)Nc2cc(-c3nc[nH]n3)ccc2F)c1 ZINC000436477368 559942491 /nfs/dbraw/zinc/94/24/91/559942491.db2.gz LIPDGMFGYDYYOK-UHFFFAOYSA-N -1 1 364.358 2.126 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cn2cnc(-c3ccccc3)n2)c1 ZINC000436512056 559943802 /nfs/dbraw/zinc/94/38/02/559943802.db2.gz XLZXOGLHUDAIPR-UHFFFAOYSA-N -1 1 352.350 2.076 20 0 FEADMM NC(=O)[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC000436540576 559944744 /nfs/dbraw/zinc/94/47/44/559944744.db2.gz SFNXGZAJHKHILU-CYBMUJFWSA-N -1 1 367.174 2.250 20 0 FEADMM O=C(NCc1ccc(OCCO)cc1)c1ccc(Br)cc1[O-] ZINC000436563515 559945192 /nfs/dbraw/zinc/94/51/92/559945192.db2.gz HNAMYOQRTWKTBB-UHFFFAOYSA-N -1 1 366.211 2.456 20 0 FEADMM CC(C)(NC(=O)c1cc(CCc2ccccc2)ccc1O)c1nn[n-]n1 ZINC000436580230 559945820 /nfs/dbraw/zinc/94/58/20/559945820.db2.gz AXXNZFFDFKBNOE-UHFFFAOYSA-N -1 1 351.410 2.356 20 0 FEADMM COc1ccc(C[C@@H](CO)CNC(=O)c2cc(Cl)ccc2[O-])cc1O ZINC000436583657 559946028 /nfs/dbraw/zinc/94/60/28/559946028.db2.gz KORNTTIYBJESTF-GFCCVEGCSA-N -1 1 365.813 2.341 20 0 FEADMM COC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C(=O)OC ZINC000436598329 559946113 /nfs/dbraw/zinc/94/61/13/559946113.db2.gz SVZKIIQIEOQTOR-HOCLYGCPSA-N -1 1 371.389 2.112 20 0 FEADMM COCCNC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436610918 559946675 /nfs/dbraw/zinc/94/66/75/559946675.db2.gz VRNDBYOKOFJJRI-KRWDZBQOSA-N -1 1 358.438 2.453 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(Br)cc1[O-] ZINC000436661373 559947980 /nfs/dbraw/zinc/94/79/80/559947980.db2.gz FSYBXYUMVUWPQP-QMMMGPOBSA-N -1 1 370.121 2.379 20 0 FEADMM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436685228 559948711 /nfs/dbraw/zinc/94/87/11/559948711.db2.gz KZFAQTRXMAOLTO-AWEZNQCLSA-N -1 1 362.451 2.089 20 0 FEADMM CN(C)S(=O)(=O)c1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436690397 559949044 /nfs/dbraw/zinc/94/90/44/559949044.db2.gz QDNHZCWKYFGFPY-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM CC(C)c1cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])on1 ZINC000436706141 559949330 /nfs/dbraw/zinc/94/93/30/559949330.db2.gz UNFWTVKPUQEEPM-UHFFFAOYSA-N -1 1 365.411 2.197 20 0 FEADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436709739 559949647 /nfs/dbraw/zinc/94/96/47/559949647.db2.gz WIQQNUPPMODCFK-OAHLLOKOSA-N -1 1 356.353 2.026 20 0 FEADMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436707194 559949706 /nfs/dbraw/zinc/94/97/06/559949706.db2.gz WZBSOTAIYPKPTL-OAHLLOKOSA-N -1 1 358.781 2.150 20 0 FEADMM COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccccc1[O-] ZINC000436715985 559949747 /nfs/dbraw/zinc/94/97/47/559949747.db2.gz RGUPQXOGARVNLY-UHFFFAOYSA-N -1 1 365.407 2.073 20 0 FEADMM NC(=O)NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436713989 559949780 /nfs/dbraw/zinc/94/97/80/559949780.db2.gz GWVPHZSFNGRZMP-UHFFFAOYSA-N -1 1 367.283 2.472 20 0 FEADMM O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000436728375 559950139 /nfs/dbraw/zinc/95/01/39/559950139.db2.gz KUGQDSYSHFCYDN-ZDUSSCGKSA-N -1 1 361.195 2.300 20 0 FEADMM CCNC(=O)C1(CNC(=O)c2cc(Br)ccc2[O-])CCC1 ZINC000436742910 559950654 /nfs/dbraw/zinc/95/06/54/559950654.db2.gz YSTJEBFMIHNHFF-UHFFFAOYSA-N -1 1 355.232 2.191 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)ccc1O ZINC000436756960 559951071 /nfs/dbraw/zinc/95/10/71/559951071.db2.gz TYMITPDPXKPSGG-UHFFFAOYSA-N -1 1 363.391 2.491 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1nccn2ccnc12 ZINC000436788527 559951984 /nfs/dbraw/zinc/95/19/84/559951984.db2.gz BCXPESSHLFUJCD-UHFFFAOYSA-N -1 1 355.745 2.126 20 0 FEADMM Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000436883824 559955314 /nfs/dbraw/zinc/95/53/14/559955314.db2.gz IILBOFIOPOMQHZ-KBPBESRZSA-N -1 1 366.824 2.122 20 0 FEADMM COc1ccc(NC(=O)c2cccc(OC)c2O)cc1[N-]S(C)(=O)=O ZINC000436898288 559955640 /nfs/dbraw/zinc/95/56/40/559955640.db2.gz GBDGRRWQMQLDFL-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM Cc1ccc2snc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c2c1 ZINC000436905016 559956079 /nfs/dbraw/zinc/95/60/79/559956079.db2.gz MZYRGPUYIHTZCI-UHFFFAOYSA-N -1 1 363.420 2.210 20 0 FEADMM O=C(Cn1cccn1)Nc1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000436959722 559957468 /nfs/dbraw/zinc/95/74/68/559957468.db2.gz NRVRQBJZPKMVDP-UHFFFAOYSA-N -1 1 368.368 2.297 20 0 FEADMM COc1cccc([C@@H](C)N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436979691 559958217 /nfs/dbraw/zinc/95/82/17/559958217.db2.gz LCKPDFXGCMHIGW-OAHLLOKOSA-N -1 1 368.433 2.489 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c(C)c1F ZINC000436997107 559959173 /nfs/dbraw/zinc/95/91/73/559959173.db2.gz VOCFCWATKSIJIE-UHFFFAOYSA-N -1 1 355.343 2.347 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)o1 ZINC000437305072 559963187 /nfs/dbraw/zinc/96/31/87/559963187.db2.gz FBZUMLJDTDHUES-GLKRBJQHSA-N -1 1 365.407 2.298 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)[C@@H](O)Cc3ccccc3)cnc2n1 ZINC000438357580 559977808 /nfs/dbraw/zinc/97/78/08/559977808.db2.gz LTENWIQKHBGYFR-GUYCJALGSA-N -1 1 351.406 2.366 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1)c2=O ZINC000438357580 559977809 /nfs/dbraw/zinc/97/78/09/559977809.db2.gz LTENWIQKHBGYFR-GUYCJALGSA-N -1 1 351.406 2.366 20 0 FEADMM CCc1ncsc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000441815037 560039514 /nfs/dbraw/zinc/03/95/14/560039514.db2.gz AOXLMXIKXQXMLW-UHFFFAOYSA-N -1 1 355.441 2.338 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)Cc1ccccc1 ZINC000443119804 560071605 /nfs/dbraw/zinc/07/16/05/560071605.db2.gz MNUJOWBDGTXAIE-UHFFFAOYSA-N -1 1 365.455 2.134 20 0 FEADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)nc1)C(F)(F)F ZINC000443940067 560096904 /nfs/dbraw/zinc/09/69/04/560096904.db2.gz RSJMKFUOALVDOC-KCJUWKMLSA-N -1 1 354.350 2.124 20 0 FEADMM CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000444296712 560108561 /nfs/dbraw/zinc/10/85/61/560108561.db2.gz HAKFXQVRGGEXSR-UHFFFAOYSA-N -1 1 359.821 2.471 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444512441 560114876 /nfs/dbraw/zinc/11/48/76/560114876.db2.gz HTNRDWLNOKAGQG-HNNXBMFYSA-N -1 1 357.373 2.210 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1F ZINC000446150125 560140723 /nfs/dbraw/zinc/14/07/23/560140723.db2.gz TYCRPZQVYYRVHI-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM COc1cc(C(=O)N2CCC3(CCN(C)C3=O)CC2)cc(Cl)c1[O-] ZINC000446524323 560147139 /nfs/dbraw/zinc/14/71/39/560147139.db2.gz XLAAVQFMAQPBMY-UHFFFAOYSA-N -1 1 352.818 2.139 20 0 FEADMM Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc21 ZINC000447267908 560159025 /nfs/dbraw/zinc/15/90/25/560159025.db2.gz RDWMLGMLAJPLAY-UHFFFAOYSA-N -1 1 356.403 2.370 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCc3n[nH]cc32)c1 ZINC000447637137 560165667 /nfs/dbraw/zinc/16/56/67/560165667.db2.gz OIATTWORFZUETG-UHFFFAOYSA-N -1 1 367.365 2.257 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3C[C@H]3C3CC3)c2)n1 ZINC000447679009 560166848 /nfs/dbraw/zinc/16/68/48/560166848.db2.gz BSYUQOLMRWQIIB-GJZGRUSLSA-N -1 1 354.410 2.311 20 0 FEADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1noc(C)n1 ZINC000447773957 560168913 /nfs/dbraw/zinc/16/89/13/560168913.db2.gz XPWNBBRSRXFTOJ-MRXNPFEDSA-N -1 1 374.422 2.158 20 0 FEADMM CCC(=O)C1(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])CC1 ZINC000449157072 560218415 /nfs/dbraw/zinc/21/84/15/560218415.db2.gz FUBDMIVVIVFNCP-UHFFFAOYSA-N -1 1 368.455 2.121 20 0 FEADMM CCC(CC)Oc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000449833748 560241774 /nfs/dbraw/zinc/24/17/74/560241774.db2.gz IMQDEYMGLLULTL-UHFFFAOYSA-N -1 1 352.416 2.028 20 0 FEADMM CCC(CC)Oc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000449833748 560241775 /nfs/dbraw/zinc/24/17/75/560241775.db2.gz IMQDEYMGLLULTL-UHFFFAOYSA-N -1 1 352.416 2.028 20 0 FEADMM CC(C)(NC(=O)c1cc(Cl)c(Br)cc1F)c1nn[n-]n1 ZINC000450006032 560247864 /nfs/dbraw/zinc/24/78/64/560247864.db2.gz QOOWYGILMJJCLS-UHFFFAOYSA-N -1 1 362.590 2.420 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2Cc3cccc(C)c3O2)c1Br ZINC000450019327 560248211 /nfs/dbraw/zinc/24/82/11/560248211.db2.gz RBYCSXIWYUNJRS-NSHDSACASA-N -1 1 350.216 2.985 20 0 FEADMM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700243 560270605 /nfs/dbraw/zinc/27/06/05/560270605.db2.gz DILKQBGEWREFQH-NOZJJQNGSA-N -1 1 366.805 2.211 20 0 FEADMM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700243 560270606 /nfs/dbraw/zinc/27/06/06/560270606.db2.gz DILKQBGEWREFQH-NOZJJQNGSA-N -1 1 366.805 2.211 20 0 FEADMM O=S(=O)([N-][C@@H]1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl ZINC000450957552 560279871 /nfs/dbraw/zinc/27/98/71/560279871.db2.gz LDTVSSKTNGCUQB-MRVPVSSYSA-N -1 1 365.885 2.020 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c1OC ZINC000451069550 560285551 /nfs/dbraw/zinc/28/55/51/560285551.db2.gz LSBKDNNHHOSCRP-SSDOTTSWSA-N -1 1 371.789 2.457 20 0 FEADMM Cc1c(NS(=O)(=O)c2cccc(Cl)c2[O-])cnn1[C@@H]1CCOC1 ZINC000451097860 560286961 /nfs/dbraw/zinc/28/69/61/560286961.db2.gz UGOSHOKDLIWLSG-SNVBAGLBSA-N -1 1 357.819 2.313 20 0 FEADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c1 ZINC000451115234 560288015 /nfs/dbraw/zinc/28/80/15/560288015.db2.gz NCVFJFVFOHSOLZ-UHFFFAOYSA-N -1 1 372.834 2.095 20 0 FEADMM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000451220008 560293964 /nfs/dbraw/zinc/29/39/64/560293964.db2.gz FTSCFFAWCHEUIY-NSHDSACASA-N -1 1 361.872 2.428 20 0 FEADMM CCOC(=O)c1cc(C(=O)[N-]c2nc(C(=O)OC)c(C3CC3)s2)on1 ZINC000451407679 560304965 /nfs/dbraw/zinc/30/49/65/560304965.db2.gz WEUDXBUEDSNPTG-UHFFFAOYSA-N -1 1 365.367 2.224 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451468459 560308850 /nfs/dbraw/zinc/30/88/50/560308850.db2.gz RJBWZXONMGPNPC-GFCCVEGCSA-N -1 1 374.871 2.249 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H](O)C(F)F ZINC000451709757 560323864 /nfs/dbraw/zinc/32/38/64/560323864.db2.gz KRRUWHQJUSWSIY-JQWIXIFHSA-N -1 1 362.423 2.493 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)o1 ZINC000451813597 560330181 /nfs/dbraw/zinc/33/01/81/560330181.db2.gz FDJXRTGIOXDJHR-JSGCOSHPSA-N -1 1 359.444 2.186 20 0 FEADMM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCO1 ZINC000451817846 560330601 /nfs/dbraw/zinc/33/06/01/560330601.db2.gz MVLOYJZETMIZFP-QWRGUYRKSA-N -1 1 369.409 2.168 20 0 FEADMM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000451914701 560336866 /nfs/dbraw/zinc/33/68/66/560336866.db2.gz FQIXKWASIYLCMD-UHFFFAOYSA-N -1 1 365.352 2.407 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)o1 ZINC000452040808 560347242 /nfs/dbraw/zinc/34/72/42/560347242.db2.gz HVWGNPKDSCXYCI-UHFFFAOYSA-N -1 1 359.444 2.066 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)NC ZINC000452089547 560350538 /nfs/dbraw/zinc/35/05/38/560350538.db2.gz RISOXWKSJRIRHS-SECBINFHSA-N -1 1 359.662 2.450 20 0 FEADMM CCOC(=O)c1cc(C(=O)[N-]c2ncc(C3CCOCC3)s2)on1 ZINC000452663611 560370456 /nfs/dbraw/zinc/37/04/56/560370456.db2.gz QSJVGHCLAFHQDV-UHFFFAOYSA-N -1 1 351.384 2.454 20 0 FEADMM Cc1ncsc1CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000452701930 560371559 /nfs/dbraw/zinc/37/15/59/560371559.db2.gz DMLQHROTBXQYIK-UHFFFAOYSA-N -1 1 371.484 2.094 20 0 FEADMM CC[C@@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C(F)F ZINC000454767363 560457367 /nfs/dbraw/zinc/45/73/67/560457367.db2.gz HUJNDYUYNSKGQJ-SECBINFHSA-N -1 1 351.375 2.232 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(CO)C3)c2)cc1 ZINC000456237778 560512958 /nfs/dbraw/zinc/51/29/58/560512958.db2.gz JSAMRFJIWFUBGE-UHFFFAOYSA-N -1 1 374.462 2.250 20 0 FEADMM COC(=O)c1n[nH]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000456373001 560517947 /nfs/dbraw/zinc/51/79/47/560517947.db2.gz OSBDCRGVFVEGSV-UHFFFAOYSA-N -1 1 369.299 2.119 20 0 FEADMM CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456795061 560533129 /nfs/dbraw/zinc/53/31/29/560533129.db2.gz RWIINJLARJUFIF-UHFFFAOYSA-N -1 1 362.398 2.107 20 0 FEADMM Cc1cc(C)c(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000456836165 560534190 /nfs/dbraw/zinc/53/41/90/560534190.db2.gz ANAOWSNNFJDYMG-UHFFFAOYSA-N -1 1 353.426 2.313 20 0 FEADMM O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(F)c(F)c1[O-] ZINC000457287103 560560368 /nfs/dbraw/zinc/56/03/68/560560368.db2.gz GESMFTNFGMXRFF-UHFFFAOYSA-N -1 1 362.380 2.216 20 0 FEADMM O=C(N[C@@H]1CCC[C@H]1O)c1c([O-])cnc2c(Br)cccc21 ZINC000457362713 560564026 /nfs/dbraw/zinc/56/40/26/560564026.db2.gz ULFNXYJHFFXOBM-GHMZBOCLSA-N -1 1 351.200 2.346 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)n1 ZINC000459306225 560678807 /nfs/dbraw/zinc/67/88/07/560678807.db2.gz MFXYWFPVBHIXII-HZSPNIEDSA-N -1 1 361.446 2.059 20 0 FEADMM O=c1cc(CN2CCOCC3(CCOCC3)C2)nc(-c2ccccc2)[nH]1 ZINC000459398021 560684326 /nfs/dbraw/zinc/68/43/26/560684326.db2.gz FCLIXIJHKDWEMR-UHFFFAOYSA-N -1 1 355.438 2.478 20 0 FEADMM Cc1cnc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c([O-])c1 ZINC000460187574 560737401 /nfs/dbraw/zinc/73/74/01/560737401.db2.gz JENZIUBVTKZEIN-INIZCTEOSA-N -1 1 353.422 2.059 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC000460208678 560737988 /nfs/dbraw/zinc/73/79/88/560737988.db2.gz ZRGMRKHNPBJANR-AWEZNQCLSA-N -1 1 373.434 2.258 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)cc21 ZINC000460836825 560753087 /nfs/dbraw/zinc/75/30/87/560753087.db2.gz BJADAHDCTFBDCI-UHFFFAOYSA-N -1 1 368.422 2.170 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cc(C)cc(C)c2)c1 ZINC000461459264 560772113 /nfs/dbraw/zinc/77/21/13/560772113.db2.gz BHLNEHACEAYHTE-UHFFFAOYSA-N -1 1 362.451 2.488 20 0 FEADMM CC(C)(NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1nn[n-]n1 ZINC000461632624 560778112 /nfs/dbraw/zinc/77/81/12/560778112.db2.gz GBEJKPURUOTIKB-GHMZBOCLSA-N -1 1 350.220 2.117 20 0 FEADMM COCCOCc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000461921428 560788070 /nfs/dbraw/zinc/78/80/70/560788070.db2.gz RGZSHOKEOFXMMA-UHFFFAOYSA-N -1 1 353.382 2.282 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1NC(C)=O ZINC000462069840 560794923 /nfs/dbraw/zinc/79/49/23/560794923.db2.gz DPTJQOKZOXLBBM-UHFFFAOYSA-N -1 1 368.367 2.054 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CN1c1ccccc1 ZINC000464186077 560834992 /nfs/dbraw/zinc/83/49/92/560834992.db2.gz JZYTVTUKDLCHPH-ZDUSSCGKSA-N -1 1 354.790 2.173 20 0 FEADMM Cc1cc(C(=O)Nc2cccc3c2OCCC3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000466726190 560893823 /nfs/dbraw/zinc/89/38/23/560893823.db2.gz GCYNSMGMHWZBPB-UHFFFAOYSA-N -1 1 352.350 2.322 20 0 FEADMM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000466754807 560894721 /nfs/dbraw/zinc/89/47/21/560894721.db2.gz VRPPMNOHLLKWIU-GFCCVEGCSA-N -1 1 374.256 2.232 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2SC)o1 ZINC000466885027 560898431 /nfs/dbraw/zinc/89/84/31/560898431.db2.gz ZVDJBFQBIKWHCF-UHFFFAOYSA-N -1 1 359.400 2.406 20 0 FEADMM CCSc1n[n-]c(=NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000467092677 560903422 /nfs/dbraw/zinc/90/34/22/560903422.db2.gz DHMQVYXQHQRFHG-JTQLQIEISA-N -1 1 361.456 2.679 20 0 FEADMM CC(=O)N(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000467759053 560916533 /nfs/dbraw/zinc/91/65/33/560916533.db2.gz NIDVYPSRMJCARJ-UHFFFAOYSA-N -1 1 352.368 2.070 20 0 FEADMM CN(C)c1nc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc(=O)[n-]1 ZINC000468537621 560932382 /nfs/dbraw/zinc/93/23/82/560932382.db2.gz RNVXJGVVHGSGDK-UHFFFAOYSA-N -1 1 360.258 2.205 20 0 FEADMM N=c1nc(N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)s[n-]1 ZINC000468984812 560944118 /nfs/dbraw/zinc/94/41/18/560944118.db2.gz PBURQFZNMXEJDK-UHFFFAOYSA-N -1 1 374.297 2.628 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000468990277 560944256 /nfs/dbraw/zinc/94/42/56/560944256.db2.gz NBOPGGMUWLGSCC-RISCZKNCSA-N -1 1 361.467 2.497 20 0 FEADMM CC(C)(c1nnc([N-]C(=O)c2nccnc2C(N)=O)s1)c1ccccc1 ZINC000469045359 560945696 /nfs/dbraw/zinc/94/56/96/560945696.db2.gz MWDUTLDPCYDBGH-UHFFFAOYSA-N -1 1 368.422 2.005 20 0 FEADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c(C)n1 ZINC000470228151 560977143 /nfs/dbraw/zinc/97/71/43/560977143.db2.gz LKDFUJUCHAGHLV-UHFFFAOYSA-N -1 1 367.427 2.321 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3OC)o1 ZINC000470608487 560985738 /nfs/dbraw/zinc/98/57/38/560985738.db2.gz USCWVRNNCUGXRV-CYBMUJFWSA-N -1 1 365.407 2.431 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)NC(=O)CO3)sc1C ZINC000470763444 560989098 /nfs/dbraw/zinc/98/90/98/560989098.db2.gz BYKJKJMIKVJLME-SECBINFHSA-N -1 1 367.452 2.130 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000470976501 560995749 /nfs/dbraw/zinc/99/57/49/560995749.db2.gz LICSELMOSCFMEU-UHFFFAOYSA-N -1 1 362.231 2.189 20 0 FEADMM CC(C)c1noc2nc(C3CC3)cc(C(=O)NC3(c4nn[n-]n4)CC3)c21 ZINC000470983824 560996007 /nfs/dbraw/zinc/99/60/07/560996007.db2.gz POUVVKUHJSALNF-UHFFFAOYSA-N -1 1 353.386 2.156 20 0 FEADMM CCO[C@@H](CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C(C)C ZINC000471227597 561000948 /nfs/dbraw/zinc/00/09/48/561000948.db2.gz KEZTXFHGXHBFFD-AWEZNQCLSA-N -1 1 358.460 2.456 20 0 FEADMM Cc1nc2ccc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)cc2o1 ZINC000472147238 561019240 /nfs/dbraw/zinc/01/92/40/561019240.db2.gz IUNFUAMBUNGAQG-UHFFFAOYSA-N -1 1 351.366 2.431 20 0 FEADMM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000472712258 561033716 /nfs/dbraw/zinc/03/37/16/561033716.db2.gz ZJUJSULZWRSANU-YAJNLLPGSA-N -1 1 370.215 2.333 20 0 FEADMM C[C@H]1C[C@@H](O)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472995548 561039862 /nfs/dbraw/zinc/03/98/62/561039862.db2.gz CIZTVVLARYLJMZ-XJKSGUPXSA-N -1 1 360.435 2.083 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000473270061 561046066 /nfs/dbraw/zinc/04/60/66/561046066.db2.gz OYWZBXUGJXCLBH-BXKDBHETSA-N -1 1 359.382 2.418 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000473291163 561046708 /nfs/dbraw/zinc/04/67/08/561046708.db2.gz CNTIVWWAYSJQRS-SECBINFHSA-N -1 1 351.359 2.002 20 0 FEADMM CCCCOc1ccc(CCNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1 ZINC000473296434 561046847 /nfs/dbraw/zinc/04/68/47/561046847.db2.gz CAHDHGXRIYRCTO-UHFFFAOYSA-N -1 1 361.398 2.048 20 0 FEADMM COCCCC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000473513322 561051704 /nfs/dbraw/zinc/05/17/04/561051704.db2.gz NEUIUSAUXVKMRN-MRXNPFEDSA-N -1 1 371.437 2.191 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000474415278 561073538 /nfs/dbraw/zinc/07/35/38/561073538.db2.gz MZPDKVPMOJHVKX-UHFFFAOYSA-N -1 1 358.445 2.042 20 0 FEADMM CC(C)(NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nn[n-]n1 ZINC000475002943 561087470 /nfs/dbraw/zinc/08/74/70/561087470.db2.gz UKPBNVXEZCPBQE-UHFFFAOYSA-N -1 1 365.319 2.069 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000475786236 561105282 /nfs/dbraw/zinc/10/52/82/561105282.db2.gz COIBNRLJHNNLLH-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)cc1 ZINC000475800998 561105783 /nfs/dbraw/zinc/10/57/83/561105783.db2.gz ZZOZCPXWXKYTIA-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM CN(C)c1ncn(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)n1 ZINC000476447735 561119557 /nfs/dbraw/zinc/11/95/57/561119557.db2.gz OEZZBRLLOCGVDV-UHFFFAOYSA-N -1 1 361.402 2.273 20 0 FEADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cn2)n1 ZINC000476545448 561122169 /nfs/dbraw/zinc/12/21/69/561122169.db2.gz WMEKHGCOOZFEIO-UHFFFAOYSA-N -1 1 372.406 2.414 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)s1 ZINC000476604236 561124038 /nfs/dbraw/zinc/12/40/38/561124038.db2.gz UHMYTHAAGSHXFZ-ZCFIWIBFSA-N -1 1 361.363 2.020 20 0 FEADMM CCCCN(CC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477178122 561138643 /nfs/dbraw/zinc/13/86/43/561138643.db2.gz OURGDCUEOXGKBP-UHFFFAOYSA-N -1 1 352.453 2.008 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@]2(C)COc3ccccc3O2)sc1C ZINC000528449762 562329944 /nfs/dbraw/zinc/32/99/44/562329944.db2.gz FBQAXDRLUNSAFR-HNNXBMFYSA-N -1 1 354.453 2.268 20 0 FEADMM O=C1Nc2ccccc2C[C@@H]1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000528542238 562335097 /nfs/dbraw/zinc/33/50/97/562335097.db2.gz MLVQYIYQTWVGHO-JSGCOSHPSA-N -1 1 358.410 2.295 20 0 FEADMM C[C@@H](c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)[nH]n1)c1ccccc1 ZINC000528599245 562337746 /nfs/dbraw/zinc/33/77/46/562337746.db2.gz PBMHOBRXYZKTSA-GFCCVEGCSA-N -1 1 351.414 2.274 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)N2CCNC[C@H]2C(C)C)s[n-]1 ZINC000528693221 562342282 /nfs/dbraw/zinc/34/22/82/562342282.db2.gz YNZHIJJRILNCKH-NSHDSACASA-N -1 1 351.501 2.459 20 0 FEADMM C[C@]1(Br)C[C@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000528965396 562354558 /nfs/dbraw/zinc/35/45/58/562354558.db2.gz WUQQRDZBMZGUPI-UFBFGSQYSA-N -1 1 365.224 2.309 20 0 FEADMM CN(C)C[C@H](NC(=O)N1CC(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000529228890 562365609 /nfs/dbraw/zinc/36/56/09/562365609.db2.gz QLYCMSIWUFWVDB-ZDUSSCGKSA-N -1 1 360.241 2.322 20 0 FEADMM Cc1ccc(-c2nn(C)cc2C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)o1 ZINC000529251466 562366362 /nfs/dbraw/zinc/36/63/62/562366362.db2.gz SQIVYOPMVYMUIQ-LLVKDONJSA-N -1 1 357.370 2.097 20 0 FEADMM COc1ccccc1COC1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC000530163813 562400822 /nfs/dbraw/zinc/40/08/22/562400822.db2.gz QVTMROKUXHGADE-UHFFFAOYSA-N -1 1 357.410 2.365 20 0 FEADMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(C)n1[C@@H]1CCOC1 ZINC000530261705 562404468 /nfs/dbraw/zinc/40/44/68/562404468.db2.gz DZYQIQVKABYDFW-WBVHZDCISA-N -1 1 366.425 2.099 20 0 FEADMM CS(=O)(=O)C1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000531010471 562431878 /nfs/dbraw/zinc/43/18/78/562431878.db2.gz VYTDWWIFGLPENV-UHFFFAOYSA-N -1 1 357.453 2.067 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CN3CCC2CC3)n1 ZINC000531196305 562437749 /nfs/dbraw/zinc/43/77/49/562437749.db2.gz NVARMWNCSSIFMF-MRXNPFEDSA-N -1 1 358.417 2.192 20 0 FEADMM O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)cc1[O-] ZINC000531570564 562450256 /nfs/dbraw/zinc/45/02/56/562450256.db2.gz HPQPNXLRAUHICC-UHFFFAOYSA-N -1 1 351.811 2.305 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c(C)c1 ZINC000532162654 562469261 /nfs/dbraw/zinc/46/92/61/562469261.db2.gz UOJIFESBJZIALE-UHFFFAOYSA-N -1 1 367.448 2.134 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000532931512 562492822 /nfs/dbraw/zinc/49/28/22/562492822.db2.gz JKGPEJHMBNDPQV-OAHLLOKOSA-N -1 1 360.435 2.237 20 0 FEADMM N=c1nc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)s[n-]1 ZINC000533534124 562512212 /nfs/dbraw/zinc/51/22/12/562512212.db2.gz OYZDKYFCCQOFNS-UHFFFAOYSA-N -1 1 359.377 2.341 20 0 FEADMM [O-]C(=Cc1ccc(-n2cccn2)cc1)Nc1nc(-c2cccnc2)ns1 ZINC000533732801 562517095 /nfs/dbraw/zinc/51/70/95/562517095.db2.gz UTGSIAZPURPIJT-UHFFFAOYSA-N -1 1 362.418 2.389 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(NC(C)=O)c2)co1 ZINC000534386970 562533182 /nfs/dbraw/zinc/53/31/82/562533182.db2.gz ALPLKXHBDXVGEL-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000534554654 562536685 /nfs/dbraw/zinc/53/66/85/562536685.db2.gz SPHGQIKPVQFYJT-UHFFFAOYSA-N -1 1 351.414 2.406 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCOCC1 ZINC000534636732 562538793 /nfs/dbraw/zinc/53/87/93/562538793.db2.gz QFLQFWNDJLCGAK-MRXNPFEDSA-N -1 1 367.423 2.069 20 0 FEADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535139462 562551758 /nfs/dbraw/zinc/55/17/58/562551758.db2.gz XNBXNHPEEGNKSP-UHFFFAOYSA-N -1 1 358.778 2.144 20 0 FEADMM Cc1ccc(CO)cc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000535708464 562564713 /nfs/dbraw/zinc/56/47/13/562564713.db2.gz RXWRQKHJBVRABZ-UHFFFAOYSA-N -1 1 364.405 2.122 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000540738459 562592301 /nfs/dbraw/zinc/59/23/01/562592301.db2.gz DUJMZZXQAGZWAI-ZDUSSCGKSA-N -1 1 369.370 2.398 20 0 FEADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540804031 562593474 /nfs/dbraw/zinc/59/34/74/562593474.db2.gz RKDPOPIQDRGNPT-LLVKDONJSA-N -1 1 364.423 2.469 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000540898230 562596033 /nfs/dbraw/zinc/59/60/33/562596033.db2.gz GNQPXLSDXWGDQU-SECBINFHSA-N -1 1 353.216 2.413 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc(-c4cccs4)o3)CC2)s[n-]1 ZINC000541237067 562606914 /nfs/dbraw/zinc/60/69/14/562606914.db2.gz FQUVGHRIVCRPEL-UHFFFAOYSA-N -1 1 361.452 2.404 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c[nH]1 ZINC000541307254 562608510 /nfs/dbraw/zinc/60/85/10/562608510.db2.gz JNCISVDUYKGVRM-SNVBAGLBSA-N -1 1 366.395 2.180 20 0 FEADMM C[C@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1)C(=O)[O-] ZINC000541807965 562620154 /nfs/dbraw/zinc/62/01/54/562620154.db2.gz ZFTCZWILRMSZSR-SECBINFHSA-N -1 1 369.830 2.381 20 0 FEADMM COC(=O)c1cnc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)cn1 ZINC000541871839 562621662 /nfs/dbraw/zinc/62/16/62/562621662.db2.gz RBFLOXGHAKJVAA-UHFFFAOYSA-N -1 1 373.369 2.097 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000541892942 562622329 /nfs/dbraw/zinc/62/23/29/562622329.db2.gz BXXVVKYJJFKBOU-CJNGLKHVSA-N -1 1 370.453 2.417 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(N(C)C)cc3F)no2)o1 ZINC000545824592 562630753 /nfs/dbraw/zinc/63/07/53/562630753.db2.gz PXFDPAZOYDWDMS-UHFFFAOYSA-N -1 1 366.374 2.110 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cn1C ZINC000546154337 562634442 /nfs/dbraw/zinc/63/44/42/562634442.db2.gz VHZVFMMHBDGTKF-UHFFFAOYSA-N -1 1 374.422 2.393 20 0 FEADMM CCOCc1ccccc1-c1noc(-c2ccc(S(=O)(=O)[N-]C)o2)n1 ZINC000546342599 562636217 /nfs/dbraw/zinc/63/62/17/562636217.db2.gz AHQQZPACZHKRRY-UHFFFAOYSA-N -1 1 363.395 2.441 20 0 FEADMM COc1cccc2[nH]cc(CC(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)c21 ZINC000549732667 562638755 /nfs/dbraw/zinc/63/87/55/562638755.db2.gz POFLOLVFSACYRZ-NSHDSACASA-N -1 1 356.382 2.214 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)c2cnc3c(C)cc(F)cc3c2O)s[n-]1 ZINC000549775023 562639556 /nfs/dbraw/zinc/63/95/56/562639556.db2.gz TVOZKOIGDCUXQB-QMMMGPOBSA-N -1 1 362.386 2.209 20 0 FEADMM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000806745117 674388862 /nfs/dbraw/zinc/38/88/62/674388862.db2.gz MRBCDSBCABYCTH-MRXNPFEDSA-N -1 1 353.296 2.141 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)CN1c1ccccc1 ZINC000556302123 674395652 /nfs/dbraw/zinc/39/56/52/674395652.db2.gz HQJQYHOJFHLWMI-GXTWGEPZSA-N -1 1 358.410 2.147 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCc2ccc(Cl)cc2)n[n-]1 ZINC000603166676 568070347 /nfs/dbraw/zinc/07/03/47/568070347.db2.gz QSBLFWAQTJEEMB-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCc2ccc(Cl)cc2)[n-]1 ZINC000603166676 568070348 /nfs/dbraw/zinc/07/03/48/568070348.db2.gz QSBLFWAQTJEEMB-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCc2ccc(Cl)cc2)n1 ZINC000603166676 568070349 /nfs/dbraw/zinc/07/03/49/568070349.db2.gz QSBLFWAQTJEEMB-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)C[C@]2(C)CC2(F)F)CCc2ccccc21 ZINC000603285747 568082883 /nfs/dbraw/zinc/08/28/83/568082883.db2.gz IGBRMVSGHWBCFU-JKSUJKDBSA-N -1 1 373.421 2.356 20 0 FEADMM CCc1nnsc1C(=O)[N-]c1n[nH]c(-c2ccc(OC)c(OC)c2)n1 ZINC000603628035 568127572 /nfs/dbraw/zinc/12/75/72/568127572.db2.gz DCOPGRFBONWEDI-UHFFFAOYSA-N -1 1 360.399 2.155 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC000603631772 568128057 /nfs/dbraw/zinc/12/80/57/568128057.db2.gz WAVSXYXTCASWLH-UHFFFAOYSA-N -1 1 373.434 2.261 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1C(=O)N(C)C ZINC000604304454 568247098 /nfs/dbraw/zinc/24/70/98/568247098.db2.gz RWBYHZUCYGYWAU-UHFFFAOYSA-N -1 1 374.422 2.074 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC3(CCC3)OC[C@H]2C)c(=O)[n-]1 ZINC000617950341 568324009 /nfs/dbraw/zinc/32/40/09/568324009.db2.gz CJPOYQBAMDQQNI-LLVKDONJSA-N -1 1 351.472 2.315 20 0 FEADMM COC(=O)c1[nH]c(C)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000609483689 568341735 /nfs/dbraw/zinc/34/17/35/568341735.db2.gz CYLVCLHZXBJXNC-UHFFFAOYSA-N -1 1 364.427 2.207 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)C(=O)NCC3)c(=O)[n-]1 ZINC000604969125 568430292 /nfs/dbraw/zinc/43/02/92/568430292.db2.gz RCXXYXCRGBLBJP-UHFFFAOYSA-N -1 1 372.450 2.070 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000605118602 568573427 /nfs/dbraw/zinc/57/34/27/568573427.db2.gz VWQVSKHIIJKJNH-UHFFFAOYSA-N -1 1 364.408 2.341 20 0 FEADMM c1ccc([C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)cc1 ZINC000738428962 598935583 /nfs/dbraw/zinc/93/55/83/598935583.db2.gz QKWKHWGEHLDOOO-INIZCTEOSA-N -1 1 359.393 2.388 20 0 FEADMM c1ccc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)cc1 ZINC000738428962 598935585 /nfs/dbraw/zinc/93/55/85/598935585.db2.gz QKWKHWGEHLDOOO-INIZCTEOSA-N -1 1 359.393 2.388 20 0 FEADMM c1cnn(-c2ncccc2CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000738446086 598937645 /nfs/dbraw/zinc/93/76/45/598937645.db2.gz RTFNLVGMKBOKRH-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1cnn(-c2ncccc2CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000738446086 598937647 /nfs/dbraw/zinc/93/76/47/598937647.db2.gz RTFNLVGMKBOKRH-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000737226040 598947982 /nfs/dbraw/zinc/94/79/82/598947982.db2.gz ZESHITYCLCLZKO-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM O=C1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CN1c1ccccc1 ZINC000738301043 598962478 /nfs/dbraw/zinc/96/24/78/598962478.db2.gz IMMLALRYKKPABL-GFCCVEGCSA-N -1 1 372.392 2.027 20 0 FEADMM O=C1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CN1c1ccccc1 ZINC000738301043 598962479 /nfs/dbraw/zinc/96/24/79/598962479.db2.gz IMMLALRYKKPABL-GFCCVEGCSA-N -1 1 372.392 2.027 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1F ZINC000821845779 607255604 /nfs/dbraw/zinc/25/56/04/607255604.db2.gz JCWHABQLLDSHQX-UHFFFAOYSA-N -1 1 363.374 2.124 20 0 FEADMM CC(C)Oc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735915234 598990824 /nfs/dbraw/zinc/99/08/24/598990824.db2.gz MQRQNVQNJDVSEC-UHFFFAOYSA-N -1 1 352.398 2.021 20 0 FEADMM CC(C)Oc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735915234 598990825 /nfs/dbraw/zinc/99/08/25/598990825.db2.gz MQRQNVQNJDVSEC-UHFFFAOYSA-N -1 1 352.398 2.021 20 0 FEADMM O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738124779 598993268 /nfs/dbraw/zinc/99/32/68/598993268.db2.gz RMFYBLMPEUDTKF-UHFFFAOYSA-N -1 1 373.376 2.379 20 0 FEADMM O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738124779 598993270 /nfs/dbraw/zinc/99/32/70/598993270.db2.gz RMFYBLMPEUDTKF-UHFFFAOYSA-N -1 1 373.376 2.379 20 0 FEADMM CC[C@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2C1 ZINC000736412574 598994105 /nfs/dbraw/zinc/99/41/05/598994105.db2.gz VXSSDSUYDGKKHL-VIFPVBQESA-N -1 1 355.427 2.485 20 0 FEADMM CC[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2C1 ZINC000736412574 598994106 /nfs/dbraw/zinc/99/41/06/598994106.db2.gz VXSSDSUYDGKKHL-VIFPVBQESA-N -1 1 355.427 2.485 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2cc(OC(F)F)ccc21 ZINC000738260062 598998654 /nfs/dbraw/zinc/99/86/54/598998654.db2.gz YESUUZYVUBZBDT-UHFFFAOYSA-N -1 1 372.335 2.456 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2cc(OC(F)F)ccc21 ZINC000738260062 598998656 /nfs/dbraw/zinc/99/86/56/598998656.db2.gz YESUUZYVUBZBDT-UHFFFAOYSA-N -1 1 372.335 2.456 20 0 FEADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737588753 598998878 /nfs/dbraw/zinc/99/88/78/598998878.db2.gz AGVSHIYNDIEBOT-MRXNPFEDSA-N -1 1 374.408 2.126 20 0 FEADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737588753 598998880 /nfs/dbraw/zinc/99/88/80/598998880.db2.gz AGVSHIYNDIEBOT-MRXNPFEDSA-N -1 1 374.408 2.126 20 0 FEADMM O=C(NCC1(Sc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037313 599006334 /nfs/dbraw/zinc/00/63/34/599006334.db2.gz DRCOUEODWYIYJR-UHFFFAOYSA-N -1 1 352.423 2.316 20 0 FEADMM O=C(NCC1(Sc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037313 599006336 /nfs/dbraw/zinc/00/63/36/599006336.db2.gz DRCOUEODWYIYJR-UHFFFAOYSA-N -1 1 352.423 2.316 20 0 FEADMM COC(=O)[C@H](C)CSCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736891123 599014600 /nfs/dbraw/zinc/01/46/00/599014600.db2.gz HSXLAJIZPBCZIN-LLVKDONJSA-N -1 1 372.454 2.403 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735624868 599027944 /nfs/dbraw/zinc/02/79/44/599027944.db2.gz BRHUKAFVBQUKQU-VIFPVBQESA-N -1 1 365.415 2.094 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000738259216 599030127 /nfs/dbraw/zinc/03/01/27/599030127.db2.gz OCFWSQNQBDUBDM-HNNXBMFYSA-N -1 1 370.800 2.129 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000738259216 599030128 /nfs/dbraw/zinc/03/01/28/599030128.db2.gz OCFWSQNQBDUBDM-HNNXBMFYSA-N -1 1 370.800 2.129 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@H]2CCCO[C@H]21 ZINC000820583748 599041252 /nfs/dbraw/zinc/04/12/52/599041252.db2.gz FDIMPPKEGUMYMA-CSMYWGQOSA-N -1 1 350.426 2.452 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@H]2CCCO[C@H]21 ZINC000820583748 599041249 /nfs/dbraw/zinc/04/12/49/599041249.db2.gz FDIMPPKEGUMYMA-CSMYWGQOSA-N -1 1 350.426 2.452 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000822491931 599046749 /nfs/dbraw/zinc/04/67/49/599046749.db2.gz KDDBFGSEXXPSBV-JTQLQIEISA-N -1 1 363.429 2.203 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000822491931 599046751 /nfs/dbraw/zinc/04/67/51/599046751.db2.gz KDDBFGSEXXPSBV-JTQLQIEISA-N -1 1 363.429 2.203 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000819940288 599050149 /nfs/dbraw/zinc/05/01/49/599050149.db2.gz VWUDVNWZQVEBRC-NWDGAFQWSA-N -1 1 359.434 2.367 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000819940288 599050153 /nfs/dbraw/zinc/05/01/53/599050153.db2.gz VWUDVNWZQVEBRC-NWDGAFQWSA-N -1 1 359.434 2.367 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820981299 599344447 /nfs/dbraw/zinc/34/44/47/599344447.db2.gz QSAPWCOSRCFHJF-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820981299 599344450 /nfs/dbraw/zinc/34/44/50/599344450.db2.gz QSAPWCOSRCFHJF-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000818374356 597061981 /nfs/dbraw/zinc/06/19/81/597061981.db2.gz LTYWSVBQHPOOHL-CJNGLKHVSA-N -1 1 351.422 2.325 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000676232476 597080597 /nfs/dbraw/zinc/08/05/97/597080597.db2.gz CSIKBVJCFSYWNP-OAHLLOKOSA-N -1 1 360.458 2.197 20 0 FEADMM C[C@H]1CCN(C(=O)CC2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707509 674424981 /nfs/dbraw/zinc/42/49/81/674424981.db2.gz TUYDJANQCQZQOF-MJVIPROJSA-N -1 1 350.381 2.107 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820842960 607328335 /nfs/dbraw/zinc/32/83/35/607328335.db2.gz RLBJFGLDCLEDTF-UHFFFAOYSA-N -1 1 357.395 2.260 20 0 FEADMM COc1cccc([C@H]2[C@@H](NC(=O)NCCCC(=O)[O-])CCN2C2CC2)c1 ZINC000571997866 598209004 /nfs/dbraw/zinc/20/90/04/598209004.db2.gz IMGFZAXZHZJAOW-WMZOPIPTSA-N -1 1 361.442 2.137 20 0 FEADMM CCCCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736454444 598270071 /nfs/dbraw/zinc/27/00/71/598270071.db2.gz ZJYQHEYGEHRJNG-UHFFFAOYSA-N -1 1 364.475 2.385 20 0 FEADMM CCCCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736454444 598270072 /nfs/dbraw/zinc/27/00/72/598270072.db2.gz ZJYQHEYGEHRJNG-UHFFFAOYSA-N -1 1 364.475 2.385 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCc1ccsc1 ZINC000737201739 598306916 /nfs/dbraw/zinc/30/69/16/598306916.db2.gz VGMVULJSOIZLFN-UHFFFAOYSA-N -1 1 373.438 2.364 20 0 FEADMM FC(F)(F)COc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000737627384 598346989 /nfs/dbraw/zinc/34/69/89/598346989.db2.gz QPIYJDLQSNYZTP-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000737627384 598346991 /nfs/dbraw/zinc/34/69/91/598346991.db2.gz QPIYJDLQSNYZTP-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM CC[C@@H](C)c1ccc(NC(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC000820881541 607349250 /nfs/dbraw/zinc/34/92/50/607349250.db2.gz AEJVOVVVSJEGEA-GFCCVEGCSA-N -1 1 366.425 2.489 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCOc1ccc(C(F)(F)F)cc1 ZINC000738372452 598428104 /nfs/dbraw/zinc/42/81/04/598428104.db2.gz QLISYHOZIROWPC-UHFFFAOYSA-N -1 1 351.288 2.126 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736055942 598429268 /nfs/dbraw/zinc/42/92/68/598429268.db2.gz JUFQKTXKFXIFDO-SSDOTTSWSA-N -1 1 366.212 2.471 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737185691 598430000 /nfs/dbraw/zinc/43/00/00/598430000.db2.gz BINLDOXNMCEQKS-SECBINFHSA-N -1 1 356.411 2.180 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C(F)(F)F)CC2)o1 ZINC000557118585 674437786 /nfs/dbraw/zinc/43/77/86/674437786.db2.gz PYHUEMYMZJJVHY-UHFFFAOYSA-N -1 1 368.377 2.429 20 0 FEADMM CCN(Cc1ccccc1)C(=O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736559449 598577611 /nfs/dbraw/zinc/57/76/11/598577611.db2.gz WDVUXFFYFZXDNI-UHFFFAOYSA-N -1 1 371.832 2.376 20 0 FEADMM CCN(Cc1ccccc1)C(=O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736559449 598577612 /nfs/dbraw/zinc/57/76/12/598577612.db2.gz WDVUXFFYFZXDNI-UHFFFAOYSA-N -1 1 371.832 2.376 20 0 FEADMM O=C(OCc1noc(Cc2ccccc2)n1)c1sccc1-c1nn[n-]n1 ZINC000738249982 598598866 /nfs/dbraw/zinc/59/88/66/598598866.db2.gz APZYNNSHMUVBQD-UHFFFAOYSA-N -1 1 368.378 2.259 20 0 FEADMM Cc1ccc(C(=O)NCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737313166 598675747 /nfs/dbraw/zinc/67/57/47/598675747.db2.gz QVRIPHCWNFKNHY-UHFFFAOYSA-N -1 1 357.805 2.065 20 0 FEADMM Cc1ccc(C(=O)NCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737313166 598675749 /nfs/dbraw/zinc/67/57/49/598675749.db2.gz QVRIPHCWNFKNHY-UHFFFAOYSA-N -1 1 357.805 2.065 20 0 FEADMM O=C(Nc1ccccc1)c1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000738190373 598676519 /nfs/dbraw/zinc/67/65/19/598676519.db2.gz DURLCFMHAPDEBI-UHFFFAOYSA-N -1 1 372.388 2.329 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000738371212 598677472 /nfs/dbraw/zinc/67/74/72/598677472.db2.gz HLWBNVJEKUTFFO-UHFFFAOYSA-N -1 1 354.757 2.385 20 0 FEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736369394 598693045 /nfs/dbraw/zinc/69/30/45/598693045.db2.gz LRJRWHKDLXAXNG-OAHLLOKOSA-N -1 1 361.402 2.435 20 0 FEADMM O=C(OCc1noc(-c2ccccc2)n1)c1sccc1-c1nn[n-]n1 ZINC000738251905 598805913 /nfs/dbraw/zinc/80/59/13/598805913.db2.gz TYOHIMJYVYSEFR-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM CCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821230854 599341761 /nfs/dbraw/zinc/34/17/61/599341761.db2.gz SRIDGBWJFFDZPI-UHFFFAOYSA-N -1 1 367.818 2.324 20 0 FEADMM COc1ccc(C(=O)C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737065446 599401814 /nfs/dbraw/zinc/40/18/14/599401814.db2.gz MDGOPSKMPYZZSA-UHFFFAOYSA-N -1 1 364.409 2.370 20 0 FEADMM COc1ccc(C(=O)C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737065446 599401819 /nfs/dbraw/zinc/40/18/19/599401819.db2.gz MDGOPSKMPYZZSA-UHFFFAOYSA-N -1 1 364.409 2.370 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735625357 599417871 /nfs/dbraw/zinc/41/78/71/599417871.db2.gz DMZJYASVUXRSPW-GFCCVEGCSA-N -1 1 359.434 2.463 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735625357 599417875 /nfs/dbraw/zinc/41/78/75/599417875.db2.gz DMZJYASVUXRSPW-GFCCVEGCSA-N -1 1 359.434 2.463 20 0 FEADMM CCO[C@@H](C)c1noc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)n1 ZINC000736617822 599463064 /nfs/dbraw/zinc/46/30/64/599463064.db2.gz SABUKMBUHKGZAP-QMMMGPOBSA-N -1 1 362.419 2.046 20 0 FEADMM CC(C)C(=O)NC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820012020 599475437 /nfs/dbraw/zinc/47/54/37/599475437.db2.gz RNVKDYKBQGMDKR-UHFFFAOYSA-N -1 1 365.441 2.156 20 0 FEADMM CC(C)C(=O)NC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820012020 599475439 /nfs/dbraw/zinc/47/54/39/599475439.db2.gz RNVKDYKBQGMDKR-UHFFFAOYSA-N -1 1 365.441 2.156 20 0 FEADMM COC(=O)N1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821664957 599516105 /nfs/dbraw/zinc/51/61/05/599516105.db2.gz PTSSQRMUGKFNDV-NSHDSACASA-N -1 1 353.386 2.058 20 0 FEADMM COC(=O)N1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821664957 599516108 /nfs/dbraw/zinc/51/61/08/599516108.db2.gz PTSSQRMUGKFNDV-NSHDSACASA-N -1 1 353.386 2.058 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCSC[C@H]1C ZINC000737549199 599558062 /nfs/dbraw/zinc/55/80/62/599558062.db2.gz TVUHNFGNZFJDQK-SNVBAGLBSA-N -1 1 358.427 2.136 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCSC[C@H]1C ZINC000737549199 599558063 /nfs/dbraw/zinc/55/80/63/599558063.db2.gz TVUHNFGNZFJDQK-SNVBAGLBSA-N -1 1 358.427 2.136 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000737188720 599573430 /nfs/dbraw/zinc/57/34/30/599573430.db2.gz DSQYITGALQDLSB-ZWNOBZJWSA-N -1 1 356.455 2.486 20 0 FEADMM CCCC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736411928 599605444 /nfs/dbraw/zinc/60/54/44/599605444.db2.gz QKLVCCQAJKYYJA-UHFFFAOYSA-N -1 1 361.427 2.387 20 0 FEADMM CCCC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736411928 599605445 /nfs/dbraw/zinc/60/54/45/599605445.db2.gz QKLVCCQAJKYYJA-UHFFFAOYSA-N -1 1 361.427 2.387 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C2C(C)(C)C2(C)C)c(-c2nn[n-]n2)c1C ZINC000822548066 599695524 /nfs/dbraw/zinc/69/55/24/599695524.db2.gz DVXOYUASWLKBSQ-UHFFFAOYSA-N -1 1 361.402 2.240 20 0 FEADMM CN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000737409812 599719206 /nfs/dbraw/zinc/71/92/06/599719206.db2.gz YSWPISAZHYVEIY-XLIONFOSSA-N -1 1 371.433 2.370 20 0 FEADMM CN1CCN(c2ccc(NC(=O)CCNC(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000737530863 599722699 /nfs/dbraw/zinc/72/26/99/599722699.db2.gz YGFGTWRWIKJHIH-UHFFFAOYSA-N -1 1 374.363 2.053 20 0 FEADMM CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000326682303 599766572 /nfs/dbraw/zinc/76/65/72/599766572.db2.gz NROGKSOONYDOHM-CQSZACIVSA-N -1 1 366.439 2.339 20 0 FEADMM NC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000739182397 599789781 /nfs/dbraw/zinc/78/97/81/599789781.db2.gz LZJZIWZJQACNPS-CQSZACIVSA-N -1 1 363.211 2.464 20 0 FEADMM Cc1oc(C(=O)[O-])cc1COC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000738964514 599818249 /nfs/dbraw/zinc/81/82/49/599818249.db2.gz VEPCKZYGMPKZGE-UHFFFAOYSA-N -1 1 371.349 2.026 20 0 FEADMM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000738963115 599884473 /nfs/dbraw/zinc/88/44/73/599884473.db2.gz HPRJXNRYCKNTGZ-VIFPVBQESA-N -1 1 371.349 2.024 20 0 FEADMM Cc1oc(COC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000738983425 599885047 /nfs/dbraw/zinc/88/50/47/599885047.db2.gz RPIHYYBYMMTQAA-VIFPVBQESA-N -1 1 371.349 2.024 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000738500184 599896386 /nfs/dbraw/zinc/89/63/86/599896386.db2.gz YODZZGPYBPUNNZ-UHFFFAOYSA-N -1 1 369.356 2.308 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000738500184 599896387 /nfs/dbraw/zinc/89/63/87/599896387.db2.gz YODZZGPYBPUNNZ-UHFFFAOYSA-N -1 1 369.356 2.308 20 0 FEADMM COCCN1CCC[C@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000737808687 599954399 /nfs/dbraw/zinc/95/43/99/599954399.db2.gz DNDREJMSHCVKGK-KBPBESRZSA-N -1 1 366.483 2.092 20 0 FEADMM O=C([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc2cncn2c1 ZINC000809008925 674478399 /nfs/dbraw/zinc/47/83/99/674478399.db2.gz LSFJBFPEHHTVIB-UHFFFAOYSA-N -1 1 371.752 2.385 20 0 FEADMM COC1(CCOC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000809048421 674480798 /nfs/dbraw/zinc/48/07/98/674480798.db2.gz OMEIUVIDYMJUNT-UHFFFAOYSA-N -1 1 359.444 2.472 20 0 FEADMM CN1CCN(c2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cn2)CC1 ZINC000737528998 600061190 /nfs/dbraw/zinc/06/11/90/600061190.db2.gz GWWDLTPMCMQRSE-UHFFFAOYSA-N -1 1 368.437 2.103 20 0 FEADMM CC(C)c1ccc(NC(=O)CN(C)c2ncnc3[nH]cnc32)c(C(=O)[O-])c1 ZINC000736515794 600074864 /nfs/dbraw/zinc/07/48/64/600074864.db2.gz QYUAAQLXIHNROC-UHFFFAOYSA-N -1 1 368.397 2.249 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1[nH]nc2c1CCCC2 ZINC000738524040 600087812 /nfs/dbraw/zinc/08/78/12/600087812.db2.gz AEAVMNCDDYOUTB-LLVKDONJSA-N -1 1 371.393 2.479 20 0 FEADMM COC(=O)c1ccc2c(c1)nc(CN(CCC(=O)[O-])CC(C)C)[nH]c2=O ZINC000737703669 600090285 /nfs/dbraw/zinc/09/02/85/600090285.db2.gz ZFWFOHUMFLLVPC-UHFFFAOYSA-N -1 1 361.398 2.055 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC000739180946 600096474 /nfs/dbraw/zinc/09/64/74/600096474.db2.gz ODRDNRCMESXMCZ-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM CCCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC000737010822 600103474 /nfs/dbraw/zinc/10/34/74/600103474.db2.gz DTRACJYQUISGBZ-UHFFFAOYSA-N -1 1 354.428 2.354 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000809067240 674481934 /nfs/dbraw/zinc/48/19/34/674481934.db2.gz MSXDELDSZPGDQF-UHFFFAOYSA-N -1 1 356.407 2.040 20 0 FEADMM COCCN1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C[C@@H]1C ZINC000579956111 600213646 /nfs/dbraw/zinc/21/36/46/600213646.db2.gz BIBRRQUOPGICPB-JTQLQIEISA-N -1 1 364.471 2.163 20 0 FEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736411193 600262610 /nfs/dbraw/zinc/26/26/10/600262610.db2.gz GCLMMTDXQKFIKC-NVXWUHKLSA-N -1 1 350.434 2.306 20 0 FEADMM COc1ccc(C(=O)N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000737922279 600399357 /nfs/dbraw/zinc/39/93/57/600399357.db2.gz IUWASVIWICIQDB-SFHVURJKSA-N -1 1 354.406 2.279 20 0 FEADMM CC1CCN([C@@H](CNS(=O)(=O)CCCC(=O)[O-])c2cccs2)CC1 ZINC000736798250 600400990 /nfs/dbraw/zinc/40/09/90/600400990.db2.gz UFNCUQJCZUVYAS-AWEZNQCLSA-N -1 1 374.528 2.305 20 0 FEADMM COc1cc(OC)c(NC(=O)CN(CCC(=O)[O-])C(C)C)cc1Cl ZINC000737899380 600445234 /nfs/dbraw/zinc/44/52/34/600445234.db2.gz KRJVBUPKJRWOMZ-UHFFFAOYSA-N -1 1 358.822 2.481 20 0 FEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000174048971 600482333 /nfs/dbraw/zinc/48/23/33/600482333.db2.gz UATZDPDABSMLRO-UHFFFAOYSA-N -1 1 367.280 2.084 20 0 FEADMM Cc1ccc([C@H](C)NC(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)cc1C ZINC000738553936 600514927 /nfs/dbraw/zinc/51/49/27/600514927.db2.gz XBRLDPICIIGYLO-FUHWJXTLSA-N -1 1 362.470 2.436 20 0 FEADMM C[C@@H](O)CN1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000736676003 600538148 /nfs/dbraw/zinc/53/81/48/600538148.db2.gz HLFJJKSMPDGQGU-LLVKDONJSA-N -1 1 352.431 2.237 20 0 FEADMM Cn1cc([C@@H](NCC(=O)Nc2ccsc2C(=O)[O-])C(C)(C)C)cn1 ZINC000739025297 600555795 /nfs/dbraw/zinc/55/57/95/600555795.db2.gz CQXSHBVPLDOCBO-CQSZACIVSA-N -1 1 350.444 2.495 20 0 FEADMM CN1CCN(c2ccc(NC(=O)c3ccccc3NC(=O)[O-])cn2)CC1 ZINC000737528614 600568292 /nfs/dbraw/zinc/56/82/92/600568292.db2.gz AAZLVKLSGPYENW-UHFFFAOYSA-N -1 1 355.398 2.176 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000736749382 600608849 /nfs/dbraw/zinc/60/88/49/600608849.db2.gz JSMNYTWMKJWWMF-FZKQIMNGSA-N -1 1 353.463 2.266 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000736469040 600608935 /nfs/dbraw/zinc/60/89/35/600608935.db2.gz VAYJZZZJDZULCM-OAHLLOKOSA-N -1 1 373.862 2.311 20 0 FEADMM CC(C)N(CCC(=O)[O-])Cn1c(=O)oc2cc(Br)ccc21 ZINC000736468305 600609723 /nfs/dbraw/zinc/60/97/23/600609723.db2.gz NGCSLUURRHFDPE-UHFFFAOYSA-N -1 1 357.204 2.500 20 0 FEADMM Cc1n[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c1C ZINC000738249258 600616211 /nfs/dbraw/zinc/61/62/11/600616211.db2.gz RJHQHJBBSDMCDC-LBPRGKRZSA-N -1 1 352.188 2.345 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1C(=O)[O-] ZINC000832903705 600709896 /nfs/dbraw/zinc/70/98/96/600709896.db2.gz SDHUTBAIOMMSBN-UONOGXRCSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])CCN(Cn1c(=O)oc2ccc(Cl)cc21)C1CCOCC1 ZINC000833236719 600721051 /nfs/dbraw/zinc/72/10/51/600721051.db2.gz YFVHIZJZHWEUNN-UHFFFAOYSA-N -1 1 354.790 2.161 20 0 FEADMM CCOC(=O)c1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cn1C ZINC000829878181 600831169 /nfs/dbraw/zinc/83/11/69/600831169.db2.gz MHBKHYJSOBKPDS-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccncc2)c(Br)c1 ZINC000020017744 600977907 /nfs/dbraw/zinc/97/79/07/600977907.db2.gz UGHKTCYZWIQWCO-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM CCN(c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1)C(C)C ZINC000326801720 600980386 /nfs/dbraw/zinc/98/03/86/600980386.db2.gz ZZQLDKSQMODNQD-UHFFFAOYSA-N -1 1 366.443 2.003 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C12CCCC2 ZINC000829918554 601016160 /nfs/dbraw/zinc/01/61/60/601016160.db2.gz RYVRDMDIADQONT-JYYAWHABSA-N -1 1 354.491 2.272 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 ZINC000827362964 601089744 /nfs/dbraw/zinc/08/97/44/601089744.db2.gz XHQFWIPDZRAXPA-CYBMUJFWSA-N -1 1 354.834 2.116 20 0 FEADMM Cc1ccc(Cl)c(OCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000630225544 601090866 /nfs/dbraw/zinc/09/08/66/601090866.db2.gz UZWLQZORMPHREL-CYBMUJFWSA-N -1 1 354.834 2.035 20 0 FEADMM CCCNC(=O)C1(NCC(=O)Nc2ccsc2C(=O)[O-])CCCCC1 ZINC000829508568 601133032 /nfs/dbraw/zinc/13/30/32/601133032.db2.gz VHUPAWVZDLHOAD-UHFFFAOYSA-N -1 1 367.471 2.204 20 0 FEADMM CN(C)[C@H](CNC(=O)Nc1ccn(CC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000830581591 601134069 /nfs/dbraw/zinc/13/40/69/601134069.db2.gz PMTOKMAWGJILTE-CYBMUJFWSA-N -1 1 365.821 2.046 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 ZINC000827369445 601134702 /nfs/dbraw/zinc/13/47/02/601134702.db2.gz YKQNHPGIRNUSIM-CQSZACIVSA-N -1 1 361.442 2.488 20 0 FEADMM COC(=O)[C@H](C)[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000831059683 601205672 /nfs/dbraw/zinc/20/56/72/601205672.db2.gz JJZQYMICJPFBIU-ACJLOTCBSA-N -1 1 370.405 2.463 20 0 FEADMM C[C@H](CS(=O)(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000828284734 601272670 /nfs/dbraw/zinc/27/26/70/601272670.db2.gz HLBGEDOZOZBNKQ-ZIAGYGMSSA-N -1 1 374.528 2.161 20 0 FEADMM Cc1ccc([C@H](CNC(=O)CSc2n[nH]c(=S)s2)C(=O)[O-])cc1 ZINC000832923310 601284066 /nfs/dbraw/zinc/28/40/66/601284066.db2.gz XRPLXAMLOFTPIM-JTQLQIEISA-N -1 1 369.493 2.212 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 ZINC000827374423 601293999 /nfs/dbraw/zinc/29/39/99/601293999.db2.gz HYWJBFUZGSIQIH-CQSZACIVSA-N -1 1 369.425 2.156 20 0 FEADMM CN(C(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000830514626 601310345 /nfs/dbraw/zinc/31/03/45/601310345.db2.gz UJWFTIMVKVBMEN-UHFFFAOYSA-N -1 1 362.430 2.129 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000827385163 601337573 /nfs/dbraw/zinc/33/75/73/601337573.db2.gz HUGXJGJSGQYPSJ-LLVKDONJSA-N -1 1 373.425 2.466 20 0 FEADMM O=C([O-])c1ccc2c(cnn2CN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000833326028 601343003 /nfs/dbraw/zinc/34/30/03/601343003.db2.gz GQSABOXETOOBBI-KRWDZBQOSA-N -1 1 359.426 2.352 20 0 FEADMM CS(=O)(=O)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832681631 601380318 /nfs/dbraw/zinc/38/03/18/601380318.db2.gz FNZADZCEYNHGLZ-MRXNPFEDSA-N -1 1 351.399 2.286 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1F ZINC000832419650 601383809 /nfs/dbraw/zinc/38/38/09/601383809.db2.gz VSSOXPJKVACJBN-UHFFFAOYSA-N -1 1 360.750 2.382 20 0 FEADMM O=C([O-])COc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000833253318 601442005 /nfs/dbraw/zinc/44/20/05/601442005.db2.gz CAPBCVNZCNIUJQ-UHFFFAOYSA-N -1 1 357.341 2.138 20 0 FEADMM C[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1C(=O)[O-] ZINC000251586745 601533364 /nfs/dbraw/zinc/53/33/64/601533364.db2.gz CPTJXALXBLTIMM-JGVFFNPUSA-N -1 1 356.176 2.245 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000832891501 601548507 /nfs/dbraw/zinc/54/85/07/601548507.db2.gz VJLPYKRLCORWAW-QGZVFWFLSA-N -1 1 360.458 2.122 20 0 FEADMM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000833357298 601548724 /nfs/dbraw/zinc/54/87/24/601548724.db2.gz CQFDUEHGHMNPAM-HOCLYGCPSA-N -1 1 366.845 2.037 20 0 FEADMM O=C([O-])c1ccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1F ZINC000833314104 601630272 /nfs/dbraw/zinc/63/02/72/601630272.db2.gz ODKHZNBALOTZNE-LJQANCHMSA-N -1 1 358.413 2.375 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000833194307 601787687 /nfs/dbraw/zinc/78/76/87/601787687.db2.gz FAGKQMXYXWSNKE-SQNIBIBYSA-N -1 1 374.506 2.385 20 0 FEADMM C[C@@H]1CN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451640 601816382 /nfs/dbraw/zinc/81/63/82/601816382.db2.gz VLXBKOOMFMEYTQ-GWMLXNDSSA-N -1 1 365.474 2.123 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000828029322 601886321 /nfs/dbraw/zinc/88/63/21/601886321.db2.gz YVHVMRYUHUDELO-AWEZNQCLSA-N -1 1 355.188 2.111 20 0 FEADMM CCc1ccc(CN(C)C(=O)CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000830244863 601888616 /nfs/dbraw/zinc/88/86/16/601888616.db2.gz IVJQIWOYDPIFQT-INIZCTEOSA-N -1 1 350.484 2.100 20 0 FEADMM CC(=O)Nc1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738574726 601933595 /nfs/dbraw/zinc/93/35/95/601933595.db2.gz OTFMCGMRMPTGSB-UHFFFAOYSA-N -1 1 374.441 2.190 20 0 FEADMM CCCCOC(=O)c1ccc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000829401129 601938680 /nfs/dbraw/zinc/93/86/80/601938680.db2.gz DDAXUPYYMRJWFR-IBGZPJMESA-N -1 1 362.426 2.379 20 0 FEADMM C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738632250 601954705 /nfs/dbraw/zinc/95/47/05/601954705.db2.gz RKWFCOKOYVLPNN-MNOVXSKESA-N -1 1 357.357 2.205 20 0 FEADMM CCOc1ccc(C[C@@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C(=O)[O-])cc1 ZINC000830070518 602023271 /nfs/dbraw/zinc/02/32/71/602023271.db2.gz DNJOIRXQPGOIML-HOCLYGCPSA-N -1 1 371.437 2.288 20 0 FEADMM c1cn(Cc2ccccn2)c(SCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000826521854 607539662 /nfs/dbraw/zinc/53/96/62/607539662.db2.gz BDCAVDMTDZRJPN-UHFFFAOYSA-N -1 1 350.411 2.194 20 0 FEADMM c1cn(Cc2ccccn2)c(SCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826521854 607539664 /nfs/dbraw/zinc/53/96/64/607539664.db2.gz BDCAVDMTDZRJPN-UHFFFAOYSA-N -1 1 350.411 2.194 20 0 FEADMM O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833116222 602056229 /nfs/dbraw/zinc/05/62/29/602056229.db2.gz ODNADSHFCBAGTP-BDAKNGLRSA-N -1 1 361.514 2.459 20 0 FEADMM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCOC2(C1)CCCCCC2 ZINC000833196262 602057421 /nfs/dbraw/zinc/05/74/21/602057421.db2.gz PWQKQICNWKYQKA-FOWTUZBSSA-N -1 1 368.499 2.303 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739608632 602061311 /nfs/dbraw/zinc/06/13/11/602061311.db2.gz QBYTVRIHOUAWJT-HZPDHXFCSA-N -1 1 366.437 2.212 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NCCCN(C)C(=O)[O-])N2CCCC2)o1 ZINC000740116767 602186275 /nfs/dbraw/zinc/18/62/75/602186275.db2.gz GCJDBUYZZOLXLL-CQSZACIVSA-N -1 1 352.435 2.024 20 0 FEADMM COC(=O)CC(C)(C)NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000831124466 602260694 /nfs/dbraw/zinc/26/06/94/602260694.db2.gz QILYUQJRMWFSIK-UHFFFAOYSA-N -1 1 368.455 2.195 20 0 FEADMM Cc1ccnc(NC[C@H]2CCN(Cc3nc(C(C)(C)NC(=O)[O-])no3)C2)c1 ZINC000740195173 602380653 /nfs/dbraw/zinc/38/06/53/602380653.db2.gz LOWMHRTZUNJKMD-CYBMUJFWSA-N -1 1 374.445 2.210 20 0 FEADMM CN(Cc1ccccc1F)C(=O)CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000739660887 602385466 /nfs/dbraw/zinc/38/54/66/602385466.db2.gz RHEFSXMYGJHEGF-UHFFFAOYSA-N -1 1 351.422 2.106 20 0 FEADMM C[C@H](NC(=O)CN1CCC(CN(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738960977 602386264 /nfs/dbraw/zinc/38/62/64/602386264.db2.gz JVHXBWQRSFSTRE-ZDUSSCGKSA-N -1 1 351.422 2.325 20 0 FEADMM CN(C[C@H]1CCN(C(=O)c2cccc(Br)c2O)C1)C(=O)[O-] ZINC000739655793 602458649 /nfs/dbraw/zinc/45/86/49/602458649.db2.gz FXSBPHHWBVOZLL-SECBINFHSA-N -1 1 357.204 2.227 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739440961 602537158 /nfs/dbraw/zinc/53/71/58/602537158.db2.gz IXAOEZRCRSBRTN-HNNXBMFYSA-N -1 1 351.422 2.106 20 0 FEADMM CC(C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000738785288 602601324 /nfs/dbraw/zinc/60/13/24/602601324.db2.gz RGICVRRZMHSNIR-MRXNPFEDSA-N -1 1 363.462 2.170 20 0 FEADMM CN(C[C@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1)C(=O)[O-] ZINC000739648855 602608527 /nfs/dbraw/zinc/60/85/27/602608527.db2.gz HBXHEDZUGJFLKX-HUUCEWRRSA-N -1 1 364.446 2.058 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)c1ccco1 ZINC000739407785 602625162 /nfs/dbraw/zinc/62/51/62/602625162.db2.gz LPSKFIYRJPNQDK-HUUCEWRRSA-N -1 1 366.462 2.304 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739791895 602653147 /nfs/dbraw/zinc/65/31/47/602653147.db2.gz LEASQMBSBYFREV-UHFFFAOYSA-N -1 1 350.352 2.364 20 0 FEADMM O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487483 607582632 /nfs/dbraw/zinc/58/26/32/607582632.db2.gz PTXVDOITTYSDFT-MRXNPFEDSA-N -1 1 373.413 2.435 20 0 FEADMM O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487483 607582635 /nfs/dbraw/zinc/58/26/35/607582635.db2.gz PTXVDOITTYSDFT-MRXNPFEDSA-N -1 1 373.413 2.435 20 0 FEADMM O=S(=O)(NC1(c2ccccc2)CCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488086 607583932 /nfs/dbraw/zinc/58/39/32/607583932.db2.gz HXVDXQDQJLIHAE-UHFFFAOYSA-N -1 1 373.413 2.364 20 0 FEADMM CC(C)c1ccc(CCNC(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738884975 602799131 /nfs/dbraw/zinc/79/91/31/602799131.db2.gz YNJRTEXTNOTMGO-YJBOKZPZSA-N -1 1 361.486 2.447 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)ccc1F ZINC000739609766 602841274 /nfs/dbraw/zinc/84/12/74/602841274.db2.gz GHYZSYRXEOSITB-HNNXBMFYSA-N -1 1 366.437 2.171 20 0 FEADMM CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825395109 607590283 /nfs/dbraw/zinc/59/02/83/607590283.db2.gz KXHFANXFNMWTLE-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM CN(CCN1CCN(C(=O)[O-])CC1)Cc1ccc(Br)s1 ZINC000739683469 602873899 /nfs/dbraw/zinc/87/38/99/602873899.db2.gz FHBHRQARHRKLHB-UHFFFAOYSA-N -1 1 362.293 2.238 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1ccsc1 ZINC000739609150 602888494 /nfs/dbraw/zinc/88/84/94/602888494.db2.gz SPXFGRLUCNDFTC-ZIAGYGMSSA-N -1 1 354.476 2.183 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826283687 607596179 /nfs/dbraw/zinc/59/61/79/607596179.db2.gz XMSJSKWOMGCOIB-SECBINFHSA-N -1 1 367.431 2.415 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826283687 607596180 /nfs/dbraw/zinc/59/61/80/607596180.db2.gz XMSJSKWOMGCOIB-SECBINFHSA-N -1 1 367.431 2.415 20 0 FEADMM O=S(=O)(NC[C@@H]1CC=CCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489918 607599516 /nfs/dbraw/zinc/59/95/16/607599516.db2.gz DHQKWVVTTOAEGX-SNVBAGLBSA-N -1 1 353.835 2.155 20 0 FEADMM O=S(=O)(NC[C@@H]1CC=CCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489918 607599517 /nfs/dbraw/zinc/59/95/17/607599517.db2.gz DHQKWVVTTOAEGX-SNVBAGLBSA-N -1 1 353.835 2.155 20 0 FEADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000826294017 607610434 /nfs/dbraw/zinc/61/04/34/607610434.db2.gz GXVYLEYVDMGYIH-HNNXBMFYSA-N -1 1 373.413 2.280 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)cc2)CC1 ZINC000739736303 603156122 /nfs/dbraw/zinc/15/61/22/603156122.db2.gz ISBNDWGGNCDKNW-HOCLYGCPSA-N -1 1 360.458 2.203 20 0 FEADMM O=C([O-])N1CCC[C@H](NC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000739389469 603206553 /nfs/dbraw/zinc/20/65/53/603206553.db2.gz UDWOTXOJRHONST-VIFPVBQESA-N -1 1 367.203 2.198 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000824919507 607614896 /nfs/dbraw/zinc/61/48/96/607614896.db2.gz VSWZFOURPHCNDC-BREBYQMCSA-N -1 1 353.423 2.109 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000809986362 674524004 /nfs/dbraw/zinc/52/40/04/674524004.db2.gz FZCWFUURNRMSRX-UHFFFAOYSA-N -1 1 367.337 2.433 20 0 FEADMM CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353574 603337362 /nfs/dbraw/zinc/33/73/62/603337362.db2.gz KDRJOMFIDKSSNU-ZDUSSCGKSA-N -1 1 365.478 2.120 20 0 FEADMM O=C([O-])N1CCC[C@H](CN2CCN(c3ncnc4ccsc43)CC2)C1 ZINC000740513730 603351457 /nfs/dbraw/zinc/35/14/57/603351457.db2.gz XJFIVAQYZXTRAJ-CYBMUJFWSA-N -1 1 361.471 2.203 20 0 FEADMM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809984898 674523628 /nfs/dbraw/zinc/52/36/28/674523628.db2.gz BZVZZAMJMXGLET-MRVPVSSYSA-N -1 1 369.397 2.440 20 0 FEADMM CCC(CC)(CNS(=O)(=O)c1c(F)cc(F)cc1F)NC(=O)[O-] ZINC000826561237 603476373 /nfs/dbraw/zinc/47/63/73/603476373.db2.gz PSPKVEAJUUXJLS-UHFFFAOYSA-N -1 1 354.350 2.209 20 0 FEADMM CC1(C)CN(C(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)CCN1 ZINC000825734434 603552350 /nfs/dbraw/zinc/55/23/50/603552350.db2.gz MUFGPZYILWLVLT-UHFFFAOYSA-N -1 1 358.442 2.123 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNCc1c(Cl)nc(Cl)n1C ZINC000826126853 603564562 /nfs/dbraw/zinc/56/45/62/603564562.db2.gz QEYNERIIFGFXTM-SFYZADRCSA-N -1 1 351.234 2.320 20 0 FEADMM COc1ccccc1N1CC[C@H](NCc2ccc(NC(=O)[O-])nc2)C1=O ZINC000829638698 603611760 /nfs/dbraw/zinc/61/17/60/603611760.db2.gz SAKBQLUJKREXIK-ZDUSSCGKSA-N -1 1 356.382 2.075 20 0 FEADMM CN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827948117 603699330 /nfs/dbraw/zinc/69/93/30/603699330.db2.gz CVZSZNHVKAOCDW-SECBINFHSA-N -1 1 367.203 2.150 20 0 FEADMM Cc1nnc(SCCC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)[nH]1 ZINC000830893365 603801921 /nfs/dbraw/zinc/80/19/21/603801921.db2.gz LLPVLZAORAPJQA-UHFFFAOYSA-N -1 1 361.427 2.270 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000826111043 603803139 /nfs/dbraw/zinc/80/31/39/603803139.db2.gz YCNKOYWKGPGGNB-IAQYHMDHSA-N -1 1 367.421 2.007 20 0 FEADMM O=C([O-])N1CC(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1 ZINC000831641333 603922855 /nfs/dbraw/zinc/92/28/55/603922855.db2.gz SPJCGCDNVZGQGB-GFCCVEGCSA-N -1 1 350.394 2.021 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000828793867 604020158 /nfs/dbraw/zinc/02/01/58/604020158.db2.gz PJUBWSUQMLQXNA-OCCSQVGLSA-N -1 1 360.414 2.149 20 0 FEADMM COc1ccc2c(c1)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])CC2 ZINC000829522055 604037802 /nfs/dbraw/zinc/03/78/02/604037802.db2.gz VVNSONIUNFGSME-PMACEKPBSA-N -1 1 370.449 2.293 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827993160 604046814 /nfs/dbraw/zinc/04/68/14/604046814.db2.gz ALERBRIDUQKKGL-WFASDCNBSA-N -1 1 368.865 2.242 20 0 FEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000832147317 604057799 /nfs/dbraw/zinc/05/77/99/604057799.db2.gz DYEQXHWCNXDQJY-OAHLLOKOSA-N -1 1 356.357 2.197 20 0 FEADMM O=C([O-])N[C@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000832789542 604059253 /nfs/dbraw/zinc/05/92/53/604059253.db2.gz OWZDJKJZJOBXAH-INIZCTEOSA-N -1 1 356.357 2.370 20 0 FEADMM CN(CCNC(=O)[C@H](NC(=O)[O-])c1ccccc1)Cc1ccc(F)cc1 ZINC000828330225 604067792 /nfs/dbraw/zinc/06/77/92/604067792.db2.gz WCZJLPKVWMZINU-QGZVFWFLSA-N -1 1 359.401 2.383 20 0 FEADMM COc1cccc(CNC(=O)[C@H](C)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000829558832 604177555 /nfs/dbraw/zinc/17/75/55/604177555.db2.gz DWCBQHMBAKUXFD-DZKIICNBSA-N -1 1 363.458 2.068 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000825256525 604223546 /nfs/dbraw/zinc/22/35/46/604223546.db2.gz YOYYHAWNQRMJJQ-KCQAQPDRSA-N -1 1 351.422 2.199 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829593000 604259536 /nfs/dbraw/zinc/25/95/36/604259536.db2.gz WLHQSCWQUGOZNE-SOUVJXGZSA-N -1 1 363.458 2.241 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827695292 604313507 /nfs/dbraw/zinc/31/35/07/604313507.db2.gz QOTTXDRLYHBIOU-QMMMGPOBSA-N -1 1 358.379 2.080 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000833286544 604499774 /nfs/dbraw/zinc/49/97/74/604499774.db2.gz SGYPCMPRPQUCIH-DNVCBOLYSA-N -1 1 361.442 2.020 20 0 FEADMM COc1cc(OC)cc([C@@H](OC(=O)[C@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832067500 604600159 /nfs/dbraw/zinc/60/01/59/604600159.db2.gz QQWXIDLOVWNPOM-XJKSGUPXSA-N -1 1 360.366 2.216 20 0 FEADMM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000825383232 604615705 /nfs/dbraw/zinc/61/57/05/604615705.db2.gz NJNVFPUJIXAHPM-PBHICJAKSA-N -1 1 360.458 2.395 20 0 FEADMM O=C([O-])c1csc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000833119262 604706282 /nfs/dbraw/zinc/70/62/82/604706282.db2.gz HIOXFZVWFAMLCE-UHFFFAOYSA-N -1 1 361.404 2.084 20 0 FEADMM CN1CC[C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000833697064 604708057 /nfs/dbraw/zinc/70/80/57/604708057.db2.gz CHDOROIOFPPHEV-QZTJIDSGSA-N -1 1 374.462 2.250 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@H]1Cn1cnc2ccccc21)C(=O)[O-] ZINC000833639658 604719032 /nfs/dbraw/zinc/71/90/32/604719032.db2.gz QAWLNDCYSYWFDF-QMTMVMCOSA-N -1 1 372.469 2.116 20 0 FEADMM C[C@H](Oc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1)C(=O)[O-] ZINC000833541733 604779644 /nfs/dbraw/zinc/77/96/44/604779644.db2.gz SOESGQMSOMDJEL-HNNXBMFYSA-N -1 1 370.453 2.297 20 0 FEADMM Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)sc1C ZINC000826295005 607715435 /nfs/dbraw/zinc/71/54/35/607715435.db2.gz MWMCRAMSACDXIT-UHFFFAOYSA-N -1 1 353.411 2.007 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000833417889 604857828 /nfs/dbraw/zinc/85/78/28/604857828.db2.gz ZLYLLCVSZSZXAV-DOMZBBRYSA-N -1 1 362.401 2.280 20 0 FEADMM CN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000827932277 604899283 /nfs/dbraw/zinc/89/92/83/604899283.db2.gz NVEXVCQLDMGRTB-OAHLLOKOSA-N -1 1 357.410 2.394 20 0 FEADMM C[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824563646 604924417 /nfs/dbraw/zinc/92/44/17/604924417.db2.gz CTRBOGQBAFYJRC-VYDXJSESSA-N -1 1 351.491 2.488 20 0 FEADMM C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C)[C@H](C)C3)c2C(=O)[O-])C1 ZINC000833616949 604933566 /nfs/dbraw/zinc/93/35/66/604933566.db2.gz KUNYAVAIKGHMPC-VXGBXAGGSA-N -1 1 365.499 2.146 20 0 FEADMM C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CCN1C ZINC000833616947 604933860 /nfs/dbraw/zinc/93/38/60/604933860.db2.gz KUNYAVAIKGHMPC-NWDGAFQWSA-N -1 1 365.499 2.146 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000833421454 604954157 /nfs/dbraw/zinc/95/41/57/604954157.db2.gz OIEKGEXRAHQLKD-NSHDSACASA-N -1 1 351.472 2.393 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000833512952 605003309 /nfs/dbraw/zinc/00/33/09/605003309.db2.gz WTCGUBIDSAIUAM-WDDYJBPVSA-N -1 1 364.427 2.065 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n[nH]1 ZINC000833511749 605003346 /nfs/dbraw/zinc/00/33/46/605003346.db2.gz CDECRDLKRBCWLB-MRVPVSSYSA-N -1 1 372.834 2.319 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC000833511671 605003524 /nfs/dbraw/zinc/00/35/24/605003524.db2.gz AXSFSTDOWNAPBB-MRVPVSSYSA-N -1 1 372.834 2.319 20 0 FEADMM CN(C(=O)CN1CCC[C@H](C[C@@H]2CCOC2)C1)c1ccccc1C(=O)[O-] ZINC000833684815 605020336 /nfs/dbraw/zinc/02/03/36/605020336.db2.gz ULQHCUOWGLAQOM-CVEARBPZSA-N -1 1 360.454 2.486 20 0 FEADMM CCOc1ccc([C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833664205 605044613 /nfs/dbraw/zinc/04/46/13/605044613.db2.gz REQPMXBILWYPNZ-HUUCEWRRSA-N -1 1 363.458 2.337 20 0 FEADMM C[C@H](CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccc(F)cc1F ZINC000630219937 605079161 /nfs/dbraw/zinc/07/91/61/605079161.db2.gz KFSYFRVNUNSTTF-OLZOCXBDSA-N -1 1 354.397 2.466 20 0 FEADMM CCn1cc(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c2ccccc21 ZINC000833681769 605110747 /nfs/dbraw/zinc/11/07/47/605110747.db2.gz FFNKIGYHUHCFDM-HNNXBMFYSA-N -1 1 357.454 2.211 20 0 FEADMM C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833615016 605171321 /nfs/dbraw/zinc/17/13/21/605171321.db2.gz ZAOULZHHOXZRIB-NSHDSACASA-N -1 1 360.863 2.048 20 0 FEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833627757 605175378 /nfs/dbraw/zinc/17/53/78/605175378.db2.gz UCGPJIBEJAKGKA-ZWNOBZJWSA-N -1 1 360.863 2.045 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c(C)n1 ZINC000833733316 605183483 /nfs/dbraw/zinc/18/34/83/605183483.db2.gz NQJWMWSIUGVNEK-UHFFFAOYSA-N -1 1 373.390 2.446 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccccc2Br)CCN1CCC(=O)[O-] ZINC000833619765 605256875 /nfs/dbraw/zinc/25/68/75/605256875.db2.gz DRTWGEOSGQFSIE-LLVKDONJSA-N -1 1 355.232 2.070 20 0 FEADMM O=S(=O)(NCC1(C2CC2)CCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490559 607744538 /nfs/dbraw/zinc/74/45/38/607744538.db2.gz ZCAUHLGSMBVOPW-UHFFFAOYSA-N -1 1 367.862 2.379 20 0 FEADMM O=S(=O)(NCC1(C2CC2)CCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490559 607744539 /nfs/dbraw/zinc/74/45/39/607744539.db2.gz ZCAUHLGSMBVOPW-UHFFFAOYSA-N -1 1 367.862 2.379 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000833814879 605485845 /nfs/dbraw/zinc/48/58/45/605485845.db2.gz FQEZQKWYWABFDE-ZNMIVQPWSA-N -1 1 364.446 2.104 20 0 FEADMM C[C@@H](NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1nnc[nH]1 ZINC000230434720 605486807 /nfs/dbraw/zinc/48/68/07/605486807.db2.gz AGUKWCXTKHLXMV-ZCFIWIBFSA-N -1 1 354.164 2.148 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000833815458 605502474 /nfs/dbraw/zinc/50/24/74/605502474.db2.gz HOIWZEBACFJKSB-SCRDCRAPSA-N -1 1 354.476 2.038 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC000833813496 605523811 /nfs/dbraw/zinc/52/38/11/605523811.db2.gz BDCPIDFKGOWXFO-DUVNUKRYSA-N -1 1 366.437 2.116 20 0 FEADMM CCN(C1CCN(Cc2cccc(NC(=O)[O-])c2)CC1)S(C)(=O)=O ZINC000833857131 605605134 /nfs/dbraw/zinc/60/51/34/605605134.db2.gz ZPJLZMCGAIQGJW-UHFFFAOYSA-N -1 1 355.460 2.022 20 0 FEADMM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433581 607768209 /nfs/dbraw/zinc/76/82/09/607768209.db2.gz LCIFCDSAJPZKHI-AWEZNQCLSA-N -1 1 355.423 2.172 20 0 FEADMM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433581 607768210 /nfs/dbraw/zinc/76/82/10/607768210.db2.gz LCIFCDSAJPZKHI-AWEZNQCLSA-N -1 1 355.423 2.172 20 0 FEADMM CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833861050 605694728 /nfs/dbraw/zinc/69/47/28/605694728.db2.gz FNCUBLGRBFIMPW-OAHLLOKOSA-N -1 1 362.474 2.391 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3c4ccccc4CCN3C(=O)[O-])C2)n[nH]1 ZINC000830735028 605794985 /nfs/dbraw/zinc/79/49/85/605794985.db2.gz OZGJYPUNXLNIBD-ZBFHGGJFSA-N -1 1 369.425 2.097 20 0 FEADMM NC(=O)[C@H](NC1CCC(NC(=O)[O-])CC1)c1cccc(Br)c1 ZINC000833981984 605798974 /nfs/dbraw/zinc/79/89/74/605798974.db2.gz WMGDLZNZHPABRM-WXRRBKDZSA-N -1 1 370.247 2.144 20 0 FEADMM O=C([O-])Nc1cccc(CC(=O)NC2CCN(Cc3cccnc3)CC2)c1 ZINC000834266099 605844947 /nfs/dbraw/zinc/84/49/47/605844947.db2.gz CCHJFCLINZQETL-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM O=C([O-])N[C@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000740595828 605914341 /nfs/dbraw/zinc/91/43/41/605914341.db2.gz WAGNACCIMDKTQI-ROUUACIJSA-N -1 1 356.422 2.435 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000834161209 606000619 /nfs/dbraw/zinc/00/06/19/606000619.db2.gz OSHHNOQHHKGILG-IVUCFWDJSA-N -1 1 361.446 2.301 20 0 FEADMM Cc1ncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC000822467490 606067850 /nfs/dbraw/zinc/06/78/50/606067850.db2.gz NQSMPJVSDUAEHM-WAYWQWQTSA-N -1 1 358.431 2.235 20 0 FEADMM Cc1ncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC000822467490 606067855 /nfs/dbraw/zinc/06/78/55/606067855.db2.gz NQSMPJVSDUAEHM-WAYWQWQTSA-N -1 1 358.431 2.235 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833994563 606093978 /nfs/dbraw/zinc/09/39/78/606093978.db2.gz FLMYOSKNCIANKP-KGLIPLIRSA-N -1 1 361.446 2.311 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822005594 606120486 /nfs/dbraw/zinc/12/04/86/606120486.db2.gz SQISZGHDIHIOKF-OKILXGFUSA-N -1 1 370.457 2.165 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)C1CCC1 ZINC000822459599 606157081 /nfs/dbraw/zinc/15/70/81/606157081.db2.gz TYNFVTHNXXFZTM-GFCCVEGCSA-N -1 1 369.429 2.191 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)C1CCC1 ZINC000822459599 606157083 /nfs/dbraw/zinc/15/70/83/606157083.db2.gz TYNFVTHNXXFZTM-GFCCVEGCSA-N -1 1 369.429 2.191 20 0 FEADMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820562550 606165270 /nfs/dbraw/zinc/16/52/70/606165270.db2.gz GQQDLNVNNNNCGS-VIFPVBQESA-N -1 1 360.809 2.479 20 0 FEADMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820562550 606165271 /nfs/dbraw/zinc/16/52/71/606165271.db2.gz GQQDLNVNNNNCGS-VIFPVBQESA-N -1 1 360.809 2.479 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CC2CC2)c2ccccc2)n1 ZINC000822609364 606170695 /nfs/dbraw/zinc/17/06/95/606170695.db2.gz MXQULPSGVBDREO-AWEZNQCLSA-N -1 1 352.402 2.263 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CC2CC2)c2ccccc2)n1 ZINC000822609364 606170696 /nfs/dbraw/zinc/17/06/96/606170696.db2.gz MXQULPSGVBDREO-AWEZNQCLSA-N -1 1 352.402 2.263 20 0 FEADMM O=C([N-]C[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1)C(F)(F)F ZINC000810072536 674529810 /nfs/dbraw/zinc/52/98/10/674529810.db2.gz USRSAPLGNSSDBA-SNVBAGLBSA-N -1 1 358.320 2.220 20 0 FEADMM COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821639448 606188827 /nfs/dbraw/zinc/18/88/27/606188827.db2.gz ZBSUIKJPCQJZRV-IINYFYTJSA-N -1 1 371.422 2.208 20 0 FEADMM COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821639448 606188828 /nfs/dbraw/zinc/18/88/28/606188828.db2.gz ZBSUIKJPCQJZRV-IINYFYTJSA-N -1 1 371.422 2.208 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000559249969 674533489 /nfs/dbraw/zinc/53/34/89/674533489.db2.gz POBVYUWGGFOIED-UHFFFAOYSA-N -1 1 364.789 2.407 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C(=O)N(C)C ZINC000822255306 606278841 /nfs/dbraw/zinc/27/88/41/606278841.db2.gz YVUKBKUHAQSAHF-UHFFFAOYSA-N -1 1 356.411 2.191 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C(=O)N(C)C ZINC000822255306 606278843 /nfs/dbraw/zinc/27/88/43/606278843.db2.gz YVUKBKUHAQSAHF-UHFFFAOYSA-N -1 1 356.411 2.191 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000823294848 606293442 /nfs/dbraw/zinc/29/34/42/606293442.db2.gz UOJBWGARPPTPAO-AWEZNQCLSA-N -1 1 357.757 2.168 20 0 FEADMM COc1ccc(COCCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821824631 606293949 /nfs/dbraw/zinc/29/39/49/606293949.db2.gz OIEPBCPQULYOMK-UHFFFAOYSA-N -1 1 369.381 2.126 20 0 FEADMM COc1ccccc1[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1nccn1C ZINC000821882993 606444577 /nfs/dbraw/zinc/44/45/77/606444577.db2.gz PJNMGDGNPWDQLC-MRXNPFEDSA-N -1 1 362.397 2.205 20 0 FEADMM COc1ccccc1[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1nccn1C ZINC000821882993 606444578 /nfs/dbraw/zinc/44/45/78/606444578.db2.gz PJNMGDGNPWDQLC-MRXNPFEDSA-N -1 1 362.397 2.205 20 0 FEADMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cn2)n1 ZINC000822197945 606508870 /nfs/dbraw/zinc/50/88/70/606508870.db2.gz VTMBIMXKBMIHBD-UHFFFAOYSA-N -1 1 366.410 2.378 20 0 FEADMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)n1 ZINC000822197945 606508872 /nfs/dbraw/zinc/50/88/72/606508872.db2.gz VTMBIMXKBMIHBD-UHFFFAOYSA-N -1 1 366.410 2.378 20 0 FEADMM O=C(NCc1ccnc(N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823265660 606514147 /nfs/dbraw/zinc/51/41/47/606514147.db2.gz DBCBLNFUXWSGPT-UHFFFAOYSA-N -1 1 369.454 2.244 20 0 FEADMM Cc1nc2ccccc2n1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822463657 606520194 /nfs/dbraw/zinc/52/01/94/606520194.db2.gz UOSJPUOTOMXZGB-UHFFFAOYSA-N -1 1 353.411 2.016 20 0 FEADMM COC(=O)CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821661351 606540981 /nfs/dbraw/zinc/54/09/81/606540981.db2.gz FNVVGMRFALTXBS-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM COC(=O)CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821661351 606540982 /nfs/dbraw/zinc/54/09/82/606540982.db2.gz FNVVGMRFALTXBS-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM COC(=O)CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821661785 606552599 /nfs/dbraw/zinc/55/25/99/606552599.db2.gz YMTOOAJAYZCRBI-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM COC(=O)CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821661785 606552601 /nfs/dbraw/zinc/55/26/01/606552601.db2.gz YMTOOAJAYZCRBI-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000822197733 606553798 /nfs/dbraw/zinc/55/37/98/606553798.db2.gz NCFAZGPRXKQCJA-LBPRGKRZSA-N -1 1 357.443 2.219 20 0 FEADMM Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000822197733 606553799 /nfs/dbraw/zinc/55/37/99/606553799.db2.gz NCFAZGPRXKQCJA-LBPRGKRZSA-N -1 1 357.443 2.219 20 0 FEADMM COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn[n-]4)s3)c2c1 ZINC000821845215 606561636 /nfs/dbraw/zinc/56/16/36/606561636.db2.gz CSXXMTJCPXRRTC-UHFFFAOYSA-N -1 1 368.422 2.391 20 0 FEADMM COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4nn[n-]n4)s3)c2c1 ZINC000821845215 606561638 /nfs/dbraw/zinc/56/16/38/606561638.db2.gz CSXXMTJCPXRRTC-UHFFFAOYSA-N -1 1 368.422 2.391 20 0 FEADMM COC(=O)CCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821660507 606611233 /nfs/dbraw/zinc/61/12/33/606611233.db2.gz UNMHBZUEZZRPDI-UHFFFAOYSA-N -1 1 356.839 2.146 20 0 FEADMM COC(=O)CCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821660507 606611234 /nfs/dbraw/zinc/61/12/34/606611234.db2.gz UNMHBZUEZZRPDI-UHFFFAOYSA-N -1 1 356.839 2.146 20 0 FEADMM Cc1ccc(OCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822263357 606650494 /nfs/dbraw/zinc/65/04/94/606650494.db2.gz OAXAALTUNUYZEE-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM Cc1ccc(OCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822263357 606650495 /nfs/dbraw/zinc/65/04/95/606650495.db2.gz OAXAALTUNUYZEE-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM CC(C)c1nn(C)c(Cl)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820206571 606650968 /nfs/dbraw/zinc/65/09/68/606650968.db2.gz QQEFQPDYJHDQQW-UHFFFAOYSA-N -1 1 361.793 2.129 20 0 FEADMM CC(C)c1nn(C)c(Cl)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820206571 606650969 /nfs/dbraw/zinc/65/09/69/606650969.db2.gz QQEFQPDYJHDQQW-UHFFFAOYSA-N -1 1 361.793 2.129 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000559444596 674543379 /nfs/dbraw/zinc/54/33/79/674543379.db2.gz MSBSRZZXYSUNJD-CYBMUJFWSA-N -1 1 374.340 2.450 20 0 FEADMM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821169999 606689050 /nfs/dbraw/zinc/68/90/50/606689050.db2.gz KYEFLYPXKBUTLN-CYBMUJFWSA-N -1 1 357.439 2.432 20 0 FEADMM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821169999 606689051 /nfs/dbraw/zinc/68/90/51/606689051.db2.gz KYEFLYPXKBUTLN-CYBMUJFWSA-N -1 1 357.439 2.432 20 0 FEADMM Cn1cc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822681153 606751924 /nfs/dbraw/zinc/75/19/24/606751924.db2.gz UOIGXUGQQSBHRZ-UHFFFAOYSA-N -1 1 362.393 2.429 20 0 FEADMM Cn1cc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822681153 606751926 /nfs/dbraw/zinc/75/19/26/606751926.db2.gz UOIGXUGQQSBHRZ-UHFFFAOYSA-N -1 1 362.393 2.429 20 0 FEADMM C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820697456 606842091 /nfs/dbraw/zinc/84/20/91/606842091.db2.gz HPTIXXPUAFGBCH-CMPLNLGQSA-N -1 1 353.423 2.205 20 0 FEADMM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821656075 606874203 /nfs/dbraw/zinc/87/42/03/606874203.db2.gz XHVYFGARRRBHSC-GHMZBOCLSA-N -1 1 363.443 2.170 20 0 FEADMM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821656075 606874204 /nfs/dbraw/zinc/87/42/04/606874204.db2.gz XHVYFGARRRBHSC-GHMZBOCLSA-N -1 1 363.443 2.170 20 0 FEADMM CCC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821040929 606895421 /nfs/dbraw/zinc/89/54/21/606895421.db2.gz VNLMFBZQBSBGMI-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000810518194 674548564 /nfs/dbraw/zinc/54/85/64/674548564.db2.gz RUMOLNFAWNSZIS-GKUQOKNUSA-N -1 1 354.447 2.316 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCOC(C)(C)[C@@H]1C ZINC000822534862 606966835 /nfs/dbraw/zinc/96/68/35/606966835.db2.gz ASKSVGVGKZWKMP-LBPRGKRZSA-N -1 1 370.413 2.198 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCOC(C)(C)[C@@H]1C ZINC000822534862 606966837 /nfs/dbraw/zinc/96/68/37/606966837.db2.gz ASKSVGVGKZWKMP-LBPRGKRZSA-N -1 1 370.413 2.198 20 0 FEADMM Cc1nnc(-c2cccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2)o1 ZINC000822505783 607020604 /nfs/dbraw/zinc/02/06/04/607020604.db2.gz WDITZRDRFPMEDV-UHFFFAOYSA-N -1 1 363.337 2.183 20 0 FEADMM O[C@H](C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC000823675226 607034341 /nfs/dbraw/zinc/03/43/41/607034341.db2.gz VPACUXBLHALVQD-LLVKDONJSA-N -1 1 362.743 2.055 20 0 FEADMM O[C@H](C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC000823675226 607034342 /nfs/dbraw/zinc/03/43/42/607034342.db2.gz VPACUXBLHALVQD-LLVKDONJSA-N -1 1 362.743 2.055 20 0 FEADMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426134 607803628 /nfs/dbraw/zinc/80/36/28/607803628.db2.gz GHEHFSLUBHSMLF-GUYCJALGSA-N -1 1 364.409 2.159 20 0 FEADMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426134 607803629 /nfs/dbraw/zinc/80/36/29/607803629.db2.gz GHEHFSLUBHSMLF-GUYCJALGSA-N -1 1 364.409 2.159 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826268190 607867818 /nfs/dbraw/zinc/86/78/18/607867818.db2.gz NVLGLRABOWGXPS-UHFFFAOYSA-N -1 1 370.312 2.360 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826268190 607867819 /nfs/dbraw/zinc/86/78/19/607867819.db2.gz NVLGLRABOWGXPS-UHFFFAOYSA-N -1 1 370.312 2.360 20 0 FEADMM O=S(=O)(Cc1ccccc1F)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826486634 607868034 /nfs/dbraw/zinc/86/80/34/607868034.db2.gz KFCJJIOKAOKMPG-UHFFFAOYSA-N -1 1 352.322 2.054 20 0 FEADMM O=S(=O)(Cc1ccccc1F)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826486634 607868035 /nfs/dbraw/zinc/86/80/35/607868035.db2.gz KFCJJIOKAOKMPG-UHFFFAOYSA-N -1 1 352.322 2.054 20 0 FEADMM O=C(Nc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1)[C@@H]1CCCO1 ZINC000826454896 607896605 /nfs/dbraw/zinc/89/66/05/607896605.db2.gz PVINHKZZEYJFPY-AWEZNQCLSA-N -1 1 351.370 2.123 20 0 FEADMM O=C(Nc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1)[C@@H]1CCCO1 ZINC000826454896 607896606 /nfs/dbraw/zinc/89/66/06/607896606.db2.gz PVINHKZZEYJFPY-AWEZNQCLSA-N -1 1 351.370 2.123 20 0 FEADMM Cc1noc(COc2ccc(Oc3cccc(-c4nnn[n-]4)n3)cc2)n1 ZINC000826340375 607900070 /nfs/dbraw/zinc/90/00/70/607900070.db2.gz VWAQGRJCDOVZOZ-UHFFFAOYSA-N -1 1 351.326 2.324 20 0 FEADMM Cc1noc(COc2ccc(Oc3cccc(-c4nn[n-]n4)n3)cc2)n1 ZINC000826340375 607900071 /nfs/dbraw/zinc/90/00/71/607900071.db2.gz VWAQGRJCDOVZOZ-UHFFFAOYSA-N -1 1 351.326 2.324 20 0 FEADMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949101 607903040 /nfs/dbraw/zinc/90/30/40/607903040.db2.gz WUJZAIRZFQUSJD-OCCSQVGLSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949101 607903041 /nfs/dbraw/zinc/90/30/41/607903041.db2.gz WUJZAIRZFQUSJD-OCCSQVGLSA-N -1 1 373.461 2.391 20 0 FEADMM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc(-c2nn[nH]n2)cs1 ZINC000826460226 607928133 /nfs/dbraw/zinc/92/81/33/607928133.db2.gz SIHOSWORXHHFSJ-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2cn[nH]c2)c1-c1nn[n-]n1 ZINC000826231674 607955696 /nfs/dbraw/zinc/95/56/96/607955696.db2.gz VIIARFARWUDOHV-QMMMGPOBSA-N -1 1 370.442 2.075 20 0 FEADMM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826333209 607997405 /nfs/dbraw/zinc/99/74/05/607997405.db2.gz YQYNTMHRCUVLSY-UHFFFAOYSA-N -1 1 355.402 2.393 20 0 FEADMM Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826234933 607997448 /nfs/dbraw/zinc/99/74/48/607997448.db2.gz VEYSMMGVMTZMEC-UHFFFAOYSA-N -1 1 362.349 2.387 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cccc(O)c1F ZINC000826233011 608087179 /nfs/dbraw/zinc/08/71/79/608087179.db2.gz QNQWCKYZGJZDRW-UHFFFAOYSA-N -1 1 372.360 2.000 20 0 FEADMM C[C@H]1Oc2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cc2NC1=O ZINC000825021802 608172379 /nfs/dbraw/zinc/17/23/79/608172379.db2.gz UOEVQUFXRBXOPN-RXMQYKEDSA-N -1 1 363.790 2.440 20 0 FEADMM C[C@H]1Oc2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cc2NC1=O ZINC000825021802 608172380 /nfs/dbraw/zinc/17/23/80/608172380.db2.gz UOEVQUFXRBXOPN-RXMQYKEDSA-N -1 1 363.790 2.440 20 0 FEADMM CCOC(=O)c1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1C ZINC000825559861 608190244 /nfs/dbraw/zinc/19/02/44/608190244.db2.gz KLLADLDJWDMSQU-UHFFFAOYSA-N -1 1 353.795 2.235 20 0 FEADMM CCOC(=O)c1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1C ZINC000825559861 608190247 /nfs/dbraw/zinc/19/02/47/608190247.db2.gz KLLADLDJWDMSQU-UHFFFAOYSA-N -1 1 353.795 2.235 20 0 FEADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826427577 608270195 /nfs/dbraw/zinc/27/01/95/608270195.db2.gz UOTXQCBNJUKZIR-DOMZBBRYSA-N -1 1 355.423 2.436 20 0 FEADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826427577 608270196 /nfs/dbraw/zinc/27/01/96/608270196.db2.gz UOTXQCBNJUKZIR-DOMZBBRYSA-N -1 1 355.423 2.436 20 0 FEADMM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824391449 608379823 /nfs/dbraw/zinc/37/98/23/608379823.db2.gz JBXCUNBOTVTTJQ-VIFPVBQESA-N -1 1 359.386 2.459 20 0 FEADMM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824391449 608379825 /nfs/dbraw/zinc/37/98/25/608379825.db2.gz JBXCUNBOTVTTJQ-VIFPVBQESA-N -1 1 359.386 2.459 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@]2(C)CCCc3ccccc32)n1 ZINC000826357197 608494539 /nfs/dbraw/zinc/49/45/39/608494539.db2.gz VRCINRUAGFCSHR-GOSISDBHSA-N -1 1 366.429 2.016 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@]2(C)CCCc3ccccc32)n1 ZINC000826357197 608494540 /nfs/dbraw/zinc/49/45/40/608494540.db2.gz VRCINRUAGFCSHR-GOSISDBHSA-N -1 1 366.429 2.016 20 0 FEADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824761967 608512371 /nfs/dbraw/zinc/51/23/71/608512371.db2.gz DLNUEWFBPKQIEM-NSHDSACASA-N -1 1 361.427 2.056 20 0 FEADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824761967 608512373 /nfs/dbraw/zinc/51/23/73/608512373.db2.gz DLNUEWFBPKQIEM-NSHDSACASA-N -1 1 361.427 2.056 20 0 FEADMM O=C(CCC1CCCC1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826405769 608522350 /nfs/dbraw/zinc/52/23/50/608522350.db2.gz SXCWYSZTOVLITG-UHFFFAOYSA-N -1 1 358.446 2.074 20 0 FEADMM O=C(CCC1CCCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826405769 608522352 /nfs/dbraw/zinc/52/23/52/608522352.db2.gz SXCWYSZTOVLITG-UHFFFAOYSA-N -1 1 358.446 2.074 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(O)cc1F ZINC000826232817 609266650 /nfs/dbraw/zinc/26/66/50/609266650.db2.gz JSGCKUZOCVJWCM-UHFFFAOYSA-N -1 1 372.360 2.000 20 0 FEADMM CC(C)COCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824272132 609288083 /nfs/dbraw/zinc/28/80/83/609288083.db2.gz UMIRHOFHQDNDIB-UHFFFAOYSA-N -1 1 373.392 2.193 20 0 FEADMM COCCC[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826154945 609288639 /nfs/dbraw/zinc/28/86/39/609288639.db2.gz AZOVEWIYVURPFT-NSHDSACASA-N -1 1 373.392 2.193 20 0 FEADMM CC(C)SCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824337824 609290137 /nfs/dbraw/zinc/29/01/37/609290137.db2.gz IYLOAXPEYNJPNX-UHFFFAOYSA-N -1 1 361.406 2.272 20 0 FEADMM CCN(C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CCCCC1 ZINC000825377259 609296777 /nfs/dbraw/zinc/29/67/77/609296777.db2.gz ZLBODNQWHPHLQQ-UHFFFAOYSA-N -1 1 362.459 2.484 20 0 FEADMM CC1=C(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCO1 ZINC000824853143 609312155 /nfs/dbraw/zinc/31/21/55/609312155.db2.gz WWYRCPQQQGFZIU-UHFFFAOYSA-N -1 1 369.360 2.214 20 0 FEADMM CC(C)[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824192624 609357487 /nfs/dbraw/zinc/35/74/87/609357487.db2.gz KQMCAWRUXHILKO-JTQLQIEISA-N -1 1 358.381 2.358 20 0 FEADMM CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825252436 609386805 /nfs/dbraw/zinc/38/68/05/609386805.db2.gz HSEOOOIDDNCZRG-ZDUSSCGKSA-N -1 1 373.461 2.488 20 0 FEADMM CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825252436 609386806 /nfs/dbraw/zinc/38/68/06/609386806.db2.gz HSEOOOIDDNCZRG-ZDUSSCGKSA-N -1 1 373.461 2.488 20 0 FEADMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)n1 ZINC000560000934 674563215 /nfs/dbraw/zinc/56/32/15/674563215.db2.gz IDQLSFHFGURPPE-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM Cc1ccccc1OCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810898480 674567077 /nfs/dbraw/zinc/56/70/77/674567077.db2.gz ZNGLXHUVYKZLFM-ZDUSSCGKSA-N -1 1 358.360 2.291 20 0 FEADMM Cc1nc(CCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000810904711 674567563 /nfs/dbraw/zinc/56/75/63/674567563.db2.gz GVFPAANXROZQBP-NSHDSACASA-N -1 1 363.405 2.301 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1sccc1Cl ZINC000560297092 674575703 /nfs/dbraw/zinc/57/57/03/674575703.db2.gz UUTUXKDBTFGJQI-SECBINFHSA-N -1 1 361.851 2.493 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2cn3cccc(F)c3n2)C1)C(F)(F)F ZINC000811514525 674610475 /nfs/dbraw/zinc/61/04/75/674610475.db2.gz MUBRZUJXTGOQHN-NSHDSACASA-N -1 1 358.339 2.364 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000562227309 674730640 /nfs/dbraw/zinc/73/06/40/674730640.db2.gz YCYVJFMUFXWNTC-UHFFFAOYSA-N -1 1 357.391 2.146 20 0 FEADMM O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000562522847 674765108 /nfs/dbraw/zinc/76/51/08/674765108.db2.gz BCADFCJJBSTXDW-MRVPVSSYSA-N -1 1 366.212 2.174 20 0 FEADMM COCc1noc([C@H](C)S(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1 ZINC000562593665 674774050 /nfs/dbraw/zinc/77/40/50/674774050.db2.gz UGTUCJKKOYDAPZ-VIFPVBQESA-N -1 1 366.374 2.280 20 0 FEADMM COCc1noc([C@H](C)S(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1 ZINC000562593665 674774052 /nfs/dbraw/zinc/77/40/52/674774052.db2.gz UGTUCJKKOYDAPZ-VIFPVBQESA-N -1 1 366.374 2.280 20 0 FEADMM Cc1csc(CC[N-]S(=O)(=O)c2ncccc2C(F)(F)F)n1 ZINC000645459753 677260422 /nfs/dbraw/zinc/26/04/22/677260422.db2.gz NTPCZFARRKBMMH-UHFFFAOYSA-N -1 1 351.375 2.386 20 0 FEADMM CCC(Nc1ccc(C)c(C)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814345742 674832726 /nfs/dbraw/zinc/83/27/26/674832726.db2.gz VIBOKJHGXMIAJD-CCEZHUSRSA-N -1 1 361.467 2.269 20 0 FEADMM CCC(NCCc1ccc(Cl)cc1Cl)=C1C(=O)[N-]C(=S)NC1=O ZINC000814375773 674834796 /nfs/dbraw/zinc/83/47/96/674834796.db2.gz KQADVMXGNZPNLP-UHFFFAOYSA-N -1 1 372.277 2.321 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](C)OC3(CCC3)C2)c(=O)[n-]1 ZINC000563187543 674856083 /nfs/dbraw/zinc/85/60/83/674856083.db2.gz UYHVEXSCPGMPHM-LLVKDONJSA-N -1 1 351.472 2.315 20 0 FEADMM C[C@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000814636789 674871778 /nfs/dbraw/zinc/87/17/78/674871778.db2.gz KINKMJWLEBBUKQ-NHCYSSNCSA-N -1 1 361.412 2.380 20 0 FEADMM C[C@H]1CCN(Cc2nnc(C(C)(C)C)[nH]2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000814636789 674871780 /nfs/dbraw/zinc/87/17/80/674871780.db2.gz KINKMJWLEBBUKQ-NHCYSSNCSA-N -1 1 361.412 2.380 20 0 FEADMM CCC(Nc1ccc(C)cc1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009770460 669984359 /nfs/dbraw/zinc/98/43/59/669984359.db2.gz MLPJSLWFBKFBJK-SQFISAMPSA-N -1 1 361.467 2.269 20 0 FEADMM O=C(NC1=NCCS1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000023028047 670045546 /nfs/dbraw/zinc/04/55/46/670045546.db2.gz UNDQIILCSZCNSI-UHFFFAOYSA-N -1 1 361.448 2.320 20 0 FEADMM CCN(CCC[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 ZINC000027961089 670084400 /nfs/dbraw/zinc/08/44/00/670084400.db2.gz QQLWVVTXLNQXKL-UHFFFAOYSA-N -1 1 356.879 2.268 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1F ZINC000032087313 670126562 /nfs/dbraw/zinc/12/65/62/670126562.db2.gz LTCUXCQJCUWBNG-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2COC(C)C)o1 ZINC000033017951 670133843 /nfs/dbraw/zinc/13/38/43/670133843.db2.gz YMRAMTQZAFANJU-UHFFFAOYSA-N -1 1 366.439 2.043 20 0 FEADMM CC(C)Cc1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ncc2Cl)s1 ZINC000816840893 675082168 /nfs/dbraw/zinc/08/21/68/675082168.db2.gz HSHUSXMLQJSMSA-UHFFFAOYSA-N -1 1 374.875 2.441 20 0 FEADMM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)no1 ZINC000044414216 670189939 /nfs/dbraw/zinc/18/99/39/670189939.db2.gz AQUSHEMDRIHMMR-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM CC(C)N1CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000045429291 670204045 /nfs/dbraw/zinc/20/40/45/670204045.db2.gz USJLNKGTJWAZOU-UHFFFAOYSA-N -1 1 360.483 2.002 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(F)cc3cccnc32)o1 ZINC000046315224 670220539 /nfs/dbraw/zinc/22/05/39/670220539.db2.gz YRXPOCJPKRFAPP-UHFFFAOYSA-N -1 1 364.354 2.232 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1ncsc1Br ZINC000816886584 675083962 /nfs/dbraw/zinc/08/39/62/675083962.db2.gz AYZDALFOKDIHMS-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM Cc1ccc(C(=O)[N-]NC(=O)c2cc(Br)cn2C)c(Cl)n1 ZINC000047271072 670238028 /nfs/dbraw/zinc/23/80/28/670238028.db2.gz VBAUIFIOBXHSAV-UHFFFAOYSA-N -1 1 371.622 2.219 20 0 FEADMM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000047671558 670247549 /nfs/dbraw/zinc/24/75/49/670247549.db2.gz JBAJCVHUUSCZDI-UHFFFAOYSA-N -1 1 370.358 2.230 20 0 FEADMM O=c1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2nc2n1CCC2 ZINC000047906458 670254005 /nfs/dbraw/zinc/25/40/05/670254005.db2.gz DEKBDDXAWGPXFZ-UHFFFAOYSA-N -1 1 359.382 2.283 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc(CCCl)cc1 ZINC000048401766 670261532 /nfs/dbraw/zinc/26/15/32/670261532.db2.gz YEELRAPPDLLXSU-UHFFFAOYSA-N -1 1 363.830 2.244 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(OC(F)F)cc2)o1 ZINC000050070355 670281366 /nfs/dbraw/zinc/28/13/66/670281366.db2.gz OIQKRHBTGCLKIO-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM C/C(=C\C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)C1CC1 ZINC000052110195 670308862 /nfs/dbraw/zinc/30/88/62/670308862.db2.gz VDNDZPDMFPRTHZ-CSKARUKUSA-N -1 1 353.321 2.444 20 0 FEADMM Cc1[nH]c2ccccc2c1C(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000053006301 670320186 /nfs/dbraw/zinc/32/01/86/670320186.db2.gz HPMWIUIORNKPQP-UHFFFAOYSA-N -1 1 357.391 2.156 20 0 FEADMM CC(NCCCc1ccccc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054503663 670337888 /nfs/dbraw/zinc/33/78/88/670337888.db2.gz CIJNFBRRJZITDG-PEZBUJJGSA-N -1 1 359.495 2.382 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000060554472 670386424 /nfs/dbraw/zinc/38/64/24/670386424.db2.gz JMTJWPQPWNJPSU-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000060554555 670386936 /nfs/dbraw/zinc/38/69/36/670386936.db2.gz REMJAYLDKDMJKM-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C)OC ZINC000817139075 675102856 /nfs/dbraw/zinc/10/28/56/675102856.db2.gz WCZQTFWUYKHIDC-JKSUJKDBSA-N -1 1 371.499 2.489 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC1CCCCC1 ZINC000062295315 670400109 /nfs/dbraw/zinc/40/01/09/670400109.db2.gz IDSRXVZETSZOFV-UHFFFAOYSA-N -1 1 368.455 2.054 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(I)cc1F ZINC000565232282 675104177 /nfs/dbraw/zinc/10/41/77/675104177.db2.gz BNTGZGAMBUUEKR-ZETCQYMHSA-N -1 1 373.187 2.207 20 0 FEADMM O=C(NCC1CC1)N[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000064940367 670428166 /nfs/dbraw/zinc/42/81/66/670428166.db2.gz WVDULRKSPYZNGM-UHFFFAOYSA-N -1 1 371.768 2.261 20 0 FEADMM Cn1c(CNC(=O)c2cccc(OCc3cscn3)c2)n[n-]c1=S ZINC000066625636 670445309 /nfs/dbraw/zinc/44/53/09/670445309.db2.gz ZYNLVTCDAUIKOJ-UHFFFAOYSA-N -1 1 361.452 2.443 20 0 FEADMM Cc1c(C(=O)NCc2n[n-]c(=S)n2C(C)C)cnn1-c1ccccn1 ZINC000066640235 670446243 /nfs/dbraw/zinc/44/62/43/670446243.db2.gz QYXRCGCYXRJYIR-UHFFFAOYSA-N -1 1 357.443 2.341 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051023 670451981 /nfs/dbraw/zinc/45/19/81/670451981.db2.gz WFKVEDQKWPDEBP-JQWIXIFHSA-N -1 1 371.507 2.076 20 0 FEADMM CC(C)n1c(CCNC(=O)C[C@H](C)NC(=O)C2CCCC2)n[n-]c1=S ZINC000067072703 670452474 /nfs/dbraw/zinc/45/24/74/670452474.db2.gz PSKWOFHXCSLENZ-LBPRGKRZSA-N -1 1 367.519 2.265 20 0 FEADMM CCCC(=O)N1CCCC[C@@H]1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079115 670452763 /nfs/dbraw/zinc/45/27/63/670452763.db2.gz NZNZATKUBDMFFE-CYBMUJFWSA-N -1 1 365.503 2.115 20 0 FEADMM COc1cccc(COCC(=O)NCCc2n[n-]c(=S)n2C(C)C)c1 ZINC000067074743 670452825 /nfs/dbraw/zinc/45/28/25/670452825.db2.gz UUMDUBASIVQIHX-UHFFFAOYSA-N -1 1 364.471 2.406 20 0 FEADMM CCn1c(CCNC(=O)C[C@@H](C)NC(=O)C2CCCCC2)n[n-]c1=S ZINC000067075271 670452923 /nfs/dbraw/zinc/45/29/23/670452923.db2.gz PHWLSQDPZDJNCK-GFCCVEGCSA-N -1 1 367.519 2.094 20 0 FEADMM CCn1c(CCNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)n[n-]c1=S ZINC000067077810 670453001 /nfs/dbraw/zinc/45/30/01/670453001.db2.gz ZVCJBHLTQBEPPU-GFCCVEGCSA-N -1 1 367.519 2.046 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)C1=NO[C@@H](c2ccccc2)C1 ZINC000067080065 670453336 /nfs/dbraw/zinc/45/33/36/670453336.db2.gz ZORSIGHPVYFWFG-CQSZACIVSA-N -1 1 357.439 2.452 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1 ZINC000067244185 670455898 /nfs/dbraw/zinc/45/58/98/670455898.db2.gz RLUCTMKQVMDXCU-UHFFFAOYSA-N -1 1 370.814 2.478 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000073997645 670512437 /nfs/dbraw/zinc/51/24/37/670512437.db2.gz SYUXMQHMVAVWLZ-UHFFFAOYSA-N -1 1 358.427 2.292 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc4ccccc4o3)[C@H]2C1 ZINC000569167025 670519156 /nfs/dbraw/zinc/51/91/56/670519156.db2.gz ZMNSODRBAKYUGD-JYJNAYRXSA-N -1 1 362.451 2.358 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c([O-])c1 ZINC000078028591 670580741 /nfs/dbraw/zinc/58/07/41/670580741.db2.gz RTSIWRAYBNDDMU-UHFFFAOYSA-N -1 1 351.428 2.009 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1c(C)c2ccccc2oc1=O ZINC000078750684 670593450 /nfs/dbraw/zinc/59/34/50/670593450.db2.gz CTOVUQRXDKVYDI-UHFFFAOYSA-N -1 1 358.423 2.348 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)s1 ZINC000080041258 670614282 /nfs/dbraw/zinc/61/42/82/670614282.db2.gz PELQJHVSHWRJFX-CYBMUJFWSA-N -1 1 353.394 2.018 20 0 FEADMM CSc1nc(-c2ccco2)nc(C)c1C(=O)[N-]NC(=O)c1ccoc1 ZINC000081617882 670647470 /nfs/dbraw/zinc/64/74/70/670647470.db2.gz QDFOENIFSGGCDK-UHFFFAOYSA-N -1 1 358.379 2.435 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1nc(C(C)(C)C)ns1 ZINC000084321544 670666987 /nfs/dbraw/zinc/66/69/87/670666987.db2.gz UELREULSJHPZSN-UHFFFAOYSA-N -1 1 355.493 2.474 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000570427483 670712758 /nfs/dbraw/zinc/71/27/58/670712758.db2.gz MHQZSVROGDWISC-CQSZACIVSA-N -1 1 361.427 2.257 20 0 FEADMM CSc1nc(C)c(CCC(=O)O[C@@H]2CCC[C@H]2n2cccn2)c(=O)[n-]1 ZINC000103835979 670788226 /nfs/dbraw/zinc/78/82/26/670788226.db2.gz KVOJHEUDZMNOFW-ZIAGYGMSSA-N -1 1 362.455 2.266 20 0 FEADMM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000105769875 670807008 /nfs/dbraw/zinc/80/70/08/670807008.db2.gz VISPNSNRGAWKLA-UHFFFAOYSA-N -1 1 352.460 2.440 20 0 FEADMM CC(C)O[C@]1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CCOC1 ZINC000571155195 670824722 /nfs/dbraw/zinc/82/47/22/670824722.db2.gz XPOCFSYGCYOCFJ-MRXNPFEDSA-N -1 1 366.805 2.353 20 0 FEADMM CC(C)O[C@]1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CCOC1 ZINC000571155195 670824727 /nfs/dbraw/zinc/82/47/27/670824727.db2.gz XPOCFSYGCYOCFJ-MRXNPFEDSA-N -1 1 366.805 2.353 20 0 FEADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1nnc2ccccc2c1O ZINC000111576471 670858852 /nfs/dbraw/zinc/85/88/52/670858852.db2.gz DSIMFSVRVCEYIZ-UHFFFAOYSA-N -1 1 350.363 2.089 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)s[n-]1 ZINC000571391643 670866891 /nfs/dbraw/zinc/86/68/91/670866891.db2.gz IRHAOCXJHUENKX-VIFPVBQESA-N -1 1 352.464 2.352 20 0 FEADMM O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1cc(Br)ccc1[O-] ZINC000571538962 670889897 /nfs/dbraw/zinc/88/98/97/670889897.db2.gz PAFPGUHOAXJPKR-VXGBXAGGSA-N -1 1 353.216 2.038 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c(F)cc1C ZINC000571662415 670907923 /nfs/dbraw/zinc/90/79/23/670907923.db2.gz MWLGWMLTQCKNTC-UHFFFAOYSA-N -1 1 369.418 2.462 20 0 FEADMM O=C([O-])c1cn([C@H]2CCCN(CCOc3ccc(F)cc3Cl)C2)nn1 ZINC000571811627 670928070 /nfs/dbraw/zinc/92/80/70/670928070.db2.gz ZFDWIHWPHFPRMT-LBPRGKRZSA-N -1 1 368.796 2.485 20 0 FEADMM N#Cc1ccc(CNC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000572289497 670983241 /nfs/dbraw/zinc/98/32/41/670983241.db2.gz BPJMICULAGYUGC-UHFFFAOYSA-N -1 1 350.350 2.400 20 0 FEADMM CCc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1C(=O)[O-] ZINC000573101288 671082761 /nfs/dbraw/zinc/08/27/61/671082761.db2.gz RMWRISMUOLITOD-UHFFFAOYSA-N -1 1 361.379 2.330 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCO[C@@H]1CCCc2ccccc21 ZINC000573250164 671099803 /nfs/dbraw/zinc/09/98/03/671099803.db2.gz BJBRMWNOENFJNY-OAHLLOKOSA-N -1 1 365.455 2.328 20 0 FEADMM CO[C@H]1C[C@@H](CC(=O)[O-])N(Cc2cc3c(cc2Br)OCO3)C1 ZINC000574645041 671264385 /nfs/dbraw/zinc/26/43/85/671264385.db2.gz QZGRXBOQEKOMKB-QWRGUYRKSA-N -1 1 372.215 2.242 20 0 FEADMM Cc1cnc(SCCOCCSc2ncc(C)c(=O)[nH]2)[n-]c1=O ZINC000576242154 671354937 /nfs/dbraw/zinc/35/49/37/671354937.db2.gz 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ZINC000825762723 675667870 /nfs/dbraw/zinc/66/78/70/675667870.db2.gz QZTTYYLZDKDOBM-UHFFFAOYSA-N -1 1 372.313 2.329 20 0 FEADMM CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc3n[n-]c(=S)n3c1)CC2 ZINC000825988065 675676936 /nfs/dbraw/zinc/67/69/36/675676936.db2.gz RTKMKWVHKMCYDL-CYBMUJFWSA-N -1 1 356.455 2.083 20 0 FEADMM Cc1onc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826348513 675686692 /nfs/dbraw/zinc/68/66/92/675686692.db2.gz QCLZEJBUDNDCCV-UHFFFAOYSA-N -1 1 352.276 2.363 20 0 FEADMM Cc1onc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826348513 675686694 /nfs/dbraw/zinc/68/66/94/675686694.db2.gz QCLZEJBUDNDCCV-UHFFFAOYSA-N -1 1 352.276 2.363 20 0 FEADMM COc1nccc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)n1 ZINC000827806044 675780267 /nfs/dbraw/zinc/78/02/67/675780267.db2.gz LUESHXNCIZLUFJ-UHFFFAOYSA-N -1 1 355.248 2.243 20 0 FEADMM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1=O ZINC000827815122 675780723 /nfs/dbraw/zinc/78/07/23/675780723.db2.gz NQXQKTLCKIGLKG-SECBINFHSA-N -1 1 366.270 2.066 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Br)ccc1F ZINC000605381846 675812312 /nfs/dbraw/zinc/81/23/12/675812312.db2.gz ATSKERPOIKXCEE-UHFFFAOYSA-N -1 1 354.183 2.301 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000605493132 675816306 /nfs/dbraw/zinc/81/63/06/675816306.db2.gz FPSUBJGHBDRELQ-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM Cc1c(Cl)cccc1OCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000605879984 675825319 /nfs/dbraw/zinc/82/53/19/675825319.db2.gz MHZAFUJMTFRKPG-INIZCTEOSA-N -1 1 357.801 2.446 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCC[C@@H]2CCOC2)o1 ZINC000828715390 675838837 /nfs/dbraw/zinc/83/88/37/675838837.db2.gz JHUUYZXYIMPJFG-GFCCVEGCSA-N -1 1 359.444 2.330 20 0 FEADMM COC(=O)CC1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CCCCC1 ZINC000828723186 675839455 /nfs/dbraw/zinc/83/94/55/675839455.db2.gz WPCZBHKWFYKKPZ-UHFFFAOYSA-N -1 1 362.455 2.261 20 0 FEADMM C[C@@H]1CN=C(N2CCN(C(=O)c3ncc4ccccc4c3[O-])CC2)S1 ZINC000828743760 675841384 /nfs/dbraw/zinc/84/13/84/675841384.db2.gz IWULANPEDORCFN-GFCCVEGCSA-N -1 1 356.451 2.190 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C(C)(C)c2ccc(Cl)cc2)n[n-]1 ZINC000615919532 676233576 /nfs/dbraw/zinc/23/35/76/676233576.db2.gz FSIXUNWGARUZJM-UHFFFAOYSA-N -1 1 350.806 2.229 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C(C)(C)c2ccc(Cl)cc2)n1 ZINC000615919532 676233577 /nfs/dbraw/zinc/23/35/77/676233577.db2.gz FSIXUNWGARUZJM-UHFFFAOYSA-N -1 1 350.806 2.229 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n[n-]1 ZINC000615920010 676233781 /nfs/dbraw/zinc/23/37/81/676233781.db2.gz ORTCQONVJHRSGD-SNVBAGLBSA-N -1 1 366.805 2.027 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n1 ZINC000615920010 676233782 /nfs/dbraw/zinc/23/37/82/676233782.db2.gz ORTCQONVJHRSGD-SNVBAGLBSA-N -1 1 366.805 2.027 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC12COC2 ZINC000615938963 676234232 /nfs/dbraw/zinc/23/42/32/676234232.db2.gz XUOYTCFXQYLRLP-UHFFFAOYSA-N -1 1 358.419 2.102 20 0 FEADMM COC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCOCC1 ZINC000617368433 676282314 /nfs/dbraw/zinc/28/23/14/676282314.db2.gz UWURXLWOAXMOHU-ZDUSSCGKSA-N -1 1 358.232 2.326 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2[C@@H](C)CO)c(=O)[n-]1 ZINC000617850216 676308766 /nfs/dbraw/zinc/30/87/66/676308766.db2.gz BXBUZJXEELHXJZ-FZMZJTMJSA-N -1 1 353.488 2.155 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cccc(Br)c1 ZINC000618487710 676342334 /nfs/dbraw/zinc/34/23/34/676342334.db2.gz XKTXSTIHPOVOJI-CYBMUJFWSA-N -1 1 358.199 2.482 20 0 FEADMM O=C(COc1ccc(F)cc1Cl)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000618487652 676342354 /nfs/dbraw/zinc/34/23/54/676342354.db2.gz URLBFPBZLQSNHC-HNNXBMFYSA-N -1 1 361.764 2.277 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(C)nc2)CCc2ccccc21 ZINC000618593747 676345560 /nfs/dbraw/zinc/34/55/60/676345560.db2.gz FPFACLHZLCBIPL-GOSISDBHSA-N -1 1 360.435 2.073 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618759379 676352143 /nfs/dbraw/zinc/35/21/43/676352143.db2.gz KFTOWEXNZIXKEN-XXFAHNHDSA-N -1 1 363.211 2.300 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2C(C)(C)C2(F)F)o1 ZINC000619398650 676375002 /nfs/dbraw/zinc/37/50/02/676375002.db2.gz YUCCYMRHKGHJQP-JTQLQIEISA-N -1 1 364.414 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)o1 ZINC000620276985 676412340 /nfs/dbraw/zinc/41/23/40/676412340.db2.gz GWFBNNKCSHGNOG-GFCCVEGCSA-N -1 1 372.349 2.226 20 0 FEADMM Cc1cc(OCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)ccc1Cl ZINC000622611722 676502951 /nfs/dbraw/zinc/50/29/51/676502951.db2.gz IYURXAJCRFDUIJ-MRXNPFEDSA-N -1 1 357.801 2.446 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)OC ZINC000625369812 676643060 /nfs/dbraw/zinc/64/30/60/676643060.db2.gz ABRDHYQUVVWXEJ-OUCADQQQSA-N -1 1 367.389 2.265 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)c(F)c1 ZINC000677807100 679698885 /nfs/dbraw/zinc/69/88/85/679698885.db2.gz FGEUDGIMNHASID-QMMMGPOBSA-N -1 1 360.386 2.254 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(N(C)c2ccccc2)n1)c1nn[n-]n1 ZINC000626443450 676706319 /nfs/dbraw/zinc/70/63/19/676706319.db2.gz FODIUTRJYSXQLX-LLVKDONJSA-N -1 1 357.443 2.300 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1C2CCC1CC2 ZINC000628833219 676820588 /nfs/dbraw/zinc/82/05/88/676820588.db2.gz SXNYHXIVPKZNBK-UHFFFAOYSA-N -1 1 363.266 2.425 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)CCOCC1 ZINC000629288930 676840921 /nfs/dbraw/zinc/84/09/21/676840921.db2.gz VERNOFMPLCKRBF-UHFFFAOYSA-N -1 1 353.444 2.199 20 0 FEADMM CCc1ncc([N-]S(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)cn1 ZINC000629292717 676841773 /nfs/dbraw/zinc/84/17/73/676841773.db2.gz VLRBPFWTEPALKL-HNNXBMFYSA-N -1 1 353.419 2.178 20 0 FEADMM O=C([O-])C1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629486032 676856875 /nfs/dbraw/zinc/85/68/75/676856875.db2.gz RTKFNMQHLGCFAO-AWEZNQCLSA-N -1 1 367.243 2.499 20 0 FEADMM O=C(N[C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000629931214 676876009 /nfs/dbraw/zinc/87/60/09/676876009.db2.gz 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ZINC000631660907 676950666 /nfs/dbraw/zinc/95/06/66/676950666.db2.gz AOSPEGXRQBSVGI-NSHDSACASA-N -1 1 357.336 2.125 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000632010495 676970476 /nfs/dbraw/zinc/97/04/76/676970476.db2.gz YCTTYZRNUCZEFH-NSHDSACASA-N -1 1 364.751 2.258 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C12CCC2 ZINC000632030006 676971758 /nfs/dbraw/zinc/97/17/58/676971758.db2.gz PXVFKMARVAUBEM-NXEZZACHSA-N -1 1 353.366 2.055 20 0 FEADMM Cc1nnc([C@H](C)NC(=O)c2ccc(I)cc2[O-])o1 ZINC000866570318 684120557 /nfs/dbraw/zinc/12/05/57/684120557.db2.gz FSHRPNVYGFZIEO-LURJTMIESA-N -1 1 373.150 2.179 20 0 FEADMM Cc1c(Br)csc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000632053826 676973196 /nfs/dbraw/zinc/97/31/96/676973196.db2.gz DGBRBEXKIRRIEX-MRVPVSSYSA-N -1 1 356.249 2.352 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NCc2csc([C@H](C)OC)n2)c1 ZINC000632083429 676974857 /nfs/dbraw/zinc/97/48/57/676974857.db2.gz QGYVUHUTUDNSMM-VIFPVBQESA-N -1 1 358.441 2.043 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1ccc(C(F)F)o1 ZINC000632109895 676976126 /nfs/dbraw/zinc/97/61/26/676976126.db2.gz ODVBMCWQCFWVED-UHFFFAOYSA-N -1 1 359.276 2.455 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)C2CCN(CC(F)(F)F)CC2)sn1 ZINC000632279588 676985295 /nfs/dbraw/zinc/98/52/95/676985295.db2.gz AZOMFVQVFCNDBW-JTQLQIEISA-N -1 1 371.450 2.393 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)[C@@H]1n1cccn1 ZINC000632376117 676991040 /nfs/dbraw/zinc/99/10/40/676991040.db2.gz FMVVQYVJJSYNFC-XWIASGKRSA-N -1 1 361.370 2.111 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC3(CCC(O)CC3)CC2)c1 ZINC000632379936 676991094 /nfs/dbraw/zinc/99/10/94/676991094.db2.gz ZZKMHTJMMUEGQA-UHFFFAOYSA-N -1 1 355.456 2.107 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)F)no1)C1CCCCC1 ZINC000632480210 676996895 /nfs/dbraw/zinc/99/68/95/676996895.db2.gz OVZIDMUZDQRRRG-JTQLQIEISA-N -1 1 353.391 2.022 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)C1(CO)CC=CC1 ZINC000632501276 676997981 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679427591 /nfs/dbraw/zinc/42/75/91/679427591.db2.gz ZIBQMRKMJMWXTF-LLVKDONJSA-N -1 1 357.395 2.314 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)c(F)c1 ZINC000673588782 679438984 /nfs/dbraw/zinc/43/89/84/679438984.db2.gz MMSNCRIGPMKKRT-LLVKDONJSA-N -1 1 373.352 2.395 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)(C)O ZINC000673687914 679443335 /nfs/dbraw/zinc/44/33/35/679443335.db2.gz YIFRCGNGWLRCRK-CYBMUJFWSA-N -1 1 362.451 2.377 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)c1 ZINC000675224588 679535142 /nfs/dbraw/zinc/53/51/42/679535142.db2.gz OXDLGYBDAPUYLG-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]CC(F)(F)F ZINC000675290397 679539950 /nfs/dbraw/zinc/53/99/50/679539950.db2.gz OVBMMIABNFXFII-UHFFFAOYSA-N -1 1 360.741 2.148 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000677147213 679656521 /nfs/dbraw/zinc/65/65/21/679656521.db2.gz BPFXJGLDANVTMX-VQISRLSMSA-N -1 1 359.394 2.209 20 0 FEADMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1 ZINC000747616518 679892798 /nfs/dbraw/zinc/89/27/98/679892798.db2.gz CQXMKYMXDZPAOX-YFHOEESVSA-N -1 1 361.419 2.474 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-][C@H]1CCCCC12OCCO2 ZINC000830918296 679895236 /nfs/dbraw/zinc/89/52/36/679895236.db2.gz ANTAABZLNXJLFO-STQMWFEESA-N -1 1 353.431 2.417 20 0 FEADMM Cc1ccc2nc(C(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)ccc2c1 ZINC000831124743 679927836 /nfs/dbraw/zinc/92/78/36/679927836.db2.gz DCRLPGKRCKFOKV-UHFFFAOYSA-N -1 1 351.328 2.294 20 0 FEADMM COc1cccc(C(C)(C)C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831162577 679937810 /nfs/dbraw/zinc/93/78/10/679937810.db2.gz QYWSQTXVPSLLIY-UHFFFAOYSA-N -1 1 358.360 2.110 20 0 FEADMM O=C([N-][C@@H]1CN(C(=O)c2ncccc2Cl)C[C@H]1C(F)(F)F)C(F)F ZINC001008784774 679957059 /nfs/dbraw/zinc/95/70/59/679957059.db2.gz RSWJZQJNYFCUTR-HTRCEHHLSA-N -1 1 371.693 2.119 20 0 FEADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCOCC(=O)[O-] ZINC000874042458 685277848 /nfs/dbraw/zinc/27/78/48/685277848.db2.gz HRSMGOYSXFGOEB-UHFFFAOYSA-N -1 1 355.797 2.223 20 0 FEADMM O=[S@@](c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1)C(F)(F)F ZINC000748672110 679986508 /nfs/dbraw/zinc/98/65/08/679986508.db2.gz COMXUTPLQCEUMQ-CWKPULSASA-N -1 1 357.375 2.235 20 0 FEADMM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1c[nH]nc1Cl ZINC000831628503 680014465 /nfs/dbraw/zinc/01/44/65/680014465.db2.gz SIMUGWSPZAIEGO-ZDUSSCGKSA-N -1 1 355.847 2.245 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@]1(C)CC1(Cl)Cl ZINC000832149293 680102446 /nfs/dbraw/zinc/10/24/46/680102446.db2.gz WDFHTSAUMHCBNM-GFCCVEGCSA-N -1 1 370.229 2.475 20 0 FEADMM C[C@@]12CN(C(=O)c3cccs3)C[C@@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC000992811951 680129755 /nfs/dbraw/zinc/12/97/55/680129755.db2.gz ABMLRYIBWAERNP-XIKOKIGWSA-N -1 1 357.435 2.083 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)o1 ZINC000751214558 680160261 /nfs/dbraw/zinc/16/02/61/680160261.db2.gz ROADWWIMEHWWMY-GFCCVEGCSA-N -1 1 373.814 2.122 20 0 FEADMM CCOc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000751214236 680160281 /nfs/dbraw/zinc/16/02/81/680160281.db2.gz KAGSQFPAXATADJ-UHFFFAOYSA-N -1 1 351.380 2.314 20 0 FEADMM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000832756861 680173455 /nfs/dbraw/zinc/17/34/55/680173455.db2.gz UXCZTCWGMRMLSQ-VIFPVBQESA-N -1 1 361.826 2.131 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](CN2CCOC2=O)C1 ZINC000832993445 680186024 /nfs/dbraw/zinc/18/60/24/680186024.db2.gz RTAJEHSGFBZVFA-JTQLQIEISA-N -1 1 369.215 2.069 20 0 FEADMM Cc1cscc1C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000993866761 680193651 /nfs/dbraw/zinc/19/36/51/680193651.db2.gz BMOZZOFGORKQSI-DGCLKSJQSA-N -1 1 359.451 2.295 20 0 FEADMM CN(C)C(=O)C1CCC(C(=O)Nc2nc(Br)ccc2[O-])CC1 ZINC000834298221 680209475 /nfs/dbraw/zinc/20/94/75/680209475.db2.gz LQTRTCQSQLGCSU-UHFFFAOYSA-N -1 1 370.247 2.383 20 0 FEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1sccc1F ZINC000981287232 680224373 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CCN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)CC1 ZINC000753769645 680313694 /nfs/dbraw/zinc/31/36/94/680313694.db2.gz IROZXTXKMLTSHF-UHFFFAOYSA-N -1 1 360.863 2.109 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)Cc2ccsc2)CCN1C(=O)c1ncccc1[O-] ZINC000984479318 680356623 /nfs/dbraw/zinc/35/66/23/680356623.db2.gz LHORKPFZJDGDEY-UONOGXRCSA-N -1 1 359.451 2.201 20 0 FEADMM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000912253021 685340659 /nfs/dbraw/zinc/34/06/59/685340659.db2.gz XFMUHVILHPEFDJ-TVQRCGJNSA-N -1 1 359.781 2.418 20 0 FEADMM C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000912240487 685336613 /nfs/dbraw/zinc/33/66/13/685336613.db2.gz FJRAGORNXRBQJQ-WCABBAIRSA-N -1 1 355.232 2.269 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc(F)c1F ZINC000755961395 680448784 /nfs/dbraw/zinc/44/87/84/680448784.db2.gz HYZARNXDUYLYJN-UHFFFAOYSA-N -1 1 369.345 2.487 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCc2c(F)cccc2Cl)co1 ZINC000756403537 680476742 /nfs/dbraw/zinc/47/67/42/680476742.db2.gz UUYACIAXWARBBE-UHFFFAOYSA-N -1 1 361.778 2.380 20 0 FEADMM CCC[C@@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)OC ZINC000836523186 680480116 /nfs/dbraw/zinc/48/01/16/680480116.db2.gz HJJXTIKFBOUKKH-CYDGBPFRSA-N -1 1 367.412 2.289 20 0 FEADMM CC[C@H](C)[C@H](CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)OC ZINC000836547604 680481817 /nfs/dbraw/zinc/48/18/17/680481817.db2.gz PYLHNBPIGRNXOV-AVGNSLFASA-N -1 1 367.412 2.148 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N(CCO)C(C)C)c1 ZINC000836739145 680505647 /nfs/dbraw/zinc/50/56/47/680505647.db2.gz SXMPRUKCLZDLBR-UHFFFAOYSA-N -1 1 361.364 2.408 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2C[C@H](O)[C@@H](C)C2)c1 ZINC000836740545 680505825 /nfs/dbraw/zinc/50/58/25/680505825.db2.gz OUDLURWCKJBQAG-GWCFXTLKSA-N -1 1 359.348 2.018 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N(C)C2CC(O)C2)c1 ZINC000836740837 680505833 /nfs/dbraw/zinc/50/58/33/680505833.db2.gz SMFPQHDULOPGAU-UHFFFAOYSA-N -1 1 359.348 2.161 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CC[C@@H](O)[C@H]2C)c1 ZINC000836744287 680506370 /nfs/dbraw/zinc/50/63/70/680506370.db2.gz DYTLDIHBUFJXAS-ZWNOBZJWSA-N -1 1 359.348 2.161 20 0 FEADMM COCC(COC)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000836865405 680525240 /nfs/dbraw/zinc/52/52/40/680525240.db2.gz ZAEVIDMCHVPJJG-UHFFFAOYSA-N -1 1 354.403 2.130 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)CNCC(F)(F)F)c1 ZINC000836950606 680533574 /nfs/dbraw/zinc/53/35/74/680533574.db2.gz NCQWZENAFADMHJ-UHFFFAOYSA-N -1 1 371.281 2.264 20 0 FEADMM CC[C@](COC)([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)OC ZINC000837254643 680574632 /nfs/dbraw/zinc/57/46/32/680574632.db2.gz ANWIGTUBYZQDTP-CQSZACIVSA-N -1 1 351.296 2.141 20 0 FEADMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000759051201 680623748 /nfs/dbraw/zinc/62/37/48/680623748.db2.gz WZGCFZSJMYUGHC-NSHDSACASA-N -1 1 354.222 2.052 20 0 FEADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000759191640 680633715 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C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccc(F)cc1F ZINC000843014701 680982054 /nfs/dbraw/zinc/98/20/54/680982054.db2.gz ALMFVWLNUOEZCV-LBPRGKRZSA-N -1 1 374.453 2.389 20 0 FEADMM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017351 680982446 /nfs/dbraw/zinc/98/24/46/680982446.db2.gz BNUOSJMWLLXHRI-AWEZNQCLSA-N -1 1 370.490 2.325 20 0 FEADMM CC(C)c1ccc(OCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843018174 680982706 /nfs/dbraw/zinc/98/27/06/680982706.db2.gz OKXKLFXKHXLRIG-UHFFFAOYSA-N -1 1 368.499 2.119 20 0 FEADMM CS[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccccc1 ZINC000843017536 680982718 /nfs/dbraw/zinc/98/27/18/680982718.db2.gz DPVPHCHCJXXOTN-AWEZNQCLSA-N -1 1 356.513 2.021 20 0 FEADMM Cc1ccc(SCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843018712 680982863 /nfs/dbraw/zinc/98/28/63/680982863.db2.gz ALHKYDSNXUUKSZ-UHFFFAOYSA-N -1 1 356.513 2.017 20 0 FEADMM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c(C)c1 ZINC000843019403 680983241 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COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000912531988 685393041 /nfs/dbraw/zinc/39/30/41/685393041.db2.gz WLTJLUDXGYSSQP-LBPRGKRZSA-N -1 1 367.427 2.090 20 0 FEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000912546824 685395898 /nfs/dbraw/zinc/39/58/98/685395898.db2.gz IOSKLZWWRIIKCH-HNNXBMFYSA-N -1 1 363.439 2.406 20 0 FEADMM CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000845265561 681114908 /nfs/dbraw/zinc/11/49/08/681114908.db2.gz BQANCWISPGZVPZ-UHFFFAOYSA-N -1 1 373.282 2.312 20 0 FEADMM O=C(c1csc(Cc2ccccc2)n1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773160114 681128230 /nfs/dbraw/zinc/12/82/30/681128230.db2.gz HSKUEUJNHVTFBD-CYBMUJFWSA-N -1 1 372.479 2.177 20 0 FEADMM O=C(COc1ccc(Cl)c(Cl)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773165381 681128590 /nfs/dbraw/zinc/12/85/90/681128590.db2.gz WRBXBLRWQGSGPL-LLVKDONJSA-N -1 1 374.253 2.202 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2ccc([O-])cc2F)C1 ZINC000773569174 681148551 /nfs/dbraw/zinc/14/85/51/681148551.db2.gz VGPLTZCYWCXTIZ-CQSZACIVSA-N -1 1 353.346 2.267 20 0 FEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773577151 681149219 /nfs/dbraw/zinc/14/92/19/681149219.db2.gz RHPOHETUJWASJK-LRDDRELGSA-N -1 1 353.390 2.400 20 0 FEADMM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773755110 681154650 /nfs/dbraw/zinc/15/46/50/681154650.db2.gz BJGRCPLFKAMMHO-UHFFFAOYSA-N -1 1 355.423 2.003 20 0 FEADMM Cc1nc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)s1 ZINC000774023709 681165267 /nfs/dbraw/zinc/16/52/67/681165267.db2.gz JSDHQUUYWWJHQJ-UHFFFAOYSA-N -1 1 360.370 2.200 20 0 FEADMM COc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc2c1O[C@@H](C)C2 ZINC000774897968 681247797 /nfs/dbraw/zinc/24/77/97/681247797.db2.gz TYXVSOJIHGOJJS-VIFPVBQESA-N -1 1 361.316 2.244 20 0 FEADMM Cn1cc(-c2cccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c2)cn1 ZINC000774964496 681257557 /nfs/dbraw/zinc/25/75/57/681257557.db2.gz XITFIBLYYMHMIH-UHFFFAOYSA-N -1 1 355.316 2.313 20 0 FEADMM C[C@@](O)(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cc1 ZINC000847094165 681332448 /nfs/dbraw/zinc/33/24/48/681332448.db2.gz XRWVYNDPHDCUEE-QFYYESIMSA-N -1 1 351.790 2.042 20 0 FEADMM C[C@](O)(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cc1 ZINC000847094162 681332704 /nfs/dbraw/zinc/33/27/04/681332704.db2.gz XRWVYNDPHDCUEE-MGPLVRAMSA-N -1 1 351.790 2.042 20 0 FEADMM CC[C@@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)[C@@H]1CCCO1 ZINC000847341603 681365675 /nfs/dbraw/zinc/36/56/75/681365675.db2.gz AUNNIMJCKRWKMN-LPWJVIDDSA-N -1 1 365.396 2.185 20 0 FEADMM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847347052 681366603 /nfs/dbraw/zinc/36/66/03/681366603.db2.gz AIXMYRZIMVXIPC-FDYHWXHSSA-N -1 1 365.396 2.043 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCC[C@H]1CCOC1 ZINC000847382035 681371363 /nfs/dbraw/zinc/37/13/63/681371363.db2.gz HQKCTGVLFAIUMU-FRRDWIJNSA-N -1 1 365.396 2.044 20 0 FEADMM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(C(F)(F)F)cc1[O-] 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FEADMM COc1cnc([C@@H]2CCCN2Cc2nn(C)cc2Br)[n-]c1=O ZINC000934278753 681543559 /nfs/dbraw/zinc/54/35/59/681543559.db2.gz HCZDPTIEYFUILV-NSHDSACASA-N -1 1 368.235 2.024 20 0 FEADMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000777924812 681544510 /nfs/dbraw/zinc/54/45/10/681544510.db2.gz UWMTVEOMGGBQLL-UHFFFAOYSA-N -1 1 364.379 2.419 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCCCCCO)c1F ZINC000848449060 681545733 /nfs/dbraw/zinc/54/57/33/681545733.db2.gz YJAGKEWDZZYPDU-UHFFFAOYSA-N -1 1 367.826 2.097 20 0 FEADMM CN(C)c1nc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cs1 ZINC000778015453 681558445 /nfs/dbraw/zinc/55/84/45/681558445.db2.gz WJUYHCMLJRYDSA-UHFFFAOYSA-N -1 1 367.283 2.389 20 0 FEADMM CCn1c(C)nn(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1=S ZINC000848501760 681562737 /nfs/dbraw/zinc/56/27/37/681562737.db2.gz FJGFYOYCGLZSAU-MWLCHTKSSA-N -1 1 365.425 2.231 20 0 FEADMM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)c(C)s1 ZINC000948626552 681590556 /nfs/dbraw/zinc/59/05/56/681590556.db2.gz LXHDJINDJCJVDL-QMTHXVAHSA-N -1 1 359.451 2.356 20 0 FEADMM CSCC[C@H](NC(=O)CCCOc1ccc(F)cc1)c1nn[n-]n1 ZINC000912860242 685458331 /nfs/dbraw/zinc/45/83/31/685458331.db2.gz PEJNEFCYAPNXMD-ZDUSSCGKSA-N -1 1 353.423 2.108 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(C)nc(Cl)c2)cc1 ZINC000778563433 681624440 /nfs/dbraw/zinc/62/44/40/681624440.db2.gz RGGMTQHFVXSDBO-UHFFFAOYSA-N -1 1 362.769 2.165 20 0 FEADMM CSCC[C@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)c1nn[n-]n1 ZINC000912861235 685459444 /nfs/dbraw/zinc/45/94/44/685459444.db2.gz HSDUKPRNRQPDLI-GJZGRUSLSA-N -1 1 361.471 2.318 20 0 FEADMM CSCC[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1nn[n-]n1 ZINC000912861489 685460026 /nfs/dbraw/zinc/46/00/26/685460026.db2.gz MUSMWSFKALTEFR-AWEZNQCLSA-N -1 1 358.471 2.235 20 0 FEADMM CSCC[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1nn[n-]n1 ZINC000912861482 685460367 /nfs/dbraw/zinc/46/03/67/685460367.db2.gz MKCOZRYRZRITBV-AUTRQRHGSA-N -1 1 353.398 2.192 20 0 FEADMM CSCC[C@H](NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nn[n-]n1 ZINC000912861996 685460422 /nfs/dbraw/zinc/46/04/22/685460422.db2.gz GLZOYDZNXLEOAZ-AUTRQRHGSA-N -1 1 371.388 2.331 20 0 FEADMM COCCc1noc(COC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000778827788 681653206 /nfs/dbraw/zinc/65/32/06/681653206.db2.gz JGTUHIXNAGJBDK-UHFFFAOYSA-N -1 1 357.160 2.084 20 0 FEADMM CN1CCc2cc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)ccc21 ZINC000779049571 681675392 /nfs/dbraw/zinc/67/53/92/681675392.db2.gz PSBYPWHLOZCTPN-UHFFFAOYSA-N -1 1 363.414 2.442 20 0 FEADMM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC[C@H]1c1nnc[nH]1 ZINC000912965984 685468039 /nfs/dbraw/zinc/46/80/39/685468039.db2.gz MPCOIGIIBOYIJK-LBPRGKRZSA-N -1 1 358.789 2.327 20 0 FEADMM O=C(Cc1ccc(SC2CC2)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935457582 681755217 /nfs/dbraw/zinc/75/52/17/681755217.db2.gz UPRKLVPXZCVYQE-CQSZACIVSA-N -1 1 361.496 2.313 20 0 FEADMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cnn1C ZINC000779838650 681758590 /nfs/dbraw/zinc/75/85/90/681758590.db2.gz FYCCFFYHIMLBIR-UHFFFAOYSA-N -1 1 365.745 2.159 20 0 FEADMM COc1cc(C(=O)N2CCN(Cc3cncs3)CC2)cc(Cl)c1[O-] ZINC000913414976 685476780 /nfs/dbraw/zinc/47/67/80/685476780.db2.gz CQBSUGHTPMQCCI-UHFFFAOYSA-N -1 1 367.858 2.469 20 0 FEADMM CN(C)c1ccc([S@@](C)(=O)=NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000913504378 685478989 /nfs/dbraw/zinc/47/89/89/685478989.db2.gz FVOIYOJOEKCZGZ-RUZDIDTESA-N -1 1 360.439 2.423 20 0 FEADMM Cc1cnc(SCCN2CCN(C(=O)OC(C)(C)C)CC2)[n-]c1=O ZINC000849902813 681822142 /nfs/dbraw/zinc/82/21/42/681822142.db2.gz FEZNQDRCVJLVQM-UHFFFAOYSA-N -1 1 354.476 2.135 20 0 FEADMM Cc1cc(Br)c(F)c(C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913745769 685484193 /nfs/dbraw/zinc/48/41/93/685484193.db2.gz NLFDYDCWDAOISC-UHFFFAOYSA-N -1 1 368.210 2.430 20 0 FEADMM O=C(Cc1scnc1-c1ccccc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913746554 685484269 /nfs/dbraw/zinc/48/42/69/685484269.db2.gz ZULXNVSKHCXDMA-UHFFFAOYSA-N -1 1 354.439 2.272 20 0 FEADMM CC(C)[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000780444406 681828287 /nfs/dbraw/zinc/82/82/87/681828287.db2.gz APEWNNACQLYTDV-MRXNPFEDSA-N -1 1 351.422 2.199 20 0 FEADMM O=C(COC(=O)[C@H]1C[C@H]2C[C@H]2C1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000850262445 681874460 /nfs/dbraw/zinc/87/44/60/681874460.db2.gz XJGOJSYUGDBMES-GDNZZTSVSA-N -1 1 353.321 2.134 20 0 FEADMM CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1cncc([O-])c1 ZINC000914086078 685493908 /nfs/dbraw/zinc/49/39/08/685493908.db2.gz AUTIILZVNMZHGR-UHFFFAOYSA-N -1 1 363.336 2.316 20 0 FEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(=O)C(C)C)c1F ZINC000914376745 685505935 /nfs/dbraw/zinc/50/59/35/685505935.db2.gz IYYNDGDLFABGCT-UHFFFAOYSA-N -1 1 368.224 2.100 20 0 FEADMM CCOC(=O)[C@H](CC(C)C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000782225146 682019288 /nfs/dbraw/zinc/01/92/88/682019288.db2.gz JTAGCBAZPQAFQZ-AWEZNQCLSA-N -1 1 358.460 2.456 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1cccc(Cl)c1 ZINC000940072100 682027285 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CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000055678453 540670096 /nfs/dbraw/zinc/67/00/96/540670096.db2.gz OCRLGGCSKBTUQI-UHFFFAOYSA-N -1 1 351.359 2.195 20 0 FEADMM CC[C@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000056080273 540700598 /nfs/dbraw/zinc/70/05/98/540700598.db2.gz HNZLANWJNUQUGP-NSHDSACASA-N -1 1 365.455 2.298 20 0 FEADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000226860358 209368393 /nfs/dbraw/zinc/36/83/93/209368393.db2.gz PVJNUVZTCCECRG-UHFFFAOYSA-N -1 1 350.783 2.333 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1 ZINC000058496187 540846277 /nfs/dbraw/zinc/84/62/77/540846277.db2.gz XRWPTFGRDPKIFL-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CCNC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000060499915 541115053 /nfs/dbraw/zinc/11/50/53/541115053.db2.gz BDUKQEJOYYSSOL-UHFFFAOYSA-N -1 1 372.368 2.332 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000062930688 541155227 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CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000067542209 541477841 /nfs/dbraw/zinc/47/78/41/541477841.db2.gz MGMPEIVCYYTDIJ-ZIAGYGMSSA-N -1 1 370.453 2.492 20 0 FEADMM CCn1c(C2CCN(C(=O)CNC(=O)CC(C)(C)C)CC2)n[n-]c1=S ZINC000068453405 541594376 /nfs/dbraw/zinc/59/43/76/541594376.db2.gz BGTWOFBQRHYGJU-UHFFFAOYSA-N -1 1 367.519 2.219 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000068429374 541590690 /nfs/dbraw/zinc/59/06/90/541590690.db2.gz ZBIIMRKUCMMESM-OAHLLOKOSA-N -1 1 371.466 2.377 20 0 FEADMM CCOc1cccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000068794642 541629586 /nfs/dbraw/zinc/62/95/86/541629586.db2.gz IWAWJSSAQONJLL-LLVKDONJSA-N -1 1 352.412 2.077 20 0 FEADMM CC(=O)N1CCc2cc(C(=O)NCCc3n[n-]c(=S)n3C(C)C)ccc21 ZINC000097552787 209186482 /nfs/dbraw/zinc/18/64/82/209186482.db2.gz OSBRCSBXAJPMSQ-UHFFFAOYSA-N -1 1 373.482 2.403 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000097552686 209185113 /nfs/dbraw/zinc/18/51/13/209185113.db2.gz KBIDETJFQNUQBJ-ZDUSSCGKSA-N -1 1 371.466 2.310 20 0 FEADMM CCOC[C@H]1CCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000070926169 541752861 /nfs/dbraw/zinc/75/28/61/541752861.db2.gz IMMXVMVFRAWEFB-ZDUSSCGKSA-N -1 1 353.488 2.008 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000097099569 209170274 /nfs/dbraw/zinc/17/02/74/209170274.db2.gz KYCQUNZDKDMOHL-UHFFFAOYSA-N -1 1 357.410 2.377 20 0 FEADMM CCOc1nnc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])s1 ZINC000801325352 674121667 /nfs/dbraw/zinc/12/16/67/674121667.db2.gz DJRKDQJRVVDFNH-UHFFFAOYSA-N -1 1 364.358 2.324 20 0 FEADMM CC[C@H](C)NC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801375467 674124899 /nfs/dbraw/zinc/12/48/99/674124899.db2.gz NRIDFIMJLAALPJ-JTQLQIEISA-N -1 1 351.790 2.303 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)c1 ZINC000551116023 674124988 /nfs/dbraw/zinc/12/49/88/674124988.db2.gz RSKITCXZSJICJJ-UHFFFAOYSA-N -1 1 358.419 2.486 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000551168706 674128090 /nfs/dbraw/zinc/12/80/90/674128090.db2.gz ABWBHLFQJAKKIC-UHFFFAOYSA-N -1 1 356.806 2.187 20 0 FEADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C2 ZINC000551172906 674128657 /nfs/dbraw/zinc/12/86/57/674128657.db2.gz PWIARGAUYJWZEM-LBPRGKRZSA-N -1 1 355.822 2.413 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000074162322 542045492 /nfs/dbraw/zinc/04/54/92/542045492.db2.gz NLNFSJALCLUKDB-UHFFFAOYSA-N -1 1 354.454 2.472 20 0 FEADMM CC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCOCC1 ZINC000074418273 542082202 /nfs/dbraw/zinc/08/22/02/542082202.db2.gz ACVFDEWMMHSUSG-AWEZNQCLSA-N -1 1 353.488 2.054 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000074631925 542105869 /nfs/dbraw/zinc/10/58/69/542105869.db2.gz JOGGURPFLYBDAV-UHFFFAOYSA-N -1 1 364.423 2.206 20 0 FEADMM COCCOC[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000075196401 542158395 /nfs/dbraw/zinc/15/83/95/542158395.db2.gz 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ZINC000077704331 542409553 /nfs/dbraw/zinc/40/95/53/542409553.db2.gz XYNUBBLVGUFPBV-UHFFFAOYSA-N -1 1 360.313 2.485 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000080176562 542571312 /nfs/dbraw/zinc/57/13/12/542571312.db2.gz WYSIPRZDAZMDKF-GFCCVEGCSA-N -1 1 360.487 2.195 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3CC(=O)N(C(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000080691033 542602460 /nfs/dbraw/zinc/60/24/60/542602460.db2.gz AJEVPGXWZZVVSA-AWEZNQCLSA-N -1 1 355.442 2.260 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccco1 ZINC000080790840 542608508 /nfs/dbraw/zinc/60/85/08/542608508.db2.gz JSOHLAZYWNLHHH-JTQLQIEISA-N -1 1 361.217 2.103 20 0 FEADMM CC(C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000080979529 542622055 /nfs/dbraw/zinc/62/20/55/542622055.db2.gz WFTHOPGCGPWSHA-UHFFFAOYSA-N -1 1 357.382 2.343 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2cnn(C)c2)n1 ZINC000082994861 542688390 /nfs/dbraw/zinc/68/83/90/542688390.db2.gz NVENNBAQAYBLCU-UHFFFAOYSA-N -1 1 366.425 2.424 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@@H](CC(C)C)c2ccccc2)n[n-]1 ZINC000086170365 542734530 /nfs/dbraw/zinc/73/45/30/542734530.db2.gz UKZDZUPCALEYHU-AWEZNQCLSA-N -1 1 364.471 2.044 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(F)ccc1[O-] ZINC000094078393 542950294 /nfs/dbraw/zinc/95/02/94/542950294.db2.gz NEURWLFBGFAIIG-QGZVFWFLSA-N -1 1 356.397 2.495 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000102632674 543075334 /nfs/dbraw/zinc/07/53/34/543075334.db2.gz LEEJXMHTQPTAEA-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1(O)CCCC1 ZINC000102484012 543071339 /nfs/dbraw/zinc/07/13/39/543071339.db2.gz ZXZKEYGJVRTCTA-UHFFFAOYSA-N -1 1 374.462 2.409 20 0 FEADMM Cc1ccsc1S(=O)(=O)[N-][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000551888442 674169281 /nfs/dbraw/zinc/16/92/81/674169281.db2.gz NMDJNEFUSFXMFA-GFCCVEGCSA-N -1 1 357.457 2.194 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)c1ccccc1F ZINC000104151279 543125627 /nfs/dbraw/zinc/12/56/27/543125627.db2.gz BABTWJFOZCSIMU-UHFFFAOYSA-N -1 1 370.428 2.415 20 0 FEADMM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000106234226 543220961 /nfs/dbraw/zinc/22/09/61/543220961.db2.gz BBIUSFCWXCDLAH-CQSZACIVSA-N -1 1 352.412 2.264 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)c(C)s1 ZINC000109424605 543324847 /nfs/dbraw/zinc/32/48/47/543324847.db2.gz RBYFNHYHSPSCNQ-UHFFFAOYSA-N -1 1 365.480 2.102 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nccs2)o1 ZINC000116141005 543600310 /nfs/dbraw/zinc/60/03/10/543600310.db2.gz USPJYASDUXWYBC-UHFFFAOYSA-N -1 1 371.484 2.478 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1F ZINC000116158452 543600994 /nfs/dbraw/zinc/60/09/94/543600994.db2.gz VVJVLSVKJZWANJ-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(=O)n(C)c2)sc1Br ZINC000123642461 543774305 /nfs/dbraw/zinc/77/43/05/543774305.db2.gz OOPKVIBEOXMWBA-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM C[C@H](CN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1nn[n-]n1 ZINC000124052160 543798448 /nfs/dbraw/zinc/79/84/48/543798448.db2.gz HLZGSTGSQPMTNS-PELKAZGASA-N -1 1 358.229 2.192 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nn1-c1cc(C)cc(C)c1 ZINC000124168713 543804639 /nfs/dbraw/zinc/80/46/39/543804639.db2.gz LWOAYZWMQMPIGZ-CYBMUJFWSA-N -1 1 353.430 2.186 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000125975067 543912014 /nfs/dbraw/zinc/91/20/14/543912014.db2.gz DTEMHVCHMDZBFW-UHFFFAOYSA-N -1 1 371.422 2.281 20 0 FEADMM CC(C)c1ccc2nc(-c3ccc(NS(N)(=O)=O)cc3)[n-]c(=O)c2c1 ZINC000126771458 543955568 /nfs/dbraw/zinc/95/55/68/543955568.db2.gz JJWFQHSJWCQEDT-UHFFFAOYSA-N -1 1 358.423 2.329 20 0 FEADMM O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129378129 544108792 /nfs/dbraw/zinc/10/87/92/544108792.db2.gz BKSQLQVYLUJHOR-OAHLLOKOSA-N -1 1 361.405 2.451 20 0 FEADMM O=C(c1cccc(OCc2cccnc2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129435640 544112484 /nfs/dbraw/zinc/11/24/84/544112484.db2.gz FFEYOQNPWQUBKW-MRXNPFEDSA-N -1 1 364.409 2.194 20 0 FEADMM Cc1noc(C)c1C[C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000130230095 544143382 /nfs/dbraw/zinc/14/33/82/544143382.db2.gz AGLFJUWTJXNICD-JTQLQIEISA-N -1 1 371.441 2.337 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1CO)c1sccc1Br ZINC000134041671 544292248 /nfs/dbraw/zinc/29/22/48/544292248.db2.gz LCWHSNQSYRSJIK-WCBMZHEXSA-N -1 1 354.291 2.340 20 0 FEADMM Cc1ccc(NC(=O)CO)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000136066674 544366200 /nfs/dbraw/zinc/36/62/00/544366200.db2.gz PMQVOZBSSQIFNE-UHFFFAOYSA-N -1 1 354.815 2.380 20 0 FEADMM CCC[C@H](NC(=O)CN(Cc1cccnc1)c1ccccc1)c1nn[n-]n1 ZINC000136735956 544378167 /nfs/dbraw/zinc/37/81/67/544378167.db2.gz ZJYIJLOCAGIJFG-KRWDZBQOSA-N -1 1 365.441 2.259 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000136772717 544378793 /nfs/dbraw/zinc/37/87/93/544378793.db2.gz VDCPYKWBFFVQRF-CYBMUJFWSA-N -1 1 363.421 2.498 20 0 FEADMM CC(C)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n[nH]1 ZINC000143612438 544423460 /nfs/dbraw/zinc/42/34/60/544423460.db2.gz MTIHWFKQSKALDQ-UHFFFAOYSA-N -1 1 354.432 2.455 20 0 FEADMM CCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151023869 544497499 /nfs/dbraw/zinc/49/74/99/544497499.db2.gz RQJCYYSMHDQYRU-UHFFFAOYSA-N -1 1 358.769 2.163 20 0 FEADMM CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1=O ZINC000151216917 544518213 /nfs/dbraw/zinc/51/82/13/544518213.db2.gz GWJSDSWPUBAVLO-MRVPVSSYSA-N -1 1 370.780 2.258 20 0 FEADMM CC(C)n1cnc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000151754655 544576377 /nfs/dbraw/zinc/57/63/77/544576377.db2.gz MLWBGIDOHUEDKV-HNNXBMFYSA-N -1 1 362.499 2.189 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000152197450 544625123 /nfs/dbraw/zinc/62/51/23/544625123.db2.gz HCJMGMQYUKPCSZ-WFASDCNBSA-N -1 1 357.454 2.098 20 0 FEADMM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)[N-]OCc1cccnc1 ZINC000152313837 544638120 /nfs/dbraw/zinc/63/81/20/544638120.db2.gz ROWZUFTYZFRIEQ-UHFFFAOYSA-N -1 1 366.425 2.081 20 0 FEADMM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000152322101 544638639 /nfs/dbraw/zinc/63/86/39/544638639.db2.gz IAIOAPSRFCLVMY-UHFFFAOYSA-N -1 1 362.354 2.380 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000152344479 544641589 /nfs/dbraw/zinc/64/15/89/544641589.db2.gz VAGSDXLUPRUTOW-NSHDSACASA-N -1 1 370.215 2.431 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)cc1O ZINC000153597166 544796537 /nfs/dbraw/zinc/79/65/37/544796537.db2.gz BKVXJGQKSUUCPP-UHFFFAOYSA-N -1 1 371.784 2.076 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000154363482 544896389 /nfs/dbraw/zinc/89/63/89/544896389.db2.gz GIJBLKMNGQIYSF-UHFFFAOYSA-N -1 1 362.451 2.047 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[nH]c2c1cccc2Cl ZINC000154238482 544880474 /nfs/dbraw/zinc/88/04/74/544880474.db2.gz RILJGMDKCMVHKK-UHFFFAOYSA-N -1 1 370.800 2.350 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000553363654 674255506 /nfs/dbraw/zinc/25/55/06/674255506.db2.gz LPINMZRUIJNNQR-UHFFFAOYSA-N -1 1 359.394 2.101 20 0 FEADMM CN(C)[C@]1(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCSC1 ZINC000553421750 674260754 /nfs/dbraw/zinc/26/07/54/674260754.db2.gz AXJJHPHXACFRET-ZDUSSCGKSA-N -1 1 370.874 2.334 20 0 FEADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)co1 ZINC000182157730 327763383 /nfs/dbraw/zinc/76/33/83/327763383.db2.gz RMXIYMZOOFBQPW-UHFFFAOYSA-N -1 1 370.437 2.020 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)o1 ZINC000182940971 327794655 /nfs/dbraw/zinc/79/46/55/327794655.db2.gz NWWJLENHMXXLRK-UHFFFAOYSA-N -1 1 362.451 2.473 20 0 FEADMM C[C@]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)(C(N)=O)c1ccccc1 ZINC000553765905 674284761 /nfs/dbraw/zinc/28/47/61/674284761.db2.gz BGJXVKLLWLNRBV-OAHLLOKOSA-N -1 1 374.796 2.297 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000184966379 327892363 /nfs/dbraw/zinc/89/23/63/327892363.db2.gz QLNBNCWNLVBJST-ZDUSSCGKSA-N -1 1 354.472 2.092 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)N1CCC(C)CC1 ZINC000184966847 327892488 /nfs/dbraw/zinc/89/24/88/327892488.db2.gz ZPZAZNPOBVCWQE-LBPRGKRZSA-N -1 1 374.890 2.437 20 0 FEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000185052607 327896920 /nfs/dbraw/zinc/89/69/20/327896920.db2.gz KRVMTPGJIDNDNN-UHFFFAOYSA-N -1 1 368.480 2.199 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@H]2CN2CCOCC2)cc(Cl)c1[O-] ZINC000186837917 327985522 /nfs/dbraw/zinc/98/55/22/327985522.db2.gz LLHGXMUPQGNVPM-AWEZNQCLSA-N -1 1 368.861 2.381 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)cc1 ZINC000187071817 328000568 /nfs/dbraw/zinc/00/05/68/328000568.db2.gz OHWMYIPCSMYFKG-UHFFFAOYSA-N -1 1 352.387 2.303 20 0 FEADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000188900751 328116735 /nfs/dbraw/zinc/11/67/35/328116735.db2.gz VMKLHSXHJGQXFG-UHFFFAOYSA-N -1 1 361.423 2.331 20 0 FEADMM Cc1nc2nc(S(=O)(=O)CC[C@H]3CCCO3)[n-]c2cc1Br ZINC000188941511 328119168 /nfs/dbraw/zinc/11/91/68/328119168.db2.gz WXDAKUMZSOMQMK-SECBINFHSA-N -1 1 374.260 2.372 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)CC[C@H]3CCCO3)nc-2cc1Br ZINC000188941511 328119170 /nfs/dbraw/zinc/11/91/70/328119170.db2.gz WXDAKUMZSOMQMK-SECBINFHSA-N -1 1 374.260 2.372 20 0 FEADMM CC(C)(C)C(=O)CNC(=O)c1cc(I)ccc1[O-] ZINC000189850559 328171329 /nfs/dbraw/zinc/17/13/29/328171329.db2.gz RIMAYTDZJVTLAK-UHFFFAOYSA-N -1 1 361.179 2.342 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)ccc1F ZINC000190723239 328227695 /nfs/dbraw/zinc/22/76/95/328227695.db2.gz WUXJDSWNSPYMET-UHFFFAOYSA-N -1 1 362.386 2.431 20 0 FEADMM Cc1ccc(C[C@@H](CO)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000191002556 328245018 /nfs/dbraw/zinc/24/50/18/328245018.db2.gz XWOLXBUDJQRPKL-HNNXBMFYSA-N -1 1 357.454 2.018 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@]2(CO)CC(C)C)c(=O)[n-]1 ZINC000191483484 328267949 /nfs/dbraw/zinc/26/79/49/328267949.db2.gz AZGVIBLMJLGOHH-SFHVURJKSA-N -1 1 367.515 2.132 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1CO ZINC000191847202 328284505 /nfs/dbraw/zinc/28/45/05/328284505.db2.gz YAQWJBQGLBKWBJ-ZBFHGGJFSA-N -1 1 374.462 2.188 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)o1 ZINC000193089014 328356559 /nfs/dbraw/zinc/35/65/59/328356559.db2.gz IKHRMZQKLMLAPX-UHFFFAOYSA-N -1 1 364.398 2.256 20 0 FEADMM Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)s2)cc1 ZINC000193474263 328377504 /nfs/dbraw/zinc/37/75/04/328377504.db2.gz GYIBHCFKRMYQJB-SFHVURJKSA-N -1 1 356.451 2.293 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccnc1-n1cccn1 ZINC000194563311 328430012 /nfs/dbraw/zinc/43/00/12/328430012.db2.gz SUZJNANWCYNYSD-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM O=C(NCCCCO)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000194996181 328450444 /nfs/dbraw/zinc/45/04/44/328450444.db2.gz XROYWAAMXNEDNL-UHFFFAOYSA-N -1 1 366.414 2.129 20 0 FEADMM O=C(NCCCCO)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000194998272 328450906 /nfs/dbraw/zinc/45/09/06/328450906.db2.gz YFMXDIFYNXQVJG-UHFFFAOYSA-N -1 1 366.414 2.129 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2[nH]1 ZINC000005252675 324348428 /nfs/dbraw/zinc/34/84/28/324348428.db2.gz KIIPUCKKXXOABY-UHFFFAOYSA-N -1 1 368.212 2.420 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C ZINC000007057049 324353261 /nfs/dbraw/zinc/35/32/61/324353261.db2.gz SFAHXTNQYGPHFD-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM COCC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000012068569 324371375 /nfs/dbraw/zinc/37/13/75/324371375.db2.gz IEIYXFZSYHKIKG-UHFFFAOYSA-N -1 1 364.398 2.162 20 0 FEADMM O=C(NCCOCC(F)F)c1ccc(I)c([O-])c1 ZINC000231805365 328487868 /nfs/dbraw/zinc/48/78/68/328487868.db2.gz OVUDWJZRNMIGPY-UHFFFAOYSA-N -1 1 371.121 2.008 20 0 FEADMM O=C(NC[C@@H]1CCSC1)c1cc(I)ccc1[O-] ZINC000229695479 328485923 /nfs/dbraw/zinc/48/59/23/328485923.db2.gz XHKRQPOYIBRYFG-QMMMGPOBSA-N -1 1 363.220 2.480 20 0 FEADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc(I)ccc1[O-] ZINC000236572593 328489301 /nfs/dbraw/zinc/48/93/01/328489301.db2.gz CQXOFAUBZLMYOK-YPMHNXCESA-N -1 1 373.190 2.294 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)cc1F ZINC000055678490 324785812 /nfs/dbraw/zinc/78/58/12/324785812.db2.gz ZKSQPYVVWVSHSI-UHFFFAOYSA-N -1 1 352.387 2.385 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1ccc(F)cc1 ZINC000064316787 324871909 /nfs/dbraw/zinc/87/19/09/324871909.db2.gz JCSWRZRSYOLMJE-UHFFFAOYSA-N -1 1 356.401 2.482 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2csc3ccccc23)o1 ZINC000077281806 324984127 /nfs/dbraw/zinc/98/41/27/324984127.db2.gz FOXBDEIMWYFMAU-UHFFFAOYSA-N -1 1 364.448 2.375 20 0 FEADMM Cc1cccc2nc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cn21 ZINC000080650003 325139180 /nfs/dbraw/zinc/13/91/80/325139180.db2.gz HWBJAWUVVKHCGN-UHFFFAOYSA-N -1 1 353.426 2.262 20 0 FEADMM NC(=O)C1CCN(c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)CC1 ZINC000081958317 325204534 /nfs/dbraw/zinc/20/45/34/325204534.db2.gz BBBKNSOSXYUDDJ-UHFFFAOYSA-N -1 1 357.385 2.485 20 0 FEADMM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938523 325247301 /nfs/dbraw/zinc/24/73/01/325247301.db2.gz NBOLDJXZSFMQFU-UHFFFAOYSA-N -1 1 362.407 2.433 20 0 FEADMM C[S@](=O)c1cccc(NC(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000085589022 325257026 /nfs/dbraw/zinc/25/70/26/325257026.db2.gz DQGNMQXJRXEMNY-HSZRJFAPSA-N -1 1 351.457 2.335 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1OCCc2ccccc21 ZINC000091160243 325376015 /nfs/dbraw/zinc/37/60/15/325376015.db2.gz GWVPAJVCKCTJJJ-INIZCTEOSA-N -1 1 364.398 2.450 20 0 FEADMM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000105565172 325569471 /nfs/dbraw/zinc/56/94/71/325569471.db2.gz UAVDESYPJVKKDE-UHFFFAOYSA-N -1 1 359.329 2.175 20 0 FEADMM COc1cc(NC(=O)C2=Cc3ccccc3OC2)ccc1[N-]S(C)(=O)=O ZINC000106019566 325574476 /nfs/dbraw/zinc/57/44/76/325574476.db2.gz WUDZDQHZTCDDOK-UHFFFAOYSA-N -1 1 374.418 2.481 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(N)=O)c1 ZINC000115896809 325985620 /nfs/dbraw/zinc/98/56/20/325985620.db2.gz QVSVPEWEDNCUAT-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)cc21 ZINC000116159312 325996144 /nfs/dbraw/zinc/99/61/44/325996144.db2.gz WBOULUNMFJJJNE-UHFFFAOYSA-N -1 1 370.434 2.143 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c(F)c1 ZINC000116601329 326026812 /nfs/dbraw/zinc/02/68/12/326026812.db2.gz XGIJHRZGQMEPAN-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000116711565 326030408 /nfs/dbraw/zinc/03/04/08/326030408.db2.gz ZIGQFCNTQAEGTK-QFIPXVFZSA-N -1 1 353.465 2.383 20 0 FEADMM Cc1ccc(N2CCCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)cc1 ZINC000119168169 326133531 /nfs/dbraw/zinc/13/35/31/326133531.db2.gz JZLXTHNQPURSRA-UHFFFAOYSA-N -1 1 365.437 2.335 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCCc1nc3c(s1)CCCC3)c2=O ZINC000119208637 326137942 /nfs/dbraw/zinc/13/79/42/326137942.db2.gz CBZLWMGNVYKAEL-UHFFFAOYSA-N -1 1 371.466 2.372 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000120302952 326247779 /nfs/dbraw/zinc/24/77/79/326247779.db2.gz BCQBPSGBKHIMHZ-GQWLDOHISA-N -1 1 362.433 2.027 20 0 FEADMM Cc1c(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1C ZINC000122018103 326380902 /nfs/dbraw/zinc/38/09/02/326380902.db2.gz CMJGBBPNPIIJMY-UHFFFAOYSA-N -1 1 356.426 2.239 20 0 FEADMM Cc1c(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cnn1CCC(C)C ZINC000122365779 326394297 /nfs/dbraw/zinc/39/42/97/326394297.db2.gz REOUXKONRNNTNV-UHFFFAOYSA-N -1 1 370.457 2.372 20 0 FEADMM C[C@@H](CCCO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000122451207 326397252 /nfs/dbraw/zinc/39/72/52/326397252.db2.gz XXPWPOHCNHWHPB-KBXCAEBGSA-N -1 1 370.449 2.427 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(=O)[n-]1 ZINC000126183496 326484762 /nfs/dbraw/zinc/48/47/62/326484762.db2.gz QFALTGURSWVPFS-HYVNUMGLSA-N -1 1 355.463 2.187 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000126609493 326491966 /nfs/dbraw/zinc/49/19/66/326491966.db2.gz HTBRUHDLZFWIEB-PMPSAXMXSA-N -1 1 358.442 2.058 20 0 FEADMM CCc1cc2c(CN3CCS(=O)(=O)[C@H](C)[C@@H]3C)cc(=O)oc2cc1[O-] ZINC000126764605 326494708 /nfs/dbraw/zinc/49/47/08/326494708.db2.gz YJHZKGDRQFRPGT-NWDGAFQWSA-N -1 1 365.451 2.068 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])oc1C ZINC000127328036 326504466 /nfs/dbraw/zinc/50/44/66/326504466.db2.gz KVOKJWPVAVLFFB-UHFFFAOYSA-N -1 1 350.396 2.295 20 0 FEADMM C[C@H](NC(=O)c1ncccc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000130316935 326554785 /nfs/dbraw/zinc/55/47/85/326554785.db2.gz OGEIEKRKBYSWJU-ZDUSSCGKSA-N -1 1 354.410 2.144 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cc(Cl)c[nH]1 ZINC000130475025 326557552 /nfs/dbraw/zinc/55/75/52/326557552.db2.gz OFNZILOSMJKQAJ-UHFFFAOYSA-N -1 1 355.803 2.067 20 0 FEADMM CCC[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134274563 326622752 /nfs/dbraw/zinc/62/27/52/326622752.db2.gz BSWGJWILGCAPPW-QAPCUYQASA-N -1 1 370.449 2.427 20 0 FEADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000135444105 326641492 /nfs/dbraw/zinc/64/14/92/326641492.db2.gz BQAWSUVCQITYRF-CYBMUJFWSA-N -1 1 366.396 2.461 20 0 FEADMM CN1C(=S)N=NC1C1CCN(C(=O)c2c([O-])cnc3ccccc32)CC1 ZINC000136762805 326655143 /nfs/dbraw/zinc/65/51/43/326655143.db2.gz ZTGHXKNPNHVZDR-UHFFFAOYSA-N -1 1 369.450 2.377 20 0 FEADMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151159248 326676201 /nfs/dbraw/zinc/67/62/01/326676201.db2.gz DDAZGJAFJWJAQU-QMMMGPOBSA-N -1 1 368.768 2.317 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c1 ZINC000151541183 326685006 /nfs/dbraw/zinc/68/50/06/326685006.db2.gz JPFHKFHSNXGEDS-UHFFFAOYSA-N -1 1 366.420 2.197 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)c1 ZINC000153560901 326735943 /nfs/dbraw/zinc/73/59/43/326735943.db2.gz NXZXSQQSPYISLU-GFCCVEGCSA-N -1 1 356.425 2.261 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000154906654 326772136 /nfs/dbraw/zinc/77/21/36/326772136.db2.gz LHAKTDDWGHDODO-OAHLLOKOSA-N -1 1 360.458 2.258 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000155155256 326779537 /nfs/dbraw/zinc/77/95/37/326779537.db2.gz MFHOSXXUSHNEJK-KGLIPLIRSA-N -1 1 356.216 2.175 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)co1 ZINC000156673659 326840069 /nfs/dbraw/zinc/84/00/69/326840069.db2.gz VUWJLNDIJKTWTQ-HNAYVOBHSA-N -1 1 374.462 2.212 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1F ZINC000157453340 326865937 /nfs/dbraw/zinc/86/59/37/326865937.db2.gz NPBHKKXTEHXMOA-LLVKDONJSA-N -1 1 357.357 2.056 20 0 FEADMM O=C(Cc1csc2ccc(Cl)cc12)NCCCc1nc(=O)[n-][nH]1 ZINC000162341727 327023049 /nfs/dbraw/zinc/02/30/49/327023049.db2.gz HJCQTLNOPNTIJI-UHFFFAOYSA-N -1 1 350.831 2.258 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCc3c(F)cccc3C2)c(=O)[n-]1 ZINC000162456813 327026356 /nfs/dbraw/zinc/02/63/56/327026356.db2.gz UUIKZUALJFAITL-UHFFFAOYSA-N -1 1 361.442 2.457 20 0 FEADMM CS[C@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000162713838 327032864 /nfs/dbraw/zinc/03/28/64/327032864.db2.gz UERJTUGABGNMFN-SSDOTTSWSA-N -1 1 351.209 2.478 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1C ZINC000164792722 327074500 /nfs/dbraw/zinc/07/45/00/327074500.db2.gz DLIWATIAHWHVRU-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(ccc(F)c3C)s2)o1 ZINC000164779423 327074547 /nfs/dbraw/zinc/07/45/47/327074547.db2.gz AGFXGINFUUDUBZ-UHFFFAOYSA-N -1 1 369.399 2.497 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cnn(C)c1 ZINC000173011175 327230184 /nfs/dbraw/zinc/23/01/84/327230184.db2.gz INTADGKASGTRQJ-UHFFFAOYSA-N -1 1 370.434 2.498 20 0 FEADMM O=S(=O)([N-]c1ccccc1CNS(=O)(=O)C1CC1)c1ccccc1 ZINC000173099914 327235339 /nfs/dbraw/zinc/23/53/39/327235339.db2.gz GEMOKLNXQUDFQV-UHFFFAOYSA-N -1 1 366.464 2.069 20 0 FEADMM CN(C)C(=O)c1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000173342541 327250897 /nfs/dbraw/zinc/25/08/97/327250897.db2.gz NLILNAMJDGIMBT-UHFFFAOYSA-N -1 1 368.405 2.188 20 0 FEADMM Cc1csc([C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C2CC2)n1 ZINC000173379083 327252786 /nfs/dbraw/zinc/25/27/86/327252786.db2.gz YERNNOXSBHOXLH-KRWDZBQOSA-N -1 1 371.466 2.214 20 0 FEADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000174022092 327302098 /nfs/dbraw/zinc/30/20/98/327302098.db2.gz QONHEWFTHWLREL-AWEZNQCLSA-N -1 1 350.440 2.281 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)ccc1F ZINC000174264291 327316093 /nfs/dbraw/zinc/31/60/93/327316093.db2.gz NLSGOSZLWJAXKI-HSZRJFAPSA-N -1 1 370.427 2.322 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@](C)(O)CCC(C)C ZINC000174480208 327329691 /nfs/dbraw/zinc/32/96/91/327329691.db2.gz JWKWZTVOJLVPRK-IBGZPJMESA-N -1 1 362.474 2.288 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)CCc2cccn2C)c(=O)[n-]1 ZINC000174594276 327336994 /nfs/dbraw/zinc/33/69/94/327336994.db2.gz KPWFPZWHHSNTBJ-LBPRGKRZSA-N -1 1 362.499 2.209 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000174675950 327343041 /nfs/dbraw/zinc/34/30/41/327343041.db2.gz AOKDNLGSMYRJSK-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000175206216 327379722 /nfs/dbraw/zinc/37/97/22/327379722.db2.gz CIXLPXAFIYMZBK-MRXNPFEDSA-N -1 1 372.396 2.370 20 0 FEADMM CO[C@]1(C)C[C@@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000175213400 327380234 /nfs/dbraw/zinc/38/02/34/327380234.db2.gz CFPSFFQJFDEJES-FZKQIMNGSA-N -1 1 367.515 2.395 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000175645171 327404383 /nfs/dbraw/zinc/40/43/83/327404383.db2.gz WXXMQGVQHCLKEP-QKESZYPNSA-N -1 1 369.430 2.462 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Br)o1 ZINC000177627233 327534066 /nfs/dbraw/zinc/53/40/66/327534066.db2.gz ZSEXWHVUOIPSQS-QMMMGPOBSA-N -1 1 364.217 2.216 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)co1 ZINC000178867345 327612483 /nfs/dbraw/zinc/61/24/83/327612483.db2.gz JCMWFIYQJIIKBP-QGZVFWFLSA-N -1 1 371.418 2.102 20 0 FEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)no1 ZINC000264206792 329000065 /nfs/dbraw/zinc/00/00/65/329000065.db2.gz RDJJDYKUXYWUGP-UHFFFAOYSA-N -1 1 373.818 2.016 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(C[C@@H]2CCCO2)no1 ZINC000264576021 329037134 /nfs/dbraw/zinc/03/71/34/329037134.db2.gz FHZOEDYWGNZBLU-ZDUSSCGKSA-N -1 1 353.382 2.248 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(F)ccc2OC)o1 ZINC000264587927 329038040 /nfs/dbraw/zinc/03/80/40/329038040.db2.gz LBOIODOUTMBALF-SECBINFHSA-N -1 1 357.359 2.253 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000265186256 329100282 /nfs/dbraw/zinc/10/02/82/329100282.db2.gz NVMKVTLOAYNXAN-UWVGGRQHSA-N -1 1 364.389 2.029 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(COC(C)C)cc1 ZINC000265239554 329105862 /nfs/dbraw/zinc/10/58/62/329105862.db2.gz RAMKFXRHQAQZFT-UHFFFAOYSA-N -1 1 368.437 2.494 20 0 FEADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1Cl ZINC000265914659 329172448 /nfs/dbraw/zinc/17/24/48/329172448.db2.gz OJAZKOCLYMLSON-GFCCVEGCSA-N -1 1 360.863 2.353 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2OC)cc1[N-]S(C)(=O)=O ZINC000266778454 329259070 /nfs/dbraw/zinc/25/90/70/329259070.db2.gz LAITYIUSXISEQS-TZMCWYRMSA-N -1 1 371.459 2.146 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000266967723 329277962 /nfs/dbraw/zinc/27/79/62/329277962.db2.gz KKMWPKNDBLLYRY-UHFFFAOYSA-N -1 1 360.439 2.326 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000266979481 329279324 /nfs/dbraw/zinc/27/93/24/329279324.db2.gz PEMKAEGIWXPRRV-ZDUSSCGKSA-N -1 1 358.467 2.469 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCOC1CCOCC1 ZINC000267051730 329286839 /nfs/dbraw/zinc/28/68/39/329286839.db2.gz GEZMRSFBIGDEFK-UHFFFAOYSA-N -1 1 351.447 2.104 20 0 FEADMM CCNc1ncc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)s1 ZINC000267097322 329291683 /nfs/dbraw/zinc/29/16/83/329291683.db2.gz WRNZQSAUJGBJBG-UHFFFAOYSA-N -1 1 370.456 2.207 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@](C)(O)c1ccc(F)cc1F ZINC000267179330 329299962 /nfs/dbraw/zinc/29/99/62/329299962.db2.gz WGXFQKWRSYICFS-INIZCTEOSA-N -1 1 369.393 2.128 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@H]2CCOC2)c1 ZINC000267628046 329344559 /nfs/dbraw/zinc/34/45/59/329344559.db2.gz WAFUAUYCNHMPAN-ZDUSSCGKSA-N -1 1 370.471 2.178 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000268590861 329437364 /nfs/dbraw/zinc/43/73/64/329437364.db2.gz HGBFIPHWGRKMDZ-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000270393918 329597099 /nfs/dbraw/zinc/59/70/99/329597099.db2.gz YIARITKIRFZHQT-LSDHHAIUSA-N -1 1 373.453 2.003 20 0 FEADMM O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)[N-]OC1CCCC1 ZINC000271855608 329731076 /nfs/dbraw/zinc/73/10/76/329731076.db2.gz XUIGUXQIUZQQAV-UHFFFAOYSA-N -1 1 372.512 2.456 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COC2(CCCC2)O1)c1c(Cl)ccnc1Cl ZINC000272097444 329751831 /nfs/dbraw/zinc/75/18/31/329751831.db2.gz FVVIRDSWMPPXQJ-SECBINFHSA-N -1 1 367.254 2.352 20 0 FEADMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000272104588 329752595 /nfs/dbraw/zinc/75/25/95/329752595.db2.gz MVFDUDKHELUNHC-QHCPKHFHSA-N -1 1 367.448 2.403 20 0 FEADMM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000272144662 329755683 /nfs/dbraw/zinc/75/56/83/329755683.db2.gz KUJZVTJOBSBFGV-UHFFFAOYSA-N -1 1 359.249 2.497 20 0 FEADMM CC[C@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000272590272 329794522 /nfs/dbraw/zinc/79/45/22/329794522.db2.gz MRINNEYXFLTEBS-STQMWFEESA-N -1 1 370.471 2.034 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(CC2CCC2)[C@@H](C)CO)c(=O)[n-]1 ZINC000275175145 330018522 /nfs/dbraw/zinc/01/85/22/330018522.db2.gz BGXPAVCOMYCHLJ-NSHDSACASA-N -1 1 353.488 2.155 20 0 FEADMM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C2 ZINC000361405830 330202507 /nfs/dbraw/zinc/20/25/07/330202507.db2.gz PTUKLZLRXFRZJR-SNVBAGLBSA-N -1 1 357.357 2.038 20 0 FEADMM COCCCOC1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000554876804 674339555 /nfs/dbraw/zinc/33/95/55/674339555.db2.gz SOPNQFQTTIOSBX-UHFFFAOYSA-N -1 1 350.802 2.471 20 0 FEADMM COc1cc(NC(=O)N(C)[C@@H]2CCSC2)ccc1[N-]S(C)(=O)=O ZINC000555668232 674371778 /nfs/dbraw/zinc/37/17/78/674371778.db2.gz RGUCYVPWTUADJD-LLVKDONJSA-N -1 1 359.473 2.036 20 0 FEADMM CCCc1cc(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)n[nH]1 ZINC000494756767 538586262 /nfs/dbraw/zinc/58/62/62/538586262.db2.gz JBQMPWVBFRBEQN-UHFFFAOYSA-N -1 1 367.431 2.386 20 0 FEADMM Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C2 ZINC000156478612 545629801 /nfs/dbraw/zinc/62/98/01/545629801.db2.gz BWNAUDSHVIWFGY-LLVKDONJSA-N -1 1 350.216 2.404 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000477380678 561143542 /nfs/dbraw/zinc/14/35/42/561143542.db2.gz LDBITSKPYRMXLA-UHFFFAOYSA-N -1 1 362.773 2.004 20 0 FEADMM COCCC1(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCC1 ZINC000477770499 561152935 /nfs/dbraw/zinc/15/29/35/561152935.db2.gz SCQATAVDJCDJKQ-UHFFFAOYSA-N -1 1 356.426 2.171 20 0 FEADMM Cc1ccncc1CN(C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000477932530 561156609 /nfs/dbraw/zinc/15/66/09/561156609.db2.gz RHROKACLLQNAAN-UHFFFAOYSA-N -1 1 353.426 2.346 20 0 FEADMM CCOc1ccccc1[C@@H](CC(=O)Nc1nc(SC)n[nH]1)NC(C)=O ZINC000478090725 561159773 /nfs/dbraw/zinc/15/97/73/561159773.db2.gz ZNHGZPJVCUZVIE-GFCCVEGCSA-N -1 1 363.443 2.131 20 0 FEADMM Cc1nc(COc2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2)no1 ZINC000158658121 545882338 /nfs/dbraw/zinc/88/23/38/545882338.db2.gz ASUDAENNZCEDLJ-UHFFFAOYSA-N -1 1 368.275 2.346 20 0 FEADMM Cc1cccc(CCNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000158928639 545906088 /nfs/dbraw/zinc/90/60/88/545906088.db2.gz ZYFUZCZCMPDWCW-UHFFFAOYSA-N -1 1 362.433 2.350 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CO)CCC(C)(C)C ZINC000478584230 561170249 /nfs/dbraw/zinc/17/02/49/561170249.db2.gz JYCGZINCNKBPIS-CQSZACIVSA-N -1 1 362.474 2.288 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C)c1 ZINC000478686711 561172715 /nfs/dbraw/zinc/17/27/15/561172715.db2.gz KMUGRIBUYXKSOY-UHFFFAOYSA-N -1 1 366.414 2.368 20 0 FEADMM COC[C@@](C)([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)C(F)(F)F ZINC000479152986 561183045 /nfs/dbraw/zinc/18/30/45/561183045.db2.gz RZGOGTYJYGJMQA-CYBMUJFWSA-N -1 1 371.425 2.402 20 0 FEADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000170664199 546169088 /nfs/dbraw/zinc/16/90/88/546169088.db2.gz BYIUZTUYTSKEGD-UHFFFAOYSA-N -1 1 362.407 2.469 20 0 FEADMM Cc1ccccc1C[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000171460040 546210036 /nfs/dbraw/zinc/21/00/36/546210036.db2.gz VJKOGIVMQCRUSZ-CYBMUJFWSA-N -1 1 352.438 2.238 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000171639123 546217092 /nfs/dbraw/zinc/21/70/92/546217092.db2.gz LBKMGJIGWJVRHA-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000175966159 546381238 /nfs/dbraw/zinc/38/12/38/546381238.db2.gz GIWFBUGVHCHPAD-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM CC[C@@](C)(O)CNC(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000176492956 546453417 /nfs/dbraw/zinc/45/34/17/546453417.db2.gz CDIGFKCLHDQGHF-QGZVFWFLSA-N -1 1 364.471 2.284 20 0 FEADMM CCS[C@H]1CCC[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000176756235 546484151 /nfs/dbraw/zinc/48/41/51/546484151.db2.gz VGBKCMNTJVFAMK-KBPBESRZSA-N -1 1 362.499 2.362 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(I)c1)c1nn[n-]n1 ZINC000176769401 546485800 /nfs/dbraw/zinc/48/58/00/546485800.db2.gz LQSACSAIOTXMCD-JTQLQIEISA-N -1 1 371.182 2.076 20 0 FEADMM CCC[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1nn[n-]n1 ZINC000176779847 546487143 /nfs/dbraw/zinc/48/71/43/546487143.db2.gz IALSJGRSYPACBQ-AWEZNQCLSA-N -1 1 359.821 2.369 20 0 FEADMM CCC[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1nn[n-]n1 ZINC000176791497 546488779 /nfs/dbraw/zinc/48/87/79/546488779.db2.gz LGUQKKKTQQTGSE-CYBMUJFWSA-N -1 1 355.402 2.230 20 0 FEADMM CCCCO[C@@H]1C[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(C)C ZINC000176879443 546500406 /nfs/dbraw/zinc/50/04/06/546500406.db2.gz MBXPTQWBFFGEHV-HZPDHXFCSA-N -1 1 374.485 2.282 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)CC2 ZINC000178144325 546746198 /nfs/dbraw/zinc/74/61/98/546746198.db2.gz UOYJIPZNMPJVDD-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2O)cc1 ZINC000481588427 561236910 /nfs/dbraw/zinc/23/69/10/561236910.db2.gz UUUGOAKAVGKLDM-UHFFFAOYSA-N -1 1 367.354 2.380 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)C12CCCC2 ZINC000179514028 546969447 /nfs/dbraw/zinc/96/94/47/546969447.db2.gz VSNMYDZKZDOMAX-CABCVRRESA-N -1 1 358.442 2.484 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000482200985 561250114 /nfs/dbraw/zinc/25/01/14/561250114.db2.gz VVXDWCRAEZTVPZ-VHSXEESVSA-N -1 1 368.377 2.286 20 0 FEADMM CN(Cc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ncccc1[O-] ZINC000482384477 561253302 /nfs/dbraw/zinc/25/33/02/561253302.db2.gz KNHWKLVBHBYGKU-UHFFFAOYSA-N -1 1 368.220 2.482 20 0 FEADMM O=C([O-])[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000180345720 547088014 /nfs/dbraw/zinc/08/80/14/547088014.db2.gz LNQRRUIGSPUTMV-CABCVRRESA-N -1 1 350.378 2.288 20 0 FEADMM O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000180345735 547088571 /nfs/dbraw/zinc/08/85/71/547088571.db2.gz LNQRRUIGSPUTMV-GJZGRUSLSA-N -1 1 350.378 2.288 20 0 FEADMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180531129 547125330 /nfs/dbraw/zinc/12/53/30/547125330.db2.gz DETJCNQBXBNEFH-SECBINFHSA-N -1 1 370.249 2.304 20 0 FEADMM COCCN(C[C@@H]1CC=CCC1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000483033878 561265386 /nfs/dbraw/zinc/26/53/86/561265386.db2.gz WPDZEZWYMLXTKH-MRXNPFEDSA-N -1 1 372.469 2.426 20 0 FEADMM C[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1c(F)cccc1F ZINC000181031885 547235371 /nfs/dbraw/zinc/23/53/71/547235371.db2.gz PMCUHSSOMKYHET-MRVPVSSYSA-N -1 1 356.350 2.060 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COCc1ccccc1 ZINC000181080300 547245170 /nfs/dbraw/zinc/24/51/70/547245170.db2.gz ZFBJTKJXPKUNST-UHFFFAOYSA-N -1 1 352.387 2.353 20 0 FEADMM COc1ccc([C@H]2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)cc1 ZINC000181893329 547399380 /nfs/dbraw/zinc/39/93/80/547399380.db2.gz HIEJLZQAXUDEAA-ZDUSSCGKSA-N -1 1 352.394 2.312 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccn1C1CCCC1 ZINC000181902113 547401633 /nfs/dbraw/zinc/40/16/33/547401633.db2.gz QBBQFXWBAQYZTG-UHFFFAOYSA-N -1 1 353.426 2.486 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccco1 ZINC000182093538 547436305 /nfs/dbraw/zinc/43/63/05/547436305.db2.gz OAIJMVJICBRKLT-SNVBAGLBSA-N -1 1 350.318 2.359 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000182376113 547481937 /nfs/dbraw/zinc/48/19/37/547481937.db2.gz GRBGFSWLOVAGDT-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM COc1ccccc1Nc1ncccc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183411102 547653053 /nfs/dbraw/zinc/65/30/53/547653053.db2.gz BOPKNFSDVJYSCZ-LBPRGKRZSA-N -1 1 367.413 2.223 20 0 FEADMM C[C@@H](CN(C)C(=O)C=Cc1cc(Br)ccc1F)c1nn[n-]n1 ZINC000183417085 547654338 /nfs/dbraw/zinc/65/43/38/547654338.db2.gz VQRAEBNYQMPFOH-SWTNXBIASA-N -1 1 368.210 2.377 20 0 FEADMM CSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183450219 547661707 /nfs/dbraw/zinc/66/17/07/547661707.db2.gz CLIPAVJQXBLPAB-VIFPVBQESA-N -1 1 373.442 2.156 20 0 FEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000484661446 561302828 /nfs/dbraw/zinc/30/28/28/561302828.db2.gz CLUWNKODHTVFIN-UHFFFAOYSA-N -1 1 364.358 2.075 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000485175443 561314240 /nfs/dbraw/zinc/31/42/40/561314240.db2.gz SYBFNSHLWSLPNP-UHFFFAOYSA-N -1 1 359.411 2.375 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000185105402 547934945 /nfs/dbraw/zinc/93/49/45/547934945.db2.gz HIMGVOGIAUBCDO-JSGCOSHPSA-N -1 1 366.483 2.412 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185105924 547935189 /nfs/dbraw/zinc/93/51/89/547935189.db2.gz XBUIYPLILMZEGT-SKDRFNHKSA-N -1 1 372.874 2.250 20 0 FEADMM Cc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1C ZINC000485943698 561333120 /nfs/dbraw/zinc/33/31/20/561333120.db2.gz IENAIMQRJZUDKI-INIZCTEOSA-N -1 1 353.422 2.498 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000186995500 548237216 /nfs/dbraw/zinc/23/72/16/548237216.db2.gz KYOZBMHMGDUIOB-UHFFFAOYSA-N -1 1 366.425 2.268 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000486516535 561349649 /nfs/dbraw/zinc/34/96/49/561349649.db2.gz KARQKJASGPGUJK-UHFFFAOYSA-N -1 1 350.352 2.351 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2nnc([C@H](C)CC)[nH]2)o1 ZINC000486605917 561352147 /nfs/dbraw/zinc/35/21/47/561352147.db2.gz POWLIWQHSPUQNF-ZJUUUORDSA-N -1 1 370.431 2.127 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(-c2ccccc2)ns1 ZINC000486777864 561356245 /nfs/dbraw/zinc/35/62/45/561356245.db2.gz ZOYMRHZDHLNQBT-UHFFFAOYSA-N -1 1 354.391 2.279 20 0 FEADMM C[C@H]1C[C@@H]1c1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)n[nH]1 ZINC000194551002 548497551 /nfs/dbraw/zinc/49/75/51/548497551.db2.gz XRBHWDYCAOXNJA-JQWIXIFHSA-N -1 1 365.393 2.155 20 0 FEADMM O=C(NCC1CCOCC1)c1cc(I)ccc1[O-] ZINC000195035297 548567202 /nfs/dbraw/zinc/56/72/02/548567202.db2.gz UXZNNFGYTGYRGA-UHFFFAOYSA-N -1 1 361.179 2.153 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)N2CCCc3cc(OC)ccc32)n1 ZINC000195058590 548571162 /nfs/dbraw/zinc/57/11/62/548571162.db2.gz TUAJLCZXGVPKCC-UHFFFAOYSA-N -1 1 359.451 2.412 20 0 FEADMM CCc1noc([C@H](C)S(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)n1 ZINC000195129155 548582530 /nfs/dbraw/zinc/58/25/30/548582530.db2.gz WGQOWSRZOTVVHY-QMMMGPOBSA-N -1 1 351.363 2.091 20 0 FEADMM CCc1noc([C@H](C)S(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)n1 ZINC000195129155 548582535 /nfs/dbraw/zinc/58/25/35/548582535.db2.gz WGQOWSRZOTVVHY-QMMMGPOBSA-N -1 1 351.363 2.091 20 0 FEADMM CC(C)[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195457404 548643820 /nfs/dbraw/zinc/64/38/20/548643820.db2.gz HZBFMJQHUHWHMB-CQSZACIVSA-N -1 1 367.437 2.129 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1NC(N)=O ZINC000487378787 561368650 /nfs/dbraw/zinc/36/86/50/561368650.db2.gz QYNSGKORPWKTFA-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM COC[C@@H](NC(=O)c1cc(I)ccc1[O-])C(C)C ZINC000234723828 548764593 /nfs/dbraw/zinc/76/45/93/548764593.db2.gz APGURVGMWMLZFV-LLVKDONJSA-N -1 1 363.195 2.398 20 0 FEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487774112 561375582 /nfs/dbraw/zinc/37/55/82/561375582.db2.gz QVAQTDHWLONDSS-IUODEOHRSA-N -1 1 357.385 2.266 20 0 FEADMM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488764881 561396468 /nfs/dbraw/zinc/39/64/68/561396468.db2.gz VBSWCYPMNMNIGP-SSDOTTSWSA-N -1 1 358.204 2.431 20 0 FEADMM O=C(NCCCN1CCCCC1=O)c1ccc(Br)c([O-])c1 ZINC000488948651 561400154 /nfs/dbraw/zinc/40/01/54/561400154.db2.gz 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Cc1cc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000263089562 549877167 /nfs/dbraw/zinc/87/71/67/549877167.db2.gz HQVNXZKBVQXPJG-IBGZPJMESA-N -1 1 356.426 2.224 20 0 FEADMM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000263153949 549881706 /nfs/dbraw/zinc/88/17/06/549881706.db2.gz UYDMXHLXNTXPFS-QWRGUYRKSA-N -1 1 363.801 2.434 20 0 FEADMM CC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(C)(C)c1ccccc1 ZINC000490569579 561435376 /nfs/dbraw/zinc/43/53/76/561435376.db2.gz XXVYGVKGOPSPRQ-INIZCTEOSA-N -1 1 355.438 2.390 20 0 FEADMM CCOc1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1OCC ZINC000263332838 549895490 /nfs/dbraw/zinc/89/54/90/549895490.db2.gz LWPBJWFVEDIAOU-ZIAGYGMSSA-N -1 1 364.442 2.465 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCOCC2)c1 ZINC000263858615 549946194 /nfs/dbraw/zinc/94/61/94/549946194.db2.gz REFFKKGGMOLPJO-UHFFFAOYSA-N -1 1 360.435 2.268 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2OC)n[nH]1 ZINC000268339818 550052252 /nfs/dbraw/zinc/05/22/52/550052252.db2.gz AFPMUBGDUXWUOI-UHFFFAOYSA-N -1 1 367.427 2.348 20 0 FEADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)[nH]n1 ZINC000268424059 550063541 /nfs/dbraw/zinc/06/35/41/550063541.db2.gz RAMURDJYTJGCAV-UHFFFAOYSA-N -1 1 350.400 2.291 20 0 FEADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccon3)n2)cc1 ZINC000268488877 550074903 /nfs/dbraw/zinc/07/49/03/550074903.db2.gz LKCCMLKPUPPUQX-NSHDSACASA-N -1 1 362.411 2.468 20 0 FEADMM COCCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268590451 550090543 /nfs/dbraw/zinc/09/05/43/550090543.db2.gz BNGAACYPHAJCGV-UHFFFAOYSA-N -1 1 350.293 2.269 20 0 FEADMM CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)c1 ZINC000492963669 561453660 /nfs/dbraw/zinc/45/36/60/561453660.db2.gz SYFMFGBCMDXUEM-UHFFFAOYSA-N -1 1 357.439 2.349 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1ccc(F)cc1[O-] ZINC000270375922 550266799 /nfs/dbraw/zinc/26/67/99/550266799.db2.gz NGWMAOAODZAUGU-CORIIIEPSA-N -1 1 353.419 2.196 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1CCO ZINC000270530652 550280679 /nfs/dbraw/zinc/28/06/79/550280679.db2.gz UXBVASXRYBKHOP-INIZCTEOSA-N -1 1 370.453 2.249 20 0 FEADMM COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000270580096 550285714 /nfs/dbraw/zinc/28/57/14/550285714.db2.gz FMXSSYHZEXQSDX-INIZCTEOSA-N -1 1 356.422 2.414 20 0 FEADMM COc1cc(Br)cc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000270833652 550312062 /nfs/dbraw/zinc/31/20/62/550312062.db2.gz UPCHPIRHNDFEPA-NSHDSACASA-N -1 1 350.234 2.378 20 0 FEADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cn1C ZINC000270845872 550313348 /nfs/dbraw/zinc/31/33/48/550313348.db2.gz XOSLTBQSFNYKML-UHFFFAOYSA-N -1 1 368.434 2.145 20 0 FEADMM CC(C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000271190956 550350720 /nfs/dbraw/zinc/35/07/20/550350720.db2.gz FYOBHDYVWTVAMI-UHFFFAOYSA-N -1 1 369.624 2.224 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCO[C@H](C(C)C)C2)c(=O)[n-]1 ZINC000271334466 550365998 /nfs/dbraw/zinc/36/59/98/550365998.db2.gz GBRIPWCMIZCKAT-JSGCOSHPSA-N -1 1 353.488 2.465 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CO)c1)OCC(F)(F)F ZINC000271450783 550376485 /nfs/dbraw/zinc/37/64/85/550376485.db2.gz RENQFCZXMBSLPC-SNVBAGLBSA-N -1 1 362.304 2.100 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000272023788 550416539 /nfs/dbraw/zinc/41/65/39/550416539.db2.gz CPMPCFVHLCWZIT-XJKSGUPXSA-N -1 1 356.426 2.169 20 0 FEADMM NC(=O)CCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000494312681 561466994 /nfs/dbraw/zinc/46/69/94/561466994.db2.gz NZTGUULQXRYZNW-UHFFFAOYSA-N -1 1 361.423 2.082 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000273800899 550511936 /nfs/dbraw/zinc/51/19/36/550511936.db2.gz SPRHSDQPCOQISF-OTYXRUKQSA-N -1 1 372.874 2.108 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(CC(=O)OC(C)(C)C)no1 ZINC000274253492 550529700 /nfs/dbraw/zinc/52/97/00/550529700.db2.gz WRDDDQMLTQZXDS-SECBINFHSA-N -1 1 373.456 2.055 20 0 FEADMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1ccc2c(c1)OCCCO2 ZINC000274249708 550529838 /nfs/dbraw/zinc/52/98/38/550529838.db2.gz YHYKJYFJWGDVHV-UHFFFAOYSA-N -1 1 350.400 2.034 20 0 FEADMM CC(C)(O)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000274787606 550554586 /nfs/dbraw/zinc/55/45/86/550554586.db2.gz PDOSDXBLWGVIML-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM CCOC(=O)c1ccsc1NC(=O)CSc1nc(C(=O)OC)c[n-]1 ZINC000274898404 550563192 /nfs/dbraw/zinc/56/31/92/550563192.db2.gz HOEOYILMRQKEGW-UHFFFAOYSA-N -1 1 369.424 2.165 20 0 FEADMM Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1C ZINC000274943556 550566457 /nfs/dbraw/zinc/56/64/57/550566457.db2.gz GPKSYUPMYQNLNP-INIZCTEOSA-N -1 1 368.499 2.138 20 0 FEADMM CC[C@H](C[C@@H](C)CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000494673073 561473943 /nfs/dbraw/zinc/47/39/43/561473943.db2.gz OTWFSPSAHATCHC-IUODEOHRSA-N -1 1 358.442 2.008 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n1 ZINC000277564526 550685004 /nfs/dbraw/zinc/68/50/04/550685004.db2.gz ASBPNLXWHRZELV-UHFFFAOYSA-N -1 1 367.409 2.483 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(C)c3F)CC2)n1 ZINC000277587199 550687983 /nfs/dbraw/zinc/68/79/83/550687983.db2.gz CUQQEVYFIPZEQV-UHFFFAOYSA-N -1 1 360.389 2.449 20 0 FEADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)n[nH]1 ZINC000277711698 550705170 /nfs/dbraw/zinc/70/51/70/550705170.db2.gz FEOXPKKQMJIZDS-GHMZBOCLSA-N -1 1 365.459 2.181 20 0 FEADMM COc1ccc(F)cc1CN1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000494911727 561479077 /nfs/dbraw/zinc/47/90/77/561479077.db2.gz VGYIAXBATQRTOU-UHFFFAOYSA-N -1 1 359.401 2.201 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000278570154 550799991 /nfs/dbraw/zinc/79/99/91/550799991.db2.gz DLLSVBBJODHFNK-ZDUSSCGKSA-N -1 1 374.466 2.026 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000278570154 550799992 /nfs/dbraw/zinc/79/99/92/550799992.db2.gz DLLSVBBJODHFNK-ZDUSSCGKSA-N -1 1 374.466 2.026 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CO)C(C)(C)C ZINC000278821984 550825496 /nfs/dbraw/zinc/82/54/96/550825496.db2.gz PTKQNODGOBMBIR-HNNXBMFYSA-N -1 1 358.442 2.008 20 0 FEADMM CC(C)(C)C(=O)NC1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000278994947 550844480 /nfs/dbraw/zinc/84/44/80/550844480.db2.gz KWWFKISVOLFADC-UHFFFAOYSA-N -1 1 361.368 2.483 20 0 FEADMM C[C@H](O)CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000279040755 550849944 /nfs/dbraw/zinc/84/99/44/550849944.db2.gz CPYTXUHVFPECMD-AWEZNQCLSA-N -1 1 362.451 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)co1 ZINC000280143756 550964941 /nfs/dbraw/zinc/96/49/41/550964941.db2.gz UAPFCNRHXBBIES-AWEZNQCLSA-N -1 1 362.451 2.434 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280767108 551030174 /nfs/dbraw/zinc/03/01/74/551030174.db2.gz VEXVSMJULRUJCI-HDJSIYSDSA-N -1 1 368.412 2.383 20 0 FEADMM O=C(NCc1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc([O-])cc1 ZINC000281050942 551058292 /nfs/dbraw/zinc/05/82/92/551058292.db2.gz XNAXCHJECXXERA-UHFFFAOYSA-N -1 1 352.390 2.014 20 0 FEADMM CCC(CC)c1nnc([N-]C(=O)c2cc(S(N)(=O)=O)ccc2F)s1 ZINC000281091512 551062543 /nfs/dbraw/zinc/06/25/43/551062543.db2.gz GXHQNSMIIIFZRY-UHFFFAOYSA-N -1 1 372.447 2.481 20 0 FEADMM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1noc(C(F)(F)F)n1 ZINC000281246682 551077573 /nfs/dbraw/zinc/07/75/73/551077573.db2.gz UHWYIGPSELUAOX-UHFFFAOYSA-N -1 1 355.725 2.361 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2[nH]ccc2C)c1 ZINC000281393747 551091722 /nfs/dbraw/zinc/09/17/22/551091722.db2.gz VPDDUYVENDJWHN-UHFFFAOYSA-N -1 1 351.428 2.312 20 0 FEADMM O=C([N-]CC1CCN(Cc2ncnn2-c2ccccc2)CC1)C(F)(F)F ZINC000281439092 551097710 /nfs/dbraw/zinc/09/77/10/551097710.db2.gz SZZCOSRDBFGIKD-UHFFFAOYSA-N -1 1 367.375 2.158 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)N1CCCC1 ZINC000281487854 551103781 /nfs/dbraw/zinc/10/37/81/551103781.db2.gz KDQFLDWAMWJBQF-QMMMGPOBSA-N -1 1 369.245 2.422 20 0 FEADMM Cc1cc([C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C2CC2)ccc1F ZINC000497403727 561500208 /nfs/dbraw/zinc/50/02/08/561500208.db2.gz LDHCILZARPSKKM-KRWDZBQOSA-N -1 1 357.385 2.232 20 0 FEADMM C[C@]1(C(=O)[N-]OCc2ccc(F)cc2Br)CCC(=O)NC1 ZINC000282405176 551224240 /nfs/dbraw/zinc/22/42/40/551224240.db2.gz QNYAEIMXCKVTQB-AWEZNQCLSA-N -1 1 359.195 2.052 20 0 FEADMM COCC1(O)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000282664865 551257301 /nfs/dbraw/zinc/25/73/01/551257301.db2.gz OGIUFNNNVIPFET-UHFFFAOYSA-N -1 1 350.802 2.207 20 0 FEADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCS1(=O)=O ZINC000282733843 551264905 /nfs/dbraw/zinc/26/49/05/551264905.db2.gz CRYNJJYDCCQOSC-JTQLQIEISA-N -1 1 368.842 2.243 20 0 FEADMM O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283020462 551298469 /nfs/dbraw/zinc/29/84/69/551298469.db2.gz XLKRQVRNIVSZQL-NSHDSACASA-N -1 1 354.332 2.066 20 0 FEADMM O=C(c1cccn1Cc1cccs1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283035458 551301184 /nfs/dbraw/zinc/30/11/84/551301184.db2.gz YXOJPONATRNUMW-LBPRGKRZSA-N -1 1 357.439 2.029 20 0 FEADMM CCOc1c(Cl)cccc1CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283764873 551423787 /nfs/dbraw/zinc/42/37/87/551423787.db2.gz SDAFKRRTXRRWMR-LBPRGKRZSA-N -1 1 364.833 2.099 20 0 FEADMM O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283771596 551425346 /nfs/dbraw/zinc/42/53/46/551425346.db2.gz SZAVUMDWRXVMAR-SNVBAGLBSA-N -1 1 372.816 2.161 20 0 FEADMM CCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000498467713 561525002 /nfs/dbraw/zinc/52/50/02/561525002.db2.gz SHXVGOKNOCDWRB-UHFFFAOYSA-N -1 1 352.403 2.474 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1c(C)cc(C(=O)OC)cc1Cl ZINC000285171424 551714875 /nfs/dbraw/zinc/71/48/75/551714875.db2.gz TYROUZFPHQYDFL-UHFFFAOYSA-N -1 1 357.819 2.452 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000285353069 551742511 /nfs/dbraw/zinc/74/25/11/551742511.db2.gz HJFXKGWKYASICB-UHFFFAOYSA-N -1 1 368.499 2.498 20 0 FEADMM Cc1nc2sc3c(c2c(N2CCC[C@H](c4nc(=O)[n-][nH]4)C2)n1)CCC3 ZINC000285617795 551783674 /nfs/dbraw/zinc/78/36/74/551783674.db2.gz MPMXELHJAVQTDT-JTQLQIEISA-N -1 1 356.455 2.284 20 0 FEADMM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)NCCCc1nc[nH]n1 ZINC000498959144 561539501 /nfs/dbraw/zinc/53/95/01/561539501.db2.gz XIRVMVNHSAXNML-UHFFFAOYSA-N -1 1 363.834 2.153 20 0 FEADMM C[N@H+]1CCN(C(=O)c2ccc3n[nH]c(=S)n3c2)C[C@H]1Cc1ccccc1 ZINC000285860878 551820051 /nfs/dbraw/zinc/82/00/51/551820051.db2.gz YWVQSYUZPQUAIN-MRXNPFEDSA-N -1 1 367.478 2.017 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)N2CCOCC2)cc1 ZINC000286969249 551945823 /nfs/dbraw/zinc/94/58/23/551945823.db2.gz BFLKACGMRPIFSO-LJQANCHMSA-N -1 1 368.433 2.073 20 0 FEADMM C[C@@H](O)[C@@](C)(CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)Cc1ccccc1 ZINC000287108869 551964521 /nfs/dbraw/zinc/96/45/21/551964521.db2.gz JQWICIFAYGRMGD-MHGHHJRTSA-N -1 1 367.453 2.093 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)nc2C)s1 ZINC000287346253 551992511 /nfs/dbraw/zinc/99/25/11/551992511.db2.gz LOVPEBLUDJBVQY-UHFFFAOYSA-N -1 1 350.878 2.095 20 0 FEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287471853 552008849 /nfs/dbraw/zinc/00/88/49/552008849.db2.gz RILVLNWFZFQBOT-CQSZACIVSA-N -1 1 362.426 2.433 20 0 FEADMM C[C@H]1CN(c2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)C[C@H](C)O1 ZINC000287564268 552019682 /nfs/dbraw/zinc/01/96/82/552019682.db2.gz KKIXCPCFKXIKRH-STQMWFEESA-N -1 1 355.394 2.222 20 0 FEADMM Cc1ccc(N2CCC[C@H](NC(=O)/N=c3/ccnc4n(C)[n-]cc3-4)C2)cc1 ZINC000287609071 552024903 /nfs/dbraw/zinc/02/49/03/552024903.db2.gz MWICIDNHEOSCAN-BHQWEUPHSA-N -1 1 364.453 2.441 20 0 FEADMM COCC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(C)o1 ZINC000287621736 552026451 /nfs/dbraw/zinc/02/64/51/552026451.db2.gz AQZUMTCBRXFNLE-LLVKDONJSA-N -1 1 373.456 2.059 20 0 FEADMM CCCOc1ccc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1OC ZINC000287708711 552036778 /nfs/dbraw/zinc/03/67/78/552036778.db2.gz RXMFEAMCFSTJLW-HAHDFKILSA-N -1 1 369.425 2.461 20 0 FEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287748577 552041680 /nfs/dbraw/zinc/04/16/80/552041680.db2.gz UUGPHEAGNRWSGL-FDTZIHECSA-N -1 1 371.466 2.304 20 0 FEADMM CC[C@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)Oc1ccccc1F ZINC000287805229 552048793 /nfs/dbraw/zinc/04/87/93/552048793.db2.gz YBXXXRSMPKTLEK-AKVJFXEFSA-N -1 1 357.389 2.460 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)co1 ZINC000288302708 552128941 /nfs/dbraw/zinc/12/89/41/552128941.db2.gz JIBLIONQWBLIOU-ZDUSSCGKSA-N -1 1 354.453 2.473 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000288349001 552138169 /nfs/dbraw/zinc/13/81/69/552138169.db2.gz IQICEEZZRKJIJQ-MRVPVSSYSA-N -1 1 351.272 2.065 20 0 FEADMM O=c1nc([C@@H]2CCCN(Cc3coc(-c4c(F)cccc4F)n3)C2)[nH][n-]1 ZINC000289412558 552316712 /nfs/dbraw/zinc/31/67/12/552316712.db2.gz LXQUNLWVZMPUFR-SNVBAGLBSA-N -1 1 361.352 2.411 20 0 FEADMM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1ccc(Cl)cc1Cl ZINC000289422826 552318862 /nfs/dbraw/zinc/31/88/62/552318862.db2.gz MVLIOQYPOPFYKB-VIFPVBQESA-N -1 1 370.240 2.223 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)no1 ZINC000289588049 552345487 /nfs/dbraw/zinc/34/54/87/552345487.db2.gz PMWUBFAVXDPVGK-MRVPVSSYSA-N -1 1 363.798 2.438 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@H](O)C1 ZINC000289658963 552357725 /nfs/dbraw/zinc/35/77/25/552357725.db2.gz XSQRNIREAJJCMN-VIFPVBQESA-N -1 1 351.200 2.300 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289759489 552373990 /nfs/dbraw/zinc/37/39/90/552373990.db2.gz VJCAALAQYHXVGH-NSHDSACASA-N -1 1 370.331 2.059 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000289805126 552381178 /nfs/dbraw/zinc/38/11/78/552381178.db2.gz JSMGTRPMWVPXSR-CYBMUJFWSA-N -1 1 373.452 2.166 20 0 FEADMM Cc1c(/C=C/C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cnn1C ZINC000290241547 552447277 /nfs/dbraw/zinc/44/72/77/552447277.db2.gz SAUMPTKKCBLSPB-NIXKZETHSA-N -1 1 372.391 2.046 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000290885216 552555708 /nfs/dbraw/zinc/55/57/08/552555708.db2.gz ZBYPSEMGKDHBPK-RYUDHWBXSA-N -1 1 357.819 2.027 20 0 FEADMM O=S(=O)([N-][C@H](CO)Cc1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000501186033 561592182 /nfs/dbraw/zinc/59/21/82/561592182.db2.gz KJVBESVJVUFGAG-NSHDSACASA-N -1 1 363.332 2.125 20 0 FEADMM COc1cccc(OC)c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291187660 552597827 /nfs/dbraw/zinc/59/78/27/552597827.db2.gz SZDIDBRPDCIRDG-NSHDSACASA-N -1 1 374.359 2.235 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)ccnc1-2 ZINC000291220345 552601683 /nfs/dbraw/zinc/60/16/83/552601683.db2.gz CCMAUTBWWBDOJM-OTDIFDQJSA-N -1 1 368.416 2.129 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)sc2nccn12 ZINC000291254621 552606856 /nfs/dbraw/zinc/60/68/56/552606856.db2.gz YGZLQLQXLQZBKU-JTQLQIEISA-N -1 1 374.388 2.235 20 0 FEADMM CC(C)c1nnc(/C=C/C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000291508164 552631809 /nfs/dbraw/zinc/63/18/09/552631809.db2.gz WCIJYMYREHCECC-MVIFTORASA-N -1 1 374.363 2.123 20 0 FEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2csc(C(=O)OC)c2)o1 ZINC000291835793 552666661 /nfs/dbraw/zinc/66/66/61/552666661.db2.gz GLVIUTXVODQJGT-UHFFFAOYSA-N -1 1 358.441 2.262 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(C(C)(C)C)n2)c1 ZINC000291838335 552666950 /nfs/dbraw/zinc/66/69/50/552666950.db2.gz COWXUXIIONQRKC-UHFFFAOYSA-N -1 1 369.468 2.307 20 0 FEADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000291858738 552669192 /nfs/dbraw/zinc/66/91/92/552669192.db2.gz FEMYKWBZNZHNNH-BLLLJJGKSA-N -1 1 370.471 2.224 20 0 FEADMM O=C([O-])C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000291935893 552676243 /nfs/dbraw/zinc/67/62/43/552676243.db2.gz CLAJUBUADGDHTI-GOSISDBHSA-N -1 1 353.422 2.159 20 0 FEADMM O=C([O-])C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000291935893 552676245 /nfs/dbraw/zinc/67/62/45/552676245.db2.gz CLAJUBUADGDHTI-GOSISDBHSA-N -1 1 353.422 2.159 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)o1 ZINC000291966083 552679562 /nfs/dbraw/zinc/67/95/62/552679562.db2.gz PYURFHGYQQMMMY-XPTSAGLGSA-N -1 1 371.436 2.109 20 0 FEADMM COCc1ncc(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)s1 ZINC000292201107 552703950 /nfs/dbraw/zinc/70/39/50/552703950.db2.gz KQVYDUHUYRSVJW-UHFFFAOYSA-N -1 1 369.468 2.491 20 0 FEADMM COc1ccc(NC(=O)NCc2occc2C)cc1[N-]S(C)(=O)=O ZINC000292212526 552705233 /nfs/dbraw/zinc/70/52/33/552705233.db2.gz ZCSZSIMKZTWEQN-UHFFFAOYSA-N -1 1 353.400 2.290 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ncsc2C(C)C)c1 ZINC000292362643 552719661 /nfs/dbraw/zinc/71/96/61/552719661.db2.gz XFCXBRVRSDCYJM-UHFFFAOYSA-N -1 1 355.441 2.133 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cc(OC)c(C)c(OC)c2)cc1C(=O)[O-] ZINC000292411052 552724493 /nfs/dbraw/zinc/72/44/93/552724493.db2.gz YQOYBKCJYCSGBU-UHFFFAOYSA-N -1 1 368.411 2.333 20 0 FEADMM C[C@@H]1CCCN(c2cc(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)ccn2)C1 ZINC000292435509 552726480 /nfs/dbraw/zinc/72/64/80/552726480.db2.gz UZCQCZLCYFFAQT-OETDOYICSA-N -1 1 350.426 2.225 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000292478163 552730406 /nfs/dbraw/zinc/73/04/06/552730406.db2.gz DEBPJCVWPVMGDX-QKCSRTOESA-N -1 1 356.344 2.048 20 0 FEADMM Cn1ncc2c1ncnc2N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294336629 552897934 /nfs/dbraw/zinc/89/79/34/552897934.db2.gz AGWYGWFIONAXJK-UHFFFAOYSA-N -1 1 358.833 2.045 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCO[C@@H](C(C)C)C1 ZINC000294392118 552902350 /nfs/dbraw/zinc/90/23/50/552902350.db2.gz MARSCUSGVKRNOJ-QGZVFWFLSA-N -1 1 370.453 2.369 20 0 FEADMM O=C(N1CCC(Cc2ccccc2)CC1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000294433266 552905915 /nfs/dbraw/zinc/90/59/15/552905915.db2.gz FBWCVVRKTKWJGS-UHFFFAOYSA-N -1 1 369.469 2.352 20 0 FEADMM CCc1nc(C(C)C)ccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000294723125 552929336 /nfs/dbraw/zinc/92/93/36/552929336.db2.gz XGDWXSNHJASIBO-UHFFFAOYSA-N -1 1 363.439 2.373 20 0 FEADMM 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2.471 20 0 FEADMM COc1cc(-c2noc([C@H]3COCCN3C)n2)cc(Br)c1[O-] ZINC000350600957 554801095 /nfs/dbraw/zinc/80/10/95/554801095.db2.gz DSZJKROYYWRIND-SNVBAGLBSA-N -1 1 370.203 2.216 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCC(=O)N4)cc21 ZINC000360236194 554868176 /nfs/dbraw/zinc/86/81/76/554868176.db2.gz BZCIMQXZJNYMAH-UHFFFAOYSA-N -1 1 372.402 2.433 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000363245221 555062051 /nfs/dbraw/zinc/06/20/51/555062051.db2.gz USVBZLPDLYXUQN-JTQLQIEISA-N -1 1 359.352 2.333 20 0 FEADMM CC[C@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000363365714 555087107 /nfs/dbraw/zinc/08/71/07/555087107.db2.gz QKSDGIPVJBMBTA-QWHCGFSZSA-N -1 1 369.347 2.312 20 0 FEADMM CCCOc1cccc(CCNC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512161915 561894519 /nfs/dbraw/zinc/89/45/19/561894519.db2.gz COTCCRBXNJSUGG-UHFFFAOYSA-N -1 1 354.410 2.435 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)c1 ZINC000364117446 555252907 /nfs/dbraw/zinc/25/29/07/555252907.db2.gz COCDZMFJVQDKHC-ZDUSSCGKSA-N -1 1 358.485 2.085 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)c1 ZINC000364122007 555254218 /nfs/dbraw/zinc/25/42/18/555254218.db2.gz ROQPZTHNBUBKST-OAHLLOKOSA-N -1 1 370.446 2.163 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)no1 ZINC000364434006 555313755 /nfs/dbraw/zinc/31/37/55/555313755.db2.gz VVQMOTODGJQOJE-GFCCVEGCSA-N -1 1 353.382 2.355 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)no1 ZINC000364434006 555313756 /nfs/dbraw/zinc/31/37/56/555313756.db2.gz VVQMOTODGJQOJE-GFCCVEGCSA-N -1 1 353.382 2.355 20 0 FEADMM Cc1cccc(OC2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)n1 ZINC000364698959 555377833 /nfs/dbraw/zinc/37/78/33/555377833.db2.gz RKMDZZYJJLZCSL-UHFFFAOYSA-N -1 1 367.409 2.061 20 0 FEADMM COc1cc(C)cc2c1OCC[C@H]2[N-]S(=O)(=O)c1c(C)noc1C ZINC000365107083 555487002 /nfs/dbraw/zinc/48/70/02/555487002.db2.gz YAJKUEWHGMKIJW-CYBMUJFWSA-N -1 1 352.412 2.411 20 0 FEADMM CN(C)c1ccc(S(=O)(=O)[N-]c2cccnc2-c2cnn(C)c2)cc1 ZINC000365310482 555538894 /nfs/dbraw/zinc/53/88/94/555538894.db2.gz UXVKLRMWMGWICH-UHFFFAOYSA-N -1 1 357.439 2.349 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)n1 ZINC000365455550 555580169 /nfs/dbraw/zinc/58/01/69/555580169.db2.gz CRROFFDDBOFPQD-UHFFFAOYSA-N -1 1 367.409 2.483 20 0 FEADMM O=C(NCC1(O)CCC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000365692189 555642043 /nfs/dbraw/zinc/64/20/43/555642043.db2.gz RUIPTASVGNITAS-QGZVFWFLSA-N -1 1 368.433 2.181 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c1 ZINC000513798240 561950349 /nfs/dbraw/zinc/95/03/49/561950349.db2.gz WVHNHGWWIMHGLF-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM O=C(COc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366709395 555915334 /nfs/dbraw/zinc/91/53/34/555915334.db2.gz IZGVUUYROFCNLM-SECBINFHSA-N -1 1 356.213 2.292 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@H](c3ccccc3)C2)co1 ZINC000366821040 555943785 /nfs/dbraw/zinc/94/37/85/555943785.db2.gz BBOIRCFNBOJALQ-AWEZNQCLSA-N -1 1 366.464 2.118 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3ccncc3)cc2)co1 ZINC000366834617 555946444 /nfs/dbraw/zinc/94/64/44/555946444.db2.gz UYFYCGSHANBQEC-UHFFFAOYSA-N -1 1 371.418 2.180 20 0 FEADMM CO[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000366871007 555956384 /nfs/dbraw/zinc/95/63/84/555956384.db2.gz FPVVOVHKHJJYRR-HZPDHXFCSA-N -1 1 356.426 2.169 20 0 FEADMM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000367606054 556095081 /nfs/dbraw/zinc/09/50/81/556095081.db2.gz DGCXXXMHPANUNB-SFHVURJKSA-N -1 1 364.401 2.172 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000367607439 556095958 /nfs/dbraw/zinc/09/59/58/556095958.db2.gz HUQWITHRWXGYTB-LBPRGKRZSA-N -1 1 367.471 2.408 20 0 FEADMM COc1cccc(C2(F)CCN(S(=O)(=O)c3c(C)o[n-]c3=N)CC2)c1 ZINC000367681921 556113647 /nfs/dbraw/zinc/11/36/47/556113647.db2.gz DVYSBSWMEQILGO-UHFFFAOYSA-N -1 1 369.418 2.223 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)C2(S(C)(=O)=O)CCCC2)c1Br ZINC000621896247 556180577 /nfs/dbraw/zinc/18/05/77/556180577.db2.gz RMFKJIXQLVVNCA-UHFFFAOYSA-N -1 1 364.265 2.031 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)Cc1ccc(O)cc1 ZINC000515093426 561996090 /nfs/dbraw/zinc/99/60/90/561996090.db2.gz KSJDOVVTLIBFPL-LLVKDONJSA-N -1 1 365.332 2.138 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cc(Cl)c[nH]1 ZINC000368408810 556299950 /nfs/dbraw/zinc/29/99/50/556299950.db2.gz FQUHNQPFNDGQKA-NSHDSACASA-N -1 1 355.160 2.493 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC000368470035 556319149 /nfs/dbraw/zinc/31/91/49/556319149.db2.gz KCYRPTAGJMCIPJ-QGZVFWFLSA-N -1 1 365.437 2.337 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000368571558 556349389 /nfs/dbraw/zinc/34/93/89/556349389.db2.gz DSSJBHVSAPRLLN-UHFFFAOYSA-N -1 1 372.406 2.449 20 0 FEADMM O=C(c1coc(-c2c(F)cccc2F)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000516045066 562028706 /nfs/dbraw/zinc/02/87/06/562028706.db2.gz ANVRPJYYIOZTRZ-SECBINFHSA-N -1 1 360.324 2.153 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1OCCc2ccccc21 ZINC000369261309 556553696 /nfs/dbraw/zinc/55/36/96/556553696.db2.gz CMCOKFYOOMLWBL-QGZVFWFLSA-N -1 1 366.421 2.024 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCCS2)n[n-]1 ZINC000516080381 562030129 /nfs/dbraw/zinc/03/01/29/562030129.db2.gz GPDVHIMXNKZIOY-NEPJUHHUSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCCS2)[n-]1 ZINC000516080381 562030130 /nfs/dbraw/zinc/03/01/30/562030130.db2.gz GPDVHIMXNKZIOY-NEPJUHHUSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2CCCCS2)n1 ZINC000516080381 562030131 /nfs/dbraw/zinc/03/01/31/562030131.db2.gz GPDVHIMXNKZIOY-NEPJUHHUSA-N -1 1 354.476 2.471 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCO[C@@H]3CCC[C@H]32)c(=O)[n-]1 ZINC000369458703 556604783 /nfs/dbraw/zinc/60/47/83/556604783.db2.gz QYOZXMOPXYGCOB-ZIAGYGMSSA-N -1 1 351.472 2.315 20 0 FEADMM CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000369538408 556625333 /nfs/dbraw/zinc/62/53/33/556625333.db2.gz CPSRLKGOMXXJMX-HNNXBMFYSA-N -1 1 366.425 2.148 20 0 FEADMM O=S(=O)([N-]c1cnn(C2CCN(Cc3ccccn3)CC2)c1)C(F)F ZINC000369570220 556634771 /nfs/dbraw/zinc/63/47/71/556634771.db2.gz NCNHAVJOQDJQRX-UHFFFAOYSA-N -1 1 371.413 2.080 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000369571665 556634809 /nfs/dbraw/zinc/63/48/09/556634809.db2.gz UARCTFWVPXKINL-CQSZACIVSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(CN4CCCC4=O)CC3)cnc2n1 ZINC000369823460 556704936 /nfs/dbraw/zinc/70/49/36/556704936.db2.gz APVGRBUCYPGVHA-UHFFFAOYSA-N -1 1 368.437 2.118 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC(CN4CCCC4=O)CC3)c[n-]c2n1 ZINC000369823460 556704939 /nfs/dbraw/zinc/70/49/39/556704939.db2.gz APVGRBUCYPGVHA-UHFFFAOYSA-N -1 1 368.437 2.118 20 0 FEADMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 ZINC000370272121 556827046 /nfs/dbraw/zinc/82/70/46/556827046.db2.gz BSWVJHCGHNLQHQ-UHFFFAOYSA-N -1 1 374.418 2.121 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370852845 556990967 /nfs/dbraw/zinc/99/09/67/556990967.db2.gz PLEFXXJHMPLYAE-NOZJJQNGSA-N -1 1 370.240 2.285 20 0 FEADMM O=C(CSc1ccc2ccccc2c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370853955 556991590 /nfs/dbraw/zinc/99/15/90/556991590.db2.gz VXEVDGYFZAMEPL-OAHLLOKOSA-N -1 1 355.423 2.045 20 0 FEADMM CCCCc1ccc(C(=O)CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000370853456 556991616 /nfs/dbraw/zinc/99/16/16/556991616.db2.gz SVWSGEAHMMLIES-QGZVFWFLSA-N -1 1 371.441 2.105 20 0 FEADMM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370857582 556992355 /nfs/dbraw/zinc/99/23/55/556992355.db2.gz OTADSYGUWJSGCI-CABCVRRESA-N -1 1 361.471 2.058 20 0 FEADMM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)ccc21 ZINC000517213129 562079785 /nfs/dbraw/zinc/07/97/85/562079785.db2.gz NWRMRQODETVHFB-UHFFFAOYSA-N -1 1 374.418 2.168 20 0 FEADMM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC(c2cnc[nH]2)CC1 ZINC000371170094 557095457 /nfs/dbraw/zinc/09/54/57/557095457.db2.gz LTSBAXMHZYRJMJ-UHFFFAOYSA-N -1 1 355.423 2.367 20 0 FEADMM CCOc1ccc(OCCCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000371291317 557133521 /nfs/dbraw/zinc/13/35/21/557133521.db2.gz IRFGFIKTTHBSLY-AWEZNQCLSA-N -1 1 359.430 2.164 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000371482699 557195342 /nfs/dbraw/zinc/19/53/42/557195342.db2.gz MTQUMRFROZQFCZ-RDTXWAMCSA-N -1 1 368.433 2.397 20 0 FEADMM CC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nnc2n1CCCCC2 ZINC000517640571 562094303 /nfs/dbraw/zinc/09/43/03/562094303.db2.gz HCRKBFBKTOYKRD-ZDUSSCGKSA-N -1 1 366.425 2.122 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2OC)o1 ZINC000518086941 562104113 /nfs/dbraw/zinc/10/41/13/562104113.db2.gz IQJQQPBNBAXYRC-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000371722182 557274725 /nfs/dbraw/zinc/27/47/25/557274725.db2.gz DFOSPLJQAJRGER-HIFRSBDPSA-N -1 1 370.453 2.004 20 0 FEADMM COC(=O)[C@H]1C[C@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)c2ccccc21 ZINC000371775292 557290437 /nfs/dbraw/zinc/29/04/37/557290437.db2.gz XHPFKAZXTCQPKD-STQMWFEESA-N -1 1 373.434 2.344 20 0 FEADMM CCCc1c([N-]S(=O)(=O)C[C@H]2CCCO2)cnn1-c1cc(C)ccn1 ZINC000371900198 557324476 /nfs/dbraw/zinc/32/44/76/557324476.db2.gz VYNAENGFDIXOBU-CQSZACIVSA-N -1 1 364.471 2.449 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(CCc2ccco2)no1 ZINC000371940869 557334040 /nfs/dbraw/zinc/33/40/40/557334040.db2.gz DENHWMHCLTUCJV-UHFFFAOYSA-N -1 1 363.377 2.492 20 0 FEADMM Cc1ccsc1CC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000518493119 562112798 /nfs/dbraw/zinc/11/27/98/562112798.db2.gz POUJYZQRZWQXNF-UHFFFAOYSA-N -1 1 353.391 2.330 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)cnc2n1 ZINC000372026817 557360169 /nfs/dbraw/zinc/36/01/69/557360169.db2.gz SMKRXYMEGDHHHQ-SGTLLEGYSA-N -1 1 359.451 2.428 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCO[C@@]3(CCSC3)C1)c2=O ZINC000372026817 557360174 /nfs/dbraw/zinc/36/01/74/557360174.db2.gz SMKRXYMEGDHHHQ-SGTLLEGYSA-N -1 1 359.451 2.428 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000372142369 557391140 /nfs/dbraw/zinc/39/11/40/557391140.db2.gz CMDJMPIXBGZHJW-UXIGCNINSA-N -1 1 363.439 2.057 20 0 FEADMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000518827586 562119506 /nfs/dbraw/zinc/11/95/06/562119506.db2.gz ZKDLTPWBYFAPJO-UHFFFAOYSA-N -1 1 357.457 2.011 20 0 FEADMM COc1ccc(NC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)cc1F ZINC000519094230 562124886 /nfs/dbraw/zinc/12/48/86/562124886.db2.gz VJOPCTMYDHGZGA-UHFFFAOYSA-N -1 1 369.356 2.277 20 0 FEADMM O=C(c1cc(Oc2ccccc2)ccn1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372363953 557450977 /nfs/dbraw/zinc/45/09/77/557450977.db2.gz CWWCCZYOKDTVEP-CYBMUJFWSA-N -1 1 350.382 2.407 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)n[nH]c1-c1ccncc1 ZINC000372449738 557473753 /nfs/dbraw/zinc/47/37/53/557473753.db2.gz KONVCQCWZYOORD-UHFFFAOYSA-N -1 1 360.443 2.433 20 0 FEADMM Cc1cnc(C2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)s1 ZINC000372890363 557582898 /nfs/dbraw/zinc/58/28/98/557582898.db2.gz XEGHDSDJPQXZJJ-UHFFFAOYSA-N -1 1 357.439 2.459 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)[C@@H](C)CC)CC2)n1 ZINC000373108369 557630550 /nfs/dbraw/zinc/63/05/50/557630550.db2.gz BDTIYRJPNACEAW-NWDGAFQWSA-N -1 1 351.451 2.305 20 0 FEADMM CCn1nc2c(cc1=O)CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000373177605 557644738 /nfs/dbraw/zinc/64/47/38/557644738.db2.gz PRLCDKHQLCUQMC-UHFFFAOYSA-N -1 1 367.327 2.186 20 0 FEADMM NC(=O)c1noc([C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000373597492 557726545 /nfs/dbraw/zinc/72/65/45/557726545.db2.gz XBOXIAVHGYUPDZ-CYBMUJFWSA-N -1 1 352.350 2.005 20 0 FEADMM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(-c2ncon2)cc1 ZINC000520673720 562161300 /nfs/dbraw/zinc/16/13/00/562161300.db2.gz MDBNSMBABVBQHM-UHFFFAOYSA-N -1 1 351.306 2.057 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000374478039 557889379 /nfs/dbraw/zinc/88/93/79/557889379.db2.gz ILPLGTAJHYFRBT-GFCCVEGCSA-N -1 1 358.325 2.382 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000374961764 557956860 /nfs/dbraw/zinc/95/68/60/557956860.db2.gz IYVHMMOMAHWSJY-ZDUSSCGKSA-N -1 1 372.400 2.072 20 0 FEADMM CC(C)(C)NC(=O)NC(=O)CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375346104 558013078 /nfs/dbraw/zinc/01/30/78/558013078.db2.gz VGWBHSJVCRRYCD-UHFFFAOYSA-N -1 1 361.442 2.189 20 0 FEADMM COCCN(CC(C)C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000521367452 562175066 /nfs/dbraw/zinc/17/50/66/562175066.db2.gz HUHHGIVMDCAFAX-UHFFFAOYSA-N -1 1 373.475 2.203 20 0 FEADMM Cc1nc([C@@H](NC(=O)N=c2ccc(OC(C)C)n[n-]2)c2ccccc2)n[nH]1 ZINC000375477119 558034218 /nfs/dbraw/zinc/03/42/18/558034218.db2.gz XNXZYRLBYBUAAN-INIZCTEOSA-N -1 1 367.413 2.601 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1Cl ZINC000375576030 558051696 /nfs/dbraw/zinc/05/16/96/558051696.db2.gz DWGLRHMNDMEVRA-YPMHNXCESA-N -1 1 372.874 2.061 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000376548796 558188610 /nfs/dbraw/zinc/18/86/10/558188610.db2.gz RSRBDQQEMQLYEM-UHFFFAOYSA-N -1 1 360.395 2.290 20 0 FEADMM COC(=O)c1ccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000521776172 562183404 /nfs/dbraw/zinc/18/34/04/562183404.db2.gz WHKCBGMQACKNDE-UHFFFAOYSA-N -1 1 371.361 2.109 20 0 FEADMM CC(C)n1ncc2c1[C@H](NC(=O)/N=c1/ccnc3n(C)[n-]cc1-3)CCC2 ZINC000376646310 558202836 /nfs/dbraw/zinc/20/28/36/558202836.db2.gz NNUGTIKPKUKCJD-YZLQOSHFSA-N -1 1 353.430 2.318 20 0 FEADMM COc1cc2nc(-c3ccc(N4CCOCC4)nc3)[n-]c(=O)c2cc1OC ZINC000521850769 562184914 /nfs/dbraw/zinc/18/49/14/562184914.db2.gz SDIDMDIOPBKPSA-UHFFFAOYSA-N -1 1 368.393 2.251 20 0 FEADMM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000377628169 558380771 /nfs/dbraw/zinc/38/07/71/558380771.db2.gz NOVFOHIIFSEWED-CYBMUJFWSA-N -1 1 360.360 2.449 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1Cc2ccccc2C1 ZINC000522717109 562202640 /nfs/dbraw/zinc/20/26/40/562202640.db2.gz JFQMHZGJHOUHCS-UHFFFAOYSA-N -1 1 350.422 2.125 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000377857233 558435764 /nfs/dbraw/zinc/43/57/64/558435764.db2.gz RKFRRDCEDKEBTE-OAHLLOKOSA-N -1 1 358.423 2.370 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000522884024 562205396 /nfs/dbraw/zinc/20/53/96/562205396.db2.gz JKPHYYLGJZTLAL-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM COc1ccc(OC)c(-n2nnnc2SCC(=O)c2ccc([O-])cc2)c1 ZINC000523226257 562209915 /nfs/dbraw/zinc/20/99/15/562209915.db2.gz VVIGSUOVFLZDHH-UHFFFAOYSA-N -1 1 372.406 2.360 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000378408551 558549714 /nfs/dbraw/zinc/54/97/14/558549714.db2.gz XKHXBEMCDYPEJH-ZACCUICWSA-N -1 1 354.403 2.141 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000523514703 562214472 /nfs/dbraw/zinc/21/44/72/562214472.db2.gz WVCQWGXUSKNMAC-UHFFFAOYSA-N -1 1 371.422 2.281 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC([C@@H]2CCCOC2)CC1 ZINC000378588234 558589968 /nfs/dbraw/zinc/58/99/68/558589968.db2.gz BZSBCPAJMBHPQQ-MRXNPFEDSA-N -1 1 372.469 2.259 20 0 FEADMM COCC(C)(C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000385680494 558606643 /nfs/dbraw/zinc/60/66/43/558606643.db2.gz GFZAEJVVKPHFRI-UHFFFAOYSA-N -1 1 363.195 2.399 20 0 FEADMM COCC(C)(C)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000381234307 558603533 /nfs/dbraw/zinc/60/35/33/558603533.db2.gz JABWHHCPXOXRCU-UHFFFAOYSA-N -1 1 363.195 2.494 20 0 FEADMM O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000407995039 558636499 /nfs/dbraw/zinc/63/64/99/558636499.db2.gz GKNRIBBJNDDQPA-PWSUYJOCSA-N -1 1 363.801 2.386 20 0 FEADMM O=C(Cc1csc(Cc2ccccc2)n1)NC1(c2nn[n-]n2)CCCC1 ZINC000524041281 562223306 /nfs/dbraw/zinc/22/33/06/562223306.db2.gz XQOWOPCATSNLMF-UHFFFAOYSA-N -1 1 368.466 2.375 20 0 FEADMM C[C@H]1CCCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000408313316 558665814 /nfs/dbraw/zinc/66/58/14/558665814.db2.gz HREQVFVAMLSKIF-NSHDSACASA-N -1 1 364.464 2.008 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCS1 ZINC000408372664 558671642 /nfs/dbraw/zinc/67/16/42/558671642.db2.gz IYEJLMTWJCFNBG-NSHDSACASA-N -1 1 360.501 2.324 20 0 FEADMM O=S1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000408401183 558674198 /nfs/dbraw/zinc/67/41/98/558674198.db2.gz AMHCTAOMXMMPCF-UHFFFAOYSA-N -1 1 360.259 2.322 20 0 FEADMM CN(C)[C@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(F)c1 ZINC000409530803 558700465 /nfs/dbraw/zinc/70/04/65/558700465.db2.gz QGOPYDIFLAJTHZ-MRXNPFEDSA-N -1 1 370.384 2.202 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000410291536 558750267 /nfs/dbraw/zinc/75/02/67/558750267.db2.gz YWOQUQFSLKZODK-MNOVXSKESA-N -1 1 366.343 2.839 20 0 FEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000410355752 558752650 /nfs/dbraw/zinc/75/26/50/558752650.db2.gz SOHMUVCSCJXQMP-UHFFFAOYSA-N -1 1 368.798 2.011 20 0 FEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)OCO2 ZINC000410395466 558755039 /nfs/dbraw/zinc/75/50/39/558755039.db2.gz PIAMSELBUQNCBR-UHFFFAOYSA-N -1 1 368.798 2.277 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1 ZINC000410415751 558756317 /nfs/dbraw/zinc/75/63/17/558756317.db2.gz FGVYJLIUTGUSAY-UHFFFAOYSA-N -1 1 360.391 2.011 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2cc(Br)ccc2F)[n-]n1 ZINC000413081836 559076392 /nfs/dbraw/zinc/07/63/92/559076392.db2.gz HMYILOGZOXOLHS-UHFFFAOYSA-N -1 1 367.222 2.783 20 0 FEADMM COc1cc(NC(=O)C[C@H]2CCC(=O)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000526981391 562271738 /nfs/dbraw/zinc/27/17/38/562271738.db2.gz GIJVIAXPOMRICY-GHMZBOCLSA-N -1 1 354.428 2.011 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000414402293 559161824 /nfs/dbraw/zinc/16/18/24/559161824.db2.gz XWGPHCQGVKLKFG-LBPRGKRZSA-N -1 1 364.379 2.038 20 0 FEADMM O=C(c1ccc(COC(F)(F)F)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000527250809 562282354 /nfs/dbraw/zinc/28/23/54/562282354.db2.gz CIHSPDUVFFTCTG-LBPRGKRZSA-N -1 1 355.320 2.256 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](CC(C)C)OC)c2)n1 ZINC000415548779 559248395 /nfs/dbraw/zinc/24/83/95/559248395.db2.gz ARFHKBOHTPSYRJ-OAHLLOKOSA-N -1 1 374.441 2.326 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000416149987 559294631 /nfs/dbraw/zinc/29/46/31/559294631.db2.gz YUNTVUOZRDQFRJ-WPRPVWTQSA-N -1 1 369.299 2.201 20 0 FEADMM COc1cccc(C2(CNC(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CCCC2)c1 ZINC000416159478 559295174 /nfs/dbraw/zinc/29/51/74/559295174.db2.gz MUFDXZVMJACEID-UHFFFAOYSA-N -1 1 373.409 2.147 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000416161347 559295345 /nfs/dbraw/zinc/29/53/45/559295345.db2.gz QQNCVJAIECBCSC-QMMMGPOBSA-N -1 1 371.315 2.276 20 0 FEADMM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c1 ZINC000416204094 559298127 /nfs/dbraw/zinc/29/81/27/559298127.db2.gz NGYZSVLYGCGAIC-GXFFZTMASA-N -1 1 359.382 2.128 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416263062 559301563 /nfs/dbraw/zinc/30/15/63/559301563.db2.gz XRHXBCWEXLMYPL-NSHDSACASA-N -1 1 365.336 2.022 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccc(C)o1 ZINC000416412450 559311176 /nfs/dbraw/zinc/31/11/76/559311176.db2.gz CXGORTUMTJDLGV-WCQYABFASA-N -1 1 353.444 2.348 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCCC2)o1 ZINC000416505402 559318379 /nfs/dbraw/zinc/31/83/79/559318379.db2.gz AYIZHJMIJTXKFG-HNNXBMFYSA-N -1 1 373.471 2.312 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c(C(F)(F)F)n1 ZINC000416624506 559325818 /nfs/dbraw/zinc/32/58/18/559325818.db2.gz AMMACABKWSIOAJ-UHFFFAOYSA-N -1 1 362.377 2.090 20 0 FEADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C(N)=O)c2)cc1OC ZINC000417553137 559366763 /nfs/dbraw/zinc/36/67/63/559366763.db2.gz GMRMQNPNZTZCNR-OAHLLOKOSA-N -1 1 358.394 2.108 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)(C(=O)OC)c1ccccc1 ZINC000420677442 559497333 /nfs/dbraw/zinc/49/73/33/559497333.db2.gz MSIVXONLQGJURJ-WMZOPIPTSA-N -1 1 371.499 2.445 20 0 FEADMM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000421910101 559556155 /nfs/dbraw/zinc/55/61/55/559556155.db2.gz AMOMKCPALZJQDS-RYUDHWBXSA-N -1 1 374.441 2.256 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@]12CCOC2 ZINC000422077433 559564008 /nfs/dbraw/zinc/56/40/08/559564008.db2.gz KZZPGDLDBRCBFC-LJQANCHMSA-N -1 1 372.446 2.492 20 0 FEADMM Cc1nc([C@@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)no1 ZINC000424208553 559657671 /nfs/dbraw/zinc/65/76/71/559657671.db2.gz QOWJQCWNYHXOFQ-SECBINFHSA-N -1 1 359.411 2.187 20 0 FEADMM Cc1nc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)no1 ZINC000424208553 559657672 /nfs/dbraw/zinc/65/76/72/559657672.db2.gz QOWJQCWNYHXOFQ-SECBINFHSA-N -1 1 359.411 2.187 20 0 FEADMM CS(=O)(=O)c1ccc(OCCN2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000424261052 559659713 /nfs/dbraw/zinc/65/97/13/559659713.db2.gz OSZRZSANXHXYCX-AWEZNQCLSA-N -1 1 355.456 2.188 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])n[nH]2)cc1OC ZINC000424267562 559660166 /nfs/dbraw/zinc/66/01/66/559660166.db2.gz VHIFHJNLWRFXMR-PIGZYNQJSA-N -1 1 373.409 2.419 20 0 FEADMM CC(C)C[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC000424396482 559663018 /nfs/dbraw/zinc/66/30/18/559663018.db2.gz XDPQYFRZLZEVRI-VIFPVBQESA-N -1 1 369.361 2.436 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@@H]2C)c(F)c1 ZINC000425223124 559692236 /nfs/dbraw/zinc/69/22/36/559692236.db2.gz YPUSKDNZZLISRT-NWDGAFQWSA-N -1 1 360.426 2.341 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@H](NC(=O)N(C)C)C2)n[n-]1)c1ccccc1 ZINC000425266166 559694208 /nfs/dbraw/zinc/69/42/08/559694208.db2.gz HBNCZOVMBZMVEU-DOTOQJQBSA-N -1 1 368.485 2.890 20 0 FEADMM O=C(c1cnnc(-c2ccccc2)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425294232 559695152 /nfs/dbraw/zinc/69/51/52/559695152.db2.gz CZPWKDOVMZQGLA-CYBMUJFWSA-N -1 1 351.366 2.252 20 0 FEADMM O=C(C[C@@H]1CSc2ccccc2O1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300988 559695398 /nfs/dbraw/zinc/69/53/98/559695398.db2.gz LUHWJESBLYECTC-VXGBXAGGSA-N -1 1 361.423 2.425 20 0 FEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)c2c1 ZINC000425323471 559696607 /nfs/dbraw/zinc/69/66/07/559696607.db2.gz OSKJWAPPVVWJPG-UHFFFAOYSA-N -1 1 372.356 2.496 20 0 FEADMM COCCCOc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000425321680 559696749 /nfs/dbraw/zinc/69/67/49/559696749.db2.gz MYXPJWUEKIHVNZ-UHFFFAOYSA-N -1 1 361.398 2.210 20 0 FEADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c1 ZINC000425987437 559726961 /nfs/dbraw/zinc/72/69/61/559726961.db2.gz ZNNYNEPQEIJSNJ-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1cnn(Cc2ccccc2)c1 ZINC000426293369 559732348 /nfs/dbraw/zinc/73/23/48/559732348.db2.gz GZYIGMVQVDECBQ-UHFFFAOYSA-N -1 1 354.395 2.004 20 0 FEADMM O=S(=O)([N-]c1ccc2nn[nH]c2c1)c1cnn(Cc2ccccc2)c1 ZINC000426293369 559732349 /nfs/dbraw/zinc/73/23/49/559732349.db2.gz GZYIGMVQVDECBQ-UHFFFAOYSA-N -1 1 354.395 2.004 20 0 FEADMM Cc1cc(S(C)(=O)=O)cc(NC(=O)c2csc(=NC3CC3)[n-]2)c1C ZINC000427011769 559745596 /nfs/dbraw/zinc/74/55/96/559745596.db2.gz JEHAOHPMOVWKLI-UHFFFAOYSA-N -1 1 365.480 2.990 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccnc2C(N)=O)c1 ZINC000427092750 559747679 /nfs/dbraw/zinc/74/76/79/559747679.db2.gz LCWFRQAKVDHOQD-UHFFFAOYSA-N -1 1 350.172 2.209 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)cc1 ZINC000427134131 559748714 /nfs/dbraw/zinc/74/87/14/559748714.db2.gz WFOWIVRAQWCNEW-UHFFFAOYSA-N -1 1 369.439 2.338 20 0 FEADMM O=C(NCc1nc(CNC(=O)c2ncccc2[O-])cs1)c1ccccc1 ZINC000427152637 559749226 /nfs/dbraw/zinc/74/92/26/559749226.db2.gz LMTOTWUJIAPTTF-UHFFFAOYSA-N -1 1 368.418 2.104 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3c[nH]cc3-c3ccccc3F)CC2)s[n-]1 ZINC000427158011 559749401 /nfs/dbraw/zinc/74/94/01/559749401.db2.gz PRQOOYWWNWAEFX-UHFFFAOYSA-N -1 1 372.429 2.217 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H](C)C(F)(F)C1 ZINC000427531990 559757419 /nfs/dbraw/zinc/75/74/19/559757419.db2.gz VQOLGOQZLAUTQZ-SNVBAGLBSA-N -1 1 352.385 2.488 20 0 FEADMM Cc1cnc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c([O-])c1 ZINC000427808513 559763218 /nfs/dbraw/zinc/76/32/18/559763218.db2.gz QCSPIZHQOYAZRT-UHFFFAOYSA-N -1 1 355.316 2.404 20 0 FEADMM Cc1cc(N2CCC([N-]S(=O)(=O)c3c(F)cccc3Cl)CC2)n[nH]1 ZINC000428088029 559769550 /nfs/dbraw/zinc/76/95/50/559769550.db2.gz GZATZSRGMNARDH-UHFFFAOYSA-N -1 1 372.853 2.458 20 0 FEADMM C[C@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000428391887 559774661 /nfs/dbraw/zinc/77/46/61/559774661.db2.gz HXEDIJMLRVFIGA-CMPLNLGQSA-N -1 1 364.464 2.006 20 0 FEADMM COCc1n[n-]c(=NC[C@H]2CSCCN2Cc2ccccc2)s1 ZINC000428681689 559781069 /nfs/dbraw/zinc/78/10/69/559781069.db2.gz QDFYQNUWZLVZQY-AWEZNQCLSA-N -1 1 350.513 2.714 20 0 FEADMM CC[C@]1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000428727119 559781908 /nfs/dbraw/zinc/78/19/08/559781908.db2.gz BLPQBVZBWZPHGR-IBGZPJMESA-N -1 1 374.462 2.474 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000430324339 559817811 /nfs/dbraw/zinc/81/78/11/559817811.db2.gz UTFVNWKXRIZSAT-HNNXBMFYSA-N -1 1 371.347 2.404 20 0 FEADMM NC(=O)c1csc(=N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[n-]1 ZINC000432157613 559853057 /nfs/dbraw/zinc/85/30/57/559853057.db2.gz KYYKSEDYGJWLAR-SNVBAGLBSA-N -1 1 371.249 2.766 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCCCOc2cccc(C)c2)n1 ZINC000432673480 559862990 /nfs/dbraw/zinc/86/29/90/559862990.db2.gz VZAAOYZXGNLECA-UHFFFAOYSA-N -1 1 363.439 2.182 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cccnc3)c2)n1 ZINC000432965959 559869033 /nfs/dbraw/zinc/86/90/33/559869033.db2.gz QFUWWXXLRZZCAE-UHFFFAOYSA-N -1 1 366.381 2.365 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000435468292 559923730 /nfs/dbraw/zinc/92/37/30/559923730.db2.gz CBSYXQDTOVQONP-UHFFFAOYSA-N -1 1 354.472 2.094 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCCc1ccccn1 ZINC000436015414 559933701 /nfs/dbraw/zinc/93/37/01/559933701.db2.gz HTWIBDBJYPUIQL-UHFFFAOYSA-N -1 1 363.421 2.239 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C2N=NC(=O)O2)cc1 ZINC000436478532 559942632 /nfs/dbraw/zinc/94/26/32/559942632.db2.gz QBNGPFGWYCNZHT-UHFFFAOYSA-N -1 1 374.378 2.201 20 0 FEADMM COc1ccc(-c2n[n-]c(=NC(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)cc1 ZINC000436506053 559943690 /nfs/dbraw/zinc/94/36/90/559943690.db2.gz ALLISUCLKARYBD-TXEJJXNPSA-N -1 1 361.471 2.770 20 0 FEADMM O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)c1ccc([O-])cc1 ZINC000436567046 559945534 /nfs/dbraw/zinc/94/55/34/559945534.db2.gz RPAIEIGSXCYKGD-UHFFFAOYSA-N -1 1 358.825 2.403 20 0 FEADMM COC(=O)C1(NC(=O)c2ccc(Br)cc2[O-])CCSCC1 ZINC000436606353 559946335 /nfs/dbraw/zinc/94/63/35/559946335.db2.gz QSXAPQLXFBNGJV-UHFFFAOYSA-N -1 1 374.256 2.323 20 0 FEADMM CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000436613798 559946515 /nfs/dbraw/zinc/94/65/15/559946515.db2.gz XPXXXVAJGAYSSM-CHWSQXEVSA-N -1 1 369.801 2.145 20 0 FEADMM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436622709 559946895 /nfs/dbraw/zinc/94/68/95/559946895.db2.gz DWDXZAUBDUGOKU-LLVKDONJSA-N -1 1 364.423 2.427 20 0 FEADMM O=C(COc1ccccc1)N1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436629796 559946987 /nfs/dbraw/zinc/94/69/87/559946987.db2.gz LJPFWNWDMPMNHQ-AWEZNQCLSA-N -1 1 374.824 2.455 20 0 FEADMM C[C@]1(c2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2)NC(=O)NC1=O ZINC000436701603 559949412 /nfs/dbraw/zinc/94/94/12/559949412.db2.gz ZJBMQBGBWFZHID-GOSISDBHSA-N -1 1 373.796 2.030 20 0 FEADMM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2ccc([O-])cc2F)s1 ZINC000436711472 559949686 /nfs/dbraw/zinc/94/96/86/559949686.db2.gz IHZYFWACZDHTSW-RKDXNWHRSA-N -1 1 366.418 2.338 20 0 FEADMM Cc1ccc(-c2cc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])on2)cc1 ZINC000436728875 559950204 /nfs/dbraw/zinc/95/02/04/559950204.db2.gz ORLPAXPCNRTMAJ-UHFFFAOYSA-N -1 1 373.390 2.255 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc(OC)c1 ZINC000436787531 559952073 /nfs/dbraw/zinc/95/20/73/559952073.db2.gz WRRHMRSFDJKSHG-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM O=C(N[C@@H](CO)c1ccc(Br)cc1)C(=O)c1ccc([O-])cc1 ZINC000436858464 559954518 /nfs/dbraw/zinc/95/45/18/559954518.db2.gz FNXFDBPRRBDACN-AWEZNQCLSA-N -1 1 364.195 2.187 20 0 FEADMM CSc1ccccc1NC(=O)CN(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436861523 559954705 /nfs/dbraw/zinc/95/47/05/559954705.db2.gz BYDSXDLRKYTMDR-UHFFFAOYSA-N -1 1 358.419 2.394 20 0 FEADMM CCOc1ccc(CN2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436881698 559955013 /nfs/dbraw/zinc/95/50/13/559955013.db2.gz OIXAWVLQSCINMH-UHFFFAOYSA-N -1 1 368.433 2.318 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c2=O ZINC000437360137 559963835 /nfs/dbraw/zinc/96/38/35/559963835.db2.gz UBDPKDKQANCLQJ-ISVAXAHUSA-N -1 1 362.311 2.377 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)c([O-])c1 ZINC000437686748 559967892 /nfs/dbraw/zinc/96/78/92/559967892.db2.gz LAZLTZISQSZRBV-UHFFFAOYSA-N -1 1 370.409 2.375 20 0 FEADMM O=C(NC1(CO)Cc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000437941027 559971876 /nfs/dbraw/zinc/97/18/76/559971876.db2.gz ONTWKFDBSFZTPL-UHFFFAOYSA-N -1 1 362.223 2.414 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000438455926 559979293 /nfs/dbraw/zinc/97/92/93/559979293.db2.gz DAYNHJRKQJIZQM-VHSXEESVSA-N -1 1 368.377 2.286 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3cn[nH]c3)ccc2N1 ZINC000438809678 559983983 /nfs/dbraw/zinc/98/39/83/559983983.db2.gz LPMBDOZOQZUZPL-UHFFFAOYSA-N -1 1 354.391 2.372 20 0 FEADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2nccn3ccnc23)[nH][n-]1 ZINC000439155521 559989307 /nfs/dbraw/zinc/98/93/07/559989307.db2.gz BRZGPXSRTUDKEI-UHFFFAOYSA-N -1 1 368.784 3.034 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1N ZINC000439251132 559990922 /nfs/dbraw/zinc/99/09/22/559990922.db2.gz NTVVXTGDCJZXOB-UHFFFAOYSA-N -1 1 350.396 2.173 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1N ZINC000439257492 559990986 /nfs/dbraw/zinc/99/09/86/559990986.db2.gz JKAMWVPGMBOIAK-UHFFFAOYSA-N -1 1 350.396 2.173 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2C[C@@H](OC)C2(C)C)cc1[N-]S(C)(=O)=O ZINC000440275982 560007911 /nfs/dbraw/zinc/00/79/11/560007911.db2.gz LKJNAURZFBRXSH-UONOGXRCSA-N -1 1 371.459 2.002 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@H](OC)C[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000441639578 560036723 /nfs/dbraw/zinc/03/67/23/560036723.db2.gz UPTRBUIOXJGQPO-AAEUAGOBSA-N -1 1 371.459 2.098 20 0 FEADMM CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1(C)C ZINC000442922411 560062354 /nfs/dbraw/zinc/06/23/54/560062354.db2.gz GYGZALYCYSGZOF-GUYCJALGSA-N -1 1 357.834 2.350 20 0 FEADMM COc1cc(C(=O)Nc2cncc(-c3nncn3C)c2)cc(Cl)c1[O-] ZINC000443059842 560068553 /nfs/dbraw/zinc/06/85/53/560068553.db2.gz NLMHCAYKKNDECD-UHFFFAOYSA-N -1 1 359.773 2.497 20 0 FEADMM CCOC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCCOC1 ZINC000443112000 560071062 /nfs/dbraw/zinc/07/10/62/560071062.db2.gz RJFVLFKVGZKCDB-YGRLFVJLSA-N -1 1 371.817 2.142 20 0 FEADMM COc1cc(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000443110642 560071090 /nfs/dbraw/zinc/07/10/90/560071090.db2.gz BORYPBAQYWDGNE-ZDUSSCGKSA-N -1 1 352.749 2.150 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443124207 560071633 /nfs/dbraw/zinc/07/16/33/560071633.db2.gz ANSNLDUOZUAXEG-QMMMGPOBSA-N -1 1 355.696 2.278 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(O)cc1 ZINC000443131767 560072035 /nfs/dbraw/zinc/07/20/35/560072035.db2.gz PDJUMZKLZDGYKZ-AWEZNQCLSA-N -1 1 365.769 2.404 20 0 FEADMM O=S(=O)([N-]Cc1ccncc1OCC(F)F)c1cccc(F)c1F ZINC000443223503 560075363 /nfs/dbraw/zinc/07/53/63/560075363.db2.gz GUSFZXPOUFWQNU-UHFFFAOYSA-N -1 1 364.320 2.482 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c1 ZINC000443406312 560083235 /nfs/dbraw/zinc/08/32/35/560083235.db2.gz ZGPFPPZCQLZWDJ-UHFFFAOYSA-N -1 1 364.423 2.140 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c(C)c(OC)c1 ZINC000443422583 560083780 /nfs/dbraw/zinc/08/37/80/560083780.db2.gz LOJFREHBUOZXRI-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc3c1ccn(C)c3=O)OCO2 ZINC000443525048 560086284 /nfs/dbraw/zinc/08/62/84/560086284.db2.gz YGBAMAONXCDIDL-UHFFFAOYSA-N -1 1 372.402 2.376 20 0 FEADMM CC[C@]1(C)CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000443604960 560088438 /nfs/dbraw/zinc/08/84/38/560088438.db2.gz PBGQRIWRFFMTKY-MRXNPFEDSA-N -1 1 371.459 2.100 20 0 FEADMM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000444821796 560121591 /nfs/dbraw/zinc/12/15/91/560121591.db2.gz CPBOVOQISMUOTI-LLVKDONJSA-N -1 1 358.423 2.448 20 0 FEADMM C[C@@H]1NC(c2nc(-c3ccc([O-])cc3F)no2)=NN(c2ccccc2)C1=O ZINC000445457813 560132368 /nfs/dbraw/zinc/13/23/68/560132368.db2.gz ZUJDBVGVZLGNTN-JTQLQIEISA-N -1 1 367.340 2.268 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc(CSC)c2)c1 ZINC000445731881 560134406 /nfs/dbraw/zinc/13/44/06/560134406.db2.gz IYKXJHNRROSMFS-UHFFFAOYSA-N -1 1 355.437 2.408 20 0 FEADMM COc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000446330291 560144466 /nfs/dbraw/zinc/14/44/66/560144466.db2.gz HKOUBNAFQGLCMG-TUAOUCFPSA-N -1 1 371.459 2.096 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)N1CCOCC1 ZINC000447277991 560159299 /nfs/dbraw/zinc/15/92/99/560159299.db2.gz MGUIFSDFNNKNKH-UHFFFAOYSA-N -1 1 360.435 2.268 20 0 FEADMM COc1cccc([C@H](C)CCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000448114876 560178292 /nfs/dbraw/zinc/17/82/92/560178292.db2.gz YRHXDGNPKQGMGG-LLVKDONJSA-N -1 1 366.443 2.129 20 0 FEADMM COc1cccc([C@H](C)CCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000448114876 560178293 /nfs/dbraw/zinc/17/82/93/560178293.db2.gz YRHXDGNPKQGMGG-LLVKDONJSA-N -1 1 366.443 2.129 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)c(C)c1C(=O)[O-] ZINC000448182830 560179963 /nfs/dbraw/zinc/17/99/63/560179963.db2.gz TWSITGZLXJAPDW-OAHLLOKOSA-N -1 1 368.499 2.400 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1C(=O)[O-] ZINC000448183578 560180213 /nfs/dbraw/zinc/18/02/13/560180213.db2.gz XCMKXWQLBGMMPD-INIZCTEOSA-N -1 1 368.499 2.400 20 0 FEADMM CC(C)(NC(=O)c1cc(Cl)c(F)cc1Br)c1nn[n-]n1 ZINC000450006495 560247869 /nfs/dbraw/zinc/24/78/69/560247869.db2.gz SQXVERRNVOIQDJ-UHFFFAOYSA-N -1 1 362.590 2.420 20 0 FEADMM CCOC(=O)c1sc(Sc2nc3c(cnn3C)c(=O)[n-]2)nc1C ZINC000450636661 560268817 /nfs/dbraw/zinc/26/88/17/560268817.db2.gz FAOLPIGPTCQWOW-UHFFFAOYSA-N -1 1 351.413 2.162 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]c(SC(C)C)n1)c1ccccc1 ZINC000450975592 560280844 /nfs/dbraw/zinc/28/08/44/560280844.db2.gz XSLNBODVDSLMRF-LBPRGKRZSA-N -1 1 356.473 2.435 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)N1CCCC1 ZINC000451012454 560282290 /nfs/dbraw/zinc/28/22/90/560282290.db2.gz WMVFPYDGMSAIAI-UHFFFAOYSA-N -1 1 358.872 2.455 20 0 FEADMM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451037625 560283982 /nfs/dbraw/zinc/28/39/82/560283982.db2.gz PNPWGMCADVOQAR-UHFFFAOYSA-N -1 1 351.403 2.443 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1CCCCC1 ZINC000451082561 560286211 /nfs/dbraw/zinc/28/62/11/560286211.db2.gz USFGTYNLKVVSSW-UHFFFAOYSA-N -1 1 354.403 2.253 20 0 FEADMM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1sccc1Cl ZINC000451218872 560293838 /nfs/dbraw/zinc/29/38/38/560293838.db2.gz OUASAPWWXXWODU-UHFFFAOYSA-N -1 1 362.860 2.401 20 0 FEADMM CN(C(=O)C[N-]S(=O)(=O)c1sccc1Cl)C1CCCCC1 ZINC000451277715 560297763 /nfs/dbraw/zinc/29/77/63/560297763.db2.gz RZINGNVVZUZDFC-UHFFFAOYSA-N -1 1 350.893 2.471 20 0 FEADMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451364572 560302819 /nfs/dbraw/zinc/30/28/19/560302819.db2.gz CXSWJUDECDFVPN-UHFFFAOYSA-N -1 1 361.876 2.104 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)s1 ZINC000451820511 560330633 /nfs/dbraw/zinc/33/06/33/560330633.db2.gz DNHYGXQIJSBZGY-QMMMGPOBSA-N -1 1 369.411 2.257 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000451949438 560340244 /nfs/dbraw/zinc/34/02/44/560340244.db2.gz XEHBKFSUWBEXNL-PELKAZGASA-N -1 1 351.346 2.114 20 0 FEADMM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000451964327 560340921 /nfs/dbraw/zinc/34/09/21/560340921.db2.gz IYACPXJPEXLJOK-LLVKDONJSA-N -1 1 370.215 2.431 20 0 FEADMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H](C)O ZINC000456193877 560510459 /nfs/dbraw/zinc/51/04/59/560510459.db2.gz PKHCYHUXIKXLRO-SUMWQHHRSA-N -1 1 362.451 2.377 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456561359 560524205 /nfs/dbraw/zinc/52/42/05/560524205.db2.gz UWIQCUHAECQVEX-HNNXBMFYSA-N -1 1 367.515 2.395 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)co1 ZINC000456824609 560533936 /nfs/dbraw/zinc/53/39/36/560533936.db2.gz FFIUNVCUIIMBRD-AWEZNQCLSA-N -1 1 370.377 2.443 20 0 FEADMM COC(=O)c1cccc2c1CCN(C(=O)c1c(C)[n-]c(=O)nc1SC)C2 ZINC000457221362 560556560 /nfs/dbraw/zinc/55/65/60/560556560.db2.gz QFHUSYRSOSGUSC-UHFFFAOYSA-N -1 1 373.434 2.198 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CCCCO2)c1 ZINC000457710209 560583269 /nfs/dbraw/zinc/58/32/69/560583269.db2.gz NXIKJJOERORFMK-QGZVFWFLSA-N -1 1 370.471 2.320 20 0 FEADMM CO[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C12CCC2 ZINC000458166667 560606397 /nfs/dbraw/zinc/60/63/97/560606397.db2.gz BUOUOCOEAJDLEP-OLZOCXBDSA-N -1 1 370.471 2.044 20 0 FEADMM CC(C)(C)c1nc(CNC(=O)N=c2[n-]nc(C=Cc3ccco3)s2)n[nH]1 ZINC000459451418 560687117 /nfs/dbraw/zinc/68/71/17/560687117.db2.gz BAWZTYDOXLLNHC-SREVYHEPSA-N -1 1 373.442 3.039 20 0 FEADMM COCCCn1cc(C)c(=NC(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)[nH]1 ZINC000459614861 560697819 /nfs/dbraw/zinc/69/78/19/560697819.db2.gz XZLOLGHEJUHTQK-UHFFFAOYSA-N -1 1 374.470 2.476 20 0 FEADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000460274553 560740401 /nfs/dbraw/zinc/74/04/01/560740401.db2.gz OXUPCRUGPBMRAR-NSHDSACASA-N -1 1 360.476 2.290 20 0 FEADMM COc1ccc(OC)c(CN2CCN(C(=O)c3ncc(C)cc3[O-])CC2)c1 ZINC000460289170 560740845 /nfs/dbraw/zinc/74/08/45/560740845.db2.gz JPBKAOAAMBPXIP-UHFFFAOYSA-N -1 1 371.437 2.071 20 0 FEADMM Cc1cnc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c([O-])c1 ZINC000460299575 560741054 /nfs/dbraw/zinc/74/10/54/560741054.db2.gz YLIPIPUIPSLZGY-MRXNPFEDSA-N -1 1 359.401 2.038 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000460443273 560743685 /nfs/dbraw/zinc/74/36/85/560743685.db2.gz JZEJOSRWCCDBBB-UHFFFAOYSA-N -1 1 362.407 2.257 20 0 FEADMM CSCC[C@H](NC(=O)c1ncc(C)cc1[O-])c1nnc2ccccn21 ZINC000460509140 560745153 /nfs/dbraw/zinc/74/51/53/560745153.db2.gz MGCXAXZLICFKPI-LBPRGKRZSA-N -1 1 357.439 2.363 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1 ZINC000460824145 560752730 /nfs/dbraw/zinc/75/27/30/560752730.db2.gz PRBBOICLIAGNIC-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM Cc1nc(C)c(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000461038379 560760240 /nfs/dbraw/zinc/76/02/40/560760240.db2.gz SCNCZAPXOVMMTQ-UHFFFAOYSA-N -1 1 371.484 2.360 20 0 FEADMM CC1(C)CCCc2sc(NC(=O)CNC(=O)c3ncccc3[O-])nc21 ZINC000461219234 560764280 /nfs/dbraw/zinc/76/42/80/560764280.db2.gz QXRZDNVGPYOVQJ-UHFFFAOYSA-N -1 1 360.439 2.226 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3cccnc32)c1 ZINC000461444740 560771736 /nfs/dbraw/zinc/77/17/36/560771736.db2.gz ABHKRNDLUXEUMV-UHFFFAOYSA-N -1 1 357.391 2.101 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c3cc(F)ccc32)c1 ZINC000461461491 560772513 /nfs/dbraw/zinc/77/25/13/560772513.db2.gz TVTQAIRMJOADPD-UHFFFAOYSA-N -1 1 363.370 2.173 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](c2ccncc2)C(C)C)c1 ZINC000461461692 560772573 /nfs/dbraw/zinc/77/25/73/560772573.db2.gz VJBSJXODEDWTBK-MRXNPFEDSA-N -1 1 363.439 2.074 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC12CCC(CC1)C2 ZINC000462066011 560794744 /nfs/dbraw/zinc/79/47/44/560794744.db2.gz QBZXPMDVCJBYNT-HQVVEAJESA-N -1 1 366.483 2.056 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1OC ZINC000462099692 560796904 /nfs/dbraw/zinc/79/69/04/560796904.db2.gz GYBUYZQHPAOUJK-QFIPXVFZSA-N -1 1 355.437 2.242 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2OC)o1 ZINC000462305740 560805036 /nfs/dbraw/zinc/80/50/36/560805036.db2.gz MEPZLIDAPOIPRG-RHSMWYFYSA-N -1 1 365.407 2.083 20 0 FEADMM CCc1cnc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000464134280 560833950 /nfs/dbraw/zinc/83/39/50/560833950.db2.gz WGZDPLYGTDIGTC-UHFFFAOYSA-N -1 1 371.484 2.305 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cn1C ZINC000467328914 560908756 /nfs/dbraw/zinc/90/87/56/560908756.db2.gz DADQUDNDYPJAIM-UHFFFAOYSA-N -1 1 352.412 2.320 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(CCC(C)C)n[nH]3)cc12 ZINC000469045285 560945737 /nfs/dbraw/zinc/94/57/37/560945737.db2.gz RXNSHOAKTPVUGH-UHFFFAOYSA-N -1 1 362.459 2.389 20 0 FEADMM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1ccc(Br)o1 ZINC000469063865 560946219 /nfs/dbraw/zinc/94/62/19/560946219.db2.gz WFTUWRHNIJERJL-QMMMGPOBSA-N -1 1 350.190 2.037 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2N(C)C)o1 ZINC000469086172 560946980 /nfs/dbraw/zinc/94/69/80/560946980.db2.gz RYJHPOJJTGGYJM-UHFFFAOYSA-N -1 1 352.412 2.001 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c(C)n1 ZINC000469968965 560970150 /nfs/dbraw/zinc/97/01/50/560970150.db2.gz HTNFXXNVCWYZMJ-UHFFFAOYSA-N -1 1 353.375 2.297 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)c1C ZINC000469982870 560970725 /nfs/dbraw/zinc/97/07/25/560970725.db2.gz NVHIUSDWNNXQPQ-UHFFFAOYSA-N -1 1 350.396 2.294 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000470971899 560995499 /nfs/dbraw/zinc/99/54/99/560995499.db2.gz MLAVXXSXRXABTA-UHFFFAOYSA-N -1 1 361.365 2.065 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000473200056 561044188 /nfs/dbraw/zinc/04/41/88/561044188.db2.gz VYZIGSJBBPGXGU-DZGCQCFKSA-N -1 1 373.409 2.103 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2csc(-c3ccsc3)n2)[n-]1 ZINC000474458955 561074765 /nfs/dbraw/zinc/07/47/65/561074765.db2.gz WBCSEDAILRSZBN-UHFFFAOYSA-N -1 1 356.454 2.110 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2csc(-c3ccsc3)n2)n[n-]1 ZINC000474458955 561074766 /nfs/dbraw/zinc/07/47/66/561074766.db2.gz WBCSEDAILRSZBN-UHFFFAOYSA-N -1 1 356.454 2.110 20 0 FEADMM CC(C)(NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000474998013 561087390 /nfs/dbraw/zinc/08/73/90/561087390.db2.gz ARRHVGANUPEUQK-ZJUUUORDSA-N -1 1 355.320 2.253 20 0 FEADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(COC)cc3)ccc2[nH]1 ZINC000475839200 561106725 /nfs/dbraw/zinc/10/67/25/561106725.db2.gz SCBXFBXWQUYWLH-UHFFFAOYSA-N -1 1 373.434 2.475 20 0 FEADMM CCOC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000475872291 561107048 /nfs/dbraw/zinc/10/70/48/561107048.db2.gz BGLFGJBMRQWLKW-GFCCVEGCSA-N -1 1 360.476 2.147 20 0 FEADMM CC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCC1 ZINC000476905571 561131637 /nfs/dbraw/zinc/13/16/37/561131637.db2.gz PBZHGPMEQINYHZ-UHFFFAOYSA-N -1 1 364.464 2.198 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N1CCCC1 ZINC000528561198 562336442 /nfs/dbraw/zinc/33/64/42/562336442.db2.gz RHHXDLINFBHRPP-UHFFFAOYSA-N -1 1 364.389 2.031 20 0 FEADMM C[C@@]1(Br)C[C@@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000528965390 562354550 /nfs/dbraw/zinc/35/45/50/562354550.db2.gz WUQQRDZBMZGUPI-PRHODGIISA-N -1 1 365.224 2.309 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529590776 562378290 /nfs/dbraw/zinc/37/82/90/562378290.db2.gz NPUUAXIMDCJKHC-BMFZPTHFSA-N -1 1 352.438 2.235 20 0 FEADMM O=C([O-])c1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cn1 ZINC000530161558 562400838 /nfs/dbraw/zinc/40/08/38/562400838.db2.gz CGMYWHHIMWXZSG-BFUOFWGJSA-N -1 1 369.425 2.064 20 0 FEADMM O=C([O-])c1cnc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cn1 ZINC000530161558 562400839 /nfs/dbraw/zinc/40/08/39/562400839.db2.gz CGMYWHHIMWXZSG-BFUOFWGJSA-N -1 1 369.425 2.064 20 0 FEADMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCO1 ZINC000530491542 562413397 /nfs/dbraw/zinc/41/33/97/562413397.db2.gz MLNYQTRGACOVKS-SECBINFHSA-N -1 1 371.261 2.132 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)on1 ZINC000530905832 562428228 /nfs/dbraw/zinc/42/82/28/562428228.db2.gz RWEMXGJAHSRWOF-SNVBAGLBSA-N -1 1 366.374 2.353 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1C(N)=O ZINC000531526919 562448690 /nfs/dbraw/zinc/44/86/90/562448690.db2.gz BFWCAYLXWJAJNF-UHFFFAOYSA-N -1 1 357.391 2.143 20 0 FEADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)[nH]n1 ZINC000531629315 562452121 /nfs/dbraw/zinc/45/21/21/562452121.db2.gz OMTVQIDGKAURFC-UHFFFAOYSA-N -1 1 364.427 2.130 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1cccc(F)c1F ZINC000531656910 562453012 /nfs/dbraw/zinc/45/30/12/562453012.db2.gz RRBDJJGMIAEJJX-UHFFFAOYSA-N -1 1 355.288 2.202 20 0 FEADMM CCC(CC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000531835041 562458346 /nfs/dbraw/zinc/45/83/46/562458346.db2.gz HRPFBGMIYSURNZ-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cncc(N2CCOCC2)c1 ZINC000533855050 562519870 /nfs/dbraw/zinc/51/98/70/562519870.db2.gz PTINWRWQSFTNRO-UHFFFAOYSA-N -1 1 365.393 2.266 20 0 FEADMM Cc1ccc(F)c(NS(=O)(=O)c2cn(CC(C)C)cn2)c1C(=O)[O-] ZINC000534146501 562526556 /nfs/dbraw/zinc/52/65/56/562526556.db2.gz DPYRLTAACSMJOD-UHFFFAOYSA-N -1 1 355.391 2.486 20 0 FEADMM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000534515866 562535566 /nfs/dbraw/zinc/53/55/66/562535566.db2.gz ZFQFIHJSSMGQRZ-JTQLQIEISA-N -1 1 366.386 2.402 20 0 FEADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000535041893 562549249 /nfs/dbraw/zinc/54/92/49/562549249.db2.gz GHXRQIBYTGVHKB-UHFFFAOYSA-N -1 1 360.395 2.162 20 0 FEADMM CC(C)(NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nn[n-]n1 ZINC000535385647 562557506 /nfs/dbraw/zinc/55/75/06/562557506.db2.gz JLJYKSWIQKAWHR-UHFFFAOYSA-N -1 1 350.382 2.117 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000535654167 562563375 /nfs/dbraw/zinc/56/33/75/562563375.db2.gz GMCKUMZCWIEOLH-UHFFFAOYSA-N -1 1 373.390 2.253 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000535685164 562564120 /nfs/dbraw/zinc/56/41/20/562564120.db2.gz FODJOXCCEZQQLZ-UHFFFAOYSA-N -1 1 357.334 2.045 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2c(Cl)cccc2Cl)co1 ZINC000535891332 562570394 /nfs/dbraw/zinc/57/03/94/562570394.db2.gz GRYJKXMVLYKDRA-UHFFFAOYSA-N -1 1 363.222 2.425 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)co1 ZINC000535897555 562570545 /nfs/dbraw/zinc/57/05/45/562570545.db2.gz YLZFDSXDVCWWAU-MWLCHTKSSA-N -1 1 368.377 2.286 20 0 FEADMM COC(=O)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)s1 ZINC000536940455 562582997 /nfs/dbraw/zinc/58/29/97/562582997.db2.gz OIGOERMXSCFNPY-UHFFFAOYSA-N -1 1 372.399 2.298 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)nn1-c1ccc(C)cc1 ZINC000540773144 562592819 /nfs/dbraw/zinc/59/28/19/562592819.db2.gz QICMTGIDVWGDLO-UHFFFAOYSA-N -1 1 351.414 2.202 20 0 FEADMM C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000541237543 562606816 /nfs/dbraw/zinc/60/68/16/562606816.db2.gz IHTBHNMVFXDMFT-JTQLQIEISA-N -1 1 367.696 2.475 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N(CCc1ccccc1)Cc1ccccc1 ZINC000546066751 562633245 /nfs/dbraw/zinc/63/32/45/562633245.db2.gz ZGQUADSFPOOOQI-UHFFFAOYSA-N -1 1 373.416 2.303 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nnsc3Cl)n2)cc1 ZINC000556063792 674386730 /nfs/dbraw/zinc/38/67/30/674386730.db2.gz MALLASWLQMNWDF-UHFFFAOYSA-N -1 1 355.832 2.259 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3nnsc3Cl)n[n-]2)cc1 ZINC000556063792 674386731 /nfs/dbraw/zinc/38/67/31/674386731.db2.gz MALLASWLQMNWDF-UHFFFAOYSA-N -1 1 355.832 2.259 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2CCSC)o1 ZINC000601717793 567824781 /nfs/dbraw/zinc/82/47/81/567824781.db2.gz FCXUPJAVLIUCOT-UHFFFAOYSA-N -1 1 354.453 2.346 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cn1 ZINC000601814008 567846537 /nfs/dbraw/zinc/84/65/37/567846537.db2.gz FAPCGKPISRDXJR-KRWDZBQOSA-N -1 1 359.393 2.213 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(F)c(SC)c2)n[n-]1 ZINC000603154909 568068477 /nfs/dbraw/zinc/06/84/77/568068477.db2.gz MNNRRJWEZUYFAW-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(F)c(SC)c2)[n-]1 ZINC000603154909 568068478 /nfs/dbraw/zinc/06/84/78/568068478.db2.gz MNNRRJWEZUYFAW-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(F)c(SC)c2)n1 ZINC000603154909 568068479 /nfs/dbraw/zinc/06/84/79/568068479.db2.gz MNNRRJWEZUYFAW-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cccc(Br)c2)n[n-]1 ZINC000603160313 568069269 /nfs/dbraw/zinc/06/92/69/568069269.db2.gz DHBMDLNHAYNIFQ-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccc(Br)c2)[n-]1 ZINC000603160313 568069270 /nfs/dbraw/zinc/06/92/70/568069270.db2.gz DHBMDLNHAYNIFQ-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccc(Br)c2)n1 ZINC000603160313 568069271 /nfs/dbraw/zinc/06/92/71/568069271.db2.gz DHBMDLNHAYNIFQ-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)c1F ZINC000603419416 568098943 /nfs/dbraw/zinc/09/89/43/568098943.db2.gz OFHHXJHTHOMORA-NWDGAFQWSA-N -1 1 363.382 2.451 20 0 FEADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)c2)n1 ZINC000604305134 568247191 /nfs/dbraw/zinc/24/71/91/568247191.db2.gz AZAXCGZMRILBRV-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000604601090 568323442 /nfs/dbraw/zinc/32/34/42/568323442.db2.gz GPBPBRIBHWROOC-QGZVFWFLSA-N -1 1 350.357 2.268 20 0 FEADMM CCCc1ccc(-c2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2)cc1 ZINC000606115591 568665437 /nfs/dbraw/zinc/66/54/37/568665437.db2.gz NWTQHBZOFMGICY-UHFFFAOYSA-N -1 1 364.409 2.074 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736117807 598848208 /nfs/dbraw/zinc/84/82/08/598848208.db2.gz HABMWWLYMJRHGF-LLVKDONJSA-N -1 1 361.365 2.408 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736117807 598848209 /nfs/dbraw/zinc/84/82/09/598848209.db2.gz HABMWWLYMJRHGF-LLVKDONJSA-N -1 1 361.365 2.408 20 0 FEADMM FC(F)(F)Cn1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000737628050 598971331 /nfs/dbraw/zinc/97/13/31/598971331.db2.gz VDHFVQKBXLVHNU-UHFFFAOYSA-N -1 1 361.291 2.312 20 0 FEADMM FC(F)(F)Cn1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000737628050 598971332 /nfs/dbraw/zinc/97/13/32/598971332.db2.gz VDHFVQKBXLVHNU-UHFFFAOYSA-N -1 1 361.291 2.312 20 0 FEADMM O=C(NCc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738094217 598994595 /nfs/dbraw/zinc/99/45/95/598994595.db2.gz DMVRCNSLDRLSMN-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM O=C(NCc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738094217 598994596 /nfs/dbraw/zinc/99/45/96/598994596.db2.gz DMVRCNSLDRLSMN-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738207465 598996480 /nfs/dbraw/zinc/99/64/80/598996480.db2.gz JHRNELNPKYBEJJ-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738207465 598996482 /nfs/dbraw/zinc/99/64/82/598996482.db2.gz JHRNELNPKYBEJJ-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM COCCCCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736981546 598997083 /nfs/dbraw/zinc/99/70/83/598997083.db2.gz MEQZVNFCPVXJIA-UHFFFAOYSA-N -1 1 366.425 2.331 20 0 FEADMM COCCCCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736981546 598997084 /nfs/dbraw/zinc/99/70/84/598997084.db2.gz MEQZVNFCPVXJIA-UHFFFAOYSA-N -1 1 366.425 2.331 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2cccc(OC(F)F)c21 ZINC000738259267 598998376 /nfs/dbraw/zinc/99/83/76/598998376.db2.gz PNXDWZUKUZJULG-UHFFFAOYSA-N -1 1 372.335 2.456 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2cccc(OC(F)F)c21 ZINC000738259267 598998378 /nfs/dbraw/zinc/99/83/78/598998378.db2.gz PNXDWZUKUZJULG-UHFFFAOYSA-N -1 1 372.335 2.456 20 0 FEADMM CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820039065 599339319 /nfs/dbraw/zinc/33/93/19/599339319.db2.gz UTBRENSSXSYOJE-GFCCVEGCSA-N -1 1 355.851 2.329 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(C)c2)C2CCOCC2)n1 ZINC000556671800 674411642 /nfs/dbraw/zinc/41/16/42/674411642.db2.gz QTLXLPBBMYCJFC-HNNXBMFYSA-N -1 1 369.418 2.272 20 0 FEADMM Cn1c(COC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2cc(Cl)ccc21 ZINC000737591358 599133338 /nfs/dbraw/zinc/13/33/38/599133338.db2.gz JOIQJJBSNZUHEL-UHFFFAOYSA-N -1 1 369.772 2.159 20 0 FEADMM Cn1c(COC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2cc(Cl)ccc21 ZINC000737591358 599133340 /nfs/dbraw/zinc/13/33/40/599133340.db2.gz JOIQJJBSNZUHEL-UHFFFAOYSA-N -1 1 369.772 2.159 20 0 FEADMM CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736636432 599136873 /nfs/dbraw/zinc/13/68/73/599136873.db2.gz IPOJMAHXPPMCLS-UHFFFAOYSA-N -1 1 367.365 2.220 20 0 FEADMM CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736636432 599136875 /nfs/dbraw/zinc/13/68/75/599136875.db2.gz IPOJMAHXPPMCLS-UHFFFAOYSA-N -1 1 367.365 2.220 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccccc1Cl ZINC000736157815 599140563 /nfs/dbraw/zinc/14/05/63/599140563.db2.gz NFBHQMYDLGYUIR-SECBINFHSA-N -1 1 372.772 2.099 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccccc1Cl ZINC000736157815 599140564 /nfs/dbraw/zinc/14/05/64/599140564.db2.gz NFBHQMYDLGYUIR-SECBINFHSA-N -1 1 372.772 2.099 20 0 FEADMM Cc1nc2ccccc2n1CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737489495 599152706 /nfs/dbraw/zinc/15/27/06/599152706.db2.gz IWZUYWUNLUZTIO-UHFFFAOYSA-N -1 1 363.381 2.167 20 0 FEADMM Cc1nc2ccccc2n1CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737489495 599152711 /nfs/dbraw/zinc/15/27/11/599152711.db2.gz IWZUYWUNLUZTIO-UHFFFAOYSA-N -1 1 363.381 2.167 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820698993 599348880 /nfs/dbraw/zinc/34/88/80/599348880.db2.gz XGQJNXWYRUEMEU-GHMZBOCLSA-N -1 1 353.423 2.205 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)C1 ZINC000819379897 597043033 /nfs/dbraw/zinc/04/30/33/597043033.db2.gz FSNSKJURISBJMH-SIJIIQCFSA-N -1 1 357.410 2.066 20 0 FEADMM C[C@@]1(C2CCCCC2)NC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818080403 597047573 /nfs/dbraw/zinc/04/75/73/597047573.db2.gz AINOUYXWJHHEPR-ACJLOTCBSA-N -1 1 351.447 2.021 20 0 FEADMM COc1cccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N(C)C)c1 ZINC000818620637 597284586 /nfs/dbraw/zinc/28/45/86/597284586.db2.gz FZLHTIIQIHPYEW-SFHVURJKSA-N -1 1 371.437 2.496 20 0 FEADMM Clc1ccc(NCc2cccc(-n3cncn3)c2)nc1-c1nnn[n-]1 ZINC000737576243 599269880 /nfs/dbraw/zinc/26/98/80/599269880.db2.gz ZRMKWOMAIUPXOZ-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2cccc(-n3cncn3)c2)nc1-c1nn[n-]n1 ZINC000737576243 599269882 /nfs/dbraw/zinc/26/98/82/599269882.db2.gz ZRMKWOMAIUPXOZ-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000737769710 599277106 /nfs/dbraw/zinc/27/71/06/599277106.db2.gz CEPIMBDADDURON-UHFFFAOYSA-N -1 1 353.386 2.045 20 0 FEADMM CCNC(=O)N1CCc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc21 ZINC000821284630 607318253 /nfs/dbraw/zinc/31/82/53/607318253.db2.gz GJXJQQQYTMFBMZ-UHFFFAOYSA-N -1 1 353.386 2.164 20 0 FEADMM CCNC(=O)N1CCc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc21 ZINC000821284630 607318254 /nfs/dbraw/zinc/31/82/54/607318254.db2.gz GJXJQQQYTMFBMZ-UHFFFAOYSA-N -1 1 353.386 2.164 20 0 FEADMM C[C@H]1CCN(C(=O)COC2CCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807706823 674424966 /nfs/dbraw/zinc/42/49/66/674424966.db2.gz VOOGOQXMISISSC-MJVIPROJSA-N -1 1 350.381 2.250 20 0 FEADMM FC(F)(F)CN1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737625714 598238455 /nfs/dbraw/zinc/23/84/55/598238455.db2.gz AOZCVYYMOYFOAG-UHFFFAOYSA-N -1 1 367.788 2.051 20 0 FEADMM FC(F)(F)CN1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737625714 598238456 /nfs/dbraw/zinc/23/84/56/598238456.db2.gz AOZCVYYMOYFOAG-UHFFFAOYSA-N -1 1 367.788 2.051 20 0 FEADMM O=S(=O)(Oc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738348057 598260006 /nfs/dbraw/zinc/26/00/06/598260006.db2.gz QYEXIWAHHBCAIH-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM O=S(=O)(Oc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738348057 598260008 /nfs/dbraw/zinc/26/00/08/598260008.db2.gz QYEXIWAHHBCAIH-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM CN(C[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736791355 598273811 /nfs/dbraw/zinc/27/38/11/598273811.db2.gz LTOWESIWDTXPPN-SNVBAGLBSA-N -1 1 358.789 2.191 20 0 FEADMM CN(C[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736791355 598273813 /nfs/dbraw/zinc/27/38/13/598273813.db2.gz LTOWESIWDTXPPN-SNVBAGLBSA-N -1 1 358.789 2.191 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000737098821 598354523 /nfs/dbraw/zinc/35/45/23/598354523.db2.gz FVBANVTZGJWOJZ-LLVKDONJSA-N -1 1 372.820 2.010 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000737098821 598354525 /nfs/dbraw/zinc/35/45/25/598354525.db2.gz FVBANVTZGJWOJZ-LLVKDONJSA-N -1 1 372.820 2.010 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000737775631 598430273 /nfs/dbraw/zinc/43/02/73/598430273.db2.gz FLTZSBAXYHROCY-BDAKNGLRSA-N -1 1 364.196 2.396 20 0 FEADMM CCCCC[C@@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736440910 598503514 /nfs/dbraw/zinc/50/35/14/598503514.db2.gz IMSRMEKZTKXIES-CYBMUJFWSA-N -1 1 368.441 2.267 20 0 FEADMM O=C(NC1CC1)c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000738020231 598575938 /nfs/dbraw/zinc/57/59/38/598575938.db2.gz MFRHOJWKNAOQDI-UHFFFAOYSA-N -1 1 369.816 2.419 20 0 FEADMM O=C(NC1CC1)c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000738020231 598575940 /nfs/dbraw/zinc/57/59/40/598575940.db2.gz MFRHOJWKNAOQDI-UHFFFAOYSA-N -1 1 369.816 2.419 20 0 FEADMM C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736205449 598662628 /nfs/dbraw/zinc/66/26/28/598662628.db2.gz WGUUFEDDFFQGCG-NSHDSACASA-N -1 1 361.402 2.388 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cnc(C)nc2)c1-c1nnn[n-]1 ZINC000737188533 598668814 /nfs/dbraw/zinc/66/88/14/598668814.db2.gz AUILXKVJYVKHND-UHFFFAOYSA-N -1 1 368.426 2.212 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cnc(C)nc2)c1-c1nn[n-]n1 ZINC000737188533 598668816 /nfs/dbraw/zinc/66/88/16/598668816.db2.gz AUILXKVJYVKHND-UHFFFAOYSA-N -1 1 368.426 2.212 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(Br)ccc1Cl ZINC000738372399 598795877 /nfs/dbraw/zinc/79/58/77/598795877.db2.gz PNULZPBNNWRVJJ-UHFFFAOYSA-N -1 1 366.606 2.493 20 0 FEADMM C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820684454 599326960 /nfs/dbraw/zinc/32/69/60/599326960.db2.gz PZQOSSUEBUSEHA-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820684454 599326964 /nfs/dbraw/zinc/32/69/64/599326964.db2.gz PZQOSSUEBUSEHA-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000822237532 599343352 /nfs/dbraw/zinc/34/33/52/599343352.db2.gz YBPFYBQUFJLUEY-UHFFFAOYSA-N -1 1 367.431 2.196 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000822237532 599343355 /nfs/dbraw/zinc/34/33/55/599343355.db2.gz YBPFYBQUFJLUEY-UHFFFAOYSA-N -1 1 367.431 2.196 20 0 FEADMM C[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820813213 599354723 /nfs/dbraw/zinc/35/47/23/599354723.db2.gz BFFJHLAMPWDGNZ-LLVKDONJSA-N -1 1 373.413 2.141 20 0 FEADMM C[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820813213 599354727 /nfs/dbraw/zinc/35/47/27/599354727.db2.gz BFFJHLAMPWDGNZ-LLVKDONJSA-N -1 1 373.413 2.141 20 0 FEADMM CC(=O)N1CCCCC[C@H]1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735466003 599433652 /nfs/dbraw/zinc/43/36/52/599433652.db2.gz OUDZNDJKWJSXSM-KRWDZBQOSA-N -1 1 369.473 2.269 20 0 FEADMM CC(=O)N1CCCCC[C@H]1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735466003 599433653 /nfs/dbraw/zinc/43/36/53/599433653.db2.gz OUDZNDJKWJSXSM-KRWDZBQOSA-N -1 1 369.473 2.269 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293625 599435910 /nfs/dbraw/zinc/43/59/10/599435910.db2.gz PEPFRFSBWHQYDV-RYUDHWBXSA-N -1 1 359.434 2.096 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293625 599435913 /nfs/dbraw/zinc/43/59/13/599435913.db2.gz PEPFRFSBWHQYDV-RYUDHWBXSA-N -1 1 359.434 2.096 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821971009 599440366 /nfs/dbraw/zinc/44/03/66/599440366.db2.gz VROHIVZHYFIGDH-UWVGGRQHSA-N -1 1 362.459 2.340 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808572601 674463502 /nfs/dbraw/zinc/46/35/02/674463502.db2.gz AHVJDXKRIRCCIW-UHFFFAOYSA-N -1 1 360.224 2.347 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC ZINC000821034762 599492303 /nfs/dbraw/zinc/49/23/03/599492303.db2.gz SWSXQOJCQQLVIM-CQSZACIVSA-N -1 1 374.401 2.163 20 0 FEADMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC ZINC000821034762 599492306 /nfs/dbraw/zinc/49/23/06/599492306.db2.gz SWSXQOJCQQLVIM-CQSZACIVSA-N -1 1 374.401 2.163 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(Cl)c1 ZINC000737909629 599498437 /nfs/dbraw/zinc/49/84/37/599498437.db2.gz WKUDOTZLOQWTEO-UHFFFAOYSA-N -1 1 361.720 2.094 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(Cl)c1 ZINC000737909629 599498439 /nfs/dbraw/zinc/49/84/39/599498439.db2.gz WKUDOTZLOQWTEO-UHFFFAOYSA-N -1 1 361.720 2.094 20 0 FEADMM O=C1CCCN1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000823530762 599551049 /nfs/dbraw/zinc/55/10/49/599551049.db2.gz QZQYNTJAZFZLND-CYBMUJFWSA-N -1 1 363.425 2.006 20 0 FEADMM O=C1CCCN1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000823530762 599551051 /nfs/dbraw/zinc/55/10/51/599551051.db2.gz QZQYNTJAZFZLND-CYBMUJFWSA-N -1 1 363.425 2.006 20 0 FEADMM Clc1ccccc1N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000822585888 599579777 /nfs/dbraw/zinc/57/97/77/599579777.db2.gz OCSCYZLCJROAAT-NSHDSACASA-N -1 1 356.821 2.391 20 0 FEADMM Clc1ccccc1N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000822585888 599579778 /nfs/dbraw/zinc/57/97/78/599579778.db2.gz OCSCYZLCJROAAT-NSHDSACASA-N -1 1 356.821 2.391 20 0 FEADMM CCCOC(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821128152 599651005 /nfs/dbraw/zinc/65/10/05/599651005.db2.gz QDHZFMVXMGDDQE-NSHDSACASA-N -1 1 373.369 2.057 20 0 FEADMM CCCOC(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821128152 599651006 /nfs/dbraw/zinc/65/10/06/599651006.db2.gz QDHZFMVXMGDDQE-NSHDSACASA-N -1 1 373.369 2.057 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000822004586 599652948 /nfs/dbraw/zinc/65/29/48/599652948.db2.gz JCZQLMWTNUMENX-AWEZNQCLSA-N -1 1 372.473 2.411 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)sc1C ZINC000557869426 674472773 /nfs/dbraw/zinc/47/27/73/674472773.db2.gz CRBLOCNLSUMJPA-NSHDSACASA-N -1 1 360.888 2.468 20 0 FEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CC1 ZINC000737112919 599724587 /nfs/dbraw/zinc/72/45/87/599724587.db2.gz OYWYNWSYLPRAGV-UHFFFAOYSA-N -1 1 360.863 2.143 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C2OCCO2)C1 ZINC000738522078 599810546 /nfs/dbraw/zinc/81/05/46/599810546.db2.gz ZVFUUNNLALAGBM-ZFWWWQNUSA-N -1 1 362.426 2.105 20 0 FEADMM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CCCC[C@@H]1CC(=O)[O-])C2=O ZINC000736751987 599840940 /nfs/dbraw/zinc/84/09/40/599840940.db2.gz ZBJIPPCSKZNLLY-PJIJBLCYSA-N -1 1 365.474 2.410 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000737650056 599852131 /nfs/dbraw/zinc/85/21/31/599852131.db2.gz KVVWYXDQBJQNBA-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM O=C([O-])COc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000739824514 599893795 /nfs/dbraw/zinc/89/37/95/599893795.db2.gz PPMCLFCFNZSFCY-UHFFFAOYSA-N -1 1 370.340 2.004 20 0 FEADMM O=C([O-])COc1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000739824514 599893796 /nfs/dbraw/zinc/89/37/96/599893796.db2.gz PPMCLFCFNZSFCY-UHFFFAOYSA-N -1 1 370.340 2.004 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc12 ZINC000588626218 599926559 /nfs/dbraw/zinc/92/65/59/599926559.db2.gz UDLMZNSJZVDBJJ-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C(N)=O ZINC000728854384 600069489 /nfs/dbraw/zinc/06/94/89/600069489.db2.gz USWNIUJCSPDKRT-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000736794486 600226512 /nfs/dbraw/zinc/22/65/12/600226512.db2.gz PJTSUBHCTWWDAT-AWEZNQCLSA-N -1 1 368.499 2.315 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736437048 600226643 /nfs/dbraw/zinc/22/66/43/600226643.db2.gz FAABVSCNNTWINT-UHFFFAOYSA-N -1 1 368.499 2.267 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)Nc1ccc(N3CCCC3)cc1)CC2 ZINC000739278531 600288438 /nfs/dbraw/zinc/28/84/38/600288438.db2.gz ONSJLOLFAAWPJU-QGZVFWFLSA-N -1 1 357.454 2.412 20 0 FEADMM COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCCC(=O)[O-])CC1 ZINC000584447853 600316687 /nfs/dbraw/zinc/31/66/87/600316687.db2.gz PCDSHVOQSIFQGI-MRXNPFEDSA-N -1 1 354.834 2.037 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccs1 ZINC000737358756 600339958 /nfs/dbraw/zinc/33/99/58/600339958.db2.gz PGSKGQIYRYVFSQ-STQMWFEESA-N -1 1 351.472 2.247 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390606516 600345455 /nfs/dbraw/zinc/34/54/55/600345455.db2.gz CVCQUYZFBPVOAT-AWEZNQCLSA-N -1 1 362.451 2.184 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000738901524 600366985 /nfs/dbraw/zinc/36/69/85/600366985.db2.gz BQVDYQXPRIXEJG-DOMZBBRYSA-N -1 1 358.442 2.469 20 0 FEADMM COC(=O)c1c(C)c(C)sc1NC(=O)CN(CCC(=O)[O-])C(C)C ZINC000737648306 600395055 /nfs/dbraw/zinc/39/50/55/600395055.db2.gz DMTMWJNWOLCWGJ-UHFFFAOYSA-N -1 1 356.444 2.275 20 0 FEADMM O=C([O-])c1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000392057936 600513285 /nfs/dbraw/zinc/51/32/85/600513285.db2.gz VGLIJICIHOFSPR-NWDGAFQWSA-N -1 1 353.806 2.023 20 0 FEADMM C[C@H](NC(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1)c1ccccc1Cl ZINC000736640222 600515459 /nfs/dbraw/zinc/51/54/59/600515459.db2.gz JQISVQQJKSDENS-UONOGXRCSA-N -1 1 368.861 2.473 20 0 FEADMM CC[C@@](C)(NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)C(=O)[O-] ZINC000736863776 600563641 /nfs/dbraw/zinc/56/36/41/600563641.db2.gz OVXLUDHLANGAMR-LJQANCHMSA-N -1 1 361.442 2.140 20 0 FEADMM CC(C)C1CCC2(CC1)NC(=O)N(CN(CCC(=O)[O-])C(C)C)C2=O ZINC000736390618 600608394 /nfs/dbraw/zinc/60/83/94/600608394.db2.gz KJAUCBHASFKFIM-UHFFFAOYSA-N -1 1 353.463 2.266 20 0 FEADMM CCOCC1(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000809248757 674488790 /nfs/dbraw/zinc/48/87/90/674488790.db2.gz JDHXHVUCYSAGSG-SRVKXCTJSA-N -1 1 350.381 2.107 20 0 FEADMM C[C@H](CNS(=O)(=O)c1csc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390678155 600744949 /nfs/dbraw/zinc/74/49/49/600744949.db2.gz YLWMUVDVLWJZER-GFCCVEGCSA-N -1 1 368.480 2.245 20 0 FEADMM CC(C)(CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)NS(C)(=O)=O ZINC000826606996 600748614 /nfs/dbraw/zinc/74/86/14/600748614.db2.gz FPFCABKGGUCLNU-LLVKDONJSA-N -1 1 369.270 2.037 20 0 FEADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCN1C ZINC000828170161 600759905 /nfs/dbraw/zinc/75/99/05/600759905.db2.gz XMISAUKZCGWFCY-CMPLNLGQSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3cc(C(=O)[O-])cs3)[nH]c2c1 ZINC000832958820 600792044 /nfs/dbraw/zinc/79/20/44/600792044.db2.gz LAYCEQMRQSGMKQ-UHFFFAOYSA-N -1 1 351.409 2.110 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3ccc(C(=O)[O-])cc3C)[nH]c2c1 ZINC000832959097 600792142 /nfs/dbraw/zinc/79/21/42/600792142.db2.gz PEYLBSCNCOGAED-UHFFFAOYSA-N -1 1 359.407 2.356 20 0 FEADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000828718406 600799136 /nfs/dbraw/zinc/79/91/36/600799136.db2.gz MIHYUCABWSMQLT-AUUYWEPGSA-N -1 1 362.470 2.490 20 0 FEADMM CCO[C@H]1C[C@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C12CCCCC2 ZINC000574577760 600972911 /nfs/dbraw/zinc/97/29/11/600972911.db2.gz FUFBCUXIEZZZOH-IRXDYDNUSA-N -1 1 366.502 2.369 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)cc(C(=O)[O-])c1 ZINC000737659245 600976858 /nfs/dbraw/zinc/97/68/58/600976858.db2.gz HRZBZEBJVIUDFI-KMUNFCNLSA-N -1 1 360.410 2.086 20 0 FEADMM C[C@@](NCCOc1ccc(C(=O)[O-])cc1Cl)(C(N)=O)c1ccccc1 ZINC000827734851 600992629 /nfs/dbraw/zinc/99/26/29/600992629.db2.gz MXESNRABCJTCHT-SFHVURJKSA-N -1 1 362.813 2.407 20 0 FEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c2c(n1)onc2C(C)C ZINC000832861969 601089155 /nfs/dbraw/zinc/08/91/55/601089155.db2.gz QEXHRNMBNVHWLF-CYBMUJFWSA-N -1 1 374.441 2.276 20 0 FEADMM Cc1noc2nc(C(C)C)cc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c12 ZINC000630226474 601100788 /nfs/dbraw/zinc/10/07/88/601100788.db2.gz WEYTXFJUOLNNTI-LBPRGKRZSA-N -1 1 374.441 2.276 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 ZINC000630221483 601103416 /nfs/dbraw/zinc/10/34/16/601103416.db2.gz BONSLKXQQOMHED-CYBMUJFWSA-N -1 1 363.845 2.302 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 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372.425 2.256 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000828707908 601170811 /nfs/dbraw/zinc/17/08/11/601170811.db2.gz IQTNLCPQCTTXTE-WDYCEAGBSA-N -1 1 361.486 2.203 20 0 FEADMM C[C@@](NCC(=O)N1CCC(OCc2ccccc2)CC1)(C(=O)[O-])C1CC1 ZINC000827727492 601172897 /nfs/dbraw/zinc/17/28/97/601172897.db2.gz KGYSFMXEXBTCIX-FQEVSTJZSA-N -1 1 360.454 2.037 20 0 FEADMM COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000831059354 601206350 /nfs/dbraw/zinc/20/63/50/601206350.db2.gz GJSNWHZWVRPFSY-FZKQIMNGSA-N -1 1 370.405 2.463 20 0 FEADMM CC(C)(CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)N1CCCCC1 ZINC000826611952 601216536 /nfs/dbraw/zinc/21/65/36/601216536.db2.gz VJHNMJPWZVLGLG-DHZHZOJOSA-N -1 1 366.483 2.327 20 0 FEADMM O=C([O-])c1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)ccn1 ZINC000833129893 601244977 /nfs/dbraw/zinc/24/49/77/601244977.db2.gz SNVKOUTYVQBCMR-UHFFFAOYSA-N -1 1 357.385 2.313 20 0 FEADMM CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000829759719 601249709 /nfs/dbraw/zinc/24/97/09/601249709.db2.gz KWGFQFAVKDOCRR-XJKSGUPXSA-N -1 1 368.499 2.495 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1F ZINC000831353112 601319139 /nfs/dbraw/zinc/31/91/39/601319139.db2.gz BUOFUBJCHTVYPA-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CCN1C[C@@H](C)O ZINC000829143413 601332909 /nfs/dbraw/zinc/33/29/09/601332909.db2.gz ZOEOIOGKDFCBKI-DOMZBBRYSA-N -1 1 350.419 2.085 20 0 FEADMM O=C([O-])C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000738608776 601376799 /nfs/dbraw/zinc/37/67/99/601376799.db2.gz IAOHJLXBFMGYQF-UHFFFAOYSA-N -1 1 351.200 2.271 20 0 FEADMM C[C@@H](CN(Cn1c(=O)oc2ccc(Br)cc21)C1CC1)C(=O)[O-] ZINC000827454518 601398294 /nfs/dbraw/zinc/39/82/94/601398294.db2.gz BWIHKRKURAYPFS-VIFPVBQESA-N -1 1 369.215 2.500 20 0 FEADMM Cc1nc(C[C@H]2CCCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)no1 ZINC000832998047 601399520 /nfs/dbraw/zinc/39/95/20/601399520.db2.gz BTDLVNRGIRVMHX-CYBMUJFWSA-N -1 1 355.398 2.338 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000579365269 601465484 /nfs/dbraw/zinc/46/54/84/601465484.db2.gz UIUCCBZMIUJUSK-LJQANCHMSA-N -1 1 374.481 2.033 20 0 FEADMM Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1Br ZINC000832990316 601481485 /nfs/dbraw/zinc/48/14/85/601481485.db2.gz VEWSUQPDCNFXCW-CYBMUJFWSA-N -1 1 364.199 2.305 20 0 FEADMM CCOc1ccc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1OCC ZINC000830080489 601517017 /nfs/dbraw/zinc/51/70/17/601517017.db2.gz NQYGJDPLBBNAHC-GXTWGEPZSA-N -1 1 350.415 2.075 20 0 FEADMM C[C@@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000828465379 601521645 /nfs/dbraw/zinc/52/16/45/601521645.db2.gz XLMQYCDMIIHWEY-IUODEOHRSA-N -1 1 359.451 2.477 20 0 FEADMM O=C([O-])[C@H]1c2ccccc2CCN1CC(=O)NCCc1c(F)cccc1F ZINC000662234519 601543506 /nfs/dbraw/zinc/54/35/06/601543506.db2.gz PFBTZHLIMJCTEW-LJQANCHMSA-N -1 1 374.387 2.308 20 0 FEADMM O=C([O-])[C@H]1c2ccccc2CCN1CC(=O)NCc1cc(F)cc(F)c1 ZINC000662233223 601546415 /nfs/dbraw/zinc/54/64/15/601546415.db2.gz KUZIWRSUMNTIIL-GOSISDBHSA-N -1 1 360.360 2.265 20 0 FEADMM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000826045434 601656455 /nfs/dbraw/zinc/65/64/55/601656455.db2.gz UBHKZYLKTLYAKQ-DJJJIMSYSA-N -1 1 367.405 2.023 20 0 FEADMM Cn1cc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000833049579 601761041 /nfs/dbraw/zinc/76/10/41/601761041.db2.gz QMZOAQIMLSGUHW-UHFFFAOYSA-N -1 1 368.349 2.137 20 0 FEADMM CS(=O)(=O)c1ccc(OCCCN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000652347641 601842818 /nfs/dbraw/zinc/84/28/18/601842818.db2.gz HYKGJMUFVUWNBG-UHFFFAOYSA-N -1 1 369.483 2.436 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832890697 601861228 /nfs/dbraw/zinc/86/12/28/601861228.db2.gz ASHKLYYIATYZRF-IBGZPJMESA-N -1 1 360.458 2.075 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000826487447 607531498 /nfs/dbraw/zinc/53/14/98/607531498.db2.gz OWBNDFSGAVNNEH-UHFFFAOYSA-N -1 1 369.328 2.254 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000826487447 607531500 /nfs/dbraw/zinc/53/15/00/607531500.db2.gz OWBNDFSGAVNNEH-UHFFFAOYSA-N -1 1 369.328 2.254 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000828020062 601919699 /nfs/dbraw/zinc/91/96/99/601919699.db2.gz IFNBHPOEKKOYLG-MAUKXSAKSA-N -1 1 359.451 2.145 20 0 FEADMM CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000829642694 601928044 /nfs/dbraw/zinc/92/80/44/601928044.db2.gz OHBBFNLLOAOQAA-NVXWUHKLSA-N -1 1 350.484 2.488 20 0 FEADMM Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000832980173 601928087 /nfs/dbraw/zinc/92/80/87/601928087.db2.gz WSMAFNXRZRFQJG-HOCLYGCPSA-N -1 1 350.484 2.234 20 0 FEADMM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738618555 601943576 /nfs/dbraw/zinc/94/35/76/601943576.db2.gz TZDUWGGRABFGQT-RDBSUJKOSA-N -1 1 351.472 2.390 20 0 FEADMM Cn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000826356521 607538052 /nfs/dbraw/zinc/53/80/52/607538052.db2.gz UXCBKEGUNOKIEF-UHFFFAOYSA-N -1 1 350.411 2.350 20 0 FEADMM Cn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000826356521 607538054 /nfs/dbraw/zinc/53/80/54/607538054.db2.gz UXCBKEGUNOKIEF-UHFFFAOYSA-N -1 1 350.411 2.350 20 0 FEADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000739582789 602054252 /nfs/dbraw/zinc/05/42/52/602054252.db2.gz NGQFJAMKLWLZBY-GJZGRUSLSA-N -1 1 364.446 2.200 20 0 FEADMM C[C@@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738914745 602096411 /nfs/dbraw/zinc/09/64/11/602096411.db2.gz FIDDJTULTOMLPF-MAUKXSAKSA-N -1 1 374.485 2.217 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccc(F)cc1 ZINC000739609632 602105564 /nfs/dbraw/zinc/10/55/64/602105564.db2.gz WWAPNCVXDBXARK-CJNGLKHVSA-N -1 1 366.437 2.118 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccc(F)cc1 ZINC000739609635 602105745 /nfs/dbraw/zinc/10/57/45/602105745.db2.gz WWAPNCVXDBXARK-CZUORRHYSA-N -1 1 366.437 2.118 20 0 FEADMM Cc1cc(C(=O)NC(C)C)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826258790 607549706 /nfs/dbraw/zinc/54/97/06/607549706.db2.gz WZRCZEGHHVLHCB-UHFFFAOYSA-N -1 1 351.414 2.320 20 0 FEADMM Cc1cc(C(=O)NC(C)C)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826258790 607549707 /nfs/dbraw/zinc/54/97/07/607549707.db2.gz WZRCZEGHHVLHCB-UHFFFAOYSA-N -1 1 351.414 2.320 20 0 FEADMM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000739298731 602124330 /nfs/dbraw/zinc/12/43/30/602124330.db2.gz GNQUMEFSQZFBNX-IBGZPJMESA-N -1 1 362.474 2.199 20 0 FEADMM C[S@](=O)Cc1ccc(Cl)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826225248 607552038 /nfs/dbraw/zinc/55/20/38/607552038.db2.gz WYJIULYTSFFUTE-DEOSSOPVSA-N -1 1 362.846 2.406 20 0 FEADMM C[S@](=O)Cc1ccc(Cl)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826225248 607552039 /nfs/dbraw/zinc/55/20/39/607552039.db2.gz WYJIULYTSFFUTE-DEOSSOPVSA-N -1 1 362.846 2.406 20 0 FEADMM CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000829658403 602225144 /nfs/dbraw/zinc/22/51/44/602225144.db2.gz FVKSUGODPACFMS-MRXNPFEDSA-N -1 1 363.458 2.196 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000832908098 602245308 /nfs/dbraw/zinc/24/53/08/602245308.db2.gz RNIFCPGDKYYRFP-ZDUSSCGKSA-N -1 1 360.439 2.195 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000611103513 602321356 /nfs/dbraw/zinc/32/13/56/602321356.db2.gz WQDZAPNQVGCLPI-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCN1CCOC ZINC000829141479 602370160 /nfs/dbraw/zinc/37/01/60/602370160.db2.gz MCRCKHYQQSRLLP-ZDUSSCGKSA-N -1 1 353.394 2.098 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000826886379 602373117 /nfs/dbraw/zinc/37/31/17/602373117.db2.gz WNWZFLXRWRXBFA-ZDUSSCGKSA-N -1 1 353.394 2.002 20 0 FEADMM CN(CC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1)C(=O)[O-] ZINC000739661096 602380900 /nfs/dbraw/zinc/38/09/00/602380900.db2.gz SIMAWFNYOYMDKJ-UHFFFAOYSA-N -1 1 359.470 2.499 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000739014883 602451027 /nfs/dbraw/zinc/45/10/27/602451027.db2.gz HHBLAJVLNQVIKB-STQMWFEESA-N -1 1 351.422 2.199 20 0 FEADMM CCCN(CC(=O)N[C@H](C)c1ccccc1OC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352630 602545046 /nfs/dbraw/zinc/54/50/46/602545046.db2.gz DSMIEFWZROLRTI-HUUCEWRRSA-N -1 1 363.458 2.337 20 0 FEADMM O=S(=O)(NCCC1=CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490765 607574274 /nfs/dbraw/zinc/57/42/74/607574274.db2.gz GZGJTNDNQQKJDS-UHFFFAOYSA-N -1 1 351.407 2.175 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000740670034 602597147 /nfs/dbraw/zinc/59/71/47/602597147.db2.gz HSMYBAGTJMVASR-OAHLLOKOSA-N -1 1 362.430 2.035 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NC[C@@H](NC(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000740117211 602802143 /nfs/dbraw/zinc/80/21/43/602802143.db2.gz IKVUPQRKCVXROS-CABCVRRESA-N -1 1 366.462 2.316 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H]1c1ccccc1 ZINC000826496401 607589535 /nfs/dbraw/zinc/58/95/35/607589535.db2.gz VCLCMPBZMHUVBX-ZDUSSCGKSA-N -1 1 359.386 2.142 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H]1c1ccccc1 ZINC000826496401 607589536 /nfs/dbraw/zinc/58/95/36/607589536.db2.gz VCLCMPBZMHUVBX-ZDUSSCGKSA-N -1 1 359.386 2.142 20 0 FEADMM C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1 ZINC000739613921 602850939 /nfs/dbraw/zinc/85/09/39/602850939.db2.gz VTDSLZWJPHRYFW-UHFFFAOYSA-N -1 1 373.409 2.353 20 0 FEADMM C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)NC(=O)[O-] ZINC000824624239 602938438 /nfs/dbraw/zinc/93/84/38/602938438.db2.gz YMKRQQYGXWYOGB-RISCZKNCSA-N -1 1 373.375 2.442 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)N1CCN(C2CCC2)CC1)C1CCCCC1 ZINC000740614820 602967817 /nfs/dbraw/zinc/96/78/17/602967817.db2.gz VEXNUMFULFWTSL-MRXNPFEDSA-N -1 1 352.479 2.083 20 0 FEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000739194660 602994243 /nfs/dbraw/zinc/99/42/43/602994243.db2.gz BJXXMYMWLRTJAL-YJBOKZPZSA-N -1 1 374.485 2.265 20 0 FEADMM CC(C)N(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824297121 607600053 /nfs/dbraw/zinc/60/00/53/607600053.db2.gz QQODPZFWABXDGL-UHFFFAOYSA-N -1 1 365.390 2.198 20 0 FEADMM CN(C[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000828200721 603009110 /nfs/dbraw/zinc/00/91/10/603009110.db2.gz YUCXLICMDQTYAG-CABCVRRESA-N -1 1 364.446 2.200 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)Nc3ccc(NC(=O)[O-])nc3)cc2)CC1 ZINC000739737759 603139074 /nfs/dbraw/zinc/13/90/74/603139074.db2.gz RJXUBPKLKQJQQW-UHFFFAOYSA-N -1 1 369.425 2.171 20 0 FEADMM O=C(O[C@@H](c1ccccn1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462456 607621161 /nfs/dbraw/zinc/62/11/61/607621161.db2.gz YUGQJDBAQBQIGW-NSHDSACASA-N -1 1 350.260 2.117 20 0 FEADMM O=C(O[C@@H](c1ccccn1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462456 607621162 /nfs/dbraw/zinc/62/11/62/607621162.db2.gz YUGQJDBAQBQIGW-NSHDSACASA-N -1 1 350.260 2.117 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)C[C@H](C)NC(=O)[O-])N1CCCCC1 ZINC000829593420 603369738 /nfs/dbraw/zinc/36/97/38/603369738.db2.gz ZSLXSCJITMFQTK-GOEBONIOSA-N -1 1 363.458 2.385 20 0 FEADMM CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000739606829 603384170 /nfs/dbraw/zinc/38/41/70/603384170.db2.gz JDNIUZXRYKFODA-INIZCTEOSA-N -1 1 370.409 2.134 20 0 FEADMM CCN(CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)C(=O)[O-] ZINC000739388864 603429364 /nfs/dbraw/zinc/42/93/64/603429364.db2.gz DCEYCNWRDPYQAU-UHFFFAOYSA-N -1 1 357.414 2.178 20 0 FEADMM CCN(CC1CCN(CC(=O)NCc2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000827093663 603513077 /nfs/dbraw/zinc/51/30/77/603513077.db2.gz QGYTZUJWPKVZDL-UHFFFAOYSA-N -1 1 363.458 2.023 20 0 FEADMM Cc1ccc2nc(CNC(=O)C3(NC(=O)[O-])Cc4ccccc4C3)[nH]c2c1 ZINC000830433297 603529535 /nfs/dbraw/zinc/52/95/35/603529535.db2.gz SUEBNQJZRLPCPJ-UHFFFAOYSA-N -1 1 364.405 2.293 20 0 FEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000829592812 603582119 /nfs/dbraw/zinc/58/21/19/603582119.db2.gz UVLSOEXKWGPQGT-CABCVRRESA-N -1 1 363.458 2.289 20 0 FEADMM C[C@H](N(C)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C(C)(C)C ZINC000825056186 603591175 /nfs/dbraw/zinc/59/11/75/603591175.db2.gz PNPKXKBSSFEAGQ-JCGVRSQUSA-N -1 1 368.478 2.059 20 0 FEADMM C[C@H](N(C)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C(C)(C)C ZINC000825056189 603591234 /nfs/dbraw/zinc/59/12/34/603591234.db2.gz PNPKXKBSSFEAGQ-ZJNRKIDTSA-N -1 1 368.478 2.059 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3cccc(C)c32)c(-c2nn[n-]n2)c1C ZINC000826305066 607643568 /nfs/dbraw/zinc/64/35/68/607643568.db2.gz JIMPDKCRZFOSLV-UHFFFAOYSA-N -1 1 352.398 2.386 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000826035394 603829990 /nfs/dbraw/zinc/82/99/90/603829990.db2.gz VRSHTEYBXXPLFG-SUMWQHHRSA-N -1 1 354.410 2.365 20 0 FEADMM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])Nc1nc(-c2ccccn2)n[nH]1 ZINC000831313536 603846953 /nfs/dbraw/zinc/84/69/53/603846953.db2.gz JKNSONDQMBMWLX-YOGCLGLASA-N -1 1 356.386 2.116 20 0 FEADMM CS(=O)(=O)c1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000829695560 603855725 /nfs/dbraw/zinc/85/57/25/603855725.db2.gz IEWUSIPDBKRKCU-UHFFFAOYSA-N -1 1 360.435 2.420 20 0 FEADMM CC(C)(CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000823930144 603886502 /nfs/dbraw/zinc/88/65/02/603886502.db2.gz DXVPTWUYLJIUIO-ZDUSSCGKSA-N -1 1 352.435 2.152 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-])c1cccc(F)c1 ZINC000827994482 603887391 /nfs/dbraw/zinc/88/73/91/603887391.db2.gz LEIFLUWHQHBNQH-VNQPRFMTSA-N -1 1 366.437 2.164 20 0 FEADMM Cc1ccc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cn1 ZINC000830287874 603909494 /nfs/dbraw/zinc/90/94/94/603909494.db2.gz BAPUQJUTZQQBQS-UHFFFAOYSA-N -1 1 366.381 2.124 20 0 FEADMM Cc1ccc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cn1 ZINC000830287874 603909496 /nfs/dbraw/zinc/90/94/96/603909496.db2.gz BAPUQJUTZQQBQS-UHFFFAOYSA-N -1 1 366.381 2.124 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000829834552 603939587 /nfs/dbraw/zinc/93/95/87/603939587.db2.gz UFKZYADMKQWQEI-UHFFFAOYSA-N -1 1 370.331 2.477 20 0 FEADMM CN(CC(=O)N(C)c1nc2ccccc2s1)C1CCN(C(=O)[O-])CC1 ZINC000827764267 603990652 /nfs/dbraw/zinc/99/06/52/603990652.db2.gz BIHPIVYPAFNFIG-UHFFFAOYSA-N -1 1 362.455 2.333 20 0 FEADMM CC1(C)CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824803809 607668750 /nfs/dbraw/zinc/66/87/50/607668750.db2.gz XLQIQIGDHSPZMV-LBPRGKRZSA-N -1 1 353.423 2.253 20 0 FEADMM CC1(C)CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824803809 607668752 /nfs/dbraw/zinc/66/87/52/607668752.db2.gz XLQIQIGDHSPZMV-LBPRGKRZSA-N -1 1 353.423 2.253 20 0 FEADMM CC1(C)CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C(C)(C)CO1 ZINC000825735431 604055781 /nfs/dbraw/zinc/05/57/81/604055781.db2.gz YJJNJNLZOLAMOK-HOTGVXAUSA-N -1 1 350.459 2.116 20 0 FEADMM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000824832964 604137994 /nfs/dbraw/zinc/13/79/94/604137994.db2.gz LAAZQHHZDPBSDE-ZDUSSCGKSA-N -1 1 371.441 2.424 20 0 FEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1C[C@H]2CCC[C@H]21 ZINC000826494721 607674877 /nfs/dbraw/zinc/67/48/77/607674877.db2.gz MQHBMCRUPSOCPU-LDYMZIIASA-N -1 1 373.360 2.059 20 0 FEADMM CCOc1cccc(CNC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000827448102 604164495 /nfs/dbraw/zinc/16/44/95/604164495.db2.gz IQIJZFVQHZVKCR-GOEBONIOSA-N -1 1 363.458 2.070 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000825264653 604195542 /nfs/dbraw/zinc/19/55/42/604195542.db2.gz MLDAYKFYVJSPHU-GXTWGEPZSA-N -1 1 353.850 2.324 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)[O-])[nH]c2c1 ZINC000830433446 604196197 /nfs/dbraw/zinc/19/61/97/604196197.db2.gz UKZFSMZDQLQJBD-CHWSQXEVSA-N -1 1 359.430 2.497 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000825252675 604203081 /nfs/dbraw/zinc/20/30/81/604203081.db2.gz FTTXOESKRCAGFR-JWMYSTGGSA-N -1 1 363.502 2.440 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)n[nH]2)c1 ZINC000832510505 604276992 /nfs/dbraw/zinc/27/69/92/604276992.db2.gz RFMJUMIFVQMWRS-CQSZACIVSA-N -1 1 355.394 2.412 20 0 FEADMM C[C@@H](CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826057880 604297031 /nfs/dbraw/zinc/29/70/31/604297031.db2.gz KRIKTGUCGPTWSZ-NXOAAHMSSA-N -1 1 369.506 2.018 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000832668436 604332481 /nfs/dbraw/zinc/33/24/81/604332481.db2.gz LMUDPYNKTDBPED-AWEZNQCLSA-N -1 1 359.386 2.255 20 0 FEADMM C[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824566406 604357249 /nfs/dbraw/zinc/35/72/49/604357249.db2.gz ZRJQOUZTHKWAFR-TWMKSMIVSA-N -1 1 351.491 2.488 20 0 FEADMM O=C([O-])c1c(C2CC2)csc1NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000833161513 604423809 /nfs/dbraw/zinc/42/38/09/604423809.db2.gz DUTYOKBTKAQMFH-NSHDSACASA-N -1 1 374.422 2.179 20 0 FEADMM COc1cccc(-c2cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])n[nH]2)c1 ZINC000832510127 604436026 /nfs/dbraw/zinc/43/60/26/604436026.db2.gz AVPQLRUPWOESQS-MRXNPFEDSA-N -1 1 361.398 2.036 20 0 FEADMM CN(CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1nc2ccccc2o1 ZINC000830772305 604439421 /nfs/dbraw/zinc/43/94/21/604439421.db2.gz GNXHKAQQHYTYNF-SXGWCWSVSA-N -1 1 361.423 2.151 20 0 FEADMM CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833669796 604502316 /nfs/dbraw/zinc/50/23/16/604502316.db2.gz ZQIPWVCJAVCSOW-UHFFFAOYSA-N -1 1 373.390 2.307 20 0 FEADMM O=C([O-])N1CCC(n2cccc2C(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000831768596 604525969 /nfs/dbraw/zinc/52/59/69/604525969.db2.gz UETUIYXHGDFLCH-UHFFFAOYSA-N -1 1 354.370 2.327 20 0 FEADMM CN1CCC2(CCCN2S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833698813 604552279 /nfs/dbraw/zinc/55/22/79/604552279.db2.gz WYQXOWBYFICKQF-UHFFFAOYSA-N -1 1 372.874 2.287 20 0 FEADMM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000559059489 674526047 /nfs/dbraw/zinc/52/60/47/674526047.db2.gz HDHUODVVNUXTIX-ZYHUDNBSSA-N -1 1 369.409 2.168 20 0 FEADMM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000833411516 604662575 /nfs/dbraw/zinc/66/25/75/604662575.db2.gz PBISUDQLLFFSGP-ABAIWWIYSA-N -1 1 370.365 2.320 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1Cn1cnc2ccccc21)C(=O)[O-] ZINC000833639656 604718696 /nfs/dbraw/zinc/71/86/96/604718696.db2.gz QAWLNDCYSYWFDF-DOXZYTNZSA-N -1 1 372.469 2.116 20 0 FEADMM CC[C@@]1(C(C)C)NC(=O)N(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833645527 604868940 /nfs/dbraw/zinc/86/89/40/604868940.db2.gz HQLTWJOOXKCLIE-UGSOOPFHSA-N -1 1 353.463 2.123 20 0 FEADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCN1C ZINC000833595789 605002895 /nfs/dbraw/zinc/00/28/95/605002895.db2.gz IAJYQAGRSMNIEA-WDEREUQCSA-N -1 1 360.863 2.141 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000833512947 605003401 /nfs/dbraw/zinc/00/34/01/605003401.db2.gz WTCGUBIDSAIUAM-DHHDDZJSSA-N -1 1 364.427 2.065 20 0 FEADMM C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC000833550319 605020223 /nfs/dbraw/zinc/02/02/23/605020223.db2.gz WGPTXWFZBWTJQY-HOCLYGCPSA-N -1 1 374.462 2.499 20 0 FEADMM CCOc1ccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833662679 605037509 /nfs/dbraw/zinc/03/75/09/605037509.db2.gz KBFDXUOUVZOCEK-CYBMUJFWSA-N -1 1 351.472 2.263 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000833618971 605160933 /nfs/dbraw/zinc/16/09/33/605160933.db2.gz HRGORHMQOISNEZ-GFUIURDCSA-N -1 1 365.499 2.461 20 0 FEADMM C[C@@](CNC(=O)[O-])(NCC(=O)Nc1nc(-c2ccco2)cs1)C1CC1 ZINC000824952170 605164113 /nfs/dbraw/zinc/16/41/13/605164113.db2.gz LFLSFIHNFONEJK-INIZCTEOSA-N -1 1 364.427 2.368 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OC(F)(F)F ZINC000833623881 605165226 /nfs/dbraw/zinc/16/52/26/605165226.db2.gz GRLQXIRZLIHNIB-LLVKDONJSA-N -1 1 360.332 2.206 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OC(F)(F)F ZINC000833623884 605165250 /nfs/dbraw/zinc/16/52/50/605165250.db2.gz GRLQXIRZLIHNIB-NSHDSACASA-N -1 1 360.332 2.206 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000833628726 605198398 /nfs/dbraw/zinc/19/83/98/605198398.db2.gz OPMNLGXRJIKQTP-GFCCVEGCSA-N -1 1 373.375 2.125 20 0 FEADMM CCCCC[C@@H]1CCCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000826820052 605238914 /nfs/dbraw/zinc/23/89/14/605238914.db2.gz JOJLHDHBRCOXFE-CQSZACIVSA-N -1 1 366.462 2.053 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCN1CCC(=O)[O-] ZINC000833618445 605251689 /nfs/dbraw/zinc/25/16/89/605251689.db2.gz OFNJDIWGYQQTAT-BNOWGMLFSA-N -1 1 352.381 2.076 20 0 FEADMM Cc1cc(Cl)ccc1OCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833745046 605253203 /nfs/dbraw/zinc/25/32/03/605253203.db2.gz ZSDWZDLNTNIQKD-CYBMUJFWSA-N -1 1 354.834 2.035 20 0 FEADMM CC(C)(O)CN1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833462564 605264250 /nfs/dbraw/zinc/26/42/50/605264250.db2.gz FFUDZEOQHWHMNT-CQSZACIVSA-N -1 1 360.376 2.220 20 0 FEADMM COC(=O)c1cc(NC(=O)CN[C@H](C)c2cnccc2C)cc(C(=O)[O-])c1 ZINC000833714695 605271694 /nfs/dbraw/zinc/27/16/94/605271694.db2.gz JCSZDPFQSROPRD-GFCCVEGCSA-N -1 1 371.393 2.164 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccnc(Cl)c2)c1 ZINC000833714897 605302646 /nfs/dbraw/zinc/30/26/46/605302646.db2.gz KDPCXYADBYTJBA-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C)c1ccco1 ZINC000827035090 605385643 /nfs/dbraw/zinc/38/56/43/605385643.db2.gz JDYWMTDZSRQRCK-QLFBSQMISA-N -1 1 366.462 2.493 20 0 FEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000834239683 605564991 /nfs/dbraw/zinc/56/49/91/605564991.db2.gz DXEUJEJHTWKCLH-CYBMUJFWSA-N -1 1 366.487 2.006 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000826057388 605573409 /nfs/dbraw/zinc/57/34/09/605573409.db2.gz IHAZWNREYQENKS-BFYDXBDKSA-N -1 1 363.458 2.001 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC(C)(C)CNC(=O)[O-])c1ccc(Cl)cc1 ZINC000827994863 605649248 /nfs/dbraw/zinc/64/92/48/605649248.db2.gz OBMLJQBUIHGQIP-ZDUSSCGKSA-N -1 1 356.854 2.288 20 0 FEADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000831803057 605724671 /nfs/dbraw/zinc/72/46/71/605724671.db2.gz ZFASZRJYDQGEPG-KRWDZBQOSA-N -1 1 363.377 2.483 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000833833199 605890940 /nfs/dbraw/zinc/89/09/40/605890940.db2.gz XAGBHGLIHAFYDV-TYNCELHUSA-N -1 1 351.834 2.423 20 0 FEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000834132350 606004425 /nfs/dbraw/zinc/00/44/25/606004425.db2.gz LBZCVDUEJSVSKR-CQSZACIVSA-N -1 1 355.385 2.012 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1)C1CCOCC1 ZINC000833792040 606063102 /nfs/dbraw/zinc/06/31/02/606063102.db2.gz YFYNZZSFBHTXQM-LLVKDONJSA-N -1 1 373.413 2.241 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1)C1CCOCC1 ZINC000833792040 606063108 /nfs/dbraw/zinc/06/31/08/606063108.db2.gz YFYNZZSFBHTXQM-LLVKDONJSA-N -1 1 373.413 2.241 20 0 FEADMM O=C([O-])NC1CCC(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834162726 606094739 /nfs/dbraw/zinc/09/47/39/606094739.db2.gz GMOZMVZQCSGENT-MOKVOYLWSA-N -1 1 361.446 2.215 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834166134 606094790 /nfs/dbraw/zinc/09/47/90/606094790.db2.gz CZAUEPFNEBRDKK-MELADBBJSA-N -1 1 361.446 2.215 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821446428 606104792 /nfs/dbraw/zinc/10/47/92/606104792.db2.gz AKNKISVXXJPZQH-PVJNZWLOSA-N -1 1 360.896 2.468 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821446428 606104795 /nfs/dbraw/zinc/10/47/95/606104795.db2.gz AKNKISVXXJPZQH-PVJNZWLOSA-N -1 1 360.896 2.468 20 0 FEADMM CC(=O)c1ccccc1OCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819844401 606133665 /nfs/dbraw/zinc/13/36/65/606133665.db2.gz GPGPXFRGHALHMI-UHFFFAOYSA-N -1 1 358.379 2.367 20 0 FEADMM CC(=O)c1ccccc1OCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819844401 606133666 /nfs/dbraw/zinc/13/36/66/606133666.db2.gz GPGPXFRGHALHMI-UHFFFAOYSA-N -1 1 358.379 2.367 20 0 FEADMM O=C(O[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823392769 606138447 /nfs/dbraw/zinc/13/84/47/606138447.db2.gz UCIPYIFQAYKQFK-GFCCVEGCSA-N -1 1 369.406 2.281 20 0 FEADMM O=C(O[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823392769 606138448 /nfs/dbraw/zinc/13/84/48/606138448.db2.gz UCIPYIFQAYKQFK-GFCCVEGCSA-N -1 1 369.406 2.281 20 0 FEADMM Cc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)cc1C ZINC000822235963 606158959 /nfs/dbraw/zinc/15/89/59/606158959.db2.gz DJCXPTSDXALCIB-UHFFFAOYSA-N -1 1 366.429 2.414 20 0 FEADMM Cc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)cc1C ZINC000822235963 606158961 /nfs/dbraw/zinc/15/89/61/606158961.db2.gz DJCXPTSDXALCIB-UHFFFAOYSA-N -1 1 366.429 2.414 20 0 FEADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000820026926 606161828 /nfs/dbraw/zinc/16/18/28/606161828.db2.gz NEZYZVYSSXMNPQ-CYBMUJFWSA-N -1 1 358.381 2.258 20 0 FEADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000820026926 606161830 /nfs/dbraw/zinc/16/18/30/606161830.db2.gz NEZYZVYSSXMNPQ-CYBMUJFWSA-N -1 1 358.381 2.258 20 0 FEADMM CC(C)N(Cc1ccccc1F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820121918 606172183 /nfs/dbraw/zinc/17/21/83/606172183.db2.gz VWNHWEPTNVFECR-UHFFFAOYSA-N -1 1 358.381 2.182 20 0 FEADMM CC(C)N(Cc1ccccc1F)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820121918 606172184 /nfs/dbraw/zinc/17/21/84/606172184.db2.gz VWNHWEPTNVFECR-UHFFFAOYSA-N -1 1 358.381 2.182 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668130 606172190 /nfs/dbraw/zinc/17/21/90/606172190.db2.gz QAKZPGKTGIMACH-QMTHXVAHSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668130 606172192 /nfs/dbraw/zinc/17/21/92/606172192.db2.gz QAKZPGKTGIMACH-QMTHXVAHSA-N -1 1 370.392 2.354 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc3ccccc3s2)n1 ZINC000822620196 606172325 /nfs/dbraw/zinc/17/23/25/606172325.db2.gz LGUFVNWKRJMKRF-UHFFFAOYSA-N -1 1 354.399 2.137 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc3ccccc3s2)n1 ZINC000822620196 606172327 /nfs/dbraw/zinc/17/23/27/606172327.db2.gz LGUFVNWKRJMKRF-UHFFFAOYSA-N -1 1 354.399 2.137 20 0 FEADMM COc1ccc2c(ccn2CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821854465 606195212 /nfs/dbraw/zinc/19/52/12/606195212.db2.gz KISBQLNQAVIFFZ-UHFFFAOYSA-N -1 1 364.365 2.174 20 0 FEADMM CCOc1ccc(OCC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1 ZINC000821427197 606237391 /nfs/dbraw/zinc/23/73/91/606237391.db2.gz NZSMATRVLYNVSU-UHFFFAOYSA-N -1 1 374.426 2.072 20 0 FEADMM CCOc1ccc(OCC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821427197 606237394 /nfs/dbraw/zinc/23/73/94/606237394.db2.gz NZSMATRVLYNVSU-UHFFFAOYSA-N -1 1 374.426 2.072 20 0 FEADMM CCC[C@H](CCO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821022242 606288506 /nfs/dbraw/zinc/28/85/06/606288506.db2.gz QGKLEIOMCJFOKU-CYBMUJFWSA-N -1 1 372.429 2.087 20 0 FEADMM CCC[C@H](CCO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821022242 606288508 /nfs/dbraw/zinc/28/85/08/606288508.db2.gz QGKLEIOMCJFOKU-CYBMUJFWSA-N -1 1 372.429 2.087 20 0 FEADMM Cc1nn(-c2ccccc2)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822486447 606294399 /nfs/dbraw/zinc/29/43/99/606294399.db2.gz KHCWHLPDFWIJJQ-UHFFFAOYSA-N -1 1 361.365 2.319 20 0 FEADMM CC[C@H](C)CN(CC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820870231 606300275 /nfs/dbraw/zinc/30/02/75/606300275.db2.gz PHNRMNIEWPXJMD-NSHDSACASA-N -1 1 360.462 2.411 20 0 FEADMM CNS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1 ZINC000810192306 674536334 /nfs/dbraw/zinc/53/63/34/674536334.db2.gz GKDMGBNUNGBEBH-MDWZMJQESA-N -1 1 364.404 2.179 20 0 FEADMM CC(C)N1C(=S)N=NC1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820211061 606465353 /nfs/dbraw/zinc/46/53/53/606465353.db2.gz BDUIPRLDNAPYFT-UHFFFAOYSA-N -1 1 365.854 2.031 20 0 FEADMM CC(C)N1C(=S)N=NC1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820211061 606465355 /nfs/dbraw/zinc/46/53/55/606465355.db2.gz BDUIPRLDNAPYFT-UHFFFAOYSA-N -1 1 365.854 2.031 20 0 FEADMM COCCOCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821693063 606513480 /nfs/dbraw/zinc/51/34/80/606513480.db2.gz PNJBNNXXURQEHO-UHFFFAOYSA-N -1 1 359.411 2.344 20 0 FEADMM COCCOCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821693063 606513481 /nfs/dbraw/zinc/51/34/81/606513481.db2.gz PNJBNNXXURQEHO-UHFFFAOYSA-N -1 1 359.411 2.344 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1OC ZINC000821077944 606530262 /nfs/dbraw/zinc/53/02/62/606530262.db2.gz YBLZYFXLFCQTCF-UHFFFAOYSA-N -1 1 357.374 2.030 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1OC ZINC000821077944 606530264 /nfs/dbraw/zinc/53/02/64/606530264.db2.gz YBLZYFXLFCQTCF-UHFFFAOYSA-N -1 1 357.374 2.030 20 0 FEADMM COCCCN(Cc1ccncc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821687530 606553477 /nfs/dbraw/zinc/55/34/77/606553477.db2.gz CZYZOUHRGANECS-UHFFFAOYSA-N -1 1 358.427 2.002 20 0 FEADMM COCCCN(Cc1ccncc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821687530 606553479 /nfs/dbraw/zinc/55/34/79/606553479.db2.gz CZYZOUHRGANECS-UHFFFAOYSA-N -1 1 358.427 2.002 20 0 FEADMM COc1ccc(C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821786932 606553696 /nfs/dbraw/zinc/55/36/96/606553696.db2.gz LRGDNJUXUWRVTQ-SNVBAGLBSA-N -1 1 373.438 2.306 20 0 FEADMM COc1ccc(C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821786932 606553698 /nfs/dbraw/zinc/55/36/98/606553698.db2.gz LRGDNJUXUWRVTQ-SNVBAGLBSA-N -1 1 373.438 2.306 20 0 FEADMM CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000821505004 606568015 /nfs/dbraw/zinc/56/80/15/606568015.db2.gz OIAVCBGOZSXTCY-VIFPVBQESA-N -1 1 359.415 2.241 20 0 FEADMM CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000821505004 606568016 /nfs/dbraw/zinc/56/80/16/606568016.db2.gz OIAVCBGOZSXTCY-VIFPVBQESA-N -1 1 359.415 2.241 20 0 FEADMM O=C(NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823223769 606578605 /nfs/dbraw/zinc/57/86/05/606578605.db2.gz HZNYVUAMWKTVLG-UHFFFAOYSA-N -1 1 374.373 2.376 20 0 FEADMM O=C(NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823223769 606578606 /nfs/dbraw/zinc/57/86/06/606578606.db2.gz HZNYVUAMWKTVLG-UHFFFAOYSA-N -1 1 374.373 2.376 20 0 FEADMM CCCC[C@H](CCC)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821040992 606634546 /nfs/dbraw/zinc/63/45/46/606634546.db2.gz WSNHGTFJJOYADG-LBPRGKRZSA-N -1 1 352.464 2.147 20 0 FEADMM CCCC[C@H](CCC)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821040992 606634547 /nfs/dbraw/zinc/63/45/47/606634547.db2.gz WSNHGTFJJOYADG-LBPRGKRZSA-N -1 1 352.464 2.147 20 0 FEADMM O=C(Cc1ccc(OC(F)F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823083144 606649022 /nfs/dbraw/zinc/64/90/22/606649022.db2.gz YOJAUZQTAYFQAP-UHFFFAOYSA-N -1 1 361.308 2.149 20 0 FEADMM O=C(Cc1ccc(OC(F)F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823083144 606649023 /nfs/dbraw/zinc/64/90/23/606649023.db2.gz YOJAUZQTAYFQAP-UHFFFAOYSA-N -1 1 361.308 2.149 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](C(C)C)C1 ZINC000822004997 606689600 /nfs/dbraw/zinc/68/96/00/606689600.db2.gz MXQLWYWYTKDLMT-ZDUSSCGKSA-N -1 1 358.446 2.021 20 0 FEADMM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820073341 606737116 /nfs/dbraw/zinc/73/71/16/606737116.db2.gz SAPCMFQCTUNXMF-ZDUSSCGKSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820073341 606737118 /nfs/dbraw/zinc/73/71/18/606737118.db2.gz SAPCMFQCTUNXMF-ZDUSSCGKSA-N -1 1 364.475 2.241 20 0 FEADMM O=C(O[C@H](c1ncccn1)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823391906 606764818 /nfs/dbraw/zinc/76/48/18/606764818.db2.gz IHVOROWMHUMANN-AWEZNQCLSA-N -1 1 351.370 2.140 20 0 FEADMM O=C(O[C@H](c1ncccn1)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823391906 606764820 /nfs/dbraw/zinc/76/48/20/606764820.db2.gz IHVOROWMHUMANN-AWEZNQCLSA-N -1 1 351.370 2.140 20 0 FEADMM FC(F)Oc1cc2c(cc1CNc1cccc(-c3nnn[n-]3)n1)OCO2 ZINC000822733343 606799724 /nfs/dbraw/zinc/79/97/24/606799724.db2.gz YRZGSFLJBDVCHI-UHFFFAOYSA-N -1 1 362.296 2.204 20 0 FEADMM FC(F)Oc1cc2c(cc1CNc1cccc(-c3nn[n-]n3)n1)OCO2 ZINC000822733343 606799725 /nfs/dbraw/zinc/79/97/25/606799725.db2.gz YRZGSFLJBDVCHI-UHFFFAOYSA-N -1 1 362.296 2.204 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N(CCC(C)C)C2CC2)cc1-c1nn[n-]n1 ZINC000821971148 606835317 /nfs/dbraw/zinc/83/53/17/606835317.db2.gz XZNQWYOFRUZRBN-UHFFFAOYSA-N -1 1 362.459 2.340 20 0 FEADMM O=C(Nc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000823299229 606874756 /nfs/dbraw/zinc/87/47/56/606874756.db2.gz NGDRFEZDCXIDEF-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Nc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000823299229 606874757 /nfs/dbraw/zinc/87/47/57/606874757.db2.gz NGDRFEZDCXIDEF-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM FC(F)(F)Cn1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822718465 606881146 /nfs/dbraw/zinc/88/11/46/606881146.db2.gz JDNFVIOVVRJFKN-UHFFFAOYSA-N -1 1 358.715 2.286 20 0 FEADMM FC(F)(F)Cn1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822718465 606881149 /nfs/dbraw/zinc/88/11/49/606881149.db2.gz JDNFVIOVVRJFKN-UHFFFAOYSA-N -1 1 358.715 2.286 20 0 FEADMM CCOC(=O)C1(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC000821319173 606935997 /nfs/dbraw/zinc/93/59/97/606935997.db2.gz BCKAKIRKLXWWRM-UHFFFAOYSA-N -1 1 363.443 2.266 20 0 FEADMM CCOC(=O)C1(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000821319173 606935999 /nfs/dbraw/zinc/93/59/99/606935999.db2.gz BCKAKIRKLXWWRM-UHFFFAOYSA-N -1 1 363.443 2.266 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823484319 606987895 /nfs/dbraw/zinc/98/78/95/606987895.db2.gz VSQRQLHJOHUWFD-MNOVXSKESA-N -1 1 359.411 2.250 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823484319 606987896 /nfs/dbraw/zinc/98/78/96/606987896.db2.gz VSQRQLHJOHUWFD-MNOVXSKESA-N -1 1 359.411 2.250 20 0 FEADMM Cc1cccc(C)c1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822293506 607006963 /nfs/dbraw/zinc/00/69/63/607006963.db2.gz AHMBCXSWCWLLPX-UHFFFAOYSA-N -1 1 361.402 2.101 20 0 FEADMM Cc1occc1-c1nnc(Sc2cccc(F)c2-c2nnn[n-]2)n1N ZINC000822552932 607028433 /nfs/dbraw/zinc/02/84/33/607028433.db2.gz FSMOLHZBEKGQIU-UHFFFAOYSA-N -1 1 358.362 2.031 20 0 FEADMM Cc1occc1-c1nnc(Sc2cccc(F)c2-c2nn[n-]n2)n1N ZINC000822552932 607028435 /nfs/dbraw/zinc/02/84/35/607028435.db2.gz FSMOLHZBEKGQIU-UHFFFAOYSA-N -1 1 358.362 2.031 20 0 FEADMM CCOc1ccc2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)[nH]c2c1 ZINC000821427163 607102905 /nfs/dbraw/zinc/10/29/05/607102905.db2.gz NGHARWCJNMHRHK-UHFFFAOYSA-N -1 1 355.383 2.456 20 0 FEADMM CCOc1ccc2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)[nH]c2c1 ZINC000821427163 607102906 /nfs/dbraw/zinc/10/29/06/607102906.db2.gz NGHARWCJNMHRHK-UHFFFAOYSA-N -1 1 355.383 2.456 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccnc1SC(F)F ZINC000823382655 607103402 /nfs/dbraw/zinc/10/34/02/607103402.db2.gz BZQLREBZANOSMA-UHFFFAOYSA-N -1 1 355.355 2.285 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccnc1SC(F)F ZINC000823382655 607103404 /nfs/dbraw/zinc/10/34/04/607103404.db2.gz BZQLREBZANOSMA-UHFFFAOYSA-N -1 1 355.355 2.285 20 0 FEADMM CC(C)Oc1ncc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1Cl ZINC000820178443 607107557 /nfs/dbraw/zinc/10/75/57/607107557.db2.gz QKYRFDOLLXONPY-UHFFFAOYSA-N -1 1 365.806 2.411 20 0 FEADMM CC(C)Oc1ncc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1Cl ZINC000820178443 607107559 /nfs/dbraw/zinc/10/75/59/607107559.db2.gz QKYRFDOLLXONPY-UHFFFAOYSA-N -1 1 365.806 2.411 20 0 FEADMM C[C@H](Cc1ccccc1Br)Nc1nccnc1-c1nnn[n-]1 ZINC000820299508 607114357 /nfs/dbraw/zinc/11/43/57/607114357.db2.gz HGNRGISIQKFCQF-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Cc1ccccc1Br)Nc1nccnc1-c1nn[n-]n1 ZINC000820299508 607114359 /nfs/dbraw/zinc/11/43/59/607114359.db2.gz HGNRGISIQKFCQF-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000823797117 607176824 /nfs/dbraw/zinc/17/68/24/607176824.db2.gz KVJVUAZEAIZEQN-PIGZYNQJSA-N -1 1 369.454 2.277 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000823797117 607176825 /nfs/dbraw/zinc/17/68/25/607176825.db2.gz KVJVUAZEAIZEQN-PIGZYNQJSA-N -1 1 369.454 2.277 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000826395281 607809941 /nfs/dbraw/zinc/80/99/41/607809941.db2.gz VGVDSMHPSKBSKL-UHFFFAOYSA-N -1 1 359.349 2.428 20 0 FEADMM COc1ccc(C)cc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826190080 607863658 /nfs/dbraw/zinc/86/36/58/607863658.db2.gz PCUWCPFPUKBDNH-UHFFFAOYSA-N -1 1 357.345 2.340 20 0 FEADMM COc1ccc(C)cc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826190080 607863659 /nfs/dbraw/zinc/86/36/59/607863659.db2.gz PCUWCPFPUKBDNH-UHFFFAOYSA-N -1 1 357.345 2.340 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCCc2ccccc21 ZINC000826418868 607865713 /nfs/dbraw/zinc/86/57/13/607865713.db2.gz ZMDVMZMEBKQJMA-UHFFFAOYSA-N -1 1 353.357 2.364 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCCc2ccccc21 ZINC000826418868 607865714 /nfs/dbraw/zinc/86/57/14/607865714.db2.gz ZMDVMZMEBKQJMA-UHFFFAOYSA-N -1 1 353.357 2.364 20 0 FEADMM C[C@H]1Cc2ccccc2N1C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825012650 607865869 /nfs/dbraw/zinc/86/58/69/607865869.db2.gz LDRIWMNPNDZQOH-NSHDSACASA-N -1 1 353.357 2.362 20 0 FEADMM C[C@H]1Cc2ccccc2N1C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825012650 607865870 /nfs/dbraw/zinc/86/58/70/607865870.db2.gz LDRIWMNPNDZQOH-NSHDSACASA-N -1 1 353.357 2.362 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc2cnccc21 ZINC000826493413 607867322 /nfs/dbraw/zinc/86/73/22/607867322.db2.gz JKEJALMVSDJULD-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc2cnccc21 ZINC000826493413 607867323 /nfs/dbraw/zinc/86/73/23/607867323.db2.gz JKEJALMVSDJULD-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000826493534 607868005 /nfs/dbraw/zinc/86/80/05/607868005.db2.gz PFYXJOMUQNRGFY-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000826493534 607868006 /nfs/dbraw/zinc/86/80/06/607868006.db2.gz PFYXJOMUQNRGFY-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H]1CCCO1 ZINC000738113108 607903239 /nfs/dbraw/zinc/90/32/39/607903239.db2.gz VAURCXYJOSIVFA-CYBMUJFWSA-N -1 1 355.423 2.390 20 0 FEADMM CCOc1ccc(Cl)cc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825637913 607915041 /nfs/dbraw/zinc/91/50/41/607915041.db2.gz BFTYRMLOIYGHLQ-UHFFFAOYSA-N -1 1 372.816 2.286 20 0 FEADMM CCOc1ccc(Cl)cc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825637913 607915042 /nfs/dbraw/zinc/91/50/42/607915042.db2.gz BFTYRMLOIYGHLQ-UHFFFAOYSA-N -1 1 372.816 2.286 20 0 FEADMM CC(C)(C)c1cc(NC(=O)COC[C@H]2CCCO2)c(-c2nnn[n-]2)s1 ZINC000824129674 607928960 /nfs/dbraw/zinc/92/89/60/607928960.db2.gz DQFJEWUFRBKIKE-SNVBAGLBSA-N -1 1 365.459 2.360 20 0 FEADMM CC(C)(C)c1cc(NC(=O)COC[C@H]2CCCO2)c(-c2nn[n-]n2)s1 ZINC000824129674 607928961 /nfs/dbraw/zinc/92/89/61/607928961.db2.gz DQFJEWUFRBKIKE-SNVBAGLBSA-N -1 1 365.459 2.360 20 0 FEADMM Cc1noc(-c2ccccc2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n1 ZINC000826337975 607997446 /nfs/dbraw/zinc/99/74/46/607997446.db2.gz HMFUCGGVZOVELP-UHFFFAOYSA-N -1 1 363.337 2.183 20 0 FEADMM COc1ccc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000826190958 607998062 /nfs/dbraw/zinc/99/80/62/607998062.db2.gz RWCXPCXSZLDGDF-XBXARRHUSA-N -1 1 367.365 2.241 20 0 FEADMM COc1ccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cc1O ZINC000826192818 608015983 /nfs/dbraw/zinc/01/59/83/608015983.db2.gz CTLQFJZUAARDPW-UHFFFAOYSA-N -1 1 363.381 2.161 20 0 FEADMM COc1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc1O ZINC000826192818 608015984 /nfs/dbraw/zinc/01/59/84/608015984.db2.gz CTLQFJZUAARDPW-UHFFFAOYSA-N -1 1 363.381 2.161 20 0 FEADMM CCC[C@@H]1SCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825261350 608253629 /nfs/dbraw/zinc/25/36/29/608253629.db2.gz XJUAFTCYPHCUMQ-JTQLQIEISA-N -1 1 366.472 2.004 20 0 FEADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826427578 608270079 /nfs/dbraw/zinc/27/00/79/608270079.db2.gz UOTXQCBNJUKZIR-IUODEOHRSA-N -1 1 355.423 2.436 20 0 FEADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826427578 608270081 /nfs/dbraw/zinc/27/00/81/608270081.db2.gz UOTXQCBNJUKZIR-IUODEOHRSA-N -1 1 355.423 2.436 20 0 FEADMM C[C@@H](O)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824700038 608353063 /nfs/dbraw/zinc/35/30/63/608353063.db2.gz WZLBNVQFRIUCDM-LLVKDONJSA-N -1 1 372.454 2.117 20 0 FEADMM COCCOC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000826160415 608379155 /nfs/dbraw/zinc/37/91/55/608379155.db2.gz QSEMZDCOBZHIRG-UHFFFAOYSA-N -1 1 354.414 2.047 20 0 FEADMM COCCOC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000826160415 608379156 /nfs/dbraw/zinc/37/91/56/608379156.db2.gz QSEMZDCOBZHIRG-UHFFFAOYSA-N -1 1 354.414 2.047 20 0 FEADMM c1ccc(COc2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccn2)cc1 ZINC000826521476 608399431 /nfs/dbraw/zinc/39/94/31/608399431.db2.gz NLFKVQHXEUMNMN-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM c1ccc(COc2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccn2)cc1 ZINC000826521476 608399432 /nfs/dbraw/zinc/39/94/32/608399432.db2.gz NLFKVQHXEUMNMN-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM CCOc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1OC(F)F ZINC000825615712 608400146 /nfs/dbraw/zinc/40/01/46/608400146.db2.gz HUMKDOXULOXYAX-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM CCOc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1OC(F)F ZINC000825615712 608400147 /nfs/dbraw/zinc/40/01/47/608400147.db2.gz HUMKDOXULOXYAX-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM c1cc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)nnc1-c1nnn[n-]1 ZINC000826516945 608435243 /nfs/dbraw/zinc/43/52/43/608435243.db2.gz JOADBTCCZDKMPM-NSHDSACASA-N -1 1 368.470 2.376 20 0 FEADMM c1cc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)nnc1-c1nn[n-]n1 ZINC000826516945 608435245 /nfs/dbraw/zinc/43/52/45/608435245.db2.gz JOADBTCCZDKMPM-NSHDSACASA-N -1 1 368.470 2.376 20 0 FEADMM Cc1nc(C2CCCCC2)sc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826324310 608569128 /nfs/dbraw/zinc/56/91/28/608569128.db2.gz MBUFNZLDCMBZIU-UHFFFAOYSA-N -1 1 358.431 2.147 20 0 FEADMM CC1(C)CC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC(C)(C)C1 ZINC000824790740 609181604 /nfs/dbraw/zinc/18/16/04/609181604.db2.gz PSXXYTOPBQSMIY-UHFFFAOYSA-N -1 1 364.475 2.145 20 0 FEADMM CC1(C)CC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC(C)(C)C1 ZINC000824790740 609181606 /nfs/dbraw/zinc/18/16/06/609181606.db2.gz PSXXYTOPBQSMIY-UHFFFAOYSA-N -1 1 364.475 2.145 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1C[C@@H]1C1CC1 ZINC000826458335 609289923 /nfs/dbraw/zinc/28/99/23/609289923.db2.gz MEXMKIZATPYWRP-MNOVXSKESA-N -1 1 353.361 2.176 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CC12CCC2 ZINC000826458261 609289996 /nfs/dbraw/zinc/28/99/96/609289996.db2.gz JPUVOISWEHPRKL-JTQLQIEISA-N -1 1 353.361 2.320 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)COC(C)(C)C)c1-c1nn[n-]n1 ZINC000826333015 609349719 /nfs/dbraw/zinc/34/97/19/609349719.db2.gz QLSORAKYCVQZSY-UHFFFAOYSA-N -1 1 370.413 2.219 20 0 FEADMM CC[C@H](C)N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825066662 609357838 /nfs/dbraw/zinc/35/78/38/609357838.db2.gz CYJMCSOSQGKCQW-JTQLQIEISA-N -1 1 358.381 2.454 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000826340616 609403593 /nfs/dbraw/zinc/40/35/93/609403593.db2.gz FCTQPYLGDVYWBX-CYBMUJFWSA-N -1 1 370.413 2.056 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000826340616 609403594 /nfs/dbraw/zinc/40/35/94/609403594.db2.gz FCTQPYLGDVYWBX-CYBMUJFWSA-N -1 1 370.413 2.056 20 0 FEADMM Cc1onc(CC(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826343729 609469935 /nfs/dbraw/zinc/46/99/35/609469935.db2.gz LHQCAIWSKCNERU-VHSXEESVSA-N -1 1 370.388 2.379 20 0 FEADMM Cc1onc(CC(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826343729 609469936 /nfs/dbraw/zinc/46/99/36/609469936.db2.gz LHQCAIWSKCNERU-VHSXEESVSA-N -1 1 370.388 2.379 20 0 FEADMM CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825616196 609491211 /nfs/dbraw/zinc/49/12/11/609491211.db2.gz ZNXCWXHJFRCTFO-UHFFFAOYSA-N -1 1 356.386 2.172 20 0 FEADMM CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825616196 609491212 /nfs/dbraw/zinc/49/12/12/609491212.db2.gz ZNXCWXHJFRCTFO-UHFFFAOYSA-N -1 1 356.386 2.172 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1F)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826486757 609560919 /nfs/dbraw/zinc/56/09/19/609560919.db2.gz PGCFJYBSWQPKMZ-UHFFFAOYSA-N -1 1 370.312 2.193 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1F)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826486757 609560922 /nfs/dbraw/zinc/56/09/22/609560922.db2.gz PGCFJYBSWQPKMZ-UHFFFAOYSA-N -1 1 370.312 2.193 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000559983194 674563036 /nfs/dbraw/zinc/56/30/36/674563036.db2.gz CIHUGUJOGIHTFG-AWEZNQCLSA-N -1 1 365.386 2.155 20 0 FEADMM Cc1ncccc1COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000810883271 674566536 /nfs/dbraw/zinc/56/65/36/674566536.db2.gz JZSQRKKGXYYTDX-UHFFFAOYSA-N -1 1 352.412 2.417 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1)C(F)(F)F ZINC000810900630 674567390 /nfs/dbraw/zinc/56/73/90/674567390.db2.gz ZYKHRWQTVHHCAK-LLVKDONJSA-N -1 1 356.344 2.152 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc12 ZINC000560600050 674602678 /nfs/dbraw/zinc/60/26/78/674602678.db2.gz JAPGNVLRSSCRII-UHFFFAOYSA-N -1 1 358.379 2.003 20 0 FEADMM O=C(N[C@H](CCO)c1ccccc1Br)c1cncc([O-])c1 ZINC000560625907 674604831 /nfs/dbraw/zinc/60/48/31/674604831.db2.gz JBHAKNGXXNGHIG-CQSZACIVSA-N -1 1 351.200 2.403 20 0 FEADMM CO[C@H](C)c1nsc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811856888 674633658 /nfs/dbraw/zinc/63/36/58/674633658.db2.gz VXGQMAPGDUTFHX-BDAKNGLRSA-N -1 1 352.382 2.140 20 0 FEADMM COCc1ccsc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812278732 674661542 /nfs/dbraw/zinc/66/15/42/674661542.db2.gz ONJURDFJZLRBLZ-JTQLQIEISA-N -1 1 364.389 2.425 20 0 FEADMM CCc1ccc(O)c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000812278900 674661662 /nfs/dbraw/zinc/66/16/62/674661662.db2.gz JRTTUGUTKNJKLA-LBPRGKRZSA-N -1 1 358.360 2.485 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2ccsc2)c1 ZINC000812362552 674670121 /nfs/dbraw/zinc/67/01/21/674670121.db2.gz ZZDVYWXBOSBKBD-UHFFFAOYSA-N -1 1 354.453 2.323 20 0 FEADMM O=C(C[C@@H](O)Cc1ccccc1)Nc1nc(Br)ccc1[O-] ZINC000813533079 674757481 /nfs/dbraw/zinc/75/74/81/674757481.db2.gz KRVNCXGFBQTOML-NSHDSACASA-N -1 1 351.200 2.482 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](N3CCCC3=O)C2)c(F)c1 ZINC000563436185 674888236 /nfs/dbraw/zinc/88/82/36/674888236.db2.gz GPCDMPNJAMKSGY-STQMWFEESA-N -1 1 372.437 2.485 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2Br)cc1 ZINC000647278538 677299532 /nfs/dbraw/zinc/29/95/32/677299532.db2.gz YGJPAQVZRISWIO-UHFFFAOYSA-N -1 1 360.233 2.130 20 0 FEADMM COCc1nsc([N-]C(=O)c2cn3c(Br)cnc3s2)n1 ZINC000816075302 675007308 /nfs/dbraw/zinc/00/73/08/675007308.db2.gz WOZXLFXESALCFX-UHFFFAOYSA-N -1 1 374.245 2.409 20 0 FEADMM O=C(COC(=O)[C@H]1CC=CCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000006291296 669958696 /nfs/dbraw/zinc/95/86/96/669958696.db2.gz ZWJZRZQXAABZRM-LBPRGKRZSA-N -1 1 353.321 2.444 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(C(C)C)cc2)C(=O)[N-]C1=S ZINC000009954398 669985497 /nfs/dbraw/zinc/98/54/97/669985497.db2.gz RCFQOJPQYBQZPM-QINSGFPZSA-N -1 1 361.467 2.386 20 0 FEADMM O=C(CSCC(=O)Nc1ccc(F)cc1)N[N-]C(=O)c1cccs1 ZINC000017258624 670023537 /nfs/dbraw/zinc/02/35/37/670023537.db2.gz LEUUAFNFTPRLBZ-UHFFFAOYSA-N -1 1 367.427 2.020 20 0 FEADMM O=C(COC(=O)c1ccsc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000022537593 670041433 /nfs/dbraw/zinc/04/14/33/670041433.db2.gz FAPDXQBTYBPVPN-UHFFFAOYSA-N -1 1 355.318 2.463 20 0 FEADMM CCCSC[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000565058299 675091231 /nfs/dbraw/zinc/09/12/31/675091231.db2.gz VBGCNEBTXPTSLJ-SECBINFHSA-N -1 1 373.830 2.493 20 0 FEADMM O=C(COC(=O)c1c(Cl)nc2ccccn21)[N-]C(=O)c1ccccc1 ZINC000051410109 670295781 /nfs/dbraw/zinc/29/57/81/670295781.db2.gz KEDBGLGTQHQLCS-UHFFFAOYSA-N -1 1 357.753 2.101 20 0 FEADMM COc1ccccc1OCCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051695270 670302433 /nfs/dbraw/zinc/30/24/33/670302433.db2.gz QTJBJURYMAXMHD-UHFFFAOYSA-N -1 1 371.436 2.364 20 0 FEADMM CCCCCC[C@H](C)NC(C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000054504559 670337814 /nfs/dbraw/zinc/33/78/14/670337814.db2.gz XTRAWRMBQMCJEH-JOLOJFPGSA-N -1 1 355.504 2.099 20 0 FEADMM CC(=O)c1cccc(NC(C)=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1 ZINC000054502766 670337969 /nfs/dbraw/zinc/33/79/69/670337969.db2.gz HSCLCZRPDBOMFO-PTNGSMBKSA-N -1 1 359.451 2.474 20 0 FEADMM CC(C)CN1C(=O)C(=CNc2ccnn2C2CCCC2)C(=O)[N-]C1=S ZINC000060865191 670390138 /nfs/dbraw/zinc/39/01/38/670390138.db2.gz LSOPXCMWEOTMHF-LCYFTJDESA-N -1 1 361.471 2.193 20 0 FEADMM Cc1c(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000060862578 670390150 /nfs/dbraw/zinc/39/01/50/670390150.db2.gz IVOPDYDMADZLNH-XFFZJAGNSA-N -1 1 362.411 2.098 20 0 FEADMM CC(=O)N[C@@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)c1cccs1 ZINC000066639454 670445588 /nfs/dbraw/zinc/44/55/88/670445588.db2.gz HOVOGGIKMAZOMV-NSHDSACASA-N -1 1 367.500 2.467 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n[n-]c1=S ZINC000066639022 670445758 /nfs/dbraw/zinc/44/57/58/670445758.db2.gz SIABWXHCQRGPNY-GFCCVEGCSA-N -1 1 367.519 2.422 20 0 FEADMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2n[n-]c(=S)n2C(C)C)C1 ZINC000066639316 670445897 /nfs/dbraw/zinc/44/58/97/670445897.db2.gz OOJAZCOPXWPESB-STQMWFEESA-N -1 1 367.519 2.422 20 0 FEADMM CCn1c(CCNC(=O)CCSCc2ccccn2)n[n-]c1=S ZINC000067077386 670452949 /nfs/dbraw/zinc/45/29/49/670452949.db2.gz ZDYDTZSMVNADNG-UHFFFAOYSA-N -1 1 351.501 2.338 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068429327 670470972 /nfs/dbraw/zinc/47/09/72/670470972.db2.gz WKYUZFLFUPUYNX-SNVBAGLBSA-N -1 1 362.503 2.338 20 0 FEADMM C[C@@H](C[S@](C)=O)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000565335757 675112700 /nfs/dbraw/zinc/11/27/00/675112700.db2.gz GYBVFOSTKLRMEV-PPRQPISWSA-N -1 1 371.256 2.200 20 0 FEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000074294825 670517992 /nfs/dbraw/zinc/51/79/92/670517992.db2.gz QJCDARNVHHYVFC-IAQYHMDHSA-N -1 1 354.435 2.273 20 0 FEADMM CC(Nc1ccc2n[nH]cc2c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000078382128 670586034 /nfs/dbraw/zinc/58/60/34/670586034.db2.gz SCSNXACTMRNHHI-GXDHUFHOSA-N -1 1 357.439 2.148 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1 ZINC000078622098 670590158 /nfs/dbraw/zinc/59/01/58/670590158.db2.gz TZSRILUOGJQDRV-ZWNOBZJWSA-N -1 1 362.503 2.338 20 0 FEADMM COC(=O)[C@H]1CCc2sc(NC([O-])=NO[C@@H]3CCCCO3)nc2C1 ZINC000817321207 675121994 /nfs/dbraw/zinc/12/19/94/675121994.db2.gz SLKUKXXFOBEFCI-JOYOIKCWSA-N -1 1 355.416 2.001 20 0 FEADMM COC(=O)[C@H]1CCc2sc(NC(=O)[N-]O[C@@H]3CCCCO3)nc2C1 ZINC000817321207 675121995 /nfs/dbraw/zinc/12/19/95/675121995.db2.gz SLKUKXXFOBEFCI-JOYOIKCWSA-N -1 1 355.416 2.001 20 0 FEADMM Cn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)CCCOc2cccnc2)C1 ZINC000080092051 670615599 /nfs/dbraw/zinc/61/55/99/670615599.db2.gz VUPVMDCRLDNJNP-CYBMUJFWSA-N -1 1 361.471 2.438 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc(Cl)c1F ZINC000569810986 670616816 /nfs/dbraw/zinc/61/68/16/670616816.db2.gz RHQHFEZRSUCHIY-GFCCVEGCSA-N -1 1 365.810 2.432 20 0 FEADMM Cc1nc(-c2ccc(C(=O)NCc3n[n-]c(=S)n3C3CC3)cc2)n[nH]1 ZINC000081354892 670640963 /nfs/dbraw/zinc/64/09/63/670640963.db2.gz BOFHUYALAOOBFC-UHFFFAOYSA-N -1 1 355.427 2.299 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Oc1cccc(F)c1 ZINC000084675377 670673313 /nfs/dbraw/zinc/67/33/13/670673313.db2.gz AEVMNJUIFLAUEN-LLVKDONJSA-N -1 1 361.826 2.349 20 0 FEADMM CCS[C@H](C)c1noc(CN(C)CCC[N-]C(=O)C(F)(F)F)n1 ZINC000091594354 670729265 /nfs/dbraw/zinc/72/92/65/670729265.db2.gz QDPNAQGCYDPXKH-SECBINFHSA-N -1 1 354.398 2.384 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCCO1)C(F)(F)F ZINC000817490186 675138307 /nfs/dbraw/zinc/13/83/07/675138307.db2.gz OBYTUXMLFDDDAE-OCCSQVGLSA-N -1 1 356.344 2.192 20 0 FEADMM CCC[C@H](OC)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490430 675138666 /nfs/dbraw/zinc/13/86/66/675138666.db2.gz PWOIVOZYSDVSSX-OCCSQVGLSA-N -1 1 358.360 2.438 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)nc3)ccc2O1 ZINC000106354835 670810843 /nfs/dbraw/zinc/81/08/43/670810843.db2.gz FUEHOVQHBJMMPD-GFCCVEGCSA-N -1 1 356.407 2.392 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000571126516 670820171 /nfs/dbraw/zinc/82/01/71/670820171.db2.gz FZNCRIIHBIXWAF-LSDHHAIUSA-N -1 1 365.455 2.320 20 0 FEADMM CCOC(=O)[C@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000109127925 670836999 /nfs/dbraw/zinc/83/69/99/670836999.db2.gz JGTGHIFMEVNRHQ-VIFPVBQESA-N -1 1 354.457 2.127 20 0 FEADMM COc1cc(NC(=O)NCc2cccc(C)n2)ccc1[N-]S(C)(=O)=O ZINC000571367867 670863205 /nfs/dbraw/zinc/86/32/05/670863205.db2.gz ATAAOMGPGXBMNS-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(F)c1 ZINC000572309596 670985562 /nfs/dbraw/zinc/98/55/62/670985562.db2.gz MRSIZFHPXPJVEP-UHFFFAOYSA-N -1 1 355.309 2.233 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)n1 ZINC000572471522 671005871 /nfs/dbraw/zinc/00/58/71/671005871.db2.gz FUPAGMZXHSAWPM-WCBMZHEXSA-N -1 1 372.809 2.133 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)[n-]1 ZINC000572471522 671005873 /nfs/dbraw/zinc/00/58/73/671005873.db2.gz FUPAGMZXHSAWPM-WCBMZHEXSA-N -1 1 372.809 2.133 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccn(-c4ccncc4)n3)cn21 ZINC000574296306 671223752 /nfs/dbraw/zinc/22/37/52/671223752.db2.gz JFOPZQCLATZFOO-LBPRGKRZSA-N -1 1 358.427 2.162 20 0 FEADMM O=C(CN1CCC(Cc2cc(Cl)ccc2Cl)CC1)Nc1nnn[n-]1 ZINC000575637183 671315759 /nfs/dbraw/zinc/31/57/59/671315759.db2.gz ICRPUAKMRRKMQO-UHFFFAOYSA-N -1 1 369.256 2.400 20 0 FEADMM O=C(CN1CCC(Cc2cc(Cl)ccc2Cl)CC1)Nc1nn[n-]n1 ZINC000575637183 671315761 /nfs/dbraw/zinc/31/57/61/671315761.db2.gz ICRPUAKMRRKMQO-UHFFFAOYSA-N -1 1 369.256 2.400 20 0 FEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000575756667 671318408 /nfs/dbraw/zinc/31/84/08/671318408.db2.gz WTYZNMPIGDWDLE-GHMZBOCLSA-N -1 1 368.231 2.389 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C2CC2)C(F)(F)F)o1 ZINC000576379188 671364567 /nfs/dbraw/zinc/36/45/67/671364567.db2.gz ASPHNGWEZGEQLP-LLVKDONJSA-N -1 1 368.377 2.427 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1F ZINC000608788827 675903761 /nfs/dbraw/zinc/90/37/61/675903761.db2.gz HWZPBONLOLZPPE-KRWDZBQOSA-N -1 1 365.426 2.420 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2OC)o1 ZINC000609351923 675919578 /nfs/dbraw/zinc/91/95/78/675919578.db2.gz DSBBWOLWOPSEEH-UHFFFAOYSA-N -1 1 367.423 2.331 20 0 FEADMM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000578129498 671643039 /nfs/dbraw/zinc/64/30/39/671643039.db2.gz IXIFUMHMJSRCPH-NSHDSACASA-N -1 1 355.485 2.127 20 0 FEADMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000578785446 671689446 /nfs/dbraw/zinc/68/94/46/671689446.db2.gz KFNQMIMLGDDUFV-NSHDSACASA-N -1 1 360.376 2.328 20 0 FEADMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000578812728 671690924 /nfs/dbraw/zinc/69/09/24/671690924.db2.gz RDTYMIPPWWKOSS-UHFFFAOYSA-N -1 1 370.377 2.147 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1C ZINC000609796395 675936724 /nfs/dbraw/zinc/93/67/24/675936724.db2.gz SJBZYDNVQRRHOI-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM COc1cccc(CN(C)C(=O)CSc2ncc(C)c(=O)[n-]2)c1OC ZINC000579733282 671756983 /nfs/dbraw/zinc/75/69/83/671756983.db2.gz LLYYBIPSBVUVLG-UHFFFAOYSA-N -1 1 363.439 2.259 20 0 FEADMM CNS(=O)(=O)c1cc(NCc2ccn(-c3ccccc3)n2)ccc1[O-] ZINC000580376980 671801399 /nfs/dbraw/zinc/80/13/99/671801399.db2.gz HXVIBUBACGNDOV-UHFFFAOYSA-N -1 1 358.423 2.098 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)s1 ZINC000610032083 675948245 /nfs/dbraw/zinc/94/82/45/675948245.db2.gz BGAQDYSLTFHQNN-UHFFFAOYSA-N -1 1 351.409 2.292 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2N(C)CCCC2(C)C)c1C ZINC000581171638 671869855 /nfs/dbraw/zinc/86/98/55/671869855.db2.gz UZYCNQVFDMTOQB-INIZCTEOSA-N -1 1 368.499 2.400 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)Cc1ccccc1C(F)(F)F ZINC000581456529 671898331 /nfs/dbraw/zinc/89/83/31/671898331.db2.gz JNDCLKGGWQAVBG-MRVPVSSYSA-N -1 1 363.361 2.494 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CCO)c2)c1 ZINC000121460457 671949962 /nfs/dbraw/zinc/94/99/62/671949962.db2.gz YSKGDUYDUYRGJM-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1cn2c(ncc(C(=O)Nc3ccc4nc([S-])[nH]c4c3)c2=O)s1 ZINC000121794462 671957675 /nfs/dbraw/zinc/95/76/75/671957675.db2.gz OSKAMIIKSRFNOB-UHFFFAOYSA-N -1 1 357.420 2.482 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000583181132 672070648 /nfs/dbraw/zinc/07/06/48/672070648.db2.gz AUVHTUYNJJZUBG-CQSZACIVSA-N -1 1 350.444 2.089 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c(CC)nn(C)c2CC)o1 ZINC000153536186 672200331 /nfs/dbraw/zinc/20/03/31/672200331.db2.gz KEGHGOHSRVUJHU-CQSZACIVSA-N -1 1 369.487 2.366 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)o1 ZINC000610715757 675991314 /nfs/dbraw/zinc/99/13/14/675991314.db2.gz FDIRJNSJDGXZDO-CYBMUJFWSA-N -1 1 359.444 2.330 20 0 FEADMM O=S(=O)([N-]CC1(N2CCOCC2)CCCCC1)c1cccc(F)c1F ZINC000585766518 672231405 /nfs/dbraw/zinc/23/14/05/672231405.db2.gz AHWIWWIZBZWLPW-UHFFFAOYSA-N -1 1 374.453 2.278 20 0 FEADMM CC(C)[C@H](C(=O)Nc1nc(Br)ccc1[O-])N1CCCC1=O ZINC000156326984 672244785 /nfs/dbraw/zinc/24/47/85/672244785.db2.gz ZXNXEYSHIVLPCI-GFCCVEGCSA-N -1 1 356.220 2.135 20 0 FEADMM O=C(Cc1ccc2c(c1)OCO2)Nc1nc(Br)ccc1[O-] ZINC000156371597 672245538 /nfs/dbraw/zinc/24/55/38/672245538.db2.gz WFUIDTJSWRIKMM-UHFFFAOYSA-N -1 1 351.156 2.460 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCOC2(CCOCC2)C1 ZINC000159304075 672280226 /nfs/dbraw/zinc/28/02/26/672280226.db2.gz BFOXGUNDRJNMQF-UHFFFAOYSA-N -1 1 356.216 2.176 20 0 FEADMM O=S(=O)([N-]C[C@]1(O)CCCc2ccccc21)c1cccc(F)c1F ZINC000161609052 672298323 /nfs/dbraw/zinc/29/83/23/672298323.db2.gz HOHKEPIPADOCIA-QGZVFWFLSA-N -1 1 353.390 2.467 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3s2)co1 ZINC000163617521 672310162 /nfs/dbraw/zinc/31/01/62/672310162.db2.gz XWPHYFZIOQOTPR-UHFFFAOYSA-N -1 1 352.393 2.154 20 0 FEADMM O=S(=O)([N-]N=c1nc[nH]c2ccsc21)c1cc(F)c(F)c(F)c1 ZINC000165451472 672317116 /nfs/dbraw/zinc/31/71/16/672317116.db2.gz WCDWLJYPZSSPRU-UHFFFAOYSA-N -1 1 360.342 2.414 20 0 FEADMM CCOC(=O)c1nnc([N-]C(=O)c2cnc(-c3ccncc3)s2)s1 ZINC000610894646 676003980 /nfs/dbraw/zinc/00/39/80/676003980.db2.gz VIXJNZQJHHOONE-UHFFFAOYSA-N -1 1 361.408 2.486 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Oc1ccccc1Cl ZINC000173710511 672354116 /nfs/dbraw/zinc/35/41/16/672354116.db2.gz REPYORSLTWYEAD-VIFPVBQESA-N -1 1 364.254 2.473 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Oc1ccc(Cl)cc1 ZINC000173933050 672355840 /nfs/dbraw/zinc/35/58/40/672355840.db2.gz QCCHVHQNUKULLK-SECBINFHSA-N -1 1 364.254 2.473 20 0 FEADMM COCc1ccsc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000179876133 672406620 /nfs/dbraw/zinc/40/66/20/672406620.db2.gz XBXKGXDGAUGDER-SNVBAGLBSA-N -1 1 352.387 2.262 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCCc2c(C)nn(C)c2C)c(F)c1 ZINC000678727533 672439856 /nfs/dbraw/zinc/43/98/56/672439856.db2.gz ZGHQZGMLWRHGRI-UHFFFAOYSA-N -1 1 373.425 2.235 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cnc[nH]1 ZINC000588229698 672459066 /nfs/dbraw/zinc/45/90/66/672459066.db2.gz ABEHPDOBPOPBFG-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM CNC(=O)c1cccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1 ZINC000183280104 672464483 /nfs/dbraw/zinc/46/44/83/672464483.db2.gz OCTAWQLPRPZQEL-UHFFFAOYSA-N -1 1 364.764 2.305 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c(F)c1 ZINC000588673864 672470298 /nfs/dbraw/zinc/47/02/98/672470298.db2.gz CINYLTSROMWFGX-NSHDSACASA-N -1 1 371.361 2.092 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2ncon2)cc1)c1ccc2c(c1)OCCO2 ZINC000588834637 672484658 /nfs/dbraw/zinc/48/46/58/672484658.db2.gz NDAFETVDIGIDKE-UHFFFAOYSA-N -1 1 359.363 2.309 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1C(N)=O ZINC000588833041 672484689 /nfs/dbraw/zinc/48/46/89/672484689.db2.gz FBTQETXGEHNGLE-LLVKDONJSA-N -1 1 364.423 2.302 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2CCCCC2)cc(C(=O)[O-])c1Cl ZINC000184891209 672510627 /nfs/dbraw/zinc/51/06/27/672510627.db2.gz FGEWMTXDPWBVSN-UHFFFAOYSA-N -1 1 360.863 2.111 20 0 FEADMM CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000184898927 672511146 /nfs/dbraw/zinc/51/11/46/672511146.db2.gz BYRMKCQOANWEQB-SNAWJCMRSA-N -1 1 362.398 2.324 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C)nc1N1CCCC1 ZINC000679714576 672520008 /nfs/dbraw/zinc/52/00/08/672520008.db2.gz XJVZUAISMMUTSH-UHFFFAOYSA-N -1 1 350.444 2.074 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)CCCC1 ZINC000589556129 672531662 /nfs/dbraw/zinc/53/16/62/672531662.db2.gz PSKLLSOEBUFPDR-GFCCVEGCSA-N -1 1 355.460 2.329 20 0 FEADMM CCN1C(=S)N=NC1C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188371920 672589163 /nfs/dbraw/zinc/58/91/63/672589163.db2.gz DVZZSPGCQRDLAB-UHFFFAOYSA-N -1 1 357.439 2.184 20 0 FEADMM C[C@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000680640632 672595392 /nfs/dbraw/zinc/59/53/92/672595392.db2.gz AQQMDHLHHZPAHB-ZDUSSCGKSA-N -1 1 363.439 2.380 20 0 FEADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1O ZINC000680809723 672602627 /nfs/dbraw/zinc/60/26/27/672602627.db2.gz MASAULJJSFPDMO-UHFFFAOYSA-N -1 1 355.437 2.213 20 0 FEADMM O=C(NCc1ccccc1)NNC(=O)c1cc(Br)ccc1[O-] ZINC000189108447 672607287 /nfs/dbraw/zinc/60/72/87/672607287.db2.gz QFQOCTFNIMNYFF-UHFFFAOYSA-N -1 1 364.199 2.299 20 0 FEADMM COCC[C@@H](C)S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000680976920 672618511 /nfs/dbraw/zinc/61/85/11/672618511.db2.gz PHECZPJSPDMVON-CYBMUJFWSA-N -1 1 355.456 2.042 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000681577566 672676526 /nfs/dbraw/zinc/67/65/26/672676526.db2.gz BNQIZJZALIVBDR-MRXNPFEDSA-N -1 1 368.499 2.029 20 0 FEADMM CN(C)c1noc(C[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000191992731 672680069 /nfs/dbraw/zinc/68/00/69/672680069.db2.gz RHNGTCOZDMJVQC-UHFFFAOYSA-N -1 1 365.242 2.062 20 0 FEADMM Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])ccn1C ZINC000192560798 672694226 /nfs/dbraw/zinc/69/42/26/672694226.db2.gz BJAAQDNTMVFNAD-UHFFFAOYSA-N -1 1 363.439 2.076 20 0 FEADMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000591685265 672701661 /nfs/dbraw/zinc/70/16/61/672701661.db2.gz WJEGPBYQLBRAOH-UHFFFAOYSA-N -1 1 364.423 2.011 20 0 FEADMM O=C(Cn1cccn1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000194489314 672760997 /nfs/dbraw/zinc/76/09/97/672760997.db2.gz YOVJMEDVTIGFBK-UHFFFAOYSA-N -1 1 356.407 2.323 20 0 FEADMM COc1cccc([C@@H](O)C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000194575270 672763052 /nfs/dbraw/zinc/76/30/52/672763052.db2.gz BQJJXGPNAPBIRJ-GFCCVEGCSA-N -1 1 353.172 2.230 20 0 FEADMM CC1CCN(CCNS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000195140008 672776548 /nfs/dbraw/zinc/77/65/48/672776548.db2.gz MSKNGKXLKITPFV-UHFFFAOYSA-N -1 1 352.287 2.399 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)ccc1F ZINC000682612536 672778921 /nfs/dbraw/zinc/77/89/21/672778921.db2.gz SAGWNTBDRNOSCK-UHFFFAOYSA-N -1 1 350.375 2.225 20 0 FEADMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000195249182 672780413 /nfs/dbraw/zinc/78/04/13/672780413.db2.gz IXVSETCCXPRSII-UHFFFAOYSA-N -1 1 358.423 2.176 20 0 FEADMM O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000198892666 672788359 /nfs/dbraw/zinc/78/83/59/672788359.db2.gz WCJJYENCEBSJRY-UHFFFAOYSA-N -1 1 366.464 2.419 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc2[nH]ccc21 ZINC000592352740 672790620 /nfs/dbraw/zinc/79/06/20/672790620.db2.gz KBNIDGQORGAHSK-OAHLLOKOSA-N -1 1 352.412 2.121 20 0 FEADMM C[C@]1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCOC1 ZINC000221240141 672791477 /nfs/dbraw/zinc/79/14/77/672791477.db2.gz OEKAEMPBLPIZIN-NSHDSACASA-N -1 1 369.668 2.345 20 0 FEADMM O=C(/C=C\c1ccc(I)o1)[N-]O[C@H]1CCCCO1 ZINC000255163759 672886001 /nfs/dbraw/zinc/88/60/01/672886001.db2.gz MAAKKOQONWMLQN-HWPRWLFBSA-N -1 1 363.151 2.472 20 0 FEADMM O=C1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)N1 ZINC000683952414 672888887 /nfs/dbraw/zinc/88/88/87/672888887.db2.gz WHYGXRMMLBCUQR-SSDOTTSWSA-N -1 1 355.218 2.080 20 0 FEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000263021954 672925956 /nfs/dbraw/zinc/92/59/56/672925956.db2.gz MEHXODDSZCKLPD-CHWSQXEVSA-N -1 1 363.801 2.434 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)C1CC1 ZINC000593554309 672941351 /nfs/dbraw/zinc/94/13/51/672941351.db2.gz VTIDSNQEHSBDGX-VIFPVBQESA-N -1 1 358.268 2.426 20 0 FEADMM Cn1nncc1S(=O)(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000684591791 672947044 /nfs/dbraw/zinc/94/70/44/672947044.db2.gz CZJONJZZQNCJHW-JTQLQIEISA-N -1 1 372.731 2.190 20 0 FEADMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000593633710 672965545 /nfs/dbraw/zinc/96/55/45/672965545.db2.gz OXLBDNYIKFFYFV-NSHDSACASA-N -1 1 357.325 2.026 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1F ZINC000324731221 673046929 /nfs/dbraw/zinc/04/69/29/673046929.db2.gz JPZFLNJZLYIEIK-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@](F)(CO)C1 ZINC000685847538 673048993 /nfs/dbraw/zinc/04/89/93/673048993.db2.gz RGQHDTRQEYDSKW-HNNXBMFYSA-N -1 1 369.190 2.249 20 0 FEADMM CCCn1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1=O ZINC000326110314 673052215 /nfs/dbraw/zinc/05/22/15/673052215.db2.gz BVNMNRMKBQVWCW-UHFFFAOYSA-N -1 1 355.347 2.106 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCC1 ZINC000685903412 673053603 /nfs/dbraw/zinc/05/36/03/673053603.db2.gz WNLMZYWQWQBUSB-UHFFFAOYSA-N -1 1 364.324 2.393 20 0 FEADMM Cc1ncc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N ZINC000326719068 673054679 /nfs/dbraw/zinc/05/46/79/673054679.db2.gz CDSRKBOYUPPKQG-UHFFFAOYSA-N -1 1 353.306 2.039 20 0 FEADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cc(I)ccc1[O-] ZINC000724129881 673087868 /nfs/dbraw/zinc/08/78/68/673087868.db2.gz RSPCGXNAMPSYOF-CMPLNLGQSA-N -1 1 361.179 2.246 20 0 FEADMM Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612815662 676099300 /nfs/dbraw/zinc/09/93/00/676099300.db2.gz IXBLBVUHWKJEHD-SECBINFHSA-N -1 1 368.210 2.430 20 0 FEADMM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)C(F)(F)F ZINC000594698700 673118478 /nfs/dbraw/zinc/11/84/78/673118478.db2.gz FDXXFCQRVIAHEG-NSHDSACASA-N -1 1 357.325 2.297 20 0 FEADMM Cc1oc(-c2cccs2)nc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000726376319 673120005 /nfs/dbraw/zinc/12/00/05/673120005.db2.gz GPBSELNKVFIVKV-UHFFFAOYSA-N -1 1 356.367 2.003 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C(=O)OC)c2ccccn2)cc(Cl)c1[O-] ZINC000613022480 676106976 /nfs/dbraw/zinc/10/69/76/676106976.db2.gz IYCHOZZUJMTPAR-CQSZACIVSA-N -1 1 364.785 2.483 20 0 FEADMM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)c2sccc2Cl)CCOC1 ZINC000594845532 673160483 /nfs/dbraw/zinc/16/04/83/673160483.db2.gz ARIGUZYFOSKDSQ-ZDUSSCGKSA-N -1 1 367.876 2.181 20 0 FEADMM Cc1nc2c(Cl)cccc2c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000424465109 673204550 /nfs/dbraw/zinc/20/45/50/673204550.db2.gz FEOQFJPSKASENT-CYBMUJFWSA-N -1 1 368.842 2.193 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cccnc2OC(C)C)cc1C ZINC000595310432 673221141 /nfs/dbraw/zinc/22/11/41/673221141.db2.gz SGNSXBIVZSGZQF-UHFFFAOYSA-N -1 1 368.411 2.035 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(OC)c(F)c2)cc1C ZINC000595313813 673221868 /nfs/dbraw/zinc/22/18/68/673221868.db2.gz ZOZSDZLXAMKEIX-UHFFFAOYSA-N -1 1 357.359 2.001 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3OC)cc1C ZINC000595316881 673222679 /nfs/dbraw/zinc/22/26/79/673222679.db2.gz AIAMSUWFFPTQBC-CYBMUJFWSA-N -1 1 365.407 2.349 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)cc1C ZINC000595320977 673223661 /nfs/dbraw/zinc/22/36/61/673223661.db2.gz VDQZUHGBAKLZPO-UHFFFAOYSA-N -1 1 373.456 2.002 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)cc1C ZINC000595321308 673223702 /nfs/dbraw/zinc/22/37/02/673223702.db2.gz IJEVRMLCAFQHTP-UHFFFAOYSA-N -1 1 359.444 2.389 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2(c3cccc(OC)c3)CC2)cc1C ZINC000595321680 673223719 /nfs/dbraw/zinc/22/37/19/673223719.db2.gz XTNKINWRUBCUGR-UHFFFAOYSA-N -1 1 365.407 2.351 20 0 FEADMM CN(Cc1cnn(C)c1)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360372 673278043 /nfs/dbraw/zinc/27/80/43/673278043.db2.gz SWVRYAVVUFOOMZ-UHFFFAOYSA-N -1 1 372.208 2.248 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc3n2CCOC3)c1 ZINC000613305528 676122591 /nfs/dbraw/zinc/12/25/91/676122591.db2.gz USFSYFGGXQOCSO-UHFFFAOYSA-N -1 1 352.188 2.442 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)OCC ZINC000463233899 673302829 /nfs/dbraw/zinc/30/28/29/673302829.db2.gz QDTPOTZQLDXIHS-PYEVWLCESA-N -1 1 351.346 2.280 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3cccs3)o2)o1 ZINC000731511643 673332595 /nfs/dbraw/zinc/33/25/95/673332595.db2.gz NSNLMCIPECVQEA-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cccc(N)c2)no1 ZINC000731800802 673343777 /nfs/dbraw/zinc/34/37/77/673343777.db2.gz JACWHPDMFILETI-SECBINFHSA-N -1 1 350.425 2.420 20 0 FEADMM CO[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCC1 ZINC000613554820 676133712 /nfs/dbraw/zinc/13/37/12/676133712.db2.gz KBTTZJSQGWQVHD-CHWSQXEVSA-N -1 1 353.785 2.013 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1ccc(F)cc1 ZINC000613517695 676132501 /nfs/dbraw/zinc/13/25/01/676132501.db2.gz ABVSNUPDEMVMTQ-OAHLLOKOSA-N -1 1 351.305 2.021 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000732309797 673362732 /nfs/dbraw/zinc/36/27/32/673362732.db2.gz WMRIPQIWAVUDDY-UHFFFAOYSA-N -1 1 359.769 2.350 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)n1 ZINC000732571190 673372518 /nfs/dbraw/zinc/37/25/18/673372518.db2.gz QWLKSHUNPSYUCM-OAHLLOKOSA-N -1 1 367.427 2.215 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC[C@@H](C)CC)CC2)n1 ZINC000596728373 673407881 /nfs/dbraw/zinc/40/78/81/673407881.db2.gz QNFZHTINDZKTMX-LBPRGKRZSA-N -1 1 351.451 2.307 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCOCC(F)(F)F ZINC000733471036 673419738 /nfs/dbraw/zinc/41/97/38/673419738.db2.gz FSXQONVWVXUYBC-UHFFFAOYSA-N -1 1 361.320 2.106 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000538136906 673423729 /nfs/dbraw/zinc/42/37/29/673423729.db2.gz GRXXTHRMFBPITH-UHFFFAOYSA-N -1 1 355.437 2.037 20 0 FEADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(Br)c1 ZINC000538225325 673427666 /nfs/dbraw/zinc/42/76/66/673427666.db2.gz SYFDYGQNAJURSB-SNVBAGLBSA-N -1 1 350.220 2.290 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000733899833 673443193 /nfs/dbraw/zinc/44/31/93/673443193.db2.gz PCVIQIXGVNTOCT-UHFFFAOYSA-N -1 1 369.874 2.366 20 0 FEADMM COc1cccc([C@@H](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000538952167 673468036 /nfs/dbraw/zinc/46/80/36/673468036.db2.gz WSTAHWAIGGUBFK-NSHDSACASA-N -1 1 364.423 2.181 20 0 FEADMM COc1cc(NC(=O)NC[C@H]2CCO[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000538950469 673468070 /nfs/dbraw/zinc/46/80/70/673468070.db2.gz VBCFDAKWUTUCLR-NEPJUHHUSA-N -1 1 371.459 2.003 20 0 FEADMM O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539327933 673484134 /nfs/dbraw/zinc/48/41/34/673484134.db2.gz IKFLEYVIZYHPKI-JTQLQIEISA-N -1 1 357.805 2.263 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2nsnc2c1 ZINC000539595688 673497776 /nfs/dbraw/zinc/49/77/76/673497776.db2.gz FVEKBHOIWYBJIC-UHFFFAOYSA-N -1 1 366.399 2.454 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2nn[n-]n2)c(Cl)c1 ZINC000735639496 673498470 /nfs/dbraw/zinc/49/84/70/673498470.db2.gz JKPLLIIGMQGCNB-UHFFFAOYSA-N -1 1 352.782 2.130 20 0 FEADMM O=C(CSc1nc2ccccc2s1)NC1(c2nn[n-]n2)CCCC1 ZINC000735821622 673504107 /nfs/dbraw/zinc/50/41/07/673504107.db2.gz QVUBXMMMAWMIMR-UHFFFAOYSA-N -1 1 360.468 2.487 20 0 FEADMM C[C@]12COC[C@H]1CN(C(=O)c1ccc(I)c([O-])c1)C2 ZINC000598230285 673550595 /nfs/dbraw/zinc/55/05/95/673550595.db2.gz UVFLEBVMUYZANN-YGRLFVJLSA-N -1 1 373.190 2.105 20 0 FEADMM COc1ccc(NC(=O)c2ccc(O)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000541857155 673557633 /nfs/dbraw/zinc/55/76/33/673557633.db2.gz PTOUIMIPUYFPKD-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM CCCN(Cc1nc(=O)n(C)[n-]1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000542505854 673587205 /nfs/dbraw/zinc/58/72/05/673587205.db2.gz ASBKLEHFEZUXHG-UHFFFAOYSA-N -1 1 362.821 2.224 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)[nH]n1 ZINC000542714471 673599520 /nfs/dbraw/zinc/59/95/20/673599520.db2.gz YLTLZZMSIZVLKM-UHFFFAOYSA-N -1 1 360.443 2.193 20 0 FEADMM O=C(NCC1(c2cccs2)CCCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000542773200 673604432 /nfs/dbraw/zinc/60/44/32/673604432.db2.gz TTWPXXDXFFRREM-UHFFFAOYSA-N -1 1 357.439 2.111 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(F)c1 ZINC000542937523 673616329 /nfs/dbraw/zinc/61/63/29/673616329.db2.gz QDISTRBGPAGQPL-UHFFFAOYSA-N -1 1 361.354 2.380 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(N)c(Cl)c2)cc1 ZINC000738862514 673626583 /nfs/dbraw/zinc/62/65/83/673626583.db2.gz UPZKUUXGXYBACU-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599270944 673651550 /nfs/dbraw/zinc/65/15/50/673651550.db2.gz BEGCERJYHCJHFI-SECBINFHSA-N -1 1 353.412 2.171 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)o1 ZINC000599376204 673666094 /nfs/dbraw/zinc/66/60/94/673666094.db2.gz ROLZNKYRZDQOME-NILFDRSVSA-N -1 1 367.810 2.336 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc3c2COC3=O)o1 ZINC000742307826 673720841 /nfs/dbraw/zinc/72/08/41/673720841.db2.gz XJLFQARFIJAQQL-CQSZACIVSA-N -1 1 365.407 2.178 20 0 FEADMM Cn1[n-]c(CSc2nnc(-c3ccc(Br)cc3)o2)nc1=O ZINC000544626882 673721885 /nfs/dbraw/zinc/72/18/85/673721885.db2.gz VDYOOLHPJNKNRI-UHFFFAOYSA-N -1 1 368.216 2.213 20 0 FEADMM COc1cccc(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1Cl ZINC000614475348 676177114 /nfs/dbraw/zinc/17/71/14/676177114.db2.gz MYVDRGDHFQQPQK-UHFFFAOYSA-N -1 1 351.790 2.386 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000744456344 673797594 /nfs/dbraw/zinc/79/75/94/673797594.db2.gz UHBMICGPRGLTLC-UHFFFAOYSA-N -1 1 362.403 2.398 20 0 FEADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1cccc2nsnc21 ZINC000745522321 673839923 /nfs/dbraw/zinc/83/99/23/673839923.db2.gz FKAMTSIBMBCCJB-UHFFFAOYSA-N -1 1 365.317 2.471 20 0 FEADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000745522273 673839932 /nfs/dbraw/zinc/83/99/32/673839932.db2.gz AVWKKOOKEFVMJB-UHFFFAOYSA-N -1 1 350.273 2.481 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)C[C@H]2CCC2(F)F)CCc2ccccc21 ZINC000601345598 673846065 /nfs/dbraw/zinc/84/60/65/673846065.db2.gz DNCCLQJOPZSPGD-CZUORRHYSA-N -1 1 373.421 2.356 20 0 FEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)F)o2)s1 ZINC000601447057 673863888 /nfs/dbraw/zinc/86/38/88/673863888.db2.gz GIMLFULCOJOGNN-LURJTMIESA-N -1 1 366.367 2.500 20 0 FEADMM CC(C)OC[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCO1 ZINC000548114016 673924524 /nfs/dbraw/zinc/92/45/24/673924524.db2.gz KGGMRFMXCAFWKR-GFCCVEGCSA-N -1 1 358.232 2.421 20 0 FEADMM COc1ccc(C)cc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC000548527679 673965846 /nfs/dbraw/zinc/96/58/46/673965846.db2.gz WEEHFEUNVTZQHZ-UHFFFAOYSA-N -1 1 365.363 2.231 20 0 FEADMM O=C(NCc1cc2c(c(Br)c1)OCO2)c1ncccc1[O-] ZINC000548627579 673981650 /nfs/dbraw/zinc/98/16/50/673981650.db2.gz UVGSDSVBAXVWIP-UHFFFAOYSA-N -1 1 351.156 2.208 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c(F)c1 ZINC000548864881 674002257 /nfs/dbraw/zinc/00/22/57/674002257.db2.gz DCMJYRYNXXMEDN-UHFFFAOYSA-N -1 1 357.325 2.479 20 0 FEADMM O=S(=O)([N-][C@H](CO)CCF)c1cc(Br)sc1Cl ZINC000651895018 677460426 /nfs/dbraw/zinc/46/04/26/677460426.db2.gz XMBAAVIMLILGRX-YFKPBYRVSA-N -1 1 366.661 2.163 20 0 FEADMM Cc1ccc(-c2noc(CS(=O)(=O)c3nc(C(C)(C)C)n[n-]3)n2)cc1 ZINC000567068471 675264796 /nfs/dbraw/zinc/26/47/96/675264796.db2.gz JNGFICGXXMADBN-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccc(-c2noc(CS(=O)(=O)c3n[n-]c(C(C)(C)C)n3)n2)cc1 ZINC000567068471 675264808 /nfs/dbraw/zinc/26/48/08/675264808.db2.gz JNGFICGXXMADBN-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM COC(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000819966711 675327748 /nfs/dbraw/zinc/32/77/48/675327748.db2.gz DCNRUXGBPXQWDE-JTQLQIEISA-N -1 1 365.773 2.235 20 0 FEADMM Cc1ccc(Br)nc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819970517 675328231 /nfs/dbraw/zinc/32/82/31/675328231.db2.gz MZBUQSBPSNVRQZ-VIFPVBQESA-N -1 1 367.203 2.261 20 0 FEADMM O=C(c1nc(Br)cs1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820069031 675334440 /nfs/dbraw/zinc/33/44/40/675334440.db2.gz XCWBBYFTCOMEML-UHFFFAOYSA-N -1 1 359.205 2.014 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2c(C)nn(C)c2Cl)c1 ZINC000820083392 675335141 /nfs/dbraw/zinc/33/51/41/675335141.db2.gz CQEOCSQOTVQMOL-QHCPKHFHSA-N -1 1 356.831 2.242 20 0 FEADMM Cc1cc(NCCNC(=O)c2ccc(Br)c([O-])c2)n(C)n1 ZINC000568145012 675353796 /nfs/dbraw/zinc/35/37/96/675353796.db2.gz IKVVNEDMVZJRGF-UHFFFAOYSA-N -1 1 353.220 2.039 20 0 FEADMM O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC000568256917 675361982 /nfs/dbraw/zinc/36/19/82/675361982.db2.gz PMGSORMZOHMBSB-SSDOTTSWSA-N -1 1 355.167 2.042 20 0 FEADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2ccn(CCc3ccncc3)n2)C1 ZINC000568332293 675366382 /nfs/dbraw/zinc/36/63/82/675366382.db2.gz PDLJHWYRWYKLQM-HUUCEWRRSA-N -1 1 363.487 2.155 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCC1CCCCC1 ZINC000820513057 675366919 /nfs/dbraw/zinc/36/69/19/675366919.db2.gz SYPDXFJULYZTCP-SNVBAGLBSA-N -1 1 363.443 2.170 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCC1CCCCC1 ZINC000820513057 675366921 /nfs/dbraw/zinc/36/69/21/675366921.db2.gz SYPDXFJULYZTCP-SNVBAGLBSA-N -1 1 363.443 2.170 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624975 675387453 /nfs/dbraw/zinc/38/74/53/675387453.db2.gz URNHZODMLSFSMZ-RYUDHWBXSA-N -1 1 367.496 2.222 20 0 FEADMM CCOc1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1Cl ZINC000821437132 675435264 /nfs/dbraw/zinc/43/52/64/675435264.db2.gz JPXJQYPDTBCQGL-UHFFFAOYSA-N -1 1 360.761 2.272 20 0 FEADMM CCc1cnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC000821499688 675438203 /nfs/dbraw/zinc/43/82/03/675438203.db2.gz OTMSWTSETHKWSB-UHFFFAOYSA-N -1 1 356.773 2.434 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1Cl)c1cccnc1Cl ZINC000823583360 675561594 /nfs/dbraw/zinc/56/15/94/675561594.db2.gz PBMHGJMLDPNXTH-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM CC(C)OCCCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824314446 675594864 /nfs/dbraw/zinc/59/48/64/675594864.db2.gz AOMMTAXBHZTQLQ-UHFFFAOYSA-N -1 1 373.866 2.004 20 0 FEADMM CC(C)OCCCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824314446 675594867 /nfs/dbraw/zinc/59/48/67/675594867.db2.gz AOMMTAXBHZTQLQ-UHFFFAOYSA-N -1 1 373.866 2.004 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC000824345075 675596443 /nfs/dbraw/zinc/59/64/43/675596443.db2.gz BVZNYPRBXFKOGJ-FOCJUVANSA-N -1 1 362.392 2.394 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc2c[nH]ccc-2n1 ZINC000824344957 675596482 /nfs/dbraw/zinc/59/64/82/675596482.db2.gz AOMPQBOPRBLFIN-MWLCHTKSSA-N -1 1 354.332 2.235 20 0 FEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@@H](O)C(F)(F)C3)c2)o1 ZINC000824979766 675632088 /nfs/dbraw/zinc/63/20/88/675632088.db2.gz YSVHTASBPVJSAB-OAHLLOKOSA-N -1 1 351.305 2.307 20 0 FEADMM CCC(CC)c1nnc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)s1 ZINC000825115405 675637549 /nfs/dbraw/zinc/63/75/49/675637549.db2.gz XONPMKQQMQLXTG-UHFFFAOYSA-N -1 1 362.419 2.099 20 0 FEADMM CCC(CC)c1nnc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)s1 ZINC000825115405 675637550 /nfs/dbraw/zinc/63/75/50/675637550.db2.gz XONPMKQQMQLXTG-UHFFFAOYSA-N -1 1 362.419 2.099 20 0 FEADMM Clc1nsc(N2CCO[C@@H](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826353755 675686591 /nfs/dbraw/zinc/68/65/91/675686591.db2.gz CMBKHAKZKPDEMW-NSHDSACASA-N -1 1 362.846 2.425 20 0 FEADMM Clc1nsc(N2CCO[C@@H](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826353755 675686593 /nfs/dbraw/zinc/68/65/93/675686593.db2.gz CMBKHAKZKPDEMW-NSHDSACASA-N -1 1 362.846 2.425 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3c(s2)CCCCC3)c1-c1nnn[n-]1 ZINC000826349165 675686739 /nfs/dbraw/zinc/68/67/39/675686739.db2.gz XJYLSGKLQAROEG-UHFFFAOYSA-N -1 1 359.415 2.070 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3c(s2)CCCCC3)c1-c1nn[n-]n1 ZINC000826349165 675686742 /nfs/dbraw/zinc/68/67/42/675686742.db2.gz XJYLSGKLQAROEG-UHFFFAOYSA-N -1 1 359.415 2.070 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826472612 675689163 /nfs/dbraw/zinc/68/91/63/675689163.db2.gz QAOYAFIWOHMJDE-ZDUSSCGKSA-N -1 1 355.423 2.012 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826472612 675689165 /nfs/dbraw/zinc/68/91/65/675689165.db2.gz QAOYAFIWOHMJDE-ZDUSSCGKSA-N -1 1 355.423 2.012 20 0 FEADMM C[C@@H]1CCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826686143 675700271 /nfs/dbraw/zinc/70/02/71/675700271.db2.gz NPUXUICAROZOEN-VZZFWQQMSA-N -1 1 362.392 2.250 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000827162192 675735108 /nfs/dbraw/zinc/73/51/08/675735108.db2.gz IAXXHPBSYWAJKO-KGLIPLIRSA-N -1 1 360.483 2.196 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)c1Cl ZINC000827897592 675785959 /nfs/dbraw/zinc/78/59/59/675785959.db2.gz YWPDRASRHPMBIF-SNVBAGLBSA-N -1 1 373.887 2.295 20 0 FEADMM CC(C)CCc1nnc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1C ZINC000828310521 675812279 /nfs/dbraw/zinc/81/22/79/675812279.db2.gz WIFLYZOUIYQDNW-NEPJUHHUSA-N -1 1 361.412 2.297 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)CC4)cc2o1 ZINC000607616634 675871016 /nfs/dbraw/zinc/87/10/16/675871016.db2.gz BVSPOTAPVAFSHX-UHFFFAOYSA-N -1 1 359.363 2.219 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cn1 ZINC000829645429 675885895 /nfs/dbraw/zinc/88/58/95/675885895.db2.gz JYDMXQNKDUMRPU-UHFFFAOYSA-N -1 1 364.423 2.449 20 0 FEADMM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000616945214 676263817 /nfs/dbraw/zinc/26/38/17/676263817.db2.gz QDWFIGSYYMQBDQ-UHFFFAOYSA-N -1 1 353.400 2.012 20 0 FEADMM CC[C@@H](COCC1CC1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617327635 676280174 /nfs/dbraw/zinc/28/01/74/676280174.db2.gz SQMURBTXYNDGQD-ZDUSSCGKSA-N -1 1 372.487 2.291 20 0 FEADMM C[C@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CS1(=O)=O ZINC000618326476 676333517 /nfs/dbraw/zinc/33/35/17/676333517.db2.gz UMUASJMYGCIMDJ-WPRPVWTQSA-N -1 1 351.346 2.107 20 0 FEADMM NC(=O)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000619855816 676397431 /nfs/dbraw/zinc/39/74/31/676397431.db2.gz QVKXOXUSMJBBLO-UHFFFAOYSA-N -1 1 371.777 2.088 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)c2ccccc2C)o1 ZINC000620184070 676409511 /nfs/dbraw/zinc/40/95/11/676409511.db2.gz SCAVZOGDSMMKNE-UHFFFAOYSA-N -1 1 358.366 2.018 20 0 FEADMM O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000622745954 676504879 /nfs/dbraw/zinc/50/48/79/676504879.db2.gz BEDIDSCQNNYVBP-UHFFFAOYSA-N -1 1 364.398 2.319 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3SCCc4sccc43)nc2n1 ZINC000622993985 676514515 /nfs/dbraw/zinc/51/45/15/676514515.db2.gz ADYJZLAWOIJJSY-GFCCVEGCSA-N -1 1 361.452 2.011 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)C3CCC(C(F)(F)F)CC3)nc2n1 ZINC000622993194 676514528 /nfs/dbraw/zinc/51/45/28/676514528.db2.gz FFFYWWWPZSJHJM-UHFFFAOYSA-N -1 1 357.336 2.287 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000677549712 679685621 /nfs/dbraw/zinc/68/56/21/679685621.db2.gz ZDCBNAGAJHXAGL-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM Cc1ccc(-c2nc(C(=O)NC3(c4nn[n-]n4)CCCC3)cs2)n1C ZINC000677554664 679685778 /nfs/dbraw/zinc/68/57/78/679685778.db2.gz RBSTWQHQKVPVGC-UHFFFAOYSA-N -1 1 357.443 2.169 20 0 FEADMM O=S(=O)([N-]C[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1F ZINC000625329366 676639936 /nfs/dbraw/zinc/63/99/36/676639936.db2.gz FPVBICOZWMCBGH-NSHDSACASA-N -1 1 355.288 2.243 20 0 FEADMM O=S(=O)([N-]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1F ZINC000625329365 676639961 /nfs/dbraw/zinc/63/99/61/676639961.db2.gz FPVBICOZWMCBGH-LLVKDONJSA-N -1 1 355.288 2.243 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)c(F)c1 ZINC000625332914 676640364 /nfs/dbraw/zinc/64/03/64/676640364.db2.gz PCHAGIMWGCNJKM-AWEZNQCLSA-N -1 1 369.389 2.393 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC[C@H]1C(=O)[O-] ZINC000626744023 676720319 /nfs/dbraw/zinc/72/03/19/676720319.db2.gz AHQNPZDGCHOWSA-WQVCFCJDSA-N -1 1 351.422 2.181 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2cnn([C@H](C)CC)c2C)CCOCC1 ZINC000629295547 676842171 /nfs/dbraw/zinc/84/21/71/676842171.db2.gz MDXSQVLYUCWWTF-CYBMUJFWSA-N -1 1 359.492 2.490 20 0 FEADMM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC(F)(F)F ZINC000629351361 676850552 /nfs/dbraw/zinc/85/05/52/676850552.db2.gz NPFOWQDLDLPRKO-UHFFFAOYSA-N -1 1 353.240 2.434 20 0 FEADMM C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000630127704 676883793 /nfs/dbraw/zinc/88/37/93/676883793.db2.gz UTFDDYUTSXHJFN-RNCFNFMXSA-N -1 1 366.215 2.293 20 0 FEADMM O=C(CCc1nn[n-]n1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000630637945 676912804 /nfs/dbraw/zinc/91/28/04/676912804.db2.gz LUDYZQPAMOIFST-UHFFFAOYSA-N -1 1 354.336 2.390 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000630868370 676924586 /nfs/dbraw/zinc/92/45/86/676924586.db2.gz OGXSSEOWDFZYDG-CYBMUJFWSA-N -1 1 354.859 2.112 20 0 FEADMM CC(C)c1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c([O-])c1 ZINC000678310753 679724193 /nfs/dbraw/zinc/72/41/93/679724193.db2.gz ODQILRLHRGAQSX-UHFFFAOYSA-N -1 1 360.435 2.366 20 0 FEADMM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC000631460095 676945415 /nfs/dbraw/zinc/94/54/15/676945415.db2.gz ZYTXSGJQWIKFKZ-HZPDHXFCSA-N -1 1 353.846 2.367 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N(C)Cc2c(C)nc3sccn23)c1 ZINC000631896170 676962571 /nfs/dbraw/zinc/96/25/71/676962571.db2.gz QFXUYPABAHYQRN-UHFFFAOYSA-N -1 1 367.452 2.239 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC1 ZINC000631964137 676967256 /nfs/dbraw/zinc/96/72/56/676967256.db2.gz VIJBRUQWZMKQNN-UHFFFAOYSA-N -1 1 350.387 2.144 20 0 FEADMM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000632004838 676970146 /nfs/dbraw/zinc/97/01/46/676970146.db2.gz WSJZKSJILKSQGP-NSHDSACASA-N -1 1 361.366 2.244 20 0 FEADMM CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000632019764 676970930 /nfs/dbraw/zinc/97/09/30/676970930.db2.gz GRECSLDJFMPGPX-UHFFFAOYSA-N -1 1 358.366 2.098 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)sn1 ZINC000632151253 676978668 /nfs/dbraw/zinc/97/86/68/676978668.db2.gz BYXHSIYWLQLLQE-NSHDSACASA-N -1 1 366.386 2.482 20 0 FEADMM O=S(=O)([N-]CCOC(F)(F)F)c1cscc1Br ZINC000632266441 676984567 /nfs/dbraw/zinc/98/45/67/676984567.db2.gz DNAIVHBWWPHDLX-UHFFFAOYSA-N -1 1 354.169 2.325 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)sn1 ZINC000632364410 676990273 /nfs/dbraw/zinc/99/02/73/676990273.db2.gz SNUDDYDKIQNZRV-UHFFFAOYSA-N -1 1 351.375 2.386 20 0 FEADMM COCCC[C@H](CNC(=O)CCc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000633000964 677025321 /nfs/dbraw/zinc/02/53/21/677025321.db2.gz 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680499817 /nfs/dbraw/zinc/49/98/17/680499817.db2.gz NIRYDYVBBJQNQS-AWEZNQCLSA-N -1 1 360.797 2.107 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CCOC[C@@H]2C)c1 ZINC000836743629 680506280 /nfs/dbraw/zinc/50/62/80/680506280.db2.gz VMCGUQYAYXGUAJ-NSHDSACASA-N -1 1 359.348 2.426 20 0 FEADMM O=C([N-][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CCCC2)CC1)C(F)(F)F ZINC000836835944 680520543 /nfs/dbraw/zinc/52/05/43/680520543.db2.gz FPKFBNWUXSXFBX-KGLIPLIRSA-N -1 1 360.376 2.171 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)o1 ZINC000759068024 680624680 /nfs/dbraw/zinc/62/46/80/680624680.db2.gz DJDPWCDHJALDCN-SECBINFHSA-N -1 1 366.233 2.006 20 0 FEADMM CC[C@H](SC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001007355806 680636221 /nfs/dbraw/zinc/63/62/21/680636221.db2.gz DKHRCFVWPDOEGY-YEWDVWPNSA-N -1 1 363.483 2.040 20 0 FEADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)[C@H]1COCC12OCCO2 ZINC000837992392 680666930 /nfs/dbraw/zinc/66/69/30/680666930.db2.gz XSLMOVAQOKDREE-CYBMUJFWSA-N -1 1 355.818 2.191 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YYQFSZWLLYRTMC-UHFFFAOYSA-N -1 1 358.891 2.121 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc32)CCC1 ZINC000843017312 680982437 /nfs/dbraw/zinc/98/24/37/680982437.db2.gz BHZKLIDFZOLFKB-OAHLLOKOSA-N -1 1 350.484 2.037 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)c(=O)[nH]c1=O ZINC000769634341 680989560 /nfs/dbraw/zinc/98/95/60/680989560.db2.gz WIWCYUQYCBJJSR-KGLIPLIRSA-N -1 1 371.503 2.386 20 0 FEADMM COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769694547 680991637 /nfs/dbraw/zinc/99/16/37/680991637.db2.gz VFQORYVJBPRDSP-UHFFFAOYSA-N -1 1 352.387 2.421 20 0 FEADMM Cn1nccc1[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)OC(C)(C)C ZINC000843727579 681015165 /nfs/dbraw/zinc/01/51/65/681015165.db2.gz DPWXEJAHFICNHM-JTQLQIEISA-N -1 1 372.397 2.168 20 0 FEADMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(=O)[nH][n-]1 ZINC000770411961 681015471 /nfs/dbraw/zinc/01/54/71/681015471.db2.gz NBXMVUGHMSLMIV-UHFFFAOYSA-N -1 1 361.230 2.031 20 0 FEADMM CC[C@@H]1CCCC[C@H]1OCCOC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000770935502 681033217 /nfs/dbraw/zinc/03/32/17/681033217.db2.gz PLUPSGDJVWTKOH-TZMCWYRMSA-N -1 1 359.444 2.330 20 0 FEADMM CCOC(=O)N1CCC[C@H](C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000771573595 681060386 /nfs/dbraw/zinc/06/03/86/681060386.db2.gz AYQDGKHWNINHPP-VIFPVBQESA-N -1 1 372.219 2.357 20 0 FEADMM COC(=O)N[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C(C)C ZINC000771597735 681061896 /nfs/dbraw/zinc/06/18/96/681061896.db2.gz RHEVMAALTXQXRA-NSHDSACASA-N -1 1 367.793 2.150 20 0 FEADMM COC(=O)N[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C(C)C ZINC000771597735 681061899 /nfs/dbraw/zinc/06/18/99/681061899.db2.gz RHEVMAALTXQXRA-NSHDSACASA-N -1 1 367.793 2.150 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc(NC(C)=O)c1C ZINC000844644791 681069977 /nfs/dbraw/zinc/06/99/77/681069977.db2.gz CFJHHUODEGQRKE-HNNXBMFYSA-N -1 1 356.444 2.427 20 0 FEADMM O=C(c1ccc2ccc(Cl)cc2n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773160750 681128400 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CS(=O)(=O)CCCN1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000903635872 690946271 /nfs/dbraw/zinc/94/62/71/690946271.db2.gz NHTIIYDEAHMLHM-UHFFFAOYSA-N -1 1 364.467 2.480 20 0 FEADMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]2C(=O)[O-] ZINC000903694786 690963846 /nfs/dbraw/zinc/96/38/46/690963846.db2.gz GLZCCRCODLOPGG-JKIHBJTHSA-N -1 1 371.792 2.271 20 0 FEADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000903998359 690993477 /nfs/dbraw/zinc/99/34/77/690993477.db2.gz MZNBXEWGLOUUCM-AWEZNQCLSA-N -1 1 369.464 2.466 20 0 FEADMM CS(=O)(=O)c1ccc(CNCc2cccc(CCC(=O)[O-])c2)s1 ZINC000904025980 690995613 /nfs/dbraw/zinc/99/56/13/690995613.db2.gz MJBNCPHZLAUCGG-UHFFFAOYSA-N -1 1 353.465 2.459 20 0 FEADMM O=S1(=O)C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)[C@H](C(F)(F)F)C1 ZINC000904048435 690997634 /nfs/dbraw/zinc/99/76/34/690997634.db2.gz ABQUZXLBGGOGNE-HTQZYQBOSA-N -1 1 366.292 2.272 20 0 FEADMM COc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1OC(F)F ZINC000904049150 690998294 /nfs/dbraw/zinc/99/82/94/690998294.db2.gz WVSOOFNISGANQK-AWEZNQCLSA-N -1 1 355.341 2.254 20 0 FEADMM CC(C)(Cc1ccc(Cl)cc1)c1noc([C@@]2(C(=O)[O-])CNCCO2)n1 ZINC000904733292 691043193 /nfs/dbraw/zinc/04/31/93/691043193.db2.gz GVONHOAOOATFJK-QGZVFWFLSA-N -1 1 365.817 2.143 20 0 FEADMM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc3c(s2)CCC3)C1=O ZINC000906468540 691273559 /nfs/dbraw/zinc/27/35/59/691273559.db2.gz HEZKOLDPLCHFLC-SFHVURJKSA-N -1 1 355.419 2.349 20 0 FEADMM CCCN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)C1 ZINC000907043709 691378989 /nfs/dbraw/zinc/37/89/89/691378989.db2.gz VONPNGSYZXPXRO-OAHLLOKOSA-N -1 1 366.483 2.026 20 0 FEADMM CC1(C)C[C@H]([N-]C(=O)C(F)(F)c2ncccc2Br)C(=O)O1 ZINC000907114351 691398722 /nfs/dbraw/zinc/39/87/22/691398722.db2.gz NTODFIZGKBUTDW-QMMMGPOBSA-N -1 1 363.158 2.146 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C(F)(F)C(F)(F)F)c1coc2ccccc21 ZINC000907392563 691469693 /nfs/dbraw/zinc/46/96/93/691469693.db2.gz DSVGABARDJNNCF-SNVBAGLBSA-N -1 1 359.272 2.270 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(Br)o1 ZINC000907469030 691490866 /nfs/dbraw/zinc/49/08/66/691490866.db2.gz GCKLPJREJOGHIE-VHSXEESVSA-N -1 1 350.234 2.278 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC[C@@H](C2CC2)O1)c1ncccc1Br ZINC000907470987 691491329 /nfs/dbraw/zinc/49/13/29/691491329.db2.gz LKTJSUPXXLRGJN-JQWIXIFHSA-N -1 1 361.261 2.080 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC[C@H](C2CC2)O1)c1ncccc1Br ZINC000907470984 691491393 /nfs/dbraw/zinc/49/13/93/691491393.db2.gz LKTJSUPXXLRGJN-CMPLNLGQSA-N -1 1 361.261 2.080 20 0 FEADMM O=C(Cc1nc(-c2ccccc2)cs1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479819 691496859 /nfs/dbraw/zinc/49/68/59/691496859.db2.gz IQOOGADEVKUJRX-ZDUSSCGKSA-N -1 1 372.479 2.182 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481104 691497628 /nfs/dbraw/zinc/49/76/28/691497628.db2.gz ZKMJMIPUPGYGLE-KBVBSXBZSA-N -1 1 369.372 2.037 20 0 FEADMM COc1ccc(C=C(C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1F ZINC000907481091 691498053 /nfs/dbraw/zinc/49/80/53/691498053.db2.gz ZDVBOIGFWDSGAL-UTSBKAFOSA-N -1 1 363.418 2.067 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CCF)c1)c1sccc1Br ZINC000907648022 691532126 /nfs/dbraw/zinc/53/21/26/691532126.db2.gz ABNKLRABJNMTNK-UHFFFAOYSA-N -1 1 368.253 2.155 20 0 FEADMM COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC000907684427 691539550 /nfs/dbraw/zinc/53/95/50/691539550.db2.gz MQFVCUJDXKUQPE-PFWNZEGQSA-N -1 1 361.822 2.345 20 0 FEADMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCNC1=O ZINC000907806373 691564166 /nfs/dbraw/zinc/56/41/66/691564166.db2.gz KNDWURRHMOCDEU-LLVKDONJSA-N -1 1 357.646 2.204 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2c(C)cccc2F)[n-]c1=O ZINC000908015665 691598707 /nfs/dbraw/zinc/59/87/07/691598707.db2.gz CPZCGBVGEPGDHN-GFCCVEGCSA-N -1 1 367.402 2.164 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2sccc2C)[n-]c1=O ZINC000908016463 691598920 /nfs/dbraw/zinc/59/89/20/691598920.db2.gz LMUULUKYNJPYSF-SNVBAGLBSA-N -1 1 355.441 2.087 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)[n-]c1=O ZINC000908015658 691598928 /nfs/dbraw/zinc/59/89/28/691598928.db2.gz CNYPFXCVWGRDTN-CYBMUJFWSA-N -1 1 367.402 2.164 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1cc(F)ccc1OC)CCO2 ZINC000908018889 691600196 /nfs/dbraw/zinc/60/01/96/691600196.db2.gz TYUGUZRNEFOTOR-SJORKVTESA-N -1 1 373.446 2.330 20 0 FEADMM CC1(C)COC(=O)[C@@H]1[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908156712 691626414 /nfs/dbraw/zinc/62/64/14/691626414.db2.gz JCADTCJWSMRBNP-VIFPVBQESA-N -1 1 363.158 2.004 20 0 FEADMM CN(CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)[C@@H]1CCSC1 ZINC000908222758 691640247 /nfs/dbraw/zinc/64/02/47/691640247.db2.gz YNVVHAWZHSXOAO-CQSZACIVSA-N -1 1 362.451 2.227 20 0 FEADMM CS(=O)(=O)CC1(CC(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908713975 691717494 /nfs/dbraw/zinc/71/74/94/691717494.db2.gz XONQKNXWXOVFLK-UHFFFAOYSA-N -1 1 362.245 2.308 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000908717713 691717999 /nfs/dbraw/zinc/71/79/99/691717999.db2.gz MSOJPXHOIGDNAN-OWUUHHOZSA-N -1 1 374.256 2.449 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000908820979 691735376 /nfs/dbraw/zinc/73/53/76/691735376.db2.gz WZUJCCHZAOSIIT-DAXOMENPSA-N -1 1 351.422 2.323 20 0 FEADMM C[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1cccc(Cl)c1 ZINC000908832942 691737440 /nfs/dbraw/zinc/73/74/40/691737440.db2.gz VRESUGFYRUELFO-CHWSQXEVSA-N -1 1 354.834 2.020 20 0 FEADMM C[C@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)Oc1ccccc1Cl ZINC000908832758 691737610 /nfs/dbraw/zinc/73/76/10/691737610.db2.gz PFYDYOWBFHGYJL-OLZOCXBDSA-N -1 1 354.834 2.020 20 0 FEADMM O=C([O-])C[C@H](NC(=O)CCc1cnc[nH]1)c1ccc(Br)cc1 ZINC000908849749 691739973 /nfs/dbraw/zinc/73/99/73/691739973.db2.gz STAQPJVBRXCOBJ-ZDUSSCGKSA-N -1 1 366.215 2.437 20 0 FEADMM CN1CCCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908910154 691751293 /nfs/dbraw/zinc/75/12/93/691751293.db2.gz GGLVRXBLQRVSBA-STQMWFEESA-N -1 1 355.232 2.175 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nn(C)cc1C ZINC000908931431 691755226 /nfs/dbraw/zinc/75/52/26/691755226.db2.gz QMWOMNQVBFBTBK-UHFFFAOYSA-N -1 1 351.428 2.237 20 0 FEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000908979937 691761013 /nfs/dbraw/zinc/76/10/13/691761013.db2.gz AQGVQZCYZVSITH-SECBINFHSA-N -1 1 351.325 2.018 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CCSC1)c1ccc(Cl)cc1 ZINC000909122700 691781341 /nfs/dbraw/zinc/78/13/41/691781341.db2.gz NSEHGPYGCNJZOY-BBRMVZONSA-N -1 1 371.890 2.202 20 0 FEADMM CC[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC000909125116 691782270 /nfs/dbraw/zinc/78/22/70/691782270.db2.gz BBDTVNDVEWDDHS-QWHCGFSZSA-N -1 1 361.364 2.471 20 0 FEADMM CN(CC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)C1CCC1 ZINC000909323653 691807163 /nfs/dbraw/zinc/80/71/63/691807163.db2.gz UFZBVLHAOZTJIP-INIZCTEOSA-N -1 1 369.259 2.349 20 0 FEADMM CN(CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[C@@H]1CCSC1 ZINC000909331106 691808888 /nfs/dbraw/zinc/80/88/88/691808888.db2.gz GOIHJDAOURSEPP-CQSZACIVSA-N -1 1 352.456 2.306 20 0 FEADMM CN(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)[C@@H]1CCSC1 ZINC000909342456 691809778 /nfs/dbraw/zinc/80/97/78/691809778.db2.gz NUKNHWDGDDMFRJ-RISCZKNCSA-N -1 1 358.410 2.034 20 0 FEADMM O=C([O-])[C@]1(NC(=O)c2cc(Br)cc3nc[nH]c32)CCSC1 ZINC000909358220 691811550 /nfs/dbraw/zinc/81/15/50/691811550.db2.gz QXPLKTJRVGWTNG-ZDUSSCGKSA-N -1 1 370.228 2.016 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCCCOc2ccc(Cl)cc2)C1 ZINC000909399622 691817928 /nfs/dbraw/zinc/81/79/28/691817928.db2.gz UKPAPGXGBFFSCA-CQSZACIVSA-N -1 1 368.861 2.412 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1cc([O-])c(F)cc1F ZINC000909976473 691877904 /nfs/dbraw/zinc/87/79/04/691877904.db2.gz AJGWDEAFYCGHAJ-CORIIIEPSA-N -1 1 371.409 2.335 20 0 FEADMM CCOc1cc(C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000910179864 691897052 /nfs/dbraw/zinc/89/70/52/691897052.db2.gz HFKIRZHBKOJIGI-UHFFFAOYSA-N -1 1 370.833 2.065 20 0 FEADMM O=C([O-])c1ccc(F)c2c1CN(C(=O)c1n[nH]cc1C(F)(F)F)CC2 ZINC000910210170 691900995 /nfs/dbraw/zinc/90/09/95/691900995.db2.gz SKVOFZYFQGPNHX-UHFFFAOYSA-N -1 1 357.263 2.464 20 0 FEADMM CCC(CC)[C@@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)N1CCOCC1 ZINC000780396401 939115189 /nfs/dbraw/zinc/11/51/89/939115189.db2.gz ZDRMMTBITZHJKS-MRXNPFEDSA-N -1 1 369.506 2.210 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000908761380 939316426 /nfs/dbraw/zinc/31/64/26/939316426.db2.gz ROIVPVNITRQSSY-SJORKVTESA-N -1 1 369.506 2.066 20 0 FEADMM C[C@H](CN1CCOCC1)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909528046 939402669 /nfs/dbraw/zinc/40/26/69/939402669.db2.gz LXXCLHJOAQWUKZ-KDOFPFPSSA-N -1 1 356.422 2.050 20 0 FEADMM Cc1cc(C)cc([C@@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])c1 ZINC000909795298 939734023 /nfs/dbraw/zinc/73/40/23/939734023.db2.gz XLAYPVYVPJDYSP-NKELODKYSA-N -1 1 374.481 2.436 20 0 FEADMM O=C([O-])[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1cccc(C(F)(F)F)c1 ZINC000910379243 939754807 /nfs/dbraw/zinc/75/48/07/939754807.db2.gz AWNMXDSUVADYPJ-HZMBPMFUSA-N -1 1 367.327 2.476 20 0 FEADMM CCc1nocc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123379422 939824385 /nfs/dbraw/zinc/82/43/85/939824385.db2.gz VAEFHMBPMVUTFF-IBGZPJMESA-N -1 1 357.410 2.086 20 0 FEADMM C[C@@H]1CC[C@](NC(=O)CN(C)[C@H]2CCSC2)(C(=O)[O-])c2ccccc21 ZINC001123397351 939825362 /nfs/dbraw/zinc/82/53/62/939825362.db2.gz FMSNQVHHDDZYBT-BIENJYKASA-N -1 1 362.495 2.417 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H](C(=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000663104544 939855176 /nfs/dbraw/zinc/85/51/76/939855176.db2.gz LXMMQQYFBUWRSS-IYOUNJFTSA-N -1 1 360.454 2.023 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H](F)C(F)(F)F)o1 ZINC000800134073 674023313 /nfs/dbraw/zinc/02/33/13/674023313.db2.gz ARIWKGBJUADJSO-MRVPVSSYSA-N -1 1 361.313 2.414 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1nn(-c2ccc(F)cc2)cc1C ZINC000509283507 538946553 /nfs/dbraw/zinc/94/65/53/538946553.db2.gz GGMYFYMMADIONO-UHFFFAOYSA-N -1 1 371.372 2.482 20 0 FEADMM COc1c(C)cc(C)cc1S(=O)(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000509382399 538948530 /nfs/dbraw/zinc/94/85/30/538948530.db2.gz CSHSULWVVXDIJU-UHFFFAOYSA-N -1 1 361.370 2.448 20 0 FEADMM CC1(C)COCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000230890396 548761072 /nfs/dbraw/zinc/76/10/72/548761072.db2.gz LPIGFSRTQCHLCD-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000800418025 674050942 /nfs/dbraw/zinc/05/09/42/674050942.db2.gz WFHVUKVBGNGJJC-UHFFFAOYSA-N -1 1 359.407 2.307 20 0 FEADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000018994512 539650624 /nfs/dbraw/zinc/65/06/24/539650624.db2.gz QVNCISKRNWEBTJ-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM Cn1c(CC(C)(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000800728789 674072311 /nfs/dbraw/zinc/07/23/11/674072311.db2.gz CNMLBDJTIXBERN-UHFFFAOYSA-N -1 1 361.412 2.299 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000029044942 539841347 /nfs/dbraw/zinc/84/13/47/539841347.db2.gz SMXDYEJHUYVTRN-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1F ZINC000032592691 539944303 /nfs/dbraw/zinc/94/43/03/539944303.db2.gz KNRKLWDMASZDNL-UHFFFAOYSA-N -1 1 362.386 2.431 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000032589968 539943744 /nfs/dbraw/zinc/94/37/44/539943744.db2.gz FIKQHJGWMCISKW-UHFFFAOYSA-N -1 1 353.375 2.386 20 0 FEADMM CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cncc([O-])c1 ZINC000550292690 674088653 /nfs/dbraw/zinc/08/86/53/674088653.db2.gz ZNUCIBAZWMOSRF-DOMZBBRYSA-N -1 1 351.472 2.243 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCc1cccs1 ZINC000042091905 540050199 /nfs/dbraw/zinc/05/01/99/540050199.db2.gz BMWVJNXQWNDSHA-UHFFFAOYSA-N -1 1 354.435 2.103 20 0 FEADMM O=S(=O)([N-]CCN1CCCCC1)c1sccc1Br ZINC000042350550 540060439 /nfs/dbraw/zinc/06/04/39/540060439.db2.gz YIUWTICOWJYDEQ-UHFFFAOYSA-N -1 1 353.307 2.275 20 0 FEADMM O=S(=O)([N-]CCCn1ccnc1)c1sccc1Br ZINC000042350748 540059982 /nfs/dbraw/zinc/05/99/82/540059982.db2.gz KZJDCABDMKMKEU-UHFFFAOYSA-N -1 1 350.263 2.076 20 0 FEADMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000044894893 540144357 /nfs/dbraw/zinc/14/43/57/540144357.db2.gz JARGOJQYXFIVKW-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NCCc2cn3c(n2)CCCC3)[n-]n1 ZINC000533205147 540215620 /nfs/dbraw/zinc/21/56/20/540215620.db2.gz FTKBCIGBNVWDRN-UHFFFAOYSA-N -1 1 354.458 2.336 20 0 FEADMM Nc1nccnc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119701 540290734 /nfs/dbraw/zinc/29/07/34/540290734.db2.gz GTEBPKCEHNBBAK-UHFFFAOYSA-N -1 1 369.406 2.112 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000048139337 540347368 /nfs/dbraw/zinc/34/73/68/540347368.db2.gz XNWHUAVPIUFUBL-VIFPVBQESA-N -1 1 374.365 2.280 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(F)c3)cc2n(C)c1=O ZINC000050532183 540407483 /nfs/dbraw/zinc/40/74/83/540407483.db2.gz GFYOGSKMWFQJNM-UHFFFAOYSA-N -1 1 369.805 2.470 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c2cccnc12 ZINC000055569277 540659985 /nfs/dbraw/zinc/65/99/85/540659985.db2.gz STAJKYCHQZAILM-UHFFFAOYSA-N -1 1 357.391 2.143 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 ZINC000055616592 540663796 /nfs/dbraw/zinc/66/37/96/540663796.db2.gz ICLCPGQJDSJVTM-UHFFFAOYSA-N -1 1 361.423 2.243 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc4n(c(=O)c3c2)CCC4)c1 ZINC000055587570 540661522 /nfs/dbraw/zinc/66/15/22/540661522.db2.gz ZYJULALWDUAENK-UHFFFAOYSA-N -1 1 355.419 2.452 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000055586834 540661806 /nfs/dbraw/zinc/66/18/06/540661806.db2.gz GHZSTTZVHLGRRF-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000055631239 540665736 /nfs/dbraw/zinc/66/57/36/540665736.db2.gz OKOCVXDIZVKYCM-UHFFFAOYSA-N -1 1 370.377 2.233 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)c1 ZINC000055652079 540667931 /nfs/dbraw/zinc/66/79/31/540667931.db2.gz KTRCSGBTVCVKEJ-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C1Cc2ccccc2C1 ZINC000056300052 540717056 /nfs/dbraw/zinc/71/70/56/540717056.db2.gz HGMVUWGFDSVWPM-UHFFFAOYSA-N -1 1 374.444 2.309 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1csc(=NC2CC2)[n-]1 ZINC000537731445 540766355 /nfs/dbraw/zinc/76/63/55/540766355.db2.gz SWTLOCSZBBZNOC-JTQLQIEISA-N -1 1 366.874 2.347 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2n(C)c1=O ZINC000064477773 541207049 /nfs/dbraw/zinc/20/70/49/541207049.db2.gz PATDCDMWEBDFSQ-UHFFFAOYSA-N -1 1 351.815 2.331 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cnc(C(C)(C)C)nc2)c(=O)[n-]1 ZINC000064328108 541201669 /nfs/dbraw/zinc/20/16/69/541201669.db2.gz AKNKMWWVOIDRAU-UHFFFAOYSA-N -1 1 361.471 2.459 20 0 FEADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000064467680 541206393 /nfs/dbraw/zinc/20/63/93/541206393.db2.gz CDDXPVMBRVUMJQ-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000065834242 541265878 /nfs/dbraw/zinc/26/58/78/541265878.db2.gz IQMOXBRHHWGXPW-UHFFFAOYSA-N -1 1 362.407 2.487 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000542200320 541356491 /nfs/dbraw/zinc/35/64/91/541356491.db2.gz JDGSSTZLIPJIRO-LBPRGKRZSA-N -1 1 357.414 2.090 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066848811 541380501 /nfs/dbraw/zinc/38/05/01/541380501.db2.gz DGYTYJIPZMNJNE-SFHVURJKSA-N -1 1 372.396 2.164 20 0 FEADMM CCn1c(CNC(=O)C2(c3cccc(F)c3)CCOCC2)n[n-]c1=S ZINC000067050711 541410831 /nfs/dbraw/zinc/41/08/31/541410831.db2.gz NPDHIFFKWACUTB-UHFFFAOYSA-N -1 1 364.446 2.464 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)n[n-]c1=S ZINC000067071836 541414193 /nfs/dbraw/zinc/41/41/93/541414193.db2.gz LJYYEOLLNRQJHH-SNVBAGLBSA-N -1 1 371.532 2.085 20 0 FEADMM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2nnn[n-]2)c2ccccc2)cc1 ZINC000067137619 541422604 /nfs/dbraw/zinc/42/26/04/541422604.db2.gz DNXHVLLXGFLGDE-OAHLLOKOSA-N -1 1 350.382 2.008 20 0 FEADMM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2nn[n-]n2)c2ccccc2)cc1 ZINC000067137619 541422606 /nfs/dbraw/zinc/42/26/06/541422606.db2.gz DNXHVLLXGFLGDE-OAHLLOKOSA-N -1 1 350.382 2.008 20 0 FEADMM CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300304 541676296 /nfs/dbraw/zinc/67/62/96/541676296.db2.gz VSCACWWFZGQIDD-NEPJUHHUSA-N -1 1 356.492 2.004 20 0 FEADMM COc1ccccc1OC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000069834172 541717568 /nfs/dbraw/zinc/71/75/68/541717568.db2.gz RCIIHCSNEVXKKS-UHFFFAOYSA-N -1 1 351.362 2.297 20 0 FEADMM Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000070783427 541743556 /nfs/dbraw/zinc/74/35/56/541743556.db2.gz OARHGOAOXDAHIB-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])NC1CCCC1 ZINC000801375988 674124726 /nfs/dbraw/zinc/12/47/26/674124726.db2.gz VEHMYLKASVNWAC-UHFFFAOYSA-N -1 1 363.801 2.447 20 0 FEADMM O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374727 674124810 /nfs/dbraw/zinc/12/48/10/674124810.db2.gz RPJVOXGOJNGPSL-LBPRGKRZSA-N -1 1 362.769 2.484 20 0 FEADMM Cc1cccc(-n2cc([O-])c(C(=O)OC[C@H](C)CS(C)(=O)=O)n2)c1C ZINC000801418831 674126226 /nfs/dbraw/zinc/12/62/26/674126226.db2.gz TZBIDIRIOKAJKF-NSHDSACASA-N -1 1 366.439 2.032 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1cccc2cccnc21 ZINC000074161955 542045133 /nfs/dbraw/zinc/04/51/33/542045133.db2.gz RPJRWBCQBMOUFH-UHFFFAOYSA-N -1 1 361.405 2.047 20 0 FEADMM O=c1ncccn1Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000077958107 542433923 /nfs/dbraw/zinc/43/39/23/542433923.db2.gz UIOMDRIZKUGMBB-UHFFFAOYSA-N -1 1 359.382 2.232 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](C)S1 ZINC000080956368 542618883 /nfs/dbraw/zinc/61/88/83/542618883.db2.gz BMSYYFHCIVTEFJ-PHIMTYICSA-N -1 1 360.501 2.322 20 0 FEADMM CC(C)(C)[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000093098362 542909043 /nfs/dbraw/zinc/90/90/43/542909043.db2.gz BXECLLCVHRBENG-LLVKDONJSA-N -1 1 360.349 2.217 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)ccc12 ZINC000093909466 542944978 /nfs/dbraw/zinc/94/49/78/542944978.db2.gz AAFCHDMDTAZBEZ-UHFFFAOYSA-N -1 1 356.411 2.262 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4c(C)[nH]nc4c3)cc12 ZINC000093909466 542944980 /nfs/dbraw/zinc/94/49/80/542944980.db2.gz AAFCHDMDTAZBEZ-UHFFFAOYSA-N -1 1 356.411 2.262 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)CO)c2)cc1F ZINC000097203050 543006779 /nfs/dbraw/zinc/00/67/79/543006779.db2.gz YDKZRVPGWYAZTL-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000101579264 543035060 /nfs/dbraw/zinc/03/50/60/543035060.db2.gz QQLUCCJAWYNRBV-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM CC(C)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nnc2ccccn21 ZINC000101933592 543051048 /nfs/dbraw/zinc/05/10/48/543051048.db2.gz WEPVAVFAHUTSAG-OAHLLOKOSA-N -1 1 362.393 2.093 20 0 FEADMM Cc1ccccc1OCCN(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104022529 543120971 /nfs/dbraw/zinc/12/09/71/543120971.db2.gz GSJOAWIHJCCTRK-UHFFFAOYSA-N -1 1 368.437 2.028 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104313431 543128418 /nfs/dbraw/zinc/12/84/18/543128418.db2.gz QQNAGVBQZACTHL-JTQLQIEISA-N -1 1 368.319 2.459 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000104838675 543146420 /nfs/dbraw/zinc/14/64/20/543146420.db2.gz AEZXMRIAGLSOEQ-INIZCTEOSA-N -1 1 364.449 2.418 20 0 FEADMM CCn1c2ccccc2nc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104833824 543146468 /nfs/dbraw/zinc/14/64/68/543146468.db2.gz QKUHKIKPHJGMPC-UHFFFAOYSA-N -1 1 364.409 2.190 20 0 FEADMM O=C([O-])C[C@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)C(F)(F)F ZINC000551910813 674171619 /nfs/dbraw/zinc/17/16/19/674171619.db2.gz XCFPYIUQAUPXNC-RXMQYKEDSA-N -1 1 365.251 2.035 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(=O)OCC2CC2)cc1 ZINC000110265883 543353335 /nfs/dbraw/zinc/35/33/35/543353335.db2.gz KLXUBMZWQRJMOW-UHFFFAOYSA-N -1 1 374.466 2.376 20 0 FEADMM NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2c(O)cccc2F)C1 ZINC000122566326 543710526 /nfs/dbraw/zinc/71/05/26/543710526.db2.gz WZVOQOWMFTTXAU-AWEZNQCLSA-N -1 1 371.412 2.481 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)c1 ZINC000123215546 543749148 /nfs/dbraw/zinc/74/91/48/543749148.db2.gz XPGSKMIUSVBQTE-UHFFFAOYSA-N -1 1 371.361 2.355 20 0 FEADMM C[C@H](CN(C)C(=O)c1c[nH]c2cccc(Br)c12)c1nn[n-]n1 ZINC000124246294 543808981 /nfs/dbraw/zinc/80/89/81/543808981.db2.gz GXYJBGZOBZNLCU-MRVPVSSYSA-N -1 1 363.219 2.319 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1cc(Cl)ccc1Br)c1nn[n-]n1 ZINC000124607584 543832583 /nfs/dbraw/zinc/83/25/83/543832583.db2.gz KMCWUCCCRIDAQU-QMMMGPOBSA-N -1 1 372.654 2.420 20 0 FEADMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000124622120 543833355 /nfs/dbraw/zinc/83/33/55/543833355.db2.gz JPMQQYAQEKEMKO-JTQLQIEISA-N -1 1 364.431 2.484 20 0 FEADMM COc1ccccc1OC[C@H](C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000125979280 543911533 /nfs/dbraw/zinc/91/15/33/543911533.db2.gz KMAZFSQMKRNZCB-CYBMUJFWSA-N -1 1 367.405 2.377 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)cc1Cl)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127127451 543974024 /nfs/dbraw/zinc/97/40/24/543974024.db2.gz MZSAKXKQJSBYCH-SSDOTTSWSA-N -1 1 372.809 2.276 20 0 FEADMM CC(C)(C)N1C[C@H](NC(=O)c2ccc(Br)c([O-])c2)CC1=O ZINC000126921640 543963732 /nfs/dbraw/zinc/96/37/32/543963732.db2.gz OPEHLPVGMACVRC-SNVBAGLBSA-N -1 1 355.232 2.284 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000127335250 543987054 /nfs/dbraw/zinc/98/70/54/543987054.db2.gz VMFMBQWQENWEFD-KBPBESRZSA-N -1 1 367.515 2.395 20 0 FEADMM O=S(=O)([N-]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1F ZINC000127431213 543992821 /nfs/dbraw/zinc/99/28/21/543992821.db2.gz BIYLTONKBZCLFA-HUUCEWRRSA-N -1 1 374.453 2.011 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3cccc4c3OCO4)CC2)c1=N ZINC000128244245 544040626 /nfs/dbraw/zinc/04/06/26/544040626.db2.gz NFGWEQHHEPGCOB-UHFFFAOYSA-N -1 1 372.425 2.038 20 0 FEADMM COc1ccc(-c2ncc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)s2)cc1 ZINC000129450392 544112950 /nfs/dbraw/zinc/11/29/50/544112950.db2.gz FRMYXXLTAQATKQ-GFCCVEGCSA-N -1 1 370.438 2.352 20 0 FEADMM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc([O-])c(Cl)c1 ZINC000129613678 544120975 /nfs/dbraw/zinc/12/09/75/544120975.db2.gz KPGDCWTVTJZSDP-UHFFFAOYSA-N -1 1 359.769 2.078 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1Cl ZINC000131378058 544188031 /nfs/dbraw/zinc/18/80/31/544188031.db2.gz AFCCQIALTXATIG-QMMMGPOBSA-N -1 1 360.760 2.394 20 0 FEADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)co1 ZINC000131471370 544191599 /nfs/dbraw/zinc/19/15/99/544191599.db2.gz FEGPKSSKFKSUSQ-UHFFFAOYSA-N -1 1 370.437 2.020 20 0 FEADMM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cncc([O-])c2)c1 ZINC000552249382 674197483 /nfs/dbraw/zinc/19/74/83/674197483.db2.gz UGHKWAPYDZPSHJ-UHFFFAOYSA-N -1 1 363.439 2.426 20 0 FEADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000132950750 544249882 /nfs/dbraw/zinc/24/98/82/544249882.db2.gz GDSGSFVNRIFIQB-UHFFFAOYSA-N -1 1 356.835 2.450 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@@H](c3ccc(F)c(F)c3)C1)c2=O ZINC000132654298 544239540 /nfs/dbraw/zinc/23/95/40/544239540.db2.gz IZNXATJWQFHMNR-OAHLLOKOSA-N -1 1 374.347 2.166 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCN(Cc2ccon2)CC1 ZINC000133536814 544274197 /nfs/dbraw/zinc/27/41/97/544274197.db2.gz XUWIVHXHNKLHGQ-UHFFFAOYSA-N -1 1 366.215 2.101 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)ccc1C ZINC000134448405 544308265 /nfs/dbraw/zinc/30/82/65/544308265.db2.gz JOLZVLFIGWXFSL-UHFFFAOYSA-N -1 1 371.422 2.335 20 0 FEADMM O=C(CCc1nc(C2CCCC2)no1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000134848032 544323800 /nfs/dbraw/zinc/32/38/00/544323800.db2.gz BJQLUPJTJPQVSU-UHFFFAOYSA-N -1 1 353.386 2.479 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)ccc1F ZINC000135297181 544341061 /nfs/dbraw/zinc/34/10/61/544341061.db2.gz UFZMRLJTOUZTDM-UHFFFAOYSA-N -1 1 365.342 2.019 20 0 FEADMM COCc1ccc([C@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)o1 ZINC000137446915 544389844 /nfs/dbraw/zinc/38/98/44/544389844.db2.gz FDYZGBZWMPQMLT-CQSZACIVSA-N -1 1 356.382 2.391 20 0 FEADMM COC(=O)c1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000137709755 544392450 /nfs/dbraw/zinc/39/24/50/544392450.db2.gz SACZLNRJGSDMFZ-UHFFFAOYSA-N -1 1 357.410 2.092 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nn[n-]n1 ZINC000136702498 544377823 /nfs/dbraw/zinc/37/78/23/544377823.db2.gz QPFVMJJSOPGXCU-INIZCTEOSA-N -1 1 370.457 2.277 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(OC(C)(C)C)cc2)o1 ZINC000146015494 544437069 /nfs/dbraw/zinc/43/70/69/544437069.db2.gz DPBHPCRNYNRKLL-UHFFFAOYSA-N -1 1 366.439 2.295 20 0 FEADMM Cc1cc(C(=O)Nc2cccc3c2CCCC3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151466783 544545313 /nfs/dbraw/zinc/54/53/13/544545313.db2.gz JYTJNMHITKVHAT-UHFFFAOYSA-N -1 1 350.378 2.463 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nn1-c1ccc(C)cc1 ZINC000152573388 544669497 /nfs/dbraw/zinc/66/94/97/544669497.db2.gz KZHPWKNQSGUGGO-AWEZNQCLSA-N -1 1 351.414 2.022 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cn(C(C)(C)C)nc2C)o1 ZINC000153029040 544724757 /nfs/dbraw/zinc/72/47/57/544724757.db2.gz NOODNUGYBDRFFR-NSHDSACASA-N -1 1 369.443 2.366 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2cn(C(C)(C)C)nc2C)c1 ZINC000152976898 544718584 /nfs/dbraw/zinc/71/85/84/544718584.db2.gz LLHKLPRHXNUQJY-NSHDSACASA-N -1 1 369.443 2.366 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000153468173 544778687 /nfs/dbraw/zinc/77/86/87/544778687.db2.gz SCLZPXZOSVBMHA-UHFFFAOYSA-N -1 1 370.330 2.020 20 0 FEADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(C)C ZINC000154828235 544954575 /nfs/dbraw/zinc/95/45/75/544954575.db2.gz SIAHHSMXOZFMQO-ZIAGYGMSSA-N -1 1 372.487 2.244 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)co1 ZINC000154914279 544965572 /nfs/dbraw/zinc/96/55/72/544965572.db2.gz PJBCYTYWTWDLHO-QMMMGPOBSA-N -1 1 360.794 2.471 20 0 FEADMM CC(C)[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1 ZINC000553557080 674270509 /nfs/dbraw/zinc/27/05/09/674270509.db2.gz SRQBYLRRBLNNNI-ZDUSSCGKSA-N -1 1 359.817 2.241 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c1 ZINC000179198375 327630830 /nfs/dbraw/zinc/63/08/30/327630830.db2.gz IVMPRDLPLIZJFV-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180568535 327691455 /nfs/dbraw/zinc/69/14/55/327691455.db2.gz HYDBZCCOLVHMSJ-RKDXNWHRSA-N -1 1 351.346 2.059 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)sc1C(=O)[O-] ZINC000185124386 327901115 /nfs/dbraw/zinc/90/11/15/327901115.db2.gz YLQQCONWGXTJQV-ZDUSSCGKSA-N -1 1 372.512 2.394 20 0 FEADMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)no1 ZINC000553874955 674291120 /nfs/dbraw/zinc/29/11/20/674291120.db2.gz LCYDVVDRQCYTEP-UHFFFAOYSA-N -1 1 364.349 2.259 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187322937 328016457 /nfs/dbraw/zinc/01/64/57/328016457.db2.gz ZCVIWTUGQLCWCJ-HNNXBMFYSA-N -1 1 370.453 2.147 20 0 FEADMM COC(=O)c1c[n-]c(SCc2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000187592394 328034695 /nfs/dbraw/zinc/03/46/95/328034695.db2.gz JCLHZGNHDBBIKT-UHFFFAOYSA-N -1 1 350.425 2.403 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000188257851 328076443 /nfs/dbraw/zinc/07/64/43/328076443.db2.gz OJZVNCFRULDWSU-ZDUSSCGKSA-N -1 1 364.348 2.423 20 0 FEADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c1 ZINC000188264148 328076633 /nfs/dbraw/zinc/07/66/33/328076633.db2.gz MVDINJGOQVPUFA-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCOC[C@@H]1C1CC1 ZINC000189842748 328171043 /nfs/dbraw/zinc/17/10/43/328171043.db2.gz NGPAOJDCMOMOHL-GFCCVEGCSA-N -1 1 373.190 2.248 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)c2ccc(Cl)cc2)no1 ZINC000190389324 328205030 /nfs/dbraw/zinc/20/50/30/328205030.db2.gz HMLLOCYOFQXMMG-FZQKWOKYSA-N -1 1 371.846 2.218 20 0 FEADMM Cc1ccc(-c2csc3[n-]c(CS(=O)(=O)N(C)C)nc(=O)c23)cc1 ZINC000190409734 328205925 /nfs/dbraw/zinc/20/59/25/328205925.db2.gz DUVNNKCIYGQFGF-UHFFFAOYSA-N -1 1 363.464 2.351 20 0 FEADMM CCO[C@@H]1C[C@@](O)(CNC(=O)c2ccc(Br)c([O-])c2)C1(C)C ZINC000191759874 328280211 /nfs/dbraw/zinc/28/02/11/328280211.db2.gz ZHXHCNUWJGYOMM-CZUORRHYSA-N -1 1 372.259 2.451 20 0 FEADMM O=S(=O)(Cc1ccn(-c2ccc(F)cc2F)n1)c1n[n-]c(C2CC2)n1 ZINC000191983281 328291760 /nfs/dbraw/zinc/29/17/60/328291760.db2.gz MIIXAUIQYJAZSU-UHFFFAOYSA-N -1 1 365.365 2.120 20 0 FEADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000192765212 328338434 /nfs/dbraw/zinc/33/84/34/328338434.db2.gz LNKKFFMFQPEPNW-SNVBAGLBSA-N -1 1 365.302 2.151 20 0 FEADMM O=C(NCc1cccnc1)c1cc(I)ccc1[O-] ZINC000192782497 328339278 /nfs/dbraw/zinc/33/92/78/328339278.db2.gz RQOCLFYWRXIFAV-UHFFFAOYSA-N -1 1 354.147 2.322 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193163217 328360518 /nfs/dbraw/zinc/36/05/18/328360518.db2.gz GMMRLZSLPOJWKM-ZDUSSCGKSA-N -1 1 368.437 2.232 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)o1 ZINC000193393201 328372584 /nfs/dbraw/zinc/37/25/84/328372584.db2.gz WLWVNUCZOLRPSP-CQSZACIVSA-N -1 1 364.423 2.394 20 0 FEADMM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1cccc(F)c1F ZINC000193711149 328391170 /nfs/dbraw/zinc/39/11/70/328391170.db2.gz RGMCXTZWWVTXJD-UHFFFAOYSA-N -1 1 351.334 2.493 20 0 FEADMM C/C(=C\C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CC1 ZINC000195246930 328464363 /nfs/dbraw/zinc/46/43/63/328464363.db2.gz XPGJKAGZIWBCIY-ZRDIBKRKSA-N -1 1 350.440 2.472 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cn1 ZINC000007323475 324354444 /nfs/dbraw/zinc/35/44/44/324354444.db2.gz XPEDTRFAWOOTBH-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM NC(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000014096938 324376489 /nfs/dbraw/zinc/37/64/89/324376489.db2.gz ANIDTCLYQDSEFE-UHFFFAOYSA-N -1 1 363.414 2.326 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1 ZINC000195450369 328477844 /nfs/dbraw/zinc/47/78/44/328477844.db2.gz HBMLGGDNHVOWNP-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM CN(CCCCCO)C(=O)c1cc(I)ccc1[O-] ZINC000228672300 328485531 /nfs/dbraw/zinc/48/55/31/328485531.db2.gz CERGXESJXMNADM-UHFFFAOYSA-N -1 1 363.195 2.231 20 0 FEADMM CCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000048407573 324663848 /nfs/dbraw/zinc/66/38/48/324663848.db2.gz CTHWTPHIAOQAHV-UHFFFAOYSA-N -1 1 358.485 2.258 20 0 FEADMM CC[C@@](C)(CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000230907088 328487259 /nfs/dbraw/zinc/48/72/59/328487259.db2.gz PWCGVCFLKPZKFA-ZDUSSCGKSA-N -1 1 363.195 2.278 20 0 FEADMM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000078245550 325036785 /nfs/dbraw/zinc/03/67/85/325036785.db2.gz XNRKRONXWURGOC-YGCGCYASSA-N -1 1 361.467 2.453 20 0 FEADMM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000078245550 325036789 /nfs/dbraw/zinc/03/67/89/325036789.db2.gz XNRKRONXWURGOC-YGCGCYASSA-N -1 1 361.467 2.453 20 0 FEADMM CC(C)OCCN1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000081865312 325202098 /nfs/dbraw/zinc/20/20/98/325202098.db2.gz KDQJNNUMNAMNIQ-UHFFFAOYSA-N -1 1 371.275 2.338 20 0 FEADMM CCC[C@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCO1 ZINC000089470960 325318387 /nfs/dbraw/zinc/31/83/87/325318387.db2.gz KPTKFUIUBGQRSX-INIZCTEOSA-N -1 1 370.453 2.100 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1c[nH]c2ncccc12 ZINC000091160899 325375940 /nfs/dbraw/zinc/37/59/40/325375940.db2.gz BPXUKIBDZPAQDX-UHFFFAOYSA-N -1 1 362.386 2.255 20 0 FEADMM CC(C)C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000093241976 325439868 /nfs/dbraw/zinc/43/98/68/325439868.db2.gz YIJQWXFIYUTYCP-NSHDSACASA-N -1 1 360.349 2.217 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)O)c1 ZINC000097178385 325458834 /nfs/dbraw/zinc/45/88/34/325458834.db2.gz RDRMAXKYFLGWJV-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM CC(C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nnc2ccccn21 ZINC000101933589 325483930 /nfs/dbraw/zinc/48/39/30/325483930.db2.gz WEPVAVFAHUTSAG-HNNXBMFYSA-N -1 1 362.393 2.093 20 0 FEADMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000105390908 325566586 /nfs/dbraw/zinc/56/65/86/325566586.db2.gz MFOCJMVIQQXGQF-UHFFFAOYSA-N -1 1 352.387 2.141 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)NCc1ccccc1 ZINC000105618967 325570709 /nfs/dbraw/zinc/57/07/09/325570709.db2.gz FJIXYMDXPGPGOI-SNVBAGLBSA-N -1 1 372.368 2.087 20 0 FEADMM O=C(NC[C@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110225934 325685359 /nfs/dbraw/zinc/68/53/59/325685359.db2.gz JGJUCJLQNBOJIK-RDTXWAMCSA-N -1 1 368.433 2.303 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)o1 ZINC000116361432 326009263 /nfs/dbraw/zinc/00/92/63/326009263.db2.gz WCIRZTDQPYOSLG-LDYMZIIASA-N -1 1 357.334 2.179 20 0 FEADMM CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119108953 326128218 /nfs/dbraw/zinc/12/82/18/326128218.db2.gz VDIOLUCSQKHKDT-NSHDSACASA-N -1 1 372.231 2.413 20 0 FEADMM O=C(NCCCOC1CCOCC1)c1ccc(Br)c([O-])c1 ZINC000119326888 326150262 /nfs/dbraw/zinc/15/02/62/326150262.db2.gz JTNZEZLIRLZTND-UHFFFAOYSA-N -1 1 358.232 2.470 20 0 FEADMM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000119446630 326163244 /nfs/dbraw/zinc/16/32/44/326163244.db2.gz RVUCQVGFCBDOJA-UHFFFAOYSA-N -1 1 369.421 2.047 20 0 FEADMM CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000120150616 326235238 /nfs/dbraw/zinc/23/52/38/326235238.db2.gz VGZSCHJDNWKVHH-AWEZNQCLSA-N -1 1 362.451 2.088 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000120814945 326290403 /nfs/dbraw/zinc/29/04/03/326290403.db2.gz IXIPFKKNMXTVIL-QWHCGFSZSA-N -1 1 372.375 2.338 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000121632620 326353587 /nfs/dbraw/zinc/35/35/87/326353587.db2.gz DXTISPSMSRNONR-CYBMUJFWSA-N -1 1 369.259 2.092 20 0 FEADMM COc1cccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000121959338 326378449 /nfs/dbraw/zinc/37/84/49/326378449.db2.gz UQJPCMAPEXFIJG-MRXNPFEDSA-N -1 1 369.465 2.341 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-c2nc[nH]n2)c1)c1cc(F)ccc1F ZINC000123097250 326419942 /nfs/dbraw/zinc/41/99/42/326419942.db2.gz DYBCVSLYGPUGGR-UHFFFAOYSA-N -1 1 350.350 2.228 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)co1 ZINC000123725865 326441249 /nfs/dbraw/zinc/44/12/49/326441249.db2.gz BLOJRNIICFUFCN-INIZCTEOSA-N -1 1 360.435 2.480 20 0 FEADMM CCN(Cc1c(F)cccc1F)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000127163551 326501276 /nfs/dbraw/zinc/50/12/76/326501276.db2.gz OSQGFTQLIVMKED-UHFFFAOYSA-N -1 1 358.366 2.128 20 0 FEADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000127376543 326505236 /nfs/dbraw/zinc/50/52/36/326505236.db2.gz RMPNADUZOHHLGE-LLVKDONJSA-N -1 1 370.359 2.210 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000128911601 326531582 /nfs/dbraw/zinc/53/15/82/326531582.db2.gz INGLHBWHWYWYFM-UHFFFAOYSA-N -1 1 362.393 2.211 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](O)Cc1ccccc1 ZINC000129226792 326536909 /nfs/dbraw/zinc/53/69/09/326536909.db2.gz JYMIODNRPVETGF-MFKMUULPSA-N -1 1 359.369 2.374 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)c1 ZINC000132567455 326594803 /nfs/dbraw/zinc/59/48/03/326594803.db2.gz HMTGLDYMULOGEI-UHFFFAOYSA-N -1 1 357.395 2.056 20 0 FEADMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000133393645 326608198 /nfs/dbraw/zinc/60/81/98/326608198.db2.gz ZQYQLSKRGSICOE-ZCFIWIBFSA-N -1 1 366.313 2.156 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1ccc(C(N)=O)n1 ZINC000134462373 326626030 /nfs/dbraw/zinc/62/60/30/326626030.db2.gz NEKPWGABVQHJNM-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)c1 ZINC000153678942 326739541 /nfs/dbraw/zinc/73/95/41/326739541.db2.gz LWDYIUPZISLUDQ-VIFPVBQESA-N -1 1 359.350 2.426 20 0 FEADMM COc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000153707546 326740500 /nfs/dbraw/zinc/74/05/00/326740500.db2.gz GYIDTHNQGPUKNE-HNNXBMFYSA-N -1 1 360.797 2.368 20 0 FEADMM CN(C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000162653127 327030770 /nfs/dbraw/zinc/03/07/70/327030770.db2.gz DMWARWXPNRCFEO-CRAIPNDOSA-N -1 1 368.433 2.397 20 0 FEADMM COc1ccc(Cl)cc1CN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000171247427 327127390 /nfs/dbraw/zinc/12/73/90/327127390.db2.gz OAMRLTJNYGSNMI-UHFFFAOYSA-N -1 1 361.829 2.407 20 0 FEADMM COC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000171425441 327138710 /nfs/dbraw/zinc/13/87/10/327138710.db2.gz WZFVXNLGCBEIFM-KRWDZBQOSA-N -1 1 368.437 2.488 20 0 FEADMM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000172807651 327220350 /nfs/dbraw/zinc/22/03/50/327220350.db2.gz YLWZKZFOOFGVJN-CYBMUJFWSA-N -1 1 361.467 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)o1 ZINC000172881760 327224537 /nfs/dbraw/zinc/22/45/37/327224537.db2.gz FODOVAZGZHPGOG-SNVBAGLBSA-N -1 1 372.830 2.038 20 0 FEADMM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000173747135 327281143 /nfs/dbraw/zinc/28/11/43/327281143.db2.gz VXTIPBOERREBFA-LLVKDONJSA-N -1 1 367.331 2.262 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174716859 327345504 /nfs/dbraw/zinc/34/55/04/327345504.db2.gz BOQVWMWQORGPJA-UHFFFAOYSA-N -1 1 352.387 2.060 20 0 FEADMM COc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1OC ZINC000174965922 327364295 /nfs/dbraw/zinc/36/42/95/327364295.db2.gz NFCOIJYDTQHSMJ-UHFFFAOYSA-N -1 1 359.426 2.323 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)Nc1ccc(Br)cc1Cl ZINC000175355469 327388937 /nfs/dbraw/zinc/38/89/37/327388937.db2.gz LENWZHLVAPYATB-UHFFFAOYSA-N -1 1 374.626 2.268 20 0 FEADMM CCN(CCC(=O)OC)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000176630083 327467207 /nfs/dbraw/zinc/46/72/07/327467207.db2.gz OQGUSLXOHMGGFE-UHFFFAOYSA-N -1 1 368.484 2.471 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c1 ZINC000263851345 328968258 /nfs/dbraw/zinc/96/82/58/328968258.db2.gz NRBJDDUCULRIOL-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM CC(C)[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000263942851 328977436 /nfs/dbraw/zinc/97/74/36/328977436.db2.gz SYXPMVKLCALDNM-ZDUSSCGKSA-N -1 1 370.471 2.034 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000264120045 328992934 /nfs/dbraw/zinc/99/29/34/328992934.db2.gz QVQHACQCFDAXTB-UHFFFAOYSA-N -1 1 365.437 2.421 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(N4CCNC4=O)c3)ccc2O1 ZINC000264338080 329011737 /nfs/dbraw/zinc/01/17/37/329011737.db2.gz XIJJEGHNABURMZ-LBPRGKRZSA-N -1 1 373.434 2.340 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)o1 ZINC000264579300 329037658 /nfs/dbraw/zinc/03/76/58/329037658.db2.gz JFRQPYUPRVMJQQ-GFCCVEGCSA-N -1 1 371.411 2.351 20 0 FEADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([O-])c(Cl)c1)C2=O ZINC000264931325 329075800 /nfs/dbraw/zinc/07/58/00/329075800.db2.gz NTBMFRNOQBHRKE-DYZYQPBXSA-N -1 1 365.817 2.485 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000265513743 329134965 /nfs/dbraw/zinc/13/49/65/329134965.db2.gz AZJXVOPVCRHJIL-JOCHJYFZSA-N -1 1 353.465 2.414 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1C ZINC000266053369 329185798 /nfs/dbraw/zinc/18/57/98/329185798.db2.gz GYORNADVZBIKFG-UHFFFAOYSA-N -1 1 356.835 2.073 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000266814328 329262271 /nfs/dbraw/zinc/26/22/71/329262271.db2.gz XACLMRDZEZFZLU-CYBMUJFWSA-N -1 1 367.379 2.255 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCSC1 ZINC000267310648 329313385 /nfs/dbraw/zinc/31/33/85/329313385.db2.gz ZSBSYMUFUAXQCQ-AWEZNQCLSA-N -1 1 358.467 2.497 20 0 FEADMM COc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1[N-]S(C)(=O)=O ZINC000268292918 329405392 /nfs/dbraw/zinc/40/53/92/329405392.db2.gz RJCDHHUJBAQFSS-UHFFFAOYSA-N -1 1 353.444 2.475 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000268305983 329406583 /nfs/dbraw/zinc/40/65/83/329406583.db2.gz ZQADFWHVHJVFFD-INIZCTEOSA-N -1 1 370.453 2.369 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCSCC(C)C ZINC000270246902 329585202 /nfs/dbraw/zinc/58/52/02/329585202.db2.gz SPAFYXRIIURNEZ-UHFFFAOYSA-N -1 1 350.488 2.490 20 0 FEADMM Cn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000270596626 329613669 /nfs/dbraw/zinc/61/36/69/329613669.db2.gz DSRWMIAFNDIHEM-UHFFFAOYSA-N -1 1 355.391 2.315 20 0 FEADMM C[C@H](O)C(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000271268435 329678883 /nfs/dbraw/zinc/67/88/83/329678883.db2.gz IANZJHDFOWAVAP-ZDUSSCGKSA-N -1 1 362.451 2.377 20 0 FEADMM CCN(CC)C(=O)CCCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271504277 329698712 /nfs/dbraw/zinc/69/87/12/329698712.db2.gz LOGHKCSAQGDUFP-UHFFFAOYSA-N -1 1 373.450 2.174 20 0 FEADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc([O-])cc1F ZINC000272220430 329761004 /nfs/dbraw/zinc/76/10/04/329761004.db2.gz KDMCHROSPAGVBG-UHFFFAOYSA-N -1 1 374.368 2.403 20 0 FEADMM CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272247574 329763443 /nfs/dbraw/zinc/76/34/43/329763443.db2.gz SDMKJLAMHIOMSI-UHFFFAOYSA-N -1 1 370.258 2.191 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000272520309 329787900 /nfs/dbraw/zinc/78/79/00/329787900.db2.gz RQCHVDBLZUYIHQ-WBVHZDCISA-N -1 1 370.453 2.105 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)cn1 ZINC000273191239 329844405 /nfs/dbraw/zinc/84/44/05/329844405.db2.gz NAIZPPPRUBKZBD-UHFFFAOYSA-N -1 1 365.411 2.248 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3cc(C)ccc3OC)no2)co1 ZINC000273782987 329891313 /nfs/dbraw/zinc/89/13/13/329891313.db2.gz UCPXPHCZIFVOAH-UHFFFAOYSA-N -1 1 363.395 2.146 20 0 FEADMM CCC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000274403899 329945659 /nfs/dbraw/zinc/94/56/59/329945659.db2.gz YIZYWMHLDNCWMZ-UHFFFAOYSA-N -1 1 358.616 2.499 20 0 FEADMM CC(C)Cc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275045530 330004812 /nfs/dbraw/zinc/00/48/12/330004812.db2.gz WIFYANKVTBDRIK-KRWDZBQOSA-N -1 1 368.499 2.103 20 0 FEADMM COc1ccc(NC(=O)c2cnn(C(C)C)c2)cc1[N-]S(C)(=O)=O ZINC000276030107 330112967 /nfs/dbraw/zinc/11/29/67/330112967.db2.gz DCGJGNPGTMNLHV-UHFFFAOYSA-N -1 1 352.416 2.096 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000294187004 330191344 /nfs/dbraw/zinc/19/13/44/330191344.db2.gz NMQJDOZAPZNOEC-XCLFUZPHSA-N -1 1 370.453 2.153 20 0 FEADMM O=C(c1cncc([O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000367158382 330224064 /nfs/dbraw/zinc/22/40/64/330224064.db2.gz HSXNRPHWROSOGZ-AUUYWEPGSA-N -1 1 354.410 2.317 20 0 FEADMM CC[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@@]2(CCOC2)O1 ZINC000373644817 330247982 /nfs/dbraw/zinc/24/79/82/330247982.db2.gz APOSQOMRFDADDS-ORAYPTAESA-N -1 1 357.410 2.054 20 0 FEADMM CC[C@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@@]2(CCOC2)O1 ZINC000373644817 330247984 /nfs/dbraw/zinc/24/79/84/330247984.db2.gz APOSQOMRFDADDS-ORAYPTAESA-N -1 1 357.410 2.054 20 0 FEADMM O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000804709825 674298135 /nfs/dbraw/zinc/29/81/35/674298135.db2.gz SPEWEYFUQPRHOD-LLVKDONJSA-N -1 1 352.740 2.039 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(F)c1 ZINC000554370383 674314436 /nfs/dbraw/zinc/31/44/36/674314436.db2.gz ODGHCAYFRZEPCY-UHFFFAOYSA-N -1 1 372.368 2.202 20 0 FEADMM COc1ccncc1COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000805399338 674335022 /nfs/dbraw/zinc/33/50/22/674335022.db2.gz WMOWIZDAHWVKAC-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN(C(=O)C2CC2)CC1 ZINC000554835552 674338160 /nfs/dbraw/zinc/33/81/60/674338160.db2.gz URFQJPHAWJSGFJ-UHFFFAOYSA-N -1 1 359.813 2.288 20 0 FEADMM CN(C)C(=O)N1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000554860412 674338850 /nfs/dbraw/zinc/33/88/50/674338850.db2.gz OJEPCNDJHXYBCT-UHFFFAOYSA-N -1 1 362.817 2.033 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(O)C3)c2)c1 ZINC000555105781 674347944 /nfs/dbraw/zinc/34/79/44/674347944.db2.gz YUJAYLIFSLVIOC-UHFFFAOYSA-N -1 1 360.435 2.003 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000243608996 518060883 /nfs/dbraw/zinc/06/08/83/518060883.db2.gz OXEJHUSIKAKJMN-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)c1 ZINC000555428267 674361459 /nfs/dbraw/zinc/36/14/59/674361459.db2.gz OHIDPFVMISAHOL-UHFFFAOYSA-N -1 1 365.436 2.018 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@]1(CO)CCCO1)c1cc2ccccc2o1 ZINC000555457067 674362690 /nfs/dbraw/zinc/36/26/90/674362690.db2.gz NUKZHOFVKRVIJL-IAGOWNOFSA-N -1 1 351.424 2.031 20 0 FEADMM O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155642808 545553711 /nfs/dbraw/zinc/55/37/11/545553711.db2.gz TWBMTHGHOMFPHR-CQSZACIVSA-N -1 1 365.397 2.147 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(CC)noc2CC)o1 ZINC000156045803 545595452 /nfs/dbraw/zinc/59/54/52/545595452.db2.gz DSLBXKIEDZHBFO-UHFFFAOYSA-N -1 1 356.400 2.048 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc(Cl)ccc1Br)c1nn[n-]n1 ZINC000156554443 545635727 /nfs/dbraw/zinc/63/57/27/545635727.db2.gz YTBVJDHXJHIKEB-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM O=c1cc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000157093023 545699416 /nfs/dbraw/zinc/69/94/16/545699416.db2.gz HYDGNCHKPSPPPY-PBHICJAKSA-N -1 1 371.389 2.416 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@H](c3cccs3)C2)cc1 ZINC000157458492 545743629 /nfs/dbraw/zinc/74/36/29/545743629.db2.gz GXGWVHLDIUEARN-HNNXBMFYSA-N -1 1 360.435 2.087 20 0 FEADMM COc1ccc(N(CCC(C)C)C(=O)c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000477899448 561155850 /nfs/dbraw/zinc/15/58/50/561155850.db2.gz DHHXLMMBAWDDPT-UHFFFAOYSA-N -1 1 355.398 2.119 20 0 FEADMM CCCc1nc2ccccc2n1CCC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000478603398 561170797 /nfs/dbraw/zinc/17/07/97/561170797.db2.gz QYYDPCWWMRBYCR-ZDUSSCGKSA-N -1 1 355.446 2.154 20 0 FEADMM O=C(NCc1cnc[nH]1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000478835430 561175830 /nfs/dbraw/zinc/17/58/30/561175830.db2.gz WCCJVVNKZMBCGY-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM O=C(NCc1c[nH]cn1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000478835430 561175831 /nfs/dbraw/zinc/17/58/31/561175831.db2.gz WCCJVVNKZMBCGY-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C)nn1-c1ccncc1 ZINC000479146197 561182767 /nfs/dbraw/zinc/18/27/67/561182767.db2.gz VOHCQFJZIDIHQV-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(CC)c(C)s2)o1 ZINC000479208663 561184683 /nfs/dbraw/zinc/18/46/83/561184683.db2.gz KUCZAVXLTJIWON-UHFFFAOYSA-N -1 1 372.468 2.305 20 0 FEADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479265512 561186149 /nfs/dbraw/zinc/18/61/49/561186149.db2.gz IYJQBVJHBHAWCV-UHFFFAOYSA-N -1 1 362.407 2.193 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)(C)C)C2)o1 ZINC000479392753 561188945 /nfs/dbraw/zinc/18/89/45/561188945.db2.gz PNVWZHVMUUPRQJ-AAEUAGOBSA-N -1 1 359.444 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)o1 ZINC000480394452 561208350 /nfs/dbraw/zinc/20/83/50/561208350.db2.gz HYXQCNHMICTPBB-UHFFFAOYSA-N -1 1 360.338 2.084 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1nn[n-]n1 ZINC000176764841 546485172 /nfs/dbraw/zinc/48/51/72/546485172.db2.gz JQJJCPAFTVOZIN-ZDUSSCGKSA-N -1 1 354.370 2.316 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1[C@@H]2CCC[C@H]12 ZINC000177620776 546655100 /nfs/dbraw/zinc/65/51/00/546655100.db2.gz AJIKKRGAYOTTQQ-OCZCAGDBSA-N -1 1 350.440 2.161 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)co1 ZINC000179273017 546923010 /nfs/dbraw/zinc/92/30/10/546923010.db2.gz ZPNOWECTOLWWTF-GFCCVEGCSA-N -1 1 366.439 2.466 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2Cl)ccc1OC ZINC000481939755 561245781 /nfs/dbraw/zinc/24/57/81/561245781.db2.gz CJBLHXTWKUIDPO-UHFFFAOYSA-N -1 1 356.787 2.331 20 0 FEADMM CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481975848 561246622 /nfs/dbraw/zinc/24/66/22/561246622.db2.gz HVGLAHNVLGCRRJ-UHFFFAOYSA-N -1 1 362.407 2.381 20 0 FEADMM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)OCCO1 ZINC000179521269 546970633 /nfs/dbraw/zinc/97/06/33/546970633.db2.gz NDEJEEVLUAIFEX-UHFFFAOYSA-N -1 1 359.753 2.400 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000179540916 546974591 /nfs/dbraw/zinc/97/45/91/546974591.db2.gz XOCWGICTNSXWCQ-UHFFFAOYSA-N -1 1 350.327 2.177 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000179540780 546974598 /nfs/dbraw/zinc/97/45/98/546974598.db2.gz CYBGTYOTDQEBFY-VXGBXAGGSA-N -1 1 366.826 2.435 20 0 FEADMM CCc1ccc([C@H]2COCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)o1 ZINC000179715960 547003481 /nfs/dbraw/zinc/00/34/81/547003481.db2.gz QIUZLTXUHULCGM-CQSZACIVSA-N -1 1 356.382 2.043 20 0 FEADMM CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2CC)cs1 ZINC000180701439 547161821 /nfs/dbraw/zinc/16/18/21/547161821.db2.gz WEVOOVGJALJESL-UHFFFAOYSA-N -1 1 358.441 2.126 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(-c4ccc[nH]4)cc3)ccc21 ZINC000484103575 561291598 /nfs/dbraw/zinc/29/15/98/561291598.db2.gz ITGQASHPOBLVOL-UHFFFAOYSA-N -1 1 367.386 2.366 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(Cc2ccccc2F)n1)c1nn[n-]n1 ZINC000183422144 547655588 /nfs/dbraw/zinc/65/55/88/547655588.db2.gz XXHFNPYQJWUBEO-SNVBAGLBSA-N -1 1 360.418 2.262 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nn[n-]n1 ZINC000183434281 547658669 /nfs/dbraw/zinc/65/86/69/547658669.db2.gz AVPSXIGMHFDKJC-LBPRGKRZSA-N -1 1 367.384 2.446 20 0 FEADMM CC(=O)Nc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC000183446367 547661513 /nfs/dbraw/zinc/66/15/13/547661513.db2.gz NLJDECYXOAFMHT-QMMMGPOBSA-N -1 1 370.335 2.053 20 0 FEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2COC)c1 ZINC000484543852 561299564 /nfs/dbraw/zinc/29/95/64/561299564.db2.gz OLBDDUHDKGVPJS-UHFFFAOYSA-N -1 1 373.438 2.307 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCO1 ZINC000183622326 547691526 /nfs/dbraw/zinc/69/15/26/547691526.db2.gz GCYZAPNNTGFDOC-UHFFFAOYSA-N -1 1 350.371 2.404 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000484597238 561300826 /nfs/dbraw/zinc/30/08/26/561300826.db2.gz JXZFIOAHPKZWIY-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000183915753 547738511 /nfs/dbraw/zinc/73/85/11/547738511.db2.gz FHXGMDXPDCILLT-QMMMGPOBSA-N -1 1 354.407 2.279 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCc1ccc(O)cc1 ZINC000184108206 547771741 /nfs/dbraw/zinc/77/17/41/547771741.db2.gz AUKJYWGSKGSQSU-UHFFFAOYSA-N -1 1 352.387 2.474 20 0 FEADMM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(CN2CCOCC2)CC1 ZINC000184270558 547798502 /nfs/dbraw/zinc/79/85/02/547798502.db2.gz MQRPSDKTWRUVLB-UHFFFAOYSA-N -1 1 356.825 2.369 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184894031 547894780 /nfs/dbraw/zinc/89/47/80/547894780.db2.gz FQPDLJIFANCMTK-UHFFFAOYSA-N -1 1 372.446 2.469 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)sc1C(=O)[O-] ZINC000184958649 547907402 /nfs/dbraw/zinc/90/74/02/547907402.db2.gz FZFZWAVDPXEDOD-NTZNESFSSA-N -1 1 374.528 2.399 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc(C(=O)[O-])c1Cl ZINC000185106425 547935251 /nfs/dbraw/zinc/93/52/51/547935251.db2.gz FFMTYBWIBRNFLT-MNOVXSKESA-N -1 1 372.874 2.250 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)o1 ZINC000185204745 547950782 /nfs/dbraw/zinc/95/07/82/547950782.db2.gz IFRYFODYFUOLNW-AWEZNQCLSA-N -1 1 362.451 2.434 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000185581209 548005127 /nfs/dbraw/zinc/00/51/27/548005127.db2.gz YHPUIAIGWFHOSD-INIZCTEOSA-N -1 1 363.417 2.397 20 0 FEADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000185656949 548016545 /nfs/dbraw/zinc/01/65/45/548016545.db2.gz ZHJSFRSZMLZOSI-QFIPXVFZSA-N -1 1 351.449 2.301 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(Cn4cncn4)cc3)cnc2n1 ZINC000192853993 548375205 /nfs/dbraw/zinc/37/52/05/548375205.db2.gz OBFPDRKQWFJLAT-UHFFFAOYSA-N -1 1 374.404 2.214 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3ccc(Cn4cncn4)cc3)c[n-]c2n1 ZINC000192853993 548375210 /nfs/dbraw/zinc/37/52/10/548375210.db2.gz OBFPDRKQWFJLAT-UHFFFAOYSA-N -1 1 374.404 2.214 20 0 FEADMM O=c1nc(NCc2ccnc(Oc3ccccc3F)c2)nc2[nH][n-]cc1-2 ZINC000486493848 561348998 /nfs/dbraw/zinc/34/89/98/561348998.db2.gz MACFQHLASAZGTP-UHFFFAOYSA-N -1 1 352.329 2.371 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c2cccnc12 ZINC000486611252 561352374 /nfs/dbraw/zinc/35/23/74/561352374.db2.gz KATQTNCIDFOIOT-UHFFFAOYSA-N -1 1 357.391 2.143 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000194578904 548500118 /nfs/dbraw/zinc/50/01/18/548500118.db2.gz FJFCBQUHULNIKU-GFCCVEGCSA-N -1 1 360.801 2.327 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)n[nH]1 ZINC000194609930 548505102 /nfs/dbraw/zinc/50/51/02/548505102.db2.gz LPRYNBJEOXMABR-UHFFFAOYSA-N -1 1 351.428 2.481 20 0 FEADMM Cc1ccccc1C[C@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000486806419 561357053 /nfs/dbraw/zinc/35/70/53/561357053.db2.gz ZLLSAOZCKOZWMO-MRXNPFEDSA-N -1 1 353.422 2.059 20 0 FEADMM O=S(=O)(Cc1nccn1C(F)F)c1nc(Cc2cccs2)n[n-]1 ZINC000195159781 548587002 /nfs/dbraw/zinc/58/70/02/548587002.db2.gz FCSMRUARSVDADG-UHFFFAOYSA-N -1 1 359.383 2.023 20 0 FEADMM O=S(=O)(Cc1nccn1C(F)F)c1n[n-]c(Cc2cccs2)n1 ZINC000195159781 548587010 /nfs/dbraw/zinc/58/70/10/548587010.db2.gz FCSMRUARSVDADG-UHFFFAOYSA-N -1 1 359.383 2.023 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195165911 548588169 /nfs/dbraw/zinc/58/81/69/548588169.db2.gz OCRGMPZXZNAUHP-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195165911 548588174 /nfs/dbraw/zinc/58/81/74/548588174.db2.gz OCRGMPZXZNAUHP-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195165911 548588176 /nfs/dbraw/zinc/58/81/76/548588176.db2.gz OCRGMPZXZNAUHP-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195174575 548589863 /nfs/dbraw/zinc/58/98/63/548589863.db2.gz DBTXHSATEWDQCV-LLVKDONJSA-N -1 1 350.444 2.212 20 0 FEADMM Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195174575 548589866 /nfs/dbraw/zinc/58/98/66/548589866.db2.gz DBTXHSATEWDQCV-LLVKDONJSA-N -1 1 350.444 2.212 20 0 FEADMM Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195174575 548589871 /nfs/dbraw/zinc/58/98/71/548589871.db2.gz DBTXHSATEWDQCV-LLVKDONJSA-N -1 1 350.444 2.212 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000195443156 548641220 /nfs/dbraw/zinc/64/12/20/548641220.db2.gz OVHAIUPAVLGCIW-NOZJJQNGSA-N -1 1 359.835 2.075 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1COc2ccccc2C1 ZINC000195476934 548647331 /nfs/dbraw/zinc/64/73/31/548647331.db2.gz GUKGTYINJDDDLV-HNNXBMFYSA-N -1 1 366.421 2.104 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1NC(N)=O ZINC000487330063 561367800 /nfs/dbraw/zinc/36/78/00/561367800.db2.gz BRHNTJDUIAWBAD-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM Cc1cc(C)c(NC(=O)c2cc(=O)n3[n-]cnc3n2)cc1Br ZINC000487391540 561368991 /nfs/dbraw/zinc/36/89/91/561368991.db2.gz JOOZWWRCGQNNAG-UHFFFAOYSA-N -1 1 362.187 2.049 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1C ZINC000237565192 548835909 /nfs/dbraw/zinc/83/59/09/548835909.db2.gz VCRGARNYDTYLFK-OCCSQVGLSA-N -1 1 368.499 2.400 20 0 FEADMM O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1ccc(F)cc1[O-] ZINC000488512312 561391073 /nfs/dbraw/zinc/39/10/73/561391073.db2.gz ZCUDJFOINUEWPI-UHFFFAOYSA-N -1 1 372.805 2.492 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCC3(C)C)co1 ZINC000529646411 562379997 /nfs/dbraw/zinc/37/99/97/562379997.db2.gz LGCBYFLATWTQLP-UHFFFAOYSA-N -1 1 350.396 2.110 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCC[C@@H]1Cc1ccccc1 ZINC000490011726 561424468 /nfs/dbraw/zinc/42/44/68/561424468.db2.gz WITYWQDYZWVNQC-MRXNPFEDSA-N -1 1 353.422 2.141 20 0 FEADMM CCC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1)C(=O)[O-] ZINC000262316887 549810055 /nfs/dbraw/zinc/81/00/55/549810055.db2.gz URDHOKSEPMJJLW-XJKSGUPXSA-N -1 1 363.458 2.339 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000490331047 561431071 /nfs/dbraw/zinc/43/10/71/561431071.db2.gz PVTZLVYPAVDFGQ-MNOVXSKESA-N -1 1 359.348 2.002 20 0 FEADMM O=C([O-])CC[C@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000263180577 549883902 /nfs/dbraw/zinc/88/39/02/549883902.db2.gz UEQNAEQMGYVXFD-CQSZACIVSA-N -1 1 368.861 2.412 20 0 FEADMM COc1cc(CN2CC[C@H](Nc3cccc(C(=O)[O-])n3)C2)cc(OC)c1 ZINC000263376349 549898536 /nfs/dbraw/zinc/89/85/36/549898536.db2.gz BKVYSXOMLCSEPH-AWEZNQCLSA-N -1 1 357.410 2.483 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)n[nH]2)c1 ZINC000263379596 549898596 /nfs/dbraw/zinc/89/85/96/549898596.db2.gz BIOFRQPZCKDFIX-ORAYPTAESA-N -1 1 355.394 2.412 20 0 FEADMM CCOC(=O)c1nn(-c2ccccc2)cc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000263513339 549906435 /nfs/dbraw/zinc/90/64/35/549906435.db2.gz NZWCIWDHHIZUDU-IBGZPJMESA-N -1 1 357.410 2.346 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2csc(C3CCCCC3)n2)[n-]1 ZINC000268503901 550078449 /nfs/dbraw/zinc/07/84/49/550078449.db2.gz TXTWYQZCLRSNQH-UHFFFAOYSA-N -1 1 356.473 2.429 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2csc(C3CCCCC3)n2)n[n-]1 ZINC000268503901 550078450 /nfs/dbraw/zinc/07/84/50/550078450.db2.gz TXTWYQZCLRSNQH-UHFFFAOYSA-N -1 1 356.473 2.429 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000268551971 550086019 /nfs/dbraw/zinc/08/60/19/550086019.db2.gz INAALSNGWZPRJG-DJIMGWMZSA-N -1 1 368.437 2.169 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[n-]1 ZINC000492236282 561450398 /nfs/dbraw/zinc/45/03/98/561450398.db2.gz DWPPINPABSQWPO-UHFFFAOYSA-N -1 1 358.379 2.253 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC000492236282 561450399 /nfs/dbraw/zinc/45/03/99/561450399.db2.gz DWPPINPABSQWPO-UHFFFAOYSA-N -1 1 358.379 2.253 20 0 FEADMM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)s1 ZINC000269711463 550219246 /nfs/dbraw/zinc/21/92/46/550219246.db2.gz NNXZUFNIKDBUKR-LURJTMIESA-N -1 1 368.196 2.021 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1O ZINC000270611519 550289079 /nfs/dbraw/zinc/28/90/79/550289079.db2.gz MHZASNDLMOKKCD-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM CC(C)(C)O[C@@H](C(=O)Nc1nc(SCCO)n[nH]1)c1ccccc1 ZINC000270693730 550297477 /nfs/dbraw/zinc/29/74/77/550297477.db2.gz ACJUVFHDQSBUKA-GFCCVEGCSA-N -1 1 350.444 2.384 20 0 FEADMM Cc1nnc2n1C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000271818204 550403894 /nfs/dbraw/zinc/40/38/94/550403894.db2.gz CFPYOQTYOZZGCT-JTQLQIEISA-N -1 1 354.332 2.303 20 0 FEADMM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[nH]1 ZINC000271890203 550409011 /nfs/dbraw/zinc/40/90/11/550409011.db2.gz XCNHMQNUADZIBQ-BYPYZUCNSA-N -1 1 370.303 2.102 20 0 FEADMM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272144612 550425285 /nfs/dbraw/zinc/42/52/85/550425285.db2.gz KSIQQVNUSAGYKU-MRVPVSSYSA-N -1 1 355.243 2.399 20 0 FEADMM COCC[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccco1 ZINC000272379273 550442627 /nfs/dbraw/zinc/44/26/27/550442627.db2.gz GHHABRKUMNALIK-NSHDSACASA-N -1 1 359.425 2.184 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C(=O)OC)C1 ZINC000272645021 550462504 /nfs/dbraw/zinc/46/25/04/550462504.db2.gz GFNOFTXKMGIXAQ-GDBMZVCRSA-N -1 1 371.389 2.112 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1nn[n-]n1 ZINC000273477901 550500217 /nfs/dbraw/zinc/50/02/17/550500217.db2.gz IECCPRSDEUENCO-LLVKDONJSA-N -1 1 360.418 2.422 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1Cl ZINC000273808207 550512178 /nfs/dbraw/zinc/51/21/78/550512178.db2.gz UEHWUCDGXKNLKG-ZWNOBZJWSA-N -1 1 372.874 2.108 20 0 FEADMM CCOc1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1[O-] ZINC000273974317 550517607 /nfs/dbraw/zinc/51/76/07/550517607.db2.gz SHMYWAQOMGFKMJ-GFCCVEGCSA-N -1 1 373.858 2.236 20 0 FEADMM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000494600138 561472351 /nfs/dbraw/zinc/47/23/51/561472351.db2.gz IVKHWWYYWVIBDY-UHFFFAOYSA-N -1 1 363.374 2.001 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1c(OC)cccc1OC)c1ccc(C)o1 ZINC000274846949 550559139 /nfs/dbraw/zinc/55/91/39/550559139.db2.gz GMVKSZADBJPWGV-GFCCVEGCSA-N -1 1 355.412 2.271 20 0 FEADMM COc1ccc(NC(=O)N2CCSC[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000277008901 550621345 /nfs/dbraw/zinc/62/13/45/550621345.db2.gz VHXBJLRMHQFBPJ-NSHDSACASA-N -1 1 373.500 2.284 20 0 FEADMM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)[nH]1 ZINC000277054534 550626813 /nfs/dbraw/zinc/62/68/13/550626813.db2.gz LTDWIVPWJGHQET-IONNQARKSA-N -1 1 350.448 2.335 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCSC[C@H](C)C1 ZINC000277130056 550635449 /nfs/dbraw/zinc/63/54/49/550635449.db2.gz UIWFFSMAQJAKBT-GFCCVEGCSA-N -1 1 358.467 2.307 20 0 FEADMM O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)Nc1ccc([O-])c(Cl)c1 ZINC000277542291 550682549 /nfs/dbraw/zinc/68/25/49/550682549.db2.gz ZJAAQYVYELDJQY-SNVBAGLBSA-N -1 1 370.818 2.246 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3ccccc3C)CC2)n1 ZINC000277589429 550688544 /nfs/dbraw/zinc/68/85/44/550688544.db2.gz DEILCXUIEYWKCV-UHFFFAOYSA-N -1 1 356.426 2.239 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CSc3ccccc3)CC2)n1 ZINC000277800775 550715623 /nfs/dbraw/zinc/71/56/23/550715623.db2.gz UBSCESUOWHJYAA-UHFFFAOYSA-N -1 1 374.466 2.480 20 0 FEADMM CS(=O)(=O)N1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000278159844 550755527 /nfs/dbraw/zinc/75/55/27/550755527.db2.gz MUOCJGQOPSQHDT-UHFFFAOYSA-N -1 1 357.819 2.235 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cn1C ZINC000278587481 550801937 /nfs/dbraw/zinc/80/19/37/550801937.db2.gz DWCXXEBITIPGAX-UHFFFAOYSA-N -1 1 351.428 2.069 20 0 FEADMM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000278599621 550802878 /nfs/dbraw/zinc/80/28/78/550802878.db2.gz VGTOTKNOGTYMIQ-QGZVFWFLSA-N -1 1 367.471 2.264 20 0 FEADMM Cc1cnc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c([O-])c1 ZINC000495139121 561482990 /nfs/dbraw/zinc/48/29/90/561482990.db2.gz OMIHCCJXVNFXJI-INIZCTEOSA-N -1 1 355.394 2.143 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)c1nn[n-]n1 ZINC000280519694 551003287 /nfs/dbraw/zinc/00/32/87/551003287.db2.gz AYOJAVAFQRGQLL-JTQLQIEISA-N -1 1 361.406 2.213 20 0 FEADMM COc1ccc(F)cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281571727 551114861 /nfs/dbraw/zinc/11/48/61/551114861.db2.gz AWCRRZDHDJDODP-UHFFFAOYSA-N -1 1 362.323 2.365 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000281797576 551144798 /nfs/dbraw/zinc/14/47/98/551144798.db2.gz FICRLALOZSHNLQ-UHFFFAOYSA-N -1 1 369.464 2.431 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000282213708 551196130 /nfs/dbraw/zinc/19/61/30/551196130.db2.gz RXMDYDWIQCEXEH-CYBMUJFWSA-N -1 1 372.450 2.444 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000282645839 551255431 /nfs/dbraw/zinc/25/54/31/551255431.db2.gz UKBOGBCUKDOJKQ-UHFFFAOYSA-N -1 1 355.398 2.220 20 0 FEADMM COc1ccc(NC(=O)c2ccnc(SC)c2)cc1[N-]S(C)(=O)=O ZINC000497599487 561504508 /nfs/dbraw/zinc/50/45/08/561504508.db2.gz DVNJEULIEPEYDM-UHFFFAOYSA-N -1 1 367.452 2.436 20 0 FEADMM O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282830660 551275194 /nfs/dbraw/zinc/27/51/94/551275194.db2.gz DKBMCXKOVBNBJV-CQSZACIVSA-N -1 1 356.426 2.439 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282838663 551276268 /nfs/dbraw/zinc/27/62/68/551276268.db2.gz FBYCXHCWCRONAG-AWEZNQCLSA-N -1 1 372.425 2.073 20 0 FEADMM Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282927313 551286073 /nfs/dbraw/zinc/28/60/73/551286073.db2.gz OKWULSAHMIRWHY-LLVKDONJSA-N -1 1 373.438 2.072 20 0 FEADMM O=C(NC1CC1)N[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000283480748 551373719 /nfs/dbraw/zinc/37/37/19/551373719.db2.gz CCDYIZONENTMAX-LBPRGKRZSA-N -1 1 374.828 2.270 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)cc1F ZINC000497961899 561512510 /nfs/dbraw/zinc/51/25/10/561512510.db2.gz XPXBOWPHRCXYPJ-UHFFFAOYSA-N -1 1 352.387 2.271 20 0 FEADMM O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283771595 551424927 /nfs/dbraw/zinc/42/49/27/551424927.db2.gz SZAVUMDWRXVMAR-JTQLQIEISA-N -1 1 372.816 2.161 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)[N-]c3ccccc3-c3nnc[nH]3)cc12 ZINC000498030613 561514167 /nfs/dbraw/zinc/51/41/67/561514167.db2.gz JEVOPSQCBXXOBJ-UHFFFAOYSA-N -1 1 356.367 2.117 20 0 FEADMM O=S(=O)([N-][C@H](CO)C[C@H](O)c1ccccc1)c1cc(Cl)ccc1F ZINC000284147801 551492633 /nfs/dbraw/zinc/49/26/33/551492633.db2.gz FDBXJHLBOPBXQM-ZFWWWQNUSA-N -1 1 373.833 2.242 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cn1 ZINC000284987091 551684434 /nfs/dbraw/zinc/68/44/34/551684434.db2.gz DXZDGRHVSLDKRE-QFIPXVFZSA-N -1 1 354.453 2.078 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000285010965 551689397 /nfs/dbraw/zinc/68/93/97/551689397.db2.gz BIMJNCLKJZGHRT-UHFFFAOYSA-N -1 1 372.462 2.329 20 0 FEADMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000285066321 551699307 /nfs/dbraw/zinc/69/93/07/551699307.db2.gz KYMNIFPUEVHMJY-UHFFFAOYSA-N -1 1 368.390 2.189 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cn1 ZINC000285082108 551702174 /nfs/dbraw/zinc/70/21/74/551702174.db2.gz MMODOFVATUGZPC-UHFFFAOYSA-N -1 1 352.412 2.042 20 0 FEADMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000285102734 551704941 /nfs/dbraw/zinc/70/49/41/551704941.db2.gz LXVPOFSEQNIQLA-OAHLLOKOSA-N -1 1 366.464 2.467 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000285110132 551706234 /nfs/dbraw/zinc/70/62/34/551706234.db2.gz MPVIQASAXCQNEA-SNVBAGLBSA-N -1 1 355.441 2.095 20 0 FEADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3nc(C4CCC4)n[nH]3)ccc2N1 ZINC000285142041 551710524 /nfs/dbraw/zinc/71/05/24/551710524.db2.gz QWJNEZGFODHMLY-UHFFFAOYSA-N -1 1 361.427 2.148 20 0 FEADMM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000285485614 551763981 /nfs/dbraw/zinc/76/39/81/551763981.db2.gz DDRPKZWANJCNOF-IUCAKERBSA-N -1 1 354.291 2.462 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@]2(CCCOC2)C1 ZINC000285856577 551819651 /nfs/dbraw/zinc/81/96/51/551819651.db2.gz HVSBOGMAJJYJQN-OAHLLOKOSA-N -1 1 356.216 2.176 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000285877909 551822401 /nfs/dbraw/zinc/82/24/01/551822401.db2.gz BYVLTTQSIPXRLU-MRXNPFEDSA-N -1 1 368.441 2.461 20 0 FEADMM CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000286308288 551872280 /nfs/dbraw/zinc/87/22/80/551872280.db2.gz TTYBHDRIZDSLIX-UHFFFAOYSA-N -1 1 373.457 2.083 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@@H]2CC(F)F)c(=O)[n-]1 ZINC000286832890 551931051 /nfs/dbraw/zinc/93/10/51/551931051.db2.gz YKDGJGKFIKGBQV-JTQLQIEISA-N -1 1 361.414 2.028 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)ccnc1-2 ZINC000287045146 551955893 /nfs/dbraw/zinc/95/58/93/551955893.db2.gz DKULJVIVPNZJGX-JZOCYPIKSA-N -1 1 368.416 2.129 20 0 FEADMM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000287182690 551973803 /nfs/dbraw/zinc/97/38/03/551973803.db2.gz HKOIHXFTKJUWBS-AAEUAGOBSA-N -1 1 369.259 2.090 20 0 FEADMM CC(C)C[C@H](NC(=O)C(=O)/N=c1\ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000287277754 551984140 /nfs/dbraw/zinc/98/41/40/551984140.db2.gz BSQZTHQKYIVBCU-CSUZIONRSA-N -1 1 365.437 2.184 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)ccnc1-2 ZINC000287298569 551986596 /nfs/dbraw/zinc/98/65/96/551986596.db2.gz UZCGRRYSCBGFAK-DGTBBDEFSA-N -1 1 351.410 2.384 20 0 FEADMM COc1cc(F)c([C@H](C)NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1OC ZINC000287634873 552028266 /nfs/dbraw/zinc/02/82/66/552028266.db2.gz OIWBZRZLALXYNK-ZZXADUDLSA-N -1 1 373.388 2.381 20 0 FEADMM CCCCC1CCC(CNC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000287645477 552029777 /nfs/dbraw/zinc/02/97/77/552029777.db2.gz ZSIFNLIFBFQXSP-ULJHMMPZSA-N -1 1 371.485 2.393 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cncs2)c1 ZINC000288307625 552130113 /nfs/dbraw/zinc/13/01/13/552130113.db2.gz YYEPOATZNGOZIA-UHFFFAOYSA-N -1 1 355.441 2.132 20 0 FEADMM C[C@H]1CCN(c2ccnc3c2cnn3C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288454743 552156142 /nfs/dbraw/zinc/15/61/42/552156142.db2.gz JMFBFUFSJJDAMB-KWBADKCTSA-N -1 1 355.364 2.250 20 0 FEADMM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)Nc1c(Cl)cccc1Cl ZINC000289386398 552312517 /nfs/dbraw/zinc/31/25/17/552312517.db2.gz JQLIKQOPGSWYOE-SECBINFHSA-N -1 1 370.240 2.223 20 0 FEADMM O=c1nc([C@@H]2CCCN(Cc3nnc(-c4ccccc4Cl)o3)C2)[nH][n-]1 ZINC000289461333 552325477 /nfs/dbraw/zinc/32/54/77/552325477.db2.gz QBMBPRRQCLGDMF-SNVBAGLBSA-N -1 1 360.805 2.181 20 0 FEADMM C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCOC1=O ZINC000289607425 552348795 /nfs/dbraw/zinc/34/87/95/552348795.db2.gz QTAZHLOGTAMWCR-NSHDSACASA-N -1 1 357.737 2.343 20 0 FEADMM O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000500636877 561578399 /nfs/dbraw/zinc/57/83/99/561578399.db2.gz RXXXRZASRBEIOM-UHFFFAOYSA-N -1 1 372.331 2.429 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(C3(COC)CCCCC3)no2)o1 ZINC000290008308 552413135 /nfs/dbraw/zinc/41/31/35/552413135.db2.gz DGJHPNGCDCNIDF-UHFFFAOYSA-N -1 1 355.416 2.086 20 0 FEADMM C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290476267 552485285 /nfs/dbraw/zinc/48/52/85/552485285.db2.gz ZJWPKNXQBJRNQD-SECBINFHSA-N -1 1 351.255 2.283 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2cccc3nccnc32)C1)C(F)(F)F ZINC000291015051 552576259 /nfs/dbraw/zinc/57/62/59/552576259.db2.gz CWEKQQLNEHQQTD-NSHDSACASA-N -1 1 366.343 2.161 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)NOCc2ccccc2)C1)C(F)(F)F ZINC000291076389 552583890 /nfs/dbraw/zinc/58/38/90/552583890.db2.gz HPRQFRBVMPVIJU-CYBMUJFWSA-N -1 1 359.348 2.218 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(Br)c1)c1nn[n-]n1 ZINC000291617626 552643882 /nfs/dbraw/zinc/64/38/82/552643882.db2.gz GPDARCJJUHWZEW-NXEZZACHSA-N -1 1 352.236 2.328 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H]1OCCc2sccc21 ZINC000291908090 552673834 /nfs/dbraw/zinc/67/38/34/552673834.db2.gz JXNLLTUSLIUXJW-KCJUWKMLSA-N -1 1 361.876 2.116 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(ccc(F)c3F)s2)co1 ZINC000501363300 561595982 /nfs/dbraw/zinc/59/59/82/561595982.db2.gz KWEIKTNAIPKFKF-UHFFFAOYSA-N -1 1 373.362 2.328 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(CC(C)C)n2)c1 ZINC000292336149 552716914 /nfs/dbraw/zinc/71/69/14/552716914.db2.gz VHOUFEUURKSSDB-UHFFFAOYSA-N -1 1 369.468 2.208 20 0 FEADMM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3c(C)coc3C)C2=O)c1 ZINC000292681126 552748783 /nfs/dbraw/zinc/74/87/83/552748783.db2.gz BMSPKDLVLPRHKV-GOSISDBHSA-N -1 1 357.366 2.017 20 0 FEADMM Cc1ocnc1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000292789028 552758731 /nfs/dbraw/zinc/75/87/31/552758731.db2.gz YOTLNIOFKOEEHF-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc2nc[nH]c21 ZINC000293616155 552840660 /nfs/dbraw/zinc/84/06/60/552840660.db2.gz DCXCGUMMXTZWEX-MWLCHTKSSA-N -1 1 354.332 2.235 20 0 FEADMM COCC1(CNC(=O)c2cc(Br)ccc2[O-])CCOCC1 ZINC000293690623 552847327 /nfs/dbraw/zinc/84/73/27/552847327.db2.gz PPDHQSAUZGPCNK-UHFFFAOYSA-N -1 1 358.232 2.328 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC000294000681 552874271 /nfs/dbraw/zinc/87/42/71/552874271.db2.gz CPEATSGQRORMEA-IBGZPJMESA-N -1 1 368.437 2.422 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@]1(O)CCCC1(C)C ZINC000294043275 552877456 /nfs/dbraw/zinc/87/74/56/552877456.db2.gz FMJOONYZSIWZOF-IBGZPJMESA-N -1 1 360.458 2.042 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(C(F)(F)F)n1 ZINC000294178085 552888293 /nfs/dbraw/zinc/88/82/93/552888293.db2.gz SHDOTTDMQWECCU-UHFFFAOYSA-N -1 1 359.373 2.449 20 0 FEADMM Cc1ccc2[nH]cc(C(=O)N3CCC[C@H](CS(C)(=O)=O)C3)c(=O)c2c1 ZINC000294462643 552908107 /nfs/dbraw/zinc/90/81/07/552908107.db2.gz IBJDMLMRVMSVRV-ZDUSSCGKSA-N -1 1 362.451 2.146 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@]1(O)CCCC1(C)C ZINC000294567855 552916366 /nfs/dbraw/zinc/91/63/66/552916366.db2.gz XHGSEURUPMGTCX-HXUWFJFHSA-N -1 1 370.453 2.153 20 0 FEADMM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1sccc1Br ZINC000294727723 552929939 /nfs/dbraw/zinc/92/99/39/552929939.db2.gz WBMVPOPMFXORLV-GZMMTYOYSA-N -1 1 354.291 2.340 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H](O)CC1 ZINC000294770181 552932954 /nfs/dbraw/zinc/93/29/54/552932954.db2.gz JQDQXJNWEJNZAB-QGZVFWFLSA-N -1 1 374.462 2.474 20 0 FEADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000294973018 552948110 /nfs/dbraw/zinc/94/81/10/552948110.db2.gz OFXJURBCIRATSJ-UHFFFAOYSA-N -1 1 350.444 2.212 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000295143019 552962551 /nfs/dbraw/zinc/96/25/51/552962551.db2.gz MOCWMINJEPOTER-RZFFKMDDSA-N -1 1 360.483 2.420 20 0 FEADMM Cc1cc(-c2noc(CN3CCCC[C@H]3c3nc(=O)[n-][nH]3)n2)ccc1F ZINC000295145097 552962887 /nfs/dbraw/zinc/96/28/87/552962887.db2.gz DQCAEDGDICOJCH-ZDUSSCGKSA-N -1 1 358.377 2.323 20 0 FEADMM Cc1ccccc1CCN(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000295401509 553000571 /nfs/dbraw/zinc/00/05/71/553000571.db2.gz KWSKAMPIBDXPOB-UHFFFAOYSA-N -1 1 352.438 2.191 20 0 FEADMM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@@H](CO)c1c(F)cccc1F ZINC000295424271 553004577 /nfs/dbraw/zinc/00/45/77/553004577.db2.gz CQPUAVDYBIFEQN-CABZTGNLSA-N -1 1 355.353 2.353 20 0 FEADMM CO[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000295476398 553013429 /nfs/dbraw/zinc/01/34/29/553013429.db2.gz ZJHDCLRHGJCENT-YUELXQCFSA-N -1 1 372.387 2.302 20 0 FEADMM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000295559204 553025962 /nfs/dbraw/zinc/02/59/62/553025962.db2.gz VKFHDQISEUMRCS-LBPRGKRZSA-N -1 1 364.496 2.193 20 0 FEADMM CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000295702615 553046684 /nfs/dbraw/zinc/04/66/84/553046684.db2.gz RKYPMEUUTRBOHI-LLVKDONJSA-N -1 1 371.231 2.458 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1ccccc1 ZINC000295738646 553052728 /nfs/dbraw/zinc/05/27/28/553052728.db2.gz PQKMRKVBXIJNMA-QGZVFWFLSA-N -1 1 363.435 2.037 20 0 FEADMM Cc1nc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n[nH]1 ZINC000502689335 561623405 /nfs/dbraw/zinc/62/34/05/561623405.db2.gz JDWMNAOOZBPJJJ-UHFFFAOYSA-N -1 1 355.255 2.104 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1cccc2nonc21 ZINC000296632835 553190606 /nfs/dbraw/zinc/19/06/06/553190606.db2.gz CQRQTEKQQKQIQY-RKDXNWHRSA-N -1 1 371.319 2.286 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1cc2n(n1)CCCC2 ZINC000296855643 553221043 /nfs/dbraw/zinc/22/10/43/553221043.db2.gz BBTYJNFBRSOKQJ-ZYHUDNBSSA-N -1 1 373.379 2.283 20 0 FEADMM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C2 ZINC000503238342 561637578 /nfs/dbraw/zinc/63/75/78/561637578.db2.gz AIOXCRVMPVXIKS-NSHDSACASA-N -1 1 355.362 2.255 20 0 FEADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000299284507 553542384 /nfs/dbraw/zinc/54/23/84/553542384.db2.gz KRMHWKUYPZMFQQ-QMMMGPOBSA-N -1 1 351.255 2.186 20 0 FEADMM O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1ccccc1[O-] ZINC000299657200 553597852 /nfs/dbraw/zinc/59/78/52/553597852.db2.gz WZXFEMPVZKCNIH-UHFFFAOYSA-N -1 1 366.421 2.098 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)s1 ZINC000505100124 561666178 /nfs/dbraw/zinc/66/61/78/561666178.db2.gz BPXOHGBIRLYGTE-MRVPVSSYSA-N -1 1 370.456 2.368 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@@H]3c3nncn3C)nc2)[n-]c(=O)c1C ZINC000301906497 553691023 /nfs/dbraw/zinc/69/10/23/553691023.db2.gz AEBFQEMVBGWCOV-CQSZACIVSA-N -1 1 351.414 2.331 20 0 FEADMM COC(=O)[C@@H]1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C[C@H]1C ZINC000302790080 553733292 /nfs/dbraw/zinc/73/32/92/553733292.db2.gz YFGZQTZVTHNNHS-IAQYHMDHSA-N -1 1 356.426 2.496 20 0 FEADMM CC[C@H](O)[C@H](CC)NC(=O)c1cc(I)ccc1[O-] ZINC000313090431 553756527 /nfs/dbraw/zinc/75/65/27/553756527.db2.gz AFSSRVFWOHZVIJ-QWRGUYRKSA-N -1 1 363.195 2.276 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC000324220868 553771430 /nfs/dbraw/zinc/77/14/30/553771430.db2.gz PVQRBRCDOVBAHL-UHFFFAOYSA-N -1 1 364.301 2.265 20 0 FEADMM O=C([O-])c1ccc(CCNS(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000324622327 553773039 /nfs/dbraw/zinc/77/30/39/553773039.db2.gz ODYLNFNUAJVDJA-UHFFFAOYSA-N -1 1 359.325 2.323 20 0 FEADMM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000327953446 553792499 /nfs/dbraw/zinc/79/24/99/553792499.db2.gz SYCUVVBGBDTUPS-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(C)c(OC)c(C)c2)o1 ZINC000506076447 561689536 /nfs/dbraw/zinc/68/95/36/561689536.db2.gz JNGRCUINZQTYJH-UHFFFAOYSA-N -1 1 366.439 2.085 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000329005318 553862558 /nfs/dbraw/zinc/86/25/58/553862558.db2.gz MONAXXACUIXGNC-UHFFFAOYSA-N -1 1 366.512 2.391 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000329211401 553903179 /nfs/dbraw/zinc/90/31/79/553903179.db2.gz ZDUBPZNLRZPXDS-NHYWBVRUSA-N -1 1 365.405 2.944 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCOC2)cc1[N-]S(C)(=O)=O ZINC000506610957 561703813 /nfs/dbraw/zinc/70/38/13/561703813.db2.gz PWFOYGHUJQFNSO-NWDGAFQWSA-N -1 1 371.459 2.003 20 0 FEADMM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1cnn([C@@H]2CCOC2)c1 ZINC000329612687 553976432 /nfs/dbraw/zinc/97/64/32/553976432.db2.gz CNNMHZIMLOIGJU-YPMHNXCESA-N -1 1 367.393 2.244 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000329839264 554016438 /nfs/dbraw/zinc/01/64/38/554016438.db2.gz JBXLGGHBRZHQQZ-STQMWFEESA-N -1 1 364.471 2.255 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000507562766 561733399 /nfs/dbraw/zinc/73/33/99/561733399.db2.gz DVFQQODXOZRROA-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM CCOc1ccc2nc(NC(=O)CNC(=O)c3ncccc3[O-])sc2c1 ZINC000508376127 561760426 /nfs/dbraw/zinc/76/04/26/561760426.db2.gz OAUDGIKVGRZETL-UHFFFAOYSA-N -1 1 372.406 2.164 20 0 FEADMM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CNC(=O)c2ncccc2[O-])o1 ZINC000508394418 561761128 /nfs/dbraw/zinc/76/11/28/561761128.db2.gz LYBVMEJVQICQEL-GXTWGEPZSA-N -1 1 357.410 2.418 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)c1C ZINC000331252882 554237252 /nfs/dbraw/zinc/23/72/52/554237252.db2.gz QVOWGMPVHHMOOS-UHFFFAOYSA-N -1 1 371.484 2.102 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCOCC2)C1)c1cc(F)c(F)cc1F ZINC000331370013 554252102 /nfs/dbraw/zinc/25/21/02/554252102.db2.gz BLENQTQTDFHTLH-SNVBAGLBSA-N -1 1 365.373 2.110 20 0 FEADMM C[C@@H]1[C@@H](C)N(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)CCN1C ZINC000331586312 554289801 /nfs/dbraw/zinc/28/98/01/554289801.db2.gz OBDVKYGFMUEMHX-VXGBXAGGSA-N -1 1 363.462 2.824 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000509098890 561784826 /nfs/dbraw/zinc/78/48/26/561784826.db2.gz MIYXYFJGFPAMKY-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM Cn1cc(Nc2cccc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)c2)cn1 ZINC000509263942 561792690 /nfs/dbraw/zinc/79/26/90/561792690.db2.gz OBGVUHZVVVQBCE-UHFFFAOYSA-N -1 1 368.397 2.272 20 0 FEADMM CC(C)Cn1ncc2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cnc21 ZINC000509277014 561793299 /nfs/dbraw/zinc/79/32/99/561793299.db2.gz QHAPZOBPURHIBQ-UHFFFAOYSA-N -1 1 370.413 2.196 20 0 FEADMM Cc1cnn(-c2ccc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cc2)c1 ZINC000509277055 561793346 /nfs/dbraw/zinc/79/33/46/561793346.db2.gz QYPIASIDOFEQFZ-UHFFFAOYSA-N -1 1 353.382 2.289 20 0 FEADMM O=C(c1ccccc1OC[C@H]1CCCO1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509294616 561794066 /nfs/dbraw/zinc/79/40/66/561794066.db2.gz CODBCIDTGLNXOL-CQSZACIVSA-N -1 1 373.409 2.353 20 0 FEADMM CCC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509435789 561799759 /nfs/dbraw/zinc/79/97/59/561799759.db2.gz IVKOIGDIDQTOHC-SECBINFHSA-N -1 1 370.254 2.219 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)co1 ZINC000332048798 554369560 /nfs/dbraw/zinc/36/95/60/554369560.db2.gz YQZLUSYKZUMOQS-MNOVXSKESA-N -1 1 366.414 2.475 20 0 FEADMM Cn1cc([N-]S(=O)(=O)N2CCc3ccccc3C2)c(C(F)(F)F)n1 ZINC000332107583 554381379 /nfs/dbraw/zinc/38/13/79/554381379.db2.gz BDNCYWTUVBPDQW-UHFFFAOYSA-N -1 1 360.361 2.154 20 0 FEADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc2C1=O ZINC000509592590 561806555 /nfs/dbraw/zinc/80/65/55/561806555.db2.gz UIJKMIJSKVBFMS-UHFFFAOYSA-N -1 1 372.402 2.038 20 0 FEADMM COCCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000509709704 561811340 /nfs/dbraw/zinc/81/13/40/561811340.db2.gz BGJJXEKKASARGI-UHFFFAOYSA-N -1 1 356.426 2.123 20 0 FEADMM O=C(Cc1ccc(Br)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332408061 554440751 /nfs/dbraw/zinc/44/07/51/554440751.db2.gz PYIMKAQJOVVNEB-LLVKDONJSA-N -1 1 366.215 2.486 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccccc1OC1CCCC1 ZINC000509962682 561819924 /nfs/dbraw/zinc/81/99/24/561819924.db2.gz FASDJNSDVHZYER-UHFFFAOYSA-N -1 1 369.421 2.155 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@@H](C)OC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510557552 561838967 /nfs/dbraw/zinc/83/89/67/561838967.db2.gz FUWMIASARQFDIF-ABAIWWIYSA-N -1 1 363.863 2.073 20 0 FEADMM COC(=O)[C@]12CN(C(=O)c3cnc4nc(C)ccc4c3[O-])C[C@H]1CCCC2 ZINC000510743012 561845167 /nfs/dbraw/zinc/84/51/67/561845167.db2.gz MQDFEVGTTQFOAP-ZUOKHONESA-N -1 1 369.421 2.449 20 0 FEADMM COC(=O)[C@]12CN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C[C@H]1CCCC2 ZINC000510743012 561845168 /nfs/dbraw/zinc/84/51/68/561845168.db2.gz MQDFEVGTTQFOAP-ZUOKHONESA-N -1 1 369.421 2.449 20 0 FEADMM O=S(=O)([N-][C@H]1CC12CCOCC2)c1sccc1Br ZINC000333161762 554581998 /nfs/dbraw/zinc/58/19/98/554581998.db2.gz INHRVZMXOCNTKX-VIFPVBQESA-N -1 1 352.275 2.358 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)n[n-]1)c1ccccc1 ZINC000333373988 554607363 /nfs/dbraw/zinc/60/73/63/554607363.db2.gz ALIPGVBRVAVKOK-QRWLVFNGSA-N -1 1 351.454 2.756 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1Cc2ccccc2S1 ZINC000511014824 561853855 /nfs/dbraw/zinc/85/38/55/561853855.db2.gz YJTLMNULYKQARQ-OAHLLOKOSA-N -1 1 354.435 2.385 20 0 FEADMM CC(C)N1C[C@H](c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CC1=O ZINC000349743921 554740602 /nfs/dbraw/zinc/74/06/02/554740602.db2.gz HJVQSBUPOYJWHL-CYBMUJFWSA-N -1 1 365.393 2.415 20 0 FEADMM O=C(c1nc[n-]c1-c1nc(-c2cnc3cnccn32)no1)c1ccccc1 ZINC000350265079 554774251 /nfs/dbraw/zinc/77/42/51/554774251.db2.gz CNORZZWBJZVLQM-UHFFFAOYSA-N -1 1 357.333 2.400 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(CC(N)=O)cc3)no2)c1 ZINC000350569865 554798493 /nfs/dbraw/zinc/79/84/93/554798493.db2.gz UICQHRGZDOCEBL-UHFFFAOYSA-N -1 1 352.350 2.095 20 0 FEADMM COCc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000350567212 554798583 /nfs/dbraw/zinc/79/85/83/554798583.db2.gz GOUPPKUULFWDJB-UHFFFAOYSA-N -1 1 367.408 2.451 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CCOC[C@@H]2C)no1 ZINC000350600745 554801117 /nfs/dbraw/zinc/80/11/17/554801117.db2.gz RSWFJBGTRKGKBX-SMDDNHRTSA-N -1 1 367.409 2.254 20 0 FEADMM CCOc1cc(-c2noc(CCCS(C)(=O)=O)n2)cc(Cl)c1[O-] ZINC000350788827 554813472 /nfs/dbraw/zinc/81/34/72/554813472.db2.gz WQFXWCXIHLTNLX-UHFFFAOYSA-N -1 1 360.819 2.472 20 0 FEADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1-c1ccc(=O)[nH]n1 ZINC000350815247 554815698 /nfs/dbraw/zinc/81/56/98/554815698.db2.gz NHJVLNOFRGMZCC-UHFFFAOYSA-N -1 1 354.301 2.238 20 0 FEADMM O=C(NCCc1nc(-c2ccc([O-])cc2F)no1)c1[nH]nc2ccccc21 ZINC000350820755 554816119 /nfs/dbraw/zinc/81/61/19/554816119.db2.gz XIIBMSJJRVWAFT-UHFFFAOYSA-N -1 1 367.340 2.430 20 0 FEADMM COc1cc(-c2noc([C@@H]3CN(C)CCO3)n2)cc(Br)c1[O-] ZINC000351217019 554844643 /nfs/dbraw/zinc/84/46/43/554844643.db2.gz JEMYTCNYQVJONP-NSHDSACASA-N -1 1 370.203 2.216 20 0 FEADMM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000361330701 554916976 /nfs/dbraw/zinc/91/69/76/554916976.db2.gz IEYGAFVZVBCQGC-QAPCUYQASA-N -1 1 364.417 2.181 20 0 FEADMM Cn1nnc2cc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)ccc21 ZINC000361581585 554925770 /nfs/dbraw/zinc/92/57/70/554925770.db2.gz FNSZPFLJADGARO-UHFFFAOYSA-N -1 1 364.405 2.409 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(NC(=O)C4CCC4)CC3)cnc2n1 ZINC000363073145 555024114 /nfs/dbraw/zinc/02/41/14/555024114.db2.gz IMUBAUOCSRZGME-UHFFFAOYSA-N -1 1 368.437 2.165 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(NC(=O)C3CCC3)CC1)c2=O ZINC000363073145 555024116 /nfs/dbraw/zinc/02/41/16/555024116.db2.gz IMUBAUOCSRZGME-UHFFFAOYSA-N -1 1 368.437 2.165 20 0 FEADMM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512016577 561889093 /nfs/dbraw/zinc/88/90/93/561889093.db2.gz HJAIUDSUKLSKKK-CZUORRHYSA-N -1 1 352.394 2.359 20 0 FEADMM O=C([O-])[C@@H]1CCCN([C@@H]2CCN(c3ccccc3OC(F)F)C2=O)C1 ZINC000363789416 555186695 /nfs/dbraw/zinc/18/66/95/555186695.db2.gz NSAQEGDYYBTJIE-DGCLKSJQSA-N -1 1 354.353 2.190 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(Cl)c1[O-] ZINC000363999767 555230643 /nfs/dbraw/zinc/23/06/43/555230643.db2.gz JLGLMMPGBYSFPJ-IRUJWGPZSA-N -1 1 352.818 2.183 20 0 FEADMM CCc1nocc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000512227131 561896733 /nfs/dbraw/zinc/89/67/33/561896733.db2.gz QRBWJLGJSMNIDI-UHFFFAOYSA-N -1 1 369.443 2.179 20 0 FEADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000364146463 555258260 /nfs/dbraw/zinc/25/82/60/555258260.db2.gz YXHLOOVTRDIFAR-AWEZNQCLSA-N -1 1 351.362 2.185 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCSC4(CCOCC4)C3)cnc2n1 ZINC000364279282 555283801 /nfs/dbraw/zinc/28/38/01/555283801.db2.gz MMYGCDUQRXURBO-UHFFFAOYSA-N -1 1 359.451 2.382 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCSC3(CCOCC3)C1)c2=O ZINC000364279282 555283803 /nfs/dbraw/zinc/28/38/03/555283803.db2.gz MMYGCDUQRXURBO-UHFFFAOYSA-N -1 1 359.451 2.382 20 0 FEADMM Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3ccc([O-])cc3F)CC2)no1 ZINC000364693652 555376263 /nfs/dbraw/zinc/37/62/63/555376263.db2.gz DPXJRCKRAWANKJ-CYBMUJFWSA-N -1 1 362.405 2.349 20 0 FEADMM CCn1nccc1C1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000364764645 555396805 /nfs/dbraw/zinc/39/68/05/555396805.db2.gz PAPUVXXZRALMLC-UHFFFAOYSA-N -1 1 351.410 2.159 20 0 FEADMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000364801635 555407107 /nfs/dbraw/zinc/40/71/07/555407107.db2.gz DJLMJFMDNLDBBT-NILFDRSVSA-N -1 1 363.439 2.133 20 0 FEADMM COc1c2ccccc2[nH]c1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000512578316 561909555 /nfs/dbraw/zinc/90/95/55/561909555.db2.gz OICSNVUYVIBVMW-UHFFFAOYSA-N -1 1 365.393 2.472 20 0 FEADMM CC(C)N1CC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC000365259334 555525369 /nfs/dbraw/zinc/52/53/69/555525369.db2.gz WHSGIVSFLCNSLJ-QGZVFWFLSA-N -1 1 373.453 2.006 20 0 FEADMM CN1C(=O)CC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@@H]1c1cccs1 ZINC000365417419 555569785 /nfs/dbraw/zinc/56/97/85/555569785.db2.gz AYHYUDQUNBRHIQ-GMSGAONNSA-N -1 1 373.360 2.433 20 0 FEADMM Cn1nccc1[C@H]1[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCC(=O)N1C ZINC000365797004 555669246 /nfs/dbraw/zinc/66/92/46/555669246.db2.gz GNMQCUYFCOWVKU-BDJLRTHQSA-N -1 1 371.372 2.392 20 0 FEADMM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000365816335 555673540 /nfs/dbraw/zinc/67/35/40/555673540.db2.gz DNTFMBKKGLLXAP-QGZVFWFLSA-N -1 1 354.406 2.055 20 0 FEADMM Cn1cc(C(=O)C(=O)N=c2cc(-c3cc4ccccc4s3)[n-][nH]2)cn1 ZINC000366165968 555770078 /nfs/dbraw/zinc/77/00/78/555770078.db2.gz ZUHQOOMYLRFFHR-UHFFFAOYSA-N -1 1 351.391 2.846 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000513791883 561949837 /nfs/dbraw/zinc/94/98/37/561949837.db2.gz WNXQRZGQTDUCNP-ZDUSSCGKSA-N -1 1 369.370 2.398 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)c2ccc(OC)cc2)c1 ZINC000513796724 561950131 /nfs/dbraw/zinc/95/01/31/561950131.db2.gz ZRGUUSMWXYXELJ-UHFFFAOYSA-N -1 1 367.423 2.331 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2OC)c1 ZINC000513847462 561952401 /nfs/dbraw/zinc/95/24/01/561952401.db2.gz LNOWBXLXTBMVIM-WMLDXEAASA-N -1 1 365.407 2.083 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2OC)c1 ZINC000513848766 561952515 /nfs/dbraw/zinc/95/25/15/561952515.db2.gz NCWKTPIJNBLCCP-SECBINFHSA-N -1 1 357.359 2.253 20 0 FEADMM CCC[C@H](CC)S(=O)(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000366438453 555843840 /nfs/dbraw/zinc/84/38/40/555843840.db2.gz XXIYCTUUNYLFCJ-ZDUSSCGKSA-N -1 1 372.491 2.069 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c(-c2nnc[nH]2)c1 ZINC000367399332 556038101 /nfs/dbraw/zinc/03/81/01/556038101.db2.gz ORHUIJQMZZXTFE-UHFFFAOYSA-N -1 1 368.369 2.043 20 0 FEADMM N=c1nc(N2CCN(C(=O)N[C@H](C(F)F)C3CCCCC3)CC2)s[n-]1 ZINC000621512281 556099398 /nfs/dbraw/zinc/09/93/98/556099398.db2.gz YKWCDIPHYDAKGZ-NSHDSACASA-N -1 1 374.461 2.166 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC2(CCC2)CC1 ZINC000367641015 556103089 /nfs/dbraw/zinc/10/30/89/556103089.db2.gz BBTQFIRYSWMXCK-UHFFFAOYSA-N -1 1 374.485 2.053 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Oc2cccc(C)c2C)CC1 ZINC000367667179 556109118 /nfs/dbraw/zinc/10/91/18/556109118.db2.gz AURQRHVUEQMSKY-UHFFFAOYSA-N -1 1 365.455 2.414 20 0 FEADMM COC(=O)[C@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc21 ZINC000367821480 556147579 /nfs/dbraw/zinc/14/75/79/556147579.db2.gz NWOHPFUKLJMFSK-HOCLYGCPSA-N -1 1 363.373 2.055 20 0 FEADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000367875686 556161465 /nfs/dbraw/zinc/16/14/65/556161465.db2.gz AUDDECWICKGLNP-VIFPVBQESA-N -1 1 351.790 2.237 20 0 FEADMM COc1ccc(NC(=O)NCc2ccc(C)cn2)cc1[N-]S(C)(=O)=O ZINC000514933853 561987658 /nfs/dbraw/zinc/98/76/58/561987658.db2.gz AUYTVEQMKHAZHA-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM O=C(c1ccncc1)N1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000368014583 556195398 /nfs/dbraw/zinc/19/53/98/556195398.db2.gz AEFZRAWCHLDQIE-UHFFFAOYSA-N -1 1 361.348 2.054 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000368814392 556420853 /nfs/dbraw/zinc/42/08/53/556420853.db2.gz RQOHUPVWXJVGFM-OAHLLOKOSA-N -1 1 372.469 2.402 20 0 FEADMM COC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368867647 556433248 /nfs/dbraw/zinc/43/32/48/556433248.db2.gz HUMZIPVEEOBOQR-CXAGYDPISA-N -1 1 356.422 2.301 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370857676 556993093 /nfs/dbraw/zinc/99/30/93/556993093.db2.gz PJOBIJODCQVZMF-GIPNMCIBSA-N -1 1 368.224 2.210 20 0 FEADMM C[C@@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(C(F)(F)F)cc1 ZINC000370893685 557005843 /nfs/dbraw/zinc/00/58/43/557005843.db2.gz WKPWLEVEXPYSCZ-GWCFXTLKSA-N -1 1 369.347 2.312 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOC[C@H]1c1ccco1 ZINC000371034954 557052518 /nfs/dbraw/zinc/05/25/18/557052518.db2.gz BKIYYEDJUKZBBI-HNNXBMFYSA-N -1 1 370.409 2.177 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000371298589 557136128 /nfs/dbraw/zinc/13/61/28/557136128.db2.gz XPEUBPFBDRDMBZ-ZACQAIPSSA-N -1 1 355.442 2.382 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCOC3(CCC3)C2)c([O-])c1 ZINC000371311040 557141683 /nfs/dbraw/zinc/14/16/83/557141683.db2.gz QXHOKYAZZYVXDV-UHFFFAOYSA-N -1 1 371.393 2.336 20 0 FEADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)ccc2[nH]1 ZINC000518643141 562115913 /nfs/dbraw/zinc/11/59/13/562115913.db2.gz KPFCGUHBPDREEF-UHFFFAOYSA-N -1 1 354.395 2.253 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1OC ZINC000519124196 562125533 /nfs/dbraw/zinc/12/55/33/562125533.db2.gz AEIGKGMUPIAPNM-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc21 ZINC000519216250 562127414 /nfs/dbraw/zinc/12/74/14/562127414.db2.gz FKCRZCBLRSKFBH-UHFFFAOYSA-N -1 1 373.390 2.243 20 0 FEADMM Cc1n[n-]c(=NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)s1 ZINC000372532300 557494768 /nfs/dbraw/zinc/49/47/68/557494768.db2.gz OIPMNVVBGKFYTL-LBPRGKRZSA-N -1 1 355.427 3.001 20 0 FEADMM Cc1n[n-]c(=NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)s1 ZINC000372532300 557494771 /nfs/dbraw/zinc/49/47/71/557494771.db2.gz OIPMNVVBGKFYTL-LBPRGKRZSA-N -1 1 355.427 3.001 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000373097702 557627674 /nfs/dbraw/zinc/62/76/74/557627674.db2.gz RJOQLKNPEBWSPW-UHFFFAOYSA-N -1 1 373.434 2.122 20 0 FEADMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000373337660 557675179 /nfs/dbraw/zinc/67/51/79/557675179.db2.gz DDUNPFKSTQEEPB-JTQLQIEISA-N -1 1 358.360 2.135 20 0 FEADMM C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1ncccc1[O-] ZINC000373517089 557709878 /nfs/dbraw/zinc/70/98/78/557709878.db2.gz SLJNTSXPTBRGRE-MAUKXSAKSA-N -1 1 355.438 2.149 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(OCC2CC2)c1 ZINC000373758016 557752725 /nfs/dbraw/zinc/75/27/25/557752725.db2.gz OVVKRKJILJNAJL-CYBMUJFWSA-N -1 1 357.414 2.017 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)o1 ZINC000373880473 557779333 /nfs/dbraw/zinc/77/93/33/557779333.db2.gz XPJKSNWTNNEUIG-MJHDQNEOSA-N -1 1 370.377 2.142 20 0 FEADMM NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000373978345 557799991 /nfs/dbraw/zinc/79/99/91/557799991.db2.gz VHMYEXOMDSOKMO-SFHVURJKSA-N -1 1 367.449 2.100 20 0 FEADMM O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cc(=O)c2ccccc2[nH]1 ZINC000374478492 557889396 /nfs/dbraw/zinc/88/93/96/557889396.db2.gz CQFPYUCCYMDVCF-UHFFFAOYSA-N -1 1 365.437 2.463 20 0 FEADMM CC[C@]1(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCN(C(=O)OC(C)(C)C)C1 ZINC000374651993 557912256 /nfs/dbraw/zinc/91/22/56/557912256.db2.gz DMIZCPOLUBRUEP-MAGMUUGSSA-N -1 1 373.457 2.318 20 0 FEADMM CCCN1C[C@@H](C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1=O ZINC000521223759 562172227 /nfs/dbraw/zinc/17/22/27/562172227.db2.gz GWKWRWPWPQUSOI-LLVKDONJSA-N -1 1 354.403 2.109 20 0 FEADMM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cncnc1-n1cccn1 ZINC000375685435 558067480 /nfs/dbraw/zinc/06/74/80/558067480.db2.gz QFHDCLXVCYBCRD-UHFFFAOYSA-N -1 1 363.830 2.300 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c2cccnc12 ZINC000521828784 562184265 /nfs/dbraw/zinc/18/42/65/562184265.db2.gz FKBRBILIVLYOIE-UHFFFAOYSA-N -1 1 369.402 2.288 20 0 FEADMM NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Br)cc1[O-] ZINC000376821887 558225925 /nfs/dbraw/zinc/22/59/25/558225925.db2.gz GLMBSRGOVDLQQN-ICCXJUOJSA-N -1 1 367.243 2.413 20 0 FEADMM Cc1cncc(-c2cc([N-]C(=O)c3cnc(C4OCCO4)s3)no2)c1 ZINC000377218468 558291093 /nfs/dbraw/zinc/29/10/93/558291093.db2.gz VHAPXZRQLBONOH-UHFFFAOYSA-N -1 1 358.379 2.799 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)o1 ZINC000377301725 558309950 /nfs/dbraw/zinc/30/99/50/558309950.db2.gz VMYGHUXFEJWWQZ-ZIAGYGMSSA-N -1 1 365.407 2.265 20 0 FEADMM O=S(=O)([N-][C@H]1COc2ccccc2[C@H]1O)c1c(F)cccc1Cl ZINC000377346182 558320700 /nfs/dbraw/zinc/32/07/00/558320700.db2.gz MTCYKYTZNIFYOJ-GXTWGEPZSA-N -1 1 357.790 2.252 20 0 FEADMM CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377528486 558358033 /nfs/dbraw/zinc/35/80/33/558358033.db2.gz RGMWDSFCZCEZRC-HNNXBMFYSA-N -1 1 359.430 2.116 20 0 FEADMM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377586216 558371379 /nfs/dbraw/zinc/37/13/79/558371379.db2.gz SROJEKMBUVJKTK-KBPBESRZSA-N -1 1 357.458 2.264 20 0 FEADMM CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cc(O)ccc3Cl)C2)CC1 ZINC000377892206 558443077 /nfs/dbraw/zinc/44/30/77/558443077.db2.gz FKTTUPSCBDWIJU-AWEZNQCLSA-N -1 1 351.878 2.288 20 0 FEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522856088 562204931 /nfs/dbraw/zinc/20/49/31/562204931.db2.gz CXBMJBZMUADDAK-UHFFFAOYSA-N -1 1 354.418 2.033 20 0 FEADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cccc3c2OCCC3=O)c1 ZINC000378048096 558469658 /nfs/dbraw/zinc/46/96/58/558469658.db2.gz XJUDLDSGEAUIIA-UHFFFAOYSA-N -1 1 361.375 2.080 20 0 FEADMM O=C(Cc1ccc(Br)s1)NC1(c2nn[n-]n2)CCCC1 ZINC000522930144 562206286 /nfs/dbraw/zinc/20/62/86/562206286.db2.gz SUBZRERUFRAOPF-UHFFFAOYSA-N -1 1 356.249 2.152 20 0 FEADMM NC(=O)[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000378518681 558573898 /nfs/dbraw/zinc/57/38/98/558573898.db2.gz LCHRKXQPALSLES-YMTOWFKASA-N -1 1 370.327 2.127 20 0 FEADMM CO[C@H](CNC(=O)c1cc(I)ccc1[O-])C(C)C ZINC000381265785 558603856 /nfs/dbraw/zinc/60/38/56/558603856.db2.gz GGZDVCCJMJFBLU-GFCCVEGCSA-N -1 1 363.195 2.398 20 0 FEADMM O=C(NCCC1(O)CCC1)c1cc(I)ccc1[O-] ZINC000398287951 558625967 /nfs/dbraw/zinc/62/59/67/558625967.db2.gz VWSQGYVHIPHDEK-UHFFFAOYSA-N -1 1 361.179 2.032 20 0 FEADMM CC(C)[C@@](C)(CO)NC(=O)c1cc(I)ccc1[O-] ZINC000398524280 558626680 /nfs/dbraw/zinc/62/66/80/558626680.db2.gz UHALDOPYOMEMRQ-CYBMUJFWSA-N -1 1 363.195 2.134 20 0 FEADMM C[C@@H]1CN(C(=O)CSCC(=O)[O-])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404379253 558631280 /nfs/dbraw/zinc/63/12/80/558631280.db2.gz KRPDCCGWMPMNJG-QLFBSQMISA-N -1 1 350.484 2.314 20 0 FEADMM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)o2)CCO[C@@H]1C1CC1 ZINC000408214827 558657001 /nfs/dbraw/zinc/65/70/01/558657001.db2.gz MRTLNLXVWBZXKT-VXGBXAGGSA-N -1 1 350.234 2.278 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000408227235 558658451 /nfs/dbraw/zinc/65/84/51/558658451.db2.gz AOFTYFJSETWRKY-CQSZACIVSA-N -1 1 355.442 2.433 20 0 FEADMM C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450207 558678648 /nfs/dbraw/zinc/67/86/48/558678648.db2.gz DEKCTRJHVDZVFU-KBPBESRZSA-N -1 1 358.417 2.416 20 0 FEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450207 558678651 /nfs/dbraw/zinc/67/86/51/558678651.db2.gz DEKCTRJHVDZVFU-KBPBESRZSA-N -1 1 358.417 2.416 20 0 FEADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1CCOC1 ZINC000524357848 562227399 /nfs/dbraw/zinc/22/73/99/562227399.db2.gz RMZCZNLJWMVALJ-MRXNPFEDSA-N -1 1 374.462 2.482 20 0 FEADMM Cc1ccc(NC(=O)C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000524521982 562229980 /nfs/dbraw/zinc/22/99/80/562229980.db2.gz PASTXZYJLSJZQK-UHFFFAOYSA-N -1 1 373.434 2.013 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(Cl)cc1Br ZINC000410290295 558750147 /nfs/dbraw/zinc/75/01/47/558750147.db2.gz VSPMRWLGKVGWTK-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2)c1 ZINC000410328152 558751604 /nfs/dbraw/zinc/75/16/04/558751604.db2.gz BJORJOPAGBMNNG-UHFFFAOYSA-N -1 1 363.439 2.118 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCC3=O)cc2)c(F)c1 ZINC000410415455 558756501 /nfs/dbraw/zinc/75/65/01/558756501.db2.gz DSXKBHQXRWABJG-UHFFFAOYSA-N -1 1 364.354 2.061 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(F)c1 ZINC000526005215 562263257 /nfs/dbraw/zinc/26/32/57/562263257.db2.gz FSZBBSZGVGXLKM-UHFFFAOYSA-N -1 1 357.334 2.045 20 0 FEADMM CC1(C)C[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000412551991 559042720 /nfs/dbraw/zinc/04/27/20/559042720.db2.gz WPEXBWNYHDMUCL-JTQLQIEISA-N -1 1 351.255 2.186 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412681203 559050436 /nfs/dbraw/zinc/05/04/36/559050436.db2.gz UMJZIUILWWAAKU-INIZCTEOSA-N -1 1 365.433 2.313 20 0 FEADMM COc1cc(NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000526981392 562271786 /nfs/dbraw/zinc/27/17/86/562271786.db2.gz GIJVIAXPOMRICY-MNOVXSKESA-N -1 1 354.428 2.011 20 0 FEADMM COc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc(Cl)c1[O-] ZINC000413909164 559139328 /nfs/dbraw/zinc/13/93/28/559139328.db2.gz SNPTYFBFLBLMPY-CYBMUJFWSA-N -1 1 373.858 2.094 20 0 FEADMM Cc1nn(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1C(F)F ZINC000414453709 559164645 /nfs/dbraw/zinc/16/46/45/559164645.db2.gz NFNFWWWEWVIZHQ-UHFFFAOYSA-N -1 1 359.280 2.209 20 0 FEADMM CC(C)c1nncn1CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000414465455 559165960 /nfs/dbraw/zinc/16/59/60/559165960.db2.gz XMBYJLHIBSOLGX-UHFFFAOYSA-N -1 1 352.391 2.265 20 0 FEADMM Cc1c(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cnn1-c1ccccn1 ZINC000414475630 559167210 /nfs/dbraw/zinc/16/72/10/559167210.db2.gz HOGCCBMWSRBCMO-ZDUSSCGKSA-N -1 1 362.377 2.441 20 0 FEADMM COc1ccc2oc(CN[C@H]3CCN([C@H](C(=O)[O-])C(C)C)C3=O)cc2c1 ZINC000414650350 559177263 /nfs/dbraw/zinc/17/72/63/559177263.db2.gz FJPWWIROWDYYCB-RDJZCZTQSA-N -1 1 360.410 2.241 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)[n-]1 ZINC000415650700 559258153 /nfs/dbraw/zinc/25/81/53/559258153.db2.gz SNOXJGRIFQANDR-JXQTWKCFSA-N -1 1 365.430 2.279 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC000415650700 559258155 /nfs/dbraw/zinc/25/81/55/559258155.db2.gz SNOXJGRIFQANDR-JXQTWKCFSA-N -1 1 365.430 2.279 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000416179982 559296753 /nfs/dbraw/zinc/29/67/53/559296753.db2.gz RIQXXQJLDJOQSA-UHFFFAOYSA-N -1 1 370.192 2.402 20 0 FEADMM CC[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)Oc1cccc(Cl)c1 ZINC000416186849 559297106 /nfs/dbraw/zinc/29/71/06/559297106.db2.gz CJOKAALQGVKBEC-SNVBAGLBSA-N -1 1 367.789 2.137 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](c1cccc(C)c1)C(F)(F)F ZINC000416195278 559297598 /nfs/dbraw/zinc/29/75/98/559297598.db2.gz IWSIQDWNPDUSNX-LLVKDONJSA-N -1 1 357.288 2.238 20 0 FEADMM COC(=O)CSCCC(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000416243138 559300658 /nfs/dbraw/zinc/30/06/58/559300658.db2.gz AVGKQLWQOLCKEB-UHFFFAOYSA-N -1 1 351.403 2.759 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)n1 ZINC000416481579 559316487 /nfs/dbraw/zinc/31/64/87/559316487.db2.gz VMRYPMQMGCDRAQ-UHFFFAOYSA-N -1 1 363.399 2.005 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000416834033 559334326 /nfs/dbraw/zinc/33/43/26/559334326.db2.gz WDLYEBCFVBVZCZ-WOPDTQHZSA-N -1 1 371.459 2.002 20 0 FEADMM COc1ccc(NC(=O)NC[C@H](CC(C)C)OC)cc1[N-]S(C)(=O)=O ZINC000416890236 559336805 /nfs/dbraw/zinc/33/68/05/559336805.db2.gz WDOTVGYGPFPXPJ-ZDUSSCGKSA-N -1 1 373.475 2.249 20 0 FEADMM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000417416257 559361386 /nfs/dbraw/zinc/36/13/86/559361386.db2.gz ICJIPPVLDDUAJH-QMMMGPOBSA-N -1 1 355.334 2.285 20 0 FEADMM O=C([O-])CCCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000417430594 559361835 /nfs/dbraw/zinc/36/18/35/559361835.db2.gz PNKHCFYTADCNQY-UHFFFAOYSA-N -1 1 355.334 2.334 20 0 FEADMM CCOC[C@H](NCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC000417613602 559369244 /nfs/dbraw/zinc/36/92/44/559369244.db2.gz ZZIJHKULKIUZEA-LBPRGKRZSA-N -1 1 362.220 2.046 20 0 FEADMM Cc1nnc(CCN=c2[n-]c(C(F)(F)F)c(Br)s2)n1C ZINC000418931016 559422385 /nfs/dbraw/zinc/42/23/85/559422385.db2.gz BTEZMVMFQJNXGI-UHFFFAOYSA-N -1 1 370.198 3.016 20 0 FEADMM CCOC(=O)c1coc(=NC[C@H]2CSCCN2Cc2ccccc2)[n-]1 ZINC000418937129 559422678 /nfs/dbraw/zinc/42/26/78/559422678.db2.gz FLTZIVJCDWXWNF-HNNXBMFYSA-N -1 1 361.467 2.881 20 0 FEADMM CCCN1C[C@@H](CNC(=O)c2ccc(Br)c([O-])c2)CC1=O ZINC000421908788 559556183 /nfs/dbraw/zinc/55/61/83/559556183.db2.gz DOKNFODAKBWOHV-SNVBAGLBSA-N -1 1 355.232 2.143 20 0 FEADMM CCCN1C[C@H](CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1=O ZINC000421915914 559556378 /nfs/dbraw/zinc/55/63/78/559556378.db2.gz KTJPCUZAAQDKAD-NSHDSACASA-N -1 1 354.834 2.433 20 0 FEADMM Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000422683634 559602562 /nfs/dbraw/zinc/60/25/62/559602562.db2.gz MUNBZMIVMSHNCW-LBPRGKRZSA-N -1 1 360.414 2.206 20 0 FEADMM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000424109936 559655094 /nfs/dbraw/zinc/65/50/94/559655094.db2.gz WVNAKVWKGUCVFL-UHFFFAOYSA-N -1 1 359.426 2.411 20 0 FEADMM Cn1nccc1[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)C(=O)[O-] ZINC000424629807 559671686 /nfs/dbraw/zinc/67/16/86/559671686.db2.gz YIXSTRAQNYCFGS-ZDUSSCGKSA-N -1 1 361.295 2.416 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCC[C@@H](F)C1 ZINC000424767667 559676167 /nfs/dbraw/zinc/67/61/67/559676167.db2.gz RDOAQDDGICZPDP-GHMZBOCLSA-N -1 1 356.419 2.300 20 0 FEADMM CC(=O)NC[C@@H]1CCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000425217916 559691911 /nfs/dbraw/zinc/69/19/11/559691911.db2.gz WNHZRAROIRIATK-RDJZCZTQSA-N -1 1 353.470 3.002 20 0 FEADMM COC[C@]1(C(=O)OC)CCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000425266231 559694241 /nfs/dbraw/zinc/69/42/41/559694241.db2.gz HIZOKIPSGFWIEX-YWZLYKJASA-N -1 1 370.453 2.666 20 0 FEADMM Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300394 559695401 /nfs/dbraw/zinc/69/54/01/559695401.db2.gz LECVWKDAKRGNSQ-GFCCVEGCSA-N -1 1 371.372 2.428 20 0 FEADMM O=C([C@H]1CCN(c2ccccc2F)C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425310534 559695947 /nfs/dbraw/zinc/69/59/47/559695947.db2.gz XLFPGKULLJGNHJ-OLZOCXBDSA-N -1 1 360.389 2.147 20 0 FEADMM Cc1onc(-c2cccnc2)c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425322197 559696617 /nfs/dbraw/zinc/69/66/17/559696617.db2.gz NNJLUERNZUJOAR-UHFFFAOYSA-N -1 1 355.354 2.153 20 0 FEADMM Cc1nc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)ccc1C(=O)[O-] ZINC000426654754 559739794 /nfs/dbraw/zinc/73/97/94/559739794.db2.gz AGIKSONQHUUBGD-UHFFFAOYSA-N -1 1 366.377 2.497 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000427259674 559751608 /nfs/dbraw/zinc/75/16/08/559751608.db2.gz HPRWEJGWCQUKML-OAHLLOKOSA-N -1 1 353.422 2.378 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(O)cc(OC)c2)CCCCC1 ZINC000427328635 559753448 /nfs/dbraw/zinc/75/34/48/559753448.db2.gz DEJRKWLHBGGEMB-UHFFFAOYSA-N -1 1 357.428 2.266 20 0 FEADMM Cc1cnc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000427541378 559757665 /nfs/dbraw/zinc/75/76/65/559757665.db2.gz PVFIUEHNHMKZCR-DYVFJYSZSA-N -1 1 361.348 2.076 20 0 FEADMM CN1CCO[C@H]([C@H](NC(=O)c2ncccc2[O-])c2ccc(Cl)cc2)C1 ZINC000427553312 559757871 /nfs/dbraw/zinc/75/78/71/559757871.db2.gz NSQHVYWANRGSAW-JKSUJKDBSA-N -1 1 361.829 2.242 20 0 FEADMM O=C(N[C@H](CCO)c1ccccc1Br)c1ncccc1[O-] ZINC000427895740 559764928 /nfs/dbraw/zinc/76/49/28/559764928.db2.gz LZGTWLMDEQWCRE-GFCCVEGCSA-N -1 1 351.200 2.403 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ncccc1[O-])c1ccc(OC(F)F)cc1 ZINC000428025512 559767594 /nfs/dbraw/zinc/76/75/94/559767594.db2.gz SKBSEXRJYIVMNG-LBPRGKRZSA-N -1 1 352.293 2.033 20 0 FEADMM CN(CCC(=O)[O-])C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000428044062 559768299 /nfs/dbraw/zinc/76/82/99/559768299.db2.gz IZSTVBHJCXOXHF-UHFFFAOYSA-N -1 1 352.188 2.386 20 0 FEADMM CC[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000428706409 559781536 /nfs/dbraw/zinc/78/15/36/559781536.db2.gz ACZTYPCDAZWMLP-IBGZPJMESA-N -1 1 374.462 2.474 20 0 FEADMM CC[C@@H](CN=c1ccc(C(N)=O)n[n-]1)Oc1cccc(C(F)(F)F)c1 ZINC000431830090 559846741 /nfs/dbraw/zinc/84/67/41/559846741.db2.gz HQVUJKIVLWEJPC-NSHDSACASA-N -1 1 354.332 2.864 20 0 FEADMM O=S(=O)([N-]CCC1CC(O)C1)c1cc(Br)c(F)cc1F ZINC000432307708 559856011 /nfs/dbraw/zinc/85/60/11/559856011.db2.gz SFODHIRNOSPRTM-UHFFFAOYSA-N -1 1 370.215 2.167 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CN1C1CC1 ZINC000435442375 559923184 /nfs/dbraw/zinc/92/31/84/559923184.db2.gz KVDOLYGLIDTXGW-MRVPVSSYSA-N -1 1 367.229 2.174 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C(F)F)c1c(Cl)cccc1C(F)(F)F ZINC000435622666 559926626 /nfs/dbraw/zinc/92/66/26/559926626.db2.gz FGISNNVEMBLXNK-ZETCQYMHSA-N -1 1 353.696 2.263 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1C ZINC000435724992 559928910 /nfs/dbraw/zinc/92/89/10/559928910.db2.gz VTNQGNCYSDJLGA-UHFFFAOYSA-N -1 1 365.455 2.153 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N=c1ccn(C(C)C)[nH]1 ZINC000435926888 559932459 /nfs/dbraw/zinc/93/24/59/559932459.db2.gz PCBZLVCFKURLHS-UHFFFAOYSA-N -1 1 350.444 2.868 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000436015439 559933771 /nfs/dbraw/zinc/93/37/71/559933771.db2.gz ICIMGFVVCALRRO-UHFFFAOYSA-N -1 1 366.464 2.334 20 0 FEADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000436176231 559936709 /nfs/dbraw/zinc/93/67/09/559936709.db2.gz CEJAEHDJVYLUGR-UHFFFAOYSA-N -1 1 354.395 2.253 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(OCC(F)F)n2)c1 ZINC000436503330 559943610 /nfs/dbraw/zinc/94/36/10/559943610.db2.gz JWULONRHGQXUMJ-UHFFFAOYSA-N -1 1 352.293 2.470 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(N3CCCC3=O)c2)c1 ZINC000436510244 559943631 /nfs/dbraw/zinc/94/36/31/559943631.db2.gz TXWRLAMDCAIZSA-UHFFFAOYSA-N -1 1 368.389 2.487 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ncccc2OCC(F)F)c1 ZINC000436509163 559943772 /nfs/dbraw/zinc/94/37/72/559943772.db2.gz RJOCWRSKSBXLLY-UHFFFAOYSA-N -1 1 352.293 2.470 20 0 FEADMM CCOC(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])nc1C ZINC000436516908 559944005 /nfs/dbraw/zinc/94/40/05/559944005.db2.gz XVUPXVOEZZZRNC-UHFFFAOYSA-N -1 1 358.350 2.311 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1cc(F)ccc1[O-])Oc1ccc(F)cc1 ZINC000436524688 559944201 /nfs/dbraw/zinc/94/42/01/559944201.db2.gz JUDFSGUCNLCYPE-OAHLLOKOSA-N -1 1 351.305 2.021 20 0 FEADMM O=C(CNC(=O)c1cc(Cl)ccc1[O-])N[C@@H]1CCOc2ccccc21 ZINC000436522902 559944345 /nfs/dbraw/zinc/94/43/45/559944345.db2.gz YDURNAYZBRRTTJ-CQSZACIVSA-N -1 1 360.797 2.415 20 0 FEADMM COc1cc(C[C@@H](CO)CNC(=O)c2cc(F)ccc2[O-])cc(OC)c1 ZINC000436583093 559945914 /nfs/dbraw/zinc/94/59/14/559945914.db2.gz GPYIQQWAJBRHHO-CYBMUJFWSA-N -1 1 363.385 2.130 20 0 FEADMM O=C(N=c1cc2ccc(Br)cn2[nH]1)C(=O)c1ccc([O-])cc1 ZINC000436625431 559946815 /nfs/dbraw/zinc/94/68/15/559946815.db2.gz OQYOTHGVFQJUGW-UHFFFAOYSA-N -1 1 360.167 2.624 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000436690780 559948958 /nfs/dbraw/zinc/94/89/58/559948958.db2.gz QZKUJKVHIAHIKH-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436689913 559949079 /nfs/dbraw/zinc/94/90/79/559949079.db2.gz SPKFQPPXKLFSLF-OAHLLOKOSA-N -1 1 374.393 2.254 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436711167 559949595 /nfs/dbraw/zinc/94/95/95/559949595.db2.gz DXDOMZYGAHCFCG-DTWKUNHWSA-N -1 1 366.418 2.338 20 0 FEADMM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000436711042 559949690 /nfs/dbraw/zinc/94/96/90/559949690.db2.gz CLALDHQIJHRDRG-RKDXNWHRSA-N -1 1 366.418 2.338 20 0 FEADMM O=C(NCCNC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000436753366 559951060 /nfs/dbraw/zinc/95/10/60/559951060.db2.gz CWDLPZZHKJZGTD-UHFFFAOYSA-N -1 1 363.211 2.315 20 0 FEADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436861321 559954720 /nfs/dbraw/zinc/95/47/20/559954720.db2.gz KMRKLRYYFLLZJQ-UHFFFAOYSA-N -1 1 351.362 2.272 20 0 FEADMM COC(=O)[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(OC)cc1OC ZINC000436940237 559957050 /nfs/dbraw/zinc/95/70/50/559957050.db2.gz VGUDPKKVNGYCRX-MRXNPFEDSA-N -1 1 363.341 2.193 20 0 FEADMM CN(Cc1cc(Br)cn1C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436948460 559957180 /nfs/dbraw/zinc/95/71/80/559957180.db2.gz ORPRYLMCWVQBIU-UHFFFAOYSA-N -1 1 351.200 2.335 20 0 FEADMM O=C(NCCOc1ccc(C(F)(F)F)cn1)C(=O)c1ccc([O-])cc1 ZINC000436952125 559957262 /nfs/dbraw/zinc/95/72/62/559957262.db2.gz VRCQDFAVNCFKML-UHFFFAOYSA-N -1 1 354.284 2.184 20 0 FEADMM CCO[C@H]1C[C@](O)(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)C1(C)C ZINC000436982090 559958367 /nfs/dbraw/zinc/95/83/67/559958367.db2.gz FRPHBJHUVFDMEF-GUYCJALGSA-N -1 1 357.834 2.350 20 0 FEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cc(=O)n2[n-]cnc2n1 ZINC000437283816 559962917 /nfs/dbraw/zinc/96/29/17/559962917.db2.gz JFKYRYIDARAIDD-GXSJLCMTSA-N -1 1 364.192 2.010 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](CO)C3)c2)c1 ZINC000438576942 559980870 /nfs/dbraw/zinc/98/08/70/559980870.db2.gz LJADKQJYMRVBEA-OAHLLOKOSA-N -1 1 374.462 2.250 20 0 FEADMM COc1cnccc1[C@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000438604488 559981328 /nfs/dbraw/zinc/98/13/28/559981328.db2.gz NCHNRQFKVVLWOV-JTQLQIEISA-N -1 1 362.455 2.426 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c(C)c1 ZINC000438766773 559983359 /nfs/dbraw/zinc/98/33/59/559983359.db2.gz SVNKUMZIJJINSU-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1 ZINC000438799237 559983865 /nfs/dbraw/zinc/98/38/65/559983865.db2.gz XFQLHNNVNHZFPU-UHFFFAOYSA-N -1 1 360.435 2.354 20 0 FEADMM COCCN1CC[C@H](NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000439206744 559990154 /nfs/dbraw/zinc/99/01/54/559990154.db2.gz AGSKVTLPAYXDBZ-INIZCTEOSA-N -1 1 372.469 2.152 20 0 FEADMM Cn1[n-]c(CN2CCC(c3cccc(Br)c3)CC2)nc1=O ZINC000439334625 559992236 /nfs/dbraw/zinc/99/22/36/559992236.db2.gz XXTKPOKSJQHOMO-UHFFFAOYSA-N -1 1 351.248 2.251 20 0 FEADMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1F ZINC000440735743 560017350 /nfs/dbraw/zinc/01/73/50/560017350.db2.gz XUIIOWSCVNQEMC-NSHDSACASA-N -1 1 374.368 2.465 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)s[n-]1 ZINC000441525032 560034921 /nfs/dbraw/zinc/03/49/21/560034921.db2.gz XYQHKLDJLNDRQN-UHFFFAOYSA-N -1 1 362.846 2.217 20 0 FEADMM COc1cc(NC(=O)N2CC[C@H](OC)C[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000441666350 560037375 /nfs/dbraw/zinc/03/73/75/560037375.db2.gz GQLWGMUHACBZAD-AAEUAGOBSA-N -1 1 371.459 2.098 20 0 FEADMM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000442226537 560046431 /nfs/dbraw/zinc/04/64/31/560046431.db2.gz AGOOKPXWHDIYRR-UHFFFAOYSA-N -1 1 353.371 2.296 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)o1 ZINC000442781247 560057514 /nfs/dbraw/zinc/05/75/14/560057514.db2.gz MITIERYQAISZGX-LBPRGKRZSA-N -1 1 369.370 2.398 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1 ZINC000443065864 560068879 /nfs/dbraw/zinc/06/88/79/560068879.db2.gz GOLPSRLEVBHSJM-ZFWWWQNUSA-N -1 1 363.439 2.201 20 0 FEADMM COc1cc(C(=O)NCc2ccc3c(c2)C(=O)NCC3)cc(Cl)c1[O-] ZINC000443111096 560071110 /nfs/dbraw/zinc/07/11/10/560071110.db2.gz OWXQKPFAFIETTR-UHFFFAOYSA-N -1 1 360.797 2.270 20 0 FEADMM COc1cc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000443132904 560072122 /nfs/dbraw/zinc/07/21/22/560072122.db2.gz RBRZKBHQRSIBSI-HNNXBMFYSA-N -1 1 374.824 2.238 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C1CCCCC1 ZINC000443347523 560081500 /nfs/dbraw/zinc/08/15/00/560081500.db2.gz XWMOJHWZSTURBL-VXGBXAGGSA-N -1 1 357.476 2.470 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)OC)cc2)c1 ZINC000443403632 560083264 /nfs/dbraw/zinc/08/32/64/560083264.db2.gz QACAEELXKDHHRG-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000443505538 560085730 /nfs/dbraw/zinc/08/57/30/560085730.db2.gz ZVZMYVYNNLYREW-JTQLQIEISA-N -1 1 351.346 2.469 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn(C)c3=O)cc1 ZINC000443528084 560086616 /nfs/dbraw/zinc/08/66/16/560086616.db2.gz IHXLLRSDKLHXAH-UHFFFAOYSA-N -1 1 371.418 2.298 20 0 FEADMM C[C@@H](CCNC(=O)N1CCN(c2nc(=N)[n-]s2)CC1)CC(C)(C)C ZINC000443547367 560087071 /nfs/dbraw/zinc/08/70/71/560087071.db2.gz AOTCDWYDDRZNQY-LBPRGKRZSA-N -1 1 354.524 2.414 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)sn2)c1 ZINC000444345291 560110420 /nfs/dbraw/zinc/11/04/20/560110420.db2.gz PRDUBEXNBSLEPW-UHFFFAOYSA-N -1 1 369.468 2.440 20 0 FEADMM CCOCCOCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444374022 560112215 /nfs/dbraw/zinc/11/22/15/560112215.db2.gz MEQFTCOFPZJDAH-UHFFFAOYSA-N -1 1 364.442 2.446 20 0 FEADMM O=C(NCc1cccnn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000444404370 560113112 /nfs/dbraw/zinc/11/31/12/560113112.db2.gz 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ZINC000446692624 560149864 /nfs/dbraw/zinc/14/98/64/560149864.db2.gz JJONEUJBTLRKBJ-UHFFFAOYSA-N -1 1 369.356 2.277 20 0 FEADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000447274830 560159148 /nfs/dbraw/zinc/15/91/48/560159148.db2.gz OVWJDSRMIIEPDG-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM COc1ccc(-c2nnc(S(=O)(=O)CC3CC3)[n-]2)cc1Br ZINC000447486633 560163055 /nfs/dbraw/zinc/16/30/55/560163055.db2.gz DVBUYBRISWVHKQ-UHFFFAOYSA-N -1 1 372.244 2.427 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CC3CC3)n[n-]2)cc1Br ZINC000447486633 560163056 /nfs/dbraw/zinc/16/30/56/560163056.db2.gz DVBUYBRISWVHKQ-UHFFFAOYSA-N -1 1 372.244 2.427 20 0 FEADMM C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447486638 560163137 /nfs/dbraw/zinc/16/31/37/560163137.db2.gz FGDBDSSVZMXYCN-LLVKDONJSA-N -1 1 365.430 2.437 20 0 FEADMM C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447486638 560163138 /nfs/dbraw/zinc/16/31/38/560163138.db2.gz FGDBDSSVZMXYCN-LLVKDONJSA-N -1 1 365.430 2.437 20 0 FEADMM COc1cc(C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000447658205 560166067 /nfs/dbraw/zinc/16/60/67/560166067.db2.gz DSDYKMZEEJLIPY-TXEJJXNPSA-N -1 1 356.850 2.235 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(C)nc3)c2)n1 ZINC000447673287 560166504 /nfs/dbraw/zinc/16/65/04/560166504.db2.gz XDQJBWIXOBWOTO-UHFFFAOYSA-N -1 1 365.393 2.282 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCCSC)c2)n1 ZINC000447675805 560166606 /nfs/dbraw/zinc/16/66/06/560166606.db2.gz CTWJACZMKVMVSL-UHFFFAOYSA-N -1 1 362.455 2.408 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000447823670 560170304 /nfs/dbraw/zinc/17/03/04/560170304.db2.gz XIQISICTJINVAH-ZCFIWIBFSA-N -1 1 351.306 2.158 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448177334 560179921 /nfs/dbraw/zinc/17/99/21/560179921.db2.gz FHBDVYBDIJTTNO-HNNXBMFYSA-N -1 1 354.472 2.092 20 0 FEADMM COc1cc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000448683345 560194216 /nfs/dbraw/zinc/19/42/16/560194216.db2.gz XRUQWRSAGKXZDH-RKDXNWHRSA-N -1 1 352.334 2.204 20 0 FEADMM CCOC(=O)c1csc(=N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)[n-]1 ZINC000450500934 560264112 /nfs/dbraw/zinc/26/41/12/560264112.db2.gz ORDOAYKJYUYDQT-OLZOCXBDSA-N -1 1 351.472 2.913 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)sc1C ZINC000450876530 560276431 /nfs/dbraw/zinc/27/64/31/560276431.db2.gz WWIIOBOFRFAFHE-BZPMIXESSA-N -1 1 364.471 3.044 20 0 FEADMM O=C(NCCO)c1ccc(=NC[C@@H]2CCCC[C@H]2c2ccccc2)[n-]n1 ZINC000450891201 560276970 /nfs/dbraw/zinc/27/69/70/560276970.db2.gz YSKJDWDLINGROW-IRXDYDNUSA-N -1 1 354.454 2.585 20 0 FEADMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451030709 560283643 /nfs/dbraw/zinc/28/36/43/560283643.db2.gz UMDDQQCJNJQJFS-ZDUSSCGKSA-N -1 1 351.827 2.486 20 0 FEADMM CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451035677 560283837 /nfs/dbraw/zinc/28/38/37/560283837.db2.gz IDXZELGFCXLSTN-NSHDSACASA-N -1 1 352.909 2.037 20 0 FEADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)c(C)cc2Cl)cn1 ZINC000451088443 560286252 /nfs/dbraw/zinc/28/62/52/560286252.db2.gz YKLSQKRESPLWHE-UHFFFAOYSA-N -1 1 357.819 2.127 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CC)c(F)c1 ZINC000451161965 560290540 /nfs/dbraw/zinc/29/05/40/560290540.db2.gz MMYAIEWMLVTDMK-NSHDSACASA-N -1 1 366.480 2.396 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3(C(=O)CC)CC3)c2)n1 ZINC000451283284 560298205 /nfs/dbraw/zinc/29/82/05/560298205.db2.gz FNRMJTYUSXQBAH-UHFFFAOYSA-N -1 1 370.409 2.024 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H]1CCCOC1 ZINC000451385047 560303826 /nfs/dbraw/zinc/30/38/26/560303826.db2.gz PZHQMLGRDJYWBJ-GXSJLCMTSA-N -1 1 367.876 2.038 20 0 FEADMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2sccc2Cl)C1(C)C ZINC000451452364 560307939 /nfs/dbraw/zinc/30/79/39/560307939.db2.gz MDSDNQUUCCHGTM-GWCFXTLKSA-N -1 1 353.893 2.246 20 0 FEADMM C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2sccc2Cl)CCCO1 ZINC000451466201 560308569 /nfs/dbraw/zinc/30/85/69/560308569.db2.gz QVLHFHRXWAZTDZ-LLVKDONJSA-N -1 1 352.909 2.181 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCF)c(F)c1 ZINC000451569351 560315347 /nfs/dbraw/zinc/31/53/47/560315347.db2.gz ROFDMTCPCNYFES-UHFFFAOYSA-N -1 1 370.443 2.005 20 0 FEADMM O=S(=O)([N-]CC1(CF)CCOCC1)c1cccnc1C(F)(F)F ZINC000451820790 560330620 /nfs/dbraw/zinc/33/06/20/560330620.db2.gz ZGWMSLYTOAZYFN-UHFFFAOYSA-N -1 1 356.341 2.145 20 0 FEADMM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000452006237 560344796 /nfs/dbraw/zinc/34/47/96/560344796.db2.gz DVUQASBMBWNBSX-QMMMGPOBSA-N -1 1 373.324 2.343 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000452020215 560345909 /nfs/dbraw/zinc/34/59/09/560345909.db2.gz RBWIXLBJPGNMQO-UHFFFAOYSA-N -1 1 371.409 2.487 20 0 FEADMM CCOC(=O)c1cc(C(=O)[N-]c2nc(C(=O)OC)c(C(C)C)s2)on1 ZINC000452133194 560353242 /nfs/dbraw/zinc/35/32/42/560353242.db2.gz HHUJHVBAKCHMGA-UHFFFAOYSA-N -1 1 367.383 2.470 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]([C@H](CO)C2CC2)C2CC2)c(=O)[n-]1 ZINC000452954740 560379066 /nfs/dbraw/zinc/37/90/66/560379066.db2.gz YLZHAIHVKXOBAO-ZBFHGGJFSA-N -1 1 365.499 2.058 20 0 FEADMM C[C@@H]1CN(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)C[C@H](C)N1C ZINC000454740997 560456314 /nfs/dbraw/zinc/45/63/14/560456314.db2.gz JNTKGURJOGXCPC-TXEJJXNPSA-N -1 1 363.462 2.824 20 0 FEADMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1n1cccn1 ZINC000456625780 560526285 /nfs/dbraw/zinc/52/62/85/560526285.db2.gz CENDGXWGEVAJAT-XHSDSOJGSA-N -1 1 357.410 2.085 20 0 FEADMM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000456847465 560534474 /nfs/dbraw/zinc/53/44/74/560534474.db2.gz OFWHTMFQOKWPCB-OAHLLOKOSA-N -1 1 357.385 2.328 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000457173355 560554483 /nfs/dbraw/zinc/55/44/83/560554483.db2.gz BUSQKSLRAUZVJI-AWEZNQCLSA-N -1 1 360.458 2.306 20 0 FEADMM Cc1ccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)nc1C ZINC000457992197 560598324 /nfs/dbraw/zinc/59/83/24/560598324.db2.gz UKZQRZFXSCKJOR-UHFFFAOYSA-N -1 1 353.426 2.313 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@@H]3C[C@H]3C(C)C)CC2)n1 ZINC000459061816 560664568 /nfs/dbraw/zinc/66/45/68/560664568.db2.gz LJINCPDMLANXTI-KBPBESRZSA-N -1 1 363.462 2.163 20 0 FEADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000459124509 560668202 /nfs/dbraw/zinc/66/82/02/560668202.db2.gz PYYYLDQPRVBDNO-KGLIPLIRSA-N -1 1 366.535 2.558 20 0 FEADMM COc1cc(NC(=O)NC2CCC(OC)CC2)ccc1[N-]S(C)(=O)=O ZINC000459416217 560685301 /nfs/dbraw/zinc/68/53/01/560685301.db2.gz URGAHTHYNIQJMX-UHFFFAOYSA-N -1 1 371.459 2.146 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3csc(-c4ccccc4)n3)ccnc1-2 ZINC000461110111 560761723 /nfs/dbraw/zinc/76/17/23/560761723.db2.gz JPXHBPWTQKHBEQ-UHFFFAOYSA-N -1 1 371.447 2.266 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)ccnc1-2 ZINC000461119073 560761889 /nfs/dbraw/zinc/76/18/89/560761889.db2.gz SLIFVODANBFJIN-UHFFFAOYSA-N -1 1 374.319 2.301 20 0 FEADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl ZINC000461157012 560762470 /nfs/dbraw/zinc/76/24/70/560762470.db2.gz XZDZKMDVSPMLIP-UHFFFAOYSA-N -1 1 355.832 2.486 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 ZINC000461455738 560772143 /nfs/dbraw/zinc/77/21/43/560772143.db2.gz FRGZUVLXDZLPMP-UHFFFAOYSA-N -1 1 359.407 2.342 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(F)cccc2SC)c1 ZINC000461463986 560772726 /nfs/dbraw/zinc/77/27/26/560772726.db2.gz HZMPARHIIQAXAN-UHFFFAOYSA-N -1 1 370.427 2.414 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000461464952 560772744 /nfs/dbraw/zinc/77/27/44/560772744.db2.gz SDFABGAQZMQVJF-UHFFFAOYSA-N -1 1 369.468 2.307 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2F)c1 ZINC000461463230 560772816 /nfs/dbraw/zinc/77/28/16/560772816.db2.gz DOFWGVVGFFTAQC-UHFFFAOYSA-N -1 1 366.414 2.356 20 0 FEADMM CC(C)(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nn[n-]n1 ZINC000461638673 560778221 /nfs/dbraw/zinc/77/82/21/560778221.db2.gz XVAVFUNOAMRCBS-UHFFFAOYSA-N -1 1 356.411 2.179 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)c2ccc(Cl)cc2)o1 ZINC000462410902 560809053 /nfs/dbraw/zinc/80/90/53/560809053.db2.gz UYMNHJVZAXKUQA-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM C[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000464279476 560837794 /nfs/dbraw/zinc/83/77/94/560837794.db2.gz WZILSGGFKXNTPY-QMMMGPOBSA-N -1 1 356.366 2.427 20 0 FEADMM COc1cc(NC(=O)c2ccncc2Cl)ccc1[N-]S(C)(=O)=O ZINC000465025011 560857146 /nfs/dbraw/zinc/85/71/46/560857146.db2.gz SYKVMYPSANELDK-UHFFFAOYSA-N -1 1 355.803 2.367 20 0 FEADMM CCOC(=O)CN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCC1 ZINC000466262052 560883072 /nfs/dbraw/zinc/88/30/72/560883072.db2.gz FMYUDGKNXNCOQH-UHFFFAOYSA-N -1 1 367.471 2.089 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)ccc1C ZINC000467086910 560903344 /nfs/dbraw/zinc/90/33/44/560903344.db2.gz WSTLJXBTFMDYTG-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM CSc1cccc(F)c1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000467515309 560911792 /nfs/dbraw/zinc/91/17/92/560911792.db2.gz VMPRWVWIMGBPJY-UHFFFAOYSA-N -1 1 356.400 2.153 20 0 FEADMM Cc1ccc(C(C)(C)CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000467874883 560919149 /nfs/dbraw/zinc/91/91/49/560919149.db2.gz NFRHCEQLMZABEH-UHFFFAOYSA-N -1 1 359.499 2.445 20 0 FEADMM COc1ccc(NC(=O)NCC2(C(F)F)CC2)cc1[N-]S(C)(=O)=O ZINC000467934556 560919823 /nfs/dbraw/zinc/91/98/23/560919823.db2.gz APNFLPGIPHLVFS-UHFFFAOYSA-N -1 1 363.386 2.234 20 0 FEADMM C[C@H]1[C@H](CO)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468044879 560921518 /nfs/dbraw/zinc/92/15/18/560921518.db2.gz NFMXMRSWZCESMZ-HOCLYGCPSA-N -1 1 374.462 2.330 20 0 FEADMM CC(C)c1noc(CCCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)n1 ZINC000468653019 560935175 /nfs/dbraw/zinc/93/51/75/560935175.db2.gz UFBVWLYNUVJELR-UHFFFAOYSA-N -1 1 358.446 2.700 20 0 FEADMM Cc1cnc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000468721491 560937023 /nfs/dbraw/zinc/93/70/23/560937023.db2.gz CLXLNPGADUIPBW-YWZLYKJASA-N -1 1 356.422 2.278 20 0 FEADMM CC[C@H](C)[C@@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000468866371 560940785 /nfs/dbraw/zinc/94/07/85/560940785.db2.gz GFJIXVRQDNVKPA-DZGCQCFKSA-N -1 1 359.499 2.599 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1)c1ccsc1 ZINC000469082588 560946817 /nfs/dbraw/zinc/94/68/17/560946817.db2.gz WVRCXWLSOCOBLY-OAHLLOKOSA-N -1 1 368.480 2.315 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(Cl)ccc2F)o1 ZINC000470079197 560973726 /nfs/dbraw/zinc/97/37/26/560973726.db2.gz OKMWSVMBVDKPIA-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM COc1ccc(Nc2ccccc2C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470981522 560995882 /nfs/dbraw/zinc/99/58/82/560995882.db2.gz CUSMTDVRHCFUKU-UHFFFAOYSA-N -1 1 350.382 2.371 20 0 FEADMM COCCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000472174841 561020314 /nfs/dbraw/zinc/02/03/14/561020314.db2.gz RALVMVLALXJUJG-UHFFFAOYSA-N -1 1 372.487 2.293 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000473355485 561048185 /nfs/dbraw/zinc/04/81/85/561048185.db2.gz MKCOFWGRCIQANX-UHFFFAOYSA-N -1 1 357.410 2.381 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)CCC(=O)OC(C)C)c(=O)[n-]1 ZINC000473588299 561053329 /nfs/dbraw/zinc/05/33/29/561053329.db2.gz HCLYWWLTWDSQOH-LLVKDONJSA-N -1 1 369.487 2.382 20 0 FEADMM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1=O ZINC000473852789 561059206 /nfs/dbraw/zinc/05/92/06/561059206.db2.gz GFDRGJYEUWTMFL-MRVPVSSYSA-N -1 1 355.218 2.032 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1NC(N)=O ZINC000474301185 561070629 /nfs/dbraw/zinc/07/06/29/561070629.db2.gz BLSBDIYJWHTRNB-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)[n-]1 ZINC000474451583 561074508 /nfs/dbraw/zinc/07/45/08/561074508.db2.gz YYBUGPFRODTILD-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)n[n-]1 ZINC000474451583 561074509 /nfs/dbraw/zinc/07/45/09/561074509.db2.gz YYBUGPFRODTILD-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM C/C=C\C[C@@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000474622052 561078756 /nfs/dbraw/zinc/07/87/56/561078756.db2.gz YHWFQRHUWZNQRD-ZMWSMAPVSA-N -1 1 361.179 2.054 20 0 FEADMM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)CC1=O ZINC000475013077 561087778 /nfs/dbraw/zinc/08/77/78/561087778.db2.gz IDWGRCGPZOMVIG-OLZOCXBDSA-N -1 1 370.457 2.118 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000475800071 561105614 /nfs/dbraw/zinc/10/56/14/561105614.db2.gz SXMFDTRPELJUPA-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CCOCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475808723 561105952 /nfs/dbraw/zinc/10/59/52/561105952.db2.gz JTFSTXMFLZEQNZ-UHFFFAOYSA-N -1 1 366.414 2.279 20 0 FEADMM C[C@H](CN(C)C(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1nn[n-]n1 ZINC000476718564 561126847 /nfs/dbraw/zinc/12/68/47/561126847.db2.gz PNHLJDAZMRKZCC-MRVPVSSYSA-N -1 1 365.850 2.191 20 0 FEADMM O=S(=O)([N-]c1ccc(N2CCOCC2)nc1)c1ccc2ncccc2c1 ZINC000476918581 561131987 /nfs/dbraw/zinc/13/19/87/561131987.db2.gz XSHXGCBDWSMYGC-UHFFFAOYSA-N -1 1 370.434 2.267 20 0 FEADMM O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000528882172 562351444 /nfs/dbraw/zinc/35/14/44/562351444.db2.gz KUOKDELHJFXRCP-GDBMZVCRSA-N -1 1 374.876 2.224 20 0 FEADMM C[C@@H]1[C@H](C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])[C@H]1C1CC1 ZINC000528954731 562354253 /nfs/dbraw/zinc/35/42/53/562354253.db2.gz WSHSLOZYSVELQL-OBPXBXINSA-N -1 1 350.440 2.064 20 0 FEADMM Cn1[n-]c(CN2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)nc1=O ZINC000530445308 562411446 /nfs/dbraw/zinc/41/14/46/562411446.db2.gz RYMOJCTTWWXMNO-HNNXBMFYSA-N -1 1 356.405 2.365 20 0 FEADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1ccc(-n2cnnn2)cc1 ZINC000531629511 562452149 /nfs/dbraw/zinc/45/21/49/562452149.db2.gz VXUYNNDQKOZVAZ-UHFFFAOYSA-N -1 1 373.442 2.234 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000531839535 562458589 /nfs/dbraw/zinc/45/85/89/562458589.db2.gz GPROECQALXZFPZ-ZCFIWIBFSA-N -1 1 364.196 2.319 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1)c1nn[n-]n1 ZINC000532334704 562474542 /nfs/dbraw/zinc/47/45/42/562474542.db2.gz ODAQXHZXVFNQKS-MRXNPFEDSA-N -1 1 353.430 2.202 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2ccnn2)c1 ZINC000532613250 562483218 /nfs/dbraw/zinc/48/32/18/562483218.db2.gz BFMDXNKGKBUHJD-UHFFFAOYSA-N -1 1 364.408 2.136 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c(OC)c1 ZINC000532710801 562486432 /nfs/dbraw/zinc/48/64/32/562486432.db2.gz MZSCXADPZOQDEA-OLZOCXBDSA-N -1 1 350.415 2.218 20 0 FEADMM O=C(Cc1ccc(Br)c(F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000532777131 562488526 /nfs/dbraw/zinc/48/85/26/562488526.db2.gz WALIUNBLTVXLSR-UHFFFAOYSA-N -1 1 368.210 2.230 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)o1 ZINC000532879441 562491511 /nfs/dbraw/zinc/49/15/11/562491511.db2.gz HTFKCKQANFUUQL-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000532931643 562492918 /nfs/dbraw/zinc/49/29/18/562492918.db2.gz WPHJWZQZBPFSQX-UHFFFAOYSA-N -1 1 367.496 2.087 20 0 FEADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000533198707 562501219 /nfs/dbraw/zinc/50/12/19/562501219.db2.gz AOQJOFAPTIAVLA-UHFFFAOYSA-N -1 1 356.382 2.377 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOC(C)C)c1ccc(Cl)c(F)c1 ZINC000533907766 562521014 /nfs/dbraw/zinc/52/10/14/562521014.db2.gz RBFOICKWBPANID-CYBMUJFWSA-N -1 1 367.826 2.038 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCOCC1 ZINC000534636731 562538803 /nfs/dbraw/zinc/53/88/03/562538803.db2.gz QFLQFWNDJLCGAK-INIZCTEOSA-N -1 1 367.423 2.069 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000534693173 562540522 /nfs/dbraw/zinc/54/05/22/562540522.db2.gz WRXUFGRIVULREY-UHFFFAOYSA-N -1 1 367.448 2.402 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000535419465 562558247 /nfs/dbraw/zinc/55/82/47/562558247.db2.gz MDVRPUGNDKIGDR-VIFPVBQESA-N -1 1 372.805 2.490 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000535471703 562559353 /nfs/dbraw/zinc/55/93/53/562559353.db2.gz QDHBGLMMLOUYFG-UHFFFAOYSA-N -1 1 362.407 2.315 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](CO)c2ccccc2C)c(=O)[n-]1 ZINC000536433919 562575455 /nfs/dbraw/zinc/57/54/55/562575455.db2.gz KQFYZGSSMLXIQY-HNNXBMFYSA-N -1 1 361.467 2.303 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc1C ZINC000537032253 562584272 /nfs/dbraw/zinc/58/42/72/562584272.db2.gz DVJBNDKADVNCJM-UHFFFAOYSA-N -1 1 374.422 2.170 20 0 FEADMM O=C(c1cccc(Oc2ccncc2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537123412 562586030 /nfs/dbraw/zinc/58/60/30/562586030.db2.gz REZQVOJQMGWQQE-AWEZNQCLSA-N -1 1 350.382 2.407 20 0 FEADMM Cc1cccc(O)c1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000540695523 562591337 /nfs/dbraw/zinc/59/13/37/562591337.db2.gz XBSYMUFJEALPLA-UHFFFAOYSA-N -1 1 351.380 2.273 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000541501538 562613463 /nfs/dbraw/zinc/61/34/63/562613463.db2.gz UBKDBUJTPPVVET-BFUOFWGJSA-N -1 1 356.426 2.169 20 0 FEADMM CC(C)[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1F ZINC000546156736 562634409 /nfs/dbraw/zinc/63/44/09/562634409.db2.gz BHENASJSFYWDAZ-AWEZNQCLSA-N -1 1 363.780 2.337 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H](C)c2cccnc2)[n-]1 ZINC000550105565 562642595 /nfs/dbraw/zinc/64/25/95/562642595.db2.gz MQTCBTAPVRWKDN-OCCSQVGLSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H](C)c2cccnc2)n[n-]1 ZINC000550105565 562642596 /nfs/dbraw/zinc/64/25/96/562642596.db2.gz MQTCBTAPVRWKDN-OCCSQVGLSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H](C)c2cccnc2)n1 ZINC000550105565 562642597 /nfs/dbraw/zinc/64/25/97/562642597.db2.gz MQTCBTAPVRWKDN-OCCSQVGLSA-N -1 1 359.430 2.384 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c1ccc(C)c(C)c1 ZINC000556369159 674399179 /nfs/dbraw/zinc/39/91/79/674399179.db2.gz NUXCRJVGIJWNTH-LBPRGKRZSA-N -1 1 353.362 2.389 20 0 FEADMM CS(=O)(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000556373942 674399383 /nfs/dbraw/zinc/39/93/83/674399383.db2.gz TYCCTIQPMJYDFV-UHFFFAOYSA-N -1 1 369.867 2.113 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2ccc(C(F)(F)F)c(F)c2C)n[n-]1 ZINC000603018373 568052177 /nfs/dbraw/zinc/05/21/77/568052177.db2.gz QOMBFVGGHQUZSI-UHFFFAOYSA-N -1 1 374.294 2.378 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(C(F)(F)F)c(F)c2C)n1 ZINC000603018373 568052178 /nfs/dbraw/zinc/05/21/78/568052178.db2.gz QOMBFVGGHQUZSI-UHFFFAOYSA-N -1 1 374.294 2.378 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cc(Br)cs2)[n-]1 ZINC000603164829 568069909 /nfs/dbraw/zinc/06/99/09/568069909.db2.gz KXOMGMCDYLFIBT-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cc(Br)cs2)n1 ZINC000603164829 568069910 /nfs/dbraw/zinc/06/99/10/568069910.db2.gz KXOMGMCDYLFIBT-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)n[n-]1 ZINC000603152785 568065177 /nfs/dbraw/zinc/06/51/77/568065177.db2.gz FCSBPAFBGIKDRB-YHAQOWFVSA-N -1 1 356.373 2.374 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)[n-]1 ZINC000603152785 568065178 /nfs/dbraw/zinc/06/51/78/568065178.db2.gz FCSBPAFBGIKDRB-YHAQOWFVSA-N -1 1 356.373 2.374 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)n1 ZINC000603152785 568065179 /nfs/dbraw/zinc/06/51/79/568065179.db2.gz FCSBPAFBGIKDRB-YHAQOWFVSA-N -1 1 356.373 2.374 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccc(Br)c2)n[n-]1 ZINC000603160309 568069274 /nfs/dbraw/zinc/06/92/74/568069274.db2.gz DHBMDLNHAYNIFQ-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccc(Br)c2)[n-]1 ZINC000603160309 568069275 /nfs/dbraw/zinc/06/92/75/568069275.db2.gz DHBMDLNHAYNIFQ-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccc(Br)c2)n1 ZINC000603160309 568069276 /nfs/dbraw/zinc/06/92/76/568069276.db2.gz DHBMDLNHAYNIFQ-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cc(Br)cs2)n[n-]1 ZINC000603164829 568069908 /nfs/dbraw/zinc/06/99/08/568069908.db2.gz KXOMGMCDYLFIBT-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cc3c([nH]c2=O)CCC3)c(=O)[n-]1 ZINC000603365418 568091477 /nfs/dbraw/zinc/09/14/77/568091477.db2.gz AYNVWRDTWWMECO-UHFFFAOYSA-N -1 1 374.466 2.051 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)C[C@H](C)O1 ZINC000563114967 568220786 /nfs/dbraw/zinc/22/07/86/568220786.db2.gz RMTHOAVUKPOONK-IHETXDGRSA-N -1 1 374.481 2.269 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c(OC)n1 ZINC000643269198 568457787 /nfs/dbraw/zinc/45/77/87/568457787.db2.gz IFYHEPMAJRXXJP-AWEZNQCLSA-N -1 1 366.439 2.098 20 0 FEADMM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736298928 598840953 /nfs/dbraw/zinc/84/09/53/598840953.db2.gz RETQSTWOYRQHNW-JTQLQIEISA-N -1 1 359.386 2.146 20 0 FEADMM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736298928 598840955 /nfs/dbraw/zinc/84/09/55/598840955.db2.gz RETQSTWOYRQHNW-JTQLQIEISA-N -1 1 359.386 2.146 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000737301642 598930137 /nfs/dbraw/zinc/93/01/37/598930137.db2.gz PCOSPORXVRUNFR-UHFFFAOYSA-N -1 1 354.395 2.457 20 0 FEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1OC ZINC000737095818 598935122 /nfs/dbraw/zinc/93/51/22/598935122.db2.gz OQPVEODAGIXTBI-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1OC ZINC000737095818 598935123 /nfs/dbraw/zinc/93/51/23/598935123.db2.gz OQPVEODAGIXTBI-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1F ZINC000738380326 598936997 /nfs/dbraw/zinc/93/69/97/598936997.db2.gz BDULTFKCICNXCE-CQSZACIVSA-N -1 1 351.345 2.095 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1F ZINC000738380326 598936998 /nfs/dbraw/zinc/93/69/98/598936998.db2.gz BDULTFKCICNXCE-CQSZACIVSA-N -1 1 351.345 2.095 20 0 FEADMM Cc1nccc([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737497419 598962484 /nfs/dbraw/zinc/96/24/84/598962484.db2.gz CTNHGBXXZHPYDC-CYBMUJFWSA-N -1 1 373.424 2.292 20 0 FEADMM Cc1nccc([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737497419 598962485 /nfs/dbraw/zinc/96/24/85/598962485.db2.gz CTNHGBXXZHPYDC-CYBMUJFWSA-N -1 1 373.424 2.292 20 0 FEADMM CCc1nc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cs1 ZINC000736697880 598964561 /nfs/dbraw/zinc/96/45/61/598964561.db2.gz COUBCUJCLMCWJP-UHFFFAOYSA-N -1 1 352.427 2.483 20 0 FEADMM CCc1nc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cs1 ZINC000736697880 598964563 /nfs/dbraw/zinc/96/45/63/598964563.db2.gz COUBCUJCLMCWJP-UHFFFAOYSA-N -1 1 352.427 2.483 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736602327 598980158 /nfs/dbraw/zinc/98/01/58/598980158.db2.gz HWHXLRBBRZFBFO-UHFFFAOYSA-N -1 1 372.410 2.369 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736602327 598980159 /nfs/dbraw/zinc/98/01/59/598980159.db2.gz HWHXLRBBRZFBFO-UHFFFAOYSA-N -1 1 372.410 2.369 20 0 FEADMM COc1ccc2ccccc2c1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737119767 598987628 /nfs/dbraw/zinc/98/76/28/598987628.db2.gz FPMLXDPKLSGBTI-UHFFFAOYSA-N -1 1 360.377 2.354 20 0 FEADMM COc1ccc2ccccc2c1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737119767 598987630 /nfs/dbraw/zinc/98/76/30/598987630.db2.gz FPMLXDPKLSGBTI-UHFFFAOYSA-N -1 1 360.377 2.354 20 0 FEADMM O=C(NCc1nc2cc(Cl)ccc2s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738122939 598997638 /nfs/dbraw/zinc/99/76/38/598997638.db2.gz MOGSGNBTTUIFJB-UHFFFAOYSA-N -1 1 371.813 2.455 20 0 FEADMM O=C(NCc1nc2cc(Cl)ccc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738122939 598997639 /nfs/dbraw/zinc/99/76/39/598997639.db2.gz MOGSGNBTTUIFJB-UHFFFAOYSA-N -1 1 371.813 2.455 20 0 FEADMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051010 598997974 /nfs/dbraw/zinc/99/79/74/598997974.db2.gz WWKXWNHACUGKSA-YOEHRIQHSA-N -1 1 364.409 2.159 20 0 FEADMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051010 598997976 /nfs/dbraw/zinc/99/79/76/598997976.db2.gz WWKXWNHACUGKSA-YOEHRIQHSA-N -1 1 364.409 2.159 20 0 FEADMM Cc1ccc(-c2nsc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)s1 ZINC000737303789 599002342 /nfs/dbraw/zinc/00/23/42/599002342.db2.gz QBEWNZFWMVVUMR-UHFFFAOYSA-N -1 1 370.423 2.402 20 0 FEADMM Cc1ccc(-c2nsc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)s1 ZINC000737303789 599002343 /nfs/dbraw/zinc/00/23/43/599002343.db2.gz QBEWNZFWMVVUMR-UHFFFAOYSA-N -1 1 370.423 2.402 20 0 FEADMM COc1cc(F)cc2sc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)nc21 ZINC000737053296 599003274 /nfs/dbraw/zinc/00/32/74/599003274.db2.gz IQIXUHIFUXYRSB-UHFFFAOYSA-N -1 1 371.357 2.271 20 0 FEADMM COc1cc(F)cc2sc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)nc21 ZINC000737053296 599003276 /nfs/dbraw/zinc/00/32/76/599003276.db2.gz IQIXUHIFUXYRSB-UHFFFAOYSA-N -1 1 371.357 2.271 20 0 FEADMM O=C(OC[C@H]1CC(=O)N(c2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000738218929 599029169 /nfs/dbraw/zinc/02/91/69/599029169.db2.gz IYRAWBHCDDUNOI-NSHDSACASA-N -1 1 369.406 2.138 20 0 FEADMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736719892 599030631 /nfs/dbraw/zinc/03/06/31/599030631.db2.gz DVCZOKDIMNKELW-LLVKDONJSA-N -1 1 362.397 2.122 20 0 FEADMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736719892 599030632 /nfs/dbraw/zinc/03/06/32/599030632.db2.gz DVCZOKDIMNKELW-LLVKDONJSA-N -1 1 362.397 2.122 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000822491932 599046830 /nfs/dbraw/zinc/04/68/30/599046830.db2.gz KDDBFGSEXXPSBV-SNVBAGLBSA-N -1 1 363.429 2.203 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000822491932 599046833 /nfs/dbraw/zinc/04/68/33/599046833.db2.gz KDDBFGSEXXPSBV-SNVBAGLBSA-N -1 1 363.429 2.203 20 0 FEADMM CN(C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000821596902 599094103 /nfs/dbraw/zinc/09/41/03/599094103.db2.gz YAUGDYGCJIICGV-LBPRGKRZSA-N -1 1 359.434 2.097 20 0 FEADMM CN(C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000821596902 599094106 /nfs/dbraw/zinc/09/41/06/599094106.db2.gz YAUGDYGCJIICGV-LBPRGKRZSA-N -1 1 359.434 2.097 20 0 FEADMM O=C(N[C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)c([O-])c1 ZINC000629922191 676875539 /nfs/dbraw/zinc/87/55/39/676875539.db2.gz JAOWKNQKQMSRSN-LBPRGKRZSA-N -1 1 353.216 2.038 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820020971 599215167 /nfs/dbraw/zinc/21/51/67/599215167.db2.gz NRKAIHPKUPSSOQ-INIZCTEOSA-N -1 1 354.389 2.398 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820020971 599215170 /nfs/dbraw/zinc/21/51/70/599215170.db2.gz NRKAIHPKUPSSOQ-INIZCTEOSA-N -1 1 354.389 2.398 20 0 FEADMM O=C(Nc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738151344 599225770 /nfs/dbraw/zinc/22/57/70/599225770.db2.gz RTCTXMGKWJRHDB-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Nc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738151344 599225773 /nfs/dbraw/zinc/22/57/73/599225773.db2.gz RTCTXMGKWJRHDB-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(C(=O)[O-])CC2)cc1 ZINC000738859001 596920124 /nfs/dbraw/zinc/92/01/24/596920124.db2.gz AQOJZGMWYUMOIM-ZDUSSCGKSA-N -1 1 362.426 2.375 20 0 FEADMM O=C([O-])Cc1cccc(NC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000738625884 597182973 /nfs/dbraw/zinc/18/29/73/597182973.db2.gz OHKOHJYBYAEHBZ-UHFFFAOYSA-N -1 1 353.422 2.494 20 0 FEADMM O=C([O-])CSCC(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000821536268 597649676 /nfs/dbraw/zinc/64/96/76/597649676.db2.gz ARFDEGZYMWAFTE-UHFFFAOYSA-N -1 1 359.201 2.186 20 0 FEADMM Cc1ccc(NC(=O)CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822242209 607326956 /nfs/dbraw/zinc/32/69/56/607326956.db2.gz DUULOPWTAFYFGK-UHFFFAOYSA-N -1 1 357.805 2.298 20 0 FEADMM Cc1ccc(NC(=O)CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822242209 607326957 /nfs/dbraw/zinc/32/69/57/607326957.db2.gz DUULOPWTAFYFGK-UHFFFAOYSA-N -1 1 357.805 2.298 20 0 FEADMM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc(C)c1Cl ZINC000737278674 598265585 /nfs/dbraw/zinc/26/55/85/598265585.db2.gz CMZWZTIZEFRFST-UHFFFAOYSA-N -1 1 365.802 2.300 20 0 FEADMM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc(C)c1Cl ZINC000737278674 598265586 /nfs/dbraw/zinc/26/55/86/598265586.db2.gz CMZWZTIZEFRFST-UHFFFAOYSA-N -1 1 365.802 2.300 20 0 FEADMM CO[C@@H](C)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736958948 598333313 /nfs/dbraw/zinc/33/33/13/598333313.db2.gz YWCCPFROANHVHI-VIFPVBQESA-N -1 1 362.459 2.016 20 0 FEADMM CCOc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1OCC ZINC000736644241 598336326 /nfs/dbraw/zinc/33/63/26/598336326.db2.gz VEODHLCYELKSRS-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM CCOc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1OCC ZINC000736644241 598336328 /nfs/dbraw/zinc/33/63/28/598336328.db2.gz VEODHLCYELKSRS-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM O=C(Nc1cccc(CNc2nccnc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000738185559 598347522 /nfs/dbraw/zinc/34/75/22/598347522.db2.gz ZLNHMOIVZDPFHD-UHFFFAOYSA-N -1 1 364.413 2.398 20 0 FEADMM O=C(Nc1cccc(CNc2nccnc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000738185559 598347524 /nfs/dbraw/zinc/34/75/24/598347524.db2.gz ZLNHMOIVZDPFHD-UHFFFAOYSA-N -1 1 364.413 2.398 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736291572 598350316 /nfs/dbraw/zinc/35/03/16/598350316.db2.gz FWSFDTBOFZFKGK-TXEJJXNPSA-N -1 1 352.402 2.014 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736291572 598350317 /nfs/dbraw/zinc/35/03/17/598350317.db2.gz FWSFDTBOFZFKGK-TXEJJXNPSA-N -1 1 352.402 2.014 20 0 FEADMM Brc1cccc([C@@H]2C[C@@H]2Nc2nccnc2-c2nnn[n-]2)c1 ZINC000735368494 598353766 /nfs/dbraw/zinc/35/37/66/598353766.db2.gz MQXSNPRFMAWZEN-QWRGUYRKSA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@@H]2C[C@@H]2Nc2nccnc2-c2nn[n-]n2)c1 ZINC000735368494 598353767 /nfs/dbraw/zinc/35/37/67/598353767.db2.gz MQXSNPRFMAWZEN-QWRGUYRKSA-N -1 1 358.203 2.387 20 0 FEADMM CCc1nn(CC(=O)c2cc(C)sc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705767 598379409 /nfs/dbraw/zinc/37/94/09/598379409.db2.gz OQZPRRDUSPEARR-UHFFFAOYSA-N -1 1 372.454 2.109 20 0 FEADMM CC(C)c1nnc2n1C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000735952605 598671629 /nfs/dbraw/zinc/67/16/29/598671629.db2.gz IFYVDYLOHVEIPN-SSDOTTSWSA-N -1 1 365.854 2.118 20 0 FEADMM CC(C)c1nnc2n1C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000735952605 598671631 /nfs/dbraw/zinc/67/16/31/598671631.db2.gz IFYVDYLOHVEIPN-SSDOTTSWSA-N -1 1 365.854 2.118 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000736289803 598686265 /nfs/dbraw/zinc/68/62/65/598686265.db2.gz NRPJNTCAZDTYMM-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM CC[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736406552 598695506 /nfs/dbraw/zinc/69/55/06/598695506.db2.gz APIIFBSZAXSYFD-YPMHNXCESA-N -1 1 370.413 2.198 20 0 FEADMM CC[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736406552 598695508 /nfs/dbraw/zinc/69/55/08/598695508.db2.gz APIIFBSZAXSYFD-YPMHNXCESA-N -1 1 370.413 2.198 20 0 FEADMM CCCn1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1=O ZINC000808081327 674440543 /nfs/dbraw/zinc/44/05/43/674440543.db2.gz VIBMYFCOODWVFR-UHFFFAOYSA-N -1 1 361.345 2.473 20 0 FEADMM CCCCOC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736461085 598720507 /nfs/dbraw/zinc/72/05/07/598720507.db2.gz RSCDFFGYLVDQQQ-UHFFFAOYSA-N -1 1 361.789 2.178 20 0 FEADMM C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820686062 599326884 /nfs/dbraw/zinc/32/68/84/599326884.db2.gz WRYONQHNFXUEMD-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](c2ccccc2)C1 ZINC000823605767 599341543 /nfs/dbraw/zinc/34/15/43/599341543.db2.gz AVWLSPNBZDECDL-ZDUSSCGKSA-N -1 1 373.413 2.184 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](c2ccccc2)C1 ZINC000823605767 599341545 /nfs/dbraw/zinc/34/15/45/599341545.db2.gz AVWLSPNBZDECDL-ZDUSSCGKSA-N -1 1 373.413 2.184 20 0 FEADMM O=C(Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1)[C@H]1CCCO1 ZINC000823350519 599413878 /nfs/dbraw/zinc/41/38/78/599413878.db2.gz QEODRSHRPPCFBM-OAHLLOKOSA-N -1 1 354.370 2.189 20 0 FEADMM O=C(Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1)[C@H]1CCCO1 ZINC000823350519 599413880 /nfs/dbraw/zinc/41/38/80/599413880.db2.gz QEODRSHRPPCFBM-OAHLLOKOSA-N -1 1 354.370 2.189 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(F)F)o1 ZINC000557709607 674462013 /nfs/dbraw/zinc/46/20/13/674462013.db2.gz QIBUMYGQTLXHJQ-SECBINFHSA-N -1 1 350.387 2.226 20 0 FEADMM CC(=O)NC1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000819804101 599515466 /nfs/dbraw/zinc/51/54/66/599515466.db2.gz UQFGQSUZYBIEQI-UHFFFAOYSA-N -1 1 351.414 2.274 20 0 FEADMM CC(=O)NC1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000819804101 599515467 /nfs/dbraw/zinc/51/54/67/599515467.db2.gz UQFGQSUZYBIEQI-UHFFFAOYSA-N -1 1 351.414 2.274 20 0 FEADMM Cc1nn(-c2ccccc2)c(Cn2ccc3occc3c2=O)c1-c1nn[n-]n1 ZINC000737502847 599522752 /nfs/dbraw/zinc/52/27/52/599522752.db2.gz CDWGXNOYCTZLKY-UHFFFAOYSA-N -1 1 373.376 2.317 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000737188719 599573522 /nfs/dbraw/zinc/57/35/22/599573522.db2.gz DSQYITGALQDLSB-MFKMUULPSA-N -1 1 356.455 2.486 20 0 FEADMM CC1(C)CN(C(=O)CCSCC(=O)[O-])CCN1Cc1ccccc1 ZINC000736736062 599758959 /nfs/dbraw/zinc/75/89/59/599758959.db2.gz UQGCKPWGKKBZNQ-UHFFFAOYSA-N -1 1 350.484 2.317 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCSc1ccc(Cl)cc1 ZINC000320667158 599778266 /nfs/dbraw/zinc/77/82/66/599778266.db2.gz MLYORWIGDAFJGF-ZDUSSCGKSA-N -1 1 353.831 2.357 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)c(C(=O)[O-])s1 ZINC000737682254 599814332 /nfs/dbraw/zinc/81/43/32/599814332.db2.gz YCYJHXJVWLGXET-UHFFFAOYSA-N -1 1 371.392 2.042 20 0 FEADMM O=C([O-])[C@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000739248167 599818363 /nfs/dbraw/zinc/81/83/63/599818363.db2.gz BBFUMSMBOGDPJF-QGZVFWFLSA-N -1 1 367.361 2.052 20 0 FEADMM C[C@@H](OC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736653218 599884092 /nfs/dbraw/zinc/88/40/92/599884092.db2.gz WBVPRRYILOMDMV-VHSXEESVSA-N -1 1 371.349 2.277 20 0 FEADMM CC(C)(NCC(=O)NCc1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC000736339370 599927014 /nfs/dbraw/zinc/92/70/14/599927014.db2.gz GMHTXTNHTAQXRC-UHFFFAOYSA-N -1 1 356.422 2.335 20 0 FEADMM Cc1nc(C[C@@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)no1 ZINC000738851622 599958236 /nfs/dbraw/zinc/95/82/36/599958236.db2.gz OZYRCRPFWQLVHA-ZDUSSCGKSA-N -1 1 355.398 2.338 20 0 FEADMM CN1CCN(c2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)nc2)CC1 ZINC000737529939 600063620 /nfs/dbraw/zinc/06/36/20/600063620.db2.gz OJEUULGOILQNAJ-UHFFFAOYSA-N -1 1 368.437 2.103 20 0 FEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000737358306 600102634 /nfs/dbraw/zinc/10/26/34/600102634.db2.gz LLBMIENVJNSOHT-IEBWSBKVSA-N -1 1 372.440 2.358 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736218297 600132548 /nfs/dbraw/zinc/13/25/48/600132548.db2.gz MPWCLKFLYZZMSZ-NXEZZACHSA-N -1 1 356.325 2.132 20 0 FEADMM O=C([O-])C1(NCC(=O)Nc2ccccc2N2CCCC2=O)CCCCC1 ZINC000739309950 600150989 /nfs/dbraw/zinc/15/09/89/600150989.db2.gz WSWZGWKARBIKOP-UHFFFAOYSA-N -1 1 359.426 2.129 20 0 FEADMM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000740289910 600177196 /nfs/dbraw/zinc/17/71/96/600177196.db2.gz OJDFDHAWEQFNFH-UHFFFAOYSA-N -1 1 350.381 2.032 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC(C)(C)OCC1(C)C ZINC000737864968 600178811 /nfs/dbraw/zinc/17/88/11/600178811.db2.gz HUANRHWUECDIBY-CQSZACIVSA-N -1 1 367.442 2.023 20 0 FEADMM Cc1[nH]nc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1Br ZINC000738820645 600194442 /nfs/dbraw/zinc/19/44/42/600194442.db2.gz HZUVETQEWKANCP-GFCCVEGCSA-N -1 1 352.188 2.379 20 0 FEADMM CC(C)(C)CCN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000736248131 600226664 /nfs/dbraw/zinc/22/66/64/600226664.db2.gz AOOBDDUXXCFKNO-UHFFFAOYSA-N -1 1 368.499 2.268 20 0 FEADMM O=S(=O)([N-]Cc1noc2c1CCCC2)c1ccc(Br)o1 ZINC000558089743 674482800 /nfs/dbraw/zinc/48/28/00/674482800.db2.gz RYGRJCCWANHSRR-UHFFFAOYSA-N -1 1 361.217 2.387 20 0 FEADMM Cc1cccc(OCCCNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738738243 600303736 /nfs/dbraw/zinc/30/37/36/600303736.db2.gz ZJVJSGDIGPYJIT-QGZVFWFLSA-N -1 1 360.454 2.067 20 0 FEADMM COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CCCC(=O)[O-])CC1 ZINC000584447852 600316933 /nfs/dbraw/zinc/31/69/33/600316933.db2.gz PCDSHVOQSIFQGI-INIZCTEOSA-N -1 1 354.834 2.037 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCN1CCOC ZINC000736941428 600339207 /nfs/dbraw/zinc/33/92/07/600339207.db2.gz WQSDMSFFRUPVCT-CYBMUJFWSA-N -1 1 368.409 2.490 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])s1)N(C)Cc1ccccc1 ZINC000390658550 600345401 /nfs/dbraw/zinc/34/54/01/600345401.db2.gz RPEDVMGAGVQGDH-GFCCVEGCSA-N -1 1 368.480 2.245 20 0 FEADMM COc1ccc(CNC(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)cc1C(=O)[O-] ZINC000738001588 600359216 /nfs/dbraw/zinc/35/92/16/600359216.db2.gz HCKHELUIUXFFCT-ZFWWWQNUSA-N -1 1 361.442 2.162 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739538342 600425140 /nfs/dbraw/zinc/42/51/40/600425140.db2.gz IASGZZBHPNCOFS-HZSPNIEDSA-N -1 1 356.344 2.117 20 0 FEADMM CCO[C@@H]1CCCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)C1 ZINC000737166345 600435078 /nfs/dbraw/zinc/43/50/78/600435078.db2.gz XHZHKXURXSYOFT-QAPCUYQASA-N -1 1 373.453 2.222 20 0 FEADMM CCN(CC)CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000737086263 600496306 /nfs/dbraw/zinc/49/63/06/600496306.db2.gz IVUIRVVINNEVHE-MRXNPFEDSA-N -1 1 361.442 2.046 20 0 FEADMM O=C([O-])c1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000392057939 600513515 /nfs/dbraw/zinc/51/35/15/600513515.db2.gz VGLIJICIHOFSPR-VXGBXAGGSA-N -1 1 353.806 2.023 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000736719566 600514518 /nfs/dbraw/zinc/51/45/18/600514518.db2.gz XNEYNWGPIQHAGL-WMLDXEAASA-N -1 1 366.433 2.301 20 0 FEADMM C[C@@H](NC(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000736641469 600515855 /nfs/dbraw/zinc/51/58/55/600515855.db2.gz RFGOPCJNJQCVAD-CZUORRHYSA-N -1 1 368.861 2.473 20 0 FEADMM CCN(C)[C@H](C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC000737069432 600581367 /nfs/dbraw/zinc/58/13/67/600581367.db2.gz UBDMZMBUEQGPBY-HKUYNNGSSA-N -1 1 370.449 2.445 20 0 FEADMM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000736616815 600595178 /nfs/dbraw/zinc/59/51/78/600595178.db2.gz MFISOCBDQVBDKP-FMKPAKJESA-N -1 1 350.484 2.220 20 0 FEADMM CN(Cc1c2ccccc2sc1C(=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000737454400 600720007 /nfs/dbraw/zinc/72/00/07/600720007.db2.gz PAFBRXHTDVXLKJ-LLVKDONJSA-N -1 1 353.465 2.466 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000826870965 600721065 /nfs/dbraw/zinc/72/10/65/600721065.db2.gz IIKCICWMAVDKGR-UHFFFAOYSA-N -1 1 360.501 2.187 20 0 FEADMM CCn1ncc2c1CCC[C@@H]2N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000830450624 600759628 /nfs/dbraw/zinc/75/96/28/600759628.db2.gz DPBVWMAWYJOKDS-GUYCJALGSA-N -1 1 370.453 2.273 20 0 FEADMM CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000828424019 600792448 /nfs/dbraw/zinc/79/24/48/600792448.db2.gz NWRSZPLXNUELIG-IINYFYTJSA-N -1 1 360.863 2.045 20 0 FEADMM CC(=O)NCC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000825876467 600819159 /nfs/dbraw/zinc/81/91/59/600819159.db2.gz YKWJGIOPADSLOL-UHFFFAOYSA-N -1 1 354.834 2.265 20 0 FEADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CSc2nnc(C)[nH]2)cc1 ZINC000832777154 600838303 /nfs/dbraw/zinc/83/83/03/600838303.db2.gz FHWTZBZAZQCPKZ-GFCCVEGCSA-N -1 1 366.468 2.259 20 0 FEADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CSc2nc(C)n[nH]2)cc1 ZINC000832777154 600838305 /nfs/dbraw/zinc/83/83/05/600838305.db2.gz FHWTZBZAZQCPKZ-GFCCVEGCSA-N -1 1 366.468 2.259 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)ccc1C(=O)[O-] ZINC000327682133 600977824 /nfs/dbraw/zinc/97/78/24/600977824.db2.gz NXQVVZFNROOWAL-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM Cc1nccn1-c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000325037876 600977884 /nfs/dbraw/zinc/97/78/84/600977884.db2.gz LIMJRYXMLWFJGF-UHFFFAOYSA-N -1 1 364.408 2.136 20 0 FEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](C(=O)[O-])C1 ZINC000736218298 601032704 /nfs/dbraw/zinc/03/27/04/601032704.db2.gz MPWCLKFLYZZMSZ-UWVGGRQHSA-N -1 1 356.325 2.132 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000630222648 601086066 /nfs/dbraw/zinc/08/60/66/601086066.db2.gz HADMZTQOBCDCHG-HNNXBMFYSA-N -1 1 371.437 2.282 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1 ZINC000827362560 601105726 /nfs/dbraw/zinc/10/57/26/601105726.db2.gz QIDYJUZJZNSHEC-GFCCVEGCSA-N -1 1 373.375 2.125 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000827355644 601107174 /nfs/dbraw/zinc/10/71/74/601107174.db2.gz LMRDSJZTXKLUIH-KTRBRXNASA-N -1 1 359.451 2.317 20 0 FEADMM CCCNC(=O)C1(NCC(=O)Nc2ccccc2C(=O)[O-])CCCCC1 ZINC000829508219 601132749 /nfs/dbraw/zinc/13/27/49/601132749.db2.gz PKWCKVYLGBMWIG-UHFFFAOYSA-N -1 1 361.442 2.142 20 0 FEADMM CCN(C(=O)CN[C@@](C)(COC)CC(=O)[O-])c1nc2ccccc2s1 ZINC000829597827 601134996 /nfs/dbraw/zinc/13/49/96/601134996.db2.gz VMPVPEWZCJLDDT-QGZVFWFLSA-N -1 1 365.455 2.119 20 0 FEADMM CN(CCNC(=O)c1ccc(OCC(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000659760971 601147434 /nfs/dbraw/zinc/14/74/34/601147434.db2.gz VXUUKVMXEGTASV-UHFFFAOYSA-N -1 1 360.385 2.151 20 0 FEADMM Cc1nc([C@H]2CN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000832992041 601197254 /nfs/dbraw/zinc/19/72/54/601197254.db2.gz VMYPKPZGXGNMNS-GFCCVEGCSA-N -1 1 365.777 2.070 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000828265874 601219380 /nfs/dbraw/zinc/21/93/80/601219380.db2.gz LMXSWFISUXFUNV-AEOIHIIDSA-N -1 1 366.483 2.183 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829119568 601244302 /nfs/dbraw/zinc/24/43/02/601244302.db2.gz SHWVHTDNJYGKOT-CLOOOTJHSA-N -1 1 366.483 2.327 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1C ZINC000832867062 601251724 /nfs/dbraw/zinc/25/17/24/601251724.db2.gz JNKDPZJERXZCSO-IUODEOHRSA-N -1 1 354.472 2.105 20 0 FEADMM O=C([O-])COc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000833254390 601276363 /nfs/dbraw/zinc/27/63/63/601276363.db2.gz WOENKQWMWVAJBK-UHFFFAOYSA-N -1 1 357.438 2.021 20 0 FEADMM CC[C@](NC(=O)CSc1n[nH]c(=S)s1)(C(=O)[O-])c1ccccc1 ZINC000828939231 601283645 /nfs/dbraw/zinc/28/36/45/601283645.db2.gz DFTSNDZMJYSOLD-CQSZACIVSA-N -1 1 369.493 2.425 20 0 FEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000833296978 601312356 /nfs/dbraw/zinc/31/23/56/601312356.db2.gz BJOAPSQRJBQFHX-UHFFFAOYSA-N -1 1 367.833 2.367 20 0 FEADMM COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000831125320 601319223 /nfs/dbraw/zinc/31/92/23/601319223.db2.gz ZQHTWPQKNARGPP-DAXSKMNVSA-N -1 1 367.404 2.433 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@H]1c1ccccn1 ZINC000831916751 601360685 /nfs/dbraw/zinc/36/06/85/601360685.db2.gz BMCBUZGTXSQKQR-WBVHZDCISA-N -1 1 372.421 2.365 20 0 FEADMM CC(C)CNC(=O)C1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000826886520 601396817 /nfs/dbraw/zinc/39/68/17/601396817.db2.gz YDKZWYRDSSFUSV-UHFFFAOYSA-N -1 1 358.442 2.176 20 0 FEADMM C[C@@H]1CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C[C@@H]1C(=O)[O-] ZINC000828433388 601501531 /nfs/dbraw/zinc/50/15/31/601501531.db2.gz UHTAONCTQQVFEN-IPYPFGDCSA-N -1 1 371.393 2.203 20 0 FEADMM Cc1csc2nc(CN3CCc4ccccc4[C@H]3C(=O)[O-])cc(=O)n12 ZINC000326750220 601544193 /nfs/dbraw/zinc/54/41/93/601544193.db2.gz GIWAYCTVWDNQQH-INIZCTEOSA-N -1 1 355.419 2.248 20 0 FEADMM O=C([O-])[C@H]1c2ccccc2CCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000662232737 601544586 /nfs/dbraw/zinc/54/45/86/601544586.db2.gz JTZODZSELDRANU-CZUORRHYSA-N -1 1 370.371 2.471 20 0 FEADMM Cc1cc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832861108 601564664 /nfs/dbraw/zinc/56/46/64/601564664.db2.gz VWRORQOMPBORSX-DOTOQJQBSA-N -1 1 360.454 2.466 20 0 FEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000826496178 607528523 /nfs/dbraw/zinc/52/85/23/607528523.db2.gz NPMNNQLFCNIXOP-OAQYLSRUSA-N -1 1 364.228 2.332 20 0 FEADMM Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(C(=O)[O-])n(C)c3)cc2)co1 ZINC000832991414 601784779 /nfs/dbraw/zinc/78/47/79/601784779.db2.gz RTCJLTQDMQXRKX-UHFFFAOYSA-N -1 1 361.379 2.488 20 0 FEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826496178 607528522 /nfs/dbraw/zinc/52/85/22/607528522.db2.gz NPMNNQLFCNIXOP-OAQYLSRUSA-N -1 1 364.228 2.332 20 0 FEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000826496459 607528321 /nfs/dbraw/zinc/52/83/21/607528321.db2.gz WWZMBIHYSYNJFI-OAQYLSRUSA-N -1 1 364.228 2.332 20 0 FEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000826496459 607528322 /nfs/dbraw/zinc/52/83/22/607528322.db2.gz WWZMBIHYSYNJFI-OAQYLSRUSA-N -1 1 364.228 2.332 20 0 FEADMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000818864390 601825626 /nfs/dbraw/zinc/82/56/26/601825626.db2.gz XIGRQSRYSBFHNM-KRWDZBQOSA-N -1 1 358.442 2.435 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142803 601828768 /nfs/dbraw/zinc/82/87/68/601828768.db2.gz RASPFDINHMYCGH-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM CC1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000236706617 601835326 /nfs/dbraw/zinc/83/53/26/601835326.db2.gz QMTJQTBPFVHJPM-UHFFFAOYSA-N -1 1 360.863 2.048 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000662217611 601842884 /nfs/dbraw/zinc/84/28/84/601842884.db2.gz HEUHZLALZMVYTA-UHFFFAOYSA-N -1 1 370.396 2.481 20 0 FEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C(=O)O1 ZINC000809382811 674492358 /nfs/dbraw/zinc/49/23/58/674492358.db2.gz NDMVUFJVBTWZQW-MUWHJKNJSA-N -1 1 357.737 2.341 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000662218129 601844932 /nfs/dbraw/zinc/84/49/32/601844932.db2.gz MOLMJTAWLBDZIY-CYBMUJFWSA-N -1 1 350.381 2.364 20 0 FEADMM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CCC(=O)NCC(=O)[O-] ZINC000833016647 601908886 /nfs/dbraw/zinc/90/88/86/601908886.db2.gz ZLZPTRPPMCUIKI-ZDUSSCGKSA-N -1 1 370.881 2.229 20 0 FEADMM CCCSc1nsc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC000829550554 601918501 /nfs/dbraw/zinc/91/85/01/601918501.db2.gz RTYUMBDKJXGXDK-JTQLQIEISA-N -1 1 373.504 2.053 20 0 FEADMM C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000826009073 601919316 /nfs/dbraw/zinc/91/93/16/601919316.db2.gz QSHWVLGUIWWYMB-BXUZGUMPSA-N -1 1 356.875 2.237 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739059046 601939262 /nfs/dbraw/zinc/93/92/62/601939262.db2.gz QULJYDXAKOFFRJ-RYUDHWBXSA-N -1 1 355.385 2.074 20 0 FEADMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2cccs2)c(F)c1 ZINC000547544332 601981282 /nfs/dbraw/zinc/98/12/82/601981282.db2.gz QNIBTFWKHZCOGT-NSHDSACASA-N -1 1 358.347 2.002 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000827369268 602024982 /nfs/dbraw/zinc/02/49/82/602024982.db2.gz SWBHSEWUEPTAHS-CYBMUJFWSA-N -1 1 353.394 2.048 20 0 FEADMM O=C([O-])N(CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000740437954 602074667 /nfs/dbraw/zinc/07/46/67/602074667.db2.gz WPYLCIYSYAPNQD-OAHLLOKOSA-N -1 1 364.446 2.248 20 0 FEADMM COc1cc(-c2noc(-c3cnn(C)n3)n2)cc(Br)c1[O-] ZINC000809471904 674494588 /nfs/dbraw/zinc/49/45/88/674494588.db2.gz WOFXPSKUWUMSPI-UHFFFAOYSA-N -1 1 352.148 2.009 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000574258133 602086563 /nfs/dbraw/zinc/08/65/63/602086563.db2.gz CBVPQGZDDPUNFE-YOEHRIQHSA-N -1 1 353.850 2.449 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCCN1C(=O)[O-])c1ccco1 ZINC000739409425 602143184 /nfs/dbraw/zinc/14/31/84/602143184.db2.gz XTKIZAVIQIPAKT-HUUCEWRRSA-N -1 1 366.462 2.494 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000739407940 602144548 /nfs/dbraw/zinc/14/45/48/602144548.db2.gz NZZKUXGBHBPMLP-CABCVRRESA-N -1 1 366.462 2.352 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)N2CCCC2)o1 ZINC000740116763 602186100 /nfs/dbraw/zinc/18/61/00/602186100.db2.gz GAHMOIDFGDMPJV-LSDHHAIUSA-N -1 1 364.446 2.024 20 0 FEADMM O=C([O-])NCCCNC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000740650494 602404771 /nfs/dbraw/zinc/40/47/71/602404771.db2.gz UFGRFXOMDRXQEL-UHFFFAOYSA-N -1 1 370.453 2.325 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000739016213 602463507 /nfs/dbraw/zinc/46/35/07/602463507.db2.gz OGBCKIXHXCTVKE-OLZOCXBDSA-N -1 1 362.430 2.091 20 0 FEADMM CC(C)Oc1cccc(CNC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000738867366 602527447 /nfs/dbraw/zinc/52/74/47/602527447.db2.gz XLYKMSFONRETAH-MRXNPFEDSA-N -1 1 363.458 2.022 20 0 FEADMM C[C@@H](NC(=O)[C@@H](C)N1CCC(N(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737680433 602531488 /nfs/dbraw/zinc/53/14/88/602531488.db2.gz JYEISQLABJYPGP-CHWSQXEVSA-N -1 1 351.422 2.466 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000739609866 602563248 /nfs/dbraw/zinc/56/32/48/602563248.db2.gz XXNISCIUCLWFRZ-HUUCEWRRSA-N -1 1 361.467 2.346 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)c1ccccc1F ZINC000830845900 677064714 /nfs/dbraw/zinc/06/47/14/677064714.db2.gz UJBFLFRUGNJHET-LBPRGKRZSA-N -1 1 351.346 2.005 20 0 FEADMM CS(=O)(=O)CCOc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000809648577 674503179 /nfs/dbraw/zinc/50/31/79/674503179.db2.gz ZXSOIEHGCZVMGK-UHFFFAOYSA-N -1 1 371.361 2.346 20 0 FEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493377 607575823 /nfs/dbraw/zinc/57/58/23/607575823.db2.gz HXJVNIAKTXUCTN-UHFFFAOYSA-N -1 1 360.370 2.262 20 0 FEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493377 607575824 /nfs/dbraw/zinc/57/58/24/607575824.db2.gz HXJVNIAKTXUCTN-UHFFFAOYSA-N -1 1 360.370 2.262 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCN1C(=O)[O-])c1ccco1 ZINC000739405775 602612973 /nfs/dbraw/zinc/61/29/73/602612973.db2.gz CYBPMZVJWHMFMX-UONOGXRCSA-N -1 1 352.435 2.104 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)c1ccco1 ZINC000739407783 602625120 /nfs/dbraw/zinc/62/51/20/602625120.db2.gz LPSKFIYRJPNQDK-CABCVRRESA-N -1 1 366.462 2.304 20 0 FEADMM C[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)N1CCc2ccccc2C1 ZINC000738938333 602697719 /nfs/dbraw/zinc/69/77/19/602697719.db2.gz COGAMWBVFCFIMZ-LBPRGKRZSA-N -1 1 374.466 2.087 20 0 FEADMM CN(C)[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1cccs1 ZINC000739609290 602706186 /nfs/dbraw/zinc/70/61/86/602706186.db2.gz URRUTRZHVSTWCL-SNVBAGLBSA-N -1 1 354.457 2.005 20 0 FEADMM Cc1[nH]ncc1CCCNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000740032656 602710146 /nfs/dbraw/zinc/71/01/46/602710146.db2.gz VPKPTUJZWGABEO-UHFFFAOYSA-N -1 1 359.430 2.197 20 0 FEADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000738909018 602735775 /nfs/dbraw/zinc/73/57/75/602735775.db2.gz CQTGFNXQHRFDLL-AWEZNQCLSA-N -1 1 370.453 2.295 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)N2CCCC2)o1 ZINC000740119580 602749116 /nfs/dbraw/zinc/74/91/16/602749116.db2.gz XHZCYRRRFSVJAG-ZFWWWQNUSA-N -1 1 364.446 2.119 20 0 FEADMM CN(C)Cc1cc(CNC(=O)c2csc(CNC(=O)[O-])n2)ccc1F ZINC000739610037 602762459 /nfs/dbraw/zinc/76/24/59/602762459.db2.gz IYIWRTQLOZLZRG-UHFFFAOYSA-N -1 1 366.418 2.041 20 0 FEADMM O=S(=O)(NCCCC1CCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491110 607584846 /nfs/dbraw/zinc/58/48/46/607584846.db2.gz UEDHXXYXRHZXJB-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824458730 607585004 /nfs/dbraw/zinc/58/50/04/607585004.db2.gz YJMCQWHCOWDERQ-SECBINFHSA-N -1 1 367.818 2.023 20 0 FEADMM C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824458730 607585006 /nfs/dbraw/zinc/58/50/06/607585006.db2.gz YJMCQWHCOWDERQ-SECBINFHSA-N -1 1 367.818 2.023 20 0 FEADMM CCCCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825282144 607585322 /nfs/dbraw/zinc/58/53/22/607585322.db2.gz OJVVNRGBTULEAU-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM O=S(=O)(NCc1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492177 607586526 /nfs/dbraw/zinc/58/65/26/607586526.db2.gz WRNBCVGRHCXUIF-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM O=S(=O)(NCc1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492177 607586527 /nfs/dbraw/zinc/58/65/27/607586527.db2.gz WRNBCVGRHCXUIF-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM O=S(=O)(NCCc1ccsc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491567 607586545 /nfs/dbraw/zinc/58/65/45/607586545.db2.gz POFMEVAHRPKRQN-UHFFFAOYSA-N -1 1 369.859 2.103 20 0 FEADMM O=S(=O)(NCCc1ccsc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491567 607586547 /nfs/dbraw/zinc/58/65/47/607586547.db2.gz POFMEVAHRPKRQN-UHFFFAOYSA-N -1 1 369.859 2.103 20 0 FEADMM C[C@@H]1CN(C[C@@H](O)COCc2ccccc2Cl)C[C@@H](C)N1C(=O)[O-] ZINC000739178839 602873684 /nfs/dbraw/zinc/87/36/84/602873684.db2.gz KPIFRUSKWSAUFE-UMVBOHGHSA-N -1 1 356.850 2.290 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000739967144 602909471 /nfs/dbraw/zinc/90/94/71/602909471.db2.gz GCNVVOGWFGDNFQ-INIZCTEOSA-N -1 1 367.365 2.223 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739604740 602960747 /nfs/dbraw/zinc/96/07/47/602960747.db2.gz ACHXOSPJUJTHMF-HZPDHXFCSA-N -1 1 366.437 2.260 20 0 FEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000739194658 602994482 /nfs/dbraw/zinc/99/44/82/602994482.db2.gz BJXXMYMWLRTJAL-QAPCUYQASA-N -1 1 374.485 2.265 20 0 FEADMM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825147695 607600595 /nfs/dbraw/zinc/60/05/95/607600595.db2.gz LMUCMKKCIRBOJQ-AWEZNQCLSA-N -1 1 361.402 2.435 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000740117245 603083099 /nfs/dbraw/zinc/08/30/99/603083099.db2.gz JACITVPUVJPTJV-CABCVRRESA-N -1 1 364.446 2.070 20 0 FEADMM O=C([O-])N[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000832140119 603142501 /nfs/dbraw/zinc/14/25/01/603142501.db2.gz GZJANPSGHZWZHC-ZDUSSCGKSA-N -1 1 374.340 2.391 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000737370185 603186420 /nfs/dbraw/zinc/18/64/20/603186420.db2.gz GGFBFYXPXSTEHY-UHFFFAOYSA-N -1 1 356.382 2.189 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)o1 ZINC000832690559 603326989 /nfs/dbraw/zinc/32/69/89/603326989.db2.gz MDAHWNCJNKSFKU-UHFFFAOYSA-N -1 1 367.471 2.139 20 0 FEADMM O=C([O-])Nc1ccc(CNCC(=O)Nc2cccc3cccnc32)cn1 ZINC000832841985 603549128 /nfs/dbraw/zinc/54/91/28/603549128.db2.gz LIZSRQILUCMSDP-UHFFFAOYSA-N -1 1 351.366 2.448 20 0 FEADMM COc1ccc(CN2CC[C@H](NCc3ccc(NC(=O)[O-])nc3)C2=O)cc1 ZINC000829363140 603555460 /nfs/dbraw/zinc/55/54/60/603555460.db2.gz RSDXIOKJXNBVME-INIZCTEOSA-N -1 1 370.409 2.071 20 0 FEADMM CC(C)[C@H](CCN(C)C(=O)CSc1n[nH]c(=S)s1)NC(=O)[O-] ZINC000824080179 603566912 /nfs/dbraw/zinc/56/69/12/603566912.db2.gz XMMRJAPRONCNFB-QMMMGPOBSA-N -1 1 364.518 2.060 20 0 FEADMM O=C([O-])N[C@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccccc1 ZINC000832127329 603640905 /nfs/dbraw/zinc/64/09/05/603640905.db2.gz FGTOMYYMEPFIJJ-MRXNPFEDSA-N -1 1 357.414 2.308 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000830257667 603644303 /nfs/dbraw/zinc/64/43/03/603644303.db2.gz WDPZJGBDMPXMEV-CABCVRRESA-N -1 1 364.446 2.119 20 0 FEADMM CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825192366 607642048 /nfs/dbraw/zinc/64/20/48/607642048.db2.gz GPWZYNURGRKKAB-PWSUYJOCSA-N -1 1 353.423 2.253 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-])c1ccsc1 ZINC000827994033 603688800 /nfs/dbraw/zinc/68/88/00/603688800.db2.gz GSYOFRGGNXJCNB-VHDGCEQUSA-N -1 1 368.503 2.476 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1)C(=O)[O-] ZINC000828245142 603751151 /nfs/dbraw/zinc/75/11/51/603751151.db2.gz DHFKTKUPCZWISH-ROUUACIJSA-N -1 1 359.470 2.499 20 0 FEADMM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000831895962 603815922 /nfs/dbraw/zinc/81/59/22/603815922.db2.gz RLWDDPNCNACQRR-WBMJQRKESA-N -1 1 355.435 2.093 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000824993289 607654439 /nfs/dbraw/zinc/65/44/39/607654439.db2.gz PZXVLSKIRZCBND-BZNIZROVSA-N -1 1 373.413 2.388 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000824993289 607654441 /nfs/dbraw/zinc/65/44/41/607654441.db2.gz PZXVLSKIRZCBND-BZNIZROVSA-N -1 1 373.413 2.388 20 0 FEADMM C[C@@H](N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C1(C)CC1 ZINC000824465988 607666935 /nfs/dbraw/zinc/66/69/35/607666935.db2.gz USFKOYRDAWXRCR-SECBINFHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000824921188 604025295 /nfs/dbraw/zinc/02/52/95/604025295.db2.gz CESVBHMRDGHTNV-HNNXBMFYSA-N -1 1 374.485 2.217 20 0 FEADMM CN(C)Cc1ccnc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000828045903 604066926 /nfs/dbraw/zinc/06/69/26/604066926.db2.gz ASFJARVJXZRBIR-INIZCTEOSA-N -1 1 356.426 2.351 20 0 FEADMM CN(C)Cc1ccnc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000828045904 604067148 /nfs/dbraw/zinc/06/71/48/604067148.db2.gz ASFJARVJXZRBIR-MRXNPFEDSA-N -1 1 356.426 2.351 20 0 FEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(OCCCNC(=O)[O-])CC1 ZINC000825895903 604101911 /nfs/dbraw/zinc/10/19/11/604101911.db2.gz OJSZAXLWMXSWMS-WBVHZDCISA-N -1 1 369.506 2.162 20 0 FEADMM CN(CCNC(=O)[O-])Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000828329743 604363374 /nfs/dbraw/zinc/36/33/74/604363374.db2.gz KQFCAPQNHCFRBM-UHFFFAOYSA-N -1 1 363.439 2.187 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3ccc(O)cc3)cc2)n1 ZINC000832729911 604412973 /nfs/dbraw/zinc/41/29/73/604412973.db2.gz KFCLFQZQXNUWFZ-UHFFFAOYSA-N -1 1 367.365 2.126 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3ccc(O)cc3)cc2)n[nH]1 ZINC000832729911 604412977 /nfs/dbraw/zinc/41/29/77/604412977.db2.gz KFCLFQZQXNUWFZ-UHFFFAOYSA-N -1 1 367.365 2.126 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1OCC(=O)[O-] ZINC000830037410 604424698 /nfs/dbraw/zinc/42/46/98/604424698.db2.gz CVLWZKAPXMAXCJ-CYBMUJFWSA-N -1 1 359.382 2.079 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)C1(NC(=O)[O-])CC1)N1CCCCC1 ZINC000829592167 604435083 /nfs/dbraw/zinc/43/50/83/604435083.db2.gz NCSBJLNXNRGPMN-HNNXBMFYSA-N -1 1 361.442 2.139 20 0 FEADMM O=C([O-])C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000833210083 604561451 /nfs/dbraw/zinc/56/14/51/604561451.db2.gz DYKFHAJLJFTWJK-VIFPVBQESA-N -1 1 352.188 2.405 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)C[C@H](Cc3ccccc3)NC(=O)[O-])C2)n[nH]1 ZINC000830739508 604646615 /nfs/dbraw/zinc/64/66/15/604646615.db2.gz YFPYIMLSBJAGFG-CVEARBPZSA-N -1 1 371.441 2.088 20 0 FEADMM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000833411520 604662695 /nfs/dbraw/zinc/66/26/95/604662695.db2.gz PBISUDQLLFFSGP-NHYWBVRUSA-N -1 1 370.365 2.320 20 0 FEADMM CCOc1ccnc(N2CCCN(Cc3ccc(C(=O)[O-])s3)CC2)n1 ZINC000830122834 604682484 /nfs/dbraw/zinc/68/24/84/604682484.db2.gz LPLBVQMHWCOVHJ-UHFFFAOYSA-N -1 1 362.455 2.347 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@@H](CNC(=O)[O-])C3)n[nH]2)c1 ZINC000829531739 604757546 /nfs/dbraw/zinc/75/75/46/604757546.db2.gz OJXLNJGUQWKTOC-LBPRGKRZSA-N -1 1 358.398 2.205 20 0 FEADMM CCc1ccc([C@@]2(CC)NC(=O)N(CN3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000830237088 604763988 /nfs/dbraw/zinc/76/39/88/604763988.db2.gz GOOWSGGVTQHVQQ-WOJBJXKFSA-N -1 1 373.453 2.160 20 0 FEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCc3c(cccc3N3CCOC3=O)C2)O1 ZINC000833581588 604831390 /nfs/dbraw/zinc/83/13/90/604831390.db2.gz WXDWNDVWLZDMNY-CQSZACIVSA-N -1 1 358.394 2.149 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000833549898 604935410 /nfs/dbraw/zinc/93/54/10/604935410.db2.gz IBMXYYGEFLFYDR-RHSMWYFYSA-N -1 1 360.458 2.256 20 0 FEADMM CC(=O)c1cccc(OC[C@H](O)CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000567478959 604951081 /nfs/dbraw/zinc/95/10/81/604951081.db2.gz HHAZNQHEDPWSCP-YLJYHZDGSA-N -1 1 369.417 2.313 20 0 FEADMM C[C@@H](CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccc(F)cc1F ZINC000630219940 605079059 /nfs/dbraw/zinc/07/90/59/605079059.db2.gz KFSYFRVNUNSTTF-STQMWFEESA-N -1 1 354.397 2.466 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000833618291 605107913 /nfs/dbraw/zinc/10/79/13/605107913.db2.gz ADGJNCFAHXOYBQ-FRRDWIJNSA-N -1 1 352.381 2.076 20 0 FEADMM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000833715067 605124902 /nfs/dbraw/zinc/12/49/02/605124902.db2.gz OIDUNKVIMGCFRL-LBPRGKRZSA-N -1 1 356.378 2.461 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(OC3CCCC3)nc2)CCN1CCC(=O)[O-] ZINC000833619157 605129721 /nfs/dbraw/zinc/12/97/21/605129721.db2.gz AUBXAXDOVPTEBW-AWEZNQCLSA-N -1 1 361.442 2.024 20 0 FEADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833589069 605151681 /nfs/dbraw/zinc/15/16/81/605151681.db2.gz UCVSGJCGYCTGKM-FYINFDKHSA-N -1 1 372.465 2.227 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CCC1=O ZINC000833591893 605153348 /nfs/dbraw/zinc/15/33/48/605153348.db2.gz ZKGFKTACMHHJJM-KUDFPVQQSA-N -1 1 372.465 2.227 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1C(F)F ZINC000833494262 605160663 /nfs/dbraw/zinc/16/06/63/605160663.db2.gz KMUBDRDMAXDIJV-GFCCVEGCSA-N -1 1 372.416 2.098 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000833623979 605166186 /nfs/dbraw/zinc/16/61/86/605166186.db2.gz UDXWLRYXKPYNHA-ZDUSSCGKSA-N -1 1 350.846 2.379 20 0 FEADMM O=C([O-])c1cccc(NC(=O)CNC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000833764577 605186826 /nfs/dbraw/zinc/18/68/26/605186826.db2.gz IXALULCGVZVBHP-UHFFFAOYSA-N -1 1 354.362 2.331 20 0 FEADMM C[C@@H]1Cc2ccc(Br)cc2CN1CCC(=O)N(C)CC(=O)[O-] ZINC000833633422 605217713 /nfs/dbraw/zinc/21/77/13/605217713.db2.gz VRKZKBLCUNYSDZ-LLVKDONJSA-N -1 1 369.259 2.129 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833666204 605221909 /nfs/dbraw/zinc/22/19/09/605221909.db2.gz PJSAYCCBEALHTN-UHFFFAOYSA-N -1 1 355.412 2.015 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)CCN1CCC(=O)[O-] ZINC000833623356 605250427 /nfs/dbraw/zinc/25/04/27/605250427.db2.gz PLUZKVVKTKYHKH-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Oc3cccnc3)cc2)CCN1CCC(=O)[O-] ZINC000833620209 605251745 /nfs/dbraw/zinc/25/17/45/605251745.db2.gz FJPOQIXBMIEIFM-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(Oc3cccnc3)cc2)CCN1CCC(=O)[O-] ZINC000833620208 605251754 /nfs/dbraw/zinc/25/17/54/605251754.db2.gz FJPOQIXBMIEIFM-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCN1CCC(=O)[O-] ZINC000833625426 605255149 /nfs/dbraw/zinc/25/51/49/605255149.db2.gz XZBADNPRJGUJFL-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM COCCN1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@@H]1C ZINC000833724419 605264872 /nfs/dbraw/zinc/26/48/72/605264872.db2.gz LZOSIYQIJQIHGD-WFASDCNBSA-N -1 1 360.376 2.484 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000833618554 605268385 /nfs/dbraw/zinc/26/83/85/605268385.db2.gz CNVJLRGFLJWXOI-SWLSCSKDSA-N -1 1 350.846 2.377 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)n[nH]1 ZINC000830029986 605301697 /nfs/dbraw/zinc/30/16/97/605301697.db2.gz KVKVTXKVXAKZFL-LBPRGKRZSA-N -1 1 363.462 2.213 20 0 FEADMM O=C([O-])N[C@@H]1CCCN(C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000834180650 605307353 /nfs/dbraw/zinc/30/73/53/605307353.db2.gz FWRQCGVJHQOFSA-NEPJUHHUSA-N -1 1 362.348 2.177 20 0 FEADMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000833823837 605313577 /nfs/dbraw/zinc/31/35/77/605313577.db2.gz ABRKHLUKEJBMRB-XLIONFOSSA-N -1 1 374.485 2.379 20 0 FEADMM CC(C)(C)[C@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000833426499 605349672 /nfs/dbraw/zinc/34/96/72/605349672.db2.gz VFOAOSCECOIRQC-AWEZNQCLSA-N -1 1 359.426 2.479 20 0 FEADMM CC[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC[C@H]1NC(=O)[O-] ZINC000833847983 605372120 /nfs/dbraw/zinc/37/21/20/605372120.db2.gz LAOAGPZQWORWTD-GXTWGEPZSA-N -1 1 372.429 2.049 20 0 FEADMM CC[C@H]1CN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC[C@H]1NC(=O)[O-] ZINC000833847983 605372129 /nfs/dbraw/zinc/37/21/29/605372129.db2.gz LAOAGPZQWORWTD-GXTWGEPZSA-N -1 1 372.429 2.049 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000827994718 605377979 /nfs/dbraw/zinc/37/79/79/605377979.db2.gz NMOVQTXFMQBJNZ-LSDHHAIUSA-N -1 1 366.487 2.277 20 0 FEADMM C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(-c2nnc(CNC(=O)[O-])[n-]2)cc1 ZINC000825872000 605436312 /nfs/dbraw/zinc/43/63/12/605436312.db2.gz JICZAQSLTJIGMF-TXEJJXNPSA-N -1 1 372.429 2.051 20 0 FEADMM CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(CNC(=O)[O-])[n-]2)cc1 ZINC000826922327 605437077 /nfs/dbraw/zinc/43/70/77/605437077.db2.gz WURYXMWVSUQKLE-AWEZNQCLSA-N -1 1 372.429 2.052 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000825815963 605504495 /nfs/dbraw/zinc/50/44/95/605504495.db2.gz GTMOBAQMILPTMS-XBFCOCLRSA-N -1 1 354.476 2.181 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000826356820 607764374 /nfs/dbraw/zinc/76/43/74/607764374.db2.gz HHTXXWRPTTWEML-LBPRGKRZSA-N -1 1 358.793 2.233 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000826356820 607764375 /nfs/dbraw/zinc/76/43/75/607764375.db2.gz HHTXXWRPTTWEML-LBPRGKRZSA-N -1 1 358.793 2.233 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000827994515 605599379 /nfs/dbraw/zinc/59/93/79/605599379.db2.gz LRNYVWJUAPQENI-ZIAGYGMSSA-N -1 1 366.487 2.277 20 0 FEADMM Cn1c(CN[C@@H](CNC(=O)[O-])C2CCCCC2)nc2ccccc2c1=O ZINC000833941895 605665708 /nfs/dbraw/zinc/66/57/08/605665708.db2.gz SREAIIRYAPKVGZ-INIZCTEOSA-N -1 1 358.442 2.240 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)n[nH]2)c1 ZINC000829531349 605748863 /nfs/dbraw/zinc/74/88/63/605748863.db2.gz IGDSMMOTAGWRLE-YPMHNXCESA-N -1 1 358.398 2.346 20 0 FEADMM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000833806228 605797751 /nfs/dbraw/zinc/79/77/51/605797751.db2.gz CYOFGJZXZGSPIU-BXUZGUMPSA-N -1 1 356.854 2.146 20 0 FEADMM O=C(C[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008223 605807496 /nfs/dbraw/zinc/80/74/96/605807496.db2.gz TVFSFKODMZEOTF-DLBZAZTESA-N -1 1 361.442 2.089 20 0 FEADMM Cc1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)ccc1NC(=O)[O-] ZINC000829929660 605879138 /nfs/dbraw/zinc/87/91/38/605879138.db2.gz APWUAHNNEYFCFK-INIZCTEOSA-N -1 1 361.442 2.412 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1C[C@@H](O)c1cccc(Br)c1 ZINC000833835138 605898203 /nfs/dbraw/zinc/89/82/03/605898203.db2.gz UYALNJWPHPYYPX-JTNHKYCSSA-N -1 1 357.248 2.461 20 0 FEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000834044400 605939664 /nfs/dbraw/zinc/93/96/64/605939664.db2.gz GRAJDYPDFGMCEW-GFCCVEGCSA-N -1 1 360.389 2.141 20 0 FEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000834092209 605976185 /nfs/dbraw/zinc/97/61/85/605976185.db2.gz BYRYPZLTUYCIHQ-KURKYZTESA-N -1 1 372.469 2.187 20 0 FEADMM COC(=O)c1oc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)cc1C ZINC000821671427 606020555 /nfs/dbraw/zinc/02/05/55/606020555.db2.gz VMNROHUAIKJDSZ-UHFFFAOYSA-N -1 1 360.399 2.254 20 0 FEADMM O=C([O-])N1CCC(CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834073422 606093698 /nfs/dbraw/zinc/09/36/98/606093698.db2.gz GITMUDVVEAROMN-CQSZACIVSA-N -1 1 361.446 2.168 20 0 FEADMM O=C([O-])N[C@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834252099 606094389 /nfs/dbraw/zinc/09/43/89/606094389.db2.gz XUCBRCAFOWPKCB-GJZGRUSLSA-N -1 1 369.425 2.397 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834166139 606094438 /nfs/dbraw/zinc/09/44/38/606094438.db2.gz CZAUEPFNEBRDKK-MGPQQGTHSA-N -1 1 361.446 2.215 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC1CCC(C)CC1 ZINC000820689901 606137313 /nfs/dbraw/zinc/13/73/13/606137313.db2.gz DJQPLCXINMXNLM-HSOILSAZSA-N -1 1 363.443 2.168 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC1CCC(C)CC1 ZINC000820689901 606137314 /nfs/dbraw/zinc/13/73/14/606137314.db2.gz DJQPLCXINMXNLM-HSOILSAZSA-N -1 1 363.443 2.168 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)Cc1ccc[nH]1 ZINC000822535333 606150132 /nfs/dbraw/zinc/15/01/32/606150132.db2.gz NNLGMKQRNTXCQU-UHFFFAOYSA-N -1 1 351.370 2.159 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)Cc1ccc[nH]1 ZINC000822535333 606150133 /nfs/dbraw/zinc/15/01/33/606150133.db2.gz NNLGMKQRNTXCQU-UHFFFAOYSA-N -1 1 351.370 2.159 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000820380372 606159702 /nfs/dbraw/zinc/15/97/02/606159702.db2.gz RJEOGOUYZXNEPV-DJCSNXPJSA-N -1 1 370.461 2.327 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C12CC3CC(CC(C3)C1)C2 ZINC000820380372 606159704 /nfs/dbraw/zinc/15/97/04/606159704.db2.gz RJEOGOUYZXNEPV-DJCSNXPJSA-N -1 1 370.461 2.327 20 0 FEADMM CC(C)c1ccc(CCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820191968 606160847 /nfs/dbraw/zinc/16/08/47/606160847.db2.gz CGAUSDVBUMGOEH-UHFFFAOYSA-N -1 1 368.445 2.478 20 0 FEADMM CC(C)c1ccc(CCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820191968 606160849 /nfs/dbraw/zinc/16/08/49/606160849.db2.gz CGAUSDVBUMGOEH-UHFFFAOYSA-N -1 1 368.445 2.478 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC(c3cccc(Cl)c3)C2)n1 ZINC000822614668 606164596 /nfs/dbraw/zinc/16/45/96/606164596.db2.gz PSMBSBABAWXDDU-UHFFFAOYSA-N -1 1 372.820 2.321 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC(c3cccc(Cl)c3)C2)n1 ZINC000822614668 606164597 /nfs/dbraw/zinc/16/45/97/606164597.db2.gz PSMBSBABAWXDDU-UHFFFAOYSA-N -1 1 372.820 2.321 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000822540468 606182070 /nfs/dbraw/zinc/18/20/70/606182070.db2.gz BGHYRALZEOBMCM-CMPLNLGQSA-N -1 1 357.370 2.141 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000822540468 606182072 /nfs/dbraw/zinc/18/20/72/606182072.db2.gz BGHYRALZEOBMCM-CMPLNLGQSA-N -1 1 357.370 2.141 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000822540470 606182347 /nfs/dbraw/zinc/18/23/47/606182347.db2.gz BGHYRALZEOBMCM-JQWIXIFHSA-N -1 1 357.370 2.141 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000822540470 606182349 /nfs/dbraw/zinc/18/23/49/606182349.db2.gz BGHYRALZEOBMCM-JQWIXIFHSA-N -1 1 357.370 2.141 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726991 606187744 /nfs/dbraw/zinc/18/77/44/606187744.db2.gz DZWPSEVGBSUDRI-MGPLVRAMSA-N -1 1 352.373 2.454 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726991 606187746 /nfs/dbraw/zinc/18/77/46/606187746.db2.gz DZWPSEVGBSUDRI-MGPLVRAMSA-N -1 1 352.373 2.454 20 0 FEADMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144524 606497580 /nfs/dbraw/zinc/49/75/80/606497580.db2.gz HJHLGLIEHNDESM-UHFFFAOYSA-N -1 1 354.395 2.073 20 0 FEADMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144524 606497582 /nfs/dbraw/zinc/49/75/82/606497582.db2.gz HJHLGLIEHNDESM-UHFFFAOYSA-N -1 1 354.395 2.073 20 0 FEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821794712 606518511 /nfs/dbraw/zinc/51/85/11/606518511.db2.gz KTJOAVWIUPCZIS-UHFFFAOYSA-N -1 1 359.411 2.218 20 0 FEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821794712 606518512 /nfs/dbraw/zinc/51/85/12/606518512.db2.gz KTJOAVWIUPCZIS-UHFFFAOYSA-N -1 1 359.411 2.218 20 0 FEADMM Cc1cccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000822303501 606520206 /nfs/dbraw/zinc/52/02/06/606520206.db2.gz COTBWJDKUNFXKT-UHFFFAOYSA-N -1 1 368.466 2.195 20 0 FEADMM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(O)c1 ZINC000821342321 606598584 /nfs/dbraw/zinc/59/85/84/606598584.db2.gz AZMCXICQNCJUCT-UHFFFAOYSA-N -1 1 359.367 2.063 20 0 FEADMM Cc1nn(-c2ccccc2)c(Cl)c1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000822486199 606615341 /nfs/dbraw/zinc/61/53/41/606615341.db2.gz BBGZIRBOIMICPJ-UHFFFAOYSA-N -1 1 367.800 2.224 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(c2ccccc2)CCOCC1 ZINC000823431833 606649062 /nfs/dbraw/zinc/64/90/62/606649062.db2.gz YXCHYYVLRAIOGQ-UHFFFAOYSA-N -1 1 365.393 2.053 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(c2ccccc2)CCOCC1 ZINC000823431833 606649063 /nfs/dbraw/zinc/64/90/63/606649063.db2.gz YXCHYYVLRAIOGQ-UHFFFAOYSA-N -1 1 365.393 2.053 20 0 FEADMM O=C(C[C@@H]1CCOc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945811 606649708 /nfs/dbraw/zinc/64/97/08/606649708.db2.gz RKQHYILKXAWPRC-ZDUSSCGKSA-N -1 1 351.366 2.261 20 0 FEADMM O=C(C[C@@H]1CCOc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945811 606649709 /nfs/dbraw/zinc/64/97/09/606649709.db2.gz RKQHYILKXAWPRC-ZDUSSCGKSA-N -1 1 351.366 2.261 20 0 FEADMM O=C(Cc1coc2cc(F)ccc12)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823118817 606650596 /nfs/dbraw/zinc/65/05/96/606650596.db2.gz ROXQLEYZXAAAFE-UHFFFAOYSA-N -1 1 353.313 2.433 20 0 FEADMM O=C(Cc1coc2cc(F)ccc12)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823118817 606650597 /nfs/dbraw/zinc/65/05/97/606650597.db2.gz ROXQLEYZXAAAFE-UHFFFAOYSA-N -1 1 353.313 2.433 20 0 FEADMM COc1cccc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)oc21 ZINC000821877572 606651118 /nfs/dbraw/zinc/65/11/18/606651118.db2.gz MGIYSBCXLNNNJV-UHFFFAOYSA-N -1 1 351.322 2.374 20 0 FEADMM COc1cccc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)oc21 ZINC000821877572 606651119 /nfs/dbraw/zinc/65/11/19/606651119.db2.gz MGIYSBCXLNNNJV-UHFFFAOYSA-N -1 1 351.322 2.374 20 0 FEADMM O=C(C[C@H]1OCCc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945624 606651148 /nfs/dbraw/zinc/65/11/48/606651148.db2.gz LSXSOHQDPQIBTL-MRXNPFEDSA-N -1 1 351.366 2.009 20 0 FEADMM O=C(C[C@H]1OCCc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945624 606651149 /nfs/dbraw/zinc/65/11/49/606651149.db2.gz LSXSOHQDPQIBTL-MRXNPFEDSA-N -1 1 351.366 2.009 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000822223831 606779532 /nfs/dbraw/zinc/77/95/32/606779532.db2.gz MBABGHFEJZNUNS-UHFFFAOYSA-N -1 1 373.442 2.357 20 0 FEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCC2C[C@H](C)C[C@@H](C)C2)c1 ZINC000821666996 606792773 /nfs/dbraw/zinc/79/27/73/606792773.db2.gz PBNIDTOZKKRABI-VXGBXAGGSA-N -1 1 359.430 2.277 20 0 FEADMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820703247 606840290 /nfs/dbraw/zinc/84/02/90/606840290.db2.gz DJCDSSNMTALELT-MFKMUULPSA-N -1 1 353.423 2.205 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2)C1 ZINC000823600443 606844615 /nfs/dbraw/zinc/84/46/15/606844615.db2.gz HXBORUQECWIGRO-CYBMUJFWSA-N -1 1 373.413 2.184 20 0 FEADMM Cc1c(NCC(C)(C)C)cccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822122943 606850416 /nfs/dbraw/zinc/85/04/16/606850416.db2.gz RWIYMYYJYVNPPL-UHFFFAOYSA-N -1 1 354.418 2.100 20 0 FEADMM c1ccc(O[C@@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)nc1 ZINC000823792043 606879511 /nfs/dbraw/zinc/87/95/11/606879511.db2.gz NQBSFTKODBXBPW-CYBMUJFWSA-N -1 1 359.393 2.468 20 0 FEADMM c1ccc(O[C@@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)nc1 ZINC000823792043 606879512 /nfs/dbraw/zinc/87/95/12/606879512.db2.gz NQBSFTKODBXBPW-CYBMUJFWSA-N -1 1 359.393 2.468 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000822535463 606943611 /nfs/dbraw/zinc/94/36/11/606943611.db2.gz SDVWRDOMYRNKIU-JTQLQIEISA-N -1 1 362.340 2.476 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000822535463 606943612 /nfs/dbraw/zinc/94/36/12/606943612.db2.gz SDVWRDOMYRNKIU-JTQLQIEISA-N -1 1 362.340 2.476 20 0 FEADMM CCC(=CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)CC ZINC000820831643 607025272 /nfs/dbraw/zinc/02/52/72/607025272.db2.gz AHXYNYADGBCVIW-UHFFFAOYSA-N -1 1 371.445 2.127 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000823483789 607043387 /nfs/dbraw/zinc/04/33/87/607043387.db2.gz NEWGXQAXXSFCFW-UHFFFAOYSA-N -1 1 372.429 2.025 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000823483789 607043388 /nfs/dbraw/zinc/04/33/88/607043388.db2.gz NEWGXQAXXSFCFW-UHFFFAOYSA-N -1 1 372.429 2.025 20 0 FEADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1sccc1-c1nn[nH]n1 ZINC000823383407 607100829 /nfs/dbraw/zinc/10/08/29/607100829.db2.gz RDVGCZJZWYQCOR-UHFFFAOYSA-N -1 1 361.334 2.137 20 0 FEADMM Cc1ccc(N2CCCC2)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822242222 607108277 /nfs/dbraw/zinc/10/82/77/607108277.db2.gz FDAANCHPERJIHJ-UHFFFAOYSA-N -1 1 355.427 2.484 20 0 FEADMM Cc1ccc(N2CCCC2)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822242222 607108279 /nfs/dbraw/zinc/10/82/79/607108279.db2.gz FDAANCHPERJIHJ-UHFFFAOYSA-N -1 1 355.427 2.484 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000823379598 607108933 /nfs/dbraw/zinc/10/89/33/607108933.db2.gz AACUMWCPNSVADK-LBPRGKRZSA-N -1 1 373.417 2.065 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000823379598 607108935 /nfs/dbraw/zinc/10/89/35/607108935.db2.gz AACUMWCPNSVADK-LBPRGKRZSA-N -1 1 373.417 2.065 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Br)c(F)c1 ZINC000823379988 607110624 /nfs/dbraw/zinc/11/06/24/607110624.db2.gz NIHBDVMUPMBZFF-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Br)c(F)c1 ZINC000823379988 607110625 /nfs/dbraw/zinc/11/06/25/607110625.db2.gz NIHBDVMUPMBZFF-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)[nH]n1 ZINC000820187708 607110642 /nfs/dbraw/zinc/11/06/42/607110642.db2.gz NTRPTLBQVRBNJI-UHFFFAOYSA-N -1 1 367.822 2.167 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525860 607222416 /nfs/dbraw/zinc/22/24/16/607222416.db2.gz UWZDTSKYPJKBOT-GOEBONIOSA-N -1 1 368.441 2.406 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525860 607222417 /nfs/dbraw/zinc/22/24/17/607222417.db2.gz UWZDTSKYPJKBOT-GOEBONIOSA-N -1 1 368.441 2.406 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826472849 607802473 /nfs/dbraw/zinc/80/24/73/607802473.db2.gz YUEXVPLLMVZBDM-GOSISDBHSA-N -1 1 367.434 2.242 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826472849 607802474 /nfs/dbraw/zinc/80/24/74/607802474.db2.gz YUEXVPLLMVZBDM-GOSISDBHSA-N -1 1 367.434 2.242 20 0 FEADMM CC(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824029837 607864284 /nfs/dbraw/zinc/86/42/84/607864284.db2.gz QTCHOXZKALSKHF-UHFFFAOYSA-N -1 1 355.329 2.226 20 0 FEADMM CC(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824029837 607864285 /nfs/dbraw/zinc/86/42/85/607864285.db2.gz QTCHOXZKALSKHF-UHFFFAOYSA-N -1 1 355.329 2.226 20 0 FEADMM C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949100 607903020 /nfs/dbraw/zinc/90/30/20/607903020.db2.gz WUJZAIRZFQUSJD-JSGCOSHPSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949100 607903021 /nfs/dbraw/zinc/90/30/21/607903021.db2.gz WUJZAIRZFQUSJD-JSGCOSHPSA-N -1 1 373.461 2.391 20 0 FEADMM CC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209976 607934720 /nfs/dbraw/zinc/93/47/20/607934720.db2.gz DKTZVAIFZXYZPC-STQMWFEESA-N -1 1 373.461 2.391 20 0 FEADMM CC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209976 607934721 /nfs/dbraw/zinc/93/47/21/607934721.db2.gz DKTZVAIFZXYZPC-STQMWFEESA-N -1 1 373.461 2.391 20 0 FEADMM O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826507211 607936832 /nfs/dbraw/zinc/93/68/32/607936832.db2.gz KKZVBLMFNAYISP-DGCLKSJQSA-N -1 1 360.780 2.367 20 0 FEADMM O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826507211 607936833 /nfs/dbraw/zinc/93/68/33/607936833.db2.gz KKZVBLMFNAYISP-DGCLKSJQSA-N -1 1 360.780 2.367 20 0 FEADMM O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826507212 607936978 /nfs/dbraw/zinc/93/69/78/607936978.db2.gz KKZVBLMFNAYISP-WCQYABFASA-N -1 1 360.780 2.367 20 0 FEADMM O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826507212 607936979 /nfs/dbraw/zinc/93/69/79/607936979.db2.gz KKZVBLMFNAYISP-WCQYABFASA-N -1 1 360.780 2.367 20 0 FEADMM O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433824 608108651 /nfs/dbraw/zinc/10/86/51/608108651.db2.gz SDRIYRPDJXSPRG-SNVBAGLBSA-N -1 1 367.793 2.184 20 0 FEADMM O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433824 608108652 /nfs/dbraw/zinc/10/86/52/608108652.db2.gz SDRIYRPDJXSPRG-SNVBAGLBSA-N -1 1 367.793 2.184 20 0 FEADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824077631 608125380 /nfs/dbraw/zinc/12/53/80/608125380.db2.gz CAZAIBICARHREO-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824077631 608125381 /nfs/dbraw/zinc/12/53/81/608125381.db2.gz CAZAIBICARHREO-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@H](c1ccccc1)C1CCCC1 ZINC000826425124 608147897 /nfs/dbraw/zinc/14/78/97/608147897.db2.gz QOSOTZUZZRJMDE-MRXNPFEDSA-N -1 1 351.414 2.111 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@H](c1ccccc1)C1CCCC1 ZINC000826425124 608147899 /nfs/dbraw/zinc/14/78/99/608147899.db2.gz QOSOTZUZZRJMDE-MRXNPFEDSA-N -1 1 351.414 2.111 20 0 FEADMM CCCn1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825362494 608248729 /nfs/dbraw/zinc/24/87/29/608248729.db2.gz MNZGAZDFDBTDKX-UHFFFAOYSA-N -1 1 353.386 2.103 20 0 FEADMM CCCn1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825362494 608248730 /nfs/dbraw/zinc/24/87/30/608248730.db2.gz MNZGAZDFDBTDKX-UHFFFAOYSA-N -1 1 353.386 2.103 20 0 FEADMM CCCn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)nn1 ZINC000825356622 608349751 /nfs/dbraw/zinc/34/97/51/608349751.db2.gz AXNIIHKPQBIDNM-UHFFFAOYSA-N -1 1 360.447 2.480 20 0 FEADMM CCCn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)nn1 ZINC000825356622 608349753 /nfs/dbraw/zinc/34/97/53/608349753.db2.gz AXNIIHKPQBIDNM-UHFFFAOYSA-N -1 1 360.447 2.480 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826208536 608410460 /nfs/dbraw/zinc/41/04/60/608410460.db2.gz PMCBTEWELYDPBN-LLVKDONJSA-N -1 1 372.820 2.010 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826208536 608410462 /nfs/dbraw/zinc/41/04/62/608410462.db2.gz PMCBTEWELYDPBN-LLVKDONJSA-N -1 1 372.820 2.010 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3cccc(F)c3C2)c(-c2nn[n-]n2)c1C ZINC000826342135 608469429 /nfs/dbraw/zinc/46/94/29/608469429.db2.gz YYLGQWIXFHIXHI-UHFFFAOYSA-N -1 1 370.388 2.212 20 0 FEADMM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824113686 608538604 /nfs/dbraw/zinc/53/86/04/608538604.db2.gz AGRBZLVXBTWNBU-AWEZNQCLSA-N -1 1 367.413 2.022 20 0 FEADMM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824113686 608538606 /nfs/dbraw/zinc/53/86/06/608538606.db2.gz AGRBZLVXBTWNBU-AWEZNQCLSA-N -1 1 367.413 2.022 20 0 FEADMM CCOc1ccccc1N1CCN(c2nc(-c3nnn[n-]3)ccc2C)CC1 ZINC000825654315 608540511 /nfs/dbraw/zinc/54/05/11/608540511.db2.gz WUAUTXSDOSZBTC-UHFFFAOYSA-N -1 1 365.441 2.295 20 0 FEADMM CCOc1ccccc1N1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000825654315 608540513 /nfs/dbraw/zinc/54/05/13/608540513.db2.gz WUAUTXSDOSZBTC-UHFFFAOYSA-N -1 1 365.441 2.295 20 0 FEADMM Cn1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1-c1ccccc1 ZINC000826365843 608555786 /nfs/dbraw/zinc/55/57/86/608555786.db2.gz GJSHSNGHEQEOSW-UHFFFAOYSA-N -1 1 361.365 2.225 20 0 FEADMM c1cc(-c2nnn[n-]2)oc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000826514950 608665130 /nfs/dbraw/zinc/66/51/30/608665130.db2.gz INDSNSVULFIFDR-CYBMUJFWSA-N -1 1 354.418 2.115 20 0 FEADMM c1cc(-c2nn[n-]n2)oc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000826514950 608665133 /nfs/dbraw/zinc/66/51/33/608665133.db2.gz INDSNSVULFIFDR-CYBMUJFWSA-N -1 1 354.418 2.115 20 0 FEADMM CC[C@H]1NC(=O)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000825218080 609276368 /nfs/dbraw/zinc/27/63/68/609276368.db2.gz CBMOISCSZGGILG-GFCCVEGCSA-N -1 1 368.422 2.426 20 0 FEADMM C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1C ZINC000824978311 609357943 /nfs/dbraw/zinc/35/79/43/609357943.db2.gz VNCAQNFTWTXMAH-GHMZBOCLSA-N -1 1 370.392 2.311 20 0 FEADMM CC(C)(CO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824162825 609392418 /nfs/dbraw/zinc/39/24/18/609392418.db2.gz POCSKJQPRNEFEY-UHFFFAOYSA-N -1 1 371.372 2.299 20 0 FEADMM CC(C)(CO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824162825 609392420 /nfs/dbraw/zinc/39/24/20/609392420.db2.gz POCSKJQPRNEFEY-UHFFFAOYSA-N -1 1 371.372 2.299 20 0 FEADMM CCNc1ccc(Cl)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825481297 609471400 /nfs/dbraw/zinc/47/14/00/609471400.db2.gz WJDSQXWWEDJNHC-UHFFFAOYSA-N -1 1 361.793 2.430 20 0 FEADMM CCNc1ccc(Cl)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825481297 609471402 /nfs/dbraw/zinc/47/14/02/609471402.db2.gz WJDSQXWWEDJNHC-UHFFFAOYSA-N -1 1 361.793 2.430 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCc1cccc(F)c1F ZINC000826295160 609490769 /nfs/dbraw/zinc/49/07/69/609490769.db2.gz UFLKXPFPXZRHQI-UHFFFAOYSA-N -1 1 368.347 2.406 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824994040 609610302 /nfs/dbraw/zinc/61/03/02/609610302.db2.gz SMYAOANYPPHSMF-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM O=S(=O)([N-]CCn1cnc2ccccc21)c1ccc(F)c(F)c1F ZINC000560603999 674603011 /nfs/dbraw/zinc/60/30/11/674603011.db2.gz KVOIPJYZSCSKHR-UHFFFAOYSA-N -1 1 355.341 2.432 20 0 FEADMM O=C([N-]C[C@H]1CCCN(Cc2cn3cccc(F)c3n2)C1)C(F)(F)F ZINC000811514524 674610207 /nfs/dbraw/zinc/61/02/07/674610207.db2.gz MUBRZUJXTGOQHN-LLVKDONJSA-N -1 1 358.339 2.364 20 0 FEADMM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c(C)c1Cl ZINC000811725657 674623251 /nfs/dbraw/zinc/62/32/51/674623251.db2.gz WMZVESYMCBMVLI-UHFFFAOYSA-N -1 1 362.816 2.398 20 0 FEADMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1C ZINC000561051158 674632411 /nfs/dbraw/zinc/63/24/11/674632411.db2.gz CEDCFJZRPJEGRI-UHFFFAOYSA-N -1 1 362.432 2.401 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2cccc(F)c2)C1)C(F)(F)F ZINC000811857805 674633694 /nfs/dbraw/zinc/63/36/94/674633694.db2.gz CWNKGYWIJXGVNU-LBPRGKRZSA-N -1 1 361.339 2.426 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC000812361260 674670160 /nfs/dbraw/zinc/67/01/60/674670160.db2.gz RTDRNSWEDWEDNB-UHFFFAOYSA-N -1 1 374.340 2.170 20 0 FEADMM CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000641597003 677210925 /nfs/dbraw/zinc/21/09/25/677210925.db2.gz HHJMDNOCVNVHPX-VIFPVBQESA-N -1 1 369.245 2.279 20 0 FEADMM O=C1CCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3Br)cc21 ZINC000562262460 674734598 /nfs/dbraw/zinc/73/45/98/674734598.db2.gz YTALRJFAVDKJKS-UHFFFAOYSA-N -1 1 370.228 2.492 20 0 FEADMM C[C@@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccn1 ZINC000813635004 674763424 /nfs/dbraw/zinc/76/34/24/674763424.db2.gz IBVYXJFVMVNXBJ-OPDFLTKYSA-N -1 1 357.376 2.489 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccccc1CC(=O)OC(C)(C)C ZINC000813710456 674772690 /nfs/dbraw/zinc/77/26/90/674772690.db2.gz KBQPFEWLLXOCGM-UHFFFAOYSA-N -1 1 352.412 2.370 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CC[C@@H](c3ccccc3)O2)o1 ZINC000814061454 674814769 /nfs/dbraw/zinc/81/47/69/674814769.db2.gz PKQCWJUOFGGKAD-KGLIPLIRSA-N -1 1 365.407 2.265 20 0 FEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1 ZINC000563433899 674887330 /nfs/dbraw/zinc/88/73/30/674887330.db2.gz YUALFSHJKWUVPK-UHFFFAOYSA-N -1 1 365.411 2.273 20 0 FEADMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC ZINC000563619675 674918194 /nfs/dbraw/zinc/91/81/94/674918194.db2.gz FTTQGDCTIKMGGI-WCQYABFASA-N -1 1 354.428 2.225 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000563993462 674962163 /nfs/dbraw/zinc/96/21/63/674962163.db2.gz HDJDSNHDROZLQH-OAQYLSRUSA-N -1 1 361.876 2.061 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cccc(COC(C)(C)C)c1 ZINC000564348635 674999045 /nfs/dbraw/zinc/99/90/45/674999045.db2.gz MBZIACPIXKFLAF-UHFFFAOYSA-N -1 1 353.444 2.359 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(=O)c(Cl)c[nH]2)o1 ZINC000816543024 675063938 /nfs/dbraw/zinc/06/39/38/675063938.db2.gz LGZXSYMEOBRJOQ-UHFFFAOYSA-N -1 1 373.818 2.363 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000015756709 670013557 /nfs/dbraw/zinc/01/35/57/670013557.db2.gz IDFPDYXZTPTBBC-UHFFFAOYSA-N -1 1 362.407 2.008 20 0 FEADMM O=C(COC(=O)Cc1cccs1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000022424400 670040444 /nfs/dbraw/zinc/04/04/44/670040444.db2.gz MEZKOKNATSVBFQ-UHFFFAOYSA-N -1 1 369.345 2.392 20 0 FEADMM O=C([N-]Oc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000816684967 675073069 /nfs/dbraw/zinc/07/30/69/675073069.db2.gz YHKFNZUMRISLGL-UHFFFAOYSA-N -1 1 360.435 2.198 20 0 FEADMM COc1ccc(NC(=O)COc2ccccc2F)cc1[N-]S(C)(=O)=O ZINC000029817525 670103603 /nfs/dbraw/zinc/10/36/03/670103603.db2.gz VWTPUGBKRIKFBH-UHFFFAOYSA-N -1 1 368.386 2.223 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3OC)s2)o1 ZINC000048122669 670258274 /nfs/dbraw/zinc/25/82/74/670258274.db2.gz GHAVWUIKMQBHHN-UHFFFAOYSA-N -1 1 367.408 2.058 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c1Cl ZINC000048671460 670271442 /nfs/dbraw/zinc/27/14/42/670271442.db2.gz QVWRCMZXZCJZIJ-UHFFFAOYSA-N -1 1 370.681 2.376 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccccc2Br)c1Cl ZINC000048821089 670273926 /nfs/dbraw/zinc/27/39/26/670273926.db2.gz BBZDROKSKHQCBU-UHFFFAOYSA-N -1 1 364.652 2.315 20 0 FEADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000055637561 670353159 /nfs/dbraw/zinc/35/31/59/670353159.db2.gz WJIUOVHZUISPQL-UHFFFAOYSA-N -1 1 364.379 2.452 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)COc2ccccc2)c(=O)[n-]1 ZINC000055733348 670354464 /nfs/dbraw/zinc/35/44/64/670354464.db2.gz UPCHAISYAZVHMV-LBPRGKRZSA-N -1 1 361.467 2.317 20 0 FEADMM CCn1c(CNC(=O)CCc2cccc(OC)c2OC)n[n-]c1=S ZINC000066636209 670445380 /nfs/dbraw/zinc/44/53/80/670445380.db2.gz YTXVSCPZTWAFRS-UHFFFAOYSA-N -1 1 350.444 2.227 20 0 FEADMM CC(C)N(CCC(=O)NCCc1n[n-]c(=S)n1C)C(=O)OC(C)(C)C ZINC000067051849 670451891 /nfs/dbraw/zinc/45/18/91/670451891.db2.gz CIRILWHXVDHVAC-UHFFFAOYSA-N -1 1 371.507 2.172 20 0 FEADMM CCCNC(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070776542 670492098 /nfs/dbraw/zinc/49/20/98/670492098.db2.gz WPXFHGBOBIEZGU-UHFFFAOYSA-N -1 1 359.757 2.261 20 0 FEADMM CCc1cc(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)nn1C ZINC000817308666 675120126 /nfs/dbraw/zinc/12/01/26/675120126.db2.gz ZDRMQEUSVYHABC-UHFFFAOYSA-N -1 1 367.431 2.007 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(C)c1)c1ccccc1 ZINC000078771310 670594224 /nfs/dbraw/zinc/59/42/24/670594224.db2.gz INNUVAJTUJBZML-ZDUSSCGKSA-N -1 1 354.815 2.236 20 0 FEADMM COc1cc(C(=O)NCCn2cc(Br)cn2)cc(Cl)c1[O-] ZINC000569757008 670607607 /nfs/dbraw/zinc/60/76/07/670607607.db2.gz SKEIKNCHRLZMTP-UHFFFAOYSA-N -1 1 374.622 2.443 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)CCCOc2cccnc2)CC1 ZINC000080092804 670615444 /nfs/dbraw/zinc/61/54/44/670615444.db2.gz CJSTZBMZKZQIEG-UHFFFAOYSA-N -1 1 361.471 2.438 20 0 FEADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1sc(N)nc1[O-] ZINC000080211534 670619158 /nfs/dbraw/zinc/61/91/58/670619158.db2.gz XPXVJVFVQROMCX-LDYMZIIASA-N -1 1 359.373 2.099 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000569826800 670619395 /nfs/dbraw/zinc/61/93/95/670619395.db2.gz QUZLYTVFSDOALE-WDEREUQCSA-N -1 1 369.867 2.113 20 0 FEADMM O=C([N-]OCC1CC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000817350165 675123388 /nfs/dbraw/zinc/12/33/88/675123388.db2.gz XVMWYFQPYFMMEN-LLVKDONJSA-N -1 1 353.216 2.260 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1)C1CC1 ZINC000565477270 675125014 /nfs/dbraw/zinc/12/50/14/675125014.db2.gz HDGLWBWYJATUDE-WFASDCNBSA-N -1 1 365.455 2.066 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1nc2ccccc2s1 ZINC000565477951 675125482 /nfs/dbraw/zinc/12/54/82/675125482.db2.gz VYWFHZLWMFNJJC-UHFFFAOYSA-N -1 1 362.480 2.350 20 0 FEADMM C[C@@H]([C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-])C1CC1 ZINC000569977958 670643471 /nfs/dbraw/zinc/64/34/71/670643471.db2.gz RWHDPTGEVIXFEC-KBUNVGBDSA-N -1 1 353.774 2.396 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000570055978 670654712 /nfs/dbraw/zinc/65/47/12/670654712.db2.gz LIMRTTDEZUCDBZ-UHFFFAOYSA-N -1 1 356.304 2.255 20 0 FEADMM O=C([C@@H]1CCN(c2ccccc2Cl)C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000565569898 675132912 /nfs/dbraw/zinc/13/29/12/675132912.db2.gz BSZVFYGVLWDNRM-QWHCGFSZSA-N -1 1 360.849 2.086 20 0 FEADMM NC(=O)CCCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000565572436 675132932 /nfs/dbraw/zinc/13/29/32/675132932.db2.gz WYKLUMGJZXUQCJ-UHFFFAOYSA-N -1 1 366.215 2.088 20 0 FEADMM O=C(NCCc1cccc(C(F)(F)F)n1)c1ccc2n[n-]c(=S)n2c1 ZINC000817452276 675134866 /nfs/dbraw/zinc/13/48/66/675134866.db2.gz MCSLMQGWLAIMGO-UHFFFAOYSA-N -1 1 367.356 2.404 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccccc3-c3nnc[nH]3)cn21 ZINC000570665767 670749235 /nfs/dbraw/zinc/74/92/35/670749235.db2.gz RZMSPAWPYMMGEX-NSHDSACASA-N -1 1 358.427 2.366 20 0 FEADMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)C1CC1 ZINC000570731529 670760801 /nfs/dbraw/zinc/76/08/01/670760801.db2.gz OEUDVSVAEJSPPA-LLVKDONJSA-N -1 1 352.250 2.118 20 0 FEADMM C[C@@H]1OCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491322 675138605 /nfs/dbraw/zinc/13/86/05/675138605.db2.gz XVAOCJYRFDYSKP-UHTWSYAYSA-N -1 1 356.344 2.048 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCOC1)C(F)(F)F ZINC000817492399 675138803 /nfs/dbraw/zinc/13/88/03/675138803.db2.gz ILWSBMDBKAHVOY-QWHCGFSZSA-N -1 1 356.344 2.049 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)c2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC000103414954 670782335 /nfs/dbraw/zinc/78/23/35/670782335.db2.gz UNPNYSAJGWMMDI-UHFFFAOYSA-N -1 1 360.483 2.462 20 0 FEADMM CCO[C@@H]1C[C@@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493065 675138948 /nfs/dbraw/zinc/13/89/48/675138948.db2.gz RBRPYFBVUNAEEN-SGMGOOAPSA-N -1 1 356.344 2.048 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000111353769 670856963 /nfs/dbraw/zinc/85/69/63/670856963.db2.gz OZIGGEAWASWGBI-SNVBAGLBSA-N -1 1 362.398 2.253 20 0 FEADMM COC[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)OC ZINC000817560957 675147264 /nfs/dbraw/zinc/14/72/64/675147264.db2.gz OIVHCNQGUSEIMC-JTQLQIEISA-N -1 1 356.152 2.389 20 0 FEADMM CC(C)(C)C(=O)N1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000117319180 670914172 /nfs/dbraw/zinc/91/41/72/670914172.db2.gz FEEGWRMRZLFXFK-UHFFFAOYSA-N -1 1 360.487 2.150 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCOCC12CC2 ZINC000572416091 670999293 /nfs/dbraw/zinc/99/92/93/670999293.db2.gz KEPWALAQSQVWER-UHFFFAOYSA-N -1 1 359.163 2.002 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CCSC1)C(F)(F)F ZINC000817777881 675176769 /nfs/dbraw/zinc/17/67/69/675176769.db2.gz LNUDSOCUAONZQG-NWDGAFQWSA-N -1 1 373.400 2.311 20 0 FEADMM Cn1cc(Br)cc(NC(=O)c2cccc3oc([O-])nc32)c1=O ZINC000573896623 671178490 /nfs/dbraw/zinc/17/84/90/671178490.db2.gz XWAIJOWAKHHZMV-UHFFFAOYSA-N -1 1 364.155 2.247 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1cc(Cl)cc(Cl)c1 ZINC000574240892 671217528 /nfs/dbraw/zinc/21/75/28/671217528.db2.gz MWDVWRIBBIUVBD-UHFFFAOYSA-N -1 1 350.227 2.393 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)o1 ZINC000575002952 671292067 /nfs/dbraw/zinc/29/20/67/671292067.db2.gz WBYWKLBNBWTDQG-UHFFFAOYSA-N -1 1 367.402 2.129 20 0 FEADMM Cc1cnc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)c(Br)c1 ZINC000577253209 671426858 /nfs/dbraw/zinc/42/68/58/671426858.db2.gz XNXYSJGTFMOWMI-UHFFFAOYSA-N -1 1 371.260 2.414 20 0 FEADMM O=C(Cc1ccccc1OC(F)F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000577303627 671586607 /nfs/dbraw/zinc/58/66/07/671586607.db2.gz 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COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)Cc2ccc(F)cc2C)c1 ZINC000594800845 673147355 /nfs/dbraw/zinc/14/73/55/673147355.db2.gz IFZJGXAOIXNTPU-LLVKDONJSA-N -1 1 355.387 2.423 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1cccc(OC)c1 ZINC000594823524 673153418 /nfs/dbraw/zinc/15/34/18/673153418.db2.gz WJBNCHFLPDQCNF-HNNXBMFYSA-N -1 1 369.464 2.133 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)o1 ZINC000594863318 673169656 /nfs/dbraw/zinc/16/96/56/673169656.db2.gz HNOHDILUHDYEHM-OLZOCXBDSA-N -1 1 371.455 2.471 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)n[nH]1 ZINC000613095139 676110997 /nfs/dbraw/zinc/11/09/97/676110997.db2.gz FQYPYEZJMYNMMM-UHFFFAOYSA-N -1 1 360.395 2.244 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)CCCCC1 ZINC000451020529 673234422 /nfs/dbraw/zinc/23/44/22/673234422.db2.gz XLUSOXDQGXUWPR-HNNXBMFYSA-N -1 1 355.456 2.169 20 0 FEADMM CCCCOCCOCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000462653911 673271748 /nfs/dbraw/zinc/27/17/48/673271748.db2.gz HFAYQTRGBSLMOD-UHFFFAOYSA-N -1 1 355.378 2.216 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491597686 673329591 /nfs/dbraw/zinc/32/95/91/673329591.db2.gz YCORUKCNUSVVLB-UHFFFAOYSA-N -1 1 358.423 2.016 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)OC)cc2)c1 ZINC000731433329 673330075 /nfs/dbraw/zinc/33/00/75/673330075.db2.gz AKORBLXXGFLFMQ-UHFFFAOYSA-N -1 1 350.396 2.129 20 0 FEADMM CCCn1nccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000613556459 676133693 /nfs/dbraw/zinc/13/36/93/676133693.db2.gz WSSNLJXMIDYRKB-CYBMUJFWSA-N -1 1 363.784 2.118 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3cnn(C4CCOCC4)c3)cc2[nH]1 ZINC000536192875 673363487 /nfs/dbraw/zinc/36/34/87/673363487.db2.gz PKSKGRKXJCBTJO-UHFFFAOYSA-N -1 1 361.427 2.220 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536739008 673379082 /nfs/dbraw/zinc/37/90/82/673379082.db2.gz GFBKGHVSXDNRSP-SECBINFHSA-N -1 1 370.814 2.099 20 0 FEADMM CCc1ccc(O)c(NS(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000538092929 673421589 /nfs/dbraw/zinc/42/15/89/673421589.db2.gz GCPAVBPXRGPBFT-UHFFFAOYSA-N -1 1 365.407 2.391 20 0 FEADMM Cc1nonc1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000798441715 683348158 /nfs/dbraw/zinc/34/81/58/683348158.db2.gz AQPNZDXBHZAGAX-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000538516188 673444094 /nfs/dbraw/zinc/44/40/94/673444094.db2.gz NZGNLTOBTSYPBC-NSHDSACASA-N -1 1 360.439 2.278 20 0 FEADMM COC(=O)C(C)(C)n1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000597072478 673444570 /nfs/dbraw/zinc/44/45/70/673444570.db2.gz KEDYXPHZOUMNRJ-UHFFFAOYSA-N -1 1 352.778 2.794 20 0 FEADMM COc1cc(NC(=O)c2ccc(C)nc2OC)ccc1[N-]S(C)(=O)=O ZINC000538586724 673446773 /nfs/dbraw/zinc/44/67/73/673446773.db2.gz QYGLIYOKLSOVLP-UHFFFAOYSA-N -1 1 365.411 2.031 20 0 FEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cncc(Br)c2)on1 ZINC000734003421 673448760 /nfs/dbraw/zinc/44/87/60/673448760.db2.gz NSQLCMNDGCDPDU-UHFFFAOYSA-N -1 1 360.233 2.434 20 0 FEADMM Cc1nc(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)[n-]c(=O)c1C ZINC000539616018 673498685 /nfs/dbraw/zinc/49/86/85/673498685.db2.gz DSHIYZUSOGLNRM-UHFFFAOYSA-N -1 1 360.439 2.232 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000540051591 673521069 /nfs/dbraw/zinc/52/10/69/673521069.db2.gz OIXPSZZLPCJRPR-UHFFFAOYSA-N -1 1 370.814 2.101 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)CCSC)cc1[N-]S(C)(=O)=O ZINC000737063954 673549130 /nfs/dbraw/zinc/54/91/30/673549130.db2.gz SAHKODXXCCZLHR-JTQLQIEISA-N -1 1 361.489 2.330 20 0 FEADMM Brc1ccc2ncc(CNC3(c4nnn[n-]4)CCCC3)n2c1 ZINC000541852589 673557578 /nfs/dbraw/zinc/55/75/78/673557578.db2.gz VUMHAWHUSOLBEO-UHFFFAOYSA-N -1 1 362.235 2.169 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC(F)C1 ZINC000542430054 673581469 /nfs/dbraw/zinc/58/14/69/673581469.db2.gz JDCYPMMANZUDKH-UHFFFAOYSA-N -1 1 352.362 2.420 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)CSCc3cccc(C)c3)nc2n1 ZINC000598892059 673619165 /nfs/dbraw/zinc/61/91/65/673619165.db2.gz CPRCGBGCADBYSR-UHFFFAOYSA-N -1 1 357.439 2.160 20 0 FEADMM COCCc1nc(=N[C@H](CN2CCCC2)c2ccc(OC)cc2)s[n-]1 ZINC000543434979 673646970 /nfs/dbraw/zinc/64/69/70/673646970.db2.gz YRFDCBATEDGPID-MRXNPFEDSA-N -1 1 362.499 2.407 20 0 FEADMM CCCn1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000742722460 673735728 /nfs/dbraw/zinc/73/57/28/673735728.db2.gz FPXWVXMLRIPQIX-UHFFFAOYSA-N -1 1 354.432 2.215 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)OC)c(F)cc1F)C1CC1 ZINC000600638183 673784319 /nfs/dbraw/zinc/78/43/19/673784319.db2.gz SLMDXGHTNFQRMD-CQSZACIVSA-N -1 1 363.382 2.308 20 0 FEADMM CC(C)[C@H](O)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000546200835 673796958 /nfs/dbraw/zinc/79/69/58/673796958.db2.gz FDMCUZRIMOTEML-LLVKDONJSA-N -1 1 363.195 2.134 20 0 FEADMM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cc(=O)n2[n-]cnc2n1 ZINC000546828581 673821475 /nfs/dbraw/zinc/82/14/75/673821475.db2.gz GGJZZYXIKGCAMI-UHFFFAOYSA-N -1 1 372.797 2.447 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601314756 673841635 /nfs/dbraw/zinc/84/16/35/673841635.db2.gz PIUJJHPRAHLGPU-ZIAGYGMSSA-N -1 1 361.410 2.126 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)CCC(C)(F)F)Cc2ccccc2C1 ZINC000601327967 673843044 /nfs/dbraw/zinc/84/30/44/673843044.db2.gz BBVPZHJGWCVIDM-UHFFFAOYSA-N -1 1 361.410 2.052 20 0 FEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc2ccccc21 ZINC000547560782 673863885 /nfs/dbraw/zinc/86/38/85/673863885.db2.gz GBXJSJZGEIJKCR-MRXNPFEDSA-N -1 1 362.451 2.057 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1C(N)=O ZINC000614827469 676192970 /nfs/dbraw/zinc/19/29/70/676192970.db2.gz VCUMWZAWVNVJRS-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CN1C(=O)C[C@@H](NC(=O)c2ncccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000547653896 673878402 /nfs/dbraw/zinc/87/84/02/673878402.db2.gz UMUHFYMLFVZDKB-MLGOLLRUSA-N -1 1 363.776 2.282 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCCC12OCCO2)c1cc(F)c(F)cc1F ZINC000746473228 673880619 /nfs/dbraw/zinc/88/06/19/673880619.db2.gz YFIFEKGUDDPQMB-CYBMUJFWSA-N -1 1 351.346 2.068 20 0 FEADMM COc1ccc(SCCCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000547721429 673884133 /nfs/dbraw/zinc/88/41/33/673884133.db2.gz UINCNULFQYIXAA-CYBMUJFWSA-N -1 1 361.471 2.487 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000615099155 676203248 /nfs/dbraw/zinc/20/32/48/676203248.db2.gz WHXOVPSWALHPAB-CQSZACIVSA-N -1 1 370.902 2.326 20 0 FEADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)ccc1N ZINC000818559574 675225065 /nfs/dbraw/zinc/22/50/65/675225065.db2.gz YTOHWRQGIZXCKF-UHFFFAOYSA-N -1 1 367.427 2.200 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@@H](C3CCC3)C2)c(=O)[n-]1 ZINC000566842546 675246772 /nfs/dbraw/zinc/24/67/72/675246772.db2.gz RMONADPINNORSH-CQSZACIVSA-N -1 1 351.472 2.173 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@]1(Cc2cccc(Cl)c2)CCOC1)c1nn[n-]n1 ZINC000568198396 675357710 /nfs/dbraw/zinc/35/77/10/675357710.db2.gz KKHXHNJHNPWERQ-YVEFUNNKSA-N -1 1 363.849 2.064 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccc(I)o1 ZINC000820403175 675360674 /nfs/dbraw/zinc/36/06/74/675360674.db2.gz RHZPLPYGRYJLIF-HYXAFXHYSA-N -1 1 359.123 2.273 20 0 FEADMM COC1([C@H](C)[N-]S(=O)(=O)c2nc3ccccc3s2)CCOCC1 ZINC000568388600 675370231 /nfs/dbraw/zinc/37/02/31/675370231.db2.gz IYUXQWMFJTUIKY-NSHDSACASA-N -1 1 356.469 2.159 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CCC[C@@H](F)C2)cc1[N-]S(C)(=O)=O ZINC000568860818 675406145 /nfs/dbraw/zinc/40/61/45/675406145.db2.gz JMIFOCRQOHTDOU-MNOVXSKESA-N -1 1 359.423 2.469 20 0 FEADMM CC(C)(C)n1cc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)cn1 ZINC000656556525 677774281 /nfs/dbraw/zinc/77/42/81/677774281.db2.gz WRHGNEQPUNVUEB-UHFFFAOYSA-N -1 1 365.484 2.382 20 0 FEADMM CC(C)(C)n1cc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)cn1 ZINC000656556525 677774284 /nfs/dbraw/zinc/77/42/84/677774284.db2.gz WRHGNEQPUNVUEB-UHFFFAOYSA-N -1 1 365.484 2.382 20 0 FEADMM Cc1c(Br)c(Cl)ncc1NC(=O)CCCc1nn[n-]n1 ZINC000821932721 675460393 /nfs/dbraw/zinc/46/03/93/675460393.db2.gz VOWSRUCJTSYJFG-UHFFFAOYSA-N -1 1 359.615 2.280 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)C(C)(C)C ZINC000656925179 677870289 /nfs/dbraw/zinc/87/02/89/677870289.db2.gz VXXNTRTZEZZOMN-JTQLQIEISA-N -1 1 351.266 2.184 20 0 FEADMM O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823299165 675543201 /nfs/dbraw/zinc/54/32/01/675543201.db2.gz KVQUHZUNUBFKCZ-UHFFFAOYSA-N -1 1 350.260 2.238 20 0 FEADMM O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823299165 675543203 /nfs/dbraw/zinc/54/32/03/675543203.db2.gz KVQUHZUNUBFKCZ-UHFFFAOYSA-N -1 1 350.260 2.238 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)c1nccs1 ZINC000656958850 677887032 /nfs/dbraw/zinc/88/70/32/677887032.db2.gz IOHOUZIVXGDLDC-QMMMGPOBSA-N -1 1 362.274 2.383 20 0 FEADMM CC(=O)OCCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824010886 675579573 /nfs/dbraw/zinc/57/95/73/675579573.db2.gz TUBIOQPJZJFIQZ-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CC(=O)OCCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824010886 675579578 /nfs/dbraw/zinc/57/95/78/675579578.db2.gz TUBIOQPJZJFIQZ-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1(CO)CC1 ZINC000657101387 677945320 /nfs/dbraw/zinc/94/53/20/677945320.db2.gz ZXUPNBAIPOLEEO-ZETCQYMHSA-N -1 1 370.215 2.167 20 0 FEADMM CCC[C@H](C(=O)OCC)n1ccc(NC([O-])=NO[C@H]2CCCCO2)n1 ZINC000824997614 675632718 /nfs/dbraw/zinc/63/27/18/675632718.db2.gz AFZACWHODSUUDY-OCCSQVGLSA-N -1 1 354.407 2.367 20 0 FEADMM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000824997614 675632719 /nfs/dbraw/zinc/63/27/19/675632719.db2.gz AFZACWHODSUUDY-OCCSQVGLSA-N -1 1 354.407 2.367 20 0 FEADMM Cn1ncc(C(F)(F)F)c1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000825762518 675667775 /nfs/dbraw/zinc/66/77/75/675667775.db2.gz NDAXARCEIABHBY-UHFFFAOYSA-N -1 1 372.313 2.329 20 0 FEADMM Cc1onc(CC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826343989 675686139 /nfs/dbraw/zinc/68/61/39/675686139.db2.gz UFPXFUVKGYYLNN-ZDUSSCGKSA-N -1 1 358.789 2.333 20 0 FEADMM Cc1onc(CC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826343989 675686142 /nfs/dbraw/zinc/68/61/42/675686142.db2.gz UFPXFUVKGYYLNN-ZDUSSCGKSA-N -1 1 358.789 2.333 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCSc3ccccc32)c1-c1nnn[n-]1 ZINC000826346569 675686909 /nfs/dbraw/zinc/68/69/09/675686909.db2.gz POFMPXWHJJZNAT-NSHDSACASA-N -1 1 356.411 2.059 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCSc3ccccc32)c1-c1nn[n-]n1 ZINC000826346569 675686910 /nfs/dbraw/zinc/68/69/10/675686910.db2.gz POFMPXWHJJZNAT-NSHDSACASA-N -1 1 356.411 2.059 20 0 FEADMM Cn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1C(F)F ZINC000826356638 675687178 /nfs/dbraw/zinc/68/71/78/675687178.db2.gz ZOLRFWOQYDFISL-UHFFFAOYSA-N -1 1 361.341 2.027 20 0 FEADMM CSCC[C@H](NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1nn[n-]n1 ZINC000826929377 675716422 /nfs/dbraw/zinc/71/64/22/675716422.db2.gz XRQODFUUOARFCU-LPEHRKFASA-N -1 1 367.397 2.000 20 0 FEADMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OC ZINC000827815208 675781007 /nfs/dbraw/zinc/78/10/07/675781007.db2.gz PVQKLTQUAJBPMW-SWLSCSKDSA-N -1 1 353.440 2.317 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)C(=O)OC(C)(C)C ZINC000828222062 675807430 /nfs/dbraw/zinc/80/74/30/675807430.db2.gz KOXYBRBVRMQALC-GJZGRUSLSA-N -1 1 357.472 2.414 20 0 FEADMM COc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccc1OC(F)F ZINC000605381396 675812181 /nfs/dbraw/zinc/81/21/81/675812181.db2.gz LJQDLXXGQBGJBL-UHFFFAOYSA-N -1 1 353.329 2.009 20 0 FEADMM O=C(CCCOc1ccc(F)cc1F)NC1(c2nn[n-]n2)CCCC1 ZINC000605381889 675812339 /nfs/dbraw/zinc/81/23/39/675812339.db2.gz FLSWDUTUXNPXNP-UHFFFAOYSA-N -1 1 351.357 2.223 20 0 FEADMM CC(C)Oc1ncc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1Cl ZINC000605381601 675812411 /nfs/dbraw/zinc/81/24/11/675812411.db2.gz DTUVZKBZWCSJFM-UHFFFAOYSA-N -1 1 350.810 2.235 20 0 FEADMM O=C(Nc1c([O-])cccc1F)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000605435033 675814933 /nfs/dbraw/zinc/81/49/33/675814933.db2.gz FJQMESGRLZMMSM-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM O=C(Cc1cccc(Br)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000605532658 675818272 /nfs/dbraw/zinc/81/82/72/675818272.db2.gz ZPDZYOWDCVGVAP-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM CCc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n[nH]1 ZINC000829318003 675875987 /nfs/dbraw/zinc/87/59/87/675875987.db2.gz CHQBKTMHVFQZQD-UHFFFAOYSA-N -1 1 357.819 2.111 20 0 FEADMM O=C(c1ccccc1OS(=O)(=O)c1c[n-]nc1Cl)N1CCCCC1 ZINC000829687553 675887497 /nfs/dbraw/zinc/88/74/97/675887497.db2.gz LIJMICXMVGMJBX-UHFFFAOYSA-N -1 1 369.830 2.457 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)Cc2ccc(Cl)cc2Cl)n[n-]1 ZINC000615919243 676233514 /nfs/dbraw/zinc/23/35/14/676233514.db2.gz BXOOFYSVCZNPSU-UHFFFAOYSA-N -1 1 357.197 2.147 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000615919243 676233516 /nfs/dbraw/zinc/23/35/16/676233516.db2.gz BXOOFYSVCZNPSU-UHFFFAOYSA-N -1 1 357.197 2.147 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)n[n-]1 ZINC000615916544 676233642 /nfs/dbraw/zinc/23/36/42/676233642.db2.gz CKRJIUSCCXPUCT-SNVBAGLBSA-N -1 1 366.805 2.027 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)n1 ZINC000615916544 676233643 /nfs/dbraw/zinc/23/36/43/676233643.db2.gz CKRJIUSCCXPUCT-SNVBAGLBSA-N -1 1 366.805 2.027 20 0 FEADMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000617172234 676272531 /nfs/dbraw/zinc/27/25/31/676272531.db2.gz NHUHKLRHTYIHFB-ZDUSSCGKSA-N -1 1 354.403 2.078 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@]12C[C@@H]1CCC2 ZINC000617198041 676274563 /nfs/dbraw/zinc/27/45/63/676274563.db2.gz QLSWQBNFQYXGQP-XPTSAGLGSA-N -1 1 363.266 2.331 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2F)C(C)C)co1 ZINC000617993346 676315156 /nfs/dbraw/zinc/31/51/56/676315156.db2.gz PNNBGPGAXXUWNN-HNNXBMFYSA-N -1 1 354.403 2.454 20 0 FEADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CS1(=O)=O ZINC000618324000 676333131 /nfs/dbraw/zinc/33/31/31/676333131.db2.gz PUBHKAXNHZXCPX-SCZZXKLOSA-N -1 1 351.346 2.107 20 0 FEADMM CCn1ncc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000618441355 676339853 /nfs/dbraw/zinc/33/98/53/676339853.db2.gz DUUSWIFPEXRYSQ-UHFFFAOYSA-N -1 1 354.432 2.134 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(Br)cc1 ZINC000618488213 676342342 /nfs/dbraw/zinc/34/23/42/676342342.db2.gz NWCPPWCRZWQCRS-ZDUSSCGKSA-N -1 1 358.199 2.482 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CC2(F)F)o1 ZINC000618602488 676345701 /nfs/dbraw/zinc/34/57/01/676345701.db2.gz FUPXGLKUTHGPTQ-CYBMUJFWSA-N -1 1 350.387 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)co1 ZINC000619099957 676363573 /nfs/dbraw/zinc/36/35/73/676363573.db2.gz ATKMEZUCWVZLDM-STQMWFEESA-N -1 1 370.471 2.044 20 0 FEADMM CN(C1CC1)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1 ZINC000621306054 676452323 /nfs/dbraw/zinc/45/23/23/676452323.db2.gz PTVWJHXFHDSIKX-UHFFFAOYSA-N -1 1 369.231 2.470 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)nc2n1 ZINC000622871666 676509107 /nfs/dbraw/zinc/50/91/07/676509107.db2.gz DBWBXHTUTGUKHT-SNVBAGLBSA-N -1 1 361.789 2.094 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)COc3cc(C)c(Cl)c(C)c3)nc2n1 ZINC000622870781 676509165 /nfs/dbraw/zinc/50/91/65/676509165.db2.gz GTAAYTJONBRRKY-UHFFFAOYSA-N -1 1 361.789 2.014 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Cc3cccc(Cl)c3)nc2n1 ZINC000622994720 676514635 /nfs/dbraw/zinc/51/46/35/676514635.db2.gz ZOJGJZHQFQFNJG-JTQLQIEISA-N -1 1 359.817 2.451 20 0 FEADMM CCCc1sc(C(=O)Nc2nc3nc(CC)cc(=O)n3[n-]2)cc1CC ZINC000622995577 676514787 /nfs/dbraw/zinc/51/47/87/676514787.db2.gz HCMCIRZADZWRJF-UHFFFAOYSA-N -1 1 359.455 2.231 20 0 FEADMM CC1(C)C[C@@H](S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CO1 ZINC000624990234 676608668 /nfs/dbraw/zinc/60/86/68/676608668.db2.gz JDYQRSKFMVDDRB-MRXNPFEDSA-N -1 1 367.467 2.184 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1)C1CC1 ZINC000625229854 676630646 /nfs/dbraw/zinc/63/06/46/676630646.db2.gz ZLAOKFMHVBAXNW-SNVBAGLBSA-N -1 1 365.402 2.121 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)c(F)c1 ZINC000677807099 679698942 /nfs/dbraw/zinc/69/89/42/679698942.db2.gz FGEUDGIMNHASID-MRVPVSSYSA-N -1 1 360.386 2.254 20 0 FEADMM CCn1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c(C)n1 ZINC000626473023 676707499 /nfs/dbraw/zinc/70/74/99/676707499.db2.gz VVCZAHRIBZUDCX-CYBMUJFWSA-N -1 1 363.784 2.036 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000626748250 676720602 /nfs/dbraw/zinc/72/06/02/676720602.db2.gz IMQLKHNQDNFUAI-UHOFOFEASA-N -1 1 351.422 2.181 20 0 FEADMM CN(C)[C@H](CC(=O)N=c1nc(C2CCOCC2)[n-]s1)c1ccccc1 ZINC000629103461 676831157 /nfs/dbraw/zinc/83/11/57/676831157.db2.gz DTOHCOALNZPHGX-OAHLLOKOSA-N -1 1 360.483 2.486 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2cc(OC)cc(OC)c2)CCOCC1 ZINC000629282080 676839746 /nfs/dbraw/zinc/83/97/46/676839746.db2.gz HDDJGDNRWFJUHX-UHFFFAOYSA-N -1 1 359.444 2.031 20 0 FEADMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000629285736 676840328 /nfs/dbraw/zinc/84/03/28/676840328.db2.gz YKGYDSVWOZPJRJ-HNNXBMFYSA-N -1 1 355.435 2.175 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cnc1OC ZINC000629315287 676845297 /nfs/dbraw/zinc/84/52/97/676845297.db2.gz OWFGNCOVGOWHQE-UHFFFAOYSA-N -1 1 366.395 2.215 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C[C@@H]2OCc3cc(Cl)ccc32)CC1 ZINC000630221150 676887745 /nfs/dbraw/zinc/88/77/45/676887745.db2.gz UPCBKLHAJGNJHU-LRDDRELGSA-N -1 1 366.845 2.309 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000630222433 676887982 /nfs/dbraw/zinc/88/79/82/676887982.db2.gz NQLZMGNHYZYCEY-UHFFFAOYSA-N -1 1 355.232 2.070 20 0 FEADMM CCOc1ccc(SCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC000630225093 676888206 /nfs/dbraw/zinc/88/82/06/676888206.db2.gz DMBYOFOMOKHWSF-UHFFFAOYSA-N -1 1 366.483 2.185 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000630225311 676888292 /nfs/dbraw/zinc/88/82/92/676888292.db2.gz QSAVSFQQMVFEFV-KWCYVHTRSA-N -1 1 352.381 2.076 20 0 FEADMM COc1ccccc1CN(Cc1cccs1)C(=O)CCc1nn[n-]n1 ZINC000630693188 676917054 /nfs/dbraw/zinc/91/70/54/676917054.db2.gz LVICFBJUKKHBIT-UHFFFAOYSA-N -1 1 357.439 2.431 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000631547356 676947839 /nfs/dbraw/zinc/94/78/39/676947839.db2.gz SKZPCRORGLFSBD-OAHLLOKOSA-N -1 1 350.827 2.349 20 0 FEADMM O=C(CCc1nn[n-]n1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000631659681 676950657 /nfs/dbraw/zinc/95/06/57/676950657.db2.gz FHCNLGOJOKJZPC-UHFFFAOYSA-N -1 1 364.620 2.288 20 0 FEADMM COc1ccc(COCCC[N-]S(=O)(=O)c2cc(C)ns2)cc1 ZINC000631890474 676962240 /nfs/dbraw/zinc/96/22/40/676962240.db2.gz PTSOQNFXTFFRRO-UHFFFAOYSA-N -1 1 356.469 2.345 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000632141125 676978126 /nfs/dbraw/zinc/97/81/26/676978126.db2.gz KVBJEFRDFMTFOK-MAZHCROVSA-N -1 1 353.440 2.027 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)sn1 ZINC000632261683 676984307 /nfs/dbraw/zinc/98/43/07/676984307.db2.gz WOUMQUAHTNPPNI-CYBMUJFWSA-N -1 1 357.501 2.054 20 0 FEADMM O=S(=O)([N-][C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccc(C(F)F)o1 ZINC000632347227 676989474 /nfs/dbraw/zinc/98/94/74/676989474.db2.gz LSRKVEFTVAWXMV-GXFFZTMASA-N -1 1 365.398 2.206 20 0 FEADMM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCO1 ZINC000632411000 676992654 /nfs/dbraw/zinc/99/26/54/676992654.db2.gz RRQDAPZCMZCSBN-UWVGGRQHSA-N -1 1 355.382 2.158 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)[C@H](C)O1 ZINC000632488146 676997261 /nfs/dbraw/zinc/99/72/61/676997261.db2.gz JAJYQLJWIBUQPP-XIJZCFGVSA-N -1 1 353.785 2.011 20 0 FEADMM Cn1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3sccc3Cl)CCO2)cn1 ZINC000632532293 677000323 /nfs/dbraw/zinc/00/03/23/677000323.db2.gz WVELKMOHRPJJOX-ZYHUDNBSSA-N -1 1 361.876 2.334 20 0 FEADMM Cc1csc(S(=O)(=O)[N-]CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC000829893688 677016803 /nfs/dbraw/zinc/01/68/03/677016803.db2.gz YANMWMSTIWHVSB-UHFFFAOYSA-N -1 1 370.443 2.495 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)c1cccc(Cl)c1 ZINC000830745656 677058820 /nfs/dbraw/zinc/05/88/20/677058820.db2.gz RBIRATVRHIUFAU-SNVBAGLBSA-N -1 1 350.227 2.383 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)[C@H](O)c1c(F)cccc1Cl ZINC000830759877 677059364 /nfs/dbraw/zinc/05/93/64/677059364.db2.gz JAARIWYVQVMAFZ-KGFZYKRKSA-N -1 1 368.217 2.256 20 0 FEADMM CCO[C@H](C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)C1CCCC1 ZINC000830783981 677060302 /nfs/dbraw/zinc/06/03/02/677060302.db2.gz BVOYIXJWGGOCNE-SWLSCSKDSA-N -1 1 350.381 2.251 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC000830784170 677060396 /nfs/dbraw/zinc/06/03/96/677060396.db2.gz ILRTYSQTIRPPQD-WFASDCNBSA-N -1 1 362.392 2.395 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2sc3ncccc3c2N)C1 ZINC000830789215 677060519 /nfs/dbraw/zinc/06/05/19/677060519.db2.gz HPAMWXFVCAYADL-AWEZNQCLSA-N -1 1 372.372 2.162 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@H]2OCc3ccccc32)C1 ZINC000830789627 677060540 /nfs/dbraw/zinc/06/05/40/677060540.db2.gz KDSNMDPTGAIDJK-CZUORRHYSA-N -1 1 356.344 2.318 20 0 FEADMM Cn1c(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc2ccccc21 ZINC000830828266 677063644 /nfs/dbraw/zinc/06/36/44/677063644.db2.gz QXRHUXSVTYFXRY-MRXNPFEDSA-N -1 1 353.344 2.461 20 0 FEADMM Cn1c(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc2ccccc21 ZINC000830828265 677063656 /nfs/dbraw/zinc/06/36/56/677063656.db2.gz QXRHUXSVTYFXRY-INIZCTEOSA-N -1 1 353.344 2.461 20 0 FEADMM CCO[C@H](C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000830828571 677063715 /nfs/dbraw/zinc/06/37/15/677063715.db2.gz RUEFOTPTTQHRIW-BBRMVZONSA-N -1 1 358.360 2.434 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000635019541 677087503 /nfs/dbraw/zinc/08/75/03/677087503.db2.gz CORQTRJSWYLHHR-CRAIPNDOSA-N -1 1 366.845 2.259 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000635020995 677087592 /nfs/dbraw/zinc/08/75/92/677087592.db2.gz VEEOHINWOUJTKC-QGZVFWFLSA-N -1 1 351.353 2.074 20 0 FEADMM O=C(CCCc1nn[n-]n1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000635166519 677091599 /nfs/dbraw/zinc/09/15/99/677091599.db2.gz VFNKCBZCEDNPCX-UHFFFAOYSA-N -1 1 357.443 2.371 20 0 FEADMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC000635220970 677093036 /nfs/dbraw/zinc/09/30/36/677093036.db2.gz VOUKQTHAAFRNTJ-ZDUSSCGKSA-N -1 1 362.865 2.081 20 0 FEADMM C[C@H](Cc1ccc(Br)cc1)NC(=O)CCCc1nn[n-]n1 ZINC000635331736 677095905 /nfs/dbraw/zinc/09/59/05/677095905.db2.gz XQYAWXNXHBQRSP-SNVBAGLBSA-N -1 1 352.236 2.032 20 0 FEADMM C[C@H](CCc1ccc(Br)cc1)NC(=O)CCCc1nn[n-]n1 ZINC000635409666 677098027 /nfs/dbraw/zinc/09/80/27/677098027.db2.gz QUWVBCTVOWUQHT-LLVKDONJSA-N -1 1 366.263 2.422 20 0 FEADMM O=C(CCCc1nn[n-]n1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000635805698 677107075 /nfs/dbraw/zinc/10/70/75/677107075.db2.gz FNYPKWWVMNVNRI-UHFFFAOYSA-N -1 1 369.256 2.178 20 0 FEADMM O=C(CCCc1nn[n-]n1)N1CCc2cc(F)cc(Br)c2C1 ZINC000636290745 677116902 /nfs/dbraw/zinc/11/69/02/677116902.db2.gz 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O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000644172284 677238863 /nfs/dbraw/zinc/23/88/63/677238863.db2.gz DJFPPOFWOCVOBG-GFCCVEGCSA-N -1 1 356.344 2.496 20 0 FEADMM O=C(CCc1cncs1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000645984757 677276388 /nfs/dbraw/zinc/27/63/88/677276388.db2.gz BEAOOTJGCGCTAR-CYBMUJFWSA-N -1 1 366.809 2.287 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cncc2ccccc21)C1CCOCC1 ZINC000647129178 677295819 /nfs/dbraw/zinc/29/58/19/677295819.db2.gz HLPPDPKBXUPJER-KRWDZBQOSA-N -1 1 350.440 2.418 20 0 FEADMM O=S(=O)([N-]CCO[C@H]1CCCCO1)c1sccc1Br ZINC000647885571 677307493 /nfs/dbraw/zinc/30/74/93/677307493.db2.gz XTKYHQAMIPOMFK-JTQLQIEISA-N -1 1 370.290 2.332 20 0 FEADMM Cc1sc(N[C@@H](C)CN2CCN(c3ccccc3)CC2)nc1C(=O)[O-] ZINC000649391853 677330491 /nfs/dbraw/zinc/33/04/91/677330491.db2.gz FEGICKAITKJGNN-ZDUSSCGKSA-N -1 1 360.483 2.772 20 0 FEADMM CCCc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)no1 ZINC000649544719 677332530 /nfs/dbraw/zinc/33/25/30/677332530.db2.gz 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20 0 FEADMM C[C@H](CSCc1ccccc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472749 691492225 /nfs/dbraw/zinc/49/22/25/691492225.db2.gz CESPNZLPJWLTPP-TZMCWYRMSA-N -1 1 363.512 2.386 20 0 FEADMM O=C(CCc1ccc(Cl)c(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472102 691492284 /nfs/dbraw/zinc/49/22/84/691492284.db2.gz LNBPMYFYILLKSV-GFCCVEGCSA-N -1 1 355.826 2.242 20 0 FEADMM CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478706 691496220 /nfs/dbraw/zinc/49/62/20/691496220.db2.gz YFYWYQKKXNXFIC-VXGBXAGGSA-N -1 1 367.862 2.327 20 0 FEADMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3ccc(Br)o3)C2)CO1 ZINC000907727281 691547660 /nfs/dbraw/zinc/54/76/60/691547660.db2.gz SLIANUFVHGBMSU-QTZUAFFRSA-N -1 1 350.234 2.278 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C)c2)[n-]c1=O ZINC000908015243 691598389 /nfs/dbraw/zinc/59/83/89/691598389.db2.gz AINZXFVCGUCNCA-CYBMUJFWSA-N -1 1 367.402 2.164 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2C)[n-]c1=O ZINC000908012646 691598477 /nfs/dbraw/zinc/59/84/77/691598477.db2.gz NTHOLPZFVVROGO-ZDUSSCGKSA-N -1 1 363.439 2.333 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C)[n-]c1=O ZINC000908016115 691598886 /nfs/dbraw/zinc/59/88/86/691598886.db2.gz JLKPXCZHKQBCHE-GFCCVEGCSA-N -1 1 367.402 2.164 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)CCC(C)(C)C2CC2)[n-]c1=O ZINC000908019094 691600111 /nfs/dbraw/zinc/60/01/11/691600111.db2.gz WERICPFMNRDHJU-CYBMUJFWSA-N -1 1 369.487 2.484 20 0 FEADMM Cn1cc([C@@]2(C[N-]S(=O)(=O)c3sccc3Cl)CCCO2)cn1 ZINC000908109409 691616029 /nfs/dbraw/zinc/61/60/29/691616029.db2.gz PNTUDBALNHZWRD-ZDUSSCGKSA-N -1 1 361.876 2.119 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C[C@@H](C)[S@]1=O ZINC000908143544 691624269 /nfs/dbraw/zinc/62/42/69/691624269.db2.gz BWIWOVBPCVFFAK-UTDUZKHQSA-N -1 1 350.415 2.451 20 0 FEADMM COc1cnc([C@@H]2CCCN2c2nnc([C@H]3CCCS3)n2C)[n-]c1=O ZINC000908578878 691701187 /nfs/dbraw/zinc/70/11/87/691701187.db2.gz MGYYLGOLZXHOEC-CMPLNLGQSA-N -1 1 362.459 2.229 20 0 FEADMM Cn1nnc2c1C[C@@H](C(=O)Nc1cccc([O-])c1Br)CC2 ZINC000908708561 691716179 /nfs/dbraw/zinc/71/61/79/691716179.db2.gz YQZFEUKEPACCGQ-QMMMGPOBSA-N -1 1 351.204 2.027 20 0 FEADMM CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc([O-])c1Br ZINC000908709123 691716334 /nfs/dbraw/zinc/71/63/34/691716334.db2.gz KAJDPZCNSZPPHW-UHFFFAOYSA-N -1 1 350.234 2.307 20 0 FEADMM CCOC(=O)[C@H](CC(=O)Nc1cccc([O-])c1Br)C(C)=O ZINC000908708596 691716381 /nfs/dbraw/zinc/71/63/81/691716381.db2.gz ZWNUZCFBBLMPPF-SECBINFHSA-N -1 1 358.188 2.252 20 0 FEADMM O=C(CNC(=O)OCC(F)(F)F)Nc1cccc([O-])c1Br ZINC000908716692 691717455 /nfs/dbraw/zinc/71/74/55/691717455.db2.gz KXLLBZMLHRBSFG-UHFFFAOYSA-N -1 1 371.109 2.382 20 0 FEADMM CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])c1cccs1 ZINC000908746926 691721658 /nfs/dbraw/zinc/72/16/58/691721658.db2.gz KMEQCHOUCLXTFL-RMRHIDDWSA-N -1 1 351.472 2.246 20 0 FEADMM O=C([O-])[C@H](CF)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000908767243 691726143 /nfs/dbraw/zinc/72/61/43/691726143.db2.gz ATDBUOORLZYBJT-AWEZNQCLSA-N -1 1 357.813 2.026 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1ccsc1 ZINC000908814275 691734086 /nfs/dbraw/zinc/73/40/86/691734086.db2.gz QCLKKFBFSBILPF-VHSXEESVSA-N -1 1 353.366 2.056 20 0 FEADMM CN(C)[C@H](CNC(=O)N(CC(=O)[O-])C1CCCC1)c1ccc(F)cc1 ZINC000908820464 691735470 /nfs/dbraw/zinc/73/54/70/691735470.db2.gz RTMZXXQFIFFSKO-MRXNPFEDSA-N -1 1 351.422 2.467 20 0 FEADMM CN1CCCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908910152 691751358 /nfs/dbraw/zinc/75/13/58/691751358.db2.gz GGLVRXBLQRVSBA-QWHCGFSZSA-N -1 1 355.232 2.175 20 0 FEADMM CC[C@@](COC)(NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909123800 691781926 /nfs/dbraw/zinc/78/19/26/691781926.db2.gz ZTAGIGPMRIXPLA-YOEHRIQHSA-N -1 1 371.865 2.122 20 0 FEADMM CC(C)(CN1CCOCC1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909226850 691797145 /nfs/dbraw/zinc/79/71/45/691797145.db2.gz XVBUNNLDLQQHNP-UHFFFAOYSA-N -1 1 366.483 2.301 20 0 FEADMM O=C([O-])[C@]1(NC(=O)c2n[nH]c3ccc(Br)cc32)CCSC1 ZINC000909352404 691810926 /nfs/dbraw/zinc/81/09/26/691810926.db2.gz PFMRRQKAEAFWCB-ZDUSSCGKSA-N -1 1 370.228 2.016 20 0 FEADMM CN(CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000909369925 691813443 /nfs/dbraw/zinc/81/34/43/691813443.db2.gz HKLLLWHVOFXWJA-ZIAGYGMSSA-N -1 1 356.875 2.409 20 0 FEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000909390935 691816772 /nfs/dbraw/zinc/81/67/72/691816772.db2.gz LNKCJOSMJXYUNI-IINYFYTJSA-N -1 1 360.838 2.158 20 0 FEADMM Cc1cccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1Br ZINC000909729699 691850003 /nfs/dbraw/zinc/85/00/03/691850003.db2.gz VSUNOXWUKDCSFX-CYBMUJFWSA-N -1 1 369.259 2.170 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000909765212 691853139 /nfs/dbraw/zinc/85/31/39/691853139.db2.gz RWHZJRNEAAVXCQ-SNVBAGLBSA-N -1 1 359.226 2.216 20 0 FEADMM O=C([O-])C12CC(C1)CN2C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000909950077 691875855 /nfs/dbraw/zinc/87/58/55/691875855.db2.gz YWKSVNNSUBRIET-UHFFFAOYSA-N -1 1 350.172 2.015 20 0 FEADMM O=C([O-])c1sc2c(c1Br)CN(C(=O)CN1CCCC1)C2 ZINC000910168331 691896209 /nfs/dbraw/zinc/89/62/09/691896209.db2.gz SIJYSVLJPHNUJF-UHFFFAOYSA-N -1 1 359.245 2.147 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(C)(C)c2ccc(F)cc2F)CC1 ZINC000910174245 691896665 /nfs/dbraw/zinc/89/66/65/691896665.db2.gz DCHFYOARNGBIGR-LBPRGKRZSA-N -1 1 354.397 2.250 20 0 FEADMM COCC(C)(C)N1CCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000910300565 691913339 /nfs/dbraw/zinc/91/33/39/691913339.db2.gz XKBVOFDZEZKHSO-UHFFFAOYSA-N -1 1 361.364 2.346 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1F ZINC001465114199 804139928 /nfs/dbraw/zinc/13/99/28/804139928.db2.gz DTRROPNVWWJJRG-BXKDBHETSA-N -1 1 369.336 2.229 20 0 FEADMM COc1ccc([C@H](NC(=O)CN(C)CCc2ccccc2)C(=O)[O-])cc1 ZINC000909329667 939396362 /nfs/dbraw/zinc/39/63/62/939396362.db2.gz WJIXHISPWDMMOT-IBGZPJMESA-N -1 1 356.422 2.112 20 0 FEADMM O=C([O-])[C@H](NC(=O)C1CCC(N2CCOCC2)CC1)C1CCCCCC1 ZINC000911781166 939781836 /nfs/dbraw/zinc/78/18/36/939781836.db2.gz LUYJDWSKGBKGQC-DAWZGUTISA-N -1 1 366.502 2.417 20 0 FEADMM C[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000663143087 939858473 /nfs/dbraw/zinc/85/84/73/939858473.db2.gz GWOYOBZTYRWWNV-INIZCTEOSA-N -1 1 374.481 2.080 20 0 FEADMM COc1cc(NC(=O)[C@H]2CCCC[C@H]2OC)ccc1[N-]S(C)(=O)=O ZINC000549318013 674033213 /nfs/dbraw/zinc/03/32/13/674033213.db2.gz RESJBGNPOQJGFA-GXTWGEPZSA-N -1 1 356.444 2.210 20 0 FEADMM Cn1cc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)n1 ZINC000567870148 675331568 /nfs/dbraw/zinc/33/15/68/675331568.db2.gz ULJSCCMFDANLSU-UHFFFAOYSA-N -1 1 372.244 2.308 20 0 FEADMM CSc1nc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c2ccccn21 ZINC000549712834 674058804 /nfs/dbraw/zinc/05/88/04/674058804.db2.gz GXGKTCPCDLBNER-UHFFFAOYSA-N -1 1 359.411 2.165 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(NC(C)=O)cc2)c(=O)[n-]1 ZINC000014180624 539597900 /nfs/dbraw/zinc/59/79/00/539597900.db2.gz ZCOFYLJSZHVGCI-UHFFFAOYSA-N -1 1 360.439 2.330 20 0 FEADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc[nH]n2)cc1 ZINC000023141996 539707645 /nfs/dbraw/zinc/70/76/45/539707645.db2.gz FJUDHUCQJYKCMV-UHFFFAOYSA-N -1 1 359.415 2.153 20 0 FEADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2o1 ZINC000029855387 539866835 /nfs/dbraw/zinc/86/68/35/539866835.db2.gz LDUKYIMCKCYDDB-UHFFFAOYSA-N -1 1 362.363 2.083 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000030565950 539885698 /nfs/dbraw/zinc/88/56/98/539885698.db2.gz SOBSHXDPBQVRFY-RKDXNWHRSA-N -1 1 354.350 2.039 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000031721044 539916752 /nfs/dbraw/zinc/91/67/52/539916752.db2.gz OXSXASYWRNHCDJ-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n1 ZINC000031721249 539917104 /nfs/dbraw/zinc/91/71/04/539917104.db2.gz WBGJNVDOIPYAGD-UHFFFAOYSA-N -1 1 350.444 2.333 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000032587804 539943197 /nfs/dbraw/zinc/94/31/97/539943197.db2.gz XGIGJRUONASAJI-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1F ZINC000032589151 539943204 /nfs/dbraw/zinc/94/32/04/539943204.db2.gz CPEPZDYBEVTJLJ-VIFPVBQESA-N -1 1 366.370 2.355 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000032595822 539944118 /nfs/dbraw/zinc/94/41/18/539944118.db2.gz LTBUMHRLTBUFOL-UHFFFAOYSA-N -1 1 369.370 2.187 20 0 FEADMM CC1=NC(=S)N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C1C(=O)OC(C)C ZINC000032813636 539954339 /nfs/dbraw/zinc/95/43/39/539954339.db2.gz VSQZDYSCGHNVJT-ZDUSSCGKSA-N -1 1 351.384 2.045 20 0 FEADMM O=S(=O)([N-]N=c1nccc[nH]1)c1c(Cl)cccc1Br ZINC000800833250 674080305 /nfs/dbraw/zinc/08/03/05/674080305.db2.gz ZMTVBAOTNBUBPE-UHFFFAOYSA-N -1 1 363.624 2.198 20 0 FEADMM COc1cc(NC(=O)CSc2ccncc2)ccc1[N-]S(C)(=O)=O ZINC000033067356 539966221 /nfs/dbraw/zinc/96/62/21/539966221.db2.gz LLEIIAJTMQSECJ-UHFFFAOYSA-N -1 1 367.452 2.193 20 0 FEADMM CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000800844060 674082195 /nfs/dbraw/zinc/08/21/95/674082195.db2.gz BCCDPYAHPKFZKF-UHFFFAOYSA-N -1 1 360.775 2.398 20 0 FEADMM COc1cccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000042091326 540050400 /nfs/dbraw/zinc/05/04/00/540050400.db2.gz HKZYFMFGQBCYLN-UHFFFAOYSA-N -1 1 350.378 2.330 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000043751394 540108824 /nfs/dbraw/zinc/10/88/24/540108824.db2.gz UFVAJOWTIQTMGA-MRVPVSSYSA-N -1 1 373.360 2.376 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)c(F)c1 ZINC000800974578 674095658 /nfs/dbraw/zinc/09/56/58/674095658.db2.gz KQZPNFGHGNGZBG-CQSZACIVSA-N -1 1 357.382 2.063 20 0 FEADMM Cc1nc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cs1 ZINC000053933054 540560367 /nfs/dbraw/zinc/56/03/67/540560367.db2.gz TXSZTBCEWBASGK-UHFFFAOYSA-N -1 1 357.457 2.051 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2nnc(C(C)C)s2)c(=O)[n-]1 ZINC000054706369 540603911 /nfs/dbraw/zinc/60/39/11/540603911.db2.gz MOVSFIVNGRQRMO-UHFFFAOYSA-N -1 1 353.473 2.346 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1C(N)=O ZINC000055589797 540661738 /nfs/dbraw/zinc/66/17/38/540661738.db2.gz IWZIUBKJBGRXFN-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1OC ZINC000055631804 540665641 /nfs/dbraw/zinc/66/56/41/540665641.db2.gz ZWGQAHRPLSHSML-UHFFFAOYSA-N -1 1 363.395 2.064 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)cc1 ZINC000055616729 540664041 /nfs/dbraw/zinc/66/40/41/540664041.db2.gz KKHNWFIQIDWBTD-UHFFFAOYSA-N -1 1 361.423 2.196 20 0 FEADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000055638713 540667045 /nfs/dbraw/zinc/66/70/45/540667045.db2.gz OTJJBIIVGHIWFA-UHFFFAOYSA-N -1 1 361.423 2.325 20 0 FEADMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)cc1 ZINC000056498001 540730495 /nfs/dbraw/zinc/73/04/95/540730495.db2.gz QMOAOVJIIQMKFE-CYBMUJFWSA-N -1 1 356.375 2.013 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000057784134 540815146 /nfs/dbraw/zinc/81/51/46/540815146.db2.gz OPASGARDWHZAAU-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCc1c(F)cccc1F ZINC000058489826 540845385 /nfs/dbraw/zinc/84/53/85/540845385.db2.gz TWYRWHRIMLEAIN-UHFFFAOYSA-N -1 1 372.375 2.390 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1 ZINC000058497630 540845834 /nfs/dbraw/zinc/84/58/34/540845834.db2.gz WZRDNOQVJXFMHZ-UHFFFAOYSA-N -1 1 367.448 2.235 20 0 FEADMM Cc1noc(-c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)n1 ZINC000062578975 541151577 /nfs/dbraw/zinc/15/15/77/541151577.db2.gz IHYBDXQFYNQHTJ-UHFFFAOYSA-N -1 1 371.378 2.015 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)cc1 ZINC000064477501 541207424 /nfs/dbraw/zinc/20/74/24/541207424.db2.gz IQPRGKYRMCKZQG-UHFFFAOYSA-N -1 1 361.423 2.243 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)n[n-]c1=S ZINC000066636155 541351441 /nfs/dbraw/zinc/35/14/41/541351441.db2.gz DOYOCBKUENQJCI-AWEZNQCLSA-N -1 1 373.482 2.247 20 0 FEADMM Cn1c(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n[n-]c1=S ZINC000066625422 541349595 /nfs/dbraw/zinc/34/95/95/541349595.db2.gz LOZBSBGMQWZONT-UHFFFAOYSA-N -1 1 372.429 2.221 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)CSC)c1 ZINC000066928639 541396043 /nfs/dbraw/zinc/39/60/43/541396043.db2.gz IXDLVDLPSUHTPQ-LLVKDONJSA-N -1 1 360.501 2.360 20 0 FEADMM O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1csc(=NC2CC2)[n-]1 ZINC000542431976 541404058 /nfs/dbraw/zinc/40/40/58/541404058.db2.gz UBLONAFSYWDLFI-ZDUSSCGKSA-N -1 1 357.439 2.038 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000067070478 541413058 /nfs/dbraw/zinc/41/30/58/541413058.db2.gz LGJVLRIFLCRRGP-CYBMUJFWSA-N -1 1 361.402 2.224 20 0 FEADMM COc1ccc(SCCC(=O)NCCc2n[n-]c(=S)n2C)cc1 ZINC000067070074 541413210 /nfs/dbraw/zinc/41/32/10/541413210.db2.gz CZGDAVGRNPCQHW-UHFFFAOYSA-N -1 1 352.485 2.327 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n[n-]c1=S ZINC000067071541 541413856 /nfs/dbraw/zinc/41/38/56/541413856.db2.gz HTAHAILRQYEPFY-QGZVFWFLSA-N -1 1 360.439 2.310 20 0 FEADMM CNC(=O)c1ccc(C=CC(=O)NCCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000067074398 541413977 /nfs/dbraw/zinc/41/39/77/541413977.db2.gz XAFACKQBQIFXJI-RMKNXTFCSA-N -1 1 373.482 2.253 20 0 FEADMM CCn1c(CCNC(=O)C=Cc2ccc(OC)cc2OC)n[n-]c1=S ZINC000067078325 541414659 /nfs/dbraw/zinc/41/46/59/541414659.db2.gz NLJDLRKIUMMHOX-SOFGYWHQSA-N -1 1 362.455 2.350 20 0 FEADMM COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000067116487 541419438 /nfs/dbraw/zinc/41/94/38/541419438.db2.gz ZCKLNPPDTOVHFP-ZDUSSCGKSA-N -1 1 356.831 2.028 20 0 FEADMM CCc1nc(CN(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)cs1 ZINC000067769867 541511280 /nfs/dbraw/zinc/51/12/80/541511280.db2.gz LCIAIIWOGMGZIZ-UHFFFAOYSA-N -1 1 366.512 2.410 20 0 FEADMM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426990 541590111 /nfs/dbraw/zinc/59/01/11/541590111.db2.gz IEFRLOATHRXEOX-GXTWGEPZSA-N -1 1 368.503 2.158 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@H](C)O)cc1 ZINC000098078111 209204971 /nfs/dbraw/zinc/20/49/71/209204971.db2.gz VFJWRDMBVGWUBP-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC000068452683 541594334 /nfs/dbraw/zinc/59/43/34/541594334.db2.gz OHDQQPNBNGZESW-GXTWGEPZSA-N -1 1 368.503 2.251 20 0 FEADMM COC(=O)CCCC[N-]S(=O)(=O)c1sccc1Br ZINC000069044135 541652635 /nfs/dbraw/zinc/65/26/35/541652635.db2.gz NLJSEGNPIVAFIJ-UHFFFAOYSA-N -1 1 356.263 2.132 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1OC ZINC000071092354 541763428 /nfs/dbraw/zinc/76/34/28/541763428.db2.gz OYIBRAOYGLZLTK-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM CCCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374132 674124792 /nfs/dbraw/zinc/12/47/92/674124792.db2.gz AQNMLZHOBKYCJH-JTQLQIEISA-N -1 1 351.790 2.303 20 0 FEADMM O=C(NCCc1cnn(-c2ccccc2)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000074273447 542061951 /nfs/dbraw/zinc/06/19/51/542061951.db2.gz UMWNNQBACBTSSN-UHFFFAOYSA-N -1 1 359.389 2.081 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1coc2ccccc12 ZINC000074666567 542110411 /nfs/dbraw/zinc/11/04/11/542110411.db2.gz BGGZUEZSLURIIM-UHFFFAOYSA-N -1 1 350.378 2.245 20 0 FEADMM CCOCc1ccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000075357109 542173371 /nfs/dbraw/zinc/17/33/71/542173371.db2.gz JGRVRCCVWBQBCF-UHFFFAOYSA-N -1 1 354.410 2.357 20 0 FEADMM Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(C)n1C1CCCCC1 ZINC000076430994 542278677 /nfs/dbraw/zinc/27/86/77/542278677.db2.gz KEUWJNBEYXTJSZ-UHFFFAOYSA-N -1 1 365.459 2.384 20 0 FEADMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(C)n1C1CCCCC1 ZINC000076430994 542278681 /nfs/dbraw/zinc/27/86/81/542278681.db2.gz KEUWJNBEYXTJSZ-UHFFFAOYSA-N -1 1 365.459 2.384 20 0 FEADMM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000007728273 207204893 /nfs/dbraw/zinc/20/48/93/207204893.db2.gz YUWKYKZBTCMYIL-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM O=C(NCCCOC[C@@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000076948632 542333070 /nfs/dbraw/zinc/33/30/70/542333070.db2.gz SJOFTPQDDXCYHV-LBPRGKRZSA-N -1 1 358.232 2.470 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000032585470 208032239 /nfs/dbraw/zinc/03/22/39/208032239.db2.gz ACTSSFBYGMOXHV-UHFFFAOYSA-N -1 1 360.435 2.268 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000064467957 208613411 /nfs/dbraw/zinc/61/34/11/208613411.db2.gz QWPHEPYFVQRDSR-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM Cc1nc(-c2ccc(N3CC(=O)N(C(C)C)C(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000078518029 542465432 /nfs/dbraw/zinc/46/54/32/542465432.db2.gz BLYDYANDWDBVEN-UHFFFAOYSA-N -1 1 369.469 2.284 20 0 FEADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000079403302 542516513 /nfs/dbraw/zinc/51/65/13/542516513.db2.gz IOHITSGATHDDAC-NSHDSACASA-N -1 1 362.389 2.299 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000080947641 542617788 /nfs/dbraw/zinc/61/77/88/542617788.db2.gz UDHBMEDUVOZDEI-STQMWFEESA-N -1 1 372.494 2.425 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc2ccccc2o1)N1CCc2ccccc21 ZINC000084937496 542722509 /nfs/dbraw/zinc/72/25/09/542722509.db2.gz VCBQNEFVDXMQNO-UHFFFAOYSA-N -1 1 356.403 2.300 20 0 FEADMM O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000089962572 542779703 /nfs/dbraw/zinc/77/97/03/542779703.db2.gz LSBBOSPEGFUCBL-HZPDHXFCSA-N -1 1 360.841 2.411 20 0 FEADMM Cc1csc(N2CCCN(CC(=O)[N-]OCc3ccccc3)CC2)n1 ZINC000093159860 542914541 /nfs/dbraw/zinc/91/45/41/542914541.db2.gz MKSLBBWEAYKGKC-UHFFFAOYSA-N -1 1 360.483 2.212 20 0 FEADMM CCN(CC(=O)[N-]OCc1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000093171749 542914633 /nfs/dbraw/zinc/91/46/33/542914633.db2.gz OLQCOUVUBMCDSD-UHFFFAOYSA-N -1 1 369.465 2.458 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)c(C)c1 ZINC000103943108 543118717 /nfs/dbraw/zinc/11/87/17/543118717.db2.gz PXSBINFYKHIZGF-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000103939386 543118867 /nfs/dbraw/zinc/11/88/67/543118867.db2.gz KPFHMCCDMQTHAO-UHFFFAOYSA-N -1 1 358.829 2.494 20 0 FEADMM CCOc1ccccc1CN(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104147056 543124863 /nfs/dbraw/zinc/12/48/63/543124863.db2.gz POBOROBEASKVFW-UHFFFAOYSA-N -1 1 368.437 2.239 20 0 FEADMM CC(=O)N1CCC(CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000104941709 543151540 /nfs/dbraw/zinc/15/15/40/543151540.db2.gz WAQJUKNAISWHPU-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC000108892079 543307222 /nfs/dbraw/zinc/30/72/22/543307222.db2.gz QMPCAGIPDVBMRM-UONOGXRCSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[n-]1 ZINC000108892079 543307224 /nfs/dbraw/zinc/30/72/24/543307224.db2.gz QMPCAGIPDVBMRM-UONOGXRCSA-N -1 1 356.407 2.104 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC000114411457 543514124 /nfs/dbraw/zinc/51/41/24/543514124.db2.gz UDRVZFFVPPVUQA-UHFFFAOYSA-N -1 1 356.401 2.373 20 0 FEADMM CCc1nc([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n[nH]1 ZINC000122937440 543732197 /nfs/dbraw/zinc/73/21/97/543732197.db2.gz WOELPNFNWWKRKH-UHFFFAOYSA-N -1 1 369.282 2.358 20 0 FEADMM C[C@H](CN(C)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1nn[n-]n1 ZINC000124368180 543816924 /nfs/dbraw/zinc/81/69/24/543816924.db2.gz AMAYUDSVGWLTHJ-GHMZBOCLSA-N -1 1 359.459 2.132 20 0 FEADMM C[C@@H](CN(C)C(=O)C1(c2cccc(Br)c2)CC1)c1nn[n-]n1 ZINC000124452164 543822719 /nfs/dbraw/zinc/82/27/19/543822719.db2.gz IINZBQVJKBKEIT-JTQLQIEISA-N -1 1 364.247 2.256 20 0 FEADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nn1-c1ccccc1 ZINC000124503190 543826256 /nfs/dbraw/zinc/82/62/56/543826256.db2.gz ZPVTUTGCDKJXNS-CYBMUJFWSA-N -1 1 353.430 2.385 20 0 FEADMM CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000124216379 543807148 /nfs/dbraw/zinc/80/71/48/543807148.db2.gz MKRODKMFSJOGCK-ZDUSSCGKSA-N -1 1 369.429 2.050 20 0 FEADMM CC(C)(CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000124859336 543847445 /nfs/dbraw/zinc/84/74/45/543847445.db2.gz AVHPPRXXJZLTFB-UHFFFAOYSA-N -1 1 366.414 2.127 20 0 FEADMM O=C(NCc1ccccc1OCCO)c1cc(Br)ccc1[O-] ZINC000125246715 543870401 /nfs/dbraw/zinc/87/04/01/543870401.db2.gz SBNKAIXBQKEISB-UHFFFAOYSA-N -1 1 366.211 2.456 20 0 FEADMM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127213381 543978598 /nfs/dbraw/zinc/97/85/98/543978598.db2.gz LDIAUMNAPIAKHU-NWDGAFQWSA-N -1 1 362.455 2.030 20 0 FEADMM O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccc2[nH]nnc2c1 ZINC000128509682 544056757 /nfs/dbraw/zinc/05/67/57/544056757.db2.gz XTNAJWJUSKJGQJ-UHFFFAOYSA-N -1 1 351.288 2.181 20 0 FEADMM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cc(-c2ccco2)n[nH]1 ZINC000129113559 544091459 /nfs/dbraw/zinc/09/14/59/544091459.db2.gz UTEFECWHGXGQME-LBPRGKRZSA-N -1 1 364.361 2.127 20 0 FEADMM Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2)n1 ZINC000129298800 544103826 /nfs/dbraw/zinc/10/38/26/544103826.db2.gz HWFSHXWJJPHMHO-QGZVFWFLSA-N -1 1 365.441 2.081 20 0 FEADMM O=C(c1cc(F)cc(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129444091 544112899 /nfs/dbraw/zinc/11/28/99/544112899.db2.gz WCSKUWHYZKJMLA-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM O=C(c1cnc(-c2ccccc2F)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129456981 544113543 /nfs/dbraw/zinc/11/35/43/544113543.db2.gz RYYBSZNGRJIESH-SNVBAGLBSA-N -1 1 358.402 2.482 20 0 FEADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1c([O-])cccc1F ZINC000129763569 544126846 /nfs/dbraw/zinc/12/68/46/544126846.db2.gz UUUXZZACJGSYFV-UHFFFAOYSA-N -1 1 351.399 2.266 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccn1)c1nc(-c2ccncc2)no1 ZINC000131621078 544198359 /nfs/dbraw/zinc/19/83/59/544198359.db2.gz TZEMUMWDNHWHER-CQSZACIVSA-N -1 1 359.411 2.202 20 0 FEADMM O=C(NCc1nnc2n1CCCCC2)c1ccc(Br)c([O-])c1 ZINC000132959283 544250383 /nfs/dbraw/zinc/25/03/83/544250383.db2.gz GSIHDQNNICTQLY-UHFFFAOYSA-N -1 1 365.231 2.403 20 0 FEADMM CCCOc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1OCC ZINC000132710071 544241377 /nfs/dbraw/zinc/24/13/77/544241377.db2.gz CICOGVOCHSDEDM-CQSZACIVSA-N -1 1 359.430 2.407 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@H]1CO)c1sccc1Br ZINC000134041879 544292042 /nfs/dbraw/zinc/29/20/42/544292042.db2.gz LCWHSNQSYRSJIK-WPRPVWTQSA-N -1 1 354.291 2.340 20 0 FEADMM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3c(F)cccc3CO)cc2o1 ZINC000134665062 544317341 /nfs/dbraw/zinc/31/73/41/544317341.db2.gz WVJBYFJQKDEAKU-UHFFFAOYSA-N -1 1 372.761 2.207 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1 ZINC000134098633 544294096 /nfs/dbraw/zinc/29/40/96/544294096.db2.gz YWPQBCJTMUSMAD-UHFFFAOYSA-N -1 1 352.387 2.006 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000134114107 544294730 /nfs/dbraw/zinc/29/47/30/544294730.db2.gz AEPQNVHINMVKFD-INIZCTEOSA-N -1 1 369.418 2.022 20 0 FEADMM C[C@H](O)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000136053330 544365697 /nfs/dbraw/zinc/36/56/97/544365697.db2.gz WHRQXLDVWFFAKJ-LBPRGKRZSA-N -1 1 366.414 2.127 20 0 FEADMM CCC[C@@H](NC(=O)c1ccnc(OCc2ccccc2)c1)c1nn[n-]n1 ZINC000136628603 544375266 /nfs/dbraw/zinc/37/52/66/544375266.db2.gz RULXKGFHMNDTLD-OAHLLOKOSA-N -1 1 352.398 2.445 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1)c1nn[n-]n1 ZINC000136682639 544376838 /nfs/dbraw/zinc/37/68/38/544376838.db2.gz PNRSYIPWNGMPOY-WFASDCNBSA-N -1 1 372.473 2.273 20 0 FEADMM COC(=O)COc1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000137008588 544383209 /nfs/dbraw/zinc/38/32/09/544383209.db2.gz ZFRWWBFLCBIFEV-UHFFFAOYSA-N -1 1 373.434 2.168 20 0 FEADMM Cc1nc2nc(S(=O)(=O)CC3CCOCC3)[n-]c2cc1Br ZINC000152030462 544607764 /nfs/dbraw/zinc/60/77/64/544607764.db2.gz JHQKPWCTHKXRHV-UHFFFAOYSA-N -1 1 374.260 2.229 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)CC3CCOCC3)nc-2cc1Br ZINC000152030462 544607770 /nfs/dbraw/zinc/60/77/70/544607770.db2.gz JHQKPWCTHKXRHV-UHFFFAOYSA-N -1 1 374.260 2.229 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)o1 ZINC000153328375 544762533 /nfs/dbraw/zinc/76/25/33/544762533.db2.gz JDAFMASHXAKHHQ-GZMMTYOYSA-N -1 1 372.805 2.266 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C12CCCCC2 ZINC000153481508 544781456 /nfs/dbraw/zinc/78/14/56/544781456.db2.gz IVICIBLDVMWMRX-KBPBESRZSA-N -1 1 370.471 2.045 20 0 FEADMM C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153749883 544817302 /nfs/dbraw/zinc/81/73/02/544817302.db2.gz ZKVOKTARYWRZAZ-MRXNPFEDSA-N -1 1 355.438 2.150 20 0 FEADMM Cc1nc(NC(=O)c2c([O-])cnc3c(Br)cccc32)nn1C ZINC000553508793 674266932 /nfs/dbraw/zinc/26/69/32/674266932.db2.gz UVHHCVNKRREELH-UHFFFAOYSA-N -1 1 362.187 2.392 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)NCC1CC1 ZINC000179924047 327665008 /nfs/dbraw/zinc/66/50/08/327665008.db2.gz ILEHGFWSXYFONU-UHFFFAOYSA-N -1 1 370.780 2.163 20 0 FEADMM CCOC(=O)CN1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180444643 327686160 /nfs/dbraw/zinc/68/61/60/327686160.db2.gz GIKAWWLNUIMJQK-UHFFFAOYSA-N -1 1 374.359 2.122 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)o1 ZINC000183026273 327798102 /nfs/dbraw/zinc/79/81/02/327798102.db2.gz BSDBEMMDGSXQGT-VIFPVBQESA-N -1 1 356.366 2.285 20 0 FEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000183996072 327845618 /nfs/dbraw/zinc/84/56/18/327845618.db2.gz QBKBKEFQUBIATB-HOCLYGCPSA-N -1 1 360.458 2.241 20 0 FEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)NCCOc1ccccc1 ZINC000553742461 674283340 /nfs/dbraw/zinc/28/33/40/674283340.db2.gz SDBYOZDJNCFPRU-UHFFFAOYSA-N -1 1 373.356 2.488 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCc3c2cccc3F)ccc1[O-] ZINC000185600050 327924156 /nfs/dbraw/zinc/92/41/56/327924156.db2.gz GITRLXASBJCMND-UHFFFAOYSA-N -1 1 350.371 2.241 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CC)c(S(N)(=O)=O)c1 ZINC000187352129 328019106 /nfs/dbraw/zinc/01/91/06/328019106.db2.gz UKDIPUFJVFTJFF-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM O=C(c1cc(Cl)ccc1[O-])N1CCS(=O)(=O)c2ccccc2C1 ZINC000187379154 328021221 /nfs/dbraw/zinc/02/12/21/328021221.db2.gz WLTMAZGKXJKJIF-UHFFFAOYSA-N -1 1 351.811 2.475 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)co1 ZINC000187766695 328044895 /nfs/dbraw/zinc/04/48/95/328044895.db2.gz UUBNHTARBOMGDL-ZBFHGGJFSA-N -1 1 362.451 2.329 20 0 FEADMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1(C)C ZINC000188472218 328089219 /nfs/dbraw/zinc/08/92/19/328089219.db2.gz LYGQDEPUHQJQLQ-WFASDCNBSA-N -1 1 365.854 2.324 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1F ZINC000188578577 328096464 /nfs/dbraw/zinc/09/64/64/328096464.db2.gz GXXJQJHYECCYHT-UHFFFAOYSA-N -1 1 352.343 2.080 20 0 FEADMM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1cc2c(=O)[nH]cnc2cn1 ZINC000188897196 328116489 /nfs/dbraw/zinc/11/64/89/328116489.db2.gz SFPVQMSBKYXQEM-ONEGZZNKSA-N -1 1 366.362 2.185 20 0 FEADMM CCC[C@H](NC(=O)Cc1cccc(Br)c1C)c1nn[n-]n1 ZINC000189065428 328126428 /nfs/dbraw/zinc/12/64/28/328126428.db2.gz SFTKQZFUAKBFAN-LBPRGKRZSA-N -1 1 352.236 2.471 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)co1 ZINC000190747072 328229838 /nfs/dbraw/zinc/22/98/38/328229838.db2.gz KSFYJFCYZXTJDW-OAHLLOKOSA-N -1 1 364.467 2.432 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(Cl)ccc3C2)co1 ZINC000191536015 328270253 /nfs/dbraw/zinc/27/02/53/328270253.db2.gz HVIFEJNBEWFSJM-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(OC(C)C)cc2)co1 ZINC000192263823 328309660 /nfs/dbraw/zinc/30/96/60/328309660.db2.gz FJGVGRBOEZBRAQ-UHFFFAOYSA-N -1 1 352.412 2.252 20 0 FEADMM O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)N1 ZINC000192685502 328333045 /nfs/dbraw/zinc/33/30/45/328333045.db2.gz ZSWXQYMKFDYZRK-HNNXBMFYSA-N -1 1 368.315 2.021 20 0 FEADMM COC(=O)CC1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCCC1 ZINC000193016416 328352160 /nfs/dbraw/zinc/35/21/60/328352160.db2.gz UFRGAPSBMZXUBF-UHFFFAOYSA-N -1 1 351.346 2.258 20 0 FEADMM CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccc([O-])cc3F)C[C@H]2C1 ZINC000193421914 328374647 /nfs/dbraw/zinc/37/46/47/328374647.db2.gz WCCIKJPKICFYSE-TXEJJXNPSA-N -1 1 350.390 2.470 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCCO)c2)cc1 ZINC000194970340 328449134 /nfs/dbraw/zinc/44/91/34/328449134.db2.gz USPVHQYCFCEEFE-UHFFFAOYSA-N -1 1 362.451 2.298 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)[C@@H](C)CO1 ZINC000230888162 328487121 /nfs/dbraw/zinc/48/71/21/328487121.db2.gz KIYFJEHTGJEFPU-DTWKUNHWSA-N -1 1 361.179 2.246 20 0 FEADMM C[C@@]1(NC(=O)c2ccc(I)c([O-])c2)CCCOC1 ZINC000230906907 328487527 /nfs/dbraw/zinc/48/75/27/328487527.db2.gz XQGGJPDXPJZGHW-CYBMUJFWSA-N -1 1 361.179 2.296 20 0 FEADMM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383467 324989910 /nfs/dbraw/zinc/98/99/10/324989910.db2.gz PFZMTXPXAHYSHD-GXFFZTMASA-N -1 1 364.464 2.054 20 0 FEADMM CCn1c(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)n[n-]c1=S ZINC000078496470 325048781 /nfs/dbraw/zinc/04/87/81/325048781.db2.gz OEJJBHWKEVTCOD-ZWNOBZJWSA-N -1 1 359.455 2.485 20 0 FEADMM C[C@H](C(=O)Nc1ncccn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000079949132 325111224 /nfs/dbraw/zinc/11/12/24/325111224.db2.gz FJZWGPZQPNLNAP-CYBMUJFWSA-N -1 1 354.410 2.104 20 0 FEADMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000080002771 325113056 /nfs/dbraw/zinc/11/30/56/325113056.db2.gz YNEGGNJRZKBFIC-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000084938752 325246899 /nfs/dbraw/zinc/24/68/99/325246899.db2.gz FACVQYNHLIGHPB-UHFFFAOYSA-N -1 1 358.419 2.313 20 0 FEADMM CCn1c(CCNC(=O)c2c[nH]nc2-c2ccccc2F)n[n-]c1=S ZINC000087335551 325279895 /nfs/dbraw/zinc/27/98/95/325279895.db2.gz OZCREPADXUCGLC-UHFFFAOYSA-N -1 1 360.418 2.462 20 0 FEADMM CCC[C@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1nn[n-]n1 ZINC000090061034 325352804 /nfs/dbraw/zinc/35/28/04/325352804.db2.gz NTMQCVNVCSOQJS-ZBFHGGJFSA-N -1 1 370.457 2.217 20 0 FEADMM Cn1c([C@H]2CCCN(C(=O)C[C@H](O)c3cccc(F)c3)C2)n[n-]c1=S ZINC000091442605 325386678 /nfs/dbraw/zinc/38/66/78/325386678.db2.gz HRTQKMFJFDCHAS-JSGCOSHPSA-N -1 1 364.446 2.446 20 0 FEADMM O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cc(F)ccc1[O-] ZINC000091732407 325390995 /nfs/dbraw/zinc/39/09/95/325390995.db2.gz KIVARYVLHURISZ-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(=O)N(C)C)c2)ccc1F ZINC000105590879 325569879 /nfs/dbraw/zinc/56/98/79/325569879.db2.gz PZUOBTPQPBMLDG-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc(OC(C)C)s2)cc1 ZINC000108716010 325648991 /nfs/dbraw/zinc/64/89/91/325648991.db2.gz OPZBJRHKNHNBAM-UHFFFAOYSA-N -1 1 367.452 2.383 20 0 FEADMM O=C1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1 ZINC000111019332 325699361 /nfs/dbraw/zinc/69/93/61/325699361.db2.gz XWLSYPRGYUNXPM-SSDOTTSWSA-N -1 1 357.646 2.204 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000114413047 325890323 /nfs/dbraw/zinc/89/03/23/325890323.db2.gz VVSOFONWJSRHOO-KBPBESRZSA-N -1 1 372.375 2.338 20 0 FEADMM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cncc([O-])c1 ZINC000117982346 326075957 /nfs/dbraw/zinc/07/59/57/326075957.db2.gz VBAICLWRUNUTLK-UHFFFAOYSA-N -1 1 350.321 2.271 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CSc2ccccc21 ZINC000118343937 326088519 /nfs/dbraw/zinc/08/85/19/326088519.db2.gz UPHFRNNAXHCLFM-AWEZNQCLSA-N -1 1 354.435 2.145 20 0 FEADMM O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1c([O-])cccc1F ZINC000119285725 326145574 /nfs/dbraw/zinc/14/55/74/326145574.db2.gz LROXZLPYCRGLFC-MRXNPFEDSA-N -1 1 362.376 2.474 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)C(C)C)co1 ZINC000119333422 326150682 /nfs/dbraw/zinc/15/06/82/326150682.db2.gz HISDOPPTFMYDIM-OAHLLOKOSA-N -1 1 350.440 2.357 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](O)C3)c2)c1 ZINC000119733497 326192596 /nfs/dbraw/zinc/19/25/96/326192596.db2.gz AARBVDIMEAAOJE-INIZCTEOSA-N -1 1 374.462 2.311 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)co1 ZINC000119743345 326194023 /nfs/dbraw/zinc/19/40/23/326194023.db2.gz FLANLTZYBWUPMP-SECBINFHSA-N -1 1 374.365 2.280 20 0 FEADMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])[C@H]1CCOC1 ZINC000119935814 326213642 /nfs/dbraw/zinc/21/36/42/326213642.db2.gz YEHHNVYKJXUMOB-BDAKNGLRSA-N -1 1 361.179 2.152 20 0 FEADMM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120561469 326268447 /nfs/dbraw/zinc/26/84/47/326268447.db2.gz QKKITUJIBKMALA-BQBZGAKWSA-N -1 1 358.204 2.023 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)co1 ZINC000122011179 326380440 /nfs/dbraw/zinc/38/04/40/326380440.db2.gz XEPGHABDBSNBGX-GFCCVEGCSA-N -1 1 362.329 2.221 20 0 FEADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000125968755 326480765 /nfs/dbraw/zinc/48/07/65/326480765.db2.gz KJQVOYQXTQSOBV-UHFFFAOYSA-N -1 1 361.391 2.310 20 0 FEADMM CC(C)(C)[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000130539614 326558718 /nfs/dbraw/zinc/55/87/18/326558718.db2.gz IKJFGYRAGBLZCD-NSHDSACASA-N -1 1 360.349 2.217 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)co1 ZINC000132351959 326591291 /nfs/dbraw/zinc/59/12/91/326591291.db2.gz SVFUAAMFUFDWEE-CQSZACIVSA-N -1 1 363.439 2.285 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2cccs2)CC1 ZINC000137261011 326659355 /nfs/dbraw/zinc/65/93/55/326659355.db2.gz PNIJUIXEMADKSU-UHFFFAOYSA-N -1 1 360.483 2.400 20 0 FEADMM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc2ccccc2cc1[O-] ZINC000151164584 326676308 /nfs/dbraw/zinc/67/63/08/326676308.db2.gz HMUGUFPYCNNPSF-UHFFFAOYSA-N -1 1 374.462 2.232 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2OC2CCC2)co1 ZINC000152454983 326707734 /nfs/dbraw/zinc/70/77/34/326707734.db2.gz HLHOTBUHIYALKC-UHFFFAOYSA-N -1 1 364.423 2.049 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c1 ZINC000153220978 326727310 /nfs/dbraw/zinc/72/73/10/326727310.db2.gz AHMRGABTSNOTRF-UHFFFAOYSA-N -1 1 356.425 2.271 20 0 FEADMM C[C@]1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCOC1 ZINC000156534844 326834787 /nfs/dbraw/zinc/83/47/87/326834787.db2.gz DIIJGBUQXCBABN-SFHVURJKSA-N -1 1 360.435 2.396 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)co1 ZINC000162224750 327020146 /nfs/dbraw/zinc/02/01/46/327020146.db2.gz OXKRDKTVKBRBRA-UWVGGRQHSA-N -1 1 354.350 2.039 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)CCN1c1ccccc1 ZINC000162520863 327027709 /nfs/dbraw/zinc/02/77/09/327027709.db2.gz BQPXGCUIEAOVNA-MRXNPFEDSA-N -1 1 366.389 2.190 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)[nH]n1 ZINC000162944888 327038568 /nfs/dbraw/zinc/03/85/68/327038568.db2.gz QLNHJSSWHHJVDS-NSHDSACASA-N -1 1 361.431 2.090 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1nccs1 ZINC000167015890 327083780 /nfs/dbraw/zinc/08/37/80/327083780.db2.gz BQFIWIHFAPMFNX-AWEZNQCLSA-N -1 1 358.441 2.435 20 0 FEADMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000172366501 327198018 /nfs/dbraw/zinc/19/80/18/327198018.db2.gz TYWIZKFFHNJORT-LBPRGKRZSA-N -1 1 360.863 2.399 20 0 FEADMM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc21 ZINC000172899070 327225469 /nfs/dbraw/zinc/22/54/69/327225469.db2.gz LBWBMZOFFVKQEB-UHFFFAOYSA-N -1 1 357.435 2.497 20 0 FEADMM Cc1cc(C(=O)Nc2nc3c(s2)CCCCC3)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000174173541 327310671 /nfs/dbraw/zinc/31/06/71/327310671.db2.gz VHVRRINKMOQKEB-UHFFFAOYSA-N -1 1 371.422 2.310 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCS[C@@H](C(C)C)C2)c(=O)[n-]1 ZINC000174279900 327317164 /nfs/dbraw/zinc/31/71/64/327317164.db2.gz NYUCQPSRMXEJBO-CYBMUJFWSA-N -1 1 355.529 2.333 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1 ZINC000174570744 327335719 /nfs/dbraw/zinc/33/57/19/327335719.db2.gz BVDAZXVWQBNPNS-QGZVFWFLSA-N -1 1 374.462 2.311 20 0 FEADMM CCn1c(=O)c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2[n-]c1=S ZINC000174696617 327344152 /nfs/dbraw/zinc/34/41/52/327344152.db2.gz RJOGNESLBNQIIB-KGLIPLIRSA-N -1 1 372.494 2.014 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1 ZINC000175009821 327367815 /nfs/dbraw/zinc/36/78/15/327367815.db2.gz QVRCDXQPZYUXIA-UHFFFAOYSA-N -1 1 358.419 2.366 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000177201888 327505868 /nfs/dbraw/zinc/50/58/68/327505868.db2.gz QFXNTSORXPSICR-QWHCGFSZSA-N -1 1 352.438 2.490 20 0 FEADMM C[C@]1(O)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000177419354 327521022 /nfs/dbraw/zinc/52/10/22/327521022.db2.gz XOZUCNKNVKVSDG-SFHVURJKSA-N -1 1 360.435 2.084 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000248562631 328726100 /nfs/dbraw/zinc/72/61/00/328726100.db2.gz ODUYXRDITRNUCV-IKGGRYGDSA-N -1 1 364.486 2.266 20 0 FEADMM CC(C)[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000261760913 328817354 /nfs/dbraw/zinc/81/73/54/328817354.db2.gz XQHCKUDWGNDGSO-JTQLQIEISA-N -1 1 372.187 2.115 20 0 FEADMM O=C([O-])c1cccc(CNCc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000263482048 328943037 /nfs/dbraw/zinc/94/30/37/328943037.db2.gz OFGAMGTWABCKPD-UHFFFAOYSA-N -1 1 354.406 2.147 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(N2CCCC2=O)CC1 ZINC000264293403 329007856 /nfs/dbraw/zinc/00/78/56/329007856.db2.gz SCSJFURCRCDVHJ-UHFFFAOYSA-N -1 1 367.243 2.382 20 0 FEADMM CCc1nc(CN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)no1 ZINC000264625691 329042135 /nfs/dbraw/zinc/04/21/35/329042135.db2.gz PXJTUBQGMUNBIP-UHFFFAOYSA-N -1 1 366.421 2.449 20 0 FEADMM Cc1nnc2n1C[C@H](CNC(=O)c1ccc(Br)cc1[O-])CC2 ZINC000265421703 329125122 /nfs/dbraw/zinc/12/51/22/329125122.db2.gz KCTPYFFOYGCBLT-JTQLQIEISA-N -1 1 365.231 2.047 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCSC[C@H]1C ZINC000265713800 329152761 /nfs/dbraw/zinc/15/27/61/329152761.db2.gz HZOVXDHBNLCTAZ-GFCCVEGCSA-N -1 1 358.467 2.449 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCS2)c1 ZINC000266570768 329237284 /nfs/dbraw/zinc/23/72/84/329237284.db2.gz LDUBFUYZCWUAKU-CQSZACIVSA-N -1 1 358.485 2.257 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000267033563 329285104 /nfs/dbraw/zinc/28/51/04/329285104.db2.gz LOBQOTMWZODRER-ZDUSSCGKSA-N -1 1 353.396 2.107 20 0 FEADMM CCOC(=O)N1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000267070406 329288777 /nfs/dbraw/zinc/28/87/77/329288777.db2.gz YZEATGKNQSEJGI-UHFFFAOYSA-N -1 1 364.446 2.093 20 0 FEADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000267189313 329300771 /nfs/dbraw/zinc/30/07/71/329300771.db2.gz BLQBQAUBEMXSHT-QMMMGPOBSA-N -1 1 356.341 2.015 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C[C@H](C)O1 ZINC000267206570 329302455 /nfs/dbraw/zinc/30/24/55/329302455.db2.gz SSUVZMJWVBEIFL-AAEUAGOBSA-N -1 1 371.459 2.098 20 0 FEADMM NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000267262748 329308483 /nfs/dbraw/zinc/30/84/83/329308483.db2.gz KUKKQHFBFQUBNY-RNFRBKRXSA-N -1 1 357.284 2.377 20 0 FEADMM CO[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000267661393 329347533 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COc1ccc(COCCNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000271818129 329727785 /nfs/dbraw/zinc/72/77/85/329727785.db2.gz PTZXUTRHSQATFC-UHFFFAOYSA-N -1 1 363.439 2.168 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000271982818 329742366 /nfs/dbraw/zinc/74/23/66/329742366.db2.gz YJMCWWCATKJNNX-CUOATXAZSA-N -1 1 353.488 2.321 20 0 FEADMM COCCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000272107889 329752895 /nfs/dbraw/zinc/75/28/95/329752895.db2.gz NTKMKVNXNZXAFP-CYBMUJFWSA-N -1 1 370.471 2.178 20 0 FEADMM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272131020 329754580 /nfs/dbraw/zinc/75/45/80/329754580.db2.gz MKSGQMYLNAMSLN-NSHDSACASA-N -1 1 356.444 2.106 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000272881414 329820525 /nfs/dbraw/zinc/82/05/25/329820525.db2.gz VPWUFNVAUXHXRR-DLBZAZTESA-N -1 1 363.435 2.152 20 0 FEADMM CCC[C@@H](NCC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000273163916 329842134 /nfs/dbraw/zinc/84/21/34/329842134.db2.gz AVVDPCNDEDVZHJ-TZMCWYRMSA-N -1 1 352.431 2.114 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)c(=O)[n-]1 ZINC000273327731 329855971 /nfs/dbraw/zinc/85/59/71/329855971.db2.gz OYKMQSQEVISBKA-PBHICJAKSA-N -1 1 351.472 2.219 20 0 FEADMM CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000274152500 329920624 /nfs/dbraw/zinc/92/06/24/329920624.db2.gz ZJJFNIVUKZOHFQ-JTQLQIEISA-N -1 1 351.346 2.060 20 0 FEADMM Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000275373380 330041121 /nfs/dbraw/zinc/04/11/21/330041121.db2.gz PSBQNFAOOSUFCP-AAEUAGOBSA-N -1 1 355.316 2.405 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](O)C12CCCC2 ZINC000294190795 330191548 /nfs/dbraw/zinc/19/15/48/330191548.db2.gz ODVQSLLIEKJXKE-INIZCTEOSA-N -1 1 368.437 2.001 20 0 FEADMM Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)cn1 ZINC000371456587 330243651 /nfs/dbraw/zinc/24/36/51/330243651.db2.gz GTHMTXASXYGTFI-OCCSQVGLSA-N -1 1 359.455 2.219 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)o1 ZINC000440846216 330276620 /nfs/dbraw/zinc/27/66/20/330276620.db2.gz LFULMCWZUCVEAF-CYBMUJFWSA-N -1 1 350.396 2.004 20 0 FEADMM O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(Cl)c1[O-] ZINC000649592943 450593169 /nfs/dbraw/zinc/59/31/69/450593169.db2.gz VGYPZWRPYUTRDW-NSHDSACASA-N -1 1 357.819 2.222 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@H]2C)o1 ZINC000553910564 674294008 /nfs/dbraw/zinc/29/40/08/674294008.db2.gz FTYVDPOQKUWSRQ-VFZGTOFNSA-N -1 1 369.370 2.396 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000554320286 674312432 /nfs/dbraw/zinc/31/24/32/674312432.db2.gz NRSNRHATBAPPIN-UHFFFAOYSA-N -1 1 366.370 2.077 20 0 FEADMM CCC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000262680607 517611544 /nfs/dbraw/zinc/61/15/44/517611544.db2.gz SOACOOYWBCIJET-VIFPVBQESA-N -1 1 372.187 2.259 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c(C(F)(F)F)n1 ZINC000555334284 674357195 /nfs/dbraw/zinc/35/71/95/674357195.db2.gz NHTKSBBFZIHWMX-WDEREUQCSA-N -1 1 369.409 2.049 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cnc3c(F)cccc3c2)o1 ZINC000806085641 674366677 /nfs/dbraw/zinc/36/66/77/674366677.db2.gz RUKMYWIMYMGQCH-UHFFFAOYSA-N -1 1 364.354 2.232 20 0 FEADMM O=C(c1cc2c(cccc2OC(F)F)[nH]1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155464090 545528812 /nfs/dbraw/zinc/52/88/12/545528812.db2.gz WQGCLWBIYLZRTC-VIFPVBQESA-N -1 1 362.340 2.302 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)sc1Br ZINC000155473888 545531063 /nfs/dbraw/zinc/53/10/63/545531063.db2.gz HXAZBABIVSJCOF-SSDOTTSWSA-N -1 1 372.248 2.052 20 0 FEADMM CC(C)c1noc(-c2ccccc2C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC000155545818 545541773 /nfs/dbraw/zinc/54/17/73/545541773.db2.gz RSCATBFDFQOUHI-GFCCVEGCSA-N -1 1 367.413 2.393 20 0 FEADMM COC(=O)Cn1ccc(N=C([O-])Nc2nnc(C=Cc3ccco3)s2)n1 ZINC000470434329 538836174 /nfs/dbraw/zinc/83/61/74/538836174.db2.gz JOKUOZFBVUEFCQ-SNAWJCMRSA-N -1 1 374.382 2.315 20 0 FEADMM COc1ccc([C@H](CN(C)C)NC(=O)N=c2ncn(C(C)(C)C)[n-]2)cc1 ZINC000498957976 538867004 /nfs/dbraw/zinc/86/70/04/538867004.db2.gz UARJGMGTQMVGLS-HNNXBMFYSA-N -1 1 360.462 2.466 20 0 FEADMM Cc1nc(-c2ccccc2NC(=O)c2cc(=O)n3[n-]cnc3n2)cs1 ZINC000477681344 561150946 /nfs/dbraw/zinc/15/09/46/561150946.db2.gz QXKWMYGTZOJYCB-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000158285214 545843747 /nfs/dbraw/zinc/84/37/47/545843747.db2.gz ZLBGYZMKOPLADV-AWEZNQCLSA-N -1 1 358.419 2.001 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)cn1 ZINC000478699074 561173095 /nfs/dbraw/zinc/17/30/95/561173095.db2.gz WBOXWPXFZYZNQW-UHFFFAOYSA-N -1 1 372.349 2.346 20 0 FEADMM COCCC1(C[N-]S(=O)(=O)c2cc(C(=O)OC)co2)CCCCC1 ZINC000478769370 561174541 /nfs/dbraw/zinc/17/45/41/561174541.db2.gz ILEQACKDAJYLRM-UHFFFAOYSA-N -1 1 359.444 2.332 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)c2ccc(F)cc2)o1 ZINC000479238289 561185524 /nfs/dbraw/zinc/18/55/24/561185524.db2.gz DAGVMCDYBHXROF-AWEZNQCLSA-N -1 1 371.386 2.261 20 0 FEADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000479533004 561191405 /nfs/dbraw/zinc/19/14/05/561191405.db2.gz YPCNERWZRDJLCR-UHFFFAOYSA-N -1 1 370.814 2.257 20 0 FEADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nc[nH]n1 ZINC000176747042 546483043 /nfs/dbraw/zinc/48/30/43/546483043.db2.gz NMRHYPFTIRRKCP-LBPRGKRZSA-N -1 1 371.422 2.097 20 0 FEADMM CCC[C@H](NC(=O)c1cc(OC)ccc1Br)c1nn[n-]n1 ZINC000176767050 546485152 /nfs/dbraw/zinc/48/51/52/546485152.db2.gz VCZNMMXLZHCXBK-NSHDSACASA-N -1 1 354.208 2.242 20 0 FEADMM CCC[C@@H](NC(=O)C=Cc1ccc(OC(F)F)c(OC)c1)c1nn[n-]n1 ZINC000176765547 546485493 /nfs/dbraw/zinc/48/54/93/546485493.db2.gz DDNDFPLNYJCZAX-LXSSAFMLSA-N -1 1 367.356 2.481 20 0 FEADMM CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000176779390 546487080 /nfs/dbraw/zinc/48/70/80/546487080.db2.gz RRKOGMQXZHYTHL-KGLIPLIRSA-N -1 1 364.837 2.078 20 0 FEADMM O=C(CCc1nnc[nH]1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000177154372 546557340 /nfs/dbraw/zinc/55/73/40/546557340.db2.gz GXGZDOUXMFSFOA-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)c(F)c1 ZINC000480879463 561219223 /nfs/dbraw/zinc/21/92/23/561219223.db2.gz OKIYTMALWPLPCJ-MRXNPFEDSA-N -1 1 366.389 2.108 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000177540390 546640106 /nfs/dbraw/zinc/64/01/06/546640106.db2.gz DYRWENAPJIZXLI-UHFFFAOYSA-N -1 1 368.377 2.145 20 0 FEADMM CC[C@H](O)CCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000481139259 561225998 /nfs/dbraw/zinc/22/59/98/561225998.db2.gz KIHKUOITZZZAGM-HNNXBMFYSA-N -1 1 358.442 2.153 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1nc(-c2ccccc2)cs1 ZINC000481172570 561227102 /nfs/dbraw/zinc/22/71/02/561227102.db2.gz XSLHEFIKASKBOI-UHFFFAOYSA-N -1 1 354.391 2.279 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H](C)Oc3ccccc32)ccc1[O-] ZINC000481606625 561237286 /nfs/dbraw/zinc/23/72/86/561237286.db2.gz AEFWWAJMPWBBQX-LLVKDONJSA-N -1 1 362.407 2.327 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)CO)c2)c1 ZINC000481728216 561239935 /nfs/dbraw/zinc/23/99/35/561239935.db2.gz XGJOKCKYSMFLAF-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@@H](c3ccc(F)cc3)C1)c2=O ZINC000179415020 546949051 /nfs/dbraw/zinc/94/90/51/546949051.db2.gz YEJYPZYDYATVPZ-OAHLLOKOSA-N -1 1 356.357 2.027 20 0 FEADMM CC(C)(CCO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000179424054 546951066 /nfs/dbraw/zinc/95/10/66/546951066.db2.gz LBWRTJKVSVKVDO-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000481981379 561246685 /nfs/dbraw/zinc/24/66/85/561246685.db2.gz MAKUJFYAQGPOOU-UHFFFAOYSA-N -1 1 374.418 2.241 20 0 FEADMM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000181031060 547235418 /nfs/dbraw/zinc/23/54/18/547235418.db2.gz UHGBGXWXQUCITC-UHFFFAOYSA-N -1 1 359.407 2.390 20 0 FEADMM CCn1cnnc1-c1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181792903 547380983 /nfs/dbraw/zinc/38/09/83/547380983.db2.gz AIIXAYRPAYBQNF-UHFFFAOYSA-N -1 1 363.381 2.205 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c2=O ZINC000182127968 547441797 /nfs/dbraw/zinc/44/17/97/547441797.db2.gz HQPSIKYKVUPUOQ-RISCZKNCSA-N -1 1 372.450 2.464 20 0 FEADMM Cc1nn(C)c(C)c1CCCNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000182827692 547557699 /nfs/dbraw/zinc/55/76/99/547557699.db2.gz FXRMDHHLGKGPIV-UHFFFAOYSA-N -1 1 353.426 2.357 20 0 FEADMM Cc1nn(C)c(C)c1CCCNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000182827692 547557704 /nfs/dbraw/zinc/55/77/04/547557704.db2.gz FXRMDHHLGKGPIV-UHFFFAOYSA-N -1 1 353.426 2.357 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCOCC1)c1cc(Br)cnc1Cl ZINC000183384940 547648418 /nfs/dbraw/zinc/64/84/18/547648418.db2.gz JUMMRLJHRUTAPI-SECBINFHSA-N -1 1 369.668 2.345 20 0 FEADMM Cc1nc(C(F)(F)F)c(CS(=O)(=O)c2n[n-]c(C3CC3)n2)s1 ZINC000183667084 547698485 /nfs/dbraw/zinc/69/84/85/547698485.db2.gz DFKQFLMJGLYEDS-UHFFFAOYSA-N -1 1 352.363 2.440 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(N)=O)cc1 ZINC000484596822 561300792 /nfs/dbraw/zinc/30/07/92/561300792.db2.gz IMYZBAMOUIGHHK-UHFFFAOYSA-N -1 1 362.451 2.397 20 0 FEADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc(-c2nc[nH]n2)n1 ZINC000484947971 561309103 /nfs/dbraw/zinc/30/91/03/561309103.db2.gz JMUHZJNAKMEMTE-UHFFFAOYSA-N -1 1 361.334 2.137 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184966570 547909410 /nfs/dbraw/zinc/90/94/10/547909410.db2.gz GESOBFHSMSYJRW-AWEZNQCLSA-N -1 1 354.472 2.092 20 0 FEADMM Cc1noc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000185053210 547924869 /nfs/dbraw/zinc/92/48/69/547924869.db2.gz GAECRTKGQNDUNN-UHFFFAOYSA-N -1 1 357.395 2.168 20 0 FEADMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000185269793 547962068 /nfs/dbraw/zinc/96/20/68/547962068.db2.gz SDMLOTDPIVNIIC-HPOULIHZSA-N -1 1 369.668 2.103 20 0 FEADMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2nc3cccnc3s2)c1 ZINC000485750904 561327183 /nfs/dbraw/zinc/32/71/83/561327183.db2.gz SKDGNJRUFYIGLL-UHFFFAOYSA-N -1 1 351.384 2.486 20 0 FEADMM CCOc1cc(C(=O)NCCCNC(=O)C2CCC2)cc(Cl)c1[O-] ZINC000186850463 548205637 /nfs/dbraw/zinc/20/56/37/548205637.db2.gz OUTKSQRJYOYESW-UHFFFAOYSA-N -1 1 354.834 2.481 20 0 FEADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000186935159 548223521 /nfs/dbraw/zinc/22/35/21/548223521.db2.gz YKDWJHXHPFHMAC-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195127002 548580802 /nfs/dbraw/zinc/58/08/02/548580802.db2.gz WXHJZPQLSZABCS-GHMZBOCLSA-N -1 1 368.434 2.078 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195127002 548580807 /nfs/dbraw/zinc/58/08/07/548580807.db2.gz WXHJZPQLSZABCS-GHMZBOCLSA-N -1 1 368.434 2.078 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cc1F ZINC000195171614 548590494 /nfs/dbraw/zinc/59/04/94/548590494.db2.gz PXCGTAKBJMUDCA-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1F ZINC000195171614 548590497 /nfs/dbraw/zinc/59/04/97/548590497.db2.gz PXCGTAKBJMUDCA-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1F ZINC000195171614 548590503 /nfs/dbraw/zinc/59/05/03/548590503.db2.gz PXCGTAKBJMUDCA-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cc1 ZINC000195176362 548591828 /nfs/dbraw/zinc/59/18/28/548591828.db2.gz MTZPCXHVTBRBHV-NSHDSACASA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1 ZINC000195176362 548591830 /nfs/dbraw/zinc/59/18/30/548591830.db2.gz MTZPCXHVTBRBHV-NSHDSACASA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1 ZINC000195176362 548591831 /nfs/dbraw/zinc/59/18/31/548591831.db2.gz MTZPCXHVTBRBHV-NSHDSACASA-N -1 1 364.471 2.466 20 0 FEADMM CCOC(=O)Cn1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1=O ZINC000486940153 561359965 /nfs/dbraw/zinc/35/99/65/561359965.db2.gz KNHUECBXTZHHMA-UHFFFAOYSA-N -1 1 365.773 2.414 20 0 FEADMM CS[C@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230903714 548762559 /nfs/dbraw/zinc/76/25/59/548762559.db2.gz JOPNUILASZSZOU-SSDOTTSWSA-N -1 1 351.209 2.478 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000236973623 548791240 /nfs/dbraw/zinc/79/12/40/548791240.db2.gz OEVXQPBHRHRSNJ-KGLIPLIRSA-N -1 1 368.499 2.346 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CN2C(=O)CNC2=O)c1 ZINC000488260898 561387131 /nfs/dbraw/zinc/38/71/31/561387131.db2.gz DMHVQCUIUIOJOD-UHFFFAOYSA-N -1 1 373.434 2.102 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000246379969 549119426 /nfs/dbraw/zinc/11/94/26/549119426.db2.gz HIZIWAAIMWDMLH-GUYCJALGSA-N -1 1 374.462 2.475 20 0 FEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)OCC)o2)o1 ZINC000490619514 561436063 /nfs/dbraw/zinc/43/60/63/561436063.db2.gz KYXIAVSHAGPEII-UHFFFAOYSA-N -1 1 356.400 2.184 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(F)c(Br)c1 ZINC000491090618 561442912 /nfs/dbraw/zinc/44/29/12/561442912.db2.gz HDBPSLGJPZMDBC-UHFFFAOYSA-N -1 1 368.162 2.057 20 0 FEADMM CC(C)[C@@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000268668925 550101505 /nfs/dbraw/zinc/10/15/05/550101505.db2.gz RSPGNADOQFLENQ-KRWDZBQOSA-N -1 1 362.451 2.234 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1[N-]S(C)(=O)=O ZINC000269967771 550240176 /nfs/dbraw/zinc/24/01/76/550240176.db2.gz UZRSJKOAZWFKNA-GFCCVEGCSA-N -1 1 371.459 2.146 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000270393913 550268160 /nfs/dbraw/zinc/26/81/60/550268160.db2.gz YIARITKIRFZHQT-GJZGRUSLSA-N -1 1 373.453 2.003 20 0 FEADMM CC[C@@H](CSC)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000271793320 550402530 /nfs/dbraw/zinc/40/25/30/550402530.db2.gz IPHCTAPBYXHGJK-JTQLQIEISA-N -1 1 361.489 2.330 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(=O)[n-]1 ZINC000272224891 550429849 /nfs/dbraw/zinc/42/98/49/550429849.db2.gz KYMHOXBZHYUQSH-KBPBESRZSA-N -1 1 367.515 2.401 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1 ZINC000272422911 550446727 /nfs/dbraw/zinc/44/67/27/550446727.db2.gz IHBNBUOMZSNSEA-UHFFFAOYSA-N -1 1 351.356 2.305 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000272971285 550478912 /nfs/dbraw/zinc/47/89/12/550478912.db2.gz JFPZHJRJOSCAOC-HOCLYGCPSA-N -1 1 360.458 2.097 20 0 FEADMM COc1ccc(OC)c(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])c1 ZINC000273311458 550494077 /nfs/dbraw/zinc/49/40/77/550494077.db2.gz BXXXFDRHYPSCQO-AWEZNQCLSA-N -1 1 363.439 2.125 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cnccc2NC(C)=O)c(=O)[n-]1 ZINC000273335311 550494701 /nfs/dbraw/zinc/49/47/01/550494701.db2.gz JVSRDHZOUVGNHZ-UHFFFAOYSA-N -1 1 361.427 2.137 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2cscn2)no1 ZINC000273772135 550510941 /nfs/dbraw/zinc/51/09/41/550510941.db2.gz SAIOVJOJUJZXEM-QMMMGPOBSA-N -1 1 356.454 2.218 20 0 FEADMM CCOc1cc(C(=O)N(CC)[C@H](C)CS(C)(=O)=O)cc(Cl)c1[O-] ZINC000273975835 550517743 /nfs/dbraw/zinc/51/77/43/550517743.db2.gz SMLYFKZTHCKLQH-SNVBAGLBSA-N -1 1 363.863 2.340 20 0 FEADMM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000274278939 550530957 /nfs/dbraw/zinc/53/09/57/550530957.db2.gz YKPHHGWGAZCBHM-VIFPVBQESA-N -1 1 368.846 2.390 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000274389823 550535580 /nfs/dbraw/zinc/53/55/80/550535580.db2.gz CBWDXMNAYRFLMZ-UHFFFAOYSA-N -1 1 356.835 2.059 20 0 FEADMM CCCN(CCC)C(=O)c1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000274806817 550555861 /nfs/dbraw/zinc/55/58/61/550555861.db2.gz UMZXWRNNOMFVCP-CQSZACIVSA-N -1 1 372.473 2.338 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)[n-]1 ZINC000274981095 550568937 /nfs/dbraw/zinc/56/89/37/550568937.db2.gz XUGURXZYFJCVFS-VIFPVBQESA-N -1 1 365.411 2.333 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)n1 ZINC000274981095 550568939 /nfs/dbraw/zinc/56/89/39/550568939.db2.gz XUGURXZYFJCVFS-VIFPVBQESA-N -1 1 365.411 2.333 20 0 FEADMM COC1(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC1 ZINC000276792676 550596291 /nfs/dbraw/zinc/59/62/91/550596291.db2.gz JQTSIBUBOWAYTQ-UHFFFAOYSA-N -1 1 368.455 2.074 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ncccc1[O-])c1ccc(Br)cc1 ZINC000494823227 561477097 /nfs/dbraw/zinc/47/70/97/561477097.db2.gz XISPXQMAVLAIKB-LBPRGKRZSA-N -1 1 365.183 2.194 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)(F)F)c1 ZINC000277323144 550656489 /nfs/dbraw/zinc/65/64/89/550656489.db2.gz XPPBMASJNCWZFX-UHFFFAOYSA-N -1 1 350.387 2.407 20 0 FEADMM CS(=O)(=O)Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000277705116 550704112 /nfs/dbraw/zinc/70/41/12/550704112.db2.gz NBAMBOUPZFFKBF-UHFFFAOYSA-N -1 1 357.482 2.353 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(Cl)cn3)CC2)n1 ZINC000277713441 550705309 /nfs/dbraw/zinc/70/53/09/550705309.db2.gz MUTUQACLUCFORG-UHFFFAOYSA-N -1 1 363.805 2.050 20 0 FEADMM CCC[C@@]1(CO)CCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000277918834 550728973 /nfs/dbraw/zinc/72/89/73/550728973.db2.gz HHFZMACFLWAFSM-KRWDZBQOSA-N -1 1 353.488 2.299 20 0 FEADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ncc(C)cc1[O-] ZINC000494906508 561478974 /nfs/dbraw/zinc/47/89/74/561478974.db2.gz FEJXAXSIWQSZNU-OAHLLOKOSA-N -1 1 353.378 2.091 20 0 FEADMM O=C(Cc1cccc(N2CCCC2=O)c1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000495119136 561482525 /nfs/dbraw/zinc/48/25/25/561482525.db2.gz JQVCUHRJEYXBRO-UHFFFAOYSA-N -1 1 362.393 2.175 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000278634401 550806435 /nfs/dbraw/zinc/80/64/35/550806435.db2.gz HHYDETKDNXCHMN-LBPRGKRZSA-N -1 1 351.325 2.450 20 0 FEADMM Cc1cccc(N2CCN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CC2)c1 ZINC000279197512 550864011 /nfs/dbraw/zinc/86/40/11/550864011.db2.gz CUZRUQGKGDPAEN-XLNRJJMWSA-N -1 1 350.426 2.004 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000279213772 550865614 /nfs/dbraw/zinc/86/56/14/550865614.db2.gz XBYUQLHPQHUIIP-UHFFFAOYSA-N -1 1 372.469 2.043 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279732732 550922501 /nfs/dbraw/zinc/92/25/01/550922501.db2.gz JMAWIYFRWKCDOG-CENXUZMRSA-N -1 1 363.458 2.197 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000280129071 550963472 /nfs/dbraw/zinc/96/34/72/550963472.db2.gz SOBGUZLLYYUYEM-BDJLRTHQSA-N -1 1 358.442 2.010 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@]2(CCOC2)O1 ZINC000280493044 550999968 /nfs/dbraw/zinc/99/99/68/550999968.db2.gz KMGTXDQCAWRIIX-BMIGLBTASA-N -1 1 356.216 2.175 20 0 FEADMM COc1cccc(N2CCC[C@@H](NC(=O)C(=O)c3ccc([O-])cc3)C2)c1 ZINC000280833342 551036965 /nfs/dbraw/zinc/03/69/65/551036965.db2.gz TXQQKAFALMKBNR-OAHLLOKOSA-N -1 1 354.406 2.369 20 0 FEADMM Cc1nc(C2CC2)oc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281193878 551072524 /nfs/dbraw/zinc/07/25/24/551072524.db2.gz AAKVUDCEERNZFN-UHFFFAOYSA-N -1 1 359.348 2.391 20 0 FEADMM COc1cc(NC(=O)CNC(=O)c2ncccc2[O-])cc(OC)c1C(C)C ZINC000496740686 561495621 /nfs/dbraw/zinc/49/56/21/561495621.db2.gz WBMPCYJPNNRBGF-UHFFFAOYSA-N -1 1 373.409 2.296 20 0 FEADMM CC(C)Cn1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn1 ZINC000281660024 551127276 /nfs/dbraw/zinc/12/72/76/551127276.db2.gz ITNNWIGILVUWJD-UHFFFAOYSA-N -1 1 360.380 2.070 20 0 FEADMM Cc1nn(C(C)(C)C)cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281744579 551137986 /nfs/dbraw/zinc/13/79/86/551137986.db2.gz OXXPVGUPLMIJHJ-UHFFFAOYSA-N -1 1 374.407 2.477 20 0 FEADMM CCCNC(=O)c1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc1 ZINC000281790672 551144104 /nfs/dbraw/zinc/14/41/04/551144104.db2.gz HWYNEZLWDAYZFK-UHFFFAOYSA-N -1 1 372.391 2.116 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCCO)c2)cc1 ZINC000281943589 551160840 /nfs/dbraw/zinc/16/08/40/551160840.db2.gz MQJNEDAHADNJIN-UHFFFAOYSA-N -1 1 362.451 2.250 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)cn1 ZINC000282532468 551242994 /nfs/dbraw/zinc/24/29/94/551242994.db2.gz WHWPMPVLWBDLGG-CYBMUJFWSA-N -1 1 363.439 2.116 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282808394 551272560 /nfs/dbraw/zinc/27/25/60/551272560.db2.gz BDCOSXKIUDZKBJ-UWVGGRQHSA-N -1 1 368.796 2.064 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282809990 551272751 /nfs/dbraw/zinc/27/27/51/551272751.db2.gz BDCOSXKIUDZKBJ-VHSXEESVSA-N -1 1 368.796 2.064 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CSC2(C)C)cc1[N-]S(C)(=O)=O ZINC000282809604 551272861 /nfs/dbraw/zinc/27/28/61/551272861.db2.gz JDLYQAXAZQVCOW-GFCCVEGCSA-N -1 1 359.473 2.082 20 0 FEADMM O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282939891 551287595 /nfs/dbraw/zinc/28/75/95/551287595.db2.gz PNZKSIPEEARIEU-LLVKDONJSA-N -1 1 357.801 2.319 20 0 FEADMM O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282941927 551287813 /nfs/dbraw/zinc/28/78/13/551287813.db2.gz PSORERKNZDJSKV-VIFPVBQESA-N -1 1 361.452 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CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2(COC)CCC2)c1 ZINC000285762476 551806987 /nfs/dbraw/zinc/80/69/87/551806987.db2.gz VMLOSDHLSKXIRZ-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)cc(Cl)c1[O-] ZINC000285904981 551825614 /nfs/dbraw/zinc/82/56/14/551825614.db2.gz KQPKCNSYOPHZCX-KRWDZBQOSA-N -1 1 355.818 2.466 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1nc(C)cs1 ZINC000286803891 551927770 /nfs/dbraw/zinc/92/77/70/551927770.db2.gz HSNGEBFMCADCSE-SECBINFHSA-N -1 1 360.486 2.296 20 0 FEADMM C[C@@H](O)[C@](C)(CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)Cc1ccccc1 ZINC000287108863 551964409 /nfs/dbraw/zinc/96/44/09/551964409.db2.gz JQWICIFAYGRMGD-JYGVTVGGSA-N -1 1 367.453 2.093 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3)ccnc1-2 ZINC000287109154 551964421 /nfs/dbraw/zinc/96/44/21/551964421.db2.gz JTXIVWZIKNRGCG-OETDOYICSA-N -1 1 370.844 2.396 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cc2[nH]ncc21 ZINC000499263165 561547093 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/nfs/dbraw/zinc/77/74/54/553777454.db2.gz BXPSBUQFSDGQHM-UHFFFAOYSA-N -1 1 354.432 2.285 20 0 FEADMM CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000328052905 553793203 /nfs/dbraw/zinc/79/32/03/553793203.db2.gz HNHWDLSCHSVANP-UHFFFAOYSA-N -1 1 364.379 2.158 20 0 FEADMM CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505732416 561678710 /nfs/dbraw/zinc/67/87/10/561678710.db2.gz WLRFFQXJLUMJHA-UHFFFAOYSA-N -1 1 363.391 2.225 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000329211400 553903186 /nfs/dbraw/zinc/90/31/86/553903186.db2.gz ZDUBPZNLRZPXDS-IAQYHMDHSA-N -1 1 365.405 2.944 20 0 FEADMM COc1ccnc(C(=O)N=c2nc(-c3ccc(OC)cc3OC)[nH][n-]2)c1 ZINC000604704933 553904141 /nfs/dbraw/zinc/90/41/41/553904141.db2.gz SEQDLMXJZCURPU-UHFFFAOYSA-N -1 1 355.354 2.145 20 0 FEADMM Cn1cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c(C2CC2)n1 ZINC000329754854 554000523 /nfs/dbraw/zinc/00/05/23/554000523.db2.gz XOYWHEGXUXZFLN-SJCJKPOMSA-N -1 1 351.472 2.435 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]3COCC[C@H]32)c(=O)[n-]1 ZINC000329775865 554003577 /nfs/dbraw/zinc/00/35/77/554003577.db2.gz NLMDDJOGFGZGCR-TZMCWYRMSA-N -1 1 351.472 2.173 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CN1C1CCCCC1 ZINC000330084513 554061913 /nfs/dbraw/zinc/06/19/13/554061913.db2.gz RACXLSKFKSKRMS-NSHDSACASA-N -1 1 358.410 2.177 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000507563790 561733277 /nfs/dbraw/zinc/73/32/77/561733277.db2.gz GXTRJBRIZBMSBG-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM CC(=O)c1cc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)ccc1F ZINC000507581633 561734282 /nfs/dbraw/zinc/73/42/82/561734282.db2.gz UHEFVUYSEPWFCA-UHFFFAOYSA-N -1 1 362.386 2.419 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000330187748 554080626 /nfs/dbraw/zinc/08/06/26/554080626.db2.gz UAEJAKZELBIKJS-CQSZACIVSA-N -1 1 363.458 2.056 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000330532089 554134281 /nfs/dbraw/zinc/13/42/81/554134281.db2.gz MWQFFLVCCRBIEZ-UHFFFAOYSA-N -1 1 351.346 2.469 20 0 FEADMM CCC(CC)c1cc(C(=O)N=c2[n-]nc(NS(C)(=O)=O)s2)on1 ZINC000607632854 554164979 /nfs/dbraw/zinc/16/49/79/554164979.db2.gz NSHZLIVDNWOYAV-UHFFFAOYSA-N -1 1 359.433 2.054 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2nc(C3CC3)oc2c1 ZINC000508380696 561760672 /nfs/dbraw/zinc/76/06/72/561760672.db2.gz IFOLIYZIMHUIQF-UHFFFAOYSA-N -1 1 352.350 2.174 20 0 FEADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000508385251 561760849 /nfs/dbraw/zinc/76/08/49/561760849.db2.gz RNHLQUWIWOHONJ-LSDHHAIUSA-N -1 1 353.422 2.230 20 0 FEADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508394490 561761247 /nfs/dbraw/zinc/76/12/47/561761247.db2.gz MMGDXDXVFRPGOB-CQSZACIVSA-N -1 1 353.422 2.344 20 0 FEADMM CC(C)(C)c1nc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cs1 ZINC000331742241 554319337 /nfs/dbraw/zinc/31/93/37/554319337.db2.gz GHZZSXSWDQLRNJ-SNVBAGLBSA-N -1 1 350.444 2.478 20 0 FEADMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)nc1 ZINC000331766678 554322842 /nfs/dbraw/zinc/32/28/42/554322842.db2.gz DBQZPKDACXSCBX-AWEZNQCLSA-N -1 1 354.410 2.290 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2nc(C)no2)cc(Cl)c1[O-] ZINC000331902258 554342979 /nfs/dbraw/zinc/34/29/79/554342979.db2.gz YXWSVBKYQFPYJZ-CMPLNLGQSA-N -1 1 367.789 2.084 20 0 FEADMM CCn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cccc(F)c2F)cn1 ZINC000332075608 554374636 /nfs/dbraw/zinc/37/46/36/554374636.db2.gz YRXHWNWDNMTYQX-XJKSGUPXSA-N -1 1 371.409 2.380 20 0 FEADMM COC1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000509899564 561817745 /nfs/dbraw/zinc/81/77/45/561817745.db2.gz RJQKXDVXPRZTOP-UHFFFAOYSA-N -1 1 364.398 2.097 20 0 FEADMM COc1ccc([C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C(C)C)cc1 ZINC000509903867 561817980 /nfs/dbraw/zinc/81/79/80/561817980.db2.gz DUNOTPSHCNSIFW-KRWDZBQOSA-N -1 1 357.410 2.039 20 0 FEADMM COc1ccc(NC(=O)N2CCS[C@H](C)CC2)cc1[N-]S(C)(=O)=O ZINC000332384706 554436218 /nfs/dbraw/zinc/43/62/18/554436218.db2.gz YPFAIGKSUOHKCN-LLVKDONJSA-N -1 1 373.500 2.426 20 0 FEADMM CCC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509924340 561818642 /nfs/dbraw/zinc/81/86/42/561818642.db2.gz BPCPJFWAZJSXCO-UHFFFAOYSA-N -1 1 354.211 2.037 20 0 FEADMM CCc1ccc(CC)c(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000332422948 554443951 /nfs/dbraw/zinc/44/39/51/554443951.db2.gz XEOVZMPZIFVPCN-UHFFFAOYSA-N -1 1 360.487 2.599 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000510021883 561822467 /nfs/dbraw/zinc/82/24/67/561822467.db2.gz XAROWFYGXWXTBW-UHFFFAOYSA-N -1 1 358.276 2.175 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1O ZINC000332525209 554462641 /nfs/dbraw/zinc/46/26/41/554462641.db2.gz MOCNCUFVTLQXML-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1O ZINC000332525210 554462897 /nfs/dbraw/zinc/46/28/97/554462897.db2.gz MOCNCUFVTLQXML-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM CCCNC(=O)C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000332528536 554464226 /nfs/dbraw/zinc/46/42/26/554464226.db2.gz QAQCZAILEHUNLU-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM CCCNC(=O)C1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000332528536 554464230 /nfs/dbraw/zinc/46/42/30/554464230.db2.gz QAQCZAILEHUNLU-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM N=c1nc(N2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)s[n-]1 ZINC000333015089 554559243 /nfs/dbraw/zinc/55/92/43/554559243.db2.gz XGVOHDVTKBSOMT-MGPQQGTHSA-N -1 1 364.519 2.311 20 0 FEADMM C[C@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@]2(CCCOC2)O1 ZINC000333513803 554620113 /nfs/dbraw/zinc/62/01/13/554620113.db2.gz JLWJKILAKKTABB-YWZLYKJASA-N -1 1 372.444 3.002 20 0 FEADMM CC(C)(C)c1ccc2c(c1)CN(C(=O)CNC(=O)c1ncccc1[O-])CC2 ZINC000510854797 561848533 /nfs/dbraw/zinc/84/85/33/561848533.db2.gz WIZMOMVHAORUMB-UHFFFAOYSA-N -1 1 367.449 2.399 20 0 FEADMM C[C@H]1SCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC000511073754 561855974 /nfs/dbraw/zinc/85/59/74/561855974.db2.gz REPXAJPWVDBTQH-FZKQIMNGSA-N -1 1 371.462 2.222 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCc1nc(CCC(C)C)no1 ZINC000349791897 554742824 /nfs/dbraw/zinc/74/28/24/554742824.db2.gz WPKIHNCUMZRQOJ-UHFFFAOYSA-N -1 1 361.446 2.084 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@@H]2CCOC[C@H]2C)no1 ZINC000350594795 554800707 /nfs/dbraw/zinc/80/07/07/554800707.db2.gz MDWIAIFMKLAMFF-OUAUKWLOSA-N -1 1 357.457 2.311 20 0 FEADMM O=C1CNC(=O)N1Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000350810419 554815227 /nfs/dbraw/zinc/81/52/27/554815227.db2.gz DSPUXWZZDRMQIA-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM CN(Cc1nc(-c2ccc([O-])cc2Cl)no1)c1ncnc2nc[nH]c21 ZINC000350812369 554815471 /nfs/dbraw/zinc/81/54/71/554815471.db2.gz GIFLDMZSZMLULW-UHFFFAOYSA-N -1 1 357.761 2.398 20 0 FEADMM O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350814528 554815670 /nfs/dbraw/zinc/81/56/70/554815670.db2.gz FEIYNEMOCOWSFC-VXGBXAGGSA-N -1 1 359.357 2.299 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2cncs2)no1 ZINC000350906284 554821289 /nfs/dbraw/zinc/82/12/89/554821289.db2.gz HYQJEZOGMUBCIE-UHFFFAOYSA-N -1 1 352.379 2.238 20 0 FEADMM CCOc1cc(-c2noc(Cn3cc(C(C)=O)nn3)n2)cc(Cl)c1[O-] ZINC000351099811 554836887 /nfs/dbraw/zinc/83/68/87/554836887.db2.gz ULUMQQFIZKTZBD-UHFFFAOYSA-N -1 1 363.761 2.337 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000361375123 554919413 /nfs/dbraw/zinc/91/94/13/554919413.db2.gz BXKCZENXCDWNPC-UHFFFAOYSA-N -1 1 367.467 2.043 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000362043870 554945802 /nfs/dbraw/zinc/94/58/02/554945802.db2.gz YAYLBKTUMCYDEU-UHFFFAOYSA-N -1 1 373.432 2.285 20 0 FEADMM O=C(CSCc1cccc(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362101942 554950268 /nfs/dbraw/zinc/95/02/68/554950268.db2.gz HBYQYZPXVSDOEU-GFCCVEGCSA-N -1 1 351.863 2.493 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000362275555 554959741 /nfs/dbraw/zinc/95/97/41/554959741.db2.gz AYFLURCTKCGJCB-JTQLQIEISA-N -1 1 361.711 2.086 20 0 FEADMM CCCc1nc([C@@H]([N-]S(=O)(=O)c2cccnc2)c2ccccc2)no1 ZINC000362931491 555000226 /nfs/dbraw/zinc/00/02/26/555000226.db2.gz JXABEMXWFANRLP-INIZCTEOSA-N -1 1 358.423 2.485 20 0 FEADMM COc1cc(C)c(CN(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000511824746 561881660 /nfs/dbraw/zinc/88/16/60/561881660.db2.gz JYUCNKPOFCPQMY-UHFFFAOYSA-N -1 1 370.409 2.272 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363229281 555059312 /nfs/dbraw/zinc/05/93/12/555059312.db2.gz BVUCQTLANRBPMY-SFHVURJKSA-N -1 1 371.400 2.365 20 0 FEADMM COC[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CCO1 ZINC000363282122 555070677 /nfs/dbraw/zinc/07/06/77/555070677.db2.gz HJBUEJKGRANWLD-ZDUSSCGKSA-N -1 1 366.414 2.227 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3CC[C@@H]3C)c2)n1 ZINC000511891406 561884547 /nfs/dbraw/zinc/88/45/47/561884547.db2.gz ZJPGWXOHOGAABA-FZMZJTMJSA-N -1 1 357.414 2.246 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCOc3ccc(F)cc31)c2=O ZINC000511908178 561884875 /nfs/dbraw/zinc/88/48/75/561884875.db2.gz WBHBJYQNLTUVRV-CQSZACIVSA-N -1 1 356.357 2.457 20 0 FEADMM CC(=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000363570756 555139755 /nfs/dbraw/zinc/13/97/55/555139755.db2.gz AYQWFIVCDNYHPJ-UTSBKAFOSA-N -1 1 367.331 2.222 20 0 FEADMM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363587548 555142563 /nfs/dbraw/zinc/14/25/63/555142563.db2.gz ROPGGLPJPBHYSC-CJNGLKHVSA-N -1 1 358.446 2.178 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(Cl)c1[O-] ZINC000363999774 555230498 /nfs/dbraw/zinc/23/04/98/555230498.db2.gz JLGLMMPGBYSFPJ-XWIASGKRSA-N -1 1 352.818 2.183 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1Cl ZINC000364118654 555253420 /nfs/dbraw/zinc/25/34/20/555253420.db2.gz DJIDOQBZAKBRNJ-NSHDSACASA-N -1 1 372.874 2.333 20 0 FEADMM CC(=O)N1c2ccccc2C[C@H]1C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616009964 555262987 /nfs/dbraw/zinc/26/29/87/555262987.db2.gz GDXKHIMCSMPFIF-LBPRGKRZSA-N -1 1 363.215 2.397 20 0 FEADMM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616331450 555292715 /nfs/dbraw/zinc/29/27/15/555292715.db2.gz DJJMSYNPJBSNJL-CQSZACIVSA-N -1 1 368.484 2.183 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOCC2(CCCC2)C1 ZINC000364353197 555297286 /nfs/dbraw/zinc/29/72/86/555297286.db2.gz IDOIPOTWQKKXFB-UHFFFAOYSA-N -1 1 358.442 2.013 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)c3cn(C)nc3-c3cnn(C)c3)[nH][n-]2)s1 ZINC000364606471 555350906 /nfs/dbraw/zinc/35/09/06/555350906.db2.gz YTKFVZSRQZXVFN-UHFFFAOYSA-N -1 1 367.438 2.833 20 0 FEADMM C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364744601 555391816 /nfs/dbraw/zinc/39/18/16/555391816.db2.gz FHTASXYWDJDQRV-RDTXWAMCSA-N -1 1 361.438 2.398 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3CCN(c4ccn(C)n4)C3)nc2)[n-]c(=O)c1C ZINC000364901887 555431645 /nfs/dbraw/zinc/43/16/45/555431645.db2.gz PCKRELOZOABMPB-HNNXBMFYSA-N -1 1 365.441 2.285 20 0 FEADMM CCCCCOc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000512587369 561909648 /nfs/dbraw/zinc/90/96/48/561909648.db2.gz OAFQUWYCRUCSAE-UHFFFAOYSA-N -1 1 352.416 2.030 20 0 FEADMM CCCCCOc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000512587369 561909649 /nfs/dbraw/zinc/90/96/49/561909649.db2.gz OAFQUWYCRUCSAE-UHFFFAOYSA-N -1 1 352.416 2.030 20 0 FEADMM Cc1nccc(-c2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)n1 ZINC000365107079 555486846 /nfs/dbraw/zinc/48/68/46/555486846.db2.gz XXGAQLWZDYOBHC-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC2(CCC2)C[C@H]1C ZINC000365310318 555538904 /nfs/dbraw/zinc/53/89/04/555538904.db2.gz NHQIOUJVBRXHRR-CYBMUJFWSA-N -1 1 352.438 2.474 20 0 FEADMM CC(C)CC(=O)NCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365649007 555631335 /nfs/dbraw/zinc/63/13/35/555631335.db2.gz VJRNNAGUJQVCGI-UHFFFAOYSA-N -1 1 360.454 2.366 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCC[C@@H]3CC)CC2)n1 ZINC000365767568 555663362 /nfs/dbraw/zinc/66/33/62/555663362.db2.gz CLEWSZZGAURYPZ-JSGCOSHPSA-N -1 1 363.462 2.449 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(F)c2-c2nnc[nH]2)cc1 ZINC000365833567 555678495 /nfs/dbraw/zinc/67/84/95/555678495.db2.gz NOFJXKWGOWDEFG-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000513434973 561938245 /nfs/dbraw/zinc/93/82/45/561938245.db2.gz QZERULDWFLUETJ-QWRGUYRKSA-N -1 1 360.382 2.016 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(CCO)cc1 ZINC000365910281 555698259 /nfs/dbraw/zinc/69/82/59/555698259.db2.gz QUFQVLYGIHYQFM-UHFFFAOYSA-N -1 1 364.405 2.269 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000513499345 561940954 /nfs/dbraw/zinc/94/09/54/561940954.db2.gz FUICHTBXAAAJFK-LBPRGKRZSA-N -1 1 371.359 2.098 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](OC)c2cccc(Cl)c2)c1 ZINC000513851271 561952609 /nfs/dbraw/zinc/95/26/09/561952609.db2.gz LWINRMZCGDDXFK-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@H]3CC[C@H](C)C3)CC2)n1 ZINC000366375023 555826336 /nfs/dbraw/zinc/82/63/36/555826336.db2.gz FFKIOQCYZFKSJZ-STQMWFEESA-N -1 1 363.462 2.307 20 0 FEADMM O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366708022 555914529 /nfs/dbraw/zinc/91/45/29/555914529.db2.gz FMWWJUIXHYAACK-LBPRGKRZSA-N -1 1 369.347 2.437 20 0 FEADMM O=C(NCCc1cnccn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000367767922 556134188 /nfs/dbraw/zinc/13/41/88/556134188.db2.gz FZCGWSKKQBYTFI-UHFFFAOYSA-N -1 1 354.410 2.029 20 0 FEADMM CCC[C@@H](CC)S(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000367911327 556170751 /nfs/dbraw/zinc/17/07/51/556170751.db2.gz NKPKTEFCXJAKNC-ZIAGYGMSSA-N -1 1 353.444 2.268 20 0 FEADMM COc1ccc(-n2cc(CNC(=O)c3c(F)ccc([O-])c3F)nn2)cc1 ZINC000368036727 556200751 /nfs/dbraw/zinc/20/07/51/556200751.db2.gz JUQZYVNTACUIEY-UHFFFAOYSA-N -1 1 360.320 2.190 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@H]32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000368187048 556242382 /nfs/dbraw/zinc/24/23/82/556242382.db2.gz VQTUVDUPNMMRSQ-ARFNZGECSA-N -1 1 362.392 2.106 20 0 FEADMM O=C(CCCn1cccc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368505020 556329442 /nfs/dbraw/zinc/32/94/42/556329442.db2.gz XKLUUSPGJLDYCX-OAHLLOKOSA-N -1 1 362.796 2.480 20 0 FEADMM O=C(NC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1)c1ccoc1 ZINC000368571063 556349460 /nfs/dbraw/zinc/34/94/60/556349460.db2.gz BWZBAYUGLZLPQV-UHFFFAOYSA-N -1 1 350.321 2.298 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)OC ZINC000515417918 562009801 /nfs/dbraw/zinc/00/98/01/562009801.db2.gz GIDQEEYFXQAEFA-GFCCVEGCSA-N -1 1 373.324 2.344 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000368673336 556382038 /nfs/dbraw/zinc/38/20/38/556382038.db2.gz RRTHKCQJCXXSPO-HNNXBMFYSA-N -1 1 368.441 2.045 20 0 FEADMM O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000368880237 556437288 /nfs/dbraw/zinc/43/72/88/556437288.db2.gz PHCFVDXTAJQKOP-SNVBAGLBSA-N -1 1 368.210 2.050 20 0 FEADMM O=C(CS(=O)(=O)C1CC1)Nc1c([O-])cc(Br)cc1Cl ZINC000516068620 562029629 /nfs/dbraw/zinc/02/96/29/562029629.db2.gz JCRXJFOMRXHMMT-UHFFFAOYSA-N -1 1 368.636 2.324 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2CCCCS2)n[n-]1 ZINC000516080383 562030053 /nfs/dbraw/zinc/03/00/53/562030053.db2.gz GPDVHIMXNKZIOY-RYUDHWBXSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2CCCCS2)[n-]1 ZINC000516080383 562030055 /nfs/dbraw/zinc/03/00/55/562030055.db2.gz GPDVHIMXNKZIOY-RYUDHWBXSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2CCCCS2)n1 ZINC000516080383 562030057 /nfs/dbraw/zinc/03/00/57/562030057.db2.gz GPDVHIMXNKZIOY-RYUDHWBXSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cnn3c2CCCC3)n[n-]1 ZINC000516127333 562031894 /nfs/dbraw/zinc/03/18/94/562031894.db2.gz CJUPMIVGWFTXRM-ZDUSSCGKSA-N -1 1 374.445 2.031 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cnn3c2CCCC3)[n-]1 ZINC000516127333 562031895 /nfs/dbraw/zinc/03/18/95/562031895.db2.gz CJUPMIVGWFTXRM-ZDUSSCGKSA-N -1 1 374.445 2.031 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cnn3c2CCCC3)n1 ZINC000516127333 562031896 /nfs/dbraw/zinc/03/18/96/562031896.db2.gz CJUPMIVGWFTXRM-ZDUSSCGKSA-N -1 1 374.445 2.031 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnn[n-]2)(c2ccccc2)CC1 ZINC000369495429 556611513 /nfs/dbraw/zinc/61/15/13/556611513.db2.gz ADLYLOMBNGPATO-UHFFFAOYSA-N -1 1 372.429 2.107 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nn[n-]n2)(c2ccccc2)CC1 ZINC000369495429 556611515 /nfs/dbraw/zinc/61/15/15/556611515.db2.gz ADLYLOMBNGPATO-UHFFFAOYSA-N -1 1 372.429 2.107 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000370052984 556768162 /nfs/dbraw/zinc/76/81/62/556768162.db2.gz LCKLEZVFMRRYHU-CYBMUJFWSA-N -1 1 367.427 2.200 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000516901710 562063540 /nfs/dbraw/zinc/06/35/40/562063540.db2.gz UKJKREUARYACRF-UHFFFAOYSA-N -1 1 364.287 2.293 20 0 FEADMM O=C([O-])C[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000516957765 562067433 /nfs/dbraw/zinc/06/74/33/562067433.db2.gz VMBGNFQGLUTLIB-LLVKDONJSA-N -1 1 361.377 2.007 20 0 FEADMM O=C([O-])C[C@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000516957765 562067434 /nfs/dbraw/zinc/06/74/34/562067434.db2.gz VMBGNFQGLUTLIB-LLVKDONJSA-N -1 1 361.377 2.007 20 0 FEADMM CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370848569 556989494 /nfs/dbraw/zinc/98/94/94/556989494.db2.gz AKWHSVIZSCWFIZ-INIZCTEOSA-N -1 1 373.457 2.256 20 0 FEADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(c2ccc(F)cc2)CCCCC1 ZINC000370862886 556994382 /nfs/dbraw/zinc/99/43/82/556994382.db2.gz SFYLKPJUEMTNNA-HNNXBMFYSA-N -1 1 359.405 2.141 20 0 FEADMM C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@H](c5nn[n-]n5)C4)cc3c2C1 ZINC000370871010 556997303 /nfs/dbraw/zinc/99/73/03/556997303.db2.gz XFXHBRYCHWAEQX-GTNSWQLSSA-N -1 1 366.425 2.020 20 0 FEADMM CCC(=O)c1ccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000626734061 557153610 /nfs/dbraw/zinc/15/36/10/557153610.db2.gz YGHFYTLZNXAQQH-UHFFFAOYSA-N -1 1 360.443 2.067 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)o1 ZINC000371389024 557170847 /nfs/dbraw/zinc/17/08/47/557170847.db2.gz PSKCWWTVDMFHLM-CZUORRHYSA-N -1 1 365.407 2.122 20 0 FEADMM CCc1nc(SCC(=O)NC[C@@H]2Cc3ccccc3O2)[n-]c(=O)c1C ZINC000517758768 562097389 /nfs/dbraw/zinc/09/73/89/562097389.db2.gz DFRJNOCIWOZCGC-ZDUSSCGKSA-N -1 1 359.451 2.265 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1C[C@@]12CCOc1ccccc12 ZINC000371827687 557304742 /nfs/dbraw/zinc/30/47/42/557304742.db2.gz ZBWBLUNMFCWNDJ-SCLBCKFNSA-N -1 1 357.435 2.435 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCC(c2nnc3n2CCC3)CC1 ZINC000371927416 557331004 /nfs/dbraw/zinc/33/10/04/557331004.db2.gz PMIHOSRHALFMAN-UHFFFAOYSA-N -1 1 363.421 2.498 20 0 FEADMM CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000518491871 562112717 /nfs/dbraw/zinc/11/27/17/562112717.db2.gz IBVMLHRBFVMIQZ-UHFFFAOYSA-N -1 1 371.802 2.136 20 0 FEADMM CC(C)n1cnnc1C1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000518887134 562120392 /nfs/dbraw/zinc/12/03/92/562120392.db2.gz XPYJKKGUTVRPNA-UHFFFAOYSA-N -1 1 366.425 2.115 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000519348713 562129657 /nfs/dbraw/zinc/12/96/57/562129657.db2.gz FNFLMZBMOSCZDI-AWEZNQCLSA-N -1 1 363.421 2.297 20 0 FEADMM CC1CCN(C(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000373064378 557620262 /nfs/dbraw/zinc/62/02/62/557620262.db2.gz WEMYUZYXIBOSNY-UHFFFAOYSA-N -1 1 358.438 2.072 20 0 FEADMM O=C1N=NCN1c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000373413814 557689229 /nfs/dbraw/zinc/68/92/29/557689229.db2.gz SYZKGLGJGMQMIJ-UHFFFAOYSA-N -1 1 350.787 2.427 20 0 FEADMM O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000520239944 562151600 /nfs/dbraw/zinc/15/16/00/562151600.db2.gz CZYWSXFGNSVKDH-GDBMZVCRSA-N -1 1 373.409 2.353 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1OC ZINC000520307509 562153184 /nfs/dbraw/zinc/15/31/84/562153184.db2.gz GXXLZXRQKOZYAD-UHFFFAOYSA-N -1 1 360.395 2.290 20 0 FEADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000520308035 562153199 /nfs/dbraw/zinc/15/31/99/562153199.db2.gz YLSXFLPSFRMGQG-JOCHJYFZSA-N -1 1 352.393 2.072 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@@]2(CCCOC2)O1 ZINC000373657160 557732817 /nfs/dbraw/zinc/73/28/17/557732817.db2.gz VZDRYKBLKVOUNC-JLTOFOAXSA-N -1 1 371.437 2.444 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@@]2(CCCOC2)O1 ZINC000373657160 557732818 /nfs/dbraw/zinc/73/28/18/557732818.db2.gz VZDRYKBLKVOUNC-JLTOFOAXSA-N -1 1 371.437 2.444 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)c1ccco1 ZINC000520574296 562159338 /nfs/dbraw/zinc/15/93/38/562159338.db2.gz WWSIEHMILVJZGF-JTQLQIEISA-N -1 1 361.322 2.267 20 0 FEADMM O=C([C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1)N1CCCC1 ZINC000373900608 557782980 /nfs/dbraw/zinc/78/29/80/557782980.db2.gz SKXRZGDPEMRTLO-NEPJUHHUSA-N -1 1 358.410 2.034 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCN[C@@H](c3cccc(Cl)c3)C1)c2=O ZINC000374910731 557949991 /nfs/dbraw/zinc/94/99/91/557949991.db2.gz IMSGCLACQADIDU-OAHLLOKOSA-N -1 1 371.828 2.114 20 0 FEADMM CCc1ccc(O)c(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c1 ZINC000375083368 557975081 /nfs/dbraw/zinc/97/50/81/557975081.db2.gz CYXUEKIVOKJSRC-UHFFFAOYSA-N -1 1 369.352 2.394 20 0 FEADMM O=C(N=c1ncn(C2CCCCC2)[n-]1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000375096324 557977225 /nfs/dbraw/zinc/97/72/25/557977225.db2.gz FVSAUEBRVDHWKH-HNNXBMFYSA-N -1 1 366.429 2.813 20 0 FEADMM O=C1Nc2ccccc2[C@]12CCN(Cc1nc(=O)c3sccc3[n-]1)C2 ZINC000375309298 558007153 /nfs/dbraw/zinc/00/71/53/558007153.db2.gz NEKSDUYGSPZIAY-GOSISDBHSA-N -1 1 352.419 2.493 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@@H]1CCCc2cccnc21 ZINC000375480206 558035100 /nfs/dbraw/zinc/03/51/00/558035100.db2.gz BDFRBECQQWMMBH-CYBMUJFWSA-N -1 1 363.439 2.122 20 0 FEADMM Cc1nc2c(s1)CCC[C@H]2C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000376016340 558114092 /nfs/dbraw/zinc/11/40/92/558114092.db2.gz WRNIUQCQVIGKSI-VIFPVBQESA-N -1 1 360.892 2.237 20 0 FEADMM C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N=c1[n-]nc(-c2ccon2)s1 ZINC000376170547 558136403 /nfs/dbraw/zinc/13/64/03/558136403.db2.gz CXTMEVRCYXODPF-JSGCOSHPSA-N -1 1 356.455 2.911 20 0 FEADMM CCn1cc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000376510439 558183189 /nfs/dbraw/zinc/18/31/89/558183189.db2.gz CTPJWHPLNNUKSC-UHFFFAOYSA-N -1 1 356.426 2.413 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CC[C@@H](n4ncc5ccccc54)C3)ccnc1-2 ZINC000376643986 558202121 /nfs/dbraw/zinc/20/21/21/558202121.db2.gz QTWWNJDACDNOLP-LIIAEISMSA-N -1 1 361.409 2.170 20 0 FEADMM COC(=O)c1nsc([N-]C(=O)c2cc3c(C(F)F)nn(C)c3s2)n1 ZINC000522004827 562188928 /nfs/dbraw/zinc/18/89/28/562188928.db2.gz AAACNJYJMJJSNZ-UHFFFAOYSA-N -1 1 373.366 2.463 20 0 FEADMM CC(C)n1ncc2c1[C@H](NC(=O)c1c[n-]c3c(cnn3C)c1=O)CCC2 ZINC000377362472 558325098 /nfs/dbraw/zinc/32/50/98/558325098.db2.gz NRTXGFVQUFFVGC-CQSZACIVSA-N -1 1 354.414 2.259 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000377891028 558442533 /nfs/dbraw/zinc/44/25/33/558442533.db2.gz ZYXCAFKLMRQQPO-WBVHZDCISA-N -1 1 374.387 2.396 20 0 FEADMM CC(=O)[C@@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)C(C)C ZINC000522828343 562204407 /nfs/dbraw/zinc/20/44/07/562204407.db2.gz DHPRVIBPUURFCZ-NSHDSACASA-N -1 1 351.350 2.023 20 0 FEADMM NC(=O)[C@H]1CC[C@@H](C(F)(F)F)N(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000378518680 558573771 /nfs/dbraw/zinc/57/37/71/558573771.db2.gz LCHRKXQPALSLES-XPTSAGLGSA-N -1 1 370.327 2.127 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cn3c(n2)CCCC3)o1 ZINC000378592657 558590817 /nfs/dbraw/zinc/59/08/17/558590817.db2.gz CTOWNFWWHROTON-CYBMUJFWSA-N -1 1 353.444 2.041 20 0 FEADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc2nccnc2c1Br ZINC000385146442 558606319 /nfs/dbraw/zinc/60/63/19/558606319.db2.gz PCDSANYSTGQVNO-UHFFFAOYSA-N -1 1 368.216 2.225 20 0 FEADMM CC(C)(CO)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000385645284 558606327 /nfs/dbraw/zinc/60/63/27/558606327.db2.gz KLQZKVGLSRHBPB-UHFFFAOYSA-N -1 1 363.195 2.135 20 0 FEADMM C[C@@H](CCCCO)NC(=O)c1cc(I)ccc1[O-] ZINC000398693906 558627220 /nfs/dbraw/zinc/62/72/20/558627220.db2.gz VAVRPYIZYQQDLJ-VIFPVBQESA-N -1 1 363.195 2.278 20 0 FEADMM C[C@H]1CCSCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000408345448 558668983 /nfs/dbraw/zinc/66/89/83/558668983.db2.gz BANSENWJHLFFAB-NSHDSACASA-N -1 1 360.501 2.324 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)[C@H]1CCCOC1 ZINC000409510053 558699374 /nfs/dbraw/zinc/69/93/74/558699374.db2.gz ACTKMRBWMKHOCW-DLBZAZTESA-N -1 1 369.483 2.081 20 0 FEADMM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000524745192 562233601 /nfs/dbraw/zinc/23/36/01/562233601.db2.gz IWUXTFZXUKAIFR-GFCCVEGCSA-N -1 1 373.375 2.440 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2cscn2)ccc1[N-]S(C)(=O)=O ZINC000525415081 562247830 /nfs/dbraw/zinc/24/78/30/562247830.db2.gz XYWXHYSYBZNMHF-UHFFFAOYSA-N -1 1 370.456 2.187 20 0 FEADMM COc1cc(C(=O)NCc2nc(-c3ccncc3)no2)cc(Cl)c1[O-] ZINC000525954482 562261035 /nfs/dbraw/zinc/26/10/35/562261035.db2.gz XKKMCQYADHHUAM-UHFFFAOYSA-N -1 1 360.757 2.429 20 0 FEADMM CCOc1ccncc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000414376976 559159590 /nfs/dbraw/zinc/15/95/90/559159590.db2.gz BBDRQTIIIXHGEO-UHFFFAOYSA-N -1 1 365.386 2.305 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c(S(C)(=O)=O)c1 ZINC000414401255 559161840 /nfs/dbraw/zinc/16/18/40/559161840.db2.gz VYSASPWPOYLOOI-UHFFFAOYSA-N -1 1 369.464 2.462 20 0 FEADMM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1 ZINC000414455140 559164958 /nfs/dbraw/zinc/16/49/58/559164958.db2.gz RNTOYZFJHPMBGC-ZETCQYMHSA-N -1 1 358.769 2.237 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(C)nc3c2CCCC3)c1 ZINC000414475532 559167338 /nfs/dbraw/zinc/16/73/38/559167338.db2.gz XXZLOMGYMFFVFE-UHFFFAOYSA-N -1 1 366.464 2.340 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2ccc(Br)cc2)C1=O ZINC000414652501 559177448 /nfs/dbraw/zinc/17/74/48/559177448.db2.gz HDXIUKSTHPEQIR-UONOGXRCSA-N -1 1 369.259 2.249 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000416183820 559296815 /nfs/dbraw/zinc/29/68/15/559296815.db2.gz ZCUVMYUOEFZYMG-GXTWGEPZSA-N -1 1 373.409 2.325 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000416189088 559297369 /nfs/dbraw/zinc/29/73/69/559297369.db2.gz KCXWJIPWILGLBK-UHFFFAOYSA-N -1 1 355.394 2.443 20 0 FEADMM C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000416561839 559321949 /nfs/dbraw/zinc/32/19/49/559321949.db2.gz VBJVXKURDOMJNU-SECBINFHSA-N -1 1 354.369 2.253 20 0 FEADMM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C(N)=O)c2)cc1OC ZINC000417553136 559366768 /nfs/dbraw/zinc/36/67/68/559366768.db2.gz GMRMQNPNZTZCNR-HNNXBMFYSA-N -1 1 358.394 2.108 20 0 FEADMM C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000420152711 559474964 /nfs/dbraw/zinc/47/49/64/559474964.db2.gz PKVFTTKIXDSGPV-ZVGUJKQYSA-N -1 1 368.433 2.180 20 0 FEADMM N=c1nc(N2CCN(c3nc(C4CCCCC4)ns3)CC2)s[n-]1 ZINC000420601556 559493584 /nfs/dbraw/zinc/49/35/84/559493584.db2.gz NWXJQQCYRGFFHG-UHFFFAOYSA-N -1 1 351.505 2.346 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C)OC ZINC000420657631 559495716 /nfs/dbraw/zinc/49/57/16/559495716.db2.gz AVUQKOSJXNFDMA-KGLIPLIRSA-N -1 1 368.459 2.173 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)OC ZINC000420687758 559498037 /nfs/dbraw/zinc/49/80/37/559498037.db2.gz DNYPOMHUTPIMIF-CVEARBPZSA-N -1 1 371.499 2.284 20 0 FEADMM CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000420738794 559501651 /nfs/dbraw/zinc/50/16/51/559501651.db2.gz NYWVCIOWGOZXGB-NSHDSACASA-N -1 1 352.378 2.126 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cc1F ZINC000421163226 559527955 /nfs/dbraw/zinc/52/79/55/559527955.db2.gz HOORHVULMAZDCB-AWEZNQCLSA-N -1 1 361.435 2.344 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1n[nH]c(SCc2ccccc2)n1)OC ZINC000421229634 559532443 /nfs/dbraw/zinc/53/24/43/559532443.db2.gz GYSSCNFSFVGNJL-LBPRGKRZSA-N -1 1 356.473 2.264 20 0 FEADMM COC1([C@@H](C)NC(=O)c2cc(Br)ccc2[O-])CCOCC1 ZINC000421729268 559551031 /nfs/dbraw/zinc/55/10/31/559551031.db2.gz NILNMHDRTAUALH-SNVBAGLBSA-N -1 1 358.232 2.469 20 0 FEADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1 ZINC000424060835 559653148 /nfs/dbraw/zinc/65/31/48/559653148.db2.gz DILBLFLOPISCAS-UHFFFAOYSA-N -1 1 354.472 2.383 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](n2ccnn2)C1 ZINC000425011147 559683519 /nfs/dbraw/zinc/68/35/19/559683519.db2.gz XBSUPMGANBVBTM-NSHDSACASA-N -1 1 351.204 2.224 20 0 FEADMM CS(=O)(=O)CCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000425185166 559689984 /nfs/dbraw/zinc/68/99/84/559689984.db2.gz QJKLVDZOWXZLIO-UHFFFAOYSA-N -1 1 366.313 2.158 20 0 FEADMM O=C(Cc1coc(-c2ccccc2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425298385 559695235 /nfs/dbraw/zinc/69/52/35/559695235.db2.gz WTYYPFLPLDTZRI-UHFFFAOYSA-N -1 1 354.366 2.379 20 0 FEADMM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300938 559695412 /nfs/dbraw/zinc/69/54/12/559695412.db2.gz LPMZUXGWWZOOCI-OLZOCXBDSA-N -1 1 366.462 2.058 20 0 FEADMM Cc1onc(-c2ccncc2)c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425301451 559695726 /nfs/dbraw/zinc/69/57/26/559695726.db2.gz MCLUYGZVPQBQPB-GFCCVEGCSA-N -1 1 355.354 2.153 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000426723991 559741064 /nfs/dbraw/zinc/74/10/64/559741064.db2.gz OWORVPPJCNHWEW-FZKQIMNGSA-N -1 1 359.451 2.109 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@](C)(CO)C(C)C ZINC000427385195 559754590 /nfs/dbraw/zinc/75/45/90/559754590.db2.gz TVIFXSLDFLPREE-LJQANCHMSA-N -1 1 358.442 2.008 20 0 FEADMM C[C@H](CN(C)C(=O)c1c(F)ccc(Br)c1F)c1nn[n-]n1 ZINC000427463058 559755925 /nfs/dbraw/zinc/75/59/25/559755925.db2.gz QIEUKJBZJDFZSD-ZCFIWIBFSA-N -1 1 360.162 2.116 20 0 FEADMM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000427622748 559758967 /nfs/dbraw/zinc/75/89/67/559758967.db2.gz SUPCREVLYLMJTI-SFHVURJKSA-N -1 1 360.797 2.391 20 0 FEADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)[nH]c2c1 ZINC000427626254 559759103 /nfs/dbraw/zinc/75/91/03/559759103.db2.gz NIBLTYBUAHHAFK-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCC(=O)Nc2ccccc2CC)n1 ZINC000428690544 559781229 /nfs/dbraw/zinc/78/12/29/559781229.db2.gz FGWOTAFFCHIAGY-UHFFFAOYSA-N -1 1 374.466 2.154 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)CO)c1 ZINC000429316589 559795746 /nfs/dbraw/zinc/79/57/46/559795746.db2.gz JFMSSLGALBIEEH-OAHLLOKOSA-N -1 1 367.423 2.104 20 0 FEADMM O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1ncccc1[O-] ZINC000430122726 559813635 /nfs/dbraw/zinc/81/36/35/559813635.db2.gz KTEZWKXYMWCQDO-LBPRGKRZSA-N -1 1 365.227 2.131 20 0 FEADMM O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1ncccc1[O-] ZINC000430122724 559813662 /nfs/dbraw/zinc/81/36/62/559813662.db2.gz KTEZWKXYMWCQDO-GFCCVEGCSA-N -1 1 365.227 2.131 20 0 FEADMM C[C@@H](CN=c1[n-]c(C(N)=O)cs1)Oc1ccc(Br)cc1 ZINC000432314882 559856117 /nfs/dbraw/zinc/85/61/17/559856117.db2.gz SEEADESMESDCIM-QMMMGPOBSA-N -1 1 356.245 2.884 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccccc1 ZINC000432216218 559854410 /nfs/dbraw/zinc/85/44/10/559854410.db2.gz MCJXNJJYUKTJTB-GOSISDBHSA-N -1 1 373.430 2.398 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)ccc1C ZINC000432625384 559861974 /nfs/dbraw/zinc/86/19/74/559861974.db2.gz YMUKEFYTPNYNEE-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)ccc21 ZINC000432640919 559862374 /nfs/dbraw/zinc/86/23/74/559862374.db2.gz HSPILAVLEYUDQA-UHFFFAOYSA-N -1 1 356.325 2.424 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1 ZINC000432654025 559862597 /nfs/dbraw/zinc/86/25/97/559862597.db2.gz CINMIGMSMWGILF-UHFFFAOYSA-N -1 1 363.395 2.088 20 0 FEADMM CCn1cnc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000432960926 559868946 /nfs/dbraw/zinc/86/89/46/559868946.db2.gz MHWIGKUDPVDVSD-GFCCVEGCSA-N -1 1 351.325 2.466 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1Br ZINC000527361669 562286670 /nfs/dbraw/zinc/28/66/70/562286670.db2.gz PMNATFVQCJOEIK-UHFFFAOYSA-N -1 1 359.249 2.153 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)sc1C ZINC000433783460 559887715 /nfs/dbraw/zinc/88/77/15/559887715.db2.gz OJGIJGUMRDHQQY-RBSFLKMASA-N -1 1 371.462 2.807 20 0 FEADMM COC(=O)c1[n-]c(=N[C@H](C)c2ccc(OCCO)c(OC)c2)sc1C ZINC000434083349 559893842 /nfs/dbraw/zinc/89/38/42/559893842.db2.gz PHWAIKUAOITERT-SNVBAGLBSA-N -1 1 366.439 2.791 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H]([C@H](O)C(F)(F)F)C3)cnc2n1 ZINC000434499994 559901808 /nfs/dbraw/zinc/90/18/08/559901808.db2.gz PERSGNALYDKTPZ-HZMBPMFUSA-N -1 1 369.343 2.419 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H]([C@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000434499994 559901809 /nfs/dbraw/zinc/90/18/09/559901809.db2.gz PERSGNALYDKTPZ-HZMBPMFUSA-N -1 1 369.343 2.419 20 0 FEADMM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)N(C)C ZINC000434960296 559913412 /nfs/dbraw/zinc/91/34/12/559913412.db2.gz QYNFWVMBBCYENW-AWEZNQCLSA-N -1 1 369.512 2.350 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000435227061 559918181 /nfs/dbraw/zinc/91/81/81/559918181.db2.gz QUCXDAGFHDKBIO-AWEZNQCLSA-N -1 1 368.480 2.213 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NCCN2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC000435472617 559923835 /nfs/dbraw/zinc/92/38/35/559923835.db2.gz XGCQQOITJKSDNV-UHFFFAOYSA-N -1 1 368.499 2.402 20 0 FEADMM CC(C)(NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nn[n-]n1 ZINC000435755729 559929604 /nfs/dbraw/zinc/92/96/04/559929604.db2.gz MBCUZNBAAYCGAW-UHFFFAOYSA-N -1 1 366.212 2.357 20 0 FEADMM COc1ccc(-c2ccn(-c3ccc(SCc4nn[n-]n4)nn3)n2)cc1 ZINC000436246370 559938359 /nfs/dbraw/zinc/93/83/59/559938359.db2.gz QJLVCTDKRQYMOL-UHFFFAOYSA-N -1 1 366.410 2.143 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NC(=O)Nc2ccc(OC)cc2)n1 ZINC000436255148 559938566 /nfs/dbraw/zinc/93/85/66/559938566.db2.gz WHLNZERZGUUUER-UHFFFAOYSA-N -1 1 362.411 2.194 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2C2N=NC(=O)O2)cs1 ZINC000436477457 559942488 /nfs/dbraw/zinc/94/24/88/559942488.db2.gz LYKZZYWUQLYUQZ-UHFFFAOYSA-N -1 1 367.364 2.003 20 0 FEADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000436475981 559942498 /nfs/dbraw/zinc/94/24/98/559942498.db2.gz DCVWGEFOUSUJER-UHFFFAOYSA-N -1 1 366.464 2.381 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c1 ZINC000436503827 559943466 /nfs/dbraw/zinc/94/34/66/559943466.db2.gz LCVOIUYWRNOXKR-SECBINFHSA-N -1 1 356.334 2.151 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](NC(C)=O)c2cccs2)c1 ZINC000436502772 559943543 /nfs/dbraw/zinc/94/35/43/559943543.db2.gz DLDGXHMMIRXGMU-CYBMUJFWSA-N -1 1 362.407 2.446 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](NC(C)=O)c2ccccc2)c1 ZINC000436502239 559943551 /nfs/dbraw/zinc/94/35/51/559943551.db2.gz COTCGUOOPIZXIF-HNNXBMFYSA-N -1 1 356.378 2.385 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2nc(-c3ccco3)no2)c1 ZINC000436513937 559943952 /nfs/dbraw/zinc/94/39/52/559943952.db2.gz NWQLPYKSJPGGSV-UHFFFAOYSA-N -1 1 357.322 2.393 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000436519934 559944108 /nfs/dbraw/zinc/94/41/08/559944108.db2.gz SHNONMCHKNVRJT-UHFFFAOYSA-N -1 1 363.391 2.143 20 0 FEADMM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436541318 559944883 /nfs/dbraw/zinc/94/48/83/559944883.db2.gz ZOFCUSADFMFCRI-AWEZNQCLSA-N -1 1 374.872 2.381 20 0 FEADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000436576029 559945746 /nfs/dbraw/zinc/94/57/46/559945746.db2.gz PJSRTXIIYIRCRN-HLLBOEOZSA-N -1 1 354.381 2.418 20 0 FEADMM O=C(Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1)NCCO ZINC000436591827 559946276 /nfs/dbraw/zinc/94/62/76/559946276.db2.gz YDDRYNRAPJREQU-UHFFFAOYSA-N -1 1 364.401 2.449 20 0 FEADMM O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000436607751 559946439 /nfs/dbraw/zinc/94/64/39/559946439.db2.gz PHIQNKRQLJONBH-MRXNPFEDSA-N -1 1 354.341 2.364 20 0 FEADMM C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436630386 559947045 /nfs/dbraw/zinc/94/70/45/559947045.db2.gz NGHHGWPERBCSDJ-VFNWGFHPSA-N -1 1 369.417 2.144 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000436687222 559948863 /nfs/dbraw/zinc/94/88/63/559948863.db2.gz HWGUSKPINQXTBK-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436688700 559948899 /nfs/dbraw/zinc/94/88/99/559948899.db2.gz VCWNVRDFMOYZQH-OAHLLOKOSA-N -1 1 362.451 2.089 20 0 FEADMM O=C(CCNC(=O)c1ccc(Br)cc1[O-])Nc1cccnc1 ZINC000436694137 559949007 /nfs/dbraw/zinc/94/90/07/559949007.db2.gz GEJQJRAXDFOWPD-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)c([O-])c1 ZINC000436709155 559949641 /nfs/dbraw/zinc/94/96/41/559949641.db2.gz MDGVDRQCJMUNJB-UHFFFAOYSA-N -1 1 358.325 2.446 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCOCC1 ZINC000436755362 559950954 /nfs/dbraw/zinc/95/09/54/559950954.db2.gz LMRYACVHFJIDOT-CQSZACIVSA-N -1 1 371.275 2.241 20 0 FEADMM O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc([O-])cc1 ZINC000436766819 559951125 /nfs/dbraw/zinc/95/11/25/559951125.db2.gz TXDWRNPQTDYWHG-UHFFFAOYSA-N -1 1 361.781 2.358 20 0 FEADMM CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC000436823337 559953253 /nfs/dbraw/zinc/95/32/53/559953253.db2.gz AHWHSXRCCLSSJU-UHFFFAOYSA-N -1 1 356.350 2.173 20 0 FEADMM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000436842149 559953837 /nfs/dbraw/zinc/95/38/37/559953837.db2.gz XJBYODAEMMUFJZ-LBPRGKRZSA-N -1 1 355.232 2.238 20 0 FEADMM O=C(CCOC[C@H]1CCCO1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915535 559956319 /nfs/dbraw/zinc/95/63/19/559956319.db2.gz OOXPSOIIPHCERF-LLVKDONJSA-N -1 1 366.805 2.355 20 0 FEADMM O=C(CCOC[C@H]1CCCO1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915535 559956320 /nfs/dbraw/zinc/95/63/20/559956320.db2.gz OOXPSOIIPHCERF-LLVKDONJSA-N -1 1 366.805 2.355 20 0 FEADMM O=C(N[C@@H](CO)c1cccc(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000436995429 559958901 /nfs/dbraw/zinc/95/89/01/559958901.db2.gz DABJEZGFJYEOBH-AWEZNQCLSA-N -1 1 364.195 2.187 20 0 FEADMM COC(=O)[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)Cc1cccc(C)c1 ZINC000436993436 559959084 /nfs/dbraw/zinc/95/90/84/559959084.db2.gz CBVVBVNEAVOZFD-INIZCTEOSA-N -1 1 355.390 2.031 20 0 FEADMM O=C(C(=O)N1CCCN(C(=O)c2ccccc2F)CC1)c1ccc([O-])cc1 ZINC000437007706 559959348 /nfs/dbraw/zinc/95/93/48/559959348.db2.gz WIFQOBKAJVVRAE-UHFFFAOYSA-N -1 1 370.380 2.089 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)c1C ZINC000438234453 559975948 /nfs/dbraw/zinc/97/59/48/559975948.db2.gz LCZKRVAKSZVEJU-UHFFFAOYSA-N -1 1 367.427 2.023 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c1N ZINC000439249991 559990868 /nfs/dbraw/zinc/99/08/68/559990868.db2.gz LJQUPWZOJQOLHE-UHFFFAOYSA-N -1 1 368.386 2.312 20 0 FEADMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1F ZINC000440735741 560017355 /nfs/dbraw/zinc/01/73/55/560017355.db2.gz XUIIOWSCVNQEMC-LLVKDONJSA-N -1 1 374.368 2.465 20 0 FEADMM CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000442341731 560049471 /nfs/dbraw/zinc/04/94/71/560049471.db2.gz LVYZLPFJNNPWKY-UHFFFAOYSA-N -1 1 365.363 2.068 20 0 FEADMM Cn1nccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442840966 560059525 /nfs/dbraw/zinc/05/95/25/560059525.db2.gz NCZFMNLTHCZBQF-UHFFFAOYSA-N -1 1 352.160 2.262 20 0 FEADMM COc1cc(C(=O)N(C)CC(=O)NCc2ccccc2)cc(Cl)c1[O-] ZINC000442977328 560064748 /nfs/dbraw/zinc/06/47/48/560064748.db2.gz VPRHOMQYKVVWNK-UHFFFAOYSA-N -1 1 362.813 2.443 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc(Cl)c1[O-] ZINC000443074357 560069552 /nfs/dbraw/zinc/06/95/52/560069552.db2.gz QQVZQTZJONVJRD-IACUBPJLSA-N -1 1 355.818 2.463 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1c(C)cc(C)cc1C ZINC000443107268 560070980 /nfs/dbraw/zinc/07/09/80/560070980.db2.gz SQDDRNRLJNLLRK-UHFFFAOYSA-N -1 1 365.455 2.033 20 0 FEADMM COC(=O)c1cn(-c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)nn1 ZINC000443420829 560083597 /nfs/dbraw/zinc/08/35/97/560083597.db2.gz VYHUWWSPGKFYOF-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)c(OC)c1 ZINC000443422351 560083820 /nfs/dbraw/zinc/08/38/20/560083820.db2.gz IQYWQJVZIVIFIP-UHFFFAOYSA-N -1 1 362.407 2.308 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC(=O)N1 ZINC000444347351 560110308 /nfs/dbraw/zinc/11/03/08/560110308.db2.gz VKJIYQNTYYBMFV-CHWSQXEVSA-N -1 1 373.453 2.308 20 0 FEADMM COCCc1cc(O)ccc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000444607218 560116642 /nfs/dbraw/zinc/11/66/42/560116642.db2.gz HZNMCJGJXAOPOE-UHFFFAOYSA-N -1 1 370.409 2.127 20 0 FEADMM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000444625768 560117054 /nfs/dbraw/zinc/11/70/54/560117054.db2.gz PVCWBIMCPSCDDV-GFCCVEGCSA-N -1 1 365.315 2.150 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3Cc4ccccc43)CC2)n1 ZINC000444666147 560117776 /nfs/dbraw/zinc/11/77/76/560117776.db2.gz WJFCRKSXWMAGDI-HNNXBMFYSA-N -1 1 354.410 2.027 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)CNC(=O)c3cccc(O)c3)[nH][n-]2)c1 ZINC000444775961 560120595 /nfs/dbraw/zinc/12/05/95/560120595.db2.gz BMUSCUHEYYTCHP-UHFFFAOYSA-N -1 1 368.368 2.598 20 0 FEADMM C[C@@H](CC1CCCCC1)NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000446988654 560154962 /nfs/dbraw/zinc/15/49/62/560154962.db2.gz ZHIKOMSKJGODHD-LBPRGKRZSA-N -1 1 352.508 2.311 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2ccc3c(c2)CCC3)n1 ZINC000447477120 560163004 /nfs/dbraw/zinc/16/30/04/560163004.db2.gz FUCHAWQLNROQNL-UHFFFAOYSA-N -1 1 362.455 2.003 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)CCC3)n[n-]1 ZINC000447477120 560163005 /nfs/dbraw/zinc/16/30/05/560163005.db2.gz FUCHAWQLNROQNL-UHFFFAOYSA-N -1 1 362.455 2.003 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OCC)nc1)c1ccccc1 ZINC000447751059 560168429 /nfs/dbraw/zinc/16/84/29/560168429.db2.gz OYRIUKYMUNTEMX-MRXNPFEDSA-N -1 1 364.423 2.063 20 0 FEADMM CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000448183499 560180023 /nfs/dbraw/zinc/18/00/23/560180023.db2.gz WPMQPIHVQODDIX-CQSZACIVSA-N -1 1 374.890 2.437 20 0 FEADMM CC(C)OC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000449152496 560218235 /nfs/dbraw/zinc/21/82/35/560218235.db2.gz GAQXAGVHSJMOSI-UHFFFAOYSA-N -1 1 370.471 2.319 20 0 FEADMM Cc1sccc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000449923162 560245349 /nfs/dbraw/zinc/24/53/49/560245349.db2.gz NRJNKKDQYNVURB-UHFFFAOYSA-N -1 1 352.437 2.455 20 0 FEADMM Cc1cc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000450072077 560249926 /nfs/dbraw/zinc/24/99/26/560249926.db2.gz DUNFHQQIVAXMAO-UHFFFAOYSA-N -1 1 371.388 2.410 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC(C)C)c(F)c1 ZINC000450968715 560280504 /nfs/dbraw/zinc/28/05/04/560280504.db2.gz NJRURBWOBGNLLB-UHFFFAOYSA-N -1 1 366.480 2.302 20 0 FEADMM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1cc2cc(F)ccc2o1 ZINC000451005389 560281982 /nfs/dbraw/zinc/28/19/82/560281982.db2.gz YEFNRSPQGSDNNQ-CQSZACIVSA-N -1 1 357.403 2.436 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](CC)C(F)F)c1 ZINC000451087957 560286337 /nfs/dbraw/zinc/28/63/37/560286337.db2.gz VSUHFIRMSRQDQJ-JTQLQIEISA-N -1 1 369.361 2.333 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000451116070 560287997 /nfs/dbraw/zinc/28/79/97/560287997.db2.gz PJUJPHDOYJCUOL-UHFFFAOYSA-N -1 1 356.835 2.395 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000451476022 560309267 /nfs/dbraw/zinc/30/92/67/560309267.db2.gz DLAIIFLKFIBLIQ-KBPBESRZSA-N -1 1 351.827 2.093 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)NCCF ZINC000451506799 560310976 /nfs/dbraw/zinc/31/09/76/560310976.db2.gz VXRVRTWKNLLIPY-QMMMGPOBSA-N -1 1 364.851 2.307 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC)COCC(F)(F)F)o1 ZINC000451645804 560319107 /nfs/dbraw/zinc/31/91/07/560319107.db2.gz BYZYDCKXZMDZNM-VIFPVBQESA-N -1 1 373.349 2.092 20 0 FEADMM O=S(=O)([N-]C1(CF)CCOCC1)c1ccc(Br)cc1F ZINC000451740391 560325777 /nfs/dbraw/zinc/32/57/77/560325777.db2.gz XRLUHZSLLUJKFS-UHFFFAOYSA-N -1 1 370.215 2.385 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)o1 ZINC000451954669 560340412 /nfs/dbraw/zinc/34/04/12/560340412.db2.gz BDYDBBSTCIRTJD-UHFFFAOYSA-N -1 1 356.400 2.102 20 0 FEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccncc1 ZINC000452046151 560347660 /nfs/dbraw/zinc/34/76/60/560347660.db2.gz HDLKUADFHLXCJG-CQSZACIVSA-N -1 1 370.377 2.333 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCC1 ZINC000452076024 560349770 /nfs/dbraw/zinc/34/97/70/560349770.db2.gz YMOSGORSTYXNSS-JTQLQIEISA-N -1 1 364.464 2.054 20 0 FEADMM CN(CC(C)(C)CO)C(=O)c1ccc(I)c([O-])c1 ZINC000452898956 560377250 /nfs/dbraw/zinc/37/72/50/560377250.db2.gz DQTLOIUBYXMWPE-UHFFFAOYSA-N -1 1 363.195 2.087 20 0 FEADMM CCc1[n-][nH]c(=NCc2c(C)nc3sc(C)nn23)c1Br ZINC000453047287 560382366 /nfs/dbraw/zinc/38/23/66/560382366.db2.gz HZGBDNLDZRVJPF-UHFFFAOYSA-N -1 1 355.265 3.068 20 0 FEADMM CC[C@@H](C)[C@H](CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)OC ZINC000454773883 560457741 /nfs/dbraw/zinc/45/77/41/560457741.db2.gz MXABOSAPVDQLKG-ABAIWWIYSA-N -1 1 373.475 2.249 20 0 FEADMM CC[C@@H]1CN(CC)CCN1C(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000454983959 560466165 /nfs/dbraw/zinc/46/61/65/560466165.db2.gz PTJLMULQTSYVGC-SECBINFHSA-N -1 1 351.398 2.591 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC1(Cc2cccc(Cl)c2)CC1 ZINC000456720925 560530848 /nfs/dbraw/zinc/53/08/48/560530848.db2.gz FMBLIHDDKRWBLI-UHFFFAOYSA-N -1 1 359.813 2.062 20 0 FEADMM O=C(NC[C@@H](O)C1CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000456903383 560536875 /nfs/dbraw/zinc/53/68/75/560536875.db2.gz PCYLHBLIBYCUMJ-GOSISDBHSA-N -1 1 374.462 2.378 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000457121900 560550915 /nfs/dbraw/zinc/55/09/15/560550915.db2.gz PYEFXEAACJEEEE-UHFFFAOYSA-N -1 1 356.348 2.395 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCOC(C)(C)C2)c(=O)[n-]1 ZINC000457159224 560553772 /nfs/dbraw/zinc/55/37/72/560553772.db2.gz OUMPISDRPAJXNS-LBPRGKRZSA-N -1 1 353.488 2.467 20 0 FEADMM Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000457702108 560582507 /nfs/dbraw/zinc/58/25/07/560582507.db2.gz BGDVXNHCGGBBLI-LBPRGKRZSA-N -1 1 359.430 2.339 20 0 FEADMM O=c1cc(C[NH+]2CCC(Nc3cccnn3)CC2)nc(-c2ccccc2)[nH]1 ZINC000459342226 560680813 /nfs/dbraw/zinc/68/08/13/560680813.db2.gz WYECFWGJGGLZRX-UHFFFAOYSA-N -1 1 362.437 2.716 20 0 FEADMM Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c([O-])c1 ZINC000460125551 560735838 /nfs/dbraw/zinc/73/58/38/560735838.db2.gz AUEZZFYWFXPOHA-MRXNPFEDSA-N -1 1 353.422 2.059 20 0 FEADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000460546297 560746220 /nfs/dbraw/zinc/74/62/20/560746220.db2.gz CBRHLCAFBCJAAN-UHFFFAOYSA-N -1 1 373.438 2.207 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(F)cn2)no1 ZINC000460619081 560747319 /nfs/dbraw/zinc/74/73/19/560747319.db2.gz ICNSBFGWZSKSNR-MRVPVSSYSA-N -1 1 354.388 2.372 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000460838360 560753026 /nfs/dbraw/zinc/75/30/26/560753026.db2.gz ICLQSZCLLABXDR-UHFFFAOYSA-N -1 1 359.411 2.077 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(C4CCC4)c3)cc2[nH]c1=O ZINC000461328680 560766770 /nfs/dbraw/zinc/76/67/70/560766770.db2.gz AGBLPWWFTDVUMG-UHFFFAOYSA-N -1 1 371.418 2.285 20 0 FEADMM Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)c2nn[n-]n2)c(Br)c1 ZINC000461633302 560778105 /nfs/dbraw/zinc/77/81/05/560778105.db2.gz FCVGAIZRTVANLL-VIFPVBQESA-N -1 1 368.235 2.089 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000461460762 560772388 /nfs/dbraw/zinc/77/23/88/560772388.db2.gz OQYNVRMNRIBLFW-UHFFFAOYSA-N -1 1 354.815 2.135 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2OC)c1 ZINC000461460322 560772531 /nfs/dbraw/zinc/77/25/31/560772531.db2.gz LOVJDDZTMLAVPT-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3cnccc32)c1 ZINC000461465259 560772863 /nfs/dbraw/zinc/77/28/63/560772863.db2.gz OBJJUBJMUDHEEL-UHFFFAOYSA-N -1 1 357.391 2.101 20 0 FEADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000461796692 560784213 /nfs/dbraw/zinc/78/42/13/560784213.db2.gz NVFAOFPCBUFNIS-CHWSQXEVSA-N -1 1 370.471 2.034 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)cc12 ZINC000462100996 560797197 /nfs/dbraw/zinc/79/71/97/560797197.db2.gz HJOTWYIFQBXWTE-UHFFFAOYSA-N -1 1 365.342 2.478 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000462105730 560797538 /nfs/dbraw/zinc/79/75/38/560797538.db2.gz VERBJKHVAGQUHM-UHFFFAOYSA-N -1 1 351.380 2.137 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)C)C2(C)C)o1 ZINC000463866104 560827349 /nfs/dbraw/zinc/82/73/49/560827349.db2.gz PFWPKZNDOKNSKC-STQMWFEESA-N -1 1 359.444 2.327 20 0 FEADMM COc1cc(NC(=O)Cc2c[nH]c3ncccc23)ccc1[N-]S(C)(=O)=O ZINC000464861808 560853908 /nfs/dbraw/zinc/85/39/08/560853908.db2.gz DSWQVEIGBZRVAQ-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM CC(=O)N(C)c1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000467073044 560902878 /nfs/dbraw/zinc/90/28/78/560902878.db2.gz PPELOCKCRMSXRC-UHFFFAOYSA-N -1 1 354.409 2.230 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000467727123 560916184 /nfs/dbraw/zinc/91/61/84/560916184.db2.gz APNODTSUBPRDBB-UHFFFAOYSA-N -1 1 373.434 2.437 20 0 FEADMM Cc1csc(C(=O)Nc2ccncc2[O-])c1I ZINC000468795445 560938964 /nfs/dbraw/zinc/93/89/64/560938964.db2.gz CIVJIZTWZSXNBR-UHFFFAOYSA-N -1 1 360.176 2.436 20 0 FEADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2)n[nH]1 ZINC000468874372 560941186 /nfs/dbraw/zinc/94/11/86/560941186.db2.gz GKYRLGILNHKBCL-UHFFFAOYSA-N -1 1 372.406 2.410 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)cc1 ZINC000469980262 560970518 /nfs/dbraw/zinc/97/05/18/560970518.db2.gz DWIGJGKJGWWYHR-UHFFFAOYSA-N -1 1 352.412 2.225 20 0 FEADMM O=C(Cc1csc(-c2ccccc2Cl)n1)NC1(c2nn[n-]n2)CC1 ZINC000470976235 560995730 /nfs/dbraw/zinc/99/57/30/560995730.db2.gz PZLDIYYLRZMWRI-UHFFFAOYSA-N -1 1 360.830 2.325 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1)c1cccs1 ZINC000472123372 561018736 /nfs/dbraw/zinc/01/87/36/561018736.db2.gz BCKVHBIVRPGDNU-HNNXBMFYSA-N -1 1 368.480 2.315 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)ccc1OC ZINC000472426851 561026280 /nfs/dbraw/zinc/02/62/80/561026280.db2.gz BGLMJYYORZPHCF-UHFFFAOYSA-N -1 1 367.427 2.204 20 0 FEADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1 ZINC000473507751 561051518 /nfs/dbraw/zinc/05/15/18/561051518.db2.gz VICBSJABMMNBND-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM COCCC[C@H](Cc1ccccc1)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000473521351 561051748 /nfs/dbraw/zinc/05/17/48/561051748.db2.gz JIOXXKBWZDUAJI-OAHLLOKOSA-N -1 1 368.437 2.442 20 0 FEADMM O=S(=O)([N-]Cc1nnc2n1CCC2)c1ccc(Cl)c(F)c1Cl ZINC000473910696 561060538 /nfs/dbraw/zinc/06/05/38/561060538.db2.gz HJWSSMSAFRUMDB-UHFFFAOYSA-N -1 1 365.217 2.149 20 0 FEADMM Cn1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000473932644 561061089 /nfs/dbraw/zinc/06/10/89/561061089.db2.gz MXYYTMLRJREUDK-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)[nH]n1 ZINC000474428984 561073966 /nfs/dbraw/zinc/07/39/66/561073966.db2.gz VQLDWBUYQDMJQK-UHFFFAOYSA-N -1 1 350.444 2.111 20 0 FEADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc2[nH]1 ZINC000475832257 561106539 /nfs/dbraw/zinc/10/65/39/561106539.db2.gz JFIVOUZLWXZHPP-UHFFFAOYSA-N -1 1 373.390 2.057 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000476057658 561110556 /nfs/dbraw/zinc/11/05/56/561110556.db2.gz BVUJFCYWABLUMF-UHFFFAOYSA-N -1 1 369.826 2.144 20 0 FEADMM CC(C)c1cc(C(=O)NC2(c3nn[n-]n3)CC2)c2cnn(C(C)C)c2n1 ZINC000477021853 561134422 /nfs/dbraw/zinc/13/44/22/561134422.db2.gz SXVXYOFIQWKPLU-UHFFFAOYSA-N -1 1 354.418 2.068 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1F ZINC000477166976 561138204 /nfs/dbraw/zinc/13/82/04/561138204.db2.gz UOIFZMSTLVRFLP-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM Cc1cc(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)ncc1Cl ZINC000528566036 562336642 /nfs/dbraw/zinc/33/66/42/562336642.db2.gz CLWUBCKECXMCNH-UHFFFAOYSA-N -1 1 359.817 2.267 20 0 FEADMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000530167104 562400948 /nfs/dbraw/zinc/40/09/48/562400948.db2.gz TXHHRVQPRUWUOF-KZULUSFZSA-N -1 1 356.378 2.185 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nn[n-]n1 ZINC000530960041 562430028 /nfs/dbraw/zinc/43/00/28/562430028.db2.gz ZRTHGDRHUJSRTB-LLVKDONJSA-N -1 1 351.794 2.286 20 0 FEADMM COc1ccc(NC(=O)c2ccc3n[nH]cc3c2)cc1[N-]S(C)(=O)=O ZINC000531307906 562441672 /nfs/dbraw/zinc/44/16/72/562441672.db2.gz FUUFFQIRQHUBJS-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000531531232 562448765 /nfs/dbraw/zinc/44/87/65/562448765.db2.gz UDMYBOZRQBFRHM-LLVKDONJSA-N -1 1 358.423 2.068 20 0 FEADMM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000531686881 562454112 /nfs/dbraw/zinc/45/41/12/562454112.db2.gz KJVWOLVAKRMVGO-NKWVEPMBSA-N -1 1 357.284 2.377 20 0 FEADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000532037253 562464738 /nfs/dbraw/zinc/46/47/38/562464738.db2.gz GTUGTANSMYVRRY-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM O=C([O-])C1(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CCCC1 ZINC000532711889 562486383 /nfs/dbraw/zinc/48/63/83/562486383.db2.gz OSLXCZDOGFZXMC-HNNXBMFYSA-N -1 1 374.437 2.108 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000532844405 562490376 /nfs/dbraw/zinc/49/03/76/562490376.db2.gz OMBRYTZCKZBWRY-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000533520573 562511477 /nfs/dbraw/zinc/51/14/77/562511477.db2.gz FPMDTDUMQDQNIR-JKSUJKDBSA-N -1 1 372.469 2.259 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)co1 ZINC000533684370 562516052 /nfs/dbraw/zinc/51/60/52/562516052.db2.gz KNVJAQKFCAIVND-JTQLQIEISA-N -1 1 352.387 2.086 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)C(=O)Cc2ccccc2)c(=O)[n-]1 ZINC000533876387 562520429 /nfs/dbraw/zinc/52/04/29/562520429.db2.gz PLQXCIILXYSTFH-ZDUSSCGKSA-N -1 1 373.478 2.462 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000533950790 562522187 /nfs/dbraw/zinc/52/21/87/562522187.db2.gz OZRKUUAWMBCKOL-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)c1 ZINC000534884017 562544644 /nfs/dbraw/zinc/54/46/44/562544644.db2.gz WCAWXRYDFOGYAE-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(CC(F)F)CC1CCC1 ZINC000534894893 562544855 /nfs/dbraw/zinc/54/48/55/562544855.db2.gz BHXJAILKZINEBS-UHFFFAOYSA-N -1 1 352.385 2.488 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000534973287 562546464 /nfs/dbraw/zinc/54/64/64/562546464.db2.gz FYEWYQFCQKTYDE-UHFFFAOYSA-N -1 1 357.334 2.045 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C(F)(F)F)co1 ZINC000535137448 562551626 /nfs/dbraw/zinc/55/16/26/562551626.db2.gz MFNAYNWLFBWODR-UHFFFAOYSA-N -1 1 362.329 2.137 20 0 FEADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000536495297 562576875 /nfs/dbraw/zinc/57/68/75/562576875.db2.gz AFOUBGFGSJLFOK-UHFFFAOYSA-N -1 1 355.437 2.213 20 0 FEADMM COc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc1 ZINC000536497477 562577046 /nfs/dbraw/zinc/57/70/46/562577046.db2.gz JBVYVVWVDUNFAR-UHFFFAOYSA-N -1 1 362.407 2.094 20 0 FEADMM CCc1nc2cc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)ccc2o1 ZINC000542002707 562625470 /nfs/dbraw/zinc/62/54/70/562625470.db2.gz BMZXJQHKTLRWCZ-UHFFFAOYSA-N -1 1 370.394 2.371 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CN1c1ccccc1 ZINC000546539426 562637586 /nfs/dbraw/zinc/63/75/86/562637586.db2.gz XLUFWDBWOINMKI-HNNXBMFYSA-N -1 1 350.827 2.175 20 0 FEADMM O=c1cc(/C=C\c2ccccc2I)nc2nc[n-]n21 ZINC000806570505 674381428 /nfs/dbraw/zinc/38/14/28/674381428.db2.gz BLFOVJJRZSZULV-WAYWQWQTSA-N -1 1 364.146 2.193 20 0 FEADMM O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000806745116 674388882 /nfs/dbraw/zinc/38/88/82/674388882.db2.gz MRBCDSBCABYCTH-INIZCTEOSA-N -1 1 353.296 2.141 20 0 FEADMM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000601749356 567834923 /nfs/dbraw/zinc/83/49/23/567834923.db2.gz LXJUUYWRTXKTES-ZUZCIYMTSA-N -1 1 361.316 2.204 20 0 FEADMM CCOC(=O)[C@@]1(C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000601901914 567870342 /nfs/dbraw/zinc/87/03/42/567870342.db2.gz QRCBOIJDKVPPIE-OAHLLOKOSA-N -1 1 361.316 2.205 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)CC2(OC)CCC2)c1 ZINC000601977053 567894181 /nfs/dbraw/zinc/89/41/81/567894181.db2.gz JZFRSVJAWVZGRD-UHFFFAOYSA-N -1 1 371.455 2.321 20 0 FEADMM COCc1cc([N-]S(=O)(=O)CCOCC2CCC2)cc(C(=O)OC)c1 ZINC000601977074 567894266 /nfs/dbraw/zinc/89/42/66/567894266.db2.gz KPOHDIWLCIDTQU-UHFFFAOYSA-N -1 1 371.455 2.178 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(F)cc(OC(F)F)c1 ZINC000601978348 567894746 /nfs/dbraw/zinc/89/47/46/567894746.db2.gz PMISIEZOJIWRAT-UHFFFAOYSA-N -1 1 355.334 2.368 20 0 FEADMM COC(=O)c1nc[nH]c1NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000602330568 567969059 /nfs/dbraw/zinc/96/90/59/567969059.db2.gz WQJPPWZSIQFBKK-BXKDBHETSA-N -1 1 369.299 2.317 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)n[n-]1 ZINC000603020114 568052353 /nfs/dbraw/zinc/05/23/53/568052353.db2.gz WYHCXGLRQHXJQL-UHFFFAOYSA-N -1 1 362.817 2.373 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(c3cccc(Cl)c3)CCC2)n1 ZINC000603020114 568052354 /nfs/dbraw/zinc/05/23/54/568052354.db2.gz WYHCXGLRQHXJQL-UHFFFAOYSA-N -1 1 362.817 2.373 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCc2ccc(C(F)F)cc2)n[n-]1 ZINC000603021349 568052442 /nfs/dbraw/zinc/05/24/42/568052442.db2.gz KOIQPDJBVDRYQL-UHFFFAOYSA-N -1 1 352.341 2.168 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2ccc(C(F)F)cc2)n1 ZINC000603021349 568052443 /nfs/dbraw/zinc/05/24/43/568052443.db2.gz KOIQPDJBVDRYQL-UHFFFAOYSA-N -1 1 352.341 2.168 20 0 FEADMM C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000669120242 568055364 /nfs/dbraw/zinc/05/53/64/568055364.db2.gz RYVMRMOMWJZAQV-SMDDNHRTSA-N -1 1 364.396 2.268 20 0 FEADMM C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000669120239 568055376 /nfs/dbraw/zinc/05/53/76/568055376.db2.gz RYVMRMOMWJZAQV-BXUZGUMPSA-N -1 1 364.396 2.268 20 0 FEADMM CSc1nc(CNC(=O)CSCC(=O)c2ccccc2)cc(=O)[n-]1 ZINC000603152966 568065209 /nfs/dbraw/zinc/06/52/09/568065209.db2.gz REVANEJOOPQYNF-UHFFFAOYSA-N -1 1 363.464 2.136 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1cc(C)cc(C)c1 ZINC000603310056 568084649 /nfs/dbraw/zinc/08/46/49/568084649.db2.gz OPMWAIFIPFVGBW-DZGCQCFKSA-N -1 1 361.410 2.482 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000603546232 568117904 /nfs/dbraw/zinc/11/79/04/568117904.db2.gz FSHRHBKZFVDCHH-OFQRWUPVSA-N -1 1 355.348 2.487 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@H]1CCCOC1 ZINC000628305856 568249848 /nfs/dbraw/zinc/24/98/48/568249848.db2.gz YVDZDLAWYRGMHD-OAHLLOKOSA-N -1 1 370.453 2.418 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cnsn1 ZINC000738111142 598836865 /nfs/dbraw/zinc/83/68/65/598836865.db2.gz ISEHEHAHGKZNOZ-UHFFFAOYSA-N -1 1 369.435 2.377 20 0 FEADMM CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736841995 598867037 /nfs/dbraw/zinc/86/70/37/598867037.db2.gz LHHCRGIPFZUJGQ-UHFFFAOYSA-N -1 1 367.793 2.484 20 0 FEADMM CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736841995 598867039 /nfs/dbraw/zinc/86/70/39/598867039.db2.gz LHHCRGIPFZUJGQ-UHFFFAOYSA-N -1 1 367.793 2.484 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000738354650 598867430 /nfs/dbraw/zinc/86/74/30/598867430.db2.gz IMSODJCQBHZGDR-UHFFFAOYSA-N -1 1 361.814 2.272 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000738354650 598867431 /nfs/dbraw/zinc/86/74/31/598867431.db2.gz IMSODJCQBHZGDR-UHFFFAOYSA-N -1 1 361.814 2.272 20 0 FEADMM CC(C)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735747419 598873593 /nfs/dbraw/zinc/87/35/93/598873593.db2.gz DRMHVKIYJKBUHL-NSHDSACASA-N -1 1 355.851 2.329 20 0 FEADMM CC(C)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735747419 598873596 /nfs/dbraw/zinc/87/35/96/598873596.db2.gz DRMHVKIYJKBUHL-NSHDSACASA-N -1 1 355.851 2.329 20 0 FEADMM COCCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736986866 598890776 /nfs/dbraw/zinc/89/07/76/598890776.db2.gz QOMDVRDLFFBQGG-UHFFFAOYSA-N -1 1 372.454 2.431 20 0 FEADMM c1ncn(-c2cccc(CNc3c4ccccc4nnc3-c3nnn[n-]3)c2)n1 ZINC000738412179 598970938 /nfs/dbraw/zinc/97/09/38/598970938.db2.gz BNHITDQIVDVXGY-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1ncn(-c2cccc(CNc3c4ccccc4nnc3-c3nn[n-]n3)c2)n1 ZINC000738412179 598970940 /nfs/dbraw/zinc/97/09/40/598970940.db2.gz BNHITDQIVDVXGY-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM O=C(Nc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738165989 598993375 /nfs/dbraw/zinc/99/33/75/598993375.db2.gz OBVPTXVBTVGGLA-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Nc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738165989 598993376 /nfs/dbraw/zinc/99/33/76/598993376.db2.gz OBVPTXVBTVGGLA-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM CC(C)N(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000735859337 598993390 /nfs/dbraw/zinc/99/33/90/598993390.db2.gz RUSXSANJPWCYSK-UHFFFAOYSA-N -1 1 355.377 2.498 20 0 FEADMM CC(C)N(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000735859337 598993391 /nfs/dbraw/zinc/99/33/91/598993391.db2.gz RUSXSANJPWCYSK-UHFFFAOYSA-N -1 1 355.377 2.498 20 0 FEADMM CCCCOc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736463896 598994291 /nfs/dbraw/zinc/99/42/91/598994291.db2.gz SJRZYYDQHBISLZ-UHFFFAOYSA-N -1 1 366.425 2.413 20 0 FEADMM CCCCOc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736463896 598994292 /nfs/dbraw/zinc/99/42/92/598994292.db2.gz SJRZYYDQHBISLZ-UHFFFAOYSA-N -1 1 366.425 2.413 20 0 FEADMM O=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172445 598994683 /nfs/dbraw/zinc/99/46/83/598994683.db2.gz LYXFIERGSSVZKM-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM O=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172445 598994684 /nfs/dbraw/zinc/99/46/84/598994684.db2.gz LYXFIERGSSVZKM-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738181993 598994755 /nfs/dbraw/zinc/99/47/55/598994755.db2.gz CVEPRCVFKYLPGA-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738181993 598994756 /nfs/dbraw/zinc/99/47/56/598994756.db2.gz CVEPRCVFKYLPGA-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736600884 598996009 /nfs/dbraw/zinc/99/60/09/598996009.db2.gz XEQPQHUYVGTEEW-UHFFFAOYSA-N -1 1 367.369 2.107 20 0 FEADMM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736600884 598996011 /nfs/dbraw/zinc/99/60/11/598996011.db2.gz XEQPQHUYVGTEEW-UHFFFAOYSA-N -1 1 367.369 2.107 20 0 FEADMM O=C(Oc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738247215 599002709 /nfs/dbraw/zinc/00/27/09/599002709.db2.gz OMMRZGCRRPWGLC-UHFFFAOYSA-N -1 1 365.271 2.422 20 0 FEADMM O=C(Oc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738247215 599002711 /nfs/dbraw/zinc/00/27/11/599002711.db2.gz OMMRZGCRRPWGLC-UHFFFAOYSA-N -1 1 365.271 2.422 20 0 FEADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)CC3 ZINC000737373233 599022812 /nfs/dbraw/zinc/02/28/12/599022812.db2.gz QPHGDADFHYRXMF-UHFFFAOYSA-N -1 1 359.393 2.250 20 0 FEADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)CC3 ZINC000737373233 599022813 /nfs/dbraw/zinc/02/28/13/599022813.db2.gz QPHGDADFHYRXMF-UHFFFAOYSA-N -1 1 359.393 2.250 20 0 FEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1 ZINC000735706436 599105011 /nfs/dbraw/zinc/10/50/11/599105011.db2.gz AKMGDZZZQIYMJV-INIZCTEOSA-N -1 1 351.414 2.128 20 0 FEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1 ZINC000735706436 599105013 /nfs/dbraw/zinc/10/50/13/599105013.db2.gz AKMGDZZZQIYMJV-INIZCTEOSA-N -1 1 351.414 2.128 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000737185706 599184015 /nfs/dbraw/zinc/18/40/15/599184015.db2.gz BPQQVKXDPSCGGE-NSHDSACASA-N -1 1 372.410 2.260 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C1CC1)C1CC1 ZINC000822005926 599197834 /nfs/dbraw/zinc/19/78/34/599197834.db2.gz VOVWUJOFDMWSTF-UHFFFAOYSA-N -1 1 370.457 2.069 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)CCC(=O)[O-])CC1 ZINC000818207881 596984005 /nfs/dbraw/zinc/98/40/05/596984005.db2.gz RVAJPUFQBDEDQC-UHFFFAOYSA-N -1 1 368.865 2.420 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000818521995 597087417 /nfs/dbraw/zinc/08/74/17/597087417.db2.gz GLCHSQWOADAQLH-KBPBESRZSA-N -1 1 362.426 2.295 20 0 FEADMM CC[C@H](C)[C@H](OC)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807706115 674424643 /nfs/dbraw/zinc/42/46/43/674424643.db2.gz HUJZWFCHFXCKEO-VLJOUNFMSA-N -1 1 352.397 2.352 20 0 FEADMM CCc1sc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C(N)=O)c1C ZINC000821563906 607320945 /nfs/dbraw/zinc/32/09/45/607320945.db2.gz LKIUDBUAHGCNSW-UHFFFAOYSA-N -1 1 362.440 2.212 20 0 FEADMM CCc1sc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C(N)=O)c1C ZINC000821563906 607320946 /nfs/dbraw/zinc/32/09/46/607320946.db2.gz LKIUDBUAHGCNSW-UHFFFAOYSA-N -1 1 362.440 2.212 20 0 FEADMM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735589572 598263217 /nfs/dbraw/zinc/26/32/17/598263217.db2.gz MLAPJGSTKVAUBJ-OAHLLOKOSA-N -1 1 372.454 2.327 20 0 FEADMM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735589572 598263219 /nfs/dbraw/zinc/26/32/19/598263219.db2.gz MLAPJGSTKVAUBJ-OAHLLOKOSA-N -1 1 372.454 2.327 20 0 FEADMM CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735831441 598269865 /nfs/dbraw/zinc/26/98/65/598269865.db2.gz RRPCDQMPMCQRAI-UHFFFAOYSA-N -1 1 372.454 2.109 20 0 FEADMM CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735831441 598269866 /nfs/dbraw/zinc/26/98/66/598269866.db2.gz RRPCDQMPMCQRAI-UHFFFAOYSA-N -1 1 372.454 2.109 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000737189511 598307116 /nfs/dbraw/zinc/30/71/16/598307116.db2.gz NJPSQYIFKAESGD-NSHDSACASA-N -1 1 374.470 2.112 20 0 FEADMM CN(Cc1csc(Br)c1)c1nccnc1-c1nnn[n-]1 ZINC000736831696 598348589 /nfs/dbraw/zinc/34/85/89/598348589.db2.gz QUUHSFYGDSCJKL-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CN(Cc1csc(Br)c1)c1nccnc1-c1nn[n-]n1 ZINC000736831696 598348590 /nfs/dbraw/zinc/34/85/90/598348590.db2.gz QUUHSFYGDSCJKL-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM Clc1ccccc1C1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC000737583385 598365125 /nfs/dbraw/zinc/36/51/25/598365125.db2.gz KBYSMBDGBPIFSV-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM Clc1ccccc1C1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC000737583385 598365126 /nfs/dbraw/zinc/36/51/26/598365126.db2.gz KBYSMBDGBPIFSV-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM CCc1nn(Cc2c(F)cccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707013 598378535 /nfs/dbraw/zinc/37/85/35/598378535.db2.gz OJJNQXCSRGLWIK-UHFFFAOYSA-N -1 1 362.796 2.389 20 0 FEADMM C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736301706 598405761 /nfs/dbraw/zinc/40/57/61/598405761.db2.gz DEXQPNXADWQOAB-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM Cn1c(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)nc2ccccc21 ZINC000737594323 598503991 /nfs/dbraw/zinc/50/39/91/598503991.db2.gz YAGBLZWGUCOGHJ-UHFFFAOYSA-N -1 1 357.377 2.117 20 0 FEADMM FC(F)(F)CO[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000737628836 598576991 /nfs/dbraw/zinc/57/69/91/598576991.db2.gz XSZGAFSSVKCZGZ-MRVPVSSYSA-N -1 1 362.743 2.463 20 0 FEADMM FC(F)(F)CO[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000737628836 598576993 /nfs/dbraw/zinc/57/69/93/598576993.db2.gz XSZGAFSSVKCZGZ-MRVPVSSYSA-N -1 1 362.743 2.463 20 0 FEADMM CCc1nn(CCOc2ccccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707044 598643632 /nfs/dbraw/zinc/64/36/32/598643632.db2.gz OYSKMHKDVMDQAR-UHFFFAOYSA-N -1 1 374.832 2.281 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCCC1 ZINC000738353855 598692333 /nfs/dbraw/zinc/69/23/33/598692333.db2.gz HRCXBIXWWOPULI-HNNXBMFYSA-N -1 1 365.434 2.349 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000738353859 598692530 /nfs/dbraw/zinc/69/25/30/598692530.db2.gz HRCXBIXWWOPULI-OAHLLOKOSA-N -1 1 365.434 2.349 20 0 FEADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)CO2 ZINC000808096990 674441147 /nfs/dbraw/zinc/44/11/47/674441147.db2.gz OMCDPUCPYHTVGU-UHFFFAOYSA-N -1 1 367.814 2.199 20 0 FEADMM CC(C)CC(=O)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735759937 598745605 /nfs/dbraw/zinc/74/56/05/598745605.db2.gz XMIGYGQBVVMQAD-UHFFFAOYSA-N -1 1 363.853 2.364 20 0 FEADMM CC(C)CC(=O)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735759937 598745606 /nfs/dbraw/zinc/74/56/06/598745606.db2.gz XMIGYGQBVVMQAD-UHFFFAOYSA-N -1 1 363.853 2.364 20 0 FEADMM COc1cncc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000808503145 674460662 /nfs/dbraw/zinc/46/06/62/674460662.db2.gz ZPIVNGKQKHYTAG-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(OCC2CC2)CC1 ZINC000823791352 599358681 /nfs/dbraw/zinc/35/86/81/599358681.db2.gz CEUZGKGOEZGRRJ-UHFFFAOYSA-N -1 1 351.414 2.205 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(OCC2CC2)CC1 ZINC000823791352 599358683 /nfs/dbraw/zinc/35/86/83/599358683.db2.gz CEUZGKGOEZGRRJ-UHFFFAOYSA-N -1 1 351.414 2.205 20 0 FEADMM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823376130 599366006 /nfs/dbraw/zinc/36/60/06/599366006.db2.gz XOQUENQFBDUHMN-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823376130 599366007 /nfs/dbraw/zinc/36/60/07/599366007.db2.gz XOQUENQFBDUHMN-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM CSC[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000737177910 599391726 /nfs/dbraw/zinc/39/17/26/599391726.db2.gz VLMRDNAUHDOXNZ-QMMMGPOBSA-N -1 1 364.500 2.342 20 0 FEADMM CSCC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nnc2ccccn21 ZINC000821961173 599396712 /nfs/dbraw/zinc/39/67/12/599396712.db2.gz HGQYBXUGEVYZKG-LBPRGKRZSA-N -1 1 370.442 2.086 20 0 FEADMM CSCC[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nnc2ccccn21 ZINC000821961173 599396715 /nfs/dbraw/zinc/39/67/15/599396715.db2.gz HGQYBXUGEVYZKG-LBPRGKRZSA-N -1 1 370.442 2.086 20 0 FEADMM COc1ccccc1-c1noc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000821882498 599464043 /nfs/dbraw/zinc/46/40/43/599464043.db2.gz CJZSTVHLKIPWEA-JTQLQIEISA-N -1 1 367.369 2.369 20 0 FEADMM COc1ccccc1-c1noc([C@H](C)NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000821882498 599464045 /nfs/dbraw/zinc/46/40/45/599464045.db2.gz CJZSTVHLKIPWEA-JTQLQIEISA-N -1 1 367.369 2.369 20 0 FEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736235912 599468608 /nfs/dbraw/zinc/46/86/08/599468608.db2.gz PVPFTCHPLQLTDJ-RISCZKNCSA-N -1 1 352.373 2.419 20 0 FEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736235912 599468610 /nfs/dbraw/zinc/46/86/10/599468610.db2.gz PVPFTCHPLQLTDJ-RISCZKNCSA-N -1 1 352.373 2.419 20 0 FEADMM COC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000821657147 607385211 /nfs/dbraw/zinc/38/52/11/607385211.db2.gz ITHMXJWECMEWEZ-CQSZACIVSA-N -1 1 355.423 2.028 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819834048 599647944 /nfs/dbraw/zinc/64/79/44/599647944.db2.gz LDCUAIMXAGAWMW-UHFFFAOYSA-N -1 1 352.350 2.174 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1C(N)=O ZINC000557834458 674469616 /nfs/dbraw/zinc/46/96/16/674469616.db2.gz YGKQXPADAZFVQK-UHFFFAOYSA-N -1 1 366.464 2.458 20 0 FEADMM CCOC(=O)c1ccc(N2CCCN(Cc3ccc(C(=O)[O-])o3)CC2)nc1 ZINC000737154758 599714517 /nfs/dbraw/zinc/71/45/17/599714517.db2.gz AUKRAGWCXUVLMB-UHFFFAOYSA-N -1 1 373.409 2.262 20 0 FEADMM O=C([O-])CCNC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000739734615 599771163 /nfs/dbraw/zinc/77/11/63/599771163.db2.gz MKHCOTXZKYQDIA-UHFFFAOYSA-N -1 1 355.232 2.009 20 0 FEADMM Cc1oc(COC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000738980389 599818416 /nfs/dbraw/zinc/81/84/16/599818416.db2.gz FYROBTJEWYPOQF-UHFFFAOYSA-N -1 1 371.349 2.026 20 0 FEADMM CC[C@]1(c2ccccc2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736932188 599841066 /nfs/dbraw/zinc/84/10/66/599841066.db2.gz MPZJONYRYSAJQL-DNVCBOLYSA-N -1 1 359.426 2.130 20 0 FEADMM O=C([O-])c1coc(CN2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000740268354 599849416 /nfs/dbraw/zinc/84/94/16/599849416.db2.gz RSEODRGBFDJSNT-UHFFFAOYSA-N -1 1 350.337 2.064 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)N(C)C ZINC000809011345 674478619 /nfs/dbraw/zinc/47/86/19/674478619.db2.gz WMSPISFXQYUOLK-NSHDSACASA-N -1 1 354.806 2.009 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000739255851 600064039 /nfs/dbraw/zinc/06/40/39/600064039.db2.gz FDCSJPOYILQAQT-UHFFFAOYSA-N -1 1 367.449 2.493 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnccc1-n1cccn1 ZINC000738546209 600126541 /nfs/dbraw/zinc/12/65/41/600126541.db2.gz MZUGYWZUXSBBPA-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM C[C@](CO)(NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1 ZINC000736606488 600142528 /nfs/dbraw/zinc/14/25/28/600142528.db2.gz FTHCFLMTWHLAFL-LJQANCHMSA-N -1 1 374.462 2.371 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NC2CCC(C(=O)[O-])CC2)ccc1F ZINC000737367654 600187191 /nfs/dbraw/zinc/18/71/91/600187191.db2.gz AWLVESWESUTGOM-UHFFFAOYSA-N -1 1 351.422 2.330 20 0 FEADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c1C(=O)[O-] ZINC000738338045 600235240 /nfs/dbraw/zinc/23/52/40/600235240.db2.gz OMMDGWMWLVRNGB-UHFFFAOYSA-N -1 1 367.280 2.375 20 0 FEADMM Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738290734 600254915 /nfs/dbraw/zinc/25/49/15/600254915.db2.gz VWHAVFGAHDIBTJ-JOCHJYFZSA-N -1 1 373.477 2.434 20 0 FEADMM COCCN(C(C)=O)c1nc(CNC2(C(=O)[O-])CCCCC2)cs1 ZINC000737765841 600286173 /nfs/dbraw/zinc/28/61/73/600286173.db2.gz VQVFFZAMZDEACE-UHFFFAOYSA-N -1 1 355.460 2.020 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737359143 600344724 /nfs/dbraw/zinc/34/47/24/600344724.db2.gz SQUPYVNYSCLYHH-KGLIPLIRSA-N -1 1 351.472 2.247 20 0 FEADMM CN1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000737524846 600377180 /nfs/dbraw/zinc/37/71/80/600377180.db2.gz YFOFESHVKNJJDZ-CHWSQXEVSA-N -1 1 360.332 2.311 20 0 FEADMM COC(=O)[C@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000737582094 600398267 /nfs/dbraw/zinc/39/82/67/600398267.db2.gz YCHIANCDUQUQKF-OALUTQOASA-N -1 1 368.433 2.344 20 0 FEADMM COCCN(CC[S@@](=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000737800301 600410403 /nfs/dbraw/zinc/41/04/03/600410403.db2.gz QYFUJYOBKNEHBM-OAQYLSRUSA-N -1 1 354.255 2.134 20 0 FEADMM CNS(=O)(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737556708 600422678 /nfs/dbraw/zinc/42/26/78/600422678.db2.gz BHPFHTRGXLXXQH-HNNXBMFYSA-N -1 1 368.842 2.164 20 0 FEADMM C[C@@H]1CSCCN1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000736826577 600440873 /nfs/dbraw/zinc/44/08/73/600440873.db2.gz VOCRQNOXSVTPOQ-MLGOLLRUSA-N -1 1 361.467 2.159 20 0 FEADMM C[C@@H]1CSCCN1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000736826582 600440921 /nfs/dbraw/zinc/44/09/21/600440921.db2.gz VOCRQNOXSVTPOQ-WBMJQRKESA-N -1 1 361.467 2.159 20 0 FEADMM CCCOC(=O)c1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1 ZINC000737029449 600512565 /nfs/dbraw/zinc/51/25/65/600512565.db2.gz HZEFGNSCEDRTQA-UHFFFAOYSA-N -1 1 364.379 2.147 20 0 FEADMM CC[C@@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C(=O)[O-] ZINC000736863788 600563907 /nfs/dbraw/zinc/56/39/07/600563907.db2.gz PGNPRNCJBRUACC-QGZVFWFLSA-N -1 1 368.455 2.195 20 0 FEADMM CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000728507543 600679940 /nfs/dbraw/zinc/67/99/40/600679940.db2.gz FHSPXJCCXBKYAX-UHFFFAOYSA-N -1 1 369.424 2.287 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)cs1 ZINC000831348396 600684071 /nfs/dbraw/zinc/68/40/71/600684071.db2.gz IUNKOLSUWBVPKF-UHFFFAOYSA-N -1 1 370.408 2.103 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1C(=O)[O-] ZINC000832903707 600709953 /nfs/dbraw/zinc/70/99/53/600709953.db2.gz SDHUTBAIOMMSBN-ZIAGYGMSSA-N -1 1 354.472 2.234 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)N1CCC(C)CC1 ZINC000828284080 600726518 /nfs/dbraw/zinc/72/65/18/600726518.db2.gz BYPNNDHAGIYMAX-GFCCVEGCSA-N -1 1 374.890 2.437 20 0 FEADMM CS(=O)(=O)Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832675813 600740920 /nfs/dbraw/zinc/74/09/20/600740920.db2.gz CSDFKORDDXPXKB-MRXNPFEDSA-N -1 1 351.399 2.286 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000832903415 600743036 /nfs/dbraw/zinc/74/30/36/600743036.db2.gz HZRBCQUQTQBFKZ-KBPBESRZSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000833297350 600743087 /nfs/dbraw/zinc/74/30/87/600743087.db2.gz GIFKUFBYNNSZFW-AWEZNQCLSA-N -1 1 372.874 2.287 20 0 FEADMM C[C@](O)(CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[O-] ZINC000736672817 600762402 /nfs/dbraw/zinc/76/24/02/600762402.db2.gz SQUFLIUCENCAMV-FQEVSTJZSA-N -1 1 372.421 2.010 20 0 FEADMM CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000736484563 600843287 /nfs/dbraw/zinc/84/32/87/600843287.db2.gz GOZAMRNHCMGPIL-ZFWWWQNUSA-N -1 1 362.426 2.375 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC000737654529 600892988 /nfs/dbraw/zinc/89/29/88/600892988.db2.gz TXCUETFJNYDUGD-UHFFFAOYSA-N -1 1 372.786 2.262 20 0 FEADMM O=C([O-])CNC(=O)CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000739814262 600987359 /nfs/dbraw/zinc/98/73/59/600987359.db2.gz SRXHJGPVSKTQLD-UHFFFAOYSA-N -1 1 361.210 2.071 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)C12CCCC2 ZINC000829918555 601016284 /nfs/dbraw/zinc/01/62/84/601016284.db2.gz RYVRDMDIADQONT-LJIGWXMPSA-N -1 1 354.491 2.272 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000827369138 601103107 /nfs/dbraw/zinc/10/31/07/601103107.db2.gz PCLWEBNFDMXDDP-GFCCVEGCSA-N -1 1 363.845 2.371 20 0 FEADMM COC[C@@](C)(CC(=O)[O-])NCc1cc2c(cc1Br)OCCO2 ZINC000831579278 601134670 /nfs/dbraw/zinc/13/46/70/601134670.db2.gz YYEHXGYJMROICU-OAHLLOKOSA-N -1 1 374.231 2.190 20 0 FEADMM O=C([O-])c1cccc(Cc2cnc(NC(=O)CCc3nc[nH]n3)s2)c1 ZINC000833104155 601137187 /nfs/dbraw/zinc/13/71/87/601137187.db2.gz AYFHBPMCXQHICN-UHFFFAOYSA-N -1 1 357.395 2.122 20 0 FEADMM O=C([O-])CCNC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000833236958 601157112 /nfs/dbraw/zinc/15/71/12/601157112.db2.gz RDCSWPWFVJZQAN-KGLIPLIRSA-N -1 1 354.472 2.007 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000833102561 601193090 /nfs/dbraw/zinc/19/30/90/601193090.db2.gz RRQNNXZRIQCYPT-UHFFFAOYSA-N -1 1 367.449 2.493 20 0 FEADMM CC(C)(CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)N1CCCCC1 ZINC000826611953 601216422 /nfs/dbraw/zinc/21/64/22/601216422.db2.gz VJHNMJPWZVLGLG-FLIBITNWSA-N -1 1 366.483 2.327 20 0 FEADMM Cc1oc(S(=O)(=O)[N-]c2cccc3c2CC[N@@H+](C)C3)cc1C(=O)[O-] ZINC000833030489 601233365 /nfs/dbraw/zinc/23/33/65/601233365.db2.gz ZEZSEDJKIWNCNY-UHFFFAOYSA-N -1 1 350.396 2.075 20 0 FEADMM Cc1oc(S(=O)(=O)[N-]c2cccc3c2CC[N@H+](C)C3)cc1C(=O)[O-] ZINC000833030489 601233366 /nfs/dbraw/zinc/23/33/66/601233366.db2.gz ZEZSEDJKIWNCNY-UHFFFAOYSA-N -1 1 350.396 2.075 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)ncn2C ZINC000832204062 601339821 /nfs/dbraw/zinc/33/98/21/601339821.db2.gz ARRQDUBISCMNGH-UHFFFAOYSA-N -1 1 361.379 2.081 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cc1Cl ZINC000825907822 601402207 /nfs/dbraw/zinc/40/22/07/601402207.db2.gz GEIABOZPGXPGFT-UHFFFAOYSA-N -1 1 369.786 2.192 20 0 FEADMM C[C@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)N1CCc2ccccc2C1 ZINC000827476686 601410483 /nfs/dbraw/zinc/41/04/83/601410483.db2.gz DOEKNKIOSYFHOE-OAHLLOKOSA-N -1 1 359.470 2.377 20 0 FEADMM O=C([O-])C[C@@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CCO1 ZINC000833219634 601459497 /nfs/dbraw/zinc/45/94/97/601459497.db2.gz AZKIDKUIVLUOEH-CYBMUJFWSA-N -1 1 360.332 2.210 20 0 FEADMM CN(C)CCN(CC1CCCCC1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830604670 601516630 /nfs/dbraw/zinc/51/66/30/601516630.db2.gz SSMRBJWXGJPIBE-UHFFFAOYSA-N -1 1 360.520 2.015 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000833012062 601523549 /nfs/dbraw/zinc/52/35/49/601523549.db2.gz XRQPMLWOGAOKKY-LRDDRELGSA-N -1 1 356.426 2.080 20 0 FEADMM C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425077 601529941 /nfs/dbraw/zinc/52/99/41/601529941.db2.gz WWDUJWFUDSVRRQ-KKZNHRDASA-N -1 1 351.403 2.415 20 0 FEADMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000833199661 601531289 /nfs/dbraw/zinc/53/12/89/601531289.db2.gz AJSWBULKPHBYQH-NSHDSACASA-N -1 1 352.188 2.309 20 0 FEADMM CCOC(=O)c1cccc(N(CC)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825565267 607516483 /nfs/dbraw/zinc/51/64/83/607516483.db2.gz POSKHCVQUJUNRM-UHFFFAOYSA-N -1 1 352.398 2.465 20 0 FEADMM CCOC(=O)c1cccc(N(CC)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825565267 607516485 /nfs/dbraw/zinc/51/64/85/607516485.db2.gz POSKHCVQUJUNRM-UHFFFAOYSA-N -1 1 352.398 2.465 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000063876992 601829669 /nfs/dbraw/zinc/82/96/69/601829669.db2.gz QJPYDFFFJXLUMZ-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM CN(CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)C(C1CC1)C1CC1 ZINC000830800610 601877275 /nfs/dbraw/zinc/87/72/75/601877275.db2.gz NANUAVGWFQXCLA-UHFFFAOYSA-N -1 1 357.410 2.231 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827694277 601878285 /nfs/dbraw/zinc/87/82/85/601878285.db2.gz CYFRJVIMKXEAIJ-VIFPVBQESA-N -1 1 370.340 2.157 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739059043 601939308 /nfs/dbraw/zinc/93/93/08/601939308.db2.gz QULJYDXAKOFFRJ-NEPJUHHUSA-N -1 1 355.385 2.074 20 0 FEADMM C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738598466 601941123 /nfs/dbraw/zinc/94/11/23/601941123.db2.gz AJMIKGYMXKLKEL-NEPJUHHUSA-N -1 1 371.840 2.416 20 0 FEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000740641018 601945782 /nfs/dbraw/zinc/94/57/82/601945782.db2.gz HPRKEZUDARXRJU-INIZCTEOSA-N -1 1 359.470 2.204 20 0 FEADMM C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000828160044 601956458 /nfs/dbraw/zinc/95/64/58/601956458.db2.gz FABBKUWFLUQAKG-GRYCIOLGSA-N -1 1 360.501 2.091 20 0 FEADMM CCOc1ccc(C[C@@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)C(=O)[O-])cc1 ZINC000830070516 602023155 /nfs/dbraw/zinc/02/31/55/602023155.db2.gz DNJOIRXQPGOIML-GOEBONIOSA-N -1 1 371.437 2.288 20 0 FEADMM O=C([O-])NC[C@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000740640413 602058573 /nfs/dbraw/zinc/05/85/73/602058573.db2.gz KWBKORDGPPOWIR-HUUCEWRRSA-N -1 1 364.446 2.106 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1cccc(F)c1 ZINC000739608165 602061322 /nfs/dbraw/zinc/06/13/22/602061322.db2.gz MISQODJLRBSWLC-BBRMVZONSA-N -1 1 366.437 2.118 20 0 FEADMM C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738981384 602086053 /nfs/dbraw/zinc/08/60/53/602086053.db2.gz QTLZXZQBUIMDMZ-GUTXKFCHSA-N -1 1 368.503 2.429 20 0 FEADMM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739239092 602137951 /nfs/dbraw/zinc/13/79/51/602137951.db2.gz RWBIRVOLBFHMFS-RHSMWYFYSA-N -1 1 362.474 2.055 20 0 FEADMM CC(C)(C)NC(=O)c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000824093283 607548560 /nfs/dbraw/zinc/54/85/60/607548560.db2.gz FNOIHKXXRRHMFM-UHFFFAOYSA-N -1 1 351.414 2.402 20 0 FEADMM CC(C)(C)NC(=O)c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000824093283 607548561 /nfs/dbraw/zinc/54/85/61/607548561.db2.gz FNOIHKXXRRHMFM-UHFFFAOYSA-N -1 1 351.414 2.402 20 0 FEADMM C[C@@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C[C@H]1n1ccnc1 ZINC000828284056 602255513 /nfs/dbraw/zinc/25/55/13/602255513.db2.gz BCXAECLTAMCFSZ-BPLDGKMQSA-N -1 1 374.466 2.331 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1F ZINC000831435363 602322398 /nfs/dbraw/zinc/32/23/98/602322398.db2.gz VWBKOEDYDHGMTK-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM CN(CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)C(=O)[O-] ZINC000739626972 602327150 /nfs/dbraw/zinc/32/71/50/602327150.db2.gz MMZOGFBSULBMAZ-UHFFFAOYSA-N -1 1 362.430 2.049 20 0 FEADMM O=C([O-])N[C@H](C(=O)NCCN1CCc2ccccc2C1)c1ccccc1 ZINC000740689640 602378671 /nfs/dbraw/zinc/37/86/71/602378671.db2.gz PDPPPYLCXKJMJW-SFHVURJKSA-N -1 1 353.422 2.170 20 0 FEADMM CN(CC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1)C(=O)[O-] ZINC000739662007 602385076 /nfs/dbraw/zinc/38/50/76/602385076.db2.gz YGUSYXSLVHCLKS-IAGOWNOFSA-N -1 1 351.491 2.489 20 0 FEADMM CC(C)(CNC(=O)[O-])NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000738751984 602496277 /nfs/dbraw/zinc/49/62/77/602496277.db2.gz GYKLCSREYXJLIZ-UHFFFAOYSA-N -1 1 355.192 2.101 20 0 FEADMM COc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826221108 607571871 /nfs/dbraw/zinc/57/18/71/607571871.db2.gz PJQDCZZFTJIEOY-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM CCCC[C@H](C(=O)Nc1cc(C)on1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739334381 602531720 /nfs/dbraw/zinc/53/17/20/602531720.db2.gz YBGWYWWVZNOSRY-UONOGXRCSA-N -1 1 352.435 2.412 20 0 FEADMM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000740026721 602563223 /nfs/dbraw/zinc/56/32/23/602563223.db2.gz ZZVOMFKLTOVIGL-CQSZACIVSA-N -1 1 373.457 2.279 20 0 FEADMM CCC[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825233443 607573463 /nfs/dbraw/zinc/57/34/63/607573463.db2.gz PPBVAKNGAFDCDJ-QMMMGPOBSA-N -1 1 363.365 2.352 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H]3CCN(C(=O)[O-])C3)[nH]c2c1 ZINC000740158133 602636137 /nfs/dbraw/zinc/63/61/37/602636137.db2.gz HODLLQKLOKZIBJ-IUODEOHRSA-N -1 1 357.414 2.470 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000558592517 674505624 /nfs/dbraw/zinc/50/56/24/674505624.db2.gz HOIPXGBKEKZNLW-UHFFFAOYSA-N -1 1 361.379 2.330 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824995347 607578346 /nfs/dbraw/zinc/57/83/46/607578346.db2.gz ZFMGTYJAVPVLET-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM C[C@H](c1nc(C2CC2)no1)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000739066124 602677799 /nfs/dbraw/zinc/67/77/99/602677799.db2.gz WVFWIAWYKOACAG-CYBMUJFWSA-N -1 1 363.462 2.016 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000739609550 602690703 /nfs/dbraw/zinc/69/07/03/602690703.db2.gz VYKUZWIEPXSQQH-CHWSQXEVSA-N -1 1 354.476 2.040 20 0 FEADMM C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739175725 602764483 /nfs/dbraw/zinc/76/44/83/602764483.db2.gz KTAQOBAQWPUIAG-LALPHHSUSA-N -1 1 353.850 2.323 20 0 FEADMM C[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@@H](C)N1C(=O)[O-] ZINC000739178999 602835303 /nfs/dbraw/zinc/83/53/03/602835303.db2.gz ATLWBBKEJWCDTC-CHWSQXEVSA-N -1 1 351.472 2.096 20 0 FEADMM CCC(CC)N(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825108577 607591910 /nfs/dbraw/zinc/59/19/10/607591910.db2.gz WYTLRKGJEBXUTD-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM CCC(CC)N(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825108577 607591911 /nfs/dbraw/zinc/59/19/11/607591911.db2.gz WYTLRKGJEBXUTD-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM Cc1ccc(C(=O)N2CCN(CC3CCOCC3)CC2)cc1NC(=O)[O-] ZINC000830197979 602966784 /nfs/dbraw/zinc/96/67/84/602966784.db2.gz FBFOVAFRDXONGO-UHFFFAOYSA-N -1 1 361.442 2.269 20 0 FEADMM CCCN(C)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825308178 607603360 /nfs/dbraw/zinc/60/33/60/607603360.db2.gz XEMXIAAPXCKBCU-UHFFFAOYSA-N -1 1 352.398 2.465 20 0 FEADMM CCCN(C)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825308178 607603362 /nfs/dbraw/zinc/60/33/62/607603362.db2.gz XEMXIAAPXCKBCU-UHFFFAOYSA-N -1 1 352.398 2.465 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=Cc3ccco3)cc2)n1 ZINC000740681450 603060063 /nfs/dbraw/zinc/06/00/63/603060063.db2.gz KYKSBYKBLPFOPC-FPLPWBNLSA-N -1 1 353.338 2.484 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C=Cc3ccco3)cc2)n[nH]1 ZINC000740681450 603060069 /nfs/dbraw/zinc/06/00/69/603060069.db2.gz KYKSBYKBLPFOPC-FPLPWBNLSA-N -1 1 353.338 2.484 20 0 FEADMM O=C([O-])NCC1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000740644140 603083369 /nfs/dbraw/zinc/08/33/69/603083369.db2.gz XLZKIZQOQXYGJC-HNNXBMFYSA-N -1 1 351.834 2.425 20 0 FEADMM O=S(=O)(NC1CC(c2ccccc2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488775 607607487 /nfs/dbraw/zinc/60/74/87/607607487.db2.gz YVUJKPPMKJMPOV-UHFFFAOYSA-N -1 1 373.413 2.230 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000739010150 603126710 /nfs/dbraw/zinc/12/67/10/603126710.db2.gz OYTOACYTCHQDLL-GFCCVEGCSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000739010150 603126713 /nfs/dbraw/zinc/12/67/13/603126713.db2.gz OYTOACYTCHQDLL-GFCCVEGCSA-N -1 1 372.429 2.049 20 0 FEADMM COc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1-c1nn[nH]n1 ZINC000826201555 607609140 /nfs/dbraw/zinc/60/91/40/607609140.db2.gz WPNZTKYHEWIZMA-UHFFFAOYSA-N -1 1 359.773 2.164 20 0 FEADMM O=C([O-])N1CC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000740397109 603267646 /nfs/dbraw/zinc/26/76/46/603267646.db2.gz CIYVJDIOBLNVTG-AWEZNQCLSA-N -1 1 365.861 2.421 20 0 FEADMM O=S(=O)(NCc1coc2ccccc12)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492111 607618045 /nfs/dbraw/zinc/61/80/45/607618045.db2.gz TXKNEBRVBMTPCF-UHFFFAOYSA-N -1 1 373.369 2.231 20 0 FEADMM O=S(=O)(NCc1coc2ccccc12)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492111 607618047 /nfs/dbraw/zinc/61/80/47/607618047.db2.gz TXKNEBRVBMTPCF-UHFFFAOYSA-N -1 1 373.369 2.231 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CCN1CCOC ZINC000739282297 603330805 /nfs/dbraw/zinc/33/08/05/603330805.db2.gz ZQBHCZZRLNJPTK-MRXNPFEDSA-N -1 1 364.446 2.029 20 0 FEADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1sccc1C(N)=O ZINC000809987363 674523869 /nfs/dbraw/zinc/52/38/69/674523869.db2.gz YLIWLVUHIZZBTE-YFKPBYRVSA-N -1 1 374.394 2.400 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830083801 603438260 /nfs/dbraw/zinc/43/82/60/603438260.db2.gz BQVJQFFGEGEHDG-CABCVRRESA-N -1 1 360.458 2.122 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNCc1nccn1CC(F)(F)F ZINC000826127220 603564512 /nfs/dbraw/zinc/56/45/12/603564512.db2.gz RWNZKNXGKRAYBK-ZJUUUORDSA-N -1 1 350.341 2.038 20 0 FEADMM Cc1[nH]nc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1Br ZINC000830672872 603572555 /nfs/dbraw/zinc/57/25/55/603572555.db2.gz PICGAMZTJVQKGM-SECBINFHSA-N -1 1 361.240 2.235 20 0 FEADMM CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825192364 607642081 /nfs/dbraw/zinc/64/20/81/607642081.db2.gz GPWZYNURGRKKAB-JQWIXIFHSA-N -1 1 353.423 2.253 20 0 FEADMM CN(C)Cc1cc(CNC(=O)C2(CNC(=O)[O-])CCCC2)ccc1F ZINC000828042749 603676517 /nfs/dbraw/zinc/67/65/17/603676517.db2.gz ORXVSABBRZGNKR-UHFFFAOYSA-N -1 1 351.422 2.332 20 0 FEADMM Cc1nnc(SCCC(=O)N2CCN(C(=O)[O-])Cc3ccccc32)[nH]1 ZINC000830893070 603745281 /nfs/dbraw/zinc/74/52/81/603745281.db2.gz JMKQSFSMOCTUNL-UHFFFAOYSA-N -1 1 361.427 2.122 20 0 FEADMM CCC(CC)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)SC ZINC000825089701 607654402 /nfs/dbraw/zinc/65/44/02/607654402.db2.gz KZJNHZPZCYDUOA-UHFFFAOYSA-N -1 1 373.479 2.206 20 0 FEADMM CC(C)[C@@H](CCN(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1)NC(=O)[O-] ZINC000824098421 603851541 /nfs/dbraw/zinc/85/15/41/603851541.db2.gz HMIZCEVGUHCLKC-QWHCGFSZSA-N -1 1 367.412 2.401 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000824993294 607655807 /nfs/dbraw/zinc/65/58/07/607655807.db2.gz PZXVLSKIRZCBND-ZBEGNZNMSA-N -1 1 373.413 2.388 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000824993294 607655808 /nfs/dbraw/zinc/65/58/08/607655808.db2.gz PZXVLSKIRZCBND-ZBEGNZNMSA-N -1 1 373.413 2.388 20 0 FEADMM C[C@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000824921189 604025179 /nfs/dbraw/zinc/02/51/79/604025179.db2.gz CESVBHMRDGHTNV-OAHLLOKOSA-N -1 1 374.485 2.217 20 0 FEADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000824203462 604046024 /nfs/dbraw/zinc/04/60/24/604046024.db2.gz JNIPCRQVMQWEES-SNVBAGLBSA-N -1 1 364.427 2.036 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1ccco1 ZINC000827034702 604072885 /nfs/dbraw/zinc/07/28/85/604072885.db2.gz DNYDMHJQPBEDLB-LSDHHAIUSA-N -1 1 366.462 2.446 20 0 FEADMM CCCC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC000825248786 607670647 /nfs/dbraw/zinc/67/06/47/607670647.db2.gz YMHJAQDCRIGSIR-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM CCCC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC000825248786 607670649 /nfs/dbraw/zinc/67/06/49/607670649.db2.gz YMHJAQDCRIGSIR-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM C[C@H](C(=O)N(C)c1ccccc1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823654575 604103182 /nfs/dbraw/zinc/10/31/82/604103182.db2.gz KRUCZJRMDGBADM-OAHLLOKOSA-N -1 1 363.458 2.177 20 0 FEADMM CC(C)C(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000824198666 607676248 /nfs/dbraw/zinc/67/62/48/607676248.db2.gz CIJLDRSAALRWQE-UHFFFAOYSA-N -1 1 357.867 2.479 20 0 FEADMM CC(C)C(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000824198666 607676249 /nfs/dbraw/zinc/67/62/49/607676249.db2.gz CIJLDRSAALRWQE-UHFFFAOYSA-N -1 1 357.867 2.479 20 0 FEADMM COc1cccc(CNC(=O)[C@H](C)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000829558834 604178604 /nfs/dbraw/zinc/17/86/04/604178604.db2.gz DWCBQHMBAKUXFD-OFQRWUPVSA-N -1 1 363.458 2.068 20 0 FEADMM Cc1ccc2nc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])[nH]c2c1 ZINC000830432749 604209312 /nfs/dbraw/zinc/20/93/12/604209312.db2.gz KIIOUXDAKNDDTF-YHWZYXNKSA-N -1 1 357.414 2.344 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000825266645 604210494 /nfs/dbraw/zinc/21/04/94/604210494.db2.gz WETDUANEMFLEKB-GXTWGEPZSA-N -1 1 353.850 2.324 20 0 FEADMM O=C([O-])N1CC(NCc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000831851931 604420213 /nfs/dbraw/zinc/42/02/13/604420213.db2.gz FZNGJADFKJLYLU-UHFFFAOYSA-N -1 1 363.421 2.445 20 0 FEADMM Cc1ccc([C@H](CNC(=O)c2cccc(-c3nnc[nH]3)c2)C(=O)[O-])cc1 ZINC000833749571 604472984 /nfs/dbraw/zinc/47/29/84/604472984.db2.gz VGBTYVPUGAYCCV-INIZCTEOSA-N -1 1 350.378 2.378 20 0 FEADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCCN(C(=O)C(C)C)CC2)c1 ZINC000832048976 604478040 /nfs/dbraw/zinc/47/80/40/604478040.db2.gz BRIJRBDIUUQUHM-QGZVFWFLSA-N -1 1 364.442 2.020 20 0 FEADMM CC(C)Cc1nnc(NC(=O)CNC2(C(=O)[O-])CCCCCC2)s1 ZINC000833492300 604480678 /nfs/dbraw/zinc/48/06/78/604480678.db2.gz FIKNAFZGNSYFNB-UHFFFAOYSA-N -1 1 354.476 2.442 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CNC2(C(=O)[O-])CCCCC2)n[nH]1 ZINC000821052328 604672126 /nfs/dbraw/zinc/67/21/26/604672126.db2.gz ONMFXLJYAITILK-UHFFFAOYSA-N -1 1 371.441 2.404 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000827374239 604702282 /nfs/dbraw/zinc/70/22/82/604702282.db2.gz FEKPVURYXPOVNB-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Br)c1O ZINC000833506187 604732482 /nfs/dbraw/zinc/73/24/82/604732482.db2.gz UWRBWFNGVWJKEE-NSHDSACASA-N -1 1 360.204 2.105 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(OC)c1 ZINC000833733451 604745665 /nfs/dbraw/zinc/74/56/65/604745665.db2.gz PTBCVMOIOBRGFN-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM CCc1nccn1[C@@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000830327937 604755856 /nfs/dbraw/zinc/75/58/56/604755856.db2.gz KSTBFEIDTJQCIP-OAHLLOKOSA-N -1 1 370.453 2.444 20 0 FEADMM Cc1ccc(OC(F)F)c([C@H](C)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000830400139 604770984 /nfs/dbraw/zinc/77/09/84/604770984.db2.gz GQGUEISEBAXVNY-LBPRGKRZSA-N -1 1 371.384 2.069 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)C[C@H]3CN(C(=O)[O-])CCO3)[nH]c2c1 ZINC000830433533 604789379 /nfs/dbraw/zinc/78/93/79/604789379.db2.gz VZDHSONFDJNYGN-XJKSGUPXSA-N -1 1 372.425 2.304 20 0 FEADMM CC(=O)NCc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC000833397825 604865866 /nfs/dbraw/zinc/86/58/66/604865866.db2.gz LTQGJSPJKDJULX-UHFFFAOYSA-N -1 1 352.350 2.150 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n[nH]1 ZINC000833511922 605003488 /nfs/dbraw/zinc/00/34/88/605003488.db2.gz FISLXXNNOQNQHE-QMMMGPOBSA-N -1 1 372.834 2.319 20 0 FEADMM CC(C)(C)OC(=O)NC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC000833439914 605058196 /nfs/dbraw/zinc/05/81/96/605058196.db2.gz BYKISEQLTBTQRO-UHFFFAOYSA-N -1 1 360.370 2.257 20 0 FEADMM CCc1n[nH]c(=O)c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1CC ZINC000833675990 605061387 /nfs/dbraw/zinc/06/13/87/605061387.db2.gz DZDVDSCKTRINBF-UHFFFAOYSA-N -1 1 355.354 2.134 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833623954 605100037 /nfs/dbraw/zinc/10/00/37/605100037.db2.gz SZCOTTRBWPQDQD-FQELHTAISA-N -1 1 356.466 2.288 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000833681361 605118405 /nfs/dbraw/zinc/11/84/05/605118405.db2.gz ZBLSMOYNFZRFTP-NSHDSACASA-N -1 1 366.439 2.299 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CCC1=O ZINC000833591890 605153363 /nfs/dbraw/zinc/15/33/63/605153363.db2.gz ZKGFKTACMHHJJM-CEQIKUNHSA-N -1 1 372.465 2.227 20 0 FEADMM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])[C@@H](C)C1 ZINC000833627751 605175534 /nfs/dbraw/zinc/17/55/34/605175534.db2.gz UCGPJIBEJAKGKA-GWCFXTLKSA-N -1 1 360.863 2.045 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000833628662 605191783 /nfs/dbraw/zinc/19/17/83/605191783.db2.gz MZZKPOAUGQNQKA-LLVKDONJSA-N -1 1 374.268 2.413 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000833628639 605194415 /nfs/dbraw/zinc/19/44/15/605194415.db2.gz MPQMCMJOMIQMAK-OAHLLOKOSA-N -1 1 361.486 2.403 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)N1CCCC[C@H]1C ZINC000833615836 605200225 /nfs/dbraw/zinc/20/02/25/605200225.db2.gz SMXUYFTXEHXJEK-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM CN(CC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])[C@H]1CCSC1 ZINC000833692030 605215790 /nfs/dbraw/zinc/21/57/90/605215790.db2.gz SGSHHARVCONACH-OWCLPIDISA-N -1 1 354.516 2.306 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833439330 605295795 /nfs/dbraw/zinc/29/57/95/605295795.db2.gz QWVBBPVVQWLAPY-CQSZACIVSA-N -1 1 350.415 2.249 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(-c2nc(C[C@H](C)N(C)C(=O)[O-])no2)[nH]n1 ZINC000830845863 605303300 /nfs/dbraw/zinc/30/33/00/605303300.db2.gz JPGRMYHHVNJXRN-QMMMGPOBSA-N -1 1 359.390 2.018 20 0 FEADMM O=C([O-])N[C@H]1CCc2ncc(NC(=O)c3cc(F)cc4[nH]cnc43)cc2C1 ZINC000834196037 605330875 /nfs/dbraw/zinc/33/08/75/605330875.db2.gz LRIBLOGZEGCARS-NSHDSACASA-N -1 1 369.356 2.474 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000833864486 605375335 /nfs/dbraw/zinc/37/53/35/605375335.db2.gz NYXMYBZFRVTGTB-KBPBESRZSA-N -1 1 357.414 2.224 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000833864486 605375338 /nfs/dbraw/zinc/37/53/38/605375338.db2.gz NYXMYBZFRVTGTB-KBPBESRZSA-N -1 1 357.414 2.224 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@@H]21 ZINC000834184695 605441576 /nfs/dbraw/zinc/44/15/76/605441576.db2.gz RIKXCKZIRKBUEL-KNXALSJPSA-N -1 1 358.394 2.367 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@@H]21 ZINC000834184695 605441579 /nfs/dbraw/zinc/44/15/79/605441579.db2.gz RIKXCKZIRKBUEL-KNXALSJPSA-N -1 1 358.394 2.367 20 0 FEADMM O=C([O-])NC[C@@H](NCc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000834205099 605666596 /nfs/dbraw/zinc/66/65/96/605666596.db2.gz CPAOHOFQNXLYKF-CYBMUJFWSA-N -1 1 350.444 2.062 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 ZINC000834219666 605868663 /nfs/dbraw/zinc/86/86/63/605868663.db2.gz KWUMXKKSXNUDEY-FZMZJTMJSA-N -1 1 357.248 2.462 20 0 FEADMM O=C([O-])NCCCCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000834235552 605891312 /nfs/dbraw/zinc/89/13/12/605891312.db2.gz JBWWJQRLFPMWBJ-UHFFFAOYSA-N -1 1 351.422 2.344 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@@H](CNC(=O)[O-])C[C@H]2C)cc1 ZINC000833907774 605901187 /nfs/dbraw/zinc/90/11/87/605901187.db2.gz SUNAEPNHHKOKRJ-HUUCEWRRSA-N -1 1 365.499 2.181 20 0 FEADMM O=C([O-])N[C@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000740595829 605914789 /nfs/dbraw/zinc/91/47/89/605914789.db2.gz WAGNACCIMDKTQI-ZWKOTPCHSA-N -1 1 356.422 2.435 20 0 FEADMM Cc1nc(NC(=O)[O-])sc1C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000833913855 605972748 /nfs/dbraw/zinc/97/27/48/605972748.db2.gz HHTFAGVKKIYAIE-LLVKDONJSA-N -1 1 357.432 2.055 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820979373 606132243 /nfs/dbraw/zinc/13/22/43/606132243.db2.gz HEWDCHSSBKSDLX-MNOVXSKESA-N -1 1 363.443 2.265 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820979373 606132245 /nfs/dbraw/zinc/13/22/45/606132245.db2.gz HEWDCHSSBKSDLX-MNOVXSKESA-N -1 1 363.443 2.265 20 0 FEADMM O=C(OCc1nnc(-c2cccc(F)c2)o1)c1ccc(-c2nnn[n-]2)s1 ZINC000823445143 606136939 /nfs/dbraw/zinc/13/69/39/606136939.db2.gz UJVWBIWHTFFMMH-UHFFFAOYSA-N -1 1 372.341 2.474 20 0 FEADMM O=C(OCc1nnc(-c2cccc(F)c2)o1)c1ccc(-c2nn[n-]n2)s1 ZINC000823445143 606136941 /nfs/dbraw/zinc/13/69/41/606136941.db2.gz UJVWBIWHTFFMMH-UHFFFAOYSA-N -1 1 372.341 2.474 20 0 FEADMM CCc1oc(C(=O)OC)cc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821564114 606137872 /nfs/dbraw/zinc/13/78/72/606137872.db2.gz UMGZNDCZIWAUHA-UHFFFAOYSA-N -1 1 362.367 2.227 20 0 FEADMM CCc1oc(C(=O)OC)cc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821564114 606137873 /nfs/dbraw/zinc/13/78/73/606137873.db2.gz UMGZNDCZIWAUHA-UHFFFAOYSA-N -1 1 362.367 2.227 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820295079 606155018 /nfs/dbraw/zinc/15/50/18/606155018.db2.gz XRBQENCMLDTZAY-JTQLQIEISA-N -1 1 374.836 2.349 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820295079 606155019 /nfs/dbraw/zinc/15/50/19/606155019.db2.gz XRBQENCMLDTZAY-JTQLQIEISA-N -1 1 374.836 2.349 20 0 FEADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000820026929 606162052 /nfs/dbraw/zinc/16/20/52/606162052.db2.gz NEZYZVYSSXMNPQ-ZDUSSCGKSA-N -1 1 358.381 2.258 20 0 FEADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000820026929 606162055 /nfs/dbraw/zinc/16/20/55/606162055.db2.gz NEZYZVYSSXMNPQ-ZDUSSCGKSA-N -1 1 358.381 2.258 20 0 FEADMM CCc1cnc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000821497739 606164337 /nfs/dbraw/zinc/16/43/37/606164337.db2.gz YUKCOPFOUUGIIL-UHFFFAOYSA-N -1 1 352.427 2.465 20 0 FEADMM CCc1cnc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000821497739 606164339 /nfs/dbraw/zinc/16/43/39/606164339.db2.gz YUKCOPFOUUGIIL-UHFFFAOYSA-N -1 1 352.427 2.465 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2cccc(CC(F)(F)F)c2)n1 ZINC000822620265 606165065 /nfs/dbraw/zinc/16/50/65/606165065.db2.gz OZXXUUJGNPXHMV-UHFFFAOYSA-N -1 1 366.307 2.349 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2cccc(CC(F)(F)F)c2)n1 ZINC000822620265 606165066 /nfs/dbraw/zinc/16/50/66/606165066.db2.gz OZXXUUJGNPXHMV-UHFFFAOYSA-N -1 1 366.307 2.349 20 0 FEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820555864 606165184 /nfs/dbraw/zinc/16/51/84/606165184.db2.gz QHRMEPHHGHFQAS-QMMMGPOBSA-N -1 1 362.344 2.103 20 0 FEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820555864 606165185 /nfs/dbraw/zinc/16/51/85/606165185.db2.gz QHRMEPHHGHFQAS-QMMMGPOBSA-N -1 1 362.344 2.103 20 0 FEADMM Cc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822233500 606165799 /nfs/dbraw/zinc/16/57/99/606165799.db2.gz QESLQHWTKCBICH-AWEZNQCLSA-N -1 1 352.402 2.278 20 0 FEADMM Cc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822233500 606165801 /nfs/dbraw/zinc/16/58/01/606165801.db2.gz QESLQHWTKCBICH-AWEZNQCLSA-N -1 1 352.402 2.278 20 0 FEADMM CN(Cc1cc2ccccc2o1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821608789 606170097 /nfs/dbraw/zinc/17/00/97/606170097.db2.gz VBWPZYUYJLCQEF-UHFFFAOYSA-N -1 1 352.358 2.010 20 0 FEADMM CN(Cc1cc2ccccc2o1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821608789 606170098 /nfs/dbraw/zinc/17/00/98/606170098.db2.gz VBWPZYUYJLCQEF-UHFFFAOYSA-N -1 1 352.358 2.010 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)n1 ZINC000822604818 606173036 /nfs/dbraw/zinc/17/30/36/606173036.db2.gz LUPUNHQKDVPEPE-UHFFFAOYSA-N -1 1 370.392 2.183 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)n1 ZINC000822604818 606173037 /nfs/dbraw/zinc/17/30/37/606173037.db2.gz LUPUNHQKDVPEPE-UHFFFAOYSA-N -1 1 370.392 2.183 20 0 FEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820944888 606173045 /nfs/dbraw/zinc/17/30/45/606173045.db2.gz PSPHPRZYNKUSBY-ZDUSSCGKSA-N -1 1 355.406 2.000 20 0 FEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820944888 606173046 /nfs/dbraw/zinc/17/30/46/606173046.db2.gz PSPHPRZYNKUSBY-ZDUSSCGKSA-N -1 1 355.406 2.000 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCCS2)c1-c1nn[n-]n1 ZINC000822486377 606191582 /nfs/dbraw/zinc/19/15/82/606191582.db2.gz HZPHQDKUOOHGQR-AWEZNQCLSA-N -1 1 370.438 2.300 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(-c2cccs2)[nH]n1 ZINC000823294778 606195922 /nfs/dbraw/zinc/19/59/22/606195922.db2.gz QWLYKMMSCXEQDS-UHFFFAOYSA-N -1 1 353.367 2.276 20 0 FEADMM Cn1cc(-c2cccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2)cn1 ZINC000822605119 606292786 /nfs/dbraw/zinc/29/27/86/606292786.db2.gz ZRTOPTJJXXYSAU-UHFFFAOYSA-N -1 1 361.365 2.225 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000823290636 606295783 /nfs/dbraw/zinc/29/57/83/606295783.db2.gz ZQBJGIPAKGNESP-ORAYPTAESA-N -1 1 363.377 2.251 20 0 FEADMM CCCn1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000810189966 674536147 /nfs/dbraw/zinc/53/61/47/674536147.db2.gz XGXOJTBRAHMHAP-NSHDSACASA-N -1 1 361.368 2.216 20 0 FEADMM CCNC(=O)COc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821285986 606410725 /nfs/dbraw/zinc/41/07/25/606410725.db2.gz NIPLALWXJBXUSO-UHFFFAOYSA-N -1 1 358.427 2.055 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1C(C)(C)C1(C)C ZINC000822006273 606447216 /nfs/dbraw/zinc/44/72/16/606447216.db2.gz ZTHNEGZDYFPNBB-UHFFFAOYSA-N -1 1 358.446 2.068 20 0 FEADMM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1C ZINC000820909057 606448484 /nfs/dbraw/zinc/44/84/84/606448484.db2.gz STUFHGVDEPLCGN-AWEZNQCLSA-N -1 1 352.398 2.158 20 0 FEADMM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1C ZINC000820909057 606448486 /nfs/dbraw/zinc/44/84/86/606448486.db2.gz STUFHGVDEPLCGN-AWEZNQCLSA-N -1 1 352.398 2.158 20 0 FEADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821619307 606466102 /nfs/dbraw/zinc/46/61/02/606466102.db2.gz QTRLMRBHDWIKJW-CYBMUJFWSA-N -1 1 369.816 2.157 20 0 FEADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821619307 606466104 /nfs/dbraw/zinc/46/61/04/606466104.db2.gz QTRLMRBHDWIKJW-CYBMUJFWSA-N -1 1 369.816 2.157 20 0 FEADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821619308 606466576 /nfs/dbraw/zinc/46/65/76/606466576.db2.gz QTRLMRBHDWIKJW-ZDUSSCGKSA-N -1 1 369.816 2.157 20 0 FEADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821619308 606466578 /nfs/dbraw/zinc/46/65/78/606466578.db2.gz QTRLMRBHDWIKJW-ZDUSSCGKSA-N -1 1 369.816 2.157 20 0 FEADMM O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363490 606507389 /nfs/dbraw/zinc/50/73/89/606507389.db2.gz FZJMBAXNXOXMIS-UHFFFAOYSA-N -1 1 368.422 2.303 20 0 FEADMM O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363490 606507391 /nfs/dbraw/zinc/50/73/91/606507391.db2.gz FZJMBAXNXOXMIS-UHFFFAOYSA-N -1 1 368.422 2.303 20 0 FEADMM CCOC(=O)COc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821334797 606508191 /nfs/dbraw/zinc/50/81/91/606508191.db2.gz PVUPYGIFWPFISJ-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM CCOC(=O)COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821334797 606508192 /nfs/dbraw/zinc/50/81/92/606508192.db2.gz PVUPYGIFWPFISJ-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000823290150 606533541 /nfs/dbraw/zinc/53/35/41/606533541.db2.gz UFGXUMOIJFRPFL-UHFFFAOYSA-N -1 1 361.365 2.421 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(OCc2ccccc2)cc1 ZINC000823290150 606533542 /nfs/dbraw/zinc/53/35/42/606533542.db2.gz UFGXUMOIJFRPFL-UHFFFAOYSA-N -1 1 361.365 2.421 20 0 FEADMM CCC1(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCC1 ZINC000820962645 606553093 /nfs/dbraw/zinc/55/30/93/606553093.db2.gz XDWHTTSSRDSEMB-UHFFFAOYSA-N -1 1 358.446 2.213 20 0 FEADMM CC[C@@](NC(=O)c1ccc(-c2nnn[n-]2)s1)(C(=O)OC)c1ccccc1 ZINC000820919713 606554688 /nfs/dbraw/zinc/55/46/88/606554688.db2.gz FYBRYVDALSWTQU-KRWDZBQOSA-N -1 1 371.422 2.137 20 0 FEADMM CC[C@@](NC(=O)c1ccc(-c2nn[n-]n2)s1)(C(=O)OC)c1ccccc1 ZINC000820919713 606554690 /nfs/dbraw/zinc/55/46/90/606554690.db2.gz FYBRYVDALSWTQU-KRWDZBQOSA-N -1 1 371.422 2.137 20 0 FEADMM COC(=O)C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000821660104 606571422 /nfs/dbraw/zinc/57/14/22/606571422.db2.gz GAVXKENWKGBOHB-JTQLQIEISA-N -1 1 369.406 2.235 20 0 FEADMM COC(=O)C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000821660104 606571424 /nfs/dbraw/zinc/57/14/24/606571424.db2.gz GAVXKENWKGBOHB-JTQLQIEISA-N -1 1 369.406 2.235 20 0 FEADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cccc1N1CCOC1=O ZINC000822109678 606579784 /nfs/dbraw/zinc/57/97/84/606579784.db2.gz UAGRXHMTRJGCGM-UHFFFAOYSA-N -1 1 370.394 2.446 20 0 FEADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cccc1N1CCOC1=O ZINC000822109678 606579785 /nfs/dbraw/zinc/57/97/85/606579785.db2.gz UAGRXHMTRJGCGM-UHFFFAOYSA-N -1 1 370.394 2.446 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823478075 606641530 /nfs/dbraw/zinc/64/15/30/606641530.db2.gz FNZAAXGOFWSXAA-TZMCWYRMSA-N -1 1 370.438 2.052 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823478075 606641531 /nfs/dbraw/zinc/64/15/31/606641531.db2.gz FNZAAXGOFWSXAA-TZMCWYRMSA-N -1 1 370.438 2.052 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000823436252 606647513 /nfs/dbraw/zinc/64/75/13/606647513.db2.gz NTYFYZKANXJTKW-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000823436252 606647514 /nfs/dbraw/zinc/64/75/14/606647514.db2.gz NTYFYZKANXJTKW-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM C[C@@H](O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000820481230 606688652 /nfs/dbraw/zinc/68/86/52/606688652.db2.gz UCSFGLJHHAHUOL-LLVKDONJSA-N -1 1 371.372 2.251 20 0 FEADMM C[C@@H](O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000820481230 606688653 /nfs/dbraw/zinc/68/86/53/606688653.db2.gz UCSFGLJHHAHUOL-LLVKDONJSA-N -1 1 371.372 2.251 20 0 FEADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2Cl)cn1 ZINC000820214519 606711889 /nfs/dbraw/zinc/71/18/89/606711889.db2.gz GOBLTTWGAGAVOT-UHFFFAOYSA-N -1 1 367.822 2.098 20 0 FEADMM C[C@@H](COc1ccccc1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820293483 606733637 /nfs/dbraw/zinc/73/36/37/606733637.db2.gz KPNGGFMYHQMUJK-LBPRGKRZSA-N -1 1 369.429 2.472 20 0 FEADMM C[C@@H](COc1ccccc1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820293483 606733638 /nfs/dbraw/zinc/73/36/38/606733638.db2.gz KPNGGFMYHQMUJK-LBPRGKRZSA-N -1 1 369.429 2.472 20 0 FEADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823583313 606779099 /nfs/dbraw/zinc/77/90/99/606779099.db2.gz MQRSVLGZTHSNMR-UHFFFAOYSA-N -1 1 359.415 2.048 20 0 FEADMM COC(=O)c1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)s1 ZINC000821666741 606826550 /nfs/dbraw/zinc/82/65/50/606826550.db2.gz BYDHMYBZXYBSGD-UHFFFAOYSA-N -1 1 364.408 2.442 20 0 FEADMM COC(=O)c1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)s1 ZINC000821666741 606826552 /nfs/dbraw/zinc/82/65/52/606826552.db2.gz BYDHMYBZXYBSGD-UHFFFAOYSA-N -1 1 364.408 2.442 20 0 FEADMM CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820192727 606869713 /nfs/dbraw/zinc/86/97/13/606869713.db2.gz WUDGRRBUWBTISE-UHFFFAOYSA-N -1 1 358.427 2.210 20 0 FEADMM CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820192727 606869715 /nfs/dbraw/zinc/86/97/15/606869715.db2.gz WUDGRRBUWBTISE-UHFFFAOYSA-N -1 1 358.427 2.210 20 0 FEADMM Nn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000822912373 607028562 /nfs/dbraw/zinc/02/85/62/607028562.db2.gz XQHQFBKOKMBDDS-UHFFFAOYSA-N -1 1 360.403 2.191 20 0 FEADMM Nn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000822912373 607028563 /nfs/dbraw/zinc/02/85/63/607028563.db2.gz XQHQFBKOKMBDDS-UHFFFAOYSA-N -1 1 360.403 2.191 20 0 FEADMM Cn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000822604680 607037316 /nfs/dbraw/zinc/03/73/16/607037316.db2.gz IWIJSSFWEOUALW-UHFFFAOYSA-N -1 1 354.374 2.348 20 0 FEADMM Cn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccccn1 ZINC000822604680 607037317 /nfs/dbraw/zinc/03/73/17/607037317.db2.gz IWIJSSFWEOUALW-UHFFFAOYSA-N -1 1 354.374 2.348 20 0 FEADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820233490 607097777 /nfs/dbraw/zinc/09/77/77/607097777.db2.gz KRHSESZXUXLMNN-JOYOIKCWSA-N -1 1 361.402 2.309 20 0 FEADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820233490 607097778 /nfs/dbraw/zinc/09/77/78/607097778.db2.gz KRHSESZXUXLMNN-JOYOIKCWSA-N -1 1 361.402 2.309 20 0 FEADMM CCOc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1OCC ZINC000821416931 607102788 /nfs/dbraw/zinc/10/27/88/607102788.db2.gz FRTBTYFLCJZHES-UHFFFAOYSA-N -1 1 360.399 2.373 20 0 FEADMM CCOc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1OCC ZINC000821416931 607102790 /nfs/dbraw/zinc/10/27/90/607102790.db2.gz FRTBTYFLCJZHES-UHFFFAOYSA-N -1 1 360.399 2.373 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1-c1ccccc1 ZINC000822182906 607107241 /nfs/dbraw/zinc/10/72/41/607107241.db2.gz CUFOYWFOMAPWMP-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1-c1ccccc1 ZINC000822182906 607107242 /nfs/dbraw/zinc/10/72/42/607107242.db2.gz CUFOYWFOMAPWMP-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM CCS[C@H](C)c1noc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000821447224 607111636 /nfs/dbraw/zinc/11/16/36/607111636.db2.gz HZZYGXWXALFPJN-SSDOTTSWSA-N -1 1 366.428 2.482 20 0 FEADMM C[C@]1(c2ccccc2)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000820634748 607136090 /nfs/dbraw/zinc/13/60/90/607136090.db2.gz IRNVQCSOWVHCEF-QGZVFWFLSA-N -1 1 355.423 2.316 20 0 FEADMM C[C@]1(c2ccccc2)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000820634748 607136092 /nfs/dbraw/zinc/13/60/92/607136092.db2.gz IRNVQCSOWVHCEF-QGZVFWFLSA-N -1 1 355.423 2.316 20 0 FEADMM O=C(COc1ccc2c(c1)CCCC2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823040510 607159042 /nfs/dbraw/zinc/15/90/42/607159042.db2.gz MHEKTGXTCZYKNI-UHFFFAOYSA-N -1 1 365.393 2.469 20 0 FEADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820882207 607186742 /nfs/dbraw/zinc/18/67/42/607186742.db2.gz MISYJJKANHLXLH-DGCLKSJQSA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820882207 607186743 /nfs/dbraw/zinc/18/67/43/607186743.db2.gz MISYJJKANHLXLH-DGCLKSJQSA-N -1 1 372.429 2.086 20 0 FEADMM CC(C)Cc1nnc([N-]C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)s1 ZINC000820108738 607231942 /nfs/dbraw/zinc/23/19/42/607231942.db2.gz QJHFXQNKOCPGIG-UHFFFAOYSA-N -1 1 364.822 2.217 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cc(F)c(F)cc1F ZINC000826493435 607867974 /nfs/dbraw/zinc/86/79/74/607867974.db2.gz KKAJDNJAZAGFCN-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cc(F)c(F)cc1F ZINC000826493435 607867975 /nfs/dbraw/zinc/86/79/75/607867975.db2.gz KKAJDNJAZAGFCN-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM OC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(C(F)(F)F)cc1 ZINC000826508262 607969122 /nfs/dbraw/zinc/96/91/22/607969122.db2.gz KGXJLAFEENVSNK-GFCCVEGCSA-N -1 1 350.304 2.426 20 0 FEADMM OC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)cc1 ZINC000826508262 607969123 /nfs/dbraw/zinc/96/91/23/607969123.db2.gz KGXJLAFEENVSNK-GFCCVEGCSA-N -1 1 350.304 2.426 20 0 FEADMM Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826234548 607999651 /nfs/dbraw/zinc/99/96/51/607999651.db2.gz BPPSQMQZGJWFAC-UHFFFAOYSA-N -1 1 363.333 2.239 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc([C@@H]2CCCO2)s1 ZINC000826451006 608030555 /nfs/dbraw/zinc/03/05/55/608030555.db2.gz LZOQNSZBKVSWKJ-NSHDSACASA-N -1 1 358.383 2.133 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc([C@H]2CCOC2)c1 ZINC000826467388 608060973 /nfs/dbraw/zinc/06/09/73/608060973.db2.gz UIFZHLCXLVLGLD-HNNXBMFYSA-N -1 1 351.366 2.123 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc([C@H]2CCOC2)c1 ZINC000826467388 608060974 /nfs/dbraw/zinc/06/09/74/608060974.db2.gz UIFZHLCXLVLGLD-HNNXBMFYSA-N -1 1 351.366 2.123 20 0 FEADMM Clc1nsc(Sc2nnc3n2CCCCC3)c1-c1nnn[n-]1 ZINC000826354383 608172639 /nfs/dbraw/zinc/17/26/39/608172639.db2.gz AMXHZEPROBGCHE-UHFFFAOYSA-N -1 1 354.852 2.446 20 0 FEADMM Clc1nsc(Sc2nnc3n2CCCCC3)c1-c1nn[n-]n1 ZINC000826354383 608172641 /nfs/dbraw/zinc/17/26/41/608172641.db2.gz AMXHZEPROBGCHE-UHFFFAOYSA-N -1 1 354.852 2.446 20 0 FEADMM C[S@](=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826224795 608200076 /nfs/dbraw/zinc/20/00/76/608200076.db2.gz LSYLXILEONFHAB-QHCPKHFHSA-N -1 1 351.388 2.057 20 0 FEADMM C[S@](=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826224795 608200077 /nfs/dbraw/zinc/20/00/77/608200077.db2.gz LSYLXILEONFHAB-QHCPKHFHSA-N -1 1 351.388 2.057 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000825000196 608236239 /nfs/dbraw/zinc/23/62/39/608236239.db2.gz NXIKKNQVWJJRTA-RYUDHWBXSA-N -1 1 359.434 2.096 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000825000196 608236241 /nfs/dbraw/zinc/23/62/41/608236241.db2.gz NXIKKNQVWJJRTA-RYUDHWBXSA-N -1 1 359.434 2.096 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000826232769 608313706 /nfs/dbraw/zinc/31/37/06/608313706.db2.gz HVTBYKXRAXUDMJ-GHMZBOCLSA-N -1 1 358.446 2.021 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000826232772 608313725 /nfs/dbraw/zinc/31/37/25/608313725.db2.gz HVTBYKXRAXUDMJ-WDEREUQCSA-N -1 1 358.446 2.021 20 0 FEADMM Fc1ccc(Br)cc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826373619 608397116 /nfs/dbraw/zinc/39/71/16/608397116.db2.gz SZZZDYICBKWXKA-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1ccc(Br)cc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826373619 608397117 /nfs/dbraw/zinc/39/71/17/608397117.db2.gz SZZZDYICBKWXKA-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM COc1ccc(Br)cc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826186631 608408547 /nfs/dbraw/zinc/40/85/47/608408547.db2.gz DAVPLGRCWRYKPC-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM COc1ccc(Br)cc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826186631 608408548 /nfs/dbraw/zinc/40/85/48/608408548.db2.gz DAVPLGRCWRYKPC-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM Cc1cccc(CN(Cc2cccc(C)n2)c2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826298235 608430053 /nfs/dbraw/zinc/43/00/53/608430053.db2.gz JTHZEQVNSKQOQM-UHFFFAOYSA-N -1 1 373.424 2.270 20 0 FEADMM Cc1cccc(CN(Cc2cccc(C)n2)c2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826298235 608430055 /nfs/dbraw/zinc/43/00/55/608430055.db2.gz JTHZEQVNSKQOQM-UHFFFAOYSA-N -1 1 373.424 2.270 20 0 FEADMM O=C(OCCOc1ccnc(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000826464443 608475444 /nfs/dbraw/zinc/47/54/44/608475444.db2.gz WSIBILNXSQRFMQ-UHFFFAOYSA-N -1 1 351.775 2.212 20 0 FEADMM Cc1cccc(NC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826299332 608659987 /nfs/dbraw/zinc/65/99/87/608659987.db2.gz ABORDCHOCVBJIO-UHFFFAOYSA-N -1 1 367.413 2.118 20 0 FEADMM Cc1cccc(NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826299332 608659988 /nfs/dbraw/zinc/65/99/88/608659988.db2.gz ABORDCHOCVBJIO-UHFFFAOYSA-N -1 1 367.413 2.118 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000826256499 608666952 /nfs/dbraw/zinc/66/69/52/608666952.db2.gz MHCQKFUTUIOTRC-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826472534 608824138 /nfs/dbraw/zinc/82/41/38/608824138.db2.gz NOUZTJLBMPUENB-RYUDHWBXSA-N -1 1 359.386 2.015 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826472534 608824140 /nfs/dbraw/zinc/82/41/40/608824140.db2.gz NOUZTJLBMPUENB-RYUDHWBXSA-N -1 1 359.386 2.015 20 0 FEADMM O[C@@]1(c2ccc(F)cc2)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826506363 609168929 /nfs/dbraw/zinc/16/89/29/609168929.db2.gz SSKLAIAKNWXADT-INIZCTEOSA-N -1 1 360.780 2.152 20 0 FEADMM O[C@@]1(c2ccc(F)cc2)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826506363 609168931 /nfs/dbraw/zinc/16/89/31/609168931.db2.gz SSKLAIAKNWXADT-INIZCTEOSA-N -1 1 360.780 2.152 20 0 FEADMM CC(C)Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc(=O)[nH]1 ZINC000824274358 609260655 /nfs/dbraw/zinc/26/06/55/609260655.db2.gz GQCUDKYZJGTTJB-UHFFFAOYSA-N -1 1 354.370 2.124 20 0 FEADMM Fc1cccc(-n2ccc(NCc3nc(C4CC4)no3)n2)c1-c1nn[n-]n1 ZINC000826376390 609280973 /nfs/dbraw/zinc/28/09/73/609280973.db2.gz BPDKQFQGNPMDJS-UHFFFAOYSA-N -1 1 367.348 2.064 20 0 FEADMM O=C(COC1CCCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826416913 609289735 /nfs/dbraw/zinc/28/97/35/609289735.db2.gz WIKWMHAIYWEHGT-UHFFFAOYSA-N -1 1 371.376 2.089 20 0 FEADMM C[C@H]1C[C@H](CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824883504 609319531 /nfs/dbraw/zinc/31/95/31/609319531.db2.gz HTBDATMHDRKDJF-NWDGAFQWSA-N -1 1 357.393 2.419 20 0 FEADMM O=C(NCC1CCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434073 609364434 /nfs/dbraw/zinc/36/44/34/609364434.db2.gz BHLDUKFWSRRBCV-UHFFFAOYSA-N -1 1 356.365 2.113 20 0 FEADMM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825252435 609386406 /nfs/dbraw/zinc/38/64/06/609386406.db2.gz HSEOOOIDDNCZRG-CYBMUJFWSA-N -1 1 373.461 2.488 20 0 FEADMM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825252435 609386408 /nfs/dbraw/zinc/38/64/08/609386408.db2.gz HSEOOOIDDNCZRG-CYBMUJFWSA-N -1 1 373.461 2.488 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826346778 609467555 /nfs/dbraw/zinc/46/75/55/609467555.db2.gz VNDINWIAYYIERG-HZMBPMFUSA-N -1 1 352.398 2.460 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826346778 609467556 /nfs/dbraw/zinc/46/75/56/609467556.db2.gz VNDINWIAYYIERG-HZMBPMFUSA-N -1 1 352.398 2.460 20 0 FEADMM CCC[C@@H]1C[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825254459 609591226 /nfs/dbraw/zinc/59/12/26/609591226.db2.gz RTJDOEKDBUBSDB-NWDGAFQWSA-N -1 1 361.450 2.352 20 0 FEADMM CCC[C@@H]1C[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825254459 609591228 /nfs/dbraw/zinc/59/12/28/609591228.db2.gz RTJDOEKDBUBSDB-NWDGAFQWSA-N -1 1 361.450 2.352 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824991483 609610196 /nfs/dbraw/zinc/61/01/96/609610196.db2.gz BLIDAXUDPWTMQF-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824991483 609610198 /nfs/dbraw/zinc/61/01/98/609610198.db2.gz BLIDAXUDPWTMQF-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM Cc1cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1OC(C)C ZINC000559840925 674558058 /nfs/dbraw/zinc/55/80/58/674558058.db2.gz YCAKJCBSEBZRNU-UHFFFAOYSA-N -1 1 360.439 2.238 20 0 FEADMM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000560010230 674563780 /nfs/dbraw/zinc/56/37/80/674563780.db2.gz QMBYRLYHMCIMJR-UHFFFAOYSA-N -1 1 356.325 2.191 20 0 FEADMM C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811857845 674633796 /nfs/dbraw/zinc/63/37/96/674633796.db2.gz OAWTYLDUKSDHAS-NWDGAFQWSA-N -1 1 361.364 2.311 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(F)(F)F ZINC000561123434 674639326 /nfs/dbraw/zinc/63/93/26/674639326.db2.gz OMQXISCBYFZNKT-UHFFFAOYSA-N -1 1 356.297 2.127 20 0 FEADMM O=C(CCOc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000561108897 674638262 /nfs/dbraw/zinc/63/82/62/674638262.db2.gz YGHHIRPIZMATPF-SNVBAGLBSA-N -1 1 353.785 2.167 20 0 FEADMM CC(C)c1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n(C)n1 ZINC000812274982 674661141 /nfs/dbraw/zinc/66/11/41/674661141.db2.gz BZIXTUKCWPYMJT-LLVKDONJSA-N -1 1 360.380 2.074 20 0 FEADMM COc1cncc(S(=O)(=O)[N-]c2cc(C)cnc2Br)c1 ZINC000812327455 674666333 /nfs/dbraw/zinc/66/63/33/674666333.db2.gz LMTMVJLOVDDYBB-UHFFFAOYSA-N -1 1 358.217 2.357 20 0 FEADMM 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/nfs/dbraw/zinc/21/03/93/673210393.db2.gz ZJGRQQLYFNTWON-UHFFFAOYSA-N -1 1 365.411 2.320 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)cc1C ZINC000595308687 673220569 /nfs/dbraw/zinc/22/05/69/673220569.db2.gz FIUKVLZCDDVGKB-YPMHNXCESA-N -1 1 359.444 2.248 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)cc1C ZINC000595317289 673222770 /nfs/dbraw/zinc/22/27/70/673222770.db2.gz PJLVRZWKXRNLFM-VIFPVBQESA-N -1 1 371.415 2.095 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1C ZINC000595320822 673223664 /nfs/dbraw/zinc/22/36/64/673223664.db2.gz HIDPSVDDMXOFLH-NEPJUHHUSA-N -1 1 359.444 2.247 20 0 FEADMM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)c1ccco1 ZINC000595322521 673223996 /nfs/dbraw/zinc/22/39/96/673223996.db2.gz SHXKNRGAAAAGHK-LLVKDONJSA-N -1 1 357.384 2.024 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)cc1C ZINC000595321763 673224009 /nfs/dbraw/zinc/22/40/09/673224009.db2.gz ZAELMHGHOAEVQL-LLVKDONJSA-N -1 1 371.798 2.440 20 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/nfs/dbraw/zinc/32/38/19/673323819.db2.gz VMNLHTLGYWZZFL-UHFFFAOYSA-N -1 1 358.419 2.496 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cc1C(=O)[O-] ZINC000504253807 673338341 /nfs/dbraw/zinc/33/83/41/673338341.db2.gz OAOJASMNXIDGRQ-UHFFFAOYSA-N -1 1 353.400 2.189 20 0 FEADMM O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091194 673353490 /nfs/dbraw/zinc/35/34/90/673353490.db2.gz URHMQBKPNBBEAK-SNVBAGLBSA-N -1 1 364.818 2.123 20 0 FEADMM CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2nn[n-]n2)cc1 ZINC000732157949 673355617 /nfs/dbraw/zinc/35/56/17/673355617.db2.gz MPRMPOGTOIIDGR-UHFFFAOYSA-N -1 1 356.411 2.006 20 0 FEADMM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000732288624 673361979 /nfs/dbraw/zinc/36/19/79/673361979.db2.gz SMQRPCYNUQJCMK-VIFPVBQESA-N -1 1 352.847 2.483 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)o1 ZINC000536160143 673362544 /nfs/dbraw/zinc/36/25/44/673362544.db2.gz FWORVABOKQBODD-HNNXBMFYSA-N -1 1 350.396 2.281 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1 ZINC000539193046 673478263 /nfs/dbraw/zinc/47/82/63/673478263.db2.gz GVIGSLKFKQVYCC-UHFFFAOYSA-N -1 1 362.451 2.397 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000539239433 673480279 /nfs/dbraw/zinc/48/02/79/673480279.db2.gz NQCZMOKSKNQSIA-UHFFFAOYSA-N -1 1 362.386 2.354 20 0 FEADMM CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000539398422 673488399 /nfs/dbraw/zinc/48/83/99/673488399.db2.gz FZPNONJQNHJMFD-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM CCSc1ccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000539706121 673502102 /nfs/dbraw/zinc/50/21/02/673502102.db2.gz UNIYCGWWXQUKFS-UHFFFAOYSA-N -1 1 366.464 2.333 20 0 FEADMM CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc3[nH][n-]c(=O)c3c2)s1 ZINC000597757023 673504315 /nfs/dbraw/zinc/50/43/15/673504315.db2.gz JHJPAMILLMVVOJ-UHFFFAOYSA-N -1 1 360.395 2.107 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cn1 ZINC000539856415 673510274 /nfs/dbraw/zinc/51/02/74/673510274.db2.gz 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ZINC000738279484 673615172 /nfs/dbraw/zinc/61/51/72/673615172.db2.gz UBICLGPKYPYARW-UHFFFAOYSA-N -1 1 356.411 2.468 20 0 FEADMM COc1cc(C(=O)NCc2noc(C(F)(F)F)n2)cc(Cl)c1[O-] ZINC000614165188 676162741 /nfs/dbraw/zinc/16/27/41/676162741.db2.gz VGJQNOVHJXLLJL-UHFFFAOYSA-N -1 1 351.668 2.386 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1)C1CC1 ZINC000599235340 673645676 /nfs/dbraw/zinc/64/56/76/673645676.db2.gz WWFOIEMLDNESMQ-CQSZACIVSA-N -1 1 361.504 2.375 20 0 FEADMM CC(C)N(Cc1nc(=O)n(C)[n-]1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000543439271 673647782 /nfs/dbraw/zinc/64/77/82/673647782.db2.gz ASWDSAUDJHWFCE-UHFFFAOYSA-N -1 1 362.821 2.222 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(C)c(C)c1)C1CC1 ZINC000599279946 673652820 /nfs/dbraw/zinc/65/28/20/673652820.db2.gz YUMQANCRXDCJLW-DLBZAZTESA-N -1 1 369.483 2.252 20 0 FEADMM CS[C@H]1CC[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000742747449 673736853 /nfs/dbraw/zinc/73/68/53/673736853.db2.gz NLNCODRPCVCAQU-KBPBESRZSA-N -1 1 358.467 2.495 20 0 FEADMM CC(C)(C)n1ccnc1SCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614474328 676177128 /nfs/dbraw/zinc/17/71/28/676177128.db2.gz RVOKPAAIDWIREU-UHFFFAOYSA-N -1 1 365.459 2.225 20 0 FEADMM CCc1nncn1CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000545091494 673744632 /nfs/dbraw/zinc/74/46/32/673744632.db2.gz RUTNATHTGBHJJP-UHFFFAOYSA-N -1 1 355.272 2.187 20 0 FEADMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000743261930 673753914 /nfs/dbraw/zinc/75/39/14/673753914.db2.gz YPELMZKXQRDXHS-UHFFFAOYSA-N -1 1 352.343 2.289 20 0 FEADMM O=S(=O)([N-][C@@H](CO)c1cccc(F)c1)c1ccc(Br)o1 ZINC000545365075 673763469 /nfs/dbraw/zinc/76/34/69/673763469.db2.gz FYBXOHVZOJCMKW-JTQLQIEISA-N -1 1 364.192 2.193 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)co1 ZINC000545738536 673775577 /nfs/dbraw/zinc/77/55/77/673775577.db2.gz JVNBPQDZGOIFMP-UHFFFAOYSA-N -1 1 366.374 2.110 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000744458285 673797580 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FEADMM COCCOc1ccccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000547559351 673863529 /nfs/dbraw/zinc/86/35/29/673863529.db2.gz XLHZVFLBHVJHAS-UHFFFAOYSA-N -1 1 351.380 2.211 20 0 FEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)F)o2)s1 ZINC000601447058 673864005 /nfs/dbraw/zinc/86/40/05/673864005.db2.gz GIMLFULCOJOGNN-ZCFIWIBFSA-N -1 1 366.367 2.500 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000548197542 673932763 /nfs/dbraw/zinc/93/27/63/673932763.db2.gz BRZKLXFDNLUVNH-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COc1cc(NS(=O)(=O)c2cccnc2)c(C(=O)[O-])cc1OC(F)F ZINC000548196811 673932794 /nfs/dbraw/zinc/93/27/94/673932794.db2.gz OVRVYVSOYFEMMV-UHFFFAOYSA-N -1 1 374.321 2.191 20 0 FEADMM COC1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCCCC1 ZINC000548462949 673960650 /nfs/dbraw/zinc/96/06/50/673960650.db2.gz MAEDFBCBBFBOJW-UHFFFAOYSA-N -1 1 368.455 2.121 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c1 ZINC000548686404 673987258 /nfs/dbraw/zinc/98/72/58/673987258.db2.gz POBKOYGNPZUMSR-UHFFFAOYSA-N -1 1 365.407 2.282 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000615220165 676207681 /nfs/dbraw/zinc/20/76/81/676207681.db2.gz DKEUKMZALWDFMX-UHFFFAOYSA-N -1 1 364.199 2.426 20 0 FEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(N(C)C)c1 ZINC000566731414 675238306 /nfs/dbraw/zinc/23/83/06/675238306.db2.gz YHLCIDSAVCBGSU-UHFFFAOYSA-N -1 1 350.396 2.260 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1cc2cc(F)ccc2o1 ZINC000566896483 675250992 /nfs/dbraw/zinc/25/09/92/675250992.db2.gz LHXQOAAVXVALCE-LLVKDONJSA-N -1 1 366.336 2.487 20 0 FEADMM O=C(CNC(=O)c1ccc2n[n-]c(=S)n2c1)C1CCC(F)(F)CC1 ZINC000819578506 675302602 /nfs/dbraw/zinc/30/26/02/675302602.db2.gz NXYKMBLKTCABGW-UHFFFAOYSA-N -1 1 354.382 2.142 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@H](N3CCOCC3)C2)cc(Cl)c1[O-] ZINC000615556240 676219758 /nfs/dbraw/zinc/21/97/58/676219758.db2.gz MHOFTRMPJVHIQN-AWEZNQCLSA-N -1 1 368.861 2.381 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)c(F)c1 ZINC000819881557 675318667 /nfs/dbraw/zinc/31/86/67/675318667.db2.gz KEQDWGLGYIURPP-HIFRSBDPSA-N -1 1 355.362 2.046 20 0 FEADMM O=C([N-]CC1CCN(C(=O)[C@H]2CCc3cccnc32)CC1)C(F)(F)F ZINC000819980692 675328833 /nfs/dbraw/zinc/32/88/33/675328833.db2.gz VHCFJOGWPBTMGJ-ZDUSSCGKSA-N -1 1 355.360 2.029 20 0 FEADMM Cc1sc(N(C)CCN2CCN(c3ccccc3)CC2)nc1C(=O)[O-] ZINC000567978911 675340477 /nfs/dbraw/zinc/34/04/77/675340477.db2.gz WVDCZMRUWRLKQQ-UHFFFAOYSA-N -1 1 360.483 2.408 20 0 FEADMM CO[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@H](C(=O)[O-])C1 ZINC000568285071 675363980 /nfs/dbraw/zinc/36/39/80/675363980.db2.gz XPKWTFLQCHHSHS-BMIGLBTASA-N -1 1 363.801 2.434 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2ncc(Cl)n2C)c1 ZINC000820486137 675365264 /nfs/dbraw/zinc/36/52/64/675365264.db2.gz GIXMWEUFCBPRFJ-DJNLSKAYSA-N -1 1 356.831 2.494 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2nc(C3CC3)no2)c1 ZINC000820627185 675375211 /nfs/dbraw/zinc/37/52/11/675375211.db2.gz MJBMJAKZGAXGPO-ZZDSUILFSA-N -1 1 350.396 2.368 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]([C@H]2CCOC2)C(F)(F)F)c1 ZINC000820705082 675380232 /nfs/dbraw/zinc/38/02/32/675380232.db2.gz LXIJZWOBTCVGIE-BGJCVAEFSA-N -1 1 366.357 2.313 20 0 FEADMM COc1ccc([C@@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C(C)C)cc1 ZINC000820781235 675387259 /nfs/dbraw/zinc/38/72/59/675387259.db2.gz MQWUSPARMMZCMB-HNNXBMFYSA-N -1 1 360.501 2.489 20 0 FEADMM C[C@@H]1Sc2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2NC1=O ZINC000820819801 675391274 /nfs/dbraw/zinc/39/12/74/675391274.db2.gz LCOBCESCQOZFNM-LURJTMIESA-N -1 1 373.423 2.008 20 0 FEADMM C[C@@H]1Sc2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2NC1=O ZINC000820819801 675391276 /nfs/dbraw/zinc/39/12/76/675391276.db2.gz LCOBCESCQOZFNM-LURJTMIESA-N -1 1 373.423 2.008 20 0 FEADMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000568819407 675402826 /nfs/dbraw/zinc/40/28/26/675402826.db2.gz HTMYMNGAZCQRSN-RHSMWYFYSA-N -1 1 353.440 2.277 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2ncccc2Br)s1 ZINC000656921213 677868469 /nfs/dbraw/zinc/86/84/69/677868469.db2.gz LHIFUOUWIPGQPN-UHFFFAOYSA-N -1 1 362.274 2.342 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCC1CCCCC1 ZINC000823027145 675524084 /nfs/dbraw/zinc/52/40/84/675524084.db2.gz NXTFGLVOOSUNHV-UHFFFAOYSA-N -1 1 363.443 2.172 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCC1CCCCC1 ZINC000823027145 675524086 /nfs/dbraw/zinc/52/40/86/675524086.db2.gz NXTFGLVOOSUNHV-UHFFFAOYSA-N -1 1 363.443 2.172 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1cc(F)ccc1F ZINC000823027322 675524103 /nfs/dbraw/zinc/52/41/03/675524103.db2.gz QZQAQFDPIWHKEP-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1cc(F)ccc1F ZINC000823027322 675524105 /nfs/dbraw/zinc/52/41/05/675524105.db2.gz QZQAQFDPIWHKEP-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM CCCc1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ncc2Cl)s1 ZINC000823115518 675530300 /nfs/dbraw/zinc/53/03/00/675530300.db2.gz JIHMJUVQUOXAOV-UHFFFAOYSA-N -1 1 360.848 2.195 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Br)cc1F ZINC000823380106 675548940 /nfs/dbraw/zinc/54/89/40/675548940.db2.gz QRKJFQWDELUEBH-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Br)cc1F ZINC000823380106 675548942 /nfs/dbraw/zinc/54/89/42/675548942.db2.gz QRKJFQWDELUEBH-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM Cn1cnnc1[C@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000824828975 675624285 /nfs/dbraw/zinc/62/42/85/675624285.db2.gz DZXIGUKQGXQPPB-VIFPVBQESA-N -1 1 365.167 2.064 20 0 FEADMM CCn1ncc(C)c1NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000825138459 675638443 /nfs/dbraw/zinc/63/84/43/675638443.db2.gz MLGYWFDMZVQXEF-KOLCDFICSA-N -1 1 361.368 2.132 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)Cc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826345466 675686235 /nfs/dbraw/zinc/68/62/35/675686235.db2.gz LRDIGAJTWBWACI-SECBINFHSA-N -1 1 360.805 2.106 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)Cc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826345466 675686237 /nfs/dbraw/zinc/68/62/37/675686237.db2.gz LRDIGAJTWBWACI-SECBINFHSA-N -1 1 360.805 2.106 20 0 FEADMM Cc1onc(CC(=O)Nc2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826348793 675686813 /nfs/dbraw/zinc/68/68/13/675686813.db2.gz FGADSUMUKTXQKQ-UHFFFAOYSA-N -1 1 352.276 2.363 20 0 FEADMM Cc1onc(CC(=O)Nc2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826348793 675686816 /nfs/dbraw/zinc/68/68/16/675686816.db2.gz FGADSUMUKTXQKQ-UHFFFAOYSA-N -1 1 352.276 2.363 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCc3c2cccc3Cl)c1-c1nnn[n-]1 ZINC000826346913 675686860 /nfs/dbraw/zinc/68/68/60/675686860.db2.gz YSTQKTUQUAUFIZ-LBPRGKRZSA-N -1 1 358.789 2.163 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCc3c2cccc3Cl)c1-c1nn[n-]n1 ZINC000826346913 675686862 /nfs/dbraw/zinc/68/68/62/675686862.db2.gz YSTQKTUQUAUFIZ-LBPRGKRZSA-N -1 1 358.789 2.163 20 0 FEADMM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1=O ZINC000827809195 675780508 /nfs/dbraw/zinc/78/05/08/675780508.db2.gz YDWZPUVSTGUPRG-MRVPVSSYSA-N -1 1 366.270 2.066 20 0 FEADMM O=C(CCOc1ccc(F)cc1Cl)NC1(c2nn[n-]n2)CCCC1 ZINC000605381329 675812382 /nfs/dbraw/zinc/81/23/82/675812382.db2.gz GJGNJRFRUXUJSX-UHFFFAOYSA-N -1 1 353.785 2.347 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(C)n1-c1nccs1 ZINC000605530088 675817935 /nfs/dbraw/zinc/81/79/35/675817935.db2.gz HQIZKGGHKFWJIB-UHFFFAOYSA-N -1 1 357.443 2.263 20 0 FEADMM O=C([N-]CC1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1)C(F)(F)F ZINC000828701255 675837739 /nfs/dbraw/zinc/83/77/39/675837739.db2.gz DPLUPFAGFBEMAQ-NWDGAFQWSA-N -1 1 362.298 2.205 20 0 FEADMM C[C@H]1CN=C(N2CCN(C(=O)c3ncc4ccccc4c3[O-])CC2)S1 ZINC000828743761 675841299 /nfs/dbraw/zinc/84/12/99/675841299.db2.gz IWULANPEDORCFN-LBPRGKRZSA-N -1 1 356.451 2.190 20 0 FEADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1 ZINC000607941805 675877935 /nfs/dbraw/zinc/87/79/35/675877935.db2.gz KVPJJPDEGSZLJX-UHFFFAOYSA-N -1 1 353.400 2.012 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(F)(F)c2ccccc2C)co1 ZINC000620181571 676409305 /nfs/dbraw/zinc/40/93/05/676409305.db2.gz IUICFLNVGLZBIU-UHFFFAOYSA-N -1 1 358.366 2.018 20 0 FEADMM CO[C@@H](CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCCC1 ZINC000620174888 676409395 /nfs/dbraw/zinc/40/93/95/676409395.db2.gz ZFQJEKATEBBKHU-AWEZNQCLSA-N -1 1 353.488 2.467 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(F)ccc3[C@@H]2C)co1 ZINC000677308120 679675284 /nfs/dbraw/zinc/67/52/84/679675284.db2.gz XHNNXOKUPUVZKE-JTQLQIEISA-N -1 1 352.387 2.086 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC(C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000621833308 676476809 /nfs/dbraw/zinc/47/68/09/676476809.db2.gz HASJZPXPMXUJDP-CYBMUJFWSA-N -1 1 359.348 2.034 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc(-c2cccs2)n[nH]1 ZINC000622610035 676502815 /nfs/dbraw/zinc/50/28/15/676502815.db2.gz OAGZRXHLYCKOBH-CQSZACIVSA-N -1 1 351.395 2.171 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnc([C@H]2CCCO2)s1 ZINC000677657053 679691297 /nfs/dbraw/zinc/69/12/97/679691297.db2.gz JBDBFNPBBIRBII-DGCLKSJQSA-N -1 1 356.411 2.027 20 0 FEADMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000628812250 676819950 /nfs/dbraw/zinc/81/99/50/676819950.db2.gz ZTHQEORBRKLKEB-HZPDHXFCSA-N -1 1 362.451 2.136 20 0 FEADMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000629332737 676847719 /nfs/dbraw/zinc/84/77/19/676847719.db2.gz LQEGCIOAHSXDAL-UHFFFAOYSA-N -1 1 365.407 2.414 20 0 FEADMM COc1ccc([C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C(=O)[O-])cc1Cl ZINC000630187702 676886138 /nfs/dbraw/zinc/88/61/38/676886138.db2.gz AWSXBXRGRUCDIU-XPTSAGLGSA-N -1 1 351.790 2.192 20 0 FEADMM CSc1ccc(O[C@@H](C)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC000630224640 676888272 /nfs/dbraw/zinc/88/82/72/676888272.db2.gz BSGBOVMGXPOMIZ-ZDUSSCGKSA-N -1 1 366.483 2.183 20 0 FEADMM CCOc1cc(Cl)ccc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630228017 676888837 /nfs/dbraw/zinc/88/88/37/676888837.db2.gz RUCAXFGIISRDRR-UHFFFAOYSA-N -1 1 354.834 2.360 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000630759286 676920651 /nfs/dbraw/zinc/92/06/51/676920651.db2.gz JFOMTXRJSIPDGC-CQSZACIVSA-N -1 1 350.846 2.353 20 0 FEADMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC000631460096 676945505 /nfs/dbraw/zinc/94/55/05/676945505.db2.gz ZYTXSGJQWIKFKZ-JKSUJKDBSA-N -1 1 353.846 2.367 20 0 FEADMM CC[C@@H](CNC(=O)CCc1nn[n-]n1)Oc1ccccc1C(F)(F)F ZINC000631704366 676952759 /nfs/dbraw/zinc/95/27/59/676952759.db2.gz ZXXGGHIPLLHKTD-JTQLQIEISA-N -1 1 357.336 2.125 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CN1c1ccccc1 ZINC000631803130 676958463 /nfs/dbraw/zinc/95/84/63/676958463.db2.gz MRBHFERIMRNDJE-JTQLQIEISA-N -1 1 356.350 2.301 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)N1CCc2ccccc2C1 ZINC000631883163 676961846 /nfs/dbraw/zinc/96/18/46/676961846.db2.gz XFKSJXJXQYERRG-UHFFFAOYSA-N -1 1 370.377 2.080 20 0 FEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)on1 ZINC000631970442 676967743 /nfs/dbraw/zinc/96/77/43/676967743.db2.gz SFBZJOFSVIWMFZ-UHFFFAOYSA-N -1 1 352.338 2.029 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000632096939 676975496 /nfs/dbraw/zinc/97/54/96/676975496.db2.gz KIPBRXNGCLVPSN-JTQLQIEISA-N -1 1 355.382 2.302 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1cscc1Br ZINC000632147082 676978402 /nfs/dbraw/zinc/97/84/02/676978402.db2.gz BBBMVHKXMSXSGF-RXMQYKEDSA-N -1 1 368.196 2.102 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)sn1 ZINC000632160611 676979065 /nfs/dbraw/zinc/97/90/65/676979065.db2.gz HMKPXQIDVHDJRM-UKRRQHHQSA-N -1 1 373.450 2.453 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)C1CCCCC1 ZINC000632269430 676984625 /nfs/dbraw/zinc/98/46/25/676984625.db2.gz HNQXHYFBYMFNLF-GFCCVEGCSA-N -1 1 355.382 2.038 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000632269955 676984763 /nfs/dbraw/zinc/98/47/63/676984763.db2.gz WTYHACHWPVTHDK-CYBMUJFWSA-N -1 1 365.455 2.014 20 0 FEADMM Cn1ccnc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCO1 ZINC000632429619 676993618 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FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000021003762 539679241 /nfs/dbraw/zinc/67/92/41/539679241.db2.gz YWQHBQRTXTWPAH-VIFPVBQESA-N -1 1 351.255 2.283 20 0 FEADMM COc1cc(NC(=O)c2ccc3[nH]cnc3c2)ccc1[N-]S(C)(=O)=O ZINC000029955695 539870326 /nfs/dbraw/zinc/87/03/26/539870326.db2.gz MNEKQPWRLDAQIE-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM COc1cc(NC(=O)c2cn3ccc(C)cc3n2)ccc1[N-]S(C)(=O)=O ZINC000029969019 539870693 /nfs/dbraw/zinc/87/06/93/539870693.db2.gz OCLSQEKKMXUPGN-UHFFFAOYSA-N -1 1 374.422 2.275 20 0 FEADMM CC(C)Cn1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000030571252 539885556 /nfs/dbraw/zinc/88/55/56/539885556.db2.gz MJPKAZVVUUTQDB-UHFFFAOYSA-N -1 1 368.459 2.461 20 0 FEADMM NC(=O)COc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000031184580 539900264 /nfs/dbraw/zinc/90/02/64/539900264.db2.gz MNDMAGOMQIQJDH-UHFFFAOYSA-N -1 1 365.183 2.271 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cc[nH]n4)c3)ccc2N1 ZINC000031534664 539909842 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CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NN=c2nc(OC)cc[n-]2)c1 ZINC000047139381 540291930 /nfs/dbraw/zinc/29/19/30/540291930.db2.gz GZHFFPFEJNEEMS-LBPRGKRZSA-N -1 1 372.429 2.296 20 0 FEADMM O=C(CCCNC(=O)C1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000048130725 540346604 /nfs/dbraw/zinc/34/66/04/540346604.db2.gz XMBPDABFLOZPSM-UHFFFAOYSA-N -1 1 358.438 2.120 20 0 FEADMM CCn1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1=O ZINC000048208812 540351425 /nfs/dbraw/zinc/35/14/25/540351425.db2.gz PQHALTPLNNTGKO-UHFFFAOYSA-N -1 1 363.258 2.493 20 0 FEADMM CC(C)c1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)s1 ZINC000052618420 540478675 /nfs/dbraw/zinc/47/86/75/540478675.db2.gz UTTKIULLOJUESG-UHFFFAOYSA-N -1 1 372.447 2.303 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1 ZINC000055556162 540658532 /nfs/dbraw/zinc/65/85/32/540658532.db2.gz FXAIAKXXEJKHPS-UHFFFAOYSA-N -1 1 358.423 2.042 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000055595195 540662091 /nfs/dbraw/zinc/66/20/91/540662091.db2.gz 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/nfs/dbraw/zinc/11/13/19/674111319.db2.gz ROVWODGCSJUSNZ-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)CC1 ZINC000068426849 541589795 /nfs/dbraw/zinc/58/97/95/541589795.db2.gz UUXJXJCPBINKMT-CQSZACIVSA-N -1 1 372.450 2.485 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000068453824 541594492 /nfs/dbraw/zinc/59/44/92/541594492.db2.gz NYPPPMCDLYITNP-UHFFFAOYSA-N -1 1 372.454 2.150 20 0 FEADMM COCCOCCC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424667 541590156 /nfs/dbraw/zinc/59/01/56/541590156.db2.gz VCRVMEQOODTAGM-UHFFFAOYSA-N -1 1 354.476 2.035 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(N3CCCC3)nc2)CC1 ZINC000068427347 541590232 /nfs/dbraw/zinc/59/02/32/541590232.db2.gz ZBCDVTKIABZKLM-UHFFFAOYSA-N -1 1 372.498 2.493 20 0 FEADMM CCN1C[C@@H](C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)CC1=O ZINC000068435259 541591550 /nfs/dbraw/zinc/59/15/50/541591550.db2.gz LZFJFRJASPPMMM-ZDUSSCGKSA-N -1 1 365.503 2.096 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000068716628 541621935 /nfs/dbraw/zinc/62/19/35/541621935.db2.gz WUXJNLFSMVLKQU-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H](C)Oc2ccccc2)c(=O)[n-]1 ZINC000070903418 541750280 /nfs/dbraw/zinc/75/02/80/541750280.db2.gz MHXFSAKFDJHROR-LBPRGKRZSA-N -1 1 361.467 2.317 20 0 FEADMM Cn1cc(C(=O)COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cn1 ZINC000801360508 674124361 /nfs/dbraw/zinc/12/43/61/674124361.db2.gz HLUNDOPUGPCTNJ-UHFFFAOYSA-N -1 1 360.757 2.005 20 0 FEADMM CCOc1cc(C(=O)N(C)CC(=O)Nc2cc(C)on2)cc(Cl)c1[O-] ZINC000545170100 541889114 /nfs/dbraw/zinc/88/91/14/541889114.db2.gz PJDLVPBAPBOFGS-UHFFFAOYSA-N -1 1 367.789 2.451 20 0 FEADMM O=C1NCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000073867092 542009227 /nfs/dbraw/zinc/00/92/27/542009227.db2.gz YPJZXRSJCJJLGT-UHFFFAOYSA-N -1 1 353.350 2.295 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)o1 ZINC000073898700 542013232 /nfs/dbraw/zinc/01/32/32/542013232.db2.gz DLFGGGCNKCCXNM-MRVPVSSYSA-N -1 1 355.441 2.021 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(Cl)nc2)c(=O)[n-]1 ZINC000074292995 542065713 /nfs/dbraw/zinc/06/57/13/542065713.db2.gz QGSBZKSEIHCDNR-UHFFFAOYSA-N -1 1 366.874 2.440 20 0 FEADMM CC(C)(O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000075237910 542163016 /nfs/dbraw/zinc/16/30/16/542163016.db2.gz VZQLXNMVSBVUOS-UHFFFAOYSA-N -1 1 366.414 2.127 20 0 FEADMM COc1ccc(O[C@@H](C)CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000075506989 542182848 /nfs/dbraw/zinc/18/28/48/542182848.db2.gz HBENIRWYSKBRGW-LBPRGKRZSA-N -1 1 353.378 2.129 20 0 FEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCSCCC(F)(F)F ZINC000872511758 684969445 /nfs/dbraw/zinc/96/94/45/684969445.db2.gz JXZPXMJURMHLIN-HXUWFJFHSA-N -1 1 370.484 2.403 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)c[nH]1 ZINC000551445471 674145242 /nfs/dbraw/zinc/14/52/42/674145242.db2.gz ULEFDHWAMFMQPC-UHFFFAOYSA-N -1 1 360.395 2.096 20 0 FEADMM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1nnn[n-]1 ZINC000076964015 542335707 /nfs/dbraw/zinc/33/57/07/542335707.db2.gz LTQOWVTYELIUBS-UHFFFAOYSA-N -1 1 363.356 2.373 20 0 FEADMM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1nn[n-]n1 ZINC000076964015 542335709 /nfs/dbraw/zinc/33/57/09/542335709.db2.gz LTQOWVTYELIUBS-UHFFFAOYSA-N -1 1 363.356 2.373 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cn3cccnc3=O)c2)c1 ZINC000077958109 542433668 /nfs/dbraw/zinc/43/36/68/542433668.db2.gz APWZREXZGYDSBY-UHFFFAOYSA-N -1 1 355.419 2.401 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(O)CC3)cc2)cc1 ZINC000079085363 542499376 /nfs/dbraw/zinc/49/93/76/542499376.db2.gz NAADQMUUZHTZRX-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000071848799 221382361 /nfs/dbraw/zinc/38/23/61/221382361.db2.gz VCTBUWPMVOEJKU-UHFFFAOYSA-N -1 1 360.844 2.049 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccco1 ZINC000080789763 542608069 /nfs/dbraw/zinc/60/80/69/542608069.db2.gz AQIBQESMFNCGOQ-MRXNPFEDSA-N -1 1 361.423 2.190 20 0 FEADMM Cn1cnc2cc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)ccc21 ZINC000091160909 542795705 /nfs/dbraw/zinc/79/57/05/542795705.db2.gz HSVDLZHDWKTJNI-UHFFFAOYSA-N -1 1 362.386 2.336 20 0 FEADMM CS(=O)(=O)N1CCc2c(cccc2NC(=O)c2cc(F)ccc2[O-])C1 ZINC000094088153 542951290 /nfs/dbraw/zinc/95/12/90/542951290.db2.gz HRDKNUYLXRPKLT-UHFFFAOYSA-N -1 1 364.398 2.101 20 0 FEADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)CS(C)(=O)=O ZINC000094133704 542954298 /nfs/dbraw/zinc/95/42/98/542954298.db2.gz CHJJKUJAOOAVNO-SECBINFHSA-N -1 1 364.261 2.050 20 0 FEADMM CCCCn1nccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000102349550 543066474 /nfs/dbraw/zinc/06/64/74/543066474.db2.gz CDEVYZPWMUYWJO-UHFFFAOYSA-N -1 1 366.425 2.318 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)CC2CCCCC2)C2CCOCC2)n1 ZINC000551887269 674168972 /nfs/dbraw/zinc/16/89/72/674168972.db2.gz FLDHBAIFLLLOJR-OAHLLOKOSA-N -1 1 357.476 2.345 20 0 FEADMM Cc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)[nH]1 ZINC000103252919 543099184 /nfs/dbraw/zinc/09/91/84/543099184.db2.gz BILKOSYDDXBHLQ-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000103943330 543119289 /nfs/dbraw/zinc/11/92/89/543119289.db2.gz XAKXMTCZWSALQH-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM CCN1CCCC[C@H]1C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000104142033 543124791 /nfs/dbraw/zinc/12/47/91/543124791.db2.gz VUQAMEMYNYBAQZ-NSHDSACASA-N -1 1 366.516 2.338 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)o1 ZINC000107698374 543276205 /nfs/dbraw/zinc/27/62/05/543276205.db2.gz VIFGLMAUPFAMTP-UHFFFAOYSA-N -1 1 352.393 2.154 20 0 FEADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000108639117 543298592 /nfs/dbraw/zinc/29/85/92/543298592.db2.gz YIHFTYOSUXZZNA-UHFFFAOYSA-N -1 1 369.406 2.058 20 0 FEADMM CCCCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592991 543296830 /nfs/dbraw/zinc/29/68/30/543296830.db2.gz DHLSGAFQJBLXEE-GFCCVEGCSA-N -1 1 356.492 2.006 20 0 FEADMM O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cncc([O-])c1 ZINC000109945570 543344556 /nfs/dbraw/zinc/34/45/56/543344556.db2.gz ZLFNZTHOJBRSOO-KRWDZBQOSA-N -1 1 361.829 2.244 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000111606664 543408630 /nfs/dbraw/zinc/40/86/30/543408630.db2.gz UCJVYOAABONBJD-UHFFFAOYSA-N -1 1 363.776 2.178 20 0 FEADMM O=C(Nc1nnn[n-]1)c1cccnc1Oc1ccc(Br)cc1 ZINC000118685930 543655282 /nfs/dbraw/zinc/65/52/82/543655282.db2.gz XSYBYAIYLNMTNX-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM O=C(Nc1nn[n-]n1)c1cccnc1Oc1ccc(Br)cc1 ZINC000118685930 543655284 /nfs/dbraw/zinc/65/52/84/543655284.db2.gz XSYBYAIYLNMTNX-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM Cc1cc(C)nc(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)n1 ZINC000123155728 543745744 /nfs/dbraw/zinc/74/57/44/543745744.db2.gz MZCUFYXNXWCFNF-UHFFFAOYSA-N -1 1 366.421 2.228 20 0 FEADMM Cc1[nH]c(=O)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1Br ZINC000123399845 543759752 /nfs/dbraw/zinc/75/97/52/543759752.db2.gz GZEBTLPJVPXIAH-UHFFFAOYSA-N -1 1 366.097 2.247 20 0 FEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1Cl ZINC000123443573 543761643 /nfs/dbraw/zinc/76/16/43/543761643.db2.gz GPSSDSAHGPQYTR-LBPRGKRZSA-N -1 1 357.840 2.147 20 0 FEADMM C[C@@H](CN(C)C(=O)CSc1cccc(Br)c1)c1nn[n-]n1 ZINC000124309985 543813677 /nfs/dbraw/zinc/81/36/77/543813677.db2.gz YPPQNZACBKSTCU-VIFPVBQESA-N -1 1 370.276 2.316 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccnc(OCc2ccccc2)c1)c1nn[n-]n1 ZINC000124338589 543814641 /nfs/dbraw/zinc/81/46/41/543814641.db2.gz VISYTSDXOLQRJR-ZDUSSCGKSA-N -1 1 352.398 2.049 20 0 FEADMM C[C@H](CN(C)C(=O)c1c(F)cc(Br)cc1F)c1nn[n-]n1 ZINC000124489209 543825758 /nfs/dbraw/zinc/82/57/58/543825758.db2.gz LDIIAWWSDFURLE-ZCFIWIBFSA-N -1 1 360.162 2.116 20 0 FEADMM C[C@H](CN(C)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1nn[n-]n1 ZINC000124052613 543798121 /nfs/dbraw/zinc/79/81/21/543798121.db2.gz HLZGSTGSQPMTNS-PRHODGIISA-N -1 1 358.229 2.192 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1-c1cc(C)cc(C)c1 ZINC000124168916 543804343 /nfs/dbraw/zinc/80/43/43/543804343.db2.gz LWOAYZWMQMPIGZ-ZDUSSCGKSA-N -1 1 353.430 2.186 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(Cc2cccc(F)c2)n1)c1nn[n-]n1 ZINC000124175960 543805320 /nfs/dbraw/zinc/80/53/20/543805320.db2.gz HERYJIPIKRSDSI-SNVBAGLBSA-N -1 1 360.418 2.262 20 0 FEADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000126088219 543917188 /nfs/dbraw/zinc/91/71/88/543917188.db2.gz GAGBYTRTJAAKFP-UONOGXRCSA-N -1 1 370.453 2.080 20 0 FEADMM O=C(NCCc1cscn1)c1cc(I)ccc1[O-] ZINC000126716141 543952433 /nfs/dbraw/zinc/95/24/33/543952433.db2.gz VEJPFOVNCIEOMI-UHFFFAOYSA-N -1 1 374.203 2.426 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1=N ZINC000128272056 544042690 /nfs/dbraw/zinc/04/26/90/544042690.db2.gz QXNUWFGFJSWPTR-UHFFFAOYSA-N -1 1 374.489 2.261 20 0 FEADMM O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129339849 544106245 /nfs/dbraw/zinc/10/62/45/544106245.db2.gz SDWFNIHXKOKYMH-NSHDSACASA-N -1 1 355.320 2.047 20 0 FEADMM O=C(c1cc(F)cc(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129443806 544112920 /nfs/dbraw/zinc/11/29/20/544112920.db2.gz WCSKUWHYZKJMLA-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM CCOCCO[C@H]1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000130071575 544137946 /nfs/dbraw/zinc/13/79/46/544137946.db2.gz YQYSGZJJMOOVBR-INIZCTEOSA-N -1 1 358.442 2.081 20 0 FEADMM C[C@@H]1CN(c2ccc(CNC(=O)c3c([O-])cccc3F)cn2)C[C@H](C)O1 ZINC000130469828 544152530 /nfs/dbraw/zinc/15/25/30/544152530.db2.gz RDBBXLYAMKTRBI-BETUJISGSA-N -1 1 359.401 2.470 20 0 FEADMM Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc1 ZINC000130532014 544154665 /nfs/dbraw/zinc/15/46/65/544154665.db2.gz LJWRLKZBXLDMCX-UHFFFAOYSA-N -1 1 360.435 2.323 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000131296746 544184578 /nfs/dbraw/zinc/18/45/78/544184578.db2.gz PNVPUTRTBANTIN-CQSZACIVSA-N -1 1 369.469 2.170 20 0 FEADMM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000131686129 544201652 /nfs/dbraw/zinc/20/16/52/544201652.db2.gz QHOCTJZVAQAHRZ-JTQLQIEISA-N -1 1 368.842 2.445 20 0 FEADMM CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000133040603 544253520 /nfs/dbraw/zinc/25/35/20/544253520.db2.gz DVTSZAJBXBLAGJ-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000133044821 544253682 /nfs/dbraw/zinc/25/36/82/544253682.db2.gz CUCGDNILZQDTQZ-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(C(=O)N(CC)CCC)cc1)c1nn[n-]n1 ZINC000136644646 544375828 /nfs/dbraw/zinc/37/58/28/544375828.db2.gz PHGMKVXWKDZTSV-OAHLLOKOSA-N -1 1 358.446 2.343 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(C(=O)N(CC)CCC)cc1)c1nn[n-]n1 ZINC000136644609 544376025 /nfs/dbraw/zinc/37/60/25/544376025.db2.gz PHGMKVXWKDZTSV-HNNXBMFYSA-N -1 1 358.446 2.343 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2OC(C)C)o1 ZINC000151051959 544500420 /nfs/dbraw/zinc/50/04/20/544500420.db2.gz WSVCNAFBJPYENB-UHFFFAOYSA-N -1 1 366.439 2.213 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000152344582 544641671 /nfs/dbraw/zinc/64/16/71/544641671.db2.gz VAGSDXLUPRUTOW-LLVKDONJSA-N -1 1 370.215 2.431 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cn(C(C)(C)C)nc2C)o1 ZINC000153028944 544724839 /nfs/dbraw/zinc/72/48/39/544724839.db2.gz NOODNUGYBDRFFR-LLVKDONJSA-N -1 1 369.443 2.366 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2ncccc2C)C(C)C)c1 ZINC000153193022 544745699 /nfs/dbraw/zinc/74/56/99/544745699.db2.gz WJRFTODGPGHRBG-AWEZNQCLSA-N -1 1 352.412 2.445 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)o1 ZINC000153328698 544762353 /nfs/dbraw/zinc/76/23/53/544762353.db2.gz JDAFMASHXAKHHQ-KCJUWKMLSA-N -1 1 372.805 2.266 20 0 FEADMM CCCCO[C@H]1C[C@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(C)C ZINC000154828126 544955212 /nfs/dbraw/zinc/95/52/12/544955212.db2.gz SIAHHSMXOZFMQO-KBPBESRZSA-N -1 1 372.487 2.244 20 0 FEADMM O=S(=O)([N-]Cc1nccn1CC(F)(F)F)c1cc(F)ccc1F ZINC000552709852 674221163 /nfs/dbraw/zinc/22/11/63/674221163.db2.gz DEKRNJLKSRMFNL-UHFFFAOYSA-N -1 1 355.288 2.202 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@]1(O)CCc2ccccc2C1 ZINC000803172371 674226591 /nfs/dbraw/zinc/22/65/91/674226591.db2.gz NJKTZRIAIWKVKC-MRXNPFEDSA-N -1 1 363.211 2.408 20 0 FEADMM Cc1nnc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)o1 ZINC000553480986 674265100 /nfs/dbraw/zinc/26/51/00/674265100.db2.gz HUNIIUJJHXSQFJ-UHFFFAOYSA-N -1 1 362.386 2.930 20 0 FEADMM O=S(=O)([N-]Cc1nccc(C(F)F)n1)c1ccc(F)c(F)c1F ZINC000553569619 674271677 /nfs/dbraw/zinc/27/16/77/674271677.db2.gz KIPAFAUBPRGJND-UHFFFAOYSA-N -1 1 353.272 2.310 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)CCOC(C)C)c2ccc(Cl)cc2)no1 ZINC000179987414 327667256 /nfs/dbraw/zinc/66/72/56/327667256.db2.gz ZDCBRISIYSETKP-AWEZNQCLSA-N -1 1 373.862 2.465 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4c(c3)N(C)CC4)cc12 ZINC000181163965 327718955 /nfs/dbraw/zinc/71/89/55/327718955.db2.gz XLXOIUWVAXWKHL-UHFFFAOYSA-N -1 1 357.439 2.070 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1cc(C)cc(C)c1 ZINC000184260192 327858819 /nfs/dbraw/zinc/85/88/19/327858819.db2.gz KAAUWGADKIMFAR-MRXNPFEDSA-N -1 1 365.455 2.273 20 0 FEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184947679 327891198 /nfs/dbraw/zinc/89/11/98/327891198.db2.gz SMJYPSIMTCOUIL-UHFFFAOYSA-N -1 1 371.462 2.389 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(N(C)c2ccccc2)nc1)c1nn[n-]n1 ZINC000187270514 328012284 /nfs/dbraw/zinc/01/22/84/328012284.db2.gz VWKDVNCGRRCYCB-CYBMUJFWSA-N -1 1 351.414 2.238 20 0 FEADMM C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187370779 328020179 /nfs/dbraw/zinc/02/01/79/328020179.db2.gz HRXFYQWMERBPDJ-YFKPBYRVSA-N -1 1 363.060 2.415 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000187551358 328032939 /nfs/dbraw/zinc/03/29/39/328032939.db2.gz FZYSTFUBXUJNHR-UHOFOFEASA-N -1 1 371.441 2.285 20 0 FEADMM CCCC(=O)N1CCC[C@@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000188339321 328081652 /nfs/dbraw/zinc/08/16/52/328081652.db2.gz CYLNZOQPYNTSRH-SECBINFHSA-N -1 1 356.220 2.279 20 0 FEADMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188460131 328088363 /nfs/dbraw/zinc/08/83/63/328088363.db2.gz OVHDTANOLCCOBN-ZETCQYMHSA-N -1 1 357.234 2.278 20 0 FEADMM CC(C)c1nnc2ccc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)cn21 ZINC000189079573 328127443 /nfs/dbraw/zinc/12/74/43/328127443.db2.gz DKMPTTQZNRZJGW-UHFFFAOYSA-N -1 1 351.370 2.092 20 0 FEADMM CC1(C)[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1O ZINC000190614780 328219624 /nfs/dbraw/zinc/21/96/24/328219624.db2.gz MGGIZPZBDDVZIR-SJORKVTESA-N -1 1 374.462 2.377 20 0 FEADMM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190646969 328221810 /nfs/dbraw/zinc/22/18/10/328221810.db2.gz JJPXBCYIZXEWIS-DLBZAZTESA-N -1 1 374.462 2.377 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1C ZINC000192713864 328334600 /nfs/dbraw/zinc/33/46/00/328334600.db2.gz HGWPBCLKPGSVAR-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)o1 ZINC000192757279 328337613 /nfs/dbraw/zinc/33/76/13/328337613.db2.gz VCCMWXDBKAZJSV-UHFFFAOYSA-N -1 1 361.379 2.488 20 0 FEADMM CCO[C@@H](CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000192766833 328338291 /nfs/dbraw/zinc/33/82/91/328338291.db2.gz IMNIJPIFHMINDH-KRWDZBQOSA-N -1 1 368.437 2.076 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2ccoc2Br)s1 ZINC000193749324 328392904 /nfs/dbraw/zinc/39/29/04/328392904.db2.gz MVOJYRICRQJAPL-UHFFFAOYSA-N -1 1 360.189 2.252 20 0 FEADMM O=C([N-]c1ccc(F)nc1F)c1sccc1S(=O)(=O)N1CCCC1 ZINC000193675883 328389287 /nfs/dbraw/zinc/38/92/87/328389287.db2.gz DKDCHVRMWPBJEE-UHFFFAOYSA-N -1 1 373.406 2.458 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)c2)n[nH]1 ZINC000194023834 328407441 /nfs/dbraw/zinc/40/74/41/328407441.db2.gz REXBLLPOJKJNRN-UHFFFAOYSA-N -1 1 369.406 2.076 20 0 FEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000014101082 324376454 /nfs/dbraw/zinc/37/64/54/324376454.db2.gz VLQBICIVBHYIOI-UHFFFAOYSA-N -1 1 364.471 2.234 20 0 FEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000048443665 324664671 /nfs/dbraw/zinc/66/46/71/324664671.db2.gz IHBYOYPOQITNHQ-IONNQARKSA-N -1 1 370.290 2.377 20 0 FEADMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)N1CCCCC1 ZINC000057222002 324824343 /nfs/dbraw/zinc/82/43/43/324824343.db2.gz CBWYVBWWCNFHCX-SNVBAGLBSA-N -1 1 355.232 2.286 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1ccccc1F ZINC000064317032 324871553 /nfs/dbraw/zinc/87/15/53/324871553.db2.gz PGDBMMGQTPRTIS-UHFFFAOYSA-N -1 1 356.401 2.482 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(C(=O)N2CCOCC2)CC1 ZINC000078566511 325051812 /nfs/dbraw/zinc/05/18/12/325051812.db2.gz DXLXANCWGCWGKL-UHFFFAOYSA-N -1 1 368.433 2.256 20 0 FEADMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC ZINC000078790992 325062574 /nfs/dbraw/zinc/06/25/74/325062574.db2.gz SHRAIEYXQXSNPO-UHFFFAOYSA-N -1 1 359.426 2.323 20 0 FEADMM CCn1c(CNC(=O)c2c[nH]nc2-c2ccc(OC)cc2)n[n-]c1=S ZINC000080033394 325115025 /nfs/dbraw/zinc/11/50/25/325115025.db2.gz DXDQZLSEBIIDRC-UHFFFAOYSA-N -1 1 358.427 2.289 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCSC(C)(C)C1 ZINC000083005619 325209830 /nfs/dbraw/zinc/20/98/30/325209830.db2.gz VOIKSZZYIABEOL-UHFFFAOYSA-N -1 1 358.467 2.037 20 0 FEADMM CCC[C@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1nn[n-]n1 ZINC000090061038 325352777 /nfs/dbraw/zinc/35/27/77/325352777.db2.gz NTMQCVNVCSOQJS-HOCLYGCPSA-N -1 1 370.457 2.217 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000091160943 325376294 /nfs/dbraw/zinc/37/62/94/325376294.db2.gz YAHWNXQJIKCAKZ-HNNXBMFYSA-N -1 1 350.371 2.139 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)o1 ZINC000107700140 325633419 /nfs/dbraw/zinc/63/34/19/325633419.db2.gz ULXJDSVZHJKQCV-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@](C)(O)c1ccccc1 ZINC000114549656 325903503 /nfs/dbraw/zinc/90/35/03/325903503.db2.gz GUZHHYDGNVELHN-HXUWFJFHSA-N -1 1 368.437 2.008 20 0 FEADMM O=S(=O)([N-]CC1(O)CCCC1)c1cc(Br)cnc1Cl ZINC000114850785 325926868 /nfs/dbraw/zinc/92/68/68/325926868.db2.gz FLBIXSKAHRHUIC-UHFFFAOYSA-N -1 1 369.668 2.081 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000115170874 325943903 /nfs/dbraw/zinc/94/39/03/325943903.db2.gz HSPNECFSPJHMAM-GOSISDBHSA-N -1 1 363.417 2.435 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC[C@@H](C)O)c2)cc1 ZINC000118719257 326098519 /nfs/dbraw/zinc/09/85/19/326098519.db2.gz QAQBYQHYTFKQTD-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c2=O ZINC000119169526 326133590 /nfs/dbraw/zinc/13/35/90/326133590.db2.gz SIXGCBODYYQVJS-CVEARBPZSA-N -1 1 370.384 2.463 20 0 FEADMM CC(C)COC[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccco1 ZINC000119199902 326136780 /nfs/dbraw/zinc/13/67/80/326136780.db2.gz CACYQVXOYOYAOL-AWEZNQCLSA-N -1 1 358.398 2.411 20 0 FEADMM COC[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(F)c(F)c1 ZINC000119479587 326167453 /nfs/dbraw/zinc/16/74/53/326167453.db2.gz AEBSMVDCZMNKCK-CQSZACIVSA-N -1 1 362.336 2.070 20 0 FEADMM CC[C@H](C)Oc1cc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)ccn1 ZINC000119490679 326168220 /nfs/dbraw/zinc/16/82/20/326168220.db2.gz RMDPWHMWCIFDRU-NSHDSACASA-N -1 1 355.398 2.176 20 0 FEADMM CCCCOc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)c1 ZINC000119624997 326182247 /nfs/dbraw/zinc/18/22/47/326182247.db2.gz JUMFXVJEYDOPSU-UHFFFAOYSA-N -1 1 365.455 2.412 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000120554328 326268092 /nfs/dbraw/zinc/26/80/92/326268092.db2.gz RERXNHFEPIWFDA-UHFFFAOYSA-N -1 1 365.436 2.157 20 0 FEADMM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000120558802 326268249 /nfs/dbraw/zinc/26/82/49/326268249.db2.gz WHQAVNAVDKGGGJ-NSHDSACASA-N -1 1 373.862 2.076 20 0 FEADMM Cc1cc(NC(=O)c2cc(I)ccc2[O-])nn1C ZINC000120890145 326296663 /nfs/dbraw/zinc/29/66/63/326296663.db2.gz FYTUHDBLHVQGBK-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM Cc1nc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000121353778 326332098 /nfs/dbraw/zinc/33/20/98/326332098.db2.gz NPYHZIAYVBRNJF-UHFFFAOYSA-N -1 1 351.403 2.167 20 0 FEADMM COc1cc2c(cc1C[N-]S(=O)(=O)c1c(C)noc1C)O[C@H](C)C2 ZINC000121491229 326342418 /nfs/dbraw/zinc/34/24/18/326342418.db2.gz WSAQWSMBEYQIPL-SECBINFHSA-N -1 1 352.412 2.102 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(OC(C)C)c2)o1 ZINC000123442370 326431813 /nfs/dbraw/zinc/43/18/13/326431813.db2.gz BZJGYVQOPDRRCV-UHFFFAOYSA-N -1 1 366.439 2.247 20 0 FEADMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000123576862 326436619 /nfs/dbraw/zinc/43/66/19/326436619.db2.gz TYNNNGSOFWYRRN-CYBMUJFWSA-N -1 1 351.827 2.486 20 0 FEADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000123799905 326442615 /nfs/dbraw/zinc/44/26/15/326442615.db2.gz XDXLGADASACMLY-JOYOIKCWSA-N -1 1 361.826 2.003 20 0 FEADMM O=C(Nc1ccncc1[O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000125121129 326465826 /nfs/dbraw/zinc/46/58/26/326465826.db2.gz WTPOIQUQVXKVBY-UHFFFAOYSA-N -1 1 352.272 2.245 20 0 FEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127736536 326511779 /nfs/dbraw/zinc/51/17/79/326511779.db2.gz XTYXAWGVIUDHJB-ZDUSSCGKSA-N -1 1 374.404 2.337 20 0 FEADMM Cc1nc(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000131799244 326582139 /nfs/dbraw/zinc/58/21/39/326582139.db2.gz BXBSBZZKXQEVHG-UHFFFAOYSA-N -1 1 359.455 2.108 20 0 FEADMM COc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000133941455 326617192 /nfs/dbraw/zinc/61/71/92/326617192.db2.gz VMIUXOMGTODAIY-UHFFFAOYSA-N -1 1 374.418 2.150 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@](C)(CO)C2CCCCC2)c(=O)[n-]1 ZINC000152887656 326718778 /nfs/dbraw/zinc/71/87/78/326718778.db2.gz MCFPWUKOSVNUQQ-SFHVURJKSA-N -1 1 367.515 2.180 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)c1 ZINC000153238516 326727775 /nfs/dbraw/zinc/72/77/75/326727775.db2.gz YKHKKYQYLPRHHK-UHFFFAOYSA-N -1 1 366.370 2.208 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)co1 ZINC000155550884 326793079 /nfs/dbraw/zinc/79/30/79/326793079.db2.gz VEMJIROOSYTYDD-UHFFFAOYSA-N -1 1 366.414 2.347 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(CO)C3)c2)c1 ZINC000159106749 326919379 /nfs/dbraw/zinc/91/93/79/326919379.db2.gz CTHYQABGHDPPSC-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOc3cccc(F)c32)c(=O)[n-]1 ZINC000161516705 327001751 /nfs/dbraw/zinc/00/17/51/327001751.db2.gz XPFHKMUIZWFEBC-UHFFFAOYSA-N -1 1 363.414 2.298 20 0 FEADMM O=C(c1csc(Cc2cccc(F)c2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000162133696 327017901 /nfs/dbraw/zinc/01/79/01/327017901.db2.gz KGIMQQYOWPGFID-LBPRGKRZSA-N -1 1 372.429 2.406 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)o1 ZINC000171332419 327132650 /nfs/dbraw/zinc/13/26/50/327132650.db2.gz SRRSAOYAUDGSLD-QGZVFWFLSA-N -1 1 371.418 2.102 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cccc2cccnc21 ZINC000171472568 327141864 /nfs/dbraw/zinc/14/18/64/327141864.db2.gz BPWGLUZWZIPGEV-UHFFFAOYSA-N -1 1 361.405 2.047 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c(F)c1 ZINC000171750577 327159061 /nfs/dbraw/zinc/15/90/61/327159061.db2.gz UDJZMMKPAYJVJJ-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(-n4ccnc4)c3)cc2oc1=O ZINC000172212809 327187632 /nfs/dbraw/zinc/18/76/32/327187632.db2.gz QSSSJCJEFXCEFL-UHFFFAOYSA-N -1 1 370.390 2.118 20 0 FEADMM C[C@H](c1nc(Cc2ccccc2)no1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000172870614 327223848 /nfs/dbraw/zinc/22/38/48/327223848.db2.gz NWNUUYRHPFFUFZ-SNVBAGLBSA-N -1 1 359.411 2.191 20 0 FEADMM CNc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)s1 ZINC000172973330 327227582 /nfs/dbraw/zinc/22/75/82/327227582.db2.gz RKMUVGNWGLTDMT-UHFFFAOYSA-N -1 1 357.424 2.153 20 0 FEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000174423464 327326331 /nfs/dbraw/zinc/32/63/31/327326331.db2.gz OKHXKZDYMUYMGF-ZIAGYGMSSA-N -1 1 362.499 2.315 20 0 FEADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nc[nH]n1 ZINC000174545967 327334212 /nfs/dbraw/zinc/33/42/12/327334212.db2.gz KNTRBIJSRQYBML-LBPRGKRZSA-N -1 1 371.422 2.097 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)CC(F)F)o1 ZINC000174620172 327339098 /nfs/dbraw/zinc/33/90/98/327339098.db2.gz JNJJDMKCTMGMJA-UHFFFAOYSA-N -1 1 358.366 2.095 20 0 FEADMM Cc1cccc(O[C@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000174659444 327341967 /nfs/dbraw/zinc/34/19/67/327341967.db2.gz UAPMYAIHKLREDS-CYBMUJFWSA-N -1 1 368.437 2.074 20 0 FEADMM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174673452 327342771 /nfs/dbraw/zinc/34/27/71/327342771.db2.gz NXYUZEOGVBNORT-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCC1(O)CCCCC1 ZINC000174738703 327347558 /nfs/dbraw/zinc/34/75/58/327347558.db2.gz LCPBONVRKZRGJJ-UHFFFAOYSA-N -1 1 352.485 2.481 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)o1 ZINC000175166425 327377859 /nfs/dbraw/zinc/37/78/59/327377859.db2.gz SRQDOZXCCMUKGQ-UHFFFAOYSA-N -1 1 358.366 2.131 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000175219292 327380971 /nfs/dbraw/zinc/38/09/71/327380971.db2.gz HAEKOUMFHFBRGZ-GFCCVEGCSA-N -1 1 367.303 2.111 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000177201879 327505953 /nfs/dbraw/zinc/50/59/53/327505953.db2.gz QFXNTSORXPSICR-STQMWFEESA-N -1 1 352.438 2.490 20 0 FEADMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263412404 328938431 /nfs/dbraw/zinc/93/84/31/328938431.db2.gz JEOWVRQESSDZOZ-ZDUSSCGKSA-N -1 1 360.332 2.345 20 0 FEADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000264534191 329033599 /nfs/dbraw/zinc/03/35/99/329033599.db2.gz LGTQPRWEYUNVAJ-NEPJUHHUSA-N -1 1 354.834 2.049 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000265126869 329093915 /nfs/dbraw/zinc/09/39/15/329093915.db2.gz FRLLHUBFLHNFBU-VHSXEESVSA-N -1 1 364.389 2.029 20 0 FEADMM COCCCOC1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000267098587 329291717 /nfs/dbraw/zinc/29/17/17/329291717.db2.gz LLKSTCRMPNJCML-UHFFFAOYSA-N -1 1 365.474 2.446 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000267361357 329319164 /nfs/dbraw/zinc/31/91/64/329319164.db2.gz WMSRARIBPVJDJU-JXFKEZNVSA-N -1 1 370.453 2.153 20 0 FEADMM CCC[C@H](NC(=O)COc1ccc(F)cc1Br)c1nn[n-]n1 ZINC000268191708 329395059 /nfs/dbraw/zinc/39/50/59/329395059.db2.gz NDDQDRPVAOIZTH-JTQLQIEISA-N -1 1 372.198 2.138 20 0 FEADMM CC[C@H]1CC[C@H](C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])O1 ZINC000268233996 329399481 /nfs/dbraw/zinc/39/94/81/329399481.db2.gz MBGMTJKGONLRTP-BLLLJJGKSA-N -1 1 370.471 2.319 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)CO)cc1 ZINC000268921984 329468529 /nfs/dbraw/zinc/46/85/29/329468529.db2.gz WQRNLDRPNMGUED-CYBMUJFWSA-N -1 1 362.451 2.154 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000268948608 329471099 /nfs/dbraw/zinc/47/10/99/329471099.db2.gz HWENSLQJCFLXOO-CYBMUJFWSA-N -1 1 374.485 2.452 20 0 FEADMM COc1ccc([C@@H]2[C@H](C(=O)[N-]OCc3cccnc3)CCC(=O)N2C)cc1 ZINC000269604140 329533675 /nfs/dbraw/zinc/53/36/75/329533675.db2.gz NMDSDZGSLNZRJI-IEBWSBKVSA-N -1 1 369.421 2.248 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000270035412 329569967 /nfs/dbraw/zinc/56/99/67/329569967.db2.gz QZOPXNBKDZEXQE-GFCCVEGCSA-N -1 1 369.399 2.002 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000270041279 329570398 /nfs/dbraw/zinc/57/03/98/329570398.db2.gz SEXCVHDDJZRENV-GDBMZVCRSA-N -1 1 365.407 2.265 20 0 FEADMM COC[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000270368654 329594629 /nfs/dbraw/zinc/59/46/29/329594629.db2.gz IZXATTCIBZSWJY-QMMMGPOBSA-N -1 1 361.769 2.035 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCOC2(CCC2)C1 ZINC000270828710 329635962 /nfs/dbraw/zinc/63/59/62/329635962.db2.gz LBUSUXNKBMCVOO-UHFFFAOYSA-N -1 1 368.437 2.267 20 0 FEADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cccc1C(=O)N1CCOCC1 ZINC000271317686 329683242 /nfs/dbraw/zinc/68/32/42/329683242.db2.gz WPGSEINWPUONHJ-UHFFFAOYSA-N -1 1 356.378 2.131 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)CCCOC)c1 ZINC000272074520 329749841 /nfs/dbraw/zinc/74/98/41/329749841.db2.gz DDROGEJMBUYBLZ-CYBMUJFWSA-N -1 1 372.487 2.424 20 0 FEADMM Cc1nc(CC(C)C)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000272181929 329758052 /nfs/dbraw/zinc/75/80/52/329758052.db2.gz ZGMZDRULWOZULK-UHFFFAOYSA-N -1 1 369.468 2.255 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)[C@H]2CCCCO2)cc1[N-]S(C)(=O)=O ZINC000272307874 329769002 /nfs/dbraw/zinc/76/90/02/329769002.db2.gz RFTDITUXKVSKSO-BXUZGUMPSA-N -1 1 371.459 2.146 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000273261091 329849988 /nfs/dbraw/zinc/84/99/88/329849988.db2.gz ZIJDBKBRPYOZLC-ZFWWWQNUSA-N -1 1 370.453 2.417 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(OC(C)C)c2)co1 ZINC000273866053 329898058 /nfs/dbraw/zinc/89/80/58/329898058.db2.gz VKIZNBJPXJMREB-UHFFFAOYSA-N -1 1 368.411 2.236 20 0 FEADMM CSc1nc(C)c(CCc2nc(Cc3cc(C)nc(C)n3)no2)c(=O)[n-]1 ZINC000273917114 329902135 /nfs/dbraw/zinc/90/21/35/329902135.db2.gz KTBNBHLNCFQRCL-UHFFFAOYSA-N -1 1 372.454 2.378 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000273981663 329906823 /nfs/dbraw/zinc/90/68/23/329906823.db2.gz UUZDRCVJRPWGEV-UWVGGRQHSA-N -1 1 361.847 2.092 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000274213100 329926896 /nfs/dbraw/zinc/92/68/96/329926896.db2.gz QTKDNGAMLDKWQL-CABCVRRESA-N -1 1 365.407 2.265 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccc(F)c(C)c1 ZINC000274256170 329931530 /nfs/dbraw/zinc/93/15/30/329931530.db2.gz JBYMSKNEVRBUNG-OAHLLOKOSA-N -1 1 369.418 2.104 20 0 FEADMM COc1ccc(NC(=O)N2CCCC3(CC3)C2)cc1[N-]S(C)(=O)=O ZINC000274576549 329962329 /nfs/dbraw/zinc/96/23/29/329962329.db2.gz CCKPQQJKHWEWMJ-UHFFFAOYSA-N -1 1 353.444 2.475 20 0 FEADMM COc1ccc(NC(=O)NCc2ccncc2C)cc1[N-]S(C)(=O)=O ZINC000275200512 330021255 /nfs/dbraw/zinc/02/12/55/330021255.db2.gz HVHANNOZDKIIBR-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM CCc1nc(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cs1 ZINC000281813190 330176084 /nfs/dbraw/zinc/17/60/84/330176084.db2.gz UYIWOUMGFDOWOC-UHFFFAOYSA-N -1 1 363.405 2.165 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)co1 ZINC000367122066 330219403 /nfs/dbraw/zinc/21/94/03/330219403.db2.gz WNQAIKHPMZJQHS-MRXNPFEDSA-N -1 1 370.377 2.038 20 0 FEADMM C[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)c(F)c1 ZINC000554313593 674312207 /nfs/dbraw/zinc/31/22/07/674312207.db2.gz BORNBQZCUVDUIF-QMMMGPOBSA-N -1 1 356.350 2.060 20 0 FEADMM CSC1(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000805388500 674334364 /nfs/dbraw/zinc/33/43/64/674334364.db2.gz PIJPGMPZKTXQLQ-DCAQKATOSA-N -1 1 367.437 2.369 20 0 FEADMM Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3cn[n-]n3)cc2)cc1 ZINC000805606277 674347300 /nfs/dbraw/zinc/34/73/00/674347300.db2.gz HBNSDXAGFYCSEE-UHFFFAOYSA-N -1 1 357.391 2.303 20 0 FEADMM C[C@H]1CSC[C@@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788124 674354039 /nfs/dbraw/zinc/35/40/39/674354039.db2.gz AGLUZDMDNAUYIT-HTFCKZLJSA-N -1 1 367.437 2.225 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c(C(F)(F)F)n1 ZINC000555294705 674355262 /nfs/dbraw/zinc/35/52/62/674355262.db2.gz BBVJDWHNTCDWSR-UHFFFAOYSA-N -1 1 370.356 2.466 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)co1 ZINC000806010636 674363410 /nfs/dbraw/zinc/36/34/10/674363410.db2.gz YFGLUFFQQHPQEG-GFCCVEGCSA-N -1 1 373.333 2.147 20 0 FEADMM O=C(Cc1ccc(OC(F)F)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000555538455 674365431 /nfs/dbraw/zinc/36/54/31/674365431.db2.gz RNIYXYKZUQTTCF-NSHDSACASA-N -1 1 353.325 2.325 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)co1 ZINC000155387230 545520096 /nfs/dbraw/zinc/52/00/96/545520096.db2.gz WKSVJUGYRQMPOU-QFYYESIMSA-N -1 1 366.414 2.380 20 0 FEADMM O=C(N=c1[n-]nc(-c2c(F)cccc2Cl)s1)NCCc1nc[nH]n1 ZINC000481892523 538594309 /nfs/dbraw/zinc/59/43/09/538594309.db2.gz MNZWZEHKWKRPSE-UHFFFAOYSA-N -1 1 367.797 2.480 20 0 FEADMM COc1ccc(S(=O)(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(C)c1F ZINC000488370901 538734029 /nfs/dbraw/zinc/73/40/29/538734029.db2.gz ROXQLNFBDFUVNR-UHFFFAOYSA-N -1 1 365.333 2.278 20 0 FEADMM CCc1nc(=NC(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)[n-][nH]1 ZINC000479051416 538780477 /nfs/dbraw/zinc/78/04/77/538780477.db2.gz UQSSKXKUDIHLDF-LLVKDONJSA-N -1 1 374.470 2.117 20 0 FEADMM COc1ccc(=NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)[n-]n1 ZINC000476362030 538865048 /nfs/dbraw/zinc/86/50/48/538865048.db2.gz COTIXNOIUDDHMO-UHFFFAOYSA-N -1 1 359.405 2.410 20 0 FEADMM Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(Br)ccc1[O-])C2 ZINC000156478514 545629887 /nfs/dbraw/zinc/62/98/87/545629887.db2.gz BWNAUDSHVIWFGY-NSHDSACASA-N -1 1 350.216 2.404 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477368790 561143386 /nfs/dbraw/zinc/14/33/86/561143386.db2.gz YFCXNOWSPABQPH-UHFFFAOYSA-N -1 1 371.824 2.486 20 0 FEADMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)nc1C ZINC000157802631 545785736 /nfs/dbraw/zinc/78/57/36/545785736.db2.gz YCLQNDNBSPKGPQ-SECBINFHSA-N -1 1 359.411 2.391 20 0 FEADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000158749906 545891440 /nfs/dbraw/zinc/89/14/40/545891440.db2.gz ICFZJWGTUSYOQW-UHFFFAOYSA-N -1 1 370.862 2.355 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000478540846 561169132 /nfs/dbraw/zinc/16/91/32/561169132.db2.gz UHVFFCNVXMVELW-MQMHXKEQSA-N -1 1 359.813 2.233 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1cc(Br)ccc1F)c1nn[n-]n1 ZINC000478592099 561170416 /nfs/dbraw/zinc/17/04/16/561170416.db2.gz NCUMPUIEMZIFRU-SECBINFHSA-N -1 1 370.226 2.296 20 0 FEADMM CCCOc1ccc(C(=O)CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000478591190 561170426 /nfs/dbraw/zinc/17/04/26/561170426.db2.gz LZGDJKWHIHKDEF-CYBMUJFWSA-N -1 1 359.430 2.214 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccn(C)n1 ZINC000478643690 561171650 /nfs/dbraw/zinc/17/16/50/561171650.db2.gz CAIPCMRXOAJOLM-UHFFFAOYSA-N -1 1 370.434 2.498 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c(C)cc1C ZINC000478683992 561172749 /nfs/dbraw/zinc/17/27/49/561172749.db2.gz IUAOXFXJEXKTQE-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM C[C@@H](CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)[S@](C)=O ZINC000165953160 546154616 /nfs/dbraw/zinc/15/46/16/546154616.db2.gz UFSCJQBJLAZFOQ-ZJWNCGCPSA-N -1 1 366.483 2.154 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](OCC)C23CCCC3)o1 ZINC000479207163 561184686 /nfs/dbraw/zinc/18/46/86/561184686.db2.gz RBHCHHQGNQSPQX-ZIAGYGMSSA-N -1 1 371.455 2.472 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccn(-c3ccncc3)n1)OCO2 ZINC000479230453 561185378 /nfs/dbraw/zinc/18/53/78/561185378.db2.gz DXGYRGJLHAISMN-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM O=S(=O)([N-]c1ccccc1NS(=O)(=O)C1CC1)c1ccccc1 ZINC000171340062 546204397 /nfs/dbraw/zinc/20/43/97/546204397.db2.gz QJQGUQBTCHDQHB-UHFFFAOYSA-N -1 1 352.437 2.392 20 0 FEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479514734 561191155 /nfs/dbraw/zinc/19/11/55/561191155.db2.gz GZOBBYFUYWFGKK-UHFFFAOYSA-N -1 1 362.436 2.265 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2csc(-c3ccc(OC)cc3)n2)n[n-]1 ZINC000175632659 546324768 /nfs/dbraw/zinc/32/47/68/546324768.db2.gz NJMZJMNBBDGHQF-UHFFFAOYSA-N -1 1 364.452 2.473 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)o1 ZINC000175646493 546327631 /nfs/dbraw/zinc/32/76/31/546327631.db2.gz XXYKFHBIJSZFFN-VXGBXAGGSA-N -1 1 352.412 2.394 20 0 FEADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ncccc2F)ccc1OC ZINC000480102566 561203056 /nfs/dbraw/zinc/20/30/56/561203056.db2.gz FTZLXARTXGMZRJ-UHFFFAOYSA-N -1 1 367.402 2.056 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2)c1nn[n-]n1 ZINC000176751565 546484591 /nfs/dbraw/zinc/48/45/91/546484591.db2.gz JCKCPWPERCFMJG-OAHLLOKOSA-N -1 1 365.441 2.454 20 0 FEADMM CCC[C@@H](NC(=O)C=Cc1cccc(OC)c1OC(F)F)c1nn[n-]n1 ZINC000176765978 546485130 /nfs/dbraw/zinc/48/51/30/546485130.db2.gz ABDSJKFFBDTYAM-ANYFNZRUSA-N -1 1 367.356 2.481 20 0 FEADMM CCC[C@@H](NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)c1nn[n-]n1 ZINC000176780860 546487253 /nfs/dbraw/zinc/48/72/53/546487253.db2.gz ORAOVQGDFGXQMJ-CYBMUJFWSA-N -1 1 373.392 2.287 20 0 FEADMM COc1cc(NC(=O)NC[C@@H](C)C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000480573845 561212177 /nfs/dbraw/zinc/21/21/77/561212177.db2.gz BUBJZJLKOMJGBQ-MRVPVSSYSA-N -1 1 369.365 2.387 20 0 FEADMM COc1cc(NC(=O)NC[C@H](C)C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000480574389 561212214 /nfs/dbraw/zinc/21/22/14/561212214.db2.gz BUBJZJLKOMJGBQ-QMMMGPOBSA-N -1 1 369.365 2.387 20 0 FEADMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000480726748 561215342 /nfs/dbraw/zinc/21/53/42/561215342.db2.gz HZWGZCRRWPGDPB-VIFPVBQESA-N -1 1 368.249 2.441 20 0 FEADMM COc1cc(NC(=O)c2ccnc3ccncc32)ccc1[N-]S(C)(=O)=O ZINC000480891035 561219642 /nfs/dbraw/zinc/21/96/42/561219642.db2.gz HLAKNJQBGWSQFO-UHFFFAOYSA-N -1 1 372.406 2.262 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)o1 ZINC000177516737 546635388 /nfs/dbraw/zinc/63/53/88/546635388.db2.gz AQCURXOLDHEKIY-LBPRGKRZSA-N -1 1 354.428 2.094 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CC[C@@H](O)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000177985243 546717915 /nfs/dbraw/zinc/71/79/15/546717915.db2.gz LWQSUXTURYKMFT-CQSZACIVSA-N -1 1 362.332 2.130 20 0 FEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000481325291 561230823 /nfs/dbraw/zinc/23/08/23/561230823.db2.gz RCTCDWZWWNKPID-UHFFFAOYSA-N -1 1 354.410 2.064 20 0 FEADMM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000481603558 561237057 /nfs/dbraw/zinc/23/70/57/561237057.db2.gz IQZMYTYMQGTSLT-UHFFFAOYSA-N -1 1 369.328 2.009 20 0 FEADMM Cc1cc(C(=O)Nc2cccc(-c3ncco3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000178977772 546882671 /nfs/dbraw/zinc/88/26/71/546882671.db2.gz XAFDTSQAWLHRPE-UHFFFAOYSA-N -1 1 363.333 2.239 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)co1 ZINC000179257362 546920713 /nfs/dbraw/zinc/92/07/13/546920713.db2.gz FPDYUHKVWLTKCV-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM O=C(C[C@@H]1COCCN1C(=O)c1cccc2nn[nH]c21)c1cccs1 ZINC000180142104 547057738 /nfs/dbraw/zinc/05/77/38/547057738.db2.gz GOQVFWKGCJGNLJ-LLVKDONJSA-N -1 1 356.407 2.133 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])C[C@H](C)O1 ZINC000181913246 547403922 /nfs/dbraw/zinc/40/39/22/547403922.db2.gz CLFJZSMRROPQDI-DTORHVGOSA-N -1 1 361.179 2.246 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1C(F)(F)F ZINC000483670716 561281630 /nfs/dbraw/zinc/28/16/30/561281630.db2.gz KKDAYXUMDPGDNF-SNVBAGLBSA-N -1 1 367.327 2.413 20 0 FEADMM COCc1ccccc1COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000182519444 547507660 /nfs/dbraw/zinc/50/76/60/547507660.db2.gz PEBZYAVIXZKXOZ-UHFFFAOYSA-N -1 1 355.394 2.072 20 0 FEADMM Cc1noc(COCC(=O)Nc2cc(C)cc(Br)c2[O-])n1 ZINC000182907278 547571362 /nfs/dbraw/zinc/57/13/62/547571362.db2.gz AXARVNBBPYTLCW-UHFFFAOYSA-N -1 1 356.176 2.310 20 0 FEADMM O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CCCc2cccc(O)c21 ZINC000182927957 547574128 /nfs/dbraw/zinc/57/41/28/547574128.db2.gz FPQADWBLCNBKKM-UHFFFAOYSA-N -1 1 364.405 2.368 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(Cc2ccccc2F)n1)c1nn[n-]n1 ZINC000183422128 547655600 /nfs/dbraw/zinc/65/56/00/547655600.db2.gz XXHFNPYQJWUBEO-JTQLQIEISA-N -1 1 360.418 2.262 20 0 FEADMM Cc1noc(C)c1COc1ccccc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183427652 547656700 /nfs/dbraw/zinc/65/67/00/547656700.db2.gz DQTAFVDXLKMYPN-LLVKDONJSA-N -1 1 370.413 2.259 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000183422600 547657122 /nfs/dbraw/zinc/65/71/22/547657122.db2.gz VJECDCQEUSDLQT-JLLWLGSASA-N -1 1 369.347 2.464 20 0 FEADMM C[C@@H](CN(C)C(=O)C=Cc1cc(Br)cs1)c1nn[n-]n1 ZINC000183437431 547659185 /nfs/dbraw/zinc/65/91/85/547659185.db2.gz AIKWAFFYNSQRBU-RTMURIBGSA-N -1 1 356.249 2.299 20 0 FEADMM COc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1-c1ccccn1 ZINC000183446506 547661624 /nfs/dbraw/zinc/66/16/24/547661624.db2.gz KJHUTILOCQLHTJ-LBPRGKRZSA-N -1 1 352.398 2.146 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2CCC(C)CC2)cc(C(=O)[O-])c1Cl ZINC000184916632 547900579 /nfs/dbraw/zinc/90/05/79/547900579.db2.gz MKBZFCPTYFGLGK-UHFFFAOYSA-N -1 1 374.890 2.357 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)N1CCC(C)CC1 ZINC000184965153 547908155 /nfs/dbraw/zinc/90/81/55/547908155.db2.gz KXRFDSVWRPBGJA-GFCCVEGCSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000184966196 547908202 /nfs/dbraw/zinc/90/82/02/547908202.db2.gz IZHQASZDZSYYCV-AWEZNQCLSA-N -1 1 354.472 2.092 20 0 FEADMM C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185006398 547916081 /nfs/dbraw/zinc/91/60/81/547916081.db2.gz XMLBLIWQTOPFNU-YFKPBYRVSA-N -1 1 363.060 2.415 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)co1 ZINC000485655306 561324981 /nfs/dbraw/zinc/32/49/81/561324981.db2.gz LOPRTGKDJYLGOD-VIFPVBQESA-N -1 1 365.436 2.288 20 0 FEADMM O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186976840 548233398 /nfs/dbraw/zinc/23/33/98/548233398.db2.gz HSNVYERDKXHENB-HUUCEWRRSA-N -1 1 362.376 2.036 20 0 FEADMM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1cc(F)ccc1F ZINC000194725827 548520438 /nfs/dbraw/zinc/52/04/38/548520438.db2.gz DVIBDZDCWIJQDH-UHFFFAOYSA-N -1 1 351.334 2.493 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1 ZINC000194863908 548542633 /nfs/dbraw/zinc/54/26/33/548542633.db2.gz JOVDDTYYOZMXMK-UHFFFAOYSA-N -1 1 371.422 2.417 20 0 FEADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000486806418 561357220 /nfs/dbraw/zinc/35/72/20/561357220.db2.gz ZLLSAOZCKOZWMO-INIZCTEOSA-N -1 1 353.422 2.059 20 0 FEADMM CCc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195166592 548589020 /nfs/dbraw/zinc/58/90/20/548589020.db2.gz XRCYZQHRXDHDRI-NSHDSACASA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195166592 548589023 /nfs/dbraw/zinc/58/90/23/548589023.db2.gz XRCYZQHRXDHDRI-NSHDSACASA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195166592 548589029 /nfs/dbraw/zinc/58/90/29/548589029.db2.gz XRCYZQHRXDHDRI-NSHDSACASA-N -1 1 364.471 2.466 20 0 FEADMM CC(C)(C)c1nc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)no1 ZINC000195290414 548612853 /nfs/dbraw/zinc/61/28/53/548612853.db2.gz YYSCCQLTTOOEMN-UHFFFAOYSA-N -1 1 361.427 2.050 20 0 FEADMM CC(C)(C)c1nc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)no1 ZINC000195290414 548612859 /nfs/dbraw/zinc/61/28/59/548612859.db2.gz YYSCCQLTTOOEMN-UHFFFAOYSA-N -1 1 361.427 2.050 20 0 FEADMM CC(C)(C)c1nc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)no1 ZINC000195290414 548612862 /nfs/dbraw/zinc/61/28/62/548612862.db2.gz YYSCCQLTTOOEMN-UHFFFAOYSA-N -1 1 361.427 2.050 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4nccnc4c3)cc12 ZINC000195443983 548641462 /nfs/dbraw/zinc/64/14/62/548641462.db2.gz IHCISKGIHSEUGU-UHFFFAOYSA-N -1 1 354.395 2.021 20 0 FEADMM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000195475467 548646921 /nfs/dbraw/zinc/64/69/21/548646921.db2.gz LSXHHVDAGWWIFA-WKEGUHRASA-N -1 1 371.673 2.450 20 0 FEADMM O=C(NCc1cscn1)c1cc(I)ccc1[O-] ZINC000225000209 548730517 /nfs/dbraw/zinc/73/05/17/548730517.db2.gz YFRNAIVYQQDKNL-UHFFFAOYSA-N -1 1 360.176 2.383 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000228619357 548754192 /nfs/dbraw/zinc/75/41/92/548754192.db2.gz BDNLHMQNIJMDMQ-SSDOTTSWSA-N -1 1 353.696 2.263 20 0 FEADMM COC1(CNC(=O)c2ccc(I)c([O-])c2)CCC1 ZINC000230909471 548762538 /nfs/dbraw/zinc/76/25/38/548762538.db2.gz UUXKHASUUVOOMT-UHFFFAOYSA-N -1 1 361.179 2.296 20 0 FEADMM CCN(CC(C)(C)O)C(=O)c1ccc(I)c([O-])c1 ZINC000230900384 548762704 /nfs/dbraw/zinc/76/27/04/548762704.db2.gz NQILIHUNRPWHEN-UHFFFAOYSA-N -1 1 363.195 2.230 20 0 FEADMM NS(=O)(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)nc1 ZINC000487522809 561371352 /nfs/dbraw/zinc/37/13/52/561371352.db2.gz YMIZPQMAEMQVSR-UHFFFAOYSA-N -1 1 370.312 2.064 20 0 FEADMM O=C([O-])CCN1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000238164573 548880714 /nfs/dbraw/zinc/88/07/14/548880714.db2.gz WQHLBKZSPBJPHC-IBGZPJMESA-N -1 1 370.424 2.386 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c1 ZINC000244403571 548890978 /nfs/dbraw/zinc/89/09/78/548890978.db2.gz YLTCRRQCIZSOQT-UHFFFAOYSA-N -1 1 360.483 2.251 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ncccc1[O-] ZINC000488248243 561386786 /nfs/dbraw/zinc/38/67/86/561386786.db2.gz CCZAVLIFFCBWCO-GFCCVEGCSA-N -1 1 370.327 2.267 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000488916743 561399421 /nfs/dbraw/zinc/39/94/21/561399421.db2.gz XUAQBPYWCFIPPY-UHFFFAOYSA-N -1 1 354.345 2.248 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488943219 561400090 /nfs/dbraw/zinc/40/00/90/561400090.db2.gz PMCHPYIMCODPQM-LLVKDONJSA-N -1 1 363.368 2.184 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1Cl ZINC000489222415 561406063 /nfs/dbraw/zinc/40/60/63/561406063.db2.gz LGOFIEBKWODMBJ-SECBINFHSA-N -1 1 351.765 2.187 20 0 FEADMM COc1cc(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cc(Cl)c1[O-] ZINC000489313062 561407818 /nfs/dbraw/zinc/40/78/18/561407818.db2.gz KMRNWVOYMIQKSW-LLVKDONJSA-N -1 1 352.818 2.139 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C)c1ccc2ccccc2c1 ZINC000489636763 561416051 /nfs/dbraw/zinc/41/60/51/561416051.db2.gz YIKLROBYHIGYTI-KRWDZBQOSA-N -1 1 373.434 2.074 20 0 FEADMM COC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489730557 561418042 /nfs/dbraw/zinc/41/80/42/561418042.db2.gz XOEVKDAPPRYOAZ-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000262223228 549800236 /nfs/dbraw/zinc/80/02/36/549800236.db2.gz XLELCYADFKQBOI-OALUTQOASA-N -1 1 352.434 2.463 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263278612 549891634 /nfs/dbraw/zinc/89/16/34/549891634.db2.gz SRKFIDLOVKLWTL-XJKSGUPXSA-N -1 1 358.442 2.424 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)n(-c2ccc(F)cc2)n1 ZINC000263305833 549893597 /nfs/dbraw/zinc/89/35/97/549893597.db2.gz HFVINQCHLPLEGY-OCCSQVGLSA-N -1 1 374.416 2.301 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)n(-c2ccc(F)cc2)n1 ZINC000263305834 549893782 /nfs/dbraw/zinc/89/37/82/549893782.db2.gz HFVINQCHLPLEGY-TZMCWYRMSA-N -1 1 374.416 2.301 20 0 FEADMM O=C([O-])CCCNC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000263465177 549902830 /nfs/dbraw/zinc/90/28/30/549902830.db2.gz JWLPMOZWNYKZCQ-AWEZNQCLSA-N -1 1 357.414 2.226 20 0 FEADMM O=C([O-])CCCNC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000263465177 549902831 /nfs/dbraw/zinc/90/28/31/549902831.db2.gz JWLPMOZWNYKZCQ-AWEZNQCLSA-N -1 1 357.414 2.226 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC2=NCCS2)c1)OCC(F)(F)F ZINC000268665593 550101338 /nfs/dbraw/zinc/10/13/38/550101338.db2.gz VTIFMAIRYSXIST-UHFFFAOYSA-N -1 1 363.317 2.336 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCOc2cccc3ccccc32)n1 ZINC000492269270 561450623 /nfs/dbraw/zinc/45/06/23/561450623.db2.gz LDKJJJIUAZPRLK-UHFFFAOYSA-N -1 1 374.422 2.159 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCCOc2cccc3ccccc32)[n-]1 ZINC000492269270 561450624 /nfs/dbraw/zinc/45/06/24/561450624.db2.gz LDKJJJIUAZPRLK-UHFFFAOYSA-N -1 1 374.422 2.159 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccccc1 ZINC000268992201 550142088 /nfs/dbraw/zinc/14/20/88/550142088.db2.gz SJANWJYZCQGBRD-GJZGRUSLSA-N -1 1 355.456 2.168 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCOC3(CCC3)C2)c(=O)[n-]1 ZINC000269010062 550143678 /nfs/dbraw/zinc/14/36/78/550143678.db2.gz AYAXMSGAWNXYOS-LBPRGKRZSA-N -1 1 351.472 2.363 20 0 FEADMM O=C(Cn1cc(C(=O)Nc2ccc(F)cc2[O-])cn1)NC1CCCCC1 ZINC000269021294 550145376 /nfs/dbraw/zinc/14/53/76/550145376.db2.gz JUZAUJJKPYYMPG-UHFFFAOYSA-N -1 1 360.389 2.429 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)o1 ZINC000492939547 561453577 /nfs/dbraw/zinc/45/35/77/561453577.db2.gz ZXDVLEZMECYSHB-NSHDSACASA-N -1 1 358.460 2.044 20 0 FEADMM CN(C)c1cccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c1 ZINC000493104560 561454512 /nfs/dbraw/zinc/45/45/12/561454512.db2.gz JIRHAKWRJCMURC-UHFFFAOYSA-N -1 1 350.444 2.171 20 0 FEADMM CC[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1O ZINC000270486665 550276994 /nfs/dbraw/zinc/27/69/94/550276994.db2.gz AMTHMSWQOWMCKT-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@H]1O ZINC000270559477 550283460 /nfs/dbraw/zinc/28/34/60/550283460.db2.gz KAIBUHXGRPFOOT-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H](O)CCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271238394 550356709 /nfs/dbraw/zinc/35/67/09/550356709.db2.gz HBGPALYNIMRAOW-MRVPVSSYSA-N -1 1 350.293 2.004 20 0 FEADMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000271336416 550366307 /nfs/dbraw/zinc/36/63/07/550366307.db2.gz SPYJMRVTCUPXQL-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM O=C([N-]OC1CCCC1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000271681132 550394600 /nfs/dbraw/zinc/39/46/00/550394600.db2.gz OMOIPXBXPJBDTC-UHFFFAOYSA-N -1 1 363.483 2.164 20 0 FEADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272144946 550425265 /nfs/dbraw/zinc/42/52/65/550425265.db2.gz PROFVHSXNMKDMQ-OAHLLOKOSA-N -1 1 356.444 2.106 20 0 FEADMM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000272205924 550428726 /nfs/dbraw/zinc/42/87/26/550428726.db2.gz IFPCJBYIWHFDIS-UHFFFAOYSA-N -1 1 373.384 2.054 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1nn[n-]n1 ZINC000273477903 550500121 /nfs/dbraw/zinc/50/01/21/550500121.db2.gz IECCPRSDEUENCO-NSHDSACASA-N -1 1 360.418 2.422 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCSC[C@H](C)C1 ZINC000276877118 550606218 /nfs/dbraw/zinc/60/62/18/550606218.db2.gz HZTRXWXKQPJTLF-GFCCVEGCSA-N -1 1 358.467 2.307 20 0 FEADMM CCC[C@]1(CO)CCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000277542493 550682553 /nfs/dbraw/zinc/68/25/53/550682553.db2.gz BICLUWCEFVKRMM-HXUWFJFHSA-N -1 1 370.453 2.249 20 0 FEADMM CCc1c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cnn1CCC(C)C ZINC000277573953 550686418 /nfs/dbraw/zinc/68/64/18/550686418.db2.gz LOOOACBVHUYMEL-UHFFFAOYSA-N -1 1 368.459 2.245 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(Cl)o3)CC2)n1 ZINC000277613435 550692028 /nfs/dbraw/zinc/69/20/28/550692028.db2.gz FWVVQIXRQZRWPW-UHFFFAOYSA-N -1 1 352.778 2.248 20 0 FEADMM CCO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000277640774 550695708 /nfs/dbraw/zinc/69/57/08/550695708.db2.gz CQXMPHWNDRYXTP-AWEZNQCLSA-N -1 1 353.396 2.122 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cn1 ZINC000277707232 550704471 /nfs/dbraw/zinc/70/44/71/550704471.db2.gz RBCBUBGPWIJVNE-UHFFFAOYSA-N -1 1 357.819 2.186 20 0 FEADMM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000278530702 550795856 /nfs/dbraw/zinc/79/58/56/550795856.db2.gz HNOVJOFQKURAIG-RHSMWYFYSA-N -1 1 359.422 2.031 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc(C(=O)OC)c[n-]2)c1C ZINC000278630652 550805888 /nfs/dbraw/zinc/80/58/88/550805888.db2.gz KQACPWRAGZHDQN-UHFFFAOYSA-N -1 1 365.411 2.293 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCC3=CCCC3)CC2)n1 ZINC000279038648 550849630 /nfs/dbraw/zinc/84/96/30/550849630.db2.gz LGGNXRJVYFTBIQ-UHFFFAOYSA-N -1 1 361.446 2.371 20 0 FEADMM C[C@H](O)CCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000279194677 550863646 /nfs/dbraw/zinc/86/36/46/550863646.db2.gz UUMBZTIRYRTIHH-VIFPVBQESA-N -1 1 364.320 2.394 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@H](C)CN2CCOCC2)cc(Cl)c1[O-] ZINC000279275468 550872491 /nfs/dbraw/zinc/87/24/91/550872491.db2.gz JXDXVQGJNGDXEM-GFCCVEGCSA-N -1 1 356.850 2.237 20 0 FEADMM CCC[C@H](CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OCC ZINC000279429543 550889182 /nfs/dbraw/zinc/88/91/82/550889182.db2.gz JAOAUPNQTPASKY-GFCCVEGCSA-N -1 1 369.487 2.241 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2C[C@@H](C)O)c(=O)[n-]1 ZINC000279940904 550945002 /nfs/dbraw/zinc/94/50/02/550945002.db2.gz XDINHMITEAUBBR-YPMHNXCESA-N -1 1 353.488 2.297 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000280176547 550968084 /nfs/dbraw/zinc/96/80/84/550968084.db2.gz VJMZCIWSNHMYEO-SJCJKPOMSA-N -1 1 368.437 2.121 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000280176553 550968231 /nfs/dbraw/zinc/96/82/31/550968231.db2.gz VJMZCIWSNHMYEO-YVEFUNNKSA-N -1 1 368.437 2.121 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c1Cl ZINC000280301074 550978417 /nfs/dbraw/zinc/97/84/17/550978417.db2.gz RKOUGQQQFPQGJM-UHFFFAOYSA-N -1 1 369.752 2.293 20 0 FEADMM CC(C)(O)CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000280815901 551035311 /nfs/dbraw/zinc/03/53/11/551035311.db2.gz HIXPJYMXLJDWQG-UHFFFAOYSA-N -1 1 362.451 2.265 20 0 FEADMM COCCN(C(=O)C(=O)c1ccc([O-])cc1)c1ccc(OC)c(OC)c1 ZINC000281009638 551054530 /nfs/dbraw/zinc/05/45/30/551054530.db2.gz SARJKBTYIVOUIW-UHFFFAOYSA-N -1 1 359.378 2.272 20 0 FEADMM CCCCCc1nnc([N-]C(=O)c2cc(S(N)(=O)=O)ccc2F)s1 ZINC000281232990 551076526 /nfs/dbraw/zinc/07/65/26/551076526.db2.gz NCESJODAESIUEC-UHFFFAOYSA-N -1 1 372.447 2.310 20 0 FEADMM CC(C)c1nn(C)cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281715500 551134305 /nfs/dbraw/zinc/13/43/05/551134305.db2.gz NBGHJFFUVPYALP-UHFFFAOYSA-N -1 1 360.380 2.074 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c(C)c1 ZINC000497276774 561497916 /nfs/dbraw/zinc/49/79/16/561497916.db2.gz PEXUGZYSGNSLTL-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM Cc1ccccc1-n1c(SCc2nn[n-]n2)nnc1-c1ccncc1 ZINC000497358883 561499267 /nfs/dbraw/zinc/49/92/67/561499267.db2.gz XYFXMIBIRNFTAL-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM CCOC(=O)c1c(C)csc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000497529570 561503140 /nfs/dbraw/zinc/50/31/40/561503140.db2.gz NMOUKBUGAXHYKK-UHFFFAOYSA-N -1 1 357.409 2.482 20 0 FEADMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)OC)ccc2[O-])C1 ZINC000282782979 551270067 /nfs/dbraw/zinc/27/00/67/551270067.db2.gz MMKDCSGFHYQGEU-JSGCOSHPSA-N -1 1 362.426 2.402 20 0 FEADMM O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282883680 551281405 /nfs/dbraw/zinc/28/14/05/551281405.db2.gz JVLBIXGVKHYVOS-GFCCVEGCSA-N -1 1 355.423 2.241 20 0 FEADMM O=C(c1cccn1Cc1cccs1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283035455 551300966 /nfs/dbraw/zinc/30/09/66/551300966.db2.gz YXOJPONATRNUMW-GFCCVEGCSA-N -1 1 357.439 2.029 20 0 FEADMM Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283116697 551314353 /nfs/dbraw/zinc/31/43/53/551314353.db2.gz YLSLOPJFLODUOB-UHFFFAOYSA-N -1 1 369.450 2.415 20 0 FEADMM CCC1(O)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000283123018 551315221 /nfs/dbraw/zinc/31/52/21/551315221.db2.gz DCHPQCFBFGPUIT-UHFFFAOYSA-N -1 1 360.435 2.084 20 0 FEADMM CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283163050 551321637 /nfs/dbraw/zinc/32/16/37/551321637.db2.gz GKNGMCRTHXATSH-KBPBESRZSA-N -1 1 358.442 2.397 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)CCc3cccc(OC(C)(C)C)n3)ccnc1-2 ZINC000283199919 551327826 /nfs/dbraw/zinc/32/78/26/551327826.db2.gz NDJPILODQXBTHH-HAHDFKILSA-N -1 1 353.426 2.485 20 0 FEADMM O=C(NCCc1nc2c(s1)CCCC2)c1ccc2n[n-]c(=S)n2c1 ZINC000283223245 551331620 /nfs/dbraw/zinc/33/16/20/551331620.db2.gz AVHKGDPXRZGPPP-UHFFFAOYSA-N -1 1 359.480 2.326 20 0 FEADMM CN1C(=S)N=NC1C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000283240635 551334696 /nfs/dbraw/zinc/33/46/96/551334696.db2.gz ZOFAICJLGAQRAI-UHFFFAOYSA-N -1 1 354.382 2.107 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000283428253 551364528 /nfs/dbraw/zinc/36/45/28/551364528.db2.gz ZYRKTRWLIWXDJJ-GFCCVEGCSA-N -1 1 362.455 2.212 20 0 FEADMM O=C(NCCn1cccn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000498587972 561529769 /nfs/dbraw/zinc/52/97/69/561529769.db2.gz DTTILQFFLSDJAI-UHFFFAOYSA-N -1 1 370.434 2.114 20 0 FEADMM CCN(CC)Cc1nc(C2([N-]S(=O)(=O)c3ccoc3)CCCC2)no1 ZINC000285232894 551724046 /nfs/dbraw/zinc/72/40/46/551724046.db2.gz QPSIEOLAABZDFP-UHFFFAOYSA-N -1 1 368.459 2.252 20 0 FEADMM O=S(=O)([N-]Cc1nncn1C1CC1)c1cc(Cl)sc1Cl ZINC000285799727 551812184 /nfs/dbraw/zinc/81/21/84/551812184.db2.gz YMLBUXBVPBGQSD-UHFFFAOYSA-N -1 1 353.256 2.460 20 0 FEADMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000286478368 551890499 /nfs/dbraw/zinc/89/04/99/551890499.db2.gz ACGMPYYONGHWEN-MRVPVSSYSA-N -1 1 370.338 2.301 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccsc2)c(Br)n1C ZINC000286652310 551910870 /nfs/dbraw/zinc/91/08/70/551910870.db2.gz OLHXQOLBRZLKCA-UHFFFAOYSA-N -1 1 350.263 2.031 20 0 FEADMM CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000286722686 551918910 /nfs/dbraw/zinc/91/89/10/551918910.db2.gz RBHBFGMHVYLCJK-UHFFFAOYSA-N -1 1 359.455 2.205 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCSC(C)(C)C)c(Br)n1C ZINC000286741802 551921036 /nfs/dbraw/zinc/92/10/36/551921036.db2.gz CSLAQOSUUZQGFG-UHFFFAOYSA-N -1 1 370.338 2.301 20 0 FEADMM Cc1cnc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)o1 ZINC000287657288 552031053 /nfs/dbraw/zinc/03/10/53/552031053.db2.gz CPEIFTDQEFCNDX-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM COc1ccccc1C[C@H](C)N(C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287814084 552050218 /nfs/dbraw/zinc/05/02/18/552050218.db2.gz YPKMHIPKGZHJOI-ACIHENLCSA-N -1 1 353.426 2.445 20 0 FEADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287850414 552054688 /nfs/dbraw/zinc/05/46/88/552054688.db2.gz DZKCYCGVJNZEEZ-XZDZFUQXSA-N -1 1 357.458 2.001 20 0 FEADMM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000289049478 552258142 /nfs/dbraw/zinc/25/81/42/552258142.db2.gz MVSALUHOOWOOLU-QGZVFWFLSA-N -1 1 363.421 2.368 20 0 FEADMM CCc1cc(N2CCC[C@H](NC(=O)c3c(F)ccc([O-])c3F)C2)ncn1 ZINC000289528097 552335517 /nfs/dbraw/zinc/33/55/17/552335517.db2.gz PTNMGPOAMQFBTP-LBPRGKRZSA-N -1 1 362.380 2.422 20 0 FEADMM Cn1cc(N2CCC[C@@H](Sc3nc(C(F)F)cc(=O)[n-]3)C2=O)cn1 ZINC000289628494 552352650 /nfs/dbraw/zinc/35/26/50/552352650.db2.gz VQVDUZHCVXRTRO-SNVBAGLBSA-N -1 1 355.370 2.141 20 0 FEADMM Cc1cccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1Br ZINC000289798018 552380396 /nfs/dbraw/zinc/38/03/96/552380396.db2.gz YFLNHMVRKRVERH-SNVBAGLBSA-N -1 1 365.231 2.189 20 0 FEADMM COc1ccc(OC)c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290287545 552454244 /nfs/dbraw/zinc/45/42/44/552454244.db2.gz DWFQGRLCTSHMAH-NSHDSACASA-N -1 1 374.359 2.235 20 0 FEADMM O=C(COCc1ccccc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290386587 552470720 /nfs/dbraw/zinc/47/07/20/552470720.db2.gz OPDKFHUPUBXYOU-AWEZNQCLSA-N -1 1 358.360 2.120 20 0 FEADMM C[C@]1(O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290439028 552479081 /nfs/dbraw/zinc/47/90/81/552479081.db2.gz RSJBGEMRXPFGQW-HNNXBMFYSA-N -1 1 351.200 2.300 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc3[nH]c(=O)oc32)c(=O)[n-]1 ZINC000290564006 552498819 /nfs/dbraw/zinc/49/88/19/552498819.db2.gz KIZNDCIBUWTKSL-UHFFFAOYSA-N -1 1 360.395 2.218 20 0 FEADMM CCOC(=O)c1cccnc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290563535 552498838 /nfs/dbraw/zinc/49/88/38/552498838.db2.gz AQBZZNOIKYVMBV-LLVKDONJSA-N -1 1 359.348 2.153 20 0 FEADMM COc1ccc(NC(=O)c2cnn3ccc(C)cc23)cc1[N-]S(C)(=O)=O ZINC000500962457 561586654 /nfs/dbraw/zinc/58/66/54/561586654.db2.gz ZFQXFLUQFLCKEY-UHFFFAOYSA-N -1 1 374.422 2.275 20 0 FEADMM CC(C)(C)n1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000291097255 552586310 /nfs/dbraw/zinc/58/63/10/552586310.db2.gz LGZFWXXJAPLXSN-NSHDSACASA-N -1 1 360.380 2.169 20 0 FEADMM CCn1nc(C)c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1C ZINC000291350756 552617389 /nfs/dbraw/zinc/61/73/89/552617389.db2.gz ACESCKMMBPSOFQ-LBPRGKRZSA-N -1 1 360.380 2.051 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@H]1CO ZINC000291486480 552629603 /nfs/dbraw/zinc/62/96/03/552629603.db2.gz ATOINIVELUSQIW-VIFPVBQESA-N -1 1 351.200 2.300 20 0 FEADMM CC(C)c1nnc(/C=C/C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000291508168 552631909 /nfs/dbraw/zinc/63/19/09/552631909.db2.gz WCIJYMYREHCECC-QRGHLMKCSA-N -1 1 374.363 2.123 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1cccc(O)c1 ZINC000291628213 552645127 /nfs/dbraw/zinc/64/51/27/552645127.db2.gz ACCXASCBPRRKQO-ZWNOBZJWSA-N -1 1 359.348 2.133 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000291821819 552665241 /nfs/dbraw/zinc/66/52/41/552665241.db2.gz CMBDBBHVENARNM-ZDUSSCGKSA-N -1 1 366.483 2.188 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000291831912 552666273 /nfs/dbraw/zinc/66/62/73/552666273.db2.gz CDUWNVLWUCNTLP-OAHLLOKOSA-N -1 1 360.435 2.359 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cn(C)nc2C2CC2)CCCCC1 ZINC000292071682 552690809 /nfs/dbraw/zinc/69/08/09/552690809.db2.gz LGCJYVVRLMEPSB-UHFFFAOYSA-N -1 1 355.460 2.163 20 0 FEADMM Cc1cccnc1CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292236666 552707256 /nfs/dbraw/zinc/70/72/56/552707256.db2.gz JGLVVKIIXHSZAY-VXGBXAGGSA-N -1 1 358.364 2.131 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000292529247 552735646 /nfs/dbraw/zinc/73/56/46/552735646.db2.gz RCXVSOUKQLQOJW-UWVGGRQHSA-N -1 1 361.847 2.092 20 0 FEADMM O=C([O-])c1ccc2cccnc2c1NS(=O)(=O)CCC1CCOCC1 ZINC000292545709 552736741 /nfs/dbraw/zinc/73/67/41/552736741.db2.gz WXVXHARKDKUCCM-UHFFFAOYSA-N -1 1 364.423 2.491 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc2nccn2c1 ZINC000292573698 552739162 /nfs/dbraw/zinc/73/91/62/552739162.db2.gz OXBMJOGDRANJEZ-ZYHUDNBSSA-N -1 1 354.332 2.006 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1OCCc2ccccc21 ZINC000292641197 552745780 /nfs/dbraw/zinc/74/57/80/552745780.db2.gz WUAZLVBMNZWXKD-KCPJHIHWSA-N -1 1 370.371 2.358 20 0 FEADMM CC(=O)C1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000293322513 552811372 /nfs/dbraw/zinc/81/13/72/552811372.db2.gz XPAZYXFXQOJTHW-UHFFFAOYSA-N -1 1 372.446 2.473 20 0 FEADMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000293505401 552830600 /nfs/dbraw/zinc/83/06/00/552830600.db2.gz NVWWPYAUOKWELC-RKDXNWHRSA-N -1 1 357.423 2.391 20 0 FEADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H](C)CO ZINC000293934175 552869344 /nfs/dbraw/zinc/86/93/44/552869344.db2.gz IGWFFELBVUPVJQ-AWEZNQCLSA-N -1 1 362.451 2.330 20 0 FEADMM Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000293996225 552873847 /nfs/dbraw/zinc/87/38/47/552873847.db2.gz WXWBYFZBBRTJPW-DGCLKSJQSA-N -1 1 360.380 2.017 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](O)C12CCCC2 ZINC000294121734 552883674 /nfs/dbraw/zinc/88/36/74/552883674.db2.gz KKUFKRRGCBJMQE-INIZCTEOSA-N -1 1 368.437 2.001 20 0 FEADMM CC(C)(C)O[C@@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000294350477 552899139 /nfs/dbraw/zinc/89/91/39/552899139.db2.gz SMQYTDHJXXZESB-LSDHHAIUSA-N -1 1 358.442 2.360 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nc3ccccc3n2C)c(=O)[n-]1 ZINC000294417966 552904486 /nfs/dbraw/zinc/90/44/86/552904486.db2.gz BAZMUKGXDSNBIC-UHFFFAOYSA-N -1 1 371.466 2.348 20 0 FEADMM CCCc1nc(C)c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000294581714 552917639 /nfs/dbraw/zinc/91/76/39/552917639.db2.gz GIQCKSLPYIMBQN-NSHDSACASA-N -1 1 361.364 2.466 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H](CO)C1CCCCC1 ZINC000294664293 552924736 /nfs/dbraw/zinc/92/47/36/552924736.db2.gz SIGFGWQKBZQDLB-MRXNPFEDSA-N -1 1 374.485 2.289 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294739837 552930663 /nfs/dbraw/zinc/93/06/63/552930663.db2.gz ICMYWUOKSMWDMD-WOJBJXKFSA-N -1 1 370.453 2.154 20 0 FEADMM CCOC(=O)C1([S@@](C)=O)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294895488 552942166 /nfs/dbraw/zinc/94/21/66/552942166.db2.gz WVMNEVPWJGALJP-HSZRJFAPSA-N -1 1 359.875 2.322 20 0 FEADMM COc1cccc(N2CC[C@@H](NC(=O)c3ccc4n[n-]c(=S)n4c3)C2)c1 ZINC000295283464 552981619 /nfs/dbraw/zinc/98/16/19/552981619.db2.gz PQEMYBQCDRFNBH-CYBMUJFWSA-N -1 1 369.450 2.035 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3c[nH]nc3C(C)(C)C)CC2)n1 ZINC000295469533 553012152 /nfs/dbraw/zinc/01/21/52/553012152.db2.gz WMTBCLDOLMHGHV-UHFFFAOYSA-N -1 1 374.445 2.022 20 0 FEADMM CC[C@@H](C)[C@@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)OC ZINC000295931780 553077429 /nfs/dbraw/zinc/07/74/29/553077429.db2.gz HBXHGAKNDUIROP-MLGOLLRUSA-N -1 1 358.442 2.272 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1cccc(F)c1Br)c1nn[n-]n1 ZINC000296072302 553100220 /nfs/dbraw/zinc/10/02/20/553100220.db2.gz RZBOSFPQNJTVFR-VIFPVBQESA-N -1 1 370.226 2.296 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1 ZINC000502473254 561619287 /nfs/dbraw/zinc/61/92/87/561619287.db2.gz OUKAGJDXDUTIFT-UHFFFAOYSA-N -1 1 358.370 2.439 20 0 FEADMM CCC[C@H](NCC(=O)NCCOc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000296582441 553183187 /nfs/dbraw/zinc/18/31/87/553183187.db2.gz WXASKDXVHPKQPE-ZDUSSCGKSA-N -1 1 362.348 2.043 20 0 FEADMM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C2 ZINC000503238339 561637652 /nfs/dbraw/zinc/63/76/52/561637652.db2.gz AIOXCRVMPVXIKS-LLVKDONJSA-N -1 1 355.362 2.255 20 0 FEADMM O=C(NC1CCOCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000298905522 553487778 /nfs/dbraw/zinc/48/77/78/553487778.db2.gz ATXVEYWDFMSVFB-UHFFFAOYSA-N -1 1 360.435 2.396 20 0 FEADMM Cc1cc(Br)cc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000299054104 553509204 /nfs/dbraw/zinc/50/92/04/553509204.db2.gz SXLOUDZYOXWNSD-SNVBAGLBSA-N -1 1 365.231 2.189 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCCO2)o1 ZINC000504103597 561653225 /nfs/dbraw/zinc/65/32/25/561653225.db2.gz MFIZUIJREAZLFS-GFCCVEGCSA-N -1 1 358.460 2.045 20 0 FEADMM COCCN1C(=O)N[C@@H](c2ccc([O-])c(Cl)c2)C(C(=O)N(C)C)=C1C ZINC000299278326 553541378 /nfs/dbraw/zinc/54/13/78/553541378.db2.gz AQDLWBKNWARAKY-HNNXBMFYSA-N -1 1 367.833 2.121 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000504147083 561653791 /nfs/dbraw/zinc/65/37/91/561653791.db2.gz MWVIVIALEBJLFB-LLVKDONJSA-N -1 1 361.847 2.094 20 0 FEADMM Cc1cc(C)c(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(=O)[nH]1 ZINC000299633222 553592698 /nfs/dbraw/zinc/59/26/98/553592698.db2.gz SWOYFHRCZJXYDB-UHFFFAOYSA-N -1 1 369.425 2.018 20 0 FEADMM C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)CCO1 ZINC000301169800 553627928 /nfs/dbraw/zinc/62/79/28/553627928.db2.gz JDZLHPMQPBEQAX-LLVKDONJSA-N -1 1 369.393 2.386 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(OCCCO)CC3)nc2)[n-]c(=O)c1C ZINC000301615668 553666104 /nfs/dbraw/zinc/66/61/04/553666104.db2.gz VHLACKXMSNFKTI-UHFFFAOYSA-N -1 1 358.442 2.229 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1 ZINC000505282038 561669124 /nfs/dbraw/zinc/66/91/24/561669124.db2.gz VGVYSCVOEMBNLW-UHFFFAOYSA-N -1 1 358.423 2.257 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC3CCN(C(=O)CC(C)C)CC3)cnc2n1 ZINC000302996182 553742941 /nfs/dbraw/zinc/74/29/41/553742941.db2.gz GQWYIZGMYPJKPC-UHFFFAOYSA-N -1 1 370.453 2.411 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC1CCN(C(=O)CC(C)C)CC1)c2=O ZINC000302996182 553742942 /nfs/dbraw/zinc/74/29/42/553742942.db2.gz GQWYIZGMYPJKPC-UHFFFAOYSA-N -1 1 370.453 2.411 20 0 FEADMM C[C@H]1COCC[C@@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000310633079 553753720 /nfs/dbraw/zinc/75/37/20/553753720.db2.gz MKTUIUYXCQJJIE-KWQFWETISA-N -1 1 361.179 2.152 20 0 FEADMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505730838 561678680 /nfs/dbraw/zinc/67/86/80/561678680.db2.gz CIVMIKHUJJTJGU-MFKMUULPSA-N -1 1 366.439 2.065 20 0 FEADMM C[C@@H]1C[C@]1(NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000505760909 561679665 /nfs/dbraw/zinc/67/96/65/561679665.db2.gz ZXIFAHBHRSLZAL-ADLMAVQZSA-N -1 1 359.813 2.222 20 0 FEADMM COc1ccc(NC(=O)NCc2cccs2)cc1[N-]S(C)(=O)=O ZINC000530616754 562417870 /nfs/dbraw/zinc/41/78/70/562417870.db2.gz DCPOOVPVQGPRFQ-UHFFFAOYSA-N -1 1 355.441 2.450 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000329487016 553956282 /nfs/dbraw/zinc/95/62/82/553956282.db2.gz GMAQKFKYXIVYMU-UHFFFAOYSA-N -1 1 351.863 3.045 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000506731222 561707245 /nfs/dbraw/zinc/70/72/45/561707245.db2.gz QDZMCWFPJIVJMC-UHFFFAOYSA-N -1 1 369.370 2.480 20 0 FEADMM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1cc(Cl)c(Br)cc1F ZINC000330036347 554053050 /nfs/dbraw/zinc/05/30/50/554053050.db2.gz CLGHRLZBINTRSG-ZVVJDGAVSA-N -1 1 370.627 2.165 20 0 FEADMM COc1ccc(O)c(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000507637613 561736206 /nfs/dbraw/zinc/73/62/06/561736206.db2.gz RFBOZLXVNMYVEA-UHFFFAOYSA-N -1 1 367.379 2.055 20 0 FEADMM O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000330215025 554087088 /nfs/dbraw/zinc/08/70/88/554087088.db2.gz GRLUNNKGRKBODB-OAHLLOKOSA-N -1 1 367.405 2.356 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2c(F)ccc(Br)c2F)n[n-]1 ZINC000507711982 561738708 /nfs/dbraw/zinc/73/87/08/561738708.db2.gz YBMJWGPRNLWYLA-UHFFFAOYSA-N -1 1 366.187 2.382 20 0 FEADMM CCC(=O)c1ccc(OCC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000507859750 561743542 /nfs/dbraw/zinc/74/35/42/561743542.db2.gz AFECMMGEZXOOMN-CYBMUJFWSA-N -1 1 359.382 2.153 20 0 FEADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(OC)nc3)ccc2[nH]1 ZINC000507889093 561744562 /nfs/dbraw/zinc/74/45/62/561744562.db2.gz CVPMCZCNJUQRPO-UHFFFAOYSA-N -1 1 359.407 2.295 20 0 FEADMM COCC(=O)Nc1cccc(CNC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000607053828 554117632 /nfs/dbraw/zinc/11/76/32/554117632.db2.gz WVMBMAAXSXJYLG-UHFFFAOYSA-N -1 1 360.439 2.232 20 0 FEADMM COc1cc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc(Cl)c1[O-] ZINC000330639236 554149224 /nfs/dbraw/zinc/14/92/24/554149224.db2.gz GZGMLPQPTNDOCD-UHFFFAOYSA-N -1 1 365.817 2.309 20 0 FEADMM CC(C)[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000330646983 554150276 /nfs/dbraw/zinc/15/02/76/554150276.db2.gz ZNOCWCPDXLKKEH-JSGCOSHPSA-N -1 1 372.487 2.290 20 0 FEADMM O=S(=O)([N-]C[C@H]1COCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000330835381 554177412 /nfs/dbraw/zinc/17/74/12/554177412.db2.gz WPHKHUZWBFGAES-QMMMGPOBSA-N -1 1 359.753 2.053 20 0 FEADMM COc1ccc(N(C(=O)CNC(=O)c2ncccc2[O-])[C@H](C)C2CC2)cc1 ZINC000508371515 561760466 /nfs/dbraw/zinc/76/04/66/561760466.db2.gz YWLPIMMIBYAFHY-CYBMUJFWSA-N -1 1 369.421 2.357 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2(CCO)CCCCC2)o1 ZINC000330946493 554192441 /nfs/dbraw/zinc/19/24/41/554192441.db2.gz FUQXTBCDDACLPB-UHFFFAOYSA-N -1 1 372.487 2.172 20 0 FEADMM COC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCCC1 ZINC000331071962 554208783 /nfs/dbraw/zinc/20/87/83/554208783.db2.gz JESDLKIQUHQWAO-UHFFFAOYSA-N -1 1 372.487 2.436 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCCC1 ZINC000331217005 554232456 /nfs/dbraw/zinc/23/24/56/554232456.db2.gz FLKHZLNFOFJPIH-UHFFFAOYSA-N -1 1 355.218 2.033 20 0 FEADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000331227184 554233743 /nfs/dbraw/zinc/23/37/43/554233743.db2.gz DFWAGNRPPNBNLD-LLVKDONJSA-N -1 1 361.847 2.094 20 0 FEADMM COc1cc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc(Cl)c1[O-] ZINC000331292965 554242423 /nfs/dbraw/zinc/24/24/23/554242423.db2.gz XKFAMQCVLXLSQZ-UHFFFAOYSA-N -1 1 355.822 2.126 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)[nH]c21 ZINC000509173948 561788364 /nfs/dbraw/zinc/78/83/64/561788364.db2.gz HPBHLNZEWXARHO-SNVBAGLBSA-N -1 1 360.414 2.229 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000331697715 554309926 /nfs/dbraw/zinc/30/99/26/554309926.db2.gz ALNJFJHXAZCAHM-LLVKDONJSA-N -1 1 372.244 2.294 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCc2cc(Br)ccc21 ZINC000331697715 554309927 /nfs/dbraw/zinc/30/99/27/554309927.db2.gz ALNJFJHXAZCAHM-LLVKDONJSA-N -1 1 372.244 2.294 20 0 FEADMM O=C([O-])c1cc(NS(=O)(=O)c2cccc3c2OCCO3)ccc1F ZINC000509643904 561808412 /nfs/dbraw/zinc/80/84/12/561808412.db2.gz RZHFAXLJPHIPJK-UHFFFAOYSA-N -1 1 353.327 2.096 20 0 FEADMM N=c1nc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)s[n-]1 ZINC000332278799 554416163 /nfs/dbraw/zinc/41/61/63/554416163.db2.gz HBNKICGFSCOSDU-UHFFFAOYSA-N -1 1 372.281 2.318 20 0 FEADMM Cc1cc(C(=O)NC2CCN(C(=O)c3ncc(C)cc3[O-])CC2)c(C)o1 ZINC000332329697 554426604 /nfs/dbraw/zinc/42/66/04/554426604.db2.gz YJFTYDSRBARAKF-UHFFFAOYSA-N -1 1 357.410 2.340 20 0 FEADMM Cc1cc(NC(=O)CNC(=O)c2ncccc2[O-])ccc1Br ZINC000509900754 561817752 /nfs/dbraw/zinc/81/77/52/561817752.db2.gz SQVNODQDUMYLRV-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)C2)cn1 ZINC000332391984 554437899 /nfs/dbraw/zinc/43/78/99/554437899.db2.gz DAYCUZKDDJSHNC-LBPRGKRZSA-N -1 1 372.853 2.160 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2[nH]cnc2c1 ZINC000509923024 561818704 /nfs/dbraw/zinc/81/87/04/561818704.db2.gz DTDGJODVXFLDGG-UHFFFAOYSA-N -1 1 350.382 2.499 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OC)cc2OC(F)F)n1 ZINC000509993441 561821075 /nfs/dbraw/zinc/82/10/75/561821075.db2.gz UQSPSTBWMSNZKJ-UHFFFAOYSA-N -1 1 355.297 2.449 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)c2cnc3c(F)cc(F)cc3c2O)s[n-]1 ZINC000510076451 561824034 /nfs/dbraw/zinc/82/40/34/561824034.db2.gz GUQRXCQNZQXLJZ-ZCFIWIBFSA-N -1 1 366.349 2.039 20 0 FEADMM CC[C@@]1(C)COCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000332550940 554470246 /nfs/dbraw/zinc/47/02/46/554470246.db2.gz PHVIGPMBZZMDCD-IBGZPJMESA-N -1 1 356.426 2.123 20 0 FEADMM CC(C)(Cc1ccccc1Cl)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000510560370 561838854 /nfs/dbraw/zinc/83/88/54/561838854.db2.gz RESLCIFBQYRXCD-UHFFFAOYSA-N -1 1 361.829 2.308 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)[C@]12CCCO2 ZINC000333273112 554597349 /nfs/dbraw/zinc/59/73/49/554597349.db2.gz CVFDYNBBWGOVQY-DMDPSCGWSA-N -1 1 351.877 2.406 20 0 FEADMM C[C@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@]2(CCOC2)O1 ZINC000333474405 554616702 /nfs/dbraw/zinc/61/67/02/554616702.db2.gz DSYCCSNPMJFIBY-LIRRHRJNSA-N -1 1 358.417 2.612 20 0 FEADMM Fc1ccccc1CN=c1ccc(N2CCO[C@@]3(CCCOC3)C2)n[n-]1 ZINC000333514877 554620079 /nfs/dbraw/zinc/62/00/79/554620079.db2.gz JRVSQLGJIBYIJY-IBGZPJMESA-N -1 1 358.417 2.614 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1sccc1Cl ZINC000333657760 554631115 /nfs/dbraw/zinc/63/11/15/554631115.db2.gz GGJLXSOHQUDCGO-JQWIXIFHSA-N -1 1 365.904 2.248 20 0 FEADMM Cn1ncc2c1CCCN(C(=O)c1ccc(Br)cc1[O-])C2 ZINC000333996976 554666396 /nfs/dbraw/zinc/66/63/96/554666396.db2.gz OMMOQONZPJCKIR-UHFFFAOYSA-N -1 1 350.216 2.477 20 0 FEADMM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4nc[nH]n4)n3)n[nH]2)cc1 ZINC000511031990 561854328 /nfs/dbraw/zinc/85/43/28/561854328.db2.gz RHHGVXOBGDNQGE-UHFFFAOYSA-N -1 1 352.383 2.274 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2ccccn2)no1 ZINC000349825199 554744327 /nfs/dbraw/zinc/74/43/27/554744327.db2.gz YBGKHQHHMIIUMZ-JTQLQIEISA-N -1 1 350.425 2.156 20 0 FEADMM O=C(c1nc[n-]c1-c1nc([C@H]2CN(C3CC3)CCO2)no1)c1ccccc1 ZINC000350050303 554757121 /nfs/dbraw/zinc/75/71/21/554757121.db2.gz USEWBTLOXBFCQF-CQSZACIVSA-N -1 1 365.393 2.226 20 0 FEADMM O=C1CNC(=O)N1Cc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000350589390 554800556 /nfs/dbraw/zinc/80/05/56/554800556.db2.gz VVFPUGWKYOGUKQ-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM COc1cc(-c2noc([C@H]3CCC(=O)NC3)n2)cc(Br)c1[O-] ZINC000350781712 554812971 /nfs/dbraw/zinc/81/29/71/554812971.db2.gz PLGYFEQXPNSJQP-ZETCQYMHSA-N -1 1 368.187 2.207 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2ccncc2)co1 ZINC000361192597 554909692 /nfs/dbraw/zinc/90/96/92/554909692.db2.gz WMQUNMVPZRMADC-UHFFFAOYSA-N -1 1 371.418 2.180 20 0 FEADMM Cc1nccc(-c2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)n1 ZINC000361657297 554928177 /nfs/dbraw/zinc/92/81/77/554928177.db2.gz IJSUNZFREPVCQI-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM CCCc1cc(=O)[n-]c(SCCNS(=O)(=O)c2ccccc2)n1 ZINC000511701863 561878554 /nfs/dbraw/zinc/87/85/54/561878554.db2.gz SKJOLRCQBRRQPY-UHFFFAOYSA-N -1 1 353.469 2.205 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)o1 ZINC000363103036 555030948 /nfs/dbraw/zinc/03/09/48/555030948.db2.gz BFIOCPOTJSWEOR-UHFFFAOYSA-N -1 1 362.367 2.042 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCCOC1 ZINC000511785161 561880473 /nfs/dbraw/zinc/88/04/73/561880473.db2.gz JDIGHOWUHZTCDI-UHFFFAOYSA-N -1 1 364.398 2.447 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)o1 ZINC000363418560 555101288 /nfs/dbraw/zinc/10/12/88/555101288.db2.gz PCEBUQUSSNEXID-QGZVFWFLSA-N -1 1 371.418 2.102 20 0 FEADMM Cc1cc(CS(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)no1 ZINC000363555951 555136169 /nfs/dbraw/zinc/13/61/69/555136169.db2.gz UYLZDAJPLBWUKO-UHFFFAOYSA-N -1 1 364.423 2.113 20 0 FEADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000511999944 561888443 /nfs/dbraw/zinc/88/84/43/561888443.db2.gz HVBRHTKFXQDIQJ-DIFFPNOSSA-N -1 1 370.409 2.189 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1cccc(OC(C)(C)C)n1)c2=O ZINC000512002104 561888589 /nfs/dbraw/zinc/88/85/89/561888589.db2.gz QJCSVKZCBMQDGD-UHFFFAOYSA-N -1 1 355.398 2.176 20 0 FEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512013386 561889122 /nfs/dbraw/zinc/88/91/22/561889122.db2.gz ZZAHFXWNILJCNM-MGPLVRAMSA-N -1 1 358.373 2.319 20 0 FEADMM COc1ccc(C[C@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000512034079 561889645 /nfs/dbraw/zinc/88/96/45/561889645.db2.gz QVBYHFSUYKTALJ-NSHDSACASA-N -1 1 370.409 2.052 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC(OCCCc3ccccc3)C1)c2=O ZINC000512166379 561894470 /nfs/dbraw/zinc/89/44/70/561894470.db2.gz SZJULFDXOGYUDT-UHFFFAOYSA-N -1 1 366.421 2.148 20 0 FEADMM COCc1ccccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000363960897 555222460 /nfs/dbraw/zinc/22/24/60/555222460.db2.gz BTRKPUXXJKMGIE-UHFFFAOYSA-N -1 1 364.405 2.468 20 0 FEADMM CCOc1cc(C(=O)N2CCOC[C@H]2c2ncon2)cc(Cl)c1[O-] ZINC000364016254 555233817 /nfs/dbraw/zinc/23/38/17/555233817.db2.gz RYCSVLJYECHABK-NSHDSACASA-N -1 1 353.762 2.041 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCN2Cc2ccccn2)c1Br ZINC000616005971 555262745 /nfs/dbraw/zinc/26/27/45/555262745.db2.gz FRBSFVBWQZJMON-LBPRGKRZSA-N -1 1 364.247 2.479 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1Br ZINC000616012239 555263537 /nfs/dbraw/zinc/26/35/37/555263537.db2.gz HYSTWTKRIBGNEK-SECBINFHSA-N -1 1 367.203 2.061 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3cccc(F)c3)no2)n[n-]1 ZINC000364309197 555288921 /nfs/dbraw/zinc/28/89/21/555288921.db2.gz ZKAMVHBUZGIDGC-QMMMGPOBSA-N -1 1 351.363 2.091 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000364452457 555316489 /nfs/dbraw/zinc/31/64/89/555316489.db2.gz ACSOOSYTOWBEAK-HNNXBMFYSA-N -1 1 358.442 2.012 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccsc3)C[C@H]2C)o1 ZINC000364636535 555359500 /nfs/dbraw/zinc/35/95/00/555359500.db2.gz LSDGVYUSRAAMIM-PWSUYJOCSA-N -1 1 354.453 2.267 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC(Cc3ccc(F)cc3F)C1)c2=O ZINC000364698656 555378143 /nfs/dbraw/zinc/37/81/43/555378143.db2.gz USMKXFJZXOBSMU-UHFFFAOYSA-N -1 1 358.348 2.267 20 0 FEADMM O=C(CNC(=O)COc1ccccc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365769 555426835 /nfs/dbraw/zinc/42/68/35/555426835.db2.gz IDTONNYMTWFGHO-UHFFFAOYSA-N -1 1 356.407 2.272 20 0 FEADMM Cn1c2ccccc2n(CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1=O ZINC000617365961 555426909 /nfs/dbraw/zinc/42/69/09/555426909.db2.gz OAKGHWUJLICGMD-UHFFFAOYSA-N -1 1 353.407 2.430 20 0 FEADMM CC(=O)c1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)o1 ZINC000365226345 555516156 /nfs/dbraw/zinc/51/61/56/555516156.db2.gz ZZHBVPCLAUGZPK-CYBMUJFWSA-N -1 1 363.736 2.307 20 0 FEADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000365960484 555711486 /nfs/dbraw/zinc/71/14/86/555711486.db2.gz CIDUEKDVAOOXMN-INIZCTEOSA-N -1 1 373.432 2.432 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000366467445 555852846 /nfs/dbraw/zinc/85/28/46/555852846.db2.gz SPGVMGMIOHPRLC-UHFFFAOYSA-N -1 1 354.391 2.032 20 0 FEADMM O=C(COc1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366709396 555915284 /nfs/dbraw/zinc/91/52/84/555915284.db2.gz IZGVUUYROFCNLM-VIFPVBQESA-N -1 1 356.213 2.292 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCn2nccc21 ZINC000367648312 556104551 /nfs/dbraw/zinc/10/45/51/556104551.db2.gz HDTBPYPQLJDYSM-UHFFFAOYSA-N -1 1 368.418 2.344 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)n[n-]1 ZINC000514956893 561988888 /nfs/dbraw/zinc/98/88/88/561988888.db2.gz XELKCAHNKRTDNK-XJFOESAGSA-N -1 1 366.462 2.388 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000514956893 561988889 /nfs/dbraw/zinc/98/88/89/561988889.db2.gz XELKCAHNKRTDNK-XJFOESAGSA-N -1 1 366.462 2.388 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000514956893 561988890 /nfs/dbraw/zinc/98/88/90/561988890.db2.gz XELKCAHNKRTDNK-XJFOESAGSA-N -1 1 366.462 2.388 20 0 FEADMM COCC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCOCC1 ZINC000368026869 556198164 /nfs/dbraw/zinc/19/81/64/556198164.db2.gz JRADRIMKPKLVRE-UHFFFAOYSA-N -1 1 351.827 2.201 20 0 FEADMM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000515030167 561992709 /nfs/dbraw/zinc/99/27/09/561992709.db2.gz FCXOGQAYGHSBCI-UHFFFAOYSA-N -1 1 369.303 2.190 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000368144348 556229181 /nfs/dbraw/zinc/22/91/81/556229181.db2.gz UOYBHPDSGOIZBP-INIZCTEOSA-N -1 1 374.400 2.395 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000368152403 556231647 /nfs/dbraw/zinc/23/16/47/556231647.db2.gz PVOBDPGMTODRDF-YPMHNXCESA-N -1 1 371.817 2.237 20 0 FEADMM CCc1nc(C(=O)[N-]c2nn3cnnc3s2)nn1-c1ccccc1Cl ZINC000623131528 556353597 /nfs/dbraw/zinc/35/35/97/556353597.db2.gz KJUAKZDUMBZNQJ-UHFFFAOYSA-N -1 1 374.817 2.235 20 0 FEADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000515632438 562017578 /nfs/dbraw/zinc/01/75/78/562017578.db2.gz WRCPBBKGSOWICP-UHFFFAOYSA-N -1 1 361.423 2.325 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369452928 556604001 /nfs/dbraw/zinc/60/40/01/556604001.db2.gz RILQXUJVKMPBPT-CHWSQXEVSA-N -1 1 351.472 2.491 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@@H](c2ccco2)N2CCCC2)s[n-]1 ZINC000516215979 562036351 /nfs/dbraw/zinc/03/63/51/562036351.db2.gz LIRVAAIUHJPOIU-RYUDHWBXSA-N -1 1 365.459 2.219 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369718069 556676773 /nfs/dbraw/zinc/67/67/73/556676773.db2.gz KSRHFEHQPWRQRL-SECBINFHSA-N -1 1 367.818 2.163 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)o1 ZINC000370252175 556822293 /nfs/dbraw/zinc/82/22/93/556822293.db2.gz OTXIZHYFOZWECQ-UHFFFAOYSA-N -1 1 357.428 2.084 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)on1 ZINC000516959075 562067476 /nfs/dbraw/zinc/06/74/76/562067476.db2.gz ODQGFYQQIKTRRK-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM O=C(c1occc1CSc1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370853370 556991350 /nfs/dbraw/zinc/99/13/50/556991350.db2.gz SENJBXWSAINAJT-AWEZNQCLSA-N -1 1 371.422 2.299 20 0 FEADMM O=C(CSc1cc(Cl)ccc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370861829 556994644 /nfs/dbraw/zinc/99/46/44/556994644.db2.gz YKMVSXSJMUOBIE-JTQLQIEISA-N -1 1 374.253 2.199 20 0 FEADMM CO[C@H](C)c1noc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1 ZINC000518161770 562105580 /nfs/dbraw/zinc/10/55/80/562105580.db2.gz ZVBYHEIKMZKYFE-SECBINFHSA-N -1 1 366.374 2.280 20 0 FEADMM CO[C@H](C)c1noc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1 ZINC000518161770 562105581 /nfs/dbraw/zinc/10/55/81/562105581.db2.gz ZVBYHEIKMZKYFE-SECBINFHSA-N -1 1 366.374 2.280 20 0 FEADMM O=C(c1ccc2[nH]nnc2c1)N1CCNC(=O)[C@H]1c1c(F)cccc1Cl ZINC000372071991 557371927 /nfs/dbraw/zinc/37/19/27/557371927.db2.gz FMUACRFJXFRXIW-OAHLLOKOSA-N -1 1 373.775 2.064 20 0 FEADMM Cc1cc(C)c(NC(=O)CNC(=O)CSc2ncc(C)c(=O)[n-]2)c(C)c1 ZINC000518797149 562118793 /nfs/dbraw/zinc/11/87/93/562118793.db2.gz KYZPFXCSEKWWCG-UHFFFAOYSA-N -1 1 374.466 2.263 20 0 FEADMM C[C@@H]1COCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000372218210 557412891 /nfs/dbraw/zinc/41/28/91/557412891.db2.gz SGDQTLDIISEPBR-VIFPVBQESA-N -1 1 361.179 2.105 20 0 FEADMM Cc1ccc([C@@]2(C)NC(=O)N(CCC(=O)c3ccc([O-])cc3O)C2=O)cc1 ZINC000519652377 562138734 /nfs/dbraw/zinc/13/87/34/562138734.db2.gz QQOYOZKXIBAYNJ-HXUWFJFHSA-N -1 1 368.389 2.446 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000372970957 557600480 /nfs/dbraw/zinc/60/04/80/557600480.db2.gz ZEGSKJATEHZTIY-UHFFFAOYSA-N -1 1 368.437 2.118 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2cc(F)ccc2C)C2CCOCC2)n1 ZINC000519839687 562146163 /nfs/dbraw/zinc/14/61/63/562146163.db2.gz KGHWNYVAOMDZQQ-OAHLLOKOSA-N -1 1 369.418 2.272 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cc(C)ccn3)CC2)n1 ZINC000373887664 557780677 /nfs/dbraw/zinc/78/06/77/557780677.db2.gz ZWXYKVXXQKHHRE-UHFFFAOYSA-N -1 1 358.402 2.096 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374746821 557924772 /nfs/dbraw/zinc/92/47/72/557924772.db2.gz GEGJXAZXYFNXGP-UHFFFAOYSA-N -1 1 374.462 2.186 20 0 FEADMM CN(C)c1noc(C2CCN(C(=O)c3c([O-])cnc4ccccc43)CC2)n1 ZINC000374904028 557948709 /nfs/dbraw/zinc/94/87/09/557948709.db2.gz RVUCUFPLEYUTAH-UHFFFAOYSA-N -1 1 367.409 2.409 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccc3c2OCCC3=O)ccc1C(=O)[O-] ZINC000375643353 558061403 /nfs/dbraw/zinc/06/14/03/558061403.db2.gz RTATWRNXQQLLNC-UHFFFAOYSA-N -1 1 361.375 2.459 20 0 FEADMM Cc1nc2c(s1)CCC[C@@H]2C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000376016337 558114142 /nfs/dbraw/zinc/11/41/42/558114142.db2.gz WRNIUQCQVIGKSI-SECBINFHSA-N -1 1 360.892 2.237 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CCC[C@]4(C3)OCc3ccccc34)ccnc1-2 ZINC000376607384 558196934 /nfs/dbraw/zinc/19/69/34/558196934.db2.gz WZULFXNXFVFXAU-YYTOJMEDSA-N -1 1 363.421 2.395 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@H](Oc4cccc(F)c4)C3)ccnc1-2 ZINC000376631071 558200354 /nfs/dbraw/zinc/20/03/54/558200354.db2.gz UFWSTDJMARPRMW-DJFNHCPNSA-N -1 1 355.373 2.166 20 0 FEADMM CCOCCO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000376938836 558241835 /nfs/dbraw/zinc/24/18/35/558241835.db2.gz FIXCUVBXTTVPFU-GOEBONIOSA-N -1 1 354.834 2.334 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)cc1 ZINC000522207609 562194199 /nfs/dbraw/zinc/19/41/99/562194199.db2.gz LKOXRACUYIZBGR-UHFFFAOYSA-N -1 1 371.361 2.490 20 0 FEADMM CCC[C@H](NC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ccccc1 ZINC000377530169 558358462 /nfs/dbraw/zinc/35/84/62/558358462.db2.gz MVQHUYJNFDLTKB-INIZCTEOSA-N -1 1 357.458 2.347 20 0 FEADMM O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1F ZINC000377631265 558381264 /nfs/dbraw/zinc/38/12/64/558381264.db2.gz ROCXNDBHKNMRKF-KBPBESRZSA-N -1 1 362.376 2.036 20 0 FEADMM O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1F ZINC000377631267 558381426 /nfs/dbraw/zinc/38/14/26/558381426.db2.gz ROCXNDBHKNMRKF-UONOGXRCSA-N -1 1 362.376 2.036 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000377647095 558386172 /nfs/dbraw/zinc/38/61/72/558386172.db2.gz LMQSDZVBAMZKIS-UHFFFAOYSA-N -1 1 358.379 2.044 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3ccncc3)cc2)o1 ZINC000377772781 558417089 /nfs/dbraw/zinc/41/70/89/558417089.db2.gz BXZQKGAGXGEGSL-UHFFFAOYSA-N -1 1 371.418 2.180 20 0 FEADMM C[N@H+]1CCC[C@H](CNC(=O)N=c2[n-]nc3ccccn32)[C@H]1c1cccs1 ZINC000377910803 558446190 /nfs/dbraw/zinc/44/61/90/558446190.db2.gz KKMMLQDUCURMGJ-CJNGLKHVSA-N -1 1 370.482 2.995 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000522930240 562206196 /nfs/dbraw/zinc/20/61/96/562206196.db2.gz YSFYBKWOAPZHOM-UHFFFAOYSA-N -1 1 363.425 2.073 20 0 FEADMM CC(=O)CCc1ccc(OCCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000522929823 562206241 /nfs/dbraw/zinc/20/62/41/562206241.db2.gz AJTGYUJASGPLDA-UHFFFAOYSA-N -1 1 371.441 2.076 20 0 FEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(O)c1 ZINC000522956792 562206544 /nfs/dbraw/zinc/20/65/44/562206544.db2.gz IXVMEYAESQKIGB-UHFFFAOYSA-N -1 1 365.363 2.068 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000378189335 558499283 /nfs/dbraw/zinc/49/92/83/558499283.db2.gz JOTJTYRVSGOZRB-UHFFFAOYSA-N -1 1 370.434 2.355 20 0 FEADMM CCc1cc2c(CN3CCOC[C@H]3c3noc(C)n3)cc(=O)oc2cc1[O-] ZINC000378538889 558578525 /nfs/dbraw/zinc/57/85/25/558578525.db2.gz ZPXRRPOCYGPVKZ-HNNXBMFYSA-N -1 1 371.393 2.326 20 0 FEADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000523727217 562218612 /nfs/dbraw/zinc/21/86/12/562218612.db2.gz ILDPCFDXNYCQAH-JOCHJYFZSA-N -1 1 351.449 2.396 20 0 FEADMM C[C@@H](CC(C)(C)O)NC(=O)c1cc(I)ccc1[O-] ZINC000384930118 558605709 /nfs/dbraw/zinc/60/57/09/558605709.db2.gz CVEHUODHRNFFMH-QMMMGPOBSA-N -1 1 363.195 2.276 20 0 FEADMM NC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000392264449 558616960 /nfs/dbraw/zinc/61/69/60/558616960.db2.gz VGAWPHJELNNSPU-UHFFFAOYSA-N -1 1 369.786 2.330 20 0 FEADMM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(Br)cc1F ZINC000398130319 558626025 /nfs/dbraw/zinc/62/60/25/558626025.db2.gz JJDRWUHWHVDBRK-UHFFFAOYSA-N -1 1 366.130 2.403 20 0 FEADMM O=C(NCCCOC(F)F)c1ccc(I)c([O-])c1 ZINC000398224473 558626045 /nfs/dbraw/zinc/62/60/45/558626045.db2.gz FQKKWBIWWVNOAI-UHFFFAOYSA-N -1 1 371.121 2.356 20 0 FEADMM CC[C@@H](O)CCCNC(=O)c1ccc(I)c([O-])c1 ZINC000398579968 558626618 /nfs/dbraw/zinc/62/66/18/558626618.db2.gz ZYPLGHATSJQHPP-SNVBAGLBSA-N -1 1 363.195 2.278 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000403536372 558630805 /nfs/dbraw/zinc/63/08/05/558630805.db2.gz BLKYGFZNVXBIAQ-SECBINFHSA-N -1 1 350.159 2.244 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC(C)(C)C2)o1 ZINC000408399886 558673609 /nfs/dbraw/zinc/67/36/09/558673609.db2.gz MAZYAWDSDLYQKH-UHFFFAOYSA-N -1 1 360.501 2.324 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)c2)n1 ZINC000409959861 558730119 /nfs/dbraw/zinc/73/01/19/558730119.db2.gz CDYCMIMBOASPOR-SLEUVZQESA-N -1 1 372.425 2.078 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)o1 ZINC000409982326 558731250 /nfs/dbraw/zinc/73/12/50/558731250.db2.gz UFXQGIXLIKHHIU-UHFFFAOYSA-N -1 1 366.439 2.035 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000410291538 558750233 /nfs/dbraw/zinc/75/02/33/558750233.db2.gz YWOQUQFSLKZODK-WDEREUQCSA-N -1 1 366.343 2.839 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N3CC[C@H](C)C3)c2)n1 ZINC000410427513 558756675 /nfs/dbraw/zinc/75/66/75/558756675.db2.gz PIXCKSOCAFRSGM-LBPRGKRZSA-N -1 1 357.414 2.200 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)(C)COC)c1 ZINC000411209273 558853707 /nfs/dbraw/zinc/85/37/07/558853707.db2.gz RPVKMJKXCAATRR-UHFFFAOYSA-N -1 1 372.487 2.424 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c1C ZINC000525532804 562249940 /nfs/dbraw/zinc/24/99/40/562249940.db2.gz GFHMBZXMPSMXGS-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC(C)(C)COC)c2)n1 ZINC000412297688 559025670 /nfs/dbraw/zinc/02/56/70/559025670.db2.gz DSDWKSJKEWYJBJ-UHFFFAOYSA-N -1 1 374.441 2.327 20 0 FEADMM CCC1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000412430986 559035060 /nfs/dbraw/zinc/03/50/60/559035060.db2.gz WBFFBNBKQOEHMT-UHFFFAOYSA-N -1 1 351.255 2.140 20 0 FEADMM CC(C)(CCNC(=O)c1ccc(Br)cc1[O-])S(C)(=O)=O ZINC000412643307 559048194 /nfs/dbraw/zinc/04/81/94/559048194.db2.gz YDUUYHGUQHHUKF-UHFFFAOYSA-N -1 1 364.261 2.098 20 0 FEADMM C[C@@H]1C[C@H](O)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000412770928 559055344 /nfs/dbraw/zinc/05/53/44/559055344.db2.gz VPOSMUKKOUWJNC-PBHICJAKSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)sc1C ZINC000526943867 562270201 /nfs/dbraw/zinc/27/02/01/562270201.db2.gz DPPQXFAYZCIRDN-CQSZACIVSA-N -1 1 371.528 2.362 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000413679690 559124432 /nfs/dbraw/zinc/12/44/32/559124432.db2.gz ZXNVLOFUKOLEHH-SECBINFHSA-N -1 1 360.407 2.114 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CS[C@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000413735795 559127897 /nfs/dbraw/zinc/12/78/97/559127897.db2.gz XWGBBBITFFPDSV-KOLCDFICSA-N -1 1 359.473 2.082 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](O)C(C)C ZINC000413979716 559144911 /nfs/dbraw/zinc/14/49/11/559144911.db2.gz QTGIAKDEQVNQNB-SJLPKXTDSA-N -1 1 372.469 2.397 20 0 FEADMM CC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](O)C(C)C ZINC000413979712 559144935 /nfs/dbraw/zinc/14/49/35/559144935.db2.gz QTGIAKDEQVNQNB-FUHWJXTLSA-N -1 1 372.469 2.397 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2N2CCOCC2)cc1 ZINC000414391662 559160901 /nfs/dbraw/zinc/16/09/01/559160901.db2.gz DESATDCQHRWQCG-UHFFFAOYSA-N -1 1 366.414 2.472 20 0 FEADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccnc(OC)c3)cc2)CC1 ZINC000414456874 559165292 /nfs/dbraw/zinc/16/52/92/559165292.db2.gz UZDOFGOMBNKPTA-UHFFFAOYSA-N -1 1 362.407 2.096 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)cc1 ZINC000414467871 559166463 /nfs/dbraw/zinc/16/64/63/559166463.db2.gz FGPBGQNKNYVYNA-UHFFFAOYSA-N -1 1 360.233 2.428 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccccc2OC(F)(F)F)C1=O ZINC000414654672 559177335 /nfs/dbraw/zinc/17/73/35/559177335.db2.gz ITEPFPZOKXIWOA-JSGCOSHPSA-N -1 1 374.359 2.385 20 0 FEADMM C[C@H](Oc1cnc2ccccc2c1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000527164079 562278715 /nfs/dbraw/zinc/27/87/15/562278715.db2.gz XKGATMYUURSNOP-LBPRGKRZSA-N -1 1 352.398 2.101 20 0 FEADMM CCC1(Cc2ccccc2)CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1 ZINC000527274152 562283418 /nfs/dbraw/zinc/28/34/18/562283418.db2.gz DHOGTQMJTRKQFB-UHFFFAOYSA-N -1 1 365.437 2.293 20 0 FEADMM COc1ccc2oc([C@@H](C)NC(=O)c3[nH]c(=O)[n-]c(=O)c3OC)c(C)c2c1 ZINC000416149089 559294523 /nfs/dbraw/zinc/29/45/23/559294523.db2.gz GBAHWZXGSVOYIC-SECBINFHSA-N -1 1 373.365 2.451 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](CC(C)C)OC)c1 ZINC000416197719 559297915 /nfs/dbraw/zinc/29/79/15/559297915.db2.gz YIHNMEVWQHRONX-INIZCTEOSA-N -1 1 372.487 2.422 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000416245021 559300917 /nfs/dbraw/zinc/30/09/17/559300917.db2.gz RTRHNQBVCXFPDF-INIZCTEOSA-N -1 1 367.764 2.261 20 0 FEADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C12CCC2 ZINC000416558047 559321614 /nfs/dbraw/zinc/32/16/14/559321614.db2.gz IAORCKXKTZBSFP-IUCAKERBSA-N -1 1 350.234 2.278 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c(C(F)(F)F)n1 ZINC000416652653 559327698 /nfs/dbraw/zinc/32/76/98/559327698.db2.gz FJDZFEBSBOMGPK-NSHDSACASA-N -1 1 369.409 2.049 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416656208 559328017 /nfs/dbraw/zinc/32/80/17/559328017.db2.gz XEDUUWBXPUCJMR-LBPRGKRZSA-N -1 1 357.382 2.239 20 0 FEADMM O=C([O-])[C@@H]1CC(=O)N(CCNCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000417617007 559369480 /nfs/dbraw/zinc/36/94/80/559369480.db2.gz BKQPENJSCMBLMK-SNVBAGLBSA-N -1 1 364.751 2.382 20 0 FEADMM Cc1cccc2nc(CCC(=O)N3CCCC[C@H]3c3n[nH]c(=O)[n-]3)[nH]c21 ZINC000420091386 559472170 /nfs/dbraw/zinc/47/21/70/559472170.db2.gz GSLABRDJROOXID-ZDUSSCGKSA-N -1 1 354.414 2.381 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1)OC ZINC000420693358 559498466 /nfs/dbraw/zinc/49/84/66/559498466.db2.gz UDQDNTXOKPBYTO-KBPBESRZSA-N -1 1 373.862 2.465 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)o1 ZINC000420704624 559499293 /nfs/dbraw/zinc/49/92/93/559499293.db2.gz JDQCCDKNFVVKSZ-NSHDSACASA-N -1 1 359.469 2.268 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420709116 559499634 /nfs/dbraw/zinc/49/96/34/559499634.db2.gz ZDOUCCUJILFNQX-INIZCTEOSA-N -1 1 353.419 2.490 20 0 FEADMM CC[C@H]1C[C@@H](NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000421056776 559522147 /nfs/dbraw/zinc/52/21/47/559522147.db2.gz KUAHCUOALLRZHD-STQMWFEESA-N -1 1 371.459 2.146 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000421147549 559526785 /nfs/dbraw/zinc/52/67/85/559526785.db2.gz CKNZAMBMJXKPOA-MRXNPFEDSA-N -1 1 354.472 2.382 20 0 FEADMM COCc1cc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cc(C(=O)OC)c1 ZINC000421167449 559528221 /nfs/dbraw/zinc/52/82/21/559528221.db2.gz UIHLMHPNNMFCOB-INIZCTEOSA-N -1 1 373.471 2.422 20 0 FEADMM CC[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000421664840 559548879 /nfs/dbraw/zinc/54/88/79/559548879.db2.gz RMUVZOLWGAIPEW-NWDGAFQWSA-N -1 1 358.460 2.044 20 0 FEADMM Cc1cc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc(C)n1 ZINC000421913217 559556244 /nfs/dbraw/zinc/55/62/44/559556244.db2.gz FCSXJEULUQLQRD-UHFFFAOYSA-N -1 1 353.426 2.313 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000421919889 559556641 /nfs/dbraw/zinc/55/66/41/559556641.db2.gz MIILQQFBVMCXJP-SFHVURJKSA-N -1 1 361.373 2.273 20 0 FEADMM COC1([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)CCOCC1 ZINC000422074005 559563857 /nfs/dbraw/zinc/56/38/57/559563857.db2.gz GYYPEYNRPPQHBA-SNVBAGLBSA-N -1 1 358.232 2.469 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCN2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000425141558 559688406 /nfs/dbraw/zinc/68/84/06/559688406.db2.gz JFLXEKSZELHHDO-STQMWFEESA-N -1 1 362.442 2.051 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(c3ccccn3)C2)c(F)c1 ZINC000425164467 559689158 /nfs/dbraw/zinc/68/91/58/559689158.db2.gz FHUMUJOUPJSFEO-LBPRGKRZSA-N -1 1 353.394 2.225 20 0 FEADMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)C1(C)C ZINC000425175309 559689516 /nfs/dbraw/zinc/68/95/16/559689516.db2.gz IHRAXYRPOYLMOU-CZUORRHYSA-N -1 1 363.426 2.118 20 0 FEADMM Cc1cc(C)c2ncc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)c(O)c2c1 ZINC000425292708 559695014 /nfs/dbraw/zinc/69/50/14/559695014.db2.gz ARQZLQOOCKZEON-LBPRGKRZSA-N -1 1 368.393 2.253 20 0 FEADMM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425295032 559695175 /nfs/dbraw/zinc/69/51/75/559695175.db2.gz FFTANKXWOSRSBU-LSDHHAIUSA-N -1 1 367.409 2.427 20 0 FEADMM O=C(C[C@H]1CSc2ccccc2O1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300981 559695468 /nfs/dbraw/zinc/69/54/68/559695468.db2.gz LUHWJESBLYECTC-NEPJUHHUSA-N -1 1 361.423 2.425 20 0 FEADMM O=C(c1ccn(CCc2ccccc2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425304603 559695829 /nfs/dbraw/zinc/69/58/29/559695829.db2.gz QAZNNRRXXZYOMU-OAHLLOKOSA-N -1 1 367.409 2.234 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)CNC(=O)c1ncccc1[O-] ZINC000426956745 559744761 /nfs/dbraw/zinc/74/47/61/559744761.db2.gz PPZNPSHQSYQTAS-YCPHGPKFSA-N -1 1 353.422 2.310 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@H](C)c2ccc(Br)cc2)n1 ZINC000427046401 559746333 /nfs/dbraw/zinc/74/63/33/559746333.db2.gz PFLLYRWDLMAMKF-MRVPVSSYSA-N -1 1 373.228 2.494 20 0 FEADMM COC(=O)c1ccc(N2CCN(C(=O)c3ncc(C)cc3[O-])[C@@H](C)C2)cc1 ZINC000427129058 559748565 /nfs/dbraw/zinc/74/85/65/559748565.db2.gz SRUGYNZGJMKSAY-AWEZNQCLSA-N -1 1 369.421 2.233 20 0 FEADMM Cc1cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)cc(C)c1Br ZINC000427795793 559762788 /nfs/dbraw/zinc/76/27/88/559762788.db2.gz HROCSSRNSDPSBL-UHFFFAOYSA-N -1 1 362.187 2.049 20 0 FEADMM COC(=O)c1[n-]c(=NCc2c(OC)cc(OC)cc2OC)sc1C ZINC000427984808 559766915 /nfs/dbraw/zinc/76/69/15/559766915.db2.gz QYKMORRJCINVLY-UHFFFAOYSA-N -1 1 352.412 2.876 20 0 FEADMM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CO)CC(F)F)s1 ZINC000428423830 559775362 /nfs/dbraw/zinc/77/53/62/559775362.db2.gz QENJZHYTTVGOST-ZCFIWIBFSA-N -1 1 364.233 2.113 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000428620958 559779827 /nfs/dbraw/zinc/77/98/27/559779827.db2.gz QHVMYQPYOPBCQT-IAGOWNOFSA-N -1 1 370.453 2.247 20 0 FEADMM Cn1[nH]cnc1=NC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1[O-] ZINC000430624126 559825200 /nfs/dbraw/zinc/82/52/00/559825200.db2.gz IEPGBIBEEFEQRO-UHFFFAOYSA-N -1 1 361.361 2.123 20 0 FEADMM NC(=O)c1csc(=N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)[n-]1 ZINC000432179701 559853489 /nfs/dbraw/zinc/85/34/89/559853489.db2.gz RORQRUZOARZRBP-VIFPVBQESA-N -1 1 356.373 2.952 20 0 FEADMM NC(=O)c1csc(=N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)[n-]1 ZINC000432179700 559853588 /nfs/dbraw/zinc/85/35/88/559853588.db2.gz RORQRUZOARZRBP-SECBINFHSA-N -1 1 356.373 2.952 20 0 FEADMM C[C@H](CN=c1[n-]c(C(N)=O)cs1)Oc1cccc(Br)c1 ZINC000432317022 559856275 /nfs/dbraw/zinc/85/62/75/559856275.db2.gz DDEHWOXVPVGZRV-MRVPVSSYSA-N -1 1 356.245 2.884 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NCCCCNc2ccccn2)[n-]n1 ZINC000432344418 559856975 /nfs/dbraw/zinc/85/69/75/559856975.db2.gz AYKHBWVANLFZQP-UHFFFAOYSA-N -1 1 354.458 2.848 20 0 FEADMM COc1ccc(NC(=O)CCc2cncs2)cc1[N-]S(C)(=O)=O ZINC000432391381 559857873 /nfs/dbraw/zinc/85/78/73/559857873.db2.gz KFVRQRUQTKTNRS-UHFFFAOYSA-N -1 1 355.441 2.095 20 0 FEADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000432641804 559862329 /nfs/dbraw/zinc/86/23/29/559862329.db2.gz KKCWDZNYSZBZHG-UHFFFAOYSA-N -1 1 362.432 2.299 20 0 FEADMM CCOCCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000433782551 559887753 /nfs/dbraw/zinc/88/77/53/559887753.db2.gz KXPQKBAYZZTILQ-UHFFFAOYSA-N -1 1 371.409 2.999 20 0 FEADMM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000435223782 559918177 /nfs/dbraw/zinc/91/81/77/559918177.db2.gz AQYYZCYDBPIJRU-UHFFFAOYSA-N -1 1 353.469 2.239 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435442616 559923164 /nfs/dbraw/zinc/92/31/64/559923164.db2.gz LWURELRBWGAYOM-VXNVDRBHSA-N -1 1 369.245 2.455 20 0 FEADMM CC(=O)Nc1ccccc1C=C([O-])Nc1nc(-c2cccnc2)ns1 ZINC000436043046 559934182 /nfs/dbraw/zinc/93/41/82/559934182.db2.gz SUFAUYMRFUYRDJ-UHFFFAOYSA-N -1 1 353.407 2.162 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1F ZINC000436154588 559936374 /nfs/dbraw/zinc/93/63/74/559936374.db2.gz ROCVTIRBFPHEJP-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2csc(N(CCOC)C(C)=O)n2)n1 ZINC000436210117 559937711 /nfs/dbraw/zinc/93/77/11/559937711.db2.gz MSYSDCJGJCKRNL-UHFFFAOYSA-N -1 1 368.484 2.493 20 0 FEADMM O=c1[nH]cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)s1 ZINC000436478400 559942720 /nfs/dbraw/zinc/94/27/20/559942720.db2.gz QCJGPEYUKRCVIR-UHFFFAOYSA-N -1 1 356.816 2.489 20 0 FEADMM COC(=O)c1cn(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)nn1 ZINC000436493670 559943085 /nfs/dbraw/zinc/94/30/85/559943085.db2.gz QSKPVQJZUSNBGB-UHFFFAOYSA-N -1 1 356.313 2.151 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000436512570 559943819 /nfs/dbraw/zinc/94/38/19/559943819.db2.gz YCEXQPBZNHJNOU-UHFFFAOYSA-N -1 1 370.361 2.081 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c1 ZINC000436512271 559943903 /nfs/dbraw/zinc/94/39/03/559943903.db2.gz JFSVSUJGCIJHFN-LBPRGKRZSA-N -1 1 356.378 2.244 20 0 FEADMM CCSc1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])ccn1 ZINC000436617368 559946724 /nfs/dbraw/zinc/94/67/24/559946724.db2.gz KMJHGDQHYIANQQ-UHFFFAOYSA-N -1 1 367.452 2.060 20 0 FEADMM O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000436638440 559947370 /nfs/dbraw/zinc/94/73/70/559947370.db2.gz DUNJFCCLFGZZHI-CYBMUJFWSA-N -1 1 369.295 2.323 20 0 FEADMM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436639757 559947378 /nfs/dbraw/zinc/94/73/78/559947378.db2.gz MMJKIZIRCCGEAQ-CQSZACIVSA-N -1 1 354.406 2.253 20 0 FEADMM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1ccc(O)cc1[O-] ZINC000436695363 559948910 /nfs/dbraw/zinc/94/89/10/559948910.db2.gz DHINDNWXQOGMMD-UHFFFAOYSA-N -1 1 350.321 2.465 20 0 FEADMM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1N1CCCS1(=O)=O ZINC000436696873 559949095 /nfs/dbraw/zinc/94/90/95/559949095.db2.gz IFIJEDSZDIXUDM-UHFFFAOYSA-N -1 1 374.418 2.062 20 0 FEADMM COC(=O)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)c(F)c1 ZINC000436706298 559949318 /nfs/dbraw/zinc/94/93/18/559949318.db2.gz MCPTWSVENHHRPF-CQSZACIVSA-N -1 1 365.744 2.398 20 0 FEADMM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cc(Br)ccc1[O-] ZINC000436715132 559949899 /nfs/dbraw/zinc/94/98/99/559949899.db2.gz OJDRFPJSDBPQMI-GWCFXTLKSA-N -1 1 360.248 2.043 20 0 FEADMM O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000436730612 559950156 /nfs/dbraw/zinc/95/01/56/559950156.db2.gz XKUOAFZEPOMAJI-ZDUSSCGKSA-N -1 1 361.195 2.300 20 0 FEADMM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436769430 559951485 /nfs/dbraw/zinc/95/14/85/559951485.db2.gz NUNYVSOYZQDVRW-UHFFFAOYSA-N -1 1 362.332 2.340 20 0 FEADMM NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436778885 559951721 /nfs/dbraw/zinc/95/17/21/559951721.db2.gz UMPSWYVPVAOTKT-ZDUSSCGKSA-N -1 1 352.312 2.237 20 0 FEADMM Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000436887244 559955412 /nfs/dbraw/zinc/95/54/12/559955412.db2.gz WFBLLNQEYHHNPZ-KBPBESRZSA-N -1 1 366.824 2.122 20 0 FEADMM CN(CCN(C)C(=O)c1cc(Br)ccc1[O-])CC(F)F ZINC000436915568 559956213 /nfs/dbraw/zinc/95/62/13/559956213.db2.gz OYHBVVRGUJTEFB-UHFFFAOYSA-N -1 1 351.191 2.424 20 0 FEADMM Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)n1 ZINC000436942302 559957089 /nfs/dbraw/zinc/95/70/89/559957089.db2.gz VEKNMMIOCKLCIS-UHFFFAOYSA-N -1 1 350.378 2.470 20 0 FEADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000436981132 559958318 /nfs/dbraw/zinc/95/83/18/559958318.db2.gz PUIIHCTUAUKAKN-AWEZNQCLSA-N -1 1 352.387 2.060 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)c([O-])c1 ZINC000436987362 559958687 /nfs/dbraw/zinc/95/86/87/559958687.db2.gz HSONINNJWBZDKU-UHFFFAOYSA-N -1 1 353.382 2.300 20 0 FEADMM Cc1oc(C(N)=O)cc1-c1csc(NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000437006990 559959400 /nfs/dbraw/zinc/95/94/00/559959400.db2.gz ZFOWSUQPBOSOEU-UHFFFAOYSA-N -1 1 371.374 2.337 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)n(-c2ccncc2)n1 ZINC000437341568 559963552 /nfs/dbraw/zinc/96/35/52/559963552.db2.gz NAWDPRNSRYAZKQ-UHFFFAOYSA-N -1 1 372.406 2.148 20 0 FEADMM COc1ccccc1CCNC(=O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000437747008 559968950 /nfs/dbraw/zinc/96/89/50/559968950.db2.gz NRKCDDHRDISNSK-UHFFFAOYSA-N -1 1 362.813 2.143 20 0 FEADMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cnc2c(cnn2C)c1O ZINC000437918749 559971455 /nfs/dbraw/zinc/97/14/55/559971455.db2.gz RYLRYUYYGHBXRD-UHFFFAOYSA-N -1 1 368.397 2.328 20 0 FEADMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cnc2n(C)[nH]cc-2c1=O ZINC000437918749 559971457 /nfs/dbraw/zinc/97/14/57/559971457.db2.gz RYLRYUYYGHBXRD-UHFFFAOYSA-N -1 1 368.397 2.328 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CCCC[C@H]2OC)ccc1[N-]S(C)(=O)=O ZINC000438046516 559973339 /nfs/dbraw/zinc/97/33/39/559973339.db2.gz DBBLPFULVNSREQ-GXTWGEPZSA-N -1 1 371.459 2.146 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCc3ncsc3C2)c(=O)[n-]1 ZINC000438677883 559981918 /nfs/dbraw/zinc/98/19/18/559981918.db2.gz JIJLUEFZUFSXGB-UHFFFAOYSA-N -1 1 350.469 2.187 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ncsc3C2)o1 ZINC000438680388 559982096 /nfs/dbraw/zinc/98/20/96/559982096.db2.gz OAJPPBAVTLVUMU-UHFFFAOYSA-N -1 1 369.468 2.011 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2ncsc2C1 ZINC000438680017 559982133 /nfs/dbraw/zinc/98/21/33/559982133.db2.gz CMJWNEXGIFPTHA-UHFFFAOYSA-N -1 1 367.434 2.137 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c1 ZINC000438765792 559983281 /nfs/dbraw/zinc/98/32/81/559983281.db2.gz KFOMUSDJCAXQJG-HSZRJFAPSA-N -1 1 367.448 2.402 20 0 FEADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2O1 ZINC000442837829 560059232 /nfs/dbraw/zinc/05/92/32/560059232.db2.gz QWHBLNXQAJDEKF-QGZVFWFLSA-N -1 1 362.407 2.484 20 0 FEADMM COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc(Cl)c1[O-] ZINC000442855188 560059819 /nfs/dbraw/zinc/05/98/19/560059819.db2.gz MKOWJMJGCUFSGU-UHFFFAOYSA-N -1 1 356.787 2.105 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000443100606 560070805 /nfs/dbraw/zinc/07/08/05/560070805.db2.gz AYBRIDFXBKZTGG-CHWSQXEVSA-N -1 1 372.462 2.154 20 0 FEADMM COc1cc(C(=O)Nc2cccc(C(N)=O)c2OC)cc(Cl)c1[O-] ZINC000443109589 560070849 /nfs/dbraw/zinc/07/08/49/560070849.db2.gz MKTFCEDBBSIDNA-UHFFFAOYSA-N -1 1 350.758 2.414 20 0 FEADMM CCOC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCCOC1 ZINC000443111999 560071165 /nfs/dbraw/zinc/07/11/65/560071165.db2.gz RJFVLFKVGZKCDB-QMTHXVAHSA-N -1 1 371.817 2.142 20 0 FEADMM CC(=O)N1CCN(Cc2ccccc2NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000444345525 560110383 /nfs/dbraw/zinc/11/03/83/560110383.db2.gz RWXAAHXARLZANS-UHFFFAOYSA-N -1 1 369.421 2.014 20 0 FEADMM Cc1nc2ncnn2c(C)c1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445457862 560132327 /nfs/dbraw/zinc/13/23/27/560132327.db2.gz UJJFVXODYIOFKL-UHFFFAOYSA-N -1 1 354.345 2.421 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1F ZINC000446145600 560140604 /nfs/dbraw/zinc/14/06/04/560140604.db2.gz MQPVXAGTOLOUIX-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)oc1C ZINC000446649268 560149046 /nfs/dbraw/zinc/14/90/46/560149046.db2.gz SSHLAAAKTOHSOP-UHFFFAOYSA-N -1 1 365.367 2.467 20 0 FEADMM COc1ccc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)c(F)c1 ZINC000446960932 560154281 /nfs/dbraw/zinc/15/42/81/560154281.db2.gz SAHSMYNVQZCTRF-GFCCVEGCSA-N -1 1 367.324 2.150 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCSc3ccccc32)c1 ZINC000447339843 560160577 /nfs/dbraw/zinc/16/05/77/560160577.db2.gz IEFDZGWLRQSJTF-UHFFFAOYSA-N -1 1 351.405 2.391 20 0 FEADMM Cc1cccc(NC(=O)[C@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1 ZINC000447478648 560162925 /nfs/dbraw/zinc/16/29/25/560162925.db2.gz GBHPTISEZXXSMP-NSHDSACASA-N -1 1 350.444 2.212 20 0 FEADMM Cc1cccc(NC(=O)[C@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c1 ZINC000447478648 560162926 /nfs/dbraw/zinc/16/29/26/560162926.db2.gz GBHPTISEZXXSMP-NSHDSACASA-N -1 1 350.444 2.212 20 0 FEADMM C[C@H](C(=O)N1CCCCC1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447490034 560163122 /nfs/dbraw/zinc/16/31/22/560163122.db2.gz LFTABKBTDMSRHC-GFCCVEGCSA-N -1 1 365.430 2.391 20 0 FEADMM C[C@H](C(=O)N1CCCCC1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447490034 560163123 /nfs/dbraw/zinc/16/31/23/560163123.db2.gz LFTABKBTDMSRHC-GFCCVEGCSA-N -1 1 365.430 2.391 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(C)o3)c2)n1 ZINC000447667640 560166344 /nfs/dbraw/zinc/16/63/44/560166344.db2.gz FHISUROGLDJNEO-UHFFFAOYSA-N -1 1 354.366 2.480 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccncc3F)c2)n1 ZINC000447674216 560166532 /nfs/dbraw/zinc/16/65/32/560166532.db2.gz AJPQAYNFNHLQJF-UHFFFAOYSA-N -1 1 369.356 2.113 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CC[C@@H](CC)O3)c2)n1 ZINC000447678113 560166805 /nfs/dbraw/zinc/16/68/05/560166805.db2.gz JDQTYKILSSYBLZ-CABCVRRESA-N -1 1 372.425 2.222 20 0 FEADMM Cc1noc(C[N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000447872171 560171698 /nfs/dbraw/zinc/17/16/98/560171698.db2.gz DCZAKAGEPUKETI-UHFFFAOYSA-N -1 1 367.818 2.004 20 0 FEADMM CCC(=O)N1CC[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000450701657 560270790 /nfs/dbraw/zinc/27/07/90/560270790.db2.gz XGWIOOSTLLSQDE-JTQLQIEISA-N -1 1 363.805 2.028 20 0 FEADMM CCC(=O)N1CC[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000450701657 560270791 /nfs/dbraw/zinc/27/07/91/560270791.db2.gz XGWIOOSTLLSQDE-JTQLQIEISA-N -1 1 363.805 2.028 20 0 FEADMM CC(C)[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1CCOCC1 ZINC000451020149 560282629 /nfs/dbraw/zinc/28/26/29/560282629.db2.gz VMWPPHHHMJVKTF-HNNXBMFYSA-N -1 1 370.446 2.207 20 0 FEADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000451111108 560287758 /nfs/dbraw/zinc/28/77/58/560287758.db2.gz DFWLLULYZHCFML-UHFFFAOYSA-N -1 1 372.834 2.095 20 0 FEADMM CCCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451123310 560288417 /nfs/dbraw/zinc/28/84/17/560288417.db2.gz CXYGYVQVZKQEOA-UHFFFAOYSA-N -1 1 366.480 2.398 20 0 FEADMM CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451276442 560297657 /nfs/dbraw/zinc/29/76/57/560297657.db2.gz ZEOZQQRBYFBEJW-UHFFFAOYSA-N -1 1 363.432 2.064 20 0 FEADMM CCC[C@@H](OC)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000451283550 560298195 /nfs/dbraw/zinc/29/81/95/560298195.db2.gz GCCQQYNDJZROAT-CQSZACIVSA-N -1 1 360.414 2.080 20 0 FEADMM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451338563 560301143 /nfs/dbraw/zinc/30/11/43/560301143.db2.gz HOQSCJZZCIZYGF-MRVPVSSYSA-N -1 1 367.901 2.266 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1(COC)CC1)c1ccc(Cl)cc1 ZINC000451488797 560310036 /nfs/dbraw/zinc/31/00/36/560310036.db2.gz GUGPCPJXKLXRMS-ZDUSSCGKSA-N -1 1 361.847 2.043 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(F)F ZINC000451625639 560317877 /nfs/dbraw/zinc/31/78/77/560317877.db2.gz QPJSIVHORZMKGS-STQMWFEESA-N -1 1 352.447 2.131 20 0 FEADMM O=S(=O)([N-]C1(CF)CCOCC1)c1cc(Br)ccc1F ZINC000451739820 560325920 /nfs/dbraw/zinc/32/59/20/560325920.db2.gz VKWKIUJJKHYBBK-UHFFFAOYSA-N -1 1 370.215 2.385 20 0 FEADMM CC(C)([N-]S(=O)(=O)c1c(F)cccc1F)c1nnc2n1CCCC2 ZINC000451780447 560328099 /nfs/dbraw/zinc/32/80/99/560328099.db2.gz HCLGEBMDXISBLM-UHFFFAOYSA-N -1 1 356.398 2.106 20 0 FEADMM Cc1ccc(Cc2n[n-]c(=NC(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)cc1 ZINC000454764189 560457258 /nfs/dbraw/zinc/45/72/58/560457258.db2.gz ZYPOKECPIFHEEV-OKILXGFUSA-N -1 1 359.499 2.994 20 0 FEADMM CC[C@@H](C)N1CCN(C(=O)N=c2[n-]nc(CC(F)(F)F)s2)CC1 ZINC000454990270 560466455 /nfs/dbraw/zinc/46/64/55/560466455.db2.gz YGYDWPAEXBKYST-SECBINFHSA-N -1 1 351.398 2.591 20 0 FEADMM CC(F)(F)c1ccccc1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000455779435 560494630 /nfs/dbraw/zinc/49/46/30/560494630.db2.gz XDHWBNSDUHSGAK-UHFFFAOYSA-N -1 1 368.413 2.586 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456375761 560518145 /nfs/dbraw/zinc/51/81/45/560518145.db2.gz KGKOMTGYZKHXHK-CQSZACIVSA-N -1 1 357.801 2.438 20 0 FEADMM O=C(NCCC1(CO)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000456419901 560520078 /nfs/dbraw/zinc/52/00/78/560520078.db2.gz XOJPFBJCWBMWTM-UHFFFAOYSA-N -1 1 374.462 2.380 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000456788126 560532957 /nfs/dbraw/zinc/53/29/57/560532957.db2.gz QVYVRGNBYXHGKF-RYUDHWBXSA-N -1 1 366.364 2.050 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@]3(C)CCCCO3)c2)n1 ZINC000457762073 560586216 /nfs/dbraw/zinc/58/62/16/560586216.db2.gz JKMAFJCZGDKOJU-LJQANCHMSA-N -1 1 372.425 2.224 20 0 FEADMM COC(=O)C1(c2ccccc2)CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000460194501 560737663 /nfs/dbraw/zinc/73/76/63/560737663.db2.gz DZLHETLJKMFORV-UHFFFAOYSA-N -1 1 354.406 2.443 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1 ZINC000460439202 560743688 /nfs/dbraw/zinc/74/36/88/560743688.db2.gz UBYGLIPHODDJJV-UHFFFAOYSA-N -1 1 371.422 2.051 20 0 FEADMM CN(C)Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)s2)no1 ZINC000460539113 560745910 /nfs/dbraw/zinc/74/59/10/560745910.db2.gz MPFMRUAVUUKCDS-UHFFFAOYSA-N -1 1 364.880 2.060 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@H](C)C2(F)F)c1 ZINC000460991760 560758555 /nfs/dbraw/zinc/75/85/55/560758555.db2.gz LEMPUVRFQJVSDB-ZANVPECISA-N -1 1 362.398 2.262 20 0 FEADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2nn1C ZINC000461330684 560766878 /nfs/dbraw/zinc/76/68/78/560766878.db2.gz DTFOALMOJVOHLM-UHFFFAOYSA-N -1 1 370.434 2.201 20 0 FEADMM CCC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccn1 ZINC000461459219 560772126 /nfs/dbraw/zinc/77/21/26/560772126.db2.gz APESILZJEPRISV-CYBMUJFWSA-N -1 1 363.439 2.218 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000461454662 560772202 /nfs/dbraw/zinc/77/22/02/560772202.db2.gz VPENKUGNYNJTME-UONOGXRCSA-N -1 1 364.398 2.182 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](SC)c2ccccc2)c1 ZINC000461459632 560772368 /nfs/dbraw/zinc/77/23/68/560772368.db2.gz CXBXEHBJSSUMDE-HNNXBMFYSA-N -1 1 366.464 2.343 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](c2cccnc2)C(C)C)c1 ZINC000461465582 560772819 /nfs/dbraw/zinc/77/28/19/560772819.db2.gz TZSRBELPNNOWMD-MRXNPFEDSA-N -1 1 363.439 2.074 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000461463472 560772898 /nfs/dbraw/zinc/77/28/98/560772898.db2.gz GBTDBRZWEIIHNG-UHFFFAOYSA-N -1 1 371.418 2.343 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000461465706 560772953 /nfs/dbraw/zinc/77/29/53/560772953.db2.gz PQZGYOYYXVONKR-NSHDSACASA-N -1 1 366.414 2.257 20 0 FEADMM Cn1c(=O)n(C)c2cc(NC(=O)C(=O)c3ccc(Cl)s3)c([O-])cc21 ZINC000461624212 560777654 /nfs/dbraw/zinc/77/76/54/560777654.db2.gz BARWOMZNMKAHNA-UHFFFAOYSA-N -1 1 365.798 2.119 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)cc1 ZINC000462098079 560796868 /nfs/dbraw/zinc/79/68/68/560796868.db2.gz BUQUNVYFMSKWFC-UHFFFAOYSA-N -1 1 363.439 2.173 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1 ZINC000462100524 560797087 /nfs/dbraw/zinc/79/70/87/560797087.db2.gz HJODSERGIOZTHJ-HSZRJFAPSA-N -1 1 366.464 2.208 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)o1 ZINC000463866102 560827357 /nfs/dbraw/zinc/82/73/57/560827357.db2.gz PFWPKZNDOKNSKC-OLZOCXBDSA-N -1 1 359.444 2.327 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCOCC2)C1)c1c(F)cccc1Cl ZINC000464196822 560835508 /nfs/dbraw/zinc/83/55/08/560835508.db2.gz GGKUPNNBDCFORL-LLVKDONJSA-N -1 1 363.838 2.486 20 0 FEADMM Cc1ccc(O)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000464842285 560853032 /nfs/dbraw/zinc/85/30/32/560853032.db2.gz FZTGHMJLLFDPRI-UHFFFAOYSA-N -1 1 351.380 2.273 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCCC(=O)OC(C)(C)C)c(=O)[n-]1 ZINC000465277621 560861814 /nfs/dbraw/zinc/86/18/14/560861814.db2.gz QQSHWNYAVYSOKM-UHFFFAOYSA-N -1 1 369.487 2.383 20 0 FEADMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000466742582 560894146 /nfs/dbraw/zinc/89/41/46/560894146.db2.gz YSAHFPYJZMDSIQ-GFCCVEGCSA-N -1 1 374.256 2.232 20 0 FEADMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000467864447 560919053 /nfs/dbraw/zinc/91/90/53/560919053.db2.gz BEUTYZWABKYVIU-HOCLYGCPSA-N -1 1 353.422 2.312 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc(C)cc(C)c1 ZINC000469013630 560944780 /nfs/dbraw/zinc/94/47/80/560944780.db2.gz RXVZAHHPTZQNFJ-HZPDHXFCSA-N -1 1 355.456 2.006 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccccc1OCc1ccc(F)cc1 ZINC000470972607 560995495 /nfs/dbraw/zinc/99/54/95/560995495.db2.gz YHKTUHFSCKTICR-UHFFFAOYSA-N -1 1 353.357 2.337 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000470977728 560995708 /nfs/dbraw/zinc/99/57/08/560995708.db2.gz WPFVRSXQKKCIBR-UHFFFAOYSA-N -1 1 365.166 2.002 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000471123377 560998658 /nfs/dbraw/zinc/99/86/58/560998658.db2.gz FTUKOHVTHQQMOO-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000471597655 561008228 /nfs/dbraw/zinc/00/82/28/561008228.db2.gz QKBQKPUDQNBDIR-UHFFFAOYSA-N -1 1 353.375 2.386 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000471603608 561008562 /nfs/dbraw/zinc/00/85/62/561008562.db2.gz UNPMQFOIQVRIEJ-UHFFFAOYSA-N -1 1 353.371 2.351 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CC(=O)NCc1ccccc1 ZINC000473882194 561059903 /nfs/dbraw/zinc/05/99/03/561059903.db2.gz YADSEEQVCQPWGZ-UHFFFAOYSA-N -1 1 370.453 2.177 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)n[nH]1 ZINC000474433620 561074043 /nfs/dbraw/zinc/07/40/43/561074043.db2.gz OPTKFGNZAMCCMN-UHFFFAOYSA-N -1 1 352.416 2.130 20 0 FEADMM COCCOc1cccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000474529827 561076083 /nfs/dbraw/zinc/07/60/83/561076083.db2.gz XQMROTYGFJXWGC-UHFFFAOYSA-N -1 1 363.439 2.168 20 0 FEADMM CCc1ccc(-c2nc(CC(=O)NC(C)(C)c3nn[n-]n3)cs2)cc1 ZINC000474998303 561087361 /nfs/dbraw/zinc/08/73/61/561087361.db2.gz CCFTXCBWTVDLJX-UHFFFAOYSA-N -1 1 356.455 2.480 20 0 FEADMM O=C(CCSc1ccc(Br)cc1)NC1(c2nn[n-]n2)CC1 ZINC000477059366 561135575 /nfs/dbraw/zinc/13/55/75/561135575.db2.gz RKBDNAZKUICGMI-UHFFFAOYSA-N -1 1 368.260 2.250 20 0 FEADMM N=c1nc(N2CCN(Cc3ccsc3Br)CC2)s[n-]1 ZINC000529537459 562377081 /nfs/dbraw/zinc/37/70/81/562377081.db2.gz SHNKBQPYIBPFJA-UHFFFAOYSA-N -1 1 360.306 2.267 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530040185 562395831 /nfs/dbraw/zinc/39/58/31/562395831.db2.gz VYJWUIKELYRMHP-GFCCVEGCSA-N -1 1 361.373 2.444 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC2COC2)cc1 ZINC000530113624 562398629 /nfs/dbraw/zinc/39/86/29/562398629.db2.gz MSPRXVPMWDWBSO-UHFFFAOYSA-N -1 1 360.435 2.172 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3COC3)c2)c1 ZINC000530112375 562398662 /nfs/dbraw/zinc/39/86/62/562398662.db2.gz NNLNUMSDUMVGBH-UHFFFAOYSA-N -1 1 360.435 2.172 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000530861227 562426474 /nfs/dbraw/zinc/42/64/74/562426474.db2.gz RIIKIMLGHOARPK-ZDUSSCGKSA-N -1 1 360.458 2.015 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)o1 ZINC000531117701 562435174 /nfs/dbraw/zinc/43/51/74/562435174.db2.gz KWFSWDLHMKSPFC-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000531756269 562455689 /nfs/dbraw/zinc/45/56/89/562455689.db2.gz FTNYQMHRXRIIGS-UHFFFAOYSA-N -1 1 370.340 2.444 20 0 FEADMM COCC1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000531983384 562463226 /nfs/dbraw/zinc/46/32/26/562463226.db2.gz VYYPTVAVYMEZFW-UHFFFAOYSA-N -1 1 360.435 2.396 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c(F)c2)o1 ZINC000532707737 562486358 /nfs/dbraw/zinc/48/63/58/562486358.db2.gz BZHRROCPDHMNIV-ZCFIWIBFSA-N -1 1 364.196 2.319 20 0 FEADMM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532900654 562492106 /nfs/dbraw/zinc/49/21/06/562492106.db2.gz YZRSBWVPWUDASI-NSHDSACASA-N -1 1 352.387 2.145 20 0 FEADMM COc1cc(NC(=O)N2CC[C@H](C3CC3)C2)ccc1[N-]S(C)(=O)=O ZINC000534265946 562529009 /nfs/dbraw/zinc/52/90/09/562529009.db2.gz XFQGWGQEZIBTED-LBPRGKRZSA-N -1 1 353.444 2.331 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)s1 ZINC000534766270 562541998 /nfs/dbraw/zinc/54/19/98/562541998.db2.gz XBKLUZZWHJLLIJ-QMMMGPOBSA-N -1 1 368.440 2.204 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2ccccc2)o1 ZINC000535333667 562556078 /nfs/dbraw/zinc/55/60/78/562556078.db2.gz XMUNLQRADCSUBW-LBPRGKRZSA-N -1 1 365.407 2.396 20 0 FEADMM COc1ccc(Cc2nnc(Sc3nc4c(cnn4C)c(=O)[n-]3)o2)cc1 ZINC000536530996 562577896 /nfs/dbraw/zinc/57/78/96/562577896.db2.gz WRDCIUPPVHLWRF-UHFFFAOYSA-N -1 1 370.394 2.203 20 0 FEADMM CC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000536939893 562582989 /nfs/dbraw/zinc/58/29/89/562582989.db2.gz LFRURXZTPZLCPO-UHFFFAOYSA-N -1 1 365.386 2.408 20 0 FEADMM Cc1c(=O)[n-]c(SCCN2CCCS2(=O)=O)nc1-c1ccccc1 ZINC000545935687 562631485 /nfs/dbraw/zinc/63/14/85/562631485.db2.gz DKISVINHBYSUMO-UHFFFAOYSA-N -1 1 365.480 2.285 20 0 FEADMM C[C@]1(CO)CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000546116456 562633938 /nfs/dbraw/zinc/63/39/38/562633938.db2.gz VPMFNQZGXRVDQU-LJQANCHMSA-N -1 1 374.462 2.474 20 0 FEADMM O=c1cc(/C=C/c2ccccc2I)nc2nc[n-]n21 ZINC000806570504 674381470 /nfs/dbraw/zinc/38/14/70/674381470.db2.gz BLFOVJJRZSZULV-AATRIKPKSA-N -1 1 364.146 2.193 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)ccnc1-2 ZINC000556176719 674390955 /nfs/dbraw/zinc/39/09/55/674390955.db2.gz FILPWLBIEQQCPQ-UHFFFAOYSA-N -1 1 374.319 2.301 20 0 FEADMM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1cc(Cl)ccc1F ZINC000556335047 674397505 /nfs/dbraw/zinc/39/75/05/674397505.db2.gz BNMRXRJPJOISHS-GFCCVEGCSA-N -1 1 351.827 2.343 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c1C ZINC000601975266 567893582 /nfs/dbraw/zinc/89/35/82/567893582.db2.gz IYRFEENDYMWSOC-QGZVFWFLSA-N -1 1 371.455 2.107 20 0 FEADMM COC(=O)c1nc[nH]c1NC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000602327295 567967540 /nfs/dbraw/zinc/96/75/40/567967540.db2.gz CJYIDGGTKXQBFZ-TXEJJXNPSA-N -1 1 358.398 2.062 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(c3ccccc3Cl)CCC2)n[n-]1 ZINC000603021290 568052416 /nfs/dbraw/zinc/05/24/16/568052416.db2.gz JSCNWFBIWJZNGV-UHFFFAOYSA-N -1 1 362.817 2.373 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(c3ccccc3Cl)CCC2)n1 ZINC000603021290 568052417 /nfs/dbraw/zinc/05/24/17/568052417.db2.gz JSCNWFBIWJZNGV-UHFFFAOYSA-N -1 1 362.817 2.373 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@]23CCCc2ccccc23)n[n-]1 ZINC000603152270 568065089 /nfs/dbraw/zinc/06/50/89/568065089.db2.gz CIWXUDSCCYGEBD-VHPWJVAPSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@]23CCCc2ccccc23)[n-]1 ZINC000603152270 568065090 /nfs/dbraw/zinc/06/50/90/568065090.db2.gz CIWXUDSCCYGEBD-VHPWJVAPSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@]23CCCc2ccccc23)n1 ZINC000603152270 568065091 /nfs/dbraw/zinc/06/50/91/568065091.db2.gz CIWXUDSCCYGEBD-VHPWJVAPSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(F)c(CSC)c2)n[n-]1 ZINC000603153187 568065224 /nfs/dbraw/zinc/06/52/24/568065224.db2.gz HLNHQRDYEYPQOR-SECBINFHSA-N -1 1 366.418 2.475 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(F)c(CSC)c2)[n-]1 ZINC000603153187 568065225 /nfs/dbraw/zinc/06/52/25/568065225.db2.gz HLNHQRDYEYPQOR-SECBINFHSA-N -1 1 366.418 2.475 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(F)c(CSC)c2)n1 ZINC000603153187 568065226 /nfs/dbraw/zinc/06/52/26/568065226.db2.gz HLNHQRDYEYPQOR-SECBINFHSA-N -1 1 366.418 2.475 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2cccc(Cl)c2F)n[n-]1 ZINC000603154293 568068397 /nfs/dbraw/zinc/06/83/97/568068397.db2.gz KGXNPUUJCIKGHS-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2cccc(Cl)c2F)[n-]1 ZINC000603154293 568068398 /nfs/dbraw/zinc/06/83/98/568068398.db2.gz KGXNPUUJCIKGHS-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2cccc(Cl)c2F)n1 ZINC000603154293 568068399 /nfs/dbraw/zinc/06/83/99/568068399.db2.gz KGXNPUUJCIKGHS-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C2(Cc3ccc(F)cc3)CC2)n[n-]1 ZINC000603156180 568068659 /nfs/dbraw/zinc/06/86/59/568068659.db2.gz QYHIDNZHKILMPK-NSHDSACASA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2(Cc3ccc(F)cc3)CC2)[n-]1 ZINC000603156180 568068660 /nfs/dbraw/zinc/06/86/60/568068660.db2.gz QYHIDNZHKILMPK-NSHDSACASA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2(Cc3ccc(F)cc3)CC2)n1 ZINC000603156180 568068661 /nfs/dbraw/zinc/06/86/61/568068661.db2.gz QYHIDNZHKILMPK-NSHDSACASA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000603166803 568070341 /nfs/dbraw/zinc/07/03/41/568070341.db2.gz RXCHSHSGOHOLMG-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)[n-]1 ZINC000603166803 568070342 /nfs/dbraw/zinc/07/03/42/568070342.db2.gz RXCHSHSGOHOLMG-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000603166803 568070343 /nfs/dbraw/zinc/07/03/43/568070343.db2.gz RXCHSHSGOHOLMG-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)n[n-]1 ZINC000603167081 568070432 /nfs/dbraw/zinc/07/04/32/568070432.db2.gz UDANZIHQQZUBEG-NEPJUHHUSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)[n-]1 ZINC000603167081 568070433 /nfs/dbraw/zinc/07/04/33/568070433.db2.gz UDANZIHQQZUBEG-NEPJUHHUSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)n1 ZINC000603167081 568070434 /nfs/dbraw/zinc/07/04/34/568070434.db2.gz UDANZIHQQZUBEG-NEPJUHHUSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)CCc2ccccc21 ZINC000603285744 568082897 /nfs/dbraw/zinc/08/28/97/568082897.db2.gz IGBRMVSGHWBCFU-CVEARBPZSA-N -1 1 373.421 2.356 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(C)c(C)c1 ZINC000603308596 568084536 /nfs/dbraw/zinc/08/45/36/568084536.db2.gz HDRWNUHCMNKDKQ-ZFWWWQNUSA-N -1 1 361.410 2.482 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nnc(CC)o1)c1nc(C)cs1 ZINC000603370427 568092055 /nfs/dbraw/zinc/09/20/55/568092055.db2.gz MXUJLZRYPVSUMN-LLVKDONJSA-N -1 1 355.441 2.405 20 0 FEADMM COC(=O)c1ccc(CCNC(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000603784742 568139381 /nfs/dbraw/zinc/13/93/81/568139381.db2.gz JZSZGKPGROWACH-UHFFFAOYSA-N -1 1 365.389 2.403 20 0 FEADMM COC(=O)c1ccc(CCNC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000603784742 568139382 /nfs/dbraw/zinc/13/93/82/568139382.db2.gz JZSZGKPGROWACH-UHFFFAOYSA-N -1 1 365.389 2.403 20 0 FEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000604513463 568306768 /nfs/dbraw/zinc/30/67/68/568306768.db2.gz KINLQMHVIXAJKL-UHFFFAOYSA-N -1 1 372.493 2.117 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc(Cl)ccn1 ZINC000737201850 598893003 /nfs/dbraw/zinc/89/30/03/598893003.db2.gz XDEQYSBQFXPSAJ-UHFFFAOYSA-N -1 1 373.804 2.204 20 0 FEADMM CC[C@@H](CO)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736352943 598906379 /nfs/dbraw/zinc/90/63/79/598906379.db2.gz MQWLPYXMJBYROA-ZDUSSCGKSA-N -1 1 372.454 2.165 20 0 FEADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021751 598941716 /nfs/dbraw/zinc/94/17/16/598941716.db2.gz PXVAZHATDUDPJK-TVQRCGJNSA-N -1 1 358.764 2.340 20 0 FEADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021751 598941718 /nfs/dbraw/zinc/94/17/18/598941718.db2.gz PXVAZHATDUDPJK-TVQRCGJNSA-N -1 1 358.764 2.340 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000736648009 598946609 /nfs/dbraw/zinc/94/66/09/598946609.db2.gz WHQIOKNYSWIMAO-UHFFFAOYSA-N -1 1 359.411 2.375 20 0 FEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c(OC)c1 ZINC000737096837 598959955 /nfs/dbraw/zinc/95/99/55/598959955.db2.gz ZVKLASYYIAJGAW-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c(OC)c1 ZINC000737096837 598959956 /nfs/dbraw/zinc/95/99/56/598959956.db2.gz ZVKLASYYIAJGAW-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM Cn1cc(CCNc2ccccc2Oc2ncccc2-c2nn[n-]n2)cn1 ZINC000737602515 598979861 /nfs/dbraw/zinc/97/98/61/598979861.db2.gz PYCNZJQBBRGDJU-UHFFFAOYSA-N -1 1 362.397 2.442 20 0 FEADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)c1ccccc1 ZINC000736989307 598989909 /nfs/dbraw/zinc/98/99/09/598989909.db2.gz ZKKPYCGXCCGPBA-ZDUSSCGKSA-N -1 1 352.398 2.112 20 0 FEADMM COCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)c1ccccc1 ZINC000736989307 598989910 /nfs/dbraw/zinc/98/99/10/598989910.db2.gz ZKKPYCGXCCGPBA-ZDUSSCGKSA-N -1 1 352.398 2.112 20 0 FEADMM COCCOc1c(Cl)cccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737011504 598999326 /nfs/dbraw/zinc/99/93/26/598999326.db2.gz VHBLPWDGIXILOR-UHFFFAOYSA-N -1 1 374.788 2.193 20 0 FEADMM COCCOc1c(Cl)cccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737011504 598999328 /nfs/dbraw/zinc/99/93/28/598999328.db2.gz VHBLPWDGIXILOR-UHFFFAOYSA-N -1 1 374.788 2.193 20 0 FEADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737999474 599004054 /nfs/dbraw/zinc/00/40/54/599004054.db2.gz ALBJYRFJPLTDKR-KRWDZBQOSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737999474 599004056 /nfs/dbraw/zinc/00/40/56/599004056.db2.gz ALBJYRFJPLTDKR-KRWDZBQOSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(Nc1nc(-c2ccsc2)ns1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738211459 599004814 /nfs/dbraw/zinc/00/48/14/599004814.db2.gz NMOYJMOULINXOV-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM O=C(Nc1nc(-c2ccsc2)ns1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738211459 599004815 /nfs/dbraw/zinc/00/48/15/599004815.db2.gz NMOYJMOULINXOV-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000736613773 599097011 /nfs/dbraw/zinc/09/70/11/599097011.db2.gz FVFOOQPJQOSDNQ-CVEARBPZSA-N -1 1 370.457 2.462 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000736613773 599097014 /nfs/dbraw/zinc/09/70/14/599097014.db2.gz FVFOOQPJQOSDNQ-CVEARBPZSA-N -1 1 370.457 2.462 20 0 FEADMM O=C(c1cccc(OCC(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000556696754 674413557 /nfs/dbraw/zinc/41/35/57/674413557.db2.gz RABPPUHTHBQFMX-LLVKDONJSA-N -1 1 355.320 2.161 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@@H]1C ZINC000820711161 599346241 /nfs/dbraw/zinc/34/62/41/599346241.db2.gz VAQCRLLSTQJIHG-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM CCCn1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cn1 ZINC000821148172 599160232 /nfs/dbraw/zinc/16/02/32/599160232.db2.gz MACYQOTXHUSPOB-UHFFFAOYSA-N -1 1 366.385 2.418 20 0 FEADMM CCCn1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cn1 ZINC000821148172 599160234 /nfs/dbraw/zinc/16/02/34/599160234.db2.gz MACYQOTXHUSPOB-UHFFFAOYSA-N -1 1 366.385 2.418 20 0 FEADMM O=C(NC[C@H](O)c1cccc(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000807479061 674417487 /nfs/dbraw/zinc/41/74/87/674417487.db2.gz YHFBDNDNMCTSFP-AWEZNQCLSA-N -1 1 364.195 2.187 20 0 FEADMM CCc1cnc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000821499667 599195176 /nfs/dbraw/zinc/19/51/76/599195176.db2.gz OKMMNISOGQFJJI-UHFFFAOYSA-N -1 1 373.442 2.174 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000737547479 599223666 /nfs/dbraw/zinc/22/36/66/599223666.db2.gz JXLFGBGSKDSUNP-TXEJJXNPSA-N -1 1 352.398 2.287 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000737547479 599223668 /nfs/dbraw/zinc/22/36/68/599223668.db2.gz JXLFGBGSKDSUNP-TXEJJXNPSA-N -1 1 352.398 2.287 20 0 FEADMM CC(C)C1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820039479 607259657 /nfs/dbraw/zinc/25/96/57/607259657.db2.gz XNNAFQZMAUVYLN-UHFFFAOYSA-N -1 1 364.475 2.002 20 0 FEADMM CC(C)C1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820039479 607259658 /nfs/dbraw/zinc/25/96/58/607259658.db2.gz XNNAFQZMAUVYLN-UHFFFAOYSA-N -1 1 364.475 2.002 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)N(C)CCC(=O)[O-])N1CCCCC1 ZINC000818631471 596991469 /nfs/dbraw/zinc/99/14/69/596991469.db2.gz YWLMPWMHXILOJJ-MRXNPFEDSA-N -1 1 363.458 2.338 20 0 FEADMM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)N1CCSCC1 ZINC000823493188 607315448 /nfs/dbraw/zinc/31/54/48/607315448.db2.gz HQGGTAMKXOHPEX-UHFFFAOYSA-N -1 1 370.438 2.261 20 0 FEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)N1CCSCC1 ZINC000823493188 607315449 /nfs/dbraw/zinc/31/54/49/607315449.db2.gz HQGGTAMKXOHPEX-UHFFFAOYSA-N -1 1 370.438 2.261 20 0 FEADMM O=C([O-])c1cccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000566223614 597664446 /nfs/dbraw/zinc/66/44/46/597664446.db2.gz HCYGYWHJGIWXPI-UHFFFAOYSA-N -1 1 360.454 2.349 20 0 FEADMM CCCS(=O)(=O)Nc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821138779 607317417 /nfs/dbraw/zinc/31/74/17/607317417.db2.gz HIRUNLQJZNALCG-UHFFFAOYSA-N -1 1 362.415 2.224 20 0 FEADMM CCCS(=O)(=O)Nc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821138779 607317418 /nfs/dbraw/zinc/31/74/18/607317418.db2.gz HIRUNLQJZNALCG-UHFFFAOYSA-N -1 1 362.415 2.224 20 0 FEADMM O=C1NCCCN1c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000823547299 607319022 /nfs/dbraw/zinc/31/90/22/607319022.db2.gz IBRRLSZUSMLJTH-UHFFFAOYSA-N -1 1 355.427 2.460 20 0 FEADMM CCOC1CC(CC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000807708883 674425140 /nfs/dbraw/zinc/42/51/40/674425140.db2.gz UVJCSUZKOBTJHT-NMOTYAQPSA-N -1 1 364.408 2.496 20 0 FEADMM Clc1ccc(NCc2ccccc2N2CCOCC2)nc1-c1nnn[n-]1 ZINC000737576252 598578018 /nfs/dbraw/zinc/57/80/18/598578018.db2.gz ZYRDLDJCIRPMRA-UHFFFAOYSA-N -1 1 371.832 2.364 20 0 FEADMM Clc1ccc(NCc2ccccc2N2CCOCC2)nc1-c1nn[n-]n1 ZINC000737576252 598578021 /nfs/dbraw/zinc/57/80/21/598578021.db2.gz ZYRDLDJCIRPMRA-UHFFFAOYSA-N -1 1 371.832 2.364 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000735499311 598594562 /nfs/dbraw/zinc/59/45/62/598594562.db2.gz OEBITXCTMWPPAT-UHFFFAOYSA-N -1 1 361.358 2.009 20 0 FEADMM COc1cccc2c1OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000737142820 598613078 /nfs/dbraw/zinc/61/30/78/598613078.db2.gz NAGODOATSRQCFY-MRVPVSSYSA-N -1 1 364.818 2.401 20 0 FEADMM COc1cccc2c1OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000737142820 598613080 /nfs/dbraw/zinc/61/30/80/598613080.db2.gz NAGODOATSRQCFY-MRVPVSSYSA-N -1 1 364.818 2.401 20 0 FEADMM O=S(=O)([N-][C@H]1COc2ccccc2[C@@H]1O)c1cc(Cl)ccc1F ZINC000808350635 674455489 /nfs/dbraw/zinc/45/54/89/674455489.db2.gz CFSRHLVSAWZEGW-WFASDCNBSA-N -1 1 357.790 2.252 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000737770956 598720938 /nfs/dbraw/zinc/72/09/38/598720938.db2.gz NQXWOUQPDIIXRA-UHFFFAOYSA-N -1 1 372.801 2.111 20 0 FEADMM CC(C)c1nc2n(n1)C[C@@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000735942206 598787028 /nfs/dbraw/zinc/78/70/28/598787028.db2.gz DVFUCYOUJPJCTP-VIFPVBQESA-N -1 1 359.825 2.057 20 0 FEADMM CC(C)c1nc2n(n1)C[C@@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000735942206 598787029 /nfs/dbraw/zinc/78/70/29/598787029.db2.gz DVFUCYOUJPJCTP-VIFPVBQESA-N -1 1 359.825 2.057 20 0 FEADMM CCOc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)cc1 ZINC000821417097 599308989 /nfs/dbraw/zinc/30/89/89/599308989.db2.gz JBANILWGYFDREI-LCYFTJDESA-N -1 1 351.322 2.203 20 0 FEADMM CCOc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)cc1 ZINC000821417097 599308991 /nfs/dbraw/zinc/30/89/91/599308991.db2.gz JBANILWGYFDREI-LCYFTJDESA-N -1 1 351.322 2.203 20 0 FEADMM C[C@@H](c1cccs1)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820570707 599337339 /nfs/dbraw/zinc/33/73/39/599337339.db2.gz PJRWQEIOJNHNMS-VIFPVBQESA-N -1 1 367.431 2.449 20 0 FEADMM C[C@@H](c1cccs1)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820570707 599337341 /nfs/dbraw/zinc/33/73/41/599337341.db2.gz PJRWQEIOJNHNMS-VIFPVBQESA-N -1 1 367.431 2.449 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1Cc2ccccc2C1 ZINC000823599873 599343975 /nfs/dbraw/zinc/34/39/75/599343975.db2.gz AIXJGXHLYHGVMR-UHFFFAOYSA-N -1 1 361.814 2.225 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC2(CCCC2)CC1 ZINC000823606804 599345437 /nfs/dbraw/zinc/34/54/37/599345437.db2.gz NFVROBYLIVORQZ-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC2(CCCC2)CC1 ZINC000823606804 599345439 /nfs/dbraw/zinc/34/54/39/599345439.db2.gz NFVROBYLIVORQZ-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820994700 599375663 /nfs/dbraw/zinc/37/56/63/599375663.db2.gz KHGFRWOQEHMXIZ-SNVBAGLBSA-N -1 1 373.891 2.036 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCOc1cc(Cl)cc(Cl)c1 ZINC000823657118 599385993 /nfs/dbraw/zinc/38/59/93/599385993.db2.gz ODHQVZYIALQIKO-UHFFFAOYSA-N -1 1 352.181 2.414 20 0 FEADMM CC(C)(C)OC(=O)NCC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735635676 599421848 /nfs/dbraw/zinc/42/18/48/599421848.db2.gz GPWUPJZWAHVHPH-UHFFFAOYSA-N -1 1 359.434 2.003 20 0 FEADMM CC(C)(C)OC(=O)NCC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735635676 599421849 /nfs/dbraw/zinc/42/18/49/599421849.db2.gz GPWUPJZWAHVHPH-UHFFFAOYSA-N -1 1 359.434 2.003 20 0 FEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000736746983 599424728 /nfs/dbraw/zinc/42/47/28/599424728.db2.gz DBRGQWMYSKAGAT-LBPRGKRZSA-N -1 1 359.434 2.097 20 0 FEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000736746983 599424730 /nfs/dbraw/zinc/42/47/30/599424730.db2.gz DBRGQWMYSKAGAT-LBPRGKRZSA-N -1 1 359.434 2.097 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821970640 599472057 /nfs/dbraw/zinc/47/20/57/599472057.db2.gz PQSDGKXRUFKYPL-SKDRFNHKSA-N -1 1 360.443 2.094 20 0 FEADMM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821320121 599492822 /nfs/dbraw/zinc/49/28/22/599492822.db2.gz KZTGSKYSJGCBPV-AWEZNQCLSA-N -1 1 374.401 2.019 20 0 FEADMM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821320121 599492825 /nfs/dbraw/zinc/49/28/25/599492825.db2.gz KZTGSKYSJGCBPV-AWEZNQCLSA-N -1 1 374.401 2.019 20 0 FEADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1c1ccccc1 ZINC000823511956 599548582 /nfs/dbraw/zinc/54/85/82/599548582.db2.gz JOEIKVYRPNFQHH-MRXNPFEDSA-N -1 1 371.404 2.054 20 0 FEADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1c1ccccc1 ZINC000823511956 599548584 /nfs/dbraw/zinc/54/85/84/599548584.db2.gz JOEIKVYRPNFQHH-MRXNPFEDSA-N -1 1 371.404 2.054 20 0 FEADMM CCCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736453107 599593977 /nfs/dbraw/zinc/59/39/77/599593977.db2.gz MDGPLWWNIZZVMN-UHFFFAOYSA-N -1 1 363.365 2.306 20 0 FEADMM CO[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(C)(C)C ZINC000821677434 599654748 /nfs/dbraw/zinc/65/47/48/599654748.db2.gz WUYWDAXXYHRBDI-LBPRGKRZSA-N -1 1 372.429 2.350 20 0 FEADMM CO[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(C)(C)C ZINC000821677434 599654749 /nfs/dbraw/zinc/65/47/49/599654749.db2.gz WUYWDAXXYHRBDI-LBPRGKRZSA-N -1 1 372.429 2.350 20 0 FEADMM COc1c(C)cc(CN(C)[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000737840436 599721055 /nfs/dbraw/zinc/72/10/55/599721055.db2.gz ZXOBKDFSHBVNQF-OAHLLOKOSA-N -1 1 362.470 2.456 20 0 FEADMM O=C([O-])CSCCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000739843318 599755897 /nfs/dbraw/zinc/75/58/97/599755897.db2.gz AJXHMIUQURLCQM-UHFFFAOYSA-N -1 1 374.466 2.386 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736653161 599799397 /nfs/dbraw/zinc/79/93/97/599799397.db2.gz TXRSGWDHOQSCNK-SNVBAGLBSA-N -1 1 352.350 2.018 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(N(C)C(=O)[O-])cc3)cc12 ZINC000738390400 599927406 /nfs/dbraw/zinc/92/74/06/599927406.db2.gz KGBLCOLOHKPRME-UHFFFAOYSA-N -1 1 362.367 2.446 20 0 FEADMM CS(=O)(=O)N[C@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000738158844 599937147 /nfs/dbraw/zinc/93/71/47/599937147.db2.gz ZIJWZSQNIWMBIE-NSHDSACASA-N -1 1 368.480 2.113 20 0 FEADMM COC(=O)c1sc(NC(=O)CN2CCC[C@H]2C2CC2)c(C(=O)[O-])c1C ZINC000737721259 599965274 /nfs/dbraw/zinc/96/52/74/599965274.db2.gz WLAYFILQULPHAS-NSHDSACASA-N -1 1 366.439 2.354 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCCC[C@@H]2[C@H](O)c2ccccc2)CCCCC1 ZINC000739285670 599994259 /nfs/dbraw/zinc/99/42/59/599994259.db2.gz KDDTVVLWUCJAPR-IEBWSBKVSA-N -1 1 374.481 2.478 20 0 FEADMM COc1ccccc1[C@@H](C)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738120055 600045925 /nfs/dbraw/zinc/04/59/25/600045925.db2.gz KPZGUYRDWITURF-RDTXWAMCSA-N -1 1 368.433 2.384 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000738538019 600137752 /nfs/dbraw/zinc/13/77/52/600137752.db2.gz NILQDIQYMUHQOR-CQSZACIVSA-N -1 1 360.435 2.145 20 0 FEADMM CCC[C@@](C)(NCC(=O)NCC1(c2ccccc2)CCOCC1)C(=O)[O-] ZINC000736961369 600156887 /nfs/dbraw/zinc/15/68/87/600156887.db2.gz APYIDRCADJCUHU-LJQANCHMSA-N -1 1 362.470 2.084 20 0 FEADMM O=C([O-])c1cc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000738672225 600181697 /nfs/dbraw/zinc/18/16/97/600181697.db2.gz OGIPFMHLYXSDCN-HUUCEWRRSA-N -1 1 367.833 2.101 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736879392 600264043 /nfs/dbraw/zinc/26/40/43/600264043.db2.gz QAIDISIZBOVRRB-DHSIGJKJSA-N -1 1 350.434 2.306 20 0 FEADMM CCCN(CCC(=O)NCC(=O)[O-])Cc1ccccc1Br ZINC000737020721 600294625 /nfs/dbraw/zinc/29/46/25/600294625.db2.gz XWOVLJRKWDBZGB-UHFFFAOYSA-N -1 1 357.248 2.252 20 0 FEADMM Cc1cc(C)cc(OCCN(C)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738363296 600299980 /nfs/dbraw/zinc/29/99/80/600299980.db2.gz DMUMUTXKCVZQHS-GOSISDBHSA-N -1 1 374.481 2.327 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000737403225 600313777 /nfs/dbraw/zinc/31/37/77/600313777.db2.gz UWBVVZGURFHRSV-INIZCTEOSA-N -1 1 358.442 2.033 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000738545162 600335080 /nfs/dbraw/zinc/33/50/80/600335080.db2.gz JXJNGJRULXRJKJ-HNNXBMFYSA-N -1 1 350.846 2.453 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])s1)N(C)Cc1ccccc1 ZINC000390658553 600345563 /nfs/dbraw/zinc/34/55/63/600345563.db2.gz RPEDVMGAGVQGDH-LBPRGKRZSA-N -1 1 368.480 2.245 20 0 FEADMM CCCS(=O)(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000568521028 600398785 /nfs/dbraw/zinc/39/87/85/600398785.db2.gz DMAXXZOCFXSJCY-OAHLLOKOSA-N -1 1 374.890 2.260 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000738347576 600472702 /nfs/dbraw/zinc/47/27/02/600472702.db2.gz OCRZEXSITOCXKO-UHFFFAOYSA-N -1 1 354.409 2.023 20 0 FEADMM O=C([O-])c1ccc(F)c(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000739249400 600490202 /nfs/dbraw/zinc/49/02/02/600490202.db2.gz SGGKPDMMKVLGFS-UHFFFAOYSA-N -1 1 370.340 2.159 20 0 FEADMM CCCN(C)CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000737007972 600506174 /nfs/dbraw/zinc/50/61/74/600506174.db2.gz RLNWIEGCYRGJHL-MRXNPFEDSA-N -1 1 361.442 2.046 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC000737122683 600525843 /nfs/dbraw/zinc/52/58/43/600525843.db2.gz LZTWUEKGTYQNDI-UHFFFAOYSA-N -1 1 372.425 2.441 20 0 FEADMM CCN(C)[C@@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC000737069433 600581353 /nfs/dbraw/zinc/58/13/53/600581353.db2.gz UBDMZMBUEQGPBY-IEBWSBKVSA-N -1 1 370.449 2.445 20 0 FEADMM C[C@H]1CCN(C(=O)/C=C\C2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809248338 674488658 /nfs/dbraw/zinc/48/86/58/674488658.db2.gz BEBBAAGRWJTAQN-RMJABYRPSA-N -1 1 362.392 2.273 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000737001421 600684869 /nfs/dbraw/zinc/68/48/69/600684869.db2.gz VLPAJHFFJVKRDB-RDJZCZTQSA-N -1 1 358.438 2.458 20 0 FEADMM C[C@@](O)(CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[O-] ZINC000736672819 600762530 /nfs/dbraw/zinc/76/25/30/600762530.db2.gz SQUFLIUCENCAMV-HXUWFJFHSA-N -1 1 372.421 2.010 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@@H](N2CCC(n3ccnc3)CC2)C1=O ZINC000833336456 600821757 /nfs/dbraw/zinc/82/17/57/600821757.db2.gz RJXQDNYUIQIPBK-CQSZACIVSA-N -1 1 360.439 2.085 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1 ZINC000831252494 600984157 /nfs/dbraw/zinc/98/41/57/600984157.db2.gz QRQYCHVLGJSFKN-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000833011386 601030460 /nfs/dbraw/zinc/03/04/60/601030460.db2.gz KKZRVVUPZLIHDX-IBGZPJMESA-N -1 1 356.426 2.271 20 0 FEADMM COC(=O)c1cc(NC(=O)CN2CCC3(CCCC3)C2)cc(C(=O)[O-])c1 ZINC000831269809 601039175 /nfs/dbraw/zinc/03/91/75/601039175.db2.gz QEDVBXOKRZPLHT-UHFFFAOYSA-N -1 1 360.410 2.376 20 0 FEADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630222926 601084318 /nfs/dbraw/zinc/08/43/18/601084318.db2.gz GNYVIFJIDNTTGU-HZMVEIRTSA-N -1 1 354.491 2.368 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221865 601086110 /nfs/dbraw/zinc/08/61/10/601086110.db2.gz DDOOVUSQCPLNEV-QWHCGFSZSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000827356497 601086691 /nfs/dbraw/zinc/08/66/91/601086691.db2.gz SPWOQYMLFIZJBO-USEMIUTHSA-N -1 1 371.231 2.063 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000630225861 601105392 /nfs/dbraw/zinc/10/53/92/601105392.db2.gz XXGXINORMDHONS-MRXNPFEDSA-N -1 1 362.470 2.271 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000827355741 601107096 /nfs/dbraw/zinc/10/70/96/601107096.db2.gz MEJFAJZJYKOIEX-HVHJFMEUSA-N -1 1 353.422 2.255 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000831962084 601173601 /nfs/dbraw/zinc/17/36/01/601173601.db2.gz USPYWXBPHASUPV-BLVKFPJESA-N -1 1 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Cc1n[nH]c([C@H]2CCCN([C@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000832997451 602234256 /nfs/dbraw/zinc/23/42/56/602234256.db2.gz YOROJYFJUGTYLN-YPMHNXCESA-N -1 1 359.430 2.207 20 0 FEADMM Cc1nnc([C@H]2CCCN([C@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)[nH]1 ZINC000832997451 602234258 /nfs/dbraw/zinc/23/42/58/602234258.db2.gz YOROJYFJUGTYLN-YPMHNXCESA-N -1 1 359.430 2.207 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000739737338 602265924 /nfs/dbraw/zinc/26/59/24/602265924.db2.gz XOCMOWNAYBVKCY-UHFFFAOYSA-N -1 1 368.437 2.458 20 0 FEADMM C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739014576 602446090 /nfs/dbraw/zinc/44/60/90/602446090.db2.gz HCPJKWMPEKNZSC-UONOGXRCSA-N -1 1 365.449 2.241 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000739027448 602450173 /nfs/dbraw/zinc/45/01/73/602450173.db2.gz OLMGSPCRWGTJNJ-CYBMUJFWSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000739016672 602463535 /nfs/dbraw/zinc/46/35/35/602463535.db2.gz QYTMWSXYGPOPFS-CHWSQXEVSA-N -1 1 353.488 2.163 20 0 FEADMM CCCN(CC(=O)NCCc1c(F)cccc1F)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352558 602543006 /nfs/dbraw/zinc/54/30/06/602543006.db2.gz DGAVSLSNQRAYIT-CYBMUJFWSA-N -1 1 369.412 2.088 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739057700 602543113 /nfs/dbraw/zinc/54/31/13/602543113.db2.gz MTEHXZATKBMYQT-STQMWFEESA-N -1 1 369.412 2.416 20 0 FEADMM CCCN(CCCS(=O)(=O)c1ccccc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739357372 602547640 /nfs/dbraw/zinc/54/76/40/602547640.db2.gz PLVVCPJMCVOKCJ-HNNXBMFYSA-N -1 1 354.472 2.315 20 0 FEADMM O=S(=O)(Oc1ccccc1F)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493998 607573048 /nfs/dbraw/zinc/57/30/48/607573048.db2.gz LNEXYIPHUMMVDJ-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM CN(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000739609860 602563204 /nfs/dbraw/zinc/56/32/04/602563204.db2.gz XXNISCIUCLWFRZ-CABCVRRESA-N -1 1 361.467 2.346 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])c1ccc(F)cc1 ZINC000739608278 602568285 /nfs/dbraw/zinc/56/82/85/602568285.db2.gz ONBRUBMUMGFHQK-QZTJIDSGSA-N -1 1 373.428 2.424 20 0 FEADMM C[C@@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738984167 602664932 /nfs/dbraw/zinc/66/49/32/602664932.db2.gz VOULJYYRONMBFH-OCCSQVGLSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738984167 602664933 /nfs/dbraw/zinc/66/49/33/602664933.db2.gz VOULJYYRONMBFH-OCCSQVGLSA-N -1 1 372.429 2.049 20 0 FEADMM CN(C)[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1cccc(F)c1 ZINC000739609267 602706120 /nfs/dbraw/zinc/70/61/20/602706120.db2.gz UPEGQGXDRNALFX-CYBMUJFWSA-N -1 1 366.418 2.083 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739962052 602786203 /nfs/dbraw/zinc/78/62/03/602786203.db2.gz ULGFCADGLUJLDG-DZKIICNBSA-N -1 1 363.458 2.193 20 0 FEADMM C[C@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000738956790 602791806 /nfs/dbraw/zinc/79/18/06/602791806.db2.gz GBPCQEKQBUXZPL-CPCISQLKSA-N -1 1 354.819 2.446 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739132730 602930593 /nfs/dbraw/zinc/93/05/93/602930593.db2.gz GECIGFZGJVXEBS-KCXAZCMYSA-N -1 1 366.437 2.116 20 0 FEADMM C[C@H]1Cc2ccccc2[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825013801 607613060 /nfs/dbraw/zinc/61/30/60/607613060.db2.gz RRYZKDGZDPWNGQ-QFYYESIMSA-N -1 1 373.413 2.218 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)cs1 ZINC000828761177 603241313 /nfs/dbraw/zinc/24/13/13/603241313.db2.gz PBBYIKFFUKMHGO-UHFFFAOYSA-N -1 1 370.408 2.103 20 0 FEADMM CCCC[C@@H](COC)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825260340 607619617 /nfs/dbraw/zinc/61/96/17/607619617.db2.gz OHEHPFYHZYQTTP-JTQLQIEISA-N -1 1 373.866 2.004 20 0 FEADMM CCCC[C@@H](COC)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825260340 607619619 /nfs/dbraw/zinc/61/96/19/607619619.db2.gz OHEHPFYHZYQTTP-JTQLQIEISA-N -1 1 373.866 2.004 20 0 FEADMM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739738343 603347464 /nfs/dbraw/zinc/34/74/64/603347464.db2.gz DRJWKJCOVALFRZ-CYBMUJFWSA-N -1 1 373.375 2.253 20 0 FEADMM O=C([O-])N1CCC(N(C(=O)CSc2n[nH]c(=S)s2)C2CC2)CC1 ZINC000831922456 603483908 /nfs/dbraw/zinc/48/39/08/603483908.db2.gz PSTLTFKUVZLUGP-UHFFFAOYSA-N -1 1 374.513 2.052 20 0 FEADMM C[C@@H](NC(=O)Nc1cnn(-c2ccncc2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825170832 603556137 /nfs/dbraw/zinc/55/61/37/603556137.db2.gz DZGSYVYGGWXGEP-OLZOCXBDSA-N -1 1 358.402 2.167 20 0 FEADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000832512586 603556813 /nfs/dbraw/zinc/55/68/13/603556813.db2.gz GBXSBMBHNQAVRJ-IUODEOHRSA-N -1 1 358.402 2.215 20 0 FEADMM CN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC(C)(C)CNC(=O)[O-] ZINC000828090133 603628271 /nfs/dbraw/zinc/62/82/71/603628271.db2.gz KRBBKJREMULZFI-NSHDSACASA-N -1 1 353.385 2.013 20 0 FEADMM CC(C)(CNC(=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000823969571 603648314 /nfs/dbraw/zinc/64/83/14/603648314.db2.gz PSKYRNRRZBCEHF-UHFFFAOYSA-N -1 1 351.472 2.468 20 0 FEADMM C[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]1CNC(=O)[O-] ZINC000825925780 603711617 /nfs/dbraw/zinc/71/16/17/603711617.db2.gz RFEIXXDDNIACAA-RISCZKNCSA-N -1 1 364.833 2.216 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000824991693 607654064 /nfs/dbraw/zinc/65/40/64/607654064.db2.gz FGLXAZAUHSJQLN-BZNIZROVSA-N -1 1 373.413 2.388 20 0 FEADMM CC(C)[C@H](CCN(C)CC(=O)N1CCc2sccc2C1)NC(=O)[O-] ZINC000824098298 603825601 /nfs/dbraw/zinc/82/56/01/603825601.db2.gz HBSNOEDADAEEEX-AWEZNQCLSA-N -1 1 353.488 2.247 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000826088363 603867944 /nfs/dbraw/zinc/86/79/44/603867944.db2.gz XILPBFCYJDSKIV-QKPAOTATSA-N -1 1 352.479 2.081 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])c1cccc(F)c1 ZINC000827994479 603886798 /nfs/dbraw/zinc/88/67/98/603886798.db2.gz LEIFLUWHQHBNQH-CWRNSKLLSA-N -1 1 366.437 2.164 20 0 FEADMM O=C([O-])NC[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000832552170 603889011 /nfs/dbraw/zinc/88/90/11/603889011.db2.gz YOLYTWXJAORSML-CABCVRRESA-N -1 1 364.446 2.248 20 0 FEADMM C[C@H](NC(=O)[O-])C(=O)OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000740027870 603915165 /nfs/dbraw/zinc/91/51/65/603915165.db2.gz HHDWNQGBUUKYME-NWDGAFQWSA-N -1 1 356.369 2.376 20 0 FEADMM O=C([O-])N[C@@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000832752285 604058809 /nfs/dbraw/zinc/05/88/09/604058809.db2.gz OWZDJKJZJOBXAH-MRXNPFEDSA-N -1 1 356.357 2.370 20 0 FEADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000824847882 604105799 /nfs/dbraw/zinc/10/57/99/604105799.db2.gz LAPHNQZNUOFXJA-ZDUSSCGKSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256450 604166548 /nfs/dbraw/zinc/16/65/48/604166548.db2.gz XWQLXBAWGCZBOI-MJBXVCDLSA-N -1 1 353.488 2.163 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@H]3CCCC[C@H]3CNC(=O)[O-])[nH]c2c1 ZINC000830433449 604196019 /nfs/dbraw/zinc/19/60/19/604196019.db2.gz UKZFSMZDQLQJBD-STQMWFEESA-N -1 1 359.430 2.497 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@](C)(C(=O)[O-])C3CC3)n2)cc1 ZINC000832907936 604283474 /nfs/dbraw/zinc/28/34/74/604283474.db2.gz QDKSHDOFEOEOKH-KRWDZBQOSA-N -1 1 360.439 2.242 20 0 FEADMM C[C@@H](CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826057878 604296908 /nfs/dbraw/zinc/29/69/08/604296908.db2.gz KRIKTGUCGPTWSZ-MWDXBVQZSA-N -1 1 369.506 2.018 20 0 FEADMM CCc1nc([C@@H]2CN(C(=O)Nc3cccc(NC(=O)[O-])c3)CCO2)n[nH]1 ZINC000830304673 604325760 /nfs/dbraw/zinc/32/57/60/604325760.db2.gz VHISBUYQIMUNHI-LBPRGKRZSA-N -1 1 360.374 2.062 20 0 FEADMM O=C([O-])N[C@@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000740595826 604379858 /nfs/dbraw/zinc/37/98/58/604379858.db2.gz WAGNACCIMDKTQI-MSOLQXFVSA-N -1 1 356.422 2.435 20 0 FEADMM COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000833717683 604535947 /nfs/dbraw/zinc/53/59/47/604535947.db2.gz RADCQNYXGAYFBV-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM CN1CCC2(CCCN2S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CC1 ZINC000833698809 604552358 /nfs/dbraw/zinc/55/23/58/604552358.db2.gz WVZJUXJNIBWBME-UHFFFAOYSA-N -1 1 372.874 2.287 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(CCC(=O)[O-])cs3)ccc2O1 ZINC000828516651 604620541 /nfs/dbraw/zinc/62/05/41/604620541.db2.gz QCAQHESQLMGMHQ-SECBINFHSA-N -1 1 368.436 2.285 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)c1C(=O)[O-] ZINC000832972449 604623206 /nfs/dbraw/zinc/62/32/06/604623206.db2.gz CIDPPYFWMBZLJW-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM C[C@@H](Oc1ccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1)C(=O)[O-] ZINC000833537519 604644770 /nfs/dbraw/zinc/64/47/70/604644770.db2.gz KQNNTQMSVHOVDW-BXUZGUMPSA-N -1 1 374.359 2.134 20 0 FEADMM CN1CC[C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000833697065 604708410 /nfs/dbraw/zinc/70/84/10/604708410.db2.gz CHDOROIOFPPHEV-ROUUACIJSA-N -1 1 374.462 2.250 20 0 FEADMM O=C([O-])COc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000833258939 604807196 /nfs/dbraw/zinc/80/71/96/604807196.db2.gz CEVHIFMZQALHHA-UHFFFAOYSA-N -1 1 360.750 2.138 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)[O-])n[nH]2)c1 ZINC000829532127 604888990 /nfs/dbraw/zinc/88/89/90/604888990.db2.gz VQCYKBKALYPHRV-KGLIPLIRSA-N -1 1 370.409 2.442 20 0 FEADMM CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833462205 604915209 /nfs/dbraw/zinc/91/52/09/604915209.db2.gz CEDUDFUKWVSYHV-ZDUSSCGKSA-N -1 1 358.398 2.237 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000833506486 605010667 /nfs/dbraw/zinc/01/06/67/605010667.db2.gz FKHUEFBBDDUUND-UHFFFAOYSA-N -1 1 356.425 2.358 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1C(=O)[O-])N1CCCC[C@@H]1C ZINC000833615194 605017207 /nfs/dbraw/zinc/01/72/07/605017207.db2.gz KDPIHWRTAALETR-NWDGAFQWSA-N -1 1 358.435 2.065 20 0 FEADMM CCN1C[C@H](C)[C@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1 ZINC000833655563 605041377 /nfs/dbraw/zinc/04/13/77/605041377.db2.gz DRIOEWOAEJFZSF-CMPLNLGQSA-N -1 1 368.480 2.218 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1ccc(Cl)cc1 ZINC000833627118 605047959 /nfs/dbraw/zinc/04/79/59/605047959.db2.gz UFIDDVCYCQWRNM-AWEZNQCLSA-N -1 1 367.877 2.463 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccccc1Cl ZINC000833627340 605048180 /nfs/dbraw/zinc/04/81/80/605048180.db2.gz WKZHTSHVBRIWRC-CYBMUJFWSA-N -1 1 353.850 2.073 20 0 FEADMM CCOC(=O)CC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000825508329 607731037 /nfs/dbraw/zinc/73/10/37/607731037.db2.gz WULFVYGAXDDSJO-NSHDSACASA-N -1 1 364.837 2.475 20 0 FEADMM CCOC(=O)CC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000825508329 607731039 /nfs/dbraw/zinc/73/10/39/607731039.db2.gz WULFVYGAXDDSJO-NSHDSACASA-N -1 1 364.837 2.475 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000833768058 605083199 /nfs/dbraw/zinc/08/31/99/605083199.db2.gz XZNBKUWJGYJHJJ-VIFPVBQESA-N -1 1 366.786 2.205 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1C1CC1 ZINC000833494820 605157317 /nfs/dbraw/zinc/15/73/17/605157317.db2.gz NVVQWIWZSHYBBC-AWEZNQCLSA-N -1 1 362.474 2.038 20 0 FEADMM CCCCc1nnc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)s1 ZINC000826847558 605158888 /nfs/dbraw/zinc/15/88/88/605158888.db2.gz JRWLJAKGGQXOPB-UHFFFAOYSA-N -1 1 369.491 2.330 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C[C@@H]1C ZINC000833656545 605164547 /nfs/dbraw/zinc/16/45/47/605164547.db2.gz JIVXFHSRPQTVLH-RYUDHWBXSA-N -1 1 363.414 2.118 20 0 FEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000833682809 605427031 /nfs/dbraw/zinc/42/70/31/605427031.db2.gz LYMCSCALOTUQEJ-RYUDHWBXSA-N -1 1 358.460 2.081 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000834244786 605427042 /nfs/dbraw/zinc/42/70/42/605427042.db2.gz HOSBVONVYWDMMG-UHFFFAOYSA-N -1 1 367.365 2.370 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103305 605471513 /nfs/dbraw/zinc/47/15/13/605471513.db2.gz AHONNVNOSALIHG-IRXDYDNUSA-N -1 1 359.474 2.431 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103305 605471519 /nfs/dbraw/zinc/47/15/19/605471519.db2.gz AHONNVNOSALIHG-IRXDYDNUSA-N -1 1 359.474 2.431 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC000833818995 605669760 /nfs/dbraw/zinc/66/97/60/605669760.db2.gz SLEXOOZEVRRXFR-BJJXKVORSA-N -1 1 366.437 2.116 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc2ccccc2c1 ZINC000834204280 605707896 /nfs/dbraw/zinc/70/78/96/605707896.db2.gz DJPAZOSGWHZGAY-OAHLLOKOSA-N -1 1 353.382 2.016 20 0 FEADMM N=C(NOCc1csc(-c2cccs2)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833981273 605733226 /nfs/dbraw/zinc/73/32/26/605733226.db2.gz SZCBGFAIHVVKNM-SNVBAGLBSA-N -1 1 368.440 2.249 20 0 FEADMM Cc1ccc(Br)cc1NC(=O)CN[C@H]1CCN(C(=O)[O-])C1 ZINC000830170573 605846262 /nfs/dbraw/zinc/84/62/62/605846262.db2.gz JHHRIGDNXILTBO-NSHDSACASA-N -1 1 356.220 2.038 20 0 FEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2C1 ZINC000834120373 605877674 /nfs/dbraw/zinc/87/76/74/605877674.db2.gz LRBRBOABNFHZEC-UHFFFAOYSA-N -1 1 373.434 2.407 20 0 FEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000833833496 605906094 /nfs/dbraw/zinc/90/60/94/605906094.db2.gz YQNRCNJSASZYQG-NWDGAFQWSA-N -1 1 371.840 2.416 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)c3cn[nH]c3-c3ccncc3)cc2C1 ZINC000834056988 605919645 /nfs/dbraw/zinc/91/96/45/605919645.db2.gz ANVLVRXUGJPRPV-UHFFFAOYSA-N -1 1 364.365 2.155 20 0 FEADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C2CCC2)CC1 ZINC000834252602 605928675 /nfs/dbraw/zinc/92/86/75/605928675.db2.gz NNBXHTSBEVJTGX-SFHVURJKSA-N -1 1 370.453 2.043 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)c(C(=O)[O-])c1 ZINC000833510955 605940574 /nfs/dbraw/zinc/94/05/74/605940574.db2.gz VOPXVFJFVBJPOZ-OAHLLOKOSA-N -1 1 370.409 2.364 20 0 FEADMM Cc1ccccc1S(=O)(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2 ZINC000833908475 606078286 /nfs/dbraw/zinc/07/82/86/606078286.db2.gz CBHHXVZHHXQFLH-CYBMUJFWSA-N -1 1 361.423 2.316 20 0 FEADMM O=C([O-])N1CC[C@H](CCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834075459 606093599 /nfs/dbraw/zinc/09/35/99/606093599.db2.gz LEIHCLZVUPNLPN-GXTWGEPZSA-N -1 1 361.446 2.168 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823600541 606124194 /nfs/dbraw/zinc/12/41/94/606124194.db2.gz HZIXLUGUFKMTPT-QWRGUYRKSA-N -1 1 367.862 2.331 20 0 FEADMM CN(Cc1ccc2ccccc2c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821612342 606156767 /nfs/dbraw/zinc/15/67/67/606156767.db2.gz RCLISRAMXUUUDP-UHFFFAOYSA-N -1 1 362.397 2.417 20 0 FEADMM CN(Cc1ccc2ccccc2c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821612342 606156769 /nfs/dbraw/zinc/15/67/69/606156769.db2.gz RCLISRAMXUUUDP-UHFFFAOYSA-N -1 1 362.397 2.417 20 0 FEADMM Cc1ccccc1C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000822350972 606158625 /nfs/dbraw/zinc/15/86/25/606158625.db2.gz ILTRBDYYXGWMSG-UHFFFAOYSA-N -1 1 366.429 2.320 20 0 FEADMM Cc1ccccc1C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000822350972 606158627 /nfs/dbraw/zinc/15/86/27/606158627.db2.gz ILTRBDYYXGWMSG-UHFFFAOYSA-N -1 1 366.429 2.320 20 0 FEADMM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822227571 606161157 /nfs/dbraw/zinc/16/11/57/606161157.db2.gz NJJPYLPNPDJYJF-UHFFFAOYSA-N -1 1 368.445 2.350 20 0 FEADMM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822227571 606161158 /nfs/dbraw/zinc/16/11/58/606161158.db2.gz NJJPYLPNPDJYJF-UHFFFAOYSA-N -1 1 368.445 2.350 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)c2ccc(Cl)cc2)n1 ZINC000822613091 606164608 /nfs/dbraw/zinc/16/46/08/606164608.db2.gz AAYKOOSNCZYZJW-UHFFFAOYSA-N -1 1 374.836 2.353 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)c2ccc(Cl)cc2)n1 ZINC000822613091 606164609 /nfs/dbraw/zinc/16/46/09/606164609.db2.gz AAYKOOSNCZYZJW-UHFFFAOYSA-N -1 1 374.836 2.353 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000821828567 606164947 /nfs/dbraw/zinc/16/49/47/606164947.db2.gz YDZITMBJOWCOLM-UHFFFAOYSA-N -1 1 373.804 2.364 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000821828567 606164948 /nfs/dbraw/zinc/16/49/48/606164948.db2.gz YDZITMBJOWCOLM-UHFFFAOYSA-N -1 1 373.804 2.364 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C2CCCC2)C2CCCC2)n1 ZINC000822609053 606170599 /nfs/dbraw/zinc/17/05/99/606170599.db2.gz ILOSEVARBHEXHO-UHFFFAOYSA-N -1 1 358.450 2.471 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C2CCCC2)C2CCCC2)n1 ZINC000822609053 606170601 /nfs/dbraw/zinc/17/06/01/606170601.db2.gz ILOSEVARBHEXHO-UHFFFAOYSA-N -1 1 358.450 2.471 20 0 FEADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822356199 606171000 /nfs/dbraw/zinc/17/10/00/606171000.db2.gz MZSOIZXFIMKPEI-AWEZNQCLSA-N -1 1 366.429 2.148 20 0 FEADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822356199 606171001 /nfs/dbraw/zinc/17/10/01/606171001.db2.gz MZSOIZXFIMKPEI-AWEZNQCLSA-N -1 1 366.429 2.148 20 0 FEADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820716310 606171749 /nfs/dbraw/zinc/17/17/49/606171749.db2.gz IRTGRFBDMAEUGS-HZMBPMFUSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820716310 606171751 /nfs/dbraw/zinc/17/17/51/606171751.db2.gz IRTGRFBDMAEUGS-HZMBPMFUSA-N -1 1 370.392 2.354 20 0 FEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820920019 606172310 /nfs/dbraw/zinc/17/23/10/606172310.db2.gz IYTDIMIXCAJRKU-LBPRGKRZSA-N -1 1 362.344 2.151 20 0 FEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820920019 606172312 /nfs/dbraw/zinc/17/23/12/606172312.db2.gz IYTDIMIXCAJRKU-LBPRGKRZSA-N -1 1 362.344 2.151 20 0 FEADMM COc1ccc(OCCCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821841644 606293836 /nfs/dbraw/zinc/29/38/36/606293836.db2.gz KTPZTFWEVNGLCD-UHFFFAOYSA-N -1 1 369.381 2.379 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823040435 606294317 /nfs/dbraw/zinc/29/43/17/606294317.db2.gz KLQOZXFACFIRCH-UHFFFAOYSA-N -1 1 363.736 2.382 20 0 FEADMM C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820715487 606431694 /nfs/dbraw/zinc/43/16/94/606431694.db2.gz BOEWHABHVSTGST-MRVPVSSYSA-N -1 1 361.349 2.059 20 0 FEADMM Cc1noc(COc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2)n1 ZINC000822528274 606432806 /nfs/dbraw/zinc/43/28/06/606432806.db2.gz ZOBPYGVINMNOBY-UHFFFAOYSA-N -1 1 351.326 2.324 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC[C@H]1CCCO1 ZINC000822540796 606437796 /nfs/dbraw/zinc/43/77/96/606437796.db2.gz GYJHPWJREXFXHF-GFCCVEGCSA-N -1 1 357.370 2.285 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC[C@H]1CCCO1 ZINC000822540796 606437797 /nfs/dbraw/zinc/43/77/97/606437797.db2.gz GYJHPWJREXFXHF-GFCCVEGCSA-N -1 1 357.370 2.285 20 0 FEADMM FC(F)(F)Cn1ccnc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822718147 606465709 /nfs/dbraw/zinc/46/57/09/606465709.db2.gz ABQRJXVYVKLWGJ-UHFFFAOYSA-N -1 1 358.715 2.286 20 0 FEADMM FC(F)(F)Cn1ccnc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822718147 606465710 /nfs/dbraw/zinc/46/57/10/606465710.db2.gz ABQRJXVYVKLWGJ-UHFFFAOYSA-N -1 1 358.715 2.286 20 0 FEADMM O=C(Oc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144970 606514361 /nfs/dbraw/zinc/51/43/61/606514361.db2.gz NKIQVIUASNGBGP-UHFFFAOYSA-N -1 1 355.379 2.040 20 0 FEADMM O=C(Oc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144970 606514362 /nfs/dbraw/zinc/51/43/62/606514362.db2.gz NKIQVIUASNGBGP-UHFFFAOYSA-N -1 1 355.379 2.040 20 0 FEADMM O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823368318 606530266 /nfs/dbraw/zinc/53/02/66/606530266.db2.gz UKQJYVRTUXUNJF-UHFFFAOYSA-N -1 1 356.411 2.017 20 0 FEADMM O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823368318 606530268 /nfs/dbraw/zinc/53/02/68/606530268.db2.gz UKQJYVRTUXUNJF-UHFFFAOYSA-N -1 1 356.411 2.017 20 0 FEADMM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823253882 606543746 /nfs/dbraw/zinc/54/37/46/606543746.db2.gz NUQDYEQBCYXFHA-UHFFFAOYSA-N -1 1 356.411 2.042 20 0 FEADMM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823253882 606543748 /nfs/dbraw/zinc/54/37/48/606543748.db2.gz NUQDYEQBCYXFHA-UHFFFAOYSA-N -1 1 356.411 2.042 20 0 FEADMM O=C(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823215747 606554340 /nfs/dbraw/zinc/55/43/40/606554340.db2.gz SIJCLIHSALOSQW-UHFFFAOYSA-N -1 1 351.338 2.015 20 0 FEADMM O=C(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823215747 606554341 /nfs/dbraw/zinc/55/43/41/606554341.db2.gz SIJCLIHSALOSQW-UHFFFAOYSA-N -1 1 351.338 2.015 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C(=O)N(C)C ZINC000822209483 606571795 /nfs/dbraw/zinc/57/17/95/606571795.db2.gz KUPAMZKIDYBHSV-UHFFFAOYSA-N -1 1 356.411 2.191 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C(=O)N(C)C ZINC000822209483 606571797 /nfs/dbraw/zinc/57/17/97/606571797.db2.gz KUPAMZKIDYBHSV-UHFFFAOYSA-N -1 1 356.411 2.191 20 0 FEADMM Cc1ccc(NC(=O)Cc2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000822248359 606620075 /nfs/dbraw/zinc/62/00/75/606620075.db2.gz BKCWZAQSSNPBDW-UHFFFAOYSA-N -1 1 367.394 2.468 20 0 FEADMM Cc1ccc(NC(=O)Cc2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000822248359 606620078 /nfs/dbraw/zinc/62/00/78/606620078.db2.gz BKCWZAQSSNPBDW-UHFFFAOYSA-N -1 1 367.394 2.468 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823436465 606647606 /nfs/dbraw/zinc/64/76/06/606647606.db2.gz WSQAYUYBWWVQGL-NEPJUHHUSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823436465 606647607 /nfs/dbraw/zinc/64/76/07/606647607.db2.gz WSQAYUYBWWVQGL-NEPJUHHUSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000823436273 606650089 /nfs/dbraw/zinc/65/00/89/606650089.db2.gz OGJQIFDGCYXZPX-LBPRGKRZSA-N -1 1 371.784 2.210 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000823436273 606650090 /nfs/dbraw/zinc/65/00/90/606650090.db2.gz OGJQIFDGCYXZPX-LBPRGKRZSA-N -1 1 371.784 2.210 20 0 FEADMM CCOCCOc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821383887 606650236 /nfs/dbraw/zinc/65/02/36/606650236.db2.gz JUIDIAFWHBLPEZ-UHFFFAOYSA-N -1 1 369.381 2.034 20 0 FEADMM CCOCCOc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821383887 606650237 /nfs/dbraw/zinc/65/02/37/606650237.db2.gz JUIDIAFWHBLPEZ-UHFFFAOYSA-N -1 1 369.381 2.034 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1sccc1-n1cccc1 ZINC000823440476 606652310 /nfs/dbraw/zinc/65/23/10/606652310.db2.gz VNAJWKWKOLJMCH-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1sccc1-n1cccc1 ZINC000823440476 606652311 /nfs/dbraw/zinc/65/23/11/606652311.db2.gz VNAJWKWKOLJMCH-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc(F)c2F)n1 ZINC000819971151 606683971 /nfs/dbraw/zinc/68/39/71/606683971.db2.gz DPGPFQKEXSWUGT-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc(F)c2F)n1 ZINC000819971151 606683972 /nfs/dbraw/zinc/68/39/72/606683972.db2.gz DPGPFQKEXSWUGT-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM CCc1nc2n(n1)CCC[C@@H]2Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821517560 606729047 /nfs/dbraw/zinc/72/90/47/606729047.db2.gz KLTNQZXUOKDOKA-LURJTMIESA-N -1 1 351.827 2.078 20 0 FEADMM CCc1nc2n(n1)CCC[C@@H]2Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821517560 606729048 /nfs/dbraw/zinc/72/90/48/606729048.db2.gz KLTNQZXUOKDOKA-LURJTMIESA-N -1 1 351.827 2.078 20 0 FEADMM CCN(c1ccccc1F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821239343 606763371 /nfs/dbraw/zinc/76/33/71/606763371.db2.gz AVIONAJJJNBVLA-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000810516171 674548321 /nfs/dbraw/zinc/54/83/21/674548321.db2.gz HGSKLCUIAQFKCB-KRWDZBQOSA-N -1 1 356.463 2.321 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(Cc3ccccc3)CCC2)n1 ZINC000822614667 606908338 /nfs/dbraw/zinc/90/83/38/606908338.db2.gz PMACTXHZDYSLQA-UHFFFAOYSA-N -1 1 366.429 2.135 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(Cc3ccccc3)CCC2)n1 ZINC000822614667 606908339 /nfs/dbraw/zinc/90/83/39/606908339.db2.gz PMACTXHZDYSLQA-UHFFFAOYSA-N -1 1 366.429 2.135 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823484318 606988096 /nfs/dbraw/zinc/98/80/96/606988096.db2.gz VSQRQLHJOHUWFD-GHMZBOCLSA-N -1 1 359.411 2.250 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823484318 606988097 /nfs/dbraw/zinc/98/80/97/606988097.db2.gz VSQRQLHJOHUWFD-GHMZBOCLSA-N -1 1 359.411 2.250 20 0 FEADMM Cc1nc2cc(F)cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c2nc1C ZINC000822459848 607108125 /nfs/dbraw/zinc/10/81/25/607108125.db2.gz ZAENUHPLXGKHLU-UHFFFAOYSA-N -1 1 370.373 2.275 20 0 FEADMM Cc1nc2cc(F)cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c2nc1C ZINC000822459848 607108126 /nfs/dbraw/zinc/10/81/26/607108126.db2.gz ZAENUHPLXGKHLU-UHFFFAOYSA-N -1 1 370.373 2.275 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823118724 607108880 /nfs/dbraw/zinc/10/88/80/607108880.db2.gz OAVBGCXOOMVKEM-UHFFFAOYSA-N -1 1 359.396 2.221 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823118724 607108882 /nfs/dbraw/zinc/10/88/82/607108882.db2.gz OAVBGCXOOMVKEM-UHFFFAOYSA-N -1 1 359.396 2.221 20 0 FEADMM CCc1nn(CCc2ccc(F)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517595 607228674 /nfs/dbraw/zinc/22/86/74/607228674.db2.gz LNBNGAIBVCZQCM-UHFFFAOYSA-N -1 1 360.368 2.069 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2CC3(CC(F)C3)C2)c1-c1nn[n-]n1 ZINC000826231326 607806968 /nfs/dbraw/zinc/80/69/68/607806968.db2.gz GYZOGJLHFZXBTN-UHFFFAOYSA-N -1 1 374.445 2.435 20 0 FEADMM O=C(NC[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000826435035 607901116 /nfs/dbraw/zinc/90/11/16/607901116.db2.gz FEKQIKLGUHCCQP-OAHLLOKOSA-N -1 1 363.425 2.051 20 0 FEADMM O=C(NC[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826435035 607901117 /nfs/dbraw/zinc/90/11/17/607901117.db2.gz FEKQIKLGUHCCQP-OAHLLOKOSA-N -1 1 363.425 2.051 20 0 FEADMM CCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825687903 607918198 /nfs/dbraw/zinc/91/81/98/607918198.db2.gz NUOKCQQZPSAYAL-UHFFFAOYSA-N -1 1 355.402 2.034 20 0 FEADMM CCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825687903 607918199 /nfs/dbraw/zinc/91/81/99/607918199.db2.gz NUOKCQQZPSAYAL-UHFFFAOYSA-N -1 1 355.402 2.034 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCC12CCCCC2 ZINC000826495631 607976172 /nfs/dbraw/zinc/97/61/72/607976172.db2.gz VIJBRGZNMLYJIL-UHFFFAOYSA-N -1 1 365.434 2.493 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824093060 608004383 /nfs/dbraw/zinc/00/43/83/608004383.db2.gz DESFYUDJVRTSAP-JTQLQIEISA-N -1 1 363.443 2.265 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824093060 608004384 /nfs/dbraw/zinc/00/43/84/608004384.db2.gz DESFYUDJVRTSAP-JTQLQIEISA-N -1 1 363.443 2.265 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=Cc2cc(F)ccc2OC1 ZINC000826450943 608075964 /nfs/dbraw/zinc/07/59/64/608075964.db2.gz JNEZDNAMAVJLRQ-UHFFFAOYSA-N -1 1 353.313 2.126 20 0 FEADMM Cc1nn(-c2ccccc2)c(CN(C)Cc2cscn2)c1-c1nn[n-]n1 ZINC000826332437 608310425 /nfs/dbraw/zinc/31/04/25/608310425.db2.gz UKONWXASSVJZNC-UHFFFAOYSA-N -1 1 366.454 2.449 20 0 FEADMM Cc1nc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)no1 ZINC000826323716 608311598 /nfs/dbraw/zinc/31/15/98/608311598.db2.gz OTSGZSYJVWFTRM-UHFFFAOYSA-N -1 1 367.394 2.217 20 0 FEADMM Ic1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826379455 608390858 /nfs/dbraw/zinc/39/08/58/608390858.db2.gz SCEAOIASUPOBJG-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM Ic1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826379455 608390860 /nfs/dbraw/zinc/39/08/60/608390860.db2.gz SCEAOIASUPOBJG-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM Fc1ccc(Br)cc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826373529 608404834 /nfs/dbraw/zinc/40/48/34/608404834.db2.gz PRGYJGDWNNVGDQ-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Fc1ccc(Br)cc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826373529 608404836 /nfs/dbraw/zinc/40/48/36/608404836.db2.gz PRGYJGDWNNVGDQ-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)C[C@@H](C)O1 ZINC000824993414 608407891 /nfs/dbraw/zinc/40/78/91/608407891.db2.gz QSEGIDAGSKXFJH-VXGBXAGGSA-N -1 1 352.402 2.014 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)C[C@@H](C)O1 ZINC000824993414 608407892 /nfs/dbraw/zinc/40/78/92/608407892.db2.gz QSEGIDAGSKXFJH-VXGBXAGGSA-N -1 1 352.402 2.014 20 0 FEADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)cc(Cl)c1 ZINC000826503072 608422365 /nfs/dbraw/zinc/42/23/65/608422365.db2.gz PZJKOHLXDNEWPL-LLVKDONJSA-N -1 1 352.185 2.109 20 0 FEADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)cc(Cl)c1 ZINC000826503072 608422368 /nfs/dbraw/zinc/42/23/68/608422368.db2.gz PZJKOHLXDNEWPL-LLVKDONJSA-N -1 1 352.185 2.109 20 0 FEADMM OC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Br)cc1 ZINC000826508500 608445960 /nfs/dbraw/zinc/44/59/60/608445960.db2.gz QWMLIHMFNBLCNM-LBPRGKRZSA-N -1 1 361.203 2.170 20 0 FEADMM OC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC000826508500 608445961 /nfs/dbraw/zinc/44/59/61/608445961.db2.gz QWMLIHMFNBLCNM-LBPRGKRZSA-N -1 1 361.203 2.170 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000824266976 608746346 /nfs/dbraw/zinc/74/63/46/608746346.db2.gz VIOHRJRYOVKXGI-NSHDSACASA-N -1 1 361.406 2.208 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000824266976 608746349 /nfs/dbraw/zinc/74/63/49/608746349.db2.gz VIOHRJRYOVKXGI-NSHDSACASA-N -1 1 361.406 2.208 20 0 FEADMM CC(C)c1ccc(CN(C(=O)Cn2ccnc2-c2nnn[n-]2)C2CC2)cc1 ZINC000824347592 608887471 /nfs/dbraw/zinc/88/74/71/608887471.db2.gz FZSZVPPYFXLPPM-UHFFFAOYSA-N -1 1 365.441 2.378 20 0 FEADMM CC(C)c1ccc(CN(C(=O)Cn2ccnc2-c2nn[n-]n2)C2CC2)cc1 ZINC000824347592 608887474 /nfs/dbraw/zinc/88/74/74/608887474.db2.gz FZSZVPPYFXLPPM-UHFFFAOYSA-N -1 1 365.441 2.378 20 0 FEADMM C[C@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824867684 609257274 /nfs/dbraw/zinc/25/72/74/609257274.db2.gz QKDTUWWRGOPWIW-RYUDHWBXSA-N -1 1 374.493 2.025 20 0 FEADMM C[C@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824867684 609257276 /nfs/dbraw/zinc/25/72/76/609257276.db2.gz QKDTUWWRGOPWIW-RYUDHWBXSA-N -1 1 374.493 2.025 20 0 FEADMM CCOC(=O)CN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000825517420 609281082 /nfs/dbraw/zinc/28/10/82/609281082.db2.gz CZTXTMZJZXJKGQ-AWEZNQCLSA-N -1 1 366.425 2.388 20 0 FEADMM CCOC(=O)CN(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000825517420 609281084 /nfs/dbraw/zinc/28/10/84/609281084.db2.gz CZTXTMZJZXJKGQ-AWEZNQCLSA-N -1 1 366.425 2.388 20 0 FEADMM Cc1nn(-c2ccccc2)c(CSc2cccnn2)c1-c1nn[n-]n1 ZINC000826332761 609310305 /nfs/dbraw/zinc/31/03/05/609310305.db2.gz GZIZWLVHYLREDM-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM O=S(=O)(Oc1ccc2ccncc2c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826493684 609315712 /nfs/dbraw/zinc/31/57/12/609315712.db2.gz XILFHQUPZYUCFV-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=C(NOC1CCCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826449744 609359676 /nfs/dbraw/zinc/35/96/76/609359676.db2.gz IBMNKPWSRCSECF-UHFFFAOYSA-N -1 1 372.364 2.187 20 0 FEADMM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824875317 609360884 /nfs/dbraw/zinc/36/08/84/609360884.db2.gz LJZYCGAENCLDEI-GHMZBOCLSA-N -1 1 370.392 2.454 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825120264 609372330 /nfs/dbraw/zinc/37/23/30/609372330.db2.gz JBPCBPXTZMFXAL-GFCCVEGCSA-N -1 1 371.372 2.299 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825120264 609372332 /nfs/dbraw/zinc/37/23/32/609372332.db2.gz JBPCBPXTZMFXAL-GFCCVEGCSA-N -1 1 371.372 2.299 20 0 FEADMM Cc1onc(CC(=O)Nc2cnc(-c3ccccc3)s2)c1-c1nnn[n-]1 ZINC000826348776 609469238 /nfs/dbraw/zinc/46/92/38/609469238.db2.gz DJYYNCOBGIYUQB-UHFFFAOYSA-N -1 1 367.394 2.468 20 0 FEADMM Cc1onc(CC(=O)Nc2cnc(-c3ccccc3)s2)c1-c1nn[n-]n1 ZINC000826348776 609469240 /nfs/dbraw/zinc/46/92/40/609469240.db2.gz DJYYNCOBGIYUQB-UHFFFAOYSA-N -1 1 367.394 2.468 20 0 FEADMM Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000826325181 609505599 /nfs/dbraw/zinc/50/55/99/609505599.db2.gz PVUMYIVWGBWVOA-JTQLQIEISA-N -1 1 359.415 2.377 20 0 FEADMM Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000826325181 609505600 /nfs/dbraw/zinc/50/56/00/609505600.db2.gz PVUMYIVWGBWVOA-JTQLQIEISA-N -1 1 359.415 2.377 20 0 FEADMM CC(C)(C)OC(=O)N1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824104674 609551630 /nfs/dbraw/zinc/55/16/30/609551630.db2.gz WHSJJOMLGBMLLI-UHFFFAOYSA-N -1 1 357.827 2.339 20 0 FEADMM CC(C)(C)OC(=O)N1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824104674 609551632 /nfs/dbraw/zinc/55/16/32/609551632.db2.gz WHSJJOMLGBMLLI-UHFFFAOYSA-N -1 1 357.827 2.339 20 0 FEADMM COCC[C@@H](Cc1ccco1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826154780 609588537 /nfs/dbraw/zinc/58/85/37/609588537.db2.gz XVWAOXZGJPCZAW-LBPRGKRZSA-N -1 1 365.397 2.463 20 0 FEADMM COCC[C@@H](Cc1ccco1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826154780 609588539 /nfs/dbraw/zinc/58/85/39/609588539.db2.gz XVWAOXZGJPCZAW-LBPRGKRZSA-N -1 1 365.397 2.463 20 0 FEADMM CCc1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810694065 674557332 /nfs/dbraw/zinc/55/73/32/674557332.db2.gz ZNHLHLZZGRKHGG-SFHVURJKSA-N -1 1 370.490 2.408 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCc2cncs2)o1 ZINC000811117872 674579386 /nfs/dbraw/zinc/57/93/86/674579386.db2.gz HEUYSIDUKJZKSL-UHFFFAOYSA-N -1 1 358.441 2.212 20 0 FEADMM C[C@@H](CC(F)(F)F)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811904262 674637720 /nfs/dbraw/zinc/63/77/20/674637720.db2.gz XCJZEHYZSUOCPG-DTWKUNHWSA-N -1 1 363.302 2.427 20 0 FEADMM C[C@H](CC(F)(F)F)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811904264 674637879 /nfs/dbraw/zinc/63/78/79/674637879.db2.gz XCJZEHYZSUOCPG-RKDXNWHRSA-N -1 1 363.302 2.427 20 0 FEADMM CCOC(=O)C1(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCC1 ZINC000813149754 674724363 /nfs/dbraw/zinc/72/43/63/674724363.db2.gz XDJMTQVONIOVPE-UHFFFAOYSA-N -1 1 368.455 2.422 20 0 FEADMM CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000813725467 674774696 /nfs/dbraw/zinc/77/46/96/674774696.db2.gz LHNLXHQAPQSOMI-LLVKDONJSA-N -1 1 356.806 2.405 20 0 FEADMM O=S(=O)(CC1CC(F)(F)C1)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000562776467 674806015 /nfs/dbraw/zinc/80/60/15/674806015.db2.gz FVVAHXTXHJKCSK-UHFFFAOYSA-N -1 1 371.365 2.062 20 0 FEADMM O=S(=O)(CC1CC(F)(F)C1)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000562776467 674806018 /nfs/dbraw/zinc/80/60/18/674806018.db2.gz FVVAHXTXHJKCSK-UHFFFAOYSA-N -1 1 371.365 2.062 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCOc3cccc(C)c32)o1 ZINC000814035940 674813190 /nfs/dbraw/zinc/81/31/90/674813190.db2.gz ZRTCSBBDTIFIDB-LBPRGKRZSA-N -1 1 351.380 2.177 20 0 FEADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cn(C)nc2C)c1C ZINC000562891030 674819966 /nfs/dbraw/zinc/81/99/66/674819966.db2.gz HRGDNANFTPJQDD-UHFFFAOYSA-N -1 1 357.819 2.278 20 0 FEADMM CC(=O)c1cccc(NC(C)=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1 ZINC000814344363 674832705 /nfs/dbraw/zinc/83/27/05/674832705.db2.gz HSCLCZRPDBOMFO-RVDMUPIBSA-N -1 1 359.451 2.474 20 0 FEADMM CCN(CCOC)c1cccc(CSc2nc(C(=O)OC)c[n-]2)n1 ZINC000563782506 674938796 /nfs/dbraw/zinc/93/87/96/674938796.db2.gz XJLJMLOPUBFXBO-UHFFFAOYSA-N -1 1 350.444 2.356 20 0 FEADMM C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)C(C)(F)F ZINC000815493428 674954162 /nfs/dbraw/zinc/95/41/62/674954162.db2.gz HTDQMEJGZRKLHR-QMMMGPOBSA-N -1 1 365.279 2.379 20 0 FEADMM CNS(=O)(=O)c1cc(NCc2c[nH]nc2-c2ccccc2)ccc1[O-] ZINC000564258612 674988559 /nfs/dbraw/zinc/98/85/59/674988559.db2.gz XGPLRTNUIPHKNM-UHFFFAOYSA-N -1 1 358.423 2.303 20 0 FEADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c1 ZINC000564501822 675029032 /nfs/dbraw/zinc/02/90/32/675029032.db2.gz AZTAYUGXXRHVKC-UHFFFAOYSA-N -1 1 368.842 2.315 20 0 FEADMM COC(=O)[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000007330320 669967795 /nfs/dbraw/zinc/96/77/95/669967795.db2.gz MDUDCAAFISFEMV-GFCCVEGCSA-N -1 1 363.391 2.206 20 0 FEADMM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc21 ZINC000026542763 670071508 /nfs/dbraw/zinc/07/15/08/670071508.db2.gz HGECMDHPAYYJFU-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000032629856 670130905 /nfs/dbraw/zinc/13/09/05/670130905.db2.gz PVGDKMMAKQYRJV-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM CC(C)COCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000033226398 670135267 /nfs/dbraw/zinc/13/52/67/670135267.db2.gz JZDIHJGVYHHVJE-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2Cl)o1 ZINC000042263956 670160551 /nfs/dbraw/zinc/16/05/51/670160551.db2.gz KEORBPURVNMTNS-UHFFFAOYSA-N -1 1 359.787 2.077 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2coc(-c3ccccc3)n2)o1 ZINC000042264154 670160613 /nfs/dbraw/zinc/16/06/13/670160613.db2.gz JPUMELMMRAFXEP-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM CC(C)c1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ncc2Cl)s1 ZINC000816843274 675082214 /nfs/dbraw/zinc/08/22/14/675082214.db2.gz VXIKJFUQIUCPFJ-UHFFFAOYSA-N -1 1 360.848 2.366 20 0 FEADMM COC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000044475984 670191294 /nfs/dbraw/zinc/19/12/94/670191294.db2.gz OTJQIDIDEWVVCW-SSDOTTSWSA-N -1 1 357.657 2.058 20 0 FEADMM CCC(CC)NC(=O)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801819 670195609 /nfs/dbraw/zinc/19/56/09/670195609.db2.gz AYUQFVIQKVKUHQ-NSHDSACASA-N -1 1 357.476 2.172 20 0 FEADMM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000565057712 675090981 /nfs/dbraw/zinc/09/09/81/675090981.db2.gz JPYAZCIRMTUEPT-UHFFFAOYSA-N -1 1 370.833 2.496 20 0 FEADMM CC(C)c1ccc(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)c(O)c1 ZINC000052079044 670308380 /nfs/dbraw/zinc/30/83/80/670308380.db2.gz IQINEEXRYLYKTL-UHFFFAOYSA-N -1 1 362.407 2.195 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)c1Cl ZINC000053693906 670326285 /nfs/dbraw/zinc/32/62/85/670326285.db2.gz UWUWOUDWNKNOMN-NSHDSACASA-N -1 1 359.810 2.405 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4oc(=O)ccc4c3)cc2o1 ZINC000054294212 670334558 /nfs/dbraw/zinc/33/45/58/670334558.db2.gz NSTCITJKTVVRGF-UHFFFAOYSA-N -1 1 358.331 2.028 20 0 FEADMM COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000055284542 670349291 /nfs/dbraw/zinc/34/92/91/670349291.db2.gz FABHXZFVIHSCQP-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM CCOC(=O)CN(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000063519777 670407890 /nfs/dbraw/zinc/40/78/90/670407890.db2.gz RLZWFGCMWQVGAC-UHFFFAOYSA-N -1 1 362.455 2.328 20 0 FEADMM CCn1c(CNC(=O)c2nnn(-c3cccc(C)c3)c2C)n[n-]c1=S ZINC000066636006 670445430 /nfs/dbraw/zinc/44/54/30/670445430.db2.gz AVLRCEPSDJQAAI-UHFFFAOYSA-N -1 1 357.443 2.088 20 0 FEADMM C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638433 670445649 /nfs/dbraw/zinc/44/56/49/670445649.db2.gz SSMSDWXXDQFOJU-NSHDSACASA-N -1 1 365.503 2.367 20 0 FEADMM O=C(COCCOc1ccccc1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079482 670452821 /nfs/dbraw/zinc/45/28/21/670452821.db2.gz CEFHGLBGOZNQHS-UHFFFAOYSA-N -1 1 362.455 2.030 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@@H](C)OC[C@H]2CCCCO2)n[n-]c1=S ZINC000067074984 670452897 /nfs/dbraw/zinc/45/28/97/670452897.db2.gz NNFOUGLONKBMFV-CHWSQXEVSA-N -1 1 356.492 2.154 20 0 FEADMM COC(=O)Nc1cccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067079666 670453438 /nfs/dbraw/zinc/45/34/38/670453438.db2.gz UWFRHPZXPQYMEJ-UHFFFAOYSA-N -1 1 361.427 2.426 20 0 FEADMM CN(CCOc1ccc(Cl)cc1)CC(=O)N[N-]C(=O)c1cccs1 ZINC000067127559 670454207 /nfs/dbraw/zinc/45/42/07/670454207.db2.gz OBDQGICSTDBXCE-UHFFFAOYSA-N -1 1 367.858 2.173 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NCc2ccc(CN(C)C)c(F)c2)s[n-]1 ZINC000569157429 670517765 /nfs/dbraw/zinc/51/77/65/670517765.db2.gz OQSATFYMFGCXDS-JTQLQIEISA-N -1 1 367.450 2.190 20 0 FEADMM Cc1nn(C)cc1CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817292598 675118261 /nfs/dbraw/zinc/11/82/61/675118261.db2.gz IFSPYPBJRQKPTE-AWEZNQCLSA-N -1 1 352.360 2.338 20 0 FEADMM O=S(=O)([N-]CC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1F ZINC000569523188 670572710 /nfs/dbraw/zinc/57/27/10/670572710.db2.gz IBOMMRNNCIOOKQ-GFCCVEGCSA-N -1 1 355.362 2.473 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1)C1CC1 ZINC000565477267 675125017 /nfs/dbraw/zinc/12/50/17/675125017.db2.gz HDGLWBWYJATUDE-DOMZBBRYSA-N -1 1 365.455 2.066 20 0 FEADMM CCc1noc(CCCC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)n1 ZINC000082991316 670653178 /nfs/dbraw/zinc/65/31/78/670653178.db2.gz XETGNQDRODMYTG-UHFFFAOYSA-N -1 1 354.769 2.208 20 0 FEADMM O=C([N-]CCC[S@](=O)c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000091537774 670728884 /nfs/dbraw/zinc/72/88/84/670728884.db2.gz MWNXXNAQGZIERN-HSZRJFAPSA-N -1 1 351.346 2.024 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccncc2)ccc1Br ZINC000105565193 670803749 /nfs/dbraw/zinc/80/37/49/670803749.db2.gz AQSNLXOYCVEXNL-UHFFFAOYSA-N -1 1 371.212 2.432 20 0 FEADMM CCc1nc(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)cs1 ZINC000107190256 670818008 /nfs/dbraw/zinc/81/80/08/670818008.db2.gz DXPFQJBQGSNGJU-UHFFFAOYSA-N -1 1 353.469 2.495 20 0 FEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000109424134 670841991 /nfs/dbraw/zinc/84/19/91/670841991.db2.gz MFZDAQCMYKMHRR-UHFFFAOYSA-N -1 1 372.443 2.096 20 0 FEADMM CCCCOc1ccc(CC[N-]S(=O)(=O)c2c(C)onc2N)cc1 ZINC000571327837 670856542 /nfs/dbraw/zinc/85/65/42/670856542.db2.gz HRJAPHLIKIGUKZ-UHFFFAOYSA-N -1 1 353.444 2.265 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc[nH]c2=O)cc1 ZINC000116302931 670904542 /nfs/dbraw/zinc/90/45/42/670904542.db2.gz JOPLITJZQRKLSN-UHFFFAOYSA-N -1 1 357.395 2.356 20 0 FEADMM Cc1oc([C@H](C)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C(=O)[O-] ZINC000573259253 671100593 /nfs/dbraw/zinc/10/05/93/671100593.db2.gz OVLMJFNHFLVVFL-LBPRGKRZSA-N -1 1 370.471 2.237 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)s1 ZINC000573389233 671116902 /nfs/dbraw/zinc/11/69/02/671116902.db2.gz HYXQLDWNQWVZJM-UHFFFAOYSA-N -1 1 371.337 2.363 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cn1cnc2ccccc21 ZINC000573589067 671140428 /nfs/dbraw/zinc/14/04/28/671140428.db2.gz TZLVUPDMNQQBPC-UHFFFAOYSA-N -1 1 362.386 2.186 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C(C)=O)c2)o1 ZINC000574769862 671275884 /nfs/dbraw/zinc/27/58/84/671275884.db2.gz CRQGIPXFXOYFAQ-UHFFFAOYSA-N -1 1 351.380 2.137 20 0 FEADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)c1C ZINC000574830725 671280094 /nfs/dbraw/zinc/28/00/94/671280094.db2.gz KAFKYCAHQNYGLV-UHFFFAOYSA-N -1 1 359.407 2.349 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)N[C@H]2CCc3[nH]cnc3C2)s[n-]1 ZINC000575928362 671331701 /nfs/dbraw/zinc/33/17/01/671331701.db2.gz ITICTTQVHNLGFY-VIFPVBQESA-N -1 1 360.468 2.399 20 0 FEADMM Cc1csc(N(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000576013458 671337791 /nfs/dbraw/zinc/33/77/91/671337791.db2.gz VPYIDDQJCDLENQ-UHFFFAOYSA-N -1 1 355.423 2.111 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000576139915 671346791 /nfs/dbraw/zinc/34/67/91/671346791.db2.gz SNEHUCISLMQDFT-UHFFFAOYSA-N -1 1 371.846 2.467 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(C)nc2)o1 ZINC000576436246 671368527 /nfs/dbraw/zinc/36/85/27/671368527.db2.gz SQFDVAVSGQTLPF-UHFFFAOYSA-N -1 1 352.412 2.373 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1ccc(Br)o1 ZINC000576616416 671382312 /nfs/dbraw/zinc/38/23/12/671382312.db2.gz DLMXJLZQWIFUJA-SECBINFHSA-N -1 1 358.213 2.497 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(F)c1Br ZINC000576997235 671409856 /nfs/dbraw/zinc/40/98/56/671409856.db2.gz QSNYQWABGBTKMO-UHFFFAOYSA-N -1 1 354.183 2.301 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)o1 ZINC000609351985 675919573 /nfs/dbraw/zinc/91/95/73/675919573.db2.gz IDTMFCPUNIXUSS-GFCCVEGCSA-N -1 1 369.370 2.398 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccc(F)cc3C)no2)o1 ZINC000577574798 671605442 /nfs/dbraw/zinc/60/54/42/671605442.db2.gz VUCMYOYUJKHERT-UHFFFAOYSA-N -1 1 351.359 2.276 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c(C)o1 ZINC000577904997 671627701 /nfs/dbraw/zinc/62/77/01/671627701.db2.gz IKVAAHZWHCYCGH-UHFFFAOYSA-N -1 1 359.350 2.445 20 0 FEADMM COC(=O)C1CCN(C(=O)[C@@H](Sc2ncc(C)c(=O)[n-]2)C(C)C)CC1 ZINC000578207393 671648733 /nfs/dbraw/zinc/64/87/33/671648733.db2.gz WDVVQNUPKCYKNN-ZDUSSCGKSA-N -1 1 367.471 2.019 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnc(CC(C)C)nc2)CCCC1 ZINC000579538171 671742899 /nfs/dbraw/zinc/74/28/99/671742899.db2.gz AHKWRFCCKDGRBI-UHFFFAOYSA-N -1 1 355.460 2.150 20 0 FEADMM Cc1csc([C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C2CC2)n1 ZINC000580427797 671806331 /nfs/dbraw/zinc/80/63/31/671806331.db2.gz PRUZMJGCBSSNFO-SECBINFHSA-N -1 1 359.454 2.036 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(F)F ZINC000581292038 671881764 /nfs/dbraw/zinc/88/17/64/671881764.db2.gz OSFRBSHUVGJSOQ-KGLIPLIRSA-N -1 1 360.426 2.254 20 0 FEADMM O=C(c1cnc(-c2cccnc2)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000581544556 671909619 /nfs/dbraw/zinc/90/96/19/671909619.db2.gz APGCBAMIQPWELF-UHFFFAOYSA-N -1 1 357.395 2.314 20 0 FEADMM Cn1[n-]c(CN2CCc3nc(-c4ccccc4Cl)sc3C2)nc1=O ZINC000581631008 671919740 /nfs/dbraw/zinc/91/97/40/671919740.db2.gz LERZJRBHHDNNKP-UHFFFAOYSA-N -1 1 361.858 2.444 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CCc1ccc(Cl)s1 ZINC000123248302 671977346 /nfs/dbraw/zinc/97/73/46/671977346.db2.gz NATCMKKZWKLQAX-UHFFFAOYSA-N -1 1 366.830 2.159 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000610390592 675968783 /nfs/dbraw/zinc/96/87/83/675968783.db2.gz SNWVADVNDQIDBV-ZDUSSCGKSA-N -1 1 365.183 2.194 20 0 FEADMM Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000582671177 672023967 /nfs/dbraw/zinc/02/39/67/672023967.db2.gz IYYBNRQMLGASEP-UHFFFAOYSA-N -1 1 368.459 2.053 20 0 FEADMM COCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000583254366 672078083 /nfs/dbraw/zinc/07/80/83/672078083.db2.gz FYASGLFQCFFORB-UHFFFAOYSA-N -1 1 373.456 2.212 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cnn3ccccc23)c(=O)[n-]1 ZINC000583828372 672130035 /nfs/dbraw/zinc/13/00/35/672130035.db2.gz CLOGINKYMBLJMW-UHFFFAOYSA-N -1 1 357.439 2.109 20 0 FEADMM Cn1c(=O)c2ccsc2nc1SCCC[N-]C(=O)C(F)(F)F ZINC000151741809 672168599 /nfs/dbraw/zinc/16/85/99/672168599.db2.gz JPDHUQSUZUDQPE-UHFFFAOYSA-N -1 1 351.375 2.156 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@@H](O)C2(CC2)C1 ZINC000584263878 672170722 /nfs/dbraw/zinc/17/07/22/672170722.db2.gz VDZQRHQSHPFGTJ-GFCCVEGCSA-N -1 1 363.211 2.300 20 0 FEADMM COC(=O)[C@@H](CN=c1nc(C(C)C)[n-]s1)Cc1ccc(O)c(F)c1 ZINC000584403754 672184602 /nfs/dbraw/zinc/18/46/02/672184602.db2.gz MEJDUWYLBLZFES-LLVKDONJSA-N -1 1 353.419 2.372 20 0 FEADMM CS(=O)(=O)Nc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1F ZINC000584747831 672211892 /nfs/dbraw/zinc/21/18/92/672211892.db2.gz XEJXUFJSLJFKON-UHFFFAOYSA-N -1 1 360.313 2.433 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Nc1ccccc1 ZINC000171106750 672329446 /nfs/dbraw/zinc/32/94/46/672329446.db2.gz SZCOQKKDJTXAAO-UHFFFAOYSA-N -1 1 360.222 2.305 20 0 FEADMM O=C([N-]O[C@H]1CCCCO1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175989327 672371967 /nfs/dbraw/zinc/37/19/67/672371967.db2.gz VVQWAMVDUZVTFI-ZDUSSCGKSA-N -1 1 367.199 2.479 20 0 FEADMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178791344 672395354 /nfs/dbraw/zinc/39/53/54/672395354.db2.gz KCZZWXUZGNTOMS-JGVFFNPUSA-N -1 1 371.684 2.183 20 0 FEADMM COC1(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCC1 ZINC000180380635 672413403 /nfs/dbraw/zinc/41/34/03/672413403.db2.gz FSPFDNCQJSQNCH-UHFFFAOYSA-N -1 1 369.668 2.345 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cccc1N(C)C ZINC000181154351 672422753 /nfs/dbraw/zinc/42/27/53/672422753.db2.gz FFGQMRSRLCBLMW-UHFFFAOYSA-N -1 1 361.423 2.307 20 0 FEADMM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000588006397 672444633 /nfs/dbraw/zinc/44/46/33/672444633.db2.gz HGCHGGJUERNBIM-UHFFFAOYSA-N -1 1 357.757 2.108 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1Br)C(C)C ZINC000588108399 672450292 /nfs/dbraw/zinc/45/02/92/672450292.db2.gz JRYPLDHHGQKEBF-LBPRGKRZSA-N -1 1 364.261 2.066 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c(F)c1 ZINC000588678688 672470850 /nfs/dbraw/zinc/47/08/50/672470850.db2.gz SKMKUSAEZDDHET-LLVKDONJSA-N -1 1 355.362 2.255 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(NC(C)=O)cc2)c(F)c1 ZINC000588675774 672470988 /nfs/dbraw/zinc/47/09/88/672470988.db2.gz SAUFMNLVKCMRQM-UHFFFAOYSA-N -1 1 370.377 2.410 20 0 FEADMM CSc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)ccn1 ZINC000611231298 676026959 /nfs/dbraw/zinc/02/69/59/676026959.db2.gz HHCOSETWDZTYQO-UHFFFAOYSA-N -1 1 372.493 2.316 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2(C)CCOCC2)c1 ZINC000588696097 672472696 /nfs/dbraw/zinc/47/26/96/672472696.db2.gz KCKYNNOQNXUJGL-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cccc(Br)c2C)n[nH]1 ZINC000184783671 672507170 /nfs/dbraw/zinc/50/71/70/672507170.db2.gz MVAUEELZSXDFRA-UHFFFAOYSA-N -1 1 352.192 2.256 20 0 FEADMM Cc1cc(S(=O)(=O)N(CCN(C)C)C2CCCC2)cc(C(=O)[O-])c1C ZINC000185112546 672519244 /nfs/dbraw/zinc/51/92/44/672519244.db2.gz ADKIVMHEYKNCGV-UHFFFAOYSA-N -1 1 368.499 2.497 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2c(F)cc(Br)cc2F)n[nH]1 ZINC000186212714 672543446 /nfs/dbraw/zinc/54/34/46/672543446.db2.gz GRVVMGZKAMARJB-UHFFFAOYSA-N -1 1 374.145 2.225 20 0 FEADMM COc1cccc(S(=O)(=O)Nc2c(OC)cc(OC)cc2C(=O)[O-])c1 ZINC000589939395 672549141 /nfs/dbraw/zinc/54/91/41/672549141.db2.gz AVEQNHJMLQBMST-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187119198 672562581 /nfs/dbraw/zinc/56/25/81/672562581.db2.gz WRRIXSKPEWIEAZ-NSHDSACASA-N -1 1 372.164 2.466 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cnnn1-c1ccccc1Cl ZINC000590496302 672585566 /nfs/dbraw/zinc/58/55/66/672585566.db2.gz OJJUKUJUKXNXJD-UHFFFAOYSA-N -1 1 357.683 2.310 20 0 FEADMM O=C(CNC(=O)c1ccc(Br)o1)Nc1nc(Cl)ccc1[O-] ZINC000188351041 672589458 /nfs/dbraw/zinc/58/94/58/672589458.db2.gz FKFUNVZMVMKSNF-UHFFFAOYSA-N -1 1 374.578 2.165 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1CCOC1 ZINC000680640834 672595359 /nfs/dbraw/zinc/59/53/59/672595359.db2.gz CPSVJCPIEZYJAP-HNNXBMFYSA-N -1 1 361.423 2.398 20 0 FEADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681017132 672621755 /nfs/dbraw/zinc/62/17/55/672621755.db2.gz VINKANDSXYJZFW-UHFFFAOYSA-N -1 1 352.387 2.472 20 0 FEADMM Cc1cc(Br)cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000681047272 672624535 /nfs/dbraw/zinc/62/45/35/672624535.db2.gz LBUACHUCMPGOMP-UHFFFAOYSA-N -1 1 350.220 2.470 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc(CN3CCC[C@@H](C)C3)cs2)on1 ZINC000611485985 676039676 /nfs/dbraw/zinc/03/96/76/676039676.db2.gz JFVZKUMRBHZAFG-SNVBAGLBSA-N -1 1 364.427 2.402 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000191818351 672675452 /nfs/dbraw/zinc/67/54/52/672675452.db2.gz VKVYHRNYMKXLBR-MDZDMXLPSA-N -1 1 350.371 2.349 20 0 FEADMM O=C(NCC(F)(F)F)N[N-]C(=O)c1cccc(Br)c1F ZINC000192085242 672681771 /nfs/dbraw/zinc/68/17/71/672681771.db2.gz ZTBGPLMIBBANOC-UHFFFAOYSA-N -1 1 358.089 2.095 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1F ZINC000591490436 672686848 /nfs/dbraw/zinc/68/68/48/672686848.db2.gz XXVAZGMXLACFAI-UHFFFAOYSA-N -1 1 369.418 2.363 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1[N-]S(C)(=O)=O ZINC000681772785 672695639 /nfs/dbraw/zinc/69/56/39/672695639.db2.gz YCTOUKSJGZAVLV-BXUZGUMPSA-N -1 1 353.444 2.473 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCCc3c2cnn3CCO)cc(Cl)c1[O-] ZINC000682386046 672752057 /nfs/dbraw/zinc/75/20/57/672752057.db2.gz SPBAPTMNODMSND-ZDUSSCGKSA-N -1 1 365.817 2.050 20 0 FEADMM Cc1ccc(S(=O)(=O)N(CCN(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000237115548 672806852 /nfs/dbraw/zinc/80/68/52/672806852.db2.gz STDNDCBXQJBMLZ-UHFFFAOYSA-N -1 1 354.472 2.188 20 0 FEADMM CC(C)OC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000593122152 672879194 /nfs/dbraw/zinc/87/91/94/672879194.db2.gz MRSDJJRDUZPOPX-UHFFFAOYSA-N -1 1 372.487 2.386 20 0 FEADMM O=C1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)N1 ZINC000683952191 672888626 /nfs/dbraw/zinc/88/86/26/672888626.db2.gz QAKZRABZBDRXKN-MRVPVSSYSA-N -1 1 370.780 2.306 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)/C=C\SCc1ccco1 ZINC000255767845 672897029 /nfs/dbraw/zinc/89/70/29/672897029.db2.gz FHTXEIFFYFQPEC-ALCCZGGFSA-N -1 1 358.423 2.296 20 0 FEADMM CSCC[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000593250965 672898462 /nfs/dbraw/zinc/89/84/62/672898462.db2.gz ILARAJKAHCBCBC-QMMMGPOBSA-N -1 1 359.803 2.103 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CN(C)CCO1 ZINC000684762547 672963759 /nfs/dbraw/zinc/96/37/59/672963759.db2.gz HZDLGCGZTVDDOO-PRHODGIISA-N -1 1 371.261 2.130 20 0 FEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000593634538 672965937 /nfs/dbraw/zinc/96/59/37/672965937.db2.gz WEXHBNZJQUKSEQ-LLVKDONJSA-N -1 1 358.218 2.314 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCC(=O)c2ccc(Cl)cn2)[n-]1 ZINC000593900407 673006098 /nfs/dbraw/zinc/00/60/98/673006098.db2.gz DZVFECCTAJATEF-UHFFFAOYSA-N -1 1 350.762 2.236 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCC(=O)c2ccc(Cl)cn2)n1 ZINC000593900407 673006100 /nfs/dbraw/zinc/00/61/00/673006100.db2.gz DZVFECCTAJATEF-UHFFFAOYSA-N -1 1 350.762 2.236 20 0 FEADMM CCC1(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCC1 ZINC000311851280 673027946 /nfs/dbraw/zinc/02/79/46/673027946.db2.gz VZFIVXMWMUUEDW-UHFFFAOYSA-N -1 1 350.282 2.350 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC2C(C)(C)C2(C)C)c(Br)n1C ZINC000313582905 673030186 /nfs/dbraw/zinc/03/01/86/673030186.db2.gz XXBCUNULDZQGKR-UHFFFAOYSA-N -1 1 364.309 2.452 20 0 FEADMM COc1cccc([C@H](CNC(=O)N(CC(=O)[O-])CC(C)C)N(C)C)c1 ZINC000327460603 673060219 /nfs/dbraw/zinc/06/02/19/673060219.db2.gz ZQIXOOCVNNOGLH-INIZCTEOSA-N -1 1 351.447 2.050 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)c1F ZINC000594464543 673077167 /nfs/dbraw/zinc/07/71/67/673077167.db2.gz PXVNOCQTKGRGIC-WCBMZHEXSA-N -1 1 365.810 2.112 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)cn1 ZINC000594706735 673120690 /nfs/dbraw/zinc/12/06/90/673120690.db2.gz WDWRTUMLILWECP-HNNXBMFYSA-N -1 1 356.444 2.205 20 0 FEADMM COC[C@H](C)Cc1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000351448682 673140477 /nfs/dbraw/zinc/14/04/77/673140477.db2.gz BTWAGJNCCIVPJM-SNVBAGLBSA-N -1 1 357.432 2.231 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1ccccc1F)C(C)C ZINC000594830019 673154509 /nfs/dbraw/zinc/15/45/09/673154509.db2.gz CTZGLLUKBJVOGW-CQSZACIVSA-N -1 1 369.418 2.401 20 0 FEADMM Cc1sc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1C(=O)[O-] ZINC000390531734 673159879 /nfs/dbraw/zinc/15/98/79/673159879.db2.gz YXTCOCDSEKXTJP-OAHLLOKOSA-N -1 1 361.467 2.853 20 0 FEADMM CCc1nc(S[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)[n-]c(=O)c1C ZINC000594903690 673177244 /nfs/dbraw/zinc/17/72/44/673177244.db2.gz NUDYZRLSSQDXRH-LBPRGKRZSA-N -1 1 367.471 2.088 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)COc2cccc(C)c2)cc1C ZINC000595301601 673218933 /nfs/dbraw/zinc/21/89/33/673218933.db2.gz FMCBXVXKRVHBSS-ZDUSSCGKSA-N -1 1 367.423 2.429 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2nc3cc(C)ccc3[nH]2)cc1C ZINC000595311842 673221215 /nfs/dbraw/zinc/22/12/15/673221215.db2.gz GHIHBXKUAMVIQI-UHFFFAOYSA-N -1 1 363.395 2.038 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2nc3ccc(C)cc3[nH]2)cc1C ZINC000595311842 673221220 /nfs/dbraw/zinc/22/12/20/673221220.db2.gz GHIHBXKUAMVIQI-UHFFFAOYSA-N -1 1 363.395 2.038 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)cc1C ZINC000595319352 673223240 /nfs/dbraw/zinc/22/32/40/673223240.db2.gz RCCRPRSOEQTXLO-GFCCVEGCSA-N -1 1 359.444 2.248 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC)cc1O ZINC000443558202 673223765 /nfs/dbraw/zinc/22/37/65/673223765.db2.gz KYNKWGFEQXHLMI-UHFFFAOYSA-N -1 1 350.396 2.415 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)cc1C ZINC000595321916 673223962 /nfs/dbraw/zinc/22/39/62/673223962.db2.gz RRNMFPRGCOTZLA-CQSZACIVSA-N -1 1 350.396 2.199 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)cc1C ZINC000595321764 673223974 /nfs/dbraw/zinc/22/39/74/673223974.db2.gz ZAELMHGHOAEVQL-NSHDSACASA-N -1 1 371.798 2.440 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)cc1C ZINC000595328070 673225547 /nfs/dbraw/zinc/22/55/47/673225547.db2.gz RJOQQJIPIXORJP-UHFFFAOYSA-N -1 1 364.423 2.127 20 0 FEADMM CC1(C)C[C@]1(C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1 ZINC000613205812 676117221 /nfs/dbraw/zinc/11/72/21/676117221.db2.gz GNDCOVFVSAFXIG-GOSISDBHSA-N -1 1 360.435 2.346 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cccc(OC)c2C)cc1C ZINC000595392037 673240616 /nfs/dbraw/zinc/24/06/16/673240616.db2.gz FVDCXNANYRCUEN-UHFFFAOYSA-N -1 1 353.396 2.170 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(Br)c([O-])c1 ZINC000463131218 673298788 /nfs/dbraw/zinc/29/87/88/673298788.db2.gz YXINZHMKCAYHDN-MRVPVSSYSA-N -1 1 370.121 2.379 20 0 FEADMM C/C=C\C[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(=O)OCC ZINC000463228575 673301988 /nfs/dbraw/zinc/30/19/88/673301988.db2.gz CSHLKQBCOCFSBN-BSVAKKCESA-N -1 1 371.499 2.199 20 0 FEADMM CS(=O)(=O)Nc1ccc(COC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000732334065 673364100 /nfs/dbraw/zinc/36/41/00/673364100.db2.gz YPTZZFUTTOFRMR-UHFFFAOYSA-N -1 1 357.334 2.399 20 0 FEADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000732580078 673372901 /nfs/dbraw/zinc/37/29/01/673372901.db2.gz SLGAGPTXLJEEGU-NSHDSACASA-N -1 1 359.813 2.153 20 0 FEADMM Cn1cc(NC(=O)c2c(F)ccc([O-])c2F)cc(Br)c1=O ZINC000537285867 673385391 /nfs/dbraw/zinc/38/53/91/673385391.db2.gz AIVNVDHDXWFJNH-UHFFFAOYSA-N -1 1 359.126 2.384 20 0 FEADMM CCNC(=O)c1cccc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000537417276 673388633 /nfs/dbraw/zinc/38/86/33/673388633.db2.gz RVMIIKIPCUXODJ-UHFFFAOYSA-N -1 1 360.439 2.280 20 0 FEADMM COc1cccc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000733008189 673393210 /nfs/dbraw/zinc/39/32/10/673393210.db2.gz MEDGXCSSQJRCHH-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM Cc1c(Cl)cccc1OCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537850182 673411217 /nfs/dbraw/zinc/41/12/17/673411217.db2.gz WYUWXCJQJWGUQP-UHFFFAOYSA-N -1 1 370.814 2.019 20 0 FEADMM CS[C@@H](C)CCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000538000064 673416328 /nfs/dbraw/zinc/41/63/28/673416328.db2.gz KJXSYJQWISPFSH-JTQLQIEISA-N -1 1 358.485 2.303 20 0 FEADMM Cc1nc(SCC(=O)NCCOc2ccc(F)cc2)[n-]c(=O)c1C ZINC000538516831 673443870 /nfs/dbraw/zinc/44/38/70/673443870.db2.gz SQZHSNMQEQYTGT-UHFFFAOYSA-N -1 1 351.403 2.225 20 0 FEADMM COC(=O)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000539147536 673476338 /nfs/dbraw/zinc/47/63/38/673476338.db2.gz AXXLVCUOTFZLOH-UHFFFAOYSA-N -1 1 366.370 2.236 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736484205 673528085 /nfs/dbraw/zinc/52/80/85/673528085.db2.gz VKSUWMWRMPLCDO-QGZVFWFLSA-N -1 1 362.451 2.289 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000540338092 673534574 /nfs/dbraw/zinc/53/45/74/673534574.db2.gz LBFXDCYFXCMMGV-LLVKDONJSA-N -1 1 362.407 2.353 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000737022200 673547496 /nfs/dbraw/zinc/54/74/96/673547496.db2.gz NBLYAWRWRVAVND-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)CCc1ccccc1)c1cc(F)c(F)cc1F ZINC000541394069 673552526 /nfs/dbraw/zinc/55/25/26/673552526.db2.gz QIBZHDJYCFKRCK-LBPRGKRZSA-N -1 1 359.369 2.376 20 0 FEADMM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccc4c3OCO4)c1)CCC2 ZINC000542945417 673616971 /nfs/dbraw/zinc/61/69/71/673616971.db2.gz ONMUHHOGPKHEJC-UHFFFAOYSA-N -1 1 361.375 2.403 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1noc2c1COCC2 ZINC000598942915 673624029 /nfs/dbraw/zinc/62/40/29/673624029.db2.gz QJCPOHKQPSTHKD-UHFFFAOYSA-N -1 1 363.395 2.050 20 0 FEADMM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599229401 673644738 /nfs/dbraw/zinc/64/47/38/673644738.db2.gz OGQCDPGVYZXNAW-LBPRGKRZSA-N -1 1 368.411 2.290 20 0 FEADMM Cn1cnc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c1Cl ZINC000740700903 673650870 /nfs/dbraw/zinc/65/08/70/673650870.db2.gz JMCDDWXVSQVDPH-UHFFFAOYSA-N -1 1 350.183 2.226 20 0 FEADMM COc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)cc(Cl)c1[O-] ZINC000614231696 676166040 /nfs/dbraw/zinc/16/60/40/676166040.db2.gz VSZZKXOHOOENEG-UHFFFAOYSA-N -1 1 358.732 2.239 20 0 FEADMM CC[S@@](=O)CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740926179 673661502 /nfs/dbraw/zinc/66/15/02/673661502.db2.gz FEQIBINFHLBBQK-XMMPIXPASA-N -1 1 356.444 2.238 20 0 FEADMM O=C(NCc1nn[n-]n1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000599344402 673662163 /nfs/dbraw/zinc/66/21/63/673662163.db2.gz HYFDMEHHWCYHKB-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000599456109 673677480 /nfs/dbraw/zinc/67/74/80/673677480.db2.gz JDEWVSUHUICZBL-GXSJLCMTSA-N -1 1 367.876 2.038 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccc2c1COC2=O)c1nc(C(C)(C)C)no1 ZINC000742347820 673724760 /nfs/dbraw/zinc/72/47/60/673724760.db2.gz WACZWLMAUJMKNY-SECBINFHSA-N -1 1 365.411 2.077 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](OC)c3ccc(F)cc3)no2)co1 ZINC000545092765 673744553 /nfs/dbraw/zinc/74/45/53/673744553.db2.gz ZSDCKPVQEZIUGF-ZDUSSCGKSA-N -1 1 367.358 2.113 20 0 FEADMM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cc(=O)n2[n-]cnc2n1 ZINC000545385012 673764728 /nfs/dbraw/zinc/76/47/28/673764728.db2.gz SVPKYOPREMPWMK-SNVBAGLBSA-N -1 1 364.192 2.142 20 0 FEADMM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000545423685 673768158 /nfs/dbraw/zinc/76/81/58/673768158.db2.gz PPNWEIMDRXVVPN-MRVPVSSYSA-N -1 1 366.208 2.085 20 0 FEADMM O=C(NCc1nn[n-]n1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000600495874 673774346 /nfs/dbraw/zinc/77/43/46/673774346.db2.gz OJHLECJWZUPJJW-UHFFFAOYSA-N -1 1 355.583 2.027 20 0 FEADMM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCc1nn[n-]n1 ZINC000600501531 673774520 /nfs/dbraw/zinc/77/45/20/673774520.db2.gz NSQOHQMOGAXTQE-UHFFFAOYSA-N -1 1 357.801 2.291 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)cn1 ZINC000600651959 673785966 /nfs/dbraw/zinc/78/59/66/673785966.db2.gz MIPXSLHBGBZZQJ-OAHLLOKOSA-N -1 1 368.386 2.137 20 0 FEADMM CO[C@H]1C[C@@H](CNC(=O)c2ccc(I)c([O-])c2)C1 ZINC000600797438 673799496 /nfs/dbraw/zinc/79/94/96/673799496.db2.gz LLYTWUJGYDMRCV-WAAGHKOSSA-N -1 1 361.179 2.152 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000744571934 673801718 /nfs/dbraw/zinc/80/17/18/673801718.db2.gz XAMMAXUZQZXKKU-KDOFPFPSSA-N -1 1 363.435 2.135 20 0 FEADMM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000546831564 673821789 /nfs/dbraw/zinc/82/17/89/673821789.db2.gz QYGIGAYYFUAECQ-UHFFFAOYSA-N -1 1 357.801 2.270 20 0 FEADMM CCCc1ncc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)s1 ZINC000745265317 673830935 /nfs/dbraw/zinc/83/09/35/673830935.db2.gz KZVCKMVFWSDBIE-UHFFFAOYSA-N -1 1 362.407 2.218 20 0 FEADMM COC(=O)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601179169 673831354 /nfs/dbraw/zinc/83/13/54/673831354.db2.gz NOWGBXMPKVZMGP-CYBMUJFWSA-N -1 1 355.818 2.159 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000601270531 673837179 /nfs/dbraw/zinc/83/71/79/673837179.db2.gz YFZOOJGAOWJGLZ-AWEZNQCLSA-N -1 1 355.818 2.157 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CC[C@H](SC)C2)cc1[N-]S(C)(=O)=O ZINC000745898641 673856245 /nfs/dbraw/zinc/85/62/45/673856245.db2.gz YMIMHQGVSRSZOX-PWSUYJOCSA-N -1 1 373.500 2.472 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000746347948 673874030 /nfs/dbraw/zinc/87/40/30/673874030.db2.gz FVUVBWMOWXXHKT-DHZHZOJOSA-N -1 1 360.391 2.408 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2CC[C@@H](CC)O2)n[n-]1 ZINC000548722457 673990124 /nfs/dbraw/zinc/99/01/24/673990124.db2.gz SSSUKOOOZANGGL-FRRDWIJNSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2CC[C@@H](CC)O2)[n-]1 ZINC000548722457 673990127 /nfs/dbraw/zinc/99/01/27/673990127.db2.gz SSSUKOOOZANGGL-FRRDWIJNSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2CC[C@@H](CC)O2)n1 ZINC000548722457 673990131 /nfs/dbraw/zinc/99/01/31/673990131.db2.gz SSSUKOOOZANGGL-FRRDWIJNSA-N -1 1 352.435 2.142 20 0 FEADMM COc1cc(C)c(NS(=O)(=O)c2cccc3c2OCO3)c(C(=O)[O-])c1 ZINC000548860330 674001739 /nfs/dbraw/zinc/00/17/39/674001739.db2.gz BBRNRPFZWMCLGL-UHFFFAOYSA-N -1 1 365.363 2.231 20 0 FEADMM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2c(C)[n-][nH]c2=O)s1 ZINC000615222597 676207638 /nfs/dbraw/zinc/20/76/38/676207638.db2.gz SSCZSNQRAYWFAQ-NSHDSACASA-N -1 1 358.427 2.344 20 0 FEADMM Cc1[nH]nc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1Br ZINC000567333182 675284780 /nfs/dbraw/zinc/28/47/80/675284780.db2.gz SICWDVLQFNAAIN-UHFFFAOYSA-N -1 1 374.216 2.053 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)C[C@H](O)c2ccccc2)c(F)c1 ZINC000819878261 675318018 /nfs/dbraw/zinc/31/80/18/675318018.db2.gz MLSBODJJKAMVMT-BBRMVZONSA-N -1 1 371.405 2.036 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)c(F)c1 ZINC000819881558 675318656 /nfs/dbraw/zinc/31/86/56/675318656.db2.gz KEQDWGLGYIURPP-UKRRQHHQSA-N -1 1 355.362 2.046 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2ncc(Cl)n2C)c1 ZINC000820486140 675365221 /nfs/dbraw/zinc/36/52/21/675365221.db2.gz GIXMWEUFCBPRFJ-WYVULQQZSA-N -1 1 356.831 2.494 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCC1CCCCC1 ZINC000820513056 675366971 /nfs/dbraw/zinc/36/69/71/675366971.db2.gz SYPDXFJULYZTCP-JTQLQIEISA-N -1 1 363.443 2.170 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCC1CCCCC1 ZINC000820513056 675366973 /nfs/dbraw/zinc/36/69/73/675366973.db2.gz SYPDXFJULYZTCP-JTQLQIEISA-N -1 1 363.443 2.170 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000820632418 675375449 /nfs/dbraw/zinc/37/54/49/675375449.db2.gz LPRWANULTPZECJ-BZQUYTCOSA-N -1 1 368.451 2.074 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]([C@@H]2CCOC2)C(F)(F)F)c1 ZINC000820705084 675380379 /nfs/dbraw/zinc/38/03/79/675380379.db2.gz LXIJZWOBTCVGIE-QXNRSCLUSA-N -1 1 366.357 2.313 20 0 FEADMM COc1ccc(C(C)=O)c(OS(=O)(=O)c2c[n-]nc2C(F)(F)F)c1 ZINC000820743672 675384229 /nfs/dbraw/zinc/38/42/29/675384229.db2.gz KLSBRZLZOJSCJF-UHFFFAOYSA-N -1 1 364.301 2.407 20 0 FEADMM O=C(COC(=O)C(F)=C1CCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000821385994 675431919 /nfs/dbraw/zinc/43/19/19/675431919.db2.gz DPSKMRWAHQJNGY-UHFFFAOYSA-N -1 1 357.284 2.495 20 0 FEADMM C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000822349064 675479160 /nfs/dbraw/zinc/47/91/60/675479160.db2.gz TWRQAQRZBWDSCZ-CWCORTEISA-N -1 1 354.447 2.130 20 0 FEADMM O=C(CCc1ccc(OC(F)F)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822983597 675521136 /nfs/dbraw/zinc/52/11/36/675521136.db2.gz RAZYPKCGJIZZSN-UHFFFAOYSA-N -1 1 366.353 2.496 20 0 FEADMM O=C(CCc1ccc(OC(F)F)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822983597 675521138 /nfs/dbraw/zinc/52/11/38/675521138.db2.gz RAZYPKCGJIZZSN-UHFFFAOYSA-N -1 1 366.353 2.496 20 0 FEADMM O=C(COc1ccc2ccccc2c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823040486 675525002 /nfs/dbraw/zinc/52/50/02/675525002.db2.gz LQALWBFDQAIIKM-UHFFFAOYSA-N -1 1 352.379 2.494 20 0 FEADMM O=C(COc1ccc2ccccc2c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823040486 675525004 /nfs/dbraw/zinc/52/50/04/675525004.db2.gz LQALWBFDQAIIKM-UHFFFAOYSA-N -1 1 352.379 2.494 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCN(Cc2ccsc2)CC1 ZINC000823770717 675571021 /nfs/dbraw/zinc/57/10/21/675571021.db2.gz CEKUMCJAUJEHLX-UHFFFAOYSA-N -1 1 359.480 2.038 20 0 FEADMM COc1cccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000824156114 675586582 /nfs/dbraw/zinc/58/65/82/675586582.db2.gz UMYOCNZJTZANDB-UHFFFAOYSA-N -1 1 360.336 2.013 20 0 FEADMM CSc1nc(CNC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc(=O)[n-]1 ZINC000824603050 675613043 /nfs/dbraw/zinc/61/30/43/675613043.db2.gz NODGPTYZUGWLTH-ZJUUUORDSA-N -1 1 365.377 2.410 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCC[C@H]21 ZINC000824991908 675632445 /nfs/dbraw/zinc/63/24/45/675632445.db2.gz IBJXOCIKVOEBPG-NTZNESFSSA-N -1 1 365.434 2.205 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCC[C@H]21 ZINC000824991908 675632447 /nfs/dbraw/zinc/63/24/47/675632447.db2.gz IBJXOCIKVOEBPG-NTZNESFSSA-N -1 1 365.434 2.205 20 0 FEADMM O=C(NCCN1CCCc2ccccc21)c1ccc2n[n-]c(=S)n2c1 ZINC000825503517 675656282 /nfs/dbraw/zinc/65/62/82/675656282.db2.gz ABZZQYMHMNFQHO-UHFFFAOYSA-N -1 1 353.451 2.201 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826231553 675684858 /nfs/dbraw/zinc/68/48/58/675684858.db2.gz PPAACQMFTGDFGG-UHFFFAOYSA-N -1 1 366.397 2.342 20 0 FEADMM CSCCc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826228962 675685085 /nfs/dbraw/zinc/68/50/85/675685085.db2.gz IRDPWIUCALAYRT-UHFFFAOYSA-N -1 1 358.427 2.250 20 0 FEADMM CSCCc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826228962 675685087 /nfs/dbraw/zinc/68/50/87/675685087.db2.gz IRDPWIUCALAYRT-UHFFFAOYSA-N -1 1 358.427 2.250 20 0 FEADMM Cc1onc(CC(=O)NC(C)(C)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826345148 675686256 /nfs/dbraw/zinc/68/62/56/675686256.db2.gz DHLFGTLPUNEYLH-UHFFFAOYSA-N -1 1 360.805 2.411 20 0 FEADMM Cc1onc(CC(=O)NC(C)(C)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826345148 675686258 /nfs/dbraw/zinc/68/62/58/675686258.db2.gz DHLFGTLPUNEYLH-UHFFFAOYSA-N -1 1 360.805 2.411 20 0 FEADMM C[C@@H]1CCN(C(=O)[C@]23CCO[C@@H]2CCCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826686707 675700342 /nfs/dbraw/zinc/70/03/42/675700342.db2.gz TUBNHPSRGWJJPT-OQMKEHIESA-N -1 1 362.392 2.251 20 0 FEADMM C[C@@H]1CCN(C(=O)[C@@]23CCO[C@H]2CCCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826686695 675700518 /nfs/dbraw/zinc/70/05/18/675700518.db2.gz TUBNHPSRGWJJPT-DVZHBHJUSA-N -1 1 362.392 2.251 20 0 FEADMM CC(C)[C@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCS1 ZINC000826741581 675702920 /nfs/dbraw/zinc/70/29/20/675702920.db2.gz IAUFFEXWXDOBCG-IAGOWNOFSA-N -1 1 362.495 2.098 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000826937949 675717133 /nfs/dbraw/zinc/71/71/33/675717133.db2.gz PABBUBNQCFZJCA-VXGBXAGGSA-N -1 1 354.455 2.193 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000827751319 675776373 /nfs/dbraw/zinc/77/63/73/675776373.db2.gz FGWPVKLVKOPGEP-GFCCVEGCSA-N -1 1 362.455 2.069 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2c(C)noc2C)c(F)c1 ZINC000606463232 675834463 /nfs/dbraw/zinc/83/44/63/675834463.db2.gz SBSMSHLGGSJRPV-MRVPVSSYSA-N -1 1 360.382 2.488 20 0 FEADMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000829713484 675888109 /nfs/dbraw/zinc/88/81/09/675888109.db2.gz KTYGKHHZMYDPKP-ZDUSSCGKSA-N -1 1 360.361 2.202 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000608342156 675889148 /nfs/dbraw/zinc/88/91/48/675889148.db2.gz MUVRHBIHJYQZIZ-UHFFFAOYSA-N -1 1 359.400 2.126 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N(CCOCCO)C1CCC1 ZINC000616950324 676264106 /nfs/dbraw/zinc/26/41/06/676264106.db2.gz PCRCTVFCNVHDAG-UHFFFAOYSA-N -1 1 358.232 2.158 20 0 FEADMM COc1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc(Cl)c1[O-] ZINC000617528794 676290928 /nfs/dbraw/zinc/29/09/28/676290928.db2.gz ZDBOABCXPDCYTG-ZKYQVNSYSA-N -1 1 357.834 2.350 20 0 FEADMM 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20 0 FEADMM COc1ccc(CCS(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1 ZINC000800785148 674076475 /nfs/dbraw/zinc/07/64/75/674076475.db2.gz BLYTUWHOTLTHOT-UHFFFAOYSA-N -1 1 358.423 2.465 20 0 FEADMM COc1ccc(CCS(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)cc1 ZINC000800785626 674076285 /nfs/dbraw/zinc/07/62/85/674076285.db2.gz LPUCBZZBDMSZRR-UHFFFAOYSA-N -1 1 356.473 2.298 20 0 FEADMM COc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1[N-]S(C)(=O)=O ZINC000029816719 539865281 /nfs/dbraw/zinc/86/52/81/539865281.db2.gz AAVPGGZBNDABHW-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM CNC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000031938778 539923525 /nfs/dbraw/zinc/92/35/25/539923525.db2.gz QSFMBFVOZQTQST-UHFFFAOYSA-N -1 1 363.211 2.444 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000032631153 539945846 /nfs/dbraw/zinc/94/58/46/539945846.db2.gz SGVZQDPIJXKECM-UHFFFAOYSA-N -1 1 364.379 2.359 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)o1 ZINC000033016291 539963998 /nfs/dbraw/zinc/96/39/98/539963998.db2.gz DRMRRNGWJBOPGC-INIZCTEOSA-N -1 1 364.423 2.077 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1)N1CCCC1 ZINC000036100534 539987321 /nfs/dbraw/zinc/98/73/21/539987321.db2.gz BKZKVRRDPMQDJP-UHFFFAOYSA-N -1 1 374.418 2.452 20 0 FEADMM O=C(NC[C@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000041372736 540018571 /nfs/dbraw/zinc/01/85/71/540018571.db2.gz KDMSXYCFYHCLAD-CQSZACIVSA-N -1 1 360.435 2.254 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000041626573 540027953 /nfs/dbraw/zinc/02/79/53/540027953.db2.gz KIUJGSLSLPJBON-VIFPVBQESA-N -1 1 359.407 2.439 20 0 FEADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000044266239 540121683 /nfs/dbraw/zinc/12/16/83/540121683.db2.gz YYUNCXAYBAWSTL-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM O=S(=O)([N-]CCOCC(F)(F)F)c1sccc1Br ZINC000070167649 324895776 /nfs/dbraw/zinc/89/57/76/324895776.db2.gz WXJPWAIRNMFQLD-UHFFFAOYSA-N -1 1 368.196 2.368 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000046541656 540261912 /nfs/dbraw/zinc/26/19/12/540261912.db2.gz KADIABJNJHLWJI-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM O=S(=O)([N-]C[C@H]1COCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000048673126 540369828 /nfs/dbraw/zinc/36/98/28/540369828.db2.gz RZVKHXUNRLTBFR-QMMMGPOBSA-N -1 1 360.646 2.341 20 0 FEADMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1sccc1Br ZINC000049060983 540380294 /nfs/dbraw/zinc/38/02/94/540380294.db2.gz QGJYFCVDDRLYGS-SECBINFHSA-N -1 1 370.290 2.377 20 0 FEADMM CCN(CC)C(=O)CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000053196357 540517021 /nfs/dbraw/zinc/51/70/21/540517021.db2.gz JIXOAQHNEJBMLG-UHFFFAOYSA-N -1 1 369.465 2.172 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)o1 ZINC000053547340 540542456 /nfs/dbraw/zinc/54/24/56/540542456.db2.gz WLJSDEMVZNVQFJ-LBPRGKRZSA-N -1 1 366.439 2.466 20 0 FEADMM CCOCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000053960624 540560946 /nfs/dbraw/zinc/56/09/46/540560946.db2.gz JRCVKPIAZKVWQG-UHFFFAOYSA-N -1 1 366.414 2.393 20 0 FEADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000055548870 540658028 /nfs/dbraw/zinc/65/80/28/540658028.db2.gz PQTMHTSTOGGNJI-UHFFFAOYSA-N -1 1 352.387 2.271 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000055546881 540658062 /nfs/dbraw/zinc/65/80/62/540658062.db2.gz KIFDZVOHYXEUCH-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000055546091 540658181 /nfs/dbraw/zinc/65/81/81/540658181.db2.gz PARDPEQFSLSQKN-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc1Cl ZINC000055580457 540660455 /nfs/dbraw/zinc/66/04/55/540660455.db2.gz MTQPTGCBUFATNF-UHFFFAOYSA-N -1 1 374.871 2.238 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000055616721 540664045 /nfs/dbraw/zinc/66/40/45/540664045.db2.gz ZSLSZRDKDSSMDN-UHFFFAOYSA-N -1 1 361.379 2.270 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)cc1 ZINC000055618942 540664161 /nfs/dbraw/zinc/66/41/61/540664161.db2.gz JCLTVAKRRRNLIR-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM CCCS(=O)(=O)Nc1cc(NC(=O)c2cncc([O-])c2)c(F)cc1F ZINC000550690776 674105830 /nfs/dbraw/zinc/10/58/30/674105830.db2.gz SYMKTEUBISRCEU-UHFFFAOYSA-N -1 1 371.365 2.469 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000058637108 540851889 /nfs/dbraw/zinc/85/18/89/540851889.db2.gz YMHBLODHXYHQIT-UHFFFAOYSA-N -1 1 366.782 2.334 20 0 FEADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1 ZINC000063442489 541168313 /nfs/dbraw/zinc/16/83/13/541168313.db2.gz TZKQLGVTNQSCAJ-UHFFFAOYSA-N -1 1 364.423 2.002 20 0 FEADMM Cc1cccc(OCCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000064335060 541201459 /nfs/dbraw/zinc/20/14/59/541201459.db2.gz RQBNDUBAKMAGGH-UHFFFAOYSA-N -1 1 368.437 2.488 20 0 FEADMM CC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000066581187 541341003 /nfs/dbraw/zinc/34/10/03/541341003.db2.gz PQIBBQQNRGTDAT-UHFFFAOYSA-N -1 1 364.464 2.056 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1 ZINC000066587258 541342172 /nfs/dbraw/zinc/34/21/72/541342172.db2.gz UYSSUNZKRDRTBZ-UHFFFAOYSA-N -1 1 361.423 2.243 20 0 FEADMM CCn1c(CNC(=O)C[C@@H](C)NC(=O)C2CCCCC2)n[n-]c1=S ZINC000066636784 541351517 /nfs/dbraw/zinc/35/15/17/541351517.db2.gz UYOWOZXVYXCVNS-LLVKDONJSA-N -1 1 353.492 2.052 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000066888408 541385578 /nfs/dbraw/zinc/38/55/78/541385578.db2.gz DYCQROXLOBXNEE-UHFFFAOYSA-N -1 1 369.812 2.346 20 0 FEADMM CCn1c(CCNC(=O)c2cnn(C)c2-n2c(C)ccc2C)n[n-]c1=S ZINC000067076152 541414957 /nfs/dbraw/zinc/41/49/57/541414957.db2.gz UOQZAFOERNWANM-UHFFFAOYSA-N -1 1 373.486 2.074 20 0 FEADMM CCn1c(CCNC(=O)Cc2csc(-c3cccnc3)n2)n[n-]c1=S ZINC000067076303 541415054 /nfs/dbraw/zinc/41/50/54/541415054.db2.gz MWSGQCGUXKAGLZ-UHFFFAOYSA-N -1 1 374.495 2.380 20 0 FEADMM O[C@H](CN=c1nc(C(F)(F)F)[n-]s1)COc1ccc(F)c(F)c1 ZINC000550787592 674110143 /nfs/dbraw/zinc/11/01/43/674110143.db2.gz UJIJSKFOMHUPGL-ZCFIWIBFSA-N -1 1 355.288 2.109 20 0 FEADMM COCCOc1cncc(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000801222943 674111003 /nfs/dbraw/zinc/11/10/03/674111003.db2.gz KBGODEWNZAPWEA-UHFFFAOYSA-N -1 1 368.187 2.222 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000068099305 541548939 /nfs/dbraw/zinc/54/89/39/541548939.db2.gz KUFTUHFYMRFVFI-UHFFFAOYSA-N -1 1 360.377 2.198 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c1 ZINC000068216233 541564113 /nfs/dbraw/zinc/56/41/13/541564113.db2.gz LNXZBGVKZSTRLI-UHFFFAOYSA-N -1 1 360.391 2.078 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000068428107 541590748 /nfs/dbraw/zinc/59/07/48/541590748.db2.gz JQQCNLUHFXLRNN-UHFFFAOYSA-N -1 1 360.439 2.269 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1F ZINC000068716529 541622282 /nfs/dbraw/zinc/62/22/82/541622282.db2.gz MTRRZLVIHWZGMD-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM CC(C)(CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000069677705 541703275 /nfs/dbraw/zinc/70/32/75/541703275.db2.gz YWBDCTQZPQDGQP-UHFFFAOYSA-N -1 1 365.389 2.359 20 0 FEADMM CCNC(=O)c1ccc(=NCCCc2nc(-c3ccc(F)cc3)no2)[n-]n1 ZINC000544123310 541718338 /nfs/dbraw/zinc/71/83/38/541718338.db2.gz JFSCUSVJCBPKED-UHFFFAOYSA-N -1 1 370.388 2.460 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1cnn(-c2ccccc2)c1 ZINC000071092380 541763382 /nfs/dbraw/zinc/76/33/82/541763382.db2.gz DEHXHJQEZSNYTF-UHFFFAOYSA-N -1 1 366.406 2.254 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2ccnc2)c1)c1cc(F)ccc1F ZINC000072035632 541780369 /nfs/dbraw/zinc/78/03/69/541780369.db2.gz UOYIWZXGNAYQPO-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM CO[C@H](COC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccc(Cl)cc1 ZINC000801329789 674122267 /nfs/dbraw/zinc/12/22/67/674122267.db2.gz SWHKSIIJSWUHIO-CYBMUJFWSA-N -1 1 351.790 2.446 20 0 FEADMM COC(C)(C)C(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359818 674124418 /nfs/dbraw/zinc/12/44/18/674124418.db2.gz LOUZZNWMEUHDMS-UHFFFAOYSA-N -1 1 352.774 2.382 20 0 FEADMM C[C@@H](CN1CCOCC1)OC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801373894 674124831 /nfs/dbraw/zinc/12/48/31/674124831.db2.gz RXEVPINFOBXCIH-LBPRGKRZSA-N -1 1 365.817 2.109 20 0 FEADMM C[C@H](CC(=O)NCCc1n[n-]c(=S)n1C)C(=O)c1cccc(F)c1 ZINC000073390601 541949138 /nfs/dbraw/zinc/94/91/38/541949138.db2.gz HPSKGECAZXGWHZ-SNVBAGLBSA-N -1 1 350.419 2.185 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC000074162235 542045621 /nfs/dbraw/zinc/04/56/21/542045621.db2.gz PTJHRRBDFYDUFK-UHFFFAOYSA-N -1 1 363.377 2.224 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C1CCOCC1 ZINC000074416469 542080809 /nfs/dbraw/zinc/08/08/09/542080809.db2.gz AIDLTKCZUYXTSJ-MRXNPFEDSA-N -1 1 360.458 2.306 20 0 FEADMM O=C([O-])C[C@H]1CCCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000038027354 211357622 /nfs/dbraw/zinc/35/76/22/211357622.db2.gz FERWQLQNXKWCFM-LLVKDONJSA-N -1 1 356.220 2.112 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000016642870 211164661 /nfs/dbraw/zinc/16/46/61/211164661.db2.gz IQZSDVNOOAOZKU-UHFFFAOYSA-N -1 1 360.435 2.268 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076466006 542282144 /nfs/dbraw/zinc/28/21/44/542282144.db2.gz OKEZCQFUYRMHIU-SFHVURJKSA-N -1 1 364.449 2.319 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3cccc(OC(F)(F)F)c3)ccnc1-2 ZINC000801701665 674144424 /nfs/dbraw/zinc/14/44/24/674144424.db2.gz SOBBXTWPONQPKI-UHFFFAOYSA-N -1 1 350.300 2.422 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000076653172 542307247 /nfs/dbraw/zinc/30/72/47/542307247.db2.gz TXHIFLKSXGPGON-DGCLKSJQSA-N -1 1 366.414 2.345 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000077383526 542375308 /nfs/dbraw/zinc/37/53/08/542375308.db2.gz XDIUKLWDIBHFBR-MNOVXSKESA-N -1 1 364.464 2.054 20 0 FEADMM O=C(NCCCOC[C@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000077617313 542403646 /nfs/dbraw/zinc/40/36/46/542403646.db2.gz GEXKFIAXIDIDHP-LLVKDONJSA-N -1 1 358.232 2.328 20 0 FEADMM Cc1cccc([C@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000078169253 542446617 /nfs/dbraw/zinc/44/66/17/542446617.db2.gz BPDUBYGNFLWJIL-CYBMUJFWSA-N -1 1 352.438 2.410 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1cccs1 ZINC000078259709 542450845 /nfs/dbraw/zinc/45/08/45/542450845.db2.gz CBVMGJUZCDXDBB-AWEZNQCLSA-N -1 1 367.496 2.152 20 0 FEADMM COc1ccc2cc(C(=O)NCCc3n[n-]c(=S)n3C)c(C)nc2c1 ZINC000078502316 542464806 /nfs/dbraw/zinc/46/48/06/542464806.db2.gz ZPFXXYAYUULZPB-UHFFFAOYSA-N -1 1 357.439 2.315 20 0 FEADMM Cc1nn(C)c(C)c1CCNC(=O)c1ccc(Br)cc1[O-] ZINC000066044996 221237973 /nfs/dbraw/zinc/23/79/73/221237973.db2.gz ZMGFVZMJIJXALD-UHFFFAOYSA-N -1 1 352.232 2.478 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000081802936 542677023 /nfs/dbraw/zinc/67/70/23/542677023.db2.gz NTHAKCRYHRJSKF-UHFFFAOYSA-N -1 1 370.453 2.391 20 0 FEADMM COC[C@H](Cc1ccccc1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081965105 542681442 /nfs/dbraw/zinc/68/14/42/542681442.db2.gz YZTWBUABDUNQHJ-HNNXBMFYSA-N -1 1 357.454 2.363 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cc(-c2nnco2)ccc1C ZINC000084322881 542711312 /nfs/dbraw/zinc/71/13/12/542711312.db2.gz HVEXWUPCWSHWDQ-UHFFFAOYSA-N -1 1 359.415 2.429 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000093098166 542908732 /nfs/dbraw/zinc/90/87/32/542908732.db2.gz RHAVEHYVSRWCTO-AWEZNQCLSA-N -1 1 357.414 2.175 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)O)ccc2C)c1 ZINC000097075291 543003770 /nfs/dbraw/zinc/00/37/70/543003770.db2.gz WKAVQRSGTQWCPI-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM COCCN(C(=O)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000829780176 675890304 /nfs/dbraw/zinc/89/03/04/675890304.db2.gz FCPXUXKGLGNHNT-UHFFFAOYSA-N -1 1 358.232 2.422 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000104010159 543120525 /nfs/dbraw/zinc/12/05/25/543120525.db2.gz HTADUJKFWPDHAK-UHFFFAOYSA-N -1 1 355.785 2.370 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCCc2ccccc21 ZINC000104838678 543146791 /nfs/dbraw/zinc/14/67/91/543146791.db2.gz AEZXMRIAGLSOEQ-MRXNPFEDSA-N -1 1 364.449 2.418 20 0 FEADMM CCOc1cccc2c1OC[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C2 ZINC000106749336 543244999 /nfs/dbraw/zinc/24/49/99/543244999.db2.gz OENHTEYLKIDCEO-SECBINFHSA-N -1 1 356.304 2.412 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nnc(C(F)F)s1 ZINC000108786736 543303464 /nfs/dbraw/zinc/30/34/64/543303464.db2.gz FKWFRDLYCLAERA-UHFFFAOYSA-N -1 1 366.353 2.180 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)cc2s1 ZINC000109332614 543321794 /nfs/dbraw/zinc/32/17/94/543321794.db2.gz XEHQIEDOPXHNMV-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](N2CCCC2=O)C1 ZINC000111649027 543409857 /nfs/dbraw/zinc/40/98/57/543409857.db2.gz WIRBCVZKAUBZHQ-GFCCVEGCSA-N -1 1 367.243 2.382 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1 ZINC000115313365 543559475 /nfs/dbraw/zinc/55/94/75/543559475.db2.gz WSLSUEQGQJDYBG-QHCPKHFHSA-N -1 1 366.464 2.324 20 0 FEADMM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1ccc(Br)cc1[O-] ZINC000552007253 674181202 /nfs/dbraw/zinc/18/12/02/674181202.db2.gz RPJMHDVMUSPBCU-GWCFXTLKSA-N -1 1 360.248 2.043 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)CCO)cc1 ZINC000123358669 543756705 /nfs/dbraw/zinc/75/67/05/543756705.db2.gz DMQTVEXBAOMWRC-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(F)cc3[O-])cc2)C1 ZINC000123617355 543772512 /nfs/dbraw/zinc/77/25/12/543772512.db2.gz WRZDPUSDGSICCN-CQSZACIVSA-N -1 1 371.412 2.481 20 0 FEADMM Cc1cc(C)c(Br)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000124359299 543816662 /nfs/dbraw/zinc/81/66/62/543816662.db2.gz VLDWLZRBGIKDAN-SNVBAGLBSA-N -1 1 352.236 2.455 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nn[n-]n1 ZINC000124692612 543837158 /nfs/dbraw/zinc/83/71/58/543837158.db2.gz QCRUCGRZWLVLSJ-MRVPVSSYSA-N -1 1 364.381 2.477 20 0 FEADMM NC(=O)C1CCN(c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000125619417 543891902 /nfs/dbraw/zinc/89/19/02/543891902.db2.gz SGJDERWXFLQVFT-UHFFFAOYSA-N -1 1 359.451 2.189 20 0 FEADMM CN(Cc1cnnn1C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127183398 543977436 /nfs/dbraw/zinc/97/74/36/543977436.db2.gz SXPQXEJZVBOROD-UHFFFAOYSA-N -1 1 371.466 2.248 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000126608990 543946933 /nfs/dbraw/zinc/94/69/33/543946933.db2.gz HTBRUHDLZFWIEB-OWCLPIDISA-N -1 1 358.442 2.058 20 0 FEADMM CCc1nn(C)c(CC)c1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000126705353 543952225 /nfs/dbraw/zinc/95/22/25/543952225.db2.gz LDPIBRHDFVTQIK-UHFFFAOYSA-N -1 1 359.474 2.164 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CCc2ccccc2)co1 ZINC000129297970 544104038 /nfs/dbraw/zinc/10/40/38/544104038.db2.gz VOLDWEBOHSCKJT-UHFFFAOYSA-N -1 1 350.440 2.329 20 0 FEADMM O=S(=O)([N-]CC1(CO)CCOCC1)c1cc(Cl)sc1Cl ZINC000129397885 544110159 /nfs/dbraw/zinc/11/01/59/544110159.db2.gz GSQDRGCKSQNHEQ-UHFFFAOYSA-N -1 1 360.284 2.122 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000129497783 544115643 /nfs/dbraw/zinc/11/56/43/544115643.db2.gz FNAYPFIKQJJKBJ-GFCCVEGCSA-N -1 1 351.399 2.432 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CCSC)cc2)co1 ZINC000129469310 544114373 /nfs/dbraw/zinc/11/43/73/544114373.db2.gz FABIKEPCHWEBFS-UHFFFAOYSA-N -1 1 354.453 2.346 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C)c1ccc(OC)cc1 ZINC000552210214 674195144 /nfs/dbraw/zinc/19/51/44/674195144.db2.gz RPVSPOFQVIISDQ-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1)c1ccc(OC)cc1 ZINC000552210011 674195200 /nfs/dbraw/zinc/19/52/00/674195200.db2.gz IXFCDXJJOPDGTC-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM O=C(NCCCOC[C@@H]1CCOC1)c1ccc(Br)c([O-])c1 ZINC000133503137 544272784 /nfs/dbraw/zinc/27/27/84/544272784.db2.gz COLHETKHELVJPD-NSHDSACASA-N -1 1 358.232 2.328 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1N1CCOCC1)c1cc2ccccc2o1 ZINC000133951002 544288761 /nfs/dbraw/zinc/28/87/61/544288761.db2.gz QFCSJAIKWBODSP-UHFFFAOYSA-N -1 1 373.434 2.143 20 0 FEADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000133109015 544256641 /nfs/dbraw/zinc/25/66/41/544256641.db2.gz XLHYQVWLXFCBBR-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000134604674 544314579 /nfs/dbraw/zinc/31/45/79/544314579.db2.gz FKPXCCVBFTYERX-DOTOQJQBSA-N -1 1 374.485 2.432 20 0 FEADMM CCOCCO[C@H](C)C(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000145140243 544432063 /nfs/dbraw/zinc/43/20/63/544432063.db2.gz SLSOMKISGYPFLE-SECBINFHSA-N -1 1 371.488 2.290 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000150894708 544483592 /nfs/dbraw/zinc/48/35/92/544483592.db2.gz DWROIYBXPCGWMU-AWEZNQCLSA-N -1 1 373.482 2.123 20 0 FEADMM CCc1ccc(NC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)cc1F ZINC000152436190 544652637 /nfs/dbraw/zinc/65/26/37/544652637.db2.gz KBRPDGWSQVLRRU-UHFFFAOYSA-N -1 1 367.384 2.418 20 0 FEADMM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000152729511 544688783 /nfs/dbraw/zinc/68/87/83/544688783.db2.gz AVJWGQTZLWEPNE-UHFFFAOYSA-N -1 1 373.862 2.002 20 0 FEADMM CC[C@](C)(NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1nc(C)cs1 ZINC000153373555 544767753 /nfs/dbraw/zinc/76/77/53/544767753.db2.gz SLGDAABDASQQFI-AWEZNQCLSA-N -1 1 357.457 2.008 20 0 FEADMM CCC(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000153671408 544806918 /nfs/dbraw/zinc/80/69/18/544806918.db2.gz OUPQHSZQLQLMGE-UHFFFAOYSA-N -1 1 354.222 2.296 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cc(F)ccc1Br)c1nn[n-]n1 ZINC000153926922 544840826 /nfs/dbraw/zinc/84/08/26/544840826.db2.gz FRZJYQURJXCAFX-LLVKDONJSA-N -1 1 356.199 2.301 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOc3cc(C)ccc32)c(=O)[n-]1 ZINC000154820734 544953559 /nfs/dbraw/zinc/95/35/59/544953559.db2.gz MOAANVLEONXVJM-UHFFFAOYSA-N -1 1 359.451 2.467 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@H](C)[C@@H]1OC ZINC000552649366 674218524 /nfs/dbraw/zinc/21/85/24/674218524.db2.gz WDPQBYQHIRFZRF-GDLCADMTSA-N -1 1 359.444 2.184 20 0 FEADMM CCN(CCN1CCCCCC1)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000553188618 674243958 /nfs/dbraw/zinc/24/39/58/674243958.db2.gz FBVVDHJIJCBFMU-UHFFFAOYSA-N -1 1 372.487 2.481 20 0 FEADMM O=C([N-]CCCOC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000803811969 674261317 /nfs/dbraw/zinc/26/13/17/674261317.db2.gz FKOQFCISVAHCMF-SNVBAGLBSA-N -1 1 373.249 2.351 20 0 FEADMM O=S(=O)([N-][C@H]1CCC[C@@H]1O)c1c(Cl)cc(F)cc1Br ZINC000179329896 327637221 /nfs/dbraw/zinc/63/72/21/327637221.db2.gz NXWNAENPUMBWOL-UWVGGRQHSA-N -1 1 372.643 2.433 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(N2CCCNC2=O)CC1 ZINC000180775509 327701441 /nfs/dbraw/zinc/70/14/41/327701441.db2.gz DECKCPZOULYTNX-UHFFFAOYSA-N -1 1 371.359 2.431 20 0 FEADMM C[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cn(C)c2ccccc12 ZINC000185917142 327939112 /nfs/dbraw/zinc/93/91/12/327939112.db2.gz HVCDDVPXBXNUPR-NSHDSACASA-N -1 1 373.434 2.274 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)co1 ZINC000186262555 327954267 /nfs/dbraw/zinc/95/42/67/327954267.db2.gz ZXTBWTGCWMPEPA-JTQLQIEISA-N -1 1 350.396 2.047 20 0 FEADMM COCC1=CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000186330235 327957229 /nfs/dbraw/zinc/95/72/29/327957229.db2.gz XFKUPOZLQLZRDH-UHFFFAOYSA-N -1 1 373.190 2.416 20 0 FEADMM Cc1cccc(CS(=O)(=O)[N-]c2cccc(CN3CCOCC3)n2)c1 ZINC000186630633 327971994 /nfs/dbraw/zinc/97/19/94/327971994.db2.gz MEOHPYAWRDHIEV-UHFFFAOYSA-N -1 1 361.467 2.164 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000186563552 327968320 /nfs/dbraw/zinc/96/83/20/327968320.db2.gz KSRHNUIAZFRCEH-UHFFFAOYSA-N -1 1 362.332 2.395 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187105917 328002354 /nfs/dbraw/zinc/00/23/54/328002354.db2.gz APTOWNPJVIWMOJ-MRXNPFEDSA-N -1 1 371.343 2.415 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@H](C)Cc1ccsc1 ZINC000187372744 328020546 /nfs/dbraw/zinc/02/05/46/328020546.db2.gz POVWRUBNCNCSGA-LLVKDONJSA-N -1 1 356.469 2.343 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(Cc3cccc(F)c3)CCC2)o1 ZINC000187563242 328033533 /nfs/dbraw/zinc/03/35/33/328033533.db2.gz BIYHWIQQMYIUKG-UHFFFAOYSA-N -1 1 366.414 2.222 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000187764113 328044583 /nfs/dbraw/zinc/04/45/83/328044583.db2.gz SIKYJHZKDWRZAD-LSDHHAIUSA-N -1 1 362.451 2.329 20 0 FEADMM NC(=O)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188083330 328064736 /nfs/dbraw/zinc/06/47/36/328064736.db2.gz YOBZKKGIBMISHD-CBAPKCEASA-N -1 1 369.245 2.455 20 0 FEADMM O=C(NCCOCC(F)F)c1cc(I)ccc1[O-] ZINC000188436707 328087009 /nfs/dbraw/zinc/08/70/09/328087009.db2.gz BLCHYHGMUDNAFK-UHFFFAOYSA-N -1 1 371.121 2.008 20 0 FEADMM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000188385410 328083880 /nfs/dbraw/zinc/08/38/80/328083880.db2.gz HTILOYJDGIFGTI-GFCCVEGCSA-N -1 1 359.369 2.294 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c1F ZINC000188494386 328090832 /nfs/dbraw/zinc/09/08/32/328090832.db2.gz IFCUVRQDERTNDY-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM CN(CC1(CO)CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000189093072 328128030 /nfs/dbraw/zinc/12/80/30/328128030.db2.gz HHTFENKDMFUSMF-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM CO[C@@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000189283164 328138781 /nfs/dbraw/zinc/13/87/81/328138781.db2.gz OBROVKDNHCLJCG-LBPRGKRZSA-N -1 1 366.414 2.391 20 0 FEADMM CO[C@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000189284155 328139238 /nfs/dbraw/zinc/13/92/38/328139238.db2.gz LVAVJVIAHVWTEA-GFCCVEGCSA-N -1 1 366.414 2.391 20 0 FEADMM C[C@H]1OCCN(C(=O)c2cc(I)ccc2[O-])[C@@H]1C ZINC000189492298 328151313 /nfs/dbraw/zinc/15/13/13/328151313.db2.gz KLVYXAQTHQPHQO-RKDXNWHRSA-N -1 1 361.179 2.246 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)c2ccc(Cl)cc2)no1 ZINC000190389307 328205013 /nfs/dbraw/zinc/20/50/13/328205013.db2.gz HMLLOCYOFQXMMG-OWYVNGRQSA-N -1 1 371.846 2.218 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)o1 ZINC000190672365 328223973 /nfs/dbraw/zinc/22/39/73/328223973.db2.gz FZCQUAODDJDDJW-JTQLQIEISA-N -1 1 368.377 2.238 20 0 FEADMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191904537 328287966 /nfs/dbraw/zinc/28/79/66/328287966.db2.gz FPSDCBJONYZUCU-MRVPVSSYSA-N -1 1 369.245 2.422 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ncc(F)cc2F)c1 ZINC000192343043 328314342 /nfs/dbraw/zinc/31/43/42/328314342.db2.gz KSKBFLBKWIOHDX-UHFFFAOYSA-N -1 1 359.329 2.002 20 0 FEADMM CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](CCC)c2nn[n-]n2)cc1 ZINC000192433148 328318755 /nfs/dbraw/zinc/31/87/55/328318755.db2.gz FPYXKRQDUZBBQX-CQSZACIVSA-N -1 1 365.459 2.045 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCCc2ccc(Cl)cc2)n1 ZINC000193537426 328380534 /nfs/dbraw/zinc/38/05/34/328380534.db2.gz HXVQNWZVLBBCQP-UHFFFAOYSA-N -1 1 353.831 2.301 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCn2cccc2[C@@H]1C ZINC000194727215 328437113 /nfs/dbraw/zinc/43/71/13/328437113.db2.gz CYNJDCNSYZDFEI-AWEZNQCLSA-N -1 1 353.426 2.389 20 0 FEADMM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000026548620 324427917 /nfs/dbraw/zinc/42/79/17/324427917.db2.gz QJDJZGRTMBCCAQ-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000032098341 324473928 /nfs/dbraw/zinc/47/39/28/324473928.db2.gz LIJGXMPCLAJIFO-UHFFFAOYSA-N -1 1 368.480 2.348 20 0 FEADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000032098356 324474017 /nfs/dbraw/zinc/47/40/17/324474017.db2.gz NOCRJIKFJFRDLJ-UHFFFAOYSA-N -1 1 354.453 2.087 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCOCCC(C)C ZINC000195492043 328480000 /nfs/dbraw/zinc/48/00/00/328480000.db2.gz GNTCZFQTSZUIOW-UHFFFAOYSA-N -1 1 372.469 2.252 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2C[C@@H]1O)c1sccc1Br ZINC000049060941 324678123 /nfs/dbraw/zinc/67/81/23/324678123.db2.gz IUIQFTBAWWSCBK-RYUDHWBXSA-N -1 1 374.281 2.447 20 0 FEADMM CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000055631185 324783636 /nfs/dbraw/zinc/78/36/36/324783636.db2.gz XBWGXPYMSQMOMD-UHFFFAOYSA-N -1 1 374.462 2.443 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)cc1 ZINC000063849858 324868509 /nfs/dbraw/zinc/86/85/09/324868509.db2.gz KRPZBZDNSKBMNO-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM Cc1cc(S(=O)(=O)N(CCN(C)C)C2CCCC2)sc1C(=O)[O-] ZINC000237115368 328505165 /nfs/dbraw/zinc/50/51/65/328505165.db2.gz ONTIDPBGIXGAGN-UHFFFAOYSA-N -1 1 360.501 2.250 20 0 FEADMM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000078245557 325036488 /nfs/dbraw/zinc/03/64/88/325036488.db2.gz XNRKRONXWURGOC-IZEVZFMRSA-N -1 1 361.467 2.453 20 0 FEADMM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000078245557 325036491 /nfs/dbraw/zinc/03/64/91/325036491.db2.gz XNRKRONXWURGOC-IZEVZFMRSA-N -1 1 361.467 2.453 20 0 FEADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000078502176 325048335 /nfs/dbraw/zinc/04/83/35/325048335.db2.gz PSZIIRVXZKWIHG-MFKMUULPSA-N -1 1 359.455 2.045 20 0 FEADMM CCn1c(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n[n-]c1=S ZINC000078496465 325048885 /nfs/dbraw/zinc/04/88/85/325048885.db2.gz OEJJBHWKEVTCOD-GWCFXTLKSA-N -1 1 359.455 2.485 20 0 FEADMM Cc1cc(C)n(Cc2cccc(C(=O)NCCc3n[n-]c(=S)n3C)c2)n1 ZINC000078496581 325048969 /nfs/dbraw/zinc/04/89/69/325048969.db2.gz YVRGPTWQPBPCGV-UHFFFAOYSA-N -1 1 370.482 2.312 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000078784511 325061379 /nfs/dbraw/zinc/06/13/79/325061379.db2.gz AHWVIOSNJOGIAK-UHFFFAOYSA-N -1 1 354.454 2.338 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cnc3ccccc3n2)c(=O)[n-]1 ZINC000079548459 325095932 /nfs/dbraw/zinc/09/59/32/325095932.db2.gz KMGQUPOFBKQWKI-UHFFFAOYSA-N -1 1 355.423 2.315 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000080638510 325138069 /nfs/dbraw/zinc/13/80/69/325138069.db2.gz SGZVPMFZCZFFIH-UHFFFAOYSA-N -1 1 356.382 2.073 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000081748271 325195177 /nfs/dbraw/zinc/19/51/77/325195177.db2.gz LGWVIOFNDWEGEX-ZDUSSCGKSA-N -1 1 365.474 2.472 20 0 FEADMM CC[C@H](NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1)C(=O)OC ZINC000084371394 325234585 /nfs/dbraw/zinc/23/45/85/325234585.db2.gz WCDMJAQKHDYXSV-ZDUSSCGKSA-N -1 1 362.455 2.374 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000086170415 325261251 /nfs/dbraw/zinc/26/12/51/325261251.db2.gz AQXZFKCLYKLNMI-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2c(C)cccc2C(C)C)n[n-]1 ZINC000086170485 325261628 /nfs/dbraw/zinc/26/16/28/325261628.db2.gz VSWGPPKOLBFSAG-UHFFFAOYSA-N -1 1 350.444 2.211 20 0 FEADMM Cn1c([C@H]2CCCN(C(=O)CSCC(F)(F)F)C2)n[n-]c1=S ZINC000090553566 325363446 /nfs/dbraw/zinc/36/34/46/325363446.db2.gz BOFGLMAGILIHBL-QMMMGPOBSA-N -1 1 354.423 2.479 20 0 FEADMM Cn1c([C@@H]2CCCN(C(=O)C[C@@H](O)c3cccc(F)c3)C2)n[n-]c1=S ZINC000091442606 325386669 /nfs/dbraw/zinc/38/66/69/325386669.db2.gz HRTQKMFJFDCHAS-TZMCWYRMSA-N -1 1 364.446 2.446 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000092335674 325410657 /nfs/dbraw/zinc/41/06/57/325410657.db2.gz OYUXFFNCSSDTMC-ZDUSSCGKSA-N -1 1 359.835 2.077 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1cc(F)c(F)cc1F ZINC000105617630 325570748 /nfs/dbraw/zinc/57/07/48/325570748.db2.gz ZMIIKDBAALMBRQ-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110443910 325687985 /nfs/dbraw/zinc/68/79/85/325687985.db2.gz AFSUCYQTYFPKHH-RDJZCZTQSA-N -1 1 350.422 2.102 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000114412418 325890394 /nfs/dbraw/zinc/89/03/94/325890394.db2.gz JGHJYILNNZSSOR-HUUCEWRRSA-N -1 1 354.385 2.198 20 0 FEADMM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cncc([O-])c1 ZINC000115726485 325974576 /nfs/dbraw/zinc/97/45/76/325974576.db2.gz YEDAPFODDLPAFB-RUZDIDTESA-N -1 1 360.435 2.467 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2ccccc2CC1 ZINC000116218085 325999866 /nfs/dbraw/zinc/99/98/66/325999866.db2.gz RZRYQRPKVFJSFZ-UHFFFAOYSA-N -1 1 374.444 2.310 20 0 FEADMM C[C@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCN1C(=O)c1ccccc1 ZINC000116733772 326031697 /nfs/dbraw/zinc/03/16/97/326031697.db2.gz ZTAPNWNWSUTRTK-OAHLLOKOSA-N -1 1 367.331 2.457 20 0 FEADMM O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1nnn[n-]1 ZINC000116783229 326035316 /nfs/dbraw/zinc/03/53/16/326035316.db2.gz SSOXLOJGHCKEOA-UHFFFAOYSA-N -1 1 357.757 2.102 20 0 FEADMM O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1nn[n-]n1 ZINC000116783229 326035317 /nfs/dbraw/zinc/03/53/17/326035317.db2.gz SSOXLOJGHCKEOA-UHFFFAOYSA-N -1 1 357.757 2.102 20 0 FEADMM CS[C@@H]1CCC[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000117317631 326057262 /nfs/dbraw/zinc/05/72/62/326057262.db2.gz HYSHDYABWVMYMF-LSDHHAIUSA-N -1 1 372.494 2.473 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000117986295 326076173 /nfs/dbraw/zinc/07/61/73/326076173.db2.gz RAQLHXWEYCSZKL-ZDUSSCGKSA-N -1 1 354.859 2.226 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686117 326097572 /nfs/dbraw/zinc/09/75/72/326097572.db2.gz OTRGQAUIJKGSMV-LEWSCRJBSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686117 326097573 /nfs/dbraw/zinc/09/75/73/326097573.db2.gz OTRGQAUIJKGSMV-LEWSCRJBSA-N -1 1 374.832 2.265 20 0 FEADMM COC[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(F)c(F)c1 ZINC000119479450 326167555 /nfs/dbraw/zinc/16/75/55/326167555.db2.gz AEBSMVDCZMNKCK-AWEZNQCLSA-N -1 1 362.336 2.070 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCOc3c(F)cccc31)c2=O ZINC000119492831 326168773 /nfs/dbraw/zinc/16/87/73/326168773.db2.gz SHUUGAWTPFJRQD-AWEZNQCLSA-N -1 1 356.357 2.457 20 0 FEADMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nccn3C)n[nH]2)C1 ZINC000119721036 326191640 /nfs/dbraw/zinc/19/16/40/326191640.db2.gz XZTKAILJSDJFJT-STQMWFEESA-N -1 1 358.446 2.033 20 0 FEADMM CCCC1N=NC(=S)N1CC(=O)Nc1nc(Br)ccc1[O-] ZINC000121609229 326351778 /nfs/dbraw/zinc/35/17/78/326351778.db2.gz DVZJEIIZKKGUSL-UHFFFAOYSA-N -1 1 372.248 2.021 20 0 FEADMM COc1c(CNC(=O)c2ccc(Br)cc2[O-])c(C)nn1C ZINC000121706921 326359826 /nfs/dbraw/zinc/35/98/26/326359826.db2.gz WHGXFHAFCJGZMN-UHFFFAOYSA-N -1 1 354.204 2.135 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCc3ccc(F)cc3C2)c(=O)[n-]1 ZINC000121717589 326360897 /nfs/dbraw/zinc/36/08/97/326360897.db2.gz SDSPJBLHUZMJFF-UHFFFAOYSA-N -1 1 361.442 2.457 20 0 FEADMM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000122070231 326382841 /nfs/dbraw/zinc/38/28/41/326382841.db2.gz BSWGBPDCUWAKMG-LLVKDONJSA-N -1 1 372.231 2.413 20 0 FEADMM O=C(NC1CCC(C(=O)N2CCSCC2)CC1)c1c([O-])cccc1F ZINC000122489524 326398815 /nfs/dbraw/zinc/39/88/15/326398815.db2.gz KDYAZKGCXKDYDU-UHFFFAOYSA-N -1 1 366.458 2.395 20 0 FEADMM CC[C@@H](O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000123073672 326419151 /nfs/dbraw/zinc/41/91/51/326419151.db2.gz POVRKDQWWUWALD-MRXNPFEDSA-N -1 1 362.451 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(COCC3CC3)c2)co1 ZINC000123137356 326421466 /nfs/dbraw/zinc/42/14/66/326421466.db2.gz KFZBMTVDSDQLNK-UHFFFAOYSA-N -1 1 364.423 2.367 20 0 FEADMM CCOCCO[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000124506275 326455287 /nfs/dbraw/zinc/45/52/87/326455287.db2.gz IZJVZNDNSGNWPJ-LBPRGKRZSA-N -1 1 358.232 2.422 20 0 FEADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000125303620 326469241 /nfs/dbraw/zinc/46/92/41/326469241.db2.gz MJNOIKALKUPHHJ-NSHDSACASA-N -1 1 351.371 2.486 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)CO)cc1 ZINC000126685480 326493388 /nfs/dbraw/zinc/49/33/88/326493388.db2.gz CZCYYWWVYYUUGE-CQSZACIVSA-N -1 1 362.451 2.249 20 0 FEADMM O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1c([O-])cccc1F ZINC000128469146 326524466 /nfs/dbraw/zinc/52/44/66/326524466.db2.gz KHZVEMGILDNANN-INIZCTEOSA-N -1 1 356.397 2.495 20 0 FEADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1c([O-])cccc1F ZINC000129184075 326536012 /nfs/dbraw/zinc/53/60/12/326536012.db2.gz ZEMAGGFMNVGOAM-GFCCVEGCSA-N -1 1 350.296 2.345 20 0 FEADMM CS(=O)(=O)c1nc(C(=O)Nc2ccc([O-])c(Cl)c2)c2ccccn21 ZINC000129544272 326542414 /nfs/dbraw/zinc/54/24/14/326542414.db2.gz LVIIGKJEUJIFJO-UHFFFAOYSA-N -1 1 365.798 2.349 20 0 FEADMM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1c(F)cccc1Cl ZINC000131031892 326567728 /nfs/dbraw/zinc/56/77/28/326567728.db2.gz CWCFABDZLGRLHO-LLVKDONJSA-N -1 1 351.827 2.343 20 0 FEADMM CCCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000131092359 326568591 /nfs/dbraw/zinc/56/85/91/326568591.db2.gz IDYIQAUHVPGGRR-UHFFFAOYSA-N -1 1 356.375 2.368 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)co1 ZINC000132351779 326591124 /nfs/dbraw/zinc/59/11/24/326591124.db2.gz SVFUAAMFUFDWEE-AWEZNQCLSA-N -1 1 363.439 2.285 20 0 FEADMM COc1ccc(C(F)(F)C(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000133701364 326613501 /nfs/dbraw/zinc/61/35/01/326613501.db2.gz DXJKJIVZQDIXJF-NSHDSACASA-N -1 1 366.286 2.066 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000134604631 326628457 /nfs/dbraw/zinc/62/84/57/326628457.db2.gz FKPXCCVBFTYERX-RDJZCZTQSA-N -1 1 374.485 2.432 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)[C@@H]1CCOC1 ZINC000135109619 326636335 /nfs/dbraw/zinc/63/63/35/326636335.db2.gz LPNNANSIIRFZNL-HTQZYQBOSA-N -1 1 369.668 2.201 20 0 FEADMM C[C@@H](CO)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000151935831 326695047 /nfs/dbraw/zinc/69/50/47/326695047.db2.gz VVSPNBBSLJBLIS-UONOGXRCSA-N -1 1 362.451 2.234 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)co1 ZINC000152920175 326719657 /nfs/dbraw/zinc/71/96/57/326719657.db2.gz CUUGHTZVNOHDRQ-UHFFFAOYSA-N -1 1 368.842 2.303 20 0 FEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2occc2-c2ccc(F)cc2)n1 ZINC000153010613 326721769 /nfs/dbraw/zinc/72/17/69/326721769.db2.gz SCGQGUBRIUXMLD-UHFFFAOYSA-N -1 1 365.342 2.266 20 0 FEADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc(F)ccc1[O-] ZINC000153584608 326736721 /nfs/dbraw/zinc/73/67/21/326736721.db2.gz FGSGLDPZQUHHPC-CYBMUJFWSA-N -1 1 350.296 2.345 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Oc2ccccc2Cl)co1 ZINC000153821891 326743702 /nfs/dbraw/zinc/74/37/02/326743702.db2.gz VWBRSVVLAVWNAE-JTQLQIEISA-N -1 1 372.830 2.038 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000161677305 327006114 /nfs/dbraw/zinc/00/61/14/327006114.db2.gz QNFMETOQOCRZHC-XHDPSFHLSA-N -1 1 361.417 2.367 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC[C@H]1O)c1cc(Br)c(F)cc1F ZINC000162757308 327033842 /nfs/dbraw/zinc/03/38/42/327033842.db2.gz LLAVQLPWJUMIOL-RDDDGLTNSA-N -1 1 370.215 2.167 20 0 FEADMM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1cc(F)c(F)cc1F ZINC000170939331 327108569 /nfs/dbraw/zinc/10/85/69/327108569.db2.gz YDGYTPPMNKLWGW-UHFFFAOYSA-N -1 1 373.352 2.396 20 0 FEADMM O=C(NO[C@@H]1CCCCO1)c1cc(I)ccc1[O-] ZINC000171298448 327130562 /nfs/dbraw/zinc/13/05/62/327130562.db2.gz URFZFDAFVRSMNG-LLVKDONJSA-N -1 1 363.151 2.185 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2NS(C)(=O)=O)c1 ZINC000172897188 327225339 /nfs/dbraw/zinc/22/53/39/327225339.db2.gz KWQAMWBYHUJHIK-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cnn(C)c1 ZINC000173011389 327230156 /nfs/dbraw/zinc/23/01/56/327230156.db2.gz OTNGSQAUEDGPNJ-UHFFFAOYSA-N -1 1 370.434 2.498 20 0 FEADMM COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000173427606 327255755 /nfs/dbraw/zinc/25/57/55/327255755.db2.gz PITIEOWWBDSCDL-UHFFFAOYSA-N -1 1 355.287 2.240 20 0 FEADMM COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000173429613 327256196 /nfs/dbraw/zinc/25/61/96/327256196.db2.gz BMWDBIZWVGMMMY-UHFFFAOYSA-N -1 1 355.287 2.240 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)F)cc2)cc1 ZINC000174552367 327334618 /nfs/dbraw/zinc/33/46/18/327334618.db2.gz SEYSSKRVICWPNP-UHFFFAOYSA-N -1 1 370.377 2.491 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](O)C2)c1 ZINC000174589036 327336518 /nfs/dbraw/zinc/33/65/18/327336518.db2.gz HWAJPRKNLQFRTM-OAHLLOKOSA-N -1 1 374.462 2.311 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(OCC(F)F)c1 ZINC000175104265 327374414 /nfs/dbraw/zinc/37/44/14/327374414.db2.gz ZINTZPYKRZHAMQ-UHFFFAOYSA-N -1 1 369.393 2.374 20 0 FEADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000176034377 327429524 /nfs/dbraw/zinc/42/95/24/327429524.db2.gz VBCVOOCEFJHINO-VIFPVBQESA-N -1 1 362.323 2.422 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCN(c2ccccc2)CC1 ZINC000176078120 327432460 /nfs/dbraw/zinc/43/24/60/327432460.db2.gz VAYKKALTARTJJW-UHFFFAOYSA-N -1 1 358.467 2.153 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000176692892 327470468 /nfs/dbraw/zinc/47/04/68/327470468.db2.gz RWCSYRXTXMXCGL-GQCTYLIASA-N -1 1 354.385 2.498 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000178507416 327589448 /nfs/dbraw/zinc/58/94/48/327589448.db2.gz SWOOCLJOBBJNPJ-VIFPVBQESA-N -1 1 372.805 2.490 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247298952 328679300 /nfs/dbraw/zinc/67/93/00/328679300.db2.gz HTBRUHDLZFWIEB-ARFHVFGLSA-N -1 1 358.442 2.058 20 0 FEADMM CCC[C@@H](NCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000262315026 328858544 /nfs/dbraw/zinc/85/85/44/328858544.db2.gz UEEGNBGZWYJMDE-GXTWGEPZSA-N -1 1 352.431 2.032 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCOC1)c1cc(Br)c(F)cc1F ZINC000264077147 328990437 /nfs/dbraw/zinc/99/04/37/328990437.db2.gz NJQOHQAIZCLZGM-SSDOTTSWSA-N -1 1 356.188 2.042 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(OC)ccc2OC(C)C)o1 ZINC000264371448 329015305 /nfs/dbraw/zinc/01/53/05/329015305.db2.gz DXBMQMPDMUMFQY-UHFFFAOYSA-N -1 1 368.411 2.236 20 0 FEADMM COCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000264935700 329076154 /nfs/dbraw/zinc/07/61/54/329076154.db2.gz ZGNMWLUPHJZFHW-UHFFFAOYSA-N -1 1 369.464 2.216 20 0 FEADMM CC(C)(CNC(=O)c1cc2ccccc2cc1[O-])N1CCS(=O)CC1 ZINC000265195417 329101268 /nfs/dbraw/zinc/10/12/68/329101268.db2.gz WIUYUEWPMNLOON-UHFFFAOYSA-N -1 1 360.479 2.118 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000265670951 329148376 /nfs/dbraw/zinc/14/83/76/329148376.db2.gz RFTQHAKVIZCJIA-UBHSHLNASA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000265670951 329148377 /nfs/dbraw/zinc/14/83/77/329148377.db2.gz RFTQHAKVIZCJIA-UBHSHLNASA-N -1 1 374.832 2.265 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)s1 ZINC000265803487 329161746 /nfs/dbraw/zinc/16/17/46/329161746.db2.gz RMHRZJUQSGMOBB-UHFFFAOYSA-N -1 1 367.496 2.272 20 0 FEADMM CC(C)(CNC(=O)c1ccc2ccccc2c1[O-])N1CCS(=O)CC1 ZINC000265941111 329174919 /nfs/dbraw/zinc/17/49/19/329174919.db2.gz QYIQBTNBEHEATF-UHFFFAOYSA-N -1 1 360.479 2.118 20 0 FEADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1OC ZINC000266743497 329255140 /nfs/dbraw/zinc/25/51/40/329255140.db2.gz AFEPAQPOGYYERH-UHFFFAOYSA-N -1 1 355.368 2.494 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(C)o1 ZINC000267026910 329284551 /nfs/dbraw/zinc/28/45/51/329284551.db2.gz KPZSKORJWZYBJC-JTQLQIEISA-N -1 1 359.425 2.102 20 0 FEADMM CCOC(=O)c1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000267063377 329288083 /nfs/dbraw/zinc/28/80/83/329288083.db2.gz XPZXPLTXVKERAM-UHFFFAOYSA-N -1 1 361.423 2.319 20 0 FEADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000267749130 329354721 /nfs/dbraw/zinc/35/47/21/329354721.db2.gz MVGJLNRJKVGEQH-UHFFFAOYSA-N -1 1 372.472 2.240 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268066723 329382125 /nfs/dbraw/zinc/38/21/25/329382125.db2.gz INMSGADEGVEPJA-OAHLLOKOSA-N -1 1 368.412 2.337 20 0 FEADMM CC[C@H]1CC[C@@H](C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])O1 ZINC000268234002 329399536 /nfs/dbraw/zinc/39/95/36/329399536.db2.gz MBGMTJKGONLRTP-LRDDRELGSA-N -1 1 370.471 2.319 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)C2CCC(CO)CC2)c(=O)[n-]1 ZINC000268414268 329417149 /nfs/dbraw/zinc/41/71/49/329417149.db2.gz PBQUYVZSXNNLLM-UHFFFAOYSA-N -1 1 353.488 2.155 20 0 FEADMM CCC(CC)n1nc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1C ZINC000272010479 329744834 /nfs/dbraw/zinc/74/48/34/329744834.db2.gz COPZGEOQBLPZIQ-UHFFFAOYSA-N -1 1 366.443 2.158 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000274213109 329926931 /nfs/dbraw/zinc/92/69/31/329926931.db2.gz QTKDNGAMLDKWQL-LSDHHAIUSA-N -1 1 365.407 2.265 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CO)c1)OCC(F)(F)F ZINC000275140373 330014542 /nfs/dbraw/zinc/01/45/42/330014542.db2.gz RENQFCZXMBSLPC-JTQLQIEISA-N -1 1 362.304 2.100 20 0 FEADMM O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000275361429 330039696 /nfs/dbraw/zinc/03/96/96/330039696.db2.gz XNXWQSAFMUDCKW-YFKPBYRVSA-N -1 1 367.132 2.072 20 0 FEADMM O=C(Cc1cc2c(cc1Br)OCCO2)[N-]O[C@H]1CCCCO1 ZINC000275787088 330088976 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CCN(CCCNC(=O)C(=O)c1ccc([O-])cc1)C(=O)OC(C)(C)C ZINC000806448188 674376899 /nfs/dbraw/zinc/37/68/99/674376899.db2.gz QJXRZJJFKZVYAP-UHFFFAOYSA-N -1 1 350.415 2.338 20 0 FEADMM CCc1ccc2nc(NC(=O)CNC(=O)c3ncccc3[O-])sc2c1 ZINC000481309433 561230331 /nfs/dbraw/zinc/23/03/31/561230331.db2.gz NAVDSCRPXMTRNQ-UHFFFAOYSA-N -1 1 356.407 2.328 20 0 FEADMM COCCn1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(=O)cc1C ZINC000481602587 561237129 /nfs/dbraw/zinc/23/71/29/561237129.db2.gz XXJFCBBSDMSWJP-UHFFFAOYSA-N -1 1 368.393 2.151 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c2cccnc12 ZINC000481842087 561243580 /nfs/dbraw/zinc/24/35/80/561243580.db2.gz GRIJZGNUKIINQC-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2oc3ccc(F)cc3c2C)co1 ZINC000179360550 546939503 /nfs/dbraw/zinc/93/95/03/546939503.db2.gz UMSRRWPBVCKTNL-UHFFFAOYSA-N -1 1 366.370 2.311 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@H](c3ccc(F)cc3)C1)c2=O ZINC000179415010 546949254 /nfs/dbraw/zinc/94/92/54/546949254.db2.gz YEJYPZYDYATVPZ-HNNXBMFYSA-N -1 1 356.357 2.027 20 0 FEADMM C[C@@H]1CCc2c(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])csc2C1 ZINC000179537336 546973625 /nfs/dbraw/zinc/97/36/25/546973625.db2.gz UAXXYPDGPWGKBE-SECBINFHSA-N -1 1 366.464 2.478 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000179541352 546974793 /nfs/dbraw/zinc/97/47/93/546974793.db2.gz ZVYHLJFKZUMAKB-OLZOCXBDSA-N -1 1 366.826 2.435 20 0 FEADMM COc1ccc2c(c1NC(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[nH]1)CCC2 ZINC000482020224 561247533 /nfs/dbraw/zinc/24/75/33/561247533.db2.gz YODUCHVSWBQRBY-UHFFFAOYSA-N -1 1 366.377 2.494 20 0 FEADMM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000179869728 547022837 /nfs/dbraw/zinc/02/28/37/547022837.db2.gz SQMGCIJVNKPHJU-AWEZNQCLSA-N -1 1 360.385 2.213 20 0 FEADMM Cc1cc(C(=O)N(C)c2ccc(F)c(Cl)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000180225274 547069959 /nfs/dbraw/zinc/06/99/59/547069959.db2.gz YLFSFYDOJNJQQB-UHFFFAOYSA-N -1 1 362.748 2.401 20 0 FEADMM Cc1cc(C(=O)N(C)c2ccc(F)c(Cl)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000180225274 547069961 /nfs/dbraw/zinc/06/99/61/547069961.db2.gz YLFSFYDOJNJQQB-UHFFFAOYSA-N -1 1 362.748 2.401 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC000181030981 547235157 /nfs/dbraw/zinc/23/51/57/547235157.db2.gz OBAXPCFBXQWNST-UHFFFAOYSA-N -1 1 357.391 2.287 20 0 FEADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000181098232 547249715 /nfs/dbraw/zinc/24/97/15/547249715.db2.gz VPZMVTNHWYBZAY-UHFFFAOYSA-N -1 1 355.423 2.260 20 0 FEADMM COc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000181107758 547250950 /nfs/dbraw/zinc/25/09/50/547250950.db2.gz ATMMQFZLEGVQHF-UHFFFAOYSA-N -1 1 358.369 2.138 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cn1 ZINC000181124522 547253814 /nfs/dbraw/zinc/25/38/14/547253814.db2.gz ULYVHEJBHATDQF-UHFFFAOYSA-N -1 1 363.374 2.001 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)c(C)c1F ZINC000181142212 547256227 /nfs/dbraw/zinc/25/62/27/547256227.db2.gz KVCRZAOJBOLQKX-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@H](Oc3cccc(F)c3)C1)c2=O ZINC000181908103 547402237 /nfs/dbraw/zinc/40/22/37/547402237.db2.gz IXUGCKLFRROGSO-ZDUSSCGKSA-N -1 1 356.357 2.107 20 0 FEADMM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(OCC(F)(F)F)nc1 ZINC000182399597 547485957 /nfs/dbraw/zinc/48/59/57/547485957.db2.gz JLJRXCNCLVSRBR-UHFFFAOYSA-N -1 1 373.316 2.095 20 0 FEADMM CC(C)(C)N(CCS(C)(=O)=O)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182494285 547504075 /nfs/dbraw/zinc/50/40/75/547504075.db2.gz UVYAUCNVSOIYEB-UHFFFAOYSA-N -1 1 353.440 2.144 20 0 FEADMM O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc2n[nH]nc21 ZINC000182734756 547543298 /nfs/dbraw/zinc/54/32/98/547543298.db2.gz ZRIJWPALFKMAGR-UHFFFAOYSA-N -1 1 351.410 2.085 20 0 FEADMM COCCOc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cn1 ZINC000484263305 561294971 /nfs/dbraw/zinc/29/49/71/561294971.db2.gz VFEXVHDYOWPPPA-UHFFFAOYSA-N -1 1 366.377 2.313 20 0 FEADMM CON(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000183094041 547599794 /nfs/dbraw/zinc/59/97/94/547599794.db2.gz MKHVKWPMZQYVKX-UHFFFAOYSA-N -1 1 364.405 2.273 20 0 FEADMM C[C@H](CN(C)C(=O)C1(c2ccccc2Cl)CCOCC1)c1nn[n-]n1 ZINC000183394166 547649210 /nfs/dbraw/zinc/64/92/10/547649210.db2.gz DPOOBKOVPSOBAP-GFCCVEGCSA-N -1 1 363.849 2.163 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nn[n-]n1 ZINC000183408266 547652891 /nfs/dbraw/zinc/65/28/91/547652891.db2.gz NCBLCNCIIVBYAS-ZDUSSCGKSA-N -1 1 364.409 2.328 20 0 FEADMM C[C@H](CN(C)C(=O)C=Cc1cc(Br)ccc1F)c1nn[n-]n1 ZINC000183417104 547654317 /nfs/dbraw/zinc/65/43/17/547654317.db2.gz VQRAEBNYQMPFOH-BSPAPZMXSA-N -1 1 368.210 2.377 20 0 FEADMM CC(C)n1cc(Br)cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183422792 547656477 /nfs/dbraw/zinc/65/64/77/547656477.db2.gz PINFOLJZZYCTDH-SECBINFHSA-N -1 1 355.240 2.220 20 0 FEADMM Cc1noc(C)c1COc1ccccc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183427673 547656816 /nfs/dbraw/zinc/65/68/16/547656816.db2.gz DQTAFVDXLKMYPN-NSHDSACASA-N -1 1 370.413 2.259 20 0 FEADMM C[C@@H](CN(C)C(=O)CN(Cc1ccccc1)c1ccccc1)c1nn[n-]n1 ZINC000183431491 547657653 /nfs/dbraw/zinc/65/76/53/547657653.db2.gz AXWYIXZKIZXBOZ-INIZCTEOSA-N -1 1 364.453 2.468 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nn[n-]n1 ZINC000183434302 547659436 /nfs/dbraw/zinc/65/94/36/547659436.db2.gz AVPSXIGMHFDKJC-GFCCVEGCSA-N -1 1 367.384 2.446 20 0 FEADMM Cc1ccc(-c2cnc(CCC(=O)N(C)C[C@@H](C)c3nn[n-]n3)o2)cc1 ZINC000183441689 547660178 /nfs/dbraw/zinc/66/01/78/547660178.db2.gz SCFOVGRWMOTXMX-CYBMUJFWSA-N -1 1 354.414 2.358 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccccc1C(=O)c1cccs1)c1nn[n-]n1 ZINC000183448954 547661471 /nfs/dbraw/zinc/66/14/71/547661471.db2.gz PBMFTOCMPOGABG-NSHDSACASA-N -1 1 355.423 2.368 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cs1 ZINC000484506873 561298858 /nfs/dbraw/zinc/29/88/58/561298858.db2.gz SEGFXLRKWWBKBI-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000484691747 561303508 /nfs/dbraw/zinc/30/35/08/561303508.db2.gz UXJDFCRZVXLVTJ-UHFFFAOYSA-N -1 1 357.359 2.061 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)sc1C(=O)[O-] ZINC000184965894 547908536 /nfs/dbraw/zinc/90/85/36/547908536.db2.gz QUJCIDWTTDBJHQ-GFCCVEGCSA-N -1 1 360.501 2.153 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cs1 ZINC000485226507 561315300 /nfs/dbraw/zinc/31/53/00/561315300.db2.gz XCFBQDTYAYTPJP-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM COC(=O)c1c(C)cccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485296837 561316526 /nfs/dbraw/zinc/31/65/26/561316526.db2.gz HHSGJTDISKXGDE-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCC[C@H](CCc1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485414980 561318612 /nfs/dbraw/zinc/31/86/12/561318612.db2.gz XLEZTADPDCRUCY-MRXNPFEDSA-N -1 1 355.438 2.435 20 0 FEADMM Cc1ccc(C(C)(C)CN(C)C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000485596611 561323520 /nfs/dbraw/zinc/32/35/20/561323520.db2.gz DAVOOIKXWPIOHJ-UHFFFAOYSA-N -1 1 355.438 2.262 20 0 FEADMM Cc1nc(Cn2cc(C(=O)[N-]c3c(C)noc3-c3ccccc3)nn2)no1 ZINC000486130452 561338849 /nfs/dbraw/zinc/33/88/49/561338849.db2.gz ZVDNKQZIEPUKNI-UHFFFAOYSA-N -1 1 365.353 2.234 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1 ZINC000486552187 561350590 /nfs/dbraw/zinc/35/05/90/561350590.db2.gz UCSKNZUJKWXULX-UHFFFAOYSA-N -1 1 372.406 2.245 20 0 FEADMM Cn1nccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486573124 561351308 /nfs/dbraw/zinc/35/13/08/561351308.db2.gz RBNCGNYIUSOEKJ-UHFFFAOYSA-N -1 1 352.160 2.262 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)cc1 ZINC000194622732 548506735 /nfs/dbraw/zinc/50/67/35/548506735.db2.gz WTGNTZVBDLPEEM-UHFFFAOYSA-N -1 1 372.406 2.239 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194698952 548516411 /nfs/dbraw/zinc/51/64/11/548516411.db2.gz ZRHXZJONRQEICL-UHFFFAOYSA-N -1 1 354.410 2.147 20 0 FEADMM CC(C)[C@H](C)NC(=O)CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195113096 548578417 /nfs/dbraw/zinc/57/84/17/548578417.db2.gz LSDBNYOITNGFPO-JTQLQIEISA-N -1 1 370.862 2.060 20 0 FEADMM CC(C)[C@H](C)NC(=O)CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113096 548578421 /nfs/dbraw/zinc/57/84/21/548578421.db2.gz LSDBNYOITNGFPO-JTQLQIEISA-N -1 1 370.862 2.060 20 0 FEADMM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1F ZINC000195240673 548601621 /nfs/dbraw/zinc/60/16/21/548601621.db2.gz VCUQUFCRRAOYIZ-UHFFFAOYSA-N -1 1 358.332 2.270 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1 ZINC000195443451 548640834 /nfs/dbraw/zinc/64/08/34/548640834.db2.gz OUBCIOGYEFATPW-UHFFFAOYSA-N -1 1 373.438 2.426 20 0 FEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000195451788 548641752 /nfs/dbraw/zinc/64/17/52/548641752.db2.gz WZRBKQHZWIZOMG-UHFFFAOYSA-N -1 1 362.379 2.072 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(N)=O)c2)c1 ZINC000487337707 561367851 /nfs/dbraw/zinc/36/78/51/561367851.db2.gz OFSZTLBJERQBJO-UHFFFAOYSA-N -1 1 365.411 2.133 20 0 FEADMM Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000237152180 548803684 /nfs/dbraw/zinc/80/36/84/548803684.db2.gz STBFZELCZLXBMI-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM COc1cc(OC)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(OC)c1 ZINC000488463612 561390215 /nfs/dbraw/zinc/39/02/15/561390215.db2.gz SFYQXRJAXKCRJC-UHFFFAOYSA-N -1 1 369.361 2.476 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396284 549124265 /nfs/dbraw/zinc/12/42/65/549124265.db2.gz OTRGQAUIJKGSMV-BPNCWPANSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396284 549124269 /nfs/dbraw/zinc/12/42/69/549124269.db2.gz OTRGQAUIJKGSMV-BPNCWPANSA-N -1 1 374.832 2.265 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1F ZINC000247900512 549390652 /nfs/dbraw/zinc/39/06/52/549390652.db2.gz ANKVDWSOTCVHOA-UHFFFAOYSA-N -1 1 365.342 2.019 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000248431550 549435019 /nfs/dbraw/zinc/43/50/19/549435019.db2.gz UBJGFUATLIEZQK-ICCXJUOJSA-N -1 1 364.247 2.328 20 0 FEADMM Cc1c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cnn1C ZINC000489499017 561413045 /nfs/dbraw/zinc/41/30/45/561413045.db2.gz PXJVVHXMGRUSIB-GFCCVEGCSA-N -1 1 351.325 2.450 20 0 FEADMM COc1ccc(-n2c(SCc3nn[n-]n3)nnc2-c2ccccn2)cc1 ZINC000489619618 561415635 /nfs/dbraw/zinc/41/56/35/561415635.db2.gz HAVIVAKDXSAOHQ-UHFFFAOYSA-N -1 1 366.410 2.143 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(=O)[n-]1 ZINC000253553331 549695226 /nfs/dbraw/zinc/69/52/26/549695226.db2.gz ZPYAQHATWGWNKJ-MJBXVCDLSA-N -1 1 351.472 2.219 20 0 FEADMM Cc1ccc(CNC(=O)CNC(=O)c2ncccc2[O-])c(OC(C)(C)C)c1 ZINC000490173743 561428090 /nfs/dbraw/zinc/42/80/90/561428090.db2.gz IWOMVIGNYBNPIM-UHFFFAOYSA-N -1 1 371.437 2.319 20 0 FEADMM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000262861178 549856638 /nfs/dbraw/zinc/85/66/38/549856638.db2.gz ISGBSLHTYZIAGK-IBGZPJMESA-N -1 1 357.410 2.339 20 0 FEADMM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000262970188 549866556 /nfs/dbraw/zinc/86/65/56/549866556.db2.gz JXCMLFJAOIMTSB-GHTZIAJQSA-N -1 1 371.481 2.331 20 0 FEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263184785 549883828 /nfs/dbraw/zinc/88/38/28/549883828.db2.gz USQUFEBGSAILAE-ZACQAIPSSA-N -1 1 354.491 2.275 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)n(-c2ccccc2F)n1 ZINC000263341751 549896007 /nfs/dbraw/zinc/89/60/07/549896007.db2.gz NOZMJTVEYOEJKT-GXTWGEPZSA-N -1 1 374.416 2.301 20 0 FEADMM COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CCN2C2CC2)c1 ZINC000263548750 549908188 /nfs/dbraw/zinc/90/81/88/549908188.db2.gz JAENBGVUIXGHTN-WNRNVDISSA-N -1 1 372.465 2.446 20 0 FEADMM COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2CC(=O)NCC(=O)[O-])c1 ZINC000263565435 549909336 /nfs/dbraw/zinc/90/93/36/549909336.db2.gz FMZBNRPNXQYSFF-NQIIRXRSSA-N -1 1 368.433 2.427 20 0 FEADMM C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000263571880 549909626 /nfs/dbraw/zinc/90/96/26/549909626.db2.gz KAPBGMYAIGPAJF-ICCXJUOJSA-N -1 1 362.323 2.135 20 0 FEADMM Cc1cccc(C)c1OC[C@H](NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000263582329 549910227 /nfs/dbraw/zinc/91/02/27/549910227.db2.gz YLMHHJUYNZJPSK-KRWDZBQOSA-N -1 1 356.422 2.214 20 0 FEADMM NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000263699624 549921595 /nfs/dbraw/zinc/92/15/95/549921595.db2.gz MUCAIIVSCYRHDW-UHFFFAOYSA-N -1 1 355.394 2.052 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000264160481 549985961 /nfs/dbraw/zinc/98/59/61/549985961.db2.gz BGYZVPONBSXRMK-UHFFFAOYSA-N -1 1 360.435 2.100 20 0 FEADMM Cc1cc(NC(=O)CNC(=O)c2ncccc2[O-])ccc1C(F)(F)F ZINC000491087936 561442927 /nfs/dbraw/zinc/44/29/27/561442927.db2.gz OYSDDQNFZMMUCW-UHFFFAOYSA-N -1 1 353.300 2.483 20 0 FEADMM COc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1[N-]S(C)(=O)=O ZINC000268254162 550040604 /nfs/dbraw/zinc/04/06/04/550040604.db2.gz TYFVTPXTNMNPBE-VXGBXAGGSA-N -1 1 353.444 2.331 20 0 FEADMM COCCC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCC1 ZINC000268539512 550084769 /nfs/dbraw/zinc/08/47/69/550084769.db2.gz KMKDCXIMOLJNOW-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM CCOC[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCO1 ZINC000529894377 562390044 /nfs/dbraw/zinc/39/00/44/562390044.db2.gz NKSCYSZXEVFBPY-LBPRGKRZSA-N -1 1 350.802 2.471 20 0 FEADMM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)Nc1nnn[n-]1)OCC3 ZINC000270305307 550260615 /nfs/dbraw/zinc/26/06/15/550260615.db2.gz FMACIQCNSVGXPS-GOSISDBHSA-N -1 1 354.414 2.450 20 0 FEADMM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)Nc1nn[n-]n1)OCC3 ZINC000270305307 550260617 /nfs/dbraw/zinc/26/06/17/550260617.db2.gz FMACIQCNSVGXPS-GOSISDBHSA-N -1 1 354.414 2.450 20 0 FEADMM COc1cc(Cl)c(Cl)cc1C(=O)Nc1nc(SCCO)n[nH]1 ZINC000270911298 550320439 /nfs/dbraw/zinc/32/04/39/550320439.db2.gz UTKNKEUFDMSIMJ-UHFFFAOYSA-N -1 1 363.226 2.457 20 0 FEADMM C[C@H](O)CCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271238397 550356703 /nfs/dbraw/zinc/35/67/03/550356703.db2.gz HBGPALYNIMRAOW-QMMMGPOBSA-N -1 1 350.293 2.004 20 0 FEADMM CC[C@@]1(c2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)CCC(=O)NC1=O ZINC000271255060 550357897 /nfs/dbraw/zinc/35/78/97/550357897.db2.gz IJXWPZAQUFBMHA-FQEVSTJZSA-N -1 1 368.389 2.435 20 0 FEADMM C[C@@]1(O)CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000271354253 550368121 /nfs/dbraw/zinc/36/81/21/550368121.db2.gz HURWUGLJJMNECW-CQSZACIVSA-N -1 1 362.304 2.100 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000271449969 550376041 /nfs/dbraw/zinc/37/60/41/550376041.db2.gz WZFWOPYPXCFBBQ-ZDUSSCGKSA-N -1 1 363.439 2.324 20 0 FEADMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000494442591 561469864 /nfs/dbraw/zinc/46/98/64/561469864.db2.gz FDKKJGXBKOJCQF-ZDUSSCGKSA-N -1 1 366.396 2.413 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(OC)cc1 ZINC000272800481 550471510 /nfs/dbraw/zinc/47/15/10/550471510.db2.gz BIYYQQIBUZBIBQ-LBPRGKRZSA-N -1 1 370.452 2.368 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000272971277 550479185 /nfs/dbraw/zinc/47/91/85/550479185.db2.gz JFPZHJRJOSCAOC-GDBMZVCRSA-N -1 1 360.458 2.097 20 0 FEADMM COCc1nsc([N-]C(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)n1 ZINC000273064756 550483412 /nfs/dbraw/zinc/48/34/12/550483412.db2.gz IJMNGULBXFFEAU-UHFFFAOYSA-N -1 1 373.431 2.258 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000273340986 550494992 /nfs/dbraw/zinc/49/49/92/550494992.db2.gz AMZDEMQBZQOPIS-PXNSSMCTSA-N -1 1 368.437 2.169 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(CC(=O)NC3CCCCC3)no2)c1 ZINC000273497623 550500614 /nfs/dbraw/zinc/50/06/14/550500614.db2.gz XWHCGHOLFAJJTP-UHFFFAOYSA-N -1 1 358.398 2.392 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000273760574 550510521 /nfs/dbraw/zinc/51/05/21/550510521.db2.gz WHLJLMCKBSCZRM-VXGBXAGGSA-N -1 1 372.462 2.231 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc(Cl)c1[O-] ZINC000273800324 550511961 /nfs/dbraw/zinc/51/19/61/550511961.db2.gz AOPCHPBKXNPCQI-SNVBAGLBSA-N -1 1 352.818 2.185 20 0 FEADMM Cn1cc(-c2nc3ccccn3c2NC(=O)[N-]O[C@H]2CCCCO2)cn1 ZINC000274805984 550556015 /nfs/dbraw/zinc/55/60/15/550556015.db2.gz GTLSQMLDIPBIPR-AWEZNQCLSA-N -1 1 356.386 2.315 20 0 FEADMM C[C@H](CN(C)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1nn[n-]n1 ZINC000274825558 550557732 /nfs/dbraw/zinc/55/77/32/550557732.db2.gz YJGFDZNRBDCDKP-CYBMUJFWSA-N -1 1 374.445 2.203 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cc(Cl)c1[O-] ZINC000276661087 550582870 /nfs/dbraw/zinc/58/28/70/550582870.db2.gz FVHJUEHONVGXEC-LBPRGKRZSA-N -1 1 352.818 2.281 20 0 FEADMM CCOc1ccc(CN2CCN(C(=O)c3ncc(C)cc3[O-])CC2)cc1 ZINC000494895324 561478680 /nfs/dbraw/zinc/47/86/80/561478680.db2.gz VBTMPJGNUMRNLW-UHFFFAOYSA-N -1 1 355.438 2.452 20 0 FEADMM Cc1cccc(C(=O)N2CCCN(C(=O)c3ncc(C)cc3[O-])CC2)c1 ZINC000494990556 561480558 /nfs/dbraw/zinc/48/05/58/561480558.db2.gz AYFJUZNWAPWJLY-UHFFFAOYSA-N -1 1 353.422 2.392 20 0 FEADMM CCOc1cc(-c2noc([C@@H](C)NS(C)(=O)=O)n2)cc(Cl)c1[O-] ZINC000278172436 550756834 /nfs/dbraw/zinc/75/68/34/550756834.db2.gz WKQFBIVRXOBIHK-SSDOTTSWSA-N -1 1 361.807 2.105 20 0 FEADMM Cc1cnc(C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c([O-])c1 ZINC000495046256 561481622 /nfs/dbraw/zinc/48/16/22/561481622.db2.gz MGCGMVJQBWATSE-CYBMUJFWSA-N -1 1 369.421 2.244 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3ccc(C)s3)CC2)n1 ZINC000278904884 550834483 /nfs/dbraw/zinc/83/44/83/550834483.db2.gz VNHZSHQPNUKVJW-UHFFFAOYSA-N -1 1 362.455 2.300 20 0 FEADMM COc1cc(NC(=O)c2cc(C)n(C)c2C)ccc1[N-]S(C)(=O)=O ZINC000495240960 561485258 /nfs/dbraw/zinc/48/52/58/561485258.db2.gz RSDUNXXXHGDMNA-UHFFFAOYSA-N -1 1 351.428 2.274 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)c3ccc(N4CCCCCC4)nc3)ccnc1-2 ZINC000279792421 550929261 /nfs/dbraw/zinc/92/92/61/550929261.db2.gz OOASQJHNNHYNAE-KQWNVCNZSA-N -1 1 350.426 2.370 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)c1C ZINC000279994720 550950891 /nfs/dbraw/zinc/95/08/91/550950891.db2.gz RLYJEVWJIOBWCD-UHFFFAOYSA-N -1 1 373.381 2.385 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000280129081 550963488 /nfs/dbraw/zinc/96/34/88/550963488.db2.gz SOBGUZLLYYUYEM-MEDUHNTESA-N -1 1 358.442 2.010 20 0 FEADMM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280505860 551001373 /nfs/dbraw/zinc/00/13/73/551001373.db2.gz DGWBZHXWBNHBTC-SSDOTTSWSA-N -1 1 357.234 2.278 20 0 FEADMM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000280872145 551041071 /nfs/dbraw/zinc/04/10/71/551041071.db2.gz FJRQTEBXYNNBJX-KRWDZBQOSA-N -1 1 352.390 2.055 20 0 FEADMM O=C(N[C@H](CN1CCCC1=O)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000280872149 551041206 /nfs/dbraw/zinc/04/12/06/551041206.db2.gz FJRQTEBXYNNBJX-QGZVFWFLSA-N -1 1 352.390 2.055 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@H]1c1cccnc1)c1cc(F)c(F)cc1F ZINC000281260974 551079046 /nfs/dbraw/zinc/07/90/46/551079046.db2.gz VMPQRZHVWFFZGM-DZGCQCFKSA-N -1 1 358.341 2.307 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000496869410 561496210 /nfs/dbraw/zinc/49/62/10/561496210.db2.gz RTIQSVPSVONREZ-ZDUSSCGKSA-N -1 1 359.813 2.187 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)co1 ZINC000497117893 561497373 /nfs/dbraw/zinc/49/73/73/561497373.db2.gz WTBRLXYVTZHGLM-GFCCVEGCSA-N -1 1 368.842 2.471 20 0 FEADMM Cc1noc(C)c1CCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281750344 551138912 /nfs/dbraw/zinc/13/89/12/551138912.db2.gz PKHXKQUGZZYMRL-UHFFFAOYSA-N -1 1 361.364 2.141 20 0 FEADMM CCOC(=O)CN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)(C)C ZINC000281869013 551150806 /nfs/dbraw/zinc/15/08/06/551150806.db2.gz OSVYIVSRGRZSDH-UHFFFAOYSA-N -1 1 369.487 2.335 20 0 FEADMM COCCOC1CCC(C(=O)Nc2cc(C(=O)OC)ccc2[O-])CC1 ZINC000282539362 551244072 /nfs/dbraw/zinc/24/40/72/551244072.db2.gz CRNWRSFQBGADGC-UHFFFAOYSA-N -1 1 351.399 2.339 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C(N)=O ZINC000497470334 561501498 /nfs/dbraw/zinc/50/14/98/561501498.db2.gz NTXCHYDHSMVUGK-UHFFFAOYSA-N -1 1 352.437 2.317 20 0 FEADMM O=C(c1cnc(-c2ccccc2F)s1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282865758 551279351 /nfs/dbraw/zinc/27/93/51/551279351.db2.gz HXMGCKLHCMRLPD-JTQLQIEISA-N -1 1 373.413 2.380 20 0 FEADMM COCc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282966299 551290976 /nfs/dbraw/zinc/29/09/76/551290976.db2.gz RWDYSJFFSABTGR-LLVKDONJSA-N -1 1 356.382 2.010 20 0 FEADMM O=C(NCc1ccnc(N2CCCCC2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000283008100 551297203 /nfs/dbraw/zinc/29/72/03/551297203.db2.gz LCAKFJPWKONMGV-UHFFFAOYSA-N -1 1 368.466 2.333 20 0 FEADMM CCc1onc(C)c1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000497731555 561507407 /nfs/dbraw/zinc/50/74/07/561507407.db2.gz BIDBHSYXUITSEP-UHFFFAOYSA-N -1 1 353.400 2.178 20 0 FEADMM C[C@@H](O)C[C@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000283435416 551365426 /nfs/dbraw/zinc/36/54/26/551365426.db2.gz MYUJKUZGXXFYQV-IUODEOHRSA-N -1 1 356.451 2.303 20 0 FEADMM COC[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000283688833 551409761 /nfs/dbraw/zinc/40/97/61/551409761.db2.gz SUVKZMSEDSYWFB-ZYHUDNBSSA-N -1 1 350.802 2.470 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cn1 ZINC000498019707 561514051 /nfs/dbraw/zinc/51/40/51/561514051.db2.gz CUWDJUMGIKUUIM-UHFFFAOYSA-N -1 1 356.423 2.290 20 0 FEADMM O=S(=O)(CCC(F)(F)F)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000284463016 551554080 /nfs/dbraw/zinc/55/40/80/551554080.db2.gz XYLGWMBDKKJFCQ-JTQLQIEISA-N -1 1 365.295 2.308 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1Cl ZINC000285095950 551704016 /nfs/dbraw/zinc/70/40/16/551704016.db2.gz NEHOOAIJLQFRAR-UHFFFAOYSA-N -1 1 369.834 2.485 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000285528373 551770400 /nfs/dbraw/zinc/77/04/00/551770400.db2.gz RERYGFAFMHRWND-UHFFFAOYSA-N -1 1 368.499 2.200 20 0 FEADMM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000286230390 551863944 /nfs/dbraw/zinc/86/39/44/551863944.db2.gz JQVGEVXKMJKVFT-OAHLLOKOSA-N -1 1 362.451 2.041 20 0 FEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287056793 551957597 /nfs/dbraw/zinc/95/75/97/551957597.db2.gz GOBZQBXFZMRFRE-YWAISQIOSA-N -1 1 357.389 2.379 20 0 FEADMM COC(=O)C(C)(C)c1ccc(NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287165143 551971657 /nfs/dbraw/zinc/97/16/57/551971657.db2.gz MODODLOPGUUBNU-HAHDFKILSA-N -1 1 367.409 2.436 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc2n[nH]cc21 ZINC000499276035 561547446 /nfs/dbraw/zinc/54/74/46/561547446.db2.gz WNYHNJHTCUEUCT-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM COc1ccccc1[C@@H]1CCN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1 ZINC000287611244 552025051 /nfs/dbraw/zinc/02/50/51/552025051.db2.gz MYVNCGYYWRTIIR-GTMGWDBPSA-N -1 1 351.410 2.372 20 0 FEADMM CCCCNC(=O)c1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000287654837 552030863 /nfs/dbraw/zinc/03/08/63/552030863.db2.gz PHIZEZUROOKZLU-UHFFFAOYSA-N -1 1 354.406 2.421 20 0 FEADMM O=C(NC1CCCCC1)C1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000287886511 552058856 /nfs/dbraw/zinc/05/88/56/552058856.db2.gz ZRPQETBGIBKEJE-UHFFFAOYSA-N -1 1 358.438 2.262 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000288034133 552077926 /nfs/dbraw/zinc/07/79/26/552077926.db2.gz LOSZBKFFTMPUNZ-LBPRGKRZSA-N -1 1 361.398 2.350 20 0 FEADMM COc1cc(OC)cc(OCCCNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000288090213 552089293 /nfs/dbraw/zinc/08/92/93/552089293.db2.gz WLNURKSVXBQFAM-UHFFFAOYSA-N -1 1 359.378 2.177 20 0 FEADMM COc1ccc(Br)c([N-]S(=O)(=O)c2cn(C)nc2C)c1 ZINC000288614350 552185069 /nfs/dbraw/zinc/18/50/69/552185069.db2.gz VBKRIHCAGHHKDH-UHFFFAOYSA-N -1 1 360.233 2.300 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)C1)C(=O)OC(C)(C)C ZINC000289119620 552268932 /nfs/dbraw/zinc/26/89/32/552268932.db2.gz NVFPOWXXDCLNKM-ZDUSSCGKSA-N -1 1 362.426 2.290 20 0 FEADMM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1c(Cl)cccc1Cl ZINC000289386399 552312532 /nfs/dbraw/zinc/31/25/32/552312532.db2.gz JQLIKQOPGSWYOE-VIFPVBQESA-N -1 1 370.240 2.223 20 0 FEADMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000289421769 552318299 /nfs/dbraw/zinc/31/82/99/552318299.db2.gz BZDOELHRSUAIEQ-RQJHMYQMSA-N -1 1 357.657 2.199 20 0 FEADMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C1CC1 ZINC000289506654 552332284 /nfs/dbraw/zinc/33/22/84/552332284.db2.gz LJASMPCPKPGORL-LLVKDONJSA-N -1 1 353.271 2.464 20 0 FEADMM CCc1cc2c(CN3C[C@@H](C)S(=O)(=O)[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000289609095 552349339 /nfs/dbraw/zinc/34/93/39/552349339.db2.gz SAUGMQKAWGCWHM-TXEJJXNPSA-N -1 1 365.451 2.068 20 0 FEADMM CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000290044035 552419069 /nfs/dbraw/zinc/41/90/69/552419069.db2.gz ZDTCMPPZXYXVHD-AWEZNQCLSA-N -1 1 356.488 2.103 20 0 FEADMM CCc1nnc(C)cc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000290168377 552437351 /nfs/dbraw/zinc/43/73/51/552437351.db2.gz KJCLAZPUXFNXAU-CHIMOYNISA-N -1 1 372.391 2.265 20 0 FEADMM Cc1ccc(OCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290256997 552449378 /nfs/dbraw/zinc/44/93/78/552449378.db2.gz AFRVAEWRPUTCND-ZDUSSCGKSA-N -1 1 358.360 2.291 20 0 FEADMM CC[C@@]1(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)OCCc2ccccc21 ZINC000290375211 552469442 /nfs/dbraw/zinc/46/94/42/552469442.db2.gz MGWCUCXZESIQNY-HLILLCKBSA-N -1 1 365.437 2.342 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O)c(COC(C)C)c2)co1 ZINC000290527130 552493077 /nfs/dbraw/zinc/49/30/77/552493077.db2.gz HPMDLFIORNNESS-UHFFFAOYSA-N -1 1 368.411 2.071 20 0 FEADMM N=c1[n-]c(C2CC2)ncc1C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000500925800 561585874 /nfs/dbraw/zinc/58/58/74/561585874.db2.gz OVPCMPHLZTWKFJ-UHFFFAOYSA-N -1 1 361.405 2.399 20 0 FEADMM C[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccn1 ZINC000290581783 552502218 /nfs/dbraw/zinc/50/22/18/552502218.db2.gz CBSNKGQMYMEVQP-NWDGAFQWSA-N -1 1 358.364 2.243 20 0 FEADMM O=C([N-]C[C@H]1CCCN(c2nnc(-c3ccccn3)s2)C1)C(F)(F)F ZINC000290586843 552502423 /nfs/dbraw/zinc/50/24/23/552502423.db2.gz CLSDNRKGFIRXKG-SNVBAGLBSA-N -1 1 371.388 2.495 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC=CCC1 ZINC000290595217 552503786 /nfs/dbraw/zinc/50/37/86/552503786.db2.gz VZIGJNJBTRPTKJ-SNVBAGLBSA-N -1 1 363.266 2.497 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2cc3n(n2)CCCC3)C1)C(F)(F)F ZINC000290603323 552505312 /nfs/dbraw/zinc/50/53/12/552505312.db2.gz HKHRIBJJEPITFB-NSHDSACASA-N -1 1 373.379 2.142 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cc(C2CC2)n(C)n1 ZINC000290809260 552541811 /nfs/dbraw/zinc/54/18/11/552541811.db2.gz FEYAFPVTLKRNGO-UHFFFAOYSA-N -1 1 354.414 2.234 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000290885207 552555685 /nfs/dbraw/zinc/55/56/85/552555685.db2.gz ZBYPSEMGKDHBPK-NEPJUHHUSA-N -1 1 357.819 2.027 20 0 FEADMM Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291232402 552603918 /nfs/dbraw/zinc/60/39/18/552603918.db2.gz WXUNLUDLGFXAJU-NSHDSACASA-N -1 1 374.407 2.248 20 0 FEADMM CCn1nc(C)c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1C ZINC000291350755 552617499 /nfs/dbraw/zinc/61/74/99/552617499.db2.gz ACESCKMMBPSOFQ-GFCCVEGCSA-N -1 1 360.380 2.051 20 0 FEADMM CCC[C@H](NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C)c1nn[n-]n1 ZINC000291863784 552669675 /nfs/dbraw/zinc/66/96/75/552669675.db2.gz GUROICNPIHGQFY-ZETCQYMHSA-N -1 1 365.747 2.034 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)cnn1C ZINC000291962081 552679178 /nfs/dbraw/zinc/67/91/78/552679178.db2.gz RSNMDDABKFONPP-UHFFFAOYSA-N -1 1 370.862 2.321 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)Cc1ccccc1 ZINC000292057071 552688995 /nfs/dbraw/zinc/68/89/95/552688995.db2.gz OFNMUOWDAADGQX-DGCLKSJQSA-N -1 1 364.389 2.048 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1ccc(Br)cn1 ZINC000501446654 561597612 /nfs/dbraw/zinc/59/76/12/561597612.db2.gz BWAKIKQQPBULAE-RKDXNWHRSA-N -1 1 371.203 2.283 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc(OC)c1C ZINC000292351543 552718776 /nfs/dbraw/zinc/71/87/76/552718776.db2.gz PYCXCHGSHLOKCR-UHFFFAOYSA-N -1 1 355.368 2.413 20 0 FEADMM COC(=O)[C@@H](C)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292800150 552759554 /nfs/dbraw/zinc/75/95/54/552759554.db2.gz HURCVDXTOCLHRG-MRVPVSSYSA-N -1 1 367.199 2.336 20 0 FEADMM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000293046644 552783820 /nfs/dbraw/zinc/78/38/20/552783820.db2.gz RSFLHDIMTOIMHQ-SECBINFHSA-N -1 1 368.286 2.219 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@@](C)(O)c1ccccc1 ZINC000293929529 552868791 /nfs/dbraw/zinc/86/87/91/552868791.db2.gz QHECKSHRWILEJG-SUYBPPKGSA-N -1 1 372.387 2.342 20 0 FEADMM COc1ccc(C=C(C)C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1F ZINC000294147774 552885678 /nfs/dbraw/zinc/88/56/78/552885678.db2.gz HTOOBZQCAFGQIX-RUNBWSAHSA-N -1 1 360.389 2.055 20 0 FEADMM O=C(CSc1nccc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000294235357 552890067 /nfs/dbraw/zinc/89/00/67/552890067.db2.gz MNWDQQQZBUDQEC-CYBMUJFWSA-N -1 1 369.450 2.145 20 0 FEADMM Cc1ccc(-c2cncc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)c2)cc1 ZINC000294328007 552897478 /nfs/dbraw/zinc/89/74/78/552897478.db2.gz RKQMTEVJRKLUOZ-OAHLLOKOSA-N -1 1 363.421 2.488 20 0 FEADMM C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294391238 552902267 /nfs/dbraw/zinc/90/22/67/552902267.db2.gz VIVVWWYMHJWWGM-AWEZNQCLSA-N -1 1 351.878 2.174 20 0 FEADMM Cc1cc(-c2noc(CN3CCCC[C@@H]3c3nc(=O)[n-][nH]3)n2)ccc1F ZINC000295145095 552962920 /nfs/dbraw/zinc/96/29/20/552962920.db2.gz DQCAEDGDICOJCH-CYBMUJFWSA-N -1 1 358.377 2.323 20 0 FEADMM COCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000295167684 552965527 /nfs/dbraw/zinc/96/55/27/552965527.db2.gz FWJDHDVQWACOKL-UHFFFAOYSA-N -1 1 361.485 2.181 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000295172675 552966190 /nfs/dbraw/zinc/96/61/90/552966190.db2.gz GUIHAMGXEIVTRG-UHFFFAOYSA-N -1 1 354.350 2.273 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295259133 552977797 /nfs/dbraw/zinc/97/77/97/552977797.db2.gz IKCUYOBDSGLOTE-KBPBESRZSA-N -1 1 361.410 2.126 20 0 FEADMM CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295268935 552979026 /nfs/dbraw/zinc/97/90/26/552979026.db2.gz OIXQRLCZLHPWES-OAHLLOKOSA-N -1 1 354.435 2.404 20 0 FEADMM CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3cnn[nH]3)ccc21 ZINC000295541613 553023247 /nfs/dbraw/zinc/02/32/47/553023247.db2.gz WVXWBIDTKGABNF-UHFFFAOYSA-N -1 1 357.414 2.422 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1nc(-c2ccncc2)no1 ZINC000295937622 553078131 /nfs/dbraw/zinc/07/81/31/553078131.db2.gz KSBZAWWMYINCJN-LBPRGKRZSA-N -1 1 372.397 2.377 20 0 FEADMM C[C@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1cccc(C2CC2)c1 ZINC000296218530 553124340 /nfs/dbraw/zinc/12/43/40/553124340.db2.gz MROCRZGZCKFHGM-WXGYADNRSA-N -1 1 363.421 2.035 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1 ZINC000298110206 553385624 /nfs/dbraw/zinc/38/56/24/553385624.db2.gz MCLPIERIRMSJRB-SECBINFHSA-N -1 1 357.819 2.279 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nc(C)cc(N)n1)c1nc(C)cs1 ZINC000298294281 553409114 /nfs/dbraw/zinc/40/91/14/553409114.db2.gz GWELXUUZYKADNB-LBPRGKRZSA-N -1 1 366.468 2.140 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C3(Cc4ccc(F)cc4)CCOCC3)ccnc1-2 ZINC000298766089 553469858 /nfs/dbraw/zinc/46/98/58/553469858.db2.gz VMDFCEXARJYETQ-ULJHMMPZSA-N -1 1 368.412 2.459 20 0 FEADMM CN1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC000298783761 553472186 /nfs/dbraw/zinc/47/21/86/553472186.db2.gz AZMIOUYQYKRNDO-UHFFFAOYSA-N -1 1 368.359 2.374 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)ccc1Br ZINC000298813306 553476189 /nfs/dbraw/zinc/47/61/89/553476189.db2.gz AJFSAFFTJONKTF-NSHDSACASA-N -1 1 365.231 2.189 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cnn1C1CCCCC1 ZINC000298938360 553492250 /nfs/dbraw/zinc/49/22/50/553492250.db2.gz NFONRJRVMVJQNP-CYBMUJFWSA-N -1 1 358.446 2.128 20 0 FEADMM Cc1nc(-c2ccc(NCCNC(=O)c3ccco3)nc2)[n-]c(=O)c1C ZINC000301332063 553642973 /nfs/dbraw/zinc/64/29/73/553642973.db2.gz BQQLWGJNLVUWAQ-UHFFFAOYSA-N -1 1 353.382 2.296 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000325470060 553776348 /nfs/dbraw/zinc/77/63/48/553776348.db2.gz ACEPVRBMXMPMKG-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(C(=O)N4CCCC4)CC3)cnc2n1 ZINC000329162270 553893138 /nfs/dbraw/zinc/89/31/38/553893138.db2.gz ZMVVTBORKNYICB-UHFFFAOYSA-N -1 1 368.437 2.118 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC(C(=O)N4CCCC4)CC3)c[n-]c2n1 ZINC000329162270 553893140 /nfs/dbraw/zinc/89/31/40/553893140.db2.gz ZMVVTBORKNYICB-UHFFFAOYSA-N -1 1 368.437 2.118 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)sc1C ZINC000329941220 554036328 /nfs/dbraw/zinc/03/63/28/554036328.db2.gz GQBBMYCDRGSFFJ-UHFFFAOYSA-N -1 1 352.485 2.234 20 0 FEADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1F ZINC000507564820 561733420 /nfs/dbraw/zinc/73/34/20/561733420.db2.gz KERLJJNRAGGCDF-UHFFFAOYSA-N -1 1 364.354 2.274 20 0 FEADMM O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507877769 561744216 /nfs/dbraw/zinc/74/42/16/561744216.db2.gz WTJIBPKLHDLIQW-NSHDSACASA-N -1 1 357.345 2.324 20 0 FEADMM O=C(c1csc(Nc2ccccn2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507902022 561745193 /nfs/dbraw/zinc/74/51/93/561745193.db2.gz LPWBEFFEWMJKGK-JTQLQIEISA-N -1 1 372.410 2.390 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1c(F)cccc1CO)c1ccccc1 ZINC000507966539 561747518 /nfs/dbraw/zinc/74/75/18/561747518.db2.gz NLPDCRDKIXMBIJ-CQSZACIVSA-N -1 1 367.398 2.017 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@H](C)OC ZINC000508531345 561764885 /nfs/dbraw/zinc/76/48/85/561764885.db2.gz MKGLFWUCHHHINL-QMMMGPOBSA-N -1 1 370.254 2.483 20 0 FEADMM CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000331263253 554237927 /nfs/dbraw/zinc/23/79/27/554237927.db2.gz FEVGAORIABPARL-NSHDSACASA-N -1 1 358.847 2.048 20 0 FEADMM CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000331263252 554238254 /nfs/dbraw/zinc/23/82/54/554238254.db2.gz FEVGAORIABPARL-LLVKDONJSA-N -1 1 358.847 2.048 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000508887765 561776637 /nfs/dbraw/zinc/77/66/37/561776637.db2.gz GEKPQMICJYKXGQ-VIFPVBQESA-N -1 1 368.238 2.237 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)o1 ZINC000331439227 554265087 /nfs/dbraw/zinc/26/50/87/554265087.db2.gz VMRMIZSNFWQHKK-LBPRGKRZSA-N -1 1 366.443 2.057 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1 ZINC000509076734 561783984 /nfs/dbraw/zinc/78/39/84/561783984.db2.gz YFBICOBOMMLSFS-UHFFFAOYSA-N -1 1 366.464 2.334 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509167274 561787957 /nfs/dbraw/zinc/78/79/57/561787957.db2.gz DDWOYMHSJKNQDV-JTQLQIEISA-N -1 1 354.815 2.351 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCCO)c2)c1 ZINC000509186172 561788967 /nfs/dbraw/zinc/78/89/67/561788967.db2.gz SGKLNFGELUOWSV-UHFFFAOYSA-N -1 1 362.451 2.250 20 0 FEADMM O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1ccc(Br)o1 ZINC000331754866 554321145 /nfs/dbraw/zinc/32/11/45/554321145.db2.gz ABESCSYOSRXVGJ-UHFFFAOYSA-N -1 1 360.233 2.053 20 0 FEADMM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000331846262 554329376 /nfs/dbraw/zinc/32/93/76/554329376.db2.gz CDUBQCBMMQBCEU-LLVKDONJSA-N -1 1 365.890 2.301 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@@H](O)C2)cc1 ZINC000509340294 561795715 /nfs/dbraw/zinc/79/57/15/561795715.db2.gz BMRXUPJPMRCCCL-KDOFPFPSSA-N -1 1 374.462 2.249 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2c(F)cccc2SC)c1 ZINC000509572880 561805700 /nfs/dbraw/zinc/80/57/00/561805700.db2.gz PQIKFZMFIHKNRL-UHFFFAOYSA-N -1 1 359.400 2.406 20 0 FEADMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509632848 561807968 /nfs/dbraw/zinc/80/79/68/561807968.db2.gz HOYZWLNJABTSPL-YGRLFVJLSA-N -1 1 360.439 2.345 20 0 FEADMM COc1cc(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)cc(Cl)c1[O-] ZINC000332304564 554421226 /nfs/dbraw/zinc/42/12/26/554421226.db2.gz MKNRCOZLMZCGHS-UHFFFAOYSA-N -1 1 364.833 2.485 20 0 FEADMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000510017330 561822076 /nfs/dbraw/zinc/82/20/76/561822076.db2.gz BDVLCFCJYOMSCK-NSHDSACASA-N -1 1 370.434 2.346 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 ZINC000510002677 561821481 /nfs/dbraw/zinc/82/14/81/561821481.db2.gz NRMQBUJNDPCNMM-OAHLLOKOSA-N -1 1 370.409 2.025 20 0 FEADMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)C1(C)C ZINC000332511452 554459259 /nfs/dbraw/zinc/45/92/59/554459259.db2.gz ZPNXEDGTHLMBOC-HIFRSBDPSA-N -1 1 365.854 2.324 20 0 FEADMM COc1cc(C(=O)N2CCn3c(nnc3C(C)C)C2)cc(Cl)c1[O-] ZINC000332589005 554477634 /nfs/dbraw/zinc/47/76/34/554477634.db2.gz DOYOFFNEGOJDGW-UHFFFAOYSA-N -1 1 350.806 2.425 20 0 FEADMM O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Cl)cc1[O-] ZINC000333025969 554560710 /nfs/dbraw/zinc/56/07/10/554560710.db2.gz GITCWMOMTOCRIF-CYBMUJFWSA-N -1 1 351.834 2.456 20 0 FEADMM Cc1ccc2[nH]cc(C(=O)N3CCC[C@@H](N4CCCC4=O)CC3)c(=O)c2c1 ZINC000333997098 554666384 /nfs/dbraw/zinc/66/63/84/554666384.db2.gz OPQOMIFOKWGGFN-OAHLLOKOSA-N -1 1 367.449 2.454 20 0 FEADMM COc1cc(-c2noc(CNC(=O)C3CC3)n2)cc(Br)c1[O-] ZINC000350765125 554811645 /nfs/dbraw/zinc/81/16/45/554811645.db2.gz ZVWOUARZLQCUNF-UHFFFAOYSA-N -1 1 368.187 2.240 20 0 FEADMM Cc1cc(CC[N-]S(=O)(=O)c2sccc2Br)on1 ZINC000511415495 561868500 /nfs/dbraw/zinc/86/85/00/561868500.db2.gz SJJFAQFUKMWJRF-UHFFFAOYSA-N -1 1 351.247 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)o1 ZINC000361155047 554906717 /nfs/dbraw/zinc/90/67/17/554906717.db2.gz UGSAIFRHZQRWHZ-CQSZACIVSA-N -1 1 366.464 2.118 20 0 FEADMM O=C(N=c1nc(-c2c(F)cccc2F)[nH][n-]1)c1ncn(-c2ccccc2)n1 ZINC000362379460 554967707 /nfs/dbraw/zinc/96/77/07/554967707.db2.gz IQWCPSRLFZXCOI-UHFFFAOYSA-N -1 1 367.319 2.583 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3CC[C@H]3C)c2)n1 ZINC000511891405 561884413 /nfs/dbraw/zinc/88/44/13/561884413.db2.gz ZJPGWXOHOGAABA-BXUZGUMPSA-N -1 1 357.414 2.246 20 0 FEADMM C[C@H](C(=O)NCC(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363511014 555124140 /nfs/dbraw/zinc/12/41/40/555124140.db2.gz RIYFONNUMVEHFO-LLVKDONJSA-N -1 1 358.360 2.354 20 0 FEADMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512009868 561888837 /nfs/dbraw/zinc/88/88/37/561888837.db2.gz OKWQGJXWZKAUSC-QFYYESIMSA-N -1 1 358.373 2.319 20 0 FEADMM CCN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H](COC)Cc1ccccc1 ZINC000512160453 561894653 /nfs/dbraw/zinc/89/46/53/561894653.db2.gz QCNCLFRZKVIWDD-HNNXBMFYSA-N -1 1 368.437 2.394 20 0 FEADMM Cc1nccc(CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3[O-])C2=O)n1 ZINC000363977172 555225897 /nfs/dbraw/zinc/22/58/97/555225897.db2.gz SXTBIYAWGGTFHT-HNNXBMFYSA-N -1 1 374.828 2.065 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc(Cl)c1[O-] ZINC000364006406 555232087 /nfs/dbraw/zinc/23/20/87/555232087.db2.gz UIZIXIJNHLAYFJ-DZGCQCFKSA-N -1 1 355.818 2.464 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1Br ZINC000616013230 555263297 /nfs/dbraw/zinc/26/32/97/555263297.db2.gz SQVHZUQNHSDFIO-JTQLQIEISA-N -1 1 363.215 2.472 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000365461705 555582085 /nfs/dbraw/zinc/58/20/85/555582085.db2.gz MRQZQYWUOILHQP-TZMCWYRMSA-N -1 1 363.462 2.449 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)n1 ZINC000365461702 555582095 /nfs/dbraw/zinc/58/20/95/555582095.db2.gz MRQZQYWUOILHQP-OCCSQVGLSA-N -1 1 363.462 2.449 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(Oc2ncccc2F)CC1 ZINC000365489140 555589089 /nfs/dbraw/zinc/58/90/89/555589089.db2.gz ZEDXMAJRNPGHMT-UHFFFAOYSA-N -1 1 368.368 2.141 20 0 FEADMM CC[C@]([N-]S(=O)(=O)c1cn(C(C)C)cn1)(C(=O)OC)c1ccccc1 ZINC000513790919 561949882 /nfs/dbraw/zinc/94/98/82/561949882.db2.gz GJVYTDTUMYYARU-QGZVFWFLSA-N -1 1 365.455 2.221 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)CCc2ccc(OC)cc2)c1 ZINC000513794145 561950187 /nfs/dbraw/zinc/95/01/87/561950187.db2.gz KVKSXVDMSSMNQK-GFCCVEGCSA-N -1 1 367.423 2.374 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2cc(F)ccc2OC)c1 ZINC000513797735 561950250 /nfs/dbraw/zinc/95/02/50/561950250.db2.gz PAXGHSYDPCKFCR-SECBINFHSA-N -1 1 357.359 2.253 20 0 FEADMM CCO[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)OC)co1)C1CCCC1 ZINC000513851469 561952595 /nfs/dbraw/zinc/95/25/95/561952595.db2.gz QHBQKVVPDNYWKC-CQSZACIVSA-N -1 1 359.444 2.330 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@]4(CCO[C@@H]4C)C3)nc2)[n-]c(=O)c1C ZINC000366492879 555859692 /nfs/dbraw/zinc/85/96/92/555859692.db2.gz NRPYCCVKJRLMMT-AUUYWEPGSA-N -1 1 356.426 2.245 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccsc1Br)c2=O ZINC000514010340 561958013 /nfs/dbraw/zinc/95/80/13/561958013.db2.gz XPOHIPDLDLNMMT-UHFFFAOYSA-N -1 1 367.228 2.428 20 0 FEADMM CO[C@@H](CN1CCN(c2nc(=N)[n-]s2)CC1)c1ccc(Cl)cc1 ZINC000514075778 561959522 /nfs/dbraw/zinc/95/95/22/561959522.db2.gz LRHLEBGZEADRLY-ZDUSSCGKSA-N -1 1 353.879 2.283 20 0 FEADMM O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366646159 555898054 /nfs/dbraw/zinc/89/80/54/555898054.db2.gz VFKCXOOOEDXFBK-LBPRGKRZSA-N -1 1 372.429 2.411 20 0 FEADMM O=C(c1cccc(-c2c(F)cccc2F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000366754557 555925575 /nfs/dbraw/zinc/92/55/75/555925575.db2.gz GGPBEADRSFWWGJ-HNNXBMFYSA-N -1 1 371.347 2.359 20 0 FEADMM NC(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000367334619 556021247 /nfs/dbraw/zinc/02/12/47/556021247.db2.gz PAOPMNOPNCUDBC-UHFFFAOYSA-N -1 1 368.393 2.013 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000367388412 556035444 /nfs/dbraw/zinc/03/54/44/556035444.db2.gz OYRFSURVRYEZDG-AWEZNQCLSA-N -1 1 358.398 2.371 20 0 FEADMM O=C(NC[C@@H]1[C@H]2COC[C@H]21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000367498686 556067165 /nfs/dbraw/zinc/06/71/65/556067165.db2.gz WHEROWZNINHWQB-NNZMDNLPSA-N -1 1 372.446 2.110 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000367700087 556117790 /nfs/dbraw/zinc/11/77/90/556117790.db2.gz AYKNRLDIIHLLQY-WCQYABFASA-N -1 1 371.846 2.275 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000367700087 556117792 /nfs/dbraw/zinc/11/77/92/556117792.db2.gz AYKNRLDIIHLLQY-WCQYABFASA-N -1 1 371.846 2.275 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000367700083 556117834 /nfs/dbraw/zinc/11/78/34/556117834.db2.gz AYKNRLDIIHLLQY-AAEUAGOBSA-N -1 1 371.846 2.275 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000367700083 556117837 /nfs/dbraw/zinc/11/78/37/556117837.db2.gz AYKNRLDIIHLLQY-AAEUAGOBSA-N -1 1 371.846 2.275 20 0 FEADMM COc1ccc(-c2nc(CN=c3[n-]nc(-c4ccccn4)s3)n[nH]2)cc1 ZINC000367942613 556178760 /nfs/dbraw/zinc/17/87/60/556178760.db2.gz DDGRRUXZOHMUAZ-UHFFFAOYSA-N -1 1 365.422 3.006 20 0 FEADMM COc1ccc(-c2n[nH]c(CN=c3[n-]nc(-c4ccccn4)s3)n2)cc1 ZINC000367942613 556178761 /nfs/dbraw/zinc/17/87/61/556178761.db2.gz DDGRRUXZOHMUAZ-UHFFFAOYSA-N -1 1 365.422 3.006 20 0 FEADMM O=C(N=c1[n-]nc(Cc2cccc(F)c2)s1)N[C@H]1CCc2nc[nH]c2C1 ZINC000368122607 556224612 /nfs/dbraw/zinc/22/46/12/556224612.db2.gz BNUBOKQCGUVECO-LBPRGKRZSA-N -1 1 372.429 2.670 20 0 FEADMM C[C@@H](O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368448388 556312032 /nfs/dbraw/zinc/31/20/32/556312032.db2.gz AAOGJAZUVJURQS-KDOFPFPSSA-N -1 1 370.449 2.427 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000368494233 556326125 /nfs/dbraw/zinc/32/61/25/556326125.db2.gz YBEQVKWWMPDXNB-PMACEKPBSA-N -1 1 372.469 2.306 20 0 FEADMM CCOc1cc(C(=O)N2CCOC[C@H]2c2noc(C)n2)cc(Cl)c1[O-] ZINC000368759800 556406830 /nfs/dbraw/zinc/40/68/30/556406830.db2.gz BSVLWRVCZYLMGF-LBPRGKRZSA-N -1 1 367.789 2.349 20 0 FEADMM CC[C@H](C)[C@H](OC)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369091300 556502709 /nfs/dbraw/zinc/50/27/09/556502709.db2.gz IECIOQZWXZWMMD-HJIKLVIJSA-N -1 1 355.801 2.259 20 0 FEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cncc(C(=O)OC)c2)on1 ZINC000515966704 562026561 /nfs/dbraw/zinc/02/65/61/562026561.db2.gz LGIIFGBEYJEWKV-UHFFFAOYSA-N -1 1 367.427 2.238 20 0 FEADMM Cc1nc(-c2ccc(N3CCC4(CCN(C)C4=O)CC3)nc2)[n-]c(=O)c1C ZINC000369366093 556581383 /nfs/dbraw/zinc/58/13/83/556581383.db2.gz JYYFUXWCRIPUOP-UHFFFAOYSA-N -1 1 367.453 2.310 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)c1Cl ZINC000369381168 556585899 /nfs/dbraw/zinc/58/58/99/556585899.db2.gz ZYLQIWLDMYKGNH-STQMWFEESA-N -1 1 355.847 2.130 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@H](c2ccco2)N2CCCC2)s[n-]1 ZINC000516215978 562036385 /nfs/dbraw/zinc/03/63/85/562036385.db2.gz LIRVAAIUHJPOIU-NWDGAFQWSA-N -1 1 365.459 2.219 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCCc3ccc(Br)cc3)ccnc1-2 ZINC000806489827 674378804 /nfs/dbraw/zinc/37/88/04/674378804.db2.gz FWVXFDIQNTUIGF-UHFFFAOYSA-N -1 1 374.242 2.469 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)o1 ZINC000369708313 556674641 /nfs/dbraw/zinc/67/46/41/556674641.db2.gz BDZGLEZETNACFQ-LLVKDONJSA-N -1 1 370.452 2.019 20 0 FEADMM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cc2ccccc2cc1[O-] ZINC000370018952 556759461 /nfs/dbraw/zinc/75/94/61/556759461.db2.gz OVEDEYHSBRFGHT-KRWDZBQOSA-N -1 1 354.406 2.055 20 0 FEADMM Cc1nc([C@](C)([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)C2CC2)no1 ZINC000516616641 562050697 /nfs/dbraw/zinc/05/06/97/562050697.db2.gz AMZYCAIQGUZEJV-MRXNPFEDSA-N -1 1 368.459 2.408 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@]12CC(C)(C)Oc1ccccc12)c1nn[n-]n1 ZINC000370231701 556817981 /nfs/dbraw/zinc/81/79/81/556817981.db2.gz SWJUMQUEOVFNJP-TVZGQMOCSA-N -1 1 355.442 2.281 20 0 FEADMM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C2 ZINC000370233793 556818326 /nfs/dbraw/zinc/81/83/26/556818326.db2.gz SLORIFWZFUVAOR-LLVKDONJSA-N -1 1 355.822 2.413 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC000370507501 556894012 /nfs/dbraw/zinc/89/40/12/556894012.db2.gz IIOJUDDJTRPMCT-CQSZACIVSA-N -1 1 372.812 2.498 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@H]2CNC(=O)c3ccccc32)c1Br ZINC000625963763 556962744 /nfs/dbraw/zinc/96/27/44/556962744.db2.gz JGIZYLDMNHKCKX-JTQLQIEISA-N -1 1 363.215 2.200 20 0 FEADMM O=C(CCc1ccc(Cl)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370857414 556992299 /nfs/dbraw/zinc/99/22/99/556992299.db2.gz NUHAZAAVBGJHJJ-LBPRGKRZSA-N -1 1 356.213 2.039 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370857674 556993221 /nfs/dbraw/zinc/99/32/21/556993221.db2.gz PJOBIJODCQVZMF-BREBYQMCSA-N -1 1 368.224 2.210 20 0 FEADMM O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370860901 556993516 /nfs/dbraw/zinc/99/35/16/556993516.db2.gz WVFQDBZYCNDFOP-CQSZACIVSA-N -1 1 367.434 2.241 20 0 FEADMM Cn1cc(-c2nnc3n2CCN(C(=O)c2cc4ccccc4cc2[O-])C3)cn1 ZINC000370954702 557026621 /nfs/dbraw/zinc/02/66/21/557026621.db2.gz HGBVNYLMQSWFEW-UHFFFAOYSA-N -1 1 374.404 2.193 20 0 FEADMM O=C(c1ccc(Br)cc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000371024686 557049707 /nfs/dbraw/zinc/04/97/07/557049707.db2.gz HTMNCYVWOFVKKI-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM Cc1nc2n(n1)CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C2 ZINC000371078763 557068180 /nfs/dbraw/zinc/06/81/80/557068180.db2.gz GFHFLEXHMPIJCP-UHFFFAOYSA-N -1 1 373.413 2.295 20 0 FEADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C)[nH+]cc3C)cc2C[C@@H]1C ZINC000371235776 557115418 /nfs/dbraw/zinc/11/54/18/557115418.db2.gz MFOPCIYNGWXBQF-ZDUSSCGKSA-N -1 1 359.451 2.219 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@H](c4nnc[nH]4)C3)nc2)[n-]c(=O)c1C ZINC000371270098 557126384 /nfs/dbraw/zinc/12/63/84/557126384.db2.gz CZAWMRHOFJEAJM-AWEZNQCLSA-N -1 1 351.414 2.363 20 0 FEADMM CN(C)[C@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccsc1 ZINC000517705626 562095726 /nfs/dbraw/zinc/09/57/26/562095726.db2.gz VXUHAZNSHQCYJL-CQSZACIVSA-N -1 1 358.423 2.124 20 0 FEADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000517734083 562096696 /nfs/dbraw/zinc/09/66/96/562096696.db2.gz VBXQTYQHHPKCAK-DOMZBBRYSA-N -1 1 357.410 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FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC(C3CC3)C3CC3)CC2)n1 ZINC000373103506 557629190 /nfs/dbraw/zinc/62/91/90/557629190.db2.gz HBZLFXPAERJGJS-UHFFFAOYSA-N -1 1 361.446 2.059 20 0 FEADMM Cc1cnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)[n-]c1=O ZINC000519832660 562146006 /nfs/dbraw/zinc/14/60/06/562146006.db2.gz JSDQWDVCRIOWQO-UHFFFAOYSA-N -1 1 362.430 2.071 20 0 FEADMM O=C1N=NCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000373412025 557689094 /nfs/dbraw/zinc/68/90/94/557689094.db2.gz ISAQUTVQUPODAL-UHFFFAOYSA-N -1 1 350.787 2.427 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cn1 ZINC000520399501 562155608 /nfs/dbraw/zinc/15/56/08/562155608.db2.gz KNAHCEZZINWHCT-ZDUSSCGKSA-N -1 1 353.382 2.289 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(OCC2CC2)c1 ZINC000373758019 557752702 /nfs/dbraw/zinc/75/27/02/557752702.db2.gz OVVKRKJILJNAJL-ZDUSSCGKSA-N -1 1 357.414 2.017 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(=O)[n-]1 ZINC000374173186 557836841 /nfs/dbraw/zinc/83/68/41/557836841.db2.gz JYLRALCNQMYVKW-CFVMTHIKSA-N -1 1 365.499 2.465 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(=O)[n-]1 ZINC000374173188 557836845 /nfs/dbraw/zinc/83/68/45/557836845.db2.gz JYLRALCNQMYVKW-NWANDNLSSA-N -1 1 365.499 2.465 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)o1 ZINC000374458543 557886647 /nfs/dbraw/zinc/88/66/47/557886647.db2.gz LHABIWIGOWNYRD-ZDUSSCGKSA-N -1 1 357.428 2.084 20 0 FEADMM CN(C)c1noc([C@@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000374538143 557896786 /nfs/dbraw/zinc/89/67/86/557896786.db2.gz QCCOFODTLNLUDF-AWEZNQCLSA-N -1 1 356.382 2.285 20 0 FEADMM CN(C)c1noc([C@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000374538144 557896917 /nfs/dbraw/zinc/89/69/17/557896917.db2.gz QCCOFODTLNLUDF-CQSZACIVSA-N -1 1 356.382 2.285 20 0 FEADMM CN(C)c1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000375101453 557977882 /nfs/dbraw/zinc/97/78/82/557977882.db2.gz OZYMDIGQMHFDNP-UHFFFAOYSA-N -1 1 368.368 2.192 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000521443983 562176639 /nfs/dbraw/zinc/17/66/39/562176639.db2.gz KHXHVZGAHQJNID-QWRGUYRKSA-N -1 1 360.501 2.153 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000521443982 562176673 /nfs/dbraw/zinc/17/66/73/562176673.db2.gz KHXHVZGAHQJNID-MNOVXSKESA-N -1 1 360.501 2.153 20 0 FEADMM O=C1CC[C@@H](N=c2nc(C(Cl)(Cl)Cl)[n-]s2)C2(CCC2)N1 ZINC000376399439 558168188 /nfs/dbraw/zinc/16/81/88/558168188.db2.gz ZYZQMRTYGYZIMW-ZCFIWIBFSA-N -1 1 355.678 2.400 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1C(=O)[O-] ZINC000376519262 558184473 /nfs/dbraw/zinc/18/44/73/558184473.db2.gz JGTFAGYZMJUSPO-UHFFFAOYSA-N -1 1 360.395 2.397 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC(Cc4ccc(F)cc4F)C3)ccnc1-2 ZINC000376594026 558195306 /nfs/dbraw/zinc/19/53/06/558195306.db2.gz XNBGPOYZEGQZPB-KQWNVCNZSA-N -1 1 357.364 2.326 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3Cc4ccccc4[C@H](n4cccn4)C3)ccnc1-2 ZINC000376620581 558199012 /nfs/dbraw/zinc/19/90/12/558199012.db2.gz GLSLQYKCVSNVNB-YLPLVBRQSA-N -1 1 373.420 2.175 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000377149984 558276534 /nfs/dbraw/zinc/27/65/34/558276534.db2.gz CZHBFURNMYZUNS-VIFPVBQESA-N -1 1 363.773 2.072 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3nc[nH]c(=O)c3c2)c(=O)[n-]1 ZINC000522175342 562193299 /nfs/dbraw/zinc/19/32/99/562193299.db2.gz OQRGSBLRXNGMQD-UHFFFAOYSA-N -1 1 371.422 2.433 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c(Cl)cc21 ZINC000528398803 562326942 /nfs/dbraw/zinc/32/69/42/562326942.db2.gz GXNRBDUQUOQNNF-ZETCQYMHSA-N -1 1 370.780 2.478 20 0 FEADMM O=C(Nc1nncs1)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000377442984 558341632 /nfs/dbraw/zinc/34/16/32/558341632.db2.gz JXFRSLOHSMZAHT-UHFFFAOYSA-N -1 1 366.830 2.388 20 0 FEADMM O=C(Nc1nncs1)C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000377551175 558362346 /nfs/dbraw/zinc/36/23/46/558362346.db2.gz VNKLUAIBKNBIJL-UHFFFAOYSA-N -1 1 368.365 2.013 20 0 FEADMM CCCc1n[n-]c(=NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000377686331 558396770 /nfs/dbraw/zinc/39/67/70/558396770.db2.gz AAOMJRUPZUNJPL-HIFRSBDPSA-N -1 1 374.514 2.918 20 0 FEADMM Cc1noc2nc(C3CC3)cc(C(=O)NC3(c4nn[n-]n4)CCCC3)c12 ZINC000522929444 562206254 /nfs/dbraw/zinc/20/62/54/562206254.db2.gz VVQAWECQZVPAII-UHFFFAOYSA-N -1 1 353.386 2.121 20 0 FEADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)ccc1[O-] ZINC000378415167 558551112 /nfs/dbraw/zinc/55/11/12/558551112.db2.gz FPFVKPCEBHMUTE-XHDPSFHLSA-N -1 1 356.216 2.223 20 0 FEADMM CC[C@@]1(NC(=O)c2cc(I)ccc2[O-])CCOC1 ZINC000394080391 558621990 /nfs/dbraw/zinc/62/19/90/558621990.db2.gz HVNHEHINGHWKEY-CYBMUJFWSA-N -1 1 361.179 2.296 20 0 FEADMM C[C@H](N(C)C(=O)c1ccc(I)c([O-])c1)C(C)(C)O ZINC000382864793 558604966 /nfs/dbraw/zinc/60/49/66/558604966.db2.gz NQMUCCWBMBQISP-QMMMGPOBSA-N -1 1 363.195 2.228 20 0 FEADMM FC(F)(F)c1nsc(=NC[C@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC000382492048 558604168 /nfs/dbraw/zinc/60/41/68/558604168.db2.gz KRSUOGOENDOLKN-LBPRGKRZSA-N -1 1 358.389 2.292 20 0 FEADMM COCCCCN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000397124666 558623742 /nfs/dbraw/zinc/62/37/42/558623742.db2.gz LDWLPXSTGROTMW-UHFFFAOYSA-N -1 1 363.195 2.495 20 0 FEADMM C[C@@H]1CSC[C@@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000397944054 558625544 /nfs/dbraw/zinc/62/55/44/558625544.db2.gz RQODWRWUUAQGDU-XCBNKYQSSA-N -1 1 363.220 2.478 20 0 FEADMM C[C@H]1COCCCN1C(=O)c1cc(I)ccc1[O-] ZINC000398907597 558627604 /nfs/dbraw/zinc/62/76/04/558627604.db2.gz ULEPMCJVZBWSHJ-VIFPVBQESA-N -1 1 361.179 2.248 20 0 FEADMM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1(C)C ZINC000408214215 558656875 /nfs/dbraw/zinc/65/68/75/558656875.db2.gz ICVOHKXJFDPKHE-PPKCKEKNSA-N -1 1 352.250 2.380 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Br)o1 ZINC000408213531 558656946 /nfs/dbraw/zinc/65/69/46/558656946.db2.gz HSKDZOVJDGJVAY-IVZWLZJFSA-N -1 1 350.234 2.278 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCCOCC1 ZINC000408410160 558674492 /nfs/dbraw/zinc/67/44/92/558674492.db2.gz KPLOUHABAOEQDS-GOSISDBHSA-N -1 1 368.433 2.399 20 0 FEADMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2NC1=O ZINC000524319597 562227071 /nfs/dbraw/zinc/22/70/71/562227071.db2.gz NUOKYOIKEGJEQD-JTQLQIEISA-N -1 1 360.391 2.237 20 0 FEADMM Cc1[nH]nc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1C ZINC000524502326 562229703 /nfs/dbraw/zinc/22/97/03/562229703.db2.gz ZXJXSYFNPVXZOA-UHFFFAOYSA-N -1 1 352.398 2.464 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CO)ccc2C)ccc1OC ZINC000524614426 562231089 /nfs/dbraw/zinc/23/10/89/562231089.db2.gz SCMAPNUQCKOKET-UHFFFAOYSA-N -1 1 365.407 2.083 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C2(C(F)F)CC2)c1 ZINC000409829604 558721881 /nfs/dbraw/zinc/72/18/81/558721881.db2.gz BKHIXABNEJBLKW-UHFFFAOYSA-N -1 1 367.345 2.087 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1-n1cnnn1 ZINC000525020002 562239551 /nfs/dbraw/zinc/23/95/51/562239551.db2.gz KMWRAJGUDKFRFC-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM CC(C)(C)[C@H]1CCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000525209812 562242987 /nfs/dbraw/zinc/24/29/87/562242987.db2.gz WCGRRSAYLWZNOW-MRXNPFEDSA-N -1 1 355.438 2.295 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1 ZINC000412356990 559030457 /nfs/dbraw/zinc/03/04/57/559030457.db2.gz DCQBCSMGNSTFBH-KDOFPFPSSA-N -1 1 360.435 2.433 20 0 FEADMM CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)O ZINC000412375408 559031882 /nfs/dbraw/zinc/03/18/82/559031882.db2.gz GMBJTLJUXGPZFU-JEBQAFNWSA-N -1 1 370.449 2.426 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2ccc(-n3nc(C)cc3C)cc2)[n-]n1 ZINC000413053495 559073182 /nfs/dbraw/zinc/07/31/82/559073182.db2.gz JPGWNPQZXXZQKP-UHFFFAOYSA-N -1 1 364.453 2.683 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000414225019 559153816 /nfs/dbraw/zinc/15/38/16/559153816.db2.gz RPTUICDFEQPLAA-UHFFFAOYSA-N -1 1 374.825 2.307 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)Nc2ccc(F)c(Cl)c2)n[n-]1 ZINC000414225019 559153817 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CCOC(=O)c1cnc(NC(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)[n-]1 ZINC000415633688 559256941 /nfs/dbraw/zinc/25/69/41/559256941.db2.gz ABCUCCKPJUXGBP-LLVKDONJSA-N -1 1 361.398 2.421 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)n1 ZINC000415633688 559256943 /nfs/dbraw/zinc/25/69/43/559256943.db2.gz ABCUCCKPJUXGBP-LLVKDONJSA-N -1 1 361.398 2.421 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000416211659 559298650 /nfs/dbraw/zinc/29/86/50/559298650.db2.gz WJNVDSPLKLIRQP-STQMWFEESA-N -1 1 373.409 2.010 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000416227946 559299818 /nfs/dbraw/zinc/29/98/18/559299818.db2.gz NAHKCSVXTODSDV-UHFFFAOYSA-N -1 1 371.315 2.491 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1c(C(F)F)c(C)nn1C)c1ccc(C)o1 ZINC000416421110 559311734 /nfs/dbraw/zinc/31/17/34/559311734.db2.gz YZNANOYDTAFLIN-JTQLQIEISA-N -1 1 363.386 2.234 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1cc(Br)sc1Cl ZINC000416527774 559319989 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COc1c(Cl)cc(Cl)cc1CNCCN1C[C@H](C(=O)[O-])CC1=O ZINC000417634636 559369524 /nfs/dbraw/zinc/36/95/24/559369524.db2.gz VMRCFDSBBAYBDG-SNVBAGLBSA-N -1 1 361.225 2.025 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1F ZINC000420694714 559498655 /nfs/dbraw/zinc/49/86/55/559498655.db2.gz CGXGFJCPOGNOLG-ZDUSSCGKSA-N -1 1 371.352 2.406 20 0 FEADMM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000420702885 559499207 /nfs/dbraw/zinc/49/92/07/559499207.db2.gz IMUYTMRSVRFOQX-XYPYZODXSA-N -1 1 354.403 2.142 20 0 FEADMM O=S(=O)([N-]CCCC1(O)CCC1)c1sccc1Br ZINC000420715588 559500080 /nfs/dbraw/zinc/50/00/80/559500080.db2.gz HWEDIOUBUCRVKE-UHFFFAOYSA-N -1 1 354.291 2.484 20 0 FEADMM CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000420738792 559501586 /nfs/dbraw/zinc/50/15/86/559501586.db2.gz NYWVCIOWGOZXGB-LLVKDONJSA-N -1 1 352.378 2.126 20 0 FEADMM CON1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000420751438 559502313 /nfs/dbraw/zinc/50/23/13/559502313.db2.gz QCIAIUNITJSWRC-UHFFFAOYSA-N -1 1 357.234 2.437 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421146509 559526612 /nfs/dbraw/zinc/52/66/12/559526612.db2.gz ZOZVOWSOVFDVKD-KRWDZBQOSA-N -1 1 363.435 2.473 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc(OCCO)cc1C(F)(F)F)OC ZINC000421153096 559527129 /nfs/dbraw/zinc/52/71/29/559527129.db2.gz LAIPUKFXNIVDDV-JTQLQIEISA-N -1 1 371.377 2.243 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SCC(N)=O ZINC000421243910 559533289 /nfs/dbraw/zinc/53/32/89/559533289.db2.gz FCEGUCTYLNSLKB-LBPRGKRZSA-N -1 1 360.501 2.067 20 0 FEADMM CCOc1cc(C(=O)[N-]c2nc3c(s2)CC[C@@H](C(=O)OC)C3)on1 ZINC000421623783 559547050 /nfs/dbraw/zinc/54/70/50/559547050.db2.gz FSEOHBGXOGXTPE-MRVPVSSYSA-N -1 1 351.384 2.060 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2c(c1)C(=O)CCCC2 ZINC000422034693 559561897 /nfs/dbraw/zinc/56/18/97/559561897.db2.gz FLBOWXSLTASLHG-UHFFFAOYSA-N -1 1 353.378 2.065 20 0 FEADMM CC[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] 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1 362.474 2.092 20 0 FEADMM CCC(CC)(CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C(=O)[O-] ZINC000424431085 559664422 /nfs/dbraw/zinc/66/44/22/559664422.db2.gz OLHJQRBCDIQAPB-CYBMUJFWSA-N -1 1 363.462 2.462 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424881785 559679223 /nfs/dbraw/zinc/67/92/23/559679223.db2.gz TZWYPIAHVIGFRU-UHFFFAOYSA-N -1 1 359.398 2.337 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C)cc2F)[C@@]12CCCO2 ZINC000425175492 559689513 /nfs/dbraw/zinc/68/95/13/559689513.db2.gz JVXXHBISGIAOHB-LZWOXQAQSA-N -1 1 361.410 2.278 20 0 FEADMM CN1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000425181051 559689775 /nfs/dbraw/zinc/68/97/75/559689775.db2.gz GIQJKOFXDXOFJF-SSDOTTSWSA-N -1 1 357.284 2.202 20 0 FEADMM COC[C@@]1(C(=O)OC)CCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000425266229 559694154 /nfs/dbraw/zinc/69/41/54/559694154.db2.gz HIZOKIPSGFWIEX-MGPUTAFESA-N -1 1 370.453 2.666 20 0 FEADMM Cc1cc(=O)[nH]c2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)ccc12 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O=S(=O)([N-][C@@H](CO)[C@@H]1CCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000447929862 560173580 /nfs/dbraw/zinc/17/35/80/560173580.db2.gz JUVSTAQAVLQUBB-QWRGUYRKSA-N -1 1 374.673 2.465 20 0 FEADMM CC(C)[C@H]1CN(C)CCN1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448003944 560175696 /nfs/dbraw/zinc/17/56/96/560175696.db2.gz KXZAWZFAWBEJCR-GFCCVEGCSA-N -1 1 351.501 2.492 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448180241 560179841 /nfs/dbraw/zinc/17/98/41/560179841.db2.gz MCOSKGCMLCEXJH-HNNXBMFYSA-N -1 1 372.462 2.231 20 0 FEADMM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc(Br)c(F)cc1[O-] ZINC000450176970 560252995 /nfs/dbraw/zinc/25/29/95/560252995.db2.gz UXOKOHBAXVUMON-SSDOTTSWSA-N -1 1 354.179 2.304 20 0 FEADMM CC[C@@H]1C[C@@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC(=O)N1 ZINC000450692700 560270371 /nfs/dbraw/zinc/27/03/71/560270371.db2.gz COVUNSAABKAEHV-NXEZZACHSA-N -1 1 363.805 2.074 20 0 FEADMM CC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC(=O)N1 ZINC000450692700 560270372 /nfs/dbraw/zinc/27/03/72/560270372.db2.gz COVUNSAABKAEHV-NXEZZACHSA-N -1 1 363.805 2.074 20 0 FEADMM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n1C ZINC000451001292 560281872 /nfs/dbraw/zinc/28/18/72/560281872.db2.gz JMCWECGAOQBJEF-UHFFFAOYSA-N -1 1 373.381 2.476 20 0 FEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)OC ZINC000451030420 560283520 /nfs/dbraw/zinc/28/35/20/560283520.db2.gz UCLNTULCUSUWOF-TVQRCGJNSA-N -1 1 351.827 2.486 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC2CC2)c(F)c1 ZINC000451089632 560286433 /nfs/dbraw/zinc/28/64/33/560286433.db2.gz RVPDPGYCWYIOPL-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)C2)c(F)c1 ZINC000451157425 560290523 /nfs/dbraw/zinc/29/05/23/560290523.db2.gz XDDLFFSCESLLNJ-NSHDSACASA-N -1 1 364.464 2.008 20 0 FEADMM O=C(CC[C@@H]1CCC(=O)N1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000451181428 560291728 /nfs/dbraw/zinc/29/17/28/560291728.db2.gz FBAVRKOZHHWLFS-AWEZNQCLSA-N -1 1 373.453 2.452 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@@H]1CCCO1)c1sc2ccccc2c1Cl ZINC000451479917 560309580 /nfs/dbraw/zinc/30/95/80/560309580.db2.gz OJIBUWZMAQXYJE-QWRGUYRKSA-N -1 1 361.872 2.373 20 0 FEADMM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000452082800 560350113 /nfs/dbraw/zinc/35/01/13/560350113.db2.gz GAWLVLIVOFCFED-UHFFFAOYSA-N -1 1 354.369 2.396 20 0 FEADMM CCC[C@@H](O)CS(=O)(=O)c1nnc(-c2ccccc2Br)[n-]1 ZINC000453034186 560381894 /nfs/dbraw/zinc/38/18/94/560381894.db2.gz WHGXWHGOMQFHEP-SECBINFHSA-N -1 1 374.260 2.169 20 0 FEADMM CCC[C@@H](O)CS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000453034186 560381895 /nfs/dbraw/zinc/38/18/95/560381895.db2.gz WHGXWHGOMQFHEP-SECBINFHSA-N -1 1 374.260 2.169 20 0 FEADMM COc1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000454889772 560462371 /nfs/dbraw/zinc/46/23/71/560462371.db2.gz HZWCNZIOQPKESU-GFCCVEGCSA-N -1 1 371.459 2.005 20 0 FEADMM COc1ccc(=NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)[n-]n1 ZINC000455243613 560475329 /nfs/dbraw/zinc/47/53/29/560475329.db2.gz FSEMNKYBNCWHDQ-CQSZACIVSA-N -1 1 361.471 2.632 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC2CC2)c2ccc(OC)cc2)o1 ZINC000456170832 560509481 /nfs/dbraw/zinc/50/94/81/560509481.db2.gz CHKNOLWADIGION-UHFFFAOYSA-N -1 1 364.423 2.253 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H](C)O ZINC000456185584 560510080 /nfs/dbraw/zinc/51/00/80/560510080.db2.gz HOGOEKDGCCRHOW-DYVFJYSZSA-N -1 1 362.451 2.377 20 0 FEADMM C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000456671932 560528198 /nfs/dbraw/zinc/52/81/98/560528198.db2.gz ZKBYFUYLEOTYMS-JTQLQIEISA-N -1 1 362.421 2.674 20 0 FEADMM CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000456935722 560539083 /nfs/dbraw/zinc/53/90/83/560539083.db2.gz BVCZAFKZHRXSHV-CHWSQXEVSA-N -1 1 372.487 2.434 20 0 FEADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCN1C(=O)c1cscn1 ZINC000457118590 560550434 /nfs/dbraw/zinc/55/04/34/560550434.db2.gz ABAQMLXBDKBFHS-VIFPVBQESA-N -1 1 367.377 2.114 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000457961119 560596775 /nfs/dbraw/zinc/59/67/75/560596775.db2.gz ZCDWXTFPSSDHDM-UHFFFAOYSA-N -1 1 358.295 2.278 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000460434814 560743701 /nfs/dbraw/zinc/74/37/01/560743701.db2.gz FFSPSHATOLZLLK-UHFFFAOYSA-N -1 1 356.407 2.413 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000460821192 560752644 /nfs/dbraw/zinc/75/26/44/560752644.db2.gz UDRUMUCUVKZSNU-QHCPKHFHSA-N -1 1 366.464 2.208 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)Cc3ccc(F)c(Cl)c3)ccnc1-2 ZINC000461118711 560762042 /nfs/dbraw/zinc/76/20/42/560762042.db2.gz NSDZHGOCIIJLET-UHFFFAOYSA-N -1 1 354.794 2.076 20 0 FEADMM CCOc1c(F)cccc1C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000461444981 560771848 /nfs/dbraw/zinc/77/18/48/560771848.db2.gz GCIWBFGNFHIONS-UHFFFAOYSA-N -1 1 368.386 2.090 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(F)c2Cl)c1 ZINC000461465858 560773062 /nfs/dbraw/zinc/77/30/62/560773062.db2.gz GJUOBNROUGCADL-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)n[n-]1 ZINC000461729242 560780631 /nfs/dbraw/zinc/78/06/31/560780631.db2.gz IZVGXDFWIUEMBI-SECBINFHSA-N -1 1 356.835 2.130 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)o1 ZINC000463866101 560827326 /nfs/dbraw/zinc/82/73/26/560827326.db2.gz PFWPKZNDOKNSKC-CHWSQXEVSA-N -1 1 359.444 2.327 20 0 FEADMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000466722792 560893611 /nfs/dbraw/zinc/89/36/11/560893611.db2.gz NCPIPBJWKKEXOR-FQEVSTJZSA-N -1 1 353.422 2.141 20 0 FEADMM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1C ZINC000467300058 560908148 /nfs/dbraw/zinc/90/81/48/560908148.db2.gz ABJFHKBIHSQLPE-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)C[C@H](C)O ZINC000467494356 560911223 /nfs/dbraw/zinc/91/12/23/560911223.db2.gz PUNZWFPCROPGMB-LBPRGKRZSA-N -1 1 358.442 2.008 20 0 FEADMM CCC[C@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1nn[n-]n1 ZINC000467645397 560914389 /nfs/dbraw/zinc/91/43/89/560914389.db2.gz HMQIDJUDVXMLJX-JTQLQIEISA-N -1 1 367.335 2.226 20 0 FEADMM C[C@H]1[C@@H](CO)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468044878 560921542 /nfs/dbraw/zinc/92/15/42/560921542.db2.gz NFMXMRSWZCESMZ-GOEBONIOSA-N -1 1 374.462 2.330 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)o1 ZINC000468367268 560928106 /nfs/dbraw/zinc/92/81/06/560928106.db2.gz HSJFKNHGTFJWNB-SECBINFHSA-N -1 1 370.377 2.225 20 0 FEADMM Cc1cc(C(=O)N=c2nc(C(F)(F)F)[n-][nH]2)nn1-c1c(F)cccc1F ZINC000468637877 560934663 /nfs/dbraw/zinc/93/46/63/560934663.db2.gz KYUGYLKCQQJQLG-UHFFFAOYSA-N -1 1 372.257 2.848 20 0 FEADMM N=c1nc(N2CCN(CCOc3ccc4ccccc4c3)CC2)s[n-]1 ZINC000468764809 560938159 /nfs/dbraw/zinc/93/81/59/560938159.db2.gz AQPQKRXNPNTCNN-UHFFFAOYSA-N -1 1 355.467 2.475 20 0 FEADMM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)ccc2O1 ZINC000469023265 560944999 /nfs/dbraw/zinc/94/49/99/560944999.db2.gz RIFPQGDLINCCDQ-UHFFFAOYSA-N -1 1 372.446 2.487 20 0 FEADMM Cc1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469541553 560957642 /nfs/dbraw/zinc/95/76/42/560957642.db2.gz DNQATGZLLPDSST-UHFFFAOYSA-N -1 1 354.370 2.377 20 0 FEADMM Cc1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469541553 560957643 /nfs/dbraw/zinc/95/76/43/560957643.db2.gz DNQATGZLLPDSST-UHFFFAOYSA-N -1 1 354.370 2.377 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)c2cc(Br)ccc2n1 ZINC000470969641 560995475 /nfs/dbraw/zinc/99/54/75/560995475.db2.gz SPEKUONYHVDLBJ-UHFFFAOYSA-N -1 1 373.214 2.238 20 0 FEADMM CCOc1ccc(-c2nc(CC(=O)NC3(c4nn[n-]n4)CC3)cs2)cc1 ZINC000470977337 560995774 /nfs/dbraw/zinc/99/57/74/560995774.db2.gz NJSRUPNEZZXHNU-UHFFFAOYSA-N -1 1 370.438 2.070 20 0 FEADMM CS(=O)(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1Cl ZINC000471573122 561007534 /nfs/dbraw/zinc/00/75/34/561007534.db2.gz JPPCHPGKTIEVTM-LLVKDONJSA-N -1 1 367.876 2.054 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)cc1C ZINC000471577904 561007681 /nfs/dbraw/zinc/00/76/81/561007681.db2.gz NFTXSKYTPNVURZ-UHFFFAOYSA-N -1 1 374.418 2.385 20 0 FEADMM COc1cc(NC(=O)CC(C)(C)CC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000472783265 561035278 /nfs/dbraw/zinc/03/52/78/561035278.db2.gz DUDLBVUPMIMMRF-UHFFFAOYSA-N -1 1 356.444 2.401 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000473195186 561043935 /nfs/dbraw/zinc/04/39/35/561043935.db2.gz JLVIVSKSMANECJ-CQSZACIVSA-N -1 1 373.409 2.111 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000473270064 561046074 /nfs/dbraw/zinc/04/60/74/561046074.db2.gz OYWZBXUGJXCLBH-SKDRFNHKSA-N -1 1 359.382 2.418 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000473308715 561047246 /nfs/dbraw/zinc/04/72/46/561047246.db2.gz HFNIMEGHOOWEQG-UHFFFAOYSA-N -1 1 361.373 2.277 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C1CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000473863598 561059653 /nfs/dbraw/zinc/05/96/53/561059653.db2.gz HVZDXZVGOQBCIX-SNVBAGLBSA-N -1 1 372.245 2.198 20 0 FEADMM O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccncc1[O-] ZINC000474367716 561072352 /nfs/dbraw/zinc/07/23/52/561072352.db2.gz FLEPSJXIJKLUBN-UHFFFAOYSA-N -1 1 361.810 2.446 20 0 FEADMM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC(C)(C)c2nn[n-]n2)CC1=O ZINC000475013078 561087733 /nfs/dbraw/zinc/08/77/33/561087733.db2.gz IDWGRCGPZOMVIG-QWHCGFSZSA-N -1 1 370.457 2.118 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cn1 ZINC000475815361 561106030 /nfs/dbraw/zinc/10/60/30/561106030.db2.gz NDMSUAVATZVQTO-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000476017048 561109421 /nfs/dbraw/zinc/10/94/21/561109421.db2.gz BOYKTNSMEHHVNW-ZDUSSCGKSA-N -1 1 363.435 2.394 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000476519846 561121498 /nfs/dbraw/zinc/12/14/98/561121498.db2.gz YRUAWJBEOJLAMB-UHFFFAOYSA-N -1 1 351.380 2.241 20 0 FEADMM CCC[C@@H](CC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476905944 561131620 /nfs/dbraw/zinc/13/16/20/561131620.db2.gz QAIUXENMANDIEZ-SNVBAGLBSA-N -1 1 352.453 2.054 20 0 FEADMM O=C(NC[C@@H]1CCCC1=O)c1ccc(I)c([O-])c1 ZINC000476916833 561131942 /nfs/dbraw/zinc/13/19/42/561131942.db2.gz SSTNTXNXYIWIHS-VIFPVBQESA-N -1 1 359.163 2.096 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000477039687 561135013 /nfs/dbraw/zinc/13/50/13/561135013.db2.gz KRJPKUAYWKXPFR-UHFFFAOYSA-N -1 1 355.295 2.195 20 0 FEADMM Cc1ccc(-c2nn(C)cc2C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)o1 ZINC000529251467 562366411 /nfs/dbraw/zinc/36/64/11/562366411.db2.gz SQIVYOPMVYMUIQ-NSHDSACASA-N -1 1 357.370 2.097 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CC2(c3ccccc3)CC2)c1 ZINC000529409130 562372859 /nfs/dbraw/zinc/37/28/59/562372859.db2.gz QSWUIUXRAVUOAR-UHFFFAOYSA-N -1 1 360.435 2.361 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000530137894 562399368 /nfs/dbraw/zinc/39/93/68/562399368.db2.gz RNNAXBFDHMMVMH-UHFFFAOYSA-N -1 1 374.418 2.037 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1nc2cccnc2n1C)c1ccc(F)cc1 ZINC000530156245 562400484 /nfs/dbraw/zinc/40/04/84/562400484.db2.gz UMWIPTKURMPCJZ-CQSZACIVSA-N -1 1 364.402 2.237 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c1Cl ZINC000530156305 562400539 /nfs/dbraw/zinc/40/05/39/562400539.db2.gz XFCAGKDRHMBFLL-UHFFFAOYSA-N -1 1 354.741 2.018 20 0 FEADMM O=S(=O)([N-]Cc1nc(-c2ccncc2)no1)c1cc2ccccc2o1 ZINC000530411513 562410092 /nfs/dbraw/zinc/41/00/92/562410092.db2.gz MQKZWGDCEVNKAE-UHFFFAOYSA-N -1 1 356.363 2.356 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[nH]1)C[C@@H](C)O2 ZINC000530876325 562427016 /nfs/dbraw/zinc/42/70/16/562427016.db2.gz LAPSIIBKECVIPL-LLVKDONJSA-N -1 1 366.377 2.481 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)c1cc(C)c3c(=O)[nH]c(=O)nc-3[n-]1)C[C@@H](C)O2 ZINC000530876325 562427017 /nfs/dbraw/zinc/42/70/17/562427017.db2.gz LAPSIIBKECVIPL-LLVKDONJSA-N -1 1 366.377 2.481 20 0 FEADMM O=S(=O)([N-]c1cccc(Cn2cncn2)c1)c1ccc2c(c1)COC2 ZINC000530905666 562428053 /nfs/dbraw/zinc/42/80/53/562428053.db2.gz IEISKCAKPKAAME-UHFFFAOYSA-N -1 1 356.407 2.157 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)COC)c1 ZINC000531279029 562440380 /nfs/dbraw/zinc/44/03/80/562440380.db2.gz XKBOITHLKUGUFG-GFCCVEGCSA-N -1 1 358.460 2.034 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)C[C@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000531340184 562442548 /nfs/dbraw/zinc/44/25/48/562442548.db2.gz FWAYUTLMXLJXCI-DGCLKSJQSA-N -1 1 371.459 2.146 20 0 FEADMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(Cl)c1OCC(N)=O ZINC000531756250 562455623 /nfs/dbraw/zinc/45/56/23/562455623.db2.gz AOQICZWLLJNSCV-UHFFFAOYSA-N -1 1 368.748 2.310 20 0 FEADMM COC(C)(C)CN(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000531826538 562458106 /nfs/dbraw/zinc/45/81/06/562458106.db2.gz PROHAHOSDQZEPC-UHFFFAOYSA-N -1 1 358.442 2.369 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000532128041 562468055 /nfs/dbraw/zinc/46/80/55/562468055.db2.gz OSHXCCPFCBJNRP-GOSISDBHSA-N -1 1 370.457 2.231 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(N2CCCS2(=O)=O)cc1 ZINC000532266328 562472107 /nfs/dbraw/zinc/47/21/07/562472107.db2.gz LYWUYHQRVMJHIG-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM Cc1cc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)n(-c2ccc(F)cc2)n1 ZINC000532711886 562486392 /nfs/dbraw/zinc/48/63/92/562486392.db2.gz OLILRECZHAZXLD-CQSZACIVSA-N -1 1 374.416 2.445 20 0 FEADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000533203015 562501360 /nfs/dbraw/zinc/50/13/60/562501360.db2.gz DNSUFXQPLYNGJN-UHFFFAOYSA-N -1 1 364.442 2.039 20 0 FEADMM C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000533253317 562502829 /nfs/dbraw/zinc/50/28/29/562502829.db2.gz BHWGBDLBMLKCMR-SNVBAGLBSA-N -1 1 365.268 2.208 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 ZINC000534943356 562545856 /nfs/dbraw/zinc/54/58/56/562545856.db2.gz VLKVTQXDEAGILD-UHFFFAOYSA-N -1 1 360.391 2.030 20 0 FEADMM CC(C)(NC(=O)c1cc(Br)cc2cccnc21)c1nn[n-]n1 ZINC000535385889 562557500 /nfs/dbraw/zinc/55/75/00/562557500.db2.gz VNLHHKBSSNZFPZ-UHFFFAOYSA-N -1 1 361.203 2.176 20 0 FEADMM CC(C)c1c(C(=O)Nc2nc(SCCO)n[nH]2)cnn1-c1ccccc1 ZINC000536544938 562578537 /nfs/dbraw/zinc/57/85/37/562578537.db2.gz VOIPGCKIFYPLTM-UHFFFAOYSA-N -1 1 372.454 2.451 20 0 FEADMM O=C([O-])[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(OC(F)F)cc1 ZINC000537403886 562590453 /nfs/dbraw/zinc/59/04/53/562590453.db2.gz QOBLINWROPTOOS-CYBMUJFWSA-N -1 1 362.292 2.115 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)o1 ZINC000541415670 562611452 /nfs/dbraw/zinc/61/14/52/562611452.db2.gz NEHBUOHEWPJWOQ-PBHICJAKSA-N -1 1 370.471 2.044 20 0 FEADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CCC2 ZINC000546145046 562634198 /nfs/dbraw/zinc/63/41/98/562634198.db2.gz GBVMMNYDFBZSHV-HNNXBMFYSA-N -1 1 351.410 2.348 20 0 FEADMM CCNC(=O)COc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000550140431 562643226 /nfs/dbraw/zinc/64/32/26/562643226.db2.gz TUGGAKFAVGZWHL-UHFFFAOYSA-N -1 1 350.321 2.438 20 0 FEADMM Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000556226944 674392830 /nfs/dbraw/zinc/39/28/30/674392830.db2.gz APHYCKPGQNJPSJ-LLVKDONJSA-N -1 1 362.459 2.058 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)Cc2cccc(Cl)c2)n[n-]1 ZINC000603019301 568052245 /nfs/dbraw/zinc/05/22/45/568052245.db2.gz UNJYXXFTAKGSEF-JTQLQIEISA-N -1 1 350.806 2.130 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)Cc2cccc(Cl)c2)n1 ZINC000603019301 568052246 /nfs/dbraw/zinc/05/22/46/568052246.db2.gz UNJYXXFTAKGSEF-JTQLQIEISA-N -1 1 350.806 2.130 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)n[n-]1 ZINC000603020699 568052377 /nfs/dbraw/zinc/05/23/77/568052377.db2.gz IETMBUXRMFKRGA-ZIUMLUTBSA-N -1 1 374.363 2.212 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)n1 ZINC000603020699 568052378 /nfs/dbraw/zinc/05/23/78/568052378.db2.gz IETMBUXRMFKRGA-ZIUMLUTBSA-N -1 1 374.363 2.212 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@]2(C)CCc3ccccc3C2)n[n-]1 ZINC000603156170 568068682 /nfs/dbraw/zinc/06/86/82/568068682.db2.gz QWTPVKGNQCHQRV-BLVKFPJESA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@]2(C)CCc3ccccc3C2)[n-]1 ZINC000603156170 568068683 /nfs/dbraw/zinc/06/86/83/568068683.db2.gz QWTPVKGNQCHQRV-BLVKFPJESA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@]2(C)CCc3ccccc3C2)n1 ZINC000603156170 568068684 /nfs/dbraw/zinc/06/86/84/568068684.db2.gz QWTPVKGNQCHQRV-BLVKFPJESA-N -1 1 356.426 2.354 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000563122231 568223233 /nfs/dbraw/zinc/22/32/33/568223233.db2.gz APFDYQIKRHNHGI-HOCLYGCPSA-N -1 1 350.484 2.246 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c1 ZINC000605119055 568573537 /nfs/dbraw/zinc/57/35/37/568573537.db2.gz VOAKPCNECPVXAR-UHFFFAOYSA-N -1 1 354.391 2.043 20 0 FEADMM O=C(Cn1cccn1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737987950 598835140 /nfs/dbraw/zinc/83/51/40/598835140.db2.gz FEZLFTCPCCHSQT-UHFFFAOYSA-N -1 1 365.422 2.108 20 0 FEADMM CN(Cc1ccsc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736830582 598874383 /nfs/dbraw/zinc/87/43/83/598874383.db2.gz XKHIRUQHVHDUJY-UHFFFAOYSA-N -1 1 369.859 2.402 20 0 FEADMM CN(Cc1ccsc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736830582 598874384 /nfs/dbraw/zinc/87/43/84/598874384.db2.gz XKHIRUQHVHDUJY-UHFFFAOYSA-N -1 1 369.859 2.402 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Sc1nnc(NC2CC2)s1 ZINC000738438377 598935272 /nfs/dbraw/zinc/93/52/72/598935272.db2.gz ZQQXUOWKGOMAAR-UHFFFAOYSA-N -1 1 369.439 2.387 20 0 FEADMM c1cn(-c2ccc(CNc3c4ccccc4nnc3-c3nnn[n-]3)cn2)cn1 ZINC000738436429 598935393 /nfs/dbraw/zinc/93/53/93/598935393.db2.gz IDWMTCZSAUCMSD-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1cn(-c2ccc(CNc3c4ccccc4nnc3-c3nn[n-]n3)cn2)cn1 ZINC000738436429 598935395 /nfs/dbraw/zinc/93/53/95/598935395.db2.gz IDWMTCZSAUCMSD-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1c(CCNc2c3ccccc3nnc2-c2nnn[n-]2)nc2ccccn12 ZINC000738438156 598935564 /nfs/dbraw/zinc/93/55/64/598935564.db2.gz XYIWUUQZHGPBML-UHFFFAOYSA-N -1 1 357.381 2.112 20 0 FEADMM c1c(CCNc2c3ccccc3nnc2-c2nn[n-]n2)nc2ccccn12 ZINC000738438156 598935566 /nfs/dbraw/zinc/93/55/66/598935566.db2.gz XYIWUUQZHGPBML-UHFFFAOYSA-N -1 1 357.381 2.112 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000736135571 598940450 /nfs/dbraw/zinc/94/04/50/598940450.db2.gz BLQSHIJNURZGOD-YUMQZZPRSA-N -1 1 355.855 2.178 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000736135571 598940452 /nfs/dbraw/zinc/94/04/52/598940452.db2.gz BLQSHIJNURZGOD-YUMQZZPRSA-N -1 1 355.855 2.178 20 0 FEADMM CN(C)C(=O)c1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736753766 598957977 /nfs/dbraw/zinc/95/79/77/598957977.db2.gz QAURZWMMGOWCQB-UHFFFAOYSA-N -1 1 361.365 2.304 20 0 FEADMM Fc1ccccc1OCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737668279 598955055 /nfs/dbraw/zinc/95/50/55/598955055.db2.gz FUNIJOBJVXJRMR-UHFFFAOYSA-N -1 1 351.345 2.440 20 0 FEADMM Fc1ccccc1OCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737668279 598955056 /nfs/dbraw/zinc/95/50/56/598955056.db2.gz FUNIJOBJVXJRMR-UHFFFAOYSA-N -1 1 351.345 2.440 20 0 FEADMM Cn1c(CNc2c3ccccc3nnc2-c2nnn[n-]2)nc2ccccc21 ZINC000737592420 598957035 /nfs/dbraw/zinc/95/70/35/598957035.db2.gz OJIWVGVFLANOLB-UHFFFAOYSA-N -1 1 357.381 2.309 20 0 FEADMM Cn1c(CNc2c3ccccc3nnc2-c2nn[n-]n2)nc2ccccc21 ZINC000737592420 598957036 /nfs/dbraw/zinc/95/70/36/598957036.db2.gz OJIWVGVFLANOLB-UHFFFAOYSA-N -1 1 357.381 2.309 20 0 FEADMM CCOC(=O)C1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736591886 598961778 /nfs/dbraw/zinc/96/17/78/598961778.db2.gz XYZSHRZJURWASS-UHFFFAOYSA-N -1 1 367.413 2.344 20 0 FEADMM CCOC(=O)C1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736591886 598961779 /nfs/dbraw/zinc/96/17/79/598961779.db2.gz XYZSHRZJURWASS-UHFFFAOYSA-N -1 1 367.413 2.344 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000821694348 607255171 /nfs/dbraw/zinc/25/51/71/607255171.db2.gz JFDYJGDLRKCVJL-UHFFFAOYSA-N -1 1 373.438 2.165 20 0 FEADMM CCNC(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736578021 598963778 /nfs/dbraw/zinc/96/37/78/598963778.db2.gz PDIQEJBSYIOCMT-UHFFFAOYSA-N -1 1 361.365 2.352 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000738382048 598975935 /nfs/dbraw/zinc/97/59/35/598975935.db2.gz JRLYTLBGAXNJFZ-ZDUSSCGKSA-N -1 1 369.335 2.234 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000738382048 598975937 /nfs/dbraw/zinc/97/59/37/598975937.db2.gz JRLYTLBGAXNJFZ-ZDUSSCGKSA-N -1 1 369.335 2.234 20 0 FEADMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737388121 598997712 /nfs/dbraw/zinc/99/77/12/598997712.db2.gz BBBNYNUHGBZXKS-ZDUSSCGKSA-N -1 1 352.398 2.076 20 0 FEADMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737388121 598997713 /nfs/dbraw/zinc/99/77/13/598997713.db2.gz BBBNYNUHGBZXKS-ZDUSSCGKSA-N -1 1 352.398 2.076 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC2(CCC2)c2c1cccc2F ZINC000738258694 599002879 /nfs/dbraw/zinc/00/28/79/599002879.db2.gz LKSXCVOYXVOQTQ-UHFFFAOYSA-N -1 1 350.357 2.483 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC2(CCC2)c2c1cccc2F ZINC000738258694 599002881 /nfs/dbraw/zinc/00/28/81/599002881.db2.gz LKSXCVOYXVOQTQ-UHFFFAOYSA-N -1 1 350.357 2.483 20 0 FEADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735480851 599004091 /nfs/dbraw/zinc/00/40/91/599004091.db2.gz BSYBDPQVLXJAHI-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735480851 599004093 /nfs/dbraw/zinc/00/40/93/599004093.db2.gz BSYBDPQVLXJAHI-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000738259474 599024634 /nfs/dbraw/zinc/02/46/34/599024634.db2.gz QCMMWSWYSNOPRK-HNNXBMFYSA-N -1 1 370.800 2.129 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000738259474 599024635 /nfs/dbraw/zinc/02/46/35/599024635.db2.gz QCMMWSWYSNOPRK-HNNXBMFYSA-N -1 1 370.800 2.129 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738258202 599028886 /nfs/dbraw/zinc/02/88/86/599028886.db2.gz HUKISGADCKUXBU-UHFFFAOYSA-N -1 1 366.400 2.496 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738258202 599028887 /nfs/dbraw/zinc/02/88/87/599028887.db2.gz HUKISGADCKUXBU-UHFFFAOYSA-N -1 1 366.400 2.496 20 0 FEADMM CCCCOCCOCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821077316 599102881 /nfs/dbraw/zinc/10/28/81/599102881.db2.gz AEPATAQNMXXDKK-UHFFFAOYSA-N -1 1 357.418 2.055 20 0 FEADMM CCCCOCCOCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821077316 599102883 /nfs/dbraw/zinc/10/28/83/599102883.db2.gz AEPATAQNMXXDKK-UHFFFAOYSA-N -1 1 357.418 2.055 20 0 FEADMM Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737388756 599136998 /nfs/dbraw/zinc/13/69/98/599136998.db2.gz FFPRHPLJPZIWNP-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737388756 599136999 /nfs/dbraw/zinc/13/69/99/599136999.db2.gz FFPRHPLJPZIWNP-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821170551 599301515 /nfs/dbraw/zinc/30/15/15/599301515.db2.gz SJMAEXIUEOHVNJ-UHFFFAOYSA-N -1 1 369.756 2.093 20 0 FEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)n1C1CC1 ZINC000737227720 599143272 /nfs/dbraw/zinc/14/32/72/599143272.db2.gz PTUUYDNGNFCZTL-UHFFFAOYSA-N -1 1 366.381 2.055 20 0 FEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)n1C1CC1 ZINC000737227720 599143274 /nfs/dbraw/zinc/14/32/74/599143274.db2.gz PTUUYDNGNFCZTL-UHFFFAOYSA-N -1 1 366.381 2.055 20 0 FEADMM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000807449051 674416337 /nfs/dbraw/zinc/41/63/37/674416337.db2.gz INHLDFYZYVQOEO-GFCCVEGCSA-N -1 1 350.415 2.337 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC000739455470 597039614 /nfs/dbraw/zinc/03/96/14/597039614.db2.gz HSSAQRWCHBKRDV-UHFFFAOYSA-N -1 1 360.458 2.347 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000818207844 597318146 /nfs/dbraw/zinc/31/81/46/597318146.db2.gz PQDUUKASNPKYIK-NSHDSACASA-N -1 1 354.838 2.077 20 0 FEADMM FC(F)(F)CN1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737626673 599262748 /nfs/dbraw/zinc/26/27/48/599262748.db2.gz IVSZJNARLRBQLP-UHFFFAOYSA-N -1 1 363.347 2.099 20 0 FEADMM FC(F)(F)CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737626673 599262750 /nfs/dbraw/zinc/26/27/50/599262750.db2.gz IVSZJNARLRBQLP-UHFFFAOYSA-N -1 1 363.347 2.099 20 0 FEADMM O=C(C1CC1)N1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737785337 599265561 /nfs/dbraw/zinc/26/55/61/599265561.db2.gz ZKNCAFZNIFDOQT-UHFFFAOYSA-N -1 1 363.425 2.228 20 0 FEADMM O=C(C1CC1)N1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737785337 599265564 /nfs/dbraw/zinc/26/55/64/599265564.db2.gz ZKNCAFZNIFDOQT-UHFFFAOYSA-N -1 1 363.425 2.228 20 0 FEADMM CC[C@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807706518 674424650 /nfs/dbraw/zinc/42/46/50/674424650.db2.gz WUIAETYUDPLTFB-HPCHECBXSA-N -1 1 364.408 2.496 20 0 FEADMM C[C@H](OCC1CC1)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707829 674424973 /nfs/dbraw/zinc/42/49/73/674424973.db2.gz CBGYAFZHJCMLIQ-ZPFDUUQYSA-N -1 1 350.381 2.106 20 0 FEADMM C[C@@H](OCC1CC1)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707827 674425017 /nfs/dbraw/zinc/42/50/17/674425017.db2.gz CBGYAFZHJCMLIQ-KQXIARHKSA-N -1 1 350.381 2.106 20 0 FEADMM COc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000737131855 599290476 /nfs/dbraw/zinc/29/04/76/599290476.db2.gz GSBJJYWQYTZGPH-UHFFFAOYSA-N -1 1 368.784 2.287 20 0 FEADMM O=c1cc(CSc2cccc(F)c2-c2nn[n-]n2)nc2ccccn12 ZINC000738380658 598241082 /nfs/dbraw/zinc/24/10/82/598241082.db2.gz RHPDVJXVUMOVCI-UHFFFAOYSA-N -1 1 354.370 2.306 20 0 FEADMM O=C(CC1CCCCC1)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737818191 598245886 /nfs/dbraw/zinc/24/58/86/598245886.db2.gz CXAVGUJJJMIOEV-UHFFFAOYSA-N -1 1 369.882 2.475 20 0 FEADMM O=C(CC1CCCCC1)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737818191 598245888 /nfs/dbraw/zinc/24/58/88/598245888.db2.gz CXAVGUJJJMIOEV-UHFFFAOYSA-N -1 1 369.882 2.475 20 0 FEADMM O=S(=O)(N[C@H](c1ccccc1)C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328518 598252683 /nfs/dbraw/zinc/25/26/83/598252683.db2.gz GPWAAPDZDGECGR-MRXNPFEDSA-N -1 1 370.438 2.081 20 0 FEADMM O=S(=O)(N[C@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328518 598252685 /nfs/dbraw/zinc/25/26/85/598252685.db2.gz GPWAAPDZDGECGR-MRXNPFEDSA-N -1 1 370.438 2.081 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(C)CCCC1 ZINC000737202223 598534554 /nfs/dbraw/zinc/53/45/54/598534554.db2.gz XOKAETSYOJXXGG-UHFFFAOYSA-N -1 1 358.446 2.213 20 0 FEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000738294544 598594505 /nfs/dbraw/zinc/59/45/05/598594505.db2.gz CPQFORSRBGZBKK-SECBINFHSA-N -1 1 361.818 2.194 20 0 FEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000738294544 598594507 /nfs/dbraw/zinc/59/45/07/598594507.db2.gz CPQFORSRBGZBKK-SECBINFHSA-N -1 1 361.818 2.194 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(C2CCCC2)no1 ZINC000737200040 598609726 /nfs/dbraw/zinc/60/97/26/598609726.db2.gz RSOFNYCSKCSWGF-UHFFFAOYSA-N -1 1 355.402 2.410 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]Nc2c(F)cccc2Cl)s1 ZINC000808109840 674441560 /nfs/dbraw/zinc/44/15/60/674441560.db2.gz HZAXUYNJPAXPNM-UHFFFAOYSA-N -1 1 364.811 2.199 20 0 FEADMM O=C(Nc1ccccc1)c1cccc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000738192869 598676443 /nfs/dbraw/zinc/67/64/43/598676443.db2.gz YWTAYVQGYVGBKB-UHFFFAOYSA-N -1 1 372.388 2.329 20 0 FEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738338744 598687792 /nfs/dbraw/zinc/68/77/92/598687792.db2.gz ITLSTFATGIANTI-UHFFFAOYSA-N -1 1 360.370 2.262 20 0 FEADMM CN(CC1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736795909 598688178 /nfs/dbraw/zinc/68/81/78/598688178.db2.gz ZJNKXJGXUKDOIK-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM Cc1cccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737393317 598691955 /nfs/dbraw/zinc/69/19/55/598691955.db2.gz HWLQOUKJYPZTTD-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1ccc2ncccc2c1 ZINC000808120066 674442281 /nfs/dbraw/zinc/44/22/81/674442281.db2.gz KXYBDMQNONNTJI-UHFFFAOYSA-N -1 1 356.403 2.253 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1 ZINC000808124241 674442560 /nfs/dbraw/zinc/44/25/60/674442560.db2.gz NVYWGACUXGXWOS-UHFFFAOYSA-N -1 1 363.391 2.186 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccco2)C1 ZINC000820726659 599326804 /nfs/dbraw/zinc/32/68/04/599326804.db2.gz AATQUTUHSSVNFF-SMDDNHRTSA-N -1 1 374.426 2.017 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccco2)C1 ZINC000820726659 599326806 /nfs/dbraw/zinc/32/68/06/599326806.db2.gz AATQUTUHSSVNFF-SMDDNHRTSA-N -1 1 374.426 2.017 20 0 FEADMM CC(C)C[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820068222 599339526 /nfs/dbraw/zinc/33/95/26/599339526.db2.gz PBRVEJJSOWZGHB-LLVKDONJSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)C[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820068222 599339529 /nfs/dbraw/zinc/33/95/29/599339529.db2.gz PBRVEJJSOWZGHB-LLVKDONJSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)(C)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000819906049 599344143 /nfs/dbraw/zinc/34/41/43/599344143.db2.gz BLABDJYTCRXYIF-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM CC(C)(C)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000819906049 599344144 /nfs/dbraw/zinc/34/41/44/599344144.db2.gz BLABDJYTCRXYIF-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM CC(C)[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nc(-c2cccnc2)no1 ZINC000820027016 599424267 /nfs/dbraw/zinc/42/42/67/599424267.db2.gz PHWKEBDKQJEUFJ-CQSZACIVSA-N -1 1 366.385 2.392 20 0 FEADMM CC(C)[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nc(-c2cccnc2)no1 ZINC000820027016 599424270 /nfs/dbraw/zinc/42/42/70/599424270.db2.gz PHWKEBDKQJEUFJ-CQSZACIVSA-N -1 1 366.385 2.392 20 0 FEADMM O=C(Nc1cccc(F)c1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738182002 599426579 /nfs/dbraw/zinc/42/65/79/599426579.db2.gz DBMILECYKBJPHD-UHFFFAOYSA-N -1 1 367.388 2.256 20 0 FEADMM O=C(Nc1cccc(F)c1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738182002 599426583 /nfs/dbraw/zinc/42/65/83/599426583.db2.gz DBMILECYKBJPHD-UHFFFAOYSA-N -1 1 367.388 2.256 20 0 FEADMM OC[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000823705329 599472686 /nfs/dbraw/zinc/47/26/86/599472686.db2.gz FXCWKVIWERCYOF-SECBINFHSA-N -1 1 368.825 2.379 20 0 FEADMM OC[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000823705329 599472687 /nfs/dbraw/zinc/47/26/87/599472687.db2.gz FXCWKVIWERCYOF-SECBINFHSA-N -1 1 368.825 2.379 20 0 FEADMM c1cnc(N2CCC[C@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2)nc1 ZINC000823808999 599484502 /nfs/dbraw/zinc/48/45/02/599484502.db2.gz HCSROCQAHAJCDR-ZDUSSCGKSA-N -1 1 373.424 2.286 20 0 FEADMM c1cnc(N2CCC[C@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)nc1 ZINC000823808999 599484504 /nfs/dbraw/zinc/48/45/04/599484504.db2.gz HCSROCQAHAJCDR-ZDUSSCGKSA-N -1 1 373.424 2.286 20 0 FEADMM COC(=O)[C@@H]1CC12CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821654089 599557970 /nfs/dbraw/zinc/55/79/70/599557970.db2.gz SWMOKAYIEPINDC-ZDUSSCGKSA-N -1 1 364.409 2.194 20 0 FEADMM COC(=O)[C@@H]1CC12CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821654089 599557971 /nfs/dbraw/zinc/55/79/71/599557971.db2.gz SWMOKAYIEPINDC-ZDUSSCGKSA-N -1 1 364.409 2.194 20 0 FEADMM COc1ccc(C[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000821790037 599591133 /nfs/dbraw/zinc/59/11/33/599591133.db2.gz FOSZGKNWAWUCRH-CQSZACIVSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccc(C[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000821790037 599591136 /nfs/dbraw/zinc/59/11/36/599591136.db2.gz FOSZGKNWAWUCRH-CQSZACIVSA-N -1 1 351.414 2.124 20 0 FEADMM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736059128 599603726 /nfs/dbraw/zinc/60/37/26/599603726.db2.gz QQKWDSIISNVJQV-MRVPVSSYSA-N -1 1 365.319 2.183 20 0 FEADMM O=C(Oc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823453856 599628143 /nfs/dbraw/zinc/62/81/43/599628143.db2.gz CEAHFECBGGNJKG-UHFFFAOYSA-N -1 1 351.244 2.380 20 0 FEADMM O=C(Oc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823453856 599628144 /nfs/dbraw/zinc/62/81/44/599628144.db2.gz CEAHFECBGGNJKG-UHFFFAOYSA-N -1 1 351.244 2.380 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)C(F)(F)F ZINC000822010088 599628248 /nfs/dbraw/zinc/62/82/48/599628248.db2.gz MSCHKVPOZYKYBQ-QMMMGPOBSA-N -1 1 359.308 2.011 20 0 FEADMM CCC(CC)(CNc1nccnc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820887762 599686590 /nfs/dbraw/zinc/68/65/90/599686590.db2.gz PRVHZVLQNBLWGC-UHFFFAOYSA-N -1 1 362.438 2.152 20 0 FEADMM CCC(CC)(CNc1nccnc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820887762 599686591 /nfs/dbraw/zinc/68/65/91/599686591.db2.gz PRVHZVLQNBLWGC-UHFFFAOYSA-N -1 1 362.438 2.152 20 0 FEADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820804468 599688221 /nfs/dbraw/zinc/68/82/21/599688221.db2.gz SSDHJXNUQQOGKF-WHFBIAKZSA-N -1 1 354.745 2.133 20 0 FEADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820804468 599688222 /nfs/dbraw/zinc/68/82/22/599688222.db2.gz SSDHJXNUQQOGKF-WHFBIAKZSA-N -1 1 354.745 2.133 20 0 FEADMM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C2CC2)c1-c1nn[nH]n1 ZINC000822016002 599690601 /nfs/dbraw/zinc/69/06/01/599690601.db2.gz RVYXXXFGUQKQDB-UHFFFAOYSA-N -1 1 365.441 2.307 20 0 FEADMM CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736995210 599786074 /nfs/dbraw/zinc/78/60/74/599786074.db2.gz KYUFZTDJASHFSV-LBPRGKRZSA-N -1 1 360.501 2.379 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000736653213 599884172 /nfs/dbraw/zinc/88/41/72/599884172.db2.gz WBVPRRYILOMDMV-NXEZZACHSA-N -1 1 371.349 2.277 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)Cc1scnc1C ZINC000737864832 599954248 /nfs/dbraw/zinc/95/42/48/599954248.db2.gz HHVUBFLVFOGBKH-ZDUSSCGKSA-N -1 1 366.439 2.030 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN(C)Cc1scnc1C ZINC000737864831 599954329 /nfs/dbraw/zinc/95/43/29/599954329.db2.gz HHVUBFLVFOGBKH-CYBMUJFWSA-N -1 1 366.439 2.030 20 0 FEADMM COc1cc(C)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1C ZINC000737867320 600053516 /nfs/dbraw/zinc/05/35/16/600053516.db2.gz ISKOMROCNBOTLK-UHFFFAOYSA-N -1 1 356.425 2.196 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000739544076 600064265 /nfs/dbraw/zinc/06/42/65/600064265.db2.gz DKJKONWHXCPSFS-LSDHHAIUSA-N -1 1 370.371 2.460 20 0 FEADMM COc1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)[O-])N2CCCCC2)cc1 ZINC000737957600 600151558 /nfs/dbraw/zinc/15/15/58/600151558.db2.gz PLMDXUQHFYUATF-MRXNPFEDSA-N -1 1 363.458 2.385 20 0 FEADMM Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(C(=O)[O-])[nH]1 ZINC000738463649 600255910 /nfs/dbraw/zinc/25/59/10/600255910.db2.gz OJGUWXRDGKBQQX-UHFFFAOYSA-N -1 1 372.786 2.247 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)N[C@H](CN(C)C)c2ccccc2)c(C(=O)[O-])c1C ZINC000736182636 600275482 /nfs/dbraw/zinc/27/54/82/600275482.db2.gz RBAWUFVGOUFXBK-MRXNPFEDSA-N -1 1 371.437 2.186 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCOc2cccc(Cl)c2)CCCCC1 ZINC000739307753 600319086 /nfs/dbraw/zinc/31/90/86/600319086.db2.gz BNLZNOMTXGAZKR-UHFFFAOYSA-N -1 1 354.834 2.212 20 0 FEADMM C[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736596303 600345519 /nfs/dbraw/zinc/34/55/19/600345519.db2.gz UKMAYIHCUUWEDS-MAUKXSAKSA-N -1 1 371.481 2.330 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736443972 600381973 /nfs/dbraw/zinc/38/19/73/600381973.db2.gz SSXOXTHRZNHCLW-ZDUSSCGKSA-N -1 1 353.394 2.002 20 0 FEADMM CCc1cc(CNC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)n[nH]1 ZINC000737253891 600460010 /nfs/dbraw/zinc/46/00/10/600460010.db2.gz KRSYGAKMAMHDQP-ZDUSSCGKSA-N -1 1 371.441 2.091 20 0 FEADMM Cc1nn(C)c2nc(Cl)c(CN(CCC(=O)[O-])C[C@@H]3CCCO3)cc12 ZINC000738918441 600510710 /nfs/dbraw/zinc/51/07/10/600510710.db2.gz MUXNHJZKHGDCFI-ZDUSSCGKSA-N -1 1 366.849 2.386 20 0 FEADMM CN1CCN(C(C)(C)CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000737515904 600512184 /nfs/dbraw/zinc/51/21/84/600512184.db2.gz PLTJDLNOTSACBR-UHFFFAOYSA-N -1 1 368.865 2.186 20 0 FEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000324936449 600514001 /nfs/dbraw/zinc/51/40/01/600514001.db2.gz PAOLFOIIJZNUAL-UHFFFAOYSA-N -1 1 362.285 2.479 20 0 FEADMM O=C([O-])CCN(CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCCO1 ZINC000739717016 600514113 /nfs/dbraw/zinc/51/41/13/600514113.db2.gz DXWAITXRGADSIN-FUHWJXTLSA-N -1 1 360.454 2.136 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1C(=O)[O-] ZINC000738070097 600544696 /nfs/dbraw/zinc/54/46/96/600544696.db2.gz YQFPWPBYZYHUQI-JTQLQIEISA-N -1 1 365.411 2.362 20 0 FEADMM CC[C@@](C)(NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000736863759 600560644 /nfs/dbraw/zinc/56/06/44/600560644.db2.gz OIJDISFBQQZZDW-CQSZACIVSA-N -1 1 358.320 2.363 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-n3cc[nH]c3=O)c2)cs1 ZINC000833306023 600678442 /nfs/dbraw/zinc/67/84/42/600678442.db2.gz LAKPKKBMIGOWBO-UHFFFAOYSA-N -1 1 365.392 2.138 20 0 FEADMM COc1ccc(C2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC000832274156 600799858 /nfs/dbraw/zinc/79/98/58/600799858.db2.gz VZSRCVDVDMZZOO-GOSISDBHSA-N -1 1 362.470 2.490 20 0 FEADMM O=C([O-])CCSCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000833240762 600952776 /nfs/dbraw/zinc/95/27/76/600952776.db2.gz YDTBRSDOKFYAHW-INIZCTEOSA-N -1 1 350.484 2.365 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccnc2N2CCCC2)ccc1C(=O)[O-] ZINC000327687479 600977819 /nfs/dbraw/zinc/97/78/19/600977819.db2.gz QITPEFYHVUPZOC-UHFFFAOYSA-N -1 1 361.423 2.489 20 0 FEADMM C[C@H]1CN(Cc2ccc(CNc3cncc(C(=O)[O-])n3)cc2)C[C@H](C)O1 ZINC000649384859 601000031 /nfs/dbraw/zinc/00/00/31/601000031.db2.gz XFOZCGAHFSLWRA-KBPBESRZSA-N -1 1 356.426 2.396 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000827936003 601017782 /nfs/dbraw/zinc/01/77/82/601017782.db2.gz ZBEQGEBVGPMDBL-WFASDCNBSA-N -1 1 354.447 2.237 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000832849066 601084104 /nfs/dbraw/zinc/08/41/04/601084104.db2.gz SPKZFKCCRYDZDV-UHFFFAOYSA-N -1 1 363.321 2.248 20 0 FEADMM Cc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1-n1cccc1 ZINC000832910817 601089532 /nfs/dbraw/zinc/08/95/32/601089532.db2.gz CTBZCMRWIGRYSB-MRXNPFEDSA-N -1 1 355.438 2.407 20 0 FEADMM Cc1cccc2c(CCC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c[nH]c21 ZINC000630225835 601090448 /nfs/dbraw/zinc/09/04/48/601090448.db2.gz SQLBNRIXVSWQST-OAHLLOKOSA-N -1 1 357.454 2.416 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccccc2Cl)CC1 ZINC000827362136 601092679 /nfs/dbraw/zinc/09/26/79/601092679.db2.gz IUGGYPSFHPDPBB-ZDUSSCGKSA-N -1 1 354.834 2.116 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000827374858 601123994 /nfs/dbraw/zinc/12/39/94/601123994.db2.gz NIFAVWHMUZLSSP-QMMMGPOBSA-N -1 1 366.365 2.175 20 0 FEADMM COc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000832398128 601126611 /nfs/dbraw/zinc/12/66/11/601126611.db2.gz FHJZCUNHBPRIPR-LLVKDONJSA-N -1 1 355.822 2.361 20 0 FEADMM CCOc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1F ZINC000830084446 601130444 /nfs/dbraw/zinc/13/04/44/601130444.db2.gz DSSBEXROVLLWAU-LBPRGKRZSA-N -1 1 353.394 2.237 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccnn2C2CCCCC2)CC1 ZINC000827374662 601131791 /nfs/dbraw/zinc/13/17/91/601131791.db2.gz KEJNKFCYHTXLFN-AWEZNQCLSA-N -1 1 363.462 2.401 20 0 FEADMM CCc1nc2cc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)ccc2o1 ZINC000830322518 601134014 /nfs/dbraw/zinc/13/40/14/601134014.db2.gz CVLQXWKOVGSANO-LBPRGKRZSA-N -1 1 360.414 2.403 20 0 FEADMM Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1C(=O)[O-] ZINC000832945589 601141666 /nfs/dbraw/zinc/14/16/66/601141666.db2.gz WIGLWTMCXWSORC-KRWDZBQOSA-N -1 1 362.474 2.087 20 0 FEADMM Cc1nnc(SCC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)[nH]1 ZINC000832990901 601186997 /nfs/dbraw/zinc/18/69/97/601186997.db2.gz LAEUGWUBAVBJRX-UHFFFAOYSA-N -1 1 355.445 2.296 20 0 FEADMM Cc1n[nH]c(SCC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)n1 ZINC000832990901 601186998 /nfs/dbraw/zinc/18/69/98/601186998.db2.gz LAEUGWUBAVBJRX-UHFFFAOYSA-N -1 1 355.445 2.296 20 0 FEADMM COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000831058724 601205639 /nfs/dbraw/zinc/20/56/39/601205639.db2.gz ADDRYMQJVZKWBH-UGSOOPFHSA-N -1 1 370.405 2.463 20 0 FEADMM Clc1ccccc1[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC000826353376 607495894 /nfs/dbraw/zinc/49/58/94/607495894.db2.gz MUJBXSAXUWUMHU-INIZCTEOSA-N -1 1 356.817 2.489 20 0 FEADMM Clc1ccccc1[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000826353376 607495895 /nfs/dbraw/zinc/49/58/95/607495895.db2.gz MUJBXSAXUWUMHU-INIZCTEOSA-N -1 1 356.817 2.489 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)N1CCC(C)CC1 ZINC000828286438 601228487 /nfs/dbraw/zinc/22/84/87/601228487.db2.gz UDKUKUOYKZZKGJ-PXTSUWAFSA-N -1 1 366.483 2.183 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000828237644 601239839 /nfs/dbraw/zinc/23/98/39/601239839.db2.gz COPGJUHHGOSBDJ-UHUXCJHTSA-N -1 1 366.483 2.326 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000833183276 601278145 /nfs/dbraw/zinc/27/81/45/601278145.db2.gz RRYSIZWCUFJULY-IAGOWNOFSA-N -1 1 366.502 2.276 20 0 FEADMM CCC1CCC(NCC(=O)NCc2ccc3c(c2)OCO3)(C(=O)[O-])CC1 ZINC000829101797 601495774 /nfs/dbraw/zinc/49/57/74/601495774.db2.gz XSPPGYFGGSDMCX-UHFFFAOYSA-N -1 1 362.426 2.045 20 0 FEADMM CC[C@H]1CN(C)c2ccccc2CN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000829140650 601544331 /nfs/dbraw/zinc/54/43/31/601544331.db2.gz GNUPAUSPAIFMIX-KRWDZBQOSA-N -1 1 359.470 2.040 20 0 FEADMM O=C([O-])[C@@H]1c2ccccc2CCN1CC(=O)NCc1cc(F)cc(F)c1 ZINC000662233224 601546471 /nfs/dbraw/zinc/54/64/71/601546471.db2.gz KUZIWRSUMNTIIL-SFHVURJKSA-N -1 1 360.360 2.265 20 0 FEADMM CN(CCOCC1CC1)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000830788809 601548691 /nfs/dbraw/zinc/54/86/91/601548691.db2.gz BSVUUWVSXBGBTE-SFHVURJKSA-N -1 1 373.453 2.080 20 0 FEADMM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000826669413 601784308 /nfs/dbraw/zinc/78/43/08/601784308.db2.gz HRRLBQIONQAWQN-UHFFFAOYSA-N -1 1 350.396 2.363 20 0 FEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C(=O)O1 ZINC000809382812 674492320 /nfs/dbraw/zinc/49/23/20/674492320.db2.gz NDMVUFJVBTWZQW-RCOVLWMOSA-N -1 1 357.737 2.341 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@@H](N3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000829430532 601849923 /nfs/dbraw/zinc/84/99/23/601849923.db2.gz AKALJGKBXINPDD-OXQOHEQNSA-N -1 1 358.438 2.458 20 0 FEADMM O=[S@@](Cc1cccc(OC(F)F)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826495825 607530503 /nfs/dbraw/zinc/53/05/03/607530503.db2.gz CUVRPOHLZAAPCB-VWLOTQADSA-N -1 1 365.365 2.312 20 0 FEADMM O=[S@@](Cc1cccc(OC(F)F)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826495825 607530504 /nfs/dbraw/zinc/53/05/04/607530504.db2.gz CUVRPOHLZAAPCB-VWLOTQADSA-N -1 1 365.365 2.312 20 0 FEADMM CC[C@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000739262752 601944599 /nfs/dbraw/zinc/94/45/99/601944599.db2.gz MDNLPOLUKYICIO-DOMZBBRYSA-N -1 1 353.850 2.497 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000263055245 602017811 /nfs/dbraw/zinc/01/78/11/602017811.db2.gz FWJXJNDJSSGMQC-AWEZNQCLSA-N -1 1 352.188 2.262 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739604830 602061087 /nfs/dbraw/zinc/06/10/87/602061087.db2.gz ASVYNPXLUWRSBU-BBRMVZONSA-N -1 1 366.437 2.118 20 0 FEADMM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739239087 602137835 /nfs/dbraw/zinc/13/78/35/602137835.db2.gz RWBIRVOLBFHMFS-PBHICJAKSA-N -1 1 362.474 2.055 20 0 FEADMM Cc1cc(NCc2ccnc(-c3nnn[n-]3)c2)ccc1C(=O)NC(C)C ZINC000826271117 607550792 /nfs/dbraw/zinc/55/07/92/607550792.db2.gz CWSNCTSZQZRLKE-UHFFFAOYSA-N -1 1 351.414 2.320 20 0 FEADMM Cc1cc(NCc2ccnc(-c3nn[n-]n3)c2)ccc1C(=O)NC(C)C ZINC000826271117 607550794 /nfs/dbraw/zinc/55/07/94/607550794.db2.gz CWSNCTSZQZRLKE-UHFFFAOYSA-N -1 1 351.414 2.320 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCCN1C(=O)[O-])c1ccco1 ZINC000739409426 602143218 /nfs/dbraw/zinc/14/32/18/602143218.db2.gz XTKIZAVIQIPAKT-LSDHHAIUSA-N -1 1 366.462 2.494 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)sc1C ZINC000558445394 674496546 /nfs/dbraw/zinc/49/65/46/674496546.db2.gz XQYAZSLUTRHSDY-GDBMZVCRSA-N -1 1 352.481 2.204 20 0 FEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000740534767 602326402 /nfs/dbraw/zinc/32/64/02/602326402.db2.gz LKHYNNGZBIVZNP-MRXNPFEDSA-N -1 1 351.366 2.085 20 0 FEADMM CN(CC1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1)C(=O)[O-] ZINC000739652236 602415421 /nfs/dbraw/zinc/41/54/21/602415421.db2.gz ZJLVGDFTEFKBPO-UHFFFAOYSA-N -1 1 374.485 2.076 20 0 FEADMM CCN(CCNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000739430171 602441918 /nfs/dbraw/zinc/44/19/18/602441918.db2.gz CVXWKEDVPDWFTP-CQSZACIVSA-N -1 1 352.435 2.024 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000739016653 602450779 /nfs/dbraw/zinc/45/07/79/602450779.db2.gz QRDVFLACBHODGW-STQMWFEESA-N -1 1 365.499 2.389 20 0 FEADMM CCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739342454 602516433 /nfs/dbraw/zinc/51/64/33/602516433.db2.gz JDEYIENAILUHIQ-CYBMUJFWSA-N -1 1 374.445 2.032 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])N2CCCC2)o1 ZINC000740118071 602626856 /nfs/dbraw/zinc/62/68/56/602626856.db2.gz OVSSEFFYLZINFI-GXTWGEPZSA-N -1 1 352.435 2.022 20 0 FEADMM C[C@@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738917610 602700484 /nfs/dbraw/zinc/70/04/84/602700484.db2.gz FDQLCPBTJGMNQF-HOTGVXAUSA-N -1 1 374.485 2.122 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739957456 602763507 /nfs/dbraw/zinc/76/35/07/602763507.db2.gz IAUWCWOBGXCDSQ-HOSILWTGSA-N -1 1 363.458 2.239 20 0 FEADMM O=S(=O)(NCCC1CCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491040 607584747 /nfs/dbraw/zinc/58/47/47/607584747.db2.gz RGDFMQIBSGSKFE-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM O=S(=O)(NCCC1CCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491040 607584748 /nfs/dbraw/zinc/58/47/48/607584748.db2.gz RGDFMQIBSGSKFE-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739441018 602800138 /nfs/dbraw/zinc/80/01/38/602800138.db2.gz JQFRTUOMCMDLLV-BBRMVZONSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)CC[C@H]1NC(=O)[O-] ZINC000739132053 602836265 /nfs/dbraw/zinc/83/62/65/602836265.db2.gz DXMWQMKLZKMLJA-WQVCFCJDSA-N -1 1 366.437 2.116 20 0 FEADMM C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739613220 602856947 /nfs/dbraw/zinc/85/69/47/602856947.db2.gz TXVBXYODIZDYRG-UHFFFAOYSA-N -1 1 373.409 2.353 20 0 FEADMM C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824925476 607595409 /nfs/dbraw/zinc/59/54/09/607595409.db2.gz DASKIHHPTVCUDO-GHMZBOCLSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739136607 602955692 /nfs/dbraw/zinc/95/56/92/602955692.db2.gz OUYURWBDNDIUGN-JHJVBQTASA-N -1 1 354.476 2.133 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000809833837 674514528 /nfs/dbraw/zinc/51/45/28/674514528.db2.gz ZFGCICSQUYPEOM-OAHLLOKOSA-N -1 1 371.499 2.489 20 0 FEADMM O=C([O-])N1CCC[C@@H]1C1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000740515441 602992117 /nfs/dbraw/zinc/99/21/17/602992117.db2.gz IGNQCAAGXWFCFZ-GOSISDBHSA-N -1 1 370.453 2.251 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000739194654 602994383 /nfs/dbraw/zinc/99/43/83/602994383.db2.gz BJXXMYMWLRTJAL-CRAIPNDOSA-N -1 1 374.485 2.265 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-])c1cccs1 ZINC000827994534 603003906 /nfs/dbraw/zinc/00/39/06/603003906.db2.gz LZWWTORSMGLSFP-JHJVBQTASA-N -1 1 354.476 2.086 20 0 FEADMM O=C([O-])NC1(c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)CCC1 ZINC000740549831 603005282 /nfs/dbraw/zinc/00/52/82/603005282.db2.gz IMGZMHYUBCKHJL-AWEZNQCLSA-N -1 1 357.414 2.491 20 0 FEADMM CC1CCC(C)(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824909850 607602713 /nfs/dbraw/zinc/60/27/13/607602713.db2.gz VJJKZXIZVXXPJI-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM CC1CCC(C)(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824909850 607602715 /nfs/dbraw/zinc/60/27/15/607602715.db2.gz VJJKZXIZVXXPJI-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM COC(=O)[C@H](OC)c1ccccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000809851409 674516866 /nfs/dbraw/zinc/51/68/66/674516866.db2.gz YJHYCDXUAXPXBS-CQSZACIVSA-N -1 1 368.411 2.161 20 0 FEADMM COC(=O)[C@H](OC)c1ccccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000809851409 674516869 /nfs/dbraw/zinc/51/68/69/674516869.db2.gz YJHYCDXUAXPXBS-CQSZACIVSA-N -1 1 368.411 2.161 20 0 FEADMM COCCN(CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000739821639 603102410 /nfs/dbraw/zinc/10/24/10/603102410.db2.gz DLBMIERHUQLDBS-SECBINFHSA-N -1 1 354.794 2.020 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCNC(=O)[O-] ZINC000738630952 603257397 /nfs/dbraw/zinc/25/73/97/603257397.db2.gz UGTYUZWJEQDVTR-JTQLQIEISA-N -1 1 358.236 2.366 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740575745 603261930 /nfs/dbraw/zinc/26/19/30/603261930.db2.gz SDAGMBOZWGNGFF-DGCLKSJQSA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740575745 603261932 /nfs/dbraw/zinc/26/19/32/603261932.db2.gz SDAGMBOZWGNGFF-DGCLKSJQSA-N -1 1 361.377 2.053 20 0 FEADMM COCCN1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739836045 603305391 /nfs/dbraw/zinc/30/53/91/603305391.db2.gz WDDHBJHRJAFMSB-GFCCVEGCSA-N -1 1 355.822 2.271 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739905404 603357677 /nfs/dbraw/zinc/35/76/77/603357677.db2.gz DMCWUARMAUBUQI-LLVKDONJSA-N -1 1 355.822 2.361 20 0 FEADMM O=C([O-])N1CCC[C@H]1CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000831326693 603362168 /nfs/dbraw/zinc/36/21/68/603362168.db2.gz LKAWNASOIAEKJQ-KRWDZBQOSA-N -1 1 363.433 2.439 20 0 FEADMM Cc1nc([C@H]2CN(C(=O)Nc3ccc([C@@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830678793 603456851 /nfs/dbraw/zinc/45/68/51/603456851.db2.gz QZPBSHZJUKDXKP-QMTHXVAHSA-N -1 1 374.401 2.047 20 0 FEADMM O=C([O-])N[C@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)Cc1ccccc1 ZINC000832093009 603549960 /nfs/dbraw/zinc/54/99/60/603549960.db2.gz MCPLGDKMFJYJFY-INIZCTEOSA-N -1 1 356.426 2.385 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000823618336 603552759 /nfs/dbraw/zinc/55/27/59/603552759.db2.gz VNGYNUBUBXZMEW-UHFFFAOYSA-N -1 1 374.441 2.190 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000829604935 603559151 /nfs/dbraw/zinc/55/91/51/603559151.db2.gz SXIZZLVBVGJBMT-INIZCTEOSA-N -1 1 358.398 2.133 20 0 FEADMM C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-])N1CCc2ccccc2C1 ZINC000824939821 603682616 /nfs/dbraw/zinc/68/26/16/603682616.db2.gz PUMSVEOHASBDGK-UWWQBHOKSA-N -1 1 374.485 2.169 20 0 FEADMM CC1(C)CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824801468 607645128 /nfs/dbraw/zinc/64/51/28/607645128.db2.gz FWWDEESFAOLVNC-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM CC1(C)CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824801468 607645130 /nfs/dbraw/zinc/64/51/30/607645130.db2.gz FWWDEESFAOLVNC-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000826211588 607645802 /nfs/dbraw/zinc/64/58/02/607645802.db2.gz LSQKYANXMZXXMN-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000826211588 607645803 /nfs/dbraw/zinc/64/58/03/607645803.db2.gz LSQKYANXMZXXMN-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM C[C@@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824844381 607646781 /nfs/dbraw/zinc/64/67/81/607646781.db2.gz WUEIZBDFDMYLBQ-RDJZCZTQSA-N -1 1 373.413 2.014 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])ccc1F ZINC000828042617 603803465 /nfs/dbraw/zinc/80/34/65/603803465.db2.gz KCGCJEUASULQHE-HNNXBMFYSA-N -1 1 366.437 2.171 20 0 FEADMM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1cccc(F)c1)OCO2 ZINC000832828774 603889314 /nfs/dbraw/zinc/88/93/14/603889314.db2.gz LLWIWEJIMXINOA-UHFFFAOYSA-N -1 1 354.315 2.445 20 0 FEADMM CN(C[C@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1)C(=O)[O-] ZINC000828260318 603964610 /nfs/dbraw/zinc/96/46/10/603964610.db2.gz RRVLDMFPHKEQLA-DOMZBBRYSA-N -1 1 351.834 2.377 20 0 FEADMM CN(C[C@@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1)C(=O)[O-] ZINC000828260327 603964659 /nfs/dbraw/zinc/96/46/59/603964659.db2.gz RRVLDMFPHKEQLA-WFASDCNBSA-N -1 1 351.834 2.377 20 0 FEADMM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCN1Cc1ccccc1)CC2 ZINC000831284491 604028544 /nfs/dbraw/zinc/02/85/44/604028544.db2.gz WIXVGJVBWVUKQT-FGTMMUONSA-N -1 1 357.454 2.394 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1)c1ccco1 ZINC000827034637 604072946 /nfs/dbraw/zinc/07/29/46/604072946.db2.gz CNUZMWBKMBARSD-KGLIPLIRSA-N -1 1 352.435 2.056 20 0 FEADMM O=C([O-])NC[C@H]1CCCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000832572587 604079476 /nfs/dbraw/zinc/07/94/76/604079476.db2.gz FEEUEVKURQEGNS-MRXNPFEDSA-N -1 1 357.410 2.442 20 0 FEADMM CN(CCNC(=O)NC1CCC(NC(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000828323668 604140161 /nfs/dbraw/zinc/14/01/61/604140161.db2.gz BEUNSTFATADWOE-UHFFFAOYSA-N -1 1 366.437 2.136 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)nc1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493631 607677461 /nfs/dbraw/zinc/67/74/61/607677461.db2.gz VACHPINOHRWBSX-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM Cc1ccc(CNC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1F ZINC000830314121 604236348 /nfs/dbraw/zinc/23/63/48/604236348.db2.gz VWHTXTHLSIEABG-DZGCQCFKSA-N -1 1 351.422 2.118 20 0 FEADMM C[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824566405 604356822 /nfs/dbraw/zinc/35/68/22/604356822.db2.gz ZRJQOUZTHKWAFR-QZWWFDLISA-N -1 1 351.491 2.488 20 0 FEADMM COc1cc(OC)cc([C@H](OC(=O)[C@@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832067497 604600263 /nfs/dbraw/zinc/60/02/63/604600263.db2.gz QQWXIDLOVWNPOM-CJNGLKHVSA-N -1 1 360.366 2.216 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)ccc1C(=O)[O-] ZINC000832904240 604622721 /nfs/dbraw/zinc/62/27/21/604622721.db2.gz BFDFYXBDJXLEFQ-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-])N1CCCC[C@H]1C ZINC000833614333 604683919 /nfs/dbraw/zinc/68/39/19/604683919.db2.gz GHBPKNIKLGBRPQ-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM Cc1cnn(CC2CCN(CC(=O)N(C)c3ccccc3C(=O)[O-])CC2)c1 ZINC000832987021 604756994 /nfs/dbraw/zinc/75/69/94/604756994.db2.gz NTGWHOJSOWFFEG-UHFFFAOYSA-N -1 1 370.453 2.265 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NCC[C@@H](C)NC(=O)[O-])n2)cc1 ZINC000830161295 604803185 /nfs/dbraw/zinc/80/31/85/604803185.db2.gz XVJRQDLSRPPSNB-LLVKDONJSA-N -1 1 363.443 2.035 20 0 FEADMM CC[C@]1(C(C)C)NC(=O)N(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833645522 604868724 /nfs/dbraw/zinc/86/87/24/604868724.db2.gz HQLTWJOOXKCLIE-FZKQIMNGSA-N -1 1 353.463 2.123 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000833420968 604940677 /nfs/dbraw/zinc/94/06/77/604940677.db2.gz DVMBOAJUEHXCTB-NSHDSACASA-N -1 1 360.414 2.030 20 0 FEADMM C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000828123157 604981725 /nfs/dbraw/zinc/98/17/25/604981725.db2.gz UKZSTMVDLQRFBN-DYVFJYSZSA-N -1 1 365.817 2.004 20 0 FEADMM O=C([O-])[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccnc1 ZINC000833158912 604996632 /nfs/dbraw/zinc/99/66/32/604996632.db2.gz OTAKVANDLVVMAQ-DLBZAZTESA-N -1 1 355.394 2.115 20 0 FEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(Cl)c1 ZINC000833700511 605008303 /nfs/dbraw/zinc/00/83/03/605008303.db2.gz KVWUVMPSCJGASV-UHFFFAOYSA-N -1 1 372.786 2.100 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832891389 605012575 /nfs/dbraw/zinc/01/25/75/605012575.db2.gz SNKOAWKDLIGHRS-INIZCTEOSA-N -1 1 360.458 2.218 20 0 FEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833612569 605026486 /nfs/dbraw/zinc/02/64/86/605026486.db2.gz VGSRCDAXYGWHNX-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1cccc(Cl)c1 ZINC000833626411 605044116 /nfs/dbraw/zinc/04/41/16/605044116.db2.gz QUFAGCFVQAEZEC-CYBMUJFWSA-N -1 1 353.850 2.073 20 0 FEADMM CN(CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)[C@H]1CCSC1 ZINC000833690695 605051316 /nfs/dbraw/zinc/05/13/16/605051316.db2.gz AWGRNQPJXXRAOF-ZDUSSCGKSA-N -1 1 372.437 2.205 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000833626808 605053450 /nfs/dbraw/zinc/05/34/50/605053450.db2.gz RJKWDCDABKRKCX-BFYDXBDKSA-N -1 1 369.506 2.018 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000833627678 605056478 /nfs/dbraw/zinc/05/64/78/605056478.db2.gz YSAQTPXJAGIFKU-INIZCTEOSA-N -1 1 359.470 2.200 20 0 FEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c2c(n1)onc2C(C)C ZINC000833742594 605097976 /nfs/dbraw/zinc/09/79/76/605097976.db2.gz QJUGQKPWFWLCMZ-ZDUSSCGKSA-N -1 1 374.441 2.276 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833540988 605104037 /nfs/dbraw/zinc/10/40/37/605104037.db2.gz OZNALWCJDFILHU-CHWSQXEVSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833540995 605104326 /nfs/dbraw/zinc/10/43/26/605104326.db2.gz OZNALWCJDFILHU-STQMWFEESA-N -1 1 354.834 2.115 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C[C@@H]1C ZINC000833655160 605161652 /nfs/dbraw/zinc/16/16/52/605161652.db2.gz AOPOGILUGKYPHW-RYUDHWBXSA-N -1 1 363.414 2.118 20 0 FEADMM C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)[C@@H](C)CN1Cc1ccccc1 ZINC000833624645 605173529 /nfs/dbraw/zinc/17/35/29/605173529.db2.gz UHKOSNGCIVIVAX-SOLBZPMBSA-N -1 1 374.485 2.433 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000833629233 605198378 /nfs/dbraw/zinc/19/83/78/605198378.db2.gz SPIVTTRPLGKJFG-NSHDSACASA-N -1 1 374.268 2.413 20 0 FEADMM COCCN1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)C[C@H]1C ZINC000833724579 605205161 /nfs/dbraw/zinc/20/51/61/605205161.db2.gz OFHXJIOAYFQQHR-DOMZBBRYSA-N -1 1 371.275 2.227 20 0 FEADMM CC(=O)N1CC[C@H](CN(C)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833390090 605217030 /nfs/dbraw/zinc/21/70/30/605217030.db2.gz IMGLFHORYWJOHQ-CQSZACIVSA-N -1 1 357.410 2.340 20 0 FEADMM C[C@H]1COc2ccccc2CN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000833630723 605224729 /nfs/dbraw/zinc/22/47/29/605224729.db2.gz AVJSTEUHWHLNQH-OLWAXZHHSA-N -1 1 362.451 2.161 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCN1CCC(=O)[O-] ZINC000833618446 605251779 /nfs/dbraw/zinc/25/17/79/605251779.db2.gz OFNJDIWGYQQTAT-KWCYVHTRSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCN1CCC(=O)[O-] ZINC000833618212 605256202 /nfs/dbraw/zinc/25/62/02/605256202.db2.gz LZHDPYAXHVVMQE-WQVCFCJDSA-N -1 1 350.846 2.451 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCc2c1cccc2Cl ZINC000833618555 605268274 /nfs/dbraw/zinc/26/82/74/605268274.db2.gz CNVJLRGFLJWXOI-WFASDCNBSA-N -1 1 350.846 2.377 20 0 FEADMM C[C@H]1CN(C(=O)/C=C/c2nc3ccccc3s2)CCN1CCC(=O)[O-] ZINC000833620225 605276692 /nfs/dbraw/zinc/27/66/92/605276692.db2.gz VTJMRPMGDOTQKO-YBJDMEARSA-N -1 1 359.451 2.317 20 0 FEADMM CC(C)n1nccc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000824534824 605358876 /nfs/dbraw/zinc/35/88/76/605358876.db2.gz QJDKQSMOUONFBW-UHFFFAOYSA-N -1 1 369.385 2.269 20 0 FEADMM CC(C)n1nccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000824534824 605358880 /nfs/dbraw/zinc/35/88/80/605358880.db2.gz QJDKQSMOUONFBW-UHFFFAOYSA-N -1 1 369.385 2.269 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC([C@H]2CCOC2)CC1 ZINC000833404111 605401521 /nfs/dbraw/zinc/40/15/21/605401521.db2.gz GMDASBIHKJIBPG-KSSFIOAISA-N -1 1 360.454 2.138 20 0 FEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000833682255 605425665 /nfs/dbraw/zinc/42/56/65/605425665.db2.gz GTNKGCPBARCMGB-UHFFFAOYSA-N -1 1 358.460 2.083 20 0 FEADMM O=C([O-])NCCc1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000834245725 605426476 /nfs/dbraw/zinc/42/64/76/605426476.db2.gz RXUVKLKLFHEXPC-UHFFFAOYSA-N -1 1 365.393 2.212 20 0 FEADMM C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833788570 605445253 /nfs/dbraw/zinc/44/52/53/605445253.db2.gz AVRWJLHVYIPDFX-WVWOOGAGSA-N -1 1 366.849 2.430 20 0 FEADMM O=C([O-])N1CC(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)C1 ZINC000834008387 605520763 /nfs/dbraw/zinc/52/07/63/605520763.db2.gz XISCYDZDZVLKIG-UHFFFAOYSA-N -1 1 374.441 2.049 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000825823907 605560050 /nfs/dbraw/zinc/56/00/50/605560050.db2.gz OZHBSUMFHIBHLZ-BBRMVZONSA-N -1 1 366.437 2.088 20 0 FEADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000825823911 605560372 /nfs/dbraw/zinc/56/03/72/605560372.db2.gz OZHBSUMFHIBHLZ-XJKSGUPXSA-N -1 1 366.437 2.088 20 0 FEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000834241998 605566105 /nfs/dbraw/zinc/56/61/05/605566105.db2.gz VYKQCOKHNVFLPX-GFCCVEGCSA-N -1 1 357.813 2.075 20 0 FEADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000833919439 605578458 /nfs/dbraw/zinc/57/84/58/605578458.db2.gz KDGPLRSSHYXGQT-HNNXBMFYSA-N -1 1 366.462 2.026 20 0 FEADMM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC000831407374 605579409 /nfs/dbraw/zinc/57/94/09/605579409.db2.gz FQSHKFKUUDDJFT-KGLIPLIRSA-N -1 1 367.471 2.018 20 0 FEADMM CN(C)[C@H](CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])c1cccc(F)c1 ZINC000827994317 605596456 /nfs/dbraw/zinc/59/64/56/605596456.db2.gz KIHFMHJLIXEMNM-HUUCEWRRSA-N -1 1 369.462 2.030 20 0 FEADMM CN(C)[C@@H](CNC(=O)C[C@H]1CSCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000827994885 605616855 /nfs/dbraw/zinc/61/68/55/605616855.db2.gz OJYRZBCUPCGABD-GJZGRUSLSA-N -1 1 369.462 2.030 20 0 FEADMM O=C([O-])Nc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000834259862 605635456 /nfs/dbraw/zinc/63/54/56/605635456.db2.gz HIYVLQINTJPTKA-MRXNPFEDSA-N -1 1 354.410 2.452 20 0 FEADMM O=C([O-])Nc1ccccc1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000740040420 605689314 /nfs/dbraw/zinc/68/93/14/605689314.db2.gz FOQLNSHOOVSDDQ-UHFFFAOYSA-N -1 1 361.442 2.351 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)n[nH]1 ZINC000830031473 605699142 /nfs/dbraw/zinc/69/91/42/605699142.db2.gz VQULTWBZQPMROP-DUVNUKRYSA-N -1 1 363.462 2.213 20 0 FEADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000831282334 605773353 /nfs/dbraw/zinc/77/33/53/605773353.db2.gz CMSLLJOPEJIYOM-QGZVFWFLSA-N -1 1 354.410 2.393 20 0 FEADMM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000833806243 605797694 /nfs/dbraw/zinc/79/76/94/605797694.db2.gz CYOFGJZXZGSPIU-RISCZKNCSA-N -1 1 356.854 2.146 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCc2ccccc2C1 ZINC000832234552 605938390 /nfs/dbraw/zinc/93/83/90/605938390.db2.gz CJEXRQOZKXKFQZ-AYHJJNSGSA-N -1 1 357.454 2.224 20 0 FEADMM C[C@H](C[C@@H]1CCCCCN1C(=O)[O-])NCc1nnnn1-c1ccccc1 ZINC000833803137 605941946 /nfs/dbraw/zinc/94/19/46/605941946.db2.gz HQVMNSRYMUIPPV-ZBFHGGJFSA-N -1 1 358.446 2.453 20 0 FEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000834092208 605976132 /nfs/dbraw/zinc/97/61/32/605976132.db2.gz BYRYPZLTUYCIHQ-KSZLIROESA-N -1 1 372.469 2.187 20 0 FEADMM O=C([O-])N1CC[C@@H](CCN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000834076593 605983615 /nfs/dbraw/zinc/98/36/15/605983615.db2.gz ZTWOMIOLZQMFTO-RISCZKNCSA-N -1 1 356.419 2.024 20 0 FEADMM O=C([O-])NCCOc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000834245934 606081320 /nfs/dbraw/zinc/08/13/20/606081320.db2.gz RSNGRYOVANMRRN-UHFFFAOYSA-N -1 1 354.359 2.273 20 0 FEADMM CCCCC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821050755 606137803 /nfs/dbraw/zinc/13/78/03/606137803.db2.gz UCCKGRXXNOQOQZ-SNVBAGLBSA-N -1 1 351.432 2.170 20 0 FEADMM CCCCC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821050755 606137804 /nfs/dbraw/zinc/13/78/04/606137804.db2.gz UCCKGRXXNOQOQZ-SNVBAGLBSA-N -1 1 351.432 2.170 20 0 FEADMM Cn1cc(C[C@@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)cn1 ZINC000822674399 606138164 /nfs/dbraw/zinc/13/81/64/606138164.db2.gz RXOPUBZTTFLYLB-ZDUSSCGKSA-N -1 1 360.425 2.217 20 0 FEADMM Cn1cc(C[C@@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)cn1 ZINC000822674399 606138166 /nfs/dbraw/zinc/13/81/66/606138166.db2.gz RXOPUBZTTFLYLB-ZDUSSCGKSA-N -1 1 360.425 2.217 20 0 FEADMM CCc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC000821480422 606154821 /nfs/dbraw/zinc/15/48/21/606154821.db2.gz BZTXBLZGRRJCAF-GFCCVEGCSA-N -1 1 356.390 2.125 20 0 FEADMM CCc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC000821480422 606154822 /nfs/dbraw/zinc/15/48/22/606154822.db2.gz BZTXBLZGRRJCAF-GFCCVEGCSA-N -1 1 356.390 2.125 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820669200 606154988 /nfs/dbraw/zinc/15/49/88/606154988.db2.gz ZRWSJPRKXLGZIG-DGCLKSJQSA-N -1 1 352.402 2.010 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820669200 606154990 /nfs/dbraw/zinc/15/49/90/606154990.db2.gz ZRWSJPRKXLGZIG-DGCLKSJQSA-N -1 1 352.402 2.010 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000820380697 606156402 /nfs/dbraw/zinc/15/64/02/606156402.db2.gz YVKLHLUKYMGHIF-ZETCQYMHSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000820380697 606156404 /nfs/dbraw/zinc/15/64/04/606156404.db2.gz YVKLHLUKYMGHIF-ZETCQYMHSA-N -1 1 364.772 2.275 20 0 FEADMM Cc1ccc([C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822229234 606167097 /nfs/dbraw/zinc/16/70/97/606167097.db2.gz PRFUYUMCRUTUAC-LBPRGKRZSA-N -1 1 354.418 2.442 20 0 FEADMM Cc1ccc([C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)c1 ZINC000822229234 606167099 /nfs/dbraw/zinc/16/70/99/606167099.db2.gz PRFUYUMCRUTUAC-LBPRGKRZSA-N -1 1 354.418 2.442 20 0 FEADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820915208 606168005 /nfs/dbraw/zinc/16/80/05/606168005.db2.gz TVSUKICBSDPATQ-AWEZNQCLSA-N -1 1 368.445 2.394 20 0 FEADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820915208 606168007 /nfs/dbraw/zinc/16/80/07/606168007.db2.gz TVSUKICBSDPATQ-AWEZNQCLSA-N -1 1 368.445 2.394 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000820380539 606170371 /nfs/dbraw/zinc/17/03/71/606170371.db2.gz WAIRGHLZDIXIJJ-ZETCQYMHSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000820380539 606170373 /nfs/dbraw/zinc/17/03/73/606170373.db2.gz WAIRGHLZDIXIJJ-ZETCQYMHSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820716317 606171805 /nfs/dbraw/zinc/17/18/05/606171805.db2.gz IRTGRFBDMAEUGS-YGRLFVJLSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820716317 606171806 /nfs/dbraw/zinc/17/18/06/606171806.db2.gz IRTGRFBDMAEUGS-YGRLFVJLSA-N -1 1 370.392 2.354 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000822609850 606173624 /nfs/dbraw/zinc/17/36/24/606173624.db2.gz XAETTXOKMIFZCC-CQSZACIVSA-N -1 1 370.392 2.402 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000822609850 606173626 /nfs/dbraw/zinc/17/36/26/606173626.db2.gz XAETTXOKMIFZCC-CQSZACIVSA-N -1 1 370.392 2.402 20 0 FEADMM COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821639449 606188609 /nfs/dbraw/zinc/18/86/09/606188609.db2.gz ZBSUIKJPCQJZRV-QMTHXVAHSA-N -1 1 371.422 2.208 20 0 FEADMM COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821639449 606188611 /nfs/dbraw/zinc/18/86/11/606188611.db2.gz ZBSUIKJPCQJZRV-QMTHXVAHSA-N -1 1 371.422 2.208 20 0 FEADMM Cc1cc(C)c(NC(=O)CN(C)c2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000822194045 606213831 /nfs/dbraw/zinc/21/38/31/606213831.db2.gz GSONAZMIURBABW-UHFFFAOYSA-N -1 1 351.414 2.262 20 0 FEADMM Cc1cc(C)c(NC(=O)CN(C)c2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000822194045 606213833 /nfs/dbraw/zinc/21/38/33/606213833.db2.gz GSONAZMIURBABW-UHFFFAOYSA-N -1 1 351.414 2.262 20 0 FEADMM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821864138 606292973 /nfs/dbraw/zinc/29/29/73/606292973.db2.gz UFNOVVTYELGRGK-KBPBESRZSA-N -1 1 351.366 2.323 20 0 FEADMM Cc1noc(C)c1CSCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822524035 606294494 /nfs/dbraw/zinc/29/44/94/606294494.db2.gz WWUKNNQCLLLZPS-UHFFFAOYSA-N -1 1 360.399 2.049 20 0 FEADMM CCCn1nccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810151685 674534863 /nfs/dbraw/zinc/53/48/63/674534863.db2.gz FCDGEOUJXXHYJC-NSHDSACASA-N -1 1 361.368 2.216 20 0 FEADMM COc1ncccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810162002 674535287 /nfs/dbraw/zinc/53/52/87/674535287.db2.gz VCDDEMMSGTXXDW-JTQLQIEISA-N -1 1 360.336 2.013 20 0 FEADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000559304144 674536760 /nfs/dbraw/zinc/53/67/60/674536760.db2.gz GBRSWMBQSACVBA-UHFFFAOYSA-N -1 1 367.354 2.268 20 0 FEADMM O=C1Nc2ccccc2[C@@H]1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823546748 606442460 /nfs/dbraw/zinc/44/24/60/606442460.db2.gz FLWUQPJUAVXFIT-JTQLQIEISA-N -1 1 355.789 2.453 20 0 FEADMM O=C1Nc2ccccc2[C@@H]1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823546748 606442462 /nfs/dbraw/zinc/44/24/62/606442462.db2.gz FLWUQPJUAVXFIT-JTQLQIEISA-N -1 1 355.789 2.453 20 0 FEADMM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175351 606525424 /nfs/dbraw/zinc/52/54/24/606525424.db2.gz GKDCKUCDTUFYRQ-GFCCVEGCSA-N -1 1 354.439 2.185 20 0 FEADMM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175351 606525425 /nfs/dbraw/zinc/52/54/25/606525425.db2.gz GKDCKUCDTUFYRQ-GFCCVEGCSA-N -1 1 354.439 2.185 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nnc2n1CCCCC2 ZINC000820919305 606545674 /nfs/dbraw/zinc/54/56/74/606545674.db2.gz BIKGRLOQQHQSPN-SNVBAGLBSA-N -1 1 372.458 2.127 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nnc2n1CCCCC2 ZINC000820919305 606545675 /nfs/dbraw/zinc/54/56/75/606545675.db2.gz BIKGRLOQQHQSPN-SNVBAGLBSA-N -1 1 372.458 2.127 20 0 FEADMM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822486251 606553822 /nfs/dbraw/zinc/55/38/22/606553822.db2.gz DDALWKIZHBMRKR-LLVKDONJSA-N -1 1 357.443 2.256 20 0 FEADMM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822486251 606553823 /nfs/dbraw/zinc/55/38/23/606553823.db2.gz DDALWKIZHBMRKR-LLVKDONJSA-N -1 1 357.443 2.256 20 0 FEADMM CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000821481825 606567917 /nfs/dbraw/zinc/56/79/17/606567917.db2.gz OVYPDGSKGGXSLQ-NSHDSACASA-N -1 1 359.411 2.297 20 0 FEADMM CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000821481825 606567920 /nfs/dbraw/zinc/56/79/20/606567920.db2.gz OVYPDGSKGGXSLQ-NSHDSACASA-N -1 1 359.411 2.297 20 0 FEADMM COc1ccccc1C1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000821882552 606650335 /nfs/dbraw/zinc/65/03/35/606650335.db2.gz DKIJJMQNJKODNZ-UHFFFAOYSA-N -1 1 351.366 2.045 20 0 FEADMM COc1ccccc1C1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000821882552 606650336 /nfs/dbraw/zinc/65/03/36/606650336.db2.gz DKIJJMQNJKODNZ-UHFFFAOYSA-N -1 1 351.366 2.045 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000823123049 606655235 /nfs/dbraw/zinc/65/52/35/606655235.db2.gz LVMOCFZSHGARES-UHFFFAOYSA-N -1 1 361.365 2.494 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000823123049 606655236 /nfs/dbraw/zinc/65/52/36/606655236.db2.gz LVMOCFZSHGARES-UHFFFAOYSA-N -1 1 361.365 2.494 20 0 FEADMM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000559498214 674545516 /nfs/dbraw/zinc/54/55/16/674545516.db2.gz UFOYIVXLSZGMEF-UHFFFAOYSA-N -1 1 363.439 2.257 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2ccccc21 ZINC000823606503 606764142 /nfs/dbraw/zinc/76/41/42/606764142.db2.gz JFFKZRBFLDPBMB-UHFFFAOYSA-N -1 1 359.386 2.147 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC2(CC2)c2ccccc21 ZINC000823601121 606765941 /nfs/dbraw/zinc/76/59/41/606765941.db2.gz RYSVFQGESMUPFO-UHFFFAOYSA-N -1 1 371.397 2.246 20 0 FEADMM CCC1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCCC1 ZINC000820962399 606768958 /nfs/dbraw/zinc/76/89/58/606768958.db2.gz PUEDRXQFPLQAEE-UHFFFAOYSA-N -1 1 362.459 2.389 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000822153581 606779350 /nfs/dbraw/zinc/77/93/50/606779350.db2.gz NBQHUYZQGIYNNP-UHFFFAOYSA-N -1 1 373.442 2.357 20 0 FEADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC000821043232 606879289 /nfs/dbraw/zinc/87/92/89/606879289.db2.gz NFCCQTCIBBQDGU-NSHDSACASA-N -1 1 362.438 2.152 20 0 FEADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC000821043232 606879290 /nfs/dbraw/zinc/87/92/90/606879290.db2.gz NFCCQTCIBBQDGU-NSHDSACASA-N -1 1 362.438 2.152 20 0 FEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821040859 606895342 /nfs/dbraw/zinc/89/53/42/606895342.db2.gz TXAUMGZYAPKXHJ-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821040859 606895344 /nfs/dbraw/zinc/89/53/44/606895344.db2.gz TXAUMGZYAPKXHJ-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000810518195 674548707 /nfs/dbraw/zinc/54/87/07/674548707.db2.gz RUMOLNFAWNSZIS-KQPPXVQYSA-N -1 1 354.447 2.316 20 0 FEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000821510022 606937899 /nfs/dbraw/zinc/93/78/99/606937899.db2.gz SMOHGODORLNDCI-CYBMUJFWSA-N -1 1 369.454 2.430 20 0 FEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000821510022 606937900 /nfs/dbraw/zinc/93/79/00/606937900.db2.gz SMOHGODORLNDCI-CYBMUJFWSA-N -1 1 369.454 2.430 20 0 FEADMM COc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccc1OC(C)C ZINC000821703086 607104630 /nfs/dbraw/zinc/10/46/30/607104630.db2.gz NWXRPSXWAMLDGT-UHFFFAOYSA-N -1 1 360.399 2.371 20 0 FEADMM COc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccc1OC(C)C ZINC000821703086 607104632 /nfs/dbraw/zinc/10/46/32/607104632.db2.gz NWXRPSXWAMLDGT-UHFFFAOYSA-N -1 1 360.399 2.371 20 0 FEADMM COc1ccc(S[C@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821846517 607104757 /nfs/dbraw/zinc/10/47/57/607104757.db2.gz TXMXDRCYZCHZMW-MRVPVSSYSA-N -1 1 362.440 2.451 20 0 FEADMM COc1ccc(S[C@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821846517 607104758 /nfs/dbraw/zinc/10/47/58/607104758.db2.gz TXMXDRCYZCHZMW-MRVPVSSYSA-N -1 1 362.440 2.451 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000823380290 607108786 /nfs/dbraw/zinc/10/87/86/607108786.db2.gz VAMDVYNYVZVNHF-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000823380290 607108787 /nfs/dbraw/zinc/10/87/87/607108787.db2.gz VAMDVYNYVZVNHF-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM CSc1ccc(O[C@@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821983445 607109425 /nfs/dbraw/zinc/10/94/25/607109425.db2.gz HQIZCIXUIXTITM-QMMMGPOBSA-N -1 1 362.440 2.451 20 0 FEADMM CSc1ccc(O[C@@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821983445 607109426 /nfs/dbraw/zinc/10/94/26/607109426.db2.gz HQIZCIXUIXTITM-QMMMGPOBSA-N -1 1 362.440 2.451 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccn1Cc1cccs1 ZINC000823383726 607110583 /nfs/dbraw/zinc/11/05/83/607110583.db2.gz YJQSTDKMKPGFRO-UHFFFAOYSA-N -1 1 357.424 2.487 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccn1Cc1cccs1 ZINC000823383726 607110584 /nfs/dbraw/zinc/11/05/84/607110584.db2.gz YJQSTDKMKPGFRO-UHFFFAOYSA-N -1 1 357.424 2.487 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC000821015688 607117279 /nfs/dbraw/zinc/11/72/79/607117279.db2.gz SISDZHIWIQHLGD-JTQLQIEISA-N -1 1 361.431 2.294 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCC1=CCCC1 ZINC000826232614 607794877 /nfs/dbraw/zinc/79/48/77/607794877.db2.gz AGMFLNQCNZTUHP-UHFFFAOYSA-N -1 1 356.430 2.133 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492800 607816972 /nfs/dbraw/zinc/81/69/72/607816972.db2.gz DYUXTLVDYPMBKF-UHFFFAOYSA-N -1 1 368.378 2.323 20 0 FEADMM Cc1cc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)n(C(C)(C)C)n1 ZINC000826269985 607865215 /nfs/dbraw/zinc/86/52/15/607865215.db2.gz GGHIAWFSKAUPIU-UHFFFAOYSA-N -1 1 373.392 2.283 20 0 FEADMM Cc1cc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)n(C(C)(C)C)n1 ZINC000826269985 607865216 /nfs/dbraw/zinc/86/52/16/607865216.db2.gz GGHIAWFSKAUPIU-UHFFFAOYSA-N -1 1 373.392 2.283 20 0 FEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826211804 607867595 /nfs/dbraw/zinc/86/75/95/607867595.db2.gz VHXCCLAUZQCQRT-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826211804 607867596 /nfs/dbraw/zinc/86/75/96/607867596.db2.gz VHXCCLAUZQCQRT-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM Cc1ccc(C(=O)N2CCC(Nc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000826281795 607898229 /nfs/dbraw/zinc/89/82/29/607898229.db2.gz KFYIHBAPZQWEQX-UHFFFAOYSA-N -1 1 363.425 2.287 20 0 FEADMM Cc1ccc(C(=O)N2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000826281795 607898230 /nfs/dbraw/zinc/89/82/30/607898230.db2.gz KFYIHBAPZQWEQX-UHFFFAOYSA-N -1 1 363.425 2.287 20 0 FEADMM Oc1cccc([C@@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCO2)c1 ZINC000826511540 608015922 /nfs/dbraw/zinc/01/59/22/608015922.db2.gz UQKGTKIBPSFPFK-ZDUSSCGKSA-N -1 1 358.789 2.199 20 0 FEADMM Oc1cccc([C@@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCO2)c1 ZINC000826511540 608015923 /nfs/dbraw/zinc/01/59/23/608015923.db2.gz UQKGTKIBPSFPFK-ZDUSSCGKSA-N -1 1 358.789 2.199 20 0 FEADMM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825160189 608062598 /nfs/dbraw/zinc/06/25/98/608062598.db2.gz YDAACACBSJOUTD-KRWDZBQOSA-N -1 1 366.425 2.388 20 0 FEADMM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825160189 608062599 /nfs/dbraw/zinc/06/25/99/608062599.db2.gz YDAACACBSJOUTD-KRWDZBQOSA-N -1 1 366.425 2.388 20 0 FEADMM CC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)nc1C ZINC000824024377 608076830 /nfs/dbraw/zinc/07/68/30/608076830.db2.gz BUHHUPNOBIWQKE-UHFFFAOYSA-N -1 1 360.381 2.328 20 0 FEADMM CC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)nc1C ZINC000824024377 608076831 /nfs/dbraw/zinc/07/68/31/608076831.db2.gz BUHHUPNOBIWQKE-UHFFFAOYSA-N -1 1 360.381 2.328 20 0 FEADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824079627 608125371 /nfs/dbraw/zinc/12/53/71/608125371.db2.gz QMBCWXONRHJGEF-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824079628 608125581 /nfs/dbraw/zinc/12/55/81/608125581.db2.gz QMBCWXONRHJGEF-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM Brc1cc2cccnc2c(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000823827129 608147760 /nfs/dbraw/zinc/14/77/60/608147760.db2.gz UZKIWELEOPFIQK-UHFFFAOYSA-N -1 1 356.187 2.422 20 0 FEADMM Brc1cc2cccnc2c(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000823827129 608147762 /nfs/dbraw/zinc/14/77/62/608147762.db2.gz UZKIWELEOPFIQK-UHFFFAOYSA-N -1 1 356.187 2.422 20 0 FEADMM O=S(=O)(N[C@@H]1CC12CCCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488014 608156476 /nfs/dbraw/zinc/15/64/76/608156476.db2.gz GRNSKAZVWKCPJL-GFCCVEGCSA-N -1 1 351.407 2.007 20 0 FEADMM O=S(=O)(N[C@@H]1CC12CCCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488014 608156477 /nfs/dbraw/zinc/15/64/77/608156477.db2.gz GRNSKAZVWKCPJL-GFCCVEGCSA-N -1 1 351.407 2.007 20 0 FEADMM CN(CC(=O)N(C)C1CCCCC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825887288 608183882 /nfs/dbraw/zinc/18/38/82/608183882.db2.gz FKTCFZNMYCBSOV-UHFFFAOYSA-N -1 1 369.882 2.204 20 0 FEADMM CN(CC(=O)N(C)C1CCCCC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825887288 608183883 /nfs/dbraw/zinc/18/38/83/608183883.db2.gz FKTCFZNMYCBSOV-UHFFFAOYSA-N -1 1 369.882 2.204 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000824670521 608189969 /nfs/dbraw/zinc/18/99/69/608189969.db2.gz QIAMHEZXZZRGPI-LURJTMIESA-N -1 1 351.827 2.078 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000824670521 608189970 /nfs/dbraw/zinc/18/99/70/608189970.db2.gz QIAMHEZXZZRGPI-LURJTMIESA-N -1 1 351.827 2.078 20 0 FEADMM OCCCN(Cc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826509790 608191574 /nfs/dbraw/zinc/19/15/74/608191574.db2.gz JXHBBQXRHOOHSP-UHFFFAOYSA-N -1 1 350.835 2.366 20 0 FEADMM OCCCN(Cc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826509790 608191575 /nfs/dbraw/zinc/19/15/75/608191575.db2.gz JXHBBQXRHOOHSP-UHFFFAOYSA-N -1 1 350.835 2.366 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)C3(CCC3)C2)cc1-c1nn[n-]n1 ZINC000826229566 608202848 /nfs/dbraw/zinc/20/28/48/608202848.db2.gz JEQWBXBTHNTGKP-JTQLQIEISA-N -1 1 374.470 2.342 20 0 FEADMM CCCCCN(CCO)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825276352 608205403 /nfs/dbraw/zinc/20/54/03/608205403.db2.gz WZYBEDKTZDMRPH-UHFFFAOYSA-N -1 1 372.429 2.184 20 0 FEADMM CCCCCN(CCO)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825276352 608205404 /nfs/dbraw/zinc/20/54/04/608205404.db2.gz WZYBEDKTZDMRPH-UHFFFAOYSA-N -1 1 372.429 2.184 20 0 FEADMM C[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Cc1ccc(Cl)cc1 ZINC000824385050 608261432 /nfs/dbraw/zinc/26/14/32/608261432.db2.gz KMAKJAUCWWTLFG-JTQLQIEISA-N -1 1 359.821 2.461 20 0 FEADMM C[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC000824385050 608261433 /nfs/dbraw/zinc/26/14/33/608261433.db2.gz KMAKJAUCWWTLFG-JTQLQIEISA-N -1 1 359.821 2.461 20 0 FEADMM C[C@H]1CCC[C@@H](OCCCCCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824929753 608385361 /nfs/dbraw/zinc/38/53/61/608385361.db2.gz YMYLNFYUSXAAPG-QWHCGFSZSA-N -1 1 361.450 2.441 20 0 FEADMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824929751 608385629 /nfs/dbraw/zinc/38/56/29/608385629.db2.gz YMYLNFYUSXAAPG-CHWSQXEVSA-N -1 1 361.450 2.441 20 0 FEADMM Cn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccc(Cl)cc1 ZINC000826356354 608393986 /nfs/dbraw/zinc/39/39/86/608393986.db2.gz MOGVQRXLOPFSSY-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Cn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccc(Cl)cc1 ZINC000826356354 608393988 /nfs/dbraw/zinc/39/39/88/608393988.db2.gz MOGVQRXLOPFSSY-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Fc1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1Cl ZINC000826374288 608412410 /nfs/dbraw/zinc/41/24/10/608412410.db2.gz TWRMVTJFHWFKSD-ZDUSSCGKSA-N -1 1 361.768 2.027 20 0 FEADMM Fc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1Cl ZINC000826374288 608412411 /nfs/dbraw/zinc/41/24/11/608412411.db2.gz TWRMVTJFHWFKSD-ZDUSSCGKSA-N -1 1 361.768 2.027 20 0 FEADMM COc1ccc(C[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826191604 608422639 /nfs/dbraw/zinc/42/26/39/608422639.db2.gz KZEQSTUQJFEDLY-AWEZNQCLSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccc(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826191604 608422640 /nfs/dbraw/zinc/42/26/40/608422640.db2.gz KZEQSTUQJFEDLY-AWEZNQCLSA-N -1 1 351.414 2.124 20 0 FEADMM CCOc1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1O ZINC000825615986 608566785 /nfs/dbraw/zinc/56/67/85/608566785.db2.gz RTVUUQJTFINGAZ-GQCTYLIASA-N -1 1 367.365 2.123 20 0 FEADMM CCOc1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1O ZINC000825615986 608566787 /nfs/dbraw/zinc/56/67/87/608566787.db2.gz RTVUUQJTFINGAZ-GQCTYLIASA-N -1 1 367.365 2.123 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCC1(c2ccccc2)CCCCC1 ZINC000826425296 608893680 /nfs/dbraw/zinc/89/36/80/608893680.db2.gz XGMURQDCYNEXMQ-UHFFFAOYSA-N -1 1 365.441 2.082 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCC1(c2ccccc2)CCCCC1 ZINC000826425296 608893681 /nfs/dbraw/zinc/89/36/81/608893681.db2.gz XGMURQDCYNEXMQ-UHFFFAOYSA-N -1 1 365.441 2.082 20 0 FEADMM CSC[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826227806 609290483 /nfs/dbraw/zinc/29/04/83/609290483.db2.gz YEGYNTFFJCEDCH-VIFPVBQESA-N -1 1 361.406 2.129 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N(C)C2CCCCCC2)cc1-c1nn[n-]n1 ZINC000826229390 609296587 /nfs/dbraw/zinc/29/65/87/609296587.db2.gz CDLBUYRROQRPLR-UHFFFAOYSA-N -1 1 362.459 2.484 20 0 FEADMM Cc1n[nH]c(C)c1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826321485 609320094 /nfs/dbraw/zinc/32/00/94/609320094.db2.gz GNIRXPKJKZSPMR-UHFFFAOYSA-N -1 1 353.365 2.144 20 0 FEADMM CCOC(=O)[C@H]1CCC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825499678 609407406 /nfs/dbraw/zinc/40/74/06/609407406.db2.gz QZZLEPIAXDOSGL-QWRGUYRKSA-N -1 1 364.427 2.455 20 0 FEADMM CCOC(=O)[C@H]1CCC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825499678 609407409 /nfs/dbraw/zinc/40/74/09/609407409.db2.gz QZZLEPIAXDOSGL-QWRGUYRKSA-N -1 1 364.427 2.455 20 0 FEADMM CCOC(=O)[C@H](CC(C)C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000825485662 609448587 /nfs/dbraw/zinc/44/85/87/609448587.db2.gz IAOVVVOUMNQPFR-NSHDSACASA-N -1 1 350.448 2.343 20 0 FEADMM CC[C@@H](C)n1ncc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1C1CC1 ZINC000825083019 609468189 /nfs/dbraw/zinc/46/81/89/609468189.db2.gz WRNUSZXORYEMIY-SECBINFHSA-N -1 1 370.417 2.389 20 0 FEADMM CC[C@@H](C)n1ncc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1C1CC1 ZINC000825083019 609468191 /nfs/dbraw/zinc/46/81/91/609468191.db2.gz WRNUSZXORYEMIY-SECBINFHSA-N -1 1 370.417 2.389 20 0 FEADMM Cc1onc(CC(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)c1-c1nnn[n-]1 ZINC000826343727 609469889 /nfs/dbraw/zinc/46/98/89/609469889.db2.gz LHQCAIWSKCNERU-NXEZZACHSA-N -1 1 370.388 2.379 20 0 FEADMM Cc1onc(CC(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)c1-c1nn[n-]n1 ZINC000826343727 609469891 /nfs/dbraw/zinc/46/98/91/609469891.db2.gz LHQCAIWSKCNERU-NXEZZACHSA-N -1 1 370.388 2.379 20 0 FEADMM Cc1cc(Nc2ccc(-c3nn[n-]n3)nn2)cnc1N1CCCC[C@@H]1C ZINC000826271479 609563931 /nfs/dbraw/zinc/56/39/31/609563931.db2.gz SUTYKSIRQVFLKF-LBPRGKRZSA-N -1 1 351.418 2.483 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(-n2cnc(N(C)C)n2)c1 ZINC000559962371 674561794 /nfs/dbraw/zinc/56/17/94/674561794.db2.gz QZPFEPQRPAXULW-UHFFFAOYSA-N -1 1 357.439 2.443 20 0 FEADMM COC(=O)c1nc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)sc1C ZINC000811856269 674633801 /nfs/dbraw/zinc/63/38/01/674633801.db2.gz MSGWQECIYQVSPV-VIFPVBQESA-N -1 1 365.377 2.133 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)sc1C ZINC000561107486 674637800 /nfs/dbraw/zinc/63/78/00/674637800.db2.gz SFESMMJEQZQACG-CMPLNLGQSA-N -1 1 374.509 2.373 20 0 FEADMM O=C([N-]OC1CCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000812790350 674698499 /nfs/dbraw/zinc/69/84/99/674698499.db2.gz OFJPDGYSKYJPQZ-JTQLQIEISA-N -1 1 353.216 2.402 20 0 FEADMM CC(C)OCCO[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000812804117 674699521 /nfs/dbraw/zinc/69/95/21/674699521.db2.gz BCZWTLOLPQGNKC-CQSZACIVSA-N -1 1 354.834 2.161 20 0 FEADMM COc1ccc(Cl)cc1N1C[C@H](C(=O)[N-]OCCOC(C)C)CC1=O ZINC000812806031 674700032 /nfs/dbraw/zinc/70/00/32/674700032.db2.gz LFSQUTMJDJJXFN-GFCCVEGCSA-N -1 1 370.833 2.174 20 0 FEADMM CO[C@@](C)(COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000813194162 674726649 /nfs/dbraw/zinc/72/66/49/674726649.db2.gz AQMDQLCJXOMBNF-INIZCTEOSA-N -1 1 359.444 2.328 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Cl)ncc1Br ZINC000813457177 674747376 /nfs/dbraw/zinc/74/73/76/674747376.db2.gz NOLCKOAGUVXHIM-UHFFFAOYSA-N -1 1 371.626 2.210 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cnc([C@H](C)O)s1 ZINC000813515375 674754690 /nfs/dbraw/zinc/75/46/90/674754690.db2.gz BIMBKKSTMWLPAD-VIFPVBQESA-N -1 1 367.452 2.499 20 0 FEADMM CCCCC[C@@H](C)NC(CC)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814350712 674833080 /nfs/dbraw/zinc/83/30/80/674833080.db2.gz QNZIXRHDFYOYJE-VEOJIXDASA-N -1 1 355.504 2.099 20 0 FEADMM Cc1oc(C)c(S(=O)(=O)NCc2nc3ccc(C)cc3[nH]2)c1C(=O)[O-] ZINC000563071505 674844593 /nfs/dbraw/zinc/84/45/93/674844593.db2.gz CHTHDVIZFIUZSP-UHFFFAOYSA-N -1 1 363.395 2.258 20 0 FEADMM Cn1c(Cl)ncc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000815068669 674910427 /nfs/dbraw/zinc/91/04/27/674910427.db2.gz YLOQHJCUAVCWSP-ZCFIWIBFSA-N -1 1 360.770 2.112 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(C)(C)O ZINC000815081750 674913872 /nfs/dbraw/zinc/91/38/72/674913872.db2.gz NCPMFFRGCGFORI-LBPRGKRZSA-N -1 1 367.826 2.094 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000564656870 675048794 /nfs/dbraw/zinc/04/87/94/675048794.db2.gz XXEBFNXRPKOSAW-DYEKYZERSA-N -1 1 350.415 2.073 20 0 FEADMM CC(F)(F)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564707011 675053680 /nfs/dbraw/zinc/05/36/80/675053680.db2.gz XBRAKONGDGSHPU-UHFFFAOYSA-N -1 1 361.197 2.043 20 0 FEADMM O=C(Cc1ccccc1O[C@@H]1CCOC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000564775722 675060287 /nfs/dbraw/zinc/06/02/87/675060287.db2.gz GFLBVDXZWAFLNZ-SNVBAGLBSA-N -1 1 356.304 2.172 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cnc(Br)cn3)cnc2n1 ZINC000816529835 675062967 /nfs/dbraw/zinc/06/29/67/675062967.db2.gz JPYJPOYEKNKAOV-UHFFFAOYSA-N -1 1 374.198 2.126 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cnc(Br)cn1)c2=O ZINC000816529835 675062968 /nfs/dbraw/zinc/06/29/68/675062968.db2.gz JPYJPOYEKNKAOV-UHFFFAOYSA-N -1 1 374.198 2.126 20 0 FEADMM CCC(Nc1cccc(Cl)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009771366 669984860 /nfs/dbraw/zinc/98/48/60/669984860.db2.gz AESYFNKBUQFRKA-SEYXRHQNSA-N -1 1 367.858 2.306 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(Cl)ccc2N)cc1 ZINC000016246671 670017824 /nfs/dbraw/zinc/01/78/24/670017824.db2.gz FSXUNCLAMLJCBE-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000018007741 670025616 /nfs/dbraw/zinc/02/56/16/670025616.db2.gz 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670130740 /nfs/dbraw/zinc/13/07/40/670130740.db2.gz HHEOWUUOSKTADN-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041069830 670142457 /nfs/dbraw/zinc/14/24/57/670142457.db2.gz MVKBUIBOTDIBBX-VIFPVBQESA-N -1 1 371.684 2.183 20 0 FEADMM CSc1nc(C)c(CCC(=O)[C@H](C#N)c2cc(C)nc(C)n2)c(=O)[n-]1 ZINC000041561458 670147223 /nfs/dbraw/zinc/14/72/23/670147223.db2.gz LWHPLAIDOIGDJW-CYBMUJFWSA-N -1 1 357.439 2.016 20 0 FEADMM Cc1nnc(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)o1 ZINC000042126981 670157522 /nfs/dbraw/zinc/15/75/22/670157522.db2.gz NBFUXFDPUUWPKY-UHFFFAOYSA-N -1 1 358.427 2.314 20 0 FEADMM CC[C@H]1CCCCN1C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000042776297 670168526 /nfs/dbraw/zinc/16/85/26/670168526.db2.gz CDSJCDOIQKZBLI-NSHDSACASA-N -1 1 374.484 2.068 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000047328590 670239817 /nfs/dbraw/zinc/23/98/17/670239817.db2.gz DIKYWHMPZVQYPP-UHFFFAOYSA-N -1 1 364.354 2.209 20 0 FEADMM 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Nc1nc([O-])c(CC(=O)N(CCc2cccc(F)c2)C2CCCC2)s1 ZINC000152657042 672185782 /nfs/dbraw/zinc/18/57/82/672185782.db2.gz JEAMMVFAFZVGMM-HNNXBMFYSA-N -1 1 363.458 2.486 20 0 FEADMM C[C@](N)(C(=O)NCCCCCC(=O)[O-])c1ccc(Br)cc1 ZINC000650779810 677389235 /nfs/dbraw/zinc/38/92/35/677389235.db2.gz NSAZROIPBGREHH-OAHLLOKOSA-N -1 1 357.248 2.384 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1nccs1 ZINC000584792910 672216393 /nfs/dbraw/zinc/21/63/93/672216393.db2.gz UGJZXIDQEPGQIX-ZETCQYMHSA-N -1 1 354.379 2.325 20 0 FEADMM O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155631804 672236751 /nfs/dbraw/zinc/23/67/51/672236751.db2.gz RIHTYIZPBSIENU-LLVKDONJSA-N -1 1 357.805 2.059 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(C)(C)CO ZINC000586762507 672241042 /nfs/dbraw/zinc/24/10/42/672241042.db2.gz HBYQHDABVNQZDP-UHFFFAOYSA-N -1 1 370.254 2.077 20 0 FEADMM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000156379105 672245795 /nfs/dbraw/zinc/24/57/95/672245795.db2.gz ZUHSPQCJDZSNPP-UHFFFAOYSA-N -1 1 353.132 2.414 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)OC(C)(C)C ZINC000610784916 675996599 /nfs/dbraw/zinc/99/65/99/675996599.db2.gz YWCWOWJKQFHHOZ-GFCCVEGCSA-N -1 1 365.398 2.372 20 0 FEADMM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000159374775 672281372 /nfs/dbraw/zinc/28/13/72/672281372.db2.gz JQHMDNLWYOYUOA-CYBMUJFWSA-N -1 1 361.341 2.124 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2coc(-c3ccccc3)n2)co1 ZINC000163497304 672309816 /nfs/dbraw/zinc/30/98/16/672309816.db2.gz YLZSIXAVXVYDQQ-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175767219 672370195 /nfs/dbraw/zinc/37/01/95/672370195.db2.gz ADDIGNHDYMPWCK-UHFFFAOYSA-N -1 1 370.368 2.234 20 0 FEADMM O=C(NCC[N-]C(=O)C(F)(F)C(F)F)c1cccc(Br)c1 ZINC000176332420 672375065 /nfs/dbraw/zinc/37/50/65/672375065.db2.gz KHFCMNFJPJVYES-UHFFFAOYSA-N -1 1 371.128 2.196 20 0 FEADMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178791356 672395360 /nfs/dbraw/zinc/39/53/60/672395360.db2.gz KCZZWXUZGNTOMS-HTQZYQBOSA-N -1 1 371.684 2.183 20 0 FEADMM C[C@H]1NC(C(=O)Nc2ccc(Cl)cc2[O-])=NN(c2ccccc2)C1=O ZINC000179636025 672404109 /nfs/dbraw/zinc/40/41/09/672404109.db2.gz SXYJOCUXXQNGDV-SNVBAGLBSA-N -1 1 358.785 2.323 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1 ZINC000181119905 672422230 /nfs/dbraw/zinc/42/22/30/672422230.db2.gz XDRAKQIIFXKDEY-UHFFFAOYSA-N -1 1 352.387 2.303 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2nc3ccccc3o2)co1 ZINC000181793401 672430941 /nfs/dbraw/zinc/43/09/41/672430941.db2.gz FLTKENDJOKBKIC-VIFPVBQESA-N -1 1 350.352 2.247 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)o1 ZINC000611038993 676013613 /nfs/dbraw/zinc/01/36/13/676013613.db2.gz LCBHTTXTPPHVTB-UHFFFAOYSA-N -1 1 359.444 2.471 20 0 FEADMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccsc1 ZINC000182471696 672445985 /nfs/dbraw/zinc/44/59/85/672445985.db2.gz XJNSUINQBVESLL-LLVKDONJSA-N -1 1 362.816 2.322 20 0 FEADMM Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000182645446 672449320 /nfs/dbraw/zinc/44/93/20/672449320.db2.gz LJJPOCQXNKFXRD-UHFFFAOYSA-N -1 1 350.806 2.380 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccnc(SC)c2)ccc1OC ZINC000611231472 676026952 /nfs/dbraw/zinc/02/69/52/676026952.db2.gz LAHFRUBHMSCNSY-UHFFFAOYSA-N -1 1 368.436 2.400 20 0 FEADMM Cn1cc(-c2nc(C(=O)[N-]c3nc(-c4ccccc4)no3)cs2)cn1 ZINC000588761673 672477409 /nfs/dbraw/zinc/47/74/09/672477409.db2.gz YCEBLNSNQQKYHV-UHFFFAOYSA-N -1 1 352.379 2.268 20 0 FEADMM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1c(F)cc(F)cc1F ZINC000183738541 672478815 /nfs/dbraw/zinc/47/88/15/672478815.db2.gz AFKRMRDKNODRFG-UHFFFAOYSA-N -1 1 371.702 2.157 20 0 FEADMM CN(CC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000679562983 672506228 /nfs/dbraw/zinc/50/62/28/672506228.db2.gz ZQOCTHUBDVODLU-ZDUSSCGKSA-N -1 1 359.348 2.006 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000589148728 672509552 /nfs/dbraw/zinc/50/95/52/672509552.db2.gz AGIQDZLUSCSMPU-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)C=Cc1ccccc1Cl ZINC000184936026 672512910 /nfs/dbraw/zinc/51/29/10/672512910.db2.gz UZEWUQITRVQLIH-VOTSOKGWSA-N -1 1 358.785 2.179 20 0 FEADMM Cc1sc2ncn([N-]C(=O)c3ccc([N+](=O)[O-])cc3O)c(=O)c2c1C ZINC000185113297 672519663 /nfs/dbraw/zinc/51/96/63/672519663.db2.gz SLNOEYLLHNFEGI-UHFFFAOYSA-N -1 1 360.351 2.073 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1C ZINC000589594333 672533375 /nfs/dbraw/zinc/53/33/75/672533375.db2.gz XFYODWWTLVZBGC-UHFFFAOYSA-N -1 1 363.317 2.324 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1Cl ZINC000590384419 672576397 /nfs/dbraw/zinc/57/63/97/672576397.db2.gz UQEOFAMRBLKTJG-UHFFFAOYSA-N -1 1 370.814 2.080 20 0 FEADMM COc1ccc(F)cc1CC(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000188272207 672587090 /nfs/dbraw/zinc/58/70/90/672587090.db2.gz GVLDWHOKOUPUJW-UHFFFAOYSA-N -1 1 352.749 2.197 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccc[nH]2)c1 ZINC000188686720 672596109 /nfs/dbraw/zinc/59/61/09/672596109.db2.gz NEVPUXYUWDMSHU-JXMROGBWSA-N -1 1 363.439 2.403 20 0 FEADMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc([O-])c(F)c1 ZINC000681018808 672621663 /nfs/dbraw/zinc/62/16/63/672621663.db2.gz ZGRYDEPNUGNKGX-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681017308 672621723 /nfs/dbraw/zinc/62/17/23/672621723.db2.gz PPSCQDGYMFUPOG-UHFFFAOYSA-N -1 1 366.414 2.148 20 0 FEADMM COC[C@H](C)n1ccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)n1 ZINC000189914301 672627138 /nfs/dbraw/zinc/62/71/38/672627138.db2.gz OLEKTMVYBAQPLF-VIFPVBQESA-N -1 1 369.784 2.350 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc(CN3CCC(C)CC3)cs2)on1 ZINC000611486164 676040101 /nfs/dbraw/zinc/04/01/01/676040101.db2.gz QJRXORPIZGNGTD-UHFFFAOYSA-N -1 1 364.427 2.402 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)NC(=O)OC(C)(C)C ZINC000192995029 672708523 /nfs/dbraw/zinc/70/85/23/672708523.db2.gz XNQAFSBNBWSLBW-VIFPVBQESA-N -1 1 350.387 2.156 20 0 FEADMM O=C(NCc1cc[nH]n1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000193417135 672723883 /nfs/dbraw/zinc/72/38/83/672723883.db2.gz MHGFHDXKLMCVPE-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1cccc(C)c1C ZINC000592046608 672741325 /nfs/dbraw/zinc/74/13/25/672741325.db2.gz BWBJOXSXLOOICG-DLBZAZTESA-N -1 1 371.499 2.498 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)s1 ZINC000592063491 672745055 /nfs/dbraw/zinc/74/50/55/672745055.db2.gz VYDNOIRGZPCDQS-RKDXNWHRSA-N -1 1 351.421 2.102 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000592074713 672748338 /nfs/dbraw/zinc/74/83/38/672748338.db2.gz MINDQEBGMNLJMW-HZPDHXFCSA-N -1 1 371.499 2.141 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@@H]1SC ZINC000592097234 672755132 /nfs/dbraw/zinc/75/51/32/672755132.db2.gz HTEVWDMASYVTPK-KKFJDGPESA-N -1 1 355.403 2.291 20 0 FEADMM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1nn[n-]n1 ZINC000682897253 672797007 /nfs/dbraw/zinc/79/70/07/672797007.db2.gz CSJIDKPKSLQIAZ-UHFFFAOYSA-N -1 1 352.276 2.112 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCC(F)F)c1 ZINC000684471389 672935148 /nfs/dbraw/zinc/93/51/48/672935148.db2.gz QPCWZBBHUYUMRI-UHFFFAOYSA-N -1 1 350.387 2.407 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)Cc2ccccc2Cl)CCSCC1 ZINC000270205757 672947433 /nfs/dbraw/zinc/94/74/33/672947433.db2.gz DFIOCPXOZWOFHV-UHFFFAOYSA-N -1 1 363.888 2.198 20 0 FEADMM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCc1nn[n-]n1 ZINC000684732508 672959911 /nfs/dbraw/zinc/95/99/11/672959911.db2.gz APQSIFHANFNEBL-UHFFFAOYSA-N -1 1 353.169 2.400 20 0 FEADMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000593634539 672966078 /nfs/dbraw/zinc/96/60/78/672966078.db2.gz WEXHBNZJQUKSEQ-NSHDSACASA-N -1 1 358.218 2.314 20 0 FEADMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000593651712 672971352 /nfs/dbraw/zinc/97/13/52/672971352.db2.gz SSVFVYXPFBBGKQ-OAHLLOKOSA-N -1 1 373.446 2.136 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ncc(C(=O)OCC)cc2Cl)n1 ZINC000593900843 673006343 /nfs/dbraw/zinc/00/63/43/673006343.db2.gz GSYAIAJHRTTWBU-UHFFFAOYSA-N -1 1 366.761 2.064 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)c1ccccc1 ZINC000295663819 673008045 /nfs/dbraw/zinc/00/80/45/673008045.db2.gz INZFPYGQCPFKIO-IRXDYDNUSA-N -1 1 363.435 2.208 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000685417134 673009404 /nfs/dbraw/zinc/00/94/04/673009404.db2.gz VLJXDFJRWBTKPD-UHFFFAOYSA-N -1 1 353.369 2.034 20 0 FEADMM CC1(C)C[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000685637515 673031391 /nfs/dbraw/zinc/03/13/91/673031391.db2.gz WPEXBWNYHDMUCL-SNVBAGLBSA-N -1 1 351.255 2.186 20 0 FEADMM C[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000319893151 673037931 /nfs/dbraw/zinc/03/79/31/673037931.db2.gz WEKIPLMQDUDXKH-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C)c1 ZINC000327640465 673060929 /nfs/dbraw/zinc/06/09/29/673060929.db2.gz SKXRBUYFPDUIKR-UHFFFAOYSA-N -1 1 366.395 2.145 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)O2)c1F ZINC000594464542 673077101 /nfs/dbraw/zinc/07/71/01/673077101.db2.gz PXVNOCQTKGRGIC-SCZZXKLOSA-N -1 1 365.810 2.112 20 0 FEADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000724128206 673087724 /nfs/dbraw/zinc/08/77/24/673087724.db2.gz KLKRFPFPCAPKRX-ZYHUDNBSSA-N -1 1 361.179 2.246 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCCC3)sc1C ZINC000333199002 673096899 /nfs/dbraw/zinc/09/68/99/673096899.db2.gz YDZPBOLSLWNKKB-SNVBAGLBSA-N -1 1 355.489 2.117 20 0 FEADMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2ccnc(OC)c2)cc1 ZINC000594729328 673125085 /nfs/dbraw/zinc/12/50/85/673125085.db2.gz XLYGWOWLFNAJTO-UHFFFAOYSA-N -1 1 364.423 2.342 20 0 FEADMM COC[C@@H](C)Cc1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000351448680 673140413 /nfs/dbraw/zinc/14/04/13/673140413.db2.gz BTWAGJNCCIVPJM-JTQLQIEISA-N -1 1 357.432 2.231 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ncon4)cc3)cc21 ZINC000726931031 673147114 /nfs/dbraw/zinc/14/71/14/673147114.db2.gz PXMIWEMKPDVPMQ-UHFFFAOYSA-N -1 1 357.347 2.208 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)s1)c1cccc(OC)c1 ZINC000594823044 673153264 /nfs/dbraw/zinc/15/32/64/673153264.db2.gz QKOXCFXCLYFIPG-CQSZACIVSA-N -1 1 355.437 2.258 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)o1 ZINC000594839491 673158335 /nfs/dbraw/zinc/15/83/35/673158335.db2.gz BWYFPTDFOCTGIQ-UHFFFAOYSA-N -1 1 369.370 2.225 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccn2C)cc1-c1nnnn1C1CC1 ZINC000414379004 673181191 /nfs/dbraw/zinc/18/11/91/673181191.db2.gz FHVUSPVINXMLHJ-UHFFFAOYSA-N -1 1 358.427 2.123 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(OC)cc2O)cc1 ZINC000442845142 673222432 /nfs/dbraw/zinc/22/24/32/673222432.db2.gz MSYWMFFZDUKAKI-UHFFFAOYSA-N -1 1 353.396 2.230 20 0 FEADMM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)OC ZINC000595320751 673223608 /nfs/dbraw/zinc/22/36/08/673223608.db2.gz HKSBIXKCLVQKRR-ZDUSSCGKSA-N -1 1 361.460 2.494 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1C ZINC000595320823 673223628 /nfs/dbraw/zinc/22/36/28/673223628.db2.gz HIDPSVDDMXOFLH-NWDGAFQWSA-N -1 1 359.444 2.247 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(OC)cc2C)cc1C ZINC000595324913 673224823 /nfs/dbraw/zinc/22/48/23/673224823.db2.gz SOGKIWDONMHWSK-UHFFFAOYSA-N -1 1 353.396 2.170 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)CCCc2cccnc2)cc1C ZINC000595339269 673227447 /nfs/dbraw/zinc/22/74/47/673227447.db2.gz WMPSHMACQGPPBJ-ZDUSSCGKSA-N -1 1 366.439 2.459 20 0 FEADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])NCCCn1cccn1 ZINC000730359372 673277546 /nfs/dbraw/zinc/27/75/46/673277546.db2.gz KELNIRVZCWKRHL-UHFFFAOYSA-N -1 1 372.208 2.259 20 0 FEADMM O=S(=O)([N-]Cc1n[nH]c(-c2ccccc2)n1)c1c(F)cc(F)cc1F ZINC000733313816 673408728 /nfs/dbraw/zinc/40/87/28/673408728.db2.gz BAAGXUPIEMEMBK-UHFFFAOYSA-N -1 1 368.340 2.368 20 0 FEADMM CS[C@H](C)CCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000538000070 673416361 /nfs/dbraw/zinc/41/63/61/673416361.db2.gz KJXSYJQWISPFSH-SNVBAGLBSA-N -1 1 358.485 2.303 20 0 FEADMM Cc1nc(SCc2cccc(S(=O)(=O)N(C)C)c2)[n-]c(=O)c1C ZINC000538516556 673444059 /nfs/dbraw/zinc/44/40/59/673444059.db2.gz GUFZJSLEKOEUNO-UHFFFAOYSA-N -1 1 353.469 2.342 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C/c2ccccc2F)c1 ZINC000538605543 673447510 /nfs/dbraw/zinc/44/75/10/673447510.db2.gz LVODGOULCGFSQY-HWKANZROSA-N -1 1 350.371 2.221 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](COC)c2ccccc2)o1 ZINC000538758208 673456458 /nfs/dbraw/zinc/45/64/58/673456458.db2.gz FPFKINYFEUKCON-CYBMUJFWSA-N -1 1 353.396 2.122 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000734498827 673465221 /nfs/dbraw/zinc/46/52/21/673465221.db2.gz YEZFKJVHMDDRRH-SNVBAGLBSA-N -1 1 366.480 2.158 20 0 FEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000539150028 673476765 /nfs/dbraw/zinc/47/67/65/673476765.db2.gz QJHQTJMBCNEWIW-VIFPVBQESA-N -1 1 368.434 2.290 20 0 FEADMM CC(C)Oc1c(Cl)cccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000735658567 673498930 /nfs/dbraw/zinc/49/89/30/673498930.db2.gz MKYNDKFDQQKAJP-UHFFFAOYSA-N -1 1 351.790 2.006 20 0 FEADMM CC(C)(Sc1ccc(Br)cc1)C(=O)NCc1nn[n-]n1 ZINC000735679580 673499956 /nfs/dbraw/zinc/49/99/56/673499956.db2.gz LIJKXIMTNJAZPF-UHFFFAOYSA-N -1 1 356.249 2.149 20 0 FEADMM O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1c([O-])cccc1F ZINC000735924941 673508148 /nfs/dbraw/zinc/50/81/48/673508148.db2.gz HMPHMWMIZJEQON-ZRDIBKRKSA-N -1 1 364.398 2.450 20 0 FEADMM CC[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000541852167 673557269 /nfs/dbraw/zinc/55/72/69/673557269.db2.gz STGWPWJGDPOIQV-CYBMUJFWSA-N -1 1 363.439 2.380 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c(C)c1F ZINC000542093991 673561085 /nfs/dbraw/zinc/56/10/85/673561085.db2.gz PJYDONHXIWPHLW-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000598477839 673573853 /nfs/dbraw/zinc/57/38/53/673573853.db2.gz BSPMAFNYHZZBHL-MGPLVRAMSA-N -1 1 353.444 2.064 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(F)c1 ZINC000598623441 673591869 /nfs/dbraw/zinc/59/18/69/673591869.db2.gz AIBVQQSKSSCKJI-JTQLQIEISA-N -1 1 351.346 2.326 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCS2)o1 ZINC000543131222 673626888 /nfs/dbraw/zinc/62/68/88/673626888.db2.gz GPTXKUXVJCKQJU-LLVKDONJSA-N -1 1 360.501 2.372 20 0 FEADMM Cc1ccc2nc(COC(=O)c3sccc3[N-]S(C)(=O)=O)cn2c1 ZINC000739391322 673631508 /nfs/dbraw/zinc/63/15/08/673631508.db2.gz IPLRETJZUDXDSX-UHFFFAOYSA-N -1 1 365.436 2.433 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c1F ZINC000599306380 673656288 /nfs/dbraw/zinc/65/62/88/673656288.db2.gz GQWONWGAMBAEKZ-VIFPVBQESA-N -1 1 365.423 2.173 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1F ZINC000599341146 673661786 /nfs/dbraw/zinc/66/17/86/673661786.db2.gz HKAGUDQXWHNFEP-SCVCMEIPSA-N -1 1 359.394 2.466 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C)cn2)o1 ZINC000599410688 673671706 /nfs/dbraw/zinc/67/17/06/673671706.db2.gz OACKJMUUINLLLB-UHFFFAOYSA-N -1 1 366.439 2.416 20 0 FEADMM O=S(=O)([N-]Cc1cn2ccccc2n1)c1ccc(Br)o1 ZINC000544748090 673730152 /nfs/dbraw/zinc/73/01/52/673730152.db2.gz YQLRDMVHTVCVQW-UHFFFAOYSA-N -1 1 356.201 2.168 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CN1c1ccc(F)cc1 ZINC000545121352 673745399 /nfs/dbraw/zinc/74/53/99/673745399.db2.gz OGPMYXCBYXIUCB-AWEZNQCLSA-N -1 1 360.366 2.266 20 0 FEADMM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1ccc(Br)o1 ZINC000545363507 673763041 /nfs/dbraw/zinc/76/30/41/673763041.db2.gz KYEOFZNRSCHKHT-LBPRGKRZSA-N -1 1 374.256 2.487 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(CC(=O)OC)c(F)c1)C1CC1 ZINC000600653354 673786131 /nfs/dbraw/zinc/78/61/31/673786131.db2.gz HQIXEXZUJMULAE-HNNXBMFYSA-N -1 1 359.419 2.098 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccccc2NC(C)=O)CCCC1 ZINC000600659755 673787454 /nfs/dbraw/zinc/78/74/54/673787454.db2.gz QNBIGYHKEOBVLX-UHFFFAOYSA-N -1 1 354.428 2.120 20 0 FEADMM Cc1csc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000744312575 673792853 /nfs/dbraw/zinc/79/28/53/673792853.db2.gz DHYNOHWIADDWAO-UHFFFAOYSA-N -1 1 358.441 2.478 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)NCCC(C)C ZINC000744567550 673801478 /nfs/dbraw/zinc/80/14/78/673801478.db2.gz OLBDVAOOLZXFSZ-ZDUSSCGKSA-N -1 1 370.471 2.156 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)NC1CCCC1 ZINC000744575180 673802263 /nfs/dbraw/zinc/80/22/63/673802263.db2.gz HOYGJFZXWMURLN-LBPRGKRZSA-N -1 1 368.455 2.052 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2c(Cl)ccc(C(=O)OC)c2C)cn1 ZINC000546633922 673808198 /nfs/dbraw/zinc/80/81/98/673808198.db2.gz UOFBPQWVAJKKGG-UHFFFAOYSA-N -1 1 357.819 2.452 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)cc1F ZINC000546677189 673811133 /nfs/dbraw/zinc/81/11/33/673811133.db2.gz SRFQYWOSRHWUDK-UHFFFAOYSA-N -1 1 353.297 2.156 20 0 FEADMM CCCCOC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744882318 673815490 /nfs/dbraw/zinc/81/54/90/673815490.db2.gz TYQLRRQCQOOUST-GFCCVEGCSA-N -1 1 357.428 2.337 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)C[C@H]2CCC2(F)F)CCc2ccccc21 ZINC000601345597 673846107 /nfs/dbraw/zinc/84/61/07/673846107.db2.gz DNCCLQJOPZSPGD-CJNGLKHVSA-N -1 1 373.421 2.356 20 0 FEADMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)CCC(C)(F)F ZINC000601397108 673855125 /nfs/dbraw/zinc/85/51/25/673855125.db2.gz JZSHFTARSGIYCS-AWEZNQCLSA-N -1 1 374.409 2.217 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601404230 673856597 /nfs/dbraw/zinc/85/65/97/673856597.db2.gz USHVEZDEUACGTM-LLVKDONJSA-N -1 1 374.365 2.065 20 0 FEADMM CCOC(=O)[C@]1(COC)CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601560495 673881686 /nfs/dbraw/zinc/88/16/86/673881686.db2.gz XTYMBTKTYIHRQS-GOSISDBHSA-N -1 1 369.845 2.406 20 0 FEADMM COC(=O)CC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000601563415 673881974 /nfs/dbraw/zinc/88/19/74/673881974.db2.gz HWATYQISXVMWJO-UHFFFAOYSA-N -1 1 355.818 2.064 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cc(Cl)cn2C)n[n-]1 ZINC000548068954 673920245 /nfs/dbraw/zinc/92/02/45/673920245.db2.gz YTTVVSLEVQZQNI-NSHDSACASA-N -1 1 367.837 2.491 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cc(Cl)cn2C)[n-]1 ZINC000548068954 673920248 /nfs/dbraw/zinc/92/02/48/673920248.db2.gz YTTVVSLEVQZQNI-NSHDSACASA-N -1 1 367.837 2.491 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cc(Cl)cn2C)n1 ZINC000548068954 673920250 /nfs/dbraw/zinc/92/02/50/673920250.db2.gz YTTVVSLEVQZQNI-NSHDSACASA-N -1 1 367.837 2.491 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000747368513 673924217 /nfs/dbraw/zinc/92/42/17/673924217.db2.gz DQONCALBUJEHHE-UHFFFAOYSA-N -1 1 360.380 2.371 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000548474551 673961806 /nfs/dbraw/zinc/96/18/06/673961806.db2.gz DUDHPWRMQNVOSL-GFCCVEGCSA-N -1 1 355.382 2.244 20 0 FEADMM C[C@@H](O)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000566936633 675254248 /nfs/dbraw/zinc/25/42/48/675254248.db2.gz SKSBCXJWFJVMDH-UONOGXRCSA-N -1 1 362.451 2.377 20 0 FEADMM CC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000567204526 675275225 /nfs/dbraw/zinc/27/52/25/675275225.db2.gz QSBKCMPZLVNIKL-UHFFFAOYSA-N -1 1 351.255 2.188 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccn1 ZINC000615481512 676216655 /nfs/dbraw/zinc/21/66/55/676216655.db2.gz WZPRCISWCFGJMR-ZDUSSCGKSA-N -1 1 350.758 2.093 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1nc2ccccc2s1)CC1CC1 ZINC000568034436 675345900 /nfs/dbraw/zinc/34/59/00/675345900.db2.gz SVJZQHVEEVNVHY-LLVKDONJSA-N -1 1 354.453 2.164 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820534237 675368142 /nfs/dbraw/zinc/36/81/42/675368142.db2.gz KLHLGTAQRALOHT-SSDOTTSWSA-N -1 1 350.791 2.383 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820534237 675368145 /nfs/dbraw/zinc/36/81/45/675368145.db2.gz KLHLGTAQRALOHT-SSDOTTSWSA-N -1 1 350.791 2.383 20 0 FEADMM O=C([N-]c1nnc(C2CCOCC2)s1)c1ncc(Br)cn1 ZINC000820721430 675382016 /nfs/dbraw/zinc/38/20/16/675382016.db2.gz GKQXTDZTNNCLPE-UHFFFAOYSA-N -1 1 370.232 2.237 20 0 FEADMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000568819406 675402808 /nfs/dbraw/zinc/40/28/08/675402808.db2.gz HTMYMNGAZCQRSN-PBHICJAKSA-N -1 1 353.440 2.277 20 0 FEADMM C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1nc(=O)n(C)[n-]1 ZINC000568824927 675403021 /nfs/dbraw/zinc/40/30/21/675403021.db2.gz CPMZPWRGMAWTBX-GXFFZTMASA-N -1 1 356.348 2.089 20 0 FEADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)C2(CC(=O)OCC)CC2)cc1 ZINC000821128071 675416717 /nfs/dbraw/zinc/41/67/17/675416717.db2.gz PZDIUQPLXPYUPN-UHFFFAOYSA-N -1 1 369.439 2.481 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000821150732 675418680 /nfs/dbraw/zinc/41/86/80/675418680.db2.gz KAUFOIVBOKSXPE-HNNXBMFYSA-N -1 1 351.428 2.346 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C(=O)NC(C)(C)C)C(C)C)c1 ZINC000821358092 675429757 /nfs/dbraw/zinc/42/97/57/675429757.db2.gz GLCXGEGFGIVEJG-LMKMVOKYSA-N -1 1 369.483 2.285 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2nnc(C(C)(C)C)o2)c1 ZINC000821361106 675429906 /nfs/dbraw/zinc/42/99/06/675429906.db2.gz YFAUXGSKUIWEQN-DEOSSOPVSA-N -1 1 352.412 2.227 20 0 FEADMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2 ZINC000821769614 675450731 /nfs/dbraw/zinc/45/07/31/675450731.db2.gz HQRMRMWFHIYLBR-UHFFFAOYSA-N -1 1 368.499 2.175 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000822412058 675483243 /nfs/dbraw/zinc/48/32/43/675483243.db2.gz BKSPCGYPEOFSLL-SNVBAGLBSA-N -1 1 356.213 2.469 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(F)c1 ZINC000823027667 675523924 /nfs/dbraw/zinc/52/39/24/675523924.db2.gz ZPQLHOROWVNOTI-UHFFFAOYSA-N -1 1 350.306 2.246 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(F)c1 ZINC000823027667 675523925 /nfs/dbraw/zinc/52/39/25/675523925.db2.gz ZPQLHOROWVNOTI-UHFFFAOYSA-N -1 1 350.306 2.246 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824669183 675615825 /nfs/dbraw/zinc/61/58/25/675615825.db2.gz ANXTUICTYYRLSW-WPRPVWTQSA-N -1 1 350.835 2.381 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824669183 675615827 /nfs/dbraw/zinc/61/58/27/675615827.db2.gz ANXTUICTYYRLSW-WPRPVWTQSA-N -1 1 350.835 2.381 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(F)cc2)n[n-]1 ZINC000824887059 675626806 /nfs/dbraw/zinc/62/68/06/675626806.db2.gz HCXWCPHQLFMUEL-VHSXEESVSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(F)cc2)[n-]1 ZINC000824887059 675626807 /nfs/dbraw/zinc/62/68/07/675626807.db2.gz HCXWCPHQLFMUEL-VHSXEESVSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(F)cc2)n1 ZINC000824887059 675626808 /nfs/dbraw/zinc/62/68/08/675626808.db2.gz HCXWCPHQLFMUEL-VHSXEESVSA-N -1 1 366.418 2.479 20 0 FEADMM CCS(=O)(=O)C[C@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011052 675633477 /nfs/dbraw/zinc/63/34/77/675633477.db2.gz CCYUPBTXNYXCTP-NSHDSACASA-N -1 1 366.405 2.409 20 0 FEADMM CCN1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CC1=O ZINC000825443779 675653340 /nfs/dbraw/zinc/65/33/40/675653340.db2.gz FZZHMQBPTJJVRQ-VIFPVBQESA-N -1 1 362.459 2.033 20 0 FEADMM CCN1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CC1=O ZINC000825443779 675653341 /nfs/dbraw/zinc/65/33/41/675653341.db2.gz FZZHMQBPTJJVRQ-VIFPVBQESA-N -1 1 362.459 2.033 20 0 FEADMM CSCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1nn[n-]n1 ZINC000826928925 675716300 /nfs/dbraw/zinc/71/63/00/675716300.db2.gz TVEDDURLBCWOQG-LOWVWBTDSA-N -1 1 353.398 2.192 20 0 FEADMM Cn1nc(C(=O)Nc2nc(Br)ccc2[O-])c2c1CCCC2 ZINC000827148270 675733860 /nfs/dbraw/zinc/73/38/60/675733860.db2.gz GVGKPIWGJCXGJK-UHFFFAOYSA-N -1 1 351.204 2.414 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000827374349 675751742 /nfs/dbraw/zinc/75/17/42/675751742.db2.gz GYTQMJIZPMLVRY-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM CCOCCCNC(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000605446954 675815221 /nfs/dbraw/zinc/81/52/21/675815221.db2.gz XPKYRIREAWAEMQ-MRVPVSSYSA-N -1 1 353.366 2.224 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000605495982 675816246 /nfs/dbraw/zinc/81/62/46/675816246.db2.gz HQTGIHUSNLWJDT-UHFFFAOYSA-N -1 1 362.451 2.476 20 0 FEADMM CCCCC[C@H](O)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000829468368 675879943 /nfs/dbraw/zinc/87/99/43/675879943.db2.gz BYXXSKOUDOHXBW-QWHCGFSZSA-N -1 1 355.801 2.139 20 0 FEADMM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1c([O-])cccc1F ZINC000608365876 675889632 /nfs/dbraw/zinc/88/96/32/675889632.db2.gz UMXRVEQAWDEFDE-UHFFFAOYSA-N -1 1 374.340 2.117 20 0 FEADMM CCCc1sc(C(=O)NCc2n[n-]c(C(=O)OCC)n2)cc1CC ZINC000615918611 676233607 /nfs/dbraw/zinc/23/36/07/676233607.db2.gz VGWIMEZYZSXYEO-UHFFFAOYSA-N -1 1 350.444 2.488 20 0 FEADMM CCCc1sc(C(=O)NCc2nc(C(=O)OCC)n[n-]2)cc1CC ZINC000615918611 676233609 /nfs/dbraw/zinc/23/36/09/676233609.db2.gz VGWIMEZYZSXYEO-UHFFFAOYSA-N -1 1 350.444 2.488 20 0 FEADMM COC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000617375136 676282704 /nfs/dbraw/zinc/28/27/04/676282704.db2.gz OYLKBXLECRXNJO-CYBMUJFWSA-N -1 1 358.232 2.326 20 0 FEADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cscn1 ZINC000617829387 676307659 /nfs/dbraw/zinc/30/76/59/676307659.db2.gz FZOQHKYIQORMRI-VIFPVBQESA-N -1 1 357.457 2.304 20 0 FEADMM CCCCCc1nnc([N-]C(=O)c2c(C)oc(C)c2S(N)(=O)=O)s1 ZINC000618346891 676335522 /nfs/dbraw/zinc/33/55/22/676335522.db2.gz YFLMILUKCMBPJZ-UHFFFAOYSA-N -1 1 372.472 2.380 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(Br)cc1 ZINC000618488212 676342349 /nfs/dbraw/zinc/34/23/49/676342349.db2.gz 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FEADMM Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c(F)c1F ZINC000625229343 676630456 /nfs/dbraw/zinc/63/04/56/676630456.db2.gz WSLFWMJJFHOWFR-QPUJVOFHSA-N -1 1 359.316 2.397 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c1F ZINC000625328774 676639788 /nfs/dbraw/zinc/63/97/88/676639788.db2.gz XGDNDCBRZMFMIV-LLVKDONJSA-N -1 1 367.324 2.113 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC[C@H]1O)c1c(Cl)cc(Cl)cc1Cl ZINC000625599078 676660427 /nfs/dbraw/zinc/66/04/27/676660427.db2.gz WHAIWVJPWIWLNR-NXEZZACHSA-N -1 1 360.646 2.075 20 0 FEADMM O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677928256 679704629 /nfs/dbraw/zinc/70/46/29/679704629.db2.gz VMFUIAUKCAJGTJ-SNVBAGLBSA-N -1 1 354.336 2.037 20 0 FEADMM COc1cc2[n-]cc(C(=O)N[C@H]3CCCC3(F)F)c(=O)c2c(OC)c1 ZINC000627293318 676749236 /nfs/dbraw/zinc/74/92/36/676749236.db2.gz QDCQBAUOXLXQAW-ZDUSSCGKSA-N -1 1 352.337 2.463 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000628837219 676820686 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O=C(CCc1nn[n-]n1)NC1(c2cccc(Br)c2)CCC1 ZINC000630817118 676923003 /nfs/dbraw/zinc/92/30/03/676923003.db2.gz BRKHERORBRYKJD-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)s1 ZINC000678301353 679723510 /nfs/dbraw/zinc/72/35/10/679723510.db2.gz RVBMDWZVPHFSIM-UHFFFAOYSA-N -1 1 365.440 2.395 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@H]2CCOc3c(OC)cccc32)c1 ZINC000631878592 676961555 /nfs/dbraw/zinc/96/15/55/676961555.db2.gz WDIMVVIISSGYKX-ZDUSSCGKSA-N -1 1 365.407 2.212 20 0 FEADMM CO[C@@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000631975619 676968034 /nfs/dbraw/zinc/96/80/34/676968034.db2.gz NBZLHOFKDAGCFQ-CHWSQXEVSA-N -1 1 371.846 2.377 20 0 FEADMM COC1(CS(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)CCC1 ZINC000632077523 676974484 /nfs/dbraw/zinc/97/44/84/676974484.db2.gz QRXXCCRCVCTLKQ-CYBMUJFWSA-N -1 1 365.455 2.210 20 0 FEADMM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632148984 676978470 /nfs/dbraw/zinc/97/84/70/676978470.db2.gz ISKLRSPIDVWHQQ-ZETCQYMHSA-N -1 1 367.374 2.430 20 0 FEADMM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCO1 ZINC000632185491 676980450 /nfs/dbraw/zinc/98/04/50/676980450.db2.gz GCUOLFZTZUSKCU-NXEZZACHSA-N -1 1 355.382 2.301 20 0 FEADMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632252514 676983753 /nfs/dbraw/zinc/98/37/53/676983753.db2.gz WKEVLSAXZQGKCF-CABZTGNLSA-N -1 1 361.370 2.149 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC2CSC2)c1 ZINC000632264477 676984449 /nfs/dbraw/zinc/98/44/49/676984449.db2.gz XDKGPIKERLBMCG-UHFFFAOYSA-N -1 1 358.485 2.114 20 0 FEADMM CCO[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000632282597 676985516 /nfs/dbraw/zinc/98/55/16/676985516.db2.gz GYJFWDXHAOXNNS-NSHDSACASA-N -1 1 363.361 2.485 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000632362554 676990155 /nfs/dbraw/zinc/99/01/55/676990155.db2.gz JYVDTHPMTKAROA-MGPLVRAMSA-N -1 1 369.464 2.443 20 0 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O=C([O-])[C@@H]1CSCCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000901892434 690708882 /nfs/dbraw/zinc/70/88/82/690708882.db2.gz VZXJHORKNBTWNU-JTQLQIEISA-N -1 1 370.272 2.346 20 0 FEADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1F ZINC000901923076 690714748 /nfs/dbraw/zinc/71/47/48/690714748.db2.gz WSCIMYUWKIZNCM-UHFFFAOYSA-N -1 1 371.365 2.085 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000901927309 690715134 /nfs/dbraw/zinc/71/51/34/690715134.db2.gz JVKITBKKHSSFDL-CWRNSKLLSA-N -1 1 368.861 2.329 20 0 FEADMM Cc1csc(C)c1S(=O)(=O)[N-]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000901931980 690716123 /nfs/dbraw/zinc/71/61/23/690716123.db2.gz OPXFTLSXIQDOSL-AWEZNQCLSA-N -1 1 352.437 2.391 20 0 FEADMM Cc1nn(CCC(=O)[O-])c(C)c1CNCC(=O)Nc1ccc(Cl)cc1 ZINC000902172499 690743733 /nfs/dbraw/zinc/74/37/33/690743733.db2.gz MPIMAIGBQKHKQY-UHFFFAOYSA-N -1 1 364.833 2.356 20 0 FEADMM O=C([N-]CCn1cnnc1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902955122 690823834 /nfs/dbraw/zinc/82/38/34/690823834.db2.gz KBCOVKZUQXQSJL-UHFFFAOYSA-N -1 1 369.681 2.254 20 0 FEADMM CC[C@](O)(CCC(F)(F)F)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000903001945 690829107 /nfs/dbraw/zinc/82/91/07/690829107.db2.gz SFIZUCZLQUNPIV-HNNXBMFYSA-N -1 1 357.332 2.137 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000903086852 690842551 /nfs/dbraw/zinc/84/25/51/690842551.db2.gz BVHXPVZBICCFFQ-UHFFFAOYSA-N -1 1 360.505 2.236 20 0 FEADMM Cn1ncc(C(=O)OC(C)(C)C)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC000903169286 690860145 /nfs/dbraw/zinc/86/01/45/690860145.db2.gz FOBQKJXBKOCHRN-UHFFFAOYSA-N -1 1 351.428 2.317 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCC(C)(C)C1 ZINC000903549605 690921842 /nfs/dbraw/zinc/92/18/42/690921842.db2.gz HDANEOLXHZCXPV-UHFFFAOYSA-N -1 1 374.890 2.357 20 0 FEADMM CN(C)c1ccc2cc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)ccc2c1 ZINC000903634961 690945510 /nfs/dbraw/zinc/94/55/10/690945510.db2.gz RMVXBYHSXCHIEE-QHCPKHFHSA-N -1 1 370.500 2.137 20 0 FEADMM CCNS(=O)(=O)c1cccc(CNCc2ccc(C(=O)[O-])s2)c1 ZINC000903690522 690962475 /nfs/dbraw/zinc/96/24/75/690962475.db2.gz HCRBLCGDVPFTNL-UHFFFAOYSA-N -1 1 354.453 2.034 20 0 FEADMM Cc1c([C@H](NCc2cncc(Br)c2C)C(=O)[O-])cnn1C ZINC000904048208 690997783 /nfs/dbraw/zinc/99/77/83/690997783.db2.gz OPVDEVSYFZODTQ-ZDUSSCGKSA-N -1 1 353.220 2.110 20 0 FEADMM COc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)ccc1OC(F)F ZINC000904049153 690998237 /nfs/dbraw/zinc/99/82/37/690998237.db2.gz WVZBWJDCTSBRMF-AWEZNQCLSA-N -1 1 355.341 2.254 20 0 FEADMM CCc1nc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)n[nH]1 ZINC000905375463 691110789 /nfs/dbraw/zinc/11/07/89/691110789.db2.gz GKWQLDNFADVTAW-ZDUSSCGKSA-N -1 1 353.220 2.387 20 0 FEADMM CCCN(C)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000906886194 691336410 /nfs/dbraw/zinc/33/64/10/691336410.db2.gz HJGSAKWRLHPOEY-UHFFFAOYSA-N -1 1 366.405 2.328 20 0 FEADMM C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000906933987 691347885 /nfs/dbraw/zinc/34/78/85/691347885.db2.gz FFPHKCYLACRIMX-NHYWBVRUSA-N -1 1 368.480 2.416 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1C(=O)[O-] ZINC000907025710 691373573 /nfs/dbraw/zinc/37/35/73/691373573.db2.gz GKHSTAKKDIXQJH-CVEARBPZSA-N -1 1 366.483 2.297 20 0 FEADMM CC(C)(C)N1CC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000907028832 691374870 /nfs/dbraw/zinc/37/48/70/691374870.db2.gz LSOHMTGJCVHTJO-CQSZACIVSA-N -1 1 366.483 2.025 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)c1F ZINC000907054536 691382504 /nfs/dbraw/zinc/38/25/04/691382504.db2.gz YKHSRYMAOODPAE-ZDUSSCGKSA-N -1 1 370.446 2.209 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473276 691492853 /nfs/dbraw/zinc/49/28/53/691492853.db2.gz FECPDWMGULEGNB-NSHDSACASA-N -1 1 368.260 2.201 20 0 FEADMM O=C(Cc1nc(-c2ccccc2)cs1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479818 691496909 /nfs/dbraw/zinc/49/69/09/691496909.db2.gz IQOOGADEVKUJRX-CYBMUJFWSA-N -1 1 372.479 2.182 20 0 FEADMM CCOc1c(Cl)cccc1CC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479515 691497071 /nfs/dbraw/zinc/49/70/71/691497071.db2.gz KPNICZSGHDFDIS-GFCCVEGCSA-N -1 1 367.862 2.111 20 0 FEADMM O=C(c1ccc(SC(F)(F)F)o1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479464 691497124 /nfs/dbraw/zinc/49/71/24/691497124.db2.gz DYZYWVJQCZPCPL-LURJTMIESA-N -1 1 365.362 2.335 20 0 FEADMM COc1ccc(C=C(C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1F ZINC000907481089 691497880 /nfs/dbraw/zinc/49/78/80/691497880.db2.gz ZDVBOIGFWDSGAL-RSPDNQDQSA-N -1 1 363.418 2.067 20 0 FEADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480984 691498022 /nfs/dbraw/zinc/49/80/22/691498022.db2.gz RNTJOMGGPCDKBE-LSDHHAIUSA-N -1 1 359.455 2.106 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC12CCCCC2)c1c[nH]nc1C(F)(F)F ZINC000907643799 691530764 /nfs/dbraw/zinc/53/07/64/691530764.db2.gz LNZKNYYGEXRVAW-JTQLQIEISA-N -1 1 353.366 2.199 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCSC(C)(C)C2)c(C(F)(F)F)n1 ZINC000907752667 691553774 /nfs/dbraw/zinc/55/37/74/691553774.db2.gz SBYJCLUEAPZCJU-QMMMGPOBSA-N -1 1 357.423 2.391 20 0 FEADMM CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000907833054 691567726 /nfs/dbraw/zinc/56/77/26/691567726.db2.gz ZAPGHADKNHZAKJ-CHWSQXEVSA-N -1 1 354.255 2.217 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2sc(C)cc2C)[n-]c1=O ZINC000908016955 691598636 /nfs/dbraw/zinc/59/86/36/691598636.db2.gz PGFWZTFQSHFDFD-NSHDSACASA-N -1 1 369.468 2.395 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)CCC2CCCC2)[n-]c1=O ZINC000908016102 691598846 /nfs/dbraw/zinc/59/88/46/691598846.db2.gz IYYYEYHQGMZKBV-ZDUSSCGKSA-N -1 1 355.460 2.238 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)CCO2 ZINC000908018789 691599737 /nfs/dbraw/zinc/59/97/37/691599737.db2.gz QDGZBKFAQWIHCK-BNOWGMLFSA-N -1 1 353.431 2.273 20 0 FEADMM O=S(=O)([N-]CC[C@H](O)C1CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000908311321 691657604 /nfs/dbraw/zinc/65/76/04/691657604.db2.gz BYYGAQLIJHCTAT-VIFPVBQESA-N -1 1 358.769 2.193 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000908502168 691690852 /nfs/dbraw/zinc/69/08/52/691690852.db2.gz XURDGDVEAVNZIN-ZIAGYGMSSA-N -1 1 355.456 2.228 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@@H](COC)C(=O)[O-])c1ccccc1Cl ZINC000908749834 691722264 /nfs/dbraw/zinc/72/22/64/691722264.db2.gz ZHDCQRYWQNZVSI-LSDHHAIUSA-N -1 1 371.865 2.122 20 0 FEADMM Cc1cc(Cl)ccc1OCCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908751133 691722643 /nfs/dbraw/zinc/72/26/43/691722643.db2.gz KMNAXTXUFSSALA-CQSZACIVSA-N -1 1 368.861 2.330 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccco1 ZINC000908875764 691745217 /nfs/dbraw/zinc/74/52/17/691745217.db2.gz KNJZZVNTVJUUQA-GHMZBOCLSA-N -1 1 365.352 2.367 20 0 FEADMM C[C@H](C(=O)[O-])N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000909125158 691782143 /nfs/dbraw/zinc/78/21/43/691782143.db2.gz CPIDZDMFPWFAEV-ZWNOBZJWSA-N -1 1 361.364 2.423 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1ccc(Cl)cc1 ZINC000909629969 691841376 /nfs/dbraw/zinc/84/13/76/691841376.db2.gz IVKDJGQARWNJSY-APIJFGDWSA-N -1 1 359.813 2.493 20 0 FEADMM O=C([O-])[C@H]1CSCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000910145491 691894148 /nfs/dbraw/zinc/89/41/48/691894148.db2.gz SMOLPRLKFFRTBN-SJORKVTESA-N -1 1 362.495 2.317 20 0 FEADMM O=C([O-])[C@H]1CSCCN(C(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000910157235 691895311 /nfs/dbraw/zinc/89/53/11/691895311.db2.gz QGQBYCITIFYNCT-CYBMUJFWSA-N -1 1 352.456 2.155 20 0 FEADMM O=C([O-])c1cnc(C2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)s1 ZINC000910214185 691901684 /nfs/dbraw/zinc/90/16/84/691901684.db2.gz UPOMAXXPVGMDPW-LLVKDONJSA-N -1 1 360.439 2.076 20 0 FEADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000910233077 691904437 /nfs/dbraw/zinc/90/44/37/691904437.db2.gz YPKGGIZQGXQXAJ-ULQDDVLXSA-N -1 1 354.491 2.273 20 0 FEADMM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910242173 691905401 /nfs/dbraw/zinc/90/54/01/691905401.db2.gz QIGKCOTZGJBJPX-DCGLDWPTSA-N -1 1 368.861 2.329 20 0 FEADMM CC[C@@H](CSc1ccccc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910250955 691906391 /nfs/dbraw/zinc/90/63/91/691906391.db2.gz PQVSEEHLLDROFA-GJZGRUSLSA-N -1 1 350.484 2.470 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H](C(=O)[O-])C3CC3)cc2)C[C@@H](C)O1 ZINC000663104545 939855238 /nfs/dbraw/zinc/85/52/38/939855238.db2.gz LXMMQQYFBUWRSS-LBTNJELSSA-N -1 1 360.454 2.023 20 0 FEADMM O=C(NCCc1cscn1)c1ccc(I)c([O-])c1 ZINC000230894136 548760938 /nfs/dbraw/zinc/76/09/38/548760938.db2.gz BHYLPSJRTPXUIZ-UHFFFAOYSA-N -1 1 374.203 2.426 20 0 FEADMM COC[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(C)C ZINC000230897091 548761560 /nfs/dbraw/zinc/76/15/60/548761560.db2.gz PHTKIYHWWLEMRO-LLVKDONJSA-N -1 1 363.195 2.398 20 0 FEADMM O=C(NCCS(=O)(=O)CCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000800347759 674044151 /nfs/dbraw/zinc/04/41/51/674044151.db2.gz ROSMFAHRJIIQEX-UHFFFAOYSA-N -1 1 367.854 2.433 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000015805393 539624242 /nfs/dbraw/zinc/62/42/42/539624242.db2.gz MMYKKJJSIWMQNL-VIFPVBQESA-N -1 1 373.438 2.011 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000028195762 539827655 /nfs/dbraw/zinc/82/76/55/539827655.db2.gz VXNNXEBPOVNPNV-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000028195845 539827848 /nfs/dbraw/zinc/82/78/48/539827848.db2.gz HWSWCOMYOLEZFX-UHFFFAOYSA-N -1 1 370.427 2.067 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)c1 ZINC000028243641 539828228 /nfs/dbraw/zinc/82/82/28/539828228.db2.gz QUMBHJPYRANAGB-UHFFFAOYSA-N -1 1 374.422 2.173 20 0 FEADMM C[C@H]1COCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029914806 539868255 /nfs/dbraw/zinc/86/82/55/539868255.db2.gz ARULSJQXJDTMFV-AWEZNQCLSA-N -1 1 360.435 2.348 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1 ZINC000041626006 540027507 /nfs/dbraw/zinc/02/75/07/540027507.db2.gz HPYGUIPLQSADIK-SNVBAGLBSA-N -1 1 363.439 2.469 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)N1CCCCC1=O ZINC000800939449 674092291 /nfs/dbraw/zinc/09/22/91/674092291.db2.gz DSVLXEISWMUCDE-VIFPVBQESA-N -1 1 366.270 2.068 20 0 FEADMM Cc1cccc(NC(=O)CSCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000043751407 540108386 /nfs/dbraw/zinc/10/83/86/540108386.db2.gz WQMSVMDGWDWHCY-UHFFFAOYSA-N -1 1 373.360 2.442 20 0 FEADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000046071200 540241121 /nfs/dbraw/zinc/24/11/21/540241121.db2.gz CQWJVSCSQSMROA-UHFFFAOYSA-N -1 1 361.423 2.181 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000047432489 540310720 /nfs/dbraw/zinc/31/07/20/540310720.db2.gz YDWQASRZBIHCQA-UHFFFAOYSA-N -1 1 365.389 2.297 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)o1 ZINC000048153539 540347969 /nfs/dbraw/zinc/34/79/69/540347969.db2.gz WCEVSTKQFISNNM-UHFFFAOYSA-N -1 1 352.387 2.132 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@@H]1O)c1cc(Br)cnc1Cl ZINC000052008966 540451947 /nfs/dbraw/zinc/45/19/47/540451947.db2.gz QEXLMGRGYWDBIT-IUCAKERBSA-N -1 1 369.668 2.079 20 0 FEADMM O=C(Cc1nc2ncccn2n1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536042661 540543584 /nfs/dbraw/zinc/54/35/84/540543584.db2.gz WMTLPZBQENXOLK-UHFFFAOYSA-N -1 1 359.802 2.411 20 0 FEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000054798430 540610633 /nfs/dbraw/zinc/61/06/33/540610633.db2.gz JFAHXUCTYWXUFR-VXGBXAGGSA-N -1 1 362.442 2.131 20 0 FEADMM CC[C@H](C)n1[nH]c(=NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1C ZINC000537239752 540705190 /nfs/dbraw/zinc/70/51/90/540705190.db2.gz ZDBKHDYFLNUSLA-VIFPVBQESA-N -1 1 356.386 2.473 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccccn2)c(=O)[n-]1 ZINC000056276414 540715469 /nfs/dbraw/zinc/71/54/69/540715469.db2.gz LGNWBEVXTQHVHX-HNNXBMFYSA-N -1 1 358.467 2.492 20 0 FEADMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000057119149 540769004 /nfs/dbraw/zinc/76/90/04/540769004.db2.gz OYXNGPHQKFVJRW-UHFFFAOYSA-N -1 1 356.835 2.013 20 0 FEADMM CN(C)S(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2F)ccc1F ZINC000801178978 674107453 /nfs/dbraw/zinc/10/74/53/674107453.db2.gz QEHLWXZSWQALKW-UHFFFAOYSA-N -1 1 356.350 2.173 20 0 FEADMM CN(CCc1ccccn1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000063683014 541178684 /nfs/dbraw/zinc/17/86/84/541178684.db2.gz GWPBKEXHWJEFIS-UHFFFAOYSA-N -1 1 365.455 2.066 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnn(C(C)C)c2)ccc1OCC(=O)[O-] ZINC000066585329 541341491 /nfs/dbraw/zinc/34/14/91/541341491.db2.gz STLPHUCOEWMZSU-UHFFFAOYSA-N -1 1 353.400 2.037 20 0 FEADMM CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638280 541352259 /nfs/dbraw/zinc/35/22/59/541352259.db2.gz ZSHJPNUTTWPCGG-UHFFFAOYSA-N -1 1 355.464 2.195 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)NCc3n[n-]c(=S)n3C3CC3)cn2)n1 ZINC000066637714 541352678 /nfs/dbraw/zinc/35/26/78/541352678.db2.gz FWXIUKXVEGCUFC-UHFFFAOYSA-N -1 1 369.454 2.403 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000066638486 541352830 /nfs/dbraw/zinc/35/28/30/541352830.db2.gz WYGHLZIJWNNEMP-UHFFFAOYSA-N -1 1 370.438 2.075 20 0 FEADMM C[C@@H](CN1CCOCC1)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000542181768 541354702 /nfs/dbraw/zinc/35/47/02/541354702.db2.gz VLDDXXANIPVJRI-NSHDSACASA-N -1 1 350.369 2.262 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cn(Cc3ccccc3)nn2)n[n-]c1=S ZINC000067073124 541413833 /nfs/dbraw/zinc/41/38/33/541413833.db2.gz MHJQSARUESENSH-UHFFFAOYSA-N -1 1 371.470 2.134 20 0 FEADMM CCn1c(CCNC(=O)C[C@@H]2OCCc3ccsc32)n[n-]c1=S ZINC000067076886 541414438 /nfs/dbraw/zinc/41/44/38/541414438.db2.gz IHAJQPNYIISWME-NSHDSACASA-N -1 1 352.485 2.385 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cccc(C[S@](C)=O)c2)n[n-]c1=S ZINC000067075090 541414584 /nfs/dbraw/zinc/41/45/84/541414584.db2.gz DDCPZUWQSPEWFB-XMMPIXPASA-N -1 1 366.512 2.373 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000067079737 541414649 /nfs/dbraw/zinc/41/46/49/541414649.db2.gz CHSQWPWDDCEJEF-UHFFFAOYSA-N -1 1 373.438 2.205 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067814284 541516673 /nfs/dbraw/zinc/51/66/73/541516673.db2.gz DJYMJVXIBPXACW-MSOLQXFVSA-N -1 1 360.417 2.355 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([O-])cc2)cc1OC ZINC000069163466 541664755 /nfs/dbraw/zinc/66/47/55/541664755.db2.gz WNGOJSYIXOUOLI-LLVKDONJSA-N -1 1 365.407 2.210 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC(O)CC1 ZINC000060795421 212023884 /nfs/dbraw/zinc/02/38/84/212023884.db2.gz APDCTZJNJWOEBK-UHFFFAOYSA-N -1 1 360.435 2.084 20 0 FEADMM CC(C)OC[C@@H](O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801357516 674124047 /nfs/dbraw/zinc/12/40/47/674124047.db2.gz GPPUVOTWEDNUHL-CYBMUJFWSA-N -1 1 354.790 2.174 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)OCc3ncc(Cl)n3C)n2)cc1 ZINC000801364641 674124363 /nfs/dbraw/zinc/12/43/63/674124363.db2.gz AMQNMOYPXFDMLO-UHFFFAOYSA-N -1 1 362.773 2.330 20 0 FEADMM O=C(COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@H]1CCCOC1 ZINC000801358752 674124367 /nfs/dbraw/zinc/12/43/67/674124367.db2.gz BQDOZQAUOFZEKB-NSHDSACASA-N -1 1 364.785 2.384 20 0 FEADMM Cn1ccc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cc1=O ZINC000801360148 674124422 /nfs/dbraw/zinc/12/44/22/674124422.db2.gz WRGXDBSHWZZLGO-UHFFFAOYSA-N -1 1 359.769 2.287 20 0 FEADMM CN(CC1CC1)C(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801372475 674124907 /nfs/dbraw/zinc/12/49/07/674124907.db2.gz BANYPISZKKENKX-UHFFFAOYSA-N -1 1 363.801 2.257 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCCCCS(C)(=O)=O)n1 ZINC000801426969 674126772 /nfs/dbraw/zinc/12/67/72/674126772.db2.gz IRFNPDAHFVDBEB-UHFFFAOYSA-N -1 1 370.402 2.007 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@@H](C)CC ZINC000551167413 674127788 /nfs/dbraw/zinc/12/77/88/674127788.db2.gz KCUQGZRSMNUWOM-SMDDNHRTSA-N -1 1 360.476 2.369 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000073445795 541954670 /nfs/dbraw/zinc/95/46/70/541954670.db2.gz VJHPQGDORAAPAG-UHFFFAOYSA-N -1 1 350.378 2.399 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc2c(cccc2F)[nH]1 ZINC000074162094 542045279 /nfs/dbraw/zinc/04/52/79/542045279.db2.gz NTNGKHWMFCIZFN-UHFFFAOYSA-N -1 1 353.357 2.190 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(C(C)(C)C)s2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000074121162 542040073 /nfs/dbraw/zinc/04/00/73/542040073.db2.gz JDRYRIIWFMHNEM-UHFFFAOYSA-N -1 1 359.411 2.338 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(C(C)(C)C)s2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000074121162 542040078 /nfs/dbraw/zinc/04/00/78/542040078.db2.gz JDRYRIIWFMHNEM-UHFFFAOYSA-N -1 1 359.411 2.338 20 0 FEADMM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000074977318 542143489 /nfs/dbraw/zinc/14/34/89/542143489.db2.gz MAKAYMJVSCLPES-PWSUYJOCSA-N -1 1 364.464 2.006 20 0 FEADMM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000074977314 542143685 /nfs/dbraw/zinc/14/36/85/542143685.db2.gz MAKAYMJVSCLPES-JQWIXIFHSA-N -1 1 364.464 2.006 20 0 FEADMM COCCOC[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000075196266 542158859 /nfs/dbraw/zinc/15/88/59/542158859.db2.gz OUXBZHSLNBHVSE-NSHDSACASA-N -1 1 358.232 2.280 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)O)cc2)cc1 ZINC000075236535 542162752 /nfs/dbraw/zinc/16/27/52/542162752.db2.gz UOSJNTJKDLTODN-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM CSCCc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1 ZINC000075435193 542179345 /nfs/dbraw/zinc/17/93/45/542179345.db2.gz KHIOHJAEFPTXGO-UHFFFAOYSA-N -1 1 350.465 2.492 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)cc1C ZINC000075576876 542189541 /nfs/dbraw/zinc/18/95/41/542189541.db2.gz KVINOGDBTLSXJY-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016149053 211155462 /nfs/dbraw/zinc/15/54/62/211155462.db2.gz SDILOMOOFOVOMR-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(CCOC)cc2)c1 ZINC000078585469 542468844 /nfs/dbraw/zinc/46/88/44/542468844.db2.gz ABSMGGSYFLISHG-UHFFFAOYSA-N -1 1 362.451 2.344 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000078795478 542481011 /nfs/dbraw/zinc/48/10/11/542481011.db2.gz HTDCHEUZJOMLIG-UHFFFAOYSA-N -1 1 371.437 2.419 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000068452221 221315587 /nfs/dbraw/zinc/31/55/87/221315587.db2.gz DGLXECJLVLFUJD-UHFFFAOYSA-N -1 1 360.487 2.441 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C1CC1)C1CC1 ZINC000081243437 542641493 /nfs/dbraw/zinc/64/14/93/542641493.db2.gz MCJXWWAIZXTHPD-UHFFFAOYSA-N -1 1 352.438 2.235 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)c1 ZINC000083577598 542699491 /nfs/dbraw/zinc/69/94/91/542699491.db2.gz XEILSAOVOVMFOS-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM Cc1ncc(Cl)c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000091161300 542795885 /nfs/dbraw/zinc/79/58/85/542795885.db2.gz VGSRUEZVGAEENE-UHFFFAOYSA-N -1 1 358.782 2.201 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCc1cccc(Cl)c1 ZINC000104012241 543120436 /nfs/dbraw/zinc/12/04/36/543120436.db2.gz JLMFWHVEPNWGJT-UHFFFAOYSA-N -1 1 369.812 2.048 20 0 FEADMM CCN(CC)c1ccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000104852059 543147549 /nfs/dbraw/zinc/14/75/49/543147549.db2.gz HYVIYLZZWBNKAA-UHFFFAOYSA-N -1 1 368.441 2.062 20 0 FEADMM COC(=O)C1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000106892926 543253626 /nfs/dbraw/zinc/25/36/26/543253626.db2.gz YSGWQQYQZJDZNE-UHFFFAOYSA-N -1 1 351.346 2.114 20 0 FEADMM O=C(NC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1)C1CCOCC1 ZINC000107509122 543271683 /nfs/dbraw/zinc/27/16/83/543271683.db2.gz TURWYEQWHHAPQW-UHFFFAOYSA-N -1 1 366.845 2.193 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000109424369 543324662 /nfs/dbraw/zinc/32/46/62/543324662.db2.gz SXOHYKNVFZFSRW-UHFFFAOYSA-N -1 1 368.480 2.265 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000110565993 543360983 /nfs/dbraw/zinc/36/09/83/543360983.db2.gz FSBLNDAOFBCAHM-GIPWTMENSA-N -1 1 350.422 2.232 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000110565990 543361279 /nfs/dbraw/zinc/36/12/79/543361279.db2.gz FSBLNDAOFBCAHM-PRWKNARSSA-N -1 1 350.422 2.232 20 0 FEADMM C[C@@H](NC(=O)c1cncc([O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000111592681 543408105 /nfs/dbraw/zinc/40/81/05/543408105.db2.gz JDGJNUAHZSTZBZ-CYBMUJFWSA-N -1 1 354.410 2.144 20 0 FEADMM O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1[O-] ZINC000112593494 543453473 /nfs/dbraw/zinc/45/34/73/543453473.db2.gz USOBEIQNPDIWIK-UHFFFAOYSA-N -1 1 354.740 2.484 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(C)(C)COc2ccccc2)co1 ZINC000802297198 674176138 /nfs/dbraw/zinc/17/61/38/674176138.db2.gz GHDSZVHCQFXWPD-UHFFFAOYSA-N -1 1 367.423 2.450 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](F)(CO)C2)c([O-])c1 ZINC000802333742 674177980 /nfs/dbraw/zinc/17/79/80/674177980.db2.gz OWGNGIBPEMSMKL-QGZVFWFLSA-N -1 1 354.378 2.286 20 0 FEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)C1=O ZINC000802422355 674181353 /nfs/dbraw/zinc/18/13/53/674181353.db2.gz UCXFIJSPZKKLJD-IINYFYTJSA-N -1 1 361.295 2.468 20 0 FEADMM Cc1ccccc1-n1ccnc1SCC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124524586 543827926 /nfs/dbraw/zinc/82/79/26/543827926.db2.gz MLMMVVPALSGVBY-CYBMUJFWSA-N -1 1 371.470 2.048 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cc(Br)c1)c1nn[n-]n1 ZINC000124057996 543798748 /nfs/dbraw/zinc/79/87/48/543798748.db2.gz JPUFDQCLTXYROS-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1S(C)(=O)=O ZINC000125909951 543908560 /nfs/dbraw/zinc/90/85/60/543908560.db2.gz PSCGJZMDOITJFV-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM CCOc1ccccc1[C@H](CC)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000127045071 543970233 /nfs/dbraw/zinc/97/02/33/543970233.db2.gz YVYJIDJKBDYKHA-AWEZNQCLSA-N -1 1 366.439 2.468 20 0 FEADMM O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)no1)c1n[n-]c(C2CC2)n1 ZINC000127144412 543975394 /nfs/dbraw/zinc/97/53/94/543975394.db2.gz WDUBKTNKNDECFT-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000127822898 544015566 /nfs/dbraw/zinc/01/55/66/544015566.db2.gz YJVYVAPESXJGQT-UHFFFAOYSA-N -1 1 368.480 2.265 20 0 FEADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)cc2F)c1 ZINC000127978292 544025315 /nfs/dbraw/zinc/02/53/15/544025315.db2.gz KTJPDPIIFBZKMG-UHFFFAOYSA-N -1 1 374.397 2.220 20 0 FEADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000128117314 544033595 /nfs/dbraw/zinc/03/35/95/544033595.db2.gz DUXIDWRREBJSCA-LBPRGKRZSA-N -1 1 367.331 2.298 20 0 FEADMM C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1=O ZINC000128121393 544034196 /nfs/dbraw/zinc/03/41/96/544034196.db2.gz XONUVRWOIGNWGF-MWLCHTKSSA-N -1 1 367.331 2.372 20 0 FEADMM COc1ccc(Cl)cc1NCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129329426 544105587 /nfs/dbraw/zinc/10/55/87/544105587.db2.gz KEKXIMNQHFFXFG-LLVKDONJSA-N -1 1 364.837 2.070 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129508534 544116279 /nfs/dbraw/zinc/11/62/79/544116279.db2.gz CXBIGGACYWBIMK-VHSXEESVSA-N -1 1 353.785 2.166 20 0 FEADMM CCc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1-c1ccc(C)cc1 ZINC000129528625 544116800 /nfs/dbraw/zinc/11/68/00/544116800.db2.gz YMNUPYFOMHFSAA-CQSZACIVSA-N -1 1 365.441 2.276 20 0 FEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C(=O)OC)ccc1F ZINC000156497621 545631999 /nfs/dbraw/zinc/63/19/99/545631999.db2.gz ZOIKBEYGCJJOJZ-UHFFFAOYSA-N -1 1 369.418 2.271 20 0 FEADMM O=C([N-]c1ccncc1F)c1sccc1S(=O)(=O)N1CCCC1 ZINC000132006024 544215221 /nfs/dbraw/zinc/21/52/21/544215221.db2.gz SZYRESBFDNIPHX-UHFFFAOYSA-N -1 1 355.416 2.319 20 0 FEADMM O=C(CCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc2c(c1)CCC2 ZINC000132712598 544241223 /nfs/dbraw/zinc/24/12/23/544241223.db2.gz SVQXCVIHYYGWCC-MRXNPFEDSA-N -1 1 353.426 2.058 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)o1 ZINC000135539627 544352207 /nfs/dbraw/zinc/35/22/07/544352207.db2.gz WPKVRVFOOPQZER-UHFFFAOYSA-N -1 1 362.407 2.459 20 0 FEADMM CCC(=O)[C@@H]1CCCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000136004532 544364813 /nfs/dbraw/zinc/36/48/13/544364813.db2.gz YUQUPOOGRYIIKW-INIZCTEOSA-N -1 1 368.437 2.043 20 0 FEADMM CCn1c(=O)c2ccc(C(=O)N3CCCN(C4CC4)CC3)cc2[n-]c1=S ZINC000149030931 544454336 /nfs/dbraw/zinc/45/43/36/544454336.db2.gz WFCYUMQCJIBHSC-UHFFFAOYSA-N -1 1 372.494 2.389 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@]23CCCc2ccccc23)o1 ZINC000151302717 544526563 /nfs/dbraw/zinc/52/65/63/544526563.db2.gz PIBNKWNBNORTHB-AUUYWEPGSA-N -1 1 374.462 2.212 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000152197271 544625145 /nfs/dbraw/zinc/62/51/45/544625145.db2.gz HCJMGMQYUKPCSZ-SWLSCSKDSA-N -1 1 357.454 2.098 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)co1 ZINC000152759242 544692509 /nfs/dbraw/zinc/69/25/09/544692509.db2.gz UYUUQUJDBZZHJG-ZDUSSCGKSA-N -1 1 350.440 2.199 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)c1 ZINC000153298488 544758410 /nfs/dbraw/zinc/75/84/10/544758410.db2.gz IURPQTCVUQSNHR-UHFFFAOYSA-N -1 1 358.441 2.353 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2ccc(OC)c(Br)c2)n[n-]1 ZINC000153161323 544740017 /nfs/dbraw/zinc/74/00/17/544740017.db2.gz YQIUEVFJHPSZQA-UHFFFAOYSA-N -1 1 360.233 2.112 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)CCC2CCOCC2)c(=O)[n-]1 ZINC000154814524 544952665 /nfs/dbraw/zinc/95/26/65/544952665.db2.gz CRANOXNBPGFLFE-UHFFFAOYSA-N -1 1 353.488 2.008 20 0 FEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000154506383 544914612 /nfs/dbraw/zinc/91/46/12/544914612.db2.gz FINKBVUJPFXLCC-UHFFFAOYSA-N -1 1 371.422 2.363 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)c1ccccc1NCc1ccco1 ZINC000155274130 545007088 /nfs/dbraw/zinc/00/70/88/545007088.db2.gz BZHPIFPOZMEFQW-UHFFFAOYSA-N -1 1 359.411 2.347 20 0 FEADMM CCCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000155278428 545007158 /nfs/dbraw/zinc/00/71/58/545007158.db2.gz XNMZLLOQVJQROB-ZIAGYGMSSA-N -1 1 372.487 2.244 20 0 FEADMM Cn1[n-]c(COC(=O)c2cc(F)c(Br)c(Cl)c2)nc1=O ZINC000803734509 674257418 /nfs/dbraw/zinc/25/74/18/674257418.db2.gz HINCFOXFTULHCY-UHFFFAOYSA-N -1 1 364.558 2.020 20 0 FEADMM Cc1ccc(Cl)c2sc(NC(=O)c3cc(=O)n4[n-]cnc4n3)nc21 ZINC000553824178 674287759 /nfs/dbraw/zinc/28/77/59/674287759.db2.gz AJJOTLHEMMSQCO-UHFFFAOYSA-N -1 1 360.786 2.241 20 0 FEADMM C[C@H](CN(C)C(=O)c1cnc(Cc2ccccc2F)s1)c1nn[n-]n1 ZINC000187320417 328016136 /nfs/dbraw/zinc/01/61/36/328016136.db2.gz MTGRUZZKEOOQBM-SNVBAGLBSA-N -1 1 360.418 2.262 20 0 FEADMM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188000666 328059373 /nfs/dbraw/zinc/05/93/73/328059373.db2.gz UAHAKLGWIOIYEY-JGVFFNPUSA-N -1 1 369.245 2.455 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2nc(N)nc(Nc3ccccc3)n2)n1 ZINC000188121619 328067412 /nfs/dbraw/zinc/06/74/12/328067412.db2.gz NYXQWZJHMUKMCH-UHFFFAOYSA-N -1 1 355.427 2.135 20 0 FEADMM CCN1CCN(C(=O)c2cc(Br)ccc2[O-])C(C)(C)C1=O ZINC000188127480 328067690 /nfs/dbraw/zinc/06/76/90/328067690.db2.gz ODEILURDSWXANZ-UHFFFAOYSA-N -1 1 355.232 2.238 20 0 FEADMM CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000189206034 328134546 /nfs/dbraw/zinc/13/45/46/328134546.db2.gz FJNJZFKXXLTPNV-WFASDCNBSA-N -1 1 371.409 2.380 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)o1 ZINC000189995898 328181278 /nfs/dbraw/zinc/18/12/78/328181278.db2.gz AFTFWPZLBSGEGO-UHFFFAOYSA-N -1 1 370.377 2.271 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000191890544 328287066 /nfs/dbraw/zinc/28/70/66/328287066.db2.gz KZDSCBOEJJTXGA-UHFFFAOYSA-N -1 1 362.407 2.121 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2OCC2CC2)o1 ZINC000192172196 328304626 /nfs/dbraw/zinc/30/46/26/328304626.db2.gz XQWITHVITQERBZ-UHFFFAOYSA-N -1 1 368.386 2.368 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000193337201 328369629 /nfs/dbraw/zinc/36/96/29/328369629.db2.gz IVZPKJWYSFAQKI-JTQLQIEISA-N -1 1 374.260 2.411 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCC(C(N)=O)CC2)c1 ZINC000195329165 328472023 /nfs/dbraw/zinc/47/20/23/328472023.db2.gz YLXOZTJQHXCAFL-UHFFFAOYSA-N -1 1 373.478 2.498 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4scnc4c3)cc2n(C)c1=O ZINC000195447533 328478043 /nfs/dbraw/zinc/47/80/43/328478043.db2.gz JKEMRIUUIDGQSX-UHFFFAOYSA-N -1 1 374.447 2.288 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)o1 ZINC000048155414 324656050 /nfs/dbraw/zinc/65/60/50/324656050.db2.gz BRIPHYBFERVHMV-SECBINFHSA-N -1 1 358.366 2.299 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000077389019 324989876 /nfs/dbraw/zinc/98/98/76/324989876.db2.gz PDXMQANLKOFFDE-LLVKDONJSA-N -1 1 364.464 2.008 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc21 ZINC000078001572 325027276 /nfs/dbraw/zinc/02/72/76/325027276.db2.gz PDURNFBFKNAEOR-UHFFFAOYSA-N -1 1 357.391 2.424 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000079582254 325097970 /nfs/dbraw/zinc/09/79/70/325097970.db2.gz JEARDSTXJQIOGM-HWPZZCPQSA-N -1 1 366.414 2.380 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)o1 ZINC000081448814 325176276 /nfs/dbraw/zinc/17/62/76/325176276.db2.gz QXMCBHILZOXJHX-QMMMGPOBSA-N -1 1 360.794 2.471 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCSC(C)(C)C1 ZINC000083005743 325209622 /nfs/dbraw/zinc/20/96/22/325209622.db2.gz QJCQNVASDBHPTJ-UHFFFAOYSA-N -1 1 372.494 2.427 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)n[n-]1 ZINC000086170261 325261327 /nfs/dbraw/zinc/26/13/27/325261327.db2.gz ZAMBKTNULWYFIV-UHFFFAOYSA-N -1 1 354.338 2.274 20 0 FEADMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(C2CCCCC2)[nH]n1 ZINC000089474795 325319060 /nfs/dbraw/zinc/31/90/60/325319060.db2.gz KIZPLCXPXDKSLY-UHFFFAOYSA-N -1 1 359.430 2.357 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COc1ccccc1F ZINC000091161039 325376343 /nfs/dbraw/zinc/37/63/43/325376343.db2.gz PNXTUTVTCNIOLR-UHFFFAOYSA-N -1 1 356.350 2.354 20 0 FEADMM CC(C)n1c(CCNC(=O)C[C@@H](O)c2cccc(F)c2)n[n-]c1=S ZINC000091444242 325386713 /nfs/dbraw/zinc/38/67/13/325386713.db2.gz HCQVDPAAPJLXJN-CYBMUJFWSA-N -1 1 352.435 2.443 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000092600519 325421360 /nfs/dbraw/zinc/42/13/60/325421360.db2.gz UFMWHULJUJXREZ-VXGBXAGGSA-N -1 1 353.216 2.038 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC[C@@H](C)O ZINC000098075641 325466027 /nfs/dbraw/zinc/46/60/27/325466027.db2.gz JANSKPDAPPUZLM-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000116601495 326026932 /nfs/dbraw/zinc/02/69/32/326026932.db2.gz XGHWZQBOLJQASM-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000118289196 326087485 /nfs/dbraw/zinc/08/74/85/326087485.db2.gz DYOZVXGFAOJXCA-MNOVXSKESA-N -1 1 360.501 2.322 20 0 FEADMM Cc1nc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1 ZINC000118648032 326095590 /nfs/dbraw/zinc/09/55/90/326095590.db2.gz AOYFMQAOWOOOQK-UHFFFAOYSA-N -1 1 372.406 2.109 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC([C@@H](O)c3ccccc3)CC1)c2=O ZINC000119148576 326131458 /nfs/dbraw/zinc/13/14/58/326131458.db2.gz YBASWNBHNZJHRU-KRWDZBQOSA-N -1 1 366.421 2.260 20 0 FEADMM CC(C)[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1nc(C2CC2)no1 ZINC000119213365 326138462 /nfs/dbraw/zinc/13/84/62/326138462.db2.gz GQEATJZNIJLZIA-LBPRGKRZSA-N -1 1 356.386 2.061 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCOCc1ccc(Cl)cc1)c2=O ZINC000119428365 326161107 /nfs/dbraw/zinc/16/11/07/326161107.db2.gz SBALHEIQXABFTN-UHFFFAOYSA-N -1 1 360.801 2.274 20 0 FEADMM CN1C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2C1=O ZINC000119621952 326181715 /nfs/dbraw/zinc/18/17/15/326181715.db2.gz ZCGIFFKTUHVZBK-UHFFFAOYSA-N -1 1 356.403 2.202 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](O)C3)cc2)cc1C ZINC000119853065 326205395 /nfs/dbraw/zinc/20/53/95/326205395.db2.gz QASIXTLULMBWIG-KRWDZBQOSA-N -1 1 374.462 2.311 20 0 FEADMM C[C@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000120633501 326274485 /nfs/dbraw/zinc/27/44/85/326274485.db2.gz YRCURMNILKXGQC-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)O)ccc2C)cc1 ZINC000120655738 326276386 /nfs/dbraw/zinc/27/63/86/326276386.db2.gz OVHQCGHVTYYSCX-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM CCOC(=O)C(=C([O-])Cn1nnc(-c2ccccc2)n1)c1nc(C)cs1 ZINC000120801943 326289248 /nfs/dbraw/zinc/28/92/48/326289248.db2.gz LHJPHOFGXXULGG-AWEZNQCLSA-N -1 1 371.422 2.021 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)no1 ZINC000120945675 326300890 /nfs/dbraw/zinc/30/08/90/326300890.db2.gz GTPWSZMBXJFFMZ-UHFFFAOYSA-N -1 1 356.454 2.350 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1sccc1Br ZINC000121729260 326362201 /nfs/dbraw/zinc/36/22/01/326362201.db2.gz ZCLIEVWPDFURCZ-IUCAKERBSA-N -1 1 354.291 2.340 20 0 FEADMM O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccccc1[O-] ZINC000122062727 326382666 /nfs/dbraw/zinc/38/26/66/326382666.db2.gz OZIYJKZPVBHYIE-UHFFFAOYSA-N -1 1 374.340 2.485 20 0 FEADMM COC(=O)Cc1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000122227135 326388615 /nfs/dbraw/zinc/38/86/15/326388615.db2.gz XUCBCKVVFMQJBU-UHFFFAOYSA-N -1 1 357.410 2.344 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(CO)C3)ccc2C)cc1 ZINC000122682715 326405616 /nfs/dbraw/zinc/40/56/16/326405616.db2.gz JRTYKQZGTDJKLM-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc[nH]c(=O)c1 ZINC000123736748 326441450 /nfs/dbraw/zinc/44/14/50/326441450.db2.gz BFXMQWGESWUKDT-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CO)ccc2C)cc1 ZINC000125590683 326474337 /nfs/dbraw/zinc/47/43/37/326474337.db2.gz ZMPLQHBPICBXMF-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM CCC[C@H](NC(=O)c1ncccc1[O-])C(=O)N1CCc2sccc2C1 ZINC000125647026 326475268 /nfs/dbraw/zinc/47/52/68/326475268.db2.gz MBDVBMCAFAFTFO-ZDUSSCGKSA-N -1 1 359.451 2.332 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(O)c2F)o1 ZINC000129496521 326541580 /nfs/dbraw/zinc/54/15/80/326541580.db2.gz KSTFRJUHQSPZJJ-UHFFFAOYSA-N -1 1 356.375 2.453 20 0 FEADMM O=S(=O)([N-]CCCOC1CCOCC1)c1c(F)cccc1Cl ZINC000132865475 326599192 /nfs/dbraw/zinc/59/91/92/326599192.db2.gz OVMXPWHOQAUFAF-UHFFFAOYSA-N -1 1 351.827 2.343 20 0 FEADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)N1CCCCC1 ZINC000134437342 326625617 /nfs/dbraw/zinc/62/56/17/326625617.db2.gz BKZGHKHMBFBZQT-SNVBAGLBSA-N -1 1 355.232 2.286 20 0 FEADMM NC(=O)[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000137100585 326657921 /nfs/dbraw/zinc/65/79/21/326657921.db2.gz XRKDGUURUXBWCB-CYBMUJFWSA-N -1 1 367.174 2.250 20 0 FEADMM CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)Nc1cc[nH]n1 ZINC000152619450 326712030 /nfs/dbraw/zinc/71/20/30/326712030.db2.gz YOBMUXYUMLEYPI-NSHDSACASA-N -1 1 372.397 2.020 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)co1 ZINC000152644255 326712859 /nfs/dbraw/zinc/71/28/59/326712859.db2.gz BPLDQSYVQCARNR-WCQYABFASA-N -1 1 366.414 2.345 20 0 FEADMM CCOCCO[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000164814164 327074321 /nfs/dbraw/zinc/07/43/21/327074321.db2.gz HNAOHTUORRBQSV-LBPRGKRZSA-N -1 1 358.232 2.422 20 0 FEADMM CN(C[C@@H]1CCCO1)C(=O)c1cc(I)ccc1[O-] ZINC000170857066 327102979 /nfs/dbraw/zinc/10/29/79/327102979.db2.gz ADUKGXUANCSWCN-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000171261607 327128368 /nfs/dbraw/zinc/12/83/68/327128368.db2.gz YDSKIALUMAOMJH-UHFFFAOYSA-N -1 1 360.801 2.327 20 0 FEADMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)ccc1Cl ZINC000172366467 327198096 /nfs/dbraw/zinc/19/80/96/327198096.db2.gz ABJTYBFEGGADPB-LBPRGKRZSA-N -1 1 358.847 2.153 20 0 FEADMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000172658307 327213781 /nfs/dbraw/zinc/21/37/81/327213781.db2.gz HSCBUDANNSEJFX-UHFFFAOYSA-N -1 1 372.796 2.409 20 0 FEADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1 ZINC000172883463 327224524 /nfs/dbraw/zinc/22/45/24/327224524.db2.gz QKAHBVKMKBQASC-UHFFFAOYSA-N -1 1 366.414 2.348 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cnn(CC(F)(F)F)c1 ZINC000172895139 327225222 /nfs/dbraw/zinc/22/52/22/327225222.db2.gz QKRWVQHILXQTFB-UHFFFAOYSA-N -1 1 367.324 2.405 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)CC(C)C ZINC000173395686 327253456 /nfs/dbraw/zinc/25/34/56/327253456.db2.gz LMVNJVPXNDYBPO-VIFPVBQESA-N -1 1 353.362 2.218 20 0 FEADMM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000173471389 327259785 /nfs/dbraw/zinc/25/97/85/327259785.db2.gz FYHLXFORYATASI-QMMMGPOBSA-N -1 1 361.389 2.364 20 0 FEADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000174267815 327316206 /nfs/dbraw/zinc/31/62/06/327316206.db2.gz KTGUEAGFRKGFDW-UHFFFAOYSA-N -1 1 353.831 2.428 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@](C)(O)CCC(C)C ZINC000174480195 327329504 /nfs/dbraw/zinc/32/95/04/327329504.db2.gz JWKWZTVOJLVPRK-LJQANCHMSA-N -1 1 362.474 2.288 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)cc1C ZINC000174577402 327335941 /nfs/dbraw/zinc/33/59/41/327335941.db2.gz POYJSJGKKGTSEV-QGZVFWFLSA-N -1 1 374.462 2.311 20 0 FEADMM C[C@H](CC(=O)NCCCc1nc(=O)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000174578967 327336052 /nfs/dbraw/zinc/33/60/52/327336052.db2.gz GABMTMWNPNSNCV-SNVBAGLBSA-N -1 1 356.348 2.359 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](O)C3)c2)c1 ZINC000174591008 327336939 /nfs/dbraw/zinc/33/69/39/327336939.db2.gz MEWBCQACPYQMAP-QGZVFWFLSA-N -1 1 374.462 2.311 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CCC4)cc2oc1=O ZINC000175011747 327367714 /nfs/dbraw/zinc/36/77/14/327367714.db2.gz ALFDJQMNOKXPFG-UHFFFAOYSA-N -1 1 372.402 2.451 20 0 FEADMM O=C(CCC(F)(F)F)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000175072764 327372133 /nfs/dbraw/zinc/37/21/33/327372133.db2.gz KCOXYFSLLMATKY-UHFFFAOYSA-N -1 1 366.361 2.458 20 0 FEADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000263195454 328924108 /nfs/dbraw/zinc/92/41/08/328924108.db2.gz LSJMQWYLXRJKCR-BDAKNGLRSA-N -1 1 367.345 2.285 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NO[C@@H]1CCCCO1 ZINC000263794571 328963156 /nfs/dbraw/zinc/96/31/56/328963156.db2.gz KTZZSXSPYHMISR-MRXNPFEDSA-N -1 1 358.398 2.060 20 0 FEADMM Cc1ccccc1NCCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000265233624 329105401 /nfs/dbraw/zinc/10/54/01/329105401.db2.gz PUTQKGNDJFNNNS-UHFFFAOYSA-N -1 1 353.426 2.066 20 0 FEADMM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000265655627 329147152 /nfs/dbraw/zinc/14/71/52/329147152.db2.gz ZSYAFKJCPCPTSP-AWEZNQCLSA-N -1 1 372.421 2.083 20 0 FEADMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000265770430 329158702 /nfs/dbraw/zinc/15/87/02/329158702.db2.gz IRDRTQHBXDOCRY-SSDOTTSWSA-N -1 1 358.769 2.162 20 0 FEADMM CCC[C@](C)(O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266553475 329235627 /nfs/dbraw/zinc/23/56/27/329235627.db2.gz PDSPMHPMVALCPW-IBGZPJMESA-N -1 1 358.442 2.153 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000266617512 329242330 /nfs/dbraw/zinc/24/23/30/329242330.db2.gz YQGUFYFWYUCDOD-CYBMUJFWSA-N -1 1 373.840 2.356 20 0 FEADMM COc1ccc(NC(=O)c2cc(C(C)C)n(C)n2)cc1[N-]S(C)(=O)=O ZINC000266933802 329274238 /nfs/dbraw/zinc/27/42/38/329274238.db2.gz NZTYZFITEMOGHM-UHFFFAOYSA-N -1 1 366.443 2.176 20 0 FEADMM COc1ccc(CCNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1OC ZINC000267001343 329281805 /nfs/dbraw/zinc/28/18/05/329281805.db2.gz YSHBMXMUTBVCJK-UHFFFAOYSA-N -1 1 363.439 2.202 20 0 FEADMM COc1ccc(O[C@@H](C)CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000267004413 329282065 /nfs/dbraw/zinc/28/20/65/329282065.db2.gz AGBSTRQBUIEGSU-JTQLQIEISA-N -1 1 363.439 2.418 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(C)o1 ZINC000267109238 329292712 /nfs/dbraw/zinc/29/27/12/329292712.db2.gz YFHHGIHKJRAGSM-AWEZNQCLSA-N -1 1 353.396 2.041 20 0 FEADMM COc1ccc(NC(=O)Nc2c(C)nn(C)c2C)cc1[N-]S(C)(=O)=O ZINC000267257903 329307881 /nfs/dbraw/zinc/30/78/81/329307881.db2.gz ZFMQJQJCQGWTFK-UHFFFAOYSA-N -1 1 367.431 2.061 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000267300316 329312072 /nfs/dbraw/zinc/31/20/72/329312072.db2.gz LCDLTPCJDIEVJO-OXJNMPFZSA-N -1 1 370.453 2.153 20 0 FEADMM COC(=O)c1cc([N-]C(=O)c2cc(C(C)C)no2)cc(S(C)(=O)=O)c1 ZINC000268228297 329399103 /nfs/dbraw/zinc/39/91/03/329399103.db2.gz DNMZHHHROXEIFD-UHFFFAOYSA-N -1 1 366.395 2.240 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000268465219 329422949 /nfs/dbraw/zinc/42/29/49/329422949.db2.gz GBDZGIABJXWOPU-NSHDSACASA-N -1 1 353.831 2.329 20 0 FEADMM CCCN(Cc1ccc(F)cc1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000270014186 329568457 /nfs/dbraw/zinc/56/84/57/329568457.db2.gz GQHKKNADAFQHRK-UHFFFAOYSA-N -1 1 354.403 2.379 20 0 FEADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1(C)C ZINC000271928914 329738003 /nfs/dbraw/zinc/73/80/03/329738003.db2.gz LWQBKGRROOEJAA-SSKCKEOISA-N -1 1 370.453 2.271 20 0 FEADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000271973546 329741823 /nfs/dbraw/zinc/74/18/23/329741823.db2.gz NFGFBXNUQNZQSL-SSKCKEOISA-N -1 1 370.453 2.271 20 0 FEADMM CC[C@@H]1C[C@H](C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000272561512 329792139 /nfs/dbraw/zinc/79/21/39/329792139.db2.gz VMJQPQMHFNLRRL-DGCLKSJQSA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C(=O)OC)C1 ZINC000272730215 329808590 /nfs/dbraw/zinc/80/85/90/329808590.db2.gz VBKFCUJCPYTMBD-CJNGLKHVSA-N -1 1 371.389 2.112 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000272881421 329820413 /nfs/dbraw/zinc/82/04/13/329820413.db2.gz VPWUFNVAUXHXRR-SJORKVTESA-N -1 1 363.435 2.152 20 0 FEADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000273910007 329901655 /nfs/dbraw/zinc/90/16/55/329901655.db2.gz PGCWHODLEVBJRC-HSZRJFAPSA-N -1 1 367.448 2.137 20 0 FEADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000273910011 329901771 /nfs/dbraw/zinc/90/17/71/329901771.db2.gz PGCWHODLEVBJRC-QHCPKHFHSA-N -1 1 367.448 2.137 20 0 FEADMM COC(=O)CCN(CC(OC)OC)C(=O)c1cc2ccccc2cc1[O-] ZINC000274166041 329922321 /nfs/dbraw/zinc/92/23/21/329922321.db2.gz BDFFSXGIOAHHJL-UHFFFAOYSA-N -1 1 361.394 2.170 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000274246733 329930563 /nfs/dbraw/zinc/93/05/63/329930563.db2.gz YKFFLAJJKGOXPP-QMMMGPOBSA-N -1 1 363.716 2.251 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000274259422 329932024 /nfs/dbraw/zinc/93/20/24/329932024.db2.gz WKHNDNHRFBNJLX-SNVBAGLBSA-N -1 1 355.259 2.397 20 0 FEADMM CCOC(C)(C)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000275516905 330058335 /nfs/dbraw/zinc/05/83/35/330058335.db2.gz ZATIWGPMCLZPRA-UHFFFAOYSA-N -1 1 358.442 2.417 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000275628817 330071938 /nfs/dbraw/zinc/07/19/38/330071938.db2.gz PWTGTHJIFXTSNV-UHFFFAOYSA-N -1 1 370.403 2.152 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2o1 ZINC000276184461 330127086 /nfs/dbraw/zinc/12/70/86/330127086.db2.gz WFBXZPSYXVLILM-JTQLQIEISA-N -1 1 363.395 2.372 20 0 FEADMM Cc1ccc(OCC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000294189289 330191273 /nfs/dbraw/zinc/19/12/73/330191273.db2.gz SVTWDASZYRWUPD-UHFFFAOYSA-N -1 1 363.361 2.105 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCN[C@@H](c2ccncc2)C1 ZINC000367087575 330215591 /nfs/dbraw/zinc/21/55/91/330215591.db2.gz YHUHLMYGRYGSSN-CQSZACIVSA-N -1 1 362.227 2.336 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)c1 ZINC000367159180 330224021 /nfs/dbraw/zinc/22/40/21/330224021.db2.gz KYABYVMVAJDKCJ-UHFFFAOYSA-N -1 1 360.395 2.172 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccncc2)cc1 ZINC000373645320 330248071 /nfs/dbraw/zinc/24/80/71/330248071.db2.gz RNEJRIPBUHTVQR-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CO[C@H](CC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(F)(F)F ZINC000805074241 674316997 /nfs/dbraw/zinc/31/69/97/674316997.db2.gz FGYCNJJZCIIESR-MRVPVSSYSA-N -1 1 350.721 2.120 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1NC(N)=O ZINC000805081941 674317670 /nfs/dbraw/zinc/31/76/70/674317670.db2.gz GNHKAZWLFDIMCF-UHFFFAOYSA-N -1 1 370.818 2.343 20 0 FEADMM CN(CCCO)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000555599054 674368471 /nfs/dbraw/zinc/36/84/71/674368471.db2.gz DADMVBCCCOCQHE-UHFFFAOYSA-N -1 1 366.414 2.081 20 0 FEADMM COc1cc(NC(=O)N(C)[C@H]2CCSC2)ccc1[N-]S(C)(=O)=O ZINC000555668233 674371814 /nfs/dbraw/zinc/37/18/14/674371814.db2.gz RGUCYVPWTUADJD-NSHDSACASA-N -1 1 359.473 2.036 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cn1 ZINC000555753336 674374979 /nfs/dbraw/zinc/37/49/79/674374979.db2.gz FKIBMVBRYJJYGB-OAHLLOKOSA-N -1 1 350.444 2.089 20 0 FEADMM C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155481361 545531797 /nfs/dbraw/zinc/53/17/97/545531797.db2.gz WPXHWZNRECOOKX-ZBFHGGJFSA-N -1 1 354.458 2.137 20 0 FEADMM Cc1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1Br ZINC000155592952 545546759 /nfs/dbraw/zinc/54/67/59/545546759.db2.gz YTFADSFVTAWJMM-JTQLQIEISA-N -1 1 350.220 2.290 20 0 FEADMM O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155645979 545552944 /nfs/dbraw/zinc/55/29/44/545552944.db2.gz GQSFBOBTVRDUOC-SNVBAGLBSA-N -1 1 368.210 2.050 20 0 FEADMM COc1cc(NCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc(OC)c1 ZINC000156638325 545642367 /nfs/dbraw/zinc/64/23/67/545642367.db2.gz URYXPMPJUIHXAC-UHFFFAOYSA-N -1 1 372.393 2.372 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(C(C)=O)ccc2O)cc1C(=O)[O-] ZINC000477357475 561143009 /nfs/dbraw/zinc/14/30/09/561143009.db2.gz FXOIOZOFWJLOLR-UHFFFAOYSA-N -1 1 365.363 2.102 20 0 FEADMM CS(=O)(=O)c1csc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1 ZINC000157051684 545695440 /nfs/dbraw/zinc/69/54/40/545695440.db2.gz JFLCVGRLIVZCAQ-UHFFFAOYSA-N -1 1 356.816 2.100 20 0 FEADMM Cn1nc2ccccc2c1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000477614224 561149440 /nfs/dbraw/zinc/14/94/40/561149440.db2.gz GBJVRUCWLTYWQL-UHFFFAOYSA-N -1 1 362.386 2.336 20 0 FEADMM CCCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1cccc(F)c1 ZINC000478599068 561170688 /nfs/dbraw/zinc/17/06/88/561170688.db2.gz FIEKLCJZYIPNIZ-LBPRGKRZSA-N -1 1 371.420 2.353 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F)c1nn[n-]n1 ZINC000478601256 561170729 /nfs/dbraw/zinc/17/07/29/561170729.db2.gz VONZFFNNJHSQJR-YUSALJHKSA-N -1 1 351.357 2.167 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)c2ccccc2)o1 ZINC000479202033 561184327 /nfs/dbraw/zinc/18/43/27/561184327.db2.gz OOGVIAKQNLVJLR-CQSZACIVSA-N -1 1 353.396 2.122 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OCC)C23CCCC3)o1 ZINC000479207161 561184672 /nfs/dbraw/zinc/18/46/72/561184672.db2.gz RBHCHHQGNQSPQX-UONOGXRCSA-N -1 1 371.455 2.472 20 0 FEADMM O=S(=O)([N-]c1cccc(NS(=O)(=O)C2CC2)c1)c1ccccc1 ZINC000171335082 546204531 /nfs/dbraw/zinc/20/45/31/546204531.db2.gz NODSSIOQSRBYAL-UHFFFAOYSA-N -1 1 352.437 2.392 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](COC)c2ccc(C)o2)o1 ZINC000479234233 561185589 /nfs/dbraw/zinc/18/55/89/561185589.db2.gz BPGYIFGRIJXKJJ-LLVKDONJSA-N -1 1 357.384 2.024 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cn3cncn3)cc1)OCO2 ZINC000479265676 561186267 /nfs/dbraw/zinc/18/62/67/561186267.db2.gz JUGQPOAXJRYJJR-UHFFFAOYSA-N -1 1 372.406 2.164 20 0 FEADMM O=S(=O)([N-]Cc1noc(C2CC2)n1)c1sccc1Br ZINC000479545061 561191651 /nfs/dbraw/zinc/19/16/51/561191651.db2.gz USCNFIRXJKJJMI-UHFFFAOYSA-N -1 1 364.246 2.250 20 0 FEADMM Cc1[nH]nc2ncc(NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)cc12 ZINC000175427552 546310448 /nfs/dbraw/zinc/31/04/48/546310448.db2.gz OACDKPOYZPSMSH-UHFFFAOYSA-N -1 1 365.397 2.203 20 0 FEADMM CCC[C@H](OCC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000528902025 562352152 /nfs/dbraw/zinc/35/21/52/562352152.db2.gz MJYGYCCQRIYTQZ-INIZCTEOSA-N -1 1 370.471 2.320 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc[nH]c2C)c1 ZINC000176123431 546410867 /nfs/dbraw/zinc/41/08/67/546410867.db2.gz LOQHGACXQQCIPA-UHFFFAOYSA-N -1 1 351.428 2.312 20 0 FEADMM CCC[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000176779372 546486767 /nfs/dbraw/zinc/48/67/67/546486767.db2.gz RRKOGMQXZHYTHL-KBPBESRZSA-N -1 1 364.837 2.078 20 0 FEADMM CCC[C@@H](NC(=O)COc1ccccc1OCC(F)(F)F)c1nn[n-]n1 ZINC000177654593 546660702 /nfs/dbraw/zinc/66/07/02/546660702.db2.gz CSIYGSBDTNKGOK-SNVBAGLBSA-N -1 1 373.335 2.177 20 0 FEADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@H](C)c1cccc(OC)c1 ZINC000179295967 546927369 /nfs/dbraw/zinc/92/73/69/546927369.db2.gz BKVNMYQRPYIGPX-GFCCVEGCSA-N -1 1 366.439 2.420 20 0 FEADMM O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Br)c([O-])c1 ZINC000481878140 561244531 /nfs/dbraw/zinc/24/45/31/561244531.db2.gz APWKUPQNAZIPAD-UHFFFAOYSA-N -1 1 367.243 2.286 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000179538484 546973132 /nfs/dbraw/zinc/97/31/32/546973132.db2.gz FLWXHNWVSBOUJU-PWSUYJOCSA-N -1 1 368.361 2.060 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])Cc1cccc(F)c1 ZINC000179537742 546973481 /nfs/dbraw/zinc/97/34/81/546973481.db2.gz SVKINUHMBIFCEJ-LLVKDONJSA-N -1 1 366.414 2.386 20 0 FEADMM CO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000482231352 561250664 /nfs/dbraw/zinc/25/06/64/561250664.db2.gz WJKNCUIGBFDWTD-MRXNPFEDSA-N -1 1 360.435 2.348 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1CN1CCNC1=O ZINC000180533146 547125427 /nfs/dbraw/zinc/12/54/27/547125427.db2.gz FQYKAGHJRCAZAV-UHFFFAOYSA-N -1 1 363.414 2.460 20 0 FEADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000181097770 547249734 /nfs/dbraw/zinc/24/97/34/547249734.db2.gz XSKKOZCYUVJUSU-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)n2)cc1 ZINC000181132070 547255145 /nfs/dbraw/zinc/25/51/45/547255145.db2.gz DRWCQUJLNVWKMT-VHRNVKJDSA-N -1 1 370.453 2.332 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc(Br)ccc1Cl)c1nn[n-]n1 ZINC000183408722 547652715 /nfs/dbraw/zinc/65/27/15/547652715.db2.gz CBUZRNRNGWVFPG-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1nn[n-]n1 ZINC000183413724 547654603 /nfs/dbraw/zinc/65/46/03/547654603.db2.gz JAWJGFJWRHFHLF-SNVBAGLBSA-N -1 1 360.805 2.313 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1nn[n-]n1 ZINC000183429069 547657754 /nfs/dbraw/zinc/65/77/54/547657754.db2.gz KIPGYUJPZBYCQP-OASPWFOLSA-N -1 1 364.247 2.328 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cs1 ZINC000484561858 561300113 /nfs/dbraw/zinc/30/01/13/561300113.db2.gz XZKXQXMKQUVQGU-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000183996056 547750758 /nfs/dbraw/zinc/75/07/58/547750758.db2.gz QBKBKEFQUBIATB-ZBFHGGJFSA-N -1 1 360.458 2.241 20 0 FEADMM Cc1cc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)ccc1Cl ZINC000184707211 547868549 /nfs/dbraw/zinc/86/85/49/547868549.db2.gz GMKHHONMOYOXCR-UHFFFAOYSA-N -1 1 358.829 2.460 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c1F ZINC000184967207 547909357 /nfs/dbraw/zinc/90/93/57/547909357.db2.gz UKZXNQZBRJGMJB-ZDUSSCGKSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc(C(=O)[O-])c1Cl ZINC000184979858 547911297 /nfs/dbraw/zinc/91/12/97/547911297.db2.gz VLXSDSFRNWAZLH-GFCCVEGCSA-N -1 1 372.874 2.205 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1 ZINC000185651165 548014805 /nfs/dbraw/zinc/01/48/05/548014805.db2.gz MYCUJPJAZACJSI-HSZRJFAPSA-N -1 1 366.464 2.324 20 0 FEADMM Cn1ccnc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000485623297 561324355 /nfs/dbraw/zinc/32/43/55/561324355.db2.gz FMHQWQUKFHMYKQ-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM CC(C)CN1CCN(C(=O)c2ccc(Br)cc2[O-])CC1=O ZINC000186847853 548205746 /nfs/dbraw/zinc/20/57/46/548205746.db2.gz XWWLUZHWYRVYMF-UHFFFAOYSA-N -1 1 355.232 2.095 20 0 FEADMM O=C(NCC[N@H+]1CCCOCC1)c1cc(Cc2ccccc2)ccc1O ZINC000189366539 548302401 /nfs/dbraw/zinc/30/24/01/548302401.db2.gz JGWPLLSTICYJER-UHFFFAOYSA-N -1 1 354.450 2.435 20 0 FEADMM O=C(Nc1nncs1)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000194257067 548455350 /nfs/dbraw/zinc/45/53/50/548455350.db2.gz YWQXFAFNESKZPQ-UHFFFAOYSA-N -1 1 366.830 2.388 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1F ZINC000194609685 548505128 /nfs/dbraw/zinc/50/51/28/548505128.db2.gz ZEKGDFBIEZKBNL-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM CC(C)c1noc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)n1 ZINC000195130646 548582729 /nfs/dbraw/zinc/58/27/29/548582729.db2.gz FUCCWOQTUGUKQV-UHFFFAOYSA-N -1 1 351.363 2.091 20 0 FEADMM CC(C)c1noc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)n1 ZINC000195130646 548582733 /nfs/dbraw/zinc/58/27/33/548582733.db2.gz FUCCWOQTUGUKQV-UHFFFAOYSA-N -1 1 351.363 2.091 20 0 FEADMM CC(C)c1noc([C@@H](C)S(=O)(=O)c2nc(Cc3cccs3)n[n-]2)n1 ZINC000195158572 548587545 /nfs/dbraw/zinc/58/75/45/548587545.db2.gz VFAWPEYSHVRBFQ-SECBINFHSA-N -1 1 367.456 2.498 20 0 FEADMM CC(C)c1noc([C@@H](C)S(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000195158572 548587551 /nfs/dbraw/zinc/58/75/51/548587551.db2.gz VFAWPEYSHVRBFQ-SECBINFHSA-N -1 1 367.456 2.498 20 0 FEADMM CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195176094 548591039 /nfs/dbraw/zinc/59/10/39/548591039.db2.gz UYGYMHHQKHXDRM-UHFFFAOYSA-N -1 1 358.508 2.017 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc3ccccc3n2)c1 ZINC000486939245 561359853 /nfs/dbraw/zinc/35/98/53/561359853.db2.gz NQQPUNXCHLVNLX-UHFFFAOYSA-N -1 1 371.418 2.159 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)o1 ZINC000487160326 561365169 /nfs/dbraw/zinc/36/51/69/561365169.db2.gz XTXIMIAROUKGLE-IUODEOHRSA-N -1 1 359.444 2.186 20 0 FEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000219864409 548696238 /nfs/dbraw/zinc/69/62/38/548696238.db2.gz FFJBFHVZQOXLOB-APPZFPTMSA-N -1 1 369.668 2.343 20 0 FEADMM CCCCN(CCO)C(=O)c1cc(I)ccc1[O-] ZINC000221063278 548702117 /nfs/dbraw/zinc/70/21/17/548702117.db2.gz VNZZMSAJRBCUEO-UHFFFAOYSA-N -1 1 363.195 2.231 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000490027980 561424728 /nfs/dbraw/zinc/42/47/28/561424728.db2.gz DWVYRINAJUUQIC-OAHLLOKOSA-N -1 1 357.385 2.410 20 0 FEADMM O=C(c1ncccc1[O-])N(CCO)Cc1cccc(Br)c1 ZINC000490214181 561428793 /nfs/dbraw/zinc/42/87/93/561428793.db2.gz DPTBFCHZALAQIE-UHFFFAOYSA-N -1 1 351.200 2.184 20 0 FEADMM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1nc(COc3ccc(F)cc3)no1)C2 ZINC000262193881 549796879 /nfs/dbraw/zinc/79/68/79/549796879.db2.gz RJYXOLVGTDOQSI-KPZWWZAWSA-N -1 1 361.373 2.474 20 0 FEADMM CC(C)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC000490404363 561432383 /nfs/dbraw/zinc/43/23/83/561432383.db2.gz YLSYVNDMLAVPHP-MRXNPFEDSA-N -1 1 363.364 2.309 20 0 FEADMM CC(C)COc1ccc([C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000490537842 561434684 /nfs/dbraw/zinc/43/46/84/561434684.db2.gz CJEDBPCVVORMJZ-AWEZNQCLSA-N -1 1 371.437 2.429 20 0 FEADMM CCc1nc([C@@H](C)NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263513224 549906365 /nfs/dbraw/zinc/90/63/65/549906365.db2.gz ZNAWNICCLHVHDC-OCCSQVGLSA-N -1 1 359.430 2.203 20 0 FEADMM CCOc1cc(Cl)ccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000490743308 561437836 /nfs/dbraw/zinc/43/78/36/561437836.db2.gz FGAYJOKSJYDGIX-UHFFFAOYSA-N -1 1 370.814 2.344 20 0 FEADMM O=C(NCC1N=NC(=S)N1C1CC1)c1ccc(Br)cc1[O-] ZINC000264063488 549974393 /nfs/dbraw/zinc/97/43/93/549974393.db2.gz DJBSTUUVFWKFTF-UHFFFAOYSA-N -1 1 369.244 2.300 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@]1(C)CCCS1 ZINC000268312446 550048276 /nfs/dbraw/zinc/04/82/76/550048276.db2.gz XIGGMWWVNSZUIT-GOSISDBHSA-N -1 1 358.467 2.497 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1CCO ZINC000270531619 550280720 /nfs/dbraw/zinc/28/07/20/550280720.db2.gz UXBVASXRYBKHOP-MRXNPFEDSA-N -1 1 370.453 2.249 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000271848392 550405892 /nfs/dbraw/zinc/40/58/92/550405892.db2.gz IXJGUAXIRGITND-ZDUSSCGKSA-N -1 1 374.485 2.289 20 0 FEADMM Cc1ccc(C(F)(F)C(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000272401996 550444468 /nfs/dbraw/zinc/44/44/68/550444468.db2.gz AXKVWVXMPHYKKT-NSHDSACASA-N -1 1 350.287 2.366 20 0 FEADMM Cc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000272401994 550444558 /nfs/dbraw/zinc/44/45/58/550444558.db2.gz AXKVWVXMPHYKKT-LLVKDONJSA-N -1 1 350.287 2.366 20 0 FEADMM COC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)OC ZINC000272705121 550466344 /nfs/dbraw/zinc/46/63/44/550466344.db2.gz UARGQAHCCQNOQT-QMMMGPOBSA-N -1 1 361.769 2.299 20 0 FEADMM Cc1nc(CCC(=O)N(C)C[C@H](C)c2nn[n-]n2)oc1-c1ccccc1 ZINC000273498278 550500633 /nfs/dbraw/zinc/50/06/33/550500633.db2.gz LTKYZTBFIPGXOA-LBPRGKRZSA-N -1 1 354.414 2.358 20 0 FEADMM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000494603259 561472430 /nfs/dbraw/zinc/47/24/30/561472430.db2.gz NVWDOMPPDGKIIU-UHFFFAOYSA-N -1 1 352.362 2.414 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nn[n-]n1 ZINC000274782999 550554227 /nfs/dbraw/zinc/55/42/27/550554227.db2.gz OJRJZKZTMMFTEO-LBPRGKRZSA-N -1 1 351.414 2.139 20 0 FEADMM CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000274910980 550563954 /nfs/dbraw/zinc/56/39/54/550563954.db2.gz KOJATJJLIXBPDW-OAHLLOKOSA-N -1 1 365.455 2.072 20 0 FEADMM O=c1[nH]c(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nc2n[nH]cc21 ZINC000277272413 550650308 /nfs/dbraw/zinc/65/03/08/550650308.db2.gz YBYVNIGIWMUARL-CYBMUJFWSA-N -1 1 356.455 2.088 20 0 FEADMM O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1cncc([O-])c1 ZINC000277304140 550654012 /nfs/dbraw/zinc/65/40/12/550654012.db2.gz PJCHPECLRJAQIA-GFCCVEGCSA-N -1 1 365.227 2.131 20 0 FEADMM CC(C)(C)S(=O)(=O)N1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000277594163 550689369 /nfs/dbraw/zinc/68/93/69/550689369.db2.gz NTPCYCGKAYIMMR-UHFFFAOYSA-N -1 1 374.890 2.368 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(O)C3)cc2)cc1C ZINC000277696624 550702963 /nfs/dbraw/zinc/70/29/63/550702963.db2.gz HLSZTBIJRRUSRX-UHFFFAOYSA-N -1 1 374.462 2.311 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(Cl)n3)CC2)n1 ZINC000277791685 550714476 /nfs/dbraw/zinc/71/44/76/550714476.db2.gz SOJCERMCLRYKDS-UHFFFAOYSA-N -1 1 363.805 2.050 20 0 FEADMM CCOc1cc(-c2nc(CC(=O)N[C@H](C)COC)no2)cc(Cl)c1[O-] ZINC000277808480 550716426 /nfs/dbraw/zinc/71/64/26/550716426.db2.gz GLUZSSHXRFNEDR-SECBINFHSA-N -1 1 369.805 2.188 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)c1ccc(C)o1 ZINC000277933592 550730540 /nfs/dbraw/zinc/73/05/40/550730540.db2.gz RANGUXNSGIFLPK-AWEZNQCLSA-N -1 1 371.386 2.180 20 0 FEADMM [O-]c1ccc(-c2noc(CN3CCN(c4ccccn4)CC3)n2)c(F)c1 ZINC000278138451 550753388 /nfs/dbraw/zinc/75/33/88/550753388.db2.gz KZERNEBOMAJGMS-UHFFFAOYSA-N -1 1 355.373 2.299 20 0 FEADMM CCc1c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)onc1C(F)(F)F ZINC000278580041 550800869 /nfs/dbraw/zinc/80/08/69/550800869.db2.gz JIZNHDOTIVFYCA-UHFFFAOYSA-N -1 1 367.305 2.009 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@@H](C(C)(C)C)C2)c(=O)[n-]1 ZINC000279336133 550879011 /nfs/dbraw/zinc/87/90/11/550879011.db2.gz NUHADWYRIIZRBL-CYBMUJFWSA-N -1 1 353.488 2.419 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279745179 550924375 /nfs/dbraw/zinc/92/43/75/550924375.db2.gz KPYJJYODKZPBLV-GFCCVEGCSA-N -1 1 363.458 2.198 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2C[C@H](C)O)c(=O)[n-]1 ZINC000279940880 550945013 /nfs/dbraw/zinc/94/50/13/550945013.db2.gz XDINHMITEAUBBR-AAEUAGOBSA-N -1 1 353.488 2.297 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc(Cl)c1[O-] ZINC000280699157 551022869 /nfs/dbraw/zinc/02/28/69/551022869.db2.gz XCODOUNRTCWKJD-DIFFPNOSSA-N -1 1 355.818 2.464 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)C2(S(C)(=O)=O)CCC2)c1 ZINC000281395949 551091820 /nfs/dbraw/zinc/09/18/20/551091820.db2.gz ZGJRTVFEJUQLCH-UHFFFAOYSA-N -1 1 362.245 2.369 20 0 FEADMM Cc1occc1C(=O)NC1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1 ZINC000281989002 551166553 /nfs/dbraw/zinc/16/65/53/551166553.db2.gz CIKSFXRKVDCFAB-UHFFFAOYSA-N -1 1 371.372 2.033 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCCC12CCOCC2 ZINC000282359212 551217250 /nfs/dbraw/zinc/21/72/50/551217250.db2.gz FNRPEDSNADPOKD-INIZCTEOSA-N -1 1 372.469 2.450 20 0 FEADMM NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000497565902 561504032 /nfs/dbraw/zinc/50/40/32/561504032.db2.gz FMFZUGPPVVRNHG-UHFFFAOYSA-N -1 1 359.329 2.073 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnn(C3CCOCC3)c2C)c1 ZINC000282743956 551265727 /nfs/dbraw/zinc/26/57/27/551265727.db2.gz JBABJPCENJXHBB-UHFFFAOYSA-N -1 1 359.382 2.288 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282808390 551272464 /nfs/dbraw/zinc/27/24/64/551272464.db2.gz BDCOSXKIUDZKBJ-NXEZZACHSA-N -1 1 368.796 2.064 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000283002307 551295887 /nfs/dbraw/zinc/29/58/87/551295887.db2.gz KSBCFMGRJHMEIF-CQSZACIVSA-N -1 1 362.426 2.481 20 0 FEADMM Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283013016 551298087 /nfs/dbraw/zinc/29/80/87/551298087.db2.gz WPBFQJUDTYJYBN-SNVBAGLBSA-N -1 1 365.231 2.189 20 0 FEADMM COc1ccc(OC)c2c1CN(C(=O)c1c(F)ccc([O-])c1F)C[C@@H]2O ZINC000283124465 551315181 /nfs/dbraw/zinc/31/51/81/551315181.db2.gz ZDIIWRAEKOZNOB-LBPRGKRZSA-N -1 1 365.332 2.377 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CSC1(C)C ZINC000283438177 551366375 /nfs/dbraw/zinc/36/63/75/551366375.db2.gz SXMVJOTYYALVKO-CQSZACIVSA-N -1 1 358.467 2.495 20 0 FEADMM CCc1ccc2c(C[N@@H+]3CCC[C@H](c4n[nH]c(=O)o4)C3)cc(=O)oc2c1 ZINC000284411522 551543528 /nfs/dbraw/zinc/54/35/28/551543528.db2.gz XFEYMZSIOCAUQL-ZDUSSCGKSA-N -1 1 355.394 2.411 20 0 FEADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1S(=O)(=O)NC(C)(C)C ZINC000284417629 551544863 /nfs/dbraw/zinc/54/48/63/551544863.db2.gz RZYDIXJXDYKZHV-UHFFFAOYSA-N -1 1 363.439 2.425 20 0 FEADMM C[C@@H](NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1Cl ZINC000284432199 551547982 /nfs/dbraw/zinc/54/79/82/551547982.db2.gz YQMDVPAZAPWHRX-VXGBXAGGSA-N -1 1 364.833 2.073 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000284671850 551603960 /nfs/dbraw/zinc/60/39/60/551603960.db2.gz NHQRITGHGOSXKT-UHFFFAOYSA-N -1 1 350.322 2.005 20 0 FEADMM O=C(NCCn1cccn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498600603 561530051 /nfs/dbraw/zinc/53/00/51/561530051.db2.gz JZCHWABOIQVSOH-UHFFFAOYSA-N -1 1 370.434 2.114 20 0 FEADMM CC(C)n1cc(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)cn1 ZINC000285176261 551716024 /nfs/dbraw/zinc/71/60/24/551716024.db2.gz UKFWWOOWBCNZSM-UHFFFAOYSA-N -1 1 364.406 2.113 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000285431399 551755567 /nfs/dbraw/zinc/75/55/67/551755567.db2.gz LQNKIDDVBABZBV-UHFFFAOYSA-N -1 1 354.472 2.190 20 0 FEADMM C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cncc([O-])c3)c2)C1=O ZINC000285657371 551790549 /nfs/dbraw/zinc/79/05/49/551790549.db2.gz CRPFXTFJZYGCHY-LJQANCHMSA-N -1 1 366.377 2.264 20 0 FEADMM C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])NC(=O)NC1=O ZINC000286102633 551849115 /nfs/dbraw/zinc/84/91/15/551849115.db2.gz FKRFGEALGKKYSQ-XCLFUZPHSA-N -1 1 367.405 2.138 20 0 FEADMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287149757 551969686 /nfs/dbraw/zinc/96/96/86/551969686.db2.gz LTTFCXVCGIUGOY-KSLDNOEBSA-N -1 1 357.389 2.379 20 0 FEADMM CCC[C@@]1(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCOC1 ZINC000287334131 551991032 /nfs/dbraw/zinc/99/10/32/551991032.db2.gz YIDVUUOKWWNSDJ-MRXNPFEDSA-N -1 1 371.459 2.147 20 0 FEADMM NC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000287414341 552001295 /nfs/dbraw/zinc/00/12/95/552001295.db2.gz LSBSXKSARLAXQB-ZETCQYMHSA-N -1 1 372.299 2.124 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCCc3csc(C(C)(C)C)n3)ccnc1-2 ZINC000287759720 552043105 /nfs/dbraw/zinc/04/31/05/552043105.db2.gz VNXBWRGLVKOXFS-XKZIYDEJSA-N -1 1 358.471 2.460 20 0 FEADMM COc1ccccc1C[C@@H](C)N(C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287814091 552050240 /nfs/dbraw/zinc/05/02/40/552050240.db2.gz YPKMHIPKGZHJOI-GTMGWDBPSA-N -1 1 353.426 2.445 20 0 FEADMM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)cn1C ZINC000288543491 552172290 /nfs/dbraw/zinc/17/22/90/552172290.db2.gz YCHMQOOANXKOQF-UHFFFAOYSA-N -1 1 364.423 2.189 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(OC)c1 ZINC000288676984 552196586 /nfs/dbraw/zinc/19/65/86/552196586.db2.gz UBDHAFLLGMWCMG-GFCCVEGCSA-N -1 1 367.345 2.101 20 0 FEADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)Cc2ccc(C)cc2)(C(=O)OC)C1(C)C ZINC000289170238 552276820 /nfs/dbraw/zinc/27/68/20/552276820.db2.gz MLBVGRWWBJRVCD-QAPCUYQASA-N -1 1 369.483 2.161 20 0 FEADMM CCOC(=O)[C@@H](c1cccc(Cl)c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289390883 552313453 /nfs/dbraw/zinc/31/34/53/552313453.db2.gz KAHSUXOQJCIUDN-CQSZACIVSA-N -1 1 364.833 2.235 20 0 FEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000289420475 552318581 /nfs/dbraw/zinc/31/85/81/552318581.db2.gz BVZOIELTQUOBKK-QMMMGPOBSA-N -1 1 363.798 2.438 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)no1 ZINC000289426613 552319592 /nfs/dbraw/zinc/31/95/92/552319592.db2.gz CKYLGSYIGPBNBX-SECBINFHSA-N -1 1 361.370 2.232 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1OC ZINC000500492698 561574929 /nfs/dbraw/zinc/57/49/29/561574929.db2.gz WXXYRIGLYSUXKB-UHFFFAOYSA-N -1 1 367.427 2.204 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@@H](O)C1 ZINC000289658959 552357797 /nfs/dbraw/zinc/35/77/97/552357797.db2.gz XSQRNIREAJJCMN-SECBINFHSA-N -1 1 351.200 2.300 20 0 FEADMM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000289778465 552376922 /nfs/dbraw/zinc/37/69/22/552376922.db2.gz LDCZUUJILNMHFY-SECBINFHSA-N -1 1 351.255 2.140 20 0 FEADMM CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1C1CC1 ZINC000289796163 552379933 /nfs/dbraw/zinc/37/99/33/552379933.db2.gz YBDUMXSAANZUJW-DGCLKSJQSA-N -1 1 358.446 2.163 20 0 FEADMM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500575413 561577369 /nfs/dbraw/zinc/57/73/69/561577369.db2.gz HHUSIRUQQDAILI-LBPRGKRZSA-N -1 1 366.443 2.128 20 0 FEADMM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500575413 561577370 /nfs/dbraw/zinc/57/73/70/561577370.db2.gz HHUSIRUQQDAILI-LBPRGKRZSA-N -1 1 366.443 2.128 20 0 FEADMM COCC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccco1 ZINC000290009077 552413325 /nfs/dbraw/zinc/41/33/25/552413325.db2.gz XJANECQTTMINSR-LBPRGKRZSA-N -1 1 371.411 2.332 20 0 FEADMM O=C(Cc1ccc(F)cc1F)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290264883 552450786 /nfs/dbraw/zinc/45/07/86/552450786.db2.gz BEPGFMPKZLTJQX-SNVBAGLBSA-N -1 1 364.314 2.424 20 0 FEADMM COc1ccccc1CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290815866 552542771 /nfs/dbraw/zinc/54/27/71/552542771.db2.gz RVLSBSUEZBFEMU-GFCCVEGCSA-N -1 1 373.375 2.295 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(Br)c1)c1nn[n-]n1 ZINC000291617629 552643869 /nfs/dbraw/zinc/64/38/69/552643869.db2.gz GPDARCJJUHWZEW-UWVGGRQHSA-N -1 1 352.236 2.328 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cnn1C ZINC000291989841 552682234 /nfs/dbraw/zinc/68/22/34/552682234.db2.gz WGXJNEGYYUISJK-UHFFFAOYSA-N -1 1 368.846 2.310 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cn(C)nc2C(C)C)CCCCC1 ZINC000292000429 552683169 /nfs/dbraw/zinc/68/31/69/552683169.db2.gz XLHFSGSCOJRUBO-UHFFFAOYSA-N -1 1 357.476 2.409 20 0 FEADMM CCc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1O ZINC000292188269 552702872 /nfs/dbraw/zinc/70/28/72/552702872.db2.gz YTHJSSHUUCAGAM-NSHDSACASA-N -1 1 358.360 2.485 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)(C)C(F)(F)F)c1 ZINC000292398319 552723067 /nfs/dbraw/zinc/72/30/67/552723067.db2.gz ZTQZVIGIGYMMIZ-UHFFFAOYSA-N -1 1 354.350 2.217 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cn2ccccc2n1 ZINC000292570066 552738999 /nfs/dbraw/zinc/73/89/99/552738999.db2.gz OKGSTGBZTOCYLL-GHMZBOCLSA-N -1 1 354.332 2.006 20 0 FEADMM COCc1nc([C@H]2CCCCN2C(=O)c2s[n-]c(=O)c2Cl)n[nH]1 ZINC000292851314 552764918 /nfs/dbraw/zinc/76/49/18/552764918.db2.gz XYSNRMJUMVTIIK-SSDOTTSWSA-N -1 1 357.823 2.134 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c(C(F)(F)F)n1 ZINC000293005359 552779600 /nfs/dbraw/zinc/77/96/00/552779600.db2.gz HAONOODRJFHLBM-SNVBAGLBSA-N -1 1 359.329 2.045 20 0 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353.400 2.178 20 0 FEADMM C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1=O ZINC000505435404 561671048 /nfs/dbraw/zinc/67/10/48/561671048.db2.gz VIYYIKUDXXYKSP-WFASDCNBSA-N -1 1 357.385 2.408 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCCNC(=O)c3ccccc3)cnc2n1 ZINC000505527636 561673222 /nfs/dbraw/zinc/67/32/22/561673222.db2.gz MAYHLCKLDFYUQS-UHFFFAOYSA-N -1 1 364.405 2.194 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCCNC(=O)c1ccccc1)c2=O ZINC000505527636 561673223 /nfs/dbraw/zinc/67/32/23/561673223.db2.gz MAYHLCKLDFYUQS-UHFFFAOYSA-N -1 1 364.405 2.194 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000320734865 553765722 /nfs/dbraw/zinc/76/57/22/553765722.db2.gz OHMAZESDWOVTBP-UHFFFAOYSA-N -1 1 374.827 2.308 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000324237122 553771547 /nfs/dbraw/zinc/77/15/47/553771547.db2.gz AEVSAEMWJVIVBL-OAHLLOKOSA-N -1 1 353.371 2.027 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000324489896 553772725 /nfs/dbraw/zinc/77/27/25/553772725.db2.gz OGNLRYKBGXUHMA-SGMGOOAPSA-N -1 1 357.476 2.326 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)C ZINC000324600421 553772981 /nfs/dbraw/zinc/77/29/81/553772981.db2.gz HJCITTMIWUOQPN-AWEZNQCLSA-N -1 1 351.428 2.262 20 0 FEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000326218130 553779634 /nfs/dbraw/zinc/77/96/34/553779634.db2.gz SGEOMCMKZHVRDR-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000326587254 553781753 /nfs/dbraw/zinc/78/17/53/553781753.db2.gz CEXOGZPIVPQGNB-UHFFFAOYSA-N -1 1 368.798 2.199 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000328033921 553792962 /nfs/dbraw/zinc/79/29/62/553792962.db2.gz DCOHNHBTKYZZCI-UHFFFAOYSA-N -1 1 365.363 2.068 20 0 FEADMM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1nc(C)c(C)s1)C2 ZINC000329166265 553893382 /nfs/dbraw/zinc/89/33/82/553893382.db2.gz HQQMOZJUKOIMOK-LBPRGKRZSA-N -1 1 354.453 2.051 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000329211399 553903087 /nfs/dbraw/zinc/90/30/87/553903087.db2.gz ZDUBPZNLRZPXDS-ABAIWWIYSA-N -1 1 365.405 2.944 20 0 FEADMM COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000329567328 553968590 /nfs/dbraw/zinc/96/85/90/553968590.db2.gz HTLPRQJGTPDKJP-LBPRGKRZSA-N -1 1 350.850 2.225 20 0 FEADMM O=S(=O)([N-][C@H](C1CCCC1)C(F)(F)F)c1cnn([C@H]2CCOC2)c1 ZINC000329612685 553976560 /nfs/dbraw/zinc/97/65/60/553976560.db2.gz CNNMHZIMLOIGJU-WCQYABFASA-N -1 1 367.393 2.244 20 0 FEADMM Cc1ccc(F)c(N2CCC[C@@H](N3CCC(c4n[nH]c(=O)[n-]4)CC3)C2=O)c1 ZINC000329657241 553983503 /nfs/dbraw/zinc/98/35/03/553983503.db2.gz NCNDNHPTZUMSOQ-OAHLLOKOSA-N -1 1 373.432 2.333 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)NCCOC)c1 ZINC000507646300 561736645 /nfs/dbraw/zinc/73/66/45/561736645.db2.gz WLJGKAFBPFXDER-UHFFFAOYSA-N -1 1 362.451 2.426 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000330912146 554186981 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Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCN(C)[C@H](C)[C@@H]3C)s2)cc1 ZINC000331580340 554288496 /nfs/dbraw/zinc/28/84/96/554288496.db2.gz NGXSJXKDNTYTQZ-KGLIPLIRSA-N -1 1 359.499 2.994 20 0 FEADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806830 554323444 /nfs/dbraw/zinc/32/34/44/554323444.db2.gz TVARHSNLCTZMTE-LERXQTSPSA-N -1 1 372.487 2.146 20 0 FEADMM CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509263918 561792705 /nfs/dbraw/zinc/79/27/05/561792705.db2.gz OGOCAXFVGNQFRG-UHFFFAOYSA-N -1 1 370.409 2.168 20 0 FEADMM CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509415014 561798594 /nfs/dbraw/zinc/79/85/94/561798594.db2.gz HWBAULFSEUVBPG-SECBINFHSA-N -1 1 370.254 2.483 20 0 FEADMM Cc1ccc(S[C@H](C)C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000331935795 554348692 /nfs/dbraw/zinc/34/86/92/554348692.db2.gz QIQUOMZGGKBFJL-GFCCVEGCSA-N -1 1 363.512 2.258 20 0 FEADMM CO[C@H](C)c1nc(=NC2CCC(C(=O)N3CCSCC3)CC2)s[n-]1 ZINC000509651149 561809049 /nfs/dbraw/zinc/80/90/49/561809049.db2.gz HPGXYNFPHRGTJC-PNESKVBLSA-N -1 1 370.544 2.214 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccn3c(=O)[nH]nc23)c1 ZINC000509500137 561802640 /nfs/dbraw/zinc/80/26/40/561802640.db2.gz YINCUNOFNGJNIE-UHFFFAOYSA-N -1 1 363.171 2.464 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(O)cc(OC)c1 ZINC000509523818 561803697 /nfs/dbraw/zinc/80/36/97/561803697.db2.gz UPKPLDUYSSBTOH-UHFFFAOYSA-N -1 1 350.396 2.415 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1 ZINC000509650750 561808634 /nfs/dbraw/zinc/80/86/34/561808634.db2.gz KMCIZWCZLCPRMX-UHFFFAOYSA-N -1 1 359.411 2.036 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)C3(S(C)(=O)=O)CCCC3)[nH][n-]2)c1 ZINC000332222642 554404025 /nfs/dbraw/zinc/40/40/25/554404025.db2.gz YTOUPCNSOJCDAO-UHFFFAOYSA-N -1 1 365.430 2.820 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000509854071 561816194 /nfs/dbraw/zinc/81/61/94/561816194.db2.gz XPNXRJWEPADPOP-UHFFFAOYSA-N -1 1 367.327 2.222 20 0 FEADMM CC[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509926087 561818869 /nfs/dbraw/zinc/81/88/69/561818869.db2.gz MCLUZLCHBGKSKH-VIFPVBQESA-N -1 1 370.254 2.219 20 0 FEADMM CCN(CC)C(=O)C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000332492198 554455692 /nfs/dbraw/zinc/45/56/92/554455692.db2.gz AWRWOOYXZYSWCH-UHFFFAOYSA-N -1 1 370.453 2.364 20 0 FEADMM CCN(CC)C(=O)C1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000332492198 554455696 /nfs/dbraw/zinc/45/56/96/554455696.db2.gz AWRWOOYXZYSWCH-UHFFFAOYSA-N -1 1 370.453 2.364 20 0 FEADMM Cc1cnc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c([O-])c1 ZINC000332551550 554469986 /nfs/dbraw/zinc/46/99/86/554469986.db2.gz KNMZWSSGOMLIQI-UHFFFAOYSA-N -1 1 353.422 2.439 20 0 FEADMM CC(C)CO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000332705808 554500393 /nfs/dbraw/zinc/50/03/93/554500393.db2.gz OACXBAAPXAADEJ-ZDUSSCGKSA-N -1 1 372.487 2.244 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCNC(=O)CC2CCCCC2)sc1C ZINC000333295560 554600031 /nfs/dbraw/zinc/60/00/31/554600031.db2.gz SCCXBJGPHMBMMN-UHFFFAOYSA-N -1 1 359.517 2.125 20 0 FEADMM Cc1nnc([C@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)[nH]1 ZINC000334000603 554666632 /nfs/dbraw/zinc/66/66/32/554666632.db2.gz RKVJAKFJEUKECQ-VIFPVBQESA-N -1 1 351.204 2.211 20 0 FEADMM CN(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000349791787 554742973 /nfs/dbraw/zinc/74/29/73/554742973.db2.gz HYMPRIMGAAWFDU-UHFFFAOYSA-N -1 1 364.452 2.343 20 0 FEADMM Cc1cc(-c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)ccn1 ZINC000350548972 554797021 /nfs/dbraw/zinc/79/70/21/554797021.db2.gz HEGJOZPKBYUHIZ-UHFFFAOYSA-N -1 1 360.377 2.485 20 0 FEADMM NS(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(F)c1 ZINC000350614621 554802608 /nfs/dbraw/zinc/80/26/08/554802608.db2.gz VRPIECJSOAMDOD-UHFFFAOYSA-N -1 1 353.306 2.035 20 0 FEADMM Cc1oc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1S(N)(=O)=O ZINC000350818349 554816138 /nfs/dbraw/zinc/81/61/38/554816138.db2.gz VXNJXTRKHIYYRM-UHFFFAOYSA-N -1 1 355.759 2.311 20 0 FEADMM O=C1CNC(=O)N1Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350824024 554816431 /nfs/dbraw/zinc/81/64/31/554816431.db2.gz OCLPDYDQHTUKOM-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM O=S(=O)(NCc1nc(-c2ccc([O-])c(F)c2)no1)c1cccs1 ZINC000350830600 554816772 /nfs/dbraw/zinc/81/67/72/554816772.db2.gz DRWJCCURHFAINS-UHFFFAOYSA-N -1 1 355.372 2.121 20 0 FEADMM CNC(=O)COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000350842735 554817383 /nfs/dbraw/zinc/81/73/83/554817383.db2.gz ZFDNOONHLFVYQR-UHFFFAOYSA-N -1 1 373.340 2.382 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1C ZINC000361082318 554903091 /nfs/dbraw/zinc/90/30/91/554903091.db2.gz BLPMSCQVZNIMLC-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nn1cnc2ccccc21 ZINC000363002841 555007326 /nfs/dbraw/zinc/00/73/26/555007326.db2.gz AWBWLJBMHINCHZ-UHFFFAOYSA-N -1 1 360.377 2.215 20 0 FEADMM Cc1cc(C)n([C@@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000511903461 561885040 /nfs/dbraw/zinc/88/50/40/561885040.db2.gz AYRDDSGWAFYLCZ-LBPRGKRZSA-N -1 1 356.430 2.133 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000511986851 561888158 /nfs/dbraw/zinc/88/81/58/561888158.db2.gz ZCWVHJYFYMGRLD-INIZCTEOSA-N -1 1 352.394 2.490 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000363755164 555179037 /nfs/dbraw/zinc/17/90/37/555179037.db2.gz DHLUHPKHVAEMNG-ZIAGYGMSSA-N -1 1 361.423 2.204 20 0 FEADMM CCC[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nn[n-]n1 ZINC000363967970 555223487 /nfs/dbraw/zinc/22/34/87/555223487.db2.gz NSQFOWRCRYXKHZ-OAHLLOKOSA-N -1 1 371.445 2.101 20 0 FEADMM COc1cc(CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C2CC2)ccc1O ZINC000512185221 561895004 /nfs/dbraw/zinc/89/50/04/561895004.db2.gz PWPODTWHAQUMGL-UHFFFAOYSA-N -1 1 368.393 2.193 20 0 FEADMM NC(=O)c1ccccc1N1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000364227363 555274004 /nfs/dbraw/zinc/27/40/04/555274004.db2.gz WQHRXCSGWIYOSL-ZDUSSCGKSA-N -1 1 357.385 2.029 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CCCOCC2)nc1 ZINC000364334684 555293536 /nfs/dbraw/zinc/29/35/36/555293536.db2.gz ANSNZDBBORNTCP-UHFFFAOYSA-N -1 1 369.393 2.387 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000512583264 561909653 /nfs/dbraw/zinc/90/96/53/561909653.db2.gz RRABFYNPTSXKLP-HNNXBMFYSA-N -1 1 374.828 2.097 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000364944707 555446099 /nfs/dbraw/zinc/44/60/99/555446099.db2.gz HCZZCJQJPHJCDN-NSHDSACASA-N -1 1 363.801 2.755 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)cnc2n1 ZINC000365597663 555618723 /nfs/dbraw/zinc/61/87/23/555618723.db2.gz QGOJTVHXYWKWRI-JMERFSKESA-N -1 1 357.410 2.052 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@@]3(CCO[C@H]3C)C1)c2=O ZINC000365597663 555618727 /nfs/dbraw/zinc/61/87/27/555618727.db2.gz QGOJTVHXYWKWRI-JMERFSKESA-N -1 1 357.410 2.052 20 0 FEADMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)ns1 ZINC000365627456 555626114 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CN(Cc1ccc(Br)o1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806481400 674378541 /nfs/dbraw/zinc/37/85/41/674378541.db2.gz LGFMBVOBGRPJOD-UHFFFAOYSA-N -1 1 364.203 2.361 20 0 FEADMM COc1ccc([C@H](CNC(=O)CSCC(=O)[O-])N2CCCCC2)cc1 ZINC000514621747 561970349 /nfs/dbraw/zinc/97/03/49/561970349.db2.gz USRBZTBONDCROA-INIZCTEOSA-N -1 1 366.483 2.156 20 0 FEADMM O=C(NC1(c2noc(C(F)F)n2)CCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000368169341 556236112 /nfs/dbraw/zinc/23/61/12/556236112.db2.gz XUXMYHFAAJWDOU-UHFFFAOYSA-N -1 1 361.308 2.053 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368170440 556236592 /nfs/dbraw/zinc/23/65/92/556236592.db2.gz FEQPSOWXLGXAEG-NRFANRHFSA-N -1 1 363.417 2.437 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1COc2ccccc21 ZINC000368500778 556327730 /nfs/dbraw/zinc/32/77/30/556327730.db2.gz DWDKJRAJFWUTRK-IAQYHMDHSA-N -1 1 373.775 2.374 20 0 FEADMM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n[n-]1 ZINC000368796603 556415477 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FEADMM COc1ccc(CCNC(=O)N=c2ccnc3n(C)[n-]cc2-3)c(Cl)c1 ZINC000806486979 674378832 /nfs/dbraw/zinc/37/88/32/674378832.db2.gz MLPSTIRVOPOVSM-UHFFFAOYSA-N -1 1 359.817 2.368 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)o1 ZINC000370115699 556785621 /nfs/dbraw/zinc/78/56/21/556785621.db2.gz YFFDCLUODAFYDH-KRWDZBQOSA-N -1 1 366.414 2.131 20 0 FEADMM CCn1cc(NC(=O)C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cn1 ZINC000370258392 556823163 /nfs/dbraw/zinc/82/31/63/556823163.db2.gz BEHIKDKEKVNSOO-UHFFFAOYSA-N -1 1 360.389 2.239 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000370471055 556882623 /nfs/dbraw/zinc/88/26/23/556882623.db2.gz SPZYIZTYCODQJL-GFCCVEGCSA-N -1 1 370.457 2.180 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2Cc2ccccn2)c1 ZINC000370588328 556915405 /nfs/dbraw/zinc/91/54/05/556915405.db2.gz KFCNXVFQJLPXEA-MRXNPFEDSA-N -1 1 355.394 2.177 20 0 FEADMM COC(=O)c1c[n-]c(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)n1 ZINC000370605837 556920280 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562108190 /nfs/dbraw/zinc/10/81/90/562108190.db2.gz ASWUFZNAFRUWLW-HNNXBMFYSA-N -1 1 371.418 2.258 20 0 FEADMM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nc(CC(F)(F)F)no2)C1 ZINC000518548874 562114080 /nfs/dbraw/zinc/11/40/80/562114080.db2.gz LUSUEZUREHEWTB-OAHLLOKOSA-N -1 1 355.316 2.403 20 0 FEADMM CC(C)OC[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCO1 ZINC000372182752 557401597 /nfs/dbraw/zinc/40/15/97/557401597.db2.gz VWWCHDKJXZVZQV-GFCCVEGCSA-N -1 1 358.232 2.421 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)co1 ZINC000372199207 557407540 /nfs/dbraw/zinc/40/75/40/557407540.db2.gz MCJLFJFHDRREAJ-UHFFFAOYSA-N -1 1 374.422 2.447 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cs1 ZINC000372209305 557409985 /nfs/dbraw/zinc/40/99/85/557409985.db2.gz AWCFKSMRVROIIZ-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM CCN1C(=O)N=NC1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000372329935 557442060 /nfs/dbraw/zinc/44/20/60/557442060.db2.gz DNFPXPJUKUWZOT-UHFFFAOYSA-N -1 1 350.806 2.382 20 0 FEADMM CCCCc1n[n-]c(=NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000372512204 557489452 /nfs/dbraw/zinc/48/94/52/557489452.db2.gz KNCRJCHXIXDVDZ-ZDUSSCGKSA-N -1 1 357.443 2.910 20 0 FEADMM O=S(=O)([N-][C@H](c1nc[nH]n1)c1ccccc1)c1cc(F)c(F)cc1F ZINC000372591661 557514462 /nfs/dbraw/zinc/51/44/62/557514462.db2.gz HWPMMIYAJKEWRK-AWEZNQCLSA-N -1 1 368.340 2.290 20 0 FEADMM O=S(=O)([N-][C@@H](c1nc[nH]n1)c1ccccc1)c1cc(F)ccc1F ZINC000372594021 557515380 /nfs/dbraw/zinc/51/53/80/557515380.db2.gz MGYRGUJEGMQGDF-CQSZACIVSA-N -1 1 350.350 2.151 20 0 FEADMM O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372731844 557548951 /nfs/dbraw/zinc/54/89/51/557548951.db2.gz YFSPPLUGKAIFHK-SNVBAGLBSA-N -1 1 360.468 2.333 20 0 FEADMM O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ncccc1[O-] ZINC000372897426 557584484 /nfs/dbraw/zinc/58/44/84/557584484.db2.gz ZDLOJSTZOHXUGZ-UHFFFAOYSA-N -1 1 351.410 2.058 20 0 FEADMM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000519724831 562141578 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C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)co1 ZINC000374304952 557862368 /nfs/dbraw/zinc/86/23/68/557862368.db2.gz DXKTVWYSBWSYDL-KRWDZBQOSA-N -1 1 366.414 2.207 20 0 FEADMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2ncc(Cl)cc2Cl)C1 ZINC000521323429 562174317 /nfs/dbraw/zinc/17/43/17/562174317.db2.gz RFWCPFNXOOTTML-LLVKDONJSA-N -1 1 369.256 2.177 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1 ZINC000521514473 562177785 /nfs/dbraw/zinc/17/77/85/562177785.db2.gz ZZRVWNCLPJBARN-UHFFFAOYSA-N -1 1 374.422 2.203 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375579394 558051898 /nfs/dbraw/zinc/05/18/98/558051898.db2.gz VIZAZCNTTULCPY-BXUZGUMPSA-N -1 1 372.874 2.061 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)C(C)(C)C ZINC000521537948 562178370 /nfs/dbraw/zinc/17/83/70/562178370.db2.gz MKSSXIBESMYPOO-OAHLLOKOSA-N -1 1 364.490 2.201 20 0 FEADMM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)s1 ZINC000375948645 558104043 /nfs/dbraw/zinc/10/40/43/558104043.db2.gz PMAJDMJXIIOLTA-UHFFFAOYSA-N -1 1 374.474 2.921 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3)ccnc1-2 ZINC000376633488 558200510 /nfs/dbraw/zinc/20/05/10/558200510.db2.gz UXTAFMOIICJLKJ-AKVJFXEFSA-N -1 1 370.844 2.396 20 0 FEADMM Cn1cc(-c2ccccc2CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cn1 ZINC000376672100 558206185 /nfs/dbraw/zinc/20/61/85/558206185.db2.gz LKMHFDKQTPZZFL-ULJHMMPZSA-N -1 1 361.409 2.064 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCCN3)o1 ZINC000376745874 558216254 /nfs/dbraw/zinc/21/62/54/558216254.db2.gz JTQUUGNZJKUMFP-UHFFFAOYSA-N -1 1 364.423 2.293 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)o1 ZINC000377101904 558266615 /nfs/dbraw/zinc/26/66/15/558266615.db2.gz VTXMZJLXZVHHGO-CYBMUJFWSA-N -1 1 354.453 2.473 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)cc1 ZINC000522599922 562200250 /nfs/dbraw/zinc/20/02/50/562200250.db2.gz VZUBYOVKKQRXAH-UHFFFAOYSA-N -1 1 362.407 2.121 20 0 FEADMM COc1ccc([C@H]2CCCN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1C ZINC000377897732 558443781 /nfs/dbraw/zinc/44/37/81/558443781.db2.gz CINJDWGJZQGHDS-CYBMUJFWSA-N -1 1 351.428 2.408 20 0 FEADMM Cc1noc(C2CCC(NC(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000378037061 558467593 /nfs/dbraw/zinc/46/75/93/558467593.db2.gz FHHWOPQBFZZYCP-UHFFFAOYSA-N -1 1 353.382 2.071 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)c3nnc4n3CCCCC4)cnc2n1 ZINC000378318455 558528458 /nfs/dbraw/zinc/52/84/58/558528458.db2.gz UWISZDPWMUMPHQ-GFCCVEGCSA-N -1 1 366.425 2.453 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)c1nnc3n1CCCCC3)c2=O ZINC000378318455 558528460 /nfs/dbraw/zinc/52/84/60/558528460.db2.gz UWISZDPWMUMPHQ-GFCCVEGCSA-N -1 1 366.425 2.453 20 0 FEADMM COC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000382559960 558604250 /nfs/dbraw/zinc/60/42/50/558604250.db2.gz KJDZIIMOUZQRAP-NSHDSACASA-N -1 1 362.662 2.323 20 0 FEADMM COC(C)(C)CN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000404369719 558631343 /nfs/dbraw/zinc/63/13/43/558631343.db2.gz OJWNOXNRCVIMTD-UHFFFAOYSA-N -1 1 363.195 2.494 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC23CCCC3)o1 ZINC000408021211 558639107 /nfs/dbraw/zinc/63/91/07/558639107.db2.gz GNZBQFROGWNSHA-UHFFFAOYSA-N -1 1 370.471 2.142 20 0 FEADMM C[C@@H]1C[C@@H](CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CC(C)(C)C1 ZINC000408260248 558661823 /nfs/dbraw/zinc/66/18/23/558661823.db2.gz DSRBFHCNYYPFTO-OLZOCXBDSA-N -1 1 351.520 2.621 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C(C)(C)C1 ZINC000408301289 558664827 /nfs/dbraw/zinc/66/48/27/558664827.db2.gz RACONTVYSXDVPJ-JTQLQIEISA-N -1 1 364.464 2.006 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)[C@H]1CCCOC1 ZINC000409510057 558699402 /nfs/dbraw/zinc/69/94/02/558699402.db2.gz ACTKMRBWMKHOCW-IRXDYDNUSA-N -1 1 369.483 2.081 20 0 FEADMM CC(C)c1n[nH]c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1Br ZINC000524579001 562230622 /nfs/dbraw/zinc/23/06/22/562230622.db2.gz IEVXLDIXLNZUBJ-UHFFFAOYSA-N -1 1 368.239 2.008 20 0 FEADMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000524614410 562231109 /nfs/dbraw/zinc/23/11/09/562231109.db2.gz PWVKXJLJCCJRLK-UHFFFAOYSA-N -1 1 362.432 2.439 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(F)cn3)c2)n1 ZINC000409962404 558730299 /nfs/dbraw/zinc/73/02/99/558730299.db2.gz HTYWQKBLMYPMNL-UHFFFAOYSA-N -1 1 369.356 2.113 20 0 FEADMM CC(C)(C)C(=O)NCc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000525071190 562240023 /nfs/dbraw/zinc/24/00/23/562240023.db2.gz IQPSQBXGQRFMSX-UHFFFAOYSA-N -1 1 370.457 2.061 20 0 FEADMM CC(C)(C)CNC(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000525071227 562240063 /nfs/dbraw/zinc/24/00/63/562240063.db2.gz KASHOLGDJNFHKR-UHFFFAOYSA-N -1 1 370.457 2.175 20 0 FEADMM CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000525410633 562247854 /nfs/dbraw/zinc/24/78/54/562247854.db2.gz HKZVKCXBCCWWLM-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM CCc1cc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)on1 ZINC000525477043 562248921 /nfs/dbraw/zinc/24/89/21/562248921.db2.gz RLTIUJJWAPAICE-UHFFFAOYSA-N -1 1 367.409 2.352 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H]([C@@H](O)C(F)(F)F)C3)cnc2n1 ZINC000412398557 559033263 /nfs/dbraw/zinc/03/32/63/559033263.db2.gz GVGXPQIZCBGADS-NOZJJQNGSA-N -1 1 355.316 2.029 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H]([C@@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000412398557 559033265 /nfs/dbraw/zinc/03/32/65/559033265.db2.gz GVGXPQIZCBGADS-NOZJJQNGSA-N -1 1 355.316 2.029 20 0 FEADMM COC(=O)[C@H]1CSCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000412954951 559066959 /nfs/dbraw/zinc/06/69/59/559066959.db2.gz QLTUNOCMHDLRQU-SNVBAGLBSA-N -1 1 374.256 2.133 20 0 FEADMM CN(C)C(=O)c1ccc(=NCCCOc2cccc3cccnc32)[n-]n1 ZINC000413136213 559081784 /nfs/dbraw/zinc/08/17/84/559081784.db2.gz NSEMZLCULSUJOQ-UHFFFAOYSA-N -1 1 351.410 2.608 20 0 FEADMM CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2ncc(C)cc2[O-])c1 ZINC000413883911 559136981 /nfs/dbraw/zinc/13/69/81/559136981.db2.gz VCYYUUNJRMOMKL-UHFFFAOYSA-N -1 1 368.842 2.473 20 0 FEADMM CCOc1cc(C(=O)N2CCSC[C@@H](C(=O)OC)C2)cc(Cl)c1[O-] ZINC000414040926 559148462 /nfs/dbraw/zinc/14/84/62/559148462.db2.gz MHTYEUIOGNVGGH-NSHDSACASA-N -1 1 373.858 2.423 20 0 FEADMM CC(C)(CO)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1 ZINC000414407960 559162211 /nfs/dbraw/zinc/16/22/11/559162211.db2.gz XXHDHURVPZRHMP-CQSZACIVSA-N -1 1 357.435 2.474 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nncn1C ZINC000414459362 559165385 /nfs/dbraw/zinc/16/53/85/559165385.db2.gz BBOKOKXASMIXNB-ZCFIWIBFSA-N -1 1 355.272 2.265 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cnc1C ZINC000414478268 559167510 /nfs/dbraw/zinc/16/75/10/559167510.db2.gz OKMJKSVWFGLWNN-NSHDSACASA-N -1 1 354.350 2.042 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1=O ZINC000414650273 559177250 /nfs/dbraw/zinc/17/72/50/559177250.db2.gz FGYAGEZBKAZYMT-UONOGXRCSA-N -1 1 374.359 2.385 20 0 FEADMM CCOc1ccc(CN[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000414655951 559177531 /nfs/dbraw/zinc/17/75/31/559177531.db2.gz KDQFPRXNMYEYEX-HOCLYGCPSA-N -1 1 352.406 2.024 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2ccccc2OCC2CC2)C1=O ZINC000414655521 559177608 /nfs/dbraw/zinc/17/76/08/559177608.db2.gz JQSQGYNQHVQQMQ-FUHWJXTLSA-N -1 1 360.454 2.275 20 0 FEADMM Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000414661240 559177778 /nfs/dbraw/zinc/17/77/78/559177778.db2.gz QGFPNVSRNQKQRW-AEFFLSMTSA-N -1 1 370.453 2.185 20 0 FEADMM CSc1nnc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)s1 ZINC000527087535 562276035 /nfs/dbraw/zinc/27/60/35/562276035.db2.gz JVSXGKDJXRNJAE-UHFFFAOYSA-N -1 1 371.513 2.035 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000416194487 559297613 /nfs/dbraw/zinc/29/76/13/559297613.db2.gz TXOIBYQWCNODML-BDAKNGLRSA-N -1 1 364.261 2.471 20 0 FEADMM C[C@@]1(O)C[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000416282982 559302294 /nfs/dbraw/zinc/30/22/94/559302294.db2.gz ONAPDJSKKXDWNX-RHNCMZPLSA-N -1 1 360.435 2.131 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccccc1 ZINC000416381023 559308806 /nfs/dbraw/zinc/30/88/06/559308806.db2.gz GEIVNVXIYDKBTO-INIZCTEOSA-N -1 1 355.456 2.027 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)o1 ZINC000416410157 559310921 /nfs/dbraw/zinc/31/09/21/559310921.db2.gz WSAFRCXFXIRCAT-ZDUSSCGKSA-N -1 1 355.460 2.365 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000416470701 559315726 /nfs/dbraw/zinc/31/57/26/559315726.db2.gz NFVYVKDKXQHCSS-RCCFBDPRSA-N -1 1 374.462 2.031 20 0 FEADMM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2sccc2Cl)cc1 ZINC000416549748 559321101 /nfs/dbraw/zinc/32/11/01/559321101.db2.gz DIQQGXOWGZHPQU-NSHDSACASA-N -1 1 361.872 2.465 20 0 FEADMM CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000416581697 559323161 /nfs/dbraw/zinc/32/31/61/559323161.db2.gz GRDVTNOHDWYCGL-UHFFFAOYSA-N -1 1 355.218 2.032 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)s1 ZINC000416584446 559323344 /nfs/dbraw/zinc/32/33/44/559323344.db2.gz DHVBZYUBHGANEM-RKDXNWHRSA-N -1 1 351.421 2.102 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000416834030 559334370 /nfs/dbraw/zinc/33/43/70/559334370.db2.gz WDLYEBCFVBVZCZ-UTUOFQBUSA-N -1 1 371.459 2.002 20 0 FEADMM Cn1cc([C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cn1 ZINC000417596143 559368820 /nfs/dbraw/zinc/36/88/20/559368820.db2.gz KKIGKEXVBFIIND-CQSZACIVSA-N -1 1 351.790 2.150 20 0 FEADMM Cc1ccc(F)c(CNCCNC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000417599584 559368943 /nfs/dbraw/zinc/36/89/43/559368943.db2.gz CJOIFFRKYBTNRO-UHFFFAOYSA-N -1 1 359.401 2.421 20 0 FEADMM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1OC ZINC000417602083 559369004 /nfs/dbraw/zinc/36/90/04/559369004.db2.gz UIJCDTIQCJUXJI-CQSZACIVSA-N -1 1 353.806 2.396 20 0 FEADMM Cn1cc([C@H](NCc2ccc(OCC(F)(F)F)c(F)c2)C(=O)[O-])cn1 ZINC000417602796 559369032 /nfs/dbraw/zinc/36/90/32/559369032.db2.gz WLRBJTNLDNDION-ZDUSSCGKSA-N -1 1 361.295 2.416 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1cc(C)cc(C)c1 ZINC000420683008 559497607 /nfs/dbraw/zinc/49/76/07/559497607.db2.gz BJGOPCNVHSLOHA-SJORKVTESA-N -1 1 371.499 2.498 20 0 FEADMM CC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000420751603 559502275 /nfs/dbraw/zinc/50/22/75/559502275.db2.gz WSDNJABDWRQSMF-LURJTMIESA-N -1 1 360.632 2.291 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2nn(-c3ccccc3)c3c2CCC3)n[n-]1 ZINC000424202154 559657645 /nfs/dbraw/zinc/65/76/45/559657645.db2.gz HNAJZSSSRMNWCO-UHFFFAOYSA-N -1 1 357.439 2.015 20 0 FEADMM CN(C)C(=O)c1ccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000424257078 559659674 /nfs/dbraw/zinc/65/96/74/559659674.db2.gz JZIFFDXYKHCPOH-INIZCTEOSA-N -1 1 361.442 2.046 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000424392495 559662856 /nfs/dbraw/zinc/66/28/56/559662856.db2.gz JTWGGMMYRCYRBS-ZBFHGGJFSA-N -1 1 353.438 2.475 20 0 FEADMM CCc1ccc(-c2ccc(CN3Cc4n[nH]c(=O)n4C[C@@H]3C(=O)[O-])o2)cc1 ZINC000424414155 559663624 /nfs/dbraw/zinc/66/36/24/559663624.db2.gz PXWGKDZJYALLRW-OAHLLOKOSA-N -1 1 368.393 2.275 20 0 FEADMM CCC[C@@H]1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CCN1CCOC ZINC000424421499 559663890 /nfs/dbraw/zinc/66/38/90/559663890.db2.gz DGUILRJLMDLVML-OAHLLOKOSA-N -1 1 357.495 2.020 20 0 FEADMM CCC(CC)(CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C(=O)[O-] ZINC000424431087 559664449 /nfs/dbraw/zinc/66/44/49/559664449.db2.gz OLHJQRBCDIQAPB-ZDUSSCGKSA-N -1 1 363.462 2.462 20 0 FEADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccnn2C)c(SC)cc1OC ZINC000424628366 559671701 /nfs/dbraw/zinc/67/17/01/559671701.db2.gz WRKFMKKCOSNCCQ-OAHLLOKOSA-N -1 1 351.428 2.075 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc2)cc1C ZINC000425058629 559685645 /nfs/dbraw/zinc/68/56/45/559685645.db2.gz JXWLVNNSDMVTIP-QZTJIDSGSA-N -1 1 374.462 2.357 20 0 FEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2sc(C)nc2C)s1 ZINC000425201822 559690979 /nfs/dbraw/zinc/69/09/79/559690979.db2.gz KEAAYZYBFQTLJQ-LURJTMIESA-N -1 1 361.470 2.043 20 0 FEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2sccc2F)s1 ZINC000425211187 559691563 /nfs/dbraw/zinc/69/15/63/559691563.db2.gz XNEVAYZBIBUQDC-ZCFIWIBFSA-N -1 1 350.418 2.170 20 0 FEADMM COc1cc2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)[nH]c2cc1OC ZINC000425293451 559695050 /nfs/dbraw/zinc/69/50/50/559695050.db2.gz BPTDEBFRPMECDZ-SNVBAGLBSA-N -1 1 372.381 2.294 20 0 FEADMM COc1ccc(Br)c(CN[C@H](Cn2cc(C)cn2)C(=O)[O-])c1 ZINC000426721743 559741014 /nfs/dbraw/zinc/74/10/14/559741014.db2.gz DDUQHYBAZVFQKD-CQSZACIVSA-N -1 1 368.231 2.206 20 0 FEADMM Cc1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC000427084741 559747545 /nfs/dbraw/zinc/74/75/45/559747545.db2.gz ANOBXHQWVNQFKH-ZDUSSCGKSA-N -1 1 361.398 2.389 20 0 FEADMM Cc1cnc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000427114633 559748149 /nfs/dbraw/zinc/74/81/49/559748149.db2.gz QGIMCDNQNTYBCL-CQSZACIVSA-N -1 1 368.437 2.453 20 0 FEADMM COc1cc(CN2CCN(C(=O)c3ncc(C)cc3[O-])CC2)cc(OC)c1 ZINC000427259837 559751650 /nfs/dbraw/zinc/75/16/50/559751650.db2.gz YNOGJYRNKBIOKI-UHFFFAOYSA-N -1 1 371.437 2.071 20 0 FEADMM Cc1cnc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000427902433 559764872 /nfs/dbraw/zinc/76/48/72/559764872.db2.gz OAJBOFCFQBWMMJ-AWEZNQCLSA-N -1 1 366.377 2.359 20 0 FEADMM Cc1cnc(C(=O)N[C@H](CO)c2cccc(Br)c2)c([O-])c1 ZINC000428013017 559767397 /nfs/dbraw/zinc/76/73/97/559767397.db2.gz HBNHEFSUDKFLRN-GFCCVEGCSA-N -1 1 351.200 2.322 20 0 FEADMM CC(C)(CC(=O)NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)[O-] ZINC000430900707 559829793 /nfs/dbraw/zinc/82/97/93/559829793.db2.gz QPPQTAAYCKUNGM-OAHLLOKOSA-N -1 1 350.484 2.221 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2c(Cl)cnn2C)c1Cl ZINC000431175237 559835497 /nfs/dbraw/zinc/83/54/97/559835497.db2.gz LVDDBIBFGNNQFT-UHFFFAOYSA-N -1 1 364.210 2.314 20 0 FEADMM C[C@H](CN=c1[n-]c(C(N)=O)cs1)Oc1ccccc1Br ZINC000432328944 559856599 /nfs/dbraw/zinc/85/65/99/559856599.db2.gz MXYZZFCUSUXENP-MRVPVSSYSA-N -1 1 356.245 2.884 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n1 ZINC000432660907 559862692 /nfs/dbraw/zinc/86/26/92/559862692.db2.gz YBVWICDXQVCEQB-UHFFFAOYSA-N -1 1 374.422 2.054 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1 ZINC000432671983 559862922 /nfs/dbraw/zinc/86/29/22/559862922.db2.gz XJHALVXHJPYKTC-UHFFFAOYSA-N -1 1 359.407 2.401 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2cc(C)nn2C(C)(C)C)n1 ZINC000432680972 559862993 /nfs/dbraw/zinc/86/29/93/559862993.db2.gz ZKXFDYPCGXBOQK-UHFFFAOYSA-N -1 1 351.432 2.187 20 0 FEADMM CCN(c1cccc(OC)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433497690 559883183 /nfs/dbraw/zinc/88/31/83/559883183.db2.gz QYWJKJNBCJPQJD-UHFFFAOYSA-N -1 1 351.380 2.314 20 0 FEADMM CC(C)c1nc(N2CCN(c3nc(=N)[n-]s3)CC2)cc(C(C)(C)C)n1 ZINC000433770789 559887530 /nfs/dbraw/zinc/88/75/30/559887530.db2.gz JHMCTZMWEOVENU-UHFFFAOYSA-N -1 1 361.519 2.658 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccccc3-c3cn[nH]c3)cc2N1 ZINC000527369495 562286677 /nfs/dbraw/zinc/28/66/77/562286677.db2.gz OOKJRIJILGJSQZ-UHFFFAOYSA-N -1 1 370.390 2.208 20 0 FEADMM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)cc1 ZINC000435429391 559922694 /nfs/dbraw/zinc/92/26/94/559922694.db2.gz WRVFSOJOEIOPBI-UONOGXRCSA-N -1 1 365.407 2.299 20 0 FEADMM COCCOC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435428584 559922760 /nfs/dbraw/zinc/92/27/60/559922760.db2.gz RKEOKCXGSUVBOZ-MRVPVSSYSA-N -1 1 360.234 2.462 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000436477453 559942450 /nfs/dbraw/zinc/94/24/50/559942450.db2.gz LYASECVZPAJTJA-UHFFFAOYSA-N -1 1 360.420 2.105 20 0 FEADMM C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1c([O-])cccc1F ZINC000436517931 559944067 /nfs/dbraw/zinc/94/40/67/559944067.db2.gz ZEBYTAPIKPDYEB-HNNXBMFYSA-N -1 1 357.429 2.472 20 0 FEADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1OCC(=O)NC1CC1 ZINC000436557830 559945241 /nfs/dbraw/zinc/94/52/41/559945241.db2.gz SQRNNPASCRYOKE-UHFFFAOYSA-N -1 1 374.368 2.450 20 0 FEADMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436576747 559945750 /nfs/dbraw/zinc/94/57/50/559945750.db2.gz RSYWUVAUXQDSKQ-NSHDSACASA-N -1 1 374.368 2.465 20 0 FEADMM COc1ccc(C[C@](C)(O)CNC(=O)c2cc(F)ccc2[O-])cc1OC ZINC000436603031 559946456 /nfs/dbraw/zinc/94/64/56/559946456.db2.gz LETZJRHBVDYRDY-IBGZPJMESA-N -1 1 363.385 2.272 20 0 FEADMM COCc1nc(NC(=O)c2ccc(OC)cc2[O-])sc1C(=O)OC ZINC000436668303 559948146 /nfs/dbraw/zinc/94/81/46/559948146.db2.gz XNGKUGGWXHKWII-UHFFFAOYSA-N -1 1 352.368 2.043 20 0 FEADMM O=C(NCc1ccc(Cn2ccccc2=O)cc1)C(=O)c1ccc([O-])cc1 ZINC000436680028 559948751 /nfs/dbraw/zinc/94/87/51/559948751.db2.gz HZGRACCNECRYDS-UHFFFAOYSA-N -1 1 362.385 2.101 20 0 FEADMM O=C(Nc1nncn1C1CC1)c1cc(I)ccc1[O-] ZINC000436697264 559949111 /nfs/dbraw/zinc/94/91/11/559949111.db2.gz JFYGWBVKFOGGSV-UHFFFAOYSA-N -1 1 370.150 2.176 20 0 FEADMM CCc1nc(NC(=O)c2cc(NC(C)=O)ccc2[O-])sc1C(=O)OC ZINC000436701763 559949421 /nfs/dbraw/zinc/94/94/21/559949421.db2.gz ARHJPBHWNFPRSU-UHFFFAOYSA-N -1 1 363.395 2.408 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2ccc([O-])cc2F)s1 ZINC000436711470 559949656 /nfs/dbraw/zinc/94/96/56/559949656.db2.gz IHZYFWACZDHTSW-DTWKUNHWSA-N -1 1 366.418 2.338 20 0 FEADMM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cc(Br)ccc1[O-] ZINC000436715136 559949759 /nfs/dbraw/zinc/94/97/59/559949759.db2.gz OJDRFPJSDBPQMI-ZWNOBZJWSA-N -1 1 360.248 2.043 20 0 FEADMM COc1c(F)cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1F ZINC000436723664 559950083 /nfs/dbraw/zinc/95/00/83/559950083.db2.gz OIVBQVJPWUOGMP-UHFFFAOYSA-N -1 1 373.333 2.486 20 0 FEADMM COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436725915 559950123 /nfs/dbraw/zinc/95/01/23/559950123.db2.gz WBWLLJPUAZZHHO-GUYCJALGSA-N -1 1 355.390 2.112 20 0 FEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000436727044 559950133 /nfs/dbraw/zinc/95/01/33/559950133.db2.gz XSQVPCQIXGHUGU-UHFFFAOYSA-N -1 1 373.390 2.385 20 0 FEADMM CCC(CC)c1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])on1 ZINC000436727720 559950269 /nfs/dbraw/zinc/95/02/69/559950269.db2.gz BTYXGPQZHBUJKM-UHFFFAOYSA-N -1 1 353.400 2.184 20 0 FEADMM O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccc(O)cc1[O-] ZINC000436734036 559950444 /nfs/dbraw/zinc/95/04/44/559950444.db2.gz JOKGJQAWINQJJL-UHFFFAOYSA-N -1 1 366.370 2.029 20 0 FEADMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1[O-] ZINC000436757583 559950926 /nfs/dbraw/zinc/95/09/26/559950926.db2.gz JCWCJNYGBOXVLY-UHFFFAOYSA-N -1 1 361.350 2.457 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(C2N=NC(=O)O2)CC1 ZINC000436791729 559952245 /nfs/dbraw/zinc/95/22/45/559952245.db2.gz KRVGKIUENAONFV-UHFFFAOYSA-N -1 1 368.187 2.263 20 0 FEADMM O=C(CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1)C1CC1 ZINC000436811080 559952946 /nfs/dbraw/zinc/95/29/46/559952946.db2.gz ZIDWHONZAUDBSK-UHFFFAOYSA-N -1 1 356.344 2.148 20 0 FEADMM COC(=O)C1(NC(=O)c2cc(Br)ccc2[O-])CCSCC1 ZINC000436826762 559953393 /nfs/dbraw/zinc/95/33/93/559953393.db2.gz PXAOZQFFDLAWHX-UHFFFAOYSA-N -1 1 374.256 2.323 20 0 FEADMM COCCOc1ccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1OC ZINC000436899862 559955656 /nfs/dbraw/zinc/95/56/56/559955656.db2.gz GGJWYRCRPPDRDZ-CYBMUJFWSA-N -1 1 373.405 2.486 20 0 FEADMM CN(Cc1ccon1)C(=O)c1cc(I)ccc1[O-] ZINC000436908906 559955964 /nfs/dbraw/zinc/95/59/64/559955964.db2.gz KYBGNWCOJIXNLD-UHFFFAOYSA-N -1 1 358.135 2.257 20 0 FEADMM COC(=O)COc1ccc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436904836 559955986 /nfs/dbraw/zinc/95/59/86/559955986.db2.gz GDGQOOSPZSGVJS-LBPRGKRZSA-N -1 1 357.362 2.004 20 0 FEADMM O=C(C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)c1ccc([O-])cc1 ZINC000436945176 559957178 /nfs/dbraw/zinc/95/71/78/559957178.db2.gz MFVDSEDWFZALIO-UHFFFAOYSA-N -1 1 372.808 2.099 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n(-c2ccncc2)n1 ZINC000437346945 559963717 /nfs/dbraw/zinc/96/37/17/559963717.db2.gz ZBNFMIBUTMOCJA-UHFFFAOYSA-N -1 1 372.406 2.148 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)cc1 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FEADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000460826877 560752814 /nfs/dbraw/zinc/75/28/14/560752814.db2.gz CBORFSCLTXZVPI-GFCCVEGCSA-N -1 1 373.438 2.385 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2[C@H](C)C2(F)F)c1 ZINC000460991759 560758452 /nfs/dbraw/zinc/75/84/52/560758452.db2.gz LEMPUVRFQJVSDB-TVQRCGJNSA-N -1 1 362.398 2.262 20 0 FEADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2nn1C ZINC000461343597 560767359 /nfs/dbraw/zinc/76/73/59/560767359.db2.gz QKYVHVXDROJMJV-UHFFFAOYSA-N -1 1 372.406 2.127 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000461454663 560772118 /nfs/dbraw/zinc/77/21/18/560772118.db2.gz VPENKUGNYNJTME-ZIAGYGMSSA-N -1 1 364.398 2.182 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3nc(C)ccc3o2)c1 ZINC000461458188 560772229 /nfs/dbraw/zinc/77/22/29/560772229.db2.gz VOCJUDXHUDPSTE-UHFFFAOYSA-N -1 1 361.379 2.002 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3ncccc32)c1 ZINC000461463767 560772669 /nfs/dbraw/zinc/77/26/69/560772669.db2.gz HXWFDHKMGCBGDH-UHFFFAOYSA-N -1 1 357.391 2.101 20 0 FEADMM O=C(NC[C@@H](CO)C1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461634750 560778163 /nfs/dbraw/zinc/77/81/63/560778163.db2.gz YJQSVIKHEMZNOH-INIZCTEOSA-N -1 1 374.462 2.236 20 0 FEADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000462098454 560796851 /nfs/dbraw/zinc/79/68/51/560796851.db2.gz CALKVTUMCNOBQU-JOCHJYFZSA-N -1 1 352.393 2.072 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cc12 ZINC000462103267 560797330 /nfs/dbraw/zinc/79/73/30/560797330.db2.gz NRWHOMIWNBYYSB-UHFFFAOYSA-N -1 1 361.379 2.349 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)s1 ZINC000464365538 560839897 /nfs/dbraw/zinc/83/98/97/560839897.db2.gz OKSKBGWLEMCWAF-LURJTMIESA-N -1 1 361.363 2.163 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@@H]3CCC[C@H]3C)CC2)n1 ZINC000466708572 560893189 /nfs/dbraw/zinc/89/31/89/560893189.db2.gz ZEMFTRRPVLHQAJ-OCCSQVGLSA-N -1 1 363.462 2.307 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCO4)cc2oc1=O ZINC000466963219 560900521 /nfs/dbraw/zinc/90/05/21/560900521.db2.gz BRFYAKDLWZTMOT-UHFFFAOYSA-N -1 1 360.391 2.350 20 0 FEADMM COc1cc(NC(=O)NC[C@H](OC)C(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000467716287 560915591 /nfs/dbraw/zinc/91/55/91/560915591.db2.gz VUUITHJYEZIJGP-AWEZNQCLSA-N -1 1 373.475 2.249 20 0 FEADMM CC(C)C[C@@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000467864921 560918978 /nfs/dbraw/zinc/91/89/78/560918978.db2.gz PFMYVSARXWLIFD-OAHLLOKOSA-N -1 1 359.499 2.599 20 0 FEADMM CCC[C@](C)(CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000468338914 560927488 /nfs/dbraw/zinc/92/74/88/560927488.db2.gz JZGSDZJDFKEWJX-CYBMUJFWSA-N -1 1 363.195 2.278 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(F)(F)F ZINC000469108798 560947447 /nfs/dbraw/zinc/94/74/47/560947447.db2.gz ZHQUNNHYOXSNIC-QMMMGPOBSA-N -1 1 356.757 2.310 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCc2c1cccc2-c1ccccc1 ZINC000468584209 560933506 /nfs/dbraw/zinc/93/35/06/560933506.db2.gz ARYFBWFICJPTHU-UHFFFAOYSA-N -1 1 357.373 2.288 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1)c1ccsc1 ZINC000468859876 560940744 /nfs/dbraw/zinc/94/07/44/560940744.db2.gz HVGOHJYRPHWIMF-HNNXBMFYSA-N -1 1 362.432 2.489 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000468989816 560944250 /nfs/dbraw/zinc/94/42/50/560944250.db2.gz NBOPGGMUWLGSCC-BXUZGUMPSA-N -1 1 361.467 2.497 20 0 FEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000470454715 560982529 /nfs/dbraw/zinc/98/25/29/560982529.db2.gz AZIIBHSQIPTNLN-UHFFFAOYSA-N -1 1 373.427 2.239 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000471106571 560998331 /nfs/dbraw/zinc/99/83/31/560998331.db2.gz ALXFXXGKCIBOGI-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)ccc1F ZINC000471609561 561008654 /nfs/dbraw/zinc/00/86/54/561008654.db2.gz BSEFLKHQNVWTQA-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM CC(C)(C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(F)F ZINC000472423844 561026092 /nfs/dbraw/zinc/02/60/92/561026092.db2.gz FRLMUNSBGYXMMH-UHFFFAOYSA-N -1 1 362.398 2.407 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1cccc(C)c1C ZINC000472735160 561033995 /nfs/dbraw/zinc/03/39/95/561033995.db2.gz DWABPFCCJHBLMP-GDBMZVCRSA-N -1 1 355.456 2.006 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000473325321 561047605 /nfs/dbraw/zinc/04/76/05/561047605.db2.gz KTNWBKIHMHJJGF-UHFFFAOYSA-N -1 1 358.181 2.176 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)CCC(=O)OC(C)C)c(=O)[n-]1 ZINC000473588301 561053251 /nfs/dbraw/zinc/05/32/51/561053251.db2.gz HCLYWWLTWDSQOH-NSHDSACASA-N -1 1 369.487 2.382 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnc2onc(C)c2c1)c1ccc(C)o1 ZINC000474170430 561067390 /nfs/dbraw/zinc/06/73/90/561067390.db2.gz MUGCDRXBTYKCBF-CYBMUJFWSA-N -1 1 351.384 2.099 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000474187751 561067835 /nfs/dbraw/zinc/06/78/35/561067835.db2.gz FAJTYZOPIGZUAS-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000474347909 561071819 /nfs/dbraw/zinc/07/18/19/561071819.db2.gz GWGAXVNXYSXRQW-JTQLQIEISA-N -1 1 370.438 2.284 20 0 FEADMM COc1ncc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(N)=O ZINC000474394858 561073125 /nfs/dbraw/zinc/07/31/25/561073125.db2.gz SRVQZXOQSSCWJV-UHFFFAOYSA-N -1 1 363.439 2.188 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000474720816 561081279 /nfs/dbraw/zinc/08/12/79/561081279.db2.gz RMWKKSCCJWZIQX-UHFFFAOYSA-N -1 1 364.402 2.062 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(F)cc1 ZINC000475016353 561087744 /nfs/dbraw/zinc/08/77/44/561087744.db2.gz OIAZBJGFGHLVFP-OAHLLOKOSA-N -1 1 369.352 2.096 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)ccc1C ZINC000476426311 561119162 /nfs/dbraw/zinc/11/91/62/561119162.db2.gz GFSXHOSRRGCFBS-UHFFFAOYSA-N -1 1 374.422 2.173 20 0 FEADMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(CC(N)=O)cc3)ccc21 ZINC000476483567 561120602 /nfs/dbraw/zinc/12/06/02/561120602.db2.gz ANXOHNKYCGCBGY-UHFFFAOYSA-N -1 1 372.450 2.446 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1nn[n-]n1 ZINC000476718595 561126809 /nfs/dbraw/zinc/12/68/09/561126809.db2.gz PNHLJDAZMRKZCC-QMMMGPOBSA-N -1 1 365.850 2.191 20 0 FEADMM O=S(=O)([N-]CC1CC(O)C1)c1cc(Cl)c(Br)cc1F ZINC000528562734 562336400 /nfs/dbraw/zinc/33/64/00/562336400.db2.gz SRKBHMPEZSPMGH-UHFFFAOYSA-N -1 1 372.643 2.291 20 0 FEADMM O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000528882176 562351438 /nfs/dbraw/zinc/35/14/38/562351438.db2.gz KUOKDELHJFXRCP-HOCLYGCPSA-N -1 1 374.876 2.224 20 0 FEADMM O=C(c1ccc(Br)c(F)c1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000528883043 562351659 /nfs/dbraw/zinc/35/16/59/562351659.db2.gz NVJTYLMWKLNLBH-SSDOTTSWSA-N -1 1 372.173 2.260 20 0 FEADMM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(F)c1[O-])C2=O ZINC000530006309 562394188 /nfs/dbraw/zinc/39/41/88/562394188.db2.gz OPUQHPMJTFBGII-UHFFFAOYSA-N -1 1 363.389 2.361 20 0 FEADMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@H](O)COc1ccccc1Cl ZINC000530167393 562400943 /nfs/dbraw/zinc/40/09/43/562400943.db2.gz APENQECZAWEHDH-MEDUHNTESA-N -1 1 351.786 2.357 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@H](n3cccn3)C(F)(F)F)cnc2n1 ZINC000530265695 562404693 /nfs/dbraw/zinc/40/46/93/562404693.db2.gz PVHBGCIMFWCXTM-LBPRGKRZSA-N -1 1 365.315 2.374 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC[C@H](n3cccn3)C(F)(F)F)c[n-]c2n1 ZINC000530265695 562404694 /nfs/dbraw/zinc/40/46/94/562404694.db2.gz PVHBGCIMFWCXTM-LBPRGKRZSA-N -1 1 365.315 2.374 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)Cc1ccncc1 ZINC000530911705 562428456 /nfs/dbraw/zinc/42/84/56/562428456.db2.gz XXCXZQSVPFFKLX-CYBMUJFWSA-N -1 1 363.421 2.238 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1OC ZINC000531143806 562436296 /nfs/dbraw/zinc/43/62/96/562436296.db2.gz RFKCXHMYIVPZPN-UHFFFAOYSA-N -1 1 374.422 2.144 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccco1)c1ccc(Br)cc1[O-] ZINC000531874574 562459562 /nfs/dbraw/zinc/45/95/62/562459562.db2.gz YOCRSWLNQHDMNX-SNVBAGLBSA-N -1 1 354.200 2.329 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4ccccc4O)CC3)cnc2n1 ZINC000532185078 562470272 /nfs/dbraw/zinc/47/02/72/562470272.db2.gz WDJOYPMYGUQVMV-UHFFFAOYSA-N -1 1 364.405 2.312 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(c4ccccc4O)CC3)c[n-]c2n1 ZINC000532185078 562470273 /nfs/dbraw/zinc/47/02/73/562470273.db2.gz WDJOYPMYGUQVMV-UHFFFAOYSA-N -1 1 364.405 2.312 20 0 FEADMM CCCN(CCC)S(=O)(=O)[N-]c1nn(-c2ncccc2F)cc1C ZINC000533305184 562504557 /nfs/dbraw/zinc/50/45/57/562504557.db2.gz XQMOHRWQDUNSFM-UHFFFAOYSA-N -1 1 355.439 2.494 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(CO)c1 ZINC000534254849 562528663 /nfs/dbraw/zinc/52/86/63/562528663.db2.gz FOMPXESWBCKKAC-UHFFFAOYSA-N -1 1 350.378 2.226 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000534331768 562531927 /nfs/dbraw/zinc/53/19/27/562531927.db2.gz GXMNWDQOIJQIKB-UHFFFAOYSA-N -1 1 367.448 2.311 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2csc3ccccc23)co1 ZINC000534400550 562533447 /nfs/dbraw/zinc/53/34/47/562533447.db2.gz YSOCKJBMFFRXOY-UHFFFAOYSA-N -1 1 350.421 2.332 20 0 FEADMM O=C(CCNC(=O)c1ccc(Br)c([O-])c1)Nc1ccccn1 ZINC000535003814 562547545 /nfs/dbraw/zinc/54/75/45/562547545.db2.gz HJCVUSCJSACWJP-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)co1 ZINC000535155638 562552216 /nfs/dbraw/zinc/55/22/16/562552216.db2.gz GYODABJGOFQLCI-UHFFFAOYSA-N -1 1 374.378 2.022 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000535656624 562563387 /nfs/dbraw/zinc/56/33/87/562563387.db2.gz YZHAIJPYMPBDLS-UHFFFAOYSA-N -1 1 366.406 2.226 20 0 FEADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cn1 ZINC000535656644 562563462 /nfs/dbraw/zinc/56/34/62/562563462.db2.gz ZNCWFRRYIGHGQE-UHFFFAOYSA-N -1 1 364.210 2.164 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000536421694 562575113 /nfs/dbraw/zinc/57/51/13/562575113.db2.gz SQNOBUMCCWVTEW-MRVPVSSYSA-N -1 1 362.181 2.469 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccncc2CC)o1 ZINC000536902955 562582300 /nfs/dbraw/zinc/58/23/00/562582300.db2.gz AMGCHVLAVRFEDC-NSHDSACASA-N -1 1 352.412 2.453 20 0 FEADMM C[C@@H](O)C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000541241153 562606956 /nfs/dbraw/zinc/60/69/56/562606956.db2.gz ILGGNXPRGADCNQ-UONOGXRCSA-N -1 1 362.451 2.377 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCCCS1 ZINC000541469535 562612760 /nfs/dbraw/zinc/61/27/60/562612760.db2.gz NHXDENPSIQZAGA-CQSZACIVSA-N -1 1 358.467 2.497 20 0 FEADMM C[C@@H](NCc1nc(=O)n(C)[n-]1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000541583208 562615934 /nfs/dbraw/zinc/61/59/34/562615934.db2.gz ZXDVGRMYGVHNBW-CYBMUJFWSA-N -1 1 351.410 2.212 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1 ZINC000542000842 562625499 /nfs/dbraw/zinc/62/54/99/562625499.db2.gz PZIVAXOWAIPHQX-UHFFFAOYSA-N -1 1 363.317 2.382 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000546147852 562634285 /nfs/dbraw/zinc/63/42/85/562634285.db2.gz KWXQUYXUMXYOHK-UHFFFAOYSA-N -1 1 355.785 2.001 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)c(OC)c3)no2)co1 ZINC000546405705 562636892 /nfs/dbraw/zinc/63/68/92/562636892.db2.gz JPXGLCFPRRPLAN-UHFFFAOYSA-N -1 1 353.331 2.052 20 0 FEADMM O=C(Cc1ccccc1Br)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000549716688 562638200 /nfs/dbraw/zinc/63/82/00/562638200.db2.gz OVVYHOANVCOPTE-UHFFFAOYSA-N -1 1 366.215 2.486 20 0 FEADMM O=c1cc(/C=C/c2cnn(Cc3ccccc3)c2Cl)nc2nc[n-]n21 ZINC000806571205 674381477 /nfs/dbraw/zinc/38/14/77/674381477.db2.gz QYLTVDVGMWJEPF-VOTSOKGWSA-N -1 1 352.785 2.486 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC(=O)N3)cc2)c(C)s1 ZINC000556289313 674395023 /nfs/dbraw/zinc/39/50/23/674395023.db2.gz XLKXNRCVMMOVIE-HNNXBMFYSA-N -1 1 352.437 2.391 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)CN1c1ccccc1 ZINC000556302125 674395620 /nfs/dbraw/zinc/39/56/20/674395620.db2.gz HQJQYHOJFHLWMI-OCCSQVGLSA-N -1 1 358.410 2.147 20 0 FEADMM C[C@H]1CCN(C(=O)N[C@H]2CCCSC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806910090 674395640 /nfs/dbraw/zinc/39/56/40/674395640.db2.gz RJFQZFKOHDZYNH-BJDJZHNGSA-N -1 1 367.437 2.369 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)n[n-]1 ZINC000603022762 568052615 /nfs/dbraw/zinc/05/26/15/568052615.db2.gz PYQSXPGMYUUZCA-CABCVRRESA-N -1 1 356.426 2.257 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000603022762 568052616 /nfs/dbraw/zinc/05/26/16/568052616.db2.gz PYQSXPGMYUUZCA-CABCVRRESA-N -1 1 356.426 2.257 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)n[n-]1 ZINC000603153040 568065283 /nfs/dbraw/zinc/06/52/83/568065283.db2.gz FWDXQKPXHZRBDF-NSHDSACASA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)[n-]1 ZINC000603153040 568065284 /nfs/dbraw/zinc/06/52/84/568065284.db2.gz FWDXQKPXHZRBDF-NSHDSACASA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)n1 ZINC000603153040 568065285 /nfs/dbraw/zinc/06/52/85/568065285.db2.gz FWDXQKPXHZRBDF-NSHDSACASA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCSc2ccccc2F)n[n-]1 ZINC000603160395 568069231 /nfs/dbraw/zinc/06/92/31/568069231.db2.gz DNNNTZZTFDZBMS-JTQLQIEISA-N -1 1 366.418 2.480 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCSc2ccccc2F)[n-]1 ZINC000603160395 568069232 /nfs/dbraw/zinc/06/92/32/568069232.db2.gz DNNNTZZTFDZBMS-JTQLQIEISA-N -1 1 366.418 2.480 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCSc2ccccc2F)n1 ZINC000603160395 568069233 /nfs/dbraw/zinc/06/92/33/568069233.db2.gz DNNNTZZTFDZBMS-JTQLQIEISA-N -1 1 366.418 2.480 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)n[n-]1 ZINC000603166679 568070302 /nfs/dbraw/zinc/07/03/02/568070302.db2.gz QSBLFWAQTJEEMB-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)[n-]1 ZINC000603166679 568070303 /nfs/dbraw/zinc/07/03/03/568070303.db2.gz QSBLFWAQTJEEMB-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)n1 ZINC000603166679 568070304 /nfs/dbraw/zinc/07/03/04/568070304.db2.gz QSBLFWAQTJEEMB-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCc2ccccc2Cl)n[n-]1 ZINC000603167139 568070468 /nfs/dbraw/zinc/07/04/68/568070468.db2.gz VWSXNYALLFRZKX-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCc2ccccc2Cl)[n-]1 ZINC000603167139 568070469 /nfs/dbraw/zinc/07/04/69/568070469.db2.gz VWSXNYALLFRZKX-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCc2ccccc2Cl)n1 ZINC000603167139 568070470 /nfs/dbraw/zinc/07/04/70/568070470.db2.gz VWSXNYALLFRZKX-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)no1 ZINC000556392935 674400356 /nfs/dbraw/zinc/40/03/56/674400356.db2.gz PARXJMYVMSBUKA-LBPRGKRZSA-N -1 1 365.238 2.443 20 0 FEADMM C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1c(Cl)cccc1Cl ZINC000603547443 568118057 /nfs/dbraw/zinc/11/80/57/568118057.db2.gz SWYWTBQZLOPDFK-LURJTMIESA-N -1 1 363.226 2.257 20 0 FEADMM C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1c(Cl)cccc1Cl ZINC000603547443 568118058 /nfs/dbraw/zinc/11/80/58/568118058.db2.gz SWYWTBQZLOPDFK-LURJTMIESA-N -1 1 363.226 2.257 20 0 FEADMM Cc1noc(C)c1[C@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000603696164 568135888 /nfs/dbraw/zinc/13/58/88/568135888.db2.gz MZHCNTLJYJQXNX-NSHDSACASA-N -1 1 367.409 2.165 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c(F)c1 ZINC000603680814 568137466 /nfs/dbraw/zinc/13/74/66/568137466.db2.gz JYKCTCQAMIDQLI-UHFFFAOYSA-N -1 1 366.349 2.355 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)C[C@@H](C)O1 ZINC000563114968 568220758 /nfs/dbraw/zinc/22/07/58/568220758.db2.gz RMTHOAVUKPOONK-KJWYOANISA-N -1 1 374.481 2.269 20 0 FEADMM CN1C(=O)NCC12CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)CC2 ZINC000644846399 568246584 /nfs/dbraw/zinc/24/65/84/568246584.db2.gz UFCHILZVTKUGKB-UHFFFAOYSA-N -1 1 357.332 2.041 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2nc(C)no2)nc1 ZINC000643269782 568451777 /nfs/dbraw/zinc/45/17/77/568451777.db2.gz KKYCVOQCWHBQDB-ZDUSSCGKSA-N -1 1 354.432 2.243 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736278245 598874092 /nfs/dbraw/zinc/87/40/92/598874092.db2.gz QHTCZKCRKLDLBL-JTQLQIEISA-N -1 1 355.851 2.331 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736278245 598874094 /nfs/dbraw/zinc/87/40/94/598874094.db2.gz QHTCZKCRKLDLBL-JTQLQIEISA-N -1 1 355.851 2.331 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000736656373 598948335 /nfs/dbraw/zinc/94/83/35/598948335.db2.gz WWQZJGAOXBEXEG-UHFFFAOYSA-N -1 1 359.411 2.375 20 0 FEADMM CC(C)(C)OC(=O)NCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735635299 598964955 /nfs/dbraw/zinc/96/49/55/598964955.db2.gz BGMMQDFHQXVCAG-UHFFFAOYSA-N -1 1 370.417 2.137 20 0 FEADMM CC(C)(C)OC(=O)NCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735635299 598964956 /nfs/dbraw/zinc/96/49/56/598964956.db2.gz BGMMQDFHQXVCAG-UHFFFAOYSA-N -1 1 370.417 2.137 20 0 FEADMM CC(C)OCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735903491 598986984 /nfs/dbraw/zinc/98/69/84/598986984.db2.gz HDSZKKIBNLEJIH-UHFFFAOYSA-N -1 1 352.398 2.117 20 0 FEADMM CC(C)OCc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735903491 598986986 /nfs/dbraw/zinc/98/69/86/598986986.db2.gz HDSZKKIBNLEJIH-UHFFFAOYSA-N -1 1 352.398 2.117 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC000736603348 598996238 /nfs/dbraw/zinc/99/62/38/598996238.db2.gz NZJLSNRHOKDASL-UHFFFAOYSA-N -1 1 372.772 2.344 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC000736603348 598996240 /nfs/dbraw/zinc/99/62/40/598996240.db2.gz NZJLSNRHOKDASL-UHFFFAOYSA-N -1 1 372.772 2.344 20 0 FEADMM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735639782 598996946 /nfs/dbraw/zinc/99/69/46/598996946.db2.gz ONBRHTLSDNFHNL-UHFFFAOYSA-N -1 1 352.398 2.369 20 0 FEADMM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735639782 598996947 /nfs/dbraw/zinc/99/69/47/598996947.db2.gz ONBRHTLSDNFHNL-UHFFFAOYSA-N -1 1 352.398 2.369 20 0 FEADMM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735652492 599003719 /nfs/dbraw/zinc/00/37/19/599003719.db2.gz NHBPGQGHEKDPRD-UHFFFAOYSA-N -1 1 366.425 2.368 20 0 FEADMM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735652492 599003721 /nfs/dbraw/zinc/00/37/21/599003721.db2.gz NHBPGQGHEKDPRD-UHFFFAOYSA-N -1 1 366.425 2.368 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](C)C(C)(C)C ZINC000737200527 599007525 /nfs/dbraw/zinc/00/75/25/599007525.db2.gz NPWWQEVWVUGZJG-JTQLQIEISA-N -1 1 360.462 2.315 20 0 FEADMM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736479439 599005427 /nfs/dbraw/zinc/00/54/27/599005427.db2.gz KGZVDIGHPIKUGJ-UHFFFAOYSA-N -1 1 354.389 2.496 20 0 FEADMM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736479439 599005429 /nfs/dbraw/zinc/00/54/29/599005429.db2.gz KGZVDIGHPIKUGJ-UHFFFAOYSA-N -1 1 354.389 2.496 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000738257801 599023634 /nfs/dbraw/zinc/02/36/34/599023634.db2.gz DLYBONADJJNWAP-UHFFFAOYSA-N -1 1 363.356 2.081 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000738257801 599023635 /nfs/dbraw/zinc/02/36/35/599023635.db2.gz DLYBONADJJNWAP-UHFFFAOYSA-N -1 1 363.356 2.081 20 0 FEADMM Cc1ccc(OCCCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737365353 599024185 /nfs/dbraw/zinc/02/41/85/599024185.db2.gz IYGTYOWLOVYRNO-UHFFFAOYSA-N -1 1 352.398 2.159 20 0 FEADMM Cc1ccc(OCCCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737365353 599024187 /nfs/dbraw/zinc/02/41/87/599024187.db2.gz IYGTYOWLOVYRNO-UHFFFAOYSA-N -1 1 352.398 2.159 20 0 FEADMM O=C(Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172280 599079547 /nfs/dbraw/zinc/07/95/47/599079547.db2.gz FXDUNJOTYKAPEU-UHFFFAOYSA-N -1 1 367.438 2.067 20 0 FEADMM O=C(Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172280 599079550 /nfs/dbraw/zinc/07/95/50/599079550.db2.gz FXDUNJOTYKAPEU-UHFFFAOYSA-N -1 1 367.438 2.067 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737216831 599137200 /nfs/dbraw/zinc/13/72/00/599137200.db2.gz ZGVZOKLIAHMATK-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737216831 599137203 /nfs/dbraw/zinc/13/72/03/599137203.db2.gz ZGVZOKLIAHMATK-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736677373 599138902 /nfs/dbraw/zinc/13/89/02/599138902.db2.gz ITWBYDPZPRZVBI-NSHDSACASA-N -1 1 351.366 2.252 20 0 FEADMM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736677373 599138905 /nfs/dbraw/zinc/13/89/05/599138905.db2.gz ITWBYDPZPRZVBI-NSHDSACASA-N -1 1 351.366 2.252 20 0 FEADMM O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823376068 599217799 /nfs/dbraw/zinc/21/77/99/599217799.db2.gz WEPLJAOUHQQDOG-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823376068 599217801 /nfs/dbraw/zinc/21/78/01/599217801.db2.gz WEPLJAOUHQQDOG-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCCOC(C)(C)C1 ZINC000737548677 599225150 /nfs/dbraw/zinc/22/51/50/599225150.db2.gz QDCZWHYVEMDYBD-UHFFFAOYSA-N -1 1 370.413 2.200 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCCOC(C)(C)C1 ZINC000737548677 599225152 /nfs/dbraw/zinc/22/51/52/599225152.db2.gz QDCZWHYVEMDYBD-UHFFFAOYSA-N -1 1 370.413 2.200 20 0 FEADMM O=C([O-])CCNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000819507594 596901362 /nfs/dbraw/zinc/90/13/62/596901362.db2.gz OFKRABZXIQICEY-UHFFFAOYSA-N -1 1 357.338 2.047 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)Nc2cccc(C(=O)[O-])c2O)no1 ZINC000556799744 674420865 /nfs/dbraw/zinc/42/08/65/674420865.db2.gz DKMYVPFGFJCDJU-UHFFFAOYSA-N -1 1 354.384 2.318 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000581228056 597078053 /nfs/dbraw/zinc/07/80/53/597078053.db2.gz ZQJBGMVCOYMVQF-STQMWFEESA-N -1 1 350.415 2.218 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000676232474 597080170 /nfs/dbraw/zinc/08/01/70/597080170.db2.gz CSIKBVJCFSYWNP-HNNXBMFYSA-N -1 1 360.458 2.197 20 0 FEADMM CC(C)c1nn(C)c(N2CCOCC2)c1CNCc1ccc(C(=O)[O-])cc1 ZINC000817990431 597136533 /nfs/dbraw/zinc/13/65/33/597136533.db2.gz CHUAXMDAXKMPOI-UHFFFAOYSA-N -1 1 372.469 2.368 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000820677223 597385969 /nfs/dbraw/zinc/38/59/69/597385969.db2.gz AZLXKDUFFRTQNG-UHFFFAOYSA-N -1 1 363.391 2.210 20 0 FEADMM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139520 607294597 /nfs/dbraw/zinc/29/45/97/607294597.db2.gz HEQBDLLQRCMRFO-UHFFFAOYSA-N -1 1 355.379 2.076 20 0 FEADMM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139520 607294598 /nfs/dbraw/zinc/29/45/98/607294598.db2.gz HEQBDLLQRCMRFO-UHFFFAOYSA-N -1 1 355.379 2.076 20 0 FEADMM C[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807706757 674425013 /nfs/dbraw/zinc/42/50/13/674425013.db2.gz ZERKHHPPTZYLAC-MNXVOIDGSA-N -1 1 350.381 2.250 20 0 FEADMM COCCC[C@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708831 674425150 /nfs/dbraw/zinc/42/51/50/674425150.db2.gz SADNJVMSSPZYMH-CYDGBPFRSA-N -1 1 352.397 2.353 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cc(F)ccc1F ZINC000823583620 607328351 /nfs/dbraw/zinc/32/83/51/607328351.db2.gz WBNMMUMIIUAFSH-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM COc1cccc([C@H]2[C@@H](NC(=O)N(C)CCC(=O)[O-])CCN2C2CC2)c1 ZINC000820865763 598216023 /nfs/dbraw/zinc/21/60/23/598216023.db2.gz WSIYHBSOJXXEFU-WMZOPIPTSA-N -1 1 361.442 2.089 20 0 FEADMM COCC[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736980133 598231135 /nfs/dbraw/zinc/23/11/35/598231135.db2.gz WGBUAFHDRMPGIM-VIFPVBQESA-N -1 1 362.459 2.016 20 0 FEADMM Cc1ccn(Cc2coc(-c3cccc(F)c3)n2)c(=O)c1-c1nn[n-]n1 ZINC000822374220 607349720 /nfs/dbraw/zinc/34/97/20/607349720.db2.gz MNTVERXDKNLJDR-UHFFFAOYSA-N -1 1 352.329 2.179 20 0 FEADMM CCN(Cc1ccoc1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736555345 598327902 /nfs/dbraw/zinc/32/79/02/598327902.db2.gz HCAABMMOAFAKFJ-UHFFFAOYSA-N -1 1 370.413 2.158 20 0 FEADMM c1ccc(-n2nc(Sc3nccnc3-c3nn[n-]n3)nc2C2CC2)cc1 ZINC000738424977 598338037 /nfs/dbraw/zinc/33/80/37/598338037.db2.gz JBNVLJLGAOQSOG-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM FC(F)(F)COCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737625536 598341160 /nfs/dbraw/zinc/34/11/60/598341160.db2.gz BNTVNKHVRXCMBD-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM FC(F)(F)COCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737625536 598341162 /nfs/dbraw/zinc/34/11/62/598341162.db2.gz BNTVNKHVRXCMBD-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM Cc1oc(NC(=O)COC(=O)Cc2cccc(C)c2)c(-c2nn[n-]n2)c1C ZINC000737391531 598371386 /nfs/dbraw/zinc/37/13/86/598371386.db2.gz DCLWOXSNCCIARI-UHFFFAOYSA-N -1 1 369.381 2.109 20 0 FEADMM Cc1nnc(Sc2cnc(-c3nnn[n-]3)cn2)n1-c1ccccc1C ZINC000737417077 598385605 /nfs/dbraw/zinc/38/56/05/598385605.db2.gz FSUMHXYPDVOFDP-UHFFFAOYSA-N -1 1 351.399 2.005 20 0 FEADMM Cc1nnc(Sc2cnc(-c3nn[n-]n3)cn2)n1-c1ccccc1C ZINC000737417077 598385606 /nfs/dbraw/zinc/38/56/06/598385606.db2.gz FSUMHXYPDVOFDP-UHFFFAOYSA-N -1 1 351.399 2.005 20 0 FEADMM O=C(c1cc(F)ccc1F)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000738247983 598386940 /nfs/dbraw/zinc/38/69/40/598386940.db2.gz VCGIERYHGYZRAW-UHFFFAOYSA-N -1 1 371.351 2.034 20 0 FEADMM O=C(c1cc(F)ccc1F)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000738247983 598386942 /nfs/dbraw/zinc/38/69/42/598386942.db2.gz VCGIERYHGYZRAW-UHFFFAOYSA-N -1 1 371.351 2.034 20 0 FEADMM Cc1cccc(N(C)C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000737397089 598418721 /nfs/dbraw/zinc/41/87/21/598418721.db2.gz SPGXKDOZBNAYRR-UHFFFAOYSA-N -1 1 366.425 2.488 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)OCC(=O)C(C)C)c1-c1nnn[n-]1 ZINC000737188773 598475595 /nfs/dbraw/zinc/47/55/95/598475595.db2.gz GOAHDLZLBIXAHL-UHFFFAOYSA-N -1 1 361.427 2.243 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)OCC(=O)C(C)C)c1-c1nn[n-]n1 ZINC000737188773 598475596 /nfs/dbraw/zinc/47/55/96/598475596.db2.gz GOAHDLZLBIXAHL-UHFFFAOYSA-N -1 1 361.427 2.243 20 0 FEADMM COC(=O)c1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1OC ZINC000736941062 598573021 /nfs/dbraw/zinc/57/30/21/598573021.db2.gz NSIRSEHMYICRGN-UHFFFAOYSA-N -1 1 374.788 2.322 20 0 FEADMM COC(=O)c1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1OC ZINC000736941062 598573023 /nfs/dbraw/zinc/57/30/23/598573023.db2.gz NSIRSEHMYICRGN-UHFFFAOYSA-N -1 1 374.788 2.322 20 0 FEADMM CCCCN(CCOC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736457125 598586042 /nfs/dbraw/zinc/58/60/42/598586042.db2.gz PRDNOPAERCUAGL-UHFFFAOYSA-N -1 1 372.429 2.448 20 0 FEADMM CCCCN(CCOC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736457125 598586044 /nfs/dbraw/zinc/58/60/44/598586044.db2.gz PRDNOPAERCUAGL-UHFFFAOYSA-N -1 1 372.429 2.448 20 0 FEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@H]2CCOCO2)n1 ZINC000737246502 598635126 /nfs/dbraw/zinc/63/51/26/598635126.db2.gz VLPXGPPOEGPYHO-MRVPVSSYSA-N -1 1 361.349 2.444 20 0 FEADMM Cc1cccc2c1N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737411261 598663889 /nfs/dbraw/zinc/66/38/89/598663889.db2.gz YFDNZAUXRNGOCX-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM CN(C1CCCCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736780055 598688572 /nfs/dbraw/zinc/68/85/72/598688572.db2.gz SFHDULVRENMDEJ-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM Cc1cccc(OC[C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737402276 598746592 /nfs/dbraw/zinc/74/65/92/598746592.db2.gz UQSASPLDTPYKJN-SECBINFHSA-N -1 1 366.834 2.137 20 0 FEADMM Cc1cccc(OC[C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737402276 598746593 /nfs/dbraw/zinc/74/65/93/598746593.db2.gz UQSASPLDTPYKJN-SECBINFHSA-N -1 1 366.834 2.137 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@H](O)c1ccccc1 ZINC000808340670 674454259 /nfs/dbraw/zinc/45/42/59/674454259.db2.gz QJXPXRKTRRNPHC-ZANVPECISA-N -1 1 360.229 2.443 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccccc2)c(F)c1 ZINC000808341682 674454466 /nfs/dbraw/zinc/45/44/66/674454466.db2.gz XYXPICXSNUAXMS-ZUZCIYMTSA-N -1 1 357.378 2.374 20 0 FEADMM COC(=O)CCSCc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000736918366 598755686 /nfs/dbraw/zinc/75/56/86/598755686.db2.gz AFVVSOIHRYTICH-UHFFFAOYSA-N -1 1 371.426 2.197 20 0 FEADMM COC(=O)CCSCc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000736918366 598755687 /nfs/dbraw/zinc/75/56/87/598755687.db2.gz AFVVSOIHRYTICH-UHFFFAOYSA-N -1 1 371.426 2.197 20 0 FEADMM Cc1cccc(C)c1OCCCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000737390685 598788923 /nfs/dbraw/zinc/78/89/23/598788923.db2.gz VGFGXRBOMHVTIX-UHFFFAOYSA-N -1 1 354.414 2.126 20 0 FEADMM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736401094 599332450 /nfs/dbraw/zinc/33/24/50/599332450.db2.gz VCTKGFVEJQPZRV-LLVKDONJSA-N -1 1 355.851 2.473 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820711395 599339802 /nfs/dbraw/zinc/33/98/02/599339802.db2.gz YBAQZYRQQPSDFT-SNVBAGLBSA-N -1 1 355.851 2.331 20 0 FEADMM O=S(=O)(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C1CC1 ZINC000823577872 599345469 /nfs/dbraw/zinc/34/54/69/599345469.db2.gz BZJFXTRNEMCXOK-UHFFFAOYSA-N -1 1 361.452 2.177 20 0 FEADMM C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820710369 599346490 /nfs/dbraw/zinc/34/64/90/599346490.db2.gz PWTJVIVHPPCPBJ-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820710369 599346491 /nfs/dbraw/zinc/34/64/91/599346491.db2.gz PWTJVIVHPPCPBJ-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823607391 599359554 /nfs/dbraw/zinc/35/95/54/599359554.db2.gz TVYAQBLWPVGHKL-CMPLNLGQSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823607391 599359557 /nfs/dbraw/zinc/35/95/57/599359557.db2.gz TVYAQBLWPVGHKL-CMPLNLGQSA-N -1 1 367.862 2.473 20 0 FEADMM CCCC[C@H](COC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736439824 599378015 /nfs/dbraw/zinc/37/80/15/599378015.db2.gz ZMUKSRHFCWONEP-CYBMUJFWSA-N -1 1 372.429 2.494 20 0 FEADMM CCCC[C@H](COC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736439824 599378018 /nfs/dbraw/zinc/37/80/18/599378018.db2.gz ZMUKSRHFCWONEP-CYBMUJFWSA-N -1 1 372.429 2.494 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)cc1C ZINC000822241090 599379795 /nfs/dbraw/zinc/37/97/95/599379795.db2.gz KRFSEUQRBNZMHO-JYRVWZFOSA-N -1 1 366.406 2.339 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)cc1C ZINC000822241090 599379798 /nfs/dbraw/zinc/37/97/98/599379798.db2.gz KRFSEUQRBNZMHO-JYRVWZFOSA-N -1 1 366.406 2.339 20 0 FEADMM FC(F)(F)CN1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000822718190 599507724 /nfs/dbraw/zinc/50/77/24/599507724.db2.gz BWOCTJDQFLRBCV-SNVBAGLBSA-N -1 1 363.347 2.463 20 0 FEADMM FC(F)(F)CN1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000822718190 599507726 /nfs/dbraw/zinc/50/77/26/599507726.db2.gz BWOCTJDQFLRBCV-SNVBAGLBSA-N -1 1 363.347 2.463 20 0 FEADMM Cc1cc([C@@](C)(O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c(C)o1 ZINC000822191488 599576728 /nfs/dbraw/zinc/57/67/28/599576728.db2.gz JSQDVBLHVLZCBI-SFHVURJKSA-N -1 1 365.397 2.339 20 0 FEADMM Cc1cc([C@@](C)(O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c(C)o1 ZINC000822191488 599576731 /nfs/dbraw/zinc/57/67/31/599576731.db2.gz JSQDVBLHVLZCBI-SFHVURJKSA-N -1 1 365.397 2.339 20 0 FEADMM O=C([O-])NCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000739946477 599753555 /nfs/dbraw/zinc/75/35/55/599753555.db2.gz CHPHRVGLYFLMEY-UHFFFAOYSA-N -1 1 363.395 2.084 20 0 FEADMM CCOCCN(CC)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000737169765 599763549 /nfs/dbraw/zinc/76/35/49/599763549.db2.gz DSYJTNNPHYYTOS-KRWDZBQOSA-N -1 1 361.442 2.080 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)c1 ZINC000738142727 599804835 /nfs/dbraw/zinc/80/48/35/599804835.db2.gz GCGKPPHMEMILMS-UHFFFAOYSA-N -1 1 370.409 2.451 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(F)ccc2C)c(C(=O)[O-])s1 ZINC000737681596 599813985 /nfs/dbraw/zinc/81/39/85/599813985.db2.gz SLXWSIPRXGQXQG-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM CN1C(=O)CCc2cc(NS(=O)(=O)c3ccsc3C(=O)[O-])ccc21 ZINC000737507302 599854902 /nfs/dbraw/zinc/85/49/02/599854902.db2.gz KARCEXCQKIPFSZ-UHFFFAOYSA-N -1 1 366.420 2.156 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCc2ccc(O)cc2CC1 ZINC000736213467 599955614 /nfs/dbraw/zinc/95/56/14/599955614.db2.gz DUNRLIBGJQUBMT-CQSZACIVSA-N -1 1 368.433 2.196 20 0 FEADMM Cc1cnn([C@H]2CCCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738807739 599976815 /nfs/dbraw/zinc/97/68/15/599976815.db2.gz BVAVBTCGFGUHKI-YJBOKZPZSA-N -1 1 370.453 2.232 20 0 FEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000737358305 600102696 /nfs/dbraw/zinc/10/26/96/600102696.db2.gz LLBMIENVJNSOHT-HKUYNNGSSA-N -1 1 372.440 2.358 20 0 FEADMM CCC[C@](C)(NCC(=O)NCC1(c2ccccc2)CCOCC1)C(=O)[O-] ZINC000736961368 600156964 /nfs/dbraw/zinc/15/69/64/600156964.db2.gz APYIDRCADJCUHU-IBGZPJMESA-N -1 1 362.470 2.084 20 0 FEADMM CNC(=O)c1cccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC000737550150 600284597 /nfs/dbraw/zinc/28/45/97/600284597.db2.gz DXDQXOVYBKXPCD-HNNXBMFYSA-N -1 1 367.449 2.455 20 0 FEADMM COC(=O)[C@H]1CC12CCN([C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC000737578506 600290910 /nfs/dbraw/zinc/29/09/10/600290910.db2.gz DUYWJZJBUSGPFC-DZGCQCFKSA-N -1 1 374.437 2.295 20 0 FEADMM Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738737813 600296420 /nfs/dbraw/zinc/29/64/20/600296420.db2.gz MDRGKPYRVHYQER-NVXWUHKLSA-N -1 1 360.454 2.065 20 0 FEADMM CC(C)Oc1cccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736493872 600305982 /nfs/dbraw/zinc/30/59/82/600305982.db2.gz DSDOAVYMCAMHEN-KRWDZBQOSA-N -1 1 360.454 2.277 20 0 FEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1C ZINC000738625727 600309833 /nfs/dbraw/zinc/30/98/33/600309833.db2.gz WYVSXQXBFIIQCL-HNNXBMFYSA-N -1 1 359.426 2.138 20 0 FEADMM NC(=O)N1CCCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000738438668 600374224 /nfs/dbraw/zinc/37/42/24/600374224.db2.gz CLVREHOTJPVMMY-UHFFFAOYSA-N -1 1 351.403 2.325 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000649464562 600424371 /nfs/dbraw/zinc/42/43/71/600424371.db2.gz IASGZZBHPNCOFS-BFHYXJOUSA-N -1 1 356.344 2.117 20 0 FEADMM Cc1oc(NC(=O)CN2C[C@@H](C)Oc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822548843 607451298 /nfs/dbraw/zinc/45/12/98/607451298.db2.gz PFMIAQDDTKKGTL-SNVBAGLBSA-N -1 1 368.397 2.303 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C(=O)[O-] ZINC000736863786 600563636 /nfs/dbraw/zinc/56/36/36/600563636.db2.gz PGNPRNCJBRUACC-KRWDZBQOSA-N -1 1 368.455 2.195 20 0 FEADMM CCN(C)[C@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000737069311 600619445 /nfs/dbraw/zinc/61/94/45/600619445.db2.gz RJADQOPXGXLLOF-IBGZPJMESA-N -1 1 356.422 2.459 20 0 FEADMM CC[NH+](CC)Cc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)o1 ZINC000737089038 600625982 /nfs/dbraw/zinc/62/59/82/600625982.db2.gz VVWQAXWJXRCEIS-UHFFFAOYSA-N -1 1 352.416 2.242 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c[nH]1 ZINC000831348395 600678997 /nfs/dbraw/zinc/67/89/97/600678997.db2.gz IOPHKLPYPLMHEE-UHFFFAOYSA-N -1 1 366.395 2.424 20 0 FEADMM CCn1ncc2c1CCC[C@@H]2N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830451160 600693549 /nfs/dbraw/zinc/69/35/49/600693549.db2.gz IGVBNCOAUZYAPI-KBPBESRZSA-N -1 1 374.466 2.435 20 0 FEADMM CCn1ncc2c1CCC[C@H]2N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830451164 600693751 /nfs/dbraw/zinc/69/37/51/600693751.db2.gz IGVBNCOAUZYAPI-KGLIPLIRSA-N -1 1 374.466 2.435 20 0 FEADMM CN1CCN(c2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)ccn2)CC1 ZINC000830960724 600697623 /nfs/dbraw/zinc/69/76/23/600697623.db2.gz YRPUSMHYKZGXTL-UHFFFAOYSA-N -1 1 365.393 2.249 20 0 FEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCc1cnn(C)c1)CC2 ZINC000652452857 600710712 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COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826138300 607491363 /nfs/dbraw/zinc/49/13/63/607491363.db2.gz OKGMLOCEMTYLMB-UHFFFAOYSA-N -1 1 372.816 2.090 20 0 FEADMM COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826138300 607491365 /nfs/dbraw/zinc/49/13/65/607491365.db2.gz OKGMLOCEMTYLMB-UHFFFAOYSA-N -1 1 372.816 2.090 20 0 FEADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222927 601083841 /nfs/dbraw/zinc/08/38/41/601083841.db2.gz GNYVIFJIDNTTGU-NXOAAHMSSA-N -1 1 354.491 2.368 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630226395 601086229 /nfs/dbraw/zinc/08/62/29/601086229.db2.gz XQSKSJRMDPRIRK-QWHCGFSZSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000630221819 601087059 /nfs/dbraw/zinc/08/70/59/601087059.db2.gz CBXIZQLODFVDPG-GFCCVEGCSA-N -1 1 374.359 2.092 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000827355147 601096898 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C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000827369089 601130104 /nfs/dbraw/zinc/13/01/04/601130104.db2.gz NSNRQLDPWUJUAY-LBPRGKRZSA-N -1 1 363.414 2.207 20 0 FEADMM COc1ccc(Cl)c(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832362284 601131006 /nfs/dbraw/zinc/13/10/06/601131006.db2.gz FEKVMMMGVNRTSW-LLVKDONJSA-N -1 1 355.822 2.361 20 0 FEADMM COC[C@](C)(CC(=O)[O-])NCc1cc2c(cc1Br)OCCO2 ZINC000831579277 601134619 /nfs/dbraw/zinc/13/46/19/601134619.db2.gz YYEHXGYJMROICU-HNNXBMFYSA-N -1 1 374.231 2.190 20 0 FEADMM CN(C)[C@H](CNC(=O)NCCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000830582150 601149907 /nfs/dbraw/zinc/14/99/07/601149907.db2.gz YMWXJYYXLQYEBR-CYBMUJFWSA-N -1 1 359.879 2.060 20 0 FEADMM COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000831059686 601205613 /nfs/dbraw/zinc/20/56/13/601205613.db2.gz JJZQYMICJPFBIU-UGSOOPFHSA-N -1 1 370.405 2.463 20 0 FEADMM CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C[C@H]1C ZINC000829759716 601249665 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FEADMM Cc1nc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)sc1C(=O)[O-] ZINC000833004081 601435658 /nfs/dbraw/zinc/43/56/58/601435658.db2.gz QSXBOMOAPJLNKH-CYBMUJFWSA-N -1 1 360.439 2.395 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000832909599 601530655 /nfs/dbraw/zinc/53/06/55/601530655.db2.gz PMURKMCULRJLEJ-BBRMVZONSA-N -1 1 356.426 2.080 20 0 FEADMM CCCc1nnc([C@H]2CN(Cc3cc(C(=O)[O-])sc3C)CCO2)[nH]1 ZINC000829570999 601646725 /nfs/dbraw/zinc/64/67/25/601646725.db2.gz NDQFLWIVQRFWMZ-GFCCVEGCSA-N -1 1 350.444 2.399 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(Cc3cc(C(=O)[O-])sc3C)CCO2)n1 ZINC000829570999 601646728 /nfs/dbraw/zinc/64/67/28/601646728.db2.gz NDQFLWIVQRFWMZ-GFCCVEGCSA-N -1 1 350.444 2.399 20 0 FEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000663130013 601722338 /nfs/dbraw/zinc/72/23/38/601722338.db2.gz CJVVAUQBOHQRRP-NRFANRHFSA-N -1 1 368.433 2.292 20 0 FEADMM CCCCC[C@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000829333600 601747418 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WRISGXBIOUEXDE-NWDGAFQWSA-N -1 1 374.890 2.437 20 0 FEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000828422707 601842602 /nfs/dbraw/zinc/84/26/02/601842602.db2.gz IUOUJFVIKNEWIO-QMTHXVAHSA-N -1 1 360.863 2.045 20 0 FEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000833334370 601854903 /nfs/dbraw/zinc/85/49/03/601854903.db2.gz DBYGQMZLKQGPAO-GFCCVEGCSA-N -1 1 363.391 2.353 20 0 FEADMM COCCOc1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831784912 601859730 /nfs/dbraw/zinc/85/97/30/601859730.db2.gz YNVODHSUHVVBST-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000832977787 601923002 /nfs/dbraw/zinc/92/30/02/601923002.db2.gz YPUSXJWUUFNVJZ-KKUMJFAQSA-N -1 1 350.484 2.453 20 0 FEADMM Cc1ccccc1-n1cnnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826306384 607538227 /nfs/dbraw/zinc/53/82/27/607538227.db2.gz XPIHUCYQTMHONX-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM Cc1ccccc1-n1cnnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826306384 607538229 /nfs/dbraw/zinc/53/82/29/607538229.db2.gz XPIHUCYQTMHONX-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000833301150 602027807 /nfs/dbraw/zinc/02/78/07/602027807.db2.gz QCVWWDMISZNCQL-CYBMUJFWSA-N -1 1 370.409 2.003 20 0 FEADMM CCn1c(=O)c2sccc2nc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825796409 607543555 /nfs/dbraw/zinc/54/35/55/607543555.db2.gz FLULGWHXCPDEIN-UHFFFAOYSA-N -1 1 371.451 2.345 20 0 FEADMM CCn1c(=O)c2sccc2nc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825796409 607543557 /nfs/dbraw/zinc/54/35/57/607543557.db2.gz FLULGWHXCPDEIN-UHFFFAOYSA-N -1 1 371.451 2.345 20 0 FEADMM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739292790 602138209 /nfs/dbraw/zinc/13/82/09/602138209.db2.gz AUHIXZQYTJZTHM-LJQANCHMSA-N -1 1 362.474 2.199 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000833324301 602214824 /nfs/dbraw/zinc/21/48/24/602214824.db2.gz BUAJWCQTAGDSJN-NSHDSACASA-N -1 1 363.313 2.430 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCc2sccc2C1 ZINC000739011663 602263310 /nfs/dbraw/zinc/26/33/10/602263310.db2.gz QPAPXRTYMDFDCL-OCCSQVGLSA-N -1 1 351.472 2.143 20 0 FEADMM COc1ccc(OC)c([C@H](O)CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c1 ZINC000739931362 602264143 /nfs/dbraw/zinc/26/41/43/602264143.db2.gz PULTYJGVGKGJCF-APHBMKBZSA-N -1 1 352.431 2.248 20 0 FEADMM CC(=O)c1cccc(OC[C@H](O)CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c1 ZINC000738603903 602273759 /nfs/dbraw/zinc/27/37/59/602273759.db2.gz XERVQTQEPLHZGR-QBIMZIAESA-N -1 1 364.442 2.140 20 0 FEADMM CS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2O)cc(C(=O)[O-])c1 ZINC000832713534 602300577 /nfs/dbraw/zinc/30/05/77/602300577.db2.gz GMJLGAAMYLHSRR-UHFFFAOYSA-N -1 1 369.782 2.400 20 0 FEADMM CCCc1cc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)[nH]n1 ZINC000325740554 602305440 /nfs/dbraw/zinc/30/54/40/602305440.db2.gz GCLMLBIPCNUROY-UHFFFAOYSA-N -1 1 353.400 2.017 20 0 FEADMM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825782490 607562741 /nfs/dbraw/zinc/56/27/41/607562741.db2.gz FSYHZDRLKBMSLC-AWEZNQCLSA-N -1 1 351.414 2.199 20 0 FEADMM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825782490 607562742 /nfs/dbraw/zinc/56/27/42/607562742.db2.gz FSYHZDRLKBMSLC-AWEZNQCLSA-N -1 1 351.414 2.199 20 0 FEADMM Cc1ccccc1C[C@H](C)NC(=O)CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000740181701 602382706 /nfs/dbraw/zinc/38/27/06/602382706.db2.gz QPDSSPILLYXOKJ-INIZCTEOSA-N -1 1 361.486 2.364 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738604655 602384890 /nfs/dbraw/zinc/38/48/90/602384890.db2.gz SEYZITHRPKSOHT-AWEZNQCLSA-N -1 1 365.449 2.494 20 0 FEADMM COc1cccc(CNC(=O)[C@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000739948594 602446410 /nfs/dbraw/zinc/44/64/10/602446410.db2.gz ZTWLTYSFLNPOCL-KGLIPLIRSA-N -1 1 363.458 2.068 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000739020567 602449309 /nfs/dbraw/zinc/44/93/09/602449309.db2.gz BAXBNYFUHQSWLL-IVKJLDKCSA-N -1 1 363.502 2.440 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000739020468 602464346 /nfs/dbraw/zinc/46/43/46/602464346.db2.gz AFRIASIVYQEHEZ-CYBMUJFWSA-N -1 1 351.422 2.152 20 0 FEADMM CN1CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc21 ZINC000826023128 607569178 /nfs/dbraw/zinc/56/91/78/607569178.db2.gz XPHOZMHINNJSJG-CYBMUJFWSA-N -1 1 350.382 2.135 20 0 FEADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830815849 677062532 /nfs/dbraw/zinc/06/25/32/677062532.db2.gz GOLNVNJXOZNIDH-WFASDCNBSA-N -1 1 352.397 2.497 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739998099 602514475 /nfs/dbraw/zinc/51/44/75/602514475.db2.gz ZVRGATXGVCTCPT-UHFFFAOYSA-N -1 1 363.395 2.078 20 0 FEADMM O=S(=O)(Oc1cccc(Cl)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493358 607572297 /nfs/dbraw/zinc/57/22/97/607572297.db2.gz HDZBOVCYPZTARL-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1cccc(Cl)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493358 607572299 /nfs/dbraw/zinc/57/22/99/607572299.db2.gz HDZBOVCYPZTARL-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM CCCN(CC(=O)N[C@@H](C)c1ccccc1OC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352632 602545278 /nfs/dbraw/zinc/54/52/78/602545278.db2.gz DSMIEFWZROLRTI-LSDHHAIUSA-N -1 1 363.458 2.337 20 0 FEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000738928204 602611398 /nfs/dbraw/zinc/61/13/98/602611398.db2.gz ODLGCZWAPIXWRA-UONOGXRCSA-N -1 1 352.435 2.104 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739607762 602703299 /nfs/dbraw/zinc/70/32/99/602703299.db2.gz LLFBSWYAVIMMRW-CJNGLKHVSA-N -1 1 366.437 2.118 20 0 FEADMM C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739066685 602706322 /nfs/dbraw/zinc/70/63/22/602706322.db2.gz YDUBZMOFDWBYDR-ZIAGYGMSSA-N -1 1 363.462 2.016 20 0 FEADMM O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487717 607582651 /nfs/dbraw/zinc/58/26/51/607582651.db2.gz XNNULTUYTIOZRW-INIZCTEOSA-N -1 1 373.413 2.435 20 0 FEADMM C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824377437 607584403 /nfs/dbraw/zinc/58/44/03/607584403.db2.gz DTWBOLLLZPELLB-VIFPVBQESA-N -1 1 367.862 2.472 20 0 FEADMM CC(=O)Nc1ccc2c(CN3CC[C@H](NC(=O)[O-])[C@@H](C)C3)cc(=O)oc2c1 ZINC000738571441 602763347 /nfs/dbraw/zinc/76/33/47/602763347.db2.gz FEPUSJJDIDKNTN-ZBEGNZNMSA-N -1 1 373.409 2.229 20 0 FEADMM C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824377745 607584589 /nfs/dbraw/zinc/58/45/89/607584589.db2.gz MAYCKZHZKCPULG-VIFPVBQESA-N -1 1 367.862 2.472 20 0 FEADMM C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824377745 607584591 /nfs/dbraw/zinc/58/45/91/607584591.db2.gz MAYCKZHZKCPULG-VIFPVBQESA-N -1 1 367.862 2.472 20 0 FEADMM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739180707 602777622 /nfs/dbraw/zinc/77/76/22/602777622.db2.gz ZKVHLIOINOIFAZ-XJKCOSOUSA-N -1 1 351.422 2.151 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)ccc1F ZINC000738559738 602778887 /nfs/dbraw/zinc/77/88/87/602778887.db2.gz GSSLHGVCCGOWTD-UHFFFAOYSA-N -1 1 368.346 2.070 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC000826495297 607586413 /nfs/dbraw/zinc/58/64/13/607586413.db2.gz KLTJYBLBCAEKAA-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)CCC(C)(C)NC(=O)[O-])c2)CC1 ZINC000739736332 602797585 /nfs/dbraw/zinc/79/75/85/602797585.db2.gz JSQRPIAAARGGLQ-UHFFFAOYSA-N -1 1 362.474 2.199 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC(CNC(=O)[O-])CC2)ccc1F ZINC000739609796 602807875 /nfs/dbraw/zinc/80/78/75/602807875.db2.gz HEEQDGQOBOEAPY-UHFFFAOYSA-N -1 1 366.437 2.077 20 0 FEADMM C[C@@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)N1CCc2ccccc2C1 ZINC000739136601 602814116 /nfs/dbraw/zinc/81/41/16/602814116.db2.gz OUYFKNCYMRTGFC-RVKKMQEKSA-N -1 1 374.485 2.121 20 0 FEADMM O=C([O-])NC[C@H](C(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000832413770 602824719 /nfs/dbraw/zinc/82/47/19/602824719.db2.gz FCWDPPBUYCMNND-INIZCTEOSA-N -1 1 351.366 2.257 20 0 FEADMM CCC1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825192700 607592261 /nfs/dbraw/zinc/59/22/61/607592261.db2.gz HMUCKUJARNTWGH-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739136997 602959919 /nfs/dbraw/zinc/95/99/19/602959919.db2.gz PEPYAXMKWVIMGX-DVOMOZLQSA-N -1 1 366.437 2.211 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1ccco1 ZINC000739406500 602961835 /nfs/dbraw/zinc/96/18/35/602961835.db2.gz GXKNMKHCLZFMJR-CABCVRRESA-N -1 1 366.462 2.494 20 0 FEADMM Cc1ccsc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826316257 607599116 /nfs/dbraw/zinc/59/91/16/607599116.db2.gz IPAVPCOVXXNSOZ-UHFFFAOYSA-N -1 1 369.859 2.369 20 0 FEADMM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558757203 674514725 /nfs/dbraw/zinc/51/47/25/674514725.db2.gz BMPGYQMMEDOITF-SNVBAGLBSA-N -1 1 368.842 2.101 20 0 FEADMM C[C@@](CNC(=O)[O-])(NC(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000738924318 603096712 /nfs/dbraw/zinc/09/67/12/603096712.db2.gz JZGHYPDJFKRCTN-IBGZPJMESA-N -1 1 354.410 2.413 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000832568068 603119239 /nfs/dbraw/zinc/11/92/39/603119239.db2.gz LQLQIVRJAMZHSM-VIFPVBQESA-N -1 1 367.203 2.198 20 0 FEADMM CN(C[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1)C(=O)[O-] ZINC000739640026 603127577 /nfs/dbraw/zinc/12/75/77/603127577.db2.gz YSSYKMJLQCWDDL-CYBMUJFWSA-N -1 1 372.429 2.003 20 0 FEADMM CN(C[C@H]1CCCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1)C(=O)[O-] ZINC000739640026 603127580 /nfs/dbraw/zinc/12/75/80/603127580.db2.gz YSSYKMJLQCWDDL-CYBMUJFWSA-N -1 1 372.429 2.003 20 0 FEADMM Cc1cccc2c1CC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305016 607609474 /nfs/dbraw/zinc/60/94/74/607609474.db2.gz HHBOIHNTABOFCI-OAHLLOKOSA-N -1 1 373.413 2.280 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])o1 ZINC000739412174 603216428 /nfs/dbraw/zinc/21/64/28/603216428.db2.gz YRRLOHVMNSLREM-GXTWGEPZSA-N -1 1 367.446 2.355 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000824641201 607614838 /nfs/dbraw/zinc/61/48/38/607614838.db2.gz TWECQXGXVLHXME-SECBINFHSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000824641201 607614839 /nfs/dbraw/zinc/61/48/39/607614839.db2.gz TWECQXGXVLHXME-SECBINFHSA-N -1 1 355.851 2.377 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc1 ZINC000739909796 603236476 /nfs/dbraw/zinc/23/64/76/603236476.db2.gz QTXSIXRSBYPFGD-YOEHRIQHSA-N -1 1 363.458 2.164 20 0 FEADMM O=C([O-])N1CCC[C@@H](NC(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000739403863 603295179 /nfs/dbraw/zinc/29/51/79/603295179.db2.gz HLOXLBFNAAHBOO-HUUCEWRRSA-N -1 1 364.446 2.248 20 0 FEADMM COc1cc(NC(=O)c2ncoc2C2CC2)ccc1[N-]S(C)(=O)=O ZINC000559022893 674524169 /nfs/dbraw/zinc/52/41/69/674524169.db2.gz XOXZLDSUOGMJGS-UHFFFAOYSA-N -1 1 351.384 2.184 20 0 FEADMM CCN(CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)C(=O)[O-] ZINC000739394474 603375025 /nfs/dbraw/zinc/37/50/25/603375025.db2.gz WSVIKSXEFMOOIP-QGZVFWFLSA-N -1 1 363.458 2.338 20 0 FEADMM Cc1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1NC(=O)[O-] ZINC000830193725 603426654 /nfs/dbraw/zinc/42/66/54/603426654.db2.gz ZPLZSDJKQWSFDS-MRXNPFEDSA-N -1 1 361.442 2.412 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000826955173 603470010 /nfs/dbraw/zinc/47/00/10/603470010.db2.gz YODCQMWRBVVJEF-ZDUSSCGKSA-N -1 1 374.401 2.453 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(NC(=O)[O-])cc3)CCO2)n1 ZINC000826955173 603470013 /nfs/dbraw/zinc/47/00/13/603470013.db2.gz YODCQMWRBVVJEF-ZDUSSCGKSA-N -1 1 374.401 2.453 20 0 FEADMM COc1ccc(CN2CC[C@@H](NCc3ccc(NC(=O)[O-])nc3)C2=O)cc1 ZINC000829363143 603555491 /nfs/dbraw/zinc/55/54/91/603555491.db2.gz RSDXIOKJXNBVME-MRXNPFEDSA-N -1 1 370.409 2.071 20 0 FEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Nc1cnn(-c3ccncc3)c1)C2 ZINC000831806210 603558424 /nfs/dbraw/zinc/55/84/24/603558424.db2.gz MVEZKTVXWATYRD-PHTAMDTFSA-N -1 1 356.386 2.062 20 0 FEADMM CN(C)[C@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1ccsc1 ZINC000827993427 603652615 /nfs/dbraw/zinc/65/26/15/603652615.db2.gz CKJWILUILGTQQG-MRXNPFEDSA-N -1 1 373.478 2.272 20 0 FEADMM C[C@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]1CNC(=O)[O-] ZINC000825925781 603711910 /nfs/dbraw/zinc/71/19/10/603711910.db2.gz RFEIXXDDNIACAA-SMDDNHRTSA-N -1 1 364.833 2.216 20 0 FEADMM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1O ZINC000832482401 603909789 /nfs/dbraw/zinc/90/97/89/603909789.db2.gz NTAYQZKQQFDCBE-LDYMZIIASA-N -1 1 357.204 2.321 20 0 FEADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1O ZINC000832482398 603909929 /nfs/dbraw/zinc/90/99/29/603909929.db2.gz NTAYQZKQQFDCBE-KCJUWKMLSA-N -1 1 357.204 2.321 20 0 FEADMM CCc1ocnc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000827680445 603912729 /nfs/dbraw/zinc/91/27/29/603912729.db2.gz IELFWSPZCMJGTQ-UHFFFAOYSA-N -1 1 356.342 2.042 20 0 FEADMM CCc1ocnc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000827680445 603912731 /nfs/dbraw/zinc/91/27/31/603912731.db2.gz IELFWSPZCMJGTQ-UHFFFAOYSA-N -1 1 356.342 2.042 20 0 FEADMM C[C@@H](NC(=O)[O-])C(=O)OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000825193217 603914946 /nfs/dbraw/zinc/91/49/46/603914946.db2.gz HHDWNQGBUUKYME-NEPJUHHUSA-N -1 1 356.369 2.376 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000827229119 603942400 /nfs/dbraw/zinc/94/24/00/603942400.db2.gz UVVDAKRDADBPCT-GJZGRUSLSA-N -1 1 360.458 2.203 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])c1ccc(Cl)cc1 ZINC000827995834 603970201 /nfs/dbraw/zinc/97/02/01/603970201.db2.gz VFGHIJFLTBXNFD-CHWSQXEVSA-N -1 1 357.863 2.112 20 0 FEADMM CC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825194097 607668689 /nfs/dbraw/zinc/66/86/89/607668689.db2.gz OZXVSOGRHOWJIM-KOLCDFICSA-N -1 1 355.851 2.377 20 0 FEADMM CC1(C)CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824801694 607664810 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O=S(=O)(Oc1ccc(Cl)nc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493610 607677739 /nfs/dbraw/zinc/67/77/39/607677739.db2.gz SVRDKWWASZQUGA-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)nc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493610 607677741 /nfs/dbraw/zinc/67/77/41/607677741.db2.gz SVRDKWWASZQUGA-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM Cc1cccn2c(=O)cc(CN3CCC(N(CC4CC4)C(=O)[O-])CC3)nc12 ZINC000830591056 604228798 /nfs/dbraw/zinc/22/87/98/604228798.db2.gz KXLRSUNDHJJOOE-UHFFFAOYSA-N -1 1 370.453 2.357 20 0 FEADMM COc1cccc(-c2cc(C(=O)N(C)CC(C)(C)CNC(=O)[O-])n[nH]2)c1 ZINC000829527013 604270693 /nfs/dbraw/zinc/27/06/93/604270693.db2.gz RGCSNJLBGRDJGV-UHFFFAOYSA-N -1 1 360.414 2.451 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)n2)cc1 ZINC000832907612 604284576 /nfs/dbraw/zinc/28/45/76/604284576.db2.gz DIXGVYQWPBBOSC-CYBMUJFWSA-N -1 1 362.455 2.488 20 0 FEADMM COc1cc(OC)cc([C@H](OC(=O)[C@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832067495 604599954 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O=C([O-])N1CC[C@@H](C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834070795 605383637 /nfs/dbraw/zinc/38/36/37/605383637.db2.gz JCFNUSYPILFHIL-KGLIPLIRSA-N -1 1 355.398 2.135 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000834287370 605424408 /nfs/dbraw/zinc/42/44/08/605424408.db2.gz KCLDFEWZPNVDHW-HOTGVXAUSA-N -1 1 369.425 2.466 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000825815320 605496970 /nfs/dbraw/zinc/49/69/70/605496970.db2.gz BUKWQBBSAUQVCU-ILXRZTDVSA-N -1 1 364.446 2.247 20 0 FEADMM O=C([O-])N1CCC[C@H](NC(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000739403864 605643431 /nfs/dbraw/zinc/64/34/31/605643431.db2.gz HLOXLBFNAAHBOO-LSDHHAIUSA-N -1 1 364.446 2.248 20 0 FEADMM CCOc1cc(Cl)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825615946 607768383 /nfs/dbraw/zinc/76/83/83/607768383.db2.gz QIMXKHCATGGTDU-UHFFFAOYSA-N -1 1 358.789 2.244 20 0 FEADMM CCOc1cc(Cl)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825615946 607768384 /nfs/dbraw/zinc/76/83/84/607768384.db2.gz QIMXKHCATGGTDU-UHFFFAOYSA-N -1 1 358.789 2.244 20 0 FEADMM O=C(N[C@@H]1CCOC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826431544 607771391 /nfs/dbraw/zinc/77/13/91/607771391.db2.gz FFCCTGSBUBNSJZ-GFCCVEGCSA-N -1 1 369.356 2.317 20 0 FEADMM O=C(N[C@@H]1CCOC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826431544 607771392 /nfs/dbraw/zinc/77/13/92/607771392.db2.gz FFCCTGSBUBNSJZ-GFCCVEGCSA-N -1 1 369.356 2.317 20 0 FEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3cccc(F)c3)cc2C1 ZINC000834119645 605877667 /nfs/dbraw/zinc/87/76/67/605877667.db2.gz GFUUYJNWLZCYIH-UHFFFAOYSA-N -1 1 351.359 2.058 20 0 FEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCCCc3ccccc3)C2)CC1 ZINC000834007954 605897024 /nfs/dbraw/zinc/89/70/24/605897024.db2.gz PMHKEQBHAKQETF-UHFFFAOYSA-N -1 1 359.470 2.201 20 0 FEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCc3ccc(Cl)cc3)C2)CC1 ZINC000834007922 605902401 /nfs/dbraw/zinc/90/24/01/605902401.db2.gz PDGINQUTFGUZAJ-UHFFFAOYSA-N -1 1 365.861 2.422 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)c3cc(F)cc4[nH]cnc43)cc2C1 ZINC000834057799 605919458 /nfs/dbraw/zinc/91/94/58/605919458.db2.gz OMCGVSLMSFJSKB-UHFFFAOYSA-N -1 1 355.329 2.385 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C(=O)[O-])c1 ZINC000833510611 605936304 /nfs/dbraw/zinc/93/63/04/605936304.db2.gz MPCJPRJXTDPDMZ-JSGCOSHPSA-N -1 1 373.453 2.188 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c(C(=O)[O-])c1 ZINC000833510611 605936308 /nfs/dbraw/zinc/93/63/08/605936308.db2.gz MPCJPRJXTDPDMZ-JSGCOSHPSA-N -1 1 373.453 2.188 20 0 FEADMM O=C([O-])N1CC[C@H](CCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834075462 606093775 /nfs/dbraw/zinc/09/37/75/606093775.db2.gz LEIHCLZVUPNLPN-JSGCOSHPSA-N -1 1 361.446 2.168 20 0 FEADMM COc1ccc([C@@H](CCO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821777567 606101610 /nfs/dbraw/zinc/10/16/10/606101610.db2.gz IHFDBHIQGBEPGU-CYBMUJFWSA-N -1 1 360.805 2.459 20 0 FEADMM COc1ccc([C@@H](CCO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821777567 606101613 /nfs/dbraw/zinc/10/16/13/606101613.db2.gz IHFDBHIQGBEPGU-CYBMUJFWSA-N -1 1 360.805 2.459 20 0 FEADMM CCN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821154956 606134209 /nfs/dbraw/zinc/13/42/09/606134209.db2.gz TWXUHYYASMZWMI-UHFFFAOYSA-N -1 1 357.395 2.138 20 0 FEADMM CCN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821154956 606134212 /nfs/dbraw/zinc/13/42/12/606134212.db2.gz TWXUHYYASMZWMI-UHFFFAOYSA-N -1 1 357.395 2.138 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc(F)c(F)c1 ZINC000823027339 606138438 /nfs/dbraw/zinc/13/84/38/606138438.db2.gz RJPMODZKISNAGP-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc(F)c(F)c1 ZINC000823027339 606138439 /nfs/dbraw/zinc/13/84/39/606138439.db2.gz RJPMODZKISNAGP-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668415 606158332 /nfs/dbraw/zinc/15/83/32/606158332.db2.gz SFZDMVCFPLBXEN-QMTHXVAHSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668415 606158334 /nfs/dbraw/zinc/15/83/34/606158334.db2.gz SFZDMVCFPLBXEN-QMTHXVAHSA-N -1 1 370.392 2.354 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000822614957 606161795 /nfs/dbraw/zinc/16/17/95/606161795.db2.gz YCDAQLQOHAEEFF-HIFRSBDPSA-N -1 1 366.429 2.133 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000822614957 606161797 /nfs/dbraw/zinc/16/17/97/606161797.db2.gz YCDAQLQOHAEEFF-HIFRSBDPSA-N -1 1 366.429 2.133 20 0 FEADMM CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)n1 ZINC000821593875 606164082 /nfs/dbraw/zinc/16/40/82/606164082.db2.gz NWILJVSCYJLPLQ-UHFFFAOYSA-N -1 1 361.450 2.249 20 0 FEADMM CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)n1 ZINC000821593875 606164083 /nfs/dbraw/zinc/16/40/83/606164083.db2.gz NWILJVSCYJLPLQ-UHFFFAOYSA-N -1 1 361.450 2.249 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCc3c2cccc3Cl)n1 ZINC000822613115 606168781 /nfs/dbraw/zinc/16/87/81/606168781.db2.gz AQWPJLZXAVXOEI-LBPRGKRZSA-N -1 1 358.793 2.063 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCc3c2cccc3Cl)n1 ZINC000822613115 606168782 /nfs/dbraw/zinc/16/87/82/606168782.db2.gz AQWPJLZXAVXOEI-LBPRGKRZSA-N -1 1 358.793 2.063 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCSc3ccc(F)cc32)n1 ZINC000822614610 606168915 /nfs/dbraw/zinc/16/89/15/606168915.db2.gz OOSBOQJMTYQQNZ-NSHDSACASA-N -1 1 374.405 2.098 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCSc3ccc(F)cc32)n1 ZINC000822614610 606168917 /nfs/dbraw/zinc/16/89/17/606168917.db2.gz OOSBOQJMTYQQNZ-NSHDSACASA-N -1 1 374.405 2.098 20 0 FEADMM O=C(OC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823392157 606180452 /nfs/dbraw/zinc/18/04/52/606180452.db2.gz LXEGHSOIOSMZPX-UHFFFAOYSA-N -1 1 361.349 2.112 20 0 FEADMM O=C(OC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823392157 606180453 /nfs/dbraw/zinc/18/04/53/606180453.db2.gz LXEGHSOIOSMZPX-UHFFFAOYSA-N -1 1 361.349 2.112 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cnn(C(F)F)c2)C1)C(F)(F)F ZINC000810201537 674536857 /nfs/dbraw/zinc/53/68/57/674536857.db2.gz OWICSFRVFDPKPW-MRVPVSSYSA-N -1 1 369.294 2.201 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)Cn1cccn1 ZINC000822540402 606411139 /nfs/dbraw/zinc/41/11/39/606411139.db2.gz AHDSJUKJAQIBQK-NSHDSACASA-N -1 1 367.369 2.001 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)Cn1cccn1 ZINC000822540402 606411140 /nfs/dbraw/zinc/41/11/40/606411140.db2.gz AHDSJUKJAQIBQK-NSHDSACASA-N -1 1 367.369 2.001 20 0 FEADMM Cc1ccccc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822362180 606494099 /nfs/dbraw/zinc/49/40/99/606494099.db2.gz NJPULUVMBJGWEN-UHFFFAOYSA-N -1 1 354.439 2.199 20 0 FEADMM Cc1ccccc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822362180 606494097 /nfs/dbraw/zinc/49/40/97/606494097.db2.gz NJPULUVMBJGWEN-UHFFFAOYSA-N -1 1 354.439 2.199 20 0 FEADMM O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823254496 606502131 /nfs/dbraw/zinc/50/21/31/606502131.db2.gz WOBLYDOFSCPRCH-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823254496 606502133 /nfs/dbraw/zinc/50/21/33/606502133.db2.gz WOBLYDOFSCPRCH-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCc2sccc2C1 ZINC000820270149 606506146 /nfs/dbraw/zinc/50/61/46/606506146.db2.gz WFZMFLAYONPAEX-SNVBAGLBSA-N -1 1 374.495 2.166 20 0 FEADMM CNC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000821635118 606514793 /nfs/dbraw/zinc/51/47/93/606514793.db2.gz NAHMNZKFFSXHGD-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CNC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1Cl ZINC000821635118 606514794 /nfs/dbraw/zinc/51/47/94/606514794.db2.gz NAHMNZKFFSXHGD-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820533991 606532027 /nfs/dbraw/zinc/53/20/27/606532027.db2.gz IJBNLKUNZWDXGX-LURJTMIESA-N -1 1 368.184 2.303 20 0 FEADMM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820533991 606532029 /nfs/dbraw/zinc/53/20/29/606532029.db2.gz IJBNLKUNZWDXGX-LURJTMIESA-N -1 1 368.184 2.303 20 0 FEADMM C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820814197 606537538 /nfs/dbraw/zinc/53/75/38/606537538.db2.gz SRUAUYGVECEWRE-NSHDSACASA-N -1 1 354.439 2.109 20 0 FEADMM C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820814197 606537539 /nfs/dbraw/zinc/53/75/39/606537539.db2.gz SRUAUYGVECEWRE-NSHDSACASA-N -1 1 354.439 2.109 20 0 FEADMM COc1c(C)cnc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000821698527 606539082 /nfs/dbraw/zinc/53/90/82/606539082.db2.gz NNDSQXDNTYNPAM-UHFFFAOYSA-N -1 1 358.427 2.221 20 0 FEADMM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)n[nH]1 ZINC000822414306 606541123 /nfs/dbraw/zinc/54/11/23/606541123.db2.gz BIXXCMGYMNWFNJ-UHFFFAOYSA-N -1 1 352.383 2.274 20 0 FEADMM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)n[nH]1 ZINC000822414306 606541125 /nfs/dbraw/zinc/54/11/25/606541125.db2.gz BIXXCMGYMNWFNJ-UHFFFAOYSA-N -1 1 352.383 2.274 20 0 FEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(-c2nn[nH]n2)cs1 ZINC000823414346 606563409 /nfs/dbraw/zinc/56/34/09/606563409.db2.gz VFGLYVUCCHSBJX-UHFFFAOYSA-N -1 1 370.346 2.097 20 0 FEADMM CCc1nc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000821505003 606568122 /nfs/dbraw/zinc/56/81/22/606568122.db2.gz OIAVCBGOZSXTCY-SECBINFHSA-N -1 1 359.415 2.241 20 0 FEADMM CCc1nc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000821505003 606568124 /nfs/dbraw/zinc/56/81/24/606568124.db2.gz OIAVCBGOZSXTCY-SECBINFHSA-N -1 1 359.415 2.241 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)c1cccnc1 ZINC000822535098 606578179 /nfs/dbraw/zinc/57/81/79/606578179.db2.gz GOOBZRYUNULIBJ-LLVKDONJSA-N -1 1 363.381 2.445 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)c1cccnc1 ZINC000822535098 606578181 /nfs/dbraw/zinc/57/81/81/606578181.db2.gz GOOBZRYUNULIBJ-LLVKDONJSA-N -1 1 363.381 2.445 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1N1CCOC1=O ZINC000822255055 606581338 /nfs/dbraw/zinc/58/13/38/606581338.db2.gz UIZYUSADJQCEIT-UHFFFAOYSA-N -1 1 370.394 2.446 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1N1CCOC1=O ZINC000822255055 606581339 /nfs/dbraw/zinc/58/13/39/606581339.db2.gz UIZYUSADJQCEIT-UHFFFAOYSA-N -1 1 370.394 2.446 20 0 FEADMM Cc1cc(Cl)ccc1OCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822201921 606651241 /nfs/dbraw/zinc/65/12/41/606651241.db2.gz BPKZHICGAPVIME-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM Cc1cc(Cl)ccc1OCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822201921 606651242 /nfs/dbraw/zinc/65/12/42/606651242.db2.gz BPKZHICGAPVIME-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM CCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000821465403 606651828 /nfs/dbraw/zinc/65/18/28/606651828.db2.gz GKHYUAAFHZLYLN-UHFFFAOYSA-N -1 1 355.402 2.133 20 0 FEADMM CCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000821465403 606651829 /nfs/dbraw/zinc/65/18/29/606651829.db2.gz GKHYUAAFHZLYLN-UHFFFAOYSA-N -1 1 355.402 2.133 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000821976302 606658439 /nfs/dbraw/zinc/65/84/39/606658439.db2.gz AAQWTLHVPBTVGP-UHFFFAOYSA-N -1 1 360.374 2.389 20 0 FEADMM COc1cc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000821707932 606698296 /nfs/dbraw/zinc/69/82/96/606698296.db2.gz IKCQLIOHQNZVJM-UHFFFAOYSA-N -1 1 355.354 2.150 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1C2CCCC1CCC2 ZINC000823601173 606845805 /nfs/dbraw/zinc/84/58/05/606845805.db2.gz UXCSPPWXZPWYKE-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000819921823 606913039 /nfs/dbraw/zinc/91/30/39/606913039.db2.gz BBPXQSAUJPGQKV-HNNXBMFYSA-N -1 1 359.430 2.052 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccn(C)c2)c1-c1nn[n-]n1 ZINC000822487018 606954472 /nfs/dbraw/zinc/95/44/72/606954472.db2.gz XTOALEALJFMVKJ-UHFFFAOYSA-N -1 1 363.381 2.056 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Br)cc1 ZINC000823380248 607025099 /nfs/dbraw/zinc/02/50/99/607025099.db2.gz TXGOICBDJRGGTE-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Br)cc1 ZINC000823380248 607025101 /nfs/dbraw/zinc/02/51/01/607025101.db2.gz TXGOICBDJRGGTE-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820533247 607106095 /nfs/dbraw/zinc/10/60/95/607106095.db2.gz CQCRRLYTGVRIKU-ZCFIWIBFSA-N -1 1 352.326 2.007 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820533247 607106097 /nfs/dbraw/zinc/10/60/97/607106097.db2.gz CQCRRLYTGVRIKU-ZCFIWIBFSA-N -1 1 352.326 2.007 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000823379849 607108688 /nfs/dbraw/zinc/10/86/88/607108688.db2.gz LNDNFNFYFWILMO-MRVPVSSYSA-N -1 1 362.802 2.166 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000823379849 607108689 /nfs/dbraw/zinc/10/86/89/607108689.db2.gz LNDNFNFYFWILMO-MRVPVSSYSA-N -1 1 362.802 2.166 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823797115 607176852 /nfs/dbraw/zinc/17/68/52/607176852.db2.gz KVJVUAZEAIZEQN-DIFFPNOSSA-N -1 1 369.454 2.277 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823797115 607176853 /nfs/dbraw/zinc/17/68/53/607176853.db2.gz KVJVUAZEAIZEQN-DIFFPNOSSA-N -1 1 369.454 2.277 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(CCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000823657912 607237863 /nfs/dbraw/zinc/23/78/63/607237863.db2.gz WNCOPAFDIFPTLF-UHFFFAOYSA-N -1 1 359.389 2.359 20 0 FEADMM CCCN(CC(=O)Nc1ccccc1OC)c1cccc(-c2nnn[n-]2)n1 ZINC000825308226 607902181 /nfs/dbraw/zinc/90/21/81/607902181.db2.gz XRKVMKWCUGXPSY-UHFFFAOYSA-N -1 1 367.413 2.125 20 0 FEADMM CCCN(CC(=O)Nc1ccccc1OC)c1cccc(-c2nn[n-]n2)n1 ZINC000825308226 607902182 /nfs/dbraw/zinc/90/21/82/607902182.db2.gz XRKVMKWCUGXPSY-UHFFFAOYSA-N -1 1 367.413 2.125 20 0 FEADMM CC(C)Cn1ncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(F)F ZINC000824284207 608040311 /nfs/dbraw/zinc/04/03/11/608040311.db2.gz DGGLILCGQTYFHY-UHFFFAOYSA-N -1 1 362.344 2.304 20 0 FEADMM CC(C)Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C(F)F ZINC000824284207 608040312 /nfs/dbraw/zinc/04/03/12/608040312.db2.gz DGGLILCGQTYFHY-UHFFFAOYSA-N -1 1 362.344 2.304 20 0 FEADMM Cc1oc(NC(=O)CN(CC(F)F)CC2CCC2)c(-c2nn[n-]n2)c1C ZINC000826342127 608064885 /nfs/dbraw/zinc/06/48/85/608064885.db2.gz YNTZCHCMBIGLJB-UHFFFAOYSA-N -1 1 368.388 2.382 20 0 FEADMM CC(C)(C)C[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824087494 608147444 /nfs/dbraw/zinc/14/74/44/608147444.db2.gz VTIFRYYJSVFUAQ-CQSZACIVSA-N -1 1 371.420 2.496 20 0 FEADMM CC(C)(C)C[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824087494 608147446 /nfs/dbraw/zinc/14/74/46/608147446.db2.gz VTIFRYYJSVFUAQ-CQSZACIVSA-N -1 1 371.420 2.496 20 0 FEADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825221187 608187708 /nfs/dbraw/zinc/18/77/08/608187708.db2.gz YREWAYZJMNHJAD-VHSXEESVSA-N -1 1 369.882 2.202 20 0 FEADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825221187 608187709 /nfs/dbraw/zinc/18/77/09/608187709.db2.gz YREWAYZJMNHJAD-VHSXEESVSA-N -1 1 369.882 2.202 20 0 FEADMM Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(-c2ccccc2)n1 ZINC000826358712 608277224 /nfs/dbraw/zinc/27/72/24/608277224.db2.gz FGTYNWWTEGHGCQ-UHFFFAOYSA-N -1 1 361.365 2.225 20 0 FEADMM CN1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CC1=O ZINC000826022821 608347382 /nfs/dbraw/zinc/34/73/82/608347382.db2.gz SPUZZOSPCBMZGN-SECBINFHSA-N -1 1 362.459 2.033 20 0 FEADMM CN1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CC1=O ZINC000826022821 608347384 /nfs/dbraw/zinc/34/73/84/608347384.db2.gz SPUZZOSPCBMZGN-SECBINFHSA-N -1 1 362.459 2.033 20 0 FEADMM CCn1c(Cc2ccccc2)nnc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825788274 608393326 /nfs/dbraw/zinc/39/33/26/608393326.db2.gz NYMHNFMXEDXYSL-UHFFFAOYSA-N -1 1 365.426 2.010 20 0 FEADMM CCn1c(Cc2ccccc2)nnc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825788274 608393327 /nfs/dbraw/zinc/39/33/27/608393327.db2.gz NYMHNFMXEDXYSL-UHFFFAOYSA-N -1 1 365.426 2.010 20 0 FEADMM Cc1cc(Br)cc2c1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000826256483 608415479 /nfs/dbraw/zinc/41/54/79/608415479.db2.gz LOIIUHOLILPSTG-UHFFFAOYSA-N -1 1 372.230 2.290 20 0 FEADMM Cc1cc(Br)cc2c1CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000826256483 608415481 /nfs/dbraw/zinc/41/54/81/608415481.db2.gz LOIIUHOLILPSTG-UHFFFAOYSA-N -1 1 372.230 2.290 20 0 FEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000824649420 608427288 /nfs/dbraw/zinc/42/72/88/608427288.db2.gz LSRNNXHLMNAXLE-WPPNPWJKSA-N -1 1 366.212 2.498 20 0 FEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000824649420 608427290 /nfs/dbraw/zinc/42/72/90/608427290.db2.gz LSRNNXHLMNAXLE-WPPNPWJKSA-N -1 1 366.212 2.498 20 0 FEADMM Cc1cc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n(-c2ccccc2)n1 ZINC000826266172 608435689 /nfs/dbraw/zinc/43/56/89/608435689.db2.gz FPDTYMFCRREGEV-GFCCVEGCSA-N -1 1 361.413 2.194 20 0 FEADMM Cc1cc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n(-c2ccccc2)n1 ZINC000826266172 608435691 /nfs/dbraw/zinc/43/56/91/608435691.db2.gz FPDTYMFCRREGEV-GFCCVEGCSA-N -1 1 361.413 2.194 20 0 FEADMM CCc1nn(CCSc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763318 608671311 /nfs/dbraw/zinc/67/13/11/608671311.db2.gz TXWXHOJLXKBRSJ-UHFFFAOYSA-N -1 1 356.455 2.341 20 0 FEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000825961183 608698670 /nfs/dbraw/zinc/69/86/70/608698670.db2.gz BNTDEIREMYWIAG-CQSZACIVSA-N -1 1 372.816 2.350 20 0 FEADMM CC1(C)NC(=O)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000824811803 609276247 /nfs/dbraw/zinc/27/62/47/609276247.db2.gz CSXZOYPCMYCJIC-UHFFFAOYSA-N -1 1 368.422 2.426 20 0 FEADMM O=C(CC[C@H]1CCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826405576 609288279 /nfs/dbraw/zinc/28/82/79/609288279.db2.gz LDWXZQXBDCSZQT-LLVKDONJSA-N -1 1 371.376 2.089 20 0 FEADMM CC[C@@H]1CC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000825184392 609288951 /nfs/dbraw/zinc/28/89/51/609288951.db2.gz TUKVQIDDAXBPBZ-MFKMUULPSA-N -1 1 371.376 2.088 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000826229613 609296437 /nfs/dbraw/zinc/29/64/37/609296437.db2.gz KRWSUTLOIARSKJ-UHFFFAOYSA-N -1 1 364.337 2.220 20 0 FEADMM CCc1nn(Cc2ccccc2SC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763082 609309819 /nfs/dbraw/zinc/30/98/19/609309819.db2.gz NFMXGBRDTRDMQO-UHFFFAOYSA-N -1 1 356.455 2.318 20 0 FEADMM Cc1noc(C2(C)CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000826339394 609315754 /nfs/dbraw/zinc/31/57/54/609315754.db2.gz CCMMABCEJABITH-UHFFFAOYSA-N -1 1 360.809 2.165 20 0 FEADMM Cc1noc(C2(C)CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000826339394 609315755 /nfs/dbraw/zinc/31/57/55/609315755.db2.gz CCMMABCEJABITH-UHFFFAOYSA-N -1 1 360.809 2.165 20 0 FEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H]2CCCN(C)C2=O)n1 ZINC000826261964 609417358 /nfs/dbraw/zinc/41/73/58/609417358.db2.gz AGCMEKGKEVXGJM-SECBINFHSA-N -1 1 372.376 2.302 20 0 FEADMM CN(Cc1ncc(Cl)n1C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825999316 609434905 /nfs/dbraw/zinc/43/49/05/609434905.db2.gz WINPWYDPIPOMMM-UHFFFAOYSA-N -1 1 354.805 2.438 20 0 FEADMM CN(Cc1ncc(Cl)n1C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825999316 609434907 /nfs/dbraw/zinc/43/49/07/609434907.db2.gz WINPWYDPIPOMMM-UHFFFAOYSA-N -1 1 354.805 2.438 20 0 FEADMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1F ZINC000826300275 609571055 /nfs/dbraw/zinc/57/10/55/609571055.db2.gz OCUPFORRBMLSSO-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1F ZINC000826300275 609571057 /nfs/dbraw/zinc/57/10/57/609571057.db2.gz OCUPFORRBMLSSO-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](COc2ccccc2)C1 ZINC000826472613 609605747 /nfs/dbraw/zinc/60/57/47/609605747.db2.gz QBIKXNLLUSZBTN-GFCCVEGCSA-N -1 1 355.423 2.469 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](COc2ccccc2)C1 ZINC000826472613 609605749 /nfs/dbraw/zinc/60/57/49/609605749.db2.gz QBIKXNLLUSZBTN-GFCCVEGCSA-N -1 1 355.423 2.469 20 0 FEADMM Cc1nc(SCC(=O)c2cccc(S(C)(=O)=O)c2)[n-]c(=O)c1C ZINC000560004012 674563415 /nfs/dbraw/zinc/56/34/15/674563415.db2.gz OTXVESUMTOASEV-UHFFFAOYSA-N -1 1 352.437 2.178 20 0 FEADMM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810860608 674565579 /nfs/dbraw/zinc/56/55/79/674565579.db2.gz YCTZTCNQRWABHY-SFHVURJKSA-N -1 1 370.490 2.462 20 0 FEADMM O=C(NCc1cn(C2CCC2)nn1)c1cc(Br)ccc1[O-] ZINC000640539696 677183253 /nfs/dbraw/zinc/18/32/53/677183253.db2.gz XQAGNJYYEZDEDS-UHFFFAOYSA-N -1 1 351.204 2.401 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1 ZINC000811836182 674632991 /nfs/dbraw/zinc/63/29/91/674632991.db2.gz HNISULWGOHQURT-UHFFFAOYSA-N -1 1 370.814 2.396 20 0 FEADMM COc1csc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000812278228 674661520 /nfs/dbraw/zinc/66/15/20/674661520.db2.gz DOXZNYGEPGIKQI-SECBINFHSA-N -1 1 350.362 2.287 20 0 FEADMM COC[C@@H](C)[C@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000812575014 674685468 /nfs/dbraw/zinc/68/54/68/674685468.db2.gz MTZIXZSPTKXIRN-PPCPHDFISA-N -1 1 352.397 2.209 20 0 FEADMM Cn1ccnc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000562549604 674769104 /nfs/dbraw/zinc/76/91/04/674769104.db2.gz IUMRPFOYNDDVML-ZFWWWQNUSA-N -1 1 361.423 2.365 20 0 FEADMM Cn1ccnc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000562549603 674769124 /nfs/dbraw/zinc/76/91/24/674769124.db2.gz IUMRPFOYNDDVML-UKRRQHHQSA-N -1 1 361.423 2.365 20 0 FEADMM COCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000813743165 674776229 /nfs/dbraw/zinc/77/62/29/674776229.db2.gz KOARWENNZAIPQV-UHFFFAOYSA-N -1 1 367.826 2.217 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2cc(Cl)ccc2C)C(=O)[N-]C1=S ZINC000814331353 674832197 /nfs/dbraw/zinc/83/21/97/674832197.db2.gz GRLAQTJWNDXQOW-JLHYYAGUSA-N -1 1 367.858 2.224 20 0 FEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCCC(C)(C)C)(C(=O)OC)C1(C)C ZINC000563776402 674938407 /nfs/dbraw/zinc/93/84/07/674938407.db2.gz CWCTUNHHFGGLRB-SUMWQHHRSA-N -1 1 363.520 2.479 20 0 FEADMM CCn1ncc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)n1 ZINC000815685945 674965934 /nfs/dbraw/zinc/96/59/34/674965934.db2.gz NMKIZJVFIVZFKF-UHFFFAOYSA-N -1 1 366.175 2.492 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)[C@H]2C1 ZINC000564093022 674973028 /nfs/dbraw/zinc/97/30/28/674973028.db2.gz BYXOZVURWAMKFL-SLEUVZQESA-N -1 1 374.865 2.404 20 0 FEADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)N=c2nc([C@H](C)OC)[n-]s2)n[nH]1 ZINC000564374251 675004985 /nfs/dbraw/zinc/00/49/85/675004985.db2.gz XLZBLSSJNOUICZ-YIZRAAEISA-N -1 1 353.452 2.182 20 0 FEADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)ccn1 ZINC000564607804 675043491 /nfs/dbraw/zinc/04/34/91/675043491.db2.gz DWTLABIBWBCLJD-UHFFFAOYSA-N -1 1 353.400 2.012 20 0 FEADMM COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000011639462 669998216 /nfs/dbraw/zinc/99/82/16/669998216.db2.gz ORMGLEYWILCSLQ-UHFFFAOYSA-N -1 1 365.183 2.238 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C(=O)O1 ZINC000816623743 675069500 /nfs/dbraw/zinc/06/95/00/675069500.db2.gz JBUFGPBEYIMBSK-JOYOIKCWSA-N -1 1 350.371 2.173 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)CCN1C(=S)N=NC1c1ccc(C)cc1 ZINC000816740968 675076635 /nfs/dbraw/zinc/07/66/35/675076635.db2.gz SMDDRXSCFPJPEC-UHFFFAOYSA-N -1 1 358.427 2.308 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F ZINC000026235639 670068513 /nfs/dbraw/zinc/06/85/13/670068513.db2.gz FCMUCPKSKVJKFL-UHFFFAOYSA-N -1 1 367.354 2.184 20 0 FEADMM Cc1ncoc1CNC(=O)c1ccc(I)c([O-])c1 ZINC000816707668 675074388 /nfs/dbraw/zinc/07/43/88/675074388.db2.gz XFRJTFJZFZYDBI-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1 ZINC000029835065 670104325 /nfs/dbraw/zinc/10/43/25/670104325.db2.gz QXIPSTFOSBUXRC-UHFFFAOYSA-N -1 1 358.331 2.028 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)cc1 ZINC000044259804 670188227 /nfs/dbraw/zinc/18/82/27/670188227.db2.gz BOGSEUBNEMSTKT-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM CCC(Nc1ccc(Br)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000048403513 670261572 /nfs/dbraw/zinc/26/15/72/670261572.db2.gz NETFRIAKIXEQIP-UHFFFAOYSA-N -1 1 354.229 2.056 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c1Cl ZINC000048819136 670273806 /nfs/dbraw/zinc/27/38/06/670273806.db2.gz SPOCYDYPRFXGIW-UHFFFAOYSA-N -1 1 364.652 2.315 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC1CCCC1 ZINC000052171574 670309782 /nfs/dbraw/zinc/30/97/82/670309782.db2.gz LVQVOLKFEGTFLZ-UHFFFAOYSA-N -1 1 368.455 2.054 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCSC(F)(F)F)c(=O)[n-]1 ZINC000053570988 670324755 /nfs/dbraw/zinc/32/47/55/670324755.db2.gz ZSMAZUUTWZEVQS-UHFFFAOYSA-N -1 1 355.407 2.102 20 0 FEADMM CCOC(=O)[C@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000054197855 670333243 /nfs/dbraw/zinc/33/32/43/670333243.db2.gz BPXQOQCPCHOENL-LBPRGKRZSA-N -1 1 362.455 2.374 20 0 FEADMM O=c1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2o1 ZINC000054294333 670334470 /nfs/dbraw/zinc/33/44/70/670334470.db2.gz DXNWDCIDSZZLOQ-UHFFFAOYSA-N -1 1 359.359 2.365 20 0 FEADMM CCC(Nc1cc(C)ccc1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000054501441 670337613 /nfs/dbraw/zinc/33/76/13/670337613.db2.gz JLILHWMPMNVWEH-SQFISAMPSA-N -1 1 361.467 2.269 20 0 FEADMM CCc1c(C)sc2nc(-c3ccc(CS(N)(=O)=O)cc3)[n-]c(=O)c21 ZINC000055493217 670351301 /nfs/dbraw/zinc/35/13/01/670351301.db2.gz AJHAMSHUPCESEI-UHFFFAOYSA-N -1 1 363.464 2.311 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000062294536 670400098 /nfs/dbraw/zinc/40/00/98/670400098.db2.gz OAQNFPOJUPBGGA-OLZOCXBDSA-N -1 1 370.471 2.298 20 0 FEADMM Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000063878249 670412450 /nfs/dbraw/zinc/41/24/50/670412450.db2.gz YNEHRQCPWBHTIR-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066626229 670445410 /nfs/dbraw/zinc/44/54/10/670445410.db2.gz JLQHYUQVGQLYRG-LBPRGKRZSA-N -1 1 362.455 2.083 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)n[n-]c1=S ZINC000066639149 670445730 /nfs/dbraw/zinc/44/57/30/670445730.db2.gz LSYXCXIWAZJZND-NSHDSACASA-N -1 1 353.492 2.175 20 0 FEADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051090 670451846 /nfs/dbraw/zinc/45/18/46/670451846.db2.gz XRIIOFJRVRWHFT-LLVKDONJSA-N -1 1 371.507 2.076 20 0 FEADMM COc1ccc(COCC(=O)NCCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000067074300 670452497 /nfs/dbraw/zinc/45/24/97/670452497.db2.gz QKKUXMRIROHSIS-UHFFFAOYSA-N -1 1 364.471 2.406 20 0 FEADMM O=C(COc1ccc(F)cc1F)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067093623 670453343 /nfs/dbraw/zinc/45/33/43/670453343.db2.gz CUONMIOWOQKHHJ-UHFFFAOYSA-N -1 1 354.382 2.291 20 0 FEADMM CC(C)n1c(CCNC(=O)c2c[nH]nc2-c2cccnc2)n[n-]c1=S ZINC000067119074 670453908 /nfs/dbraw/zinc/45/39/08/670453908.db2.gz VBJVLRXNORJSAL-UHFFFAOYSA-N -1 1 357.443 2.279 20 0 FEADMM C[C@]1(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)CC1(F)F ZINC000817249184 675113454 /nfs/dbraw/zinc/11/34/54/675113454.db2.gz QBAGFGFLPDGRSB-CQSZACIVSA-N -1 1 363.263 2.133 20 0 FEADMM O=S(=O)([N-]Cc1cccc2c1OCCO2)c1ccc(F)c(F)c1F ZINC000076386035 670549173 /nfs/dbraw/zinc/54/91/73/670549173.db2.gz TXRLKQYYRMBFAT-UHFFFAOYSA-N -1 1 359.325 2.354 20 0 FEADMM COC(=O)CCCCCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000078809199 670595764 /nfs/dbraw/zinc/59/57/64/670595764.db2.gz YVMURLCVZLNEDV-UHFFFAOYSA-N -1 1 351.447 2.229 20 0 FEADMM COc1ccc(NCc2nn(C)c(C)c2Cl)cc1[N-]S(C)(=O)=O ZINC000817405297 675130048 /nfs/dbraw/zinc/13/00/48/675130048.db2.gz DDJHKUMEMPIEOW-UHFFFAOYSA-N -1 1 358.851 2.374 20 0 FEADMM CCc1nc(SCC(=O)N2CCO[C@H]3CCCC[C@H]32)[n-]c(=O)c1C ZINC000570107291 670662177 /nfs/dbraw/zinc/66/21/77/670662177.db2.gz LAZJJGXCBUEENF-KGLIPLIRSA-N -1 1 351.472 2.315 20 0 FEADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1[O-] ZINC000570139706 670666750 /nfs/dbraw/zinc/66/67/50/670666750.db2.gz 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2.249 20 0 FEADMM O=S(=O)([N-]Cc1noc(C(F)(F)F)n1)c1cc(Cl)ccc1F ZINC000576505644 671373105 /nfs/dbraw/zinc/37/31/05/671373105.db2.gz LMLKLDRCCJHLLS-UHFFFAOYSA-N -1 1 359.688 2.359 20 0 FEADMM Cc1cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)oc1C(=O)[O-] ZINC000576522221 671374620 /nfs/dbraw/zinc/37/46/20/671374620.db2.gz AUSSELYIMWNUBK-LLVKDONJSA-N -1 1 352.412 2.127 20 0 FEADMM Cc1noc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)n1 ZINC000577450703 671596347 /nfs/dbraw/zinc/59/63/47/671596347.db2.gz URJXRZAPHWTRKX-UHFFFAOYSA-N -1 1 356.454 2.350 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)o1 ZINC000609351544 675919751 /nfs/dbraw/zinc/91/97/51/675919751.db2.gz CXIMMVBDAKDQOC-UHFFFAOYSA-N -1 1 371.386 2.343 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000578072633 671638782 /nfs/dbraw/zinc/63/87/82/671638782.db2.gz JJDQAUUVQSSYPV-KGLIPLIRSA-N -1 1 352.456 2.455 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000578197525 671648055 /nfs/dbraw/zinc/64/80/55/671648055.db2.gz NYOTWCSLTIWVFB-NSHDSACASA-N -1 1 372.512 2.250 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1F ZINC000578408292 671663014 /nfs/dbraw/zinc/66/30/14/671663014.db2.gz UIDAABBCEQOUDO-UHFFFAOYSA-N -1 1 371.317 2.281 20 0 FEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCO[C@@]4(CCOC4)C3)c12 ZINC000578631145 671678980 /nfs/dbraw/zinc/67/89/80/671678980.db2.gz RXARTQLQQAIDBJ-GTNSWQLSSA-N -1 1 363.439 2.178 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc1C(=O)[O-] ZINC000578825792 671691492 /nfs/dbraw/zinc/69/14/92/671691492.db2.gz RLMYUUDUTAJWLH-UHFFFAOYSA-N -1 1 364.335 2.041 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000579006425 671705707 /nfs/dbraw/zinc/70/57/07/671705707.db2.gz JHMQVDWEMIAZEE-MBNYWOFBSA-N -1 1 350.415 2.073 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000579053452 671708771 /nfs/dbraw/zinc/70/87/71/671708771.db2.gz LABNAFKBIKVPTO-LLVKDONJSA-N -1 1 357.819 2.411 20 0 FEADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(OCCO)cc3)ccc21 ZINC000579198300 671718434 /nfs/dbraw/zinc/71/84/34/671718434.db2.gz FHQYCRJFUWJGSC-UHFFFAOYSA-N -1 1 361.419 2.378 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)COc2ccsc2)n[n-]1 ZINC000579367959 671730955 /nfs/dbraw/zinc/73/09/55/671730955.db2.gz NBBSUDGDZLSSJM-GFCCVEGCSA-N -1 1 366.443 2.325 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)COc2ccsc2)[n-]1 ZINC000579367959 671730959 /nfs/dbraw/zinc/73/09/59/671730959.db2.gz NBBSUDGDZLSSJM-GFCCVEGCSA-N -1 1 366.443 2.325 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)COc2ccsc2)n1 ZINC000579367959 671730962 /nfs/dbraw/zinc/73/09/62/671730962.db2.gz NBBSUDGDZLSSJM-GFCCVEGCSA-N -1 1 366.443 2.325 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1c(N)noc1C)Oc1ccccc1Cl ZINC000580130485 671784461 /nfs/dbraw/zinc/78/44/61/671784461.db2.gz VYWVLXRAYNRPKR-JTQLQIEISA-N -1 1 359.835 2.355 20 0 FEADMM C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000580279613 671794307 /nfs/dbraw/zinc/79/43/07/671794307.db2.gz BKABDMMNTRKFRW-XHDPSFHLSA-N -1 1 360.845 2.444 20 0 FEADMM COc1cc2nc(CSc3ncc(C)c(=O)[n-]3)[nH]c(=O)c2cc1OC ZINC000581381058 671891060 /nfs/dbraw/zinc/89/10/60/671891060.db2.gz OEPSCQLRZXREGI-UHFFFAOYSA-N -1 1 360.395 2.449 20 0 FEADMM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C2CN(C3CCCCC3)C2)c1 ZINC000581473386 671900581 /nfs/dbraw/zinc/90/05/81/671900581.db2.gz PZTRCTYABCACPF-UHFFFAOYSA-N -1 1 366.483 2.389 20 0 FEADMM O=C(Cn1cnc(-c2ccccc2)n1)Nc1nc(Br)ccc1[O-] ZINC000121493357 671950943 /nfs/dbraw/zinc/95/09/43/671950943.db2.gz CQNFULLHIGZADO-UHFFFAOYSA-N -1 1 374.198 2.447 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F)CC(C)C ZINC000610265267 675962691 /nfs/dbraw/zinc/96/26/91/675962691.db2.gz FJVDIUBKOBZGRL-JTQLQIEISA-N -1 1 365.398 2.087 20 0 FEADMM CCN(CC)CC(=O)Nc1cccc([N-]S(=O)(=O)c2cscn2)c1 ZINC000582360516 671993815 /nfs/dbraw/zinc/99/38/15/671993815.db2.gz QUZQUFAXPXPQJT-UHFFFAOYSA-N -1 1 368.484 2.224 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)N1CCCCC1 ZINC000126130856 672020534 /nfs/dbraw/zinc/02/05/34/672020534.db2.gz FRAMAIIZODBVTM-GFCCVEGCSA-N -1 1 358.426 2.285 20 0 FEADMM O=C(CN1CCC(c2c(Cl)cccc2Cl)CC1)Nc1nnn[n-]1 ZINC000582950833 672049149 /nfs/dbraw/zinc/04/91/49/672049149.db2.gz IGIUYSCUPRYYGS-UHFFFAOYSA-N -1 1 355.229 2.325 20 0 FEADMM O=C(CN1CCC(c2c(Cl)cccc2Cl)CC1)Nc1nn[n-]n1 ZINC000582950833 672049151 /nfs/dbraw/zinc/04/91/51/672049151.db2.gz IGIUYSCUPRYYGS-UHFFFAOYSA-N -1 1 355.229 2.325 20 0 FEADMM NC(=O)[C@H]1CC(C(=O)Nc2ccc([O-])c(Cl)c2)=NN1c1ccccc1 ZINC000129640275 672065209 /nfs/dbraw/zinc/06/52/09/672065209.db2.gz HCDYGQOWXWAEME-CQSZACIVSA-N -1 1 358.785 2.104 20 0 FEADMM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000134206007 672120702 /nfs/dbraw/zinc/12/07/02/672120702.db2.gz YJEPLSXEAYCOJC-UHFFFAOYSA-N -1 1 352.412 2.330 20 0 FEADMM COC[C@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000143525293 672149037 /nfs/dbraw/zinc/14/90/37/672149037.db2.gz OSBZHZADLGZHDY-NSHDSACASA-N -1 1 350.444 2.157 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCc2cn3ccccc3n2)c(=O)[n-]1 ZINC000150742809 672152349 /nfs/dbraw/zinc/15/23/49/672152349.db2.gz ZAZYHGXUQITOMR-UHFFFAOYSA-N -1 1 358.423 2.124 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)c1 ZINC000584092356 672154814 /nfs/dbraw/zinc/15/48/14/672154814.db2.gz HYJZYUCJJZNOKZ-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc(Cl)c1[O-] ZINC000153598054 672201099 /nfs/dbraw/zinc/20/10/99/672201099.db2.gz SWYRCGOCSNMUOT-LBPRGKRZSA-N -1 1 366.845 2.433 20 0 FEADMM C#Cc1cccc(NC(=O)CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000153619928 672202227 /nfs/dbraw/zinc/20/22/27/672202227.db2.gz BRLGSZKTAALXRZ-UHFFFAOYSA-N -1 1 358.781 2.404 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000153951649 672207592 /nfs/dbraw/zinc/20/75/92/672207592.db2.gz GFMGOOURWKQQKU-HNNXBMFYSA-N -1 1 363.332 2.429 20 0 FEADMM C[C@@H](C(=O)[N-]S(=O)(=O)CCCF)N1CCC(Cc2ccccc2)CC1 ZINC000154045997 672209402 /nfs/dbraw/zinc/20/94/02/672209402.db2.gz QAWFTUDTAOYAPX-HNNXBMFYSA-N -1 1 370.490 2.135 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)c1ccccc1F ZINC000610702067 675990178 /nfs/dbraw/zinc/99/01/78/675990178.db2.gz DFGMHWGDVPGINB-INIZCTEOSA-N -1 1 367.398 2.168 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)no1 ZINC000154751941 672221317 /nfs/dbraw/zinc/22/13/17/672221317.db2.gz LRMDVYAIPYLKBU-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000585682632 672224620 /nfs/dbraw/zinc/22/46/20/672224620.db2.gz OIHZJVDDPGLQPD-UHFFFAOYSA-N -1 1 360.395 2.273 20 0 FEADMM O=C([N-]NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000160743909 672293318 /nfs/dbraw/zinc/29/33/18/672293318.db2.gz GSOQJWBRJLVHGA-UHFFFAOYSA-N -1 1 371.702 2.157 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c1Cl ZINC000173348401 672350208 /nfs/dbraw/zinc/35/02/08/672350208.db2.gz BTGIOWPHTIYIRG-UHFFFAOYSA-N -1 1 352.803 2.207 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C(F)(F)F)c2C)c(C)o1 ZINC000611101932 676017170 /nfs/dbraw/zinc/01/71/70/676017170.db2.gz RPXVDTNUXHIPRD-UHFFFAOYSA-N -1 1 367.305 2.226 20 0 FEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1 ZINC000180243729 672411714 /nfs/dbraw/zinc/41/17/14/672411714.db2.gz AWDRVFWEKGNIMB-UHFFFAOYSA-N -1 1 360.844 2.080 20 0 FEADMM O=S(=O)([N-]C[C@H]1COC2(CCCCC2)O1)c1cc(F)c(F)cc1F ZINC000180614360 672415984 /nfs/dbraw/zinc/41/59/84/672415984.db2.gz HIHFFTACRXDTSF-JTQLQIEISA-N -1 1 365.373 2.458 20 0 FEADMM C[C@](O)(CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000182984308 672457893 /nfs/dbraw/zinc/45/78/93/672457893.db2.gz OVCGFVIHQSGYDH-KRWDZBQOSA-N -1 1 366.414 2.434 20 0 FEADMM CCOC(=O)c1nnc([N-]C(=O)c2csc([C@H]3CCCO3)n2)s1 ZINC000611127579 676019709 /nfs/dbraw/zinc/01/97/09/676019709.db2.gz OSGYLGXBCQOIJV-MRVPVSSYSA-N -1 1 354.413 2.275 20 0 FEADMM Cc1cc(NS(=O)(=O)c2cnn(C)c2)ccc1-n1cccc1C(=O)[O-] ZINC000589150100 672509623 /nfs/dbraw/zinc/50/96/23/672509623.db2.gz YMBCPZDYEMNVMG-UHFFFAOYSA-N -1 1 360.395 2.018 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000589435628 672525977 /nfs/dbraw/zinc/52/59/77/672525977.db2.gz HTCQHNAJKRFXNE-UHFFFAOYSA-N -1 1 370.452 2.176 20 0 FEADMM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000188937860 672603151 /nfs/dbraw/zinc/60/31/51/672603151.db2.gz GQENSMCNNRKJDO-UHFFFAOYSA-N -1 1 357.863 2.382 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CC(c2cccnc2)=NO1 ZINC000190845821 672652829 /nfs/dbraw/zinc/65/28/29/672652829.db2.gz OCUWZILVNKBQNH-LLVKDONJSA-N -1 1 363.171 2.076 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681363102 672652973 /nfs/dbraw/zinc/65/29/73/672652973.db2.gz ZDVADIBDQDZIOL-LBPRGKRZSA-N -1 1 351.399 2.432 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)c(F)c1 ZINC000190866344 672653752 /nfs/dbraw/zinc/65/37/52/672653752.db2.gz OAHPGHYZFMASPM-UHFFFAOYSA-N -1 1 365.430 2.386 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OCC ZINC000592047212 672741817 /nfs/dbraw/zinc/74/18/17/672741817.db2.gz MIQMKKUVXYOPHJ-TZNOJPMFSA-N -1 1 366.361 2.277 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](C)CC(F)F)s1 ZINC000592067732 672746213 /nfs/dbraw/zinc/74/62/13/672746213.db2.gz VBZBMWABCXBMRC-SSDOTTSWSA-N -1 1 357.400 2.113 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4cnco4)cc3)cc2[nH]1 ZINC000194195032 672751785 /nfs/dbraw/zinc/75/17/85/672751785.db2.gz XEQKFZWOHPZPFQ-UHFFFAOYSA-N -1 1 356.363 2.312 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195167201 672777460 /nfs/dbraw/zinc/77/74/60/672777460.db2.gz IZVFVYFQXJMAIW-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195167201 672777464 /nfs/dbraw/zinc/77/74/64/672777464.db2.gz IZVFVYFQXJMAIW-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195167201 672777470 /nfs/dbraw/zinc/77/74/70/672777470.db2.gz IZVFVYFQXJMAIW-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1nc(CC2CC2)sc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000682823358 672790839 /nfs/dbraw/zinc/79/08/39/672790839.db2.gz MJTGAPJJFZHWTG-CQSZACIVSA-N -1 1 354.439 2.437 20 0 FEADMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000228550032 672797330 /nfs/dbraw/zinc/79/73/30/672797330.db2.gz ZWQGZAUXODAFGL-VIFPVBQESA-N -1 1 371.684 2.183 20 0 FEADMM Cc1nn(C)cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000230896005 672799644 /nfs/dbraw/zinc/79/96/44/672799644.db2.gz ZNUWFLAVYZENNQ-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000592746107 672833141 /nfs/dbraw/zinc/83/31/41/672833141.db2.gz KGJLGECVTIELOU-UHFFFAOYSA-N -1 1 359.283 2.052 20 0 FEADMM CO[C@@H]1CC[C@@H]2OCCN(Cn3[n-]c(-c4ccccn4)nc3=S)[C@H]2C1 ZINC000246596354 672839436 /nfs/dbraw/zinc/83/94/36/672839436.db2.gz MPDCFRASQHDSMY-SNPRPXQTSA-N -1 1 361.471 2.228 20 0 FEADMM Cc1noc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000683689273 672866595 /nfs/dbraw/zinc/86/65/95/672866595.db2.gz QYYTXIFUCXMAKN-SECBINFHSA-N -1 1 359.411 2.187 20 0 FEADMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cncc(F)c3)cccc21 ZINC000683926399 672885466 /nfs/dbraw/zinc/88/54/66/672885466.db2.gz UENYFMQUIFFXSB-OAHLLOKOSA-N -1 1 351.403 2.407 20 0 FEADMM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000255363802 672889524 /nfs/dbraw/zinc/88/95/24/672889524.db2.gz OEOUAIYFVDLTRR-NTMALXAHSA-N -1 1 350.371 2.221 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1C1CC1 ZINC000593381592 672916000 /nfs/dbraw/zinc/91/60/00/672916000.db2.gz JQYIUGXKDGSIMG-QWHCGFSZSA-N -1 1 368.227 2.426 20 0 FEADMM C[C@H]1OCC[C@]12CN(C(=O)c1ccc(Br)c([O-])c1)CCO2 ZINC000684334264 672926558 /nfs/dbraw/zinc/92/65/58/672926558.db2.gz IOSKOYIPDLZTJO-BMIGLBTASA-N -1 1 356.216 2.175 20 0 FEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCN(C)Cc2ccc(F)cc2)C1 ZINC000263324539 672931308 /nfs/dbraw/zinc/93/13/08/672931308.db2.gz KIWFOZADBBIGNM-DZGCQCFKSA-N -1 1 351.422 2.010 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(F)c1 ZINC000593599935 672954814 /nfs/dbraw/zinc/95/48/14/672954814.db2.gz ZOJUVVKKYUQSNB-UHFFFAOYSA-N -1 1 351.346 2.326 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287372959 672984772 /nfs/dbraw/zinc/98/47/72/672984772.db2.gz MZAWUVNOLPUUTR-RYUDHWBXSA-N -1 1 369.443 2.265 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]Cc1nnc(SC)s1)c1ccccc1 ZINC000295141879 673004435 /nfs/dbraw/zinc/00/44/35/673004435.db2.gz MMAWENJZUYQRQE-NSHDSACASA-N -1 1 359.498 2.067 20 0 FEADMM C[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000685641009 673031886 /nfs/dbraw/zinc/03/18/86/673031886.db2.gz CUAWBNRMSSEPGX-SECBINFHSA-N -1 1 365.282 2.434 20 0 FEADMM C[C@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@@H]1O ZINC000685810133 673045818 /nfs/dbraw/zinc/04/58/18/673045818.db2.gz CHPLVPTWUCVSME-UFBFGSQYSA-N -1 1 351.200 2.156 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000327266491 673058520 /nfs/dbraw/zinc/05/85/20/673058520.db2.gz RTFOPHNOXFSBNK-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM CC(C)(C)OC(=O)CCCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000594421490 673070276 /nfs/dbraw/zinc/07/02/76/673070276.db2.gz WWWIPELRJSCGRV-UHFFFAOYSA-N -1 1 353.419 2.383 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCCOCC2)c1F ZINC000594470505 673079004 /nfs/dbraw/zinc/07/90/04/673079004.db2.gz KCDZKPZXOZGXSS-JTQLQIEISA-N -1 1 365.810 2.113 20 0 FEADMM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859121708 683041727 /nfs/dbraw/zinc/04/17/27/683041727.db2.gz BUOVFTPWHVMCPB-UHFFFAOYSA-N -1 1 355.229 2.077 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OC(C)(C)C ZINC000594489049 673092088 /nfs/dbraw/zinc/09/20/88/673092088.db2.gz WDPOHEDAGROYBF-QMMMGPOBSA-N -1 1 353.362 2.360 20 0 FEADMM Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000612815680 676099373 /nfs/dbraw/zinc/09/93/73/676099373.db2.gz IXBLBVUHWKJEHD-VIFPVBQESA-N -1 1 368.210 2.430 20 0 FEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(CC)s1)C(F)(F)F ZINC000594700670 673119250 /nfs/dbraw/zinc/11/92/50/673119250.db2.gz SHRAUCSKFGZBRS-SECBINFHSA-N -1 1 359.391 2.473 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)cn1 ZINC000594706680 673120598 /nfs/dbraw/zinc/12/05/98/673120598.db2.gz VNKDLBDNFGARAV-HNNXBMFYSA-N -1 1 356.444 2.205 20 0 FEADMM CCOC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC000594729251 673125292 /nfs/dbraw/zinc/12/52/92/673125292.db2.gz WBKDATSGZHEJJZ-UHFFFAOYSA-N -1 1 369.418 2.029 20 0 FEADMM CCOc1cc(C(=O)NCCSCCC(=O)OC)cc(Cl)c1[O-] ZINC000613022241 676106982 /nfs/dbraw/zinc/10/69/82/676106982.db2.gz ZDYOXWXDHYTIGK-UHFFFAOYSA-N -1 1 361.847 2.470 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c(F)c1 ZINC000594858535 673167372 /nfs/dbraw/zinc/16/73/72/673167372.db2.gz SJPCKYNDOQMEKA-CYBMUJFWSA-N -1 1 351.346 2.326 20 0 FEADMM CCOCCOCC(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000728339288 673199295 /nfs/dbraw/zinc/19/92/95/673199295.db2.gz UKZJDQUVEFLQSQ-UHFFFAOYSA-N -1 1 350.367 2.157 20 0 FEADMM O=S(=O)([N-]C1(CCO)CC1)c1cc(Cl)c(Br)cc1F ZINC000431608276 673213876 /nfs/dbraw/zinc/21/38/76/673213876.db2.gz JYOKBHSZYLAFQX-UHFFFAOYSA-N -1 1 372.643 2.435 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)cc1C ZINC000595319028 673223387 /nfs/dbraw/zinc/22/33/87/673223387.db2.gz YEGGPYLJZVRUDY-ZDUSSCGKSA-N -1 1 367.423 2.429 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000595327413 673225538 /nfs/dbraw/zinc/22/55/38/673225538.db2.gz RMLUTOCRCYGBHB-CLLJXQQHSA-N -1 1 359.444 2.247 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2CC2)c(F)c1 ZINC000451264626 673235739 /nfs/dbraw/zinc/23/57/39/673235739.db2.gz KCDCXPWSTLJWDK-UHFFFAOYSA-N -1 1 364.464 2.056 20 0 FEADMM C/C=C\C[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)C(=O)OCC ZINC000451394545 673236435 /nfs/dbraw/zinc/23/64/35/673236435.db2.gz SMCANAUSFOHKQT-HZYFSWNCSA-N -1 1 355.456 2.191 20 0 FEADMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000729628972 673241786 /nfs/dbraw/zinc/24/17/86/673241786.db2.gz KDCCOXHKTZSIRE-UHFFFAOYSA-N -1 1 370.236 2.282 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](C)CC ZINC000462584225 673265954 /nfs/dbraw/zinc/26/59/54/673265954.db2.gz IZURIGBXIONQLB-AMIZOPFISA-N -1 1 353.362 2.360 20 0 FEADMM Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000484971424 673323495 /nfs/dbraw/zinc/32/34/95/673323495.db2.gz XTQLBTXFRLVSPV-UHFFFAOYSA-N -1 1 359.289 2.445 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000536702612 673377221 /nfs/dbraw/zinc/37/72/21/673377221.db2.gz LHCQUOJXGKXZNW-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cn1 ZINC000536768418 673380611 /nfs/dbraw/zinc/38/06/11/673380611.db2.gz VTXOLRMQEWJGIY-UHFFFAOYSA-N -1 1 364.423 2.233 20 0 FEADMM CN(C)[C@H](CNC(=O)c1cc(=O)n(C)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000613583093 676135250 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676230322 /nfs/dbraw/zinc/23/03/22/676230322.db2.gz RMHQSGFGAYCIEL-UHFFFAOYSA-N -1 1 368.846 2.258 20 0 FEADMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000615816503 676230450 /nfs/dbraw/zinc/23/04/50/676230450.db2.gz SWJGBLNBTKACLR-PUYPPJJSSA-N -1 1 353.802 2.468 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC)c(NC(C)=O)c1 ZINC000821139898 675418096 /nfs/dbraw/zinc/41/80/96/675418096.db2.gz IGAUUIVXLVRDPB-HNNXBMFYSA-N -1 1 372.443 2.127 20 0 FEADMM CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(Cl)ccc21 ZINC000821627162 675444010 /nfs/dbraw/zinc/44/40/10/675444010.db2.gz PSWQVCQLUNVNDP-UHFFFAOYSA-N -1 1 355.789 2.012 20 0 FEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(Cl)ccc21 ZINC000821627162 675444011 /nfs/dbraw/zinc/44/40/11/675444011.db2.gz PSWQVCQLUNVNDP-UHFFFAOYSA-N -1 1 355.789 2.012 20 0 FEADMM c1sc(-c2ccccc2)nc1CCNc1nccnc1-c1nnn[n-]1 ZINC000823766808 675570800 /nfs/dbraw/zinc/57/08/00/675570800.db2.gz KAUUUTXCMZVPMH-UHFFFAOYSA-N -1 1 350.411 2.435 20 0 FEADMM c1sc(-c2ccccc2)nc1CCNc1nccnc1-c1nn[n-]n1 ZINC000823766808 675570803 /nfs/dbraw/zinc/57/08/03/675570803.db2.gz KAUUUTXCMZVPMH-UHFFFAOYSA-N -1 1 350.411 2.435 20 0 FEADMM Cn1cnnc1[C@@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000824828968 675624290 /nfs/dbraw/zinc/62/42/90/675624290.db2.gz DZXIGUKQGXQPPB-SECBINFHSA-N -1 1 365.167 2.064 20 0 FEADMM O=C(OCc1nnc(C2CC2)n1C1CC1)c1sccc1-c1nn[n-]n1 ZINC000826467928 675689087 /nfs/dbraw/zinc/68/90/87/675689087.db2.gz ROIHLYYWPRYSOE-UHFFFAOYSA-N -1 1 357.399 2.089 20 0 FEADMM CC(C)[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000826686799 675700475 /nfs/dbraw/zinc/70/04/75/675700475.db2.gz UWNLXZBDAXLNRL-MQYQWHSLSA-N -1 1 364.408 2.353 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000827374409 675751782 /nfs/dbraw/zinc/75/17/82/675751782.db2.gz HSETWRPNYPYFQK-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM CCOC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000827598292 675767113 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CCCc1cc(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc(=O)[nH]1 ZINC000828681072 675836957 /nfs/dbraw/zinc/83/69/57/675836957.db2.gz REOXKBITSRQFAR-HNNXBMFYSA-N -1 1 359.348 2.023 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000828722318 675839380 /nfs/dbraw/zinc/83/93/80/675839380.db2.gz NWKAHKDXHGXTQH-SFHVURJKSA-N -1 1 352.419 2.290 20 0 FEADMM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000607892525 675876578 /nfs/dbraw/zinc/87/65/78/675876578.db2.gz LSCUFWUKEKCMIN-UHFFFAOYSA-N -1 1 354.267 2.330 20 0 FEADMM O=C(NCc1nn[n-]n1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000607906004 675877311 /nfs/dbraw/zinc/87/73/11/675877311.db2.gz RNZGXDBTUVINTI-UHFFFAOYSA-N -1 1 366.168 2.019 20 0 FEADMM COc1cc(NC(=O)N2C[C@@H](C)S[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000608304006 675888426 /nfs/dbraw/zinc/88/84/26/675888426.db2.gz ITPCUJMPOIIHHL-GHMZBOCLSA-N -1 1 373.500 2.424 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cc(Cl)ccc2OC(C)C)n[n-]1 ZINC000615920161 676233803 /nfs/dbraw/zinc/23/38/03/676233803.db2.gz NLEOXBJFZNDWAD-UHFFFAOYSA-N -1 1 366.805 2.352 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(Cl)ccc2OC(C)C)n1 ZINC000615920161 676233805 /nfs/dbraw/zinc/23/38/05/676233805.db2.gz NLEOXBJFZNDWAD-UHFFFAOYSA-N -1 1 366.805 2.352 20 0 FEADMM COCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000617266813 676277820 /nfs/dbraw/zinc/27/78/20/676277820.db2.gz VAAMLWKPGCGTPO-UHFFFAOYSA-N -1 1 366.414 2.345 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OC)c(OC(F)F)c2)n1 ZINC000619865078 676397631 /nfs/dbraw/zinc/39/76/31/676397631.db2.gz LYSVCQFMWLEGHD-UHFFFAOYSA-N -1 1 355.297 2.449 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)co1 ZINC000620274442 676412252 /nfs/dbraw/zinc/41/22/52/676412252.db2.gz HQBJZRLMVUEOCA-LBPRGKRZSA-N -1 1 372.349 2.226 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@@](C)(C(F)F)C2)c(=O)[n-]1 ZINC000621199226 676445633 /nfs/dbraw/zinc/44/56/33/676445633.db2.gz PIQMDAULJZKRBV-OAHLLOKOSA-N -1 1 361.414 2.028 20 0 FEADMM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@@H](CO)CC(F)(F)F ZINC000677423773 679680199 /nfs/dbraw/zinc/68/01/99/679680199.db2.gz ZEWBEMMPLKABLR-LLVKDONJSA-N -1 1 364.345 2.074 20 0 FEADMM Cc1cc(Br)oc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622610414 676502840 /nfs/dbraw/zinc/50/28/40/676502840.db2.gz UXMHTGIXKKOOJS-NSHDSACASA-N -1 1 362.187 2.383 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)CSc3ccccc3)nc2n1 ZINC000622994135 676514524 /nfs/dbraw/zinc/51/45/24/676514524.db2.gz FLICHTGJMPBXEE-NSHDSACASA-N -1 1 357.439 2.347 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CSc4ccccc43)nc2n1 ZINC000622996064 676514710 /nfs/dbraw/zinc/51/47/10/676514710.db2.gz AFTHFFSVMCEUAE-LBPRGKRZSA-N -1 1 355.423 2.198 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N(C1CC1)C1CC1 ZINC000628818893 676820236 /nfs/dbraw/zinc/82/02/36/676820236.db2.gz XHFQKCZULLLABT-UHFFFAOYSA-N -1 1 363.266 2.425 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000629286591 676840292 /nfs/dbraw/zinc/84/02/92/676840292.db2.gz WFBQYIZGYKSPDR-INIZCTEOSA-N -1 1 352.456 2.136 20 0 FEADMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000629351802 676850597 /nfs/dbraw/zinc/85/05/97/676850597.db2.gz GZVJALKHARTFJL-AWEZNQCLSA-N -1 1 353.419 2.426 20 0 FEADMM CC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000629861134 676870869 /nfs/dbraw/zinc/87/08/69/676870869.db2.gz RJKATTRJSNQQJF-LBPRGKRZSA-N -1 1 355.232 2.286 20 0 FEADMM CCOc1cc(Cl)ccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630220128 676887599 /nfs/dbraw/zinc/88/75/99/676887599.db2.gz MLTYHTRNTHONNO-GFCCVEGCSA-N -1 1 354.834 2.360 20 0 FEADMM Cc1cc(O[C@H](C)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1Cl ZINC000630223151 676888000 /nfs/dbraw/zinc/88/80/00/676888000.db2.gz KGUIRLCCPXSAIV-UONOGXRCSA-N -1 1 368.861 2.423 20 0 FEADMM CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nn[n-]n1 ZINC000630697193 676917026 /nfs/dbraw/zinc/91/70/26/676917026.db2.gz LWAMJMOHHOYJSM-UHFFFAOYSA-N -1 1 356.199 2.083 20 0 FEADMM Cc1nc(SC[C@H]2CCCN(S(C)(=O)=O)C2)[n-]c(=O)c1C1CC1 ZINC000631024710 676929710 /nfs/dbraw/zinc/92/97/10/676929710.db2.gz YFVATMZPLXLDOR-NSHDSACASA-N -1 1 357.501 2.132 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000631242902 676938907 /nfs/dbraw/zinc/93/89/07/676938907.db2.gz VQHGDDVUFYPVPL-CQSZACIVSA-N -1 1 350.846 2.449 20 0 FEADMM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC000631458116 676945509 /nfs/dbraw/zinc/94/55/09/676945509.db2.gz CRVVURKOVGGKHB-GFCCVEGCSA-N -1 1 363.849 2.276 20 0 FEADMM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000631712743 676953120 /nfs/dbraw/zinc/95/31/20/676953120.db2.gz XONMOWQKGDQDHY-UHFFFAOYSA-N -1 1 373.360 2.065 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000631773090 676956549 /nfs/dbraw/zinc/95/65/49/676956549.db2.gz FNWQGDVINVZBIF-NSHDSACASA-N -1 1 369.361 2.133 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)N1CCCc2ccccc21 ZINC000631794489 676957972 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Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C(F)F)o2)cn1 ZINC000632251650 676983756 /nfs/dbraw/zinc/98/37/56/676983756.db2.gz ANKGTYBTDOQHGM-GXFFZTMASA-N -1 1 361.370 2.149 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2nc(C)no2)c2ccccc2)sn1 ZINC000632277321 676985183 /nfs/dbraw/zinc/98/51/83/676985183.db2.gz MCIBIBHGBMTNNJ-ZDUSSCGKSA-N -1 1 364.452 2.405 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N(C)Cc2cnc(C(C)C)nc2)c1 ZINC000632304135 676987021 /nfs/dbraw/zinc/98/70/21/676987021.db2.gz KQRPBFAVQQNXGL-UHFFFAOYSA-N -1 1 351.428 2.135 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C(F)F)o1 ZINC000632314090 676987529 /nfs/dbraw/zinc/98/75/29/676987529.db2.gz SEKFTWMOBJBKMN-MFKMUULPSA-N -1 1 365.398 2.063 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC(c3c[nH]nc3C)CC2)c1 ZINC000632315346 676987599 /nfs/dbraw/zinc/98/75/99/676987599.db2.gz JRAOLNNZEPYIBJ-UHFFFAOYSA-N -1 1 351.428 2.001 20 0 FEADMM O=S(=O)([N-]c1ccccc1-n1cncn1)c1ccc2c(c1)CCCO2 ZINC000678478626 679730486 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CC(C)OCCCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656954467 677885255 /nfs/dbraw/zinc/88/52/55/677885255.db2.gz CIBNPXQJFCFWFY-UHFFFAOYSA-N -1 1 351.266 2.328 20 0 FEADMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)OC ZINC000656998473 677906683 /nfs/dbraw/zinc/90/66/83/677906683.db2.gz BHQIPRCXFLUGCM-GXSJLCMTSA-N -1 1 351.266 2.184 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2noc3ccccc23)c(C(F)(F)F)n1 ZINC000657038430 677920286 /nfs/dbraw/zinc/92/02/86/677920286.db2.gz ARXMTXGPCGWXNE-UHFFFAOYSA-N -1 1 374.344 2.101 20 0 FEADMM O=C1CCCN1[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000657092705 677942743 /nfs/dbraw/zinc/94/27/43/677942743.db2.gz BKGVJZPGWQRUOU-STQMWFEESA-N -1 1 358.410 2.177 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2c(C3CCC3)cnn2C)c(F)c1 ZINC000657197327 677980136 /nfs/dbraw/zinc/98/01/36/677980136.db2.gz FBPBMYPHBBHZCZ-UHFFFAOYSA-N -1 1 371.409 2.453 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)C1CCCC1 ZINC000660057283 678268466 /nfs/dbraw/zinc/26/84/66/678268466.db2.gz SEAHLTFDINJGGN-LBPRGKRZSA-N -1 1 363.277 2.328 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)C(=O)O1 ZINC000839780714 680778657 /nfs/dbraw/zinc/77/86/57/680778657.db2.gz XOKBWLFUDYLWOA-OIBJUYFYSA-N -1 1 365.183 2.137 20 0 FEADMM COc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccc1C(F)(F)F ZINC000668869607 679205237 /nfs/dbraw/zinc/20/52/37/679205237.db2.gz RNHZJNFIPNPCAS-UHFFFAOYSA-N -1 1 355.320 2.426 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)sc1C ZINC000669634988 679246144 /nfs/dbraw/zinc/24/61/44/679246144.db2.gz OOJMXGJTFMIYSK-UHFFFAOYSA-N -1 1 363.411 2.277 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc(F)cn1 ZINC000669717921 679250215 /nfs/dbraw/zinc/25/02/15/679250215.db2.gz UIEUVYJORZJXER-GFCCVEGCSA-N -1 1 350.716 2.046 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC(C3CCOCC3)C2)c(=O)[n-]1 ZINC000669735219 679250920 /nfs/dbraw/zinc/25/09/20/679250920.db2.gz LLJLWJAKFGGVNZ-UHFFFAOYSA-N -1 1 351.472 2.030 20 0 FEADMM COc1ccc(NC(=O)Cc2sc(N3CCC3)nc2[O-])cc1Cl ZINC000840701369 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COc1ccc(NC(=O)Cc2sc(NCC(C)C)nc2[O-])cc1OC ZINC000007883493 539470503 /nfs/dbraw/zinc/47/05/03/539470503.db2.gz SBOCAFTYEULLDO-AWEZNQCLSA-N -1 1 365.455 2.276 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000007055189 210091634 /nfs/dbraw/zinc/09/16/34/210091634.db2.gz DQHOZSGAOYGAHV-UHFFFAOYSA-N -1 1 360.313 2.485 20 0 FEADMM O=C(COc1ccsc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000800561067 674062566 /nfs/dbraw/zinc/06/25/66/674062566.db2.gz QJSJPNBXOUESQP-UHFFFAOYSA-N -1 1 350.362 2.044 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@H](O)C1 ZINC000022738050 539697753 /nfs/dbraw/zinc/69/77/53/539697753.db2.gz PSCCLUCKWWLCPV-INIZCTEOSA-N -1 1 360.435 2.084 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc[nH]n2)cc1 ZINC000023141857 539707622 /nfs/dbraw/zinc/70/76/22/539707622.db2.gz IQONBRJAGSDSGZ-UHFFFAOYSA-N -1 1 357.395 2.166 20 0 FEADMM Cn1c(C2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000800735456 674072720 /nfs/dbraw/zinc/07/27/20/674072720.db2.gz 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CCn1cc([N-]S(=O)(=O)c2sccc2Br)ccc1=O ZINC000048801967 540374670 /nfs/dbraw/zinc/37/46/70/540374670.db2.gz DGMZXZIOSDQEDK-UHFFFAOYSA-N -1 1 363.258 2.493 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000054797203 540610775 /nfs/dbraw/zinc/61/07/75/540610775.db2.gz IMCXQVGXIOYJOU-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000054798425 540610977 /nfs/dbraw/zinc/61/09/77/540610977.db2.gz JFAHXUCTYWXUFR-TXEJJXNPSA-N -1 1 362.442 2.131 20 0 FEADMM CCOC(=O)Cc1csc(NC(=O)c2cc(NC(C)=O)ccc2[O-])n1 ZINC000055161415 540632023 /nfs/dbraw/zinc/63/20/23/540632023.db2.gz XUCGJAFNJKVNKT-UHFFFAOYSA-N -1 1 363.395 2.165 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000055164236 540632059 /nfs/dbraw/zinc/63/20/59/540632059.db2.gz SGAJYWRLUPABDK-UHFFFAOYSA-N -1 1 353.378 2.495 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000055548428 540657784 /nfs/dbraw/zinc/65/77/84/540657784.db2.gz 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541688745 /nfs/dbraw/zinc/68/87/45/541688745.db2.gz JQNXLFDUUKZKAW-UHFFFAOYSA-N -1 1 352.192 2.340 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000544057325 541707610 /nfs/dbraw/zinc/70/76/10/541707610.db2.gz IEBBDFKHPBFJLY-GFCCVEGCSA-N -1 1 357.410 2.492 20 0 FEADMM CS(=O)(=O)N1CC[C@H](COC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000801259591 674114835 /nfs/dbraw/zinc/11/48/35/674114835.db2.gz RTVYYXCDLVTTIO-QMMMGPOBSA-N -1 1 368.238 2.137 20 0 FEADMM CCN(CC)C(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801373235 674124839 /nfs/dbraw/zinc/12/48/39/674124839.db2.gz DUHIEWHWIUCAMF-UHFFFAOYSA-N -1 1 351.790 2.257 20 0 FEADMM COc1cc(C)c(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Cl ZINC000551171424 674128612 /nfs/dbraw/zinc/12/86/12/674128612.db2.gz LBHXJGZDIFTZFG-UHFFFAOYSA-N -1 1 366.830 2.113 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)CCOc1ccccc1 ZINC000073094731 541916924 /nfs/dbraw/zinc/91/69/24/541916924.db2.gz WXCHWVSEWDDEHS-ZDUSSCGKSA-N -1 1 368.437 2.361 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1cccc(F)c1F ZINC000074162237 542045868 /nfs/dbraw/zinc/04/58/68/542045868.db2.gz JJFFMKGAFJNUTP-UHFFFAOYSA-N -1 1 360.364 2.167 20 0 FEADMM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000074977315 542144095 /nfs/dbraw/zinc/14/40/95/542144095.db2.gz MAKAYMJVSCLPES-ZYHUDNBSSA-N -1 1 364.464 2.006 20 0 FEADMM Cc1nc(C2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])CC2)no1 ZINC000075998854 542223157 /nfs/dbraw/zinc/22/31/57/542223157.db2.gz HQXUWEZYUCYJCF-UHFFFAOYSA-N -1 1 353.382 2.355 20 0 FEADMM Cc1nc(C2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CC2)no1 ZINC000075998854 542223162 /nfs/dbraw/zinc/22/31/62/542223162.db2.gz HQXUWEZYUCYJCF-UHFFFAOYSA-N -1 1 353.382 2.355 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000013597895 211042141 /nfs/dbraw/zinc/04/21/41/211042141.db2.gz BNNLXXOMBZVZKL-UHFFFAOYSA-N -1 1 359.407 2.028 20 0 FEADMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000077618805 542403308 /nfs/dbraw/zinc/40/33/08/542403308.db2.gz YBPVDDZHXGATDR-SSDOTTSWSA-N -1 1 357.284 2.344 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000077704356 542409716 /nfs/dbraw/zinc/40/97/16/542409716.db2.gz JSBMTFGYPMEREP-UHFFFAOYSA-N -1 1 354.815 2.313 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccc([S@](C)=O)cc3)cnc2n1 ZINC000080038434 542558830 /nfs/dbraw/zinc/55/88/30/542558830.db2.gz AGNDCUYKWUFQOU-RUZDIDTESA-N -1 1 355.419 2.311 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc([S@](C)=O)cc1)c2=O ZINC000080038434 542558834 /nfs/dbraw/zinc/55/88/34/542558834.db2.gz AGNDCUYKWUFQOU-RUZDIDTESA-N -1 1 355.419 2.311 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NCc2cc(F)cc(F)c2)n1 ZINC000080070351 542562250 /nfs/dbraw/zinc/56/22/50/542562250.db2.gz XAEROOPHSSUOHC-UHFFFAOYSA-N -1 1 353.394 2.409 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000080947636 542617746 /nfs/dbraw/zinc/61/77/46/542617746.db2.gz UDHBMEDUVOZDEI-CHWSQXEVSA-N -1 1 372.494 2.425 20 0 FEADMM Cc1cc(C(=O)Nc2cccc(-n3cccc3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000081247180 542641382 /nfs/dbraw/zinc/64/13/82/542641382.db2.gz DNEJMFCZCKOYFQ-UHFFFAOYSA-N -1 1 361.361 2.375 20 0 FEADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)CCC1CC1)c1noc(C)n1 ZINC000092309292 542856262 /nfs/dbraw/zinc/85/62/62/542856262.db2.gz NKXLZNJJGSFIGD-OAHLLOKOSA-N -1 1 351.428 2.196 20 0 FEADMM CCC[C@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1nn[n-]n1 ZINC000092498054 542865878 /nfs/dbraw/zinc/86/58/78/542865878.db2.gz JNMKDMIUIASGHF-KRWDZBQOSA-N -1 1 366.425 2.374 20 0 FEADMM CC(C)c1nsc([N-]c2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 ZINC000092657365 542878014 /nfs/dbraw/zinc/87/80/14/542878014.db2.gz SNXXJKDWKKGNBW-RYUDHWBXSA-N -1 1 364.475 2.237 20 0 FEADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093908221 542945159 /nfs/dbraw/zinc/94/51/59/542945159.db2.gz ACNDIZMPVSRGSO-JTQLQIEISA-N -1 1 352.387 2.012 20 0 FEADMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000098022682 543017988 /nfs/dbraw/zinc/01/79/88/543017988.db2.gz ONIZWNVLIJKPTO-SNVBAGLBSA-N -1 1 359.332 2.399 20 0 FEADMM COc1ccc(OCCCNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000098022782 543018066 /nfs/dbraw/zinc/01/80/66/543018066.db2.gz MZUAUOUXFGTIIW-UHFFFAOYSA-N -1 1 353.378 2.131 20 0 FEADMM CC[N@H+](CCNC(=O)Cn1c(=S)[n-]nc1-c1cccs1)C1CC1 ZINC000101958764 543051977 /nfs/dbraw/zinc/05/19/77/543051977.db2.gz DYTIUOHNDCGENU-UHFFFAOYSA-N -1 1 351.501 2.270 20 0 FEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000102319909 543064702 /nfs/dbraw/zinc/06/47/02/543064702.db2.gz YVMNTJAWGNVPRQ-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1nnn[n-]1 ZINC000102895207 543084351 /nfs/dbraw/zinc/08/43/51/543084351.db2.gz RIMOMPFZEJKHQW-UHFFFAOYSA-N -1 1 363.175 2.189 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1nn[n-]n1 ZINC000102895207 543084355 /nfs/dbraw/zinc/08/43/55/543084355.db2.gz RIMOMPFZEJKHQW-UHFFFAOYSA-N -1 1 363.175 2.189 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cn1 ZINC000103071739 543090552 /nfs/dbraw/zinc/09/05/52/543090552.db2.gz MWANCVLYJGDFLT-UHFFFAOYSA-N -1 1 353.357 2.246 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000104029745 543120755 /nfs/dbraw/zinc/12/07/55/543120755.db2.gz CGAPFVSFQOPYQL-UHFFFAOYSA-N -1 1 360.364 2.119 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)o1 ZINC000107698409 543276263 /nfs/dbraw/zinc/27/62/63/543276263.db2.gz XYIXENWAVGYLMH-UHFFFAOYSA-N -1 1 362.407 2.390 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000108892076 543307301 /nfs/dbraw/zinc/30/73/01/543307301.db2.gz QMPCAGIPDVBMRM-KGLIPLIRSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]1 ZINC000108892076 543307302 /nfs/dbraw/zinc/30/73/02/543307302.db2.gz QMPCAGIPDVBMRM-KGLIPLIRSA-N -1 1 356.407 2.104 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3N(C)C)ccc21 ZINC000109424408 543324718 /nfs/dbraw/zinc/32/47/18/543324718.db2.gz IDRRRBNQXNMFEZ-UHFFFAOYSA-N -1 1 359.451 2.462 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(CC(F)(F)F)[C@H](C)C3)c[n-]c2n1 ZINC000156006367 545591800 /nfs/dbraw/zinc/59/18/00/545591800.db2.gz IDRBYVZXVLJLMZ-LLVKDONJSA-N -1 1 368.359 2.352 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN(CC(F)(F)F)[C@H](C)C3)cnc2n1 ZINC000156006367 545591797 /nfs/dbraw/zinc/59/17/97/545591797.db2.gz IDRBYVZXVLJLMZ-LLVKDONJSA-N -1 1 368.359 2.352 20 0 FEADMM O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1[O-] ZINC000109875426 543342980 /nfs/dbraw/zinc/34/29/80/543342980.db2.gz NXLAEULQYWUTCC-UHFFFAOYSA-N -1 1 374.198 2.265 20 0 FEADMM CCc1nc(CN2CCC(CNC(=O)c3ncccc3[O-])CC2)cs1 ZINC000111646513 543410311 /nfs/dbraw/zinc/41/03/11/543410311.db2.gz FCRLUFHJDVGCNJ-UHFFFAOYSA-N -1 1 360.483 2.448 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000114413045 543514076 /nfs/dbraw/zinc/51/40/76/543514076.db2.gz VVSOFONWJSRHOO-UONOGXRCSA-N -1 1 372.375 2.338 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cccc(OC(F)F)c3)cc21 ZINC000116159005 543601679 /nfs/dbraw/zinc/60/16/79/543601679.db2.gz MSTOZHSCDGNYMU-UHFFFAOYSA-N -1 1 368.361 2.375 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000118275702 543649734 /nfs/dbraw/zinc/64/97/34/543649734.db2.gz KVYUMNFFCBSDNZ-IFXJQAMLSA-N -1 1 374.485 2.139 20 0 FEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2C1=O ZINC000122827752 543726195 /nfs/dbraw/zinc/72/61/95/543726195.db2.gz OSWOSISDAGDSOF-UHFFFAOYSA-N -1 1 358.419 2.050 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-c2nc[nH]n2)c1)c1ccc(F)c(F)c1F ZINC000123109424 543742369 /nfs/dbraw/zinc/74/23/69/543742369.db2.gz JBVWFWIXZJYASZ-UHFFFAOYSA-N -1 1 368.340 2.368 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1ccc(Cl)nc1 ZINC000122637429 543715391 /nfs/dbraw/zinc/71/53/91/543715391.db2.gz VEWRMUHGSAWSSX-UHFFFAOYSA-N -1 1 373.844 2.392 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000123839760 543786311 /nfs/dbraw/zinc/78/63/11/543786311.db2.gz YYKZGQFILSAGPF-OLZOCXBDSA-N -1 1 372.874 2.204 20 0 FEADMM CC[C@@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123301672 543754189 /nfs/dbraw/zinc/75/41/89/543754189.db2.gz PRCSNSRCSGBLDZ-YJBOKZPZSA-N -1 1 370.449 2.427 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(F)c(F)cc1Br)c1nn[n-]n1 ZINC000124414317 543820302 /nfs/dbraw/zinc/82/03/02/543820302.db2.gz VZNLDRWUGUIDPJ-LURJTMIESA-N -1 1 360.162 2.116 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1nn[n-]n1 ZINC000124462480 543823266 /nfs/dbraw/zinc/82/32/66/543823266.db2.gz CLOJJAHBIQWWSC-SNVBAGLBSA-N -1 1 360.418 2.267 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CO)cc2)cc1C ZINC000125522330 543886477 /nfs/dbraw/zinc/88/64/77/543886477.db2.gz QBLDMWHDYYSRSZ-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM CC(C)(C)c1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)cc1 ZINC000127171336 543976776 /nfs/dbraw/zinc/97/67/76/543976776.db2.gz HWSVYWSQCRVCKD-UHFFFAOYSA-N -1 1 362.455 2.392 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)c2cccs2)o1 ZINC000126963337 543965656 /nfs/dbraw/zinc/96/56/56/543965656.db2.gz XXZJLKBEXWXENJ-UHFFFAOYSA-N -1 1 370.452 2.031 20 0 FEADMM CC(C)COc1ncc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1Cl ZINC000128216494 544039528 /nfs/dbraw/zinc/03/95/28/544039528.db2.gz YIGRAFXAMMPBJC-NSHDSACASA-N -1 1 364.837 2.303 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H](C)CO ZINC000097203311 222167937 /nfs/dbraw/zinc/16/79/37/222167937.db2.gz LPKJXAKWFXCILW-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM O=C(c1ncccc1[O-])N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000133953488 544289468 /nfs/dbraw/zinc/28/94/68/544289468.db2.gz WRTUBJKEMVNZLR-LLVKDONJSA-N -1 1 353.300 2.495 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCC[C@@H]2CCCC[C@@H]2O)c(=O)[n-]1 ZINC000134449451 544308360 /nfs/dbraw/zinc/30/83/60/544308360.db2.gz KLCAQJUCELFHSX-ZFWWWQNUSA-N -1 1 367.515 2.180 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(CCO)CCCCC2)c(=O)[n-]1 ZINC000137254693 544387596 /nfs/dbraw/zinc/38/75/96/544387596.db2.gz OAZAQAGQZOXVPY-UHFFFAOYSA-N -1 1 367.515 2.182 20 0 FEADMM CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CCC)c1nn[n-]n1 ZINC000136686982 544376956 /nfs/dbraw/zinc/37/69/56/544376956.db2.gz KJSZEJVVHLSBLE-AWEZNQCLSA-N -1 1 369.429 2.445 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nn[n-]n1 ZINC000136705453 544377348 /nfs/dbraw/zinc/37/73/48/544377348.db2.gz XTSMKDQBUXGNMY-CQSZACIVSA-N -1 1 358.446 2.247 20 0 FEADMM CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1nc(C)cs1 ZINC000150733633 544466103 /nfs/dbraw/zinc/46/61/03/544466103.db2.gz VDRSJHYHKPCQQJ-CQSZACIVSA-N -1 1 357.457 2.008 20 0 FEADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000150750648 544466979 /nfs/dbraw/zinc/46/69/79/544466979.db2.gz YOKOSBDZTQJBHI-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000152574088 544669805 /nfs/dbraw/zinc/66/98/05/544669805.db2.gz FEDZDZJOQKIJFK-UHFFFAOYSA-N -1 1 370.434 2.341 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccc([C@@H](C)CC)cc2)n[n-]1 ZINC000153153862 544740205 /nfs/dbraw/zinc/74/02/05/544740205.db2.gz JMPGHVGJDZCXBT-NSHDSACASA-N -1 1 350.444 2.293 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H](SC)C2)c(=O)[n-]1 ZINC000154021286 544854868 /nfs/dbraw/zinc/85/48/68/544854868.db2.gz NQQDFVGNOIKNTQ-LBPRGKRZSA-N -1 1 355.529 2.477 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)co1 ZINC000154113061 544866090 /nfs/dbraw/zinc/86/60/90/544866090.db2.gz VAALAUGFJXOZKI-SNVBAGLBSA-N -1 1 372.830 2.038 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000155153918 544995803 /nfs/dbraw/zinc/99/58/03/544995803.db2.gz QDLCNAANBSQFHQ-KGLIPLIRSA-N -1 1 356.216 2.175 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000155153690 544996341 /nfs/dbraw/zinc/99/63/41/544996341.db2.gz QDLCNAANBSQFHQ-KBPBESRZSA-N -1 1 356.216 2.175 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000155155363 544996347 /nfs/dbraw/zinc/99/63/47/544996347.db2.gz MFHOSXXUSHNEJK-ZIAGYGMSSA-N -1 1 356.216 2.175 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H]3[C@H](O)C(F)(F)F)cnc2n1 ZINC000155005506 544976473 /nfs/dbraw/zinc/97/64/73/544976473.db2.gz YCZCIYTUXVEEID-AAEUAGOBSA-N -1 1 355.316 2.172 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H]3[C@H](O)C(F)(F)F)c[n-]c2n1 ZINC000155005506 544976475 /nfs/dbraw/zinc/97/64/75/544976475.db2.gz YCZCIYTUXVEEID-AAEUAGOBSA-N -1 1 355.316 2.172 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)co1 ZINC000802863776 674203266 /nfs/dbraw/zinc/20/32/66/674203266.db2.gz XMEUALDDGRSKBZ-GASCZTMLSA-N -1 1 365.407 2.092 20 0 FEADMM COc1cc(C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000553082446 674237797 /nfs/dbraw/zinc/23/77/97/674237797.db2.gz DUZQIYDWENKCBV-MEBBXXQBSA-N -1 1 362.813 2.442 20 0 FEADMM O=C(CC(F)(F)F)N1CCC(N=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000553377653 674256669 /nfs/dbraw/zinc/25/66/69/674256669.db2.gz LUKAWCVLOKIFAG-UHFFFAOYSA-N -1 1 362.299 2.334 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C2(C)CCC2)c(Br)o1 ZINC000178976099 327619596 /nfs/dbraw/zinc/61/95/96/327619596.db2.gz LFAOCJDYSCHGAL-UHFFFAOYSA-N -1 1 352.206 2.050 20 0 FEADMM CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182028979 327757732 /nfs/dbraw/zinc/75/77/32/327757732.db2.gz LUQSIJDAHMSEFW-LLVKDONJSA-N -1 1 362.373 2.404 20 0 FEADMM CC1CCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000184916156 327889487 /nfs/dbraw/zinc/88/94/87/327889487.db2.gz QKOYZVOKZOCEKT-UHFFFAOYSA-N -1 1 360.863 2.048 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)cc(C(=O)[O-])c1C ZINC000184965316 327892342 /nfs/dbraw/zinc/89/23/42/327892342.db2.gz YYOKOGRMYFCHOO-CQSZACIVSA-N -1 1 368.499 2.400 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)cs1 ZINC000185123762 327900794 /nfs/dbraw/zinc/90/07/94/327900794.db2.gz LURSVFBQHNFPKV-LBPRGKRZSA-N -1 1 358.485 2.085 20 0 FEADMM O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1c([O-])cccc1F ZINC000185201767 327905436 /nfs/dbraw/zinc/90/54/36/327905436.db2.gz QFXLMGWJZRIZGN-INIZCTEOSA-N -1 1 354.341 2.364 20 0 FEADMM COc1ccc(CN2CC[C@@H](NC(=O)c3c([O-])cccc3F)C2=O)cc1 ZINC000185429450 327916019 /nfs/dbraw/zinc/91/60/19/327916019.db2.gz CEEDFCUPPBTERX-OAHLLOKOSA-N -1 1 358.369 2.071 20 0 FEADMM Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2)n1 ZINC000185639627 327926163 /nfs/dbraw/zinc/92/61/63/327926163.db2.gz XINIFULFYHKFBX-UHFFFAOYSA-N -1 1 356.407 2.218 20 0 FEADMM CCN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000185988886 327942446 /nfs/dbraw/zinc/94/24/46/327942446.db2.gz FFYYNSPGOZOWFM-UHFFFAOYSA-N -1 1 358.769 2.115 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000188111865 328066979 /nfs/dbraw/zinc/06/69/79/328066979.db2.gz FRUFTFBBKZKLMS-RISCZKNCSA-N -1 1 359.451 2.453 20 0 FEADMM CC[C@@](C)(CCO)NC(=O)c1cc(I)ccc1[O-] ZINC000190054181 328184703 /nfs/dbraw/zinc/18/47/03/328184703.db2.gz YPBDGQJRCOBCMU-ZDUSSCGKSA-N -1 1 363.195 2.278 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000191782486 328281290 /nfs/dbraw/zinc/28/12/90/328281290.db2.gz XBBRCSQPIYFURF-NKWVEPMBSA-N -1 1 351.329 2.311 20 0 FEADMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C)ccc2Br)C1=O ZINC000193135486 328359289 /nfs/dbraw/zinc/35/92/89/328359289.db2.gz HVRJODSEIGBGSB-AWEZNQCLSA-N -1 1 354.204 2.123 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000193318045 328368671 /nfs/dbraw/zinc/36/86/71/328368671.db2.gz NNEQSHSMJGARIE-AWEZNQCLSA-N -1 1 354.472 2.335 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)cc2)c1 ZINC000194032259 328407931 /nfs/dbraw/zinc/40/79/31/328407931.db2.gz HLMOVKAMXCNHIH-UHFFFAOYSA-N -1 1 371.212 2.054 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])CCC1=O ZINC000194946040 328448345 /nfs/dbraw/zinc/44/83/45/328448345.db2.gz YKCICWBBLLVDAS-MRVPVSSYSA-N -1 1 359.163 2.048 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1OC ZINC000013358839 324374850 /nfs/dbraw/zinc/37/48/50/324374850.db2.gz AOLYGKUYTMKBJV-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000013340802 324375365 /nfs/dbraw/zinc/37/53/65/324375365.db2.gz QIPYACOUSBEOJV-UHFFFAOYSA-N -1 1 374.462 2.328 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000195443161 328477432 /nfs/dbraw/zinc/47/74/32/328477432.db2.gz OVHAIUPAVLGCIW-RNCFNFMXSA-N -1 1 359.835 2.075 20 0 FEADMM Cn1ccc(CNC(=O)c2cc(I)ccc2[O-])c1 ZINC000223661584 328483280 /nfs/dbraw/zinc/48/32/80/328483280.db2.gz XMZRTWFNQQBQSJ-UHFFFAOYSA-N -1 1 356.163 2.265 20 0 FEADMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1cn[nH]c1 ZINC000229973762 328486216 /nfs/dbraw/zinc/48/62/16/328486216.db2.gz ZAGHAZUXLIWGMR-SSDOTTSWSA-N -1 1 357.151 2.211 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000230890260 328486986 /nfs/dbraw/zinc/48/69/86/328486986.db2.gz VXAILRLSNMTKDW-WCQYABFASA-N -1 1 373.190 2.390 20 0 FEADMM O=C(NCCCn1cccn1)c1ccc(I)c([O-])c1 ZINC000230888481 328487077 /nfs/dbraw/zinc/48/70/77/328487077.db2.gz CTWRMVQNPAOBMO-UHFFFAOYSA-N -1 1 371.178 2.013 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000050532425 324695498 /nfs/dbraw/zinc/69/54/98/324695498.db2.gz BCIHKIMDGCDRLU-UHFFFAOYSA-N -1 1 361.423 2.077 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000080001070 325112908 /nfs/dbraw/zinc/11/29/08/325112908.db2.gz UZLFTWPAGSNZBR-UHFFFAOYSA-N -1 1 354.385 2.137 20 0 FEADMM CN1CCN(C(=O)Cc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)CC1 ZINC000080003834 325113605 /nfs/dbraw/zinc/11/36/05/325113605.db2.gz PEXDLZDLGHZBQS-UHFFFAOYSA-N -1 1 371.412 2.100 20 0 FEADMM COc1ccccc1CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091159148 325375794 /nfs/dbraw/zinc/37/57/94/325375794.db2.gz XAIQWZBMDFXQDS-UHFFFAOYSA-N -1 1 352.387 2.387 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COc1ccc(F)cc1 ZINC000091159720 325376316 /nfs/dbraw/zinc/37/63/16/325376316.db2.gz USVKITVEFOEJCE-UHFFFAOYSA-N -1 1 356.350 2.354 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC000107603528 325631174 /nfs/dbraw/zinc/63/11/74/325631174.db2.gz XYYMWMANLOALRW-NWDGAFQWSA-N -1 1 354.815 2.127 20 0 FEADMM CN(C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1c(F)cccc1F ZINC000115635756 325970123 /nfs/dbraw/zinc/97/01/23/325970123.db2.gz PNRIXKYXWHWMFN-OAHLLOKOSA-N -1 1 372.375 2.234 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H]1CCOc2ccccc21 ZINC000117805682 326071591 /nfs/dbraw/zinc/07/15/91/326071591.db2.gz FSIHKVDXIJMSOI-CQSZACIVSA-N -1 1 366.421 2.212 20 0 FEADMM Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000118667288 326096255 /nfs/dbraw/zinc/09/62/55/326096255.db2.gz MWCAYHWSLYJSAU-UHFFFAOYSA-N -1 1 351.428 2.336 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)NC[C@H]2CCCO2)nc1-c1ccccc1 ZINC000118942532 326111834 /nfs/dbraw/zinc/11/18/34/326111834.db2.gz KCJXLSJPIOMYHB-CQSZACIVSA-N -1 1 359.451 2.133 20 0 FEADMM O=C(N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ncccc1[O-] ZINC000119237682 326140575 /nfs/dbraw/zinc/14/05/75/326140575.db2.gz MFDNIXZFDQCDSQ-GFCCVEGCSA-N -1 1 363.299 2.444 20 0 FEADMM O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ncccc1[O-] ZINC000119237682 326140580 /nfs/dbraw/zinc/14/05/80/326140580.db2.gz MFDNIXZFDQCDSQ-GFCCVEGCSA-N -1 1 363.299 2.444 20 0 FEADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119310923 326148558 /nfs/dbraw/zinc/14/85/58/326148558.db2.gz KADJOIFIMVMKQI-RPHGYIDUSA-N -1 1 372.450 2.245 20 0 FEADMM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119398206 326157793 /nfs/dbraw/zinc/15/77/93/326157793.db2.gz UEMQSJSFHCAEDR-CQSZACIVSA-N -1 1 354.410 2.087 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1ccccc1)CC(C)(C)O)c2=O ZINC000119486161 326168207 /nfs/dbraw/zinc/16/82/07/326168207.db2.gz PWDXIDYKHPMYAZ-UHFFFAOYSA-N -1 1 354.410 2.087 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccn2C)c1 ZINC000120967169 326302920 /nfs/dbraw/zinc/30/29/20/326302920.db2.gz JWOUHKQLGWJCOE-UHFFFAOYSA-N -1 1 351.428 2.014 20 0 FEADMM CN(CCO)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000121166967 326318643 /nfs/dbraw/zinc/31/86/43/326318643.db2.gz QKZUXXDPVRDEPN-UHFFFAOYSA-N -1 1 368.842 2.205 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)co1 ZINC000122390900 326394953 /nfs/dbraw/zinc/39/49/53/326394953.db2.gz WFEHUKHUYDUSCU-GFCCVEGCSA-N -1 1 370.814 2.095 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cc(F)ccc1F ZINC000130512066 326558375 /nfs/dbraw/zinc/55/83/75/326558375.db2.gz PULBEGLHJXLBJZ-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cn[nH]c3=O)c2)c1 ZINC000130666980 326561072 /nfs/dbraw/zinc/56/10/72/326561072.db2.gz GDSNCEQMYHYXME-UHFFFAOYSA-N -1 1 358.423 2.485 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c1Cl ZINC000131114963 326568822 /nfs/dbraw/zinc/56/88/22/326568822.db2.gz ONJIVCARGDMPKW-UHFFFAOYSA-N -1 1 369.859 2.071 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(F)cc2Cl)co1 ZINC000132267441 326589783 /nfs/dbraw/zinc/58/97/83/326589783.db2.gz MNVJSLYWPSCEQY-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCCc2sccc21 ZINC000133083327 326602864 /nfs/dbraw/zinc/60/28/64/326602864.db2.gz KEDPEIFJNNSLLP-CYBMUJFWSA-N -1 1 356.451 2.437 20 0 FEADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(Br)cc2[O-])C1 ZINC000152021008 326697160 /nfs/dbraw/zinc/69/71/60/326697160.db2.gz LJSSZDYFIKVWDI-NSHDSACASA-N -1 1 355.232 2.095 20 0 FEADMM CCCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000153098936 326723827 /nfs/dbraw/zinc/72/38/27/326723827.db2.gz VFPJVHJHQKITKP-ZIAGYGMSSA-N -1 1 372.487 2.244 20 0 FEADMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000153150675 326725123 /nfs/dbraw/zinc/72/51/23/326725123.db2.gz XGCZVNHWNNVOHW-LLVKDONJSA-N -1 1 368.315 2.029 20 0 FEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)s1 ZINC000153213040 326726965 /nfs/dbraw/zinc/72/69/65/326726965.db2.gz QLUGSLNVRVMADZ-SNVBAGLBSA-N -1 1 371.484 2.348 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545572943 /nfs/dbraw/zinc/57/29/43/545572943.db2.gz WUMKXDWHSGEFBH-UHFFFAOYSA-N -1 1 367.405 2.303 20 0 FEADMM Cn1[n-]c(=NS(=O)(=O)c2cccc3ncccc32)cc1OC(F)F ZINC000488370577 538735647 /nfs/dbraw/zinc/73/56/47/538735647.db2.gz VVHDYNHHGKPFQC-UHFFFAOYSA-N -1 1 354.338 2.371 20 0 FEADMM CSC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000157238156 545715954 /nfs/dbraw/zinc/71/59/54/545715954.db2.gz VXVQUWYNJDWTHL-LLVKDONJSA-N -1 1 360.501 2.324 20 0 FEADMM CC(C)C(=O)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000478161949 561161106 /nfs/dbraw/zinc/16/11/06/561161106.db2.gz UUZVWFQZFHVVAK-UHFFFAOYSA-N -1 1 355.232 2.095 20 0 FEADMM Cc1nc(SCCN(Cc2ccccc2)S(C)(=O)=O)[n-]c(=O)c1C ZINC000478730757 561173699 /nfs/dbraw/zinc/17/36/99/561173699.db2.gz DBPGYSJTLYTXJG-UHFFFAOYSA-N -1 1 367.496 2.353 20 0 FEADMM COCCC1(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CCCCC1 ZINC000478774185 561174640 /nfs/dbraw/zinc/17/46/40/561174640.db2.gz RSOYJLXUSNXYQA-UHFFFAOYSA-N -1 1 359.444 2.332 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)o1 ZINC000479192379 561183995 /nfs/dbraw/zinc/18/39/95/561183995.db2.gz VEJDKDATQIINFD-QWHCGFSZSA-N -1 1 359.444 2.330 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](COC)c2ccc(C)o2)o1 ZINC000479234234 561185500 /nfs/dbraw/zinc/18/55/00/561185500.db2.gz BPGYIFGRIJXKJJ-NSHDSACASA-N -1 1 357.384 2.024 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(Cl)c1)OCO2 ZINC000479252900 561185980 /nfs/dbraw/zinc/18/59/80/561185980.db2.gz LNJZRABJEYUQHO-UHFFFAOYSA-N -1 1 368.798 2.277 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000176255546 546425399 /nfs/dbraw/zinc/42/53/99/546425399.db2.gz DMVFPPBMLLQAFQ-GHMZBOCLSA-N -1 1 355.225 2.257 20 0 FEADMM C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCCc4nc(=O)[n-][nH]4)cc3c2C1 ZINC000176267704 546425557 /nfs/dbraw/zinc/42/55/57/546425557.db2.gz ANILORMQCWRSHJ-LLVKDONJSA-N -1 1 353.426 2.067 20 0 FEADMM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480696082 561214646 /nfs/dbraw/zinc/21/46/46/561214646.db2.gz TUTAOPTUHDLIMX-NSHDSACASA-N -1 1 372.231 2.413 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1nn[n-]n1 ZINC000176752495 546484613 /nfs/dbraw/zinc/48/46/13/546484613.db2.gz JVAMNVDLCMNFHV-BXKDBHETSA-N -1 1 368.235 2.387 20 0 FEADMM CCC[C@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1nn[n-]n1 ZINC000176775965 546486249 /nfs/dbraw/zinc/48/62/49/546486249.db2.gz AUQIUIKFFFSSEK-AWEZNQCLSA-N -1 1 368.445 2.483 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CN1c1ccccc1 ZINC000480904045 561219996 /nfs/dbraw/zinc/21/99/96/561219996.db2.gz FSIAFFIOAJMXBL-OAHLLOKOSA-N -1 1 368.817 2.314 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCCO[C@H]2C(C)C)c(=O)[n-]1 ZINC000177887418 546701921 /nfs/dbraw/zinc/70/19/21/546701921.db2.gz ZOLRVBLJJZZDCZ-CJNGLKHVSA-N -1 1 367.515 2.300 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1C ZINC000481609181 561237350 /nfs/dbraw/zinc/23/73/50/561237350.db2.gz NWMSLGKINJDNQU-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C1CC1 ZINC000178838284 546859532 /nfs/dbraw/zinc/85/95/32/546859532.db2.gz SIZLYEHMYMVJOZ-VIFPVBQESA-N -1 1 369.668 2.201 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3nc(C)cs3)CCCC2)co1 ZINC000178912228 546872233 /nfs/dbraw/zinc/87/22/33/546872233.db2.gz XLANBYQBCASGMF-UHFFFAOYSA-N -1 1 369.468 2.152 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000178939838 546876724 /nfs/dbraw/zinc/87/67/24/546876724.db2.gz FYNFHBXLFWOLOU-LJQANCHMSA-N -1 1 371.462 2.114 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)co1 ZINC000179231753 546917482 /nfs/dbraw/zinc/91/74/82/546917482.db2.gz YOJGVHFZUFHZMC-UHFFFAOYSA-N -1 1 362.329 2.137 20 0 FEADMM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179484350 546963411 /nfs/dbraw/zinc/96/34/11/546963411.db2.gz MPRXVPSHGKQLDU-CQSZACIVSA-N -1 1 354.414 2.002 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000179541371 546974043 /nfs/dbraw/zinc/97/40/43/546974043.db2.gz ZVYHLJFKZUMAKB-CHWSQXEVSA-N -1 1 366.826 2.435 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000179540743 546974414 /nfs/dbraw/zinc/97/44/14/546974414.db2.gz CYBGTYOTDQEBFY-RYUDHWBXSA-N -1 1 366.826 2.435 20 0 FEADMM Cn1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1=O ZINC000179883910 547023900 /nfs/dbraw/zinc/02/39/00/547023900.db2.gz YPXVGOOFYSIEDN-UHFFFAOYSA-N -1 1 364.814 2.025 20 0 FEADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000181005138 547228537 /nfs/dbraw/zinc/22/85/37/547228537.db2.gz VDASLKIAQBUNNG-UHFFFAOYSA-N -1 1 351.406 2.336 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1 ZINC000181157944 547260836 /nfs/dbraw/zinc/26/08/36/547260836.db2.gz PWIGXEJBLJFWRD-UHFFFAOYSA-N -1 1 371.422 2.241 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@@H](Oc3cccc(F)c3)C1)c2=O ZINC000181908122 547402106 /nfs/dbraw/zinc/40/21/06/547402106.db2.gz IXUGCKLFRROGSO-CYBMUJFWSA-N -1 1 356.357 2.107 20 0 FEADMM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181917066 547403942 /nfs/dbraw/zinc/40/39/42/547403942.db2.gz RKIUFGIIFXPSAG-LRDDRELGSA-N -1 1 352.394 2.276 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC1(c3ccc(F)cc3)CCOCC1)c2=O ZINC000181964244 547414828 /nfs/dbraw/zinc/41/48/28/547414828.db2.gz PANFMSVXEOXZJT-UHFFFAOYSA-N -1 1 370.384 2.249 20 0 FEADMM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182008723 547421625 /nfs/dbraw/zinc/42/16/25/547421625.db2.gz BQZAVGGYNWBBPV-AWEZNQCLSA-N -1 1 364.323 2.463 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCc1cncc(F)c1 ZINC000182077985 547433560 /nfs/dbraw/zinc/43/35/60/547433560.db2.gz WMIXOEXOPAXJQU-UHFFFAOYSA-N -1 1 355.366 2.303 20 0 FEADMM CCN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H](C)CS(=O)(=O)CC ZINC000182297782 547469310 /nfs/dbraw/zinc/46/93/10/547469310.db2.gz FQRDCZJBTCPJPH-LBPRGKRZSA-N -1 1 353.440 2.144 20 0 FEADMM Cc1nn(C)c(C)c1CCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000182298109 547469373 /nfs/dbraw/zinc/46/93/73/547469373.db2.gz ANYQZUCMJVHKKS-UHFFFAOYSA-N -1 1 359.474 2.089 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)cn1 ZINC000182875066 547565138 /nfs/dbraw/zinc/56/51/38/547565138.db2.gz UKKPDMVNSDVYNA-NSHDSACASA-N -1 1 355.288 2.280 20 0 FEADMM Cc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000183413987 547653788 /nfs/dbraw/zinc/65/37/88/547653788.db2.gz PEPPMQMZUCHROO-JTQLQIEISA-N -1 1 359.821 2.223 20 0 FEADMM C[C@H](CN(C)C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC000183425302 547656637 /nfs/dbraw/zinc/65/66/37/547656637.db2.gz JFYXCNMOMUONGF-CYBMUJFWSA-N -1 1 355.442 2.304 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)CC2 ZINC000484687890 561303344 /nfs/dbraw/zinc/30/33/44/561303344.db2.gz HFYATZXVYTXVHN-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM CC(C)(CNC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1Cl ZINC000484905497 561308326 /nfs/dbraw/zinc/30/83/26/561308326.db2.gz ONRGQLXGMAFVNY-UHFFFAOYSA-N -1 1 361.829 2.264 20 0 FEADMM NS(=O)(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)nc1 ZINC000485341795 561317227 /nfs/dbraw/zinc/31/72/27/561317227.db2.gz BXOCMSCJXGOVMK-UHFFFAOYSA-N -1 1 371.205 2.352 20 0 FEADMM O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccc(Br)cc1[O-] ZINC000185379203 547977533 /nfs/dbraw/zinc/97/75/33/547977533.db2.gz PXMIVGDCYMCOKO-LBPRGKRZSA-N -1 1 366.211 2.194 20 0 FEADMM O=S(=O)([N-][C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl ZINC000185477950 547990169 /nfs/dbraw/zinc/99/01/69/547990169.db2.gz QGKMEXUOIPTUPW-NSHDSACASA-N -1 1 370.837 2.216 20 0 FEADMM CC(C)c1nnc(CNC(=O)c2ccc(Br)c([O-])c2)n1C ZINC000186481082 548141619 /nfs/dbraw/zinc/14/16/19/548141619.db2.gz FEMOJXXKJIWXEI-UHFFFAOYSA-N -1 1 353.220 2.337 20 0 FEADMM CC(=O)N1CCN(Cc2ccccc2NC(=O)c2ccccc2[O-])CC1 ZINC000186622952 548161345 /nfs/dbraw/zinc/16/13/45/548161345.db2.gz OMFXZSUVPNICJO-UHFFFAOYSA-N -1 1 353.422 2.309 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc(Cl)c1[O-] ZINC000186784964 548192235 /nfs/dbraw/zinc/19/22/35/548192235.db2.gz GDIQTDQZOLHANG-RYUDHWBXSA-N -1 1 356.850 2.283 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc(Cl)c1[O-] ZINC000186783216 548192866 /nfs/dbraw/zinc/19/28/66/548192866.db2.gz JDCKQUDWPIGFMU-CYBMUJFWSA-N -1 1 356.850 2.285 20 0 FEADMM O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186976865 548233597 /nfs/dbraw/zinc/23/35/97/548233597.db2.gz HSNVYERDKXHENB-CABCVRRESA-N -1 1 362.376 2.036 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000187050823 548248032 /nfs/dbraw/zinc/24/80/32/548248032.db2.gz XYSHHKHBQZXINU-UHFFFAOYSA-N -1 1 352.343 2.080 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000187053210 548248360 /nfs/dbraw/zinc/24/83/60/548248360.db2.gz IFVKLPZTVLFEIW-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1 ZINC000486487701 561348624 /nfs/dbraw/zinc/34/86/24/561348624.db2.gz BNZGNOVYIRNUKB-QFIPXVFZSA-N -1 1 355.437 2.242 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cnnc(-c2ccccc2)c1 ZINC000486496846 561348907 /nfs/dbraw/zinc/34/89/07/561348907.db2.gz RLGGZLRDTUTNIG-UHFFFAOYSA-N -1 1 374.404 2.439 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000486512959 561349620 /nfs/dbraw/zinc/34/96/20/561349620.db2.gz AWYDBZDGQSOYDC-UHFFFAOYSA-N -1 1 370.814 2.257 20 0 FEADMM CCN(C(=O)[C@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1)C1CCCCC1 ZINC000195166164 548588060 /nfs/dbraw/zinc/58/80/60/548588060.db2.gz DRCLCFOSPJHCAH-LBPRGKRZSA-N -1 1 370.519 2.446 20 0 FEADMM CCN(C(=O)[C@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1)C1CCCCC1 ZINC000195166164 548588067 /nfs/dbraw/zinc/58/80/67/548588067.db2.gz DRCLCFOSPJHCAH-LBPRGKRZSA-N -1 1 370.519 2.446 20 0 FEADMM CCN(C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1)C1CCCCC1 ZINC000195166164 548588072 /nfs/dbraw/zinc/58/80/72/548588072.db2.gz DRCLCFOSPJHCAH-LBPRGKRZSA-N -1 1 370.519 2.446 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)s1 ZINC000487019189 561361641 /nfs/dbraw/zinc/36/16/41/561361641.db2.gz FYXSJMOIBMPTRL-MRVPVSSYSA-N -1 1 370.456 2.368 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)C[C@H](C)O1 ZINC000230884972 548761903 /nfs/dbraw/zinc/76/19/03/548761903.db2.gz XOADMUGXTNITDE-DTORHVGOSA-N -1 1 361.179 2.246 20 0 FEADMM C[C@@H](CO)CCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230904180 548762966 /nfs/dbraw/zinc/76/29/66/548762966.db2.gz VVGXSOKSXROVFX-SECBINFHSA-N -1 1 363.195 2.135 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)sc1C(=O)[O-] ZINC000237571528 548835398 /nfs/dbraw/zinc/83/53/98/548835398.db2.gz FVBFBDMKMPOWOY-ZYHUDNBSSA-N -1 1 360.501 2.153 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000489510748 561413217 /nfs/dbraw/zinc/41/32/17/561413217.db2.gz OWTCBZXRCNEMBC-JKSUJKDBSA-N -1 1 353.422 2.045 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000489544455 561413966 /nfs/dbraw/zinc/41/39/66/561413966.db2.gz CIMZQTIEZQWTBS-GFCCVEGCSA-N -1 1 366.377 2.049 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc(C(=O)[O-])c1C ZINC000248900162 549524093 /nfs/dbraw/zinc/52/40/93/549524093.db2.gz WVWVPTLUIHFQOF-OCCSQVGLSA-N -1 1 368.499 2.400 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)sc1C(=O)[O-] ZINC000261803196 549756972 /nfs/dbraw/zinc/75/69/72/549756972.db2.gz FVBFBDMKMPOWOY-JQWIXIFHSA-N -1 1 360.501 2.153 20 0 FEADMM CCOc1ccc(C[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C(=O)[O-])cc1 ZINC000262956969 549865858 /nfs/dbraw/zinc/86/58/58/549865858.db2.gz JQWKBHSXCKVIEL-AWEZNQCLSA-N -1 1 368.393 2.030 20 0 FEADMM Cn1nccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000263835083 549943507 /nfs/dbraw/zinc/94/35/07/549943507.db2.gz FLPXCICDTPIATH-UHFFFAOYSA-N -1 1 354.819 2.001 20 0 FEADMM CCCOc1ccc(C(=O)CCC(=O)Nc2nnn[n-]2)cc1OCCC ZINC000264020481 549969233 /nfs/dbraw/zinc/96/92/33/549969233.db2.gz OOADZDNJULUNGU-UHFFFAOYSA-N -1 1 361.402 2.379 20 0 FEADMM CCCOc1ccc(C(=O)CCC(=O)Nc2nn[n-]n2)cc1OCCC ZINC000264020481 549969235 /nfs/dbraw/zinc/96/92/35/549969235.db2.gz OOADZDNJULUNGU-UHFFFAOYSA-N -1 1 361.402 2.379 20 0 FEADMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000264058547 549973844 /nfs/dbraw/zinc/97/38/44/549973844.db2.gz ISGYKYFFFRFVKD-LBPRGKRZSA-N -1 1 360.418 2.355 20 0 FEADMM COCc1nnc(S(=O)(=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000268494261 550076352 /nfs/dbraw/zinc/07/63/52/550076352.db2.gz PPTCLZNQTMUAMA-QMMMGPOBSA-N -1 1 365.333 2.385 20 0 FEADMM COCc1nc(S(=O)(=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000268494261 550076355 /nfs/dbraw/zinc/07/63/55/550076355.db2.gz PPTCLZNQTMUAMA-QMMMGPOBSA-N -1 1 365.333 2.385 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H](O)C1CCCCC1 ZINC000268556334 550086568 /nfs/dbraw/zinc/08/65/68/550086568.db2.gz NPHCSTFGPQKWHZ-KRWDZBQOSA-N -1 1 370.453 2.153 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOCC23CCCC3)c(=O)[n-]1 ZINC000270688753 550296765 /nfs/dbraw/zinc/29/67/65/550296765.db2.gz VVGGQMPRLYDDFE-UHFFFAOYSA-N -1 1 351.472 2.317 20 0 FEADMM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000271753849 550399837 /nfs/dbraw/zinc/39/98/37/550399837.db2.gz ZQZTWVSAXWLHQP-GXFFZTMASA-N -1 1 373.862 2.137 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000272881417 550475172 /nfs/dbraw/zinc/47/51/72/550475172.db2.gz VPWUFNVAUXHXRR-IAGOWNOFSA-N -1 1 363.435 2.152 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000273346026 550495134 /nfs/dbraw/zinc/49/51/34/550495134.db2.gz BGRJWZCXJAWJBI-PXNSSMCTSA-N -1 1 368.437 2.169 20 0 FEADMM COc1ccc(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])c(OC)c1 ZINC000273368849 550495962 /nfs/dbraw/zinc/49/59/62/550495962.db2.gz VHPNSMZCXARKGB-AWEZNQCLSA-N -1 1 363.439 2.125 20 0 FEADMM C[C@@H]1CN(Cc2csc(NC([O-])=NO[C@@H]3CCCCO3)n2)C[C@H](C)O1 ZINC000274742555 550551305 /nfs/dbraw/zinc/55/13/05/550551305.db2.gz KIBSELONQMVYCJ-MBNYWOFBSA-N -1 1 370.475 2.332 20 0 FEADMM C[C@@H]1CN(Cc2csc(NC(=O)[N-]O[C@@H]3CCCCO3)n2)C[C@H](C)O1 ZINC000274742555 550551306 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CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000277664476 550698656 /nfs/dbraw/zinc/69/86/56/550698656.db2.gz JHVUWPPPHWAGQR-UHFFFAOYSA-N -1 1 358.398 2.010 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc4cc[nH]c43)CC2)n1 ZINC000277749123 550709745 /nfs/dbraw/zinc/70/97/45/550709745.db2.gz PJVLLQKVAUPIDD-UHFFFAOYSA-N -1 1 367.409 2.483 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(C)c(C)c3O)CC2)n1 ZINC000277830795 550719051 /nfs/dbraw/zinc/71/90/51/550719051.db2.gz WEDODRGQSQAYQI-UHFFFAOYSA-N -1 1 372.425 2.324 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)c3cccnc3)CC2)n1 ZINC000277873223 550723991 /nfs/dbraw/zinc/72/39/91/550723991.db2.gz VHTWTGLOMKJAGG-LBPRGKRZSA-N -1 1 372.429 2.027 20 0 FEADMM C[C@H]1COCC[C@@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000278434012 550785585 /nfs/dbraw/zinc/78/55/85/550785585.db2.gz HAIBPZRNHOFZKI-KWQFWETISA-N -1 1 361.179 2.152 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCc2cc(Cl)ccc2OC)n1 ZINC000278557318 550799005 /nfs/dbraw/zinc/79/90/05/550799005.db2.gz 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O=C(CCCNC(=O)C(=O)c1ccc([O-])cc1)N1CCc2ccccc21 ZINC000280915082 551045035 /nfs/dbraw/zinc/04/50/35/551045035.db2.gz IXBDIYXBMOINQD-UHFFFAOYSA-N -1 1 352.390 2.061 20 0 FEADMM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccn1 ZINC000280985233 551051987 /nfs/dbraw/zinc/05/19/87/551051987.db2.gz KJOKYYYLSDWFLW-LLVKDONJSA-N -1 1 358.364 2.243 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC000281152506 551068673 /nfs/dbraw/zinc/06/86/73/551068673.db2.gz ILLJAPRHXYZKPS-SNVBAGLBSA-N -1 1 359.817 2.108 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(=O)NC3CC3)cc1)OCO2 ZINC000281153449 551069142 /nfs/dbraw/zinc/06/91/42/551069142.db2.gz OPTKATACRLQRFX-UHFFFAOYSA-N -1 1 374.418 2.417 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000281603183 551119171 /nfs/dbraw/zinc/11/91/71/551119171.db2.gz KDFPBUWYEPRNMF-SECBINFHSA-N -1 1 351.346 2.326 20 0 FEADMM CC(C)c1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc(=O)[nH]1 ZINC000281610186 551120431 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FEADMM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000497582885 561504293 /nfs/dbraw/zinc/50/42/93/561504293.db2.gz RMKGCUZRFHBDKL-AWEZNQCLSA-N -1 1 370.453 2.412 20 0 FEADMM CCCCNC(=O)[C@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000497582885 561504294 /nfs/dbraw/zinc/50/42/94/561504294.db2.gz RMKGCUZRFHBDKL-AWEZNQCLSA-N -1 1 370.453 2.412 20 0 FEADMM O=C(COc1cccc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282804214 551272141 /nfs/dbraw/zinc/27/21/41/551272141.db2.gz AQLPUBFQWYPXKE-AWEZNQCLSA-N -1 1 352.394 2.036 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282838665 551276163 /nfs/dbraw/zinc/27/61/63/551276163.db2.gz FBYCXHCWCRONAG-CQSZACIVSA-N -1 1 372.425 2.073 20 0 FEADMM O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282946475 551288307 /nfs/dbraw/zinc/28/83/07/551288307.db2.gz QBKAUHJCTFVPBV-CQSZACIVSA-N -1 1 365.393 2.305 20 0 FEADMM O=C(c1ccc(SC(F)F)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283018782 551298541 /nfs/dbraw/zinc/29/85/41/551298541.db2.gz XHBODFTWDMCKQT-SNVBAGLBSA-N -1 1 354.382 2.433 20 0 FEADMM O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283237012 551333945 /nfs/dbraw/zinc/33/39/45/551333945.db2.gz JCHATFPTYWRAPR-HNNXBMFYSA-N -1 1 355.442 2.108 20 0 FEADMM CC(C)Oc1cccc([C@H](O)CNC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000283375068 551356076 /nfs/dbraw/zinc/35/60/76/551356076.db2.gz JSLZTQGMAWEDOW-OAHLLOKOSA-N -1 1 372.450 2.269 20 0 FEADMM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc2n[n-]c(=S)n2c1 ZINC000283416408 551362811 /nfs/dbraw/zinc/36/28/11/551362811.db2.gz LXXUIJDYRUUFFW-HNNXBMFYSA-N -1 1 354.435 2.262 20 0 FEADMM COc1ccc(CN[C@@]2(C(=O)[O-])CCSC2)c(Br)c1O ZINC000283783241 551426345 /nfs/dbraw/zinc/42/63/45/551426345.db2.gz DQDMYOJVICKAKS-ZDUSSCGKSA-N -1 1 362.245 2.213 20 0 FEADMM COc1cc(F)c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1F ZINC000283813097 551431650 /nfs/dbraw/zinc/43/16/50/551431650.db2.gz IWKZNVPTFKXOEP-UHFFFAOYSA-N -1 1 353.297 2.236 20 0 FEADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1F ZINC000498008382 561513727 /nfs/dbraw/zinc/51/37/27/561513727.db2.gz HZWQUXHDEUCQRX-UHFFFAOYSA-N -1 1 374.415 2.094 20 0 FEADMM O=S(=O)(CCC(F)(F)F)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000284463019 551554104 /nfs/dbraw/zinc/55/41/04/551554104.db2.gz XYLGWMBDKKJFCQ-SNVBAGLBSA-N -1 1 365.295 2.308 20 0 FEADMM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cncc([O-])c1 ZINC000555816469 674377576 /nfs/dbraw/zinc/37/75/76/674377576.db2.gz KWHVVBGKXKGZFR-UHFFFAOYSA-N -1 1 363.439 2.377 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000498502813 561526036 /nfs/dbraw/zinc/52/60/36/561526036.db2.gz AOQBIODDUYMKMB-UHFFFAOYSA-N -1 1 362.310 2.126 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000284856083 551651510 /nfs/dbraw/zinc/65/15/10/551651510.db2.gz DDNMCYJPKAPYHR-MRVWCRGKSA-N -1 1 370.243 2.157 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000284947468 551674138 /nfs/dbraw/zinc/67/41/38/551674138.db2.gz BROQCKQOKJYRBR-KBPBESRZSA-N -1 1 364.471 2.143 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)cn1 ZINC000285156483 551712283 /nfs/dbraw/zinc/71/22/83/551712283.db2.gz PPKSCLUHAHPICO-ZDUSSCGKSA-N -1 1 363.439 2.116 20 0 FEADMM CN(CCCN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1)Cc1ccco1 ZINC000285418453 551753258 /nfs/dbraw/zinc/75/32/58/551753258.db2.gz KUPIUBXNXFTXBA-UHFFFAOYSA-N -1 1 366.439 2.120 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000286077934 551846105 /nfs/dbraw/zinc/84/61/05/551846105.db2.gz VNENADZNGLQKMO-JTQLQIEISA-N -1 1 352.387 2.278 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000286441228 551885787 /nfs/dbraw/zinc/88/57/87/551885787.db2.gz ICKZXVNMUKTILF-OAHLLOKOSA-N -1 1 358.398 2.432 20 0 FEADMM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000286615509 551906595 /nfs/dbraw/zinc/90/65/95/551906595.db2.gz CBMHCDRPKMWGJE-WCQYABFASA-N -1 1 358.360 2.346 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc3c2CNC3=O)c(=O)[n-]1 ZINC000286831401 551931218 /nfs/dbraw/zinc/93/12/18/551931218.db2.gz WAKCWUIRBAEUQN-UHFFFAOYSA-N -1 1 358.423 2.027 20 0 FEADMM CN(C)[C@@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1Cl ZINC000286998447 551950033 /nfs/dbraw/zinc/95/00/33/551950033.db2.gz BATFSLPDWFMUOT-VBHMAFOESA-N -1 1 372.860 2.420 20 0 FEADMM CC(C)C[C@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(=O)OC(C)(C)C ZINC000287007820 551951115 /nfs/dbraw/zinc/95/11/15/551951115.db2.gz CRLVEHGGUIUSRK-DTHVTWRFSA-N -1 1 361.446 2.220 20 0 FEADMM C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000287202534 551975886 /nfs/dbraw/zinc/97/58/86/551975886.db2.gz LZESFKYCDGLGLV-KBXCAEBGSA-N -1 1 374.462 2.326 20 0 FEADMM O=C(NCc1ccc(N2CCCCC2=O)cc1)C(=O)c1ccc([O-])cc1 ZINC000287236942 551979733 /nfs/dbraw/zinc/97/97/33/551979733.db2.gz ONNSDYAXUBTLJB-UHFFFAOYSA-N -1 1 352.390 2.408 20 0 FEADMM CCCCCN(CCCCC)C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287406970 551999999 /nfs/dbraw/zinc/99/99/99/551999999.db2.gz KJHOVJKYDATNGW-JWGURIENSA-N -1 1 359.474 2.489 20 0 FEADMM O=C([N-]CC1CCN(c2nnc(-c3ccon3)s2)CC1)C(F)(F)F ZINC000287539176 552017275 /nfs/dbraw/zinc/01/72/75/552017275.db2.gz BLLLVGOMXDHLPV-UHFFFAOYSA-N -1 1 361.349 2.088 20 0 FEADMM COc1cc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc(OC)c1OC ZINC000287721565 552038165 /nfs/dbraw/zinc/03/81/65/552038165.db2.gz SNKRNOVNJIRQNE-LLVKDONJSA-N -1 1 359.378 2.478 20 0 FEADMM Cc1ocnc1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287836283 552053043 /nfs/dbraw/zinc/05/30/43/552053043.db2.gz NYVACXVSWMLFLV-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)COCc2ccccc2)o1 ZINC000499673721 561555750 /nfs/dbraw/zinc/55/57/50/561555750.db2.gz GJPVOWMPFNBEJO-UHFFFAOYSA-N -1 1 367.423 2.340 20 0 FEADMM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288295378 552127694 /nfs/dbraw/zinc/12/76/94/552127694.db2.gz SWZHQFAYVNUTHV-LBPRGKRZSA-N -1 1 354.410 2.427 20 0 FEADMM O=S(=O)(CCCCF)[N-]c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000288550208 552173467 /nfs/dbraw/zinc/17/34/67/552173467.db2.gz IVNPSSHISUZTDS-UHFFFAOYSA-N -1 1 363.354 2.472 20 0 FEADMM CCn1cnc2c1ncnc2N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000288552217 552173889 /nfs/dbraw/zinc/17/38/89/552173889.db2.gz PLYNSCYVBIABGI-DCAQKATOSA-N -1 1 370.379 2.128 20 0 FEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000288629673 552188120 /nfs/dbraw/zinc/18/81/20/552188120.db2.gz NTFIGVBXOJBHBW-SNVBAGLBSA-N -1 1 356.753 2.058 20 0 FEADMM CCN1CCN(C(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)[C@@H](C)C1 ZINC000288651443 552192189 /nfs/dbraw/zinc/19/21/89/552192189.db2.gz ZTTIJDRYRPAZBB-AWEZNQCLSA-N -1 1 369.469 2.038 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000288870221 552227987 /nfs/dbraw/zinc/22/79/87/552227987.db2.gz XYTVPWZQLMIGCT-KOLCDFICSA-N -1 1 365.373 2.449 20 0 FEADMM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)Nc1cc(Cl)ccc1Cl ZINC000289444644 552322779 /nfs/dbraw/zinc/32/27/79/552322779.db2.gz OPKVAAJUYKNHOA-SECBINFHSA-N -1 1 370.240 2.223 20 0 FEADMM O=c1nc([C@H]2CCCN(Cc3nnc(-c4ccccc4Cl)o3)C2)[nH][n-]1 ZINC000289461329 552325305 /nfs/dbraw/zinc/32/53/05/552325305.db2.gz QBMBPRRQCLGDMF-JTQLQIEISA-N -1 1 360.805 2.181 20 0 FEADMM CC(C)n1nccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289530775 552336040 /nfs/dbraw/zinc/33/60/40/552336040.db2.gz OOQUOQGBJNFVQD-NSHDSACASA-N -1 1 361.368 2.386 20 0 FEADMM CN(CC1CC1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289698779 552364017 /nfs/dbraw/zinc/36/40/17/552364017.db2.gz DPCNBUBEHNVSJO-UHFFFAOYSA-N -1 1 351.255 2.140 20 0 FEADMM COCc1nc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cs1 ZINC000290180765 552439016 /nfs/dbraw/zinc/43/90/16/552439016.db2.gz QVTMLLACDOXSBL-UHFFFAOYSA-N -1 1 352.359 2.185 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290272420 552451880 /nfs/dbraw/zinc/45/18/80/552451880.db2.gz AHOCUBKVDRRJLC-RMIALFOJSA-N -1 1 372.391 2.134 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccnc3ccncc32)C1)C(F)(F)F ZINC000290881580 552555041 /nfs/dbraw/zinc/55/50/41/552555041.db2.gz BXQYTVGIKYTVDQ-NSHDSACASA-N -1 1 366.343 2.161 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1)C(F)(F)F ZINC000291065541 552582693 /nfs/dbraw/zinc/58/26/93/552582693.db2.gz IFCBTTYOXYDLFL-JTQLQIEISA-N -1 1 359.348 2.084 20 0 FEADMM Nc1nc(C2CC2)ncc1C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000501263746 561593652 /nfs/dbraw/zinc/59/36/52/561593652.db2.gz PGLBGVDTUPZUOR-UHFFFAOYSA-N -1 1 356.336 2.279 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn(CC(F)F)c2)CCCCC1 ZINC000291847642 552667651 /nfs/dbraw/zinc/66/76/51/552667651.db2.gz FMHUINQOYUPDLN-UHFFFAOYSA-N -1 1 365.402 2.013 20 0 FEADMM C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000291896579 552672842 /nfs/dbraw/zinc/67/28/42/552672842.db2.gz KGUCREKZXMMUHH-LBPRGKRZSA-N -1 1 370.446 2.019 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000292181847 552702112 /nfs/dbraw/zinc/70/21/12/552702112.db2.gz JNUREPQKSASDED-UHFFFAOYSA-N -1 1 352.437 2.103 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000292254013 552709244 /nfs/dbraw/zinc/70/92/44/552709244.db2.gz PAZXKNPLFFISPQ-BLLLJJGKSA-N -1 1 370.471 2.080 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000292613482 552743198 /nfs/dbraw/zinc/74/31/98/552743198.db2.gz NZHMIMBWSCBXEY-JLLWLGSASA-N -1 1 373.379 2.028 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000292759465 552755864 /nfs/dbraw/zinc/75/58/64/552755864.db2.gz RLYIVCGYFYTTGD-CQSZACIVSA-N -1 1 370.478 2.490 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c(C(F)(F)F)n1 ZINC000293050245 552784046 /nfs/dbraw/zinc/78/40/46/552784046.db2.gz KNLFRFWOUSZUNT-UHFFFAOYSA-N -1 1 372.372 2.441 20 0 FEADMM CCOC1CC(N(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000293484551 552828522 /nfs/dbraw/zinc/82/85/22/552828522.db2.gz QTLLFWMSJQADAV-UHFFFAOYSA-N -1 1 356.426 2.121 20 0 FEADMM O=C(Nc1cccc(-n2ccnn2)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000501737766 561604396 /nfs/dbraw/zinc/60/43/96/561604396.db2.gz YSTGOJKRMXDRKY-UHFFFAOYSA-N -1 1 358.361 2.474 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc3c2CCCC3)c1 ZINC000294263442 552892200 /nfs/dbraw/zinc/89/22/00/552892200.db2.gz FOWLHQFKGKDHTM-UHFFFAOYSA-N -1 1 352.437 2.232 20 0 FEADMM O=C(N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)C1(Cc2ccccc2Cl)CC1 ZINC000294284278 552893731 /nfs/dbraw/zinc/89/37/31/552893731.db2.gz GTNRZDCQOYTTSX-CYBMUJFWSA-N -1 1 360.845 2.480 20 0 FEADMM CCCN(CC)c1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000294602298 552919381 /nfs/dbraw/zinc/91/93/81/552919381.db2.gz ZYVQKQZTSPHDJN-OAHLLOKOSA-N -1 1 357.458 2.354 20 0 FEADMM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000295338963 552989875 /nfs/dbraw/zinc/98/98/75/552989875.db2.gz QRJVYAWJDWKJCF-VIFPVBQESA-N -1 1 369.668 2.343 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)o1 ZINC000295439442 553007087 /nfs/dbraw/zinc/00/70/87/553007087.db2.gz QRAXBRYREXEFHL-AEJSXWLSSA-N -1 1 368.377 2.379 20 0 FEADMM C[C@@H](O)[C@](C)(CNC(=O)c1ccc2n[n-]c(=S)n2c1)Cc1ccccc1 ZINC000295798240 553060223 /nfs/dbraw/zinc/06/02/23/553060223.db2.gz VTCWPPBOIMGQSA-YJYMSZOUSA-N -1 1 370.478 2.378 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000502445116 561618783 /nfs/dbraw/zinc/61/87/83/561618783.db2.gz XELOQDJFDGCVGB-UHFFFAOYSA-N -1 1 359.411 2.036 20 0 FEADMM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000502466953 561619029 /nfs/dbraw/zinc/61/90/29/561619029.db2.gz RKUJZKRVEXNMOY-MRVPVSSYSA-N -1 1 371.659 2.224 20 0 FEADMM CC[C@H](C)[C@@H](CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)OC ZINC000296956323 553235012 /nfs/dbraw/zinc/23/50/12/553235012.db2.gz PYQHIFXVQWPIQD-XHDPSFHLSA-N -1 1 373.475 2.249 20 0 FEADMM COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000502990826 561631833 /nfs/dbraw/zinc/63/18/33/561631833.db2.gz PPOLLIDBPMXLHC-INIZCTEOSA-N -1 1 354.341 2.010 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(Cc2ccco2)CC1 ZINC000298151487 553391045 /nfs/dbraw/zinc/39/10/45/553391045.db2.gz AYGIODRVXMBGGI-UHFFFAOYSA-N -1 1 358.442 2.339 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@@H](O)C3)cc2)cc1 ZINC000298537494 553437730 /nfs/dbraw/zinc/43/77/30/553437730.db2.gz WEQFHKJNZQJAMP-IYBDPMFKSA-N -1 1 360.435 2.049 20 0 FEADMM CCCCOCCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000298665713 553456415 /nfs/dbraw/zinc/45/64/15/553456415.db2.gz RDMOTXAGJFTBLD-UHFFFAOYSA-N -1 1 373.475 2.395 20 0 FEADMM Cc1onc(-c2ccccc2C)c1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299148701 553521725 /nfs/dbraw/zinc/52/17/25/553521725.db2.gz YMLHLVNDTJJZRZ-ZDUSSCGKSA-N -1 1 367.409 2.390 20 0 FEADMM CCCN1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1=O ZINC000302754071 553731217 /nfs/dbraw/zinc/73/12/17/553731217.db2.gz IBYNZMUPLQXWKO-UHFFFAOYSA-N -1 1 355.442 2.310 20 0 FEADMM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2s1 ZINC000320222127 553764791 /nfs/dbraw/zinc/76/47/91/553764791.db2.gz VKZJZIIZCZZATM-UHFFFAOYSA-N -1 1 351.409 2.442 20 0 FEADMM Cc1nc(CNS(=O)(=O)c2c(F)cc(F)cc2F)sc1C(=O)[O-] ZINC000320724007 553765628 /nfs/dbraw/zinc/76/56/28/553765628.db2.gz SVGSCKGGMCILND-UHFFFAOYSA-N -1 1 366.342 2.046 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c1 ZINC000324712968 553773484 /nfs/dbraw/zinc/77/34/84/553773484.db2.gz BLKNYKVWMHXSHQ-UHFFFAOYSA-N -1 1 367.448 2.484 20 0 FEADMM CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C ZINC000324848420 553774050 /nfs/dbraw/zinc/77/40/50/553774050.db2.gz SWQUXJPTDNHRBR-UHFFFAOYSA-N -1 1 368.436 2.224 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1ccc(C)c(F)c1 ZINC000325697995 553777827 /nfs/dbraw/zinc/77/78/27/553777827.db2.gz OZCHZBKPQAYBOO-SNVBAGLBSA-N -1 1 355.391 2.073 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000325804208 553777872 /nfs/dbraw/zinc/77/78/72/553777872.db2.gz FTIDPRMZGKLXMA-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1)c2=O ZINC000505710915 561678238 /nfs/dbraw/zinc/67/82/38/561678238.db2.gz OTMZPHUCLRGRBN-OAHLLOKOSA-N -1 1 372.347 2.246 20 0 FEADMM CC1(C)OCC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000328370942 553794105 /nfs/dbraw/zinc/79/41/05/553794105.db2.gz INGYTTSDUPWSEF-LLVKDONJSA-N -1 1 361.179 2.294 20 0 FEADMM CC[C@H]1C[C@]1(NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(C)c1 ZINC000506176923 561692518 /nfs/dbraw/zinc/69/25/18/561692518.db2.gz POKLBOBQBJJZDA-VBKZILBWSA-N -1 1 353.422 2.267 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000506583265 561702618 /nfs/dbraw/zinc/70/26/18/561702618.db2.gz AQLWRFKDXIVLEE-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM COc1ccc(NC(=O)NCCOC2CCCC2)cc1[N-]S(C)(=O)=O ZINC000530624226 562418181 /nfs/dbraw/zinc/41/81/81/562418181.db2.gz GDKHDZQTAPBZBC-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)[C@@H]2CCCOC2)ccc1[N-]S(C)(=O)=O ZINC000506619969 561703938 /nfs/dbraw/zinc/70/39/38/561703938.db2.gz FWVUZGSXTFMVMC-VXGBXAGGSA-N -1 1 371.459 2.003 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC2(N3CCOCC3)CCCCC2)sc1C ZINC000329896623 554027049 /nfs/dbraw/zinc/02/70/49/554027049.db2.gz CNUZANLFLSOJQJ-UHFFFAOYSA-N -1 1 373.544 2.073 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000507555644 561732858 /nfs/dbraw/zinc/73/28/58/561732858.db2.gz XSLWRKAZNPOPNP-UHFFFAOYSA-N -1 1 352.387 2.003 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OCCCO)cc3)cc2o1 ZINC000507635969 561736189 /nfs/dbraw/zinc/73/61/89/561736189.db2.gz MTRBJHAMWULFBZ-UHFFFAOYSA-N -1 1 364.379 2.095 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)c1 ZINC000507896959 561745238 /nfs/dbraw/zinc/74/52/38/561745238.db2.gz YFLSOUIOGNFGEZ-UHFFFAOYSA-N -1 1 365.407 2.307 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000330537255 554134874 /nfs/dbraw/zinc/13/48/74/554134874.db2.gz XIMIJZMRZCRHFT-NSHDSACASA-N -1 1 364.464 2.008 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC1CC(c2cccc(Cl)c2)C1 ZINC000508290543 561757786 /nfs/dbraw/zinc/75/77/86/561757786.db2.gz WJORDTNQWRYCGK-UHFFFAOYSA-N -1 1 359.813 2.233 20 0 FEADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000509086194 561784180 /nfs/dbraw/zinc/78/41/80/561784180.db2.gz WZGJQLJSOOJGOX-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)C[C@H]3C)c2)c1 ZINC000331696329 554310154 /nfs/dbraw/zinc/31/01/54/554310154.db2.gz VQVNCODNQRHEOU-RHSMWYFYSA-N -1 1 374.462 2.391 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)c(Cl)c1 ZINC000509219392 561790863 /nfs/dbraw/zinc/79/08/63/561790863.db2.gz SOCVDSTUXBWZPV-UHFFFAOYSA-N -1 1 368.798 2.229 20 0 FEADMM CCO[C@H](C)c1nc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cs1 ZINC000331760102 554321668 /nfs/dbraw/zinc/32/16/68/554321668.db2.gz DMWGKNHSWJFICY-GHMZBOCLSA-N -1 1 366.443 2.278 20 0 FEADMM CCC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509435791 561799853 /nfs/dbraw/zinc/79/98/53/561799853.db2.gz IVKOIGDIDQTOHC-VIFPVBQESA-N -1 1 370.254 2.219 20 0 FEADMM CSC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000331974292 554355900 /nfs/dbraw/zinc/35/59/00/554355900.db2.gz MFNIQDHBTNFIKI-UHFFFAOYSA-N -1 1 360.501 2.372 20 0 FEADMM CCn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(F)ccc2F)cn1 ZINC000332049187 554369889 /nfs/dbraw/zinc/36/98/89/554369889.db2.gz MHZJTKRWKFXRMS-GOEBONIOSA-N -1 1 371.409 2.380 20 0 FEADMM CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509627711 561807851 /nfs/dbraw/zinc/80/78/51/561807851.db2.gz BEWQBBGALZJRNN-UHFFFAOYSA-N -1 1 369.370 2.489 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000509933264 561819161 /nfs/dbraw/zinc/81/91/61/561819161.db2.gz DWADSKRSEWVTEU-MRXNPFEDSA-N -1 1 351.406 2.196 20 0 FEADMM CCCCOc1ccc(OC)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000510189926 561827701 /nfs/dbraw/zinc/82/77/01/561827701.db2.gz BKYBNQKQZBYUCZ-UHFFFAOYSA-N -1 1 373.409 2.343 20 0 FEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cnn3c2OCCC3)on1 ZINC000333106288 554573206 /nfs/dbraw/zinc/57/32/06/554573206.db2.gz DDOWXWSVGKGAJP-UHFFFAOYSA-N -1 1 354.432 2.036 20 0 FEADMM CC(C)(C)N=c1[n-]nc([C@@H]2OCC[C@@H]2Cn2cccn2)n1C[C@H]1CCOC1 ZINC000612173336 554745440 /nfs/dbraw/zinc/74/54/40/554745440.db2.gz WWAHKFBJJHADLV-BZUAXINKSA-N -1 1 374.489 2.499 20 0 FEADMM Nc1nc(C2CC2)ncc1-c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000350267945 554774643 /nfs/dbraw/zinc/77/46/43/554774643.db2.gz DYJNYZITJJCCTC-UHFFFAOYSA-N -1 1 373.376 2.607 20 0 FEADMM COc1ccccc1Cc1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000350458822 554790431 /nfs/dbraw/zinc/79/04/31/554790431.db2.gz VWQGDWIMDVVZLK-UHFFFAOYSA-N -1 1 365.436 2.209 20 0 FEADMM O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350821472 554816024 /nfs/dbraw/zinc/81/60/24/554816024.db2.gz UVFJXNPFRJSKRD-UHFFFAOYSA-N -1 1 353.309 2.420 20 0 FEADMM COc1cnccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000350946458 554824555 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Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H]1OCCc2ccsc21 ZINC000363412100 555099216 /nfs/dbraw/zinc/09/92/16/555099216.db2.gz VZWHZWXWSFWCRC-CQSZACIVSA-N -1 1 372.450 2.434 20 0 FEADMM C[C@@H](C(=O)NCC(F)(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363511015 555124186 /nfs/dbraw/zinc/12/41/86/555124186.db2.gz RIYFONNUMVEHFO-NSHDSACASA-N -1 1 358.360 2.354 20 0 FEADMM COc1ccc(C[C@H](C)CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000511999530 561888649 /nfs/dbraw/zinc/88/86/49/561888649.db2.gz BCBZWFQJAFEXQH-LBPRGKRZSA-N -1 1 354.410 2.291 20 0 FEADMM COc1cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)ccc1N ZINC000363749023 555178376 /nfs/dbraw/zinc/17/83/76/555178376.db2.gz JHPVZQNNEDFGLE-UHFFFAOYSA-N -1 1 365.393 2.325 20 0 FEADMM Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000363873979 555204309 /nfs/dbraw/zinc/20/43/09/555204309.db2.gz FXUBPTGWFYZUNQ-INIZCTEOSA-N -1 1 371.441 2.097 20 0 FEADMM C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000512197255 561895695 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CO[C@@H]1[C@@H](C)[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000364984917 555457023 /nfs/dbraw/zinc/45/70/23/555457023.db2.gz UZTDAYSUCZBVTC-COLVAYQJSA-N -1 1 365.499 2.465 20 0 FEADMM CC(=O)N[C@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCc2ccccc21 ZINC000365119824 555490018 /nfs/dbraw/zinc/49/00/18/555490018.db2.gz VUWXKVBBJBSGOZ-OAHLLOKOSA-N -1 1 367.331 2.130 20 0 FEADMM CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1nccs1 ZINC000365399937 555565350 /nfs/dbraw/zinc/56/53/50/555565350.db2.gz WFMMJXFPHVXFKG-CQSZACIVSA-N -1 1 369.450 2.407 20 0 FEADMM C[C@@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@@H](c2ccsc2)O1 ZINC000365758786 555661544 /nfs/dbraw/zinc/66/15/44/555661544.db2.gz FVJSHTKFEAAANE-NPFZXJDYSA-N -1 1 357.439 2.397 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)cc1 ZINC000365828657 555677254 /nfs/dbraw/zinc/67/72/54/555677254.db2.gz GWFAIXXXSKMHPX-UHFFFAOYSA-N -1 1 361.375 2.239 20 0 FEADMM Nc1nccnc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000513529449 561942050 /nfs/dbraw/zinc/94/20/50/561942050.db2.gz XCQOMQBTKWDMFZ-UHFFFAOYSA-N -1 1 369.406 2.112 20 0 FEADMM C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1csc(=O)[nH]1 ZINC000366202768 555780520 /nfs/dbraw/zinc/78/05/20/555780520.db2.gz LOWWSXYTODOVTN-XJKSGUPXSA-N -1 1 361.467 2.210 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000513846459 561952349 /nfs/dbraw/zinc/95/23/49/561952349.db2.gz OUCRWAHJZRIGPM-SNVBAGLBSA-N -1 1 373.814 2.465 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](OC)c2ccc(Cl)cc2)c1 ZINC000513846423 561952385 /nfs/dbraw/zinc/95/23/85/561952385.db2.gz OAEPWIOFXMMHDP-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000513849991 561952599 /nfs/dbraw/zinc/95/25/99/561952599.db2.gz KTOPROZZYOIROY-USBNGQNGSA-N -1 1 365.407 2.298 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@H]3CC[C@@H](C)C3)CC2)n1 ZINC000366375016 555826313 /nfs/dbraw/zinc/82/63/13/555826313.db2.gz FFKIOQCYZFKSJZ-OLZOCXBDSA-N -1 1 363.462 2.307 20 0 FEADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1OCCc2sccc21 ZINC000366483035 555856584 /nfs/dbraw/zinc/85/65/84/555856584.db2.gz YLODMGGFQOIUJH-BONVTDFDSA-N -1 1 355.419 2.417 20 0 FEADMM O=C(Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1)c1csc(=NC2CC2)[n-]1 ZINC000620124038 555896772 /nfs/dbraw/zinc/89/67/72/555896772.db2.gz ZYKNWWURRMGOOF-GFCCVEGCSA-N -1 1 371.422 2.240 20 0 FEADMM O=C(NC[C@@H]1[C@H]2COC[C@H]21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000367497072 556067063 /nfs/dbraw/zinc/06/70/63/556067063.db2.gz JTMHIRVXXDNRRT-NNZMDNLPSA-N -1 1 372.446 2.110 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@@H](C3CCC3)C2)c(=O)[n-]1 ZINC000368355868 556286398 /nfs/dbraw/zinc/28/63/98/556286398.db2.gz RXWXVGVUKDFURV-AWEZNQCLSA-N -1 1 365.499 2.420 20 0 FEADMM O=C(NCCCCO)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368472752 556320467 /nfs/dbraw/zinc/32/04/67/556320467.db2.gz AIUQCGABIZEJRW-QGZVFWFLSA-N -1 1 356.422 2.039 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1csc(-c2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000368518360 556333116 /nfs/dbraw/zinc/33/31/16/556333116.db2.gz INDXSQPBPVGKKO-JTQLQIEISA-N -1 1 360.418 2.267 20 0 FEADMM O=C(c1ccccn1)N1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000368772739 556409592 /nfs/dbraw/zinc/40/95/92/556409592.db2.gz OESWFOPXLKBCST-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM Cc1nc(SC(F)F)sc1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000369146520 556516377 /nfs/dbraw/zinc/51/63/77/556516377.db2.gz YZQCUYAQEZDZPC-MRVPVSSYSA-N -1 1 374.442 2.228 20 0 FEADMM COc1ccccc1-c1nc(=NC(=O)c2ccn(C3CCOCC3)n2)[n-][nH]1 ZINC000624529662 556600444 /nfs/dbraw/zinc/60/04/44/556600444.db2.gz FRUNPOOAFOLOTG-UHFFFAOYSA-N -1 1 368.397 2.281 20 0 FEADMM O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000369540495 556625730 /nfs/dbraw/zinc/62/57/30/556625730.db2.gz JJAUULABXYYDRV-FUHWJXTLSA-N -1 1 371.400 2.395 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2O)o1 ZINC000532267170 562472048 /nfs/dbraw/zinc/47/20/48/562472048.db2.gz GRNRYGYSKBHUEH-UHFFFAOYSA-N -1 1 356.375 2.453 20 0 FEADMM Cn1cc(-c2cc(F)ccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000370571224 556910782 /nfs/dbraw/zinc/91/07/82/556910782.db2.gz AZQVHVATDYSAAW-UHFFFAOYSA-N -1 1 364.358 2.053 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000516957766 562067446 /nfs/dbraw/zinc/06/74/46/562067446.db2.gz VMBGNFQGLUTLIB-NSHDSACASA-N -1 1 361.377 2.007 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000516957766 562067447 /nfs/dbraw/zinc/06/74/47/562067447.db2.gz VMBGNFQGLUTLIB-NSHDSACASA-N -1 1 361.377 2.007 20 0 FEADMM O=C(c1cncc([O-])c1)N(CCO)Cc1ccc(Br)s1 ZINC000516986031 562069542 /nfs/dbraw/zinc/06/95/42/562069542.db2.gz AMNQSMHGIPQDFN-UHFFFAOYSA-N -1 1 357.229 2.246 20 0 FEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370857677 556993254 /nfs/dbraw/zinc/99/32/54/556993254.db2.gz PJOBIJODCQVZMF-OPQQBVKSSA-N -1 1 368.224 2.210 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@]1(CO)CCCO1)c1cc2cc(F)ccc2o1 ZINC000517072122 562074776 /nfs/dbraw/zinc/07/47/76/562074776.db2.gz AAJHUIHSRFNLIW-IAGOWNOFSA-N -1 1 369.414 2.170 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)co1 ZINC000371052356 557059339 /nfs/dbraw/zinc/05/93/39/557059339.db2.gz CDVPVFFFTAMILT-LSDHHAIUSA-N -1 1 366.414 2.393 20 0 FEADMM CC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000517287077 562084203 /nfs/dbraw/zinc/08/42/03/562084203.db2.gz KRYWOCCAVMWTBH-ZDUSSCGKSA-N -1 1 366.480 2.300 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1C(N)=O ZINC000371512600 557206338 /nfs/dbraw/zinc/20/63/38/557206338.db2.gz VCUWFHXUTOKPFZ-UHFFFAOYSA-N -1 1 373.434 2.170 20 0 FEADMM NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000371520118 557208410 /nfs/dbraw/zinc/20/84/10/557208410.db2.gz QFYLMXKSAMBKSF-IBGZPJMESA-N -1 1 350.374 2.083 20 0 FEADMM CCC[N@H+]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)CC1 ZINC000371851673 557311258 /nfs/dbraw/zinc/31/12/58/557311258.db2.gz HIVDORMMHLTMCB-UHFFFAOYSA-N -1 1 354.472 2.108 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)CC1 ZINC000371851673 557311260 /nfs/dbraw/zinc/31/12/60/557311260.db2.gz HIVDORMMHLTMCB-UHFFFAOYSA-N -1 1 354.472 2.108 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2O[C@@H]1C ZINC000371978762 557345092 /nfs/dbraw/zinc/34/50/92/557345092.db2.gz JEJAYHUNARGMEL-KCJUWKMLSA-N -1 1 359.810 2.322 20 0 FEADMM COc1cc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC ZINC000518602837 562115066 /nfs/dbraw/zinc/11/50/66/562115066.db2.gz ONOKBFYXTAXKSR-UHFFFAOYSA-N -1 1 361.372 2.403 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1 ZINC000519119690 562125325 /nfs/dbraw/zinc/12/53/25/562125325.db2.gz HAZPZBMAMNGIEX-UHFFFAOYSA-N -1 1 358.423 2.257 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CC(=O)N(c4cnn(C)c4)C3)[nH][n-]2)s1 ZINC000628030931 557574292 /nfs/dbraw/zinc/57/42/92/557574292.db2.gz GULTZNLJBAHBEM-LLVKDONJSA-N -1 1 370.438 2.172 20 0 FEADMM Cc1cc(NC(=O)C(=O)N2CCN(C3CCCCC3)CC2)ccc1C(=O)[O-] ZINC000519698920 562140484 /nfs/dbraw/zinc/14/04/84/562140484.db2.gz XEPYYZWZBAUTLB-UHFFFAOYSA-N -1 1 373.453 2.109 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccnc(C)n3)cc2)co1 ZINC000372886623 557582423 /nfs/dbraw/zinc/58/24/23/557582423.db2.gz YARMVPQWDVPAIX-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000519741625 562141971 /nfs/dbraw/zinc/14/19/71/562141971.db2.gz CBENFFURRXZGQB-GOSISDBHSA-N -1 1 373.844 2.008 20 0 FEADMM CCC[C@H](CC)NC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000373106509 557630006 /nfs/dbraw/zinc/63/00/06/557630006.db2.gz JSFGTCRGNUEFKE-ZDUSSCGKSA-N -1 1 351.451 2.449 20 0 FEADMM Cn1[n-]c(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc1=O ZINC000519861108 562146999 /nfs/dbraw/zinc/14/69/99/562146999.db2.gz HBCWMKFWMCTFGU-CYBMUJFWSA-N -1 1 370.375 2.479 20 0 FEADMM O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000520239946 562151658 /nfs/dbraw/zinc/15/16/58/562151658.db2.gz CZYWSXFGNSVKDH-HOCLYGCPSA-N -1 1 373.409 2.353 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC([C@H]2CCOC2)C1 ZINC000373427953 557691551 /nfs/dbraw/zinc/69/15/51/557691551.db2.gz SBTUZLKSCGAUPW-VIFPVBQESA-N -1 1 373.190 2.105 20 0 FEADMM COc1cc(NC(=O)CC[C@H]2CCCCO2)ccc1[N-]S(C)(=O)=O ZINC000521114575 562169824 /nfs/dbraw/zinc/16/98/24/562169824.db2.gz DCDXXVSCJLBMKT-CYBMUJFWSA-N -1 1 356.444 2.355 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)[C@@H]3Cc4cc(Br)ccc4O3)ccnc1-2 ZINC000374684481 557916522 /nfs/dbraw/zinc/91/65/22/557916522.db2.gz FOINGWMVZKTFTH-GQFJFNLSSA-N -1 1 373.210 2.047 20 0 FEADMM CN(C)c1noc([C@@H]2CCCN(C(=O)c3c([O-])cnc4ccccc43)C2)n1 ZINC000374992930 557960884 /nfs/dbraw/zinc/96/08/84/557960884.db2.gz BXGSOKGTJONCSV-GFCCVEGCSA-N -1 1 367.409 2.409 20 0 FEADMM O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000375234127 557996205 /nfs/dbraw/zinc/99/62/05/557996205.db2.gz ORWSTJNCICUWOK-JTQLQIEISA-N -1 1 361.711 2.086 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375579402 558051857 /nfs/dbraw/zinc/05/18/57/558051857.db2.gz VIZAZCNTTULCPY-SMDDNHRTSA-N -1 1 372.874 2.061 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@H]1[C@H]1CCCO1 ZINC000376221324 558143696 /nfs/dbraw/zinc/14/36/96/558143696.db2.gz UGXBHJJVWYETBU-GXTWGEPZSA-N -1 1 356.216 2.175 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000376323543 558157804 /nfs/dbraw/zinc/15/78/04/558157804.db2.gz QLRZNCPUSKTTDA-UFBFGSQYSA-N -1 1 359.810 2.322 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)o1 ZINC000376327988 558158567 /nfs/dbraw/zinc/15/85/67/558158567.db2.gz OIACQQXNXRLNGY-RMLUDKJBSA-N -1 1 355.343 2.006 20 0 FEADMM Cc1nc([C@@H]2CCCCCN2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)no1 ZINC000376630554 558200201 /nfs/dbraw/zinc/20/02/01/558200201.db2.gz RSIHHNJTFWFZSF-DTHVTWRFSA-N -1 1 355.402 2.182 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000377103093 558266764 /nfs/dbraw/zinc/26/67/64/558266764.db2.gz ZHUWKELRBPDOSL-JSGCOSHPSA-N -1 1 370.380 2.180 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)c1Cl ZINC000377301475 558309897 /nfs/dbraw/zinc/30/98/97/558309897.db2.gz RLAXDDNMFZMJLF-CHWSQXEVSA-N -1 1 355.847 2.272 20 0 FEADMM Cn1cnnc1-c1ccnc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000377565791 558365939 /nfs/dbraw/zinc/36/59/39/558365939.db2.gz RQVCYKRGLDHLEY-UHFFFAOYSA-N -1 1 363.830 2.472 20 0 FEADMM Cn1cc(-c2nnc3n2CCN(C(=O)c2ccc4ccccc4c2[O-])C3)cn1 ZINC000377791136 558420330 /nfs/dbraw/zinc/42/03/30/558420330.db2.gz XCSWUCYPPJSLHW-UHFFFAOYSA-N -1 1 374.404 2.193 20 0 FEADMM COc1ccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1 ZINC000377839016 558432453 /nfs/dbraw/zinc/43/24/53/558432453.db2.gz FKOLKXOSBSILFY-HZMBPMFUSA-N -1 1 351.428 2.346 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CC1(C)C ZINC000377989274 558458542 /nfs/dbraw/zinc/45/85/42/558458542.db2.gz KDDFOGGPKQTDJG-NSHDSACASA-N -1 1 356.216 2.426 20 0 FEADMM O=C(CCOc1ccc(F)c(Cl)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000522929873 562206152 /nfs/dbraw/zinc/20/61/52/562206152.db2.gz DGOYLQRYEIIMRP-UHFFFAOYSA-N -1 1 353.785 2.347 20 0 FEADMM O=C(CCc1cccc(Br)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000522932047 562206174 /nfs/dbraw/zinc/20/61/74/562206174.db2.gz KOPZGONMKVFZOC-UHFFFAOYSA-N -1 1 364.247 2.481 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@H](CNC(=O)c2cc(F)ccc2[O-])C1 ZINC000378199712 558501247 /nfs/dbraw/zinc/50/12/47/558501247.db2.gz JIPPITXYMDFHNA-OAHLLOKOSA-N -1 1 356.397 2.352 20 0 FEADMM CCc1cc(=O)[nH]c(-c2ccc(N3CCC[C@H](c4nc[nH]n4)C3)nc2)n1 ZINC000378216874 558504624 /nfs/dbraw/zinc/50/46/24/558504624.db2.gz HXMAJZBZKYMGPF-ZDUSSCGKSA-N -1 1 351.414 2.309 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nnc(C)n1CC)c1nc(C)cs1 ZINC000523226417 562209954 /nfs/dbraw/zinc/20/99/54/562209954.db2.gz HFAJNBWGWLYPHJ-LBPRGKRZSA-N -1 1 368.484 2.379 20 0 FEADMM O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000378522526 558574332 /nfs/dbraw/zinc/57/43/32/558574332.db2.gz SLEQNTPXKJKIPB-HNNXBMFYSA-N -1 1 356.422 2.476 20 0 FEADMM COCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000379595833 558601519 /nfs/dbraw/zinc/60/15/19/558601519.db2.gz LKIMMZJQFOGNJK-MRVPVSSYSA-N -1 1 362.662 2.323 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)Cc1cccc(O)c1 ZINC000523782044 562219735 /nfs/dbraw/zinc/21/97/35/562219735.db2.gz YHZFNFOPUSKRFO-UHFFFAOYSA-N -1 1 354.410 2.349 20 0 FEADMM CO[C@H](CNC(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000393471666 558621052 /nfs/dbraw/zinc/62/10/52/558621052.db2.gz NJTLNFXXEIVZJH-GFCCVEGCSA-N -1 1 361.179 2.152 20 0 FEADMM COc1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc(Cl)c1[O-] ZINC000408376013 558672129 /nfs/dbraw/zinc/67/21/29/558672129.db2.gz VQTISHMZAQKUHG-GFCCVEGCSA-N -1 1 368.861 2.380 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccnc(SCC(F)(F)F)c1 ZINC000524577724 562230676 /nfs/dbraw/zinc/23/06/76/562230676.db2.gz VDALIRQWZZUEAH-UHFFFAOYSA-N -1 1 372.376 2.448 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000410284889 558749841 /nfs/dbraw/zinc/74/98/41/558749841.db2.gz KDQARQACJVVHTQ-UHFFFAOYSA-N -1 1 360.723 3.002 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1 ZINC000410416108 558756389 /nfs/dbraw/zinc/75/63/89/558756389.db2.gz GIYVZJWPGIGNSK-UHFFFAOYSA-N -1 1 373.434 2.207 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1F ZINC000410416964 558756453 /nfs/dbraw/zinc/75/64/53/558756453.db2.gz IUHAITLKTHUCTM-UHFFFAOYSA-N -1 1 350.371 2.372 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1OC ZINC000410422789 558756773 /nfs/dbraw/zinc/75/67/73/558756773.db2.gz ZGDCLVALJFEECM-UHFFFAOYSA-N -1 1 362.407 2.241 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC(C)(C)OCC2CC2)c(=O)[n-]1 ZINC000412622492 559047012 /nfs/dbraw/zinc/04/70/12/559047012.db2.gz REYBOGLQERFSKQ-UHFFFAOYSA-N -1 1 353.488 2.467 20 0 FEADMM CC(C)(CCNC(=O)c1cc(Br)ccc1[O-])S(C)(=O)=O ZINC000412662812 559049356 /nfs/dbraw/zinc/04/93/56/559049356.db2.gz XVIDHOWGMYGDEV-UHFFFAOYSA-N -1 1 364.261 2.098 20 0 FEADMM O=C(C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2)c1ccc([O-])cc1 ZINC000412671548 559049881 /nfs/dbraw/zinc/04/98/81/559049881.db2.gz LDMSZNILRIOOEL-FQEVSTJZSA-N -1 1 351.358 2.211 20 0 FEADMM COC(=O)[C@@H]1CSCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000412945892 559066246 /nfs/dbraw/zinc/06/62/46/559066246.db2.gz AXPOZUJQOOSAME-VIFPVBQESA-N -1 1 363.357 2.389 20 0 FEADMM COC(=O)[C@@H]1CSCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000412959153 559067297 /nfs/dbraw/zinc/06/72/97/559067297.db2.gz XVNICBFDWISRRZ-VIFPVBQESA-N -1 1 374.256 2.133 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2ccc(OCC)c(OCC)c2)[n-]n1 ZINC000413026005 559070897 /nfs/dbraw/zinc/07/08/97/559070897.db2.gz SXOXXOUKHOUCTI-UHFFFAOYSA-N -1 1 358.442 2.678 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3CC3(C)C)c2)n1 ZINC000413669694 559123944 /nfs/dbraw/zinc/12/39/44/559123944.db2.gz VAJQEHZNFXSYMD-ZDUSSCGKSA-N -1 1 357.414 2.246 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2[nH]nc(C)c2Br)s1 ZINC000414469889 559166974 /nfs/dbraw/zinc/16/69/74/559166974.db2.gz KGFIEMWGAUDVIL-UHFFFAOYSA-N -1 1 351.251 2.355 20 0 FEADMM CCOC(=O)c1c[nH]c(NC(=O)COc2ccc(CCC(C)=O)cc2)n1 ZINC000415636863 559257213 /nfs/dbraw/zinc/25/72/13/559257213.db2.gz LRQUMHIXRSWEKS-UHFFFAOYSA-N -1 1 359.382 2.126 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)COc2ccc(CCC(C)=O)cc2)n1 ZINC000415636863 559257214 /nfs/dbraw/zinc/25/72/14/559257214.db2.gz LRQUMHIXRSWEKS-UHFFFAOYSA-N -1 1 359.382 2.126 20 0 FEADMM C[C@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)[C@H](C)S(C)(=O)=O ZINC000416180733 559296700 /nfs/dbraw/zinc/29/67/00/559296700.db2.gz QBSNOOIVMQWDHX-YUMQZZPRSA-N -1 1 361.876 2.799 20 0 FEADMM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c1 ZINC000416204096 559298070 /nfs/dbraw/zinc/29/80/70/559298070.db2.gz NGYZSVLYGCGAIC-ZWNOBZJWSA-N -1 1 359.382 2.128 20 0 FEADMM COCCn1cc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cn1 ZINC000417568059 559367177 /nfs/dbraw/zinc/36/71/77/559367177.db2.gz SWUVSKAEHQUMPN-GOSISDBHSA-N -1 1 369.425 2.021 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1ccc(C)c(C)c1 ZINC000420689181 559498226 /nfs/dbraw/zinc/49/82/26/559498226.db2.gz MOVUPPFKZPSXKI-IAGOWNOFSA-N -1 1 371.499 2.498 20 0 FEADMM CC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000420751605 559502322 /nfs/dbraw/zinc/50/23/22/559502322.db2.gz WSDNJABDWRQSMF-ZCFIWIBFSA-N -1 1 360.632 2.291 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(OC)c(C(=O)OC)cc1Cl)OC ZINC000421158766 559527526 /nfs/dbraw/zinc/52/75/26/559527526.db2.gz VHTXPLPUBIIBRN-VIFPVBQESA-N -1 1 365.835 2.302 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)F)cc1)OC ZINC000421159815 559527675 /nfs/dbraw/zinc/52/76/75/559527675.db2.gz XEZWLTMDKYKAIL-GFCCVEGCSA-N -1 1 368.377 2.145 20 0 FEADMM COCc1cc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cc(C(=O)OC)c1 ZINC000421167451 559528207 /nfs/dbraw/zinc/52/82/07/559528207.db2.gz UIHLMHPNNMFCOB-MRXNPFEDSA-N -1 1 373.471 2.422 20 0 FEADMM CC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000422121701 559566430 /nfs/dbraw/zinc/56/64/30/559566430.db2.gz HACLWTOJRPIPNV-MRXNPFEDSA-N -1 1 362.451 2.297 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000424593340 559670552 /nfs/dbraw/zinc/67/05/52/559670552.db2.gz DBWBOWSEEDUYOU-GOEBONIOSA-N -1 1 366.483 2.223 20 0 FEADMM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1OC ZINC000424617625 559671317 /nfs/dbraw/zinc/67/13/17/559671317.db2.gz IJUUDPYJHGQINV-CQSZACIVSA-N -1 1 353.806 2.396 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000424760353 559675810 /nfs/dbraw/zinc/67/58/10/559675810.db2.gz WTXMYMCHOVIWLV-STTRJGPESA-N -1 1 372.490 2.364 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCNC(=O)CC2CCCC2)c(F)c1 ZINC000425213488 559691640 /nfs/dbraw/zinc/69/16/40/559691640.db2.gz CFMDJCJBGOOPCE-UHFFFAOYSA-N -1 1 360.426 2.248 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@@H]2C)c(F)c1 ZINC000425223125 559692250 /nfs/dbraw/zinc/69/22/50/559692250.db2.gz YPUSKDNZZLISRT-RYUDHWBXSA-N -1 1 360.426 2.341 20 0 FEADMM Cc1cc(-c2nc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)co2)ccn1 ZINC000425299978 559695465 /nfs/dbraw/zinc/69/54/65/559695465.db2.gz KSGSFSXMLKNXNI-LBPRGKRZSA-N -1 1 355.354 2.153 20 0 FEADMM CCN(CC)C(=O)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000425318498 559696394 /nfs/dbraw/zinc/69/63/94/559696394.db2.gz IKIAKYXRPHSPLH-UHFFFAOYSA-N -1 1 372.425 2.277 20 0 FEADMM COc1ccc2c(c1)OC[C@H]2CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425322239 559696670 /nfs/dbraw/zinc/69/66/70/559696670.db2.gz NQTVTAFSJBASKI-GFCCVEGCSA-N -1 1 359.382 2.056 20 0 FEADMM O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425325199 559696805 /nfs/dbraw/zinc/69/68/05/559696805.db2.gz RGYFIMDKZXHUDZ-UHFFFAOYSA-N -1 1 358.329 2.188 20 0 FEADMM COc1ccc(COCCCNC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000425918877 559725223 /nfs/dbraw/zinc/72/52/23/559725223.db2.gz AADGXFHAPWZYPW-UHFFFAOYSA-N -1 1 361.467 3.063 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N=c1cc(C2CC2)n(C)[nH]1 ZINC000426747374 559741344 /nfs/dbraw/zinc/74/13/44/559741344.db2.gz OTCLSNQKWLJTBE-UHFFFAOYSA-N -1 1 362.455 2.702 20 0 FEADMM O=C(NCCCc1ccc2c(c1)OCCO2)c1csc(=NC2CC2)[n-]1 ZINC000426800828 559742204 /nfs/dbraw/zinc/74/22/04/559742204.db2.gz PHDJZSMHMIJEQZ-UHFFFAOYSA-N -1 1 359.451 2.851 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(COC2CCOCC2)c1)c1nn[n-]n1 ZINC000426875989 559743559 /nfs/dbraw/zinc/74/35/59/559743559.db2.gz QCAILZLWGXUKEV-MRXNPFEDSA-N -1 1 359.430 2.167 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cnc1C ZINC000427114330 559748052 /nfs/dbraw/zinc/74/80/52/559748052.db2.gz OMPLWGYWQIPOBH-UHFFFAOYSA-N -1 1 360.313 2.395 20 0 FEADMM Cc1cnc(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)c([O-])c1 ZINC000427164179 559749453 /nfs/dbraw/zinc/74/94/53/559749453.db2.gz VDCHFODVAVONAI-UHFFFAOYSA-N -1 1 352.293 2.356 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(OC)cc2O)CCCCC1 ZINC000427314125 559752988 /nfs/dbraw/zinc/75/29/88/559752988.db2.gz IDGHXTOYXCCPMQ-UHFFFAOYSA-N -1 1 357.428 2.266 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)Cc1cccc(O)c1 ZINC000427647917 559759678 /nfs/dbraw/zinc/75/96/78/559759678.db2.gz XKZXIUJVSGNCLL-NSHDSACASA-N -1 1 354.410 2.047 20 0 FEADMM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000427918728 559765304 /nfs/dbraw/zinc/76/53/04/559765304.db2.gz TVMUETCDQBSYQV-AWEZNQCLSA-N -1 1 354.410 2.087 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCNc2ccccc2C)c1 ZINC000427918843 559765322 /nfs/dbraw/zinc/76/53/22/559765322.db2.gz ZPZKMCVXFXJLNC-UHFFFAOYSA-N -1 1 363.439 2.049 20 0 FEADMM COc1cc(NC(=O)NC[C@H]2CCC(C)(C)O2)ccc1[N-]S(C)(=O)=O ZINC000429422578 559798398 /nfs/dbraw/zinc/79/83/98/559798398.db2.gz HLDMFIPYDBKERC-GFCCVEGCSA-N -1 1 371.459 2.146 20 0 FEADMM CC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429815690 559806095 /nfs/dbraw/zinc/80/60/95/559806095.db2.gz UVYHYOTVKMEGMQ-UHFFFAOYSA-N -1 1 355.685 2.333 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccccc1Br)c1ncccc1[O-] ZINC000430144956 559814060 /nfs/dbraw/zinc/81/40/60/559814060.db2.gz BGBBIDVEDUEEFA-NSHDSACASA-N -1 1 365.227 2.131 20 0 FEADMM CCn1nc(C)c([N-]S(=O)(=O)C[C@H](C(=O)OC)c2ccccc2)c1C ZINC000430978500 559831841 /nfs/dbraw/zinc/83/18/41/559831841.db2.gz PEULRNMEURTGSG-HNNXBMFYSA-N -1 1 365.455 2.218 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1)c1cc(F)c(F)cc1F ZINC000431086411 559833774 /nfs/dbraw/zinc/83/37/74/559833774.db2.gz QRHVDBRFQAJCGQ-LBPRGKRZSA-N -1 1 359.369 2.233 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431153298 559835091 /nfs/dbraw/zinc/83/50/91/559835091.db2.gz YHVIISIZFYXPMJ-UHFFFAOYSA-N -1 1 367.402 2.306 20 0 FEADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431180088 559835356 /nfs/dbraw/zinc/83/53/56/559835356.db2.gz GHVHAFDGVSRDIK-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC000431332909 559837778 /nfs/dbraw/zinc/83/77/78/559837778.db2.gz LXEPYJREMZJVRD-UHFFFAOYSA-N -1 1 350.396 2.133 20 0 FEADMM Cc1cn2ccnc(C(=O)N=c3cc(-c4cccc(F)c4F)[n-][nH]3)c2n1 ZINC000432685457 559863059 /nfs/dbraw/zinc/86/30/59/559863059.db2.gz GDCXNBPEWCNPDW-UHFFFAOYSA-N -1 1 354.320 2.958 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCOCC(F)(F)C(F)F)cnc2n1 ZINC000434493612 559901532 /nfs/dbraw/zinc/90/15/32/559901532.db2.gz AQWZNHXFJHZIGJ-UHFFFAOYSA-N -1 1 361.295 2.291 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCOCC(F)(F)C(F)F)c2=O ZINC000434493612 559901533 /nfs/dbraw/zinc/90/15/33/559901533.db2.gz AQWZNHXFJHZIGJ-UHFFFAOYSA-N -1 1 361.295 2.291 20 0 FEADMM O=c1c2sccc2nc(SCc2nn[n-]n2)n1Cc1ccccc1 ZINC000435194241 559917851 /nfs/dbraw/zinc/91/78/51/559917851.db2.gz QUDVDDXCVUJSTB-UHFFFAOYSA-N -1 1 356.436 2.312 20 0 FEADMM COc1ccc(-c2nnc(SCc3nn[n-]n3)n2Cc2ccco2)cc1 ZINC000435196071 559917860 /nfs/dbraw/zinc/91/78/60/559917860.db2.gz BMZPDYGDRWXRAA-UHFFFAOYSA-N -1 1 369.410 2.400 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2ccccn2)o1 ZINC000435426299 559922669 /nfs/dbraw/zinc/92/26/69/559922669.db2.gz HJCWHNPQXDWIRU-UHFFFAOYSA-N -1 1 365.455 2.114 20 0 FEADMM Cc1ccc(NC(=O)c2nc[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000435933715 559932596 /nfs/dbraw/zinc/93/25/96/559932596.db2.gz FCYYMSRVUMOTEQ-UHFFFAOYSA-N -1 1 357.395 2.166 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000436197040 559937260 /nfs/dbraw/zinc/93/72/60/559937260.db2.gz XBPVCBVADJRVHM-UHFFFAOYSA-N -1 1 367.452 2.091 20 0 FEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436480953 559942896 /nfs/dbraw/zinc/94/28/96/559942896.db2.gz YPIMFUZEBGOFHF-UHFFFAOYSA-N -1 1 374.340 2.240 20 0 FEADMM O=C(N[C@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436511851 559943958 /nfs/dbraw/zinc/94/39/58/559943958.db2.gz JNLMRISRRQLDFA-YOEHRIQHSA-N -1 1 354.406 2.055 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCN2C(=O)CCc3ccccc32)c1 ZINC000436517185 559943997 /nfs/dbraw/zinc/94/39/97/559943997.db2.gz YNPXNJRRAORVAD-UHFFFAOYSA-N -1 1 368.389 2.487 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1cc(F)ccc1[O-] ZINC000436548882 559945035 /nfs/dbraw/zinc/94/50/35/559945035.db2.gz NUXOOVMUFUBYSY-QGZVFWFLSA-N -1 1 358.413 2.205 20 0 FEADMM COC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C(=O)OC ZINC000436594403 559946105 /nfs/dbraw/zinc/94/61/05/559946105.db2.gz FBUDTJXFQKCQBR-RHSMWYFYSA-N -1 1 371.389 2.112 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N(CCC(F)(F)F)C[C@H](O)CO ZINC000436605938 559946360 /nfs/dbraw/zinc/94/63/60/559946360.db2.gz GSQOOWZSPKIPRD-ZDUSSCGKSA-N -1 1 357.328 2.293 20 0 FEADMM O=C(N[C@@H](CCO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000436614425 559946728 /nfs/dbraw/zinc/94/67/28/559946728.db2.gz XJSMLNGWMCOFKS-ZDUSSCGKSA-N -1 1 358.232 2.062 20 0 FEADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436618680 559946924 /nfs/dbraw/zinc/94/69/24/559946924.db2.gz OOCJZAFPTAXJHE-UHFFFAOYSA-N -1 1 350.396 2.038 20 0 FEADMM O=C(Nc1ccccc1OCCn1ccnc1)C(=O)c1ccc([O-])cc1 ZINC000436684162 559948871 /nfs/dbraw/zinc/94/88/71/559948871.db2.gz YCQNHFCWSYYEQE-UHFFFAOYSA-N -1 1 351.362 2.489 20 0 FEADMM O=C(Nc1cc(F)c(N2CCOCC2)cc1F)C(=O)c1ccc([O-])cc1 ZINC000436714911 559949714 /nfs/dbraw/zinc/94/97/14/559949714.db2.gz VNOQMIKWVJCCCM-UHFFFAOYSA-N -1 1 362.332 2.328 20 0 FEADMM NS(=O)(=O)Nc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436756135 559950893 /nfs/dbraw/zinc/95/08/93/559950893.db2.gz PKWRTPKJIDCMEQ-UHFFFAOYSA-N -1 1 357.391 2.413 20 0 FEADMM NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436778882 559951728 /nfs/dbraw/zinc/95/17/28/559951728.db2.gz UMPSWYVPVAOTKT-CYBMUJFWSA-N -1 1 352.312 2.237 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)c([O-])c1 ZINC000436915266 559956170 /nfs/dbraw/zinc/95/61/70/559956170.db2.gz PPYUEGIQIMYTNX-UHFFFAOYSA-N -1 1 355.350 2.018 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000436918865 559956386 /nfs/dbraw/zinc/95/63/86/559956386.db2.gz JFCNAWYBBJUXBH-CQSZACIVSA-N -1 1 374.824 2.455 20 0 FEADMM NC(=O)[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(Br)c1 ZINC000436967633 559957874 /nfs/dbraw/zinc/95/78/74/559957874.db2.gz XUSSZJUCGCTDFB-ZDUSSCGKSA-N -1 1 367.174 2.250 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n(-c2ccncc2)n1 ZINC000437329218 559963352 /nfs/dbraw/zinc/96/33/52/559963352.db2.gz UVFOLKKPXFEPPI-UHFFFAOYSA-N -1 1 356.407 2.311 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)[C@H](O)Cc3ccccc3)cnc2n1 ZINC000438357578 559977834 /nfs/dbraw/zinc/97/78/34/559977834.db2.gz LTENWIQKHBGYFR-CXAGYDPISA-N -1 1 351.406 2.366 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)[C@H](O)Cc1ccccc1)c2=O ZINC000438357578 559977835 /nfs/dbraw/zinc/97/78/35/559977835.db2.gz LTENWIQKHBGYFR-CXAGYDPISA-N -1 1 351.406 2.366 20 0 FEADMM COc1cc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)ccc1[N-]S(C)(=O)=O ZINC000438969610 559986527 /nfs/dbraw/zinc/98/65/27/559986527.db2.gz SJUHGMFXLPYTRF-YPMHNXCESA-N -1 1 356.444 2.353 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCO1 ZINC000439419547 559993563 /nfs/dbraw/zinc/99/35/63/559993563.db2.gz FOIZNVAEGVOIJM-CYBMUJFWSA-N -1 1 371.459 2.100 20 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COc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn(C)c3=O)cc1F ZINC000443528835 560086558 /nfs/dbraw/zinc/08/65/58/560086558.db2.gz KHWRLPQWANVOCI-UHFFFAOYSA-N -1 1 362.382 2.487 20 0 FEADMM Cc1cc(C(=O)NC(C)(C)c2nn[n-]n2)nc(-c2ccc(Cl)cc2)n1 ZINC000443808733 560093678 /nfs/dbraw/zinc/09/36/78/560093678.db2.gz ZQCHTOSWFUPRMM-UHFFFAOYSA-N -1 1 357.805 2.284 20 0 FEADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)Cc2ccccc2C)(C(=O)OC)C1(C)C ZINC000444275153 560107796 /nfs/dbraw/zinc/10/77/96/560107796.db2.gz AXUGYURNBCPHOU-QAPCUYQASA-N -1 1 369.483 2.161 20 0 FEADMM NC(=O)c1c[nH]c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444355463 560111053 /nfs/dbraw/zinc/11/10/53/560111053.db2.gz ZVPMWZAVFQHMDD-UHFFFAOYSA-N -1 1 370.409 2.134 20 0 FEADMM Cn1cc(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cn1 ZINC000444368194 560112001 /nfs/dbraw/zinc/11/20/01/560112001.db2.gz RWQYZDSVKFVMRF-UHFFFAOYSA-N -1 1 370.409 2.010 20 0 FEADMM COC(=O)c1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(OC)c1 ZINC000444375107 560112265 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Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@H](CO)Cc1ccccc1)c2=O ZINC000447269486 560159176 /nfs/dbraw/zinc/15/91/76/560159176.db2.gz BNQFQZBREGDHOO-OAHLLOKOSA-N -1 1 351.406 2.225 20 0 FEADMM C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447490037 560163025 /nfs/dbraw/zinc/16/30/25/560163025.db2.gz LFTABKBTDMSRHC-LBPRGKRZSA-N -1 1 365.430 2.391 20 0 FEADMM C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447490037 560163026 /nfs/dbraw/zinc/16/30/26/560163026.db2.gz LFTABKBTDMSRHC-LBPRGKRZSA-N -1 1 365.430 2.391 20 0 FEADMM CC(C)S(=O)(=O)CCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447488686 560163112 /nfs/dbraw/zinc/16/31/12/560163112.db2.gz MOQBCTICOPHALT-UHFFFAOYSA-N -1 1 374.459 2.203 20 0 FEADMM CC(C)S(=O)(=O)CCCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447488686 560163113 /nfs/dbraw/zinc/16/31/13/560163113.db2.gz MOQBCTICOPHALT-UHFFFAOYSA-N -1 1 374.459 2.203 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](C)CSC)c2)n1 ZINC000447682557 560167027 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CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@@H](CO)C(C)C ZINC000451838341 560331713 /nfs/dbraw/zinc/33/17/13/560331713.db2.gz BTRQYSJUIJFJDE-CMPLNLGQSA-N -1 1 371.425 2.006 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)o1 ZINC000451960709 560340827 /nfs/dbraw/zinc/34/08/27/560340827.db2.gz QUMIDJPTLIDAHM-UHFFFAOYSA-N -1 1 358.441 2.262 20 0 FEADMM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000452028605 560346557 /nfs/dbraw/zinc/34/65/57/560346557.db2.gz CFBNZIPGWVITTF-CHWSQXEVSA-N -1 1 354.255 2.217 20 0 FEADMM CCC[C@H](O)CS(=O)(=O)c1nnc(-c2ccccc2Br)[n-]1 ZINC000453034187 560381810 /nfs/dbraw/zinc/38/18/10/560381810.db2.gz WHGXWHGOMQFHEP-VIFPVBQESA-N -1 1 374.260 2.169 20 0 FEADMM CCC[C@H](O)CS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000453034187 560381811 /nfs/dbraw/zinc/38/18/11/560381811.db2.gz WHGXWHGOMQFHEP-VIFPVBQESA-N -1 1 374.260 2.169 20 0 FEADMM CCC(C)(C)OCCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000454772982 560457677 /nfs/dbraw/zinc/45/76/77/560457677.db2.gz MAZXPZYSBXARGD-UHFFFAOYSA-N -1 1 373.475 2.393 20 0 FEADMM CC[C@@](C)(CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)OC ZINC000454777482 560457897 /nfs/dbraw/zinc/45/78/97/560457897.db2.gz PRQMYCWOGWBJQA-HNNXBMFYSA-N -1 1 359.448 2.003 20 0 FEADMM Cc1ccc(F)c(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000456315947 560515132 /nfs/dbraw/zinc/51/51/32/560515132.db2.gz YAORLTIYNPSCOH-UHFFFAOYSA-N -1 1 356.401 2.401 20 0 FEADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc([O-])c(F)c1F ZINC000456793456 560533091 /nfs/dbraw/zinc/53/30/91/560533091.db2.gz MCRKAOZVKSTUPF-NXEZZACHSA-N -1 1 352.337 2.174 20 0 FEADMM C[C@H](CC(F)(F)F)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000457685229 560581726 /nfs/dbraw/zinc/58/17/26/560581726.db2.gz DQFKSVADMXAWAP-MRVPVSSYSA-N -1 1 366.361 2.360 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3C[C@H]3C(C)C)c2)n1 ZINC000459261194 560676688 /nfs/dbraw/zinc/67/66/88/560676688.db2.gz WOTQFVPVRXQDBZ-LSDHHAIUSA-N -1 1 371.441 2.492 20 0 FEADMM [O-]c1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000459337000 560680489 /nfs/dbraw/zinc/68/04/89/560680489.db2.gz DVYQPYJERWDSEK-UHFFFAOYSA-N -1 1 355.276 2.451 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)c1 ZINC000460420511 560743526 /nfs/dbraw/zinc/74/35/26/560743526.db2.gz GMKGRXFDHBMROH-UHFFFAOYSA-N -1 1 369.468 2.226 20 0 FEADMM CC(C)(NC(=O)CCCOc1ccccc1Br)c1nn[n-]n1 ZINC000461627343 560777840 /nfs/dbraw/zinc/77/78/40/560777840.db2.gz ICGKZWBPQHGKNZ-UHFFFAOYSA-N -1 1 368.235 2.173 20 0 FEADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CC23CCC(CC2)C3)(C(=O)OC)C1(C)C ZINC000462083232 560796013 /nfs/dbraw/zinc/79/60/13/560796013.db2.gz ZWGUSYGZHVRIGI-BDBCUOGTSA-N -1 1 373.515 2.233 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C(=O)OC)cs2)o1 ZINC000462323456 560805866 /nfs/dbraw/zinc/80/58/66/560805866.db2.gz UMQYHSPLCRFYEX-LBPRGKRZSA-N -1 1 373.452 2.356 20 0 FEADMM COC[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000466832306 560896901 /nfs/dbraw/zinc/89/69/01/560896901.db2.gz PFCDTIGQPUMJBH-CYBMUJFWSA-N -1 1 372.487 2.245 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C1CC1 ZINC000466877473 560898270 /nfs/dbraw/zinc/89/82/70/560898270.db2.gz MSJSDUHIJRCTDW-GFCCVEGCSA-N -1 1 352.239 2.364 20 0 FEADMM CCC(CC)(C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000467873214 560919134 /nfs/dbraw/zinc/91/91/34/560919134.db2.gz GSBXEBZTKHDCFJ-UHFFFAOYSA-N -1 1 359.499 2.527 20 0 FEADMM C[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000468042453 560921539 /nfs/dbraw/zinc/92/15/39/560921539.db2.gz LNEIKWJUUFZWPX-HOCLYGCPSA-N -1 1 374.462 2.330 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)o1 ZINC000468367269 560928161 /nfs/dbraw/zinc/92/81/61/560928161.db2.gz HSJFKNHGTFJWNB-VIFPVBQESA-N -1 1 370.377 2.225 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccsc1 ZINC000468824459 560939633 /nfs/dbraw/zinc/93/96/33/560939633.db2.gz FKPJYUAMEUHOIG-CQSZACIVSA-N -1 1 353.421 2.143 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1C(=O)N(C)C ZINC000469987433 560970683 /nfs/dbraw/zinc/97/06/83/560970683.db2.gz PRYKNMFTUKXRDE-UHFFFAOYSA-N -1 1 366.443 2.044 20 0 FEADMM Cc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1NC(=O)c1ccccc1 ZINC000470965153 560995379 /nfs/dbraw/zinc/99/53/79/560995379.db2.gz BEMZKNDHSUCIPP-UHFFFAOYSA-N -1 1 362.393 2.180 20 0 FEADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470986231 560995981 /nfs/dbraw/zinc/99/59/81/560995981.db2.gz YMYDBUDAZGANOG-UHFFFAOYSA-N -1 1 362.752 2.375 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCSCc2ccccc2)c1 ZINC000472488660 561027740 /nfs/dbraw/zinc/02/77/40/561027740.db2.gz YNFABZNEPVMWMS-UHFFFAOYSA-N -1 1 366.464 2.302 20 0 FEADMM C[C@@H]1C[C@@H](O)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472998800 561039804 /nfs/dbraw/zinc/03/98/04/561039804.db2.gz ITXFEDBKZGLHRW-CZUORRHYSA-N -1 1 360.435 2.083 20 0 FEADMM CC[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccccc1OC(F)F ZINC000473278854 561046346 /nfs/dbraw/zinc/04/63/46/561046346.db2.gz ZCBPGOUDYUUPKC-SECBINFHSA-N -1 1 369.324 2.379 20 0 FEADMM Cc1cnc(C(=O)NCCCCn2cc(Br)cn2)c([O-])c1 ZINC000473301408 561047083 /nfs/dbraw/zinc/04/70/83/561047083.db2.gz BCBGEEDGQIOMMA-UHFFFAOYSA-N -1 1 353.220 2.265 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000474335868 561071617 /nfs/dbraw/zinc/07/16/17/561071617.db2.gz JDUCPZMFHHHORT-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000474347912 561071825 /nfs/dbraw/zinc/07/18/25/561071825.db2.gz GWGAXVNXYSXRQW-SNVBAGLBSA-N -1 1 370.438 2.284 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2oc(CC(C)C)nc2C)s1 ZINC000475952765 561108447 /nfs/dbraw/zinc/10/84/47/561108447.db2.gz BJTYWODGRMSVIV-UHFFFAOYSA-N -1 1 352.416 2.391 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](C)C(F)(F)F)s1 ZINC000476604235 561124044 /nfs/dbraw/zinc/12/40/44/561124044.db2.gz UHMYTHAAGSHXFZ-LURJTMIESA-N -1 1 361.363 2.020 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)nc2)[n-]c(=O)c1C ZINC000528215347 562318981 /nfs/dbraw/zinc/31/89/81/562318981.db2.gz BMJVSEOFRILYKO-CABCVRRESA-N -1 1 374.466 2.017 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000528469449 562330787 /nfs/dbraw/zinc/33/07/87/562330787.db2.gz HNJGCXZIBFFFTK-UHFFFAOYSA-N -1 1 352.441 2.389 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)c1nc2ccccc2s1 ZINC000528469449 562330788 /nfs/dbraw/zinc/33/07/88/562330788.db2.gz HNJGCXZIBFFFTK-UHFFFAOYSA-N -1 1 352.441 2.389 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000529021876 562357011 /nfs/dbraw/zinc/35/70/11/562357011.db2.gz PPAPNTBSMWLAKH-WFASDCNBSA-N -1 1 362.865 2.080 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2CCc3ccccc3CC2)co1 ZINC000529610768 562378815 /nfs/dbraw/zinc/37/88/15/562378815.db2.gz NRMLBNCRSYKOML-UHFFFAOYSA-N -1 1 362.451 2.113 20 0 FEADMM COc1cccc([C@@H]2CN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CC2(C)C)c1 ZINC000529727765 562383143 /nfs/dbraw/zinc/38/31/43/562383143.db2.gz KTDVODBTMOZOFA-ZDUSSCGKSA-N -1 1 373.409 2.171 20 0 FEADMM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc(I)c([O-])c1 ZINC000529793875 562385465 /nfs/dbraw/zinc/38/54/65/562385465.db2.gz JMCCMWLXAOCVFL-LKFCYVNXSA-N -1 1 373.190 2.294 20 0 FEADMM COc1cc(C(=O)N[C@]2(CO)COc3ccccc3C2)cc(Cl)c1[O-] ZINC000529821527 562386751 /nfs/dbraw/zinc/38/67/51/562386751.db2.gz IQSOCKBNTSUCHC-GOSISDBHSA-N -1 1 363.797 2.150 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC(Cc3ccco3)C2)o1 ZINC000529857050 562388918 /nfs/dbraw/zinc/38/89/18/562388918.db2.gz BGBLZZQBOGLJPP-UHFFFAOYSA-N -1 1 366.439 2.264 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530067863 562396848 /nfs/dbraw/zinc/39/68/48/562396848.db2.gz LVZRZYABBRBACU-QZXWKGOOSA-N -1 1 358.257 2.280 20 0 FEADMM COc1cccc([C@@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2(C)C)c1 ZINC000530166108 562401123 /nfs/dbraw/zinc/40/11/23/562401123.db2.gz XXZUELNIZGOYMR-SFHVURJKSA-N -1 1 374.481 2.444 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(OCC(C)C)c1 ZINC000530507318 562413850 /nfs/dbraw/zinc/41/38/50/562413850.db2.gz YUUMMKPKYXZREF-CYBMUJFWSA-N -1 1 359.430 2.263 20 0 FEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)c1nn[n-]n1)O[C@@H](C)C2 ZINC000530619799 562418064 /nfs/dbraw/zinc/41/80/64/562418064.db2.gz ACXDODOISDGRGN-VHRBIJSZSA-N -1 1 371.441 2.077 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1 ZINC000531199057 562437977 /nfs/dbraw/zinc/43/79/77/562437977.db2.gz OQVWZCNTJKCXFA-UHFFFAOYSA-N -1 1 359.407 2.090 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc(OC)c1 ZINC000531383935 562444217 /nfs/dbraw/zinc/44/42/17/562444217.db2.gz KZEUUGHFFCMGPK-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc2ccccc2o1 ZINC000532421165 562477414 /nfs/dbraw/zinc/47/74/14/562477414.db2.gz ZGLUDVWMQKYXHQ-CVEARBPZSA-N -1 1 364.467 2.355 20 0 FEADMM C/C=C\c1ccc(OCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(OC)c1 ZINC000533113653 562498865 /nfs/dbraw/zinc/49/88/65/562498865.db2.gz TVEWKAFSOOOQML-PKXJPQMGSA-N -1 1 357.414 2.026 20 0 FEADMM CCc1ccc(NS(=O)(=O)c2cc(C(=O)OC)oc2C)c(C(=O)[O-])c1 ZINC000533168639 562500172 /nfs/dbraw/zinc/50/01/72/562500172.db2.gz FRMQNNYFDPARAV-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000533169415 562500248 /nfs/dbraw/zinc/50/02/48/562500248.db2.gz LKPGOYIWOCNUGV-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000533201187 562501356 /nfs/dbraw/zinc/50/13/56/562501356.db2.gz LURILSPSABCNBD-YFKPBYRVSA-N -1 1 352.235 2.242 20 0 FEADMM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1ccc(Br)s1 ZINC000533802244 562518480 /nfs/dbraw/zinc/51/84/80/562518480.db2.gz OPWNAGGJQRHSJJ-YFKPBYRVSA-N -1 1 368.196 2.102 20 0 FEADMM CCC[C@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000534733531 562541465 /nfs/dbraw/zinc/54/14/65/562541465.db2.gz FFMHPWNTZDLOFW-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)s1 ZINC000534766268 562542063 /nfs/dbraw/zinc/54/20/63/562542063.db2.gz XBKLUZZWHJLLIJ-MRVPVSSYSA-N -1 1 368.440 2.204 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)cc2[nH]ncc21 ZINC000535031690 562548748 /nfs/dbraw/zinc/54/87/48/562548748.db2.gz BEIVXNJOJUIVBL-UHFFFAOYSA-N -1 1 361.427 2.220 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cnn(-c2cnc3ccccc3n2)c1 ZINC000535342950 562556400 /nfs/dbraw/zinc/55/64/00/562556400.db2.gz CCMSYBBIDFSYGQ-AWEZNQCLSA-N -1 1 373.438 2.126 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccco1)c1ccc(Br)c([O-])c1 ZINC000535717223 562565158 /nfs/dbraw/zinc/56/51/58/562565158.db2.gz DJTDMNWZESMDOP-JTQLQIEISA-N -1 1 354.200 2.329 20 0 FEADMM COc1ccc(OC)c(C=C([O-])Nc2nc(-c3cccnc3)ns2)c1 ZINC000535931810 562571016 /nfs/dbraw/zinc/57/10/16/562571016.db2.gz RRPUIDDUWONJMI-UHFFFAOYSA-N -1 1 356.407 2.220 20 0 FEADMM CC[C@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000535973448 562571506 /nfs/dbraw/zinc/57/15/06/562571506.db2.gz DXVSOGNEPWDSPK-WFASDCNBSA-N -1 1 371.459 2.146 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)cc1C ZINC000536459213 562576124 /nfs/dbraw/zinc/57/61/24/562576124.db2.gz KJVFODODWSGZCF-UHFFFAOYSA-N -1 1 374.418 2.339 20 0 FEADMM O=C(c1ccc(F)c(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537124017 562586015 /nfs/dbraw/zinc/58/60/15/562586015.db2.gz VEVQCMOKDLJAOB-VIFPVBQESA-N -1 1 354.183 2.121 20 0 FEADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(F)(F)F ZINC000541826024 562620769 /nfs/dbraw/zinc/62/07/69/562620769.db2.gz PZUBDZMQXHWDNI-ONGXEEELSA-N -1 1 355.382 2.100 20 0 FEADMM COc1cc(NC(=O)c2cnn(CC(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000541942720 562623995 /nfs/dbraw/zinc/62/39/95/562623995.db2.gz IWASTJGQYSGEIB-UHFFFAOYSA-N -1 1 366.443 2.172 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000542014704 562625615 /nfs/dbraw/zinc/62/56/15/562625615.db2.gz VLNLSFHLSYTMQN-UHFFFAOYSA-N -1 1 353.327 2.362 20 0 FEADMM CN(C)c1ccccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000545582972 562629163 /nfs/dbraw/zinc/62/91/63/562629163.db2.gz JVHGUKOACSLSTE-UHFFFAOYSA-N -1 1 364.452 2.343 20 0 FEADMM CC(C)(CCCc1ccccc1)CNC(=O)c1cc(=O)n2nc[n-]c2n1 ZINC000546091818 562633570 /nfs/dbraw/zinc/63/35/70/562633570.db2.gz HYYXBJZYMUZLMZ-UHFFFAOYSA-N -1 1 353.426 2.197 20 0 FEADMM C[C@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(C)(F)F ZINC000556339105 674397907 /nfs/dbraw/zinc/39/79/07/674397907.db2.gz VRAZUCQWQANNSK-JSGCOSHPSA-N -1 1 360.426 2.254 20 0 FEADMM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601686498 567819775 /nfs/dbraw/zinc/81/97/75/567819775.db2.gz ZPZOPQJCUREZTP-OCCSQVGLSA-N -1 1 355.818 2.063 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn3c2CCCC3)CCCCC1 ZINC000601977328 567894316 /nfs/dbraw/zinc/89/43/16/567894316.db2.gz GLBFHJXJZQVEOJ-UHFFFAOYSA-N -1 1 355.460 2.085 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)n[n-]1 ZINC000603156676 568068786 /nfs/dbraw/zinc/06/87/86/568068786.db2.gz SIYNCIKVYWYJFV-NSHDSACASA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)[n-]1 ZINC000603156676 568068787 /nfs/dbraw/zinc/06/87/87/568068787.db2.gz SIYNCIKVYWYJFV-NSHDSACASA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)n1 ZINC000603156676 568068788 /nfs/dbraw/zinc/06/87/88/568068788.db2.gz SIYNCIKVYWYJFV-NSHDSACASA-N -1 1 360.389 2.420 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)F)c(Br)c1 ZINC000603424931 568096469 /nfs/dbraw/zinc/09/64/69/568096469.db2.gz UJDDXTNFZYYNSW-LURJTMIESA-N -1 1 372.187 2.168 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc2c1ccnc2OC ZINC000603415733 568098510 /nfs/dbraw/zinc/09/85/10/568098510.db2.gz BUXYTDUCNUNEIR-UHFFFAOYSA-N -1 1 352.412 2.184 20 0 FEADMM CCOC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000603718840 568147269 /nfs/dbraw/zinc/14/72/69/568147269.db2.gz VLGKRWWMTGWYLT-PBHICJAKSA-N -1 1 374.437 2.074 20 0 FEADMM CN1C(=O)NCC12CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000644846128 568247642 /nfs/dbraw/zinc/24/76/42/568247642.db2.gz CSFQECAALCBRCW-UHFFFAOYSA-N -1 1 357.332 2.041 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1C ZINC000604571212 568314881 /nfs/dbraw/zinc/31/48/81/568314881.db2.gz YETOCXSSOHEINF-UHFFFAOYSA-N -1 1 374.422 2.173 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000604788778 568367092 /nfs/dbraw/zinc/36/70/92/568367092.db2.gz OQDGHWFGEGBOFX-XHBSWPGZSA-N -1 1 355.348 2.487 20 0 FEADMM O=C(NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037295 598836726 /nfs/dbraw/zinc/83/67/26/598836726.db2.gz DCFGUYCIKPXDGD-UHFFFAOYSA-N -1 1 354.801 2.377 20 0 FEADMM O=C(NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037295 598836728 /nfs/dbraw/zinc/83/67/28/598836728.db2.gz DCFGUYCIKPXDGD-UHFFFAOYSA-N -1 1 354.801 2.377 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737186118 598841792 /nfs/dbraw/zinc/84/17/92/598841792.db2.gz HHINTFJTJUBVKN-HOTUBEGUSA-N -1 1 362.459 2.244 20 0 FEADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000738345945 598846239 /nfs/dbraw/zinc/84/62/39/598846239.db2.gz SPSMIDOCBJTVNR-UHFFFAOYSA-N -1 1 373.291 2.224 20 0 FEADMM C[C@@H]1Oc2ccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)cc2NC1=O ZINC000736306056 598955722 /nfs/dbraw/zinc/95/57/22/598955722.db2.gz ZWSXSKJRYGMQGV-VIFPVBQESA-N -1 1 374.364 2.273 20 0 FEADMM C[C@@H]1Oc2ccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)cc2NC1=O ZINC000736306056 598955724 /nfs/dbraw/zinc/95/57/24/598955724.db2.gz ZWSXSKJRYGMQGV-VIFPVBQESA-N -1 1 374.364 2.273 20 0 FEADMM CN(C)C(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736753421 598957817 /nfs/dbraw/zinc/95/78/17/598957817.db2.gz KAONBNMJDHCQGZ-UHFFFAOYSA-N -1 1 361.365 2.304 20 0 FEADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000738389464 598977184 /nfs/dbraw/zinc/97/71/84/598977184.db2.gz XUOKGMFIRAXIFT-SECBINFHSA-N -1 1 352.185 2.109 20 0 FEADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000738389464 598977185 /nfs/dbraw/zinc/97/71/85/598977185.db2.gz XUOKGMFIRAXIFT-SECBINFHSA-N -1 1 352.185 2.109 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC(F)F)cc1 ZINC000736119369 598987785 /nfs/dbraw/zinc/98/77/85/598987785.db2.gz OOUGWRZQJDLQNL-VIFPVBQESA-N -1 1 360.324 2.354 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC(F)F)cc1 ZINC000736119369 598987787 /nfs/dbraw/zinc/98/77/87/598987787.db2.gz OOUGWRZQJDLQNL-VIFPVBQESA-N -1 1 360.324 2.354 20 0 FEADMM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737113806 598989976 /nfs/dbraw/zinc/98/99/76/598989976.db2.gz GOSYPUCJGXAQKA-OAHLLOKOSA-N -1 1 350.382 2.078 20 0 FEADMM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737113806 598989977 /nfs/dbraw/zinc/98/99/77/598989977.db2.gz GOSYPUCJGXAQKA-OAHLLOKOSA-N -1 1 350.382 2.078 20 0 FEADMM CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736752553 599003553 /nfs/dbraw/zinc/00/35/53/599003553.db2.gz ZRLOQDIRSYDXPZ-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736752553 599003554 /nfs/dbraw/zinc/00/35/54/599003554.db2.gz ZRLOQDIRSYDXPZ-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc2c(c1)NC(=O)CO2 ZINC000736164381 599026569 /nfs/dbraw/zinc/02/65/69/599026569.db2.gz NYNJPORAALACQF-MRVPVSSYSA-N -1 1 371.378 2.177 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000737225834 599029427 /nfs/dbraw/zinc/02/94/27/599029427.db2.gz UHZDYFNYYKCIBK-UHFFFAOYSA-N -1 1 358.427 2.042 20 0 FEADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000738345462 599042882 /nfs/dbraw/zinc/04/28/82/599042882.db2.gz MYNSYXVUJPGBDD-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM O=C(c1cccc(F)c1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000556681369 674412450 /nfs/dbraw/zinc/41/24/50/674412450.db2.gz ITKMCOQZUDNELO-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737356641 599133291 /nfs/dbraw/zinc/13/32/91/599133291.db2.gz REAXDMNZCOEFPG-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737356641 599133293 /nfs/dbraw/zinc/13/32/93/599133293.db2.gz REAXDMNZCOEFPG-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccccc1OCC(F)(F)F ZINC000823657933 599133754 /nfs/dbraw/zinc/13/37/54/599133754.db2.gz XAFUQONUDALJNP-UHFFFAOYSA-N -1 1 351.288 2.018 20 0 FEADMM O=C(OCc1ncc(-c2cccs2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245505 599134218 /nfs/dbraw/zinc/13/42/18/599134218.db2.gz RMGALOXQNCETSC-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1ncc(-c2cccs2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245505 599134220 /nfs/dbraw/zinc/13/42/20/599134220.db2.gz RMGALOXQNCETSC-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccco1 ZINC000738354698 599177380 /nfs/dbraw/zinc/17/73/80/599177380.db2.gz JUQFILCXYXYXEZ-ZDUSSCGKSA-N -1 1 363.374 2.125 20 0 FEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)N(C)C)c1 ZINC000818620698 597117011 /nfs/dbraw/zinc/11/70/11/597117011.db2.gz PFSWWDMSKDAYGU-PBHICJAKSA-N -1 1 363.458 2.194 20 0 FEADMM O=C([O-])Cc1cccc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000738624638 597191341 /nfs/dbraw/zinc/19/13/41/597191341.db2.gz CBVLCDQUHUVQCJ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM O=C([O-])Cc1cccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000738624638 597191342 /nfs/dbraw/zinc/19/13/42/597191342.db2.gz CBVLCDQUHUVQCJ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)n[nH]1 ZINC000818859056 597256427 /nfs/dbraw/zinc/25/64/27/597256427.db2.gz UYOMLOJQHIVKMV-CQSZACIVSA-N -1 1 371.441 2.214 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)n[nH]1 ZINC000818859056 597256430 /nfs/dbraw/zinc/25/64/30/597256430.db2.gz UYOMLOJQHIVKMV-CQSZACIVSA-N -1 1 371.441 2.214 20 0 FEADMM CN1CC[C@@H](CNC(=O)NCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000820619988 597492813 /nfs/dbraw/zinc/49/28/13/597492813.db2.gz DCWIROGNICJKSF-XHDPSFHLSA-N -1 1 357.813 2.246 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000820626139 597513413 /nfs/dbraw/zinc/51/34/13/597513413.db2.gz ISFBAOWTWQWACU-SFHVURJKSA-N -1 1 368.437 2.386 20 0 FEADMM CC(C)(C)C(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735586480 599266647 /nfs/dbraw/zinc/26/66/47/599266647.db2.gz MTBCIJQNRWYQFE-UHFFFAOYSA-N -1 1 365.441 2.110 20 0 FEADMM CC(C)(C)C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735586480 599266649 /nfs/dbraw/zinc/26/66/49/599266649.db2.gz MTBCIJQNRWYQFE-UHFFFAOYSA-N -1 1 365.441 2.110 20 0 FEADMM O=C([O-])CCCCN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000738571317 597766369 /nfs/dbraw/zinc/76/63/69/597766369.db2.gz PHARKSCGNWXBEM-UHFFFAOYSA-N -1 1 353.850 2.151 20 0 FEADMM O=C([O-])CCCCN1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000821516468 597812700 /nfs/dbraw/zinc/81/27/00/597812700.db2.gz USTMMXFUDQUCMD-LJQANCHMSA-N -1 1 373.497 2.050 20 0 FEADMM CCCCO[C@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708494 674425035 /nfs/dbraw/zinc/42/50/35/674425035.db2.gz WZRZAHCPTYBZHA-RVMXOQNASA-N -1 1 352.397 2.496 20 0 FEADMM COCCCN(Cc1ccncc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821687855 607329392 /nfs/dbraw/zinc/32/93/92/607329392.db2.gz RRVYLJRUFPLNCE-UHFFFAOYSA-N -1 1 359.821 2.353 20 0 FEADMM COCCCN(Cc1ccncc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821687855 607329393 /nfs/dbraw/zinc/32/93/93/607329393.db2.gz RRVYLJRUFPLNCE-UHFFFAOYSA-N -1 1 359.821 2.353 20 0 FEADMM COc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(=O)[O-])cc3)n2)c(OC)c1 ZINC000820805403 598155278 /nfs/dbraw/zinc/15/52/78/598155278.db2.gz XMUMMPHCUWRNHY-UHFFFAOYSA-N -1 1 368.349 2.439 20 0 FEADMM O=C(NCc1cc2n(n1)CCCO2)c1ccc(Br)cc1[O-] ZINC000556943124 674429082 /nfs/dbraw/zinc/42/90/82/674429082.db2.gz KEHFCUUQBKBKQF-UHFFFAOYSA-N -1 1 352.188 2.064 20 0 FEADMM CC(C)NC(=O)OC1CN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000807807057 674430852 /nfs/dbraw/zinc/43/08/52/674430852.db2.gz DFKDIEJWHDHKCB-UHFFFAOYSA-N -1 1 357.204 2.114 20 0 FEADMM O=C([N-]c1nncs1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738210707 598326157 /nfs/dbraw/zinc/32/61/57/598326157.db2.gz SXPZCEIRMWXNCQ-UHFFFAOYSA-N -1 1 369.366 2.143 20 0 FEADMM Clc1ccc(OC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)cc1 ZINC000737574125 598342547 /nfs/dbraw/zinc/34/25/47/598342547.db2.gz LEMLDQAEWOLUST-LBPRGKRZSA-N -1 1 357.805 2.358 20 0 FEADMM Clc1ccc(OC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)cc1 ZINC000737574125 598342549 /nfs/dbraw/zinc/34/25/49/598342549.db2.gz LEMLDQAEWOLUST-LBPRGKRZSA-N -1 1 357.805 2.358 20 0 FEADMM C[C@H](Cc1ccc(Br)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC000736057188 598343625 /nfs/dbraw/zinc/34/36/25/598343625.db2.gz UYWIHRPCBAATIQ-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Cc1ccc(Br)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC000736057188 598343627 /nfs/dbraw/zinc/34/36/27/598343627.db2.gz UYWIHRPCBAATIQ-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736168879 598403996 /nfs/dbraw/zinc/40/39/96/598403996.db2.gz KZTTUKGCNDFQKI-JTQLQIEISA-N -1 1 355.402 2.051 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1C ZINC000736626267 598451972 /nfs/dbraw/zinc/45/19/72/598451972.db2.gz QRTMSDLMSKVABV-UHFFFAOYSA-N -1 1 359.411 2.375 20 0 FEADMM Clc1nsc(N2CCO[C@@H](c3nccs3)C2)c1-c1nnn[n-]1 ZINC000737582535 598669792 /nfs/dbraw/zinc/66/97/92/598669792.db2.gz CAAGUTOIVUVUFU-ZCFIWIBFSA-N -1 1 355.836 2.011 20 0 FEADMM Clc1nsc(N2CCO[C@@H](c3nccs3)C2)c1-c1nn[n-]n1 ZINC000737582535 598669794 /nfs/dbraw/zinc/66/97/94/598669794.db2.gz CAAGUTOIVUVUFU-ZCFIWIBFSA-N -1 1 355.836 2.011 20 0 FEADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738386017 598678926 /nfs/dbraw/zinc/67/89/26/598678926.db2.gz KXWGRTGJMKHBER-SNVBAGLBSA-N -1 1 352.185 2.109 20 0 FEADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738386017 598678928 /nfs/dbraw/zinc/67/89/28/598678928.db2.gz KXWGRTGJMKHBER-SNVBAGLBSA-N -1 1 352.185 2.109 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000737777266 598700768 /nfs/dbraw/zinc/70/07/68/598700768.db2.gz RVWBZVXVICBEPY-SNVBAGLBSA-N -1 1 351.292 2.022 20 0 FEADMM CCn1ccnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736722748 598720888 /nfs/dbraw/zinc/72/08/88/598720888.db2.gz RYYSPHZOSWDBNZ-UHFFFAOYSA-N -1 1 355.789 2.100 20 0 FEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000737981996 598721786 /nfs/dbraw/zinc/72/17/86/598721786.db2.gz LTXIYOQODJAUNJ-UHFFFAOYSA-N -1 1 367.315 2.343 20 0 FEADMM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000557583027 674455325 /nfs/dbraw/zinc/45/53/25/674455325.db2.gz RYAUAIXXJHBFDK-DGCLKSJQSA-N -1 1 369.259 2.090 20 0 FEADMM C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820686061 599327428 /nfs/dbraw/zinc/32/74/28/599327428.db2.gz WRYONQHNFXUEMD-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737342792 599335357 /nfs/dbraw/zinc/33/53/57/599335357.db2.gz VBGZICQACAIFIJ-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737342792 599335358 /nfs/dbraw/zinc/33/53/58/599335358.db2.gz VBGZICQACAIFIJ-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2ccccc2C1 ZINC000823607429 599344101 /nfs/dbraw/zinc/34/41/01/599344101.db2.gz VHXUWMFAQQQDGL-UHFFFAOYSA-N -1 1 373.413 2.143 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2ccccc2C1 ZINC000823607429 599344103 /nfs/dbraw/zinc/34/41/03/599344103.db2.gz VHXUWMFAQQQDGL-UHFFFAOYSA-N -1 1 373.413 2.143 20 0 FEADMM Cc1cc(Br)c(C(=O)NC2(c3nn[n-]n3)CC2)cc1Cl ZINC000557654057 674459573 /nfs/dbraw/zinc/45/95/73/674459573.db2.gz ZLCYZTVBIKNBKX-UHFFFAOYSA-N -1 1 356.611 2.343 20 0 FEADMM COc1ccc(OC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737109926 599412165 /nfs/dbraw/zinc/41/21/65/599412165.db2.gz PPPYEQSVNLUBIU-UHFFFAOYSA-N -1 1 352.398 2.318 20 0 FEADMM COc1ccc(OC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737109926 599412166 /nfs/dbraw/zinc/41/21/66/599412166.db2.gz PPPYEQSVNLUBIU-UHFFFAOYSA-N -1 1 352.398 2.318 20 0 FEADMM COc1ccccc1N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737150633 599419570 /nfs/dbraw/zinc/41/95/70/599419570.db2.gz CDFFOLWVXPHISM-UHFFFAOYSA-N -1 1 351.414 2.351 20 0 FEADMM COc1ccccc1N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737150633 599419572 /nfs/dbraw/zinc/41/95/72/599419572.db2.gz CDFFOLWVXPHISM-UHFFFAOYSA-N -1 1 351.414 2.351 20 0 FEADMM c1csc([C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)n1 ZINC000823796972 599515648 /nfs/dbraw/zinc/51/56/48/599515648.db2.gz JGSUMPJKEXDTDY-HNNXBMFYSA-N -1 1 365.422 2.449 20 0 FEADMM c1csc([C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)n1 ZINC000823796972 599515650 /nfs/dbraw/zinc/51/56/50/599515650.db2.gz JGSUMPJKEXDTDY-HNNXBMFYSA-N -1 1 365.422 2.449 20 0 FEADMM O=C(NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823175398 599657248 /nfs/dbraw/zinc/65/72/48/599657248.db2.gz HNFMCLUVWXJVBN-UHFFFAOYSA-N -1 1 354.336 2.360 20 0 FEADMM O=C(NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823175398 599657249 /nfs/dbraw/zinc/65/72/49/599657249.db2.gz HNFMCLUVWXJVBN-UHFFFAOYSA-N -1 1 354.336 2.360 20 0 FEADMM COC(=O)[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1F ZINC000821649634 599658894 /nfs/dbraw/zinc/65/88/94/599658894.db2.gz AAIIKNCKCXFWQM-LLVKDONJSA-N -1 1 362.342 2.138 20 0 FEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H](C(F)(F)F)O1 ZINC000820804466 599688127 /nfs/dbraw/zinc/68/81/27/599688127.db2.gz SSDHJXNUQQOGKF-RFZPGFLSSA-N -1 1 354.745 2.133 20 0 FEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820804466 599688128 /nfs/dbraw/zinc/68/81/28/599688128.db2.gz SSDHJXNUQQOGKF-RFZPGFLSSA-N -1 1 354.745 2.133 20 0 FEADMM CCCN1CCN(c2ccc(NC(=O)CCNC(=O)[O-])cc2Cl)CC1 ZINC000737030152 599726342 /nfs/dbraw/zinc/72/63/42/599726342.db2.gz JPWHGJLSTQQQDD-UHFFFAOYSA-N -1 1 368.865 2.468 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)NC[C@@H](c2ccccc2)N(C)C)c(C(=O)[O-])c1C ZINC000736180594 599758534 /nfs/dbraw/zinc/75/85/34/599758534.db2.gz HXQRATPGOHDQGL-INIZCTEOSA-N -1 1 371.437 2.186 20 0 FEADMM CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000326682300 599766554 /nfs/dbraw/zinc/76/65/54/599766554.db2.gz NROGKSOONYDOHM-AWEZNQCLSA-N -1 1 366.439 2.339 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)c(C(=O)[O-])s1 ZINC000737680545 599813612 /nfs/dbraw/zinc/81/36/12/599813612.db2.gz KPZJFVNSUKBFHL-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)NCCOc3ccc(C(=O)[O-])cc3)c2=O)[nH+]1 ZINC000738663772 599951287 /nfs/dbraw/zinc/95/12/87/599951287.db2.gz CVZVDUYJEHJMRD-UHFFFAOYSA-N -1 1 367.361 2.151 20 0 FEADMM Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1C(=O)[O-] ZINC000738440298 600015745 /nfs/dbraw/zinc/01/57/45/600015745.db2.gz HPDDPMMQZIRHJA-KRWDZBQOSA-N -1 1 362.474 2.087 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000649464977 600073264 /nfs/dbraw/zinc/07/32/64/600073264.db2.gz FFBAAMBZUDHRSI-VXGBXAGGSA-N -1 1 371.359 2.116 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000463350166 600128867 /nfs/dbraw/zinc/12/88/67/600128867.db2.gz UJAGSIIARGJNCD-MRXNPFEDSA-N -1 1 360.454 2.421 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000674050683 600235743 /nfs/dbraw/zinc/23/57/43/600235743.db2.gz UUUSWCBPQBGDQA-UHFFFAOYSA-N -1 1 373.387 2.048 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C2CC2)cc1 ZINC000737960725 600291099 /nfs/dbraw/zinc/29/10/99/600291099.db2.gz OLFUGDUTULJJAY-MJGOQNOKSA-N -1 1 372.465 2.449 20 0 FEADMM CCOCc1ccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737177835 600309040 /nfs/dbraw/zinc/30/90/40/600309040.db2.gz MMZQFIYMTBTCMM-QGZVFWFLSA-N -1 1 360.454 2.026 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCN1CCOC ZINC000736941454 600353467 /nfs/dbraw/zinc/35/34/67/600353467.db2.gz WWUXUJUSUKSYFV-MRXNPFEDSA-N -1 1 364.446 2.029 20 0 FEADMM C[C@@H](CN(C)CC(=O)Nc1c(F)cc(F)cc1Br)C(=O)[O-] ZINC000736573884 600366046 /nfs/dbraw/zinc/36/60/46/600366046.db2.gz YCMYUPYGXGMIRQ-ZETCQYMHSA-N -1 1 365.174 2.318 20 0 FEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CC[C@H](c2ccco2)C1 ZINC000739622290 600375782 /nfs/dbraw/zinc/37/57/82/600375782.db2.gz HRVUIJANOIBDRT-DLBZAZTESA-N -1 1 354.406 2.107 20 0 FEADMM CN1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000737522989 600377126 /nfs/dbraw/zinc/37/71/26/600377126.db2.gz SCXOBXGULQXMGI-CHWSQXEVSA-N -1 1 355.232 2.175 20 0 FEADMM O=C([O-])Nc1ccc(CCNC(=O)c2nnc3ccccc3c2O)cc1 ZINC000740019355 600410683 /nfs/dbraw/zinc/41/06/83/600410683.db2.gz FMFWAFUFGZLQEW-UHFFFAOYSA-N -1 1 352.350 2.398 20 0 FEADMM CCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CCC1 ZINC000737069793 600432860 /nfs/dbraw/zinc/43/28/60/600432860.db2.gz UEMRAQUHTGBDKQ-UHFFFAOYSA-N -1 1 354.428 2.354 20 0 FEADMM O=C([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000576588802 600435331 /nfs/dbraw/zinc/43/53/31/600435331.db2.gz VMBNCPXUYWLJML-ZDUSSCGKSA-N -1 1 366.343 2.880 20 0 FEADMM Cc1cc(CNC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)n[nH]1 ZINC000738385039 600498380 /nfs/dbraw/zinc/49/83/80/600498380.db2.gz LFEYWRDLCNZSNC-UHFFFAOYSA-N -1 1 353.382 2.166 20 0 FEADMM CCCCCOc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000736990451 600529672 /nfs/dbraw/zinc/52/96/72/600529672.db2.gz KNIGLKLESUEUIZ-UHFFFAOYSA-N -1 1 367.427 2.338 20 0 FEADMM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000736551825 600580993 /nfs/dbraw/zinc/58/09/93/600580993.db2.gz KUMILCYXHCGKNO-IJEWVQPXSA-N -1 1 350.484 2.362 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)CN(CCOC)CCC(=O)[O-] ZINC000736951503 600639957 /nfs/dbraw/zinc/63/99/57/600639957.db2.gz VORNYYFCBFBNTA-AWEZNQCLSA-N -1 1 354.472 2.007 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)nc2)c[nH]1 ZINC000833305832 600676933 /nfs/dbraw/zinc/67/69/33/600676933.db2.gz CWKPJBOQRUNUFO-UHFFFAOYSA-N -1 1 373.390 2.488 20 0 FEADMM C[C@H]1CCCCN1CCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000828257369 600710830 /nfs/dbraw/zinc/71/08/30/600710830.db2.gz ANOHXDQBIOBTSM-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCN1C ZINC000828170164 600759931 /nfs/dbraw/zinc/75/99/31/600759931.db2.gz XMISAUKZCGWFCY-ZYHUDNBSSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1ccc2nc(CNC(=O)Nc3nnc(CCCC(=O)[O-])s3)[nH]c2c1 ZINC000832958824 600844797 /nfs/dbraw/zinc/84/47/97/600844797.db2.gz LEXFNXFDPMZMHM-UHFFFAOYSA-N -1 1 374.426 2.452 20 0 FEADMM CN(CCc1cccs1)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000830800744 600847336 /nfs/dbraw/zinc/84/73/36/600847336.db2.gz XBOUYQPSXHIPIN-QGZVFWFLSA-N -1 1 358.463 2.261 20 0 FEADMM O=C([O-])COc1cccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000738619748 600889629 /nfs/dbraw/zinc/88/96/29/600889629.db2.gz QBZVOUYEWWHFTN-UHFFFAOYSA-N -1 1 361.297 2.368 20 0 FEADMM COc1ccc(-c2[nH]ncc2C(=O)Nc2nnc(CCC(=O)[O-])s2)cc1 ZINC000832124266 600890652 /nfs/dbraw/zinc/89/06/52/600890652.db2.gz MCXNJGGVIZJJMH-UHFFFAOYSA-N -1 1 373.394 2.206 20 0 FEADMM C[C@](NCCOc1ccc(C(=O)[O-])cc1Cl)(C(N)=O)c1ccccc1 ZINC000827734850 600992674 /nfs/dbraw/zinc/99/26/74/600992674.db2.gz MXESNRABCJTCHT-GOSISDBHSA-N -1 1 362.813 2.407 20 0 FEADMM CN(Cc1ccc(Cl)nc1)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000830825236 601006556 /nfs/dbraw/zinc/00/65/56/601006556.db2.gz JWZYBMZMTIYMGE-CQSZACIVSA-N -1 1 350.802 2.305 20 0 FEADMM CN(C(=O)CN1CCSC[C@@H]1CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000830485967 601016422 /nfs/dbraw/zinc/01/64/22/601016422.db2.gz RXSKNWANSKFLMK-RDJZCZTQSA-N -1 1 362.495 2.415 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCC(OCC3CC3)CC2)cc1 ZINC000833286263 601052448 /nfs/dbraw/zinc/05/24/48/601052448.db2.gz PAFLPDKAIYSCLG-UHFFFAOYSA-N -1 1 361.442 2.284 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)N2CCN(C3CCC3)CC2)c1OC ZINC000831897122 601080009 /nfs/dbraw/zinc/08/00/09/601080009.db2.gz IZULDHXWDBDBFX-UHFFFAOYSA-N -1 1 363.414 2.104 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 ZINC000827361777 601085795 /nfs/dbraw/zinc/08/57/95/601085795.db2.gz FMNJIPOMZUEZMO-ZDUSSCGKSA-N -1 1 354.834 2.116 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000630224572 601087289 /nfs/dbraw/zinc/08/72/89/601087289.db2.gz QLXPUSSWIZFBIN-AWEZNQCLSA-N -1 1 361.467 2.219 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(F)cc2Cl)CC1 ZINC000827362697 601094670 /nfs/dbraw/zinc/09/46/70/601094670.db2.gz SNQABAHYMFPXJY-GFCCVEGCSA-N -1 1 372.824 2.255 20 0 FEADMM Cc1ccc2c(CCC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c[nH]c2c1 ZINC000832960456 601102296 /nfs/dbraw/zinc/10/22/96/601102296.db2.gz RANXLZOHTAPWRG-OAHLLOKOSA-N -1 1 357.454 2.416 20 0 FEADMM O=C([O-])Nc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000833285990 601122546 /nfs/dbraw/zinc/12/25/46/601122546.db2.gz NCKSSIDRHGUBIH-UHFFFAOYSA-N -1 1 370.390 2.414 20 0 FEADMM O=C([O-])CCNC(=O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000833236962 601157295 /nfs/dbraw/zinc/15/72/95/601157295.db2.gz RDCSWPWFVJZQAN-UONOGXRCSA-N -1 1 354.472 2.007 20 0 FEADMM CC(C)OCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000827033474 601203617 /nfs/dbraw/zinc/20/36/17/601203617.db2.gz JSRLQJPWXSIKKR-UHFFFAOYSA-N -1 1 353.343 2.153 20 0 FEADMM COC(=O)[C@H](C)[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000831058721 601205649 /nfs/dbraw/zinc/20/56/49/601205649.db2.gz ADDRYMQJVZKWBH-ACJLOTCBSA-N -1 1 370.405 2.463 20 0 FEADMM COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000831059358 601206322 /nfs/dbraw/zinc/20/63/22/601206322.db2.gz GJSNWHZWVRPFSY-UGSOOPFHSA-N -1 1 370.405 2.463 20 0 FEADMM COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000831125322 601319557 /nfs/dbraw/zinc/31/95/57/601319557.db2.gz ZQHTWPQKNARGPP-QPJJXVBHSA-N -1 1 367.404 2.433 20 0 FEADMM CCC1CCC(NCC(=O)NC(=O)NC2CCCCC2)(C(=O)[O-])CC1 ZINC000829101634 601495148 /nfs/dbraw/zinc/49/51/48/601495148.db2.gz SZGBRJHNXOTDGG-UHFFFAOYSA-N -1 1 353.463 2.158 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223831072 601505843 /nfs/dbraw/zinc/50/58/43/601505843.db2.gz FROOUJIIIHQIBD-PWSUYJOCSA-N -1 1 355.232 2.349 20 0 FEADMM Cn1cc(NC(=O)Nc2ccccc2N2CCN(C)CC2)cc1C(=O)[O-] ZINC000830959830 601526160 /nfs/dbraw/zinc/52/61/60/601526160.db2.gz BPZNOYGQODJYNY-UHFFFAOYSA-N -1 1 357.414 2.119 20 0 FEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000826031261 601609361 /nfs/dbraw/zinc/60/93/61/601609361.db2.gz JHVYWRAXRNHVJV-KWQFWETISA-N -1 1 369.493 2.497 20 0 FEADMM Cc1cc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)[nH]n1 ZINC000832883502 601642602 /nfs/dbraw/zinc/64/26/02/601642602.db2.gz NLQGBORDZGUAQO-ZDUSSCGKSA-N -1 1 366.215 2.355 20 0 FEADMM CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829618766 601780290 /nfs/dbraw/zinc/78/02/90/601780290.db2.gz HEUZYJGOBVVCIG-BFYDXBDKSA-N -1 1 368.499 2.194 20 0 FEADMM Cc1oc(S(=O)(=O)N(CCN(C)C)C2CCCCC2)cc1C(=O)[O-] ZINC000833027306 601800417 /nfs/dbraw/zinc/80/04/17/601800417.db2.gz UODRDAHVSWPVLB-UHFFFAOYSA-N -1 1 358.460 2.171 20 0 FEADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1C(=O)[O-] ZINC000571931285 601804108 /nfs/dbraw/zinc/80/41/08/601804108.db2.gz SOARFNHKCQGHMN-JTQLQIEISA-N -1 1 354.453 2.287 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000829873402 601823610 /nfs/dbraw/zinc/82/36/10/601823610.db2.gz PIFBRVWRMRJERG-ZDUSSCGKSA-N -1 1 356.444 2.179 20 0 FEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C(=O)O1 ZINC000809382809 674492274 /nfs/dbraw/zinc/49/22/74/674492274.db2.gz NDMVUFJVBTWZQW-HZGVNTEJSA-N -1 1 357.737 2.341 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000237543589 601835341 /nfs/dbraw/zinc/83/53/41/601835341.db2.gz QOPMJUVKJYLOMP-LLVKDONJSA-N -1 1 360.863 2.048 20 0 FEADMM COC(=O)CCC1CCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000831151954 601844463 /nfs/dbraw/zinc/84/44/63/601844463.db2.gz HYOOUFMZZHGHOC-UHFFFAOYSA-N -1 1 362.426 2.297 20 0 FEADMM C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000595882383 601845507 /nfs/dbraw/zinc/84/55/07/601845507.db2.gz IPYLEGSXYLYMRI-LBPRGKRZSA-N -1 1 365.405 2.439 20 0 FEADMM Cc1[nH]nc(C(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)c1Br ZINC000740204921 601853648 /nfs/dbraw/zinc/85/36/48/601853648.db2.gz SDYMHWRYNPEMBE-UHFFFAOYSA-N -1 1 371.235 2.228 20 0 FEADMM COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000831230695 601872062 /nfs/dbraw/zinc/87/20/62/601872062.db2.gz ICBBCQSTIUAEQF-LBPRGKRZSA-N -1 1 356.444 2.179 20 0 FEADMM CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000828587145 601924660 /nfs/dbraw/zinc/92/46/60/601924660.db2.gz NPCUZUAVCPTELL-ZFWWWQNUSA-N -1 1 352.456 2.304 20 0 FEADMM O=C([O-])N1[C@H](C(=O)NCc2n[nH]c(-c3ccccc3)n2)C[C@@H]2CCCC[C@@H]21 ZINC000740452401 601953132 /nfs/dbraw/zinc/95/31/32/601953132.db2.gz CFSUFNOJZWDLTH-KKUMJFAQSA-N -1 1 369.425 2.399 20 0 FEADMM O=C([O-])N1[C@H](C(=O)NCc2nc(-c3ccccc3)n[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000740452401 601953136 /nfs/dbraw/zinc/95/31/36/601953136.db2.gz CFSUFNOJZWDLTH-KKUMJFAQSA-N -1 1 369.425 2.399 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000738262283 602020258 /nfs/dbraw/zinc/02/02/58/602020258.db2.gz WJRZSFPMODHFFT-HNNXBMFYSA-N -1 1 364.446 2.167 20 0 FEADMM FC(F)(F)COCc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000826367784 607542732 /nfs/dbraw/zinc/54/27/32/607542732.db2.gz NZAYXZNIJPKZML-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM FC(F)(F)COCc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000826367784 607542734 /nfs/dbraw/zinc/54/27/34/607542734.db2.gz NZAYXZNIJPKZML-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000574258132 602086764 /nfs/dbraw/zinc/08/67/64/602086764.db2.gz CBVPQGZDDPUNFE-WMLDXEAASA-N -1 1 353.850 2.449 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000558431028 674495101 /nfs/dbraw/zinc/49/51/01/674495101.db2.gz DGCZPYILBDXPNO-LSDHHAIUSA-N -1 1 365.455 2.542 20 0 FEADMM COc1ccc(OCCS(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832443918 602117813 /nfs/dbraw/zinc/11/78/13/602117813.db2.gz CIMWSFYWLLLKPX-UHFFFAOYSA-N -1 1 357.409 2.276 20 0 FEADMM C[C@@H](Oc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1)C(=O)[O-] ZINC000827884350 602126901 /nfs/dbraw/zinc/12/69/01/602126901.db2.gz IIZBXRVSZIOZTB-BMIGLBTASA-N -1 1 351.366 2.385 20 0 FEADMM CCN(CC)C(=O)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825407102 607546604 /nfs/dbraw/zinc/54/66/04/607546604.db2.gz YQIQJLUJTODRPF-UHFFFAOYSA-N -1 1 351.414 2.356 20 0 FEADMM CCN(CC)C(=O)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825407102 607546606 /nfs/dbraw/zinc/54/66/06/607546606.db2.gz YQIQJLUJTODRPF-UHFFFAOYSA-N -1 1 351.414 2.356 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000831961840 602226748 /nfs/dbraw/zinc/22/67/48/602226748.db2.gz NLBNGAHYMJJNJM-SJKOYZFVSA-N -1 1 366.458 2.278 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc12 ZINC000677235085 602322289 /nfs/dbraw/zinc/32/22/89/602322289.db2.gz YPCKINYHOFKHHS-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000739609863 602340014 /nfs/dbraw/zinc/34/00/14/602340014.db2.gz XXNISCIUCLWFRZ-GJZGRUSLSA-N -1 1 361.467 2.346 20 0 FEADMM CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccsc1 ZINC000739608610 602383018 /nfs/dbraw/zinc/38/30/18/602383018.db2.gz PMBUKPWFWOIULV-HOTGVXAUSA-N -1 1 361.467 2.346 20 0 FEADMM CN(CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)C(=O)[O-] ZINC000739667191 602385953 /nfs/dbraw/zinc/38/59/53/602385953.db2.gz WUOINRAMNXBSMH-UHFFFAOYSA-N -1 1 364.833 2.170 20 0 FEADMM CC(C)N(CCCNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)C(=O)[O-] ZINC000738846065 602406256 /nfs/dbraw/zinc/40/62/56/602406256.db2.gz IMZZJJLVQPOAHK-UHFFFAOYSA-N -1 1 364.427 2.132 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1cccs1 ZINC000739652140 602413288 /nfs/dbraw/zinc/41/32/88/602413288.db2.gz SSVNJRPUGBBMGQ-AWEZNQCLSA-N -1 1 368.503 2.382 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1cccs1 ZINC000739652141 602413300 /nfs/dbraw/zinc/41/33/00/602413300.db2.gz SSVNJRPUGBBMGQ-CQSZACIVSA-N -1 1 368.503 2.382 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740185823 602446710 /nfs/dbraw/zinc/44/67/10/602446710.db2.gz XQFYXWKIVBRBPT-JKSUJKDBSA-N -1 1 361.486 2.410 20 0 FEADMM O=C([O-])N1CCC[C@H]1CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000740414296 602500906 /nfs/dbraw/zinc/50/09/06/602500906.db2.gz AIGQBEKRXFUHJC-VIFPVBQESA-N -1 1 367.203 2.198 20 0 FEADMM O=C([O-])N1CCCC[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000740401776 602503085 /nfs/dbraw/zinc/50/30/85/602503085.db2.gz UMFRFDBMTWHBDW-QGZVFWFLSA-N -1 1 363.433 2.439 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739956986 602532319 /nfs/dbraw/zinc/53/23/19/602532319.db2.gz HYUANYXDWKCELO-ZNMIVQPWSA-N -1 1 363.458 2.193 20 0 FEADMM C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632143 602534124 /nfs/dbraw/zinc/53/41/24/602534124.db2.gz ZMARFLSPFKJOGT-OCCSQVGLSA-N -1 1 353.850 2.276 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493515 607572416 /nfs/dbraw/zinc/57/24/16/607572416.db2.gz OFMJBXLREABAEW-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493515 607572418 /nfs/dbraw/zinc/57/24/18/607572418.db2.gz OFMJBXLREABAEW-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM COc1cc(C)ccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826178381 607575302 /nfs/dbraw/zinc/57/53/02/607575302.db2.gz VVMJYJIPQXRTMB-UHFFFAOYSA-N -1 1 360.395 2.260 20 0 FEADMM CCN(CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000739429798 602610246 /nfs/dbraw/zinc/61/02/46/602610246.db2.gz BCTASSNVHMPKIR-CQSZACIVSA-N -1 1 352.435 2.106 20 0 FEADMM O=S(=O)(NCc1cccs1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492094 607575969 /nfs/dbraw/zinc/57/59/69/607575969.db2.gz SFVGNFVITCTMGR-UHFFFAOYSA-N -1 1 355.832 2.060 20 0 FEADMM O=S(=O)(NCc1cccs1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492094 607575971 /nfs/dbraw/zinc/57/59/71/607575971.db2.gz SFVGNFVITCTMGR-UHFFFAOYSA-N -1 1 355.832 2.060 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826304727 607577340 /nfs/dbraw/zinc/57/73/40/607577340.db2.gz WDFMONLGDWHCPZ-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739789723 602645736 /nfs/dbraw/zinc/64/57/36/602645736.db2.gz UCFKHLMWXRYSTC-UHFFFAOYSA-N -1 1 350.352 2.364 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000824640334 607578564 /nfs/dbraw/zinc/57/85/64/607578564.db2.gz GMIBAJJBUQYEOE-MRVPVSSYSA-N -1 1 353.404 2.107 20 0 FEADMM O=C([O-])NCCOCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000740666244 602659470 /nfs/dbraw/zinc/65/94/70/602659470.db2.gz CVPLHTMJOSBIGZ-SFHVURJKSA-N -1 1 368.393 2.053 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 ZINC000739000078 602697559 /nfs/dbraw/zinc/69/75/59/602697559.db2.gz ABXVKIVQNIUWMX-DOMZBBRYSA-N -1 1 368.503 2.429 20 0 FEADMM CN(C)[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1ccsc1 ZINC000739610017 602707544 /nfs/dbraw/zinc/70/75/44/602707544.db2.gz ZSUGHOWRUHUITR-LLVKDONJSA-N -1 1 354.457 2.005 20 0 FEADMM O=C([O-])Nc1ccccc1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000740714590 602712277 /nfs/dbraw/zinc/71/22/77/602712277.db2.gz UJISQSYHNKQTHK-UHFFFAOYSA-N -1 1 367.365 2.411 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178948 602777687 /nfs/dbraw/zinc/77/76/87/602777687.db2.gz UERYZWOGXCSHTL-TYNCELHUSA-N -1 1 353.850 2.323 20 0 FEADMM C[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824458731 607585334 /nfs/dbraw/zinc/58/53/34/607585334.db2.gz YJMCQWHCOWDERQ-VIFPVBQESA-N -1 1 367.818 2.023 20 0 FEADMM C[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824458731 607585335 /nfs/dbraw/zinc/58/53/35/607585335.db2.gz YJMCQWHCOWDERQ-VIFPVBQESA-N -1 1 367.818 2.023 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738784340 602827587 /nfs/dbraw/zinc/82/75/87/602827587.db2.gz FRFHUBFOBKINPV-LSDHHAIUSA-N -1 1 366.462 2.398 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)NC(=O)[O-] ZINC000738785801 602830227 /nfs/dbraw/zinc/83/02/27/602830227.db2.gz JMJZCKJVWJPUAV-GJZGRUSLSA-N -1 1 354.426 2.020 20 0 FEADMM CCc1nc(CN2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)cs1 ZINC000739550596 602865718 /nfs/dbraw/zinc/86/57/18/602865718.db2.gz BKNWCVCODKASKS-CQSZACIVSA-N -1 1 352.504 2.213 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739139319 602887582 /nfs/dbraw/zinc/88/75/82/602887582.db2.gz UAXIWPOOHLAJTF-MBNYWOFBSA-N -1 1 354.476 2.133 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC[C@H]1NC(=O)[O-] ZINC000739132737 602930382 /nfs/dbraw/zinc/93/03/82/602930382.db2.gz GECIGFZGJVXEBS-WQVCFCJDSA-N -1 1 366.437 2.116 20 0 FEADMM O=C([O-])NC[C@@H](C(=O)Nc1ccn(-c2ccncc2)n1)c1ccccc1 ZINC000832415676 602937367 /nfs/dbraw/zinc/93/73/67/602937367.db2.gz PWOWLFJCOAQFQP-OAHLLOKOSA-N -1 1 351.366 2.257 20 0 FEADMM Cc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n1C ZINC000740107324 603058545 /nfs/dbraw/zinc/05/85/45/603058545.db2.gz MDCTXGUQXJKKQH-UHFFFAOYSA-N -1 1 354.370 2.139 20 0 FEADMM Cc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n1C ZINC000740107324 603058548 /nfs/dbraw/zinc/05/85/48/603058548.db2.gz MDCTXGUQXJKKQH-UHFFFAOYSA-N -1 1 354.370 2.139 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2cc(O)c(OC)cc2Br)C1 ZINC000635316034 677095249 /nfs/dbraw/zinc/09/52/49/677095249.db2.gz AUHCFQIDVYLNIL-OAHLLOKOSA-N -1 1 374.231 2.086 20 0 FEADMM O=C([O-])NC[C@H]1CCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000832568067 603119270 /nfs/dbraw/zinc/11/92/70/603119270.db2.gz LQLQIVRJAMZHSM-SECBINFHSA-N -1 1 367.203 2.198 20 0 FEADMM C[C@H](CNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738916429 603166487 /nfs/dbraw/zinc/16/64/87/603166487.db2.gz QQYNXPCXPSZBQS-KYJSFNMBSA-N -1 1 359.470 2.376 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)c2)CC1 ZINC000739735689 603182027 /nfs/dbraw/zinc/18/20/27/603182027.db2.gz CUXJPNYJXLPNJC-SJLPKXTDSA-N -1 1 374.485 2.199 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccccc1F ZINC000826467394 607612718 /nfs/dbraw/zinc/61/27/18/607612718.db2.gz UMQFAKYLKDINJW-UHFFFAOYSA-N -1 1 365.328 2.148 20 0 FEADMM COc1cccc([C@@H](CNC(=O)c2ccc(CNC(=O)[O-])o2)N(C)C)c1 ZINC000829543086 603251303 /nfs/dbraw/zinc/25/13/03/603251303.db2.gz DSAHXFXRCUREIE-OAHLLOKOSA-N -1 1 361.398 2.089 20 0 FEADMM O=C([O-])N1CC[C@@H](CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 ZINC000740497854 603326000 /nfs/dbraw/zinc/32/60/00/603326000.db2.gz BSJQLSQLLSHTNW-HNNXBMFYSA-N -1 1 365.861 2.027 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)[O-])C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000739660899 603344395 /nfs/dbraw/zinc/34/43/95/603344395.db2.gz XDYWNZJOHIQTKS-WFASDCNBSA-N -1 1 351.834 2.377 20 0 FEADMM CCN(CC(=O)Nc1cc(CN2CCSCC2)ccc1C)C(=O)[O-] ZINC000739391736 603385890 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CC(=O)Nc1ccc2c(CN3CCC[C@@H]3CN(C)C(=O)[O-])cc(=O)oc2c1 ZINC000823610979 603577249 /nfs/dbraw/zinc/57/72/49/603577249.db2.gz KQMADKTWANBDQA-OAHLLOKOSA-N -1 1 373.409 2.326 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)c1ccco1 ZINC000827035686 603638075 /nfs/dbraw/zinc/63/80/75/603638075.db2.gz MSPOMSHCFQOEHQ-ZIAGYGMSSA-N -1 1 352.435 2.056 20 0 FEADMM CN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000827948120 603699042 /nfs/dbraw/zinc/69/90/42/603699042.db2.gz CVZSZNHVKAOCDW-VIFPVBQESA-N -1 1 367.203 2.150 20 0 FEADMM C[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]1CNC(=O)[O-] ZINC000825925778 603711790 /nfs/dbraw/zinc/71/17/90/603711790.db2.gz RFEIXXDDNIACAA-BXUZGUMPSA-N -1 1 364.833 2.216 20 0 FEADMM O=C([O-])N1CC[C@](F)(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000831895959 603816294 /nfs/dbraw/zinc/81/62/94/603816294.db2.gz RLWDDPNCNACQRR-BLLLJJGKSA-N -1 1 355.435 2.093 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c(O)c1 ZINC000832833951 603939246 /nfs/dbraw/zinc/93/92/46/603939246.db2.gz RRNUEDDIHXQLMH-UHFFFAOYSA-N -1 1 358.329 2.470 20 0 FEADMM CC1(C)CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824803808 607668943 /nfs/dbraw/zinc/66/89/43/607668943.db2.gz XLQIQIGDHSPZMV-GFCCVEGCSA-N -1 1 353.423 2.253 20 0 FEADMM CC1(C)CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824803808 607668945 /nfs/dbraw/zinc/66/89/45/607668945.db2.gz XLQIQIGDHSPZMV-GFCCVEGCSA-N -1 1 353.423 2.253 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@@H](C)CN(C)C(=O)[O-])N2CCCC2)c1 ZINC000829543584 604064788 /nfs/dbraw/zinc/06/47/88/604064788.db2.gz MXHNUTJDZBUMFW-YOEHRIQHSA-N -1 1 363.458 2.194 20 0 FEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1C[C@@H]2CCC[C@@H]21 ZINC000826494720 607674832 /nfs/dbraw/zinc/67/48/32/607674832.db2.gz MQHBMCRUPSOCPU-KWQFWETISA-N -1 1 373.360 2.059 20 0 FEADMM CN(C(=O)Nc1cnn(-c2ccncc2)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827816443 604148114 /nfs/dbraw/zinc/14/81/14/604148114.db2.gz UUWVVJDEQROMHR-UHFFFAOYSA-N -1 1 358.402 2.310 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000825252673 604203249 /nfs/dbraw/zinc/20/32/49/604203249.db2.gz FTTXOESKRCAGFR-BWSDNOOPSA-N -1 1 363.502 2.440 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000825266647 604210442 /nfs/dbraw/zinc/21/04/42/604210442.db2.gz WETDUANEMFLEKB-OCCSQVGLSA-N -1 1 353.850 2.324 20 0 FEADMM Cc1ccc(CNC(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1F ZINC000830314127 604235904 /nfs/dbraw/zinc/23/59/04/604235904.db2.gz VWHTXTHLSIEABG-HIFRSBDPSA-N -1 1 351.422 2.118 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000825267496 604242333 /nfs/dbraw/zinc/24/23/33/604242333.db2.gz YTIZHQUGIPKINN-ZFWWWQNUSA-N -1 1 367.877 2.367 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000825252503 604246366 /nfs/dbraw/zinc/24/63/66/604246366.db2.gz FBVKGFBKTSJTCI-CHWSQXEVSA-N -1 1 351.472 2.001 20 0 FEADMM CC[C@@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)N(C)C ZINC000828587159 604268800 /nfs/dbraw/zinc/26/88/00/604268800.db2.gz NWKIATRXFLMIDF-JKSUJKDBSA-N -1 1 361.442 2.045 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826523546 607682638 /nfs/dbraw/zinc/68/26/38/607682638.db2.gz PTUBLUBTJCZHQJ-QWHCGFSZSA-N -1 1 351.414 2.063 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826523546 607682640 /nfs/dbraw/zinc/68/26/40/607682640.db2.gz PTUBLUBTJCZHQJ-QWHCGFSZSA-N -1 1 351.414 2.063 20 0 FEADMM CCCOC(=O)c1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000829523346 604337466 /nfs/dbraw/zinc/33/74/66/604337466.db2.gz UPSXMHBKVMVDJD-UHFFFAOYSA-N -1 1 364.379 2.147 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(OCC(F)(F)F)c2)CC1 ZINC000827380720 604559296 /nfs/dbraw/zinc/55/92/96/604559296.db2.gz VZTRGUVQGOSFQR-LBPRGKRZSA-N -1 1 374.359 2.249 20 0 FEADMM Cc1cc(CNC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n[nH]1 ZINC000832883637 604591322 /nfs/dbraw/zinc/59/13/22/604591322.db2.gz ZMOSPFLLXCONIP-UHFFFAOYSA-N -1 1 357.414 2.202 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1-c1cc[nH+]cc1 ZINC000832869133 604622203 /nfs/dbraw/zinc/62/22/03/604622203.db2.gz ZNFJZEKTRICQCD-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCCCC[C@@H]3NC(=O)[O-])C2)n[nH]1 ZINC000830735674 604644486 /nfs/dbraw/zinc/64/44/86/604644486.db2.gz STJZMNSHXNTVBG-ILXRZTDVSA-N -1 1 363.462 2.426 20 0 FEADMM O=C([O-])Cc1csc(NC(=O)c2ccc(Br)cc2O)n1 ZINC000044483555 604665137 /nfs/dbraw/zinc/66/51/37/604665137.db2.gz NGYNDRMDHXCGIY-UHFFFAOYSA-N -1 1 357.185 2.491 20 0 FEADMM CC(=O)N1CCc2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)ccc21 ZINC000833391655 604866111 /nfs/dbraw/zinc/86/61/11/604866111.db2.gz NHFJNLNRYMHJGJ-UHFFFAOYSA-N -1 1 364.361 2.422 20 0 FEADMM CC(C)C(=O)N1CCC(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC000833462715 604866144 /nfs/dbraw/zinc/86/61/44/604866144.db2.gz QFGDDIDSECTNFL-UHFFFAOYSA-N -1 1 358.398 2.094 20 0 FEADMM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833395568 604867943 /nfs/dbraw/zinc/86/79/43/604867943.db2.gz OXGNDEOHONQAMO-HNNXBMFYSA-N -1 1 364.361 2.177 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833442591 604896822 /nfs/dbraw/zinc/89/68/22/604896822.db2.gz HOEWOYHVVYKNIL-AWEZNQCLSA-N -1 1 374.397 2.182 20 0 FEADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833387714 604937557 /nfs/dbraw/zinc/93/75/57/604937557.db2.gz KNLIRNSYFWNPBB-ROUUACIJSA-N -1 1 374.481 2.126 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-])N1CCCC[C@@H]1C ZINC000833615870 605017467 /nfs/dbraw/zinc/01/74/67/605017467.db2.gz UCMROYOFHKSCGR-NWDGAFQWSA-N -1 1 358.435 2.065 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833487812 605019664 /nfs/dbraw/zinc/01/96/64/605019664.db2.gz JDVBFIBGGWRFLC-UHFFFAOYSA-N -1 1 372.462 2.265 20 0 FEADMM CC(C)Oc1ccccc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833508377 605045055 /nfs/dbraw/zinc/04/50/55/605045055.db2.gz ZIJILOCPKDXVCZ-HNNXBMFYSA-N -1 1 363.458 2.164 20 0 FEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596783 605047333 /nfs/dbraw/zinc/04/73/33/605047333.db2.gz GDPSLNPLQQKASA-GOEBONIOSA-N -1 1 374.462 2.326 20 0 FEADMM CC(C)(CN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)NS(C)(=O)=O ZINC000833458119 605064153 /nfs/dbraw/zinc/06/41/53/605064153.db2.gz DGGZVPNKWZQFQV-LLVKDONJSA-N -1 1 369.270 2.037 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000833767415 605078588 /nfs/dbraw/zinc/07/85/88/605078588.db2.gz DUPJYBUZOFIREI-ZDUSSCGKSA-N -1 1 360.757 2.144 20 0 FEADMM Cc1cc(Cl)ccc1OCC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833744816 605116791 /nfs/dbraw/zinc/11/67/91/605116791.db2.gz QDRHDVKCOBWSIS-ZDUSSCGKSA-N -1 1 354.834 2.035 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1cc2ccccc2o1 ZINC000833626868 605139180 /nfs/dbraw/zinc/13/91/80/605139180.db2.gz SFGXCPRPAXEXNU-AWEZNQCLSA-N -1 1 359.426 2.166 20 0 FEADMM C[C@](CNC(=O)[O-])(NCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000824953733 605167554 /nfs/dbraw/zinc/16/75/54/605167554.db2.gz WOCKYAHUYZUADZ-OAHLLOKOSA-N -1 1 360.863 2.140 20 0 FEADMM CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])co2)c(F)cc1F ZINC000833398812 605184402 /nfs/dbraw/zinc/18/44/02/605184402.db2.gz ROMLYDALNNTNTR-UHFFFAOYSA-N -1 1 360.294 2.015 20 0 FEADMM CC(C)(CC(=O)[O-])CC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000833455265 605225686 /nfs/dbraw/zinc/22/56/86/605225686.db2.gz VPBJYRBSJGXQOX-UHFFFAOYSA-N -1 1 354.491 2.276 20 0 FEADMM CC(C)(C)C[C@@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000833427750 605231980 /nfs/dbraw/zinc/23/19/80/605231980.db2.gz MNNDTCYDTMHYBI-CYBMUJFWSA-N -1 1 361.398 2.115 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCN1CCC(=O)[O-] ZINC000833618210 605256288 /nfs/dbraw/zinc/25/62/88/605256288.db2.gz LZHDPYAXHVVMQE-KCXAZCMYSA-N -1 1 350.846 2.451 20 0 FEADMM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000833460767 605266371 /nfs/dbraw/zinc/26/63/71/605266371.db2.gz GLGAOSQWOHZBJW-ZDUSSCGKSA-N -1 1 357.414 2.224 20 0 FEADMM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000833460767 605266373 /nfs/dbraw/zinc/26/63/73/605266373.db2.gz GLGAOSQWOHZBJW-ZDUSSCGKSA-N -1 1 357.414 2.224 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833488684 605282847 /nfs/dbraw/zinc/28/28/47/605282847.db2.gz TXQSYIMXPCDYHK-ZDUSSCGKSA-N -1 1 368.409 2.394 20 0 FEADMM CC(C)CN1Cc2cccc(NC(=O)CCOC3CN(C(=O)[O-])C3)c2C1 ZINC000833796796 605313449 /nfs/dbraw/zinc/31/34/49/605313449.db2.gz ODZXQXQRJDWSLG-UHFFFAOYSA-N -1 1 361.442 2.366 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)c3cccc(F)c3)CC2)O1 ZINC000833576885 605319538 /nfs/dbraw/zinc/31/95/38/605319538.db2.gz AYGBXYSTIXMFQF-INIZCTEOSA-N -1 1 362.401 2.121 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)CCc3ccccc3)CC2)O1 ZINC000833581341 605351094 /nfs/dbraw/zinc/35/10/94/605351094.db2.gz WPBRVUSCLURULB-SFHVURJKSA-N -1 1 372.465 2.301 20 0 FEADMM O=C([O-])N(CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)C1CC1 ZINC000833998757 605374617 /nfs/dbraw/zinc/37/46/17/605374617.db2.gz OFVQWUQXJXQEOS-CQSZACIVSA-N -1 1 369.425 2.320 20 0 FEADMM O=C([O-])N(CC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)C1CC1 ZINC000833998757 605374623 /nfs/dbraw/zinc/37/46/23/605374623.db2.gz OFVQWUQXJXQEOS-CQSZACIVSA-N -1 1 369.425 2.320 20 0 FEADMM O=C([O-])N1CCSC[C@H]1CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000831415369 605432993 /nfs/dbraw/zinc/43/29/93/605432993.db2.gz ZUJSXZFXBCNGIU-SNVBAGLBSA-N -1 1 368.846 2.318 20 0 FEADMM C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833788567 605446019 /nfs/dbraw/zinc/44/60/19/605446019.db2.gz AVRWJLHVYIPDFX-UVLXDEKHSA-N -1 1 366.849 2.430 20 0 FEADMM CCCN(C(=O)NCCCc1cn[nH]c1C)C1CCN(C(=O)[O-])CC1 ZINC000826871246 605448226 /nfs/dbraw/zinc/44/82/26/605448226.db2.gz GQJWHAQTEQQDAU-UHFFFAOYSA-N -1 1 351.451 2.215 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@H]([C@H](C)NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000833814130 605491221 /nfs/dbraw/zinc/49/12/21/605491221.db2.gz COSCWAVJYQOWKX-VYDXJSESSA-N -1 1 374.485 2.121 20 0 FEADMM Cn1cc(CN2CC[C@H](NC(=O)[O-])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000833950154 605563383 /nfs/dbraw/zinc/56/33/83/605563383.db2.gz ZKHOADKFWRMKQT-HNNXBMFYSA-N -1 1 372.425 2.090 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000833994948 605566905 /nfs/dbraw/zinc/56/69/05/605566905.db2.gz FRFGWOOMLXEBOP-KRWDZBQOSA-N -1 1 360.458 2.085 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)C[C@H](NC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000826057391 605573491 /nfs/dbraw/zinc/57/34/91/605573491.db2.gz IHAZWNREYQENKS-UXLLHSPISA-N -1 1 363.458 2.001 20 0 FEADMM COc1cc(O)cc(NS(=O)(=O)c2cccc3c(C(=O)[O-])nccc32)c1 ZINC000833728648 605596778 /nfs/dbraw/zinc/59/67/78/605596778.db2.gz IVCRUUQPPNGULX-UHFFFAOYSA-N -1 1 374.374 2.448 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000825815927 605598561 /nfs/dbraw/zinc/59/85/61/605598561.db2.gz GIIJTELUFQUBAR-UPJWGTAASA-N -1 1 354.476 2.181 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])c1ccco1 ZINC000827036042 605624674 /nfs/dbraw/zinc/62/46/74/605624674.db2.gz PBHCYDDMORCCJM-KGLIPLIRSA-N -1 1 369.487 2.264 20 0 FEADMM O=C([O-])NCC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000833777472 605669638 /nfs/dbraw/zinc/66/96/38/605669638.db2.gz SPUGZVNAAUDAIK-UHFFFAOYSA-N -1 1 352.219 2.423 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CCN1CCC(=O)[O-] ZINC000833623946 605766636 /nfs/dbraw/zinc/76/66/36/605766636.db2.gz SFVIPDXWAXGVHK-YJBOKZPZSA-N -1 1 360.454 2.202 20 0 FEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000834241806 605807420 /nfs/dbraw/zinc/80/74/20/605807420.db2.gz VJGPTDQDTHREFC-GFCCVEGCSA-N -1 1 357.813 2.075 20 0 FEADMM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000833808810 605819702 /nfs/dbraw/zinc/81/97/02/605819702.db2.gz QNPPOFZATKXAMU-UONOGXRCSA-N -1 1 352.435 2.010 20 0 FEADMM O=C([O-])N1CCOC[C@@H]1[C@H]1CCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000834121315 605834864 /nfs/dbraw/zinc/83/48/64/605834864.db2.gz XSLAPRQVQNPUJS-GVDBMIGSSA-N -1 1 357.414 2.227 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC3(C2)CCN(C(=O)[O-])CC3)c1 ZINC000833881243 605861644 /nfs/dbraw/zinc/86/16/44/605861644.db2.gz XLPNYBITAROIIJ-UHFFFAOYSA-N -1 1 372.425 2.246 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000833833196 605890861 /nfs/dbraw/zinc/89/08/61/605890861.db2.gz XAGBHGLIHAFYDV-LALPHHSUSA-N -1 1 351.834 2.423 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)Cc3[nH]nc4ccccc43)cc2C1 ZINC000834012105 605917608 /nfs/dbraw/zinc/91/76/08/605917608.db2.gz HXDXQNYXBWUCEY-UHFFFAOYSA-N -1 1 351.366 2.175 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)c(C(=O)[O-])c1 ZINC000833510954 605940441 /nfs/dbraw/zinc/94/04/41/605940441.db2.gz VOPXVFJFVBJPOZ-HNNXBMFYSA-N -1 1 370.409 2.364 20 0 FEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000834095957 605964386 /nfs/dbraw/zinc/96/43/86/605964386.db2.gz VWXRHKITKUYLAD-UPJWGTAASA-N -1 1 363.380 2.004 20 0 FEADMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000833827006 606014322 /nfs/dbraw/zinc/01/43/22/606014322.db2.gz VIUZSJDDVUALAY-XLIONFOSSA-N -1 1 374.485 2.379 20 0 FEADMM O=C([O-])N[C@H](CC(F)F)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000834138871 606019190 /nfs/dbraw/zinc/01/91/90/606019190.db2.gz VATMEIQFJSEGAP-ZIAGYGMSSA-N -1 1 356.369 2.486 20 0 FEADMM O=C([O-])N1CCC(CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834073418 606093635 /nfs/dbraw/zinc/09/36/35/606093635.db2.gz GITMUDVVEAROMN-AWEZNQCLSA-N -1 1 361.446 2.168 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813596 606137645 /nfs/dbraw/zinc/13/76/45/606137645.db2.gz KJZMBZQZHKECAE-SNVBAGLBSA-N -1 1 369.406 2.063 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813596 606137647 /nfs/dbraw/zinc/13/76/47/606137647.db2.gz KJZMBZQZHKECAE-SNVBAGLBSA-N -1 1 369.406 2.063 20 0 FEADMM Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000822240882 606137750 /nfs/dbraw/zinc/13/77/50/606137750.db2.gz CNRNFKYZWVEAGF-GFCCVEGCSA-N -1 1 369.406 2.199 20 0 FEADMM Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000822240882 606137752 /nfs/dbraw/zinc/13/77/52/606137752.db2.gz CNRNFKYZWVEAGF-GFCCVEGCSA-N -1 1 369.406 2.199 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000820379762 606160784 /nfs/dbraw/zinc/16/07/84/606160784.db2.gz GNSLEPDHNRFPPB-QMMMGPOBSA-N -1 1 369.414 2.093 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000820379762 606160786 /nfs/dbraw/zinc/16/07/86/606160786.db2.gz GNSLEPDHNRFPPB-QMMMGPOBSA-N -1 1 369.414 2.093 20 0 FEADMM CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820020336 606166431 /nfs/dbraw/zinc/16/64/31/606166431.db2.gz FCDJVEIDSRIECQ-ZDUSSCGKSA-N -1 1 354.418 2.162 20 0 FEADMM CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820020336 606166432 /nfs/dbraw/zinc/16/64/32/606166432.db2.gz FCDJVEIDSRIECQ-ZDUSSCGKSA-N -1 1 354.418 2.162 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668131 606172267 /nfs/dbraw/zinc/17/22/67/606172267.db2.gz QAKZPGKTGIMACH-YGRLFVJLSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668131 606172270 /nfs/dbraw/zinc/17/22/70/606172270.db2.gz QAKZPGKTGIMACH-YGRLFVJLSA-N -1 1 370.392 2.354 20 0 FEADMM COC(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821666023 606195027 /nfs/dbraw/zinc/19/50/27/606195027.db2.gz SGVNHZFWCBXJJZ-UHFFFAOYSA-N -1 1 354.326 2.003 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820727577 606195055 /nfs/dbraw/zinc/19/50/55/606195055.db2.gz MTTPSEUCKBGRLR-LKFCYVNXSA-N -1 1 370.392 2.184 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820727577 606195057 /nfs/dbraw/zinc/19/50/57/606195057.db2.gz MTTPSEUCKBGRLR-LKFCYVNXSA-N -1 1 370.392 2.184 20 0 FEADMM CCCN(CC1CC1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821095067 606203668 /nfs/dbraw/zinc/20/36/68/606203668.db2.gz WTBNBZWUOYVVCN-UHFFFAOYSA-N -1 1 358.446 2.165 20 0 FEADMM CCC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821014527 606224446 /nfs/dbraw/zinc/22/44/46/606224446.db2.gz IIXWYYCTCSDPGE-JTQLQIEISA-N -1 1 357.418 2.191 20 0 FEADMM CCC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821014527 606224448 /nfs/dbraw/zinc/22/44/48/606224448.db2.gz IIXWYYCTCSDPGE-JTQLQIEISA-N -1 1 357.418 2.191 20 0 FEADMM CCC[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821014528 606224569 /nfs/dbraw/zinc/22/45/69/606224569.db2.gz IIXWYYCTCSDPGE-SNVBAGLBSA-N -1 1 357.418 2.191 20 0 FEADMM CCC[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821014528 606224570 /nfs/dbraw/zinc/22/45/70/606224570.db2.gz IIXWYYCTCSDPGE-SNVBAGLBSA-N -1 1 357.418 2.191 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823792473 606244910 /nfs/dbraw/zinc/24/49/10/606244910.db2.gz UTAPYSFKFPJHSN-CQSZACIVSA-N -1 1 366.425 2.189 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823792473 606244912 /nfs/dbraw/zinc/24/49/12/606244912.db2.gz UTAPYSFKFPJHSN-CQSZACIVSA-N -1 1 366.425 2.189 20 0 FEADMM CC(C)c1noc2ncc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc21 ZINC000820211393 606297555 /nfs/dbraw/zinc/29/75/55/606297555.db2.gz KZWAGYDMAJYWEZ-UHFFFAOYSA-N -1 1 365.353 2.484 20 0 FEADMM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000821346794 606297604 /nfs/dbraw/zinc/29/76/04/606297604.db2.gz PYSMKDFJMJJWKM-QMMMGPOBSA-N -1 1 360.399 2.379 20 0 FEADMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)NC1=S ZINC000822361897 606394004 /nfs/dbraw/zinc/39/40/04/606394004.db2.gz KIKALLVXFMBGRJ-DHZHZOJOSA-N -1 1 368.447 2.499 20 0 FEADMM COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821690476 606394172 /nfs/dbraw/zinc/39/41/72/606394172.db2.gz NCZPBWGZDYCNPO-HNNXBMFYSA-N -1 1 356.411 2.141 20 0 FEADMM CC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820989183 606404073 /nfs/dbraw/zinc/40/40/73/606404073.db2.gz NLCBMHGRBKMOGU-ZDUSSCGKSA-N -1 1 370.438 2.182 20 0 FEADMM CC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820989183 606404074 /nfs/dbraw/zinc/40/40/74/606404074.db2.gz NLCBMHGRBKMOGU-ZDUSSCGKSA-N -1 1 370.438 2.182 20 0 FEADMM O=c1[nH]c2ccccc2n1CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000823656982 606430151 /nfs/dbraw/zinc/43/01/51/606430151.db2.gz LDJWRJXKZNXRCH-UHFFFAOYSA-N -1 1 362.806 2.144 20 0 FEADMM O=c1[nH]c2ccccc2n1CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000823656982 606430152 /nfs/dbraw/zinc/43/01/52/606430152.db2.gz LDJWRJXKZNXRCH-UHFFFAOYSA-N -1 1 362.806 2.144 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(C)CCOCC1 ZINC000822535081 606605404 /nfs/dbraw/zinc/60/54/04/606605404.db2.gz GFGQBWUTJSJCKE-UHFFFAOYSA-N -1 1 370.413 2.105 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(C)CCOCC1 ZINC000822535081 606605406 /nfs/dbraw/zinc/60/54/06/606605406.db2.gz GFGQBWUTJSJCKE-UHFFFAOYSA-N -1 1 370.413 2.105 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823436467 606647594 /nfs/dbraw/zinc/64/75/94/606647594.db2.gz WSQAYUYBWWVQGL-RYUDHWBXSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823436467 606647595 /nfs/dbraw/zinc/64/75/95/606647595.db2.gz WSQAYUYBWWVQGL-RYUDHWBXSA-N -1 1 357.320 2.387 20 0 FEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000821786691 606650434 /nfs/dbraw/zinc/65/04/34/606650434.db2.gz HSUHMMLOYJLEQS-GQCTYLIASA-N -1 1 367.365 2.036 20 0 FEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000821786691 606650435 /nfs/dbraw/zinc/65/04/35/606650435.db2.gz HSUHMMLOYJLEQS-GQCTYLIASA-N -1 1 367.365 2.036 20 0 FEADMM CC(C)(C)c1nc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000819965339 606651846 /nfs/dbraw/zinc/65/18/46/606651846.db2.gz CATZWJSVFHNCEF-UHFFFAOYSA-N -1 1 358.427 2.302 20 0 FEADMM CC(C)(C)c1nc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000819965339 606651847 /nfs/dbraw/zinc/65/18/47/606651847.db2.gz CATZWJSVFHNCEF-UHFFFAOYSA-N -1 1 358.427 2.302 20 0 FEADMM CSc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(Cl)cc1Cl ZINC000821976639 606764363 /nfs/dbraw/zinc/76/43/63/606764363.db2.gz CEWFZQFZJMVINN-UHFFFAOYSA-N -1 1 370.225 2.363 20 0 FEADMM CC(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820038824 606843334 /nfs/dbraw/zinc/84/33/34/606843334.db2.gz SKNSLHRTTCFIOZ-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820606959 606867506 /nfs/dbraw/zinc/86/75/06/606867506.db2.gz HEDJTTSLKGDKMC-UHFFFAOYSA-N -1 1 373.413 2.492 20 0 FEADMM O=C(OCCc1ccc2c(c1)OCCO2)c1sccc1-c1nn[n-]n1 ZINC000823410188 606930921 /nfs/dbraw/zinc/93/09/21/606930921.db2.gz QPFZNXFOZTWWDN-UHFFFAOYSA-N -1 1 358.379 2.099 20 0 FEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820231012 607045248 /nfs/dbraw/zinc/04/52/48/607045248.db2.gz AALPMKZJXMRDID-GWCFXTLKSA-N -1 1 351.370 2.327 20 0 FEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820231012 607045249 /nfs/dbraw/zinc/04/52/49/607045249.db2.gz AALPMKZJXMRDID-GWCFXTLKSA-N -1 1 351.370 2.327 20 0 FEADMM C[C@H](O)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820473839 607060053 /nfs/dbraw/zinc/06/00/53/607060053.db2.gz MRULNKDIQPUXSV-WCQYABFASA-N -1 1 357.439 2.213 20 0 FEADMM C[C@H](O)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820473839 607060054 /nfs/dbraw/zinc/06/00/54/607060054.db2.gz MRULNKDIQPUXSV-WCQYABFASA-N -1 1 357.439 2.213 20 0 FEADMM O=C(CCCOCCc1ccccc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958746 607110221 /nfs/dbraw/zinc/11/02/21/607110221.db2.gz FPIFZWLWSGYPAK-UHFFFAOYSA-N -1 1 358.427 2.301 20 0 FEADMM O=C(CCCOCCc1ccccc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958746 607110223 /nfs/dbraw/zinc/11/02/23/607110223.db2.gz FPIFZWLWSGYPAK-UHFFFAOYSA-N -1 1 358.427 2.301 20 0 FEADMM CC[C@H](C)N(OC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000810602231 674552647 /nfs/dbraw/zinc/55/26/47/674552647.db2.gz NPCGGIBQKZWVRO-VIFPVBQESA-N -1 1 369.270 2.460 20 0 FEADMM c1cnc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(-c2nnn[n-]2)n1 ZINC000823808773 607175313 /nfs/dbraw/zinc/17/53/13/607175313.db2.gz FJZIRFUTUXEULF-LLVKDONJSA-N -1 1 368.470 2.376 20 0 FEADMM c1cnc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(-c2nn[n-]n2)n1 ZINC000823808773 607175314 /nfs/dbraw/zinc/17/53/14/607175314.db2.gz FJZIRFUTUXEULF-LLVKDONJSA-N -1 1 368.470 2.376 20 0 FEADMM Cc1cc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n[nH]1 ZINC000822211935 607217034 /nfs/dbraw/zinc/21/70/34/607217034.db2.gz UMXGDRKWPXEALH-UHFFFAOYSA-N -1 1 362.353 2.338 20 0 FEADMM Cc1cc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n[nH]1 ZINC000822211935 607217035 /nfs/dbraw/zinc/21/70/35/607217035.db2.gz UMXGDRKWPXEALH-UHFFFAOYSA-N -1 1 362.353 2.338 20 0 FEADMM Cc1ccc(C)c(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826284682 607874911 /nfs/dbraw/zinc/87/49/11/607874911.db2.gz BDBURKUIHVGJPM-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1ccc(C)c(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826284682 607874912 /nfs/dbraw/zinc/87/49/12/607874912.db2.gz BDBURKUIHVGJPM-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM O[C@H](COCc1ccccc1F)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826504370 607875026 /nfs/dbraw/zinc/87/50/26/607875026.db2.gz USKRRTBZLGHKTR-GFCCVEGCSA-N -1 1 362.336 2.101 20 0 FEADMM O[C@H](COCc1ccccc1F)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826504370 607875027 /nfs/dbraw/zinc/87/50/27/607875027.db2.gz USKRRTBZLGHKTR-GFCCVEGCSA-N -1 1 362.336 2.101 20 0 FEADMM COC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1cccc(C)c1 ZINC000826103821 607899298 /nfs/dbraw/zinc/89/92/98/607899298.db2.gz LOZSXXGALZEZRX-CQSZACIVSA-N -1 1 352.398 2.014 20 0 FEADMM COC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1cccc(C)c1 ZINC000826103821 607899299 /nfs/dbraw/zinc/89/92/99/607899299.db2.gz LOZSXXGALZEZRX-CQSZACIVSA-N -1 1 352.398 2.014 20 0 FEADMM Cn1c(COc2ccccc2)nnc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000826355776 607902303 /nfs/dbraw/zinc/90/23/03/607902303.db2.gz MYYYYVGVPPXHSP-UHFFFAOYSA-N -1 1 366.410 2.120 20 0 FEADMM Cn1c(COc2ccccc2)nnc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000826355776 607902304 /nfs/dbraw/zinc/90/23/04/607902304.db2.gz MYYYYVGVPPXHSP-UHFFFAOYSA-N -1 1 366.410 2.120 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([S@](C)=O)cc1 ZINC000824513258 607910277 /nfs/dbraw/zinc/91/02/77/607910277.db2.gz ALDRTPGXEKWYFF-VHMAXNEBSA-N -1 1 361.452 2.157 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc([S@](C)=O)cc1 ZINC000824513258 607910278 /nfs/dbraw/zinc/91/02/78/607910278.db2.gz ALDRTPGXEKWYFF-VHMAXNEBSA-N -1 1 361.452 2.157 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([S@@](C)=O)cc1 ZINC000824513254 607910280 /nfs/dbraw/zinc/91/02/80/607910280.db2.gz ALDRTPGXEKWYFF-MXUQEVIESA-N -1 1 361.452 2.157 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc([S@@](C)=O)cc1 ZINC000824513254 607910281 /nfs/dbraw/zinc/91/02/81/607910281.db2.gz ALDRTPGXEKWYFF-MXUQEVIESA-N -1 1 361.452 2.157 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC12CCC(CC1)C2 ZINC000826233189 607945042 /nfs/dbraw/zinc/94/50/42/607945042.db2.gz WZVRHEDCGQIRBJ-UHFFFAOYSA-N -1 1 370.457 2.213 20 0 FEADMM COc1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1F ZINC000826214378 608066548 /nfs/dbraw/zinc/06/65/48/608066548.db2.gz JWNMMCJWUDFBOE-UHFFFAOYSA-N -1 1 359.365 2.218 20 0 FEADMM COc1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1F ZINC000826214378 608066549 /nfs/dbraw/zinc/06/65/49/608066549.db2.gz JWNMMCJWUDFBOE-UHFFFAOYSA-N -1 1 359.365 2.218 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nnc2n1CCCCC2 ZINC000824670582 608173179 /nfs/dbraw/zinc/17/31/79/608173179.db2.gz RRQFZSRDNJNXEE-ZETCQYMHSA-N -1 1 365.854 2.468 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nnc2n1CCCCC2 ZINC000824670582 608173181 /nfs/dbraw/zinc/17/31/81/608173181.db2.gz RRQFZSRDNJNXEE-ZETCQYMHSA-N -1 1 365.854 2.468 20 0 FEADMM O=C(Nc1cccnc1OCC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826457702 608252243 /nfs/dbraw/zinc/25/22/43/608252243.db2.gz MIJMIEUUWMFAHK-UHFFFAOYSA-N -1 1 352.326 2.219 20 0 FEADMM O=C(Nc1cccnc1OCC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826457702 608252245 /nfs/dbraw/zinc/25/22/45/608252245.db2.gz MIJMIEUUWMFAHK-UHFFFAOYSA-N -1 1 352.326 2.219 20 0 FEADMM CCCOC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000825338769 608276843 /nfs/dbraw/zinc/27/68/43/608276843.db2.gz HINGYSGOWSCJTE-OAHLLOKOSA-N -1 1 367.365 2.113 20 0 FEADMM CCCOC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000825338769 608276844 /nfs/dbraw/zinc/27/68/44/608276844.db2.gz HINGYSGOWSCJTE-OAHLLOKOSA-N -1 1 367.365 2.113 20 0 FEADMM Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826294156 608295908 /nfs/dbraw/zinc/29/59/08/608295908.db2.gz KIPYYTALOPRRFQ-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826523611 608297059 /nfs/dbraw/zinc/29/70/59/608297059.db2.gz ROLQBFJVRBVQPS-ZIAGYGMSSA-N -1 1 365.441 2.453 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826523611 608297061 /nfs/dbraw/zinc/29/70/61/608297061.db2.gz ROLQBFJVRBVQPS-ZIAGYGMSSA-N -1 1 365.441 2.453 20 0 FEADMM CCc1csc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000825740313 608365071 /nfs/dbraw/zinc/36/50/71/608365071.db2.gz RIOAHRVYXDZXLV-UHFFFAOYSA-N -1 1 372.458 2.078 20 0 FEADMM Clc1ccc(OC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826352546 608397156 /nfs/dbraw/zinc/39/71/56/608397156.db2.gz FSINEFPNCHEZAQ-LBPRGKRZSA-N -1 1 357.805 2.358 20 0 FEADMM Clc1ccc(OC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826352546 608397158 /nfs/dbraw/zinc/39/71/58/608397158.db2.gz FSINEFPNCHEZAQ-LBPRGKRZSA-N -1 1 357.805 2.358 20 0 FEADMM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367219 608403880 /nfs/dbraw/zinc/40/38/80/608403880.db2.gz PZFIDWTWRVHBKJ-BQBZGAKWSA-N -1 1 367.257 2.224 20 0 FEADMM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367219 608403881 /nfs/dbraw/zinc/40/38/81/608403881.db2.gz PZFIDWTWRVHBKJ-BQBZGAKWSA-N -1 1 367.257 2.224 20 0 FEADMM c1cc(OC2CCCCC2)ncc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826517658 608409177 /nfs/dbraw/zinc/40/91/77/608409177.db2.gz KUKHZBOHAUAXBC-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM c1cc(OC2CCCCC2)ncc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826517658 608409178 /nfs/dbraw/zinc/40/91/78/608409178.db2.gz KUKHZBOHAUAXBC-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM Clc1cnc(Br)c(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826353835 608415231 /nfs/dbraw/zinc/41/52/31/608415231.db2.gz FWCIJXLDEAGBGK-UHFFFAOYSA-N -1 1 354.555 2.260 20 0 FEADMM Clc1cnc(Br)c(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826353835 608415234 /nfs/dbraw/zinc/41/52/34/608415234.db2.gz FWCIJXLDEAGBGK-UHFFFAOYSA-N -1 1 354.555 2.260 20 0 FEADMM CCn1c2ccccc2nc1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825787284 608430346 /nfs/dbraw/zinc/43/03/46/608430346.db2.gz AJDXABZPKATHTK-OAHLLOKOSA-N -1 1 361.413 2.368 20 0 FEADMM CCn1c2ccccc2nc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825787284 608430350 /nfs/dbraw/zinc/43/03/50/608430350.db2.gz AJDXABZPKATHTK-OAHLLOKOSA-N -1 1 361.413 2.368 20 0 FEADMM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824114140 608545218 /nfs/dbraw/zinc/54/52/18/608545218.db2.gz KMNFYPCSQGYQEU-UHFFFAOYSA-N -1 1 366.381 2.469 20 0 FEADMM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824114140 608545219 /nfs/dbraw/zinc/54/52/19/608545219.db2.gz KMNFYPCSQGYQEU-UHFFFAOYSA-N -1 1 366.381 2.469 20 0 FEADMM CC(C)CC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCCC1 ZINC000824235283 608556338 /nfs/dbraw/zinc/55/63/38/608556338.db2.gz FBQOZLRVNRSQEQ-UHFFFAOYSA-N -1 1 374.493 2.170 20 0 FEADMM CC(C)CC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCCC1 ZINC000824235283 608556340 /nfs/dbraw/zinc/55/63/40/608556340.db2.gz FBQOZLRVNRSQEQ-UHFFFAOYSA-N -1 1 374.493 2.170 20 0 FEADMM CCCCC[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825268796 608560508 /nfs/dbraw/zinc/56/05/08/608560508.db2.gz YPDXYVDSNXSTBC-GFCCVEGCSA-N -1 1 362.482 2.170 20 0 FEADMM CCCCC[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825268796 608560510 /nfs/dbraw/zinc/56/05/10/608560510.db2.gz YPDXYVDSNXSTBC-GFCCVEGCSA-N -1 1 362.482 2.170 20 0 FEADMM CON(Cc1ccccc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826166399 609143216 /nfs/dbraw/zinc/14/32/16/609143216.db2.gz JBPQTCGTFABNGI-GFCCVEGCSA-N -1 1 370.413 2.467 20 0 FEADMM CC[C@H](C)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccn1 ZINC000825074399 609259395 /nfs/dbraw/zinc/25/93/95/609259395.db2.gz HXNKUXOSKHVUGZ-JTQLQIEISA-N -1 1 358.427 2.431 20 0 FEADMM CC[C@H](C)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccn1 ZINC000825074399 609259396 /nfs/dbraw/zinc/25/93/96/609259396.db2.gz HXNKUXOSKHVUGZ-JTQLQIEISA-N -1 1 358.427 2.431 20 0 FEADMM O=C(CC[C@@H]1CCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826405577 609288096 /nfs/dbraw/zinc/28/80/96/609288096.db2.gz LDWXZQXBDCSZQT-NSHDSACASA-N -1 1 371.376 2.089 20 0 FEADMM O=C(CCn1cccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409673 609288294 /nfs/dbraw/zinc/28/82/94/609288294.db2.gz KBYZVPAVLVPPGR-UHFFFAOYSA-N -1 1 366.360 2.022 20 0 FEADMM Cc1occc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826342261 609289716 /nfs/dbraw/zinc/28/97/16/609289716.db2.gz CVDYWUHZPVQABD-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM Cc1nscc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826340306 609313580 /nfs/dbraw/zinc/31/35/80/609313580.db2.gz RNOYVSHZEJGSND-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM C[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824941803 609358501 /nfs/dbraw/zinc/35/85/01/609358501.db2.gz ZUPUCBDQORLBQS-NSHDSACASA-N -1 1 370.392 2.455 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](F)C2)c(-c2nn[n-]n2)c1C ZINC000826341613 609374729 /nfs/dbraw/zinc/37/47/29/609374729.db2.gz MBFAINOPWLCSBM-PTOFAABTSA-N -1 1 350.398 2.083 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC2CCCC2)nc1 ZINC000826466997 609400255 /nfs/dbraw/zinc/40/02/55/609400255.db2.gz CIYIMGSGCUZIMG-UHFFFAOYSA-N -1 1 366.381 2.335 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC2CCCC2)nc1 ZINC000826466997 609400257 /nfs/dbraw/zinc/40/02/57/609400257.db2.gz CIYIMGSGCUZIMG-UHFFFAOYSA-N -1 1 366.381 2.335 20 0 FEADMM CCOC(=O)[C@H]1CCC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825499677 609407874 /nfs/dbraw/zinc/40/78/74/609407874.db2.gz QZZLEPIAXDOSGL-MNOVXSKESA-N -1 1 364.427 2.455 20 0 FEADMM CCOC(=O)[C@H]1CCC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825499677 609407876 /nfs/dbraw/zinc/40/78/76/609407876.db2.gz QZZLEPIAXDOSGL-MNOVXSKESA-N -1 1 364.427 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc3ccccc3s2)o1 ZINC000560168441 674570643 /nfs/dbraw/zinc/57/06/43/674570643.db2.gz YAVVGSOAKINJOP-UHFFFAOYSA-N -1 1 350.421 2.332 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1sccc1Cl ZINC000560297093 674575544 /nfs/dbraw/zinc/57/55/44/674575544.db2.gz UUTUXKDBTFGJQI-VIFPVBQESA-N -1 1 361.851 2.493 20 0 FEADMM O=C(NCc1cn(C2CCC2)nn1)c1ccc(Br)cc1[O-] ZINC000640539133 677183214 /nfs/dbraw/zinc/18/32/14/677183214.db2.gz VCTQKYZKUPBDER-UHFFFAOYSA-N -1 1 351.204 2.401 20 0 FEADMM CO[C@@H](CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811888043 674636247 /nfs/dbraw/zinc/63/62/47/674636247.db2.gz FOLFVFFJBMIGIM-NEPJUHHUSA-N -1 1 367.412 2.148 20 0 FEADMM CCc1cccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000812276311 674661113 /nfs/dbraw/zinc/66/11/13/674661113.db2.gz KKPJRYRRUDJDCA-LLVKDONJSA-N -1 1 358.360 2.485 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)cc2)OC)co1 ZINC000812797991 674698822 /nfs/dbraw/zinc/69/88/22/674698822.db2.gz YAZVNXFTXGPDMZ-UHFFFAOYSA-N -1 1 358.803 2.045 20 0 FEADMM O=C1NCCN(Cc2ncccc2[O-])[C@@H]1c1ccccc1C(F)(F)F ZINC000561956443 674710080 /nfs/dbraw/zinc/71/00/80/674710080.db2.gz HUUGAFHOEOCTSB-OAHLLOKOSA-N -1 1 351.328 2.479 20 0 FEADMM O=C(N[C@@H](CO)C1CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000813506393 674753609 /nfs/dbraw/zinc/75/36/09/674753609.db2.gz VQZOJQFNZDABCM-NSHDSACASA-N -1 1 351.200 2.204 20 0 FEADMM CC[C@H](C)CONC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000813826154 674783106 /nfs/dbraw/zinc/78/31/06/674783106.db2.gz MWOXHVGIXFNOKU-BJDJZHNGSA-N -1 1 353.385 2.451 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn([C@H]2CCOC2)c1C)c1ccccc1 ZINC000562714868 674793299 /nfs/dbraw/zinc/79/32/99/674793299.db2.gz XCUNFLPULHMIOK-DOTOQJQBSA-N -1 1 365.455 2.282 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2cccc(Cl)c2F)C(=O)[N-]C1=S ZINC000814341596 674832832 /nfs/dbraw/zinc/83/28/32/674832832.db2.gz HFMRHBPDBLQGRK-DHZHZOJOSA-N -1 1 371.821 2.055 20 0 FEADMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC ZINC000563619671 674918169 /nfs/dbraw/zinc/91/81/69/674918169.db2.gz FTTQGDCTIKMGGI-DGCLKSJQSA-N -1 1 354.428 2.225 20 0 FEADMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC ZINC000563619662 674918214 /nfs/dbraw/zinc/91/82/14/674918214.db2.gz FTTQGDCTIKMGGI-AAEUAGOBSA-N -1 1 354.428 2.225 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000563889474 674950756 /nfs/dbraw/zinc/95/07/56/674950756.db2.gz UABBTLZAMPZANR-MFKMUULPSA-N -1 1 373.190 2.248 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000564656873 675049231 /nfs/dbraw/zinc/04/92/31/675049231.db2.gz XXEBFNXRPKOSAW-SGMGOOAPSA-N -1 1 350.415 2.073 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nc(Br)ccc2F)n1 ZINC000816536405 675063603 /nfs/dbraw/zinc/06/36/03/675063603.db2.gz VMGCRYPEDJKPSJ-UHFFFAOYSA-N -1 1 357.139 2.135 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)OCc1ccccc1 ZINC000007213909 669965852 /nfs/dbraw/zinc/96/58/52/669965852.db2.gz FZPKLCAJKUSXFL-UHFFFAOYSA-N -1 1 359.325 2.126 20 0 FEADMM COC(=O)[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000007330324 669967675 /nfs/dbraw/zinc/96/76/75/669967675.db2.gz LFXQDEXNWPNPRW-LBPRGKRZSA-N -1 1 363.391 2.206 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000007518750 669970455 /nfs/dbraw/zinc/97/04/55/669970455.db2.gz HKDDLIMQTDKFBL-UHFFFAOYSA-N -1 1 361.781 2.391 20 0 FEADMM CC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009770804 669984939 /nfs/dbraw/zinc/98/49/39/669984939.db2.gz PPNXSMHCIDMOCQ-QINSGFPZSA-N -1 1 360.483 2.338 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccccc1OC ZINC000027134846 670076630 /nfs/dbraw/zinc/07/66/30/670076630.db2.gz HFEMXFQWTSZYIR-GFCCVEGCSA-N -1 1 352.412 2.077 20 0 FEADMM O=S(=O)([N-]Cc1ccncc1)c1cc(Br)cnc1Cl ZINC000041066235 670142570 /nfs/dbraw/zinc/14/25/70/670142570.db2.gz DEXUEBWKYCMLTH-UHFFFAOYSA-N -1 1 362.636 2.371 20 0 FEADMM CCOC(=O)C1=C(NC(=O)CSCC#N)[N-]c2ccccc2N=C1C ZINC000041760572 670150822 /nfs/dbraw/zinc/15/08/22/670150822.db2.gz CFUHZWXHIIRKJF-UHFFFAOYSA-N -1 1 358.423 2.352 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)c1Cl ZINC000045797710 670209473 /nfs/dbraw/zinc/20/94/73/670209473.db2.gz XRNOIEBJVPAEHN-UHFFFAOYSA-N -1 1 352.847 2.397 20 0 FEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1=COCCO1 ZINC000047119228 670235218 /nfs/dbraw/zinc/23/52/18/670235218.db2.gz RFYZVVLAGQYBJU-UHFFFAOYSA-N -1 1 360.391 2.314 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)C(C)C)o1 ZINC000051111767 670291950 /nfs/dbraw/zinc/29/19/50/670291950.db2.gz NJYBOQAURHGQRI-INIZCTEOSA-N -1 1 365.407 2.252 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(C(C)C)no1 ZINC000062295759 670399923 /nfs/dbraw/zinc/39/99/23/670399923.db2.gz PSWRWMSCQLHMHL-UHFFFAOYSA-N -1 1 353.400 2.312 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N(C(C)C)C(C)C ZINC000062294703 670400030 /nfs/dbraw/zinc/40/00/30/670400030.db2.gz GTVKRPDKAXCXAA-UHFFFAOYSA-N -1 1 370.471 2.250 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCCC[C@H]1C ZINC000062294796 670400140 /nfs/dbraw/zinc/40/01/40/670400140.db2.gz ZSZNHPVMMMIJIW-CYBMUJFWSA-N -1 1 368.455 2.006 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(N)=O ZINC000066587296 670444427 /nfs/dbraw/zinc/44/44/27/670444427.db2.gz KKKSGXBPQVZSOT-UHFFFAOYSA-N -1 1 358.375 2.001 20 0 FEADMM COCCc1ccc(OCCCC(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066626005 670445357 /nfs/dbraw/zinc/44/53/57/670445357.db2.gz GGSZDVATKMBQNU-UHFFFAOYSA-N -1 1 364.471 2.142 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)n[n-]c1=S ZINC000067074050 670452288 /nfs/dbraw/zinc/45/22/88/670452288.db2.gz LWZGIPQNEIQVLX-LBPRGKRZSA-N -1 1 367.519 2.217 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@H](C)OC[C@@H]2CCCCO2)n[n-]c1=S ZINC000067074983 670452843 /nfs/dbraw/zinc/45/28/43/670452843.db2.gz NNFOUGLONKBMFV-STQMWFEESA-N -1 1 356.492 2.154 20 0 FEADMM CCn1c(CCNC(=O)c2cccn2Cc2ccncc2)n[n-]c1=S ZINC000067075252 670452944 /nfs/dbraw/zinc/45/29/44/670452944.db2.gz USMUTBNGBVOVJS-UHFFFAOYSA-N -1 1 356.455 2.178 20 0 FEADMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000067116717 670453885 /nfs/dbraw/zinc/45/38/85/670453885.db2.gz HPRQVLVBFKZVFR-UHFFFAOYSA-N -1 1 366.355 2.448 20 0 FEADMM NC(=O)c1ccc(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)cn1 ZINC000569126130 670514100 /nfs/dbraw/zinc/51/41/00/670514100.db2.gz YFAXVURQMVYQKI-UHFFFAOYSA-N -1 1 356.769 2.018 20 0 FEADMM CC(C)CCc1noc(CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)n1 ZINC000569312490 670540400 /nfs/dbraw/zinc/54/04/00/670540400.db2.gz NJAMQAZTFMWWON-UHFFFAOYSA-N -1 1 361.427 2.417 20 0 FEADMM CC(C)CCc1noc(CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)n1 ZINC000569312490 670540404 /nfs/dbraw/zinc/54/04/04/670540404.db2.gz NJAMQAZTFMWWON-UHFFFAOYSA-N -1 1 361.427 2.417 20 0 FEADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(C)nn(COC)c1C)C(F)(F)F ZINC000569337330 670545584 /nfs/dbraw/zinc/54/55/84/670545584.db2.gz SZAZIMZCVNRFDU-PELKAZGASA-N -1 1 357.398 2.359 20 0 FEADMM CCOC(=O)CCCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817294042 675118571 /nfs/dbraw/zinc/11/85/71/675118571.db2.gz PCKPUXQRMLTWSX-ZDUSSCGKSA-N -1 1 358.360 2.440 20 0 FEADMM Cc1c(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cnn1C ZINC000817293446 675118618 /nfs/dbraw/zinc/11/86/18/675118618.db2.gz LWRMGUGCLLDEIE-AWEZNQCLSA-N -1 1 352.360 2.338 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000078400017 670586141 /nfs/dbraw/zinc/58/61/41/670586141.db2.gz GWZMHFIFSFHMDR-UHFFFAOYSA-N -1 1 356.407 2.458 20 0 FEADMM Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000079720089 670610366 /nfs/dbraw/zinc/61/03/66/670610366.db2.gz ZXNBDXTULIRZIP-UHFFFAOYSA-N -1 1 350.806 2.151 20 0 FEADMM O=C1CCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000569817264 670618213 /nfs/dbraw/zinc/61/82/13/670618213.db2.gz HTMPNMPZLCWATP-UHFFFAOYSA-N -1 1 355.218 2.033 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCC2(c3cccs3)CCCCC2)s1 ZINC000080417371 670624711 /nfs/dbraw/zinc/62/47/11/670624711.db2.gz QGWFUXSAJRNHNK-NSHDSACASA-N -1 1 351.497 2.413 20 0 FEADMM CNC(=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000565497695 675127157 /nfs/dbraw/zinc/12/71/57/675127157.db2.gz BMIUZQJJVYCBOB-UHFFFAOYSA-N -1 1 374.796 2.456 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)cc1-c1cnn(C)c1)C1CC1 ZINC000570332084 670698245 /nfs/dbraw/zinc/69/82/45/670698245.db2.gz FPLWRQFKYXLCES-MRXNPFEDSA-N -1 1 353.419 2.393 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCCO1)C(F)(F)F ZINC000817490184 675138253 /nfs/dbraw/zinc/13/82/53/675138253.db2.gz OBYTUXMLFDDDAE-GXTWGEPZSA-N -1 1 356.344 2.192 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CO1 ZINC000817489831 675138319 /nfs/dbraw/zinc/13/83/19/675138319.db2.gz GZBVRTKNVBMQOH-WXHSDQCUSA-N -1 1 356.344 2.048 20 0 FEADMM COc1cccc(C2(C[N-]S(=O)(=O)c3c(N)noc3C)CCCC2)c1 ZINC000571245950 670840754 /nfs/dbraw/zinc/84/07/54/670840754.db2.gz ASFGMJXQMQZWNO-UHFFFAOYSA-N -1 1 365.455 2.364 20 0 FEADMM CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000571435339 670874761 /nfs/dbraw/zinc/87/47/61/670874761.db2.gz APRUTPKCYHNAPR-UHFFFAOYSA-N -1 1 366.395 2.179 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC2CC2)c(F)cc1Br ZINC000115578651 670898558 /nfs/dbraw/zinc/89/85/58/670898558.db2.gz RVFHMYKIKAABNW-UHFFFAOYSA-N -1 1 366.208 2.063 20 0 FEADMM O=C([O-])[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000565838666 675155229 /nfs/dbraw/zinc/15/52/29/675155229.db2.gz QCNOEUBZSOGTCG-QWHCGFSZSA-N -1 1 350.216 2.472 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2SC)no1 ZINC000573490370 671129292 /nfs/dbraw/zinc/12/92/92/671129292.db2.gz QQVNFLUISMOUNW-SNVBAGLBSA-N -1 1 357.457 2.368 20 0 FEADMM O=C(NCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)C1CCCC1 ZINC000574146885 671207476 /nfs/dbraw/zinc/20/74/76/671207476.db2.gz OGNBTCFPLQNLFQ-UHFFFAOYSA-N -1 1 365.430 2.296 20 0 FEADMM O=C(NCCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1)C1CCCC1 ZINC000574146885 671207481 /nfs/dbraw/zinc/20/74/81/671207481.db2.gz OGNBTCFPLQNLFQ-UHFFFAOYSA-N -1 1 365.430 2.296 20 0 FEADMM COCCN(C)S(=O)(=O)[N-]c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000574920101 671286334 /nfs/dbraw/zinc/28/63/34/671286334.db2.gz YZFGAFQHXYLOSJ-UHFFFAOYSA-N -1 1 352.460 2.032 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)CC23CCC(CC2)C3)C2CCOCC2)n1 ZINC000574996883 671291589 /nfs/dbraw/zinc/29/15/89/671291589.db2.gz UIPHWLAWLMOVOO-GNHJJJEISA-N -1 1 369.487 2.345 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl)C1CC1 ZINC000566212022 675194135 /nfs/dbraw/zinc/19/41/35/675194135.db2.gz RUKZMIMXZKQNSH-AWEZNQCLSA-N -1 1 360.863 2.209 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)OC)c1cccc(C)c1C ZINC000576931998 671405494 /nfs/dbraw/zinc/40/54/94/671405494.db2.gz DYFSAYJIIZLVSM-OAHLLOKOSA-N -1 1 357.472 2.252 20 0 FEADMM COCC(=O)Nc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000577304699 671586470 /nfs/dbraw/zinc/58/64/70/671586470.db2.gz KHRDLUKDJYBKEG-UHFFFAOYSA-N -1 1 350.321 2.185 20 0 FEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CO1 ZINC000577950253 671630482 /nfs/dbraw/zinc/63/04/82/671630482.db2.gz ZFZFPUIZDOIXCV-RNFRBKRXSA-N -1 1 356.188 2.183 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000578291763 671654258 /nfs/dbraw/zinc/65/42/58/671654258.db2.gz JTBNDRTWANSFNQ-UHFFFAOYSA-N -1 1 360.317 2.012 20 0 FEADMM Nc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000578529878 671672034 /nfs/dbraw/zinc/67/20/34/671672034.db2.gz KUWGGRGFVAIJKY-MRVPVSSYSA-N -1 1 367.203 2.140 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C)nn2c1 ZINC000579285476 671724729 /nfs/dbraw/zinc/72/47/29/671724729.db2.gz NNNNRMKWBPKTNP-UHFFFAOYSA-N -1 1 359.411 2.052 20 0 FEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000579364946 671730556 /nfs/dbraw/zinc/73/05/56/671730556.db2.gz GMYTZRGJLGYJKN-CHWSQXEVSA-N -1 1 351.790 2.454 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC000123582855 671981929 /nfs/dbraw/zinc/98/19/29/671981929.db2.gz NIEHFWRUIIKTQM-KRWDZBQOSA-N -1 1 368.499 2.401 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000125713906 672015611 /nfs/dbraw/zinc/01/56/11/672015611.db2.gz HUWCYRIECXUQFN-INIZCTEOSA-N -1 1 356.463 2.450 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)n1 ZINC000128746334 672052395 /nfs/dbraw/zinc/05/23/95/672052395.db2.gz KZQYVKCTQTWGKM-UHFFFAOYSA-N -1 1 354.453 2.044 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC)o1 ZINC000610488065 675975437 /nfs/dbraw/zinc/97/54/37/675975437.db2.gz RMINGXRUJOHKPE-UHFFFAOYSA-N -1 1 353.396 2.252 20 0 FEADMM Cc1ccc(Sc2nc(=NC(=O)N[C@@H](C)c3nnc[nH]3)s[n-]2)cc1 ZINC000583233350 672075778 /nfs/dbraw/zinc/07/57/78/672075778.db2.gz DIMIRXJYKBHHLG-VIFPVBQESA-N -1 1 361.456 2.420 20 0 FEADMM O=C(Nc1cc(I)ccc1O)c1cncc([O-])c1 ZINC000610490913 675975682 /nfs/dbraw/zinc/97/56/82/675975682.db2.gz MHRWDHPGYLSUIW-UHFFFAOYSA-N -1 1 356.119 2.350 20 0 FEADMM Cc1cc(C(=O)OCCc2c(C)nc3[n-]cnn3c2=O)c(Cl)cc1F ZINC000130632078 672077662 /nfs/dbraw/zinc/07/76/62/672077662.db2.gz LORFCCVVLBFVOV-UHFFFAOYSA-N -1 1 364.764 2.226 20 0 FEADMM Cc1cccc(Br)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000583416884 672092464 /nfs/dbraw/zinc/09/24/64/672092464.db2.gz ZWZWIZOZTWKRNN-SNVBAGLBSA-N -1 1 350.220 2.290 20 0 FEADMM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000132774847 672101652 /nfs/dbraw/zinc/10/16/52/672101652.db2.gz KGCMTNHQENLXIA-CQSZACIVSA-N -1 1 359.806 2.500 20 0 FEADMM C[C@@H](CO)[C@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000583595756 672109976 /nfs/dbraw/zinc/10/99/76/672109976.db2.gz GSGFLZVERQRAKQ-IUCAKERBSA-N -1 1 353.216 2.450 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1ccnc1)c1cc2ccccc2o1 ZINC000133958296 672117346 /nfs/dbraw/zinc/11/73/46/672117346.db2.gz UHTCIFJEXWCAGZ-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM COC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000135114488 672129750 /nfs/dbraw/zinc/12/97/50/672129750.db2.gz VXHIJUHDRNZBSK-UHFFFAOYSA-N -1 1 357.657 2.201 20 0 FEADMM COc1cc(C(=O)NC2CCN(c3ncccn3)CC2)cc(Cl)c1[O-] ZINC000153581901 672201124 /nfs/dbraw/zinc/20/11/24/672201124.db2.gz XWDAEXADZICDAL-UHFFFAOYSA-N -1 1 362.817 2.243 20 0 FEADMM CCOc1ccccc1C(F)(F)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155498360 672234474 /nfs/dbraw/zinc/23/44/74/672234474.db2.gz WULFUOZNYAMCHQ-LLVKDONJSA-N -1 1 351.357 2.096 20 0 FEADMM O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155631688 672236575 /nfs/dbraw/zinc/23/65/75/672236575.db2.gz RIHTYIZPBSIENU-NSHDSACASA-N -1 1 357.805 2.059 20 0 FEADMM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1cc2ccccc2o1 ZINC000155949039 672240598 /nfs/dbraw/zinc/24/05/98/672240598.db2.gz SHJNYJCZZVCXFG-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM O=C([N-]NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000160684863 672292787 /nfs/dbraw/zinc/29/27/87/672292787.db2.gz BUPZUCLGEOXIGU-UHFFFAOYSA-N -1 1 371.702 2.157 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3c2cccc3Cl)c1 ZINC000679113569 672466974 /nfs/dbraw/zinc/46/69/74/672466974.db2.gz ABZHOHAOEPKNFJ-GFCCVEGCSA-N -1 1 366.826 2.362 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cn3ccccc3n2)c(F)c1 ZINC000588673369 672470143 /nfs/dbraw/zinc/47/01/43/672470143.db2.gz SHWWUQLFPLWZGV-UHFFFAOYSA-N -1 1 353.350 2.100 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000588902339 672491097 /nfs/dbraw/zinc/49/10/97/672491097.db2.gz SBQFERGEXSIQBO-LBPRGKRZSA-N -1 1 351.346 2.401 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1Cl ZINC000185104012 672519420 /nfs/dbraw/zinc/51/94/20/672519420.db2.gz HCKGNEAIZAZRDF-JQWIXIFHSA-N -1 1 372.874 2.250 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn(CC3CC3)c2)CCCCC1 ZINC000589964104 672550316 /nfs/dbraw/zinc/55/03/16/672550316.db2.gz MYOOEOAVTJVECP-UHFFFAOYSA-N -1 1 355.460 2.158 20 0 FEADMM O=C(CNC(=O)NC1CCCCC1)Nc1nc(Br)ccc1[O-] ZINC000188339169 672588696 /nfs/dbraw/zinc/58/86/96/672588696.db2.gz YRSOVRGNSOUGIA-UHFFFAOYSA-N -1 1 371.235 2.120 20 0 FEADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000681363446 672652934 /nfs/dbraw/zinc/65/29/34/672652934.db2.gz JRDSELWVBJRXPC-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2scc(C(=O)OC)c2C)CC1 ZINC000591257837 672662562 /nfs/dbraw/zinc/66/25/62/672662562.db2.gz VYDSDOUKQOLQBI-UHFFFAOYSA-N -1 1 361.441 2.071 20 0 FEADMM CCc1csc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000591368367 672676445 /nfs/dbraw/zinc/67/64/45/672676445.db2.gz QEHJHMBXFCVQJM-UHFFFAOYSA-N -1 1 355.423 2.340 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1coc(C2CC2)n1 ZINC000681636645 672685255 /nfs/dbraw/zinc/68/52/55/672685255.db2.gz LYDJGFDZTNTNIN-LBPRGKRZSA-N -1 1 362.752 2.377 20 0 FEADMM O=S(=O)([N-]CCc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1F ZINC000192676321 672698058 /nfs/dbraw/zinc/69/80/58/672698058.db2.gz FVCHYRMUIOKJFP-UHFFFAOYSA-N -1 1 373.352 2.396 20 0 FEADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)COC4)ccc21 ZINC000591683514 672701776 /nfs/dbraw/zinc/70/17/76/672701776.db2.gz CAYNTMFFEAZOTC-UHFFFAOYSA-N -1 1 358.419 2.427 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1nccs1 ZINC000682746568 672788154 /nfs/dbraw/zinc/78/81/54/672788154.db2.gz AAXUDIDCLJIHNN-UHFFFAOYSA-N -1 1 366.251 2.367 20 0 FEADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2Cl)cn1 ZINC000592353542 672790904 /nfs/dbraw/zinc/79/09/04/672790904.db2.gz DZJMZWOVHDZJEJ-UHFFFAOYSA-N -1 1 357.819 2.127 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C23CC(c4ccccc4)(C2)C3)c1 ZINC000682927753 672799859 /nfs/dbraw/zinc/79/98/59/672799859.db2.gz HTHDYQOGAVLIMQ-UHFFFAOYSA-N -1 1 358.419 2.100 20 0 FEADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cn1 ZINC000592990553 672861543 /nfs/dbraw/zinc/86/15/43/672861543.db2.gz KBNBUWDNQDROGD-UHFFFAOYSA-N -1 1 362.455 2.136 20 0 FEADMM O=C(c1ncc2ccccc2c1[O-])N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000612106626 676068993 /nfs/dbraw/zinc/06/89/93/676068993.db2.gz HAXUMRLJYPWCNB-LSDHHAIUSA-N -1 1 360.435 2.122 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CCCOCC1 ZINC000683872453 672880692 /nfs/dbraw/zinc/88/06/92/672880692.db2.gz WTMIJKMKHNKFGK-NOZJJQNGSA-N -1 1 353.785 2.015 20 0 FEADMM Cn1nncc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000684578402 672944951 /nfs/dbraw/zinc/94/49/51/672944951.db2.gz PEKQTKMOPYFFCK-SNVBAGLBSA-N -1 1 354.741 2.050 20 0 FEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000593630921 672964824 /nfs/dbraw/zinc/96/48/24/672964824.db2.gz BPKRFPLXRZUARF-RXMQYKEDSA-N -1 1 350.220 2.234 20 0 FEADMM NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684871252 672973095 /nfs/dbraw/zinc/97/30/95/672973095.db2.gz ZGKARUNVROBEMV-UHFFFAOYSA-N -1 1 374.340 2.452 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)c1ccccc1 ZINC000295663815 673007912 /nfs/dbraw/zinc/00/79/12/673007912.db2.gz INZFPYGQCPFKIO-IAGOWNOFSA-N -1 1 363.435 2.208 20 0 FEADMM C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000310087488 673024046 /nfs/dbraw/zinc/02/40/46/673024046.db2.gz OSYYILXYPHPESE-GFCCVEGCSA-N -1 1 368.480 2.245 20 0 FEADMM Cc1nnc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)o1 ZINC000685623178 673030037 /nfs/dbraw/zinc/03/00/37/673030037.db2.gz NBZYHBGAGNNOTK-UHFFFAOYSA-N -1 1 363.171 2.324 20 0 FEADMM COc1ccc(OC)c(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000323935880 673044500 /nfs/dbraw/zinc/04/45/00/673044500.db2.gz HWROSPOESDDQFT-UHFFFAOYSA-N -1 1 351.380 2.344 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)[nH]n1 ZINC000325619543 673050295 /nfs/dbraw/zinc/05/02/95/673050295.db2.gz SMGRAALFUHTVBJ-UHFFFAOYSA-N -1 1 352.416 2.130 20 0 FEADMM COCCOCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000327424858 673060195 /nfs/dbraw/zinc/06/01/95/673060195.db2.gz PTACQPKFHOPGQT-UHFFFAOYSA-N -1 1 369.395 2.250 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC2(CC2(F)F)C1 ZINC000594390283 673066479 /nfs/dbraw/zinc/06/64/79/673066479.db2.gz ZUWXDQOOAXDBLZ-UHFFFAOYSA-N -1 1 365.117 2.478 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CS[C@@H](C)C2)c1F ZINC000594462762 673076546 /nfs/dbraw/zinc/07/65/46/673076546.db2.gz GYTIMPFDQYSQSX-CBAPKCEASA-N -1 1 367.851 2.438 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)o1 ZINC000594475873 673082376 /nfs/dbraw/zinc/08/23/76/673082376.db2.gz YJTWHABMJMHLMT-DOMZBBRYSA-N -1 1 357.428 2.082 20 0 FEADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000724128203 673087772 /nfs/dbraw/zinc/08/77/72/673087772.db2.gz KLKRFPFPCAPKRX-CMPLNLGQSA-N -1 1 361.179 2.246 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C)on1)C1CCCCCC1 ZINC000594486117 673089677 /nfs/dbraw/zinc/08/96/77/673089677.db2.gz DGUODAICKFKFDL-HNNXBMFYSA-N -1 1 358.460 2.305 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)sc1C ZINC000333248497 673097968 /nfs/dbraw/zinc/09/79/68/673097968.db2.gz JVGKRJAKPYGFOZ-LLVKDONJSA-N -1 1 372.903 2.366 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1C(F)(F)F ZINC000612814810 676099286 /nfs/dbraw/zinc/09/92/86/676099286.db2.gz DYJNSSLXYMCZBH-JTQLQIEISA-N -1 1 355.320 2.247 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)cn1 ZINC000594706681 673120553 /nfs/dbraw/zinc/12/05/53/673120553.db2.gz VNKDLBDNFGARAV-OAHLLOKOSA-N -1 1 356.444 2.205 20 0 FEADMM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000404139606 673166680 /nfs/dbraw/zinc/16/66/80/673166680.db2.gz HPHSVOVHOMSNMG-GFCCVEGCSA-N -1 1 374.673 2.467 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)c1 ZINC000727356661 673167423 /nfs/dbraw/zinc/16/74/23/673167423.db2.gz FVZFQOASZGHDQF-UHFFFAOYSA-N -1 1 362.407 2.448 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000727354711 673167514 /nfs/dbraw/zinc/16/75/14/673167514.db2.gz GYYPJJOJVORIII-UHFFFAOYSA-N -1 1 350.396 2.081 20 0 FEADMM CN1CC[C@@H](CNC(=O)c2cc(=O)n(C)[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000613128395 676112966 /nfs/dbraw/zinc/11/29/66/676112966.db2.gz KIZZLCGZRXWIRB-MEDUHNTESA-N -1 1 366.824 2.341 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)cc1C ZINC000595316357 673222193 /nfs/dbraw/zinc/22/21/93/673222193.db2.gz BKGURNJWSUFPQE-UHFFFAOYSA-N -1 1 356.425 2.187 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)cc1C ZINC000595327245 673225092 /nfs/dbraw/zinc/22/50/92/673225092.db2.gz NMWPCSWDLWWQOD-LBPRGKRZSA-N -1 1 369.370 2.316 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCCC2)cc1C ZINC000595333416 673226827 /nfs/dbraw/zinc/22/68/27/673226827.db2.gz TVVAILLPFLDYIO-HNNXBMFYSA-N -1 1 373.471 2.230 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000613209498 676117521 /nfs/dbraw/zinc/11/75/21/676117521.db2.gz YZOVNHMCOQSJPP-JSGCOSHPSA-N -1 1 360.382 2.194 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ncccc2F)c1 ZINC000613209141 676117527 /nfs/dbraw/zinc/11/75/27/676117527.db2.gz YNERGERZIWTEQM-UHFFFAOYSA-N -1 1 367.402 2.209 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](C)CC ZINC000462584228 673265919 /nfs/dbraw/zinc/26/59/19/673265919.db2.gz IZURIGBXIONQLB-OQPBUACISA-N -1 1 353.362 2.360 20 0 FEADMM C[C@@H](CN(C)C(=O)c1c(Cl)cccc1Br)c1nn[n-]n1 ZINC000613473392 676130338 /nfs/dbraw/zinc/13/03/38/676130338.db2.gz ZKMROFDKPKNHDU-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM O=C(c1ccccc1SC(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089149 673353474 /nfs/dbraw/zinc/35/34/74/673353474.db2.gz CRBSURCUBNAIRN-SECBINFHSA-N -1 1 359.333 2.025 20 0 FEADMM CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1c[n-]nc1C ZINC000732215107 673357557 /nfs/dbraw/zinc/35/75/57/673357557.db2.gz DKTZMMKIUVVDCX-UHFFFAOYSA-N -1 1 359.201 2.451 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2c(c1)COC2 ZINC000536937898 673382147 /nfs/dbraw/zinc/38/21/47/673382147.db2.gz LZINUDQZDJZDOO-UHFFFAOYSA-N -1 1 350.371 2.480 20 0 FEADMM CCOC(=O)[C@@H](CSC)NC(=O)c1ccc(Br)c([O-])c1 ZINC000928287030 683425799 /nfs/dbraw/zinc/42/57/99/683425799.db2.gz BPONYRGBOPTWFO-SNVBAGLBSA-N -1 1 362.245 2.179 20 0 FEADMM CC(C)Oc1cccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000537850674 673411208 /nfs/dbraw/zinc/41/12/08/673411208.db2.gz YRKPFUHFRXHYDJ-UHFFFAOYSA-N -1 1 364.423 2.008 20 0 FEADMM Cc1ccccc1OCCCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537850202 673411306 /nfs/dbraw/zinc/41/13/06/673411306.db2.gz YUJVRGKZJSITLK-UHFFFAOYSA-N -1 1 364.423 2.146 20 0 FEADMM COc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000538746204 673455427 /nfs/dbraw/zinc/45/54/27/673455427.db2.gz DZIAZEYFPBHMIC-QWRGUYRKSA-N -1 1 356.444 2.209 20 0 FEADMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000735270399 673488488 /nfs/dbraw/zinc/48/84/88/673488488.db2.gz PGNMMRLRCWCVDN-UHFFFAOYSA-N -1 1 368.386 2.491 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)nc2)c1 ZINC000735839733 673504522 /nfs/dbraw/zinc/50/45/22/673504522.db2.gz GFJLJWKYCVWYJV-UHFFFAOYSA-N -1 1 367.402 2.209 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CCCN2C(=O)CCC2=O)c1 ZINC000539799560 673507019 /nfs/dbraw/zinc/50/70/19/673507019.db2.gz OQBOXBKZIZARES-UHFFFAOYSA-N -1 1 369.215 2.331 20 0 FEADMM COCCn1c2ccccc2nc1Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000539994024 673518395 /nfs/dbraw/zinc/51/83/95/673518395.db2.gz KEUSNSGRPJKPPU-UHFFFAOYSA-N -1 1 356.411 2.216 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1F ZINC000540039225 673520820 /nfs/dbraw/zinc/52/08/20/673520820.db2.gz JGEPXUOUZJKCBU-UHFFFAOYSA-N -1 1 350.371 2.050 20 0 FEADMM CCC[C@@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000736430063 673525275 /nfs/dbraw/zinc/52/52/75/673525275.db2.gz XRHPJWYIUCIPSR-LLVKDONJSA-N -1 1 354.455 2.241 20 0 FEADMM COC(=O)CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCOCC1 ZINC000597999524 673528547 /nfs/dbraw/zinc/52/85/47/673528547.db2.gz PGUYMOZHPOKFEI-UHFFFAOYSA-N -1 1 361.316 2.205 20 0 FEADMM COc1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1[N-]S(C)(=O)=O ZINC000541682789 673555034 /nfs/dbraw/zinc/55/50/34/673555034.db2.gz YHKGVYLMJRDPFY-UHFFFAOYSA-N -1 1 366.370 2.027 20 0 FEADMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc(C)c1OC(F)F ZINC000737235484 673556971 /nfs/dbraw/zinc/55/69/71/673556971.db2.gz ZVTMRFDIOQEYNU-UHFFFAOYSA-N -1 1 351.357 2.438 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c1 ZINC000542008639 673559137 /nfs/dbraw/zinc/55/91/37/673559137.db2.gz MJNZTYLNGHARNJ-UHFFFAOYSA-N -1 1 367.354 2.450 20 0 FEADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000542766176 673603636 /nfs/dbraw/zinc/60/36/36/673603636.db2.gz FMZOSSGYUUBRMS-JTQLQIEISA-N -1 1 360.443 2.139 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)c1ccc(F)cc1F ZINC000599239839 673646674 /nfs/dbraw/zinc/64/66/74/673646674.db2.gz SEFIFGIMGQYWFH-LLVKDONJSA-N -1 1 360.338 2.169 20 0 FEADMM Cn1[n-]c(CN(Cc2cc(Br)ccc2F)C2CC2)nc1=O ZINC000543448912 673648074 /nfs/dbraw/zinc/64/80/74/673648074.db2.gz KELHUTSCFCPKRJ-UHFFFAOYSA-N -1 1 355.211 2.175 20 0 FEADMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OC ZINC000599320333 673658433 /nfs/dbraw/zinc/65/84/33/673658433.db2.gz QNRRRBPMENJNNU-JOYOIKCWSA-N -1 1 365.398 2.091 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)c1F ZINC000599337049 673660804 /nfs/dbraw/zinc/66/08/04/673660804.db2.gz RAEBFYTWPSYIPW-SNVBAGLBSA-N -1 1 370.377 2.056 20 0 FEADMM CCOC(=O)CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740923134 673661390 /nfs/dbraw/zinc/66/13/90/673661390.db2.gz HVHWAVRMDKPDRW-UHFFFAOYSA-N -1 1 352.387 2.422 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)s1 ZINC000543729094 673666551 /nfs/dbraw/zinc/66/65/51/673666551.db2.gz VFQFSVILNZEMEK-UHFFFAOYSA-N -1 1 352.466 2.449 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(OC)c(F)c2)o1 ZINC000599426538 673674517 /nfs/dbraw/zinc/67/45/17/673674517.db2.gz IAGHVJPKFFTDAC-UHFFFAOYSA-N -1 1 371.386 2.428 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)o1 ZINC000599467444 673679405 /nfs/dbraw/zinc/67/94/05/673679405.db2.gz YSQVNEQIBYRNPC-COLVAYQJSA-N -1 1 367.810 2.336 20 0 FEADMM O=S(=O)([N-]Cc1ccno1)c1cc(Br)c(F)cc1F ZINC000544653759 673723322 /nfs/dbraw/zinc/72/33/22/673723322.db2.gz USCCSSDDLZPIMI-UHFFFAOYSA-N -1 1 353.144 2.194 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)o1 ZINC000544989987 673742198 /nfs/dbraw/zinc/74/21/98/673742198.db2.gz OFNOPGXPQBRCTR-UHFFFAOYSA-N -1 1 355.322 2.107 20 0 FEADMM O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NCc1nn[n-]n1 ZINC000600496754 673774566 /nfs/dbraw/zinc/77/45/66/673774566.db2.gz VMWALMSFOXCJDT-UHFFFAOYSA-N -1 1 369.237 2.489 20 0 FEADMM O=C(NCc1nn[n-]n1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000600500337 673774583 /nfs/dbraw/zinc/77/45/83/673774583.db2.gz CKXYMTNMWNTSBK-HNNXBMFYSA-N -1 1 361.764 2.429 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc4cnccc43)no2)co1 ZINC000546504092 673801114 /nfs/dbraw/zinc/80/11/14/673801114.db2.gz XQSWXGRGVFSPQC-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000746359426 673874449 /nfs/dbraw/zinc/87/44/49/673874449.db2.gz DITZTBAKSKTHID-UHFFFAOYSA-N -1 1 352.343 2.148 20 0 FEADMM O=C([N-]OCc1cccnc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000746528286 673882902 /nfs/dbraw/zinc/88/29/02/673882902.db2.gz IVAMIEUHIUDIDM-OAHLLOKOSA-N -1 1 359.813 2.332 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H]1CCN(C(C)C)C1=O ZINC000746967386 673899135 /nfs/dbraw/zinc/89/91/35/673899135.db2.gz QEWCWFOTDNPGFF-HNNXBMFYSA-N -1 1 368.455 2.004 20 0 FEADMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(Br)c1[O-] ZINC000548378661 673954322 /nfs/dbraw/zinc/95/43/22/673954322.db2.gz HBGLNYCUJOUKGK-NSHDSACASA-N -1 1 371.275 2.072 20 0 FEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000566359568 675208008 /nfs/dbraw/zinc/20/80/08/675208008.db2.gz JMUPPBMDWBPYCB-SNVBAGLBSA-N -1 1 354.453 2.287 20 0 FEADMM Cc1cnc(SCC(=O)Nc2ccccc2N2CCCC2=O)[n-]c1=O ZINC000566498252 675219388 /nfs/dbraw/zinc/21/93/88/675219388.db2.gz XWKCWBZXRGGCGX-UHFFFAOYSA-N -1 1 358.423 2.348 20 0 FEADMM C[C@@H]1CCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC000566749174 675239619 /nfs/dbraw/zinc/23/96/19/675239619.db2.gz QFRNXLARJKGNMT-ZXIHIIQKSA-N -1 1 369.259 2.192 20 0 FEADMM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000567338006 675285014 /nfs/dbraw/zinc/28/50/14/675285014.db2.gz IOISWDQVGCUVNH-NSHDSACASA-N -1 1 373.931 2.079 20 0 FEADMM COc1ccc2c(c1)N(S(=O)(=O)c1cc(OC)ccc1[O-])C[C@H](C)O2 ZINC000568861801 675406374 /nfs/dbraw/zinc/40/63/74/675406374.db2.gz VWYFULCMPWAJIZ-NSHDSACASA-N -1 1 365.407 2.386 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C(=O)NC(C)(C)C)C(C)C)c1 ZINC000821358090 675429774 /nfs/dbraw/zinc/42/97/74/675429774.db2.gz GLCXGEGFGIVEJG-CPJLOUKISA-N -1 1 369.483 2.285 20 0 FEADMM COC(C)(C)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821674185 675445546 /nfs/dbraw/zinc/44/55/46/675445546.db2.gz WLZLRVZXNBNHKJ-UHFFFAOYSA-N -1 1 362.459 2.016 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1F ZINC000823397000 675550182 /nfs/dbraw/zinc/55/01/82/675550182.db2.gz QNXRKJMLZQKLOR-UHFFFAOYSA-N -1 1 350.306 2.246 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1F ZINC000823397000 675550183 /nfs/dbraw/zinc/55/01/83/675550183.db2.gz QNXRKJMLZQKLOR-UHFFFAOYSA-N -1 1 350.306 2.246 20 0 FEADMM O=C([N-]Cc1ncc2c(n1)CCOC2)C(F)(F)c1cc(F)cc(F)c1 ZINC000824181716 675587709 /nfs/dbraw/zinc/58/77/09/675587709.db2.gz LYBBZQZAOVASEU-UHFFFAOYSA-N -1 1 355.291 2.236 20 0 FEADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CCO1 ZINC000824346224 675596732 /nfs/dbraw/zinc/59/67/32/675596732.db2.gz SEHUEDFHWHCYHK-RQJABVFESA-N -1 1 364.408 2.496 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(F)cc2)n[n-]1 ZINC000824887057 675626761 /nfs/dbraw/zinc/62/67/61/675626761.db2.gz HCXWCPHQLFMUEL-NXEZZACHSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(F)cc2)[n-]1 ZINC000824887057 675626766 /nfs/dbraw/zinc/62/67/66/675626766.db2.gz HCXWCPHQLFMUEL-NXEZZACHSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(F)cc2)n1 ZINC000824887057 675626768 /nfs/dbraw/zinc/62/67/68/675626768.db2.gz HCXWCPHQLFMUEL-NXEZZACHSA-N -1 1 366.418 2.479 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826686448 675700205 /nfs/dbraw/zinc/70/02/05/675700205.db2.gz RHUKUFCPNIOVMQ-HQJQHLMTSA-N -1 1 366.286 2.200 20 0 FEADMM COc1nnc([N-]C(=O)c2nc(C(C)C)ncc2Br)s1 ZINC000827954061 675788680 /nfs/dbraw/zinc/78/86/80/675788680.db2.gz CRALMBMCWQYPBQ-UHFFFAOYSA-N -1 1 358.221 2.475 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000605381299 675812326 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/nfs/dbraw/zinc/63/17/32/677631732.db2.gz ZCEDSXGYBDGDML-LLVKDONJSA-N -1 1 356.304 2.311 20 0 FEADMM O=S(=O)(C[C@H]1CCCCO1)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000655677431 677661666 /nfs/dbraw/zinc/66/16/66/677661666.db2.gz NLVTWBICLBMPHY-HZPDHXFCSA-N -1 1 350.440 2.447 20 0 FEADMM C[C@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C(=O)[O-] ZINC000655861711 677668021 /nfs/dbraw/zinc/66/80/21/677668021.db2.gz SOSMTTHCGYWXRU-IUODEOHRSA-N -1 1 353.850 2.497 20 0 FEADMM C[C@H](CNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000655871796 677668913 /nfs/dbraw/zinc/66/89/13/677668913.db2.gz IVOWJRIOKMSYJI-IXPVHAAZSA-N -1 1 371.840 2.492 20 0 FEADMM C[C@@H](CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC000655877311 677669524 /nfs/dbraw/zinc/66/95/24/677669524.db2.gz WOHWZPKPLGOKDI-GXFFZTMASA-N -1 1 361.364 2.328 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1)[C@@H]1CCOC1 ZINC000656623513 677789439 /nfs/dbraw/zinc/78/94/39/677789439.db2.gz FYSOACSTGYSXHV-MLGOLLRUSA-N -1 1 366.439 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/nfs/dbraw/zinc/87/46/67/677874667.db2.gz XBBXTKINFZMLTJ-NSHDSACASA-N -1 1 351.291 2.408 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccnc2N2CCCC2)sc1C ZINC000657070747 677933849 /nfs/dbraw/zinc/93/38/49/677933849.db2.gz WCENPVJUVWQGCV-UHFFFAOYSA-N -1 1 352.485 2.234 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)CC1CC1)c1sccc1Br ZINC000657183511 677975941 /nfs/dbraw/zinc/97/59/41/677975941.db2.gz RQIDGKNPFFFZPX-VIFPVBQESA-N -1 1 354.291 2.198 20 0 FEADMM COC(OC)[C@@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000839771490 680777966 /nfs/dbraw/zinc/77/79/66/680777966.db2.gz RBSSTCIMZBGVSQ-MRVPVSSYSA-N -1 1 369.215 2.440 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1ccc(F)c(Br)c1F ZINC000663260907 678710597 /nfs/dbraw/zinc/71/05/97/678710597.db2.gz DXXCRAHYPJPSBH-UHFFFAOYSA-N -1 1 374.203 2.132 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCC(C)(C)C2=O)o1 ZINC000840205432 680807268 /nfs/dbraw/zinc/80/72/68/680807268.db2.gz VBJYLTGPSCWGGA-JTQLQIEISA-N -1 1 357.428 2.271 20 0 FEADMM CN1Cc2c(cccc2[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)C1=O ZINC000666313120 679014577 /nfs/dbraw/zinc/01/45/77/679014577.db2.gz DZFTVQNVSXIQSI-UHFFFAOYSA-N -1 1 358.419 2.398 20 0 FEADMM O=C1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCN1 ZINC000668323683 679165713 /nfs/dbraw/zinc/16/57/13/679165713.db2.gz RHHFAKREMKXAAR-QMMMGPOBSA-N -1 1 370.780 2.306 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1c(F)c(F)cc(F)c1F ZINC000669835877 679255551 /nfs/dbraw/zinc/25/55/51/679255551.db2.gz GSTGLSGWCNLHIQ-SECBINFHSA-N -1 1 352.353 2.006 20 0 FEADMM O=C(Cc1cccc(Br)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000670383896 679280509 /nfs/dbraw/zinc/28/05/09/679280509.db2.gz RQFBZILDPBTDSS-LLVKDONJSA-N -1 1 366.215 2.486 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)N1CCCC1 ZINC000671173162 679314257 /nfs/dbraw/zinc/31/42/57/679314257.db2.gz SMYPCVNROJJGEL-AWEZNQCLSA-N -1 1 362.854 2.404 20 0 FEADMM COc1ccc(NC(=O)c2occ3c2CCC3)cc1[N-]S(C)(=O)=O ZINC000671651102 679338707 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COc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)[C@H](C)c2ccccc2)c(F)c1 ZINC000676857861 679645567 /nfs/dbraw/zinc/64/55/67/679645567.db2.gz CRGBUGZOASZHLA-BZNIZROVSA-N -1 1 371.405 2.416 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)cc1 ZINC000747856325 679908088 /nfs/dbraw/zinc/90/80/88/679908088.db2.gz JFYKWHQUYPUUCZ-UHFFFAOYSA-N -1 1 362.407 2.103 20 0 FEADMM O=C([N-]CC1CN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C1)C(F)(F)F ZINC000831117819 679926777 /nfs/dbraw/zinc/92/67/77/679926777.db2.gz WPJSHPWHIBYSES-ZIAGYGMSSA-N -1 1 358.335 2.456 20 0 FEADMM Cc1oc2ccccc2c1CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831130127 679929296 /nfs/dbraw/zinc/92/92/96/679929296.db2.gz QAKZQMKKENDLKX-UHFFFAOYSA-N -1 1 354.328 2.421 20 0 FEADMM Cc1nc(-c2c[nH]c(C(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)c2)cs1 ZINC000831158459 679936644 /nfs/dbraw/zinc/93/66/44/679936644.db2.gz KIULNXWHOIODSV-UHFFFAOYSA-N -1 1 372.372 2.197 20 0 FEADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ncccc1[O-] ZINC000989844410 680031541 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COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)ccc1F ZINC000751553980 680186890 /nfs/dbraw/zinc/18/68/90/680186890.db2.gz STDXVALMHYWSLK-UHFFFAOYSA-N -1 1 363.370 2.300 20 0 FEADMM CC1CCC(NS(=O)(=O)CC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000834828911 680274131 /nfs/dbraw/zinc/27/41/31/680274131.db2.gz DGPKJJPBXXTBBV-UHFFFAOYSA-N -1 1 374.890 2.160 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1C(=O)[O-] ZINC000753773667 680313629 /nfs/dbraw/zinc/31/36/29/680313629.db2.gz XUHRMCCEMIYZRH-UHFFFAOYSA-N -1 1 366.326 2.480 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000912221825 685333373 /nfs/dbraw/zinc/33/33/73/685333373.db2.gz JOCYLNZRUJVXAD-DOTOQJQBSA-N -1 1 353.846 2.415 20 0 FEADMM Cc1cc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc(C)n1 ZINC000754486449 680358835 /nfs/dbraw/zinc/35/88/35/680358835.db2.gz JXNSNOKHNOTRBI-UHFFFAOYSA-N -1 1 367.427 2.120 20 0 FEADMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1nc(Cl)cs1 ZINC000835765845 680380133 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/nfs/dbraw/zinc/21/88/69/684218869.db2.gz QXZOGOROFZUBQH-MRVPVSSYSA-N -1 1 362.329 2.263 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c1C(F)(F)F ZINC000867207077 684225860 /nfs/dbraw/zinc/22/58/60/684225860.db2.gz OFGPQDHIYLYGEN-WDEREUQCSA-N -1 1 363.336 2.412 20 0 FEADMM O=C(N[C@H]1CCCOCC1)c1ccc(I)cc1[O-] ZINC000867238552 684231239 /nfs/dbraw/zinc/23/12/39/684231239.db2.gz VEVMKVOSALMNCA-JTQLQIEISA-N -1 1 361.179 2.296 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@H](C)[C@@H](O)c2ccc(C)cc2)c1 ZINC000867262458 684234649 /nfs/dbraw/zinc/23/46/49/684234649.db2.gz VGGITTYXCRFMQL-SJKOYZFVSA-N -1 1 351.424 2.110 20 0 FEADMM COC(=O)c1cc(Br)c(CN(C)[C@H](C)C(=O)[O-])cc1OC ZINC000923224209 684245233 /nfs/dbraw/zinc/24/52/33/684245233.db2.gz CTNLZFRDGRFZCA-MRVPVSSYSA-N -1 1 360.204 2.149 20 0 FEADMM C[S@@](=O)(=NS(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1)c1ccccc1 ZINC000867457488 684285555 /nfs/dbraw/zinc/28/55/55/684285555.db2.gz HFIOQANDLYKMNW-HJPURHCSSA-N -1 1 372.512 2.183 20 0 FEADMM CC(C)([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)[C@H]1CCCCO1 ZINC000867682383 684351595 /nfs/dbraw/zinc/35/15/95/684351595.db2.gz IHDLMQUPGBTZRD-PEBXRYMYSA-N -1 1 360.501 2.325 20 0 FEADMM O=C(Cc1cnn2c1CCCC2)Nc1nc(Br)ccc1[O-] ZINC000867712470 684358708 /nfs/dbraw/zinc/35/87/08/684358708.db2.gz ALXIENYECFSXIM-UHFFFAOYSA-N -1 1 351.204 2.264 20 0 FEADMM CCOC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(C)cc2Cl)on1 ZINC000867741130 684369395 /nfs/dbraw/zinc/36/93/95/684369395.db2.gz TYPFQJKMSRUNCN-UHFFFAOYSA-N -1 1 358.803 2.292 20 0 FEADMM COC1(C(F)(F)F)CN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000932061630 684399547 /nfs/dbraw/zinc/39/95/47/684399547.db2.gz GYFPOKWJTCLFGF-UHFFFAOYSA-N -1 1 356.304 2.373 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000868142338 684456796 /nfs/dbraw/zinc/45/67/96/684456796.db2.gz GSSDUCJVTHQVJQ-ZENOOKHLSA-N -1 1 355.360 2.395 20 0 FEADMM CS[C@@H]1CC[C@H](NC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000868320583 684480600 /nfs/dbraw/zinc/48/06/00/684480600.db2.gz GJDGOGLGIOAVAE-CWSCBRNRSA-N -1 1 353.410 2.123 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCCC2CCOCC2)C1 ZINC000868655469 684523424 /nfs/dbraw/zinc/52/34/24/684523424.db2.gz PSTAALCLGKFRKX-OAHLLOKOSA-N -1 1 365.396 2.046 20 0 FEADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCCc2sccc21 ZINC000869214090 684594001 /nfs/dbraw/zinc/59/40/01/684594001.db2.gz PVMYZHAYAKMWCU-LBPRGKRZSA-N -1 1 360.439 2.193 20 0 FEADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)c1sccc1-n1cccc1 ZINC000869324089 684604915 /nfs/dbraw/zinc/60/49/15/684604915.db2.gz SPQGRWNNAVUDIB-UHFFFAOYSA-N -1 1 374.340 2.333 20 0 FEADMM CCn1nc(C)c(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)n1 ZINC000869637109 684638188 /nfs/dbraw/zinc/63/81/88/684638188.db2.gz BHSJORQNMQLXLF-UHFFFAOYSA-N -1 1 356.280 2.364 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000869736539 684648699 /nfs/dbraw/zinc/64/86/99/684648699.db2.gz JUBIJUQMPFTRKK-HOCLYGCPSA-N -1 1 367.829 2.301 20 0 FEADMM O=C(COc1cccnc1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870159612 684688655 /nfs/dbraw/zinc/68/86/55/684688655.db2.gz DSORQWXBARBIDW-UHFFFAOYSA-N -1 1 361.829 2.164 20 0 FEADMM CC(=O)OC(C)(C)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163189 684689077 /nfs/dbraw/zinc/68/90/77/684689077.db2.gz YRSJRKSHKIIBHO-UHFFFAOYSA-N -1 1 354.834 2.032 20 0 FEADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163348 684689120 /nfs/dbraw/zinc/68/91/20/684689120.db2.gz ALZAVQZNJDDHLE-CPUCHLNUSA-N -1 1 350.846 2.257 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC2(c3ccc(OC)cc3)CC2)co1 ZINC000870842869 684761787 /nfs/dbraw/zinc/76/17/87/684761787.db2.gz XXIVSUCHJTWJQE-UHFFFAOYSA-N -1 1 351.380 2.042 20 0 FEADMM CCOC(=O)CCc1c(C)nc(SCc2nnc(C)s2)[n-]c1=O ZINC000871692953 684845800 /nfs/dbraw/zinc/84/58/00/684845800.db2.gz WHUJSQMSXPHNGU-UHFFFAOYSA-N -1 1 354.457 2.439 20 0 FEADMM C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC[C@H](C(F)(F)F)O1 ZINC000871756214 684852115 /nfs/dbraw/zinc/85/21/15/684852115.db2.gz VBYOETRZAVXVAO-JOYOIKCWSA-N -1 1 355.316 2.105 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000871871145 684870354 /nfs/dbraw/zinc/87/03/54/684870354.db2.gz OYWUKSSSZXAJQU-CYBMUJFWSA-N -1 1 372.462 2.375 20 0 FEADMM CCCN(CCN1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000871961703 684895038 /nfs/dbraw/zinc/89/50/38/684895038.db2.gz OKZVATJMJHTGKM-UHFFFAOYSA-N -1 1 372.462 2.411 20 0 FEADMM Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C(C)C)C2)c(C)c1C(=O)[O-] ZINC000871971292 684899227 /nfs/dbraw/zinc/89/92/27/684899227.db2.gz MYTNXHLULBTZLL-CQSZACIVSA-N -1 1 354.472 2.105 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CCN2CCCCC2)c1Cl ZINC000871978943 684902036 /nfs/dbraw/zinc/90/20/36/684902036.db2.gz OEIWXNUQBMSADC-UHFFFAOYSA-N -1 1 374.890 2.453 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2CCCN3CCCC[C@H]23)cc(C(=O)[O-])c1F ZINC000871979776 684902235 /nfs/dbraw/zinc/90/22/35/684902235.db2.gz ULKKCDHAMGPCMY-LSDHHAIUSA-N -1 1 370.446 2.128 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc(C(=O)[O-])c1F ZINC000871979773 684902279 /nfs/dbraw/zinc/90/22/79/684902279.db2.gz ULKKCDHAMGPCMY-CABCVRRESA-N -1 1 370.446 2.128 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(C(C)(C)C)n1 ZINC000872005392 684912033 /nfs/dbraw/zinc/91/20/33/684912033.db2.gz GSOJTXAIATWSQV-UHFFFAOYSA-N -1 1 351.354 2.260 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000872439671 684948966 /nfs/dbraw/zinc/94/89/66/684948966.db2.gz LRGUEHMBHIWZHN-PSLXWICFSA-N -1 1 373.544 2.244 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000872464921 684956443 /nfs/dbraw/zinc/95/64/43/684956443.db2.gz ZBQZIMPSWBPDMR-KXMBVRIMSA-N -1 1 356.513 2.303 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC[C@@](C)(O)c1ccccc1 ZINC000872475518 684959532 /nfs/dbraw/zinc/95/95/32/684959532.db2.gz OQKALDASVVOQMQ-QRQCRPRQSA-N -1 1 362.517 2.015 20 0 FEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C(C)(C)O)cc1 ZINC000872478253 684960428 /nfs/dbraw/zinc/96/04/28/684960428.db2.gz SKCZOXZYNUHSRX-JOCHJYFZSA-N -1 1 362.517 2.145 20 0 FEADMM COc1ccccc1C1([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000872500162 684966398 /nfs/dbraw/zinc/96/63/98/684966398.db2.gz IVMVGYSTOSBQKA-JOCHJYFZSA-N -1 1 360.501 2.415 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc2ncccc12 ZINC000872574966 684981542 /nfs/dbraw/zinc/98/15/42/684981542.db2.gz NRFOMPPKRUFVBL-QFIPXVFZSA-N -1 1 355.485 2.466 20 0 FEADMM CC(C)(CNC(=O)NCc1ccc([O-])c(Cl)c1)C1(O)CCOCC1 ZINC000873045308 685058521 /nfs/dbraw/zinc/05/85/21/685058521.db2.gz DCXJYBOYLLHEJI-UHFFFAOYSA-N -1 1 356.850 2.413 20 0 FEADMM CC[C@@H](C(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000911350496 685201203 /nfs/dbraw/zinc/20/12/03/685201203.db2.gz HNOCPZHJMZZGGT-MRXNPFEDSA-N -1 1 367.877 2.079 20 0 FEADMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911438198 685211259 /nfs/dbraw/zinc/21/12/59/685211259.db2.gz DFWDIXCGTHQELN-LBPRGKRZSA-N -1 1 366.845 2.364 20 0 FEADMM C[C@@H]1CN(C(=O)CCSCC(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000911534340 685222337 /nfs/dbraw/zinc/22/23/37/685222337.db2.gz PZBYQVXEWSQGFX-HNNXBMFYSA-N -1 1 350.484 2.175 20 0 FEADMM CC(C)(C)N1C[C@@H](CNC(=O)NCc2ccc([O-])c(Cl)c2)CC1=O ZINC000875748652 686076398 /nfs/dbraw/zinc/07/63/98/686076398.db2.gz RNQILXKGAXNKQG-GFCCVEGCSA-N -1 1 353.850 2.492 20 0 FEADMM CS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876396382 686196445 /nfs/dbraw/zinc/19/64/45/686196445.db2.gz CQVBKJBPDPODQR-LBPRGKRZSA-N -1 1 360.863 2.012 20 0 FEADMM Nc1ncc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000876571521 686222334 /nfs/dbraw/zinc/22/23/34/686222334.db2.gz LPXAZUYXZDCUGD-UHFFFAOYSA-N -1 1 359.451 2.485 20 0 FEADMM O=C(Cc1ccccc1N1CCCC1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000878094683 686519214 /nfs/dbraw/zinc/51/92/14/686519214.db2.gz VTNKHNCVVNDFSW-UHFFFAOYSA-N -1 1 353.304 2.132 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2nccn2CC(F)F)C1)C(F)(F)F ZINC000878629787 686623521 /nfs/dbraw/zinc/62/35/21/686623521.db2.gz KMZJZODLTRBOII-JTQLQIEISA-N -1 1 354.323 2.039 20 0 FEADMM COc1cc(C(=O)NCc2cc(=O)[n-]c(SC)n2)cc2c1O[C@H](C)C2 ZINC000880652863 687071357 /nfs/dbraw/zinc/07/13/57/687071357.db2.gz OUJNKELVGGDJQO-SECBINFHSA-N -1 1 361.423 2.166 20 0 FEADMM CCOC(=O)c1sc([C@H]2CCN(C(=O)c3ncccc3[O-])C2)nc1C ZINC000881707871 687191925 /nfs/dbraw/zinc/19/19/25/687191925.db2.gz GBBDGCZHHRXACU-NSHDSACASA-N -1 1 361.423 2.359 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)OC ZINC000881846791 687232491 /nfs/dbraw/zinc/23/24/91/687232491.db2.gz XMEKPCNZOUEBGL-NSHDSACASA-N -1 1 374.768 2.374 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CCOC1 ZINC000881888370 687247689 /nfs/dbraw/zinc/24/76/89/687247689.db2.gz UTTBGVBSQDUNRG-NSHDSACASA-N -1 1 358.769 2.459 20 0 FEADMM O=S(=O)([N-][C@H](CO)C1CCC1)c1cnc(Cl)cc1C(F)(F)F ZINC000882386974 687358705 /nfs/dbraw/zinc/35/87/05/687358705.db2.gz VDXRNGCBEYZKRP-SECBINFHSA-N -1 1 358.769 2.193 20 0 FEADMM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882398752 687360201 /nfs/dbraw/zinc/36/02/01/687360201.db2.gz IXBPNFNTSSRXKE-QHCPKHFHSA-N -1 1 374.532 2.062 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[C@@H]2CCCC2(F)F)s1 ZINC000882595549 687405108 /nfs/dbraw/zinc/40/51/08/687405108.db2.gz YMOZOMCWWVBZNA-VIFPVBQESA-N -1 1 353.416 2.205 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-]c2cccc(CO)c2Cl)c1C(F)(F)F ZINC000882737963 687464802 /nfs/dbraw/zinc/46/48/02/687464802.db2.gz DTUXDNSPMXEJFE-UHFFFAOYSA-N -1 1 369.752 2.385 20 0 FEADMM O=S(=O)([N-]C1CCC2(COC2)CC1)c1ccc(Br)o1 ZINC000882823127 687503745 /nfs/dbraw/zinc/50/37/45/687503745.db2.gz NDBSTXZQKOKDCL-UHFFFAOYSA-N -1 1 350.234 2.280 20 0 FEADMM O=S(=O)([N-]CCC1CCN(CC(F)(F)F)CC1)c1ccns1 ZINC000885042437 688004783 /nfs/dbraw/zinc/00/47/83/688004783.db2.gz OZUDJGYLDXHJOQ-UHFFFAOYSA-N -1 1 357.423 2.086 20 0 FEADMM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccns2)cc1OC ZINC000885078491 688011986 /nfs/dbraw/zinc/01/19/86/688011986.db2.gz JVUSRITYYUSAPU-LLVKDONJSA-N -1 1 356.469 2.317 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000885383167 688065843 /nfs/dbraw/zinc/06/58/43/688065843.db2.gz NUPOZKROHWSYCY-JGVFFNPUSA-N -1 1 369.306 2.092 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC2(CCC2)CO1)c1ncccc1Br ZINC000885634313 688115809 /nfs/dbraw/zinc/11/58/09/688115809.db2.gz DQPDSPPMLVRNQS-JTQLQIEISA-N -1 1 361.261 2.082 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)[C@H]1CCCOC1 ZINC000885750041 688151343 /nfs/dbraw/zinc/15/13/43/688151343.db2.gz JMNWCACBLXYYOV-ONGXEEELSA-N -1 1 369.270 2.108 20 0 FEADMM COc1cc(C(=O)N2CCC3(CC2)C[C@H](O)CCO3)cc(Cl)c1[O-] ZINC000886117599 688205486 /nfs/dbraw/zinc/20/54/86/688205486.db2.gz LBSVDSYNHRDRMH-GFCCVEGCSA-N -1 1 355.818 2.200 20 0 FEADMM C[C@H](NC(=O)c1cccs1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886262974 688222299 /nfs/dbraw/zinc/22/22/99/688222299.db2.gz HTFUIPWDPLVMPT-VIFPVBQESA-N -1 1 354.378 2.209 20 0 FEADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000886268473 688222728 /nfs/dbraw/zinc/22/27/28/688222728.db2.gz QFNNRTKEBWFAPS-SECBINFHSA-N -1 1 352.303 2.213 20 0 FEADMM O=C(N[C@H]1CCS(=O)(=O)C2(CCC2)C1)c1ncc2ccccc2c1[O-] ZINC000886770075 688305796 /nfs/dbraw/zinc/30/57/96/688305796.db2.gz IODNTKPISOCIDD-ZDUSSCGKSA-N -1 1 360.435 2.170 20 0 FEADMM CCOc1cc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C)cc(Cl)c1[O-] ZINC000886833788 688323853 /nfs/dbraw/zinc/32/38/53/688323853.db2.gz GJPJIJPFUSQCFM-JTQLQIEISA-N -1 1 361.847 2.094 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC000887495296 688435716 /nfs/dbraw/zinc/43/57/16/688435716.db2.gz DUYYUELHZWFLKM-OLZOCXBDSA-N -1 1 370.471 2.044 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000887832272 688501675 /nfs/dbraw/zinc/50/16/75/688501675.db2.gz UVCCQDQHIHESDQ-QWHCGFSZSA-N -1 1 355.818 2.464 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCN1c1ccccc1 ZINC000890192094 688889613 /nfs/dbraw/zinc/88/96/13/688889613.db2.gz RQYSGZCQDLSKGR-CYBMUJFWSA-N -1 1 353.451 2.369 20 0 FEADMM Cc1nc(CC(F)(F)F)sc1CC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000890283118 688900274 /nfs/dbraw/zinc/90/02/74/688900274.db2.gz FKALRSUEUHFYLO-UHFFFAOYSA-N -1 1 369.372 2.393 20 0 FEADMM COc1cc2[n-]cc(C(=O)NC(C)(C)CSC)c(=O)c2c(OC)c1 ZINC000890871526 688977601 /nfs/dbraw/zinc/97/76/01/688977601.db2.gz OTIQSMBNBVEBJK-UHFFFAOYSA-N -1 1 350.440 2.417 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C[C@H](C)N1CC(F)(F)F ZINC000891287256 689045388 /nfs/dbraw/zinc/04/53/88/689045388.db2.gz NGVCIKQRDAWUSY-AOOOYVTPSA-N -1 1 373.404 2.115 20 0 FEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000891622505 689084717 /nfs/dbraw/zinc/08/47/17/689084717.db2.gz PEXIWZYWQIMQMP-JTQLQIEISA-N -1 1 358.364 2.274 20 0 FEADMM COCc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc(=O)[n-]1 ZINC000892640592 689221725 /nfs/dbraw/zinc/22/17/25/689221725.db2.gz OQYUCKBCOOWGEF-RYUDHWBXSA-N -1 1 352.435 2.068 20 0 FEADMM COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000893537115 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Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909178757 691790397 /nfs/dbraw/zinc/79/03/97/691790397.db2.gz CLLKERGYYVLYGH-NSHDSACASA-N -1 1 355.316 2.410 20 0 FEADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CN(C)[C@H]2CCSC2)cc1 ZINC000909326507 691808020 /nfs/dbraw/zinc/80/80/20/691808020.db2.gz QTZGSXRSTCPCSD-DZGCQCFKSA-N -1 1 368.524 2.478 20 0 FEADMM CCOc1ccc(Cl)cc1CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909556451 691833779 /nfs/dbraw/zinc/83/37/79/691833779.db2.gz RSCHXVUNGQRQJW-CQSZACIVSA-N -1 1 368.861 2.194 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1 ZINC000910245038 691905639 /nfs/dbraw/zinc/90/56/39/691905639.db2.gz ISUFRJMQLIIGBY-GJZGRUSLSA-N -1 1 366.483 2.052 20 0 FEADMM Cc1ccc(SC[C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000910251495 691906540 /nfs/dbraw/zinc/90/65/40/691906540.db2.gz VABHACRUTBEFRS-HUUCEWRRSA-N -1 1 350.484 2.388 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccccc2CC(F)(F)F)C1 ZINC000910254613 691906978 /nfs/dbraw/zinc/90/69/78/691906978.db2.gz JNGUWHYSWYEGTL-AWEZNQCLSA-N -1 1 358.360 2.204 20 0 FEADMM C[C@H]1CCc2n[nH]c(C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)c2C1 ZINC000910352160 691920155 /nfs/dbraw/zinc/92/01/55/691920155.db2.gz IYRXBBIJIPSJGS-XVKPBYJWSA-N -1 1 365.377 2.013 20 0 FEADMM CC[C@](NC(=O)C1CCC(N2CCOCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC000908939689 939358492 /nfs/dbraw/zinc/35/84/92/939358492.db2.gz LQIDNNFRWSKCEF-QYGXFBIXSA-N -1 1 374.481 2.384 20 0 FEADMM CCCN(CCN1CCCC1)C(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000507744868 538922550 /nfs/dbraw/zinc/92/25/50/538922550.db2.gz PMBAIAUIQRGDSC-UHFFFAOYSA-N -1 1 367.519 2.109 20 0 FEADMM O=C(CCNc1nc2[nH][n-]cc-2c(=O)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000549251846 674028879 /nfs/dbraw/zinc/02/88/79/674028879.db2.gz DDMYEROBHRNJTC-UHFFFAOYSA-N -1 1 367.196 2.180 20 0 FEADMM COc1cc(NC(=O)[C@@H]2CCCC[C@H]2OC)ccc1[N-]S(C)(=O)=O ZINC000549318016 674033291 /nfs/dbraw/zinc/03/32/91/674033291.db2.gz RESJBGNPOQJGFA-TZMCWYRMSA-N -1 1 356.444 2.210 20 0 FEADMM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549314289 674033303 /nfs/dbraw/zinc/03/33/03/674033303.db2.gz FJVUNPMPHZAABR-QWRGUYRKSA-N -1 1 369.409 2.313 20 0 FEADMM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1(C)C ZINC000549405954 674039880 /nfs/dbraw/zinc/03/98/80/674039880.db2.gz SDNPLPAIVFTKGB-WDEREUQCSA-N -1 1 369.409 2.309 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)c(Br)n1C ZINC000819892651 675320490 /nfs/dbraw/zinc/32/04/90/675320490.db2.gz IWUHERSCAKMNAS-QWRGUYRKSA-N -1 1 362.293 2.206 20 0 FEADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000007708319 539464097 /nfs/dbraw/zinc/46/40/97/539464097.db2.gz ISCAWCXGCRPWTQ-UHFFFAOYSA-N -1 1 368.480 2.477 20 0 FEADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000007708379 539465185 /nfs/dbraw/zinc/46/51/85/539465185.db2.gz VDIRFOLRTSMHNG-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCOCC1 ZINC000003621001 210080156 /nfs/dbraw/zinc/08/01/56/210080156.db2.gz OJMXKQQSSBLKTH-UHFFFAOYSA-N -1 1 364.398 2.099 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(Cl)ccc2OC)o1 ZINC000024620409 539736547 /nfs/dbraw/zinc/73/65/47/539736547.db2.gz XWHOJKIIGMVXEM-UHFFFAOYSA-N -1 1 372.830 2.122 20 0 FEADMM CN(C)c1nc([O-])c(CC(=O)Nc2ccccc2Br)s1 ZINC000028757170 539836419 /nfs/dbraw/zinc/83/64/19/539836419.db2.gz BLAKZIWJXIVZAS-JTQLQIEISA-N -1 1 356.245 2.337 20 0 FEADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1 ZINC000029047964 539841335 /nfs/dbraw/zinc/84/13/35/539841335.db2.gz KJYPEDTZPAFKSR-UHFFFAOYSA-N -1 1 364.423 2.140 20 0 FEADMM CSc1nc(C)c(CCC(=O)Oc2ccc(NC(C)=O)cc2)c(=O)[n-]1 ZINC000030021396 539873295 /nfs/dbraw/zinc/87/32/95/539873295.db2.gz ILJVCCJZDYNTBJ-UHFFFAOYSA-N -1 1 361.423 2.297 20 0 FEADMM COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000031486164 539908414 /nfs/dbraw/zinc/90/84/14/539908414.db2.gz UDQOHVZSHMPARC-UHFFFAOYSA-N -1 1 366.439 2.295 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)Nc2cc3c(cc2F)CCC(=O)N3)c1 ZINC000032097861 539928866 /nfs/dbraw/zinc/92/88/66/539928866.db2.gz IOUFCSYYZFLHQG-UHFFFAOYSA-N -1 1 370.383 2.271 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000041626576 540027583 /nfs/dbraw/zinc/02/75/83/540027583.db2.gz KIUJGSLSLPJBON-SECBINFHSA-N -1 1 359.407 2.439 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1O ZINC000044242926 540120333 /nfs/dbraw/zinc/12/03/33/540120333.db2.gz VKJVXKYIFSNUDA-UHFFFAOYSA-N -1 1 373.184 2.049 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)o1 ZINC000051437385 540433722 /nfs/dbraw/zinc/43/37/22/540433722.db2.gz YSCUUQCAMUWCIL-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1nnc2n1CCCCC2 ZINC000054979939 540619379 /nfs/dbraw/zinc/61/93/79/540619379.db2.gz DELQCRNINSQTSU-SECBINFHSA-N -1 1 374.388 2.461 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)cc1Cl ZINC000055571051 540660066 /nfs/dbraw/zinc/66/00/66/540660066.db2.gz KQLOLDLDTFITIN-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1F ZINC000055682265 540670137 /nfs/dbraw/zinc/67/01/37/540670137.db2.gz LPITXPHZKHPBPZ-UHFFFAOYSA-N -1 1 370.333 2.105 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000055652101 540668049 /nfs/dbraw/zinc/66/80/49/540668049.db2.gz AJMSABRQOSFHCU-UHFFFAOYSA-N -1 1 355.437 2.290 20 0 FEADMM C[C@H](CN1CCCC1=O)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057016120 540762760 /nfs/dbraw/zinc/76/27/60/540762760.db2.gz SYPFBXRYQUOXNA-CQSZACIVSA-N -1 1 373.453 2.007 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@@H](C)c1cccc(OC)c1 ZINC000057338294 540790551 /nfs/dbraw/zinc/79/05/51/540790551.db2.gz QTKNFCLZUNFHMO-LBPRGKRZSA-N -1 1 366.439 2.420 20 0 FEADMM CCCCC(=O)N1CSC[C@@H]1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066650047 541355769 /nfs/dbraw/zinc/35/57/69/541355769.db2.gz FZONKTLSKJPIQW-LLVKDONJSA-N -1 1 371.532 2.229 20 0 FEADMM Cn1c(CCNC(=O)c2cc(F)ccc2Br)n[n-]c1=S ZINC000067051457 541410897 /nfs/dbraw/zinc/41/08/97/541410897.db2.gz VXZBYCOLVNOYQQ-UHFFFAOYSA-N -1 1 359.224 2.352 20 0 FEADMM CCn1c(CCNC(=O)[C@H](C)OCc2cccc(OC)c2)n[n-]c1=S ZINC000067075456 541414418 /nfs/dbraw/zinc/41/44/18/541414418.db2.gz IQKGFRMNERKGLN-LBPRGKRZSA-N -1 1 364.471 2.233 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 ZINC000543129951 541537111 /nfs/dbraw/zinc/53/71/11/541537111.db2.gz SRNCKLRTVUNBJB-GFCCVEGCSA-N -1 1 359.382 2.205 20 0 FEADMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068075611 541544536 /nfs/dbraw/zinc/54/45/36/541544536.db2.gz LHPNNDALYZCVNU-UHFFFAOYSA-N -1 1 356.407 2.313 20 0 FEADMM CCN1C[C@H](C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)CC1=O ZINC000068435257 541591377 /nfs/dbraw/zinc/59/13/77/541591377.db2.gz LZFJFRJASPPMMM-CYBMUJFWSA-N -1 1 365.503 2.096 20 0 FEADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000068447059 541593759 /nfs/dbraw/zinc/59/37/59/541593759.db2.gz YTYHFNKGLTUDJV-UHFFFAOYSA-N -1 1 361.471 2.240 20 0 FEADMM COc1ccccc1-c1nc(=NC(=O)c2ccc(NC(C)=O)cn2)[n-][nH]1 ZINC000543961511 541691650 /nfs/dbraw/zinc/69/16/50/541691650.db2.gz VDANHJRHIDXGNG-UHFFFAOYSA-N -1 1 352.354 2.086 20 0 FEADMM CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000058702517 212013600 /nfs/dbraw/zinc/01/36/00/212013600.db2.gz XKIDMQPMYSKYRE-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000551109567 674124581 /nfs/dbraw/zinc/12/45/81/674124581.db2.gz NEZMNRREJWWXDI-UHFFFAOYSA-N -1 1 366.786 2.199 20 0 FEADMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1 ZINC000551109567 674124584 /nfs/dbraw/zinc/12/45/84/674124584.db2.gz NEZMNRREJWWXDI-UHFFFAOYSA-N -1 1 366.786 2.199 20 0 FEADMM CN(C)c1noc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])n1 ZINC000801375513 674124847 /nfs/dbraw/zinc/12/48/47/674124847.db2.gz PIIKJJSBGRVUIJ-UHFFFAOYSA-N -1 1 363.761 2.037 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccc(-n2cccc2)c1 ZINC000074161974 542045725 /nfs/dbraw/zinc/04/57/25/542045725.db2.gz XQKUJXLDBYVCBU-UHFFFAOYSA-N -1 1 361.405 2.360 20 0 FEADMM CO[C@@H](C)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075578421 542190028 /nfs/dbraw/zinc/19/00/28/542190028.db2.gz TVSMZDDLKYPANR-AWEZNQCLSA-N -1 1 362.451 2.481 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc2c(c1)CCCC2 ZINC000007423172 210740561 /nfs/dbraw/zinc/74/05/61/210740561.db2.gz FNNNQTWYDWHWLI-UHFFFAOYSA-N -1 1 355.423 2.342 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3cnn(-c4ccccc4Cl)c3)ccnc1-2 ZINC000801701849 674144475 /nfs/dbraw/zinc/14/44/75/674144475.db2.gz IWRVUFZRKYHTIB-UHFFFAOYSA-N -1 1 352.785 2.433 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)COCc3nc4ccccc4s3)ccnc1-2 ZINC000801701915 674144547 /nfs/dbraw/zinc/14/45/47/674144547.db2.gz ZEEOHLQKSBGJIA-UHFFFAOYSA-N -1 1 353.407 2.107 20 0 FEADMM COc1ccc(C2([N-]S(=O)(=O)c3c(C)noc3C)CCOCC2)cc1 ZINC000076832456 542324253 /nfs/dbraw/zinc/32/42/53/542324253.db2.gz OOQZIDDWZAUFMT-UHFFFAOYSA-N -1 1 366.439 2.284 20 0 FEADMM Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1C(=O)NC(C)C ZINC000076937460 542331414 /nfs/dbraw/zinc/33/14/14/542331414.db2.gz LCVJHPSQKUIBCD-HNNXBMFYSA-N -1 1 354.472 2.444 20 0 FEADMM CCCCOCCNC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000605447499 675815048 /nfs/dbraw/zinc/81/50/48/675815048.db2.gz LLGCLTUJEQDAOR-UHFFFAOYSA-N -1 1 353.366 2.226 20 0 FEADMM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383466 542375290 /nfs/dbraw/zinc/37/52/90/542375290.db2.gz PFZMTXPXAHYSHD-ZWNOBZJWSA-N -1 1 364.464 2.054 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccccc1-n1cncn1 ZINC000078235941 542448956 /nfs/dbraw/zinc/44/89/56/542448956.db2.gz WTBOXZSQWITGTD-UHFFFAOYSA-N -1 1 362.386 2.227 20 0 FEADMM O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000089962573 542779366 /nfs/dbraw/zinc/77/93/66/542779366.db2.gz LSBBOSPEGFUCBL-CVEARBPZSA-N -1 1 360.841 2.411 20 0 FEADMM Cc1nnc2n1CCC[C@@H]2NC(=O)c1ccc(Br)cc1[O-] ZINC000092423366 542863456 /nfs/dbraw/zinc/86/34/56/542863456.db2.gz LPQLFSFXIPDRTF-NSHDSACASA-N -1 1 351.204 2.320 20 0 FEADMM CCc1nn(C)c(OC)c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000092962374 542899008 /nfs/dbraw/zinc/89/90/08/542899008.db2.gz WXMPWOJWYLOOAB-UHFFFAOYSA-N -1 1 368.441 2.365 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCO)cc2)cc1C ZINC000098074978 543019925 /nfs/dbraw/zinc/01/99/25/543019925.db2.gz IUXYXEIFGNJYEX-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCOC1CCCCC1 ZINC000104019917 543120196 /nfs/dbraw/zinc/12/01/96/543120196.db2.gz DJDVRXAZCNPXNQ-UHFFFAOYSA-N -1 1 360.458 2.038 20 0 FEADMM O=S(=O)([N-]CCCOCC(F)(F)F)c1cc(F)c(F)cc1F ZINC000105617430 543178184 /nfs/dbraw/zinc/17/81/84/543178184.db2.gz YQFSAVOLLGSDNF-UHFFFAOYSA-N -1 1 351.268 2.351 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000109960661 543345300 /nfs/dbraw/zinc/34/53/00/543345300.db2.gz QKTYKDGGDZWXBY-UHFFFAOYSA-N -1 1 363.776 2.178 20 0 FEADMM CCc1nc([C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000110497113 543359345 /nfs/dbraw/zinc/35/93/45/543359345.db2.gz QVYKRABOTGGHEO-SNVBAGLBSA-N -1 1 359.455 2.078 20 0 FEADMM C[C@H]([C@H](C)N(C)C(=O)c1cc(Br)ccc1[O-])S(C)(=O)=O ZINC000113082230 543474094 /nfs/dbraw/zinc/47/40/94/543474094.db2.gz ABJILXYQXPQSCY-DTWKUNHWSA-N -1 1 364.261 2.048 20 0 FEADMM O=C(NCc1ncc[nH]1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000114125490 543504359 /nfs/dbraw/zinc/50/43/59/543504359.db2.gz SIAHSVLHSMNLEG-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCOc1cccc(Cl)c1 ZINC000114156573 543505462 /nfs/dbraw/zinc/50/54/62/543505462.db2.gz KJDHSNGRNBDELR-UHFFFAOYSA-N -1 1 374.828 2.378 20 0 FEADMM Cc1cccnc1[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000115110224 543551851 /nfs/dbraw/zinc/55/18/51/543551851.db2.gz PUQADLTUZRWUJE-IBGZPJMESA-N -1 1 367.453 2.399 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ncccc2C)C(C)C)o1 ZINC000115405947 543565659 /nfs/dbraw/zinc/56/56/59/543565659.db2.gz RXTPMLHXNIFHAE-CQSZACIVSA-N -1 1 351.428 2.018 20 0 FEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000116158561 543601130 /nfs/dbraw/zinc/60/11/30/543601130.db2.gz NRRCJACKISXETN-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)o1 ZINC000116361435 543607946 /nfs/dbraw/zinc/60/79/46/543607946.db2.gz WCIRZTDQPYOSLG-KCJUWKMLSA-N -1 1 357.334 2.179 20 0 FEADMM CCOC(=O)c1nnc([N-]C(=O)c2cc3c(C)nn(C)c3s2)s1 ZINC000119682392 543670724 /nfs/dbraw/zinc/67/07/24/543670724.db2.gz ZRMGBSMNJCGZGY-UHFFFAOYSA-N -1 1 351.413 2.224 20 0 FEADMM CC[C@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123302298 543754026 /nfs/dbraw/zinc/75/40/26/543754026.db2.gz PRCSNSRCSGBLDZ-CRAIPNDOSA-N -1 1 370.449 2.427 20 0 FEADMM Cc1cc(C)c(Br)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000124359540 543816504 /nfs/dbraw/zinc/81/65/04/543816504.db2.gz VLDWLZRBGIKDAN-JTQLQIEISA-N -1 1 352.236 2.455 20 0 FEADMM COc1ccccc1OCc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)o1 ZINC000124384669 543817941 /nfs/dbraw/zinc/81/79/41/543817941.db2.gz JVGPQMOYFLCPRQ-GFCCVEGCSA-N -1 1 371.397 2.256 20 0 FEADMM C[C@H](CN(C)C(=O)C1(c2cccc(Br)c2)CC1)c1nn[n-]n1 ZINC000124452362 543822801 /nfs/dbraw/zinc/82/28/01/543822801.db2.gz IINZBQVJKBKEIT-SNVBAGLBSA-N -1 1 364.247 2.256 20 0 FEADMM COc1ccc(Nc2nc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cs2)cc1 ZINC000124575084 543830381 /nfs/dbraw/zinc/83/03/81/543830381.db2.gz WMHSMUWWWLWBOY-SNVBAGLBSA-N -1 1 373.442 2.284 20 0 FEADMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124621847 543833282 /nfs/dbraw/zinc/83/32/82/543833282.db2.gz JPMQQYAQEKEMKO-SNVBAGLBSA-N -1 1 364.431 2.484 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000124820135 543844424 /nfs/dbraw/zinc/84/44/24/543844424.db2.gz CWHKAROXKYHIEI-UHFFFAOYSA-N -1 1 370.453 2.044 20 0 FEADMM C[C@H](O)C[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000127191307 543977532 /nfs/dbraw/zinc/97/75/32/543977532.db2.gz BTYLHOPLBFDFIH-DZGCQCFKSA-N -1 1 351.406 2.208 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1C ZINC000126903480 543962706 /nfs/dbraw/zinc/96/27/06/543962706.db2.gz DKJFPUOKIGPMAK-UHFFFAOYSA-N -1 1 351.428 2.422 20 0 FEADMM NC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1[O-])Cc1ccc(F)cc1 ZINC000127713887 544009428 /nfs/dbraw/zinc/00/94/28/544009428.db2.gz GIWNGXFFQJRABC-NSHDSACASA-N -1 1 350.777 2.259 20 0 FEADMM CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129297354 544103642 /nfs/dbraw/zinc/10/36/42/544103642.db2.gz SHFGDJAKGCYWDG-LBPRGKRZSA-N -1 1 356.430 2.204 20 0 FEADMM Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c2)n1 ZINC000129298598 544103854 /nfs/dbraw/zinc/10/38/54/544103854.db2.gz HWFSHXWJJPHMHO-KRWDZBQOSA-N -1 1 365.441 2.081 20 0 FEADMM O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129410621 544110968 /nfs/dbraw/zinc/11/09/68/544110968.db2.gz YRQBFIFTHXUFAP-JTQLQIEISA-N -1 1 368.210 2.050 20 0 FEADMM C[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000129507050 544116204 /nfs/dbraw/zinc/11/62/04/544116204.db2.gz QGJBSJWNPXAFRK-JQWIXIFHSA-N -1 1 364.247 2.472 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129508116 544116336 /nfs/dbraw/zinc/11/63/36/544116336.db2.gz CXBIGGACYWBIMK-UWVGGRQHSA-N -1 1 353.785 2.166 20 0 FEADMM Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129527432 544116656 /nfs/dbraw/zinc/11/66/56/544116656.db2.gz JLNCHUCBPHJYHZ-NSHDSACASA-N -1 1 358.427 2.173 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)o1 ZINC000130683203 544160990 /nfs/dbraw/zinc/16/09/90/544160990.db2.gz WJSSMEZFUJQGJL-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000132820331 544244982 /nfs/dbraw/zinc/24/49/82/544244982.db2.gz BECUUSGKBZHPQF-ONGXEEELSA-N -1 1 354.291 2.340 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@H](c3ccc(F)c(F)c3)C1)c2=O ZINC000132654077 544239494 /nfs/dbraw/zinc/23/94/94/544239494.db2.gz IZNXATJWQFHMNR-HNNXBMFYSA-N -1 1 374.347 2.166 20 0 FEADMM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccccn2)n1 ZINC000133151938 544258157 /nfs/dbraw/zinc/25/81/57/544258157.db2.gz LERSFECHCPEHAV-LLVKDONJSA-N -1 1 360.395 2.180 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2coc(-c3c(F)cccc3F)n2)n[n-]1 ZINC000133419300 544269100 /nfs/dbraw/zinc/26/91/00/544269100.db2.gz PFERGLSNQXFBFK-UHFFFAOYSA-N -1 1 354.338 2.274 20 0 FEADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2F)c1 ZINC000134468187 544309585 /nfs/dbraw/zinc/30/95/85/544309585.db2.gz GILYSGLPOGQGMI-UHFFFAOYSA-N -1 1 374.397 2.220 20 0 FEADMM CCC[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134274583 544300971 /nfs/dbraw/zinc/30/09/71/544300971.db2.gz BSWGJWILGCAPPW-MAUKXSAKSA-N -1 1 370.449 2.427 20 0 FEADMM CCC[C@@H](NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)c1nn[n-]n1 ZINC000136716262 544377661 /nfs/dbraw/zinc/37/76/61/544377661.db2.gz LCHWPDDNXSFLMV-CYBMUJFWSA-N -1 1 373.392 2.287 20 0 FEADMM CC(=O)N(C)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000149716205 544458386 /nfs/dbraw/zinc/45/83/86/544458386.db2.gz GCGDWSZRIFDEIF-UHFFFAOYSA-N -1 1 355.232 2.238 20 0 FEADMM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)C1N=NC(=O)N1C[C@@H]1CCCO1 ZINC000151883335 544592196 /nfs/dbraw/zinc/59/21/96/544592196.db2.gz PVWOIOXMIVMADE-GWCFXTLKSA-N -1 1 371.846 2.351 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000152067422 544611114 /nfs/dbraw/zinc/61/11/14/544611114.db2.gz CRRHKUOQFBMWFW-BETUJISGSA-N -1 1 372.487 2.101 20 0 FEADMM CC(C)(C)CCS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000152320792 544638809 /nfs/dbraw/zinc/63/88/09/544638809.db2.gz CQKMQFJEQGTILB-SNVBAGLBSA-N -1 1 370.479 2.298 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000153122903 544735790 /nfs/dbraw/zinc/73/57/90/544735790.db2.gz MXKFQDDJSGWMGX-GFCCVEGCSA-N -1 1 372.450 2.171 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n[n-]1 ZINC000153141332 544738315 /nfs/dbraw/zinc/73/83/15/544738315.db2.gz PCWPZAIOMJYWGD-VIFPVBQESA-N -1 1 365.390 2.400 20 0 FEADMM COc1cc(C(=O)N2CCN(CCOC(C)C)CC2)cc(Cl)c1[O-] ZINC000153934776 544842250 /nfs/dbraw/zinc/84/22/50/544842250.db2.gz UIJMWWRLEFOCOO-UHFFFAOYSA-N -1 1 356.850 2.237 20 0 FEADMM NC(=O)[C@H](NC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000154973717 544972316 /nfs/dbraw/zinc/97/23/16/544972316.db2.gz YEFDPTTYDIJHPY-CYBMUJFWSA-N -1 1 367.174 2.250 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000181053933 327714296 /nfs/dbraw/zinc/71/42/96/327714296.db2.gz AOWIARWANKMENL-GFCCVEGCSA-N -1 1 364.398 2.387 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000181319098 327724647 /nfs/dbraw/zinc/72/46/47/327724647.db2.gz IEAHMAYUDSBMTF-UHFFFAOYSA-N -1 1 360.361 2.358 20 0 FEADMM O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccc([O-])cc1F ZINC000181995476 327756050 /nfs/dbraw/zinc/75/60/50/327756050.db2.gz RSUJLERHQUDARO-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000183317885 327811823 /nfs/dbraw/zinc/81/18/23/327811823.db2.gz WXMDPZGPWBJDPD-YUMQZZPRSA-N -1 1 370.290 2.377 20 0 FEADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184896740 327888226 /nfs/dbraw/zinc/88/82/26/327888226.db2.gz WOXAPSUDPLOQLN-UHFFFAOYSA-N -1 1 372.446 2.123 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2CCC(C)CC2)cc(C(=O)[O-])c1C ZINC000184916132 327889532 /nfs/dbraw/zinc/88/95/32/327889532.db2.gz QTDFUBLTWNDYDG-UHFFFAOYSA-N -1 1 354.472 2.012 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)C[C@@H](C)c2nccs2)c(=O)[n-]1 ZINC000185003818 327894434 /nfs/dbraw/zinc/89/44/34/327894434.db2.gz OVJFIHRGBVUXGO-SNVBAGLBSA-N -1 1 366.512 2.451 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000185282798 327909561 /nfs/dbraw/zinc/90/95/61/327909561.db2.gz GQDNQRKSBAOOSD-CYBMUJFWSA-N -1 1 357.410 2.444 20 0 FEADMM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)o1 ZINC000186120700 327947807 /nfs/dbraw/zinc/94/78/07/327947807.db2.gz VZQNICWYHAWFRC-UHFFFAOYSA-N -1 1 373.228 2.159 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)o1 ZINC000186279714 327955101 /nfs/dbraw/zinc/95/51/01/327955101.db2.gz AEJNWLAIELDIPV-JTQLQIEISA-N -1 1 350.396 2.047 20 0 FEADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1F ZINC000186956051 327993579 /nfs/dbraw/zinc/99/35/79/327993579.db2.gz OIKIOAINDDQHLU-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nn[n-]n1 ZINC000188092039 328065230 /nfs/dbraw/zinc/06/52/30/328065230.db2.gz WQSMZSGHTKLMJL-ZETCQYMHSA-N -1 1 351.823 2.180 20 0 FEADMM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000188541645 328094049 /nfs/dbraw/zinc/09/40/49/328094049.db2.gz DTNDZEGBJYMNTC-NKWVEPMBSA-N -1 1 358.204 2.429 20 0 FEADMM Cc1c(Br)cccc1CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000190215746 328194797 /nfs/dbraw/zinc/19/47/97/328194797.db2.gz YMYCLVMUBAQJTG-SECBINFHSA-N -1 1 352.236 2.075 20 0 FEADMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000190522057 328213672 /nfs/dbraw/zinc/21/36/72/328213672.db2.gz YLSWFKPCAHRPRH-IRXDYDNUSA-N -1 1 374.462 2.377 20 0 FEADMM COc1ccc(NCc2cn(C(C)(C)C)nn2)cc1[N-]S(C)(=O)=O ZINC000191380160 328262849 /nfs/dbraw/zinc/26/28/49/328262849.db2.gz XRDDHXFEDDDEQS-UHFFFAOYSA-N -1 1 353.448 2.025 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-n3cncn3)c(C)c2)[n-]c1=O ZINC000191479812 328267819 /nfs/dbraw/zinc/26/78/19/328267819.db2.gz KMDQKVHDWNQYGT-MDWZMJQESA-N -1 1 365.393 2.396 20 0 FEADMM C[C@@H](CCC(=O)Nc1n[n-]c(C(F)(F)F)n1)NC(=O)OC(C)(C)C ZINC000192412581 328317929 /nfs/dbraw/zinc/31/79/29/328317929.db2.gz UEWSBFIXRQHJHH-ZETCQYMHSA-N -1 1 351.329 2.455 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)c1 ZINC000192756489 328337689 /nfs/dbraw/zinc/33/76/89/328337689.db2.gz CPRKSZVVQZGIHG-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)sc(=O)n3C)[n-]c1=O ZINC000193266001 328365892 /nfs/dbraw/zinc/36/58/92/328365892.db2.gz GJKZKTWZJUGWHO-JXMROGBWSA-N -1 1 371.418 2.421 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000193316843 328368343 /nfs/dbraw/zinc/36/83/43/328368343.db2.gz GLINYNVZYZNNPW-ZIAGYGMSSA-N -1 1 354.472 2.478 20 0 FEADMM COCCO[C@@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000193558142 328381783 /nfs/dbraw/zinc/38/17/83/328381783.db2.gz DDRCXIIBFQBZMU-MRXNPFEDSA-N -1 1 358.442 2.081 20 0 FEADMM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000193769580 328394102 /nfs/dbraw/zinc/39/41/02/328394102.db2.gz SZZFVKSSFPOOJY-UHFFFAOYSA-N -1 1 368.378 2.001 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCn3c4ccccc4nc32)c(=O)[n-]1 ZINC000193801821 328396176 /nfs/dbraw/zinc/39/61/76/328396176.db2.gz NHEFJINXOHUOST-UHFFFAOYSA-N -1 1 369.450 2.129 20 0 FEADMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3ncccc3[O-])CC2)cc1F ZINC000194670063 328434948 /nfs/dbraw/zinc/43/49/48/328434948.db2.gz AJTQPEODTFTDPF-UHFFFAOYSA-N -1 1 371.412 2.403 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000195075727 328454811 /nfs/dbraw/zinc/45/48/11/328454811.db2.gz KHVNJRIGMDMNAP-LBPRGKRZSA-N -1 1 368.256 2.414 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1 ZINC000022737853 324400454 /nfs/dbraw/zinc/40/04/54/324400454.db2.gz VRPLNWBCTOPQGF-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1 ZINC000028244048 324439327 /nfs/dbraw/zinc/43/93/27/324439327.db2.gz UAEFIOWSAIYAQL-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000040437212 324498443 /nfs/dbraw/zinc/49/84/43/324498443.db2.gz GHMHDEGGFLXCQW-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000236568460 328489100 /nfs/dbraw/zinc/48/91/00/328489100.db2.gz WRMAJASGFUPFAM-WCQYABFASA-N -1 1 373.190 2.390 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000055620089 324782768 /nfs/dbraw/zinc/78/27/68/324782768.db2.gz TWTPXANFSYDLQJ-UHFFFAOYSA-N -1 1 360.435 2.268 20 0 FEADMM Cc1ccsc1CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000056869043 324814328 /nfs/dbraw/zinc/81/43/28/324814328.db2.gz IVNHANSEQBPFKG-UHFFFAOYSA-N -1 1 354.435 2.369 20 0 FEADMM Cc1ccccc1O[C@@H](C)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000078229131 325036072 /nfs/dbraw/zinc/03/60/72/325036072.db2.gz DIZRBOBRXYLRMR-ZDUSSCGKSA-N -1 1 368.437 2.074 20 0 FEADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)N1CCOCC1 ZINC000084936278 325247377 /nfs/dbraw/zinc/24/73/77/325247377.db2.gz LZTMQUDLDDDMFD-OAHLLOKOSA-N -1 1 352.456 2.068 20 0 FEADMM CCc1nc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cs1 ZINC000091161172 325376068 /nfs/dbraw/zinc/37/60/68/325376068.db2.gz CQCNKIAPNRWWAF-UHFFFAOYSA-N -1 1 357.432 2.397 20 0 FEADMM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000091674994 325389400 /nfs/dbraw/zinc/38/94/00/325389400.db2.gz VEOZJGRYZSWCBI-UHFFFAOYSA-N -1 1 364.398 2.032 20 0 FEADMM O=c1cc(CN2CCC(OCc3ccc(F)cc3)CC2)nc2cc[n-]n21 ZINC000091886137 325397147 /nfs/dbraw/zinc/39/71/47/325397147.db2.gz QJQJHCBWLUHDGG-UHFFFAOYSA-N -1 1 356.401 2.343 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)O)cc2)ccc1F ZINC000098075626 325466125 /nfs/dbraw/zinc/46/61/25/325466125.db2.gz JLCSPFSRMLZCRO-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000103498513 325522560 /nfs/dbraw/zinc/52/25/60/325522560.db2.gz SNMFDDNQMXJFRT-UHFFFAOYSA-N -1 1 354.378 2.444 20 0 FEADMM Cc1ccc(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000104868539 325548986 /nfs/dbraw/zinc/54/89/86/325548986.db2.gz YDSMDYMXTRBUGJ-UHFFFAOYSA-N -1 1 352.438 2.158 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000105390571 325566882 /nfs/dbraw/zinc/56/68/82/325566882.db2.gz BLFJDTFZGDCYQI-UHFFFAOYSA-N -1 1 352.387 2.060 20 0 FEADMM CCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n[nH]1 ZINC000110847613 325693881 /nfs/dbraw/zinc/69/38/81/325693881.db2.gz YNXPOSUWYXIYAV-UHFFFAOYSA-N -1 1 354.432 2.284 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCOc1ccccc1 ZINC000114156562 325875465 /nfs/dbraw/zinc/87/54/65/325875465.db2.gz ZOJVSNXEHHYNOG-UHFFFAOYSA-N -1 1 354.410 2.115 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)cc1F ZINC000116601347 326027110 /nfs/dbraw/zinc/02/71/10/326027110.db2.gz PFIOXENFQFWUIS-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM CS[C@H]1CCC[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000117315654 326056763 /nfs/dbraw/zinc/05/67/63/326056763.db2.gz KPIJDBGMFYNDFM-CABCVRRESA-N -1 1 372.494 2.473 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CSc2ccccc21 ZINC000118343934 326088801 /nfs/dbraw/zinc/08/88/01/326088801.db2.gz UPHFRNNAXHCLFM-CQSZACIVSA-N -1 1 354.435 2.145 20 0 FEADMM CCCNC(=O)c1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1 ZINC000119167865 326134044 /nfs/dbraw/zinc/13/40/44/326134044.db2.gz PXQCLMNPLLXIHT-UHFFFAOYSA-N -1 1 353.382 2.066 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3c(C)onc3CC)CC2)c1=N ZINC000119221374 326138891 /nfs/dbraw/zinc/13/88/91/326138891.db2.gz AUJCPQGBXDSQDF-UHFFFAOYSA-N -1 1 361.446 2.168 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@@H](c2ccsc2)O1 ZINC000119348317 326152521 /nfs/dbraw/zinc/15/25/21/326152521.db2.gz WHCWGBQKJNCLSC-YGRLFVJLSA-N -1 1 358.423 2.338 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)c2ccc(N3CCOC3=O)cc2)[nH]n1 ZINC000119478226 326166651 /nfs/dbraw/zinc/16/66/51/326166651.db2.gz BFNNNWWOQXXLSH-UHFFFAOYSA-N -1 1 352.354 2.019 20 0 FEADMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nccn3C)n[nH]2)C1 ZINC000119720873 326191473 /nfs/dbraw/zinc/19/14/73/326191473.db2.gz XZTKAILJSDJFJT-OLZOCXBDSA-N -1 1 358.446 2.033 20 0 FEADMM C[C@H](NC(=O)c1cc(I)ccc1[O-])[C@@H]1CCOC1 ZINC000119935361 326213792 /nfs/dbraw/zinc/21/37/92/326213792.db2.gz YEHHNVYKJXUMOB-DTWKUNHWSA-N -1 1 361.179 2.152 20 0 FEADMM CCN(CCO)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000120343502 326251246 /nfs/dbraw/zinc/25/12/46/326251246.db2.gz MLUQVQJSNOKPPP-UHFFFAOYSA-N -1 1 359.451 2.474 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCCc2ccccc2)co1 ZINC000120515381 326265092 /nfs/dbraw/zinc/26/50/92/326265092.db2.gz LYQIXGDBISTOMF-UHFFFAOYSA-N -1 1 350.440 2.283 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccccc3-n3cccn3)ccc21 ZINC000121328976 326330404 /nfs/dbraw/zinc/33/04/04/326330404.db2.gz NVFOTNCOZRCQJM-UHFFFAOYSA-N -1 1 368.418 2.192 20 0 FEADMM COc1cc2c(cc1C[N-]S(=O)(=O)c1c(C)noc1C)O[C@@H](C)C2 ZINC000121491132 326342451 /nfs/dbraw/zinc/34/24/51/326342451.db2.gz WSAQWSMBEYQIPL-VIFPVBQESA-N -1 1 352.412 2.102 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000122991897 326416501 /nfs/dbraw/zinc/41/65/01/326416501.db2.gz XVRPKTABONXWJC-UHFFFAOYSA-N -1 1 368.437 2.256 20 0 FEADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1F ZINC000124644752 326457566 /nfs/dbraw/zinc/45/75/66/326457566.db2.gz DEUBAOSPKPXPBO-UHFFFAOYSA-N -1 1 364.445 2.450 20 0 FEADMM CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1c([O-])cccc1F ZINC000125680564 326476010 /nfs/dbraw/zinc/47/60/10/326476010.db2.gz BWBQSAIZEMWUFF-UHFFFAOYSA-N -1 1 357.429 2.426 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)CO)c2)c1 ZINC000126018495 326481667 /nfs/dbraw/zinc/48/16/67/326481667.db2.gz MCNYFERDWMYPMT-AWEZNQCLSA-N -1 1 362.451 2.249 20 0 FEADMM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ncccc1[O-] ZINC000128754543 326529326 /nfs/dbraw/zinc/52/93/26/326529326.db2.gz FKSTVBYGLAPSGI-UHFFFAOYSA-N -1 1 350.321 2.271 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](O)Cc1ccccc1 ZINC000129224636 326536698 /nfs/dbraw/zinc/53/66/98/326536698.db2.gz HJLIOCWICWBWNN-MEBBXXQBSA-N -1 1 359.369 2.374 20 0 FEADMM O=S(=O)([N-]c1ccc2nc(N3CCOCC3)oc2c1)c1ccccc1 ZINC000131408325 326574224 /nfs/dbraw/zinc/57/42/24/326574224.db2.gz UTRFJIFOAHGXNI-UHFFFAOYSA-N -1 1 359.407 2.465 20 0 FEADMM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132752402 326597443 /nfs/dbraw/zinc/59/74/43/326597443.db2.gz JIJGEACMBNACSU-UHFFFAOYSA-N -1 1 374.821 2.479 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c(C)c1 ZINC000132953632 326600490 /nfs/dbraw/zinc/60/04/90/326600490.db2.gz VELBAAQLKFGAEX-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCC[C@@H]2CCCC[C@H]2O)c(=O)[n-]1 ZINC000134449493 326625896 /nfs/dbraw/zinc/62/58/96/326625896.db2.gz KLCAQJUCELFHSX-DZGCQCFKSA-N -1 1 367.515 2.180 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccnc1)c1ccc(Cl)c(F)c1 ZINC000155069793 326776631 /nfs/dbraw/zinc/77/66/31/326776631.db2.gz YFBIJZBPMPULMX-CYBMUJFWSA-N -1 1 358.778 2.067 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000156985806 326850698 /nfs/dbraw/zinc/85/06/98/326850698.db2.gz RNWHKKGEKFTHFH-HOCLYGCPSA-N -1 1 358.442 2.058 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1cccc(-n2cnnn2)c1 ZINC000157700592 326872516 /nfs/dbraw/zinc/87/25/16/326872516.db2.gz TVUAAPJLZFERBW-UHFFFAOYSA-N -1 1 368.378 2.118 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000170929670 327107999 /nfs/dbraw/zinc/10/79/99/327107999.db2.gz ORPQKJIHXYMHBH-UHFFFAOYSA-N -1 1 368.422 2.272 20 0 FEADMM O=C(N[C@H]1CCCOC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000170936810 327108135 /nfs/dbraw/zinc/10/81/35/327108135.db2.gz SYZYOWZZBQDGLI-INIZCTEOSA-N -1 1 360.435 2.396 20 0 FEADMM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000170939561 327108643 /nfs/dbraw/zinc/10/86/43/327108643.db2.gz GMSGKTJTSZXWEG-UHFFFAOYSA-N -1 1 373.352 2.412 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 ZINC000171290230 327130012 /nfs/dbraw/zinc/13/00/12/327130012.db2.gz WIMLDTPJZJYYEH-NOZJJQNGSA-N -1 1 354.414 2.470 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCc2ccccc2C1 ZINC000171622082 327149138 /nfs/dbraw/zinc/14/91/38/327149138.db2.gz ROJYNHYGDPGPGJ-UHFFFAOYSA-N -1 1 350.422 2.157 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000171910798 327169967 /nfs/dbraw/zinc/16/99/67/327169967.db2.gz IRHBZKYEQZZVKW-UHFFFAOYSA-N -1 1 354.454 2.123 20 0 FEADMM CS[C@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000172550727 327207848 /nfs/dbraw/zinc/20/78/48/327207848.db2.gz NLLMXHSBYDBRRN-KRWDZBQOSA-N -1 1 356.451 2.360 20 0 FEADMM CCN(CCNS(=O)(=O)c1ccc(Br)c(F)c1)C1CC1 ZINC000173098369 327234943 /nfs/dbraw/zinc/23/49/43/327234943.db2.gz GKSJNNXVKQEBPH-UHFFFAOYSA-N -1 1 365.268 2.351 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)o1 ZINC000173103283 327235608 /nfs/dbraw/zinc/23/56/08/327235608.db2.gz MHHIKIWMOJCEKD-CQSZACIVSA-N -1 1 368.430 2.324 20 0 FEADMM Cc1cc(N2CC[C@H](NC(=O)c3ccc4ccccc4c3[O-])C2=O)n(C)n1 ZINC000174595509 327337172 /nfs/dbraw/zinc/33/71/72/327337172.db2.gz SBQSGMQTWDLYSC-INIZCTEOSA-N -1 1 364.405 2.123 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCCC(N)=O)cc1 ZINC000174677844 327343029 /nfs/dbraw/zinc/34/30/29/327343029.db2.gz LISQQOHZLAVQRH-UHFFFAOYSA-N -1 1 352.387 2.189 20 0 FEADMM Cc1nc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)sc1C ZINC000175345394 327388410 /nfs/dbraw/zinc/38/84/10/327388410.db2.gz AJAUHLJLALKPNK-UHFFFAOYSA-N -1 1 359.455 2.374 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(C)o1 ZINC000175348645 327388457 /nfs/dbraw/zinc/38/84/57/327388457.db2.gz WSXIIKZLVRIYDM-MRXNPFEDSA-N -1 1 361.423 2.440 20 0 FEADMM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000175645314 327404336 /nfs/dbraw/zinc/40/43/36/327404336.db2.gz WOYFZWYJPVZWHF-QLMNROTDSA-N -1 1 351.440 2.323 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000264270612 329006541 /nfs/dbraw/zinc/00/65/41/329006541.db2.gz LVQNRYFREGFSCN-HNNXBMFYSA-N -1 1 368.412 2.337 20 0 FEADMM CC[N@@H+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000264894113 329071862 /nfs/dbraw/zinc/07/18/62/329071862.db2.gz KLRMKHYUYRDPRW-UHFFFAOYSA-N -1 1 361.467 2.169 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC(C)(C)c1nccs1 ZINC000265393483 329122143 /nfs/dbraw/zinc/12/21/43/329122143.db2.gz VIWOCOUXUJOBMJ-UHFFFAOYSA-N -1 1 359.455 2.492 20 0 FEADMM O=C(c1cc(=O)c2ccccc2[nH]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265597120 329141516 /nfs/dbraw/zinc/14/15/16/329141516.db2.gz YZQDGIYPDFHKAJ-UHFFFAOYSA-N -1 1 355.438 2.125 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000265670960 329148401 /nfs/dbraw/zinc/14/84/01/329148401.db2.gz RFTQHAKVIZCJIA-XBFCOCLRSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000265670960 329148402 /nfs/dbraw/zinc/14/84/02/329148402.db2.gz RFTQHAKVIZCJIA-XBFCOCLRSA-N -1 1 374.832 2.265 20 0 FEADMM CNC(=O)c1cc(C)ccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000265923445 329173091 /nfs/dbraw/zinc/17/30/91/329173091.db2.gz VFCZWXRIUSGOSB-UHFFFAOYSA-N -1 1 374.466 2.452 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccc(Cl)cc1 ZINC000266262719 329205770 /nfs/dbraw/zinc/20/57/70/329205770.db2.gz ZSUXGZVEPWHJKU-LLVKDONJSA-N -1 1 364.254 2.393 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@H]1CCOC1 ZINC000266261545 329205798 /nfs/dbraw/zinc/20/57/98/329205798.db2.gz ZLAXFAYHASGPNN-SFYZADRCSA-N -1 1 370.215 2.431 20 0 FEADMM CCc1cnc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000266419394 329221178 /nfs/dbraw/zinc/22/11/78/329221178.db2.gz OEZIKXFCPDPGRC-UHFFFAOYSA-N -1 1 369.450 2.430 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)CC(C)(C)OC)cc1[N-]S(C)(=O)=O ZINC000266720529 329252741 /nfs/dbraw/zinc/25/27/41/329252741.db2.gz BAXAPFIVMPBSOP-NSHDSACASA-N -1 1 373.475 2.392 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCn1cnc2ccccc21 ZINC000266952922 329276340 /nfs/dbraw/zinc/27/63/40/329276340.db2.gz FPFRFJHCAZAGDQ-UHFFFAOYSA-N -1 1 357.439 2.382 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000266971686 329278493 /nfs/dbraw/zinc/27/84/93/329278493.db2.gz MDWFKPGGNUKCOZ-UHFFFAOYSA-N -1 1 357.439 2.451 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccn(C)c1 ZINC000267237257 329305287 /nfs/dbraw/zinc/30/52/87/329305287.db2.gz RAXVJJWYJFSELS-UHFFFAOYSA-N -1 1 351.410 2.140 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCn1cccc1 ZINC000267464465 329330089 /nfs/dbraw/zinc/33/00/89/329330089.db2.gz RTCVMCPCJQWBGX-UHFFFAOYSA-N -1 1 351.410 2.103 20 0 FEADMM Cc1cccnc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000267530937 329335911 /nfs/dbraw/zinc/33/59/11/329335911.db2.gz QFYJRBXHNDMCIW-UHFFFAOYSA-N -1 1 361.423 2.132 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)no1 ZINC000267823614 329360877 /nfs/dbraw/zinc/36/08/77/329360877.db2.gz YNCUJMILKQCRGB-LBPRGKRZSA-N -1 1 362.411 2.137 20 0 FEADMM CCC[C@@H](NC(=O)CCSc1ccc(OC)c(OC)c1)c1nn[n-]n1 ZINC000268134486 329388735 /nfs/dbraw/zinc/38/87/35/329388735.db2.gz CAVGKTPQMUYWCN-GFCCVEGCSA-N -1 1 365.459 2.357 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nn[n-]n1 ZINC000268214671 329397703 /nfs/dbraw/zinc/39/77/03/329397703.db2.gz PEKUFMCENYGZMJ-AWEZNQCLSA-N -1 1 369.404 2.284 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)c1cccc(OCC)c1 ZINC000269643882 329536652 /nfs/dbraw/zinc/53/66/52/329536652.db2.gz FHTIORNYBHZOMP-NSHDSACASA-N -1 1 367.427 2.025 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(n3c(C)ccc3C)CC2)co1 ZINC000270102987 329575036 /nfs/dbraw/zinc/57/50/36/329575036.db2.gz QXPIRYRMOYMFQP-UHFFFAOYSA-N -1 1 365.455 2.083 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1O ZINC000270611525 329615198 /nfs/dbraw/zinc/61/51/98/329615198.db2.gz MHZASNDLMOKKCD-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H](O)C(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000271268431 329678774 /nfs/dbraw/zinc/67/87/74/329678774.db2.gz IANZJHDFOWAVAP-CYBMUJFWSA-N -1 1 362.451 2.377 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N[C@@H]2CCCOC2)c1)OCC(F)(F)F ZINC000271304006 329681830 /nfs/dbraw/zinc/68/18/30/329681830.db2.gz RGFPYKFXYINQKC-SNVBAGLBSA-N -1 1 362.304 2.412 20 0 FEADMM CCCC[C@@H]1NC(=O)N(c2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1=O ZINC000272108841 329752919 /nfs/dbraw/zinc/75/29/19/329752919.db2.gz PYQZEWZFYRRTRS-ZDUSSCGKSA-N -1 1 369.443 2.072 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)[C@@H]1CCCCO1 ZINC000272241314 329763006 /nfs/dbraw/zinc/76/30/06/329763006.db2.gz NOKNGKRSWUVYES-CJNGLKHVSA-N -1 1 356.426 2.169 20 0 FEADMM C[C@@H](O)C(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000272879807 329820118 /nfs/dbraw/zinc/82/01/18/329820118.db2.gz VIKBHMFPNRSYLT-CYBMUJFWSA-N -1 1 362.451 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC(C)C)c2)o1 ZINC000274150014 329920419 /nfs/dbraw/zinc/92/04/19/329920419.db2.gz FEILKGHIUGETBE-UHFFFAOYSA-N -1 1 368.411 2.236 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1cc(C)cc(C)c1 ZINC000274341748 329939908 /nfs/dbraw/zinc/93/99/08/329939908.db2.gz BENXVXXDAOQVEC-INIZCTEOSA-N -1 1 365.455 2.273 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(CC1CCC1)[C@H](C)CO ZINC000275217805 330023154 /nfs/dbraw/zinc/02/31/54/330023154.db2.gz KOCVEMRCBQBORW-CYBMUJFWSA-N -1 1 370.453 2.105 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(CC1CCC1)[C@@H](C)CO ZINC000275217807 330023213 /nfs/dbraw/zinc/02/32/13/330023213.db2.gz KOCVEMRCBQBORW-ZDUSSCGKSA-N -1 1 370.453 2.105 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)Cc2cccc(C)c2)(C(=O)OC)C1(C)C ZINC000275969023 330107211 /nfs/dbraw/zinc/10/72/11/330107211.db2.gz NGRFDCNJJCJWEC-YJBOKZPZSA-N -1 1 369.483 2.161 20 0 FEADMM COc1ccc(NC(=O)CC(C)(C)CC(C)=O)cc1[N-]S(C)(=O)=O ZINC000276334339 330142157 /nfs/dbraw/zinc/14/21/57/330142157.db2.gz RNFUUIMLGYDLMW-UHFFFAOYSA-N -1 1 356.444 2.401 20 0 FEADMM Cn1ccc([C@H](NC(=O)c2ccc3[nH]nnc3c2)c2ccc(F)cc2)n1 ZINC000371445943 330242296 /nfs/dbraw/zinc/24/22/96/330242296.db2.gz AGMMYIACJNTEJT-QGZVFWFLSA-N -1 1 350.357 2.350 20 0 FEADMM C[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)c(F)c1 ZINC000554313592 674312339 /nfs/dbraw/zinc/31/23/39/674312339.db2.gz BORNBQZCUVDUIF-MRVPVSSYSA-N -1 1 356.350 2.060 20 0 FEADMM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1cc2ccccc2o1 ZINC000555392244 674358964 /nfs/dbraw/zinc/35/89/64/674358964.db2.gz GIWKMTOQAIZLIS-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc(Cl)c(OC)c2)c1 ZINC000555431595 674361671 /nfs/dbraw/zinc/36/16/71/674361671.db2.gz AUFASXLBSAYTLX-UHFFFAOYSA-N -1 1 373.814 2.249 20 0 FEADMM COc1ccc([C@@H](CN(C)C)NC(=O)N=c2ncn(C(C)(C)C)[n-]2)cc1 ZINC000498957977 538866179 /nfs/dbraw/zinc/86/61/79/538866179.db2.gz UARJGMGTQMVGLS-OAHLLOKOSA-N -1 1 360.462 2.466 20 0 FEADMM Cc1nnc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])[nH]1 ZINC000156726458 545651980 /nfs/dbraw/zinc/65/19/80/545651980.db2.gz BMMMBTOPIHTOGP-UHFFFAOYSA-N -1 1 352.276 2.276 20 0 FEADMM Cc1n[nH]c(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])n1 ZINC000156726458 545651985 /nfs/dbraw/zinc/65/19/85/545651985.db2.gz BMMMBTOPIHTOGP-UHFFFAOYSA-N -1 1 352.276 2.276 20 0 FEADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(-n2cnnn2)cc1 ZINC000477431015 561144881 /nfs/dbraw/zinc/14/48/81/561144881.db2.gz JBZFQTIPAWDQOK-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1cccc(F)c1F ZINC000157444661 545742206 /nfs/dbraw/zinc/74/22/06/545742206.db2.gz UISUHBHRXPGGCZ-JTQLQIEISA-N -1 1 357.357 2.056 20 0 FEADMM O=c1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccccc2[nH]1 ZINC000158050859 545817991 /nfs/dbraw/zinc/81/79/91/545817991.db2.gz OFUKSVYLZATPDH-UHFFFAOYSA-N -1 1 368.336 2.424 20 0 FEADMM CC[C@H](C)c1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cn1 ZINC000478275180 561163544 /nfs/dbraw/zinc/16/35/44/561163544.db2.gz DNHJYZTVVAQBTH-QMMMGPOBSA-N -1 1 354.370 2.300 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccc(F)cn1 ZINC000478663346 561172236 /nfs/dbraw/zinc/17/22/36/561172236.db2.gz UBDHCZZDGRFKNY-UHFFFAOYSA-N -1 1 367.384 2.336 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)co1 ZINC000162270152 546137650 /nfs/dbraw/zinc/13/76/50/546137650.db2.gz OXRBRBYFWYEJQE-VHSXEESVSA-N -1 1 354.350 2.039 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](c1ccco1)c1ccccc1 ZINC000479072579 561180780 /nfs/dbraw/zinc/18/07/80/561180780.db2.gz UVUUQYCSUAUAMJ-KRWDZBQOSA-N -1 1 351.362 2.016 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(=O)[nH]n1 ZINC000479102217 561181669 /nfs/dbraw/zinc/18/16/69/561181669.db2.gz UAIWJPYHGVKXIL-UHFFFAOYSA-N -1 1 370.390 2.235 20 0 FEADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000479124848 561182004 /nfs/dbraw/zinc/18/20/04/561182004.db2.gz CSJPDKWIFJYFSN-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](COC)c2ccc(F)cc2)o1 ZINC000479245452 561185839 /nfs/dbraw/zinc/18/58/39/561185839.db2.gz RFYSCHSCEXOXEO-CYBMUJFWSA-N -1 1 371.386 2.261 20 0 FEADMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(F)(F)F ZINC000479380261 561188600 /nfs/dbraw/zinc/18/86/00/561188600.db2.gz PTUMMVVXAJEQFC-MRVPVSSYSA-N -1 1 356.366 2.285 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2OC)c1 ZINC000479531428 561191423 /nfs/dbraw/zinc/19/14/23/561191423.db2.gz OBKHAXYWUZRCGC-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c2cccc(F)c2O1 ZINC000479560971 561191917 /nfs/dbraw/zinc/19/19/17/561191917.db2.gz SJVIPLXXGQSWCB-SECBINFHSA-N -1 1 367.354 2.206 20 0 FEADMM O=C(NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ncccc1[O-] ZINC000479957938 561200198 /nfs/dbraw/zinc/20/01/98/561200198.db2.gz AIOSGQRGIOXSEW-LBPRGKRZSA-N -1 1 370.327 2.267 20 0 FEADMM O=C(NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ncccc1[O-] ZINC000479957937 561200222 /nfs/dbraw/zinc/20/02/22/561200222.db2.gz AIOSGQRGIOXSEW-GFCCVEGCSA-N -1 1 370.327 2.267 20 0 FEADMM Cc1cocc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000528900337 562352150 /nfs/dbraw/zinc/35/21/50/562352150.db2.gz FEYUBYQZSZMTMA-UHFFFAOYSA-N -1 1 350.396 2.330 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000176259198 546425137 /nfs/dbraw/zinc/42/51/37/546425137.db2.gz NYYRQZLAZTYSLL-NWDGAFQWSA-N -1 1 355.225 2.257 20 0 FEADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncc([O-])c1 ZINC000176434509 546445951 /nfs/dbraw/zinc/44/59/51/546445951.db2.gz IMFXWXVXCYAEOB-CQSZACIVSA-N -1 1 370.327 2.318 20 0 FEADMM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176526763 546456563 /nfs/dbraw/zinc/45/65/63/546456563.db2.gz XNRZZLIEYWURNU-UHFFFAOYSA-N -1 1 357.389 2.321 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000176526763 546456567 /nfs/dbraw/zinc/45/65/67/546456567.db2.gz XNRZZLIEYWURNU-UHFFFAOYSA-N -1 1 357.389 2.321 20 0 FEADMM CCC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1nn[n-]n1 ZINC000176752665 546484570 /nfs/dbraw/zinc/48/45/70/546484570.db2.gz PRCVCQLSKOHRNV-VIFPVBQESA-N -1 1 360.365 2.363 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cn([C@H]3CCOC3)nn2)c1 ZINC000480537346 561211363 /nfs/dbraw/zinc/21/13/63/561211363.db2.gz NYARXCNUEOUFOM-VIFPVBQESA-N -1 1 367.203 2.268 20 0 FEADMM O=S(=O)([N-]CCn1cnc2ccccc21)c1cc(F)c(F)cc1F ZINC000480890651 561219678 /nfs/dbraw/zinc/21/96/78/561219678.db2.gz FQKWYDUQYNGJFM-UHFFFAOYSA-N -1 1 355.341 2.432 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(CC)CC ZINC000177707632 546671531 /nfs/dbraw/zinc/67/15/31/546671531.db2.gz YDJGTUSOZGMSBS-HOTGVXAUSA-N -1 1 374.485 2.282 20 0 FEADMM CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000177743108 546677754 /nfs/dbraw/zinc/67/77/54/546677754.db2.gz FBSMYODVDQKUTL-UHFFFAOYSA-N -1 1 374.462 2.474 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H](C)C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000481256971 561229043 /nfs/dbraw/zinc/22/90/43/561229043.db2.gz WAVIYMQYMXWPQM-MRVPVSSYSA-N -1 1 369.365 2.387 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000178587237 546814886 /nfs/dbraw/zinc/81/48/86/546814886.db2.gz BIVXBXVFYZYDFZ-UHFFFAOYSA-N -1 1 366.396 2.020 20 0 FEADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000481562166 561236222 /nfs/dbraw/zinc/23/62/22/561236222.db2.gz ACPHYQHLIFZIMV-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@H](c3ccccc3F)C1)c2=O ZINC000179475254 546960745 /nfs/dbraw/zinc/96/07/45/546960745.db2.gz HLUKACJIDUGBKK-HNNXBMFYSA-N -1 1 356.357 2.027 20 0 FEADMM CC(C)(C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1F ZINC000179540287 546974051 /nfs/dbraw/zinc/97/40/51/546974051.db2.gz UTODHERRIIDMIT-UHFFFAOYSA-N -1 1 352.387 2.095 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](CO)C3)cc2)cc1 ZINC000179675189 546995628 /nfs/dbraw/zinc/99/56/28/546995628.db2.gz GVCBJYOJKUQKDR-OAHLLOKOSA-N -1 1 374.462 2.250 20 0 FEADMM O=C(NCCCF)c1c[nH]c2ccc(I)cc2c1=O ZINC000180026176 547041129 /nfs/dbraw/zinc/04/11/29/547041129.db2.gz PPVAOOAIYRWNAE-UHFFFAOYSA-N -1 1 374.153 2.222 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(C)CCCc3ccccc32)co1 ZINC000182033013 547425388 /nfs/dbraw/zinc/42/53/88/547425388.db2.gz ZGFOQKVQCWMVAU-SFHVURJKSA-N -1 1 362.451 2.212 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@@H](c2ccccc2)CO1 ZINC000182091390 547435007 /nfs/dbraw/zinc/43/50/07/547435007.db2.gz VFBGRBFENJWZIC-MLGOLLRUSA-N -1 1 352.394 2.276 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1ccc(O)cc1)CC1CC1)c2=O ZINC000182263927 547463291 /nfs/dbraw/zinc/46/32/91/547463291.db2.gz QLEKSNNFIPVGRH-UHFFFAOYSA-N -1 1 352.394 2.432 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000182430788 547491374 /nfs/dbraw/zinc/49/13/74/547491374.db2.gz RFEUTVJAPHOQBJ-CQSZACIVSA-N -1 1 353.353 2.356 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000182915271 547572430 /nfs/dbraw/zinc/57/24/30/547572430.db2.gz AEYBGXNZSGSCAD-VIFPVBQESA-N -1 1 362.245 2.226 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)o1 ZINC000182930175 547574788 /nfs/dbraw/zinc/57/47/88/547574788.db2.gz ZMWALZNSYTYVRM-UHFFFAOYSA-N -1 1 374.422 2.243 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000484441069 561297874 /nfs/dbraw/zinc/29/78/74/561297874.db2.gz OAEQMHLNNYEPNH-UHFFFAOYSA-N -1 1 371.466 2.189 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(=O)OC)c1 ZINC000484567886 561300225 /nfs/dbraw/zinc/30/02/25/561300225.db2.gz NECVLBBCKALLMO-UHFFFAOYSA-N -1 1 365.407 2.186 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)sc1C(=O)[O-] ZINC000184958632 547907570 /nfs/dbraw/zinc/90/75/70/547907570.db2.gz FZFZWAVDPXEDOD-LOWVWBTDSA-N -1 1 374.528 2.399 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC000184966963 547908954 /nfs/dbraw/zinc/90/89/54/547908954.db2.gz RVLOQLFDFQCJOZ-AWEZNQCLSA-N -1 1 368.499 2.400 20 0 FEADMM COc1cc2c(cc1S(=O)(=O)[N-]c1cc(F)ccc1F)OCC(=O)N2 ZINC000485409129 561318569 /nfs/dbraw/zinc/31/85/69/561318569.db2.gz RDSLDEGIWBWMAW-UHFFFAOYSA-N -1 1 370.333 2.105 20 0 FEADMM Cc1cccc(CS(=O)(=O)[N-]c2cn(C)cc(Br)c2=O)c1 ZINC000186650880 548166459 /nfs/dbraw/zinc/16/64/59/548166459.db2.gz NBFRIYAPRLCRMV-UHFFFAOYSA-N -1 1 371.256 2.398 20 0 FEADMM O=c1cc(/C=C\c2cn(-c3ccc(Cl)c(Cl)c3)nn2)nc2nc[n-]n21 ZINC000486122304 561338572 /nfs/dbraw/zinc/33/85/72/561338572.db2.gz JQNZSAAMKAWQIX-UPHRSURJSA-N -1 1 374.191 2.476 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(C2CC2)cc1 ZINC000191303800 548343053 /nfs/dbraw/zinc/34/30/53/548343053.db2.gz ZJJPOCAQFFLYSH-UHFFFAOYSA-N -1 1 350.422 2.376 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)o1 ZINC000486553007 561350537 /nfs/dbraw/zinc/35/05/37/561350537.db2.gz XVOAWIZSWFEWDP-UHFFFAOYSA-N -1 1 353.331 2.273 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3nc4ccc(F)cc4[nH]3)ccc2[nH]1 ZINC000486564414 561350961 /nfs/dbraw/zinc/35/09/61/561350961.db2.gz VFMANBQUTVCXFY-UHFFFAOYSA-N -1 1 358.354 2.344 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)n[n-]1 ZINC000195053245 548570219 /nfs/dbraw/zinc/57/02/19/548570219.db2.gz IGOFBQLLQYGMCE-LBPRGKRZSA-N -1 1 370.862 2.062 20 0 FEADMM O=C(CCS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1)Nc1ccccc1 ZINC000195129023 548581426 /nfs/dbraw/zinc/58/14/26/548581426.db2.gz RUGRIFAIHUVZPO-UHFFFAOYSA-N -1 1 374.397 2.413 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1)Nc1ccccc1 ZINC000195129023 548581429 /nfs/dbraw/zinc/58/14/29/548581429.db2.gz RUGRIFAIHUVZPO-UHFFFAOYSA-N -1 1 374.397 2.413 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000195129714 548582119 /nfs/dbraw/zinc/58/21/19/548582119.db2.gz PIMANUUVKPLWHR-NSHDSACASA-N -1 1 374.397 2.412 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195129714 548582124 /nfs/dbraw/zinc/58/21/24/548582124.db2.gz PIMANUUVKPLWHR-NSHDSACASA-N -1 1 374.397 2.412 20 0 FEADMM O=S(=O)(Cc1nc(-c2ccoc2)no1)c1nc(Cc2ccccc2)n[n-]1 ZINC000195284001 548612473 /nfs/dbraw/zinc/61/24/73/548612473.db2.gz WHINDABPWVZXON-UHFFFAOYSA-N -1 1 371.378 2.012 20 0 FEADMM O=S(=O)(Cc1nc(-c2ccoc2)no1)c1nnc(Cc2ccccc2)[n-]1 ZINC000195284001 548612476 /nfs/dbraw/zinc/61/24/76/548612476.db2.gz WHINDABPWVZXON-UHFFFAOYSA-N -1 1 371.378 2.012 20 0 FEADMM O=S(=O)(Cc1nc(-c2ccoc2)no1)c1n[n-]c(Cc2ccccc2)n1 ZINC000195284001 548612480 /nfs/dbraw/zinc/61/24/80/548612480.db2.gz WHINDABPWVZXON-UHFFFAOYSA-N -1 1 371.378 2.012 20 0 FEADMM CC(C)(C)c1noc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)n1 ZINC000195287702 548613053 /nfs/dbraw/zinc/61/30/53/548613053.db2.gz QSCCMVYVMMLWMY-UHFFFAOYSA-N -1 1 361.427 2.050 20 0 FEADMM CC(C)(C)c1noc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)n1 ZINC000195287702 548613057 /nfs/dbraw/zinc/61/30/57/548613057.db2.gz QSCCMVYVMMLWMY-UHFFFAOYSA-N -1 1 361.427 2.050 20 0 FEADMM CC(C)(C)c1noc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)n1 ZINC000195287702 548613059 /nfs/dbraw/zinc/61/30/59/548613059.db2.gz QSCCMVYVMMLWMY-UHFFFAOYSA-N -1 1 361.427 2.050 20 0 FEADMM O=C(N[C@H]1CCO[C@H]1C1CC1)c1ccc(I)c([O-])c1 ZINC000230904199 548762693 /nfs/dbraw/zinc/76/26/93/548762693.db2.gz IUNQYKYJETZBRM-AAEUAGOBSA-N -1 1 373.190 2.294 20 0 FEADMM C[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000237464085 548828643 /nfs/dbraw/zinc/82/86/43/548828643.db2.gz MIYQOTBMKOIXCA-MRXNPFEDSA-N -1 1 368.433 2.497 20 0 FEADMM O=C([O-])[C@H]1CCCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000238097455 548877391 /nfs/dbraw/zinc/87/73/91/548877391.db2.gz WJPPQBMZSBFLON-LLVKDONJSA-N -1 1 356.304 2.069 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000243446659 548888865 /nfs/dbraw/zinc/88/88/65/548888865.db2.gz NEZFIGRFEPPKQL-UHFFFAOYSA-N -1 1 374.418 2.166 20 0 FEADMM CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n[nH]1 ZINC000489206438 561405607 /nfs/dbraw/zinc/40/56/07/561405607.db2.gz PHSRRAYNCAKOKF-UWVGGRQHSA-N -1 1 356.386 2.153 20 0 FEADMM CCC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC000490360586 561431829 /nfs/dbraw/zinc/43/18/29/561431829.db2.gz DDIPKWHQSMVAEM-AWEZNQCLSA-N -1 1 363.364 2.453 20 0 FEADMM O=C([O-])C1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000262697931 549840043 /nfs/dbraw/zinc/84/00/43/549840043.db2.gz JAWKJRZDEBSDEN-UHFFFAOYSA-N -1 1 352.188 2.262 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n[nH]1 ZINC000263082554 549876618 /nfs/dbraw/zinc/87/66/18/549876618.db2.gz HAOMKHKRNWUPJJ-CYBMUJFWSA-N -1 1 359.430 2.287 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)c1cccnc1SC(F)(F)F ZINC000268644648 550098789 /nfs/dbraw/zinc/09/87/89/550098789.db2.gz CKYGEWOWGCYXTM-UHFFFAOYSA-N -1 1 365.362 2.148 20 0 FEADMM COC(=O)[C@]1([N-]S(=O)(=O)/C=C/c2ccccc2Cl)CCSC1 ZINC000270245959 550256011 /nfs/dbraw/zinc/25/60/11/550256011.db2.gz MJIQOUJTUIJJQL-MRZGDXHCSA-N -1 1 361.872 2.279 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1O ZINC000270486667 550276870 /nfs/dbraw/zinc/27/68/70/550276870.db2.gz AMTHMSWQOWMCKT-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccsc2C(=O)OC)s1 ZINC000270683145 550296617 /nfs/dbraw/zinc/29/66/17/550296617.db2.gz VOEFOGYAQSYCOF-JTQLQIEISA-N -1 1 369.468 2.203 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)c(=O)[n-]1 ZINC000270742199 550302587 /nfs/dbraw/zinc/30/25/87/550302587.db2.gz LJVAWXKETPSSQA-SNVBAGLBSA-N -1 1 364.475 2.264 20 0 FEADMM CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])[C@@H]1CCOC1 ZINC000271298751 550362320 /nfs/dbraw/zinc/36/23/20/550362320.db2.gz QLXZOLOHCVMOPL-SNVBAGLBSA-N -1 1 362.304 2.364 20 0 FEADMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271536511 550383089 /nfs/dbraw/zinc/38/30/89/550383089.db2.gz UWDIPRDAHANBJQ-YPMHNXCESA-N -1 1 374.434 2.110 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000272241312 550430834 /nfs/dbraw/zinc/43/08/34/550430834.db2.gz NOKNGKRSWUVYES-BBRMVZONSA-N -1 1 356.426 2.169 20 0 FEADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1nnc2n1CCC2 ZINC000272544340 550457202 /nfs/dbraw/zinc/45/72/02/550457202.db2.gz CITPUBUGLFORTM-QMMMGPOBSA-N -1 1 351.204 2.183 20 0 FEADMM Cc1cccc2c1CN(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)CC2 ZINC000277094749 550631319 /nfs/dbraw/zinc/63/13/19/550631319.db2.gz GEOVPGRWBONQNQ-UHFFFAOYSA-N -1 1 350.422 2.075 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3nc(C)sc3C)CC2)n1 ZINC000277687963 550701532 /nfs/dbraw/zinc/70/15/32/550701532.db2.gz KZUVBIHKTIHSIP-UHFFFAOYSA-N -1 1 363.443 2.075 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 ZINC000277770636 550712195 /nfs/dbraw/zinc/71/21/95/550712195.db2.gz RAJICWLMMXNMBZ-UHFFFAOYSA-N -1 1 364.352 2.279 20 0 FEADMM CCCCc1noc(CS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)n1 ZINC000278271908 550767473 /nfs/dbraw/zinc/76/74/73/550767473.db2.gz XWCNERIRNUOZHD-UHFFFAOYSA-N -1 1 365.390 2.310 20 0 FEADMM CCCCc1noc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)n1 ZINC000278271908 550767474 /nfs/dbraw/zinc/76/74/74/550767474.db2.gz XWCNERIRNUOZHD-UHFFFAOYSA-N -1 1 365.390 2.310 20 0 FEADMM C[C@H](O)CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000279024026 550847942 /nfs/dbraw/zinc/84/79/42/550847942.db2.gz AUFOSWSBWHLHDN-AWEZNQCLSA-N -1 1 362.451 2.378 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccnc2F)c1 ZINC000279287994 550873939 /nfs/dbraw/zinc/87/39/39/550873939.db2.gz YKPKYHYGIHUQGM-UHFFFAOYSA-N -1 1 367.402 2.209 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000279357846 550881222 /nfs/dbraw/zinc/88/12/22/550881222.db2.gz CWKSVEFPDRBFAN-HNNXBMFYSA-N -1 1 374.462 2.186 20 0 FEADMM COc1ccc(NC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000279543840 550901372 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O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc([C@H]4CCOC4)cc3)cc21 ZINC000295160886 552964986 /nfs/dbraw/zinc/96/49/86/552964986.db2.gz DKBXZUOLUDLTDR-HNNXBMFYSA-N -1 1 372.446 2.277 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c(OC)c1 ZINC000295190641 552968242 /nfs/dbraw/zinc/96/82/42/552968242.db2.gz KYKKTFADRMKHFO-UHFFFAOYSA-N -1 1 355.334 2.101 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000295259138 552977646 /nfs/dbraw/zinc/97/76/46/552977646.db2.gz IKCUYOBDSGLOTE-KGLIPLIRSA-N -1 1 361.410 2.126 20 0 FEADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000295359075 552994045 /nfs/dbraw/zinc/99/40/45/552994045.db2.gz RJKYIAVINQRFOC-OAHLLOKOSA-N -1 1 362.426 2.337 20 0 FEADMM O=c1[n-]nc([C@H]2CCCN(C[C@@H](O)c3ccccc3C(F)(F)F)C2)o1 ZINC000295415189 553002823 /nfs/dbraw/zinc/00/28/23/553002823.db2.gz SZQUAZHQUHFEIB-GXFFZTMASA-N -1 1 357.332 2.295 20 0 FEADMM CCC[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000295667791 553041894 /nfs/dbraw/zinc/04/18/94/553041894.db2.gz JWQYIMFQERJGQT-HNNXBMFYSA-N -1 1 358.460 2.176 20 0 FEADMM Cc1cccnc1CCCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000296495193 553169596 /nfs/dbraw/zinc/16/95/96/553169596.db2.gz SPBBEHROORQHNM-UHFFFAOYSA-N -1 1 367.453 2.437 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1c(F)ccc(Br)c1F)c1nn[n-]n1 ZINC000502823707 561626711 /nfs/dbraw/zinc/62/67/11/561626711.db2.gz LZMQSMVXXNICTB-ZETCQYMHSA-N -1 1 374.189 2.045 20 0 FEADMM C[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)[C@@H]1OCCc2sccc21 ZINC000298357949 553416173 /nfs/dbraw/zinc/41/61/73/553416173.db2.gz HYQVDHCIZVVBKF-WKEIRZPMSA-N -1 1 357.439 2.227 20 0 FEADMM O=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298902147 553487397 /nfs/dbraw/zinc/48/73/97/553487397.db2.gz LBNSKWVETSMKQO-JTQLQIEISA-N -1 1 357.801 2.319 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)COCC(F)(F)F ZINC000299698574 553602317 /nfs/dbraw/zinc/60/23/17/553602317.db2.gz ZFGYVUAEKORGEP-VIFPVBQESA-N -1 1 374.363 2.068 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CCC(O)CC2)nc1 ZINC000301164895 553627351 /nfs/dbraw/zinc/62/73/51/553627351.db2.gz DFJQOJVWLOCCIG-UHFFFAOYSA-N -1 1 369.393 2.122 20 0 FEADMM O=c1nc(CCCNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)[nH][n-]1 ZINC000301535904 553659008 /nfs/dbraw/zinc/65/90/08/553659008.db2.gz MNRZIHCCFJWIES-UHFFFAOYSA-N -1 1 365.319 2.014 20 0 FEADMM CCSc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000505274320 561669050 /nfs/dbraw/zinc/66/90/50/561669050.db2.gz NFTMAIJHBORUBB-UHFFFAOYSA-N -1 1 372.493 2.247 20 0 FEADMM CCCNC(=O)[C@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000303021108 553743519 /nfs/dbraw/zinc/74/35/19/553743519.db2.gz LULKWWADKSSJMZ-ZDUSSCGKSA-N -1 1 356.426 2.022 20 0 FEADMM CCCNC(=O)[C@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000303021108 553743520 /nfs/dbraw/zinc/74/35/20/553743520.db2.gz LULKWWADKSSJMZ-ZDUSSCGKSA-N -1 1 356.426 2.022 20 0 FEADMM CC1(C)COC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000313020929 553756461 /nfs/dbraw/zinc/75/64/61/553756461.db2.gz AIZMIMGEYBABSZ-LLVKDONJSA-N -1 1 361.179 2.152 20 0 FEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324210666 553771436 /nfs/dbraw/zinc/77/14/36/553771436.db2.gz NYOBVRQMJBWZDO-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000324613641 553772969 /nfs/dbraw/zinc/77/29/69/553772969.db2.gz LPBVUVXIFRZIAH-STQMWFEESA-N -1 1 357.476 2.470 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000324891951 553774068 /nfs/dbraw/zinc/77/40/68/553774068.db2.gz BNJVHGMOSYEPHN-UHFFFAOYSA-N -1 1 368.436 2.257 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000325497999 553776725 /nfs/dbraw/zinc/77/67/25/553776725.db2.gz LSFIPMIKLSBJKP-OAHLLOKOSA-N -1 1 357.472 2.414 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000325550296 553776989 /nfs/dbraw/zinc/77/69/89/553776989.db2.gz DITZWNVPHYAHIL-UHFFFAOYSA-N -1 1 351.428 2.224 20 0 FEADMM CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000327188299 553786761 /nfs/dbraw/zinc/78/67/61/553786761.db2.gz AJSWTNUQQSHSGF-UHFFFAOYSA-N -1 1 370.333 2.422 20 0 FEADMM NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000327298697 553787695 /nfs/dbraw/zinc/78/76/95/553787695.db2.gz POVMSSZVRQPQIJ-UHFFFAOYSA-N -1 1 356.403 2.123 20 0 FEADMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505730837 561678636 /nfs/dbraw/zinc/67/86/36/561678636.db2.gz CIVMIKHUJJTJGU-GXFFZTMASA-N -1 1 366.439 2.065 20 0 FEADMM CCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1 ZINC000505724665 561678690 /nfs/dbraw/zinc/67/86/90/561678690.db2.gz FDERRXMOXBVBKH-UHFFFAOYSA-N -1 1 363.391 2.225 20 0 FEADMM Cn1[n-]c(CSc2nc3ccccc3c(=O)n2C2CCCC2)nc1=O ZINC000329303688 553922002 /nfs/dbraw/zinc/92/20/02/553922002.db2.gz XMOJWSINTHHQAP-UHFFFAOYSA-N -1 1 357.439 2.226 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]C2(c3noc(C)n3)CCCCCC2)on1 ZINC000329486880 553956574 /nfs/dbraw/zinc/95/65/74/553956574.db2.gz RGBNBRZSQWJNNW-UHFFFAOYSA-N -1 1 354.432 2.344 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000507024648 561714548 /nfs/dbraw/zinc/71/45/48/561714548.db2.gz APJAJTINVAACMG-UHFFFAOYSA-N -1 1 363.391 2.153 20 0 FEADMM Cc1cc(N2CCN(Cc3cccc([O-])c3Cl)CC2)n2ncnc2n1 ZINC000507211460 561721416 /nfs/dbraw/zinc/72/14/16/561721416.db2.gz MJPXUMGEQCHTSS-UHFFFAOYSA-N -1 1 358.833 2.114 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000507555672 561732876 /nfs/dbraw/zinc/73/28/76/561732876.db2.gz XZVAKMRMSMRSRU-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM O=C(N=c1nc(-c2ccccn2)[nH][n-]1)c1cccc(OCC(F)(F)F)n1 ZINC000606836473 554094754 /nfs/dbraw/zinc/09/47/54/554094754.db2.gz JUOOWZKIXVRUEH-UHFFFAOYSA-N -1 1 364.287 2.455 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000330445591 554122611 /nfs/dbraw/zinc/12/26/11/554122611.db2.gz VLNXQGDVRGNLNU-SMDDNHRTSA-N -1 1 359.444 2.186 20 0 FEADMM COc1cc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000330523914 554133277 /nfs/dbraw/zinc/13/32/77/554133277.db2.gz UDKPSWWEANSKLH-GHMZBOCLSA-N -1 1 354.428 2.011 20 0 FEADMM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1ccc(C(F)(F)F)nc1 ZINC000330595965 554143488 /nfs/dbraw/zinc/14/34/88/554143488.db2.gz RIHUVZJZGYCVRF-SECBINFHSA-N -1 1 364.267 2.100 20 0 FEADMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000330822056 554175655 /nfs/dbraw/zinc/17/56/55/554175655.db2.gz PIRMGBRWRWQFBC-LLVKDONJSA-N -1 1 354.266 2.364 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000330912147 554187113 /nfs/dbraw/zinc/18/71/13/554187113.db2.gz GOLSNUUJQCTSCB-WDEREUQCSA-N -1 1 362.854 2.404 20 0 FEADMM COCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508531154 561764843 /nfs/dbraw/zinc/76/48/43/561764843.db2.gz LLKVKINSLSZOST-UHFFFAOYSA-N -1 1 370.254 2.483 20 0 FEADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000331227186 554233457 /nfs/dbraw/zinc/23/34/57/554233457.db2.gz DFWAGNRPPNBNLD-NSHDSACASA-N -1 1 361.847 2.094 20 0 FEADMM COc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)cc(Cl)c1[O-] ZINC000331260956 554238181 /nfs/dbraw/zinc/23/81/81/554238181.db2.gz BUMSUNKZTPDZIL-NSHDSACASA-N -1 1 354.834 2.383 20 0 FEADMM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCN(C)[C@H](C)[C@H]3C)s2)cc1 ZINC000331580345 554288529 /nfs/dbraw/zinc/28/85/29/554288529.db2.gz NGXSJXKDNTYTQZ-ZIAGYGMSSA-N -1 1 359.499 2.994 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)C[C@@H]3C)c2)c1 ZINC000331696332 554310296 /nfs/dbraw/zinc/31/02/96/554310296.db2.gz VQVNCODNQRHEOU-WMLDXEAASA-N -1 1 374.462 2.391 20 0 FEADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1O ZINC000331759629 554321687 /nfs/dbraw/zinc/32/16/87/554321687.db2.gz BBYAOXLFRLISGF-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM CC(C)(C)c1noc(CCCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000509280534 561793528 /nfs/dbraw/zinc/79/35/28/561793528.db2.gz VOFJMYWVUGDICC-UHFFFAOYSA-N -1 1 363.418 2.185 20 0 FEADMM O=C(c1ccnc(OCC(F)(F)F)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509277506 561793555 /nfs/dbraw/zinc/79/35/55/561793555.db2.gz USLIUBZVMJPFBA-UHFFFAOYSA-N -1 1 372.303 2.131 20 0 FEADMM C[C@H](Cc1ccccc1Cl)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000331855645 554332151 /nfs/dbraw/zinc/33/21/51/554332151.db2.gz DRFBHINJHBHDCI-LLVKDONJSA-N -1 1 365.890 2.301 20 0 FEADMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000509604256 561807037 /nfs/dbraw/zinc/80/70/37/561807037.db2.gz SJGQZNIVXHVBIM-UHFFFAOYSA-N -1 1 374.422 2.254 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000509647505 561808670 /nfs/dbraw/zinc/80/86/70/561808670.db2.gz ZHTHHAIBORQQAH-UHFFFAOYSA-N -1 1 374.422 2.173 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cnn1C)c1ccc2ccccc2c1 ZINC000510014009 561821882 /nfs/dbraw/zinc/82/18/82/561821882.db2.gz LVMAUDVKURXARG-INIZCTEOSA-N -1 1 373.434 2.074 20 0 FEADMM O=C(Cc1ccccc1Br)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332359285 554432210 /nfs/dbraw/zinc/43/22/10/554432210.db2.gz CLAIJELLGQTQFI-NSHDSACASA-N -1 1 366.215 2.486 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(Cc1ccco1)Cc1cccs1 ZINC000509901174 561817836 /nfs/dbraw/zinc/81/78/36/561817836.db2.gz KNGOERSWFVAWFO-UHFFFAOYSA-N -1 1 371.418 2.401 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H]1Cc1ccccc1Cl ZINC000509902541 561818001 /nfs/dbraw/zinc/81/80/01/561818001.db2.gz ZWPCEZPFGMFLNU-AWEZNQCLSA-N -1 1 373.840 2.404 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)cc(Cl)c1[O-] ZINC000332388835 554437366 /nfs/dbraw/zinc/43/73/66/554437366.db2.gz JIFLNLFLVZPKMC-LBPRGKRZSA-N -1 1 364.833 2.187 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCC1(c2ccccc2)CCCC1 ZINC000509916849 561818331 /nfs/dbraw/zinc/81/83/31/561818331.db2.gz CNYCGDVNUCIXLP-UHFFFAOYSA-N -1 1 353.422 2.145 20 0 FEADMM CN(Cc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ncccc1[O-] ZINC000509922573 561818617 /nfs/dbraw/zinc/81/86/17/561818617.db2.gz BLRVTCUHZLKROK-UHFFFAOYSA-N -1 1 367.327 2.194 20 0 FEADMM C[C@H]1C[C@H]1c1ccc(CN(C(=O)CNC(=O)c2ncccc2[O-])C2CC2)o1 ZINC000509989367 561821001 /nfs/dbraw/zinc/82/10/01/561821001.db2.gz NFYHRRWINVVGEJ-SWLSCSKDSA-N -1 1 369.421 2.425 20 0 FEADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000332526721 554463531 /nfs/dbraw/zinc/46/35/31/554463531.db2.gz CPESWEAGLNHZCE-AWEZNQCLSA-N -1 1 358.438 2.072 20 0 FEADMM Cc1cnc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000332570475 554474094 /nfs/dbraw/zinc/47/40/94/554474094.db2.gz WYKBXKIIIYQYGE-UHFFFAOYSA-N -1 1 357.385 2.269 20 0 FEADMM Cc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)[n-]c(=O)c1C ZINC000332584933 554476827 /nfs/dbraw/zinc/47/68/27/554476827.db2.gz BGNMCEGDVSTQAW-BXKDBHETSA-N -1 1 352.460 2.296 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3sc(C)nc3C)[nH]c21 ZINC000510234673 561829157 /nfs/dbraw/zinc/82/91/57/561829157.db2.gz BTMKZLBDQDNNLW-UHFFFAOYSA-N -1 1 366.424 2.224 20 0 FEADMM C[C@H](N=c1ccc(N2CCO[C@]3(CCCOC3)C2)n[n-]1)c1ccccc1 ZINC000333525752 554621037 /nfs/dbraw/zinc/62/10/37/554621037.db2.gz XAXPGWTXPIOAOX-OXJNMPFZSA-N -1 1 354.454 3.036 20 0 FEADMM C[C@H](N=c1ccc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n[n-]1)c1ccccc1 ZINC000333538509 554621936 /nfs/dbraw/zinc/62/19/36/554621936.db2.gz ZMLRDHKGDIENQN-GUXCAODWSA-N -1 1 354.454 3.034 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)co1 ZINC000350373913 554784977 /nfs/dbraw/zinc/78/49/77/554784977.db2.gz UAPIJZPYNCQXON-UHFFFAOYSA-N -1 1 374.300 2.319 20 0 FEADMM COCCOc1ccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cn1 ZINC000350568043 554798211 /nfs/dbraw/zinc/79/82/11/554798211.db2.gz ODTVQPUCGDXFNL-UHFFFAOYSA-N -1 1 370.365 2.488 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC1CCCC1)c1ccc(Br)o1 ZINC000511258930 561863005 /nfs/dbraw/zinc/86/30/05/561863005.db2.gz IIOZXPCMHWRVPF-SNVBAGLBSA-N -1 1 352.250 2.262 20 0 FEADMM NC(=O)[C@H]1CC(c2nc(-c3ccc([O-])cc3F)no2)=NN1c1ccccc1 ZINC000350812693 554815298 /nfs/dbraw/zinc/81/52/98/554815298.db2.gz LQYVSKVVCASLDV-OAHLLOKOSA-N -1 1 367.340 2.050 20 0 FEADMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1OCC(N)=O ZINC000350809933 554815314 /nfs/dbraw/zinc/81/53/14/554815314.db2.gz CGMIGDQKBABMCI-UHFFFAOYSA-N -1 1 359.313 2.121 20 0 FEADMM CCOCCS(=O)(=O)[N-]Cc1nc(-c2oc3ccccc3c2C)no1 ZINC000350840137 554817083 /nfs/dbraw/zinc/81/70/83/554817083.db2.gz LGESPFHQPKNODL-UHFFFAOYSA-N -1 1 365.411 2.247 20 0 FEADMM Cc1csc(N2CCC(C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2)n1 ZINC000360588398 554881353 /nfs/dbraw/zinc/88/13/53/554881353.db2.gz NBVRVWGJKHMPJN-UHFFFAOYSA-N -1 1 360.365 2.444 20 0 FEADMM CO[C@@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2ncccc2[O-])C1 ZINC000362703029 554981886 /nfs/dbraw/zinc/98/18/86/554981886.db2.gz FFJSLOIKTOPNJE-HIFRSBDPSA-N -1 1 365.393 2.175 20 0 FEADMM CO[C@@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2ncccc2[O-])C1 ZINC000362703030 554981939 /nfs/dbraw/zinc/98/19/39/554981939.db2.gz FFJSLOIKTOPNJE-UKRRQHHQSA-N -1 1 365.393 2.175 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(CN2CCCC2=O)CC1 ZINC000363040727 555016050 /nfs/dbraw/zinc/01/60/50/555016050.db2.gz BOXGMCMBJVLJHH-UHFFFAOYSA-N -1 1 374.485 2.263 20 0 FEADMM CCCCOCCNC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363039619 555016356 /nfs/dbraw/zinc/01/63/56/555016356.db2.gz ZQKRACPIBSKDDZ-UHFFFAOYSA-N -1 1 362.470 2.220 20 0 FEADMM O=C(NCc1ccco1)c1cccc(CNC(=O)c2ncccc2[O-])c1 ZINC000511802512 561880882 /nfs/dbraw/zinc/88/08/82/561880882.db2.gz PCOOWCYDJRMPAU-UHFFFAOYSA-N -1 1 351.362 2.240 20 0 FEADMM C[C@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000363352167 555083915 /nfs/dbraw/zinc/08/39/15/555083915.db2.gz MDLMMFOQCFTOJZ-UTKZUKDTSA-N -1 1 368.433 2.133 20 0 FEADMM COc1cc(-c2ccccc2)sc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363395998 555094460 /nfs/dbraw/zinc/09/44/60/555094460.db2.gz OZWMNBAMFFNMDI-ZDUSSCGKSA-N -1 1 371.422 2.151 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)ccc21 ZINC000363494080 555120121 /nfs/dbraw/zinc/12/01/21/555120121.db2.gz YKZFBGCCTNWQRU-UHFFFAOYSA-N -1 1 369.358 2.026 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c([O-])c1 ZINC000363894141 555208676 /nfs/dbraw/zinc/20/86/76/555208676.db2.gz BPAZRQZPRHTMRJ-SRCQZFHVSA-N -1 1 371.393 2.238 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc(Cl)c1[O-] ZINC000364006409 555232350 /nfs/dbraw/zinc/23/23/50/555232350.db2.gz UIZIXIJNHLAYFJ-UKRRQHHQSA-N -1 1 355.818 2.464 20 0 FEADMM NC(=O)NC1(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CC1 ZINC000616798895 555339796 /nfs/dbraw/zinc/33/97/96/555339796.db2.gz QCXIEPWTIICDHX-UHFFFAOYSA-N -1 1 370.232 2.040 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000364695731 555377475 /nfs/dbraw/zinc/37/74/75/555377475.db2.gz KFHYBSNZAYWDSS-YNEHKIRRSA-N -1 1 368.224 2.210 20 0 FEADMM CN1C(=O)C[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@H]1c1cccs1 ZINC000365400042 555564979 /nfs/dbraw/zinc/56/49/79/555564979.db2.gz YQQLSNLPYLWECV-MUWHJKNJSA-N -1 1 359.333 2.043 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)cnc2n1 ZINC000365597665 555618419 /nfs/dbraw/zinc/61/84/19/555618419.db2.gz QGOJTVHXYWKWRI-WTOJCKNJSA-N -1 1 357.410 2.052 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@]3(CCO[C@H]3C)C1)c2=O ZINC000365597665 555618422 /nfs/dbraw/zinc/61/84/22/555618422.db2.gz QGOJTVHXYWKWRI-WTOJCKNJSA-N -1 1 357.410 2.052 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1Cc3ccccc3OC(C)(C)C1)c2=O ZINC000365618460 555623864 /nfs/dbraw/zinc/62/38/64/555623864.db2.gz POOKFRNYELKENW-UHFFFAOYSA-N -1 1 352.394 2.487 20 0 FEADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@H](c2ccsc2)O1 ZINC000365758785 555661640 /nfs/dbraw/zinc/66/16/40/555661640.db2.gz FVJSHTKFEAAANE-INOOEIPQSA-N -1 1 357.439 2.397 20 0 FEADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1cncc(Cl)c1 ZINC000365836251 555679097 /nfs/dbraw/zinc/67/90/97/555679097.db2.gz OIFJLRJEXFLWMC-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2OC)c1 ZINC000513797125 561950330 /nfs/dbraw/zinc/95/03/30/561950330.db2.gz GFMFAHAFURRYRE-UHFFFAOYSA-N -1 1 367.423 2.374 20 0 FEADMM COC(=O)[C@]12CN(C(=O)c3ccc4ccccc4c3[O-])C[C@H]1COCC2 ZINC000366547466 555873645 /nfs/dbraw/zinc/87/36/45/555873645.db2.gz QREJSYYYPBXMQW-VBKZILBWSA-N -1 1 355.390 2.197 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000366908568 555966001 /nfs/dbraw/zinc/96/60/01/555966001.db2.gz DKZTYVOPWOKGPE-UOJCXKCYSA-N -1 1 355.438 2.325 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C)=C(c3ccco3)C2)o1 ZINC000367342971 556023115 /nfs/dbraw/zinc/02/31/15/556023115.db2.gz LGADIQOPIYZXCN-UHFFFAOYSA-N -1 1 350.396 2.100 20 0 FEADMM O=C(Nc1ccc2c(c1)CCO2)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000367388500 556035340 /nfs/dbraw/zinc/03/53/40/556035340.db2.gz PYROMKFDLSPRON-UHFFFAOYSA-N -1 1 367.336 2.061 20 0 FEADMM Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000367565916 556084451 /nfs/dbraw/zinc/08/44/51/556084451.db2.gz NWFXMLOAQOVNAG-CRAIPNDOSA-N -1 1 364.405 2.029 20 0 FEADMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000367656132 556106184 /nfs/dbraw/zinc/10/61/84/556106184.db2.gz AMHRCCGAZMESEG-SNVBAGLBSA-N -1 1 364.352 2.372 20 0 FEADMM ClC(Cl)(Cl)c1nc(=NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s[n-]1 ZINC000367717587 556121954 /nfs/dbraw/zinc/12/19/54/556121954.db2.gz UNZMCDSNVVOZEQ-HTQZYQBOSA-N -1 1 357.694 2.062 20 0 FEADMM [O-]c1cccnc1CN1CCOC[C@@H]1c1ncnn1Cc1ccccc1 ZINC000514891116 561985310 /nfs/dbraw/zinc/98/53/10/561985310.db2.gz OIZFVPDPAFNQGZ-QGZVFWFLSA-N -1 1 351.410 2.001 20 0 FEADMM COC(=O)[C@@H]1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc21 ZINC000367821478 556147351 /nfs/dbraw/zinc/14/73/51/556147351.db2.gz NWOHPFUKLJMFSK-GDBMZVCRSA-N -1 1 363.373 2.055 20 0 FEADMM COCC[C@@H]1COCCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000367832832 556150113 /nfs/dbraw/zinc/15/01/13/556150113.db2.gz PTIYSXQGERNLFS-GFCCVEGCSA-N -1 1 350.802 2.471 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC3(C2)CCCOC3)c([O-])c1 ZINC000367944804 556179388 /nfs/dbraw/zinc/17/93/88/556179388.db2.gz MTNLNBDKGXTLDS-UHFFFAOYSA-N -1 1 371.393 2.194 20 0 FEADMM O=C([O-])C1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000515176383 561999370 /nfs/dbraw/zinc/99/93/70/561999370.db2.gz LHZSBUWDAQYDPO-AWEZNQCLSA-N -1 1 367.243 2.351 20 0 FEADMM O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1csc(=NC2CC2)[n-]1 ZINC000623036140 556323209 /nfs/dbraw/zinc/32/32/09/556323209.db2.gz SCGHXWARTGOGHM-AWEZNQCLSA-N -1 1 363.464 2.117 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(c2cc(-c3ccccc3F)[nH]n2)CC1 ZINC000368526443 556335851 /nfs/dbraw/zinc/33/58/51/556335851.db2.gz TWQQMYMTJRGQOB-UHFFFAOYSA-N -1 1 367.384 2.279 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1C[C@H](O)C2(CC2)C1 ZINC000368753596 556405885 /nfs/dbraw/zinc/40/58/85/556405885.db2.gz JVJDNQNMWUAIHQ-KRWDZBQOSA-N -1 1 372.446 2.084 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369452931 556603959 /nfs/dbraw/zinc/60/39/59/556603959.db2.gz RILQXUJVKMPBPT-STQMWFEESA-N -1 1 351.472 2.491 20 0 FEADMM O=C([O-])[C@@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000516481837 562044423 /nfs/dbraw/zinc/04/44/23/562044423.db2.gz SCWFDKSDGSSAKP-QZTJIDSGSA-N -1 1 363.421 2.022 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)N3CCC[N@H+](CC(C)C)CC3)cc2=O)cc1 ZINC000369928143 556732597 /nfs/dbraw/zinc/73/25/97/556732597.db2.gz SPATXBNCCYLIPA-UHFFFAOYSA-N -1 1 356.470 2.278 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000370016505 556758407 /nfs/dbraw/zinc/75/84/07/556758407.db2.gz HKQZGBMVSFTGMD-UHFFFAOYSA-N -1 1 373.360 2.153 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000370190495 556806294 /nfs/dbraw/zinc/80/62/94/556806294.db2.gz HLJNXXMMNCKQBY-NSHDSACASA-N -1 1 367.331 2.201 20 0 FEADMM Cc1ccc(O)c(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000370551685 556906666 /nfs/dbraw/zinc/90/66/66/556906666.db2.gz JXKGMCBAPHULSC-UHFFFAOYSA-N -1 1 351.366 2.143 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000370683866 556938859 /nfs/dbraw/zinc/93/88/59/556938859.db2.gz WWCSIHKCGSFBLC-UHFFFAOYSA-N -1 1 351.428 2.301 20 0 FEADMM Cn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000517216992 562079910 /nfs/dbraw/zinc/07/99/10/562079910.db2.gz FCEWUJVEHRMMQX-WFASDCNBSA-N -1 1 365.386 2.114 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)o1 ZINC000371389023 557170663 /nfs/dbraw/zinc/17/06/63/557170663.db2.gz PSKCWWTVDMFHLM-CJNGLKHVSA-N -1 1 365.407 2.122 20 0 FEADMM Cc1nc([C@](C)([N-]S(=O)(=O)Cc2noc3ccccc32)C2CC2)no1 ZINC000517824778 562098720 /nfs/dbraw/zinc/09/87/20/562098720.db2.gz NGMJEIUZRJORRG-MRXNPFEDSA-N -1 1 362.411 2.264 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3cccs3)C[C@@H]2C)o1 ZINC000371740453 557279772 /nfs/dbraw/zinc/27/97/72/557279772.db2.gz DOLULOLLSCIMLZ-QWRGUYRKSA-N -1 1 354.453 2.267 20 0 FEADMM CCC[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)CC1 ZINC000371852735 557311575 /nfs/dbraw/zinc/31/15/75/557311575.db2.gz NDFKUDJPGWFUKJ-UHFFFAOYSA-N -1 1 374.890 2.453 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)CC1 ZINC000371852735 557311576 /nfs/dbraw/zinc/31/15/76/557311576.db2.gz NDFKUDJPGWFUKJ-UHFFFAOYSA-N -1 1 374.890 2.453 20 0 FEADMM COCc1nsc(=N[C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)[n-]1 ZINC000371864206 557314510 /nfs/dbraw/zinc/31/45/10/557314510.db2.gz WQLLOHNJYAXGHF-GXFFZTMASA-N -1 1 353.517 2.194 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cc(S(C)(=O)=O)oc2C)c1Br ZINC000627669693 557470335 /nfs/dbraw/zinc/47/03/35/557470335.db2.gz QJFWJVGNXIWAAL-UHFFFAOYSA-N -1 1 362.205 2.038 20 0 FEADMM CCCCCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000519403683 562131118 /nfs/dbraw/zinc/13/11/18/562131118.db2.gz JAQCVMVHGKSXHF-ZDUSSCGKSA-N -1 1 370.519 2.396 20 0 FEADMM COCCCOc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000519635481 562138085 /nfs/dbraw/zinc/13/80/85/562138085.db2.gz MQVZUUXKDZTLLS-UHFFFAOYSA-N -1 1 361.398 2.210 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-][C@@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000373867691 557776729 /nfs/dbraw/zinc/77/67/29/557776729.db2.gz GCZODXOGXDDPEU-GXTWGEPZSA-N -1 1 353.444 2.388 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-n3cnnn3)c2)c1 ZINC000374463547 557887132 /nfs/dbraw/zinc/88/71/32/557887132.db2.gz WUJQYKHFXLRMKG-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@H]2CCOC2)no1 ZINC000521137702 562170223 /nfs/dbraw/zinc/17/02/23/562170223.db2.gz DWFJGGKSOZHWBF-ZDUSSCGKSA-N -1 1 353.382 2.225 20 0 FEADMM COCc1nc([C@H]2COCCN2C(=O)c2cc3ccccc3cc2[O-])no1 ZINC000374844112 557939532 /nfs/dbraw/zinc/93/95/32/557939532.db2.gz WQMADDQIXOSNEO-OAHLLOKOSA-N -1 1 369.377 2.289 20 0 FEADMM Cc1nc(CO[C@H]2CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000374903243 557948584 /nfs/dbraw/zinc/94/85/84/557948584.db2.gz OUDNSQNETQCWHB-LBPRGKRZSA-N -1 1 351.394 2.111 20 0 FEADMM Cc1cc(S(=O)(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc(C(=O)[O-])c1Cl ZINC000375575678 558051363 /nfs/dbraw/zinc/05/13/63/558051363.db2.gz AEHWJEYDPSVREO-FZMZJTMJSA-N -1 1 372.874 2.061 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)cc1F ZINC000521557559 562178634 /nfs/dbraw/zinc/17/86/34/562178634.db2.gz MRXWFOKNYHESMY-ZETCQYMHSA-N -1 1 362.295 2.019 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC(c4noc(C5CC5)n4)CC3)ccnc1-2 ZINC000376590745 558194659 /nfs/dbraw/zinc/19/46/59/558194659.db2.gz AGMGRCPYMVLASV-STZFKDTASA-N -1 1 367.413 2.014 20 0 FEADMM C[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1-n1cccn1 ZINC000376669853 558205965 /nfs/dbraw/zinc/20/59/65/558205965.db2.gz DZZNSEUMAJCCDZ-UHOOPTBMSA-N -1 1 361.409 2.410 20 0 FEADMM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccc(C)s3)C2=O)c1 ZINC000376766869 558219107 /nfs/dbraw/zinc/21/91/07/558219107.db2.gz ZREYFOIGEDNUER-QGZVFWFLSA-N -1 1 359.407 2.177 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000377162668 558279183 /nfs/dbraw/zinc/27/91/83/558279183.db2.gz MYBSLGDFWDURGN-NSHDSACASA-N -1 1 363.414 2.077 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3CC(C)(C)O[C@@]4(CCCOC4)C3)c2=O)[nH+]1 ZINC000377337966 558319026 /nfs/dbraw/zinc/31/90/26/558319026.db2.gz RQWPYKCTMQUNPT-FQEVSTJZSA-N -1 1 371.437 2.444 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(C)(C)O[C@@]3(CCCOC3)C1)c2=O ZINC000377337966 558319029 /nfs/dbraw/zinc/31/90/29/558319029.db2.gz RQWPYKCTMQUNPT-FQEVSTJZSA-N -1 1 371.437 2.444 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000377622368 558378813 /nfs/dbraw/zinc/37/88/13/558378813.db2.gz IVJQSUBXSFAZDY-GXFFZTMASA-N -1 1 350.365 2.286 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000377969105 558454720 /nfs/dbraw/zinc/45/47/20/558454720.db2.gz TZSKZOPGWHFBMH-UHFFFAOYSA-N -1 1 373.413 2.467 20 0 FEADMM COC(=O)c1ccnc(N2CCC(NC(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000378036599 558467649 /nfs/dbraw/zinc/46/76/49/558467649.db2.gz MDGWBXVLSBATRE-UHFFFAOYSA-N -1 1 373.384 2.112 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)c3nnc4n3CCCCC4)cnc2n1 ZINC000378318457 558528717 /nfs/dbraw/zinc/52/87/17/558528717.db2.gz UWISZDPWMUMPHQ-LBPRGKRZSA-N -1 1 366.425 2.453 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)c1nnc3n1CCCCC3)c2=O ZINC000378318457 558528719 /nfs/dbraw/zinc/52/87/19/558528719.db2.gz UWISZDPWMUMPHQ-LBPRGKRZSA-N -1 1 366.425 2.453 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)ccc1OC ZINC000523529221 562214794 /nfs/dbraw/zinc/21/47/94/562214794.db2.gz ILEXCEWNBULRRS-UHFFFAOYSA-N -1 1 363.391 2.485 20 0 FEADMM CC(C)c1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(O)c(C(C)C)c1 ZINC000378358035 558538255 /nfs/dbraw/zinc/53/82/55/558538255.db2.gz DYEXRDGKEGGECH-HNNXBMFYSA-N -1 1 359.430 2.366 20 0 FEADMM Cc1nnc2n1CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000378484254 558567442 /nfs/dbraw/zinc/56/74/42/558567442.db2.gz KTBUBGHBTKZPQX-VIFPVBQESA-N -1 1 362.242 2.102 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Br)o1 ZINC000408213532 558656949 /nfs/dbraw/zinc/65/69/49/558656949.db2.gz HSKDZOVJDGJVAY-OPRDCNLKSA-N -1 1 350.234 2.278 20 0 FEADMM CN(C)[C@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccs1 ZINC000409548971 558702215 /nfs/dbraw/zinc/70/22/15/558702215.db2.gz MCRMDJUZLJJOBW-CYBMUJFWSA-N -1 1 358.423 2.124 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)co1 ZINC000410189956 558744890 /nfs/dbraw/zinc/74/48/90/558744890.db2.gz IJICOMQHHJRLKY-UHFFFAOYSA-N -1 1 374.422 2.149 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410302260 558750847 /nfs/dbraw/zinc/75/08/47/558750847.db2.gz LXLWJWGRIBMHTR-QMMMGPOBSA-N -1 1 371.224 2.791 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1OC ZINC000525017354 562239436 /nfs/dbraw/zinc/23/94/36/562239436.db2.gz RRKKWLSZGHYNCL-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nn[nH]c3C(N)=O)c2c1 ZINC000410858792 558817523 /nfs/dbraw/zinc/81/75/23/558817523.db2.gz MHGGLIAORLFPDF-UHFFFAOYSA-N -1 1 350.382 2.198 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000525235751 562243629 /nfs/dbraw/zinc/24/36/29/562243629.db2.gz WAVZJXVLNSLIDL-UHFFFAOYSA-N -1 1 357.267 2.320 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c1 ZINC000525532925 562249933 /nfs/dbraw/zinc/24/99/33/562249933.db2.gz KFUCFGNTUPCNBU-UHFFFAOYSA-N -1 1 360.391 2.159 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000525897359 562258963 /nfs/dbraw/zinc/25/89/63/562258963.db2.gz CCCZABZMTBICKS-BBWFWOEESA-N -1 1 368.437 2.169 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc4c3CCO4)cc3c2N1CCC3 ZINC000526035776 562264732 /nfs/dbraw/zinc/26/47/32/562264732.db2.gz ADNCKGOWUPNCTF-UHFFFAOYSA-N -1 1 370.430 2.258 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2ccc(OC(F)(F)F)cc2)[n-]n1 ZINC000413061291 559073884 /nfs/dbraw/zinc/07/38/84/559073884.db2.gz NBOLZKULWGNYPQ-UHFFFAOYSA-N -1 1 354.332 2.780 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(OC)c(Cl)c(OC)c1 ZINC000414388314 559160684 /nfs/dbraw/zinc/16/06/84/559160684.db2.gz LHUNLBMTMUYTKA-UHFFFAOYSA-N -1 1 365.835 2.298 20 0 FEADMM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1Br ZINC000414470171 559167056 /nfs/dbraw/zinc/16/70/56/559167056.db2.gz LBUOWHPCSQTMAR-UHFFFAOYSA-N -1 1 358.217 2.216 20 0 FEADMM C[C@@H](CN(C)C(=O)NCc1nc2cccc(Br)c2[nH]1)C(=O)[O-] ZINC000414604834 559174734 /nfs/dbraw/zinc/17/47/34/559174734.db2.gz BIXKYDQUWRLJGE-QMMMGPOBSA-N -1 1 369.219 2.188 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)[n-]1 ZINC000415636440 559257067 /nfs/dbraw/zinc/25/70/67/559257067.db2.gz LBYUEEIFNADSFH-NSHDSACASA-N -1 1 350.419 2.000 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)n1 ZINC000415636440 559257069 /nfs/dbraw/zinc/25/70/69/559257069.db2.gz LBYUEEIFNADSFH-NSHDSACASA-N -1 1 350.419 2.000 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)n1 ZINC000415635200 559257157 /nfs/dbraw/zinc/25/71/57/559257157.db2.gz CGPOXHRQNQZHCE-UHFFFAOYSA-N -1 1 356.382 2.116 20 0 FEADMM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c1 ZINC000416204095 559298081 /nfs/dbraw/zinc/29/80/81/559298081.db2.gz NGYZSVLYGCGAIC-MFKMUULPSA-N -1 1 359.382 2.128 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000416239065 559300436 /nfs/dbraw/zinc/30/04/36/559300436.db2.gz GXEWXHQJGMAVCU-MCIONIFRSA-N -1 1 355.394 2.305 20 0 FEADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cn1 ZINC000416421597 559311880 /nfs/dbraw/zinc/31/18/80/559311880.db2.gz DRUYXHRJPQLJLT-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM COc1cc2c(cc1OC)CN(CCNc1cccc(C(=O)[O-])n1)CC2 ZINC000416454676 559314081 /nfs/dbraw/zinc/31/40/81/559314081.db2.gz DYVBEDHVTPZFJM-UHFFFAOYSA-N -1 1 357.410 2.267 20 0 FEADMM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416506181 559318441 /nfs/dbraw/zinc/31/84/41/559318441.db2.gz HJQDWBQTXACIDG-SNVBAGLBSA-N -1 1 366.480 2.300 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)ccc2OC)o1 ZINC000416542522 559320724 /nfs/dbraw/zinc/32/07/24/559320724.db2.gz AFIPEKITCAAHRG-NSHDSACASA-N -1 1 353.396 2.423 20 0 FEADMM CC(C)(CN1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000416610360 559325088 /nfs/dbraw/zinc/32/50/88/559325088.db2.gz OGFXQEMNLLEMHI-UHFFFAOYSA-N -1 1 373.327 2.444 20 0 FEADMM CCCC[C@H](NC(=O)[C@@](C)(N)c1ccc(Br)cc1)C(=O)[O-] ZINC000417770152 559375734 /nfs/dbraw/zinc/37/57/34/559375734.db2.gz BNMASZOJYJHWLS-WFASDCNBSA-N -1 1 357.248 2.383 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000420719151 559500356 /nfs/dbraw/zinc/50/03/56/559500356.db2.gz QACSSQDWALVSSO-XCBNKYQSSA-N -1 1 355.218 2.065 20 0 FEADMM Cn1[n-]c(CN2CCCC[C@H]2Cc2cccc(Br)c2)nc1=O ZINC000421031229 559520739 /nfs/dbraw/zinc/52/07/39/559520739.db2.gz CRSSLIPWVVDUNC-AWEZNQCLSA-N -1 1 365.275 2.468 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1cc(OC)c(C(=O)OC)cc1Cl)OC ZINC000421158764 559527522 /nfs/dbraw/zinc/52/75/22/559527522.db2.gz VHTXPLPUBIIBRN-SECBINFHSA-N -1 1 365.835 2.302 20 0 FEADMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000421995532 559559614 /nfs/dbraw/zinc/55/96/14/559559614.db2.gz UQJXVZYNJIMRSP-NWDGAFQWSA-N -1 1 374.441 2.114 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(F)F)c2ccccc2)co1 ZINC000422026027 559561388 /nfs/dbraw/zinc/56/13/88/559561388.db2.gz OGEHZTFFNZXITA-GFCCVEGCSA-N -1 1 358.366 2.314 20 0 FEADMM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C(=O)[O-] ZINC000424424962 559664030 /nfs/dbraw/zinc/66/40/30/559664030.db2.gz PQYBSQKMPBAYHD-ZIAGYGMSSA-N -1 1 363.462 2.318 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424568571 559669684 /nfs/dbraw/zinc/66/96/84/559669684.db2.gz UGBLOHRRQVHPJJ-QLXKLKPCSA-N -1 1 372.490 2.194 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nnc(C3CCC3)n2C)c(F)c1 ZINC000425174491 559689651 /nfs/dbraw/zinc/68/96/51/559689651.db2.gz DTSAALXXRIJYPY-UHFFFAOYSA-N -1 1 356.398 2.148 20 0 FEADMM CCNC(=O)c1ccc(=NCC(CC)(CC)C(=O)OC(C)(C)C)[n-]n1 ZINC000425271172 559694398 /nfs/dbraw/zinc/69/43/98/559694398.db2.gz HMPIJWKINGIFJK-UHFFFAOYSA-N -1 1 350.463 2.786 20 0 FEADMM COC(C)(C)c1nc(C)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)s1 ZINC000425292936 559695076 /nfs/dbraw/zinc/69/50/76/559695076.db2.gz BAKIJOFKVXLCHK-JTQLQIEISA-N -1 1 366.443 2.441 20 0 FEADMM C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425300451 559695445 /nfs/dbraw/zinc/69/54/45/559695445.db2.gz LLGJRLPIIOZPBU-STQMWFEESA-N -1 1 367.409 2.303 20 0 FEADMM CCOCc1nc(C)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)s1 ZINC000425328164 559696992 /nfs/dbraw/zinc/69/69/92/559696992.db2.gz WRTGOWUHSYMPHU-UHFFFAOYSA-N -1 1 352.416 2.096 20 0 FEADMM COc1ccc(NC(=O)N2CC(CC(F)F)C2)cc1[N-]S(C)(=O)=O ZINC000425649559 559712993 /nfs/dbraw/zinc/71/29/93/559712993.db2.gz HZJWCYGAQUQYDF-UHFFFAOYSA-N -1 1 363.386 2.186 20 0 FEADMM CSc1n[nH]c(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)n1 ZINC000426082957 559729012 /nfs/dbraw/zinc/72/90/12/559729012.db2.gz CUBXBBSSPSGBGZ-UHFFFAOYSA-N -1 1 361.427 2.209 20 0 FEADMM COC1CCC(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000426864437 559743228 /nfs/dbraw/zinc/74/32/28/559743228.db2.gz NKIMGGVDEFDOGC-UHFFFAOYSA-N -1 1 370.453 2.004 20 0 FEADMM Cc1cnc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c([O-])c1 ZINC000427248755 559751357 /nfs/dbraw/zinc/75/13/57/559751357.db2.gz IYTJYEKYAYYCOV-UHFFFAOYSA-N -1 1 362.187 2.059 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)cnc1C ZINC000427627239 559759193 /nfs/dbraw/zinc/75/91/93/559759193.db2.gz YRAQEQAKZFOFGL-UHFFFAOYSA-N -1 1 360.395 2.162 20 0 FEADMM C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cc(Cl)ccc1Cl ZINC000428345283 559773657 /nfs/dbraw/zinc/77/36/57/559773657.db2.gz DRNCBIXDIBAWOK-SSDOTTSWSA-N -1 1 352.181 2.215 20 0 FEADMM O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1csc(=NC2CC2)[n-]1 ZINC000430151097 559814232 /nfs/dbraw/zinc/81/42/32/559814232.db2.gz UAXBGBKHXPGHIF-KSSFIOAISA-N -1 1 361.442 2.753 20 0 FEADMM COc1cc(NC(=O)C2C[C@H]3CC[C@@H](C2)C3=O)ccc1[N-]S(C)(=O)=O ZINC000431642387 559843255 /nfs/dbraw/zinc/84/32/55/559843255.db2.gz CQKJUDSSSRTHPY-FOSCPWQOSA-N -1 1 366.439 2.011 20 0 FEADMM C[C@@H](CN=c1[n-]c(C(N)=O)cs1)Oc1ccccc1Br ZINC000432328945 559856640 /nfs/dbraw/zinc/85/66/40/559856640.db2.gz MXYZZFCUSUXENP-QMMMGPOBSA-N -1 1 356.245 2.884 20 0 FEADMM O=C(NCCC1CC(O)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000432449855 559859051 /nfs/dbraw/zinc/85/90/51/559859051.db2.gz VSDGSXZYQYDYRN-UHFFFAOYSA-N -1 1 374.462 2.378 20 0 FEADMM CCOc1cc(C(=O)Nc2cnn(CC(=O)OC)c2C)cc(Cl)c1[O-] ZINC000432725443 559863469 /nfs/dbraw/zinc/86/34/69/559863469.db2.gz NLWPOHNEIQSTNV-UHFFFAOYSA-N -1 1 367.789 2.375 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccnc(C4CC4)n3)c2)n1 ZINC000432938490 559868205 /nfs/dbraw/zinc/86/82/05/559868205.db2.gz LGYROVDPZWVOAI-UHFFFAOYSA-N -1 1 364.409 2.928 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)c1 ZINC000433505934 559883300 /nfs/dbraw/zinc/88/33/00/559883300.db2.gz CVONFPFTLSPEGC-ZDUSSCGKSA-N -1 1 362.451 2.160 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccoc1Cl ZINC000434357140 559898600 /nfs/dbraw/zinc/89/86/00/559898600.db2.gz JWTKNIBRGSNNFV-UHFFFAOYSA-N -1 1 356.787 2.332 20 0 FEADMM Cc1nc(C)c(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000434365616 559898857 /nfs/dbraw/zinc/89/88/57/559898857.db2.gz XOJULFDCJJABSO-UHFFFAOYSA-N -1 1 355.423 2.395 20 0 FEADMM O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CN1 ZINC000435140608 559917018 /nfs/dbraw/zinc/91/70/18/559917018.db2.gz JNJYHQRMJKPIHT-LLVKDONJSA-N -1 1 352.362 2.369 20 0 FEADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc21 ZINC000435186603 559917866 /nfs/dbraw/zinc/91/78/66/559917866.db2.gz NJIYDEAHTWMURW-UHFFFAOYSA-N -1 1 354.391 2.216 20 0 FEADMM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435429748 559922635 /nfs/dbraw/zinc/92/26/35/559922635.db2.gz ZEBKMHFFMWXEIJ-SNVBAGLBSA-N -1 1 374.261 2.444 20 0 FEADMM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)c1 ZINC000435445412 559923413 /nfs/dbraw/zinc/92/34/13/559923413.db2.gz DZTVLBLMXHFGMV-UONOGXRCSA-N -1 1 365.407 2.299 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCc2cnn(-c3ccccc3)c2)n1 ZINC000436189733 559937108 /nfs/dbraw/zinc/93/71/08/559937108.db2.gz XYRASQNVDXSURS-UHFFFAOYSA-N -1 1 369.450 2.339 20 0 FEADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@@H](C)C(=O)OCC ZINC000436339999 559940290 /nfs/dbraw/zinc/94/02/90/559940290.db2.gz UELCVERGDMKZTD-LBPRGKRZSA-N -1 1 369.487 2.335 20 0 FEADMM CCOc1ccncc1S(=O)(=O)[N-]c1cc(C(=O)OC)c(F)cc1F ZINC000436478031 559942494 /nfs/dbraw/zinc/94/24/94/559942494.db2.gz KXWPIVMJEJAQOP-UHFFFAOYSA-N -1 1 372.349 2.346 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cn(Cc3ccccc3)nn2)c1 ZINC000436501836 559943300 /nfs/dbraw/zinc/94/33/00/559943300.db2.gz AVFIUXQSMIFQII-UHFFFAOYSA-N -1 1 352.350 2.071 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](NC(C)=O)c2cccs2)c1 ZINC000436502773 559943390 /nfs/dbraw/zinc/94/33/90/559943390.db2.gz DLDGXHMMIRXGMU-ZDUSSCGKSA-N -1 1 362.407 2.446 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 ZINC000436502496 559943530 /nfs/dbraw/zinc/94/35/30/559943530.db2.gz HKNCGVZRFQFFCT-UHFFFAOYSA-N -1 1 368.345 2.085 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1 ZINC000436518259 559944168 /nfs/dbraw/zinc/94/41/68/559944168.db2.gz JJYPIEZZUQYYLO-UHFFFAOYSA-N -1 1 370.340 2.459 20 0 FEADMM O=C1CNC(=O)c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2N1 ZINC000436523043 559944287 /nfs/dbraw/zinc/94/42/87/559944287.db2.gz YWIDYUHBFUUNSN-UHFFFAOYSA-N -1 1 370.752 2.445 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2[O-])nc1 ZINC000436558469 559945215 /nfs/dbraw/zinc/94/52/15/559945215.db2.gz XYFHSVUHJJPQOT-UHFFFAOYSA-N -1 1 365.183 2.266 20 0 FEADMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000436571036 559945503 /nfs/dbraw/zinc/94/55/03/559945503.db2.gz BPJXQPWVFMXZHS-LBPRGKRZSA-N -1 1 356.378 2.326 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2ccccc2[O-])cc(S(C)(=O)=O)c1 ZINC000436591056 559946147 /nfs/dbraw/zinc/94/61/47/559946147.db2.gz VJRFPYZPTFCGGM-UHFFFAOYSA-N -1 1 363.391 2.225 20 0 FEADMM Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)c(-n2cc(Cl)cn2)n1 ZINC000436596199 559946206 /nfs/dbraw/zinc/94/62/06/559946206.db2.gz PKZLCHIKWXEHLZ-UHFFFAOYSA-N -1 1 370.796 2.434 20 0 FEADMM O=C(NCCOc1ncccc1F)c1ccc(Br)cc1[O-] ZINC000436611931 559946666 /nfs/dbraw/zinc/94/66/66/559946666.db2.gz ZGSLKUXNSLWOII-UHFFFAOYSA-N -1 1 355.163 2.498 20 0 FEADMM COCCO[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436672793 559948415 /nfs/dbraw/zinc/94/84/15/559948415.db2.gz OHUCVIJAJRWPMR-GFCCVEGCSA-N -1 1 358.232 2.422 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCc3cc(Cl)ccc32)c1 ZINC000436670291 559948423 /nfs/dbraw/zinc/94/84/23/559948423.db2.gz DRRGRNKAFRBQHL-UHFFFAOYSA-N -1 1 353.783 2.495 20 0 FEADMM O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000436747564 559950703 /nfs/dbraw/zinc/95/07/03/559950703.db2.gz NQQVWOAAEAKKFY-KRWDZBQOSA-N -1 1 362.376 2.474 20 0 FEADMM CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)c1c([O-])cccc1F ZINC000436892609 559955624 /nfs/dbraw/zinc/95/56/24/559955624.db2.gz KPFGTTOSOBGADS-STQMWFEESA-N -1 1 362.380 2.006 20 0 FEADMM O=C(CCCNC(=O)C1CC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436914115 559956199 /nfs/dbraw/zinc/95/61/99/559956199.db2.gz KOZYPTAQYIQITQ-UHFFFAOYSA-N -1 1 363.805 2.076 20 0 FEADMM O=C(CCCNC(=O)C1CC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436914115 559956200 /nfs/dbraw/zinc/95/62/00/559956200.db2.gz KOZYPTAQYIQITQ-UHFFFAOYSA-N -1 1 363.805 2.076 20 0 FEADMM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)C(=O)c1ccc([O-])cc1 ZINC000436979619 559958220 /nfs/dbraw/zinc/95/82/20/559958220.db2.gz ZKVSZUYQKMIHIM-UHFFFAOYSA-N -1 1 359.345 2.343 20 0 FEADMM CC(C)[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436984370 559958656 /nfs/dbraw/zinc/95/86/56/559958656.db2.gz ARRAWLRRDMDBQQ-QZTJIDSGSA-N -1 1 370.449 2.283 20 0 FEADMM CCCCOc1ccc(C(=O)N=c2cc(-c3nccn3C)[nH][nH]2)c([O-])c1 ZINC000436998818 559959190 /nfs/dbraw/zinc/95/91/90/559959190.db2.gz ZFESRDNMWWLTAG-UHFFFAOYSA-N -1 1 355.398 2.947 20 0 FEADMM O=C(N=c1nc(-c2ccccc2Cl)[nH][n-]1)c1ccc2nccnc2n1 ZINC000438764513 559983173 /nfs/dbraw/zinc/98/31/73/559983173.db2.gz KSDNSDCJMJBGEQ-UHFFFAOYSA-N -1 1 351.757 2.716 20 0 FEADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1F ZINC000439570451 559997098 /nfs/dbraw/zinc/99/70/98/559997098.db2.gz KACJNWHNBWAXRN-UHFFFAOYSA-N -1 1 364.398 2.359 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)C(=O)OCC ZINC000440094444 560004630 /nfs/dbraw/zinc/00/46/30/560004630.db2.gz VNDYQTVIXBNPFI-LQPUYASZSA-N -1 1 352.412 2.145 20 0 FEADMM CCc1ccc(S(=O)(=O)Nc2cc(OC)ccc2O)cc1C(=O)[O-] ZINC000440813985 560018809 /nfs/dbraw/zinc/01/88/09/560018809.db2.gz OEDAVFAFBDAVIB-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM CCOC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCOCC1 ZINC000443075259 560069396 /nfs/dbraw/zinc/06/93/96/560069396.db2.gz RIGAKQOJGUWFMB-AWEZNQCLSA-N -1 1 371.817 2.142 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cccc(N4CCC4=O)c3)cnc2n1 ZINC000443395202 560083100 /nfs/dbraw/zinc/08/31/00/560083100.db2.gz SPFNCYGJTCYIJX-UHFFFAOYSA-N -1 1 362.389 2.311 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cccc(N3CCC3=O)c1)c2=O ZINC000443395202 560083101 /nfs/dbraw/zinc/08/31/01/560083101.db2.gz SPFNCYGJTCYIJX-UHFFFAOYSA-N -1 1 362.389 2.311 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C)n3nnnc3C(C)(C)C)[nH][n-]2)c1 ZINC000444785251 560120655 /nfs/dbraw/zinc/12/06/55/560120655.db2.gz XJTLYJJOXAIENA-LLVKDONJSA-N -1 1 371.420 3.008 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CC[C@H](C)CC3)CC2)n1 ZINC000445099259 560128843 /nfs/dbraw/zinc/12/88/43/560128843.db2.gz FVQRMYJLNNBYHN-MQMHXKEQSA-N -1 1 363.462 2.449 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(CSC)c2)o1 ZINC000445730626 560134468 /nfs/dbraw/zinc/13/44/68/560134468.db2.gz FEAOPZAZBODPDF-UHFFFAOYSA-N -1 1 355.437 2.408 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCOC(C)C)c2)n1 ZINC000447676324 560166434 /nfs/dbraw/zinc/16/64/34/560166434.db2.gz QLJIUDQQPDGHIH-UHFFFAOYSA-N -1 1 360.414 2.080 20 0 FEADMM COc1ccc(NC(=O)c2cc(C)n(C(C)C)n2)cc1[N-]S(C)(=O)=O ZINC000448661627 560193188 /nfs/dbraw/zinc/19/31/88/560193188.db2.gz UFRQCIMXFWGDOC-UHFFFAOYSA-N -1 1 366.443 2.405 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CSC2CC2)c1 ZINC000449160125 560218531 /nfs/dbraw/zinc/21/85/31/560218531.db2.gz KYGICOAHTNJQRT-UHFFFAOYSA-N -1 1 358.485 2.257 20 0 FEADMM CC[S@@](=O)CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000449823023 560241403 /nfs/dbraw/zinc/24/14/03/560241403.db2.gz YOBWWWHFNTYMKY-IBGZPJMESA-N -1 1 362.274 2.608 20 0 FEADMM O=c1ccc(Br)cn1CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000450594077 560267362 /nfs/dbraw/zinc/26/73/62/560267362.db2.gz JIMRIFHETCEYTR-UHFFFAOYSA-N -1 1 369.166 2.015 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C2CC2)c(F)c1 ZINC000451027969 560283441 /nfs/dbraw/zinc/28/34/41/560283441.db2.gz XZRKXXBRFNKLNH-UHFFFAOYSA-N -1 1 364.464 2.150 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(F)F ZINC000451083510 560286130 /nfs/dbraw/zinc/28/61/30/560286130.db2.gz OFSRZHFGAGMQAZ-VIFPVBQESA-N -1 1 370.805 2.030 20 0 FEADMM Cc1c([N-]S(=O)(=O)CCOc2ccc(F)cc2)cnn1[C@H]1CCOC1 ZINC000451098167 560287029 /nfs/dbraw/zinc/28/70/29/560287029.db2.gz GSEFMAQVSPXXAA-AWEZNQCLSA-N -1 1 369.418 2.113 20 0 FEADMM COCC1(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000451338585 560301131 /nfs/dbraw/zinc/30/11/31/560301131.db2.gz YTVZUQIRHPVHRA-AWEZNQCLSA-N -1 1 355.456 2.168 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451468460 560308720 /nfs/dbraw/zinc/30/87/20/560308720.db2.gz RJBWZXONMGPNPC-LBPRGKRZSA-N -1 1 374.871 2.249 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000452671966 560370754 /nfs/dbraw/zinc/37/07/54/560370754.db2.gz ZWVJXOYLDOZVHL-BRWVUGGUSA-N -1 1 372.469 2.136 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000452856138 560376367 /nfs/dbraw/zinc/37/63/67/560376367.db2.gz WHURLSVCJMJTHL-GOEBONIOSA-N -1 1 360.458 2.162 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3cccc(C)c3CC2(C)C)co1 ZINC000452932126 560378308 /nfs/dbraw/zinc/37/83/08/560378308.db2.gz IVAWUVIZVSLINV-UHFFFAOYSA-N -1 1 362.451 2.473 20 0 FEADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H](C)O ZINC000456190951 560510275 /nfs/dbraw/zinc/51/02/75/560510275.db2.gz MHVIQJWEPNQDLY-GUYCJALGSA-N -1 1 362.451 2.377 20 0 FEADMM CCC1(CNC(=O)c2cc(I)ccc2[O-])COC1 ZINC000456488764 560522210 /nfs/dbraw/zinc/52/22/10/560522210.db2.gz ONTLFWRTAVTHJH-UHFFFAOYSA-N -1 1 361.179 2.153 20 0 FEADMM C[C@@H]1C[C@@H](O)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000456990239 560542653 /nfs/dbraw/zinc/54/26/53/560542653.db2.gz FFDTXSRLHZCJBP-RHSMWYFYSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000457016568 560544014 /nfs/dbraw/zinc/54/40/14/560544014.db2.gz VPOSMUKKOUWJNC-RHSMWYFYSA-N -1 1 374.462 2.330 20 0 FEADMM CCC(C)(C)OCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000457345287 560563297 /nfs/dbraw/zinc/56/32/97/560563297.db2.gz PFIREYJIJGOIJX-UHFFFAOYSA-N -1 1 360.476 2.291 20 0 FEADMM CCOC[C@@H]1CCCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000458066019 560601790 /nfs/dbraw/zinc/60/17/90/560601790.db2.gz HNVZNXUGOXWJFS-HNNXBMFYSA-N -1 1 360.458 2.402 20 0 FEADMM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459402234 560684570 /nfs/dbraw/zinc/68/45/70/560684570.db2.gz FPECJXCQSSGHNX-SJORKVTESA-N -1 1 371.437 2.392 20 0 FEADMM CCOc1cc(C[N@H+](CC)[C@@H]2CCNC2=O)cc(Br)c1O ZINC000459523091 560691911 /nfs/dbraw/zinc/69/19/11/560691911.db2.gz GTPQSGQBYWCDQI-GFCCVEGCSA-N -1 1 357.248 2.264 20 0 FEADMM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000460274552 560740347 /nfs/dbraw/zinc/74/03/47/560740347.db2.gz OXUPCRUGPBMRAR-LLVKDONJSA-N -1 1 360.476 2.290 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc(C)c1F ZINC000460834583 560753080 /nfs/dbraw/zinc/75/30/80/560753080.db2.gz HUFWOIMADFOBPJ-UHFFFAOYSA-N -1 1 372.443 2.032 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3c(C)n(C)nc3c2)CCCC1 ZINC000461341099 560767096 /nfs/dbraw/zinc/76/70/96/560767096.db2.gz FKHXJPYKHOXTQJ-UHFFFAOYSA-N -1 1 365.455 2.357 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)c1 ZINC000461341998 560767471 /nfs/dbraw/zinc/76/74/71/560767471.db2.gz MAYQQAIUOZSSNJ-UHFFFAOYSA-N -1 1 373.434 2.398 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)c3noc(COC(C)C)n3)cnc2n1 ZINC000461409004 560770348 /nfs/dbraw/zinc/77/03/48/560770348.db2.gz PXBTWDLFNPQKSI-LLVKDONJSA-N -1 1 371.397 2.443 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)c1noc(COC(C)C)n1)c2=O ZINC000461409004 560770349 /nfs/dbraw/zinc/77/03/49/560770349.db2.gz PXBTWDLFNPQKSI-LLVKDONJSA-N -1 1 371.397 2.443 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000461453732 560772050 /nfs/dbraw/zinc/77/20/50/560772050.db2.gz PZJQWXGNSBPABG-YMRXKLBXSA-N -1 1 360.435 2.289 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(F)cc2)c1 ZINC000461461062 560772353 /nfs/dbraw/zinc/77/23/53/560772353.db2.gz QIWAVHVRXGYDFP-UHFFFAOYSA-N -1 1 352.387 2.011 20 0 FEADMM CCO[C@@H](CC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])C1=CCCC1 ZINC000461460060 560772471 /nfs/dbraw/zinc/77/24/71/560772471.db2.gz ICXWNCIDZDETFT-INIZCTEOSA-N -1 1 368.455 2.144 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000461461251 560772571 /nfs/dbraw/zinc/77/25/71/560772571.db2.gz SHVRIZZGEWLSCA-LBPRGKRZSA-N -1 1 366.464 2.420 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2OC2CC2)c1 ZINC000461465775 560773060 /nfs/dbraw/zinc/77/30/60/560773060.db2.gz QLASLXSVKQVMAX-UHFFFAOYSA-N -1 1 362.407 2.094 20 0 FEADMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cc(C)cnc2N)cc1)C(=O)[O-] ZINC000463779525 560823834 /nfs/dbraw/zinc/82/38/34/560823834.db2.gz UIPSZQJUDQOSAI-ZDUSSCGKSA-N -1 1 363.439 2.426 20 0 FEADMM COc1cc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)ccc1[N-]S(C)(=O)=O ZINC000465251980 560861438 /nfs/dbraw/zinc/86/14/38/560861438.db2.gz OFXGMDVCJRCFHV-RYUDHWBXSA-N -1 1 353.444 2.331 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N(C)c2cc(OC)cc(OC)c2)c1 ZINC000466429610 560886835 /nfs/dbraw/zinc/88/68/35/560886835.db2.gz APULLWQVPLTFFL-UHFFFAOYSA-N -1 1 353.396 2.243 20 0 FEADMM CCN(c1ccc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1)C(C)C ZINC000467864369 560919057 /nfs/dbraw/zinc/91/90/57/560919057.db2.gz NONSIIVBXPJEKM-UHFFFAOYSA-N -1 1 374.514 2.317 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccsc1 ZINC000469072000 560946472 /nfs/dbraw/zinc/94/64/72/560946472.db2.gz WTEYGVQAMKTELA-MEBBXXQBSA-N -1 1 367.448 2.264 20 0 FEADMM CCc1c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cnn1-c1ccccc1 ZINC000469500185 560956535 /nfs/dbraw/zinc/95/65/35/560956535.db2.gz UIBWWKHEBRWQSW-UHFFFAOYSA-N -1 1 374.422 2.188 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F ZINC000470258854 560977536 /nfs/dbraw/zinc/97/75/36/560977536.db2.gz SXXYGFYOGOYYGU-UHFFFAOYSA-N -1 1 368.781 2.042 20 0 FEADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CNC(=O)c3ncccc3[O-])C2)cc1 ZINC000470562890 560984662 /nfs/dbraw/zinc/98/46/62/560984662.db2.gz DUIONHMZHHHKHS-GDBMZVCRSA-N -1 1 353.422 2.230 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000471627595 561009073 /nfs/dbraw/zinc/00/90/73/561009073.db2.gz SAVDKVLGRBATBL-UHFFFAOYSA-N -1 1 353.371 2.351 20 0 FEADMM CCC[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccc(F)cc1F ZINC000473219237 561044596 /nfs/dbraw/zinc/04/45/96/561044596.db2.gz MCTDCTCFDXWAHU-LLVKDONJSA-N -1 1 353.325 2.446 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000473301312 561046950 /nfs/dbraw/zinc/04/69/50/561046950.db2.gz LJIQGCSGRGIBST-UHFFFAOYSA-N -1 1 361.373 2.130 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000474343912 561071728 /nfs/dbraw/zinc/07/17/28/561071728.db2.gz FRVVTPHEINVJRK-QMMMGPOBSA-N -1 1 361.427 2.194 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNC(=O)CC1CCCCC1 ZINC000474645425 561079422 /nfs/dbraw/zinc/07/94/22/561079422.db2.gz FUCFYDOBQJLYHN-UHFFFAOYSA-N -1 1 366.487 2.029 20 0 FEADMM Cc1ccc(-n2ccnc2SCC(=O)NC(C)(C)c2nn[n-]n2)cc1C ZINC000475009158 561087651 /nfs/dbraw/zinc/08/76/51/561087651.db2.gz ODBZIIWXZQLFTB-UHFFFAOYSA-N -1 1 371.470 2.146 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000476392270 561118231 /nfs/dbraw/zinc/11/82/31/561118231.db2.gz NNUDRMPYBKDMFB-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000476483756 561120615 /nfs/dbraw/zinc/12/06/15/561120615.db2.gz BGZJINRGZWRLHA-MLGOLLRUSA-N -1 1 370.471 2.176 20 0 FEADMM COc1ccc(C(=O)CC(C)(C)CC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477027201 561134510 /nfs/dbraw/zinc/13/45/10/561134510.db2.gz TWRKQMIMRWFOQA-UHFFFAOYSA-N -1 1 357.414 2.003 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COC/C=C\c1ccccc1 ZINC000477229724 561139857 /nfs/dbraw/zinc/13/98/57/561139857.db2.gz GDZNLYHJZILKQN-TWGQIWQCSA-N -1 1 366.421 2.398 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000528533061 562334625 /nfs/dbraw/zinc/33/46/25/562334625.db2.gz ACAJPTUXKNGTGS-UHFFFAOYSA-N -1 1 361.345 2.331 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)n1[C@@H]1CCOC1 ZINC000529249718 562366312 /nfs/dbraw/zinc/36/63/12/562366312.db2.gz DZSSIEHKHRGDMG-ZIAGYGMSSA-N -1 1 360.414 2.175 20 0 FEADMM O=C(NCC12CC(C1)CO2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000529876558 562389285 /nfs/dbraw/zinc/38/92/85/562389285.db2.gz JXCSPWLAAVVXSU-UHFFFAOYSA-N -1 1 372.446 2.396 20 0 FEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000530007267 562394243 /nfs/dbraw/zinc/39/42/43/562394243.db2.gz SWISZZUISNAOHA-GFCCVEGCSA-N -1 1 370.427 2.385 20 0 FEADMM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)Nc1cccc(F)c1[O-] ZINC000530007636 562394279 /nfs/dbraw/zinc/39/42/79/562394279.db2.gz ZNQGQCYTNLOHPT-UHFFFAOYSA-N -1 1 358.373 2.294 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3COC3)ccc2C)cc1 ZINC000530111823 562398624 /nfs/dbraw/zinc/39/86/24/562398624.db2.gz HKHXKRASSWIARU-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)[nH]n1 ZINC000530152921 562400208 /nfs/dbraw/zinc/40/02/08/562400208.db2.gz FFPLAZAELLJLPB-UHFFFAOYSA-N -1 1 374.466 2.388 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c(C)n1 ZINC000530152167 562400271 /nfs/dbraw/zinc/40/02/71/562400271.db2.gz ATIVMZSYAQYTGD-UHFFFAOYSA-N -1 1 357.435 2.335 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC000530172836 562401242 /nfs/dbraw/zinc/40/12/42/562401242.db2.gz AZZZPNMSWBJAMS-KBPBESRZSA-N -1 1 369.483 2.433 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)on1 ZINC000530967100 562430192 /nfs/dbraw/zinc/43/01/92/562430192.db2.gz JEQDGFFTZACHSR-LBPRGKRZSA-N -1 1 362.411 2.137 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000531098882 562434612 /nfs/dbraw/zinc/43/46/12/562434612.db2.gz LNFQYENCYRPZBH-UHFFFAOYSA-N -1 1 353.386 2.016 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000531125433 562435472 /nfs/dbraw/zinc/43/54/72/562435472.db2.gz VOBVKSWZWAJAAF-MRXNPFEDSA-N -1 1 350.422 2.438 20 0 FEADMM Cc1cc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000532881610 562491630 /nfs/dbraw/zinc/49/16/30/562491630.db2.gz OJFIXBHOWXBNHV-AWEZNQCLSA-N -1 1 374.416 2.445 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2OC(C)C)co1 ZINC000533689866 562516128 /nfs/dbraw/zinc/51/61/28/562516128.db2.gz KUNKWYSNPXZGNA-GFCCVEGCSA-N -1 1 366.439 2.466 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000533950482 562522208 /nfs/dbraw/zinc/52/22/08/562522208.db2.gz KFXYHGZKPASBBY-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COCc1cccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000534401985 562533455 /nfs/dbraw/zinc/53/34/55/562533455.db2.gz DODWQOSHIDTIDK-UHFFFAOYSA-N -1 1 369.370 2.480 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3S(C)(=O)=O)cc2[nH]1 ZINC000534685417 562540382 /nfs/dbraw/zinc/54/03/82/562540382.db2.gz PEMDZYQWKJVICP-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000536421698 562575088 /nfs/dbraw/zinc/57/50/88/562575088.db2.gz SQNOBUMCCWVTEW-QMMMGPOBSA-N -1 1 362.181 2.469 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)nn1-c1cccc(F)c1 ZINC000540869505 562595049 /nfs/dbraw/zinc/59/50/49/562595049.db2.gz QAFHRSGMVJLIMI-UHFFFAOYSA-N -1 1 355.377 2.032 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000540942543 562597805 /nfs/dbraw/zinc/59/78/05/562597805.db2.gz BORATGAPZPXSLP-UHFFFAOYSA-N -1 1 362.407 2.431 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000541075473 562602249 /nfs/dbraw/zinc/60/22/49/562602249.db2.gz BEZHFWIBFRYIBQ-UHFFFAOYSA-N -1 1 367.354 2.184 20 0 FEADMM CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000556102772 674388047 /nfs/dbraw/zinc/38/80/47/674388047.db2.gz ULSOTTBJSKUJAY-AWEZNQCLSA-N -1 1 360.439 2.422 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000556081040 674387220 /nfs/dbraw/zinc/38/72/20/674387220.db2.gz NPUVAENDSWPHDY-UHFFFAOYSA-N -1 1 359.407 2.331 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3sccc3Cl)[C@@H]2C1 ZINC000556294363 674395493 /nfs/dbraw/zinc/39/54/93/674395493.db2.gz GTBMFRJKDYCIEX-DMDPSCGWSA-N -1 1 362.904 2.327 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccn3)C2)sc1C ZINC000556323774 674397024 /nfs/dbraw/zinc/39/70/24/674397024.db2.gz GDJAMIIEJQIAMZ-TZMCWYRMSA-N -1 1 353.469 2.354 20 0 FEADMM O=S(=O)([N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1sccc1Cl ZINC000556325811 674397307 /nfs/dbraw/zinc/39/73/07/674397307.db2.gz GEECZMLJWQSMND-RYUDHWBXSA-N -1 1 365.904 2.390 20 0 FEADMM COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000601779927 567839483 /nfs/dbraw/zinc/83/94/83/567839483.db2.gz YHLKSMVVSPKAMM-SFHVURJKSA-N -1 1 353.390 2.352 20 0 FEADMM COC(=O)c1ccccc1CC1CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC000602068377 567924719 /nfs/dbraw/zinc/92/47/19/567924719.db2.gz VXZURQZXDRCWJE-UHFFFAOYSA-N -1 1 371.437 2.360 20 0 FEADMM COC[C@@]1(C(=O)OC(C)(C)C)CCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000602964593 568023960 /nfs/dbraw/zinc/02/39/60/568023960.db2.gz RQQGOEFGBPJTPX-LJQANCHMSA-N -1 1 363.458 2.240 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2ccccc2CCC(F)(F)F)n[n-]1 ZINC000603015844 568051862 /nfs/dbraw/zinc/05/18/62/568051862.db2.gz LJIFEHYFJCULJV-UHFFFAOYSA-N -1 1 370.331 2.406 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccccc2CCC(F)(F)F)n1 ZINC000603015844 568051863 /nfs/dbraw/zinc/05/18/63/568051863.db2.gz LJIFEHYFJCULJV-UHFFFAOYSA-N -1 1 370.331 2.406 20 0 FEADMM C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000669120241 568055349 /nfs/dbraw/zinc/05/53/49/568055349.db2.gz RYVMRMOMWJZAQV-RISCZKNCSA-N -1 1 364.396 2.268 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCc2ccc(F)cc2F)[n-]1 ZINC000603155626 568068571 /nfs/dbraw/zinc/06/85/71/568068571.db2.gz PEIMMNIAYZTBBR-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCc2ccc(F)cc2F)n[n-]1 ZINC000603155626 568068570 /nfs/dbraw/zinc/06/85/70/568068570.db2.gz PEIMMNIAYZTBBR-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCc2ccc(F)cc2F)n1 ZINC000603155626 568068572 /nfs/dbraw/zinc/06/85/72/568068572.db2.gz PEIMMNIAYZTBBR-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cscc2Br)n[n-]1 ZINC000603157263 568068842 /nfs/dbraw/zinc/06/88/42/568068842.db2.gz VMRRXJJQGLSXQY-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cscc2Br)[n-]1 ZINC000603157263 568068843 /nfs/dbraw/zinc/06/88/43/568068843.db2.gz VMRRXJJQGLSXQY-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cscc2Br)n1 ZINC000603157263 568068844 /nfs/dbraw/zinc/06/88/44/568068844.db2.gz VMRRXJJQGLSXQY-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000603163370 568069682 /nfs/dbraw/zinc/06/96/82/568069682.db2.gz ICADJHKKSDSPAV-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000603163370 568069683 /nfs/dbraw/zinc/06/96/83/568069683.db2.gz ICADJHKKSDSPAV-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000603163370 568069684 /nfs/dbraw/zinc/06/96/84/568069684.db2.gz ICADJHKKSDSPAV-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CSc2ccc3c(c2)CCC3)n[n-]1 ZINC000603164874 568069978 /nfs/dbraw/zinc/06/99/78/568069978.db2.gz KZYNDMKTMYESTO-NSHDSACASA-N -1 1 374.466 2.440 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CSc2ccc3c(c2)CCC3)[n-]1 ZINC000603164874 568069979 /nfs/dbraw/zinc/06/99/79/568069979.db2.gz KZYNDMKTMYESTO-NSHDSACASA-N -1 1 374.466 2.440 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CSc2ccc3c(c2)CCC3)n1 ZINC000603164874 568069980 /nfs/dbraw/zinc/06/99/80/568069980.db2.gz KZYNDMKTMYESTO-NSHDSACASA-N -1 1 374.466 2.440 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2sccc2Br)n[n-]1 ZINC000603166304 568070239 /nfs/dbraw/zinc/07/02/39/568070239.db2.gz PTGURHQDLXHUSG-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2sccc2Br)[n-]1 ZINC000603166304 568070240 /nfs/dbraw/zinc/07/02/40/568070240.db2.gz PTGURHQDLXHUSG-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2sccc2Br)n1 ZINC000603166304 568070241 /nfs/dbraw/zinc/07/02/41/568070241.db2.gz PTGURHQDLXHUSG-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000603546233 568117871 /nfs/dbraw/zinc/11/78/71/568117871.db2.gz FSHRHBKZFVDCHH-SQWLQELKSA-N -1 1 355.348 2.487 20 0 FEADMM CC(C)C1CCC(N2CCN(C(=O)c3cnc(C(=O)[O-])cn3)CC2)CC1 ZINC000563130517 568262266 /nfs/dbraw/zinc/26/22/66/568262266.db2.gz KGOMJOYVNREQTE-UHFFFAOYSA-N -1 1 360.458 2.147 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000617949112 568290483 /nfs/dbraw/zinc/29/04/83/568290483.db2.gz HTUBMVBDBRAZIF-CYBMUJFWSA-N -1 1 368.437 2.265 20 0 FEADMM Cn1nccc1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737627644 598834137 /nfs/dbraw/zinc/83/41/37/598834137.db2.gz LMDASKCUXWOXKB-UHFFFAOYSA-N -1 1 365.422 2.259 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(Cl)cc1 ZINC000738297632 598855855 /nfs/dbraw/zinc/85/58/55/598855855.db2.gz SQHMHLIRNKGPTA-ZDUSSCGKSA-N -1 1 355.789 2.133 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(Cl)cc1 ZINC000738297632 598855858 /nfs/dbraw/zinc/85/58/58/598855858.db2.gz SQHMHLIRNKGPTA-ZDUSSCGKSA-N -1 1 355.789 2.133 20 0 FEADMM CC[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736401823 598872652 /nfs/dbraw/zinc/87/26/52/598872652.db2.gz YOEMKYHPZICXBR-JTQLQIEISA-N -1 1 355.851 2.473 20 0 FEADMM CC[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736401823 598872653 /nfs/dbraw/zinc/87/26/53/598872653.db2.gz YOEMKYHPZICXBR-JTQLQIEISA-N -1 1 355.851 2.473 20 0 FEADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736224792 598872657 /nfs/dbraw/zinc/87/26/57/598872657.db2.gz ATOZYMDIFZYTQP-NXEZZACHSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736224792 598872658 /nfs/dbraw/zinc/87/26/58/598872658.db2.gz ATOZYMDIFZYTQP-NXEZZACHSA-N -1 1 355.851 2.187 20 0 FEADMM CCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736497480 598875514 /nfs/dbraw/zinc/87/55/14/598875514.db2.gz IHZCYEUIRVILEK-UHFFFAOYSA-N -1 1 363.468 2.425 20 0 FEADMM CCC[C@H](NC(=O)c1cc(Br)cc(N(C)C)c1)c1nn[n-]n1 ZINC000556557964 674406737 /nfs/dbraw/zinc/40/67/37/674406737.db2.gz XSSFYHIRLHQPCQ-LBPRGKRZSA-N -1 1 367.251 2.299 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736747988 598945726 /nfs/dbraw/zinc/94/57/26/598945726.db2.gz VADLHXUZMZNVBL-SFYZADRCSA-N -1 1 355.855 2.036 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736747988 598945727 /nfs/dbraw/zinc/94/57/27/598945727.db2.gz VADLHXUZMZNVBL-SFYZADRCSA-N -1 1 355.855 2.036 20 0 FEADMM O[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000738385306 598975677 /nfs/dbraw/zinc/97/56/77/598975677.db2.gz HFLPCUQXKBQMQO-ZETCQYMHSA-N -1 1 358.761 2.400 20 0 FEADMM O[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000738385306 598975679 /nfs/dbraw/zinc/97/56/79/598975679.db2.gz HFLPCUQXKBQMQO-ZETCQYMHSA-N -1 1 358.761 2.400 20 0 FEADMM Clc1nsc(NCCCOCC2CCOCC2)c1-c1nnn[n-]1 ZINC000737582569 598973741 /nfs/dbraw/zinc/97/37/41/598973741.db2.gz DCUHRNSODGUAIX-UHFFFAOYSA-N -1 1 358.855 2.222 20 0 FEADMM Clc1nsc(NCCCOCC2CCOCC2)c1-c1nn[n-]n1 ZINC000737582569 598973742 /nfs/dbraw/zinc/97/37/42/598973742.db2.gz DCUHRNSODGUAIX-UHFFFAOYSA-N -1 1 358.855 2.222 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCc1cccc(F)c1)C1CC1 ZINC000738259595 599006853 /nfs/dbraw/zinc/00/68/53/599006853.db2.gz SIGXZHAEXJXEDK-UHFFFAOYSA-N -1 1 352.373 2.248 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCc1cccc(F)c1)C1CC1 ZINC000738259595 599006855 /nfs/dbraw/zinc/00/68/55/599006855.db2.gz SIGXZHAEXJXEDK-UHFFFAOYSA-N -1 1 352.373 2.248 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000556672210 674411622 /nfs/dbraw/zinc/41/16/22/674411622.db2.gz WAUVTATWSBFMRU-HNNXBMFYSA-N -1 1 369.418 2.104 20 0 FEADMM O=C1c2ccccc2N[C@H](c2ccc(-c3nnn[n-]3)o2)N1C[C@H]1CCCO1 ZINC000823551292 599117953 /nfs/dbraw/zinc/11/79/53/599117953.db2.gz LRTOIUACRKFACH-DIFFPNOSSA-N -1 1 366.381 2.205 20 0 FEADMM O=C1c2ccccc2N[C@H](c2ccc(-c3nn[n-]n3)o2)N1C[C@H]1CCCO1 ZINC000823551292 599117956 /nfs/dbraw/zinc/11/79/56/599117956.db2.gz LRTOIUACRKFACH-DIFFPNOSSA-N -1 1 366.381 2.205 20 0 FEADMM CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735931946 599136030 /nfs/dbraw/zinc/13/60/30/599136030.db2.gz GRSIVRYCRPFQRJ-UHFFFAOYSA-N -1 1 366.381 2.181 20 0 FEADMM CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735931946 599136031 /nfs/dbraw/zinc/13/60/31/599136031.db2.gz GRSIVRYCRPFQRJ-UHFFFAOYSA-N -1 1 366.381 2.181 20 0 FEADMM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737309708 599143351 /nfs/dbraw/zinc/14/33/51/599143351.db2.gz VSWFAJJVCQTANF-GFCCVEGCSA-N -1 1 351.366 2.307 20 0 FEADMM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737309708 599143354 /nfs/dbraw/zinc/14/33/54/599143354.db2.gz VSWFAJJVCQTANF-GFCCVEGCSA-N -1 1 351.366 2.307 20 0 FEADMM O=C(OCc1ccccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738235519 599144214 /nfs/dbraw/zinc/14/42/14/599144214.db2.gz SEKVPMFJZFVDGL-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM O=C(OCc1ccccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738235519 599144216 /nfs/dbraw/zinc/14/42/16/599144216.db2.gz SEKVPMFJZFVDGL-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(Cl)cc1 ZINC000820270100 599203505 /nfs/dbraw/zinc/20/35/05/599203505.db2.gz VBAMSUDGAPLBQO-JTQLQIEISA-N -1 1 358.789 2.112 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(Cl)cc1 ZINC000820270100 599203507 /nfs/dbraw/zinc/20/35/07/599203507.db2.gz VBAMSUDGAPLBQO-JTQLQIEISA-N -1 1 358.789 2.112 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)N(C)CCC(=O)[O-])N1CCCCC1 ZINC000818631470 596991446 /nfs/dbraw/zinc/99/14/46/596991446.db2.gz YWLMPWMHXILOJJ-INIZCTEOSA-N -1 1 363.458 2.338 20 0 FEADMM Cc1cnc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)s1 ZINC000737445861 599250147 /nfs/dbraw/zinc/25/01/47/599250147.db2.gz KTQDUQVZYGFRJR-UHFFFAOYSA-N -1 1 369.410 2.254 20 0 FEADMM Cc1cnc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)s1 ZINC000737445861 599250149 /nfs/dbraw/zinc/25/01/49/599250149.db2.gz KTQDUQVZYGFRJR-UHFFFAOYSA-N -1 1 369.410 2.254 20 0 FEADMM CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1nnn[n-]1 ZINC000556840248 674423840 /nfs/dbraw/zinc/42/38/40/674423840.db2.gz GBVCQLQDKPRUJM-UHFFFAOYSA-N -1 1 357.443 2.241 20 0 FEADMM CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1nn[n-]n1 ZINC000556840248 674423841 /nfs/dbraw/zinc/42/38/41/674423841.db2.gz GBVCQLQDKPRUJM-UHFFFAOYSA-N -1 1 357.443 2.241 20 0 FEADMM CCCN(C[C@H]1COc2ccccc2O1)c1cccc(-c2nnn[n-]2)n1 ZINC000821094404 607303718 /nfs/dbraw/zinc/30/37/18/607303718.db2.gz IMWXREXBUBGMMZ-ZDUSSCGKSA-N -1 1 352.398 2.318 20 0 FEADMM CCCN(C[C@H]1COc2ccccc2O1)c1cccc(-c2nn[n-]n2)n1 ZINC000821094404 607303719 /nfs/dbraw/zinc/30/37/19/607303719.db2.gz IMWXREXBUBGMMZ-ZDUSSCGKSA-N -1 1 352.398 2.318 20 0 FEADMM CC[C@H](C)[C@@H](OC)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807706113 674424635 /nfs/dbraw/zinc/42/46/35/674424635.db2.gz HUJZWFCHFXCKEO-PJSNJIKXSA-N -1 1 352.397 2.352 20 0 FEADMM O=C([O-])CNC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000821533337 598162765 /nfs/dbraw/zinc/16/27/65/598162765.db2.gz GXWULUHODJPSKK-UHFFFAOYSA-N -1 1 352.219 2.423 20 0 FEADMM CC(C)[C@@H](NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000820041371 598188472 /nfs/dbraw/zinc/18/84/72/598188472.db2.gz FFSBJCIIXPWVSS-CXAGYDPISA-N -1 1 359.382 2.249 20 0 FEADMM CCC(CC)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736341718 598239220 /nfs/dbraw/zinc/23/92/20/598239220.db2.gz HSYGUKFQYXCXGY-UHFFFAOYSA-N -1 1 370.461 2.011 20 0 FEADMM CCC(CC)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736341718 598239222 /nfs/dbraw/zinc/23/92/22/598239222.db2.gz HSYGUKFQYXCXGY-UHFFFAOYSA-N -1 1 370.461 2.011 20 0 FEADMM O=S(=O)(Oc1cc(F)ccc1F)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339263 598253448 /nfs/dbraw/zinc/25/34/48/598253448.db2.gz LEOJVLMXWUCUBZ-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1C(C)C ZINC000737280909 598259389 /nfs/dbraw/zinc/25/93/89/598259389.db2.gz VKIVWTWEDCBRIL-UHFFFAOYSA-N -1 1 359.411 2.461 20 0 FEADMM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1C(C)C ZINC000737280909 598259390 /nfs/dbraw/zinc/25/93/90/598259390.db2.gz VKIVWTWEDCBRIL-UHFFFAOYSA-N -1 1 359.411 2.461 20 0 FEADMM CC(C)CCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735797180 598262958 /nfs/dbraw/zinc/26/29/58/598262958.db2.gz MCWVSPGWAUXZBA-UHFFFAOYSA-N -1 1 352.464 2.147 20 0 FEADMM CC(C)CCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735797180 598262960 /nfs/dbraw/zinc/26/29/60/598262960.db2.gz MCWVSPGWAUXZBA-UHFFFAOYSA-N -1 1 352.464 2.147 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)s1 ZINC000736129892 598263682 /nfs/dbraw/zinc/26/36/82/598263682.db2.gz JMGXLBIQBWIAOG-SSDOTTSWSA-N -1 1 370.847 2.016 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)s1 ZINC000736129892 598263684 /nfs/dbraw/zinc/26/36/84/598263684.db2.gz JMGXLBIQBWIAOG-SSDOTTSWSA-N -1 1 370.847 2.016 20 0 FEADMM CCCCC1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736440792 598268768 /nfs/dbraw/zinc/26/87/68/598268768.db2.gz HHMDENBGCGHVMS-UHFFFAOYSA-N -1 1 364.475 2.289 20 0 FEADMM CCCCC1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736440792 598268769 /nfs/dbraw/zinc/26/87/69/598268769.db2.gz HHMDENBGCGHVMS-UHFFFAOYSA-N -1 1 364.475 2.289 20 0 FEADMM CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735648993 598269944 /nfs/dbraw/zinc/26/99/44/598269944.db2.gz JGNAVDVFJNUTIK-UHFFFAOYSA-N -1 1 372.454 2.038 20 0 FEADMM CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735648993 598269945 /nfs/dbraw/zinc/26/99/45/598269945.db2.gz JGNAVDVFJNUTIK-UHFFFAOYSA-N -1 1 372.454 2.038 20 0 FEADMM CC(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735804387 598270148 /nfs/dbraw/zinc/27/01/48/598270148.db2.gz SIKPWFIDSKPRBO-UHFFFAOYSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735804387 598270150 /nfs/dbraw/zinc/27/01/50/598270150.db2.gz SIKPWFIDSKPRBO-UHFFFAOYSA-N -1 1 364.475 2.241 20 0 FEADMM COc1cccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)c1 ZINC000737139071 598274148 /nfs/dbraw/zinc/27/41/48/598274148.db2.gz KEKSFZZXAOVDFE-UHFFFAOYSA-N -1 1 371.832 2.250 20 0 FEADMM COc1cccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c1 ZINC000737139071 598274149 /nfs/dbraw/zinc/27/41/49/598274149.db2.gz KEKSFZZXAOVDFE-UHFFFAOYSA-N -1 1 371.832 2.250 20 0 FEADMM CC(C)NC(=O)OC1CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000807806363 674430662 /nfs/dbraw/zinc/43/06/62/674430662.db2.gz DKHABEPSJTWLCT-UHFFFAOYSA-N -1 1 357.204 2.114 20 0 FEADMM c1ccc(CNc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)cc1 ZINC000738433933 598338056 /nfs/dbraw/zinc/33/80/56/598338056.db2.gz ZFNMSVOFDNMISR-UHFFFAOYSA-N -1 1 369.439 2.272 20 0 FEADMM Oc1ccc(CCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000738398179 598340913 /nfs/dbraw/zinc/34/09/13/598340913.db2.gz VGXZSCHLFWLCTP-UHFFFAOYSA-N -1 1 351.414 2.212 20 0 FEADMM Oc1ccc(CCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000738398179 598340915 /nfs/dbraw/zinc/34/09/15/598340915.db2.gz VGXZSCHLFWLCTP-UHFFFAOYSA-N -1 1 351.414 2.212 20 0 FEADMM CN(Cc1cc(Br)cs1)c1nccnc1-c1nnn[n-]1 ZINC000736814447 598344204 /nfs/dbraw/zinc/34/42/04/598344204.db2.gz JODHJNYFGLLOAG-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CN(Cc1cc(Br)cs1)c1nccnc1-c1nn[n-]n1 ZINC000736814447 598344206 /nfs/dbraw/zinc/34/42/06/598344206.db2.gz JODHJNYFGLLOAG-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM FC(F)(F)c1ccc(OCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737635488 598345701 /nfs/dbraw/zinc/34/57/01/598345701.db2.gz HTTGTHPGWMXGBR-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1ccc(OCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737635488 598345702 /nfs/dbraw/zinc/34/57/02/598345702.db2.gz HTTGTHPGWMXGBR-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM CN(CCCc1cc(-c2ccccc2)no1)c1nccnc1-c1nnn[n-]1 ZINC000736797311 598351989 /nfs/dbraw/zinc/35/19/89/598351989.db2.gz GMGPPYZWJRIYQP-UHFFFAOYSA-N -1 1 362.397 2.381 20 0 FEADMM CN(CCCc1cc(-c2ccccc2)no1)c1nccnc1-c1nn[n-]n1 ZINC000736797311 598351991 /nfs/dbraw/zinc/35/19/91/598351991.db2.gz GMGPPYZWJRIYQP-UHFFFAOYSA-N -1 1 362.397 2.381 20 0 FEADMM CCc1nn(Cc2cccc(OC(C)C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705813 598377591 /nfs/dbraw/zinc/37/75/91/598377591.db2.gz BDKRLOOWNFJMCB-UHFFFAOYSA-N -1 1 368.441 2.384 20 0 FEADMM CC[C@H](Sc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2)C(N)=O ZINC000736389020 598378278 /nfs/dbraw/zinc/37/82/78/598378278.db2.gz AQBLMBDPBSZNNT-LBPRGKRZSA-N -1 1 370.438 2.366 20 0 FEADMM O=C(Nc1nc[nH]n1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738211754 598401298 /nfs/dbraw/zinc/40/12/98/598401298.db2.gz XUNIUTPAIZGUQN-UHFFFAOYSA-N -1 1 366.316 2.169 20 0 FEADMM O=C(Nc1nc[nH]n1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738211754 598401299 /nfs/dbraw/zinc/40/12/99/598401299.db2.gz XUNIUTPAIZGUQN-UHFFFAOYSA-N -1 1 366.316 2.169 20 0 FEADMM Cc1nn(-c2ccccc2)c(COc2cc(C)c(C)nn2)c1-c1nn[n-]n1 ZINC000737281446 598420167 /nfs/dbraw/zinc/42/01/67/598420167.db2.gz YZTUTVPOFHUUGQ-UHFFFAOYSA-N -1 1 362.397 2.347 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000737140106 598450157 /nfs/dbraw/zinc/45/01/57/598450157.db2.gz CNHIFFZRTISKRA-UHFFFAOYSA-N -1 1 365.802 2.330 20 0 FEADMM c1cc(NCc2cnc3c(-c4nnn[n-]4)cnn3c2)n(C2CCCCC2)n1 ZINC000738419926 598467064 /nfs/dbraw/zinc/46/70/64/598467064.db2.gz SWIXQFHIASUDNI-UHFFFAOYSA-N -1 1 364.417 2.223 20 0 FEADMM c1cc(NCc2cnc3c(-c4nn[n-]n4)cnn3c2)n(C2CCCCC2)n1 ZINC000738419926 598467065 /nfs/dbraw/zinc/46/70/65/598467065.db2.gz SWIXQFHIASUDNI-UHFFFAOYSA-N -1 1 364.417 2.223 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1noc(-c2cccc(F)c2)n1 ZINC000823294692 607359149 /nfs/dbraw/zinc/35/91/49/607359149.db2.gz NFMCKCCSQHVEEO-UHFFFAOYSA-N -1 1 367.300 2.014 20 0 FEADMM Cc1cc([C@@H]2CCCN2CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)on1 ZINC000822198852 607364313 /nfs/dbraw/zinc/36/43/13/607364313.db2.gz MCPFNVDLCZWCJK-LBPRGKRZSA-N -1 1 371.401 2.149 20 0 FEADMM Cc1noc([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000737533565 598745064 /nfs/dbraw/zinc/74/50/64/598745064.db2.gz DAYSTWVRLPXIHL-SSDOTTSWSA-N -1 1 352.811 2.052 20 0 FEADMM Cc1noc([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000737533565 598745066 /nfs/dbraw/zinc/74/50/66/598745066.db2.gz DAYSTWVRLPXIHL-SSDOTTSWSA-N -1 1 352.811 2.052 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@H](O)c1ccccc1 ZINC000808340668 674454265 /nfs/dbraw/zinc/45/42/65/674454265.db2.gz QJXPXRKTRRNPHC-RNCFNFMXSA-N -1 1 360.229 2.443 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccco2)C1 ZINC000820726656 599327352 /nfs/dbraw/zinc/32/73/52/599327352.db2.gz AATQUTUHSSVNFF-BXUZGUMPSA-N -1 1 374.426 2.017 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccco2)C1 ZINC000820726656 599327356 /nfs/dbraw/zinc/32/73/56/599327356.db2.gz AATQUTUHSSVNFF-BXUZGUMPSA-N -1 1 374.426 2.017 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820768233 599374291 /nfs/dbraw/zinc/37/42/91/599374291.db2.gz LTYIKFDMVDNVEQ-MEDUHNTESA-N -1 1 373.413 2.388 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821971090 599415655 /nfs/dbraw/zinc/41/56/55/599415655.db2.gz XJICWABIOUPHIL-SECBINFHSA-N -1 1 362.459 2.388 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627682 599423855 /nfs/dbraw/zinc/42/38/55/599423855.db2.gz OIFXZBXHNBGEOW-LBPRGKRZSA-N -1 1 359.434 2.321 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627682 599423856 /nfs/dbraw/zinc/42/38/56/599423856.db2.gz OIFXZBXHNBGEOW-LBPRGKRZSA-N -1 1 359.434 2.321 20 0 FEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736054790 599604112 /nfs/dbraw/zinc/60/41/12/599604112.db2.gz AAELMXOKJRKSTJ-QMMMGPOBSA-N -1 1 365.319 2.183 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000739451925 599779621 /nfs/dbraw/zinc/77/96/21/599779621.db2.gz MAGIMOIHTXUFDW-HNNXBMFYSA-N -1 1 373.340 2.147 20 0 FEADMM Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000738760668 599808683 /nfs/dbraw/zinc/80/86/83/599808683.db2.gz JPNAMPWUYSKAAI-LIRRHRJNSA-N -1 1 359.426 2.049 20 0 FEADMM COc1cccc([C@@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)N2CCCC2)c1 ZINC000738090701 599839900 /nfs/dbraw/zinc/83/99/00/599839900.db2.gz HYYAMGVMGQBRBG-IAGOWNOFSA-N -1 1 363.458 2.241 20 0 FEADMM O=C([O-])C[C@@H]1CCCC[N@H+]1CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000739638912 599840360 /nfs/dbraw/zinc/84/03/60/599840360.db2.gz DWANJHWCIPDMAX-SOGBHIHOSA-N -1 1 357.410 2.208 20 0 FEADMM O=C([O-])C[C@@H]1CCCCN1CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000739638912 599840361 /nfs/dbraw/zinc/84/03/61/599840361.db2.gz DWANJHWCIPDMAX-SOGBHIHOSA-N -1 1 357.410 2.208 20 0 FEADMM O=C([O-])c1cc(F)ccc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000740080221 599959333 /nfs/dbraw/zinc/95/93/33/599959333.db2.gz ZVYGIUPIVCFNFM-IBGZPJMESA-N -1 1 358.413 2.375 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738872186 599983036 /nfs/dbraw/zinc/98/30/36/599983036.db2.gz DKGWEJJVYCNMRV-UHFFFAOYSA-N -1 1 358.329 2.070 20 0 FEADMM CC(C)n1nccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000392093265 600052917 /nfs/dbraw/zinc/05/29/17/600052917.db2.gz CSZHIWCNUGBXFR-UHFFFAOYSA-N -1 1 353.400 2.118 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000736280590 600092766 /nfs/dbraw/zinc/09/27/66/600092766.db2.gz HFDWTKTVDVHEQA-CQSZACIVSA-N -1 1 350.415 2.363 20 0 FEADMM CCC[C@](C)(NCC(=O)Nc1sc(C)c(C)c1C(=O)OC)C(=O)[O-] ZINC000736963593 600151429 /nfs/dbraw/zinc/15/14/29/600151429.db2.gz JOTWZUPADQCIBO-INIZCTEOSA-N -1 1 356.444 2.323 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c(F)cc1F ZINC000740089620 600236080 /nfs/dbraw/zinc/23/60/80/600236080.db2.gz GYXJQBXIBFTHQD-UHFFFAOYSA-N -1 1 355.322 2.131 20 0 FEADMM COC(=O)[C@H]1CC12CCN([C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC000737578511 600290743 /nfs/dbraw/zinc/29/07/43/600290743.db2.gz DUYWJZJBUSGPFC-UKRRQHHQSA-N -1 1 374.437 2.295 20 0 FEADMM C[C@H](OCCCNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736700881 600303221 /nfs/dbraw/zinc/30/32/21/600303221.db2.gz OASSPMDSYDFGNM-FUHWJXTLSA-N -1 1 374.481 2.457 20 0 FEADMM O=C([O-])COc1cccc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000738611815 600463545 /nfs/dbraw/zinc/46/35/45/600463545.db2.gz BYCYTPWFXJCHAU-UHFFFAOYSA-N -1 1 367.365 2.257 20 0 FEADMM O=C([O-])COc1cccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000738611815 600463547 /nfs/dbraw/zinc/46/35/47/600463547.db2.gz BYCYTPWFXJCHAU-UHFFFAOYSA-N -1 1 367.365 2.257 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000605292053 600483321 /nfs/dbraw/zinc/48/33/21/600483321.db2.gz BBTJDZZNCJQZDP-UHFFFAOYSA-N -1 1 362.407 2.477 20 0 FEADMM COc1cc(NC(=O)c2nnc3ccccc3c2O)c(C(=O)[O-])cc1OC ZINC000737896975 600483802 /nfs/dbraw/zinc/48/38/02/600483802.db2.gz ZURISXWPXAPLLS-UHFFFAOYSA-N -1 1 369.333 2.303 20 0 FEADMM Cc1oc(NC(=O)CN2CCOc3cc(C)ccc32)c(-c2nn[n-]n2)c1C ZINC000822280605 607453386 /nfs/dbraw/zinc/45/33/86/607453386.db2.gz TUVCOCZPFACIDN-UHFFFAOYSA-N -1 1 368.397 2.222 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000676230510 600558213 /nfs/dbraw/zinc/55/82/13/600558213.db2.gz MBDYKWCMPFMXIM-UHFFFAOYSA-N -1 1 356.426 2.415 20 0 FEADMM Cc1ccc2nc(CNC(=O)NCCOc3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000832959028 600749513 /nfs/dbraw/zinc/74/95/13/600749513.db2.gz OWRVAOQBOHUSIG-UHFFFAOYSA-N -1 1 368.393 2.448 20 0 FEADMM O=C([O-])[C@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1ccccc1 ZINC000833136239 600781186 /nfs/dbraw/zinc/78/11/86/600781186.db2.gz YSHKFARNQHQJLI-CYBMUJFWSA-N -1 1 369.402 2.222 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000832956123 600781317 /nfs/dbraw/zinc/78/13/17/600781317.db2.gz ZBEFZKRAJGHYQN-OKILXGFUSA-N -1 1 354.472 2.234 20 0 FEADMM COc1ccc(Cl)cc1C[C@H]1CCCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000738014723 600796790 /nfs/dbraw/zinc/79/67/90/600796790.db2.gz YYGKFSYYQKQGPT-CHWSQXEVSA-N -1 1 368.861 2.192 20 0 FEADMM COc1ccc(C2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC000571928548 600798683 /nfs/dbraw/zinc/79/86/83/600798683.db2.gz BQCVMBRKAFYTDH-UHFFFAOYSA-N -1 1 360.454 2.198 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)ccc1C ZINC000831353386 600827619 /nfs/dbraw/zinc/82/76/19/600827619.db2.gz IPSHUKPGZQGPBG-UHFFFAOYSA-N -1 1 370.408 2.046 20 0 FEADMM COc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000674334008 600897711 /nfs/dbraw/zinc/89/77/11/600897711.db2.gz BAYWXESQHOBAAJ-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM Cc1n[nH]c(SCC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000832990592 600981015 /nfs/dbraw/zinc/98/10/15/600981015.db2.gz GBEXNKLVPXLYTC-CHWSQXEVSA-N -1 1 352.460 2.087 20 0 FEADMM Cc1nnc(SCC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])[nH]1 ZINC000832990592 600981014 /nfs/dbraw/zinc/98/10/14/600981014.db2.gz GBEXNKLVPXLYTC-CHWSQXEVSA-N -1 1 352.460 2.087 20 0 FEADMM COc1ccc(CNC(=O)c2c(C)n[nH]c2C(F)(F)F)cc1C(=O)[O-] ZINC000832336113 601081138 /nfs/dbraw/zinc/08/11/38/601081138.db2.gz JKHBZPRXAHLXJR-UHFFFAOYSA-N -1 1 357.288 2.374 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000827380736 601106397 /nfs/dbraw/zinc/10/63/97/601106397.db2.gz WOAGJSPAXRFZKM-SNVBAGLBSA-N -1 1 359.398 2.017 20 0 FEADMM O=C([O-])Nc1cc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)ccc1F ZINC000833283791 601128382 /nfs/dbraw/zinc/12/83/82/601128382.db2.gz WFNVDEVYHZRZJV-GFCCVEGCSA-N -1 1 366.393 2.102 20 0 FEADMM CCOc1ccc(OC)cc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000830088956 601132951 /nfs/dbraw/zinc/13/29/51/601132951.db2.gz QHYSSGWNOVNGSV-CYBMUJFWSA-N -1 1 365.430 2.107 20 0 FEADMM CCN(C(=O)CN[C@](C)(COC)CC(=O)[O-])c1nc2ccccc2s1 ZINC000829597826 601135027 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20 0 FEADMM CC(C)(CO)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000824162792 607633219 /nfs/dbraw/zinc/63/32/19/607633219.db2.gz OIJDSIFVOYKFRK-ZDUSSCGKSA-N -1 1 371.466 2.460 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNCc1ccc(Br)cn1 ZINC000826126638 603562604 /nfs/dbraw/zinc/56/26/04/603562604.db2.gz PHDQJEBFFKUIMA-BXKDBHETSA-N -1 1 358.236 2.437 20 0 FEADMM C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-])N1CCc2ccccc2C1 ZINC000824939819 603682696 /nfs/dbraw/zinc/68/26/96/603682696.db2.gz PUMSVEOHASBDGK-KYJSFNMBSA-N -1 1 374.485 2.169 20 0 FEADMM O=S(=O)(N[C@H]1C[C@@H]1C1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488641 607648223 /nfs/dbraw/zinc/64/82/23/607648223.db2.gz VGICKMAJRWEDAN-YPMHNXCESA-N -1 1 365.434 2.253 20 0 FEADMM O=S(=O)(N[C@H]1C[C@@H]1C1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488641 607648224 /nfs/dbraw/zinc/64/82/24/607648224.db2.gz VGICKMAJRWEDAN-YPMHNXCESA-N -1 1 365.434 2.253 20 0 FEADMM CC(C)[C@@H](CCN(C)CC(=O)N1CCc2sccc2C1)NC(=O)[O-] ZINC000824098300 603825890 /nfs/dbraw/zinc/82/58/90/603825890.db2.gz HBSNOEDADAEEEX-CQSZACIVSA-N -1 1 353.488 2.247 20 0 FEADMM O=C([O-])N1CCc2cccc(CNCc3ccnc(N4CCOCC4)c3)c21 ZINC000832086484 603851104 /nfs/dbraw/zinc/85/11/04/603851104.db2.gz GCNLNPQESCTMJN-UHFFFAOYSA-N -1 1 368.437 2.249 20 0 FEADMM CC(C)[C@H](CCN(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1)NC(=O)[O-] ZINC000824098420 603852104 /nfs/dbraw/zinc/85/21/04/603852104.db2.gz HMIZCEVGUHCLKC-OLZOCXBDSA-N -1 1 367.412 2.401 20 0 FEADMM C[C@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CCN1C(=O)[O-] ZINC000825997180 603887365 /nfs/dbraw/zinc/88/73/65/603887365.db2.gz XDCDGIHRHWWQRK-LSDHHAIUSA-N -1 1 364.446 2.200 20 0 FEADMM CN(C[C@H]1CCCN1C(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC000828218023 604000523 /nfs/dbraw/zinc/00/05/23/604000523.db2.gz DINKJKUWNIOLBJ-SECBINFHSA-N -1 1 357.204 2.369 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1CNC(=O)[O-])c1ccco1 ZINC000827035113 604072648 /nfs/dbraw/zinc/07/26/48/604072648.db2.gz JMNZMUONVPDTJW-UONOGXRCSA-N -1 1 352.435 2.104 20 0 FEADMM C[C@H](C(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000825200894 604224341 /nfs/dbraw/zinc/22/43/41/604224341.db2.gz IQPBGWCBLZYBFA-UXLLHSPISA-N -1 1 359.470 2.328 20 0 FEADMM Cn1cc(CNc2snc(Cl)c2-c2nnn[n-]2)c(C(F)(F)F)n1 ZINC000826362040 607680748 /nfs/dbraw/zinc/68/07/48/607680748.db2.gz AWQHYOMUOJXWOK-UHFFFAOYSA-N -1 1 364.744 2.341 20 0 FEADMM Cn1cc(CNc2snc(Cl)c2-c2nn[n-]n2)c(C(F)(F)F)n1 ZINC000826362040 607680750 /nfs/dbraw/zinc/68/07/50/607680750.db2.gz AWQHYOMUOJXWOK-UHFFFAOYSA-N -1 1 364.744 2.341 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCCOc2ccc3c(c2)CCC3)CC1 ZINC000827361877 604299120 /nfs/dbraw/zinc/29/91/20/604299120.db2.gz GMTMRTKWXOEXJC-INIZCTEOSA-N -1 1 374.481 2.342 20 0 FEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCCN(C(=O)C(C)C)CC2)c1 ZINC000832048975 604478136 /nfs/dbraw/zinc/47/81/36/604478136.db2.gz BRIJRBDIUUQUHM-KRWDZBQOSA-N -1 1 364.442 2.020 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000833286541 604499254 /nfs/dbraw/zinc/49/92/54/604499254.db2.gz SGYPCMPRPQUCIH-BEFAXECRSA-N -1 1 361.442 2.020 20 0 FEADMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000825383348 604613075 /nfs/dbraw/zinc/61/30/75/604613075.db2.gz PMTUUOKGQXSGKY-AWEZNQCLSA-N -1 1 360.458 2.395 20 0 FEADMM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000831393679 604635030 /nfs/dbraw/zinc/63/50/30/604635030.db2.gz JTPMGHJNMYOBNK-DOMZBBRYSA-N -1 1 374.397 2.122 20 0 FEADMM CCn1cc(CN2CCCN(Cc3ccc(C(=O)[O-])cc3F)CC2)cn1 ZINC000833682563 604757363 /nfs/dbraw/zinc/75/73/63/604757363.db2.gz PTFLARATSSVFAX-UHFFFAOYSA-N -1 1 360.433 2.448 20 0 FEADMM Cc1ccc(C)c(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1 ZINC000826284336 607717710 /nfs/dbraw/zinc/71/77/10/607717710.db2.gz QQRRIAXZOVCMTR-UHFFFAOYSA-N -1 1 374.404 2.385 20 0 FEADMM C[C@@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825107755 604896523 /nfs/dbraw/zinc/89/65/23/604896523.db2.gz IAQSWAVEDPRPOL-KOLCDFICSA-N -1 1 366.805 2.162 20 0 FEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)n[nH]1 ZINC000833672435 605021231 /nfs/dbraw/zinc/02/12/31/605021231.db2.gz AJJSHNGIZGVSOS-MRVPVSSYSA-N -1 1 367.793 2.367 20 0 FEADMM CC(C)COC[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])c1ccco1 ZINC000566179192 605022462 /nfs/dbraw/zinc/02/24/62/605022462.db2.gz JNHMLBFUDFMDFG-SNVBAGLBSA-N -1 1 374.440 2.127 20 0 FEADMM CC(C)(O)[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833463507 605048770 /nfs/dbraw/zinc/04/87/70/605048770.db2.gz IISPCNHGTHTXOJ-LBPRGKRZSA-N -1 1 352.456 2.109 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(F)cc1Cl ZINC000833622659 605052042 /nfs/dbraw/zinc/05/20/42/605052042.db2.gz FQGPRPCHDNSNBP-LBPRGKRZSA-N -1 1 371.840 2.212 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000833626815 605053360 /nfs/dbraw/zinc/05/33/60/605053360.db2.gz RJKWDCDABKRKCX-VYDXJSESSA-N -1 1 369.506 2.018 20 0 FEADMM C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)[O-])cc3c2C1 ZINC000833617659 605075137 /nfs/dbraw/zinc/07/51/37/605075137.db2.gz UVLOIURHMGAULW-ZMZPIMSZSA-N -1 1 366.421 2.442 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000833624610 605100398 /nfs/dbraw/zinc/10/03/98/605100398.db2.gz JIZHJOWZTAKYEM-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000833621236 605103316 /nfs/dbraw/zinc/10/33/16/605103316.db2.gz MWQJIOSPVNKJFI-MZBZXASESA-N -1 1 371.231 2.063 20 0 FEADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833589067 605151621 /nfs/dbraw/zinc/15/16/21/605151621.db2.gz UCVSGJCGYCTGKM-FPDPHYFHSA-N -1 1 372.465 2.227 20 0 FEADMM COc1cc2ccccc2cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833730007 605163499 /nfs/dbraw/zinc/16/34/99/605163499.db2.gz LAHKCJCXPNGKQU-CQSZACIVSA-N -1 1 356.422 2.469 20 0 FEADMM O[C@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCc2ccccc21 ZINC000826506047 607739399 /nfs/dbraw/zinc/73/93/99/607739399.db2.gz LRWSTPULUBLDDU-IBGZPJMESA-N -1 1 359.393 2.056 20 0 FEADMM O[C@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCc2ccccc21 ZINC000826506047 607739400 /nfs/dbraw/zinc/73/94/00/607739400.db2.gz LRWSTPULUBLDDU-IBGZPJMESA-N -1 1 359.393 2.056 20 0 FEADMM C[C@H]1Cc2ccc(Br)cc2CN1CCC(=O)N(C)CC(=O)[O-] ZINC000833633423 605217319 /nfs/dbraw/zinc/21/73/19/605217319.db2.gz VRKZKBLCUNYSDZ-NSHDSACASA-N -1 1 369.259 2.129 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCN1CCC(=O)[O-] ZINC000833618211 605256155 /nfs/dbraw/zinc/25/61/55/605256155.db2.gz LZHDPYAXHVVMQE-UHOFOFEASA-N -1 1 350.846 2.451 20 0 FEADMM COCCN1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@@H]1C ZINC000833724418 605264580 /nfs/dbraw/zinc/26/45/80/605264580.db2.gz LZOSIYQIJQIHGD-SWLSCSKDSA-N -1 1 360.376 2.484 20 0 FEADMM COC[C@@](C)(CC(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000833721709 605266572 /nfs/dbraw/zinc/26/65/72/605266572.db2.gz FHIMHMINCITSHB-OAHLLOKOSA-N -1 1 356.785 2.029 20 0 FEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(c3nc4ccccc4o3)[C@@H](C)C2)O1 ZINC000833579336 605333985 /nfs/dbraw/zinc/33/39/85/605333985.db2.gz LRLWPWAMKTYDBE-GXTWGEPZSA-N -1 1 357.410 2.486 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000825815333 605370871 /nfs/dbraw/zinc/37/08/71/605370871.db2.gz BYPYOWGZZQEWNY-KCXAZCMYSA-N -1 1 366.437 2.259 20 0 FEADMM C[C@H](CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)NC(=O)[O-] ZINC000833800673 605374144 /nfs/dbraw/zinc/37/41/44/605374144.db2.gz PUADFQDHMGBWRN-TZMCWYRMSA-N -1 1 357.414 2.224 20 0 FEADMM O=C([O-])N1CC[C@@H](C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834070510 605374657 /nfs/dbraw/zinc/37/46/57/605374657.db2.gz AVWGCNAXJBOHNL-HUUCEWRRSA-N -1 1 369.425 2.178 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@@H]21 ZINC000834184702 605441316 /nfs/dbraw/zinc/44/13/16/605441316.db2.gz RIKXCKZIRKBUEL-XFBWCDHKSA-N -1 1 358.394 2.367 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@@H]21 ZINC000834184702 605441319 /nfs/dbraw/zinc/44/13/19/605441319.db2.gz RIKXCKZIRKBUEL-XFBWCDHKSA-N -1 1 358.394 2.367 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N[C@@H]1CCOC1 ZINC000826441890 607758994 /nfs/dbraw/zinc/75/89/94/607758994.db2.gz AKZHBHIFASZPTB-CYBMUJFWSA-N -1 1 370.438 2.183 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)NCC2(NC(=O)[O-])CCCCCC2)n[nH]1 ZINC000830036735 605566717 /nfs/dbraw/zinc/56/67/17/605566717.db2.gz ZLUKRJSDAXWCAL-GFCCVEGCSA-N -1 1 351.451 2.309 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)C[C@H](NC(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000826057390 605573224 /nfs/dbraw/zinc/57/32/24/605573224.db2.gz IHAZWNREYQENKS-INMHGKMJSA-N -1 1 363.458 2.001 20 0 FEADMM O=C([O-])N1CCC(CCN2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC000834077603 605599191 /nfs/dbraw/zinc/59/91/91/605599191.db2.gz GINDJHNYJXAYNR-UHFFFAOYSA-N -1 1 355.376 2.285 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)n[nH]1 ZINC000830031471 605699398 /nfs/dbraw/zinc/69/93/98/605699398.db2.gz VQULTWBZQPMROP-BJJXKVORSA-N -1 1 363.462 2.213 20 0 FEADMM CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833792147 605899064 /nfs/dbraw/zinc/89/90/64/605899064.db2.gz ZZXQMTIMDKDYNH-CQSZACIVSA-N -1 1 363.462 2.257 20 0 FEADMM C[C@H](C[C@H]1CCCCCN1C(=O)[O-])NCc1nnnn1-c1ccccc1 ZINC000833803134 605942094 /nfs/dbraw/zinc/94/20/94/605942094.db2.gz HQVMNSRYMUIPPV-GDBMZVCRSA-N -1 1 358.446 2.453 20 0 FEADMM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000833826464 606030110 /nfs/dbraw/zinc/03/01/10/606030110.db2.gz HAHDPQQIPZKNDG-UGSOOPFHSA-N -1 1 357.414 2.304 20 0 FEADMM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000833826464 606030115 /nfs/dbraw/zinc/03/01/15/606030115.db2.gz HAHDPQQIPZKNDG-UGSOOPFHSA-N -1 1 357.414 2.304 20 0 FEADMM Cc1nn(-c2ccccc2)c(CSc2cnccn2)c1-c1nn[n-]n1 ZINC000822486246 606049403 /nfs/dbraw/zinc/04/94/03/606049403.db2.gz CULWULNUEGSMHL-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM O=C([O-])Nc1cnc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000834280492 606055227 /nfs/dbraw/zinc/05/52/27/606055227.db2.gz SVYKEAMNYOZKPL-UHFFFAOYSA-N -1 1 373.388 2.100 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)CCOC3CN(C(=O)[O-])C3)[nH]c2c1 ZINC000833907851 606082674 /nfs/dbraw/zinc/08/26/74/606082674.db2.gz VPSSAHRZZCAEBD-MRXNPFEDSA-N -1 1 372.425 2.304 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821449571 606102883 /nfs/dbraw/zinc/10/28/83/606102883.db2.gz VFIYJVNUUSGZQH-VCQIMIBNSA-N -1 1 371.470 2.302 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821449571 606102884 /nfs/dbraw/zinc/10/28/84/606102884.db2.gz VFIYJVNUUSGZQH-VCQIMIBNSA-N -1 1 371.470 2.302 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000822005595 606120492 /nfs/dbraw/zinc/12/04/92/606120492.db2.gz SQISZGHDIHIOKF-ZIAGYGMSSA-N -1 1 370.457 2.165 20 0 FEADMM COc1ccc(COCCOC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821823730 606132607 /nfs/dbraw/zinc/13/26/07/606132607.db2.gz BNNVVLBYKKSPSJ-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM COc1ccc(COCCOC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821823730 606132608 /nfs/dbraw/zinc/13/26/08/606132608.db2.gz BNNVVLBYKKSPSJ-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000822604996 606159892 /nfs/dbraw/zinc/15/98/92/606159892.db2.gz TZOBQZFQHPRKSF-UHFFFAOYSA-N -1 1 368.376 2.061 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000822604996 606159894 /nfs/dbraw/zinc/15/98/94/606159894.db2.gz TZOBQZFQHPRKSF-UHFFFAOYSA-N -1 1 368.376 2.061 20 0 FEADMM Cc1ccccc1CC(C)(C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822355902 606161599 /nfs/dbraw/zinc/16/15/99/606161599.db2.gz ARRIUYOQCNOYQO-UHFFFAOYSA-N -1 1 354.418 2.051 20 0 FEADMM Cc1ccccc1CC(C)(C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822355902 606161601 /nfs/dbraw/zinc/16/16/01/606161601.db2.gz ARRIUYOQCNOYQO-UHFFFAOYSA-N -1 1 354.418 2.051 20 0 FEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820668107 606165262 /nfs/dbraw/zinc/16/52/62/606165262.db2.gz PKHOXZFHWUMSGB-ZYHUDNBSSA-N -1 1 370.392 2.149 20 0 FEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820668107 606165263 /nfs/dbraw/zinc/16/52/63/606165263.db2.gz PKHOXZFHWUMSGB-ZYHUDNBSSA-N -1 1 370.392 2.149 20 0 FEADMM Cc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822233501 606165521 /nfs/dbraw/zinc/16/55/21/606165521.db2.gz QESLQHWTKCBICH-CQSZACIVSA-N -1 1 352.402 2.278 20 0 FEADMM Cc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822233501 606165523 /nfs/dbraw/zinc/16/55/23/606165523.db2.gz QESLQHWTKCBICH-CQSZACIVSA-N -1 1 352.402 2.278 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820379573 606171443 /nfs/dbraw/zinc/17/14/43/606171443.db2.gz DKSFLQWRYYLVRF-LURJTMIESA-N -1 1 352.811 2.198 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820379573 606171445 /nfs/dbraw/zinc/17/14/45/606171445.db2.gz DKSFLQWRYYLVRF-LURJTMIESA-N -1 1 352.811 2.198 20 0 FEADMM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820944884 606172367 /nfs/dbraw/zinc/17/23/67/606172367.db2.gz PSPHPRZYNKUSBY-CYBMUJFWSA-N -1 1 355.406 2.000 20 0 FEADMM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820944884 606172368 /nfs/dbraw/zinc/17/23/68/606172368.db2.gz PSPHPRZYNKUSBY-CYBMUJFWSA-N -1 1 355.406 2.000 20 0 FEADMM CCc1cccc(OCC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c1 ZINC000821491916 606237643 /nfs/dbraw/zinc/23/76/43/606237643.db2.gz CFNITEPGCFVRRK-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM CCc1cccc(OCC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c1 ZINC000821491916 606237644 /nfs/dbraw/zinc/23/76/44/606237644.db2.gz CFNITEPGCFVRRK-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823289094 606274810 /nfs/dbraw/zinc/27/48/10/606274810.db2.gz AYTNPFLOKMMUSQ-UHFFFAOYSA-N -1 1 372.348 2.422 20 0 FEADMM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823289094 606274812 /nfs/dbraw/zinc/27/48/12/606274812.db2.gz AYTNPFLOKMMUSQ-UHFFFAOYSA-N -1 1 372.348 2.422 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1COc2ccc(Cl)cc2C1 ZINC000823294621 606294862 /nfs/dbraw/zinc/29/48/62/606294862.db2.gz KNQOHICBKINQPO-LLVKDONJSA-N -1 1 371.784 2.416 20 0 FEADMM COc1cccnc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810204814 674537126 /nfs/dbraw/zinc/53/71/26/674537126.db2.gz ZQKFNZBUFVOLQX-JTQLQIEISA-N -1 1 360.336 2.013 20 0 FEADMM COc1cccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)c1 ZINC000821862616 606392246 /nfs/dbraw/zinc/39/22/46/606392246.db2.gz DEYNVPWFSYMIAI-WQLSENKSSA-N -1 1 353.363 2.281 20 0 FEADMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1C ZINC000820909058 606448511 /nfs/dbraw/zinc/44/85/11/606448511.db2.gz STUFHGVDEPLCGN-CQSZACIVSA-N -1 1 352.398 2.158 20 0 FEADMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1C ZINC000820909058 606448513 /nfs/dbraw/zinc/44/85/13/606448513.db2.gz STUFHGVDEPLCGN-CQSZACIVSA-N -1 1 352.398 2.158 20 0 FEADMM OC[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000823706758 606452576 /nfs/dbraw/zinc/45/25/76/606452576.db2.gz ORAAUNAKYDLKEZ-JTQLQIEISA-N -1 1 350.835 2.240 20 0 FEADMM OC[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000823706758 606452577 /nfs/dbraw/zinc/45/25/77/606452577.db2.gz ORAAUNAKYDLKEZ-JTQLQIEISA-N -1 1 350.835 2.240 20 0 FEADMM COCCOc1cccc(COC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000821693641 606470271 /nfs/dbraw/zinc/47/02/71/606470271.db2.gz HQDXFZZMYQIMOQ-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000822693434 606497122 /nfs/dbraw/zinc/49/71/22/606497122.db2.gz DMJOBZSBPCJLQR-AWEZNQCLSA-N -1 1 365.422 2.181 20 0 FEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822693434 606497123 /nfs/dbraw/zinc/49/71/23/606497123.db2.gz DMJOBZSBPCJLQR-AWEZNQCLSA-N -1 1 365.422 2.181 20 0 FEADMM CCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821422068 606509998 /nfs/dbraw/zinc/50/99/98/606509998.db2.gz LNMLQVWIRQSQBA-UHFFFAOYSA-N -1 1 359.411 2.266 20 0 FEADMM CCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821422068 606510000 /nfs/dbraw/zinc/51/00/00/606510000.db2.gz LNMLQVWIRQSQBA-UHFFFAOYSA-N -1 1 359.411 2.266 20 0 FEADMM O=C(Nc1ccc(CN2CCOC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323461 606516363 /nfs/dbraw/zinc/51/63/63/606516363.db2.gz OTQAQTODSHTWDF-UHFFFAOYSA-N -1 1 370.394 2.133 20 0 FEADMM O=C(Nc1ccc(CN2CCOC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323461 606516365 /nfs/dbraw/zinc/51/63/65/606516365.db2.gz OTQAQTODSHTWDF-UHFFFAOYSA-N -1 1 370.394 2.133 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820390194 606527034 /nfs/dbraw/zinc/52/70/34/606527034.db2.gz FYNLMMZJBDLNOD-SSDOTTSWSA-N -1 1 355.383 2.001 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820390194 606527036 /nfs/dbraw/zinc/52/70/36/606527036.db2.gz FYNLMMZJBDLNOD-SSDOTTSWSA-N -1 1 355.383 2.001 20 0 FEADMM CCCCOc1ncccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821077797 606534175 /nfs/dbraw/zinc/53/41/75/606534175.db2.gz UFBNPSAQBYDPML-UHFFFAOYSA-N -1 1 358.427 2.432 20 0 FEADMM CCCCOc1ncccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821077797 606534176 /nfs/dbraw/zinc/53/41/76/606534176.db2.gz UFBNPSAQBYDPML-UHFFFAOYSA-N -1 1 358.427 2.432 20 0 FEADMM COCCOc1ccc(F)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821693639 606546900 /nfs/dbraw/zinc/54/69/00/606546900.db2.gz HMLZROVOFYZZAV-UHFFFAOYSA-N -1 1 363.374 2.345 20 0 FEADMM COCCOc1ccc(F)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821693639 606546901 /nfs/dbraw/zinc/54/69/01/606546901.db2.gz HMLZROVOFYZZAV-UHFFFAOYSA-N -1 1 363.374 2.345 20 0 FEADMM O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350347 606549244 /nfs/dbraw/zinc/54/92/44/606549244.db2.gz KBNOQTRQBYIEQH-UHFFFAOYSA-N -1 1 374.401 2.156 20 0 FEADMM O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350347 606549247 /nfs/dbraw/zinc/54/92/47/606549247.db2.gz KBNOQTRQBYIEQH-UHFFFAOYSA-N -1 1 374.401 2.156 20 0 FEADMM COC(=O)CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821660658 606553877 /nfs/dbraw/zinc/55/38/77/606553877.db2.gz YYDWOVBBSFUKCC-GFCCVEGCSA-N -1 1 371.422 2.353 20 0 FEADMM COC(=O)CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821660658 606553879 /nfs/dbraw/zinc/55/38/79/606553879.db2.gz YYDWOVBBSFUKCC-GFCCVEGCSA-N -1 1 371.422 2.353 20 0 FEADMM COc1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821837957 606575811 /nfs/dbraw/zinc/57/58/11/606575811.db2.gz IJQIVKFYWNLIGG-JTQLQIEISA-N -1 1 359.411 2.134 20 0 FEADMM COc1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821837957 606575813 /nfs/dbraw/zinc/57/58/13/606575813.db2.gz IJQIVKFYWNLIGG-JTQLQIEISA-N -1 1 359.411 2.134 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000823435889 606649207 /nfs/dbraw/zinc/64/92/07/606649207.db2.gz CSGAARZTZGZTCJ-AUUYWEPGSA-N -1 1 363.377 2.045 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000823435889 606649208 /nfs/dbraw/zinc/64/92/08/606649208.db2.gz CSGAARZTZGZTCJ-AUUYWEPGSA-N -1 1 363.377 2.045 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)nc1 ZINC000823436496 606653749 /nfs/dbraw/zinc/65/37/49/606653749.db2.gz YDRSYRBOBNFPNR-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)nc1 ZINC000823436496 606653750 /nfs/dbraw/zinc/65/37/50/606653750.db2.gz YDRSYRBOBNFPNR-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cn(-c2ccccc2)nn1 ZINC000820511873 606654185 /nfs/dbraw/zinc/65/41/85/606654185.db2.gz DSYUSOCZMCYTJW-SNVBAGLBSA-N -1 1 367.394 2.427 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1cn(-c2ccccc2)nn1 ZINC000820511873 606654186 /nfs/dbraw/zinc/65/41/86/606654186.db2.gz DSYUSOCZMCYTJW-SNVBAGLBSA-N -1 1 367.394 2.427 20 0 FEADMM O=C(O[C@@H](c1ncccn1)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823391907 606765098 /nfs/dbraw/zinc/76/50/98/606765098.db2.gz IHVOROWMHUMANN-CQSZACIVSA-N -1 1 351.370 2.140 20 0 FEADMM O=C(O[C@@H](c1ncccn1)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823391907 606765099 /nfs/dbraw/zinc/76/50/99/606765099.db2.gz IHVOROWMHUMANN-CQSZACIVSA-N -1 1 351.370 2.140 20 0 FEADMM O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cncc([O-])c1 ZINC000559544547 674546924 /nfs/dbraw/zinc/54/69/24/674546924.db2.gz WAVUYFUCOWWYBI-UHFFFAOYSA-N -1 1 374.198 2.442 20 0 FEADMM CN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821592426 606841146 /nfs/dbraw/zinc/84/11/46/606841146.db2.gz FNNSQIAPGXQHTK-HNNXBMFYSA-N -1 1 373.413 2.314 20 0 FEADMM C[C@@H](c1cccs1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820570770 606841653 /nfs/dbraw/zinc/84/16/53/606841653.db2.gz QZSKULDLMCXEPX-VIFPVBQESA-N -1 1 367.431 2.449 20 0 FEADMM CC(C)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820038738 606843164 /nfs/dbraw/zinc/84/31/64/606843164.db2.gz QVFYONADBWZXRT-CYBMUJFWSA-N -1 1 353.423 2.205 20 0 FEADMM COC(=O)c1cccc(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000821670127 606877346 /nfs/dbraw/zinc/87/73/46/606877346.db2.gz OKNVFCDGXFWQIO-UHFFFAOYSA-N -1 1 350.791 2.375 20 0 FEADMM COC(=O)c1cccc(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000821670127 606877347 /nfs/dbraw/zinc/87/73/47/606877347.db2.gz OKNVFCDGXFWQIO-UHFFFAOYSA-N -1 1 350.791 2.375 20 0 FEADMM O=C(COC/C=C/c1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823032385 606925223 /nfs/dbraw/zinc/92/52/23/606925223.db2.gz RSRHKLAOJTXUHC-QPJJXVBHSA-N -1 1 351.366 2.035 20 0 FEADMM O=C(COC/C=C/c1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823032385 606925231 /nfs/dbraw/zinc/92/52/31/606925231.db2.gz RSRHKLAOJTXUHC-QPJJXVBHSA-N -1 1 351.366 2.035 20 0 FEADMM O[C@@H](C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823675801 607034150 /nfs/dbraw/zinc/03/41/50/607034150.db2.gz ZRORRQXSNDISEG-ZETCQYMHSA-N -1 1 368.772 2.116 20 0 FEADMM O[C@@H](C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823675801 607034151 /nfs/dbraw/zinc/03/41/51/607034151.db2.gz ZRORRQXSNDISEG-ZETCQYMHSA-N -1 1 368.772 2.116 20 0 FEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820231020 607045658 /nfs/dbraw/zinc/04/56/58/607045658.db2.gz AALPMKZJXMRDID-GXFFZTMASA-N -1 1 351.370 2.327 20 0 FEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820231020 607045659 /nfs/dbraw/zinc/04/56/59/607045659.db2.gz AALPMKZJXMRDID-GXFFZTMASA-N -1 1 351.370 2.327 20 0 FEADMM O=C(c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)N1CC(O)C1 ZINC000823493942 607062699 /nfs/dbraw/zinc/06/26/99/607062699.db2.gz WPLKUDUHYVROND-UHFFFAOYSA-N -1 1 371.784 2.129 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C[C@H]2CC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548291 607090933 /nfs/dbraw/zinc/09/09/33/607090933.db2.gz HGTIVIYKHLMZEQ-SKDRFNHKSA-N -1 1 361.402 2.385 20 0 FEADMM Cc1oc(NC(=O)[C@@H](C)N2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822540951 607104885 /nfs/dbraw/zinc/10/48/85/607104885.db2.gz HZYXNEZMYUPCGV-GFCCVEGCSA-N -1 1 374.445 2.049 20 0 FEADMM CC1=NN(c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2)CC1 ZINC000820643268 607107305 /nfs/dbraw/zinc/10/73/05/607107305.db2.gz STBCYWGXWKBRJZ-UHFFFAOYSA-N -1 1 354.399 2.162 20 0 FEADMM CC1=NN(c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2)CC1 ZINC000820643268 607107307 /nfs/dbraw/zinc/10/73/07/607107307.db2.gz STBCYWGXWKBRJZ-UHFFFAOYSA-N -1 1 354.399 2.162 20 0 FEADMM CCOc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821417850 607108404 /nfs/dbraw/zinc/10/84/04/607108404.db2.gz USJLPDIXTVSTJV-UHFFFAOYSA-N -1 1 372.410 2.324 20 0 FEADMM CCOc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821417850 607108406 /nfs/dbraw/zinc/10/84/06/607108406.db2.gz USJLPDIXTVSTJV-UHFFFAOYSA-N -1 1 372.410 2.324 20 0 FEADMM C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824390837 607802057 /nfs/dbraw/zinc/80/20/57/607802057.db2.gz DTHLCSTXYPONIA-LLVKDONJSA-N -1 1 371.422 2.180 20 0 FEADMM C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824390837 607802058 /nfs/dbraw/zinc/80/20/58/607802058.db2.gz DTHLCSTXYPONIA-LLVKDONJSA-N -1 1 371.422 2.180 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826472850 607802665 /nfs/dbraw/zinc/80/26/65/607802665.db2.gz YUEXVPLLMVZBDM-SFHVURJKSA-N -1 1 367.434 2.242 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826472850 607802666 /nfs/dbraw/zinc/80/26/66/607802666.db2.gz YUEXVPLLMVZBDM-SFHVURJKSA-N -1 1 367.434 2.242 20 0 FEADMM COc1ccccc1[C@@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826219142 607864362 /nfs/dbraw/zinc/86/43/62/607864362.db2.gz UNNCFYSIWNWEOT-LLVKDONJSA-N -1 1 371.372 2.271 20 0 FEADMM COc1ccccc1[C@@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826219142 607864363 /nfs/dbraw/zinc/86/43/63/607864363.db2.gz UNNCFYSIWNWEOT-LLVKDONJSA-N -1 1 371.372 2.271 20 0 FEADMM COc1ccc(C(C)(C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826187772 607999197 /nfs/dbraw/zinc/99/91/97/607999197.db2.gz DVNYQOWJWXADRB-UHFFFAOYSA-N -1 1 353.382 2.497 20 0 FEADMM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826213309 608030227 /nfs/dbraw/zinc/03/02/27/608030227.db2.gz SPIMOISRQRUCDW-NSHDSACASA-N -1 1 367.365 2.086 20 0 FEADMM Cc1oc(NC(=O)CN(C)[C@H](C)c2cccnc2)c(-c2nn[n-]n2)c1C ZINC000826342102 608086153 /nfs/dbraw/zinc/08/61/53/608086153.db2.gz YEGDPHXAPKABNG-LLVKDONJSA-N -1 1 355.402 2.103 20 0 FEADMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824968996 608106444 /nfs/dbraw/zinc/10/64/44/608106444.db2.gz RYYAHIHXEUIQNM-HZMBPMFUSA-N -1 1 352.402 2.045 20 0 FEADMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824968996 608106445 /nfs/dbraw/zinc/10/64/45/608106445.db2.gz RYYAHIHXEUIQNM-HZMBPMFUSA-N -1 1 352.402 2.045 20 0 FEADMM CCc1nc([C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000825744800 608180386 /nfs/dbraw/zinc/18/03/86/608180386.db2.gz FNLKZBUCJGNGTP-LURJTMIESA-N -1 1 352.811 2.264 20 0 FEADMM CCc1nc([C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000825744800 608180387 /nfs/dbraw/zinc/18/03/87/608180387.db2.gz FNLKZBUCJGNGTP-LURJTMIESA-N -1 1 352.811 2.264 20 0 FEADMM CC(C)Cn1ncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(C)C ZINC000824284881 608312289 /nfs/dbraw/zinc/31/22/89/608312289.db2.gz QQUMTIAKDVDFHW-UHFFFAOYSA-N -1 1 354.418 2.490 20 0 FEADMM CC(C)Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C(C)C ZINC000824284881 608312291 /nfs/dbraw/zinc/31/22/91/608312291.db2.gz QQUMTIAKDVDFHW-UHFFFAOYSA-N -1 1 354.418 2.490 20 0 FEADMM Cn1ccnc1[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC000826363855 608391982 /nfs/dbraw/zinc/39/19/82/608391982.db2.gz DJLZNAWNDWIQHK-CQSZACIVSA-N -1 1 367.804 2.245 20 0 FEADMM Cn1ccnc1[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC000826363855 608391984 /nfs/dbraw/zinc/39/19/84/608391984.db2.gz DJLZNAWNDWIQHK-CQSZACIVSA-N -1 1 367.804 2.245 20 0 FEADMM CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825052762 608400230 /nfs/dbraw/zinc/40/02/30/608400230.db2.gz YOFNMXLSBZYVTC-LLVKDONJSA-N -1 1 352.402 2.253 20 0 FEADMM CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825052762 608400232 /nfs/dbraw/zinc/40/02/32/608400232.db2.gz YOFNMXLSBZYVTC-LLVKDONJSA-N -1 1 352.402 2.253 20 0 FEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000824649416 608427456 /nfs/dbraw/zinc/42/74/56/608427456.db2.gz LSRNNXHLMNAXLE-FUXBKTLASA-N -1 1 366.212 2.498 20 0 FEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000824649416 608427458 /nfs/dbraw/zinc/42/74/58/608427458.db2.gz LSRNNXHLMNAXLE-FUXBKTLASA-N -1 1 366.212 2.498 20 0 FEADMM Cc1cc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n(-c2ccccc2)n1 ZINC000826266173 608435848 /nfs/dbraw/zinc/43/58/48/608435848.db2.gz FPDTYMFCRREGEV-LBPRGKRZSA-N -1 1 361.413 2.194 20 0 FEADMM Cc1cc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n(-c2ccccc2)n1 ZINC000826266173 608435850 /nfs/dbraw/zinc/43/58/50/608435850.db2.gz FPDTYMFCRREGEV-LBPRGKRZSA-N -1 1 361.413 2.194 20 0 FEADMM COc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccn1 ZINC000826219032 608439086 /nfs/dbraw/zinc/43/90/86/608439086.db2.gz QZMAZWDOHAGZOF-QGZVFWFLSA-N -1 1 360.381 2.262 20 0 FEADMM COc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccn1 ZINC000826219032 608439087 /nfs/dbraw/zinc/43/90/87/608439087.db2.gz QZMAZWDOHAGZOF-QGZVFWFLSA-N -1 1 360.381 2.262 20 0 FEADMM Cc1nc(CNc2c3ccccc3nnc2-c2nnn[n-]2)ccc1[C@H](C)O ZINC000826326594 608667687 /nfs/dbraw/zinc/66/76/87/608667687.db2.gz WTAQPSJEPBNLJC-NSHDSACASA-N -1 1 362.397 2.179 20 0 FEADMM Cc1nc(CNc2c3ccccc3nnc2-c2nn[n-]n2)ccc1[C@H](C)O ZINC000826326594 608667688 /nfs/dbraw/zinc/66/76/88/608667688.db2.gz WTAQPSJEPBNLJC-NSHDSACASA-N -1 1 362.397 2.179 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@H]1CCCCO1 ZINC000826340894 609141506 /nfs/dbraw/zinc/14/15/06/609141506.db2.gz OKJFTPDTTXDKOS-CYBMUJFWSA-N -1 1 370.413 2.248 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@H]1CCCCO1 ZINC000826340894 609141508 /nfs/dbraw/zinc/14/15/08/609141508.db2.gz OKJFTPDTTXDKOS-CYBMUJFWSA-N -1 1 370.413 2.248 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824867679 609257139 /nfs/dbraw/zinc/25/71/39/609257139.db2.gz QKDTUWWRGOPWIW-NEPJUHHUSA-N -1 1 374.493 2.025 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824867679 609257141 /nfs/dbraw/zinc/25/71/41/609257141.db2.gz QKDTUWWRGOPWIW-NEPJUHHUSA-N -1 1 374.493 2.025 20 0 FEADMM CC[C@H](C)Oc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccn1 ZINC000825074095 609260988 /nfs/dbraw/zinc/26/09/88/609260988.db2.gz FRMCMULGWJUJCZ-JTQLQIEISA-N -1 1 354.370 2.397 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826231769 609263948 /nfs/dbraw/zinc/26/39/48/609263948.db2.gz YPQRQBIALQERLR-AOOOYVTPSA-N -1 1 374.470 2.110 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1C[C@H]1C1CC1 ZINC000826458336 609289966 /nfs/dbraw/zinc/28/99/66/609289966.db2.gz MEXMKIZATPYWRP-QWRGUYRKSA-N -1 1 353.361 2.176 20 0 FEADMM Cc1ncsc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826331257 609291214 /nfs/dbraw/zinc/29/12/14/609291214.db2.gz AQBWHTFBMQYBTK-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826282210 609292190 /nfs/dbraw/zinc/29/21/90/609292190.db2.gz CXIROGKAFKQFJY-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2c3ccccc3C[C@H]2C)cc1-c1nn[n-]n1 ZINC000826229529 609296602 /nfs/dbraw/zinc/29/66/02/609296602.db2.gz IDIRDSRCDUFDAD-SECBINFHSA-N -1 1 368.422 2.281 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N([C@H](C)C(C)C)C2CC2)cc1-c1nn[n-]n1 ZINC000826229982 609299010 /nfs/dbraw/zinc/29/90/10/609299010.db2.gz ZGLMLZRPOWATFT-SECBINFHSA-N -1 1 362.459 2.338 20 0 FEADMM CC(C)(C)Oc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000824119461 609352753 /nfs/dbraw/zinc/35/27/53/609352753.db2.gz JMJITFMCPILMRI-UHFFFAOYSA-N -1 1 354.370 2.191 20 0 FEADMM CC(C)(C)Oc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000824119461 609352758 /nfs/dbraw/zinc/35/27/58/609352758.db2.gz JMJITFMCPILMRI-UHFFFAOYSA-N -1 1 354.370 2.191 20 0 FEADMM CC[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825204917 609359067 /nfs/dbraw/zinc/35/90/67/609359067.db2.gz UFHXSLXKKBCYDW-LLVKDONJSA-N -1 1 370.392 2.455 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c1F ZINC000826303738 609371586 /nfs/dbraw/zinc/37/15/86/609371586.db2.gz CBKCGYUIWAVFCI-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM C[C@@H]1CC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC000824915372 609400757 /nfs/dbraw/zinc/40/07/57/609400757.db2.gz DOYAXXAQYXUAMP-BZNIZROVSA-N -1 1 365.434 2.207 20 0 FEADMM C[C@@H]1CC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC000824915372 609400760 /nfs/dbraw/zinc/40/07/60/609400760.db2.gz DOYAXXAQYXUAMP-BZNIZROVSA-N -1 1 365.434 2.207 20 0 FEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)[C@@H]2C ZINC000826212544 609408164 /nfs/dbraw/zinc/40/81/64/609408164.db2.gz UHBXTHWWSQWHPS-VXGBXAGGSA-N -1 1 364.409 2.418 20 0 FEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)[C@@H]2C ZINC000826212544 609408167 /nfs/dbraw/zinc/40/81/67/609408167.db2.gz UHBXTHWWSQWHPS-VXGBXAGGSA-N -1 1 364.409 2.418 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000826229689 609434042 /nfs/dbraw/zinc/43/40/42/609434042.db2.gz NBZZDXKZDPCZQA-QGHHPUGFSA-N -1 1 374.470 2.342 20 0 FEADMM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810717244 674558787 /nfs/dbraw/zinc/55/87/87/674558787.db2.gz UJDOGVRBDKCEAX-KRWDZBQOSA-N -1 1 374.453 2.293 20 0 FEADMM COc1cccc(CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810897591 674567169 /nfs/dbraw/zinc/56/71/69/674567169.db2.gz JQVONDNBLSJADU-CYBMUJFWSA-N -1 1 358.360 2.155 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)CC2CC(F)(F)C2)Cc2ccccc2C1 ZINC000560271906 674574190 /nfs/dbraw/zinc/57/41/90/674574190.db2.gz MBBDTJUCSZPKPF-UHFFFAOYSA-N -1 1 373.421 2.052 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCc2ccc(C)s2)cc1 ZINC000811254660 674591081 /nfs/dbraw/zinc/59/10/81/674591081.db2.gz CYUYSSCTNHKABW-UHFFFAOYSA-N -1 1 361.419 2.498 20 0 FEADMM O=C(N[C@@H](CCO)c1ccccc1Br)c1cncc([O-])c1 ZINC000560625904 674604883 /nfs/dbraw/zinc/60/48/83/674604883.db2.gz JBHAKNGXXNGHIG-AWEZNQCLSA-N -1 1 351.200 2.403 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ncco3)cc2C)o1 ZINC000560691537 674609797 /nfs/dbraw/zinc/60/97/97/674609797.db2.gz OGFNBKBAEAUXDU-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1ccc(OC)cc1 ZINC000560686020 674609543 /nfs/dbraw/zinc/60/95/43/674609543.db2.gz UKNJLIVYHDDSQL-MRXNPFEDSA-N -1 1 367.398 2.168 20 0 FEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000811831942 674632107 /nfs/dbraw/zinc/63/21/07/674632107.db2.gz ISIFFORPCUNDAT-UHFFFAOYSA-N -1 1 367.280 2.155 20 0 FEADMM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000561083700 674635088 /nfs/dbraw/zinc/63/50/88/674635088.db2.gz REONMLCSHQNORB-UHFFFAOYSA-N -1 1 363.370 2.454 20 0 FEADMM O=c1nc(NCc2cc(F)c(F)cc2Br)nc2[nH][n-]cc1-2 ZINC000561447759 674667173 /nfs/dbraw/zinc/66/71/73/674667173.db2.gz KQQMHFXDTNAZMJ-UHFFFAOYSA-N -1 1 356.130 2.085 20 0 FEADMM CO[C@](C)(C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C1CC1 ZINC000813248225 674731451 /nfs/dbraw/zinc/73/14/51/674731451.db2.gz HZVKDNVZMUWFFU-OUCVZQCGSA-N -1 1 350.381 2.106 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cnc([C@@H](C)O)s1 ZINC000813515374 674754532 /nfs/dbraw/zinc/75/45/32/674754532.db2.gz BIMBKKSTMWLPAD-SECBINFHSA-N -1 1 367.452 2.499 20 0 FEADMM CCC(Nc1cc(F)ccc1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814346172 674832642 /nfs/dbraw/zinc/83/26/42/674832642.db2.gz OEAIPTIPCBOWSB-WYMLVPIESA-N -1 1 365.430 2.100 20 0 FEADMM CCC(NCCCOCC(C)C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814400514 674842632 /nfs/dbraw/zinc/84/26/32/674842632.db2.gz PNELPSCCPSNAKC-CCEZHUSRSA-N -1 1 369.531 2.202 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(C)cc2F)s1 ZINC000815019718 674898492 /nfs/dbraw/zinc/89/84/92/674898492.db2.gz SKRDGOWTZOTSKE-UHFFFAOYSA-N -1 1 372.443 2.418 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(C)ccn2)c(F)cc1Cl ZINC000815073588 674911835 /nfs/dbraw/zinc/91/18/35/674911835.db2.gz RGUZUHSEYNHZCQ-UHFFFAOYSA-N -1 1 372.805 2.448 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC000815200532 674930096 /nfs/dbraw/zinc/93/00/96/674930096.db2.gz JOOXQDIEMMQQFB-QWHCGFSZSA-N -1 1 351.451 2.122 20 0 FEADMM CCOC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000563779038 674938224 /nfs/dbraw/zinc/93/82/24/674938224.db2.gz KYBSPSOZTSECHV-UHFFFAOYSA-N -1 1 373.381 2.125 20 0 FEADMM CC1(C)C(=O)Nc2cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc21 ZINC000815410999 674946565 /nfs/dbraw/zinc/94/65/65/674946565.db2.gz ZOVIJOKFJTXLMZ-UHFFFAOYSA-N -1 1 358.316 2.142 20 0 FEADMM CCC(Nc1ccc(C)c(C)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009770494 669984472 /nfs/dbraw/zinc/98/44/72/669984472.db2.gz VIBOKJHGXMIAJD-PFONDFGASA-N -1 1 361.467 2.269 20 0 FEADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000013278977 670005777 /nfs/dbraw/zinc/00/57/77/670005777.db2.gz NJESJBQCLOWTJP-UHFFFAOYSA-N -1 1 366.420 2.006 20 0 FEADMM O=C(CN1CCCc2ccccc21)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000021778293 670035413 /nfs/dbraw/zinc/03/54/13/670035413.db2.gz HQSKZFKLSVHWBL-UHFFFAOYSA-N -1 1 359.813 2.259 20 0 FEADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000024431043 670054779 /nfs/dbraw/zinc/05/47/79/670054779.db2.gz XWUQLDGUODWUSI-UHFFFAOYSA-N -1 1 358.778 2.144 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NCCC(=O)[N-]Oc2ccccc2)c(C)c1 ZINC000816684355 675073006 /nfs/dbraw/zinc/07/30/06/675073006.db2.gz XOSLLIHRWIPWLK-UHFFFAOYSA-N -1 1 362.451 2.390 20 0 FEADMM COCc1cccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000025599651 670063480 /nfs/dbraw/zinc/06/34/80/670063480.db2.gz XAWRYEAOAHAVEF-UHFFFAOYSA-N -1 1 364.423 2.465 20 0 FEADMM NC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000029321885 670098765 /nfs/dbraw/zinc/09/87/65/670098765.db2.gz JWVIWCRSGDKAJK-UHFFFAOYSA-N -1 1 369.786 2.330 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cccc3ccccc32)o1 ZINC000029373002 670099016 /nfs/dbraw/zinc/09/90/16/670099016.db2.gz ZHHLPYYIJHIDFN-UHFFFAOYSA-N -1 1 358.419 2.313 20 0 FEADMM CCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000029566963 670101139 /nfs/dbraw/zinc/10/11/39/670101139.db2.gz FAPSZCOVMVMSGI-UHFFFAOYSA-N -1 1 370.471 2.322 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCSc2ccc(Cl)cc2)o1 ZINC000031593973 670123034 /nfs/dbraw/zinc/12/30/34/670123034.db2.gz CAKJAXFHAUZMDO-UHFFFAOYSA-N -1 1 374.871 2.363 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)cc1 ZINC000032598991 670130328 /nfs/dbraw/zinc/13/03/28/670130328.db2.gz ZKSCSCVHGGZKQV-UHFFFAOYSA-N -1 1 359.407 2.106 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)o1 ZINC000046315166 670220732 /nfs/dbraw/zinc/22/07/32/670220732.db2.gz CTKBVEYMICIXBQ-VIFPVBQESA-N -1 1 371.798 2.269 20 0 FEADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1 ZINC000564971693 675083582 /nfs/dbraw/zinc/08/35/82/675083582.db2.gz CLJQBANWSRNNQH-BLLLJJGKSA-N -1 1 354.472 2.382 20 0 FEADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2O1 ZINC000047251102 670237210 /nfs/dbraw/zinc/23/72/10/670237210.db2.gz BBHOLXYKGWFUEH-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(N)cc2Cl)cc1 ZINC000050034837 670281434 /nfs/dbraw/zinc/28/14/34/670281434.db2.gz SJZULZAVMPUKBE-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM O=C([O-])Cn1cc(CCN2CCC[C@H]2c2nc3ccccc3s2)nn1 ZINC000565105432 675094965 /nfs/dbraw/zinc/09/49/65/675094965.db2.gz RQAFSSRUFYPGRO-AWEZNQCLSA-N -1 1 357.439 2.352 20 0 FEADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000055632073 670353250 /nfs/dbraw/zinc/35/32/50/670353250.db2.gz WQTYJFIHZMAOMC-UHFFFAOYSA-N -1 1 363.351 2.100 20 0 FEADMM Cc1nonc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000817137627 675102682 /nfs/dbraw/zinc/10/26/82/675102682.db2.gz WYLLKNYSDDQNFA-UHFFFAOYSA-N -1 1 353.734 2.111 20 0 FEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1F ZINC000060554542 670386445 /nfs/dbraw/zinc/38/64/45/670386445.db2.gz AQCJAQRWTXAQQP-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000063773665 670410679 /nfs/dbraw/zinc/41/06/79/670410679.db2.gz ZKNDYGVSWNPELX-UHFFFAOYSA-N -1 1 357.863 2.338 20 0 FEADMM CC(C)n1c(CCNC(=O)c2ccc(-n3cncn3)cc2)n[n-]c1=S ZINC000067074443 670452343 /nfs/dbraw/zinc/45/23/43/670452343.db2.gz ZPBAUIAOUXHBKY-UHFFFAOYSA-N -1 1 357.443 2.075 20 0 FEADMM CCn1c(CCNC(=O)[C@H](C)Oc2ccc(F)c(F)c2)n[n-]c1=S ZINC000067076553 670452873 /nfs/dbraw/zinc/45/28/73/670452873.db2.gz ZFFLWKMCVDYWLO-VIFPVBQESA-N -1 1 356.398 2.365 20 0 FEADMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc2c(c1)COC2 ZINC000068076104 670465858 /nfs/dbraw/zinc/46/58/58/670465858.db2.gz YMABWFXKOQWNOB-UHFFFAOYSA-N -1 1 360.435 2.354 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(F)c1Cn1cccc(C)c1=O ZINC000569144474 670516224 /nfs/dbraw/zinc/51/62/24/670516224.db2.gz DTOZKPYUWMTVGH-ZDUSSCGKSA-N -1 1 368.430 2.121 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000079938126 670613244 /nfs/dbraw/zinc/61/32/44/670613244.db2.gz SJJXSASPLDYPIS-GFCCVEGCSA-N -1 1 351.859 2.225 20 0 FEADMM COC(=O)[C@H]1CCc2sc(NC([O-])=NO[C@H]3CCCCO3)nc2C1 ZINC000817321205 675122056 /nfs/dbraw/zinc/12/20/56/675122056.db2.gz SLKUKXXFOBEFCI-CABZTGNLSA-N -1 1 355.416 2.001 20 0 FEADMM COC(=O)[C@H]1CCc2sc(NC(=O)[N-]O[C@H]3CCCCO3)nc2C1 ZINC000817321205 675122057 /nfs/dbraw/zinc/12/20/57/675122057.db2.gz SLKUKXXFOBEFCI-CABZTGNLSA-N -1 1 355.416 2.001 20 0 FEADMM C[C@H]([C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-])C1CC1 ZINC000569977965 670643654 /nfs/dbraw/zinc/64/36/54/670643654.db2.gz RWHDPTGEVIXFEC-UPONEAKYSA-N -1 1 353.774 2.396 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)N[N-]C(=O)c3ccccc3F)ccc2O1 ZINC000084649923 670673649 /nfs/dbraw/zinc/67/36/49/670673649.db2.gz MJXVVNZLFYOJPK-UHFFFAOYSA-N -1 1 364.398 2.163 20 0 FEADMM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000089339955 670699183 /nfs/dbraw/zinc/69/91/83/670699183.db2.gz XODRWUFTVQXBKN-WRWORJQWSA-N -1 1 360.266 2.387 20 0 FEADMM Cc1cc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)n(C)n1 ZINC000817417201 675130981 /nfs/dbraw/zinc/13/09/81/675130981.db2.gz HDTUPAUXAWBDFP-ZDUSSCGKSA-N -1 1 352.360 2.338 20 0 FEADMM COC(=O)c1ccsc1N1CC[C@@H](Sc2ncc(C)c(=O)[n-]2)C1=O ZINC000570463808 670718276 /nfs/dbraw/zinc/71/82/76/670718276.db2.gz HAIHHYHBGSYCEC-SNVBAGLBSA-N -1 1 365.436 2.236 20 0 FEADMM CC[C@H](C)OCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491197 675138473 /nfs/dbraw/zinc/13/84/73/675138473.db2.gz WFJUPMMHMXOWOY-WCQYABFASA-N -1 1 358.360 2.438 20 0 FEADMM Cn1cccc1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493614 675138940 /nfs/dbraw/zinc/13/89/40/675138940.db2.gz VOKWZVHNJXLETF-GFCCVEGCSA-N -1 1 351.328 2.275 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(=O)OC(C)C)cc1 ZINC000104127255 670790391 /nfs/dbraw/zinc/79/03/91/670790391.db2.gz HDTZERFGKXUQOM-UHFFFAOYSA-N -1 1 362.455 2.374 20 0 FEADMM CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Br)cc1[O-] ZINC000109371685 670840680 /nfs/dbraw/zinc/84/06/80/670840680.db2.gz CACJPUSQGNNXGV-UHFFFAOYSA-N -1 1 359.220 2.409 20 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/nfs/dbraw/zinc/17/70/68/671177068.db2.gz ZZEATWOUXUUQJV-JTQLQIEISA-N -1 1 351.384 2.392 20 0 FEADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCCS1(=O)=O ZINC000574053747 671197362 /nfs/dbraw/zinc/19/73/62/671197362.db2.gz RFEBPFWBWBESCC-VIFPVBQESA-N -1 1 368.636 2.324 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)sc1C ZINC000574383899 671233400 /nfs/dbraw/zinc/23/34/00/671233400.db2.gz QOAMVYRHWMPRNJ-UHFFFAOYSA-N -1 1 352.363 2.047 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2N2CCOCC2)c(F)c1 ZINC000566136802 675185332 /nfs/dbraw/zinc/18/53/32/675185332.db2.gz AHAMOEYOMDVCMW-JKSUJKDBSA-N -1 1 374.453 2.195 20 0 FEADMM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000574750725 671274504 /nfs/dbraw/zinc/27/45/04/671274504.db2.gz YAFQAKLMRHOIJJ-NSHDSACASA-N -1 1 361.341 2.124 20 0 FEADMM Cc1cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)oc1C(=O)[O-] ZINC000576522222 671374819 /nfs/dbraw/zinc/37/48/19/671374819.db2.gz AUSSELYIMWNUBK-NSHDSACASA-N -1 1 352.412 2.127 20 0 FEADMM 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COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c(F)c1 ZINC000684924166 672978365 /nfs/dbraw/zinc/97/83/65/672978365.db2.gz LYYHBVZRUANUPX-LBPRGKRZSA-N -1 1 363.426 2.441 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1C1CC1 ZINC000593891730 673005227 /nfs/dbraw/zinc/00/52/27/673005227.db2.gz LETHHVPSONXHQR-QWHCGFSZSA-N -1 1 368.227 2.426 20 0 FEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC000324766167 673046991 /nfs/dbraw/zinc/04/69/91/673046991.db2.gz BDIKGAMCLKLENM-UHFFFAOYSA-N -1 1 354.472 2.106 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](CC(C)C)CN(C)C)c1C ZINC000324937842 673048289 /nfs/dbraw/zinc/04/82/89/673048289.db2.gz ZMMAHAJCIJYKKC-HNNXBMFYSA-N -1 1 356.488 2.256 20 0 FEADMM COCC1(CNC(=O)c2ccc(I)c([O-])c2)CC1 ZINC000594397661 673067438 /nfs/dbraw/zinc/06/74/38/673067438.db2.gz KPJMKHYUTNQSDT-UHFFFAOYSA-N -1 1 361.179 2.153 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(C)(C)O ZINC000594462717 673076787 /nfs/dbraw/zinc/07/67/87/673076787.db2.gz GJZLMUIDYWFXSR-NSHDSACASA-N -1 1 367.826 2.094 20 0 FEADMM C/C(=C\C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000725893140 673095649 /nfs/dbraw/zinc/09/56/49/673095649.db2.gz DXLMSKPXQCCFIG-XCVCLJGOSA-N -1 1 364.471 2.309 20 0 FEADMM CC(=CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000725893140 673095653 /nfs/dbraw/zinc/09/56/53/673095653.db2.gz DXLMSKPXQCCFIG-XCVCLJGOSA-N -1 1 364.471 2.309 20 0 FEADMM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000594695492 673117158 /nfs/dbraw/zinc/11/71/58/673117158.db2.gz RLYUWKOVJIILRE-AWEZNQCLSA-N -1 1 358.460 2.447 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@H](COC(C)C)C(=O)OC)cc(Cl)c1[O-] ZINC000613022965 676107073 /nfs/dbraw/zinc/10/70/73/676107073.db2.gz GINNNRBGTACXAM-CYBMUJFWSA-N -1 1 373.833 2.483 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@]1(C)CC1(F)F ZINC000594858973 673167398 /nfs/dbraw/zinc/16/73/98/673167398.db2.gz WMPWJPWWYTYXHF-CYBMUJFWSA-N -1 1 351.346 2.326 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCCOc2ccccc2C)cc1C ZINC000595317680 673222899 /nfs/dbraw/zinc/22/28/99/673222899.db2.gz KMPMRRUHGOEHCA-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)c1ccco1 ZINC000595322523 673224087 /nfs/dbraw/zinc/22/40/87/673224087.db2.gz SHXKNRGAAAAGHK-NSHDSACASA-N -1 1 357.384 2.024 20 0 FEADMM CSC[C@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000731390376 673329231 /nfs/dbraw/zinc/32/92/31/673329231.db2.gz WPSXLOJMXPTQQG-VIFPVBQESA-N -1 1 361.366 2.087 20 0 FEADMM O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507887733 673341331 /nfs/dbraw/zinc/34/13/31/673341331.db2.gz KWUPCHOGBXIAGD-SNVBAGLBSA-N -1 1 359.411 2.150 20 0 FEADMM Cc1cc(Br)cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1C ZINC000613473951 676130387 /nfs/dbraw/zinc/13/03/87/676130387.db2.gz DKWSIQCUAGPMLA-VIFPVBQESA-N -1 1 352.236 2.455 20 0 FEADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000613556908 676133853 /nfs/dbraw/zinc/13/38/53/676133853.db2.gz YCIZQPIFRVIYRV-WQAKAFBOSA-N -1 1 367.812 2.401 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(O)c2F)c1 ZINC000536611261 673371987 /nfs/dbraw/zinc/37/19/87/673371987.db2.gz CIVQBRKGOBYFGC-UHFFFAOYSA-N -1 1 355.343 2.127 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(F)ccc1[O-] ZINC000537644377 673398886 /nfs/dbraw/zinc/39/88/86/673398886.db2.gz ORABMHWPWHMPAS-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000537653932 673399527 /nfs/dbraw/zinc/39/95/27/673399527.db2.gz IJOUKNSVXLZKPK-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM O=S(=O)([N-]Cc1nnc(-c2ccccc2)[nH]1)c1cc(F)c(F)cc1F ZINC000733314719 673408764 /nfs/dbraw/zinc/40/87/64/673408764.db2.gz VXCXWOWTHCYMSO-UHFFFAOYSA-N -1 1 368.340 2.368 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c1Cl ZINC000733318308 673409090 /nfs/dbraw/zinc/40/90/90/673409090.db2.gz GBBXUQHZNUMGGH-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537850469 673411225 /nfs/dbraw/zinc/41/12/25/673411225.db2.gz OMQCFPZZHOLWNG-LBPRGKRZSA-N -1 1 364.423 2.083 20 0 FEADMM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537850263 673411237 /nfs/dbraw/zinc/41/12/37/673411237.db2.gz GCVRKMAFWOAVGT-NSHDSACASA-N -1 1 364.423 2.181 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1 ZINC000538016741 673418418 /nfs/dbraw/zinc/41/84/18/673418418.db2.gz ISZGXILHIZUBGY-UHFFFAOYSA-N -1 1 364.423 2.205 20 0 FEADMM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1c(F)ccc([O-])c1F ZINC000538386535 673437475 /nfs/dbraw/zinc/43/74/75/673437475.db2.gz HWHGKYZQSOMDTL-QMMMGPOBSA-N -1 1 359.275 2.118 20 0 FEADMM C[C@@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCc2ccccc2C1 ZINC000538606264 673447567 /nfs/dbraw/zinc/44/75/67/673447567.db2.gz IMPPHAJLJXBXOM-GOSISDBHSA-N -1 1 360.435 2.173 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc([C@H]2CNC(=O)C2)c1 ZINC000538706483 673453182 /nfs/dbraw/zinc/45/31/82/673453182.db2.gz YCGWWYYFCAGYNY-OAHLLOKOSA-N -1 1 360.435 2.237 20 0 FEADMM Cc1ccc(OCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)c1 ZINC000538951720 673468186 /nfs/dbraw/zinc/46/81/86/673468186.db2.gz IHDIADJIYXQRSY-UHFFFAOYSA-N -1 1 364.423 2.064 20 0 FEADMM CCOC(=O)Cc1nnc(NC(=O)c2cc(SC)ccc2[O-])s1 ZINC000597430129 673476924 /nfs/dbraw/zinc/47/69/24/673476924.db2.gz IVJWMZIXSLNNPK-UHFFFAOYSA-N -1 1 353.425 2.324 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C2CCCCC2)o1 ZINC000539981361 673517261 /nfs/dbraw/zinc/51/72/61/673517261.db2.gz HUAPTUJUKXBZLO-ZDUSSCGKSA-N -1 1 372.487 2.027 20 0 FEADMM COc1cc(OC)cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000540251145 673531087 /nfs/dbraw/zinc/53/10/87/673531087.db2.gz ZVYJMKODDWCNAU-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM CN(C)c1nccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000540482564 673541841 /nfs/dbraw/zinc/54/18/41/673541841.db2.gz OCXGDFQAQMOEFN-UHFFFAOYSA-N -1 1 367.283 2.389 20 0 FEADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(I)ccc1[O-] ZINC000598306671 673558419 /nfs/dbraw/zinc/55/84/19/673558419.db2.gz KJKCPZYIEYIHDP-RYUDHWBXSA-N -1 1 373.190 2.030 20 0 FEADMM C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000614009995 676156681 /nfs/dbraw/zinc/15/66/81/676156681.db2.gz OUPRHSPKICFFKT-SECBINFHSA-N -1 1 351.346 2.060 20 0 FEADMM CCCCOCCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599208224 673641224 /nfs/dbraw/zinc/64/12/24/673641224.db2.gz QKXXJRCEVLVFQD-UHFFFAOYSA-N -1 1 365.398 2.237 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccc(C(=O)OC)o1 ZINC000543390018 673643998 /nfs/dbraw/zinc/64/39/98/673643998.db2.gz HIBDUQOHDQOOHZ-UHFFFAOYSA-N -1 1 364.379 2.369 20 0 FEADMM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000543631793 673657544 /nfs/dbraw/zinc/65/75/44/673657544.db2.gz QPIHSFCWXPXHHX-JTQLQIEISA-N -1 1 366.386 2.402 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc2nc[nH]c(=O)c2c1 ZINC000543654297 673658926 /nfs/dbraw/zinc/65/89/26/673658926.db2.gz 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ZINC000614475134 676177131 /nfs/dbraw/zinc/17/71/31/676177131.db2.gz JCWFVNSKJUCTLP-UHFFFAOYSA-N -1 1 367.203 2.261 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)Nc3cccc(CC(=O)[O-])c3)cc12 ZINC000545119302 673745637 /nfs/dbraw/zinc/74/56/37/673745637.db2.gz BMWAVQOFMSHQJJ-UHFFFAOYSA-N -1 1 361.379 2.213 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c[nH]1 ZINC000743048117 673747779 /nfs/dbraw/zinc/74/77/79/673747779.db2.gz WTXYIQVMIGSNHW-UHFFFAOYSA-N -1 1 357.819 2.322 20 0 FEADMM CCc1nsc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)n1 ZINC000743786799 673772469 /nfs/dbraw/zinc/77/24/69/673772469.db2.gz PFAHYUBGANDQFO-UHFFFAOYSA-N -1 1 352.847 2.422 20 0 FEADMM O=C(CNC(=O)c1ccc(I)c([O-])c1)C1CCCC1 ZINC000600486443 673773735 /nfs/dbraw/zinc/77/37/35/673773735.db2.gz HRQUCIVUFPLGKX-UHFFFAOYSA-N -1 1 373.190 2.486 20 0 FEADMM O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NCc1nn[n-]n1 ZINC000600496191 673774274 /nfs/dbraw/zinc/77/42/74/673774274.db2.gz ABDJATYCBIKSAU-UHFFFAOYSA-N -1 1 368.344 2.201 20 0 FEADMM CC(C)[C@@H](C(=O)OC(C)(C)C)C([O-])=Nc1nc(C2CCOCC2)ns1 ZINC000600513239 673775352 /nfs/dbraw/zinc/77/53/52/673775352.db2.gz MBYYAFKJDUPNSU-GFCCVEGCSA-N -1 1 369.487 2.406 20 0 FEADMM O=c1cc(CN2CCN(Cc3cscn3)CC2)c2ccc([O-])cc2o1 ZINC000744200625 673786662 /nfs/dbraw/zinc/78/66/62/673786662.db2.gz NZBVPJHJXDSAOD-UHFFFAOYSA-N -1 1 357.435 2.273 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cnc(C)n2C)c(F)cc1C ZINC000600666970 673789560 /nfs/dbraw/zinc/78/95/60/673789560.db2.gz NVNURVQJNITRBK-UHFFFAOYSA-N -1 1 355.391 2.154 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc([C@H]3CCOc4ccccc43)no2)o1 ZINC000546396318 673799712 /nfs/dbraw/zinc/79/97/12/673799712.db2.gz PHMNDJPTPWBUMN-NSHDSACASA-N -1 1 361.379 2.152 20 0 FEADMM Cc1cccc(CSCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC000600872024 673804696 /nfs/dbraw/zinc/80/46/96/673804696.db2.gz CSBQSOKWZCNPPL-UHFFFAOYSA-N -1 1 350.484 2.236 20 0 FEADMM CSCc1ccccc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000546783166 673818998 /nfs/dbraw/zinc/81/89/98/673818998.db2.gz ZXDROKNRIAOMJU-UHFFFAOYSA-N -1 1 361.452 2.326 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)co1 ZINC000547168290 673834834 /nfs/dbraw/zinc/83/48/34/673834834.db2.gz QNDBKNRQCFGPNC-UHFFFAOYSA-N -1 1 374.300 2.319 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 ZINC000746053745 673862247 /nfs/dbraw/zinc/86/22/47/673862247.db2.gz HLMURUNFUVXSML-UHFFFAOYSA-N -1 1 365.289 2.005 20 0 FEADMM CN1C(=O)C[C@H](NC(=O)c2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000547653895 673878515 /nfs/dbraw/zinc/87/85/15/673878515.db2.gz UMUHFYMLFVZDKB-LRDDRELGSA-N -1 1 363.776 2.282 20 0 FEADMM O=S(=O)([N-][C@H]1CCCCC12OCCO2)c1cc(F)c(F)cc1F ZINC000746473232 673880515 /nfs/dbraw/zinc/88/05/15/673880515.db2.gz YFIFEKGUDDPQMB-ZDUSSCGKSA-N -1 1 351.346 2.068 20 0 FEADMM COc1cc(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000548034113 673916754 /nfs/dbraw/zinc/91/67/54/673916754.db2.gz VARJFYMGTNSYEG-QWHCGFSZSA-N -1 1 368.455 2.257 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])CCN1CC(C)(C)O ZINC000548711416 673988925 /nfs/dbraw/zinc/98/89/25/673988925.db2.gz NGLFGGHFYROEDH-LLVKDONJSA-N -1 1 371.275 2.072 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1nn(C)cc1Br ZINC000566229794 675196562 /nfs/dbraw/zinc/19/65/62/675196562.db2.gz YMJRJMMOQMQKET-UHFFFAOYSA-N -1 1 360.233 2.130 20 0 FEADMM O=C(Nc1nnc(C2CCOCC2)s1)c1ccc2n[n-]c(=S)n2c1 ZINC000818958290 675246544 /nfs/dbraw/zinc/24/65/44/675246544.db2.gz WPOLKJKOIKWBOW-UHFFFAOYSA-N -1 1 362.440 2.016 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccn1 ZINC000615481511 676216669 /nfs/dbraw/zinc/21/66/69/676216669.db2.gz WZPRCISWCFGJMR-CYBMUJFWSA-N -1 1 350.758 2.093 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@H](C)S(C)(=O)=O)c1 ZINC000819488997 675293905 /nfs/dbraw/zinc/29/39/05/675293905.db2.gz NTWKKJLXGSFRPW-JTQLQIEISA-N -1 1 352.378 2.019 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCCc2cccc(F)c2)c(C(F)(F)F)n1 ZINC000567866859 675331094 /nfs/dbraw/zinc/33/10/94/675331094.db2.gz WCJRLDIPOQQANE-UHFFFAOYSA-N -1 1 365.352 2.489 20 0 FEADMM O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000568256918 675361964 /nfs/dbraw/zinc/36/19/64/675361964.db2.gz PMGSORMZOHMBSB-ZETCQYMHSA-N -1 1 355.167 2.042 20 0 FEADMM Cc1cnc(SCC(=O)NC[C@H]2CCN(c3ccccc3)C2)[n-]c1=O ZINC000568270723 675363043 /nfs/dbraw/zinc/36/30/43/675363043.db2.gz OZGKPRBHHALOCX-CQSZACIVSA-N -1 1 358.467 2.225 20 0 FEADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ccn(CCc3ccncc3)n2)C1 ZINC000568332292 675366447 /nfs/dbraw/zinc/36/64/47/675366447.db2.gz PDLJHWYRWYKLQM-GJZGRUSLSA-N -1 1 363.487 2.155 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)C(=O)c1ccccc1 ZINC000820723738 675382262 /nfs/dbraw/zinc/38/22/62/675382262.db2.gz DTJXCYUEYDNOAE-UHFFFAOYSA-N -1 1 355.847 2.322 20 0 FEADMM C[C@H]1Sc2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2NC1=O ZINC000820819802 675391389 /nfs/dbraw/zinc/39/13/89/675391389.db2.gz LCOBCESCQOZFNM-ZCFIWIBFSA-N -1 1 373.423 2.008 20 0 FEADMM C[C@H]1Sc2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2NC1=O ZINC000820819802 675391390 /nfs/dbraw/zinc/39/13/90/675391390.db2.gz LCOBCESCQOZFNM-ZCFIWIBFSA-N -1 1 373.423 2.008 20 0 FEADMM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1F ZINC000568698414 675392861 /nfs/dbraw/zinc/39/28/61/675392861.db2.gz KJMOLYULAMIUQJ-WMLDXEAASA-N -1 1 353.390 2.409 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2noc(C(C)(C)C)n2)c1 ZINC000820878979 675396433 /nfs/dbraw/zinc/39/64/33/675396433.db2.gz ULJQMHYSARETNZ-DEOSSOPVSA-N -1 1 352.412 2.227 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000821980161 675462302 /nfs/dbraw/zinc/46/23/02/675462302.db2.gz JJMOFHDUUAUQIB-SSDOTTSWSA-N -1 1 352.259 2.410 20 0 FEADMM O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000823191438 675535232 /nfs/dbraw/zinc/53/52/32/675535232.db2.gz OEKVPNQGGZCALX-ZKYQVNSYSA-N -1 1 365.796 2.086 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NC2([C@H](C)O)CC2)c1 ZINC000823693358 675567636 /nfs/dbraw/zinc/56/76/36/675567636.db2.gz GQLBHGWNKNWXKM-JTQLQIEISA-N -1 1 359.348 2.208 20 0 FEADMM CSc1nc(CNC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc(=O)[n-]1 ZINC000824602862 675613120 /nfs/dbraw/zinc/61/31/20/675613120.db2.gz LYKOADZCOAXLME-BDAKNGLRSA-N -1 1 351.350 2.020 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](C)Sc2ccc(F)cc2)n[n-]1 ZINC000824887058 675626777 /nfs/dbraw/zinc/62/67/77/675626777.db2.gz HCXWCPHQLFMUEL-UWVGGRQHSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](C)Sc2ccc(F)cc2)[n-]1 ZINC000824887058 675626779 /nfs/dbraw/zinc/62/67/79/675626779.db2.gz HCXWCPHQLFMUEL-UWVGGRQHSA-N -1 1 366.418 2.479 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](C)Sc2ccc(F)cc2)n1 ZINC000824887058 675626780 /nfs/dbraw/zinc/62/67/80/675626780.db2.gz HCXWCPHQLFMUEL-UWVGGRQHSA-N -1 1 366.418 2.479 20 0 FEADMM Cc1ccc(CN(CCO)c2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826288018 675685566 /nfs/dbraw/zinc/68/55/66/675685566.db2.gz NFQCFERFXKMHCY-UHFFFAOYSA-N -1 1 350.835 2.284 20 0 FEADMM Cc1ccc(CN(CCO)c2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826288018 675685568 /nfs/dbraw/zinc/68/55/68/675685568.db2.gz NFQCFERFXKMHCY-UHFFFAOYSA-N -1 1 350.835 2.284 20 0 FEADMM Cc1onc(CC(=O)NC2(c3cccc(Cl)c3)CC2)c1-c1nnn[n-]1 ZINC000826346933 675686578 /nfs/dbraw/zinc/68/65/78/675686578.db2.gz ZCHWACKQYSWQCQ-UHFFFAOYSA-N -1 1 358.789 2.165 20 0 FEADMM Cc1onc(CC(=O)NC2(c3cccc(Cl)c3)CC2)c1-c1nn[n-]n1 ZINC000826346933 675686579 /nfs/dbraw/zinc/68/65/79/675686579.db2.gz ZCHWACKQYSWQCQ-UHFFFAOYSA-N -1 1 358.789 2.165 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)Cc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826345467 675686784 /nfs/dbraw/zinc/68/67/84/675686784.db2.gz LRDIGAJTWBWACI-VIFPVBQESA-N -1 1 360.805 2.106 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)Cc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826345467 675686787 /nfs/dbraw/zinc/68/67/87/675686787.db2.gz LRDIGAJTWBWACI-VIFPVBQESA-N -1 1 360.805 2.106 20 0 FEADMM CSCC[C@H](NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1nn[n-]n1 ZINC000826929355 675716405 /nfs/dbraw/zinc/71/64/05/675716405.db2.gz XRQODFUUOARFCU-GUBZILKMSA-N -1 1 367.397 2.000 20 0 FEADMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000828165351 675803764 /nfs/dbraw/zinc/80/37/64/675803764.db2.gz SWBXFEVDSPAXDC-UHFFFAOYSA-N -1 1 362.860 2.243 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000605435009 675814725 /nfs/dbraw/zinc/81/47/25/675814725.db2.gz FBJIZIAVHPFRPQ-UHFFFAOYSA-N -1 1 352.387 2.470 20 0 FEADMM C[C@@](O)(C1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1)C(F)(F)F ZINC000828648792 675835378 /nfs/dbraw/zinc/83/53/78/675835378.db2.gz SYTOLXYWKPEABJ-CQSZACIVSA-N -1 1 374.388 2.184 20 0 FEADMM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000828701330 675837673 /nfs/dbraw/zinc/83/76/73/675837673.db2.gz GBUAHLFNPGSHJE-CABCVRRESA-N -1 1 354.372 2.392 20 0 FEADMM CSc1ccc(CCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000828701427 675837778 /nfs/dbraw/zinc/83/77/78/675837778.db2.gz JLCJLGYYQMPDPS-UHFFFAOYSA-N -1 1 360.401 2.478 20 0 FEADMM O=S(=O)([N-]CCCn1cncn1)c1c(Cl)cccc1C(F)(F)F ZINC000606904236 675845828 /nfs/dbraw/zinc/84/58/28/675845828.db2.gz VNMVIKUQGWKFNX-UHFFFAOYSA-N -1 1 368.768 2.319 20 0 FEADMM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)OCc1ccccc1 ZINC000829684147 675887384 /nfs/dbraw/zinc/88/73/84/675887384.db2.gz HPKDYDGENJBWNJ-AWEZNQCLSA-N -1 1 361.410 2.475 20 0 FEADMM Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c1 ZINC000608349000 675889294 /nfs/dbraw/zinc/88/92/94/675889294.db2.gz MQFCHGKPMKJAKW-UHFFFAOYSA-N -1 1 361.423 2.132 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](CC)Oc2ccccc2Cl)n[n-]1 ZINC000615919362 676233662 /nfs/dbraw/zinc/23/36/62/676233662.db2.gz GLBBEQPZQWUURF-LLVKDONJSA-N -1 1 366.805 2.109 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](CC)Oc2ccccc2Cl)n1 ZINC000615919362 676233664 /nfs/dbraw/zinc/23/36/64/676233664.db2.gz GLBBEQPZQWUURF-LLVKDONJSA-N -1 1 366.805 2.109 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cc(F)c(Cl)cc2Cl)n[n-]1 ZINC000615919946 676233963 /nfs/dbraw/zinc/23/39/63/676233963.db2.gz KIVZSIWPWLENKT-UHFFFAOYSA-N -1 1 361.160 2.357 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(F)c(Cl)cc2Cl)n1 ZINC000615919946 676233965 /nfs/dbraw/zinc/23/39/65/676233965.db2.gz KIVZSIWPWLENKT-UHFFFAOYSA-N -1 1 361.160 2.357 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(NC(C)=O)c2C)o1 ZINC000617246191 676276702 /nfs/dbraw/zinc/27/67/02/676276702.db2.gz HBVHKZOWCDZHFU-UHFFFAOYSA-N -1 1 365.411 2.015 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](C)[C@H]2CCO)c(=O)[n-]1 ZINC000618001638 676315574 /nfs/dbraw/zinc/31/55/74/676315574.db2.gz ZJDPLIDXWCZFLH-BXUZGUMPSA-N -1 1 353.488 2.155 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1ccccc1F ZINC000618178228 676323169 /nfs/dbraw/zinc/32/31/69/676323169.db2.gz NLARUJJCLSPUTN-AWEZNQCLSA-N -1 1 357.428 2.263 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)c2ccc(C)nc2)CCc2ccccc21 ZINC000618593748 676345514 /nfs/dbraw/zinc/34/55/14/676345514.db2.gz FPFACLHZLCBIPL-SFHVURJKSA-N -1 1 360.435 2.073 20 0 FEADMM CCOC(=O)c1nc(NC(=O)C(=O)c2ccc(OC)c(Cl)c2)c[n-]1 ZINC000619447451 676376636 /nfs/dbraw/zinc/37/66/36/676376636.db2.gz ZVWGLLHJHBYHNR-UHFFFAOYSA-N -1 1 351.746 2.070 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000619990167 676402391 /nfs/dbraw/zinc/40/23/91/676402391.db2.gz VFDPVUXEFLLLAY-GFCCVEGCSA-N -1 1 369.849 2.272 20 0 FEADMM C[C@@H](O)C1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000620073381 676405616 /nfs/dbraw/zinc/40/56/16/676405616.db2.gz MZMNRFUUAMCOPC-CYBMUJFWSA-N -1 1 360.435 2.131 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc(Cl)c1[O-] ZINC000620411079 676416284 /nfs/dbraw/zinc/41/62/84/676416284.db2.gz GQJVTIOGAGLKIG-NSHDSACASA-N -1 1 354.834 2.431 20 0 FEADMM CC(C)c1ncc(Cl)c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)n1 ZINC000622609597 676502934 /nfs/dbraw/zinc/50/29/34/676502934.db2.gz CPJGOUYTAKJZFP-LBPRGKRZSA-N -1 1 357.805 2.286 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3sccc3C)nc2n1 ZINC000622997115 676514803 /nfs/dbraw/zinc/51/48/03/676514803.db2.gz MARJMPMYOPFWSU-NWDGAFQWSA-N -1 1 357.439 2.482 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)nc2n1 ZINC000622998099 676515088 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CCO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)NC)ccc1Cl)C1CC1 ZINC000629286755 676840287 /nfs/dbraw/zinc/84/02/87/676840287.db2.gz CGQQMFLUERTZDW-CQSZACIVSA-N -1 1 360.863 2.256 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)CCOCC1 ZINC000629295131 676842195 /nfs/dbraw/zinc/84/21/95/676842195.db2.gz LJWMZPXDZFJPGB-CYBMUJFWSA-N -1 1 357.476 2.182 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2)C1CC1 ZINC000629296325 676842398 /nfs/dbraw/zinc/84/23/98/676842398.db2.gz XLXCVNLXGQLQMY-HNNXBMFYSA-N -1 1 356.419 2.267 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(N)=O)c(OC(C)C)c1)C1CC1 ZINC000629297438 676842521 /nfs/dbraw/zinc/84/25/21/676842521.db2.gz GOTYBRIEHDFMCI-MRXNPFEDSA-N -1 1 370.471 2.130 20 0 FEADMM COCCOCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000629327882 676846630 /nfs/dbraw/zinc/84/66/30/676846630.db2.gz BQMLABMPPSIOLD-UHFFFAOYSA-N -1 1 369.395 2.250 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3[nH]nc(C)c3C)c(Cl)cc21 ZINC000629349768 676850047 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COc1ccc(Cl)cc1CNC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000647374842 677300825 /nfs/dbraw/zinc/30/08/25/677300825.db2.gz MUUPSFZZGSJMDZ-UHFFFAOYSA-N -1 1 354.834 2.152 20 0 FEADMM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1c[nH]nc1C(F)(F)F ZINC000647892170 677307726 /nfs/dbraw/zinc/30/77/26/677307726.db2.gz ZEOUAYGOJKRKEA-UHFFFAOYSA-N -1 1 369.752 2.439 20 0 FEADMM CCOCCN1CCN(c2cc(C(C)(C)C)nc(C(=O)[O-])n2)C[C@H]1C ZINC000649399326 677330574 /nfs/dbraw/zinc/33/05/74/677330574.db2.gz MCJVOAJKIKCBNY-CYBMUJFWSA-N -1 1 350.463 2.019 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1CCn2ccnc2C1 ZINC000649417553 677330792 /nfs/dbraw/zinc/33/07/92/677330792.db2.gz JEMGFKBTCSEFRQ-SNVBAGLBSA-N -1 1 358.789 2.228 20 0 FEADMM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000649688356 677335281 /nfs/dbraw/zinc/33/52/81/677335281.db2.gz SQBDIWCCNXKVPR-UHFFFAOYSA-N -1 1 369.464 2.431 20 0 FEADMM Cc1c([N-]S(=O)(=O)CCOCC2CC2)cnn1-c1ccc(F)cc1 ZINC000650214917 677360581 /nfs/dbraw/zinc/36/05/81/677360581.db2.gz MZLADMZBANTZGO-UHFFFAOYSA-N -1 1 353.419 2.488 20 0 FEADMM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651732950 677447968 /nfs/dbraw/zinc/44/79/68/677447968.db2.gz PEBJYENRVFEJLB-RKDXNWHRSA-N -1 1 360.284 2.278 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000652739372 677498048 /nfs/dbraw/zinc/49/80/48/677498048.db2.gz LDXKMHAIQRWXGN-TVQRCGJNSA-N -1 1 351.403 2.204 20 0 FEADMM C[C@@H](Cc1ccccn1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000654138326 677563974 /nfs/dbraw/zinc/56/39/74/677563974.db2.gz MEHYVODBBPIKRV-LBPRGKRZSA-N -1 1 365.455 2.112 20 0 FEADMM O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1cc(Br)ccc1[O-] ZINC000655238298 677632546 /nfs/dbraw/zinc/63/25/46/677632546.db2.gz ZYJJUILWXRBNHE-NSHDSACASA-N -1 1 367.203 2.054 20 0 FEADMM CCOc1cc(C(=O)NCc2nnn(C(C)(C)C)n2)cc(Cl)c1[O-] ZINC000655252222 677633226 /nfs/dbraw/zinc/63/32/26/677633226.db2.gz QRCOYUSPGVWAOV-UHFFFAOYSA-N -1 1 353.810 2.116 20 0 FEADMM CCN(CC)S(=O)(=O)[N-]c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000655587867 677651608 /nfs/dbraw/zinc/65/16/08/677651608.db2.gz OCKVQECNSATZKU-UHFFFAOYSA-N -1 1 352.435 2.499 20 0 FEADMM C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC000655859747 677668190 /nfs/dbraw/zinc/66/81/90/677668190.db2.gz PDDKIFQSESDLTG-IUODEOHRSA-N -1 1 353.850 2.497 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1-n1cncn1)C1CCCC1 ZINC000656617039 677784285 /nfs/dbraw/zinc/78/42/85/677784285.db2.gz YUHHZDCGYINSET-INIZCTEOSA-N -1 1 350.444 2.214 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1)C1CCCC1 ZINC000656622458 677788445 /nfs/dbraw/zinc/78/84/45/677788445.db2.gz FADJSJRORLZBLN-OAHLLOKOSA-N -1 1 350.444 2.419 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)C1CCCC1 ZINC000656736240 677823780 /nfs/dbraw/zinc/82/37/80/677823780.db2.gz ZXCOBMAFJCBJMF-LLVKDONJSA-N -1 1 366.281 2.130 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ncccc1Br ZINC000656935192 677875282 /nfs/dbraw/zinc/87/52/82/677875282.db2.gz OVMCGXBNPDHLIW-JLLWLGSASA-N -1 1 361.261 2.080 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ncccc1Br ZINC000656960582 677887481 /nfs/dbraw/zinc/88/74/81/677887481.db2.gz KZIVPQVLXFUSHE-ZYHUDNBSSA-N -1 1 361.261 2.080 20 0 FEADMM COCC1(CC[N-]S(=O)(=O)c2ncccc2Br)CCC1 ZINC000656996316 677905818 /nfs/dbraw/zinc/90/58/18/677905818.db2.gz OYKMYEIUTFEKFE-UHFFFAOYSA-N -1 1 363.277 2.329 20 0 FEADMM Cc1cncc(CC[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000657194255 677979308 /nfs/dbraw/zinc/97/93/08/677979308.db2.gz CSPIXRDEHLUJOO-UHFFFAOYSA-N -1 1 362.274 2.130 20 0 FEADMM CNS(=O)(=O)c1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000657258368 677989192 /nfs/dbraw/zinc/98/91/92/677989192.db2.gz HDHRCVBBSTVJPX-UHFFFAOYSA-N -1 1 351.453 2.260 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CN1c1ccccc1 ZINC000762544066 680753236 /nfs/dbraw/zinc/75/32/36/680753236.db2.gz IGKLRUMFETWCLR-NSHDSACASA-N -1 1 372.233 2.082 20 0 FEADMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc(N)cc2F)[C@@H]1O ZINC000659977258 678246027 /nfs/dbraw/zinc/24/60/27/678246027.db2.gz LWRTXZQUTUACGR-OCCSQVGLSA-N -1 1 372.443 2.021 20 0 FEADMM NC(=O)CC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCCCC1 ZINC000660116410 678286739 /nfs/dbraw/zinc/28/67/39/678286739.db2.gz XYQDWLUDNHQJLS-UHFFFAOYSA-N -1 1 364.389 2.208 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)s1 ZINC000660199217 678309873 /nfs/dbraw/zinc/30/98/73/678309873.db2.gz FOBDCSQYNHIPTG-UHFFFAOYSA-N -1 1 359.395 2.358 20 0 FEADMM CCc1cccc2c(CC(=O)N3CCSC[C@H]3c3nn[n-]n3)c[nH]c21 ZINC000763008545 680768679 /nfs/dbraw/zinc/76/86/79/680768679.db2.gz SDTBJIZKZFLRKY-AWEZNQCLSA-N -1 1 356.455 2.103 20 0 FEADMM CCCCN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000667007526 679058586 /nfs/dbraw/zinc/05/85/86/679058586.db2.gz XCDYOTGIQPYDBK-CQSZACIVSA-N -1 1 362.451 2.370 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000667703322 679123182 /nfs/dbraw/zinc/12/31/82/679123182.db2.gz MTGWYHTWBCDDAX-FZMZJTMJSA-N -1 1 359.451 2.370 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c(F)c1 ZINC000668335310 679166674 /nfs/dbraw/zinc/16/66/74/679166674.db2.gz BGBJLYZFHVSXKJ-UHFFFAOYSA-N -1 1 361.395 2.181 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2CCO)o1 ZINC000671898481 679350573 /nfs/dbraw/zinc/35/05/73/679350573.db2.gz ACLUTITVUMRKAL-CYBMUJFWSA-N -1 1 372.487 2.124 20 0 FEADMM COC[C@@H](C)NC(=S)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000840810991 680844259 /nfs/dbraw/zinc/84/42/59/680844259.db2.gz VDVXEYHRRWTFOU-SNVBAGLBSA-N -1 1 363.405 2.495 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000765499700 680844311 /nfs/dbraw/zinc/84/43/11/680844311.db2.gz LKOJTDKNHAQDNK-CQSZACIVSA-N -1 1 351.447 2.079 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N2C(=O)CN(C3CC3)C2=O)c1 ZINC000840904477 680851685 /nfs/dbraw/zinc/85/16/85/680851685.db2.gz VELCRIJJSBQKAZ-UHFFFAOYSA-N -1 1 355.316 2.105 20 0 FEADMM Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000676077307 679607583 /nfs/dbraw/zinc/60/75/83/679607583.db2.gz MVOSCLHLLDPPLT-QMMMGPOBSA-N -1 1 352.437 2.280 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)c1 ZINC000676559433 679636741 /nfs/dbraw/zinc/63/67/41/679636741.db2.gz LDCLEHHXNPYUEL-UHFFFAOYSA-N -1 1 369.464 2.083 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000676843828 679644030 /nfs/dbraw/zinc/64/40/30/679644030.db2.gz OBPVDWYDSPSSGE-QGZVFWFLSA-N -1 1 367.467 2.186 20 0 FEADMM Cc1nc([C@H]2CCN(C(=O)c3ccccc3S[C@@H](C)C(=O)[O-])C2)n[nH]1 ZINC000911774315 685259270 /nfs/dbraw/zinc/25/92/70/685259270.db2.gz QULKLRBYAZGHQJ-JQWIXIFHSA-N -1 1 360.439 2.308 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)NN=c1nc(OC)cc(C)[n-]1 ZINC000747620839 679892981 /nfs/dbraw/zinc/89/29/81/679892981.db2.gz IMXXEKOMFIWKOU-UHFFFAOYSA-N -1 1 350.444 2.224 20 0 FEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831129528 679929152 /nfs/dbraw/zinc/92/91/52/679929152.db2.gz FWGZJPGZGPFEEF-STQMWFEESA-N -1 1 350.381 2.109 20 0 FEADMM O=C(COC(=O)c1c(F)c(F)cc(F)c1F)[N-]C(=O)c1ccccc1 ZINC000748211742 679942678 /nfs/dbraw/zinc/94/26/78/679942678.db2.gz FCXFKYYMMINLMV-UHFFFAOYSA-N -1 1 355.243 2.356 20 0 FEADMM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3nc4c(s3)CCCC4)C2)cn1 ZINC000874051917 685280282 /nfs/dbraw/zinc/28/02/82/685280282.db2.gz WKGVKZNJOSIHMQ-STQMWFEESA-N -1 1 360.483 2.446 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1c[nH]nc1Cl)Oc1cc(F)cc(F)c1 ZINC000831490966 679991273 /nfs/dbraw/zinc/99/12/73/679991273.db2.gz YCZDQHDTGJPRQH-UHFFFAOYSA-N -1 1 365.789 2.477 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000831682823 680023415 /nfs/dbraw/zinc/02/34/15/680023415.db2.gz DTVWEOYJFFMYDI-UHFFFAOYSA-N -1 1 356.778 2.235 20 0 FEADMM COCCOC(=O)c1sc2[n-]c(-c3cncs3)nc(=O)c2c1C ZINC000749934587 680087531 /nfs/dbraw/zinc/08/75/31/680087531.db2.gz QEQIEJBRDXPHIE-UHFFFAOYSA-N -1 1 351.409 2.220 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000832364250 680127087 /nfs/dbraw/zinc/12/70/87/680127087.db2.gz FLNULPPXIUDJIK-NSHDSACASA-N -1 1 356.227 2.319 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)c1Cl ZINC000832615825 680156314 /nfs/dbraw/zinc/15/63/14/680156314.db2.gz GPVWGSXNGGXEKA-UHFFFAOYSA-N -1 1 369.874 2.144 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)o1 ZINC000751426260 680173550 /nfs/dbraw/zinc/17/35/50/680173550.db2.gz WYROWDBJQZRITL-LBPRGKRZSA-N -1 1 373.814 2.122 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](CCO)c2cccs2)c(F)c1 ZINC000751434173 680174377 /nfs/dbraw/zinc/17/43/77/680174377.db2.gz DETDZSPOJOYUGY-GFCCVEGCSA-N -1 1 363.407 2.437 20 0 FEADMM Cc1ncccc1/C=C\C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000832903667 680183988 /nfs/dbraw/zinc/18/39/88/680183988.db2.gz DDAUUUJFTCLNEN-FMFIFOJESA-N -1 1 355.360 2.320 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)c1sccc1F ZINC000993969254 680202471 /nfs/dbraw/zinc/20/24/71/680202471.db2.gz NNXCYXSOXXUUPF-GHMZBOCLSA-N -1 1 363.414 2.126 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccnn1C1CCOCC1 ZINC000834297903 680209410 /nfs/dbraw/zinc/20/94/10/680209410.db2.gz GTSGBPJREOPIPS-UHFFFAOYSA-N -1 1 367.203 2.350 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(OC(C)(C)C)c2)co1 ZINC000834536938 680239466 /nfs/dbraw/zinc/23/94/66/680239466.db2.gz BRNQAOAVMWIBNN-UHFFFAOYSA-N -1 1 366.439 2.295 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCS1 ZINC000834688268 680257131 /nfs/dbraw/zinc/25/71/31/680257131.db2.gz HWMRBEHTDOWCMP-GHMZBOCLSA-N -1 1 360.501 2.370 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000834802844 680270125 /nfs/dbraw/zinc/27/01/25/680270125.db2.gz ZCNKWEJISALRJV-LBPRGKRZSA-N -1 1 367.858 2.199 20 0 FEADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000834833918 680275158 /nfs/dbraw/zinc/27/51/58/680275158.db2.gz PSWSSOVKIZEAOE-LDYMZIIASA-N -1 1 350.724 2.119 20 0 FEADMM Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)s1 ZINC000996140888 680320864 /nfs/dbraw/zinc/32/08/64/680320864.db2.gz DMCQTWDSTSBJQH-AGIUHOORSA-N -1 1 357.435 2.333 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCSCc2ccccc2)c1 ZINC000753988685 680328815 /nfs/dbraw/zinc/32/88/15/680328815.db2.gz TWTOYPBTIFQAFS-UHFFFAOYSA-N -1 1 355.437 2.278 20 0 FEADMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1sccc1Br)C1CC1 ZINC000754886043 680387030 /nfs/dbraw/zinc/38/70/30/680387030.db2.gz SSKCVAZVCOBUGE-SECBINFHSA-N -1 1 368.274 2.131 20 0 FEADMM COC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)[n-]1 ZINC000836070565 680417534 /nfs/dbraw/zinc/41/75/34/680417534.db2.gz SIRVYPUMDMRQOY-ZWNOBZJWSA-N -1 1 352.387 2.404 20 0 FEADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cccc(I)c1[O-] ZINC000755742381 680432544 /nfs/dbraw/zinc/43/25/44/680432544.db2.gz BCEDXLKGLOAUJY-VHSXEESVSA-N -1 1 374.222 2.161 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCCOc2cc(C)cc(C)c2)co1 ZINC000756399414 680476685 /nfs/dbraw/zinc/47/66/85/680476685.db2.gz BREDJIWVVZHYCY-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM O=C([N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(F)(F)c1nccs1 ZINC000756540827 680483824 /nfs/dbraw/zinc/48/38/24/680483824.db2.gz BBRBNZJLWSNOJR-LBPRGKRZSA-N -1 1 369.368 2.291 20 0 FEADMM CCCCO[C@H]1C[C@@H](OC(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(C)C ZINC000756572129 680486569 /nfs/dbraw/zinc/48/65/69/680486569.db2.gz TVEGIHPCYAIZLA-QWHCGFSZSA-N -1 1 359.444 2.328 20 0 FEADMM O=C([N-][C@H]1CCN(c2ccccc2F)C1=O)C(F)(F)c1nccs1 ZINC000756698220 680492884 /nfs/dbraw/zinc/49/28/84/680492884.db2.gz YBLLPDHMEICPRZ-JTQLQIEISA-N -1 1 355.341 2.296 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2C[C@H](O)C[C@@H]2C)c1 ZINC000836740569 680505725 /nfs/dbraw/zinc/50/57/25/680505725.db2.gz PTQPBEOOKCSABO-GXFFZTMASA-N -1 1 359.348 2.161 20 0 FEADMM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1nnc3ccccn31)CC2 ZINC000758390130 680575294 /nfs/dbraw/zinc/57/52/94/680575294.db2.gz QTTZFKCPXMTAPF-UHFFFAOYSA-N -1 1 356.407 2.467 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCNC(=O)OC(C)(C)C ZINC000837271152 680577446 /nfs/dbraw/zinc/57/74/46/680577446.db2.gz BZGFIKFNRVWTAQ-UHFFFAOYSA-N -1 1 352.435 2.211 20 0 FEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(Cl)cc1 ZINC000987685220 680577855 /nfs/dbraw/zinc/57/78/55/680577855.db2.gz PQTXZSHPJHZZGE-RISCZKNCSA-N -1 1 359.813 2.474 20 0 FEADMM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(=O)c1ccco1 ZINC000837422746 680600699 /nfs/dbraw/zinc/60/06/99/680600699.db2.gz AGQXXTLGXANHJE-JTQLQIEISA-N -1 1 369.395 2.378 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCn1cc(Cl)cn1 ZINC000837480954 680609264 /nfs/dbraw/zinc/60/92/64/680609264.db2.gz IVULSQRJXQMEIK-UHFFFAOYSA-N -1 1 363.805 2.078 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000837575245 680621336 /nfs/dbraw/zinc/62/13/36/680621336.db2.gz LOMPQBQHDAJYJF-MWLCHTKSSA-N -1 1 371.821 2.309 20 0 FEADMM O=S(=O)([N-]C[C@H](O)c1ccsc1)c1ccc(Br)o1 ZINC000759070889 680624762 /nfs/dbraw/zinc/62/47/62/680624762.db2.gz NSRJWUDQHTYYPZ-QMMMGPOBSA-N -1 1 352.231 2.116 20 0 FEADMM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc21)c1ccc(Br)o1 ZINC000759071434 680624786 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CSCC[C@H](NC(=O)c1cc(Br)ccc1F)c1nn[n-]n1 ZINC000912860594 685459591 /nfs/dbraw/zinc/45/95/91/685459591.db2.gz YMCSQQDQBVEEIA-JTQLQIEISA-N -1 1 374.239 2.326 20 0 FEADMM CSCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nn[n-]n1 ZINC000912861999 685461121 /nfs/dbraw/zinc/46/11/21/685461121.db2.gz GLZOYDZNXLEOAZ-SBMIAAHKSA-N -1 1 371.388 2.331 20 0 FEADMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000778706986 681642365 /nfs/dbraw/zinc/64/23/65/681642365.db2.gz JRLUAUOSYFTQMX-UHFFFAOYSA-N -1 1 354.472 2.034 20 0 FEADMM CCC1(CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)COC1 ZINC000935415597 681746478 /nfs/dbraw/zinc/74/64/78/681746478.db2.gz CVXRYTJPPWYBLP-ZDUSSCGKSA-N -1 1 353.785 2.015 20 0 FEADMM O=C(c1cccc(SC(F)(F)F)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498503 685478756 /nfs/dbraw/zinc/47/87/56/685478756.db2.gz HVZRAOVMIYNVMC-SNVBAGLBSA-N -1 1 359.333 2.025 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC[S@@]1=O ZINC000935647219 681791411 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CC[C@@H](COC)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914135548 685495807 /nfs/dbraw/zinc/49/58/07/685495807.db2.gz ANGIRWOUIVORQM-QMMMGPOBSA-N -1 1 370.240 2.300 20 0 FEADMM CC[C@H](CCO)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914173478 685497310 /nfs/dbraw/zinc/49/73/10/685497310.db2.gz QDBWKDZBIFHVCP-STFLBKPXSA-N -1 1 374.406 2.029 20 0 FEADMM COC(=O)c1cc(OC)ccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000914424172 685507675 /nfs/dbraw/zinc/50/76/75/685507675.db2.gz WJAHDUJFXKHNPO-LBPRGKRZSA-N -1 1 369.361 2.347 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2cn(C(C)C)nn2)c1 ZINC000851233024 682039045 /nfs/dbraw/zinc/03/90/45/682039045.db2.gz XBDGRQGZMLDNLW-OIRASMEMSA-N -1 1 351.428 2.280 20 0 FEADMM COC(=O)c1ccc(C(=O)O[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[n-]1 ZINC000851429474 682064374 /nfs/dbraw/zinc/06/43/74/682064374.db2.gz RQARGFAJHGQCGY-GHMZBOCLSA-N -1 1 352.387 2.404 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)OC ZINC000915759071 685518191 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FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](OC)C3)c1 ZINC000783861379 682182659 /nfs/dbraw/zinc/18/26/59/682182659.db2.gz GGBYHAFZWDCTMN-MRXNPFEDSA-N -1 1 361.419 2.388 20 0 FEADMM CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000783901084 682185043 /nfs/dbraw/zinc/18/50/43/682185043.db2.gz JOIPTNRRAOLAIB-UHFFFAOYSA-N -1 1 372.219 2.355 20 0 FEADMM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cnn(C2CCC2)c1 ZINC000916829943 685528066 /nfs/dbraw/zinc/52/80/66/685528066.db2.gz VYFRRTVWFDMRBH-WCQYABFASA-N -1 1 367.393 2.386 20 0 FEADMM C[C@@H]1CCN(C(=O)NCCOC2CCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852062826 682212760 /nfs/dbraw/zinc/21/27/60/682212760.db2.gz BUDQSUXVPVDFSA-YPMHNXCESA-N -1 1 365.396 2.044 20 0 FEADMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000784395215 682223022 /nfs/dbraw/zinc/22/30/22/682223022.db2.gz VITKPTFOCSMSOE-JTQLQIEISA-N -1 1 365.883 2.110 20 0 FEADMM O=S(=O)([N-]Cc1nc(C2CC2)no1)c1sccc1Br ZINC000917923027 685535773 /nfs/dbraw/zinc/53/57/73/685535773.db2.gz JOBSGGMIIBWTJL-UHFFFAOYSA-N -1 1 364.246 2.250 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OC)c2F)c(OC)c1 ZINC000785489136 682302904 /nfs/dbraw/zinc/30/29/04/682302904.db2.gz XJYCXXGOJBADQU-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)c4ncccc4[O-])C[C@H]32)s1 ZINC000971121414 682327018 /nfs/dbraw/zinc/32/70/18/682327018.db2.gz FIHAHVNMKUCHIK-CHWSQXEVSA-N -1 1 357.435 2.144 20 0 FEADMM C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733570 682329056 /nfs/dbraw/zinc/32/90/56/682329056.db2.gz RVEYWPWZIGUBCO-LPWJVIDDSA-N -1 1 350.381 2.409 20 0 FEADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCCCC(F)(F)F ZINC000852735049 682331028 /nfs/dbraw/zinc/33/10/28/682331028.db2.gz DVIJQYDGEPDSLQ-RKDXNWHRSA-N -1 1 364.286 2.315 20 0 FEADMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000852736159 682332101 /nfs/dbraw/zinc/33/21/01/682332101.db2.gz 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O=C([N-]C[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)C1)C(F)(F)F ZINC000854525882 682561324 /nfs/dbraw/zinc/56/13/24/682561324.db2.gz IXHPVPMPIBGAON-JTQLQIEISA-N -1 1 359.348 2.084 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCC23COC3)c1)OCC(F)(F)F ZINC000854838554 682599031 /nfs/dbraw/zinc/59/90/31/682599031.db2.gz NPPVXPTZDIGYIF-UHFFFAOYSA-N -1 1 360.288 2.118 20 0 FEADMM C[C@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)CC2(CCOCC2)O1 ZINC000790392302 682672898 /nfs/dbraw/zinc/67/28/98/682672898.db2.gz ZPWWHMDAWZPNQK-ZDUSSCGKSA-N -1 1 361.471 2.230 20 0 FEADMM C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000856377438 682772548 /nfs/dbraw/zinc/77/25/48/682772548.db2.gz WOWZWXUESAKEOC-SNVBAGLBSA-N -1 1 365.459 2.003 20 0 FEADMM C[C@@H]1CCN(C(=O)[C@]2(O)CCCC(C)(C)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856414530 682777820 /nfs/dbraw/zinc/77/78/20/682777820.db2.gz MKDRKJXMVFGZOF-WQGACYEGSA-N -1 1 364.408 2.233 20 0 FEADMM C[C@@H]1CCN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856416318 682778484 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C[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cncs1 ZINC000898191286 690142361 /nfs/dbraw/zinc/14/23/61/690142361.db2.gz ARASCQOTDOHKQD-VHSXEESVSA-N -1 1 364.393 2.304 20 0 FEADMM O=C([O-])c1cn([C@@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)nn1 ZINC000901527829 690655441 /nfs/dbraw/zinc/65/54/41/690655441.db2.gz ZBMKZIUXMIAZHG-GFCCVEGCSA-N -1 1 358.427 2.265 20 0 FEADMM CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(OCCc2ccccc2)nc1 ZINC000901629616 690670680 /nfs/dbraw/zinc/67/06/80/690670680.db2.gz MMPXTTHEJCYJDK-UHFFFAOYSA-N -1 1 369.468 2.087 20 0 FEADMM COC1(CS(=O)(=O)[N-]c2nn(C(C)C)cc2Cl)CCOCC1 ZINC000901714189 690683395 /nfs/dbraw/zinc/68/33/95/690683395.db2.gz PSZBCEGUNYZHTF-UHFFFAOYSA-N -1 1 351.856 2.055 20 0 FEADMM O=C([O-])C1=CC[C@@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000901726927 690685189 /nfs/dbraw/zinc/68/51/89/690685189.db2.gz WRYVRPISDCVZLI-LLVKDONJSA-N -1 1 363.215 2.293 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(C2CCCC2)c1)C1CCOCC1 ZINC000901765129 690691310 /nfs/dbraw/zinc/69/13/10/690691310.db2.gz 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1 357.457 2.453 20 0 FEADMM C[C@H](c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1)[C@@H]1CCCO1 ZINC000903800682 690973495 /nfs/dbraw/zinc/97/34/95/690973495.db2.gz KJYVPRQAXSHJAJ-DCAQKATOSA-N -1 1 357.457 2.453 20 0 FEADMM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCO[C@H]1CCOC1 ZINC000903901553 690984297 /nfs/dbraw/zinc/98/42/97/690984297.db2.gz LDTOYOCFRQPDKK-SWLSCSKDSA-N -1 1 370.243 2.066 20 0 FEADMM Cc1c([C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cnn1C ZINC000904047146 690997680 /nfs/dbraw/zinc/99/76/80/690997680.db2.gz BVFJGJUJUCEFGR-OAHLLOKOSA-N -1 1 365.817 2.459 20 0 FEADMM Cc1cc(N2CCC[C@H](N[C@@H](C)C(=O)[O-])C2=O)ccc1Br ZINC000904231975 691014760 /nfs/dbraw/zinc/01/47/60/691014760.db2.gz PPZXHFIPKPQYIA-GWCFXTLKSA-N -1 1 355.232 2.316 20 0 FEADMM Cc1cc([N-]S(=O)(=O)N=S2(=O)CCCC2)cnc1C(F)(F)F ZINC000905104163 691068672 /nfs/dbraw/zinc/06/86/72/691068672.db2.gz JXESAPDZADCIKG-UHFFFAOYSA-N -1 1 357.379 2.327 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CCN1CCCC1 ZINC000906852722 691328337 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691600975 /nfs/dbraw/zinc/60/09/75/691600975.db2.gz DKLUSQKXXBWJML-CABCVRRESA-N -1 1 365.373 2.458 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1noc3ccccc31)CCO2 ZINC000908025306 691601207 /nfs/dbraw/zinc/60/12/07/691601207.db2.gz UJBPCHNNDFLZDV-SJORKVTESA-N -1 1 366.439 2.323 20 0 FEADMM CCOC(=O)[C@H](F)C1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000908402518 691673669 /nfs/dbraw/zinc/67/36/69/691673669.db2.gz IWBRKPKAHDFEQS-CQSZACIVSA-N -1 1 350.321 2.053 20 0 FEADMM CN(C)[C@H](C(=O)Nc1cccc([O-])c1Br)c1cncn1C ZINC000908706913 691715777 /nfs/dbraw/zinc/71/57/77/691715777.db2.gz AYKRTORMKZCLBV-ZDUSSCGKSA-N -1 1 353.220 2.130 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000908716627 691717429 /nfs/dbraw/zinc/71/74/29/691717429.db2.gz JNWMAYJOXLVCCK-ZJUUUORDSA-N -1 1 370.121 2.440 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)c1cccs1 ZINC000908747557 691721746 /nfs/dbraw/zinc/72/17/46/691721746.db2.gz UDRZZAOBLMORKL-LLVKDONJSA-N -1 1 357.501 2.000 20 0 FEADMM O=C([O-])[C@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000908748754 691722282 /nfs/dbraw/zinc/72/22/82/691722282.db2.gz ZLWCGQZKHCSFEG-WDEREUQCSA-N -1 1 363.336 2.121 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCSC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000909122673 691781443 /nfs/dbraw/zinc/78/14/43/691781443.db2.gz MSWVAQCPWDRWDH-KGLIPLIRSA-N -1 1 371.890 2.154 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N(Cc2c(F)cccc2F)C2CC2)C1 ZINC000909728954 691849704 /nfs/dbraw/zinc/84/97/04/691849704.db2.gz UNGRJEGPWLZMDU-LBPRGKRZSA-N -1 1 352.381 2.252 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000909853618 691864705 /nfs/dbraw/zinc/86/47/05/691864705.db2.gz HXCDPTOKIWIONM-NWDGAFQWSA-N -1 1 364.199 2.113 20 0 FEADMM O=C([O-])[C@H]1CSCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000910145489 691894051 /nfs/dbraw/zinc/89/40/51/691894051.db2.gz SMOLPRLKFFRTBN-IAGOWNOFSA-N -1 1 362.495 2.317 20 0 FEADMM Cc1cc(Br)cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000910173907 691896725 /nfs/dbraw/zinc/89/67/25/691896725.db2.gz OPRKCAOJQGZCRA-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC000910172283 691896771 /nfs/dbraw/zinc/89/67/71/691896771.db2.gz ALZSTAGMEYKQCX-GFCCVEGCSA-N -1 1 363.845 2.371 20 0 FEADMM CN(CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])[C@@H]1CCSC1 ZINC000910314631 691914920 /nfs/dbraw/zinc/91/49/20/691914920.db2.gz LAHGNRQXODULKL-PBHICJAKSA-N -1 1 370.902 2.279 20 0 FEADMM COC[C@@H](C)n1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000506510769 888564746 /nfs/dbraw/zinc/56/47/46/888564746.db2.gz ILNBSMIOAKUDSB-GFCCVEGCSA-N -1 1 353.382 2.297 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000908761377 939316308 /nfs/dbraw/zinc/31/63/08/939316308.db2.gz ROIVPVNITRQSSY-DLBZAZTESA-N -1 1 369.506 2.066 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000909127307 939383098 /nfs/dbraw/zinc/38/30/98/939383098.db2.gz WAAMRDYLTOGKCN-KGLIPLIRSA-N -1 1 373.375 2.471 20 0 FEADMM O=C([O-])[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1 ZINC000911063596 939769539 /nfs/dbraw/zinc/76/95/39/939769539.db2.gz KWCSLONNSKWWRD-YGRLFVJLSA-N -1 1 367.327 2.476 20 0 FEADMM COc1ccc([C@@H](CNC(=O)[C@H](C(=O)[O-])C2CC2)N2CCCCC2)cc1 ZINC000656847601 939847095 /nfs/dbraw/zinc/84/70/95/939847095.db2.gz INNUEGFSZWTAMU-QZTJIDSGSA-N -1 1 360.454 2.449 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)[C@@H](C(=O)[O-])C1CC1)N1CCCCC1 ZINC000663108168 939855798 /nfs/dbraw/zinc/85/57/98/939855798.db2.gz OGPAMEDWIIYWIF-AEFFLSMTSA-N -1 1 360.454 2.449 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1Cl ZINC000007362303 539456031 /nfs/dbraw/zinc/45/60/31/539456031.db2.gz CZEXAXLPNVUYNK-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1C ZINC000007423594 539458133 /nfs/dbraw/zinc/45/81/33/539458133.db2.gz PEIZGOCASRMOOJ-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM NC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000010044278 539511783 /nfs/dbraw/zinc/51/17/83/539511783.db2.gz VKTYLOHDWMPVFI-LBPRGKRZSA-N -1 1 359.234 2.498 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2C ZINC000011908346 539538496 /nfs/dbraw/zinc/53/84/96/539538496.db2.gz LDCMWNNQYKYIDT-UHFFFAOYSA-N -1 1 350.371 2.290 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000017321561 539641615 /nfs/dbraw/zinc/64/16/15/539641615.db2.gz KKNBUJXRFRYRMS-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000029044898 539841556 /nfs/dbraw/zinc/84/15/56/539841556.db2.gz DUNNEJNCPFAPAZ-UHFFFAOYSA-N -1 1 360.844 2.049 20 0 FEADMM C[C@@H]1CN(c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cn2)C[C@@H](C)O1 ZINC000030040243 539874080 /nfs/dbraw/zinc/87/40/80/539874080.db2.gz WVQOACCGJAEFEN-RKDXNWHRSA-N -1 1 370.335 2.084 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1F ZINC000032589828 539943450 /nfs/dbraw/zinc/94/34/50/539943450.db2.gz AMGXHKRNLQWZFD-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)o1 ZINC000033042287 539964766 /nfs/dbraw/zinc/96/47/66/539964766.db2.gz HUSPQKFEUANSHP-UHFFFAOYSA-N -1 1 364.379 2.216 20 0 FEADMM COc1cc(NC(=O)c2cc(Cl)cn2C)ccc1[N-]S(C)(=O)=O ZINC000033069967 539966517 /nfs/dbraw/zinc/96/65/17/539966517.db2.gz XBUWZBYADYRIGL-UHFFFAOYSA-N -1 1 357.819 2.311 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc2[nH]1 ZINC000033077151 539966593 /nfs/dbraw/zinc/96/65/93/539966593.db2.gz AEAFPKVMHFPPEW-UHFFFAOYSA-N -1 1 358.375 2.100 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2C(=O)N(C)C)c(=O)[n-]1 ZINC000033110053 539968188 /nfs/dbraw/zinc/96/81/88/539968188.db2.gz FCFFYMPSCXOMGA-UHFFFAOYSA-N -1 1 374.466 2.486 20 0 FEADMM Cc1ccc(N2C[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)cc1 ZINC000036714122 539993708 /nfs/dbraw/zinc/99/37/08/539993708.db2.gz MITCFHRTCGRGOM-SECBINFHSA-N -1 1 353.304 2.124 20 0 FEADMM CC[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)N(C)C(=O)OC(C)(C)C ZINC000823210236 675536649 /nfs/dbraw/zinc/53/66/49/675536649.db2.gz ZACCEHTXOPGQNY-ZETCQYMHSA-N -1 1 351.329 2.408 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000800942845 674092499 /nfs/dbraw/zinc/09/24/99/674092499.db2.gz IEIYEYNAUALDDG-UHFFFAOYSA-N -1 1 374.768 2.388 20 0 FEADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000044707627 540137087 /nfs/dbraw/zinc/13/70/87/540137087.db2.gz CHFWMQGKASWKBV-OAHLLOKOSA-N -1 1 369.465 2.218 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c(=O)[n-]1 ZINC000044755552 540139462 /nfs/dbraw/zinc/13/94/62/540139462.db2.gz UJWDOTWPIYLGHO-UHFFFAOYSA-N -1 1 360.395 2.218 20 0 FEADMM COc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000047330278 540304162 /nfs/dbraw/zinc/30/41/62/540304162.db2.gz SKMPAYUCAVPIQB-UHFFFAOYSA-N -1 1 350.378 2.330 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)o1 ZINC000048155413 540347691 /nfs/dbraw/zinc/34/76/91/540347691.db2.gz BRIPHYBFERVHMV-VIFPVBQESA-N -1 1 358.366 2.299 20 0 FEADMM CCNC(=O)c1ccc(=NCCOc2cccc(C(F)(F)F)n2)[n-]n1 ZINC000536086046 540549251 /nfs/dbraw/zinc/54/92/51/540549251.db2.gz JNHRNOJAEPMVOS-UHFFFAOYSA-N -1 1 355.320 2.131 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1F ZINC000055586702 540661626 /nfs/dbraw/zinc/66/16/26/540661626.db2.gz FCWSNTJVHIVWEM-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM CO[C@@H](CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000056470367 540728210 /nfs/dbraw/zinc/72/82/10/540728210.db2.gz MAPOHECSHXTKIB-HNNXBMFYSA-N -1 1 361.467 2.237 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000056934534 540755709 /nfs/dbraw/zinc/75/57/09/540755709.db2.gz SMFAUTXVEBTTKL-CYBMUJFWSA-N -1 1 352.438 2.472 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000538273166 540835289 /nfs/dbraw/zinc/83/52/89/540835289.db2.gz GULPVFPTTYFWBV-LBPRGKRZSA-N -1 1 361.398 2.149 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1cc(F)ccc1F ZINC000058754874 540855044 /nfs/dbraw/zinc/85/50/44/540855044.db2.gz PYUYAEYUPDOGSU-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1C ZINC000063878470 541190771 /nfs/dbraw/zinc/19/07/71/541190771.db2.gz PWCOGKGBADAJCW-UHFFFAOYSA-N -1 1 360.391 2.303 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)cc1 ZINC000064477386 541206994 /nfs/dbraw/zinc/20/69/94/541206994.db2.gz SIIPEUTWBGOODU-UHFFFAOYSA-N -1 1 351.453 2.378 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1 ZINC000064477545 541207404 /nfs/dbraw/zinc/20/74/04/541207404.db2.gz BXICXZSNMXDVHY-UHFFFAOYSA-N -1 1 359.407 2.079 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(-c4cc[nH]n4)cc3)cc2N1 ZINC000064621347 541212984 /nfs/dbraw/zinc/21/29/84/541212984.db2.gz SUCGMBQICGANNH-UHFFFAOYSA-N -1 1 370.390 2.208 20 0 FEADMM NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000066143261 541284463 /nfs/dbraw/zinc/28/44/63/541284463.db2.gz JOONPRQFBOPCGD-SNVBAGLBSA-N -1 1 355.232 2.272 20 0 FEADMM CC(=O)N(CCC(=O)NCc1n[n-]c(=S)n1C1CC1)Cc1ccccc1 ZINC000066638554 541353039 /nfs/dbraw/zinc/35/30/39/541353039.db2.gz IFXKDDSBKWDHEV-UHFFFAOYSA-N -1 1 373.482 2.331 20 0 FEADMM COc1cc(OC)c(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1OC ZINC000066649976 541354832 /nfs/dbraw/zinc/35/48/32/541354832.db2.gz LGNONKYBCPJBGT-UHFFFAOYSA-N -1 1 366.443 2.477 20 0 FEADMM CCn1nc(C)c(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000066733399 541366835 /nfs/dbraw/zinc/36/68/35/541366835.db2.gz IUXLDBPRSURMCJ-UHFFFAOYSA-N -1 1 370.457 2.134 20 0 FEADMM CC(C)n1c(CCNC(=O)c2ccc(C(=O)N(C)C)cc2)n[n-]c1=S ZINC000067073624 541413586 /nfs/dbraw/zinc/41/35/86/541413586.db2.gz JFQJJTQNFNZJQL-UHFFFAOYSA-N -1 1 361.471 2.196 20 0 FEADMM CCOc1ccccc1OCC(=O)NCCc1n[n-]c(=S)n1CC ZINC000067076415 541414686 /nfs/dbraw/zinc/41/46/86/541414686.db2.gz PXSMCRYOHQOFCE-UHFFFAOYSA-N -1 1 350.444 2.097 20 0 FEADMM COc1cccc2c1OC[C@@H](C(=O)NCCc1n[n-]c(=S)n1C1CC1)C2 ZINC000067079662 541414692 /nfs/dbraw/zinc/41/46/92/541414692.db2.gz OHKRVOMBYOEZNU-LBPRGKRZSA-N -1 1 374.466 2.194 20 0 FEADMM Cc1nn(C)c2nc(C)cc(C(=O)NCCc3n[n-]c(=S)n3C3CC3)c12 ZINC000067079013 541414871 /nfs/dbraw/zinc/41/48/71/541414871.db2.gz SPKULLOBUNVNBI-UHFFFAOYSA-N -1 1 371.470 2.147 20 0 FEADMM CN(Cc1ccncc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000068029706 541540324 /nfs/dbraw/zinc/54/03/24/541540324.db2.gz DQFSPTBJKGRYMB-UHFFFAOYSA-N -1 1 351.428 2.024 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)NC(C)(C)C ZINC000068345868 541580040 /nfs/dbraw/zinc/58/00/40/541580040.db2.gz GBLHNANGWNINKB-SSDOTTSWSA-N -1 1 369.306 2.092 20 0 FEADMM COCCOCCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068446804 541593668 /nfs/dbraw/zinc/59/36/68/541593668.db2.gz SHGDHGNQFRVAKV-UHFFFAOYSA-N -1 1 356.492 2.281 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCN1c1ccccc1 ZINC000068941668 541643133 /nfs/dbraw/zinc/64/31/33/541643133.db2.gz FBZWXRCZTWTFGK-AWEZNQCLSA-N -1 1 370.352 2.188 20 0 FEADMM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000070724838 541739384 /nfs/dbraw/zinc/73/93/84/541739384.db2.gz XRHHTYXVZYJAKZ-UHFFFAOYSA-N -1 1 364.365 2.181 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c1C ZINC000551020796 674120702 /nfs/dbraw/zinc/12/07/02/674120702.db2.gz QMWFXHYTURXTGJ-GFCCVEGCSA-N -1 1 355.382 2.113 20 0 FEADMM O=C(OCC[C@@H]1CCOC1=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374742 674124854 /nfs/dbraw/zinc/12/48/54/674124854.db2.gz BETIRNNKTZKDMI-JTQLQIEISA-N -1 1 350.758 2.341 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N1CCCC1 ZINC000072995227 541906342 /nfs/dbraw/zinc/90/63/42/541906342.db2.gz BHUDNNUBRMWTOW-AWEZNQCLSA-N -1 1 364.389 2.029 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)(C)C ZINC000073214466 541930615 /nfs/dbraw/zinc/93/06/15/541930615.db2.gz OFRATAIBNZGJCM-LBPRGKRZSA-N -1 1 360.476 2.147 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC(O)CC1 ZINC000073298051 541939998 /nfs/dbraw/zinc/93/99/98/541939998.db2.gz NWTSKYSQNLJPQF-UHFFFAOYSA-N -1 1 360.435 2.084 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000074162177 542045215 /nfs/dbraw/zinc/04/52/15/542045215.db2.gz DEWHBXPKFMZNKI-UHFFFAOYSA-N -1 1 364.449 2.377 20 0 FEADMM O=C(NCc1ccc[nH]1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000074127576 542040722 /nfs/dbraw/zinc/04/07/22/542040722.db2.gz ZSRUHHWOTTUIIA-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM Cc1ccccc1SCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000074162210 542045534 /nfs/dbraw/zinc/04/55/34/542045534.db2.gz BBFVIWVBUOOFFB-UHFFFAOYSA-N -1 1 356.451 2.356 20 0 FEADMM COc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Br ZINC000801700099 674144101 /nfs/dbraw/zinc/14/41/01/674144101.db2.gz GSSIHWJOJQSDEW-UHFFFAOYSA-N -1 1 361.199 2.365 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3ccn(-c4ccccc4Cl)n3)ccnc1-2 ZINC000801700111 674144163 /nfs/dbraw/zinc/14/41/63/674144163.db2.gz HGXJXNNNXOONOU-UHFFFAOYSA-N -1 1 352.785 2.433 20 0 FEADMM COCCOc1ccc(Cl)cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801703742 674144524 /nfs/dbraw/zinc/14/45/24/674144524.db2.gz UZXPNRPDZGRCOA-UHFFFAOYSA-N -1 1 360.801 2.273 20 0 FEADMM CCC1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000077383558 542375322 /nfs/dbraw/zinc/37/53/22/542375322.db2.gz KOOFSUSYUGCXHC-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1 ZINC000078622315 542472656 /nfs/dbraw/zinc/47/26/56/542472656.db2.gz DPCMGNOQUPVRLQ-ZDUSSCGKSA-N -1 1 360.487 2.441 20 0 FEADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000079864945 542546076 /nfs/dbraw/zinc/54/60/76/542546076.db2.gz OTPISHAZQAFMAX-TZMCWYRMSA-N -1 1 362.455 2.482 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(C)c2ccccc2C1 ZINC000080659138 542599554 /nfs/dbraw/zinc/59/95/54/542599554.db2.gz JZPFYIPRMGFGHJ-UHFFFAOYSA-N -1 1 354.454 2.468 20 0 FEADMM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1cc2ccccc2o1 ZINC000084936751 542723130 /nfs/dbraw/zinc/72/31/30/542723130.db2.gz YKUIKXGBQOXICI-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)[nH]n1 ZINC000086170796 542734744 /nfs/dbraw/zinc/73/47/44/542734744.db2.gz BMGXVTWULGXGEN-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094090567 542951002 /nfs/dbraw/zinc/95/10/02/542951002.db2.gz ZUTUUOSEHCFEHI-LLVKDONJSA-N -1 1 373.272 2.148 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)N1CCCC[C@H]1C ZINC000102411906 543068986 /nfs/dbraw/zinc/06/89/86/543068986.db2.gz WJMKQKARSRIJKR-ZJUUUORDSA-N -1 1 364.389 2.172 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000102895143 543084683 /nfs/dbraw/zinc/08/46/83/543084683.db2.gz LOFTVRNXUJZTHU-UHFFFAOYSA-N -1 1 364.159 2.387 20 0 FEADMM Cc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)[nH]1 ZINC000103256762 543099778 /nfs/dbraw/zinc/09/97/78/543099778.db2.gz MRXOVTFOABKMCE-UHFFFAOYSA-N -1 1 363.424 2.228 20 0 FEADMM O=C(NCCc1nc2c(s1)CCCC2)c1nc2ccccc2c(=O)[n-]1 ZINC000104767074 543143011 /nfs/dbraw/zinc/14/30/11/543143011.db2.gz GMYLDTXSNYWHGZ-UHFFFAOYSA-N -1 1 354.435 2.231 20 0 FEADMM O=C([C@@H](c1ccccc1)S(=O)(=O)c1nc(C2CC2)n[n-]1)N1CCCCC1 ZINC000105723874 543180940 /nfs/dbraw/zinc/18/09/40/543180940.db2.gz KQJWSMSGDOSFAK-OAHLLOKOSA-N -1 1 374.466 2.210 20 0 FEADMM O=C([C@@H](c1ccccc1)S(=O)(=O)c1n[n-]c(C2CC2)n1)N1CCCCC1 ZINC000105723874 543180942 /nfs/dbraw/zinc/18/09/42/543180942.db2.gz KQJWSMSGDOSFAK-OAHLLOKOSA-N -1 1 374.466 2.210 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C2CCSCC2)n[n-]1 ZINC000551921621 674173307 /nfs/dbraw/zinc/17/33/07/674173307.db2.gz XHFVRDVAZDWNMT-GFCCVEGCSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C2CCSCC2)[n-]1 ZINC000551921621 674173309 /nfs/dbraw/zinc/17/33/09/674173309.db2.gz XHFVRDVAZDWNMT-GFCCVEGCSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C2CCSCC2)n1 ZINC000551921621 674173314 /nfs/dbraw/zinc/17/33/14/674173314.db2.gz XHFVRDVAZDWNMT-GFCCVEGCSA-N -1 1 354.476 2.328 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(F)cc1 ZINC000111346738 543398119 /nfs/dbraw/zinc/39/81/19/543398119.db2.gz KQUQKUZMSQWOFI-UHFFFAOYSA-N -1 1 372.368 2.202 20 0 FEADMM CCS[C@H]1CCCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000112037631 543428232 /nfs/dbraw/zinc/42/82/32/543428232.db2.gz MTWNFPRVGKIPAI-AWEZNQCLSA-N -1 1 362.499 2.316 20 0 FEADMM Cc1ccc(OCCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000114412688 543513986 /nfs/dbraw/zinc/51/39/86/543513986.db2.gz RWMVUVITMSPTCD-UHFFFAOYSA-N -1 1 368.437 2.423 20 0 FEADMM O=S(=O)([N-]CCn1cc(Br)cn1)c1cc2ccccc2o1 ZINC000552127308 674189461 /nfs/dbraw/zinc/18/94/61/674189461.db2.gz SCWBZLHDHGSHRK-UHFFFAOYSA-N -1 1 370.228 2.370 20 0 FEADMM NC(=O)NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000802721933 674193039 /nfs/dbraw/zinc/19/30/39/674193039.db2.gz CBWBQUUEJZBCNA-UHFFFAOYSA-N -1 1 369.349 2.234 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116094762 543597924 /nfs/dbraw/zinc/59/79/24/543597924.db2.gz DQWNEWJWLIWNBN-SWLSCSKDSA-N -1 1 372.375 2.132 20 0 FEADMM Cc1ccc(CCNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000116209952 543605061 /nfs/dbraw/zinc/60/50/61/543605061.db2.gz REPCRAFURWJXAQ-UHFFFAOYSA-N -1 1 362.433 2.350 20 0 FEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1cc2ccccc2o1 ZINC000124304779 543813752 /nfs/dbraw/zinc/81/37/52/543813752.db2.gz HZBUZJUCMHKAGT-CYBMUJFWSA-N -1 1 363.416 2.240 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)cc1Br ZINC000124509112 543826117 /nfs/dbraw/zinc/82/61/17/543826117.db2.gz XJEGUECIBWKVMF-SNVBAGLBSA-N -1 1 352.236 2.455 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nn[n-]n1 ZINC000124556780 543828894 /nfs/dbraw/zinc/82/88/94/543828894.db2.gz BCOKRVGLKIWYBW-JTQLQIEISA-N -1 1 360.418 2.262 20 0 FEADMM CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124216189 543807079 /nfs/dbraw/zinc/80/70/79/543807079.db2.gz MKRODKMFSJOGCK-CYBMUJFWSA-N -1 1 369.429 2.050 20 0 FEADMM C[C@@H](CN(C)C(=O)c1c[nH]c2cccc(Br)c12)c1nn[n-]n1 ZINC000124246109 543809197 /nfs/dbraw/zinc/80/91/97/543809197.db2.gz GXYJBGZOBZNLCU-QMMMGPOBSA-N -1 1 363.219 2.319 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1cc(Br)cs1)c1nn[n-]n1 ZINC000124565790 543829670 /nfs/dbraw/zinc/82/96/70/543829670.db2.gz ZLKQRNQMKNQFSI-QMMMGPOBSA-N -1 1 358.265 2.218 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccc(Br)cc1)c1nn[n-]n1 ZINC000124579961 543830405 /nfs/dbraw/zinc/83/04/05/543830405.db2.gz DLXUMDQLKBXTGY-ZJUUUORDSA-N -1 1 352.236 2.328 20 0 FEADMM Cn1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)c(C(F)(F)F)n1 ZINC000124941402 543852490 /nfs/dbraw/zinc/85/24/90/543852490.db2.gz ACZJSZHKRNSOFB-UHFFFAOYSA-N -1 1 355.288 2.196 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CO)cc1 ZINC000125175334 543865671 /nfs/dbraw/zinc/86/56/71/543865671.db2.gz YTWLVSBLEICCKB-INIZCTEOSA-N -1 1 374.462 2.393 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)CO)c2)cc1 ZINC000125916986 543908608 /nfs/dbraw/zinc/90/86/08/543908608.db2.gz WLNWGRVXFLMISU-CQSZACIVSA-N -1 1 362.451 2.249 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)ccc2O1 ZINC000126878412 543960625 /nfs/dbraw/zinc/96/06/25/543960625.db2.gz SMYQUEBXPNFBNP-NSHDSACASA-N -1 1 363.439 2.428 20 0 FEADMM Cc1ccc([C@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000127364214 543988704 /nfs/dbraw/zinc/98/87/04/543988704.db2.gz WWBFRELNKRLBPR-CYBMUJFWSA-N -1 1 352.438 2.410 20 0 FEADMM Cn1cnnc1C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000127458608 543994762 /nfs/dbraw/zinc/99/47/62/543994762.db2.gz SSMAGEQXHRVSMU-UHFFFAOYSA-N -1 1 365.231 2.303 20 0 FEADMM O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1)c1ccco1 ZINC000129313728 544104301 /nfs/dbraw/zinc/10/43/01/544104301.db2.gz PGTSPTGPFKYHNP-CYBMUJFWSA-N -1 1 366.381 2.065 20 0 FEADMM CCn1c2ccccc2nc1SCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129342500 544106949 /nfs/dbraw/zinc/10/69/49/544106949.db2.gz SNCKUMQGWGCSFG-LBPRGKRZSA-N -1 1 371.470 2.068 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c(C)o1 ZINC000130532913 544154705 /nfs/dbraw/zinc/15/47/05/544154705.db2.gz WAQRNWKWAIAPDM-UHFFFAOYSA-N -1 1 350.396 2.295 20 0 FEADMM O=S(=O)([N-]c1ccccc1Br)c1cnn([C@H]2CCOC2)c1 ZINC000131493585 544191835 /nfs/dbraw/zinc/19/18/35/544191835.db2.gz UEFGSGQANCCWST-JTQLQIEISA-N -1 1 372.244 2.408 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3n[nH]cc3c2)o1 ZINC000106133851 222383760 /nfs/dbraw/zinc/38/37/60/222383760.db2.gz ASJNFCJGOTZICO-UHFFFAOYSA-N -1 1 362.411 2.485 20 0 FEADMM COC(=O)Cc1nc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n[nH]1 ZINC000135171655 544337072 /nfs/dbraw/zinc/33/70/72/544337072.db2.gz ZEGWJSNFUFEEGU-UHFFFAOYSA-N -1 1 361.745 2.081 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)ccc1F ZINC000135321781 544341884 /nfs/dbraw/zinc/34/18/84/544341884.db2.gz KLYCELKYQYOOHD-HSZRJFAPSA-N -1 1 370.427 2.322 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000135389533 544344987 /nfs/dbraw/zinc/34/49/87/544344987.db2.gz KXZMYDARSQSDIZ-UHFFFAOYSA-N -1 1 358.419 2.366 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)cnc2n1 ZINC000137127174 544384974 /nfs/dbraw/zinc/38/49/74/544384974.db2.gz IDHFXXUXRKUJAJ-LBPRGKRZSA-N -1 1 366.425 2.104 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCc3nc(C(C)C)nn3C1)c2=O ZINC000137127174 544384976 /nfs/dbraw/zinc/38/49/76/544384976.db2.gz IDHFXXUXRKUJAJ-LBPRGKRZSA-N -1 1 366.425 2.104 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)Oc1cccc(Br)c1)c1nn[n-]n1 ZINC000136676587 544376729 /nfs/dbraw/zinc/37/67/29/544376729.db2.gz IKVMAXLGDCKCRM-SKDRFNHKSA-N -1 1 368.235 2.387 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nn[n-]n1 ZINC000136702545 544377279 /nfs/dbraw/zinc/37/72/79/544377279.db2.gz QPFVMJJSOPGXCU-MRXNPFEDSA-N -1 1 370.457 2.277 20 0 FEADMM Cc1nc2nc(S(=O)(=O)C[C@@H]3CCCCO3)[n-]c2cc1Br ZINC000152019302 544606990 /nfs/dbraw/zinc/60/69/90/544606990.db2.gz YIRDOGHRWAGGEI-VIFPVBQESA-N -1 1 374.260 2.372 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)C[C@@H]3CCCCO3)nc-2cc1Br ZINC000152019302 544606997 /nfs/dbraw/zinc/60/69/97/544606997.db2.gz YIRDOGHRWAGGEI-VIFPVBQESA-N -1 1 374.260 2.372 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1nn[n-]n1 ZINC000152568551 544668682 /nfs/dbraw/zinc/66/86/82/544668682.db2.gz OGCJNEHJTKMOGP-GFCCVEGCSA-N -1 1 365.825 2.218 20 0 FEADMM CC(C)(C)CCS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000152320712 544638800 /nfs/dbraw/zinc/63/88/00/544638800.db2.gz CQKMQFJEQGTILB-JTQLQIEISA-N -1 1 370.479 2.298 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Sc2ccccc2)co1 ZINC000153940671 544843006 /nfs/dbraw/zinc/84/30/06/544843006.db2.gz MKFQXYWYLRNEQO-LLVKDONJSA-N -1 1 354.453 2.098 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1CO ZINC000154023942 544854986 /nfs/dbraw/zinc/85/49/86/544854986.db2.gz RXPQFYZSZAULFX-MRXNPFEDSA-N -1 1 360.435 2.084 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H]3[C@H](O)C(F)(F)F)cnc2n1 ZINC000155005407 544976038 /nfs/dbraw/zinc/97/60/38/544976038.db2.gz YCZCIYTUXVEEID-YPMHNXCESA-N -1 1 355.316 2.172 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@H](O)C(F)(F)F)c[n-]c2n1 ZINC000155005407 544976041 /nfs/dbraw/zinc/97/60/41/544976041.db2.gz YCZCIYTUXVEEID-YPMHNXCESA-N -1 1 355.316 2.172 20 0 FEADMM C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[N-]C(=O)C(F)(F)F)c2)C1=O ZINC000803479967 674245520 /nfs/dbraw/zinc/24/55/20/674245520.db2.gz QSLARYWULUSQAL-HNNXBMFYSA-N -1 1 355.316 2.090 20 0 FEADMM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179540532 327648766 /nfs/dbraw/zinc/64/87/66/327648766.db2.gz ZUMXDCBFBQPSLX-HNNXBMFYSA-N -1 1 362.451 2.493 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)c2cccnc2)c2ccc(Cl)cc2)no1 ZINC000179987770 327667153 /nfs/dbraw/zinc/66/71/53/327667153.db2.gz LCCMZNXMSGNNSB-CQSZACIVSA-N -1 1 364.814 2.494 20 0 FEADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000181029018 327713168 /nfs/dbraw/zinc/71/31/68/327713168.db2.gz HFGXBSKGFXARGS-QWRGUYRKSA-N -1 1 352.437 2.152 20 0 FEADMM O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([O-])cc1F ZINC000181050879 327714028 /nfs/dbraw/zinc/71/40/28/327714028.db2.gz INOJXDNCTJGEJK-SFHVURJKSA-N -1 1 362.376 2.474 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CCSc2nnnn2C)c1 ZINC000182910155 327793422 /nfs/dbraw/zinc/79/34/22/327793422.db2.gz UJPJNEMGLHXZDH-UHFFFAOYSA-N -1 1 372.248 2.108 20 0 FEADMM COCC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cccc(F)c1 ZINC000184671053 327878250 /nfs/dbraw/zinc/87/82/50/327878250.db2.gz PLGBCNSUJLUDTM-UHFFFAOYSA-N -1 1 364.398 2.162 20 0 FEADMM O=C(NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc([O-])cc1F ZINC000185043226 327896327 /nfs/dbraw/zinc/89/63/27/327896327.db2.gz LDQZKIRDGUQFSJ-UHFFFAOYSA-N -1 1 364.398 2.001 20 0 FEADMM CCN1CCN(C(=O)c2ccc(Br)cc2[O-])C(C)(C)C1=O ZINC000186442678 327962368 /nfs/dbraw/zinc/96/23/68/327962368.db2.gz XYLUKNOXPRWYPU-UHFFFAOYSA-N -1 1 355.232 2.238 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1F ZINC000187066966 328000268 /nfs/dbraw/zinc/00/02/68/328000268.db2.gz JXPNCXSSHQGQIC-UHFFFAOYSA-N -1 1 364.398 2.462 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(NS(C)(=O)=O)c1 ZINC000187242173 328010832 /nfs/dbraw/zinc/01/08/32/328010832.db2.gz ICRUWTFOPOWSDD-UHFFFAOYSA-N -1 1 354.453 2.421 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(-c2c(F)cccc2F)n1)c1nn[n-]n1 ZINC000187272556 328012298 /nfs/dbraw/zinc/01/22/98/328012298.db2.gz FARWSCGHIRREKR-MRVPVSSYSA-N -1 1 364.381 2.477 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@@H](C(=O)[O-])C[C@@H]3CCCC[C@H]32)n[nH]1 ZINC000187551374 328032931 /nfs/dbraw/zinc/03/29/31/328032931.db2.gz FZYSTFUBXUJNHR-APHBMKBZSA-N -1 1 371.441 2.285 20 0 FEADMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(C)C ZINC000188120878 328067592 /nfs/dbraw/zinc/06/75/92/328067592.db2.gz JSOZSOMSNAGWOJ-NSHDSACASA-N -1 1 357.234 2.181 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@@H](O)C1)c1cc(Br)c(F)cc1F ZINC000188334152 328081486 /nfs/dbraw/zinc/08/14/86/328081486.db2.gz KTSBWQXBASRWCG-JGVFFNPUSA-N -1 1 370.215 2.167 20 0 FEADMM CC(C)CN1CCN(C(=O)c2cc(Br)ccc2[O-])CC1=O ZINC000188653180 328101711 /nfs/dbraw/zinc/10/17/11/328101711.db2.gz PZWSDVHPEXLHQA-UHFFFAOYSA-N -1 1 355.232 2.095 20 0 FEADMM O=C(NC[C@H]1CC[C@@H](O)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000191211709 328254251 /nfs/dbraw/zinc/25/42/51/328254251.db2.gz OEXIAMWUKIVWJZ-WMLDXEAASA-N -1 1 374.462 2.378 20 0 FEADMM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(I)ccc1[O-] ZINC000192614078 328328709 /nfs/dbraw/zinc/32/87/09/328328709.db2.gz GNOYGCBIAUWDPP-BDAKNGLRSA-N -1 1 361.179 2.246 20 0 FEADMM C[C@@H]1CCCN(C(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000193037728 328353429 /nfs/dbraw/zinc/35/34/29/328353429.db2.gz JEWZQHPTSJERFA-GFCCVEGCSA-N -1 1 351.472 2.415 20 0 FEADMM C[C@@H]1CCCN(C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000193037728 328353431 /nfs/dbraw/zinc/35/34/31/328353431.db2.gz JEWZQHPTSJERFA-GFCCVEGCSA-N -1 1 351.472 2.415 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000194032300 328407964 /nfs/dbraw/zinc/40/79/64/328407964.db2.gz LPRYDHXCPWDXCS-UHFFFAOYSA-N -1 1 360.313 2.311 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCCOC2CCCCC2)n1 ZINC000195070759 328454675 /nfs/dbraw/zinc/45/46/75/328454675.db2.gz QSZMCNJKVVDDMJ-UHFFFAOYSA-N -1 1 353.488 2.280 20 0 FEADMM O=C(N[C@@H](CO)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000012031000 324372111 /nfs/dbraw/zinc/37/21/11/324372111.db2.gz YEZMPORLRDNMHR-CYBMUJFWSA-N -1 1 350.212 2.488 20 0 FEADMM O=C(C[C@H]1C=CCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021899124 324397870 /nfs/dbraw/zinc/39/78/70/324397870.db2.gz DPFMQXIHFZYLNP-ZDUSSCGKSA-N -1 1 350.440 2.472 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1OC ZINC000029432978 324447716 /nfs/dbraw/zinc/44/77/16/324447716.db2.gz DFVYVJXAZBRXDW-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1 ZINC000029834947 324451950 /nfs/dbraw/zinc/45/19/50/324451950.db2.gz YTTKAXUVQPQVNI-UHFFFAOYSA-N -1 1 373.390 2.049 20 0 FEADMM C[C@@H]1COCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033050090 324483025 /nfs/dbraw/zinc/48/30/25/324483025.db2.gz KIQYCNZMQXTMEA-CQSZACIVSA-N -1 1 360.435 2.348 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000043531824 324546789 /nfs/dbraw/zinc/54/67/89/324546789.db2.gz IWZQRVFEKXTIJJ-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000044895034 324567129 /nfs/dbraw/zinc/56/71/29/324567129.db2.gz OPGKBLCVOJTNQS-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)n1cncn1 ZINC000047119196 324626209 /nfs/dbraw/zinc/62/62/09/324626209.db2.gz LHVXBSQTESLSFD-ZDUSSCGKSA-N -1 1 371.422 2.279 20 0 FEADMM CO[C@H]1CC[C@@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000231805693 328487747 /nfs/dbraw/zinc/48/77/47/328487747.db2.gz ILXAZBSXBFPKSI-ZJUUUORDSA-N -1 1 361.179 2.294 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCCCC1 ZINC000055415522 324778822 /nfs/dbraw/zinc/77/88/22/324778822.db2.gz HKEHFINBXKIGMJ-UHFFFAOYSA-N -1 1 351.346 2.258 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1 ZINC000079845528 325106037 /nfs/dbraw/zinc/10/60/37/325106037.db2.gz IWUZNQTVYKEQES-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000553894674 674292966 /nfs/dbraw/zinc/29/29/66/674292966.db2.gz GDVOTQYTVRTVEK-QMMMGPOBSA-N -1 1 372.231 2.270 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1cc2ccccc2o1 ZINC000084936480 325246866 /nfs/dbraw/zinc/24/68/66/325246866.db2.gz PMUMGXDOOSTREL-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM CCCc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)n(C)n1 ZINC000089394108 325314776 /nfs/dbraw/zinc/31/47/76/325314776.db2.gz OHQGWQRQYODMJC-UHFFFAOYSA-N -1 1 350.444 2.387 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1COc2ccccc21 ZINC000091160107 325376257 /nfs/dbraw/zinc/37/62/57/325376257.db2.gz SUQKFZAIYVATNE-GFCCVEGCSA-N -1 1 350.371 2.312 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCOCC(F)(F)F ZINC000091161272 325376266 /nfs/dbraw/zinc/37/62/66/325376266.db2.gz SDGUUDONJZHFJZ-UHFFFAOYSA-N -1 1 358.313 2.105 20 0 FEADMM O=C(CN1CCC[C@@H](c2nncn2C2CC2)C1)[N-]OCc1ccccc1 ZINC000091631694 325389676 /nfs/dbraw/zinc/38/96/76/325389676.db2.gz TVQUKMSCVHCGFV-MRXNPFEDSA-N -1 1 355.442 2.040 20 0 FEADMM C[C@@H](CO)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000097374840 325461389 /nfs/dbraw/zinc/46/13/89/325461389.db2.gz YWXJVZIAOPYUOZ-VIFPVBQESA-N -1 1 350.321 2.033 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H]1CCOC1 ZINC000106840295 325612526 /nfs/dbraw/zinc/61/25/26/325612526.db2.gz HOYHSPUEISJXDD-MRXNPFEDSA-N -1 1 360.435 2.348 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)C1CCOCC1 ZINC000107508906 325629396 /nfs/dbraw/zinc/62/93/96/325629396.db2.gz YRJAIPJZILUVDQ-UHFFFAOYSA-N -1 1 366.845 2.193 20 0 FEADMM Cc1noc([C@H](C)N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000111621117 325727314 /nfs/dbraw/zinc/72/73/14/325727314.db2.gz OFQPLCXWHWRJKY-JTQLQIEISA-N -1 1 350.806 2.256 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C ZINC000114498292 325901655 /nfs/dbraw/zinc/90/16/55/325901655.db2.gz BXLXZUJVGSHPHS-NSHDSACASA-N -1 1 365.883 2.027 20 0 FEADMM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000116355999 326009440 /nfs/dbraw/zinc/00/94/40/326009440.db2.gz DWUQGRNNXTVCMR-VXGBXAGGSA-N -1 1 360.426 2.327 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000116607991 326026791 /nfs/dbraw/zinc/02/67/91/326026791.db2.gz HCYZIQFNOFAKQK-AWEZNQCLSA-N -1 1 369.389 2.418 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c2=O ZINC000119169433 326134023 /nfs/dbraw/zinc/13/40/23/326134023.db2.gz SIXGCBODYYQVJS-JKSUJKDBSA-N -1 1 370.384 2.463 20 0 FEADMM CC(C)[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1nc(C2CC2)no1 ZINC000119213497 326138563 /nfs/dbraw/zinc/13/85/63/326138563.db2.gz GQEATJZNIJLZIA-GFCCVEGCSA-N -1 1 356.386 2.061 20 0 FEADMM CCc1cc(=O)c2cc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)ccc2[nH]1 ZINC000119489277 326168149 /nfs/dbraw/zinc/16/81/49/326168149.db2.gz WEFVCVOBSFGZBG-UHFFFAOYSA-N -1 1 363.377 2.330 20 0 FEADMM CCC(=O)N1CC[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000119605913 326180062 /nfs/dbraw/zinc/18/00/62/326180062.db2.gz VVXMBEWXVXZAIW-INIZCTEOSA-N -1 1 358.438 2.072 20 0 FEADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000120325088 326249458 /nfs/dbraw/zinc/24/94/58/326249458.db2.gz CQALRJBAFNQAHG-NSHDSACASA-N -1 1 366.414 2.273 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCO)cc2)c1 ZINC000120365590 326252994 /nfs/dbraw/zinc/25/29/94/326252994.db2.gz FSWQXYSGCOJZEU-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(Cn2ccnn2)CC1 ZINC000120468891 326261111 /nfs/dbraw/zinc/26/11/11/326261111.db2.gz WQGNXBNLOVSGGT-UHFFFAOYSA-N -1 1 365.231 2.299 20 0 FEADMM CCOc1ccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1Cl ZINC000120533369 326266449 /nfs/dbraw/zinc/26/64/49/326266449.db2.gz JZRKXDCIZAHUIE-UHFFFAOYSA-N -1 1 358.803 2.492 20 0 FEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000120590084 326270803 /nfs/dbraw/zinc/27/08/03/326270803.db2.gz PQJRRMFNEJFVDD-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)O)cc2)c1 ZINC000120636391 326274860 /nfs/dbraw/zinc/27/48/60/326274860.db2.gz SVKCZFBHBHXVCV-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM CCCN(CCO)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000120889004 326296605 /nfs/dbraw/zinc/29/66/05/326296605.db2.gz ILFFZQOQZVWOBP-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)cc2[nH]1 ZINC000121113441 326314634 /nfs/dbraw/zinc/31/46/34/326314634.db2.gz OXHVOIBOZHTAEA-UHFFFAOYSA-N -1 1 355.379 2.047 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1CN1CCOCC1 ZINC000121632788 326353482 /nfs/dbraw/zinc/35/34/82/326353482.db2.gz DXTISPSMSRNONR-ZDUSSCGKSA-N -1 1 369.259 2.092 20 0 FEADMM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000124941369 326462676 /nfs/dbraw/zinc/46/26/76/326462676.db2.gz DSQIHMOFDHRTGI-UHFFFAOYSA-N -1 1 356.407 2.218 20 0 FEADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000125303392 326469174 /nfs/dbraw/zinc/46/91/74/326469174.db2.gz MJNOIKALKUPHHJ-LLVKDONJSA-N -1 1 351.371 2.486 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2OC)co1 ZINC000129785669 326546358 /nfs/dbraw/zinc/54/63/58/326546358.db2.gz ASNNPTNYMXDNNL-CQSZACIVSA-N -1 1 364.423 2.174 20 0 FEADMM COC[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000130324596 326554896 /nfs/dbraw/zinc/55/48/96/326554896.db2.gz LMZPVLLCRDBZAW-QMMMGPOBSA-N -1 1 361.769 2.035 20 0 FEADMM Cc1ocnc1CNC(=O)c1cc(I)ccc1[O-] ZINC000134440129 326625700 /nfs/dbraw/zinc/62/57/00/326625700.db2.gz LOJPDJINNLHZCE-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)CCC1CCOCC1 ZINC000137042296 326657584 /nfs/dbraw/zinc/65/75/84/326657584.db2.gz FNDRBVKVHNBEMH-UHFFFAOYSA-N -1 1 360.458 2.259 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(=O)[n-]1 ZINC000152732698 326715188 /nfs/dbraw/zinc/71/51/88/326715188.db2.gz QJZAGFHQXNVURO-BQFCYCMXSA-N -1 1 369.490 2.435 20 0 FEADMM CCC(CC)c1cc(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)on1 ZINC000153544279 326735550 /nfs/dbraw/zinc/73/55/50/326735550.db2.gz HCZANCRTGIARES-UHFFFAOYSA-N -1 1 355.416 2.009 20 0 FEADMM CC[C@H](CNC(=O)c1coc(S(=O)(=O)[N-]C)c1)Oc1cccc(C)c1 ZINC000155246275 326782310 /nfs/dbraw/zinc/78/23/10/326782310.db2.gz RLAWIVBDRXSMQL-CQSZACIVSA-N -1 1 366.439 2.084 20 0 FEADMM Cc1sc(=O)n(CCC(=O)Nc2nc(Br)ccc2[O-])c1C ZINC000156394393 326829513 /nfs/dbraw/zinc/82/95/13/326829513.db2.gz BRPJSJURASPVGS-UHFFFAOYSA-N -1 1 372.244 2.419 20 0 FEADMM COCCCOc1cccc(C[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000156581653 326836830 /nfs/dbraw/zinc/83/68/30/326836830.db2.gz ZIYDXYQCBSVDQM-UHFFFAOYSA-N -1 1 354.428 2.185 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)co1 ZINC000161583696 327003705 /nfs/dbraw/zinc/00/37/05/327003705.db2.gz CHQWXSLVZYGYDL-UHFFFAOYSA-N -1 1 362.451 2.382 20 0 FEADMM Cc1ccc2cc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)ccc2n1 ZINC000162300698 327021737 /nfs/dbraw/zinc/02/17/37/327021737.db2.gz BKLNWXRZPJGGSY-UHFFFAOYSA-N -1 1 361.405 2.426 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000164807944 327074549 /nfs/dbraw/zinc/07/45/49/327074549.db2.gz SXTQBDOSYBZPQG-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000164889053 327075345 /nfs/dbraw/zinc/07/53/45/327075345.db2.gz AMNHFZJEPPAMDB-GFCCVEGCSA-N -1 1 357.410 2.117 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c1Cl ZINC000171041617 327114169 /nfs/dbraw/zinc/11/41/69/327114169.db2.gz CJCQGCZLPOMUEG-OLZOCXBDSA-N -1 1 355.847 2.272 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)cc21 ZINC000172275035 327192181 /nfs/dbraw/zinc/19/21/81/327192181.db2.gz BOMXLXKBMKBJEN-UHFFFAOYSA-N -1 1 368.361 2.375 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000174024651 327302470 /nfs/dbraw/zinc/30/24/70/327302470.db2.gz AFBQHHHRPWEREL-MPBGBICISA-N -1 1 350.422 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COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000477383913 561143586 /nfs/dbraw/zinc/14/35/86/561143586.db2.gz RMSUJSBNGITCAC-NWDGAFQWSA-N -1 1 363.414 2.041 20 0 FEADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1(C)C ZINC000157297090 545724840 /nfs/dbraw/zinc/72/48/40/545724840.db2.gz JECQTMLPSGIZJZ-NWDGAFQWSA-N -1 1 356.419 2.387 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000477619003 561149575 /nfs/dbraw/zinc/14/95/75/561149575.db2.gz QUJQZNAGOYFRGH-ZIAGYGMSSA-N -1 1 357.410 2.428 20 0 FEADMM COc1ccc(C(=O)CCCCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000478088970 561159815 /nfs/dbraw/zinc/15/98/15/561159815.db2.gz MSWXZNZAZLNVSU-CYBMUJFWSA-N -1 1 359.430 2.214 20 0 FEADMM CC(C)(C)CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000478591786 561170434 /nfs/dbraw/zinc/17/04/34/561170434.db2.gz YPFYGMWTMOVKLW-LBPRGKRZSA-N -1 1 374.503 2.273 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC)o1 ZINC000479174562 561183407 /nfs/dbraw/zinc/18/34/07/561183407.db2.gz FOLSVWJFIARAKG-UHFFFAOYSA-N -1 1 353.396 2.334 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)o1 ZINC000479175642 561183498 /nfs/dbraw/zinc/18/34/98/561183498.db2.gz RRQDEGAAXDIAAF-SNVBAGLBSA-N -1 1 367.379 2.225 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ccc(OC)cc2)o1 ZINC000479177176 561183540 /nfs/dbraw/zinc/18/35/40/561183540.db2.gz AHLOPUBZXLDZTA-UHFFFAOYSA-N -1 1 367.423 2.376 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)o1 ZINC000479192376 561183988 /nfs/dbraw/zinc/18/39/88/561183988.db2.gz VEJDKDATQIINFD-OLZOCXBDSA-N -1 1 359.444 2.330 20 0 FEADMM CC(C)CNC(=O)c1cccc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)c1 ZINC000171334138 546203790 /nfs/dbraw/zinc/20/37/90/546203790.db2.gz ZDPUEFWDFKEJSB-UHFFFAOYSA-N -1 1 362.455 2.042 20 0 FEADMM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000172366524 546249599 /nfs/dbraw/zinc/24/95/99/546249599.db2.gz XKDPCIPYEPMSKX-MRXNPFEDSA-N -1 1 352.456 2.280 20 0 FEADMM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1ccc(F)c(F)c1F ZINC000480427048 561209098 /nfs/dbraw/zinc/20/90/98/561209098.db2.gz LGSOYRAUNQKYCS-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000176630721 546470491 /nfs/dbraw/zinc/47/04/91/546470491.db2.gz MYARGYCGCWJFOO-ZETCQYMHSA-N -1 1 351.329 2.265 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2)c1nn[n-]n1 ZINC000176751548 546483402 /nfs/dbraw/zinc/48/34/02/546483402.db2.gz JCKCPWPERCFMJG-HNNXBMFYSA-N -1 1 365.441 2.454 20 0 FEADMM CCC[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1nn[n-]n1 ZINC000176751308 546483506 /nfs/dbraw/zinc/48/35/06/546483506.db2.gz HACGLABHUKIXFZ-GFCCVEGCSA-N -1 1 360.805 2.438 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000480702458 561214785 /nfs/dbraw/zinc/21/47/85/561214785.db2.gz WHPPTILZRWARIF-UHFFFAOYSA-N -1 1 372.406 2.337 20 0 FEADMM COc1cc(NC(=O)Cc2ccc3c[nH]nc3c2)ccc1[N-]S(C)(=O)=O ZINC000480940109 561220743 /nfs/dbraw/zinc/22/07/43/561220743.db2.gz JZOZYVSHDVLLTF-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)c1 ZINC000177686650 546668015 /nfs/dbraw/zinc/66/80/15/546668015.db2.gz ADGZYYUEOWFYSP-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000481587213 561236669 /nfs/dbraw/zinc/23/66/69/561236669.db2.gz KCURDYMXNPKOBD-RKDXNWHRSA-N -1 1 372.245 2.056 20 0 FEADMM O=C([O-])[C@H]1CCN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000178901903 546871213 /nfs/dbraw/zinc/87/12/13/546871213.db2.gz ABDNRUXSFSZXHH-GUYCJALGSA-N -1 1 362.426 2.499 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c2cccnc12 ZINC000481863458 561244220 /nfs/dbraw/zinc/24/42/20/561244220.db2.gz XTSRNGRPKHSTCG-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179484344 546963120 /nfs/dbraw/zinc/96/31/20/546963120.db2.gz MPRXVPSHGKQLDU-AWEZNQCLSA-N -1 1 354.414 2.002 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)c2=O ZINC000179526825 546971128 /nfs/dbraw/zinc/97/11/28/546971128.db2.gz GMZKZJBLOFXTDH-YOEHRIQHSA-N -1 1 366.421 2.402 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(Cc3ccccc3)CCC2)c1 ZINC000179538892 546973447 /nfs/dbraw/zinc/97/34/47/546973447.db2.gz XPOIWRGFLAOPAZ-UHFFFAOYSA-N -1 1 360.435 2.391 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000181087849 547247140 /nfs/dbraw/zinc/24/71/40/547247140.db2.gz YAXPSJOZFKWXLK-OAHLLOKOSA-N -1 1 368.361 2.279 20 0 FEADMM Cc1c(C[S@](C)=O)cccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000182024033 547424300 /nfs/dbraw/zinc/42/43/00/547424300.db2.gz CSUYOYYDJHKJHS-VWLOTQADSA-N -1 1 358.423 2.113 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(Cc3ccccc3)CCCC2)co1 ZINC000182970600 547581285 /nfs/dbraw/zinc/58/12/85/547581285.db2.gz ZNUYSMYIUFKZKN-UHFFFAOYSA-N -1 1 362.451 2.473 20 0 FEADMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cnn(CC(F)F)c1)C(=O)C2 ZINC000183349978 547643224 /nfs/dbraw/zinc/64/32/24/547643224.db2.gz KBHBIOKZIMOUMS-MEBBXXQBSA-N -1 1 361.414 2.285 20 0 FEADMM Cc1nc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1-c1ccccc1C(C)C ZINC000183405733 547652039 /nfs/dbraw/zinc/65/20/39/547652039.db2.gz WXZLSIWJJRVJTK-LBPRGKRZSA-N -1 1 368.445 2.088 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1ccccc1Br)c1nn[n-]n1 ZINC000183412388 547654670 /nfs/dbraw/zinc/65/46/70/547654670.db2.gz FHMCWVPBMWGPFP-JTQLQIEISA-N -1 1 352.236 2.157 20 0 FEADMM C[C@@H](CN(C)C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC000183425284 547656502 /nfs/dbraw/zinc/65/65/02/547656502.db2.gz JFYXCNMOMUONGF-ZDUSSCGKSA-N -1 1 355.442 2.304 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000484491538 561298570 /nfs/dbraw/zinc/29/85/70/561298570.db2.gz RLYSRCQSONRORF-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(C)C ZINC000484788554 561306085 /nfs/dbraw/zinc/30/60/85/561306085.db2.gz QPSXWVZENQVGID-OLZOCXBDSA-N -1 1 359.444 2.328 20 0 FEADMM COCc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cnn1-c1ccccc1 ZINC000184528557 547841073 /nfs/dbraw/zinc/84/10/73/547841073.db2.gz VNKQWVFDGSJMSR-UHFFFAOYSA-N -1 1 366.303 2.408 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(C(F)F)cc1 ZINC000184609489 547853472 /nfs/dbraw/zinc/85/34/72/547853472.db2.gz ONVIOXVWCWTOIB-UHFFFAOYSA-N -1 1 360.364 2.436 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000184859577 547888105 /nfs/dbraw/zinc/88/81/05/547888105.db2.gz QJZOXWVHUWLJKJ-UHFFFAOYSA-N -1 1 365.842 2.319 20 0 FEADMM CC(C)CN1CCO[C@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000185444405 547986175 /nfs/dbraw/zinc/98/61/75/547986175.db2.gz PWBVCLJIRMTCLJ-GFCCVEGCSA-N -1 1 364.870 2.114 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2ccoc2Br)s1 ZINC000485489934 561320333 /nfs/dbraw/zinc/32/03/33/561320333.db2.gz KEBJVXGXMNZWDA-UHFFFAOYSA-N -1 1 360.189 2.252 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC2(CCC2)c2c1cccc2F ZINC000486015138 561335394 /nfs/dbraw/zinc/33/53/94/561335394.db2.gz JLVSKCUOCBYMEL-UHFFFAOYSA-N -1 1 355.369 2.125 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000486490409 561348760 /nfs/dbraw/zinc/34/87/60/561348760.db2.gz SUHIILDELRCNPG-UHFFFAOYSA-N -1 1 363.377 2.236 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c1C ZINC000486550941 561350583 /nfs/dbraw/zinc/35/05/83/561350583.db2.gz WWBBEFRVDRFZJP-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2)n1 ZINC000194144987 548440774 /nfs/dbraw/zinc/44/07/74/548440774.db2.gz WXBJZOMVPFQASU-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nc(C)cs3)n2)cc1 ZINC000195121266 548581239 /nfs/dbraw/zinc/58/12/39/548581239.db2.gz UTLGFTLUALLSHT-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3nc(C)cs3)n[n-]2)cc1 ZINC000195121266 548581243 /nfs/dbraw/zinc/58/12/43/548581243.db2.gz UTLGFTLUALLSHT-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM CN(Cc1ncon1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487212058 561366192 /nfs/dbraw/zinc/36/61/92/561366192.db2.gz RSVFOKQOZQYEPE-UHFFFAOYSA-N -1 1 363.171 2.358 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)sc1Br ZINC000228543947 548754632 /nfs/dbraw/zinc/75/46/32/548754632.db2.gz ONPVLFJBCPZFNI-RXMQYKEDSA-N -1 1 368.196 2.021 20 0 FEADMM O=C(NCC[C@H]1CCCO1)c1ccc(I)c([O-])c1 ZINC000230887602 548760908 /nfs/dbraw/zinc/76/09/08/548760908.db2.gz CCFWERBUBBTMIO-SNVBAGLBSA-N -1 1 361.179 2.296 20 0 FEADMM Cn1cccc1CNC(=O)c1cc(I)ccc1[O-] ZINC000231694592 548763109 /nfs/dbraw/zinc/76/31/09/548763109.db2.gz PAGKSTVPNIOMOE-UHFFFAOYSA-N -1 1 356.163 2.265 20 0 FEADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000244113837 548889817 /nfs/dbraw/zinc/88/98/17/548889817.db2.gz UJEPTLXUFYDCQT-UHFFFAOYSA-N -1 1 362.407 2.241 20 0 FEADMM CC(=O)CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000489507363 561413127 /nfs/dbraw/zinc/41/31/27/561413127.db2.gz DBSNIBMQBVGDCQ-UHFFFAOYSA-N -1 1 368.455 2.167 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H]1CCC[C@H]1C ZINC000489779753 561418948 /nfs/dbraw/zinc/41/89/48/561418948.db2.gz HMYDJPGZHAIHHP-MLGOLLRUSA-N -1 1 360.458 2.258 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c(=O)[n-]1 ZINC000253553330 549695061 /nfs/dbraw/zinc/69/50/61/549695061.db2.gz ZPYAQHATWGWNKJ-BFHYXJOUSA-N -1 1 351.472 2.219 20 0 FEADMM C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(N)=O ZINC000490074291 561425806 /nfs/dbraw/zinc/42/58/06/561425806.db2.gz UBNIWSSKBJELJC-YGRLFVJLSA-N -1 1 370.833 2.415 20 0 FEADMM C[C@H](NC(=O)CN1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000261673891 549741260 /nfs/dbraw/zinc/74/12/60/549741260.db2.gz LSFSDMAPHOSZGN-NSHDSACASA-N -1 1 369.259 2.423 20 0 FEADMM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000261984571 549776888 /nfs/dbraw/zinc/77/68/88/549776888.db2.gz CGWQGUBQBKCIEA-CABCVRRESA-N -1 1 354.410 2.289 20 0 FEADMM O=C(C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)NCCCOC1CCCCC1 ZINC000262128215 549791216 /nfs/dbraw/zinc/79/12/16/549791216.db2.gz KISRIIZZZQVOME-HNAYVOBHSA-N -1 1 352.475 2.029 20 0 FEADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n[nH]1 ZINC000490263332 561429883 /nfs/dbraw/zinc/42/98/83/561429883.db2.gz SYEYQLQBHDCOGW-UWVGGRQHSA-N -1 1 366.443 2.455 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000490301545 561430545 /nfs/dbraw/zinc/43/05/45/561430545.db2.gz QDNQEOUEYYKRCH-QGZVFWFLSA-N -1 1 367.515 2.251 20 0 FEADMM O=S(=O)(NC[C@H]1NCCc2ccccc21)c1cnccc1C(F)(F)F ZINC000262392281 549816681 /nfs/dbraw/zinc/81/66/81/549816681.db2.gz YXOKPOPLFYYSSU-CQSZACIVSA-N -1 1 371.384 2.266 20 0 FEADMM CCC[C@H](NC(=O)CCOc1ccc(CCC(C)=O)cc1)c1nn[n-]n1 ZINC000268237577 550037774 /nfs/dbraw/zinc/03/77/74/550037774.db2.gz UHHIKLPFIMPLRH-INIZCTEOSA-N -1 1 359.430 2.148 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1 ZINC000268420910 550062956 /nfs/dbraw/zinc/06/29/56/550062956.db2.gz QGYTZQCOCVAFCT-UHFFFAOYSA-N -1 1 353.400 2.129 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H](CCO)CC(C)C ZINC000268482493 550073722 /nfs/dbraw/zinc/07/37/22/550073722.db2.gz JOKWKJMBLFYZBR-HNNXBMFYSA-N -1 1 372.469 2.256 20 0 FEADMM CC1(C)C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])c2ccc(F)cc2O1 ZINC000493839589 561458486 /nfs/dbraw/zinc/45/84/86/561458486.db2.gz ZUUJYEIIRWAMCM-CYBMUJFWSA-N -1 1 373.384 2.075 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc(C(=O)[O-])c1Cl ZINC000273759162 550510512 /nfs/dbraw/zinc/51/05/12/550510512.db2.gz QMLRLQQAGZVKFI-HZMBPMFUSA-N -1 1 372.874 2.108 20 0 FEADMM CCCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000274118753 550523916 /nfs/dbraw/zinc/52/39/16/550523916.db2.gz UYGXHUIKGGOQGS-UHFFFAOYSA-N -1 1 360.439 2.486 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000274141107 550524787 /nfs/dbraw/zinc/52/47/87/550524787.db2.gz BYVGSVSKEJKZSO-VIFPVBQESA-N -1 1 361.288 2.046 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)[n-]1 ZINC000274923898 550564935 /nfs/dbraw/zinc/56/49/35/550564935.db2.gz NJUSRPNJKHHKPW-SNVBAGLBSA-N -1 1 373.434 2.469 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC000274923898 550564937 /nfs/dbraw/zinc/56/49/37/550564937.db2.gz NJUSRPNJKHHKPW-SNVBAGLBSA-N -1 1 373.434 2.469 20 0 FEADMM C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000494722355 561475237 /nfs/dbraw/zinc/47/52/37/561475237.db2.gz ZERBXKPSVUXADK-UONOGXRCSA-N -1 1 362.451 2.234 20 0 FEADMM CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2csc(C(=O)OC)c2)n[nH]1 ZINC000276915056 550610650 /nfs/dbraw/zinc/61/06/50/550610650.db2.gz KKPFVFNSRHFLMB-RKDXNWHRSA-N -1 1 372.472 2.206 20 0 FEADMM CCOC(=O)CCC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000277814876 550717321 /nfs/dbraw/zinc/71/73/21/550717321.db2.gz XLWDUTDRGNOOTC-UHFFFAOYSA-N -1 1 354.428 2.069 20 0 FEADMM CCOc1cc(-c2noc(CCCCNC(N)=O)n2)cc(Cl)c1[O-] ZINC000277850525 550721418 /nfs/dbraw/zinc/72/14/18/550721418.db2.gz JJFCXGWTMNMPNE-UHFFFAOYSA-N -1 1 354.794 2.485 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)c3cccnc3)CC2)n1 ZINC000277873220 550724019 /nfs/dbraw/zinc/72/40/19/550724019.db2.gz VHTWTGLOMKJAGG-GFCCVEGCSA-N -1 1 372.429 2.027 20 0 FEADMM CCOCCS(=O)(=O)[N-]Cc1nc(C(C)(C)C2=CCCCC2)no1 ZINC000277903808 550727366 /nfs/dbraw/zinc/72/73/66/550727366.db2.gz BTAHOUAXVYSZJK-UHFFFAOYSA-N -1 1 357.476 2.304 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3nc(C)cs3)CC2)n1 ZINC000278025164 550740234 /nfs/dbraw/zinc/74/02/34/550740234.db2.gz WIWPFEMWINOQTA-UHFFFAOYSA-N -1 1 364.431 2.158 20 0 FEADMM O=S(=O)(CCCOCC(F)(F)F)c1nnc(-c2ccccc2F)[n-]1 ZINC000278159542 550755665 /nfs/dbraw/zinc/75/56/65/550755665.db2.gz IPOFLKSWRHSIIV-UHFFFAOYSA-N -1 1 367.324 2.354 20 0 FEADMM O=S(=O)(CCCOCC(F)(F)F)c1n[n-]c(-c2ccccc2F)n1 ZINC000278159542 550755667 /nfs/dbraw/zinc/75/56/67/550755667.db2.gz IPOFLKSWRHSIIV-UHFFFAOYSA-N -1 1 367.324 2.354 20 0 FEADMM C[C@H]1COCC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000278434010 550785646 /nfs/dbraw/zinc/78/56/46/550785646.db2.gz HAIBPZRNHOFZKI-GZMMTYOYSA-N -1 1 361.179 2.152 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)N(C(N)=O)CC4)ccc2O1 ZINC000278536745 550796473 /nfs/dbraw/zinc/79/64/73/550796473.db2.gz MFNRPADTGLATEF-NSHDSACASA-N -1 1 373.434 2.252 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)[n-]1 ZINC000278612376 550804047 /nfs/dbraw/zinc/80/40/47/550804047.db2.gz IWGYNEXCFXITEA-VIFPVBQESA-N -1 1 362.411 2.274 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000278612376 550804049 /nfs/dbraw/zinc/80/40/49/550804049.db2.gz IWGYNEXCFXITEA-VIFPVBQESA-N -1 1 362.411 2.274 20 0 FEADMM COC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000278681165 550810698 /nfs/dbraw/zinc/81/06/98/550810698.db2.gz IMJOFOPGMQTTCK-JGVFFNPUSA-N -1 1 353.227 2.008 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278891344 550833078 /nfs/dbraw/zinc/83/30/78/550833078.db2.gz HWOZDUAOVISOHG-LLVKDONJSA-N -1 1 371.821 2.468 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000279764748 550926701 /nfs/dbraw/zinc/92/67/01/550926701.db2.gz MHVVYPZMECXLNK-MRXNPFEDSA-N -1 1 370.453 2.369 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C3CCOCC3)n[nH]1)OCO2 ZINC000280353813 550983957 /nfs/dbraw/zinc/98/39/57/550983957.db2.gz SOMJDIBKSKQXOX-UHFFFAOYSA-N -1 1 365.411 2.142 20 0 FEADMM O=S(=O)([N-]Cc1nnc2n1CCC2)c1c(Cl)cc(F)cc1Cl ZINC000280529717 551004481 /nfs/dbraw/zinc/00/44/81/551004481.db2.gz GSAIGWFDGMMTAS-UHFFFAOYSA-N -1 1 365.217 2.149 20 0 FEADMM Cc1nc2sc3c(c2c(N2CCC(c4nc(=O)[n-][nH]4)CC2)n1)CCC3 ZINC000281049017 551058213 /nfs/dbraw/zinc/05/82/13/551058213.db2.gz WUPAPMXRLZJWIX-UHFFFAOYSA-N -1 1 356.455 2.284 20 0 FEADMM O=C(C[C@H]1COCCN1C(=O)c1c(F)ccc([O-])c1F)c1ccco1 ZINC000281329568 551085465 /nfs/dbraw/zinc/08/54/65/551085465.db2.gz UCEXLYSUSTZMNI-JTQLQIEISA-N -1 1 351.305 2.377 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000281417326 551094723 /nfs/dbraw/zinc/09/47/23/551094723.db2.gz NDXJYDCSIWZKCR-KOMQPUFPSA-N -1 1 368.412 2.383 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)co1 ZINC000497117894 561497423 /nfs/dbraw/zinc/49/74/23/561497423.db2.gz WTBRLXYVTZHGLM-LBPRGKRZSA-N -1 1 368.842 2.471 20 0 FEADMM c1ccc(Cn2c(SCc3nn[n-]n3)nnc2-c2cccnc2)cc1 ZINC000497354719 561499119 /nfs/dbraw/zinc/49/91/19/561499119.db2.gz LJXKQKWPOOMLSW-UHFFFAOYSA-N -1 1 350.411 2.194 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c1 ZINC000282724935 551263854 /nfs/dbraw/zinc/26/38/54/551263854.db2.gz HMHAMPYLTDOYOG-AWEZNQCLSA-N -1 1 372.377 2.405 20 0 FEADMM Cc1ccc(C2(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CCOCC2)cc1 ZINC000282999357 551295613 /nfs/dbraw/zinc/29/56/13/551295613.db2.gz CVEJRDBCQQZHBJ-QJOMJCCJSA-N -1 1 350.422 2.337 20 0 FEADMM O=C(c1ccc(SC(F)F)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283018779 551298553 /nfs/dbraw/zinc/29/85/53/551298553.db2.gz XHBODFTWDMCKQT-JTQLQIEISA-N -1 1 354.382 2.433 20 0 FEADMM COc1ccccc1-c1nc([N-]C(=O)c2cnc(C3OCCO3)s2)n[nH]1 ZINC000283658737 551404577 /nfs/dbraw/zinc/40/45/77/551404577.db2.gz DGQNQLNVSMNNBH-UHFFFAOYSA-N -1 1 373.394 2.235 20 0 FEADMM CCS(=O)(=O)c1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000283924666 551451125 /nfs/dbraw/zinc/45/11/25/551451125.db2.gz LGNIXBVBQRHBQV-SNVBAGLBSA-N -1 1 372.468 2.125 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000284726792 551618242 /nfs/dbraw/zinc/61/82/42/551618242.db2.gz RUANDYOEUINDKZ-UHFFFAOYSA-N -1 1 351.215 2.293 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000285014895 551690162 /nfs/dbraw/zinc/69/01/62/551690162.db2.gz BPNGCWCIJCRKRB-UHFFFAOYSA-N -1 1 368.499 2.498 20 0 FEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000285149301 551711471 /nfs/dbraw/zinc/71/14/71/551711471.db2.gz RJPUCABPBAZQLF-UHFFFAOYSA-N -1 1 373.324 2.051 20 0 FEADMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1cnc(-c2ccccc2)nc1 ZINC000285162651 551713303 /nfs/dbraw/zinc/71/33/03/551713303.db2.gz SLMIYKRGQNIEQC-UHFFFAOYSA-N -1 1 356.411 2.330 20 0 FEADMM CCOc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccoc1 ZINC000285246604 551726163 /nfs/dbraw/zinc/72/61/63/551726163.db2.gz ZYHSYMXNLBCPOL-UHFFFAOYSA-N -1 1 365.455 2.231 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000285561026 551775011 /nfs/dbraw/zinc/77/50/11/551775011.db2.gz TWGJVRZESBOUGW-UHFFFAOYSA-N -1 1 358.460 2.091 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000285676289 551793553 /nfs/dbraw/zinc/79/35/53/551793553.db2.gz ZNIOAVLXWDYVLD-UHFFFAOYSA-N -1 1 358.435 2.020 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285863455 551820451 /nfs/dbraw/zinc/82/04/51/551820451.db2.gz QFDYNJZSAFZZCX-CVEARBPZSA-N -1 1 358.442 2.154 20 0 FEADMM Cc1noc([C@@H]2CCCN2C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000286465367 551888782 /nfs/dbraw/zinc/88/87/82/551888782.db2.gz GOXGKVMIPWHAMC-AWEZNQCLSA-N -1 1 370.413 2.039 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(CCO)CCCCC1 ZINC000499020702 561541254 /nfs/dbraw/zinc/54/12/54/561541254.db2.gz BDVHHDXGWOQBLV-UHFFFAOYSA-N -1 1 370.453 2.297 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000286653811 551911228 /nfs/dbraw/zinc/91/12/28/551911228.db2.gz DULUVDPAEIFGFN-GXTWGEPZSA-N -1 1 368.861 2.380 20 0 FEADMM COC(=O)CCCOc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000287453129 552006154 /nfs/dbraw/zinc/00/61/54/552006154.db2.gz MSCFOQKZLPMVSL-UHFFFAOYSA-N -1 1 371.389 2.223 20 0 FEADMM COc1cccc(N2CC[C@H](CNC(=O)C(=O)c3ccc([O-])cc3)C2)c1 ZINC000287460444 552006849 /nfs/dbraw/zinc/00/68/49/552006849.db2.gz BQFVGQZDURMVFD-CQSZACIVSA-N -1 1 354.406 2.226 20 0 FEADMM C[C@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)COCc1ccccc1 ZINC000287691414 552034886 /nfs/dbraw/zinc/03/48/86/552034886.db2.gz RETVHKKNMWOMMS-RYPAHKROSA-N -1 1 353.426 2.316 20 0 FEADMM Cc1ccccc1[C@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(C)C ZINC000287717669 552037634 /nfs/dbraw/zinc/03/76/34/552037634.db2.gz RJCOUQOODWQZPU-CXJVOSNZSA-N -1 1 365.437 2.102 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3ccnc(OC4CCCC4)c3)ccnc1-2 ZINC000287721770 552038422 /nfs/dbraw/zinc/03/84/22/552038422.db2.gz SPLYUHLOPDPWGG-JLPGSUDCSA-N -1 1 366.425 2.380 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000288256254 552120244 /nfs/dbraw/zinc/12/02/44/552120244.db2.gz LLGBZGJKXPDSNY-LLVKDONJSA-N -1 1 367.243 2.239 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000288421019 552150617 /nfs/dbraw/zinc/15/06/17/552150617.db2.gz GXNZQVUFVQEURA-GXTWGEPZSA-N -1 1 362.426 2.337 20 0 FEADMM O=C(N[C@@H](CO)c1cccc(Cl)c1F)c1nc2ccccc2c(=O)[n-]1 ZINC000500088674 561565611 /nfs/dbraw/zinc/56/56/11/561565611.db2.gz FKMUNACJGAXKBI-ZDUSSCGKSA-N -1 1 361.760 2.179 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCOC1 ZINC000500097440 561565852 /nfs/dbraw/zinc/56/58/52/561565852.db2.gz JOVXWYAJHKPGKQ-GFCCVEGCSA-N -1 1 370.215 2.432 20 0 FEADMM CCC1CCC(N(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C2CC2)CC1 ZINC000289333676 552303135 /nfs/dbraw/zinc/30/31/35/552303135.db2.gz YPLINROYSIVMEZ-QJOMJCCJSA-N -1 1 369.469 2.240 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000289456459 552324721 /nfs/dbraw/zinc/32/47/21/552324721.db2.gz FPKKBCCKVUEGBV-MNOVXSKESA-N -1 1 359.398 2.382 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)cnc1Cl)OC ZINC000289478842 552327952 /nfs/dbraw/zinc/32/79/52/552327952.db2.gz IQMJJYTUIRUPHY-QMMMGPOBSA-N -1 1 357.657 2.201 20 0 FEADMM Cc1ncc(CN2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)s1 ZINC000289644548 552355306 /nfs/dbraw/zinc/35/53/06/552355306.db2.gz XULHAMOCDUVMAX-UHFFFAOYSA-N -1 1 353.394 2.393 20 0 FEADMM C[C@@H]1C[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289714091 552366421 /nfs/dbraw/zinc/36/64/21/552366421.db2.gz CLXWIVKVLLJPSL-RKDXNWHRSA-N -1 1 351.255 2.044 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](CO)CC1CCCC1 ZINC000500532490 561576071 /nfs/dbraw/zinc/57/60/71/561576071.db2.gz MPFYJKXZKGTAEV-INIZCTEOSA-N -1 1 374.485 2.289 20 0 FEADMM O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289798026 552380143 /nfs/dbraw/zinc/38/01/43/552380143.db2.gz YFSBVBAMCALFCH-AWEZNQCLSA-N -1 1 365.393 2.305 20 0 FEADMM C[C@H]1CCN(C(=O)c2cnn(C)c2C2CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290059791 552421702 /nfs/dbraw/zinc/42/17/02/552421702.db2.gz AXVGZHHSTIRZOZ-KWBADKCTSA-N -1 1 372.391 2.215 20 0 FEADMM CC(C)(C)c1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)[nH]n1 ZINC000290276786 552452930 /nfs/dbraw/zinc/45/29/30/552452930.db2.gz CSMBKEKJDMSSEN-JTQLQIEISA-N -1 1 360.380 2.238 20 0 FEADMM CC(=O)Nc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290315909 552458921 /nfs/dbraw/zinc/45/89/21/552458921.db2.gz HTNMHTNVSQRVLQ-GFCCVEGCSA-N -1 1 371.359 2.176 20 0 FEADMM CC(C)n1ccc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC000290364679 552467650 /nfs/dbraw/zinc/46/76/50/552467650.db2.gz GTQVIRFBWFPHRF-GVXVVHGQSA-N -1 1 360.380 2.382 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000290869203 552552822 /nfs/dbraw/zinc/55/28/22/552552822.db2.gz XYJPEWPUSQCLJW-UHFFFAOYSA-N -1 1 359.835 2.234 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)sc2nccn12 ZINC000291254622 552606832 /nfs/dbraw/zinc/60/68/32/552606832.db2.gz YGZLQLQXLQZBKU-SNVBAGLBSA-N -1 1 374.388 2.235 20 0 FEADMM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000291663536 552648558 /nfs/dbraw/zinc/64/85/58/552648558.db2.gz LBEUOSWUPDGRGS-UHFFFAOYSA-N -1 1 350.444 2.210 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c(C)cc1F ZINC000291808123 552663871 /nfs/dbraw/zinc/66/38/71/552663871.db2.gz CEWOQYYUWNBPHM-UHFFFAOYSA-N -1 1 353.375 2.322 20 0 FEADMM CN(CC(F)(F)Br)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000291942619 552677177 /nfs/dbraw/zinc/67/71/77/552677177.db2.gz NIOLWNNPHUZNQK-UHFFFAOYSA-N -1 1 351.176 2.078 20 0 FEADMM CCc1nc(C)c(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 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/nfs/dbraw/zinc/78/32/86/561783286.db2.gz YHIIVYIDPMARCW-UHFFFAOYSA-N -1 1 351.453 2.378 20 0 FEADMM C[C@@H]1[C@H](C)N(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)CCN1C ZINC000331659298 554303467 /nfs/dbraw/zinc/30/34/67/554303467.db2.gz MGODTTRCCUWQIJ-NEPJUHHUSA-N -1 1 363.462 2.824 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](O)C[C@@H]3C)c2)c1 ZINC000331696334 554309936 /nfs/dbraw/zinc/30/99/36/554309936.db2.gz VQVNCODNQRHEOU-YOEHRIQHSA-N -1 1 374.462 2.391 20 0 FEADMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000509279357 561793560 /nfs/dbraw/zinc/79/35/60/561793560.db2.gz MPSCYIOAZGHXOJ-DZGCQCFKSA-N -1 1 373.409 2.302 20 0 FEADMM CC[C@@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000331905923 554343992 /nfs/dbraw/zinc/34/39/92/554343992.db2.gz XBPSKPLFWYXZAD-DZGCQCFKSA-N -1 1 362.474 2.049 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000331990332 554359088 /nfs/dbraw/zinc/35/90/88/554359088.db2.gz UUAMBWLQFHPTBI-LBPRGKRZSA-N -1 1 373.381 2.523 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000331990332 554359089 /nfs/dbraw/zinc/35/90/89/554359089.db2.gz UUAMBWLQFHPTBI-LBPRGKRZSA-N -1 1 373.381 2.523 20 0 FEADMM COC(=O)[C@H](CN=c1nc([C@@H](C)OC)[n-]s1)Cc1ccccc1OC ZINC000509568319 561805499 /nfs/dbraw/zinc/80/54/99/561805499.db2.gz JMMQLMWSAVAADW-YPMHNXCESA-N -1 1 365.455 2.120 20 0 FEADMM COc1cc(C(=O)N2CCN(C(=O)c3ncc(C)cc3[O-])CC2)ccc1C ZINC000332146981 554390043 /nfs/dbraw/zinc/39/00/43/554390043.db2.gz UENJKIIQEJFQHU-UHFFFAOYSA-N -1 1 369.421 2.011 20 0 FEADMM CO[C@@H](C)c1cccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000332328731 554425988 /nfs/dbraw/zinc/42/59/88/554425988.db2.gz RZBOIKVDQHFGFX-NSHDSACASA-N -1 1 362.459 2.182 20 0 FEADMM COc1cccc(Cl)c1CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332356311 554431544 /nfs/dbraw/zinc/43/15/44/554431544.db2.gz BUSSJBROJRHDSW-SNVBAGLBSA-N -1 1 351.790 2.386 20 0 FEADMM Cn1c2ccccc2n(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1=O ZINC000510063677 561823778 /nfs/dbraw/zinc/82/37/78/561823778.db2.gz RFSLAHOQULMGBO-UHFFFAOYSA-N -1 1 363.377 2.074 20 0 FEADMM CC[C@]([N-]S(=O)(=O)c1ccccc1OC)(C(=O)OC)c1ccccc1 ZINC000510557766 561838898 /nfs/dbraw/zinc/83/88/98/561838898.db2.gz GGLWJTXOLAZFKP-GOSISDBHSA-N -1 1 363.435 2.452 20 0 FEADMM O=C(NCCc1ccn(-c2ccccc2)n1)c1nc2ccccc2c(=O)[n-]1 ZINC000510632570 561841527 /nfs/dbraw/zinc/84/15/27/561841527.db2.gz BXJOKBHVLOWNRK-UHFFFAOYSA-N -1 1 359.389 2.081 20 0 FEADMM O=C(N=c1cc(-c2ccccc2F)o[n-]1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000333451061 554614543 /nfs/dbraw/zinc/61/45/43/554614543.db2.gz NQMLGFYZCNNFKO-SWLSCSKDSA-N -1 1 372.400 3.003 20 0 FEADMM C[C@H](N=c1ccc(N2CCOC3(CCOCC3)C2)n[n-]1)c1ccccc1 ZINC000333523356 554620907 /nfs/dbraw/zinc/62/09/07/554620907.db2.gz WNPYWONXMWIQBW-INIZCTEOSA-N -1 1 354.454 3.036 20 0 FEADMM O=C(c1cc(F)cc2nn[nH]c21)N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000333751705 554639272 /nfs/dbraw/zinc/63/92/72/554639272.db2.gz NUXBGFIWFGRMHG-OAHLLOKOSA-N -1 1 359.405 2.008 20 0 FEADMM C[C@@H]1SCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC000511074008 561855943 /nfs/dbraw/zinc/85/59/43/561855943.db2.gz REPXAJPWVDBTQH-SCLBCKFNSA-N -1 1 371.462 2.222 20 0 FEADMM Cc1nc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)co1 ZINC000350336356 554780179 /nfs/dbraw/zinc/78/01/79/554780179.db2.gz KVBPJVKWHYRNOT-UHFFFAOYSA-N -1 1 350.338 2.490 20 0 FEADMM CC1(C)NC(=O)N(Cc2noc(-c3ccc4ccccc4c3[O-])n2)C1=O ZINC000350567675 554798608 /nfs/dbraw/zinc/79/86/08/554798608.db2.gz UFTYHRCWOFKTIY-UHFFFAOYSA-N -1 1 352.350 2.426 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(=O)[nH]c3)no2)o1 ZINC000350801820 554815031 /nfs/dbraw/zinc/81/50/31/554815031.db2.gz XDDIJQPCURHBRQ-UHFFFAOYSA-N -1 1 364.383 2.174 20 0 FEADMM CNC(=O)COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000350820410 554815882 /nfs/dbraw/zinc/81/58/82/554815882.db2.gz VJOBYIULXYKETR-UHFFFAOYSA-N -1 1 373.340 2.382 20 0 FEADMM Cn1cc(-n2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)ccc2=O)cn1 ZINC000350832191 554816840 /nfs/dbraw/zinc/81/68/40/554816840.db2.gz DMZMLVLNXVPRPE-UHFFFAOYSA-N -1 1 353.313 2.133 20 0 FEADMM Cc1oc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1S(=O)(=O)N(C)C ZINC000350837257 554817272 /nfs/dbraw/zinc/81/72/72/554817272.db2.gz NUTLEMJWEXIFJZ-UHFFFAOYSA-N -1 1 367.358 2.400 20 0 FEADMM CCOCCS(=O)(=O)[N-]Cc1nc(C(C)(C)C2CCCCC2)no1 ZINC000350843302 554817540 /nfs/dbraw/zinc/81/75/40/554817540.db2.gz RTWNZAVBUQTUEJ-UHFFFAOYSA-N -1 1 359.492 2.383 20 0 FEADMM CON1CCC(c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CC1 ZINC000351329307 554851467 /nfs/dbraw/zinc/85/14/67/554851467.db2.gz KIXSWQYXTUXHPY-UHFFFAOYSA-N -1 1 353.382 2.432 20 0 FEADMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC000511415434 561868379 /nfs/dbraw/zinc/86/83/79/561868379.db2.gz RHXPCTVPGWKFAZ-UHFFFAOYSA-N -1 1 363.773 2.209 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)co1 ZINC000360701504 554885994 /nfs/dbraw/zinc/88/59/94/554885994.db2.gz XRKYCTQLKZOQBZ-HIFRSBDPSA-N -1 1 362.451 2.281 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(Cc3cccnc3)CC1)c2=O ZINC000360991126 554899318 /nfs/dbraw/zinc/89/93/18/554899318.db2.gz TULFTLHQAUEZQZ-UHFFFAOYSA-N -1 1 351.410 2.164 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOc3nc(C)ccc32)c(=O)[n-]1 ZINC000362292218 554961556 /nfs/dbraw/zinc/96/15/56/554961556.db2.gz ZUHXLRNNGSXQHX-UHFFFAOYSA-N -1 1 360.439 2.274 20 0 FEADMM CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCCC1=O ZINC000363341147 555081688 /nfs/dbraw/zinc/08/16/88/555081688.db2.gz FRHMKNQWWLQLQX-IBGZPJMESA-N -1 1 372.465 2.461 20 0 FEADMM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363587550 555142580 /nfs/dbraw/zinc/14/25/80/555142580.db2.gz ROPGGLPJPBHYSC-XJKSGUPXSA-N -1 1 358.446 2.178 20 0 FEADMM COc1ccnc(N2CCCN(C(=O)c3ccc(Cl)cc3[O-])CC2)n1 ZINC000363642137 555153652 /nfs/dbraw/zinc/15/36/52/555153652.db2.gz WNJBKSMCKWZVCK-UHFFFAOYSA-N -1 1 362.817 2.197 20 0 FEADMM Cn1nnc2ccc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc21 ZINC000363797171 555188142 /nfs/dbraw/zinc/18/81/42/555188142.db2.gz UHMNWOJGFMMMQS-UHFFFAOYSA-N -1 1 364.405 2.409 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2COCCN2C2CCCC2)c1Br ZINC000616009517 555262848 /nfs/dbraw/zinc/26/28/48/555262848.db2.gz WFWATAPSEYJLHO-NSHDSACASA-N -1 1 357.252 2.063 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1Br ZINC000616012844 555263275 /nfs/dbraw/zinc/26/32/75/555263275.db2.gz OFIPYKOGFYDNCD-JTQLQIEISA-N -1 1 355.236 2.068 20 0 FEADMM COc1cc(NC(=O)c2ccc3c(c2)ncn3C)ccc1[N-]S(C)(=O)=O ZINC000512271780 561898111 /nfs/dbraw/zinc/89/81/11/561898111.db2.gz UTIWQLCZJDFWAC-UHFFFAOYSA-N -1 1 374.422 2.206 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)o1 ZINC000364491505 555323044 /nfs/dbraw/zinc/32/30/44/555323044.db2.gz KEAZYJXHPOHUTP-AWEZNQCLSA-N -1 1 363.439 2.340 20 0 FEADMM NC(=O)c1noc([C@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000364717026 555383798 /nfs/dbraw/zinc/38/37/98/555383798.db2.gz IJJNCQCOUKLEBW-CYBMUJFWSA-N -1 1 352.350 2.005 20 0 FEADMM Cc1ccc(S(N)(=O)=O)cc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365962 555427003 /nfs/dbraw/zinc/42/70/03/555427003.db2.gz OBZWGFWDTZEKQB-UHFFFAOYSA-N -1 1 362.436 2.346 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCOC2)C1)c1c(Cl)ccnc1Cl ZINC000364893586 555428657 /nfs/dbraw/zinc/42/86/57/555428657.db2.gz ZIQHQTOJOBHUKH-RNCFNFMXSA-N -1 1 367.254 2.005 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCC[C@@H]1CCCCO1 ZINC000364966036 555452384 /nfs/dbraw/zinc/45/23/84/555452384.db2.gz VIMVOOSNFNNQHL-INIZCTEOSA-N -1 1 370.453 2.148 20 0 FEADMM Cn1ccc(C=CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC000365215807 555513233 /nfs/dbraw/zinc/51/32/33/555513233.db2.gz QNSUIOOBSWVYEA-IJJSQOHJSA-N -1 1 360.780 2.250 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)no1 ZINC000365365514 555554975 /nfs/dbraw/zinc/55/49/75/555554975.db2.gz VLXHFPOTMNOLBD-UHFFFAOYSA-N -1 1 368.802 2.306 20 0 FEADMM O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000365674255 555637704 /nfs/dbraw/zinc/63/77/04/555637704.db2.gz SUESXIKLOQUANK-NHYWBVRUSA-N -1 1 356.825 2.415 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000513499344 561940960 /nfs/dbraw/zinc/94/09/60/561940960.db2.gz FUICHTBXAAAJFK-GFCCVEGCSA-N -1 1 371.359 2.098 20 0 FEADMM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1=O ZINC000513541281 561942225 /nfs/dbraw/zinc/94/22/25/561942225.db2.gz PPUHVYTTWDIEEQ-IUODEOHRSA-N -1 1 357.385 2.408 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2C)c1 ZINC000513846895 561952404 /nfs/dbraw/zinc/95/24/04/561952404.db2.gz YVUBGHIQLNDIEO-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM Cc1noc2nc(C(C)C)cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c12 ZINC000366728125 555919288 /nfs/dbraw/zinc/91/92/88/555919288.db2.gz CYZMEZMUPYENRH-LLVKDONJSA-N -1 1 355.402 2.188 20 0 FEADMM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1OC ZINC000366728906 555919566 /nfs/dbraw/zinc/91/95/66/555919566.db2.gz FFOAHLJECFZEPH-AWEZNQCLSA-N -1 1 359.430 2.407 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1-c1ccncc1 ZINC000366732831 555920546 /nfs/dbraw/zinc/92/05/46/555920546.db2.gz AEMOVCXYQDYYIZ-UHFFFAOYSA-N -1 1 366.834 2.276 20 0 FEADMM CN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)c1ccc(F)cc1 ZINC000367393688 556036797 /nfs/dbraw/zinc/03/67/97/556036797.db2.gz FYDPVFBOZONWHI-UHFFFAOYSA-N -1 1 357.316 2.290 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC2(CCC2)CC1 ZINC000367434057 556047929 /nfs/dbraw/zinc/04/79/29/556047929.db2.gz DHDZPOIIUBOWCB-UHFFFAOYSA-N -1 1 352.438 2.476 20 0 FEADMM O=C([O-])C1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000515176384 561999176 /nfs/dbraw/zinc/99/91/76/561999176.db2.gz LHZSBUWDAQYDPO-CQSZACIVSA-N -1 1 367.243 2.351 20 0 FEADMM Cn1cc([C@H]2[C@@H](CNC(=O)c3cc(F)c([O-])c(F)c3)CCCN2C)cn1 ZINC000368357053 556286490 /nfs/dbraw/zinc/28/64/90/556286490.db2.gz HPLAFFJXAGDESX-BDJLRTHQSA-N -1 1 364.396 2.217 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccnc(C)n3)cc2)o1 ZINC000368747521 556404668 /nfs/dbraw/zinc/40/46/68/556404668.db2.gz GYFGBSUNRSHNIW-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000515630017 562017740 /nfs/dbraw/zinc/01/77/40/562017740.db2.gz PDGUUJBDFQOCDP-UHFFFAOYSA-N -1 1 373.434 2.243 20 0 FEADMM CN1CC[C@H](CNC(=O)CSCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516290275 562038785 /nfs/dbraw/zinc/03/87/85/562038785.db2.gz MKTYIVPUAOCRGW-BZNIZROVSA-N -1 1 374.865 2.406 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)s1 ZINC000369729533 556679347 /nfs/dbraw/zinc/67/93/47/556679347.db2.gz LOUOOYWOSBAXQZ-UHFFFAOYSA-N -1 1 353.404 2.485 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000369964743 556743427 /nfs/dbraw/zinc/74/34/27/556743427.db2.gz NSMYWWKOTUPZBD-CYBMUJFWSA-N -1 1 357.410 2.155 20 0 FEADMM COC(=O)c1cccc(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)n1 ZINC000516817962 562059094 /nfs/dbraw/zinc/05/90/94/562059094.db2.gz UHJLZKIDYRIRKC-UHFFFAOYSA-N -1 1 370.337 2.032 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1COc2ccc(Cl)cc21 ZINC000370507499 556893910 /nfs/dbraw/zinc/89/39/10/556893910.db2.gz IIOJUDDJTRPMCT-AWEZNQCLSA-N -1 1 372.812 2.498 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)n1 ZINC000370815132 556976681 /nfs/dbraw/zinc/97/66/81/556976681.db2.gz UEEVDVIDFXGOPW-GFCCVEGCSA-N -1 1 355.373 2.036 20 0 FEADMM O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370860900 556993553 /nfs/dbraw/zinc/99/35/53/556993553.db2.gz WVFQDBZYCNDFOP-AWEZNQCLSA-N -1 1 367.434 2.241 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)Cc1ccsc1 ZINC000517465180 562090760 /nfs/dbraw/zinc/09/07/60/562090760.db2.gz ANBFQGIWILVNRT-GFCCVEGCSA-N -1 1 368.462 2.492 20 0 FEADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000517734086 562096710 /nfs/dbraw/zinc/09/67/10/562096710.db2.gz VBXQTYQHHPKCAK-WFASDCNBSA-N -1 1 357.410 2.437 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1Cc3ccccc3[C@H](n3cccn3)C1)c2=O ZINC000371651915 557251906 /nfs/dbraw/zinc/25/19/06/557251906.db2.gz UOJJBZXLAOUNMD-QGZVFWFLSA-N -1 1 374.404 2.116 20 0 FEADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000371655706 557253414 /nfs/dbraw/zinc/25/34/14/557253414.db2.gz NAOPJNQFFWSHFG-LBPRGKRZSA-N -1 1 374.832 2.347 20 0 FEADMM CCCc1nc([C@@H]([N-]S(=O)(=O)CCOC(C)C)c2ccccc2)no1 ZINC000371868079 557315412 /nfs/dbraw/zinc/31/54/12/557315412.db2.gz PCPYGNQCRXMUHA-INIZCTEOSA-N -1 1 367.471 2.456 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCC1)c1ccc(OC)cc1OC ZINC000518441300 562111629 /nfs/dbraw/zinc/11/16/29/562111629.db2.gz IBWCBOJFSDKTRT-INIZCTEOSA-N -1 1 371.455 2.028 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2cccc(F)c2O[C@@H]1C ZINC000371978767 557345256 /nfs/dbraw/zinc/34/52/56/557345256.db2.gz JEJAYHUNARGMEL-LDYMZIIASA-N -1 1 359.810 2.322 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2OC)o1 ZINC000518620451 562115463 /nfs/dbraw/zinc/11/54/63/562115463.db2.gz RDSOVZWYZSTSHP-UHFFFAOYSA-N -1 1 367.423 2.374 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC2(CCC2(F)F)C1 ZINC000518853028 562119929 /nfs/dbraw/zinc/11/99/29/562119929.db2.gz XYVQKLGLKRTMJT-UHFFFAOYSA-N -1 1 350.369 2.242 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000372488261 557483610 /nfs/dbraw/zinc/48/36/10/557483610.db2.gz ZCLPORWDVLKSNI-UHFFFAOYSA-N -1 1 373.394 2.451 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000519677498 562139541 /nfs/dbraw/zinc/13/95/41/562139541.db2.gz SIJPIEOBISJVEN-UHFFFAOYSA-N -1 1 372.805 2.415 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3F)co2)o1 ZINC000373613501 557729519 /nfs/dbraw/zinc/72/95/19/557729519.db2.gz UJOIIVQFIIGQCZ-UHFFFAOYSA-N -1 1 365.342 2.234 20 0 FEADMM CCSc1nccnc1C(=O)N=c1nc(-c2c(F)cccc2F)[nH][n-]1 ZINC000373904653 557783417 /nfs/dbraw/zinc/78/34/17/557783417.db2.gz NMRRHANPMGSIMH-UHFFFAOYSA-N -1 1 362.365 2.904 20 0 FEADMM COCCOCCOCCS(=O)(=O)[N-]c1csc2ccccc12 ZINC000520819833 562164541 /nfs/dbraw/zinc/16/45/41/562164541.db2.gz NTLKJCNFUGVOGE-UHFFFAOYSA-N -1 1 359.469 2.323 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000374465204 557887257 /nfs/dbraw/zinc/88/72/57/557887257.db2.gz PROVKLQBVHNJJP-CQSZACIVSA-N -1 1 355.394 2.429 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)c1 ZINC000374473242 557888476 /nfs/dbraw/zinc/88/84/76/557888476.db2.gz VNZXCIVPRXLQGF-KYOSRNDESA-N -1 1 360.410 2.154 20 0 FEADMM CCC(CC)[C@H](O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000374561412 557899947 /nfs/dbraw/zinc/89/99/47/557899947.db2.gz GYWPBTITHNBAQL-MRXNPFEDSA-N -1 1 358.442 2.008 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3cccc(F)c32)o1 ZINC000374659386 557913177 /nfs/dbraw/zinc/91/31/77/557913177.db2.gz DDJQLEZOTCKJJL-JTQLQIEISA-N -1 1 355.343 2.007 20 0 FEADMM CN(C)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cc1 ZINC000375010114 557963509 /nfs/dbraw/zinc/96/35/09/557963509.db2.gz IPJFBHOICFGQLM-UHFFFAOYSA-N -1 1 368.368 2.192 20 0 FEADMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2ncc(Cl)cc2Cl)C1 ZINC000521323430 562174420 /nfs/dbraw/zinc/17/44/20/562174420.db2.gz RFWCPFNXOOTTML-NSHDSACASA-N -1 1 369.256 2.177 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@]3(C1)OCc1ccccc13)c2=O ZINC000375406994 558022208 /nfs/dbraw/zinc/02/22/08/558022208.db2.gz YEENHAXZZDIECY-HXUWFJFHSA-N -1 1 364.405 2.336 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)c1 ZINC000375460152 558031298 /nfs/dbraw/zinc/03/12/98/558031298.db2.gz MREGRMLBRIVOGH-TZMCWYRMSA-N -1 1 355.394 2.285 20 0 FEADMM NC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C(F)(F)F ZINC000375486993 558036295 /nfs/dbraw/zinc/03/62/95/558036295.db2.gz PBWRQGNYRFANAF-CHWSQXEVSA-N -1 1 352.312 2.281 20 0 FEADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@H]1CCCc2cccnc21 ZINC000375487739 558036319 /nfs/dbraw/zinc/03/63/19/558036319.db2.gz NNIMPYYTLMCWOE-AWEZNQCLSA-N -1 1 363.439 2.122 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cc(C2CC2)no1 ZINC000375584865 558052628 /nfs/dbraw/zinc/05/26/28/558052628.db2.gz PNYAKLJOIOGZAA-ZDUSSCGKSA-N -1 1 362.752 2.377 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000375996632 558111574 /nfs/dbraw/zinc/11/15/74/558111574.db2.gz VYUXAEBIKLUXLW-CYBMUJFWSA-N -1 1 360.360 2.244 20 0 FEADMM Cc1nn2c([n-]nc2SCc2cnc(-c3ccc(Cl)cc3)[nH]2)nc1=O ZINC000376529068 558185986 /nfs/dbraw/zinc/18/59/86/558185986.db2.gz VPYTUWBZSWIPLS-UHFFFAOYSA-N -1 1 373.829 2.457 20 0 FEADMM O=C(N=c1nc2ccccn2[n-]1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000376926195 558240353 /nfs/dbraw/zinc/24/03/53/558240353.db2.gz IFDPSADXUKARIN-CQSZACIVSA-N -1 1 374.408 2.883 20 0 FEADMM O=C(N=c1nc2ccccn2[n-]1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000376926195 558240355 /nfs/dbraw/zinc/24/03/55/558240355.db2.gz IFDPSADXUKARIN-CQSZACIVSA-N -1 1 374.408 2.883 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1CCOCC1 ZINC000522273224 562195783 /nfs/dbraw/zinc/19/57/83/562195783.db2.gz REOILYYXVUFMBJ-UHFFFAOYSA-N -1 1 356.426 2.028 20 0 FEADMM O=C(N=c1[n-]nc(Cc2ccccc2F)s1)N[C@H]1CCc2nc[nH]c2C1 ZINC000377745164 558410177 /nfs/dbraw/zinc/41/01/77/558410177.db2.gz AWFYVTSXHUHVED-NSHDSACASA-N -1 1 372.429 2.670 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000377841033 558432941 /nfs/dbraw/zinc/43/29/41/558432941.db2.gz XZOOCKAOEOCDTJ-UHFFFAOYSA-N -1 1 362.258 2.023 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000522744652 562203071 /nfs/dbraw/zinc/20/30/71/562203071.db2.gz FPFKWAMGAUMGAT-OAQYLSRUSA-N -1 1 359.450 2.293 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000377856184 558436002 /nfs/dbraw/zinc/43/60/02/558436002.db2.gz NFDJNHRRQZGHJP-LLVKDONJSA-N -1 1 369.447 2.378 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000522928467 562206158 /nfs/dbraw/zinc/20/61/58/562206158.db2.gz FNDLECKABTZTDT-UHFFFAOYSA-N -1 1 350.382 2.167 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000522957459 562206467 /nfs/dbraw/zinc/20/64/67/562206467.db2.gz DWJCDKPRAPZHTH-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CCC2 ZINC000378256256 558513477 /nfs/dbraw/zinc/51/34/77/558513477.db2.gz YZXLIFZFOLRAOF-JTQLQIEISA-N -1 1 359.373 2.465 20 0 FEADMM CC(C)(CO)CCNC(=O)c1cc(I)ccc1[O-] ZINC000385721265 558606634 /nfs/dbraw/zinc/60/66/34/558606634.db2.gz SFIBIUBGBJBDMS-UHFFFAOYSA-N -1 1 363.195 2.135 20 0 FEADMM COCC1(NC(=O)c2cc(I)ccc2[O-])CCC1 ZINC000386048222 558606680 /nfs/dbraw/zinc/60/66/80/558606680.db2.gz GMHGSEFJJBPPRI-UHFFFAOYSA-N -1 1 361.179 2.296 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000392088982 558615883 /nfs/dbraw/zinc/61/58/83/558615883.db2.gz PPGJSFIDPNNWOA-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM CC[C@H](NC(=O)c1cc(I)ccc1[O-])C(C)(C)O ZINC000394021497 558621809 /nfs/dbraw/zinc/62/18/09/558621809.db2.gz SMCLDELXNXFSPN-NSHDSACASA-N -1 1 363.195 2.276 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1csnn1 ZINC000398278813 558626170 /nfs/dbraw/zinc/62/61/70/558626170.db2.gz UOPGIXRNINLYHL-YFKPBYRVSA-N -1 1 354.276 2.402 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(Nc3ccccc3)c2)n1 ZINC000524035726 562223314 /nfs/dbraw/zinc/22/33/14/562223314.db2.gz CGXSJHRPQWCFIF-UHFFFAOYSA-N -1 1 357.395 2.204 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2cccc(Nc3ccccc3)c2)[n-]1 ZINC000524035726 562223315 /nfs/dbraw/zinc/22/33/15/562223315.db2.gz CGXSJHRPQWCFIF-UHFFFAOYSA-N -1 1 357.395 2.204 20 0 FEADMM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1(C)C ZINC000408214213 558657259 /nfs/dbraw/zinc/65/72/59/558657259.db2.gz ICVOHKXJFDPKHE-AVPPRXQKSA-N -1 1 352.250 2.380 20 0 FEADMM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000408299456 558664855 /nfs/dbraw/zinc/66/48/55/558664855.db2.gz UTKSSDATIRKQBJ-QMMMGPOBSA-N -1 1 355.218 2.032 20 0 FEADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1CCOC1 ZINC000524357847 562227417 /nfs/dbraw/zinc/22/74/17/562227417.db2.gz RMZCZNLJWMVALJ-INIZCTEOSA-N -1 1 374.462 2.482 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(C)cc(C)c1Br ZINC000410279843 558749792 /nfs/dbraw/zinc/74/97/92/558749792.db2.gz RRJVGWUSRVIFSK-UHFFFAOYSA-N -1 1 365.231 2.709 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCCO1)c1sc2ccccc2c1Cl ZINC000528484035 562331732 /nfs/dbraw/zinc/33/17/32/562331732.db2.gz HHRIJBVGFKVDOS-GHMZBOCLSA-N -1 1 361.872 2.373 20 0 FEADMM CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000525380008 562246939 /nfs/dbraw/zinc/24/69/39/562246939.db2.gz QMCNSKLXFKXGSR-UHFFFAOYSA-N -1 1 371.328 2.094 20 0 FEADMM CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1 ZINC000525380008 562246940 /nfs/dbraw/zinc/24/69/40/562246940.db2.gz QMCNSKLXFKXGSR-UHFFFAOYSA-N -1 1 371.328 2.094 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)on1 ZINC000525703227 562252783 /nfs/dbraw/zinc/25/27/83/562252783.db2.gz HHJGRCBDHIFZKZ-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM NC(=O)[C@@]1(c2ccccc2)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000411968502 558997036 /nfs/dbraw/zinc/99/70/36/558997036.db2.gz OKDMMTREONYCCF-SFHVURJKSA-N -1 1 354.435 2.026 20 0 FEADMM O=C(N[C@@H]1CCC[C@H]1O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000412430323 559035039 /nfs/dbraw/zinc/03/50/39/559035039.db2.gz UWWJGXZRHQJBKP-KZNAEPCWSA-N -1 1 368.433 2.180 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c(Cl)c1 ZINC000414221689 559153713 /nfs/dbraw/zinc/15/37/13/559153713.db2.gz LKDUFPMUHHJFIW-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c(Cl)c1 ZINC000414221689 559153714 /nfs/dbraw/zinc/15/37/14/559153714.db2.gz LKDUFPMUHHJFIW-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC/C=C\c2ccc(F)cc2F)C1=O ZINC000414648305 559177145 /nfs/dbraw/zinc/17/71/45/559177145.db2.gz CVTXFIQDULOFKX-MYIWKSEUSA-N -1 1 352.381 2.278 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1=O ZINC000414662351 559178143 /nfs/dbraw/zinc/17/81/43/559178143.db2.gz RLCFHDHQZMQHPP-OCCSQVGLSA-N -1 1 374.359 2.227 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000416133043 559293650 /nfs/dbraw/zinc/29/36/50/559293650.db2.gz MJJBTLCMFYOEMQ-SECBINFHSA-N -1 1 357.288 2.320 20 0 FEADMM CC(C)(NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2)c1nn[n-]n1 ZINC000416156394 559295073 /nfs/dbraw/zinc/29/50/73/559295073.db2.gz OZADOSGEVJZKHJ-UHFFFAOYSA-N -1 1 369.404 2.068 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000416165686 559295647 /nfs/dbraw/zinc/29/56/47/559295647.db2.gz HJRFWTMSZFKISH-UFBFGSQYSA-N -1 1 367.789 2.056 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000416240087 559300527 /nfs/dbraw/zinc/30/05/27/559300527.db2.gz AXVMEWYLNGFWOR-GFCCVEGCSA-N -1 1 369.381 2.140 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(F)(F)F ZINC000416636568 559326627 /nfs/dbraw/zinc/32/66/27/559326627.db2.gz SCMLMRDJJKITBD-JTQLQIEISA-N -1 1 358.769 2.304 20 0 FEADMM FC(F)(F)c1[n-]c(=NCCN2CCCOCC2)sc1Br ZINC000418924210 559422282 /nfs/dbraw/zinc/42/22/82/559422282.db2.gz ORFPIPVURMWWPD-UHFFFAOYSA-N -1 1 374.226 3.059 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cnn(C2CCOCC2)c1C ZINC000421165199 559528030 /nfs/dbraw/zinc/52/80/30/559528030.db2.gz LSRKKXRGQJQRFI-HNNXBMFYSA-N -1 1 359.492 2.346 20 0 FEADMM Cc1[nH]nc([N-]S(=O)(=O)c2cccc3c2OCC3)c1Br ZINC000421233105 559532706 /nfs/dbraw/zinc/53/27/06/559532706.db2.gz MLHGJDCNJVHZDP-UHFFFAOYSA-N -1 1 358.217 2.216 20 0 FEADMM NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000421923719 559556794 /nfs/dbraw/zinc/55/67/94/559556794.db2.gz RGCIJWFCTSUWNJ-MGCOHNPYSA-N -1 1 355.232 2.176 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000424576214 559669923 /nfs/dbraw/zinc/66/99/23/559669923.db2.gz MIDGUBPPQFFXRV-VOIUYBSRSA-N -1 1 366.508 2.283 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000425010006 559683619 /nfs/dbraw/zinc/68/36/19/559683619.db2.gz QHDOVYDZMJHFOR-BEFAXECRSA-N -1 1 354.385 2.348 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](n2ccnn2)C1 ZINC000425028273 559684293 /nfs/dbraw/zinc/68/42/93/559684293.db2.gz YWJZIQRRHRQVIS-LLVKDONJSA-N -1 1 351.204 2.224 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCOCC3)C2)c(F)c1 ZINC000425168277 559689291 /nfs/dbraw/zinc/68/92/91/559689291.db2.gz LOJPSJOEUBPVKJ-GFCCVEGCSA-N -1 1 361.410 2.280 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(c3cccnn3)CC2)c(F)c1 ZINC000425182540 559689967 /nfs/dbraw/zinc/68/99/67/559689967.db2.gz ZJANVCAZZVWWON-UHFFFAOYSA-N -1 1 368.409 2.011 20 0 FEADMM O=C(CCCc1ccccc1)NCC[N-]S(=O)(=O)c1sccc1F ZINC000425187676 559690067 /nfs/dbraw/zinc/69/00/67/559690067.db2.gz WPVKXPLMPXMEOE-UHFFFAOYSA-N -1 1 370.471 2.305 20 0 FEADMM CN1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000425186818 559690141 /nfs/dbraw/zinc/69/01/41/559690141.db2.gz UXEBQIPKKQUYFY-QMMMGPOBSA-N -1 1 369.245 2.279 20 0 FEADMM COC(=O)[C@@H]1CSCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000425266027 559694189 /nfs/dbraw/zinc/69/41/89/559694189.db2.gz GQMVDWLLBYBKGO-HOCLYGCPSA-N -1 1 372.494 2.992 20 0 FEADMM COc1cc2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)[nH]c2cc1OC ZINC000425293450 559694919 /nfs/dbraw/zinc/69/49/19/559694919.db2.gz BPTDEBFRPMECDZ-JTQLQIEISA-N -1 1 372.381 2.294 20 0 FEADMM CCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425309267 559696048 /nfs/dbraw/zinc/69/60/48/559696048.db2.gz VTCONMMZWUWGHG-HNNXBMFYSA-N -1 1 372.425 2.277 20 0 FEADMM Cc1cc(=O)[nH]c2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)ccc12 ZINC000425318000 559696539 /nfs/dbraw/zinc/69/65/39/559696539.db2.gz GVIIEUSUGHRJBD-UHFFFAOYSA-N -1 1 354.366 2.357 20 0 FEADMM O=C(c1ccc(OC2CCOCC2)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425323612 559696674 /nfs/dbraw/zinc/69/66/74/559696674.db2.gz PLLDTQSQWVWXGU-UHFFFAOYSA-N -1 1 373.409 2.353 20 0 FEADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000426368449 559733540 /nfs/dbraw/zinc/73/35/40/559733540.db2.gz AGQJTSBNYSKSLA-ZIAGYGMSSA-N -1 1 366.535 2.557 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CNC(=O)c1ncccc1[O-] ZINC000426956742 559744769 /nfs/dbraw/zinc/74/47/69/559744769.db2.gz PPZNPSHQSYQTAS-FMKPAKJESA-N -1 1 353.422 2.310 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](C)C(F)(F)C1 ZINC000427531989 559757353 /nfs/dbraw/zinc/75/73/53/559757353.db2.gz VQOLGOQZLAUTQZ-JTQLQIEISA-N -1 1 352.385 2.488 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc3cccnc3c(OC)c2)cc1 ZINC000427638646 559759454 /nfs/dbraw/zinc/75/94/54/559759454.db2.gz LPSLFNDZIMPOGD-UHFFFAOYSA-N -1 1 371.418 2.404 20 0 FEADMM COC1(C)CN(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)C1 ZINC000428158025 559770598 /nfs/dbraw/zinc/77/05/98/559770598.db2.gz QCFHBVSWNHUANS-UHFFFAOYSA-N -1 1 369.393 2.386 20 0 FEADMM Cc1cnc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c([O-])c1 ZINC000430154907 559814343 /nfs/dbraw/zinc/81/43/43/559814343.db2.gz JGTRVVCDAGDZHZ-UHFFFAOYSA-N -1 1 354.815 2.083 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)cc12 ZINC000431160009 559835249 /nfs/dbraw/zinc/83/52/49/559835249.db2.gz SKPMPSKDMCFXRZ-UHFFFAOYSA-N -1 1 356.329 2.495 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NCCOc2ccc(F)cc2F)[n-]n1 ZINC000432218109 559854392 /nfs/dbraw/zinc/85/43/92/559854392.db2.gz JSMPLFLAXSAFST-UHFFFAOYSA-N -1 1 362.380 2.918 20 0 FEADMM COc1ccc(NC(=O)[C@H]2CCC[C@@H](OC)C2)cc1[N-]S(C)(=O)=O ZINC000432407936 559858130 /nfs/dbraw/zinc/85/81/30/559858130.db2.gz QNJSFFZIMWXUPM-WCQYABFASA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000432630696 559861972 /nfs/dbraw/zinc/86/19/72/559861972.db2.gz FCMJIPAFKNHOLT-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000432670264 559862831 /nfs/dbraw/zinc/86/28/31/559862831.db2.gz RQVRDLCESIYRPU-UHFFFAOYSA-N -1 1 371.321 2.249 20 0 FEADMM Cn1cc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000433651969 559885583 /nfs/dbraw/zinc/88/55/83/559885583.db2.gz WUDWYNXHAQLWLF-UHFFFAOYSA-N -1 1 370.681 2.376 20 0 FEADMM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000435206592 559917976 /nfs/dbraw/zinc/91/79/76/559917976.db2.gz IFMJVOVDKOZNKP-UHFFFAOYSA-N -1 1 356.469 2.298 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCc3cn(C(C)C)nc3C2)sc1C ZINC000435221943 559918188 /nfs/dbraw/zinc/91/81/88/559918188.db2.gz FIPNMUPYASUDQL-CYBMUJFWSA-N -1 1 354.501 2.373 20 0 FEADMM CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000436431640 559941555 /nfs/dbraw/zinc/94/15/55/559941555.db2.gz LLLLGJBSFDULOF-QMMMGPOBSA-N -1 1 356.370 2.003 20 0 FEADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000435973939 559933310 /nfs/dbraw/zinc/93/33/10/559933310.db2.gz SRCJYDOZWWKZIR-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CSCC(=O)OC(C)(C)C)c1 ZINC000436501811 559943311 /nfs/dbraw/zinc/94/33/11/559943311.db2.gz ARVUSWVLUPERNL-UHFFFAOYSA-N -1 1 355.412 2.192 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2nc(-c3ccncc3)no2)c1 ZINC000436504871 559943392 /nfs/dbraw/zinc/94/33/92/559943392.db2.gz KXACWNMUFVVPJZ-UHFFFAOYSA-N -1 1 368.349 2.195 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2[O-])o1 ZINC000436548656 559945120 /nfs/dbraw/zinc/94/51/20/559945120.db2.gz UAGDIRYJZJYRIO-UHFFFAOYSA-N -1 1 354.156 2.464 20 0 FEADMM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436685230 559948767 /nfs/dbraw/zinc/94/87/67/559948767.db2.gz KZFAQTRXMAOLTO-CQSZACIVSA-N -1 1 362.451 2.089 20 0 FEADMM O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc(O)cc1[O-] ZINC000436711360 559949565 /nfs/dbraw/zinc/94/95/65/559949565.db2.gz HCGTZGLCDIWCNQ-UHFFFAOYSA-N -1 1 350.321 2.465 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCOCC12CC2 ZINC000436718186 559950072 /nfs/dbraw/zinc/95/00/72/559950072.db2.gz YOOOEAROTADZTA-UHFFFAOYSA-N -1 1 359.163 2.002 20 0 FEADMM CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000436736890 559950628 /nfs/dbraw/zinc/95/06/28/559950628.db2.gz PIUZYWURYKRINQ-CJNGLKHVSA-N -1 1 362.817 2.012 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000436776945 559951573 /nfs/dbraw/zinc/95/15/73/559951573.db2.gz AYRXJOVZCUZDGX-UHFFFAOYSA-N -1 1 362.407 2.193 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1 ZINC000436782173 559951860 /nfs/dbraw/zinc/95/18/60/559951860.db2.gz HUPZFCHIGQWBMS-UHFFFAOYSA-N -1 1 364.379 2.158 20 0 FEADMM CCn1cc(CN(CCO)C(=O)c2cc(Br)ccc2[O-])cn1 ZINC000436888291 559955618 /nfs/dbraw/zinc/95/56/18/559955618.db2.gz MYFANMLNAQYFKT-UHFFFAOYSA-N -1 1 368.231 2.006 20 0 FEADMM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916798 559956388 /nfs/dbraw/zinc/95/63/88/559956388.db2.gz XTFIVDWKIGCFOU-GXSJLCMTSA-N -1 1 366.805 2.353 20 0 FEADMM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916798 559956389 /nfs/dbraw/zinc/95/63/89/559956389.db2.gz XTFIVDWKIGCFOU-GXSJLCMTSA-N -1 1 366.805 2.353 20 0 FEADMM COc1cc2c(cc1OC)CCN(C(=O)C(=O)c1ccc([O-])cc1)CC2 ZINC000436935958 559956871 /nfs/dbraw/zinc/95/68/71/559956871.db2.gz XSIHRYTXECVXMF-UHFFFAOYSA-N -1 1 355.390 2.220 20 0 FEADMM Cc1nc([C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2F)no1 ZINC000436951186 559957331 /nfs/dbraw/zinc/95/73/31/559957331.db2.gz DZXMVPVFNYSGOU-HNNXBMFYSA-N -1 1 355.325 2.311 20 0 FEADMM CN(C)S(=O)(=O)c1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436999899 559959237 /nfs/dbraw/zinc/95/92/37/559959237.db2.gz SMCADXBOQRETAN-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000436997714 559959271 /nfs/dbraw/zinc/95/92/71/559959271.db2.gz XGYIHRNBGXTLBF-UHFFFAOYSA-N -1 1 369.782 2.332 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCNC3=O)ccc2F)c(C)o1 ZINC000439246437 559990765 /nfs/dbraw/zinc/99/07/65/559990765.db2.gz MYSIMRASHAJCMH-UHFFFAOYSA-N -1 1 353.375 2.366 20 0 FEADMM Cc1ccc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)s1 ZINC000439785313 559999996 /nfs/dbraw/zinc/99/99/96/559999996.db2.gz YGPNZNDSIMZIMX-UHFFFAOYSA-N -1 1 371.450 2.007 20 0 FEADMM O=S(=O)([N-]CCc1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1F ZINC000440062919 560004040 /nfs/dbraw/zinc/00/40/40/560004040.db2.gz OBKZHIARPGSVAC-UHFFFAOYSA-N -1 1 364.377 2.271 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1Cl ZINC000441354360 560029508 /nfs/dbraw/zinc/02/95/08/560029508.db2.gz MXZKZXDUVFQZOU-UHFFFAOYSA-N -1 1 369.830 2.388 20 0 FEADMM COc1cc(NC(=O)N2CC[C@H](OC)C[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000441666353 560037417 /nfs/dbraw/zinc/03/74/17/560037417.db2.gz GQLWGMUHACBZAD-YPMHNXCESA-N -1 1 371.459 2.098 20 0 FEADMM CN(CCCO)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000441759408 560038627 /nfs/dbraw/zinc/03/86/27/560038627.db2.gz LYCFIJLQXKZRSF-UHFFFAOYSA-N -1 1 363.439 2.334 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1 ZINC000442624749 560053748 /nfs/dbraw/zinc/05/37/48/560053748.db2.gz QFGWSFDNAJEGEP-UHFFFAOYSA-N -1 1 362.386 2.205 20 0 FEADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000442835252 560059099 /nfs/dbraw/zinc/05/90/99/560059099.db2.gz YGQZXBWNCJAFSE-UHFFFAOYSA-N -1 1 359.400 2.275 20 0 FEADMM CC(C)(C)OC(=O)CN[C@]1(C)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000442838006 560059176 /nfs/dbraw/zinc/05/91/76/560059176.db2.gz OPKVBFXNJVLKQV-GOSISDBHSA-N -1 1 352.406 2.067 20 0 FEADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)CC(C)(C)C)c1noc(C)n1 ZINC000442947001 560063220 /nfs/dbraw/zinc/06/32/20/560063220.db2.gz ZIVVHERYBWXGSQ-CQSZACIVSA-N -1 1 353.444 2.442 20 0 FEADMM COc1cc(C(=O)NCCNC(=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000442975311 560064567 /nfs/dbraw/zinc/06/45/67/560064567.db2.gz JWZXYSQCKUTSEA-UHFFFAOYSA-N -1 1 366.776 2.353 20 0 FEADMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443228223 560075390 /nfs/dbraw/zinc/07/53/90/560075390.db2.gz VGMIWMWEPXZIJG-RYUDHWBXSA-N -1 1 371.817 2.237 20 0 FEADMM C[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC(=O)N1 ZINC000444347352 560110456 /nfs/dbraw/zinc/11/04/56/560110456.db2.gz VKJIYQNTYYBMFV-OLZOCXBDSA-N -1 1 373.453 2.308 20 0 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XLIUINOXZOFVFZ-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCCC(=O)OC(C)(C)C ZINC000474622128 561078693 /nfs/dbraw/zinc/07/86/93/561078693.db2.gz UBSLSTRBHMRZDI-UHFFFAOYSA-N -1 1 355.460 2.406 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000474818654 561083673 /nfs/dbraw/zinc/08/36/73/561083673.db2.gz UICSFLPAANXNKA-VXGBXAGGSA-N -1 1 366.487 2.026 20 0 FEADMM CC(C)(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nn1 ZINC000475528987 561099453 /nfs/dbraw/zinc/09/94/53/561099453.db2.gz KDVFGCZDSKCMNQ-UHFFFAOYSA-N -1 1 368.397 2.241 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cc2cccc(F)c2o1 ZINC000475747270 561104439 /nfs/dbraw/zinc/10/44/39/561104439.db2.gz INYYOYMFYSDLNT-SNVBAGLBSA-N -1 1 357.341 2.280 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCc2ccc(F)c(F)c2)co1 ZINC000475964261 561108517 /nfs/dbraw/zinc/10/85/17/561108517.db2.gz IYJLVXBWPFQWDQ-UHFFFAOYSA-N -1 1 372.393 2.219 20 0 FEADMM O=C(CS(=O)(=O)c1ccc([O-])cc1)NCCOc1cccc(Cl)c1 ZINC000476060346 561110505 /nfs/dbraw/zinc/11/05/05/561110505.db2.gz KEOWQEWIYKXZAV-UHFFFAOYSA-N -1 1 369.826 2.015 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000476560498 561122426 /nfs/dbraw/zinc/12/24/26/561122426.db2.gz GLXHSZQUXBBJCS-UHFFFAOYSA-N -1 1 362.407 2.226 20 0 FEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c1 ZINC000476907201 561131689 /nfs/dbraw/zinc/13/16/89/561131689.db2.gz FLMZSMHYOHBSQQ-UHFFFAOYSA-N -1 1 363.439 2.352 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cn1 ZINC000476923304 561132144 /nfs/dbraw/zinc/13/21/44/561132144.db2.gz UINFKNCBCRFQRH-UHFFFAOYSA-N -1 1 359.407 2.456 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000477051549 561135283 /nfs/dbraw/zinc/13/52/83/561135283.db2.gz RXFHFZDDTQWYBI-UHFFFAOYSA-N -1 1 364.196 2.111 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](OC)[C@H](C)CC)c2)n1 ZINC000477122923 561137298 /nfs/dbraw/zinc/13/72/98/561137298.db2.gz CTXBEXMJNPJQQW-IUODEOHRSA-N -1 1 374.441 2.326 20 0 FEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2)n[nH]1 ZINC000477223077 561139750 /nfs/dbraw/zinc/13/97/50/561139750.db2.gz QPMPJYWZSAGTEJ-UHFFFAOYSA-N -1 1 358.379 2.310 20 0 FEADMM COc1cccc([C@H](C[N-]S(=O)(=O)c2nc(C)c(C)s2)OC)c1 ZINC000528445962 562329783 /nfs/dbraw/zinc/32/97/83/562329783.db2.gz CEXQHKIGVGNPCD-AWEZNQCLSA-N -1 1 356.469 2.435 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@]2(C)COc3ccccc3O2)sc1C ZINC000528449765 562330046 /nfs/dbraw/zinc/33/00/46/562330046.db2.gz FBQAXDRLUNSAFR-OAHLLOKOSA-N -1 1 354.453 2.268 20 0 FEADMM COc1cc2[n-]cc(C(=O)N3CCC(F)(F)CC3)c(=O)c2c(OC)c1 ZINC000529228492 562365601 /nfs/dbraw/zinc/36/56/01/562365601.db2.gz KWHITHVQFISQEH-UHFFFAOYSA-N -1 1 352.337 2.417 20 0 FEADMM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1cccc(F)c1[O-])C2=O ZINC000530005130 562394295 /nfs/dbraw/zinc/39/42/95/562394295.db2.gz IHVOCEVMPAEIHJ-GHMZBOCLSA-N -1 1 363.389 2.217 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn(CC(F)F)c1)c1ccc(F)cc1 ZINC000530133674 562399206 /nfs/dbraw/zinc/39/92/06/562399206.db2.gz IEEZVNNGPSPNNX-ZDUSSCGKSA-N -1 1 363.361 2.417 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)on1 ZINC000530905831 562428325 /nfs/dbraw/zinc/42/83/25/562428325.db2.gz RWEMXGJAHSRWOF-JTQLQIEISA-N -1 1 366.374 2.353 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)on1 ZINC000530967099 562430320 /nfs/dbraw/zinc/43/03/20/562430320.db2.gz JEQDGFFTZACHSR-GFCCVEGCSA-N -1 1 362.411 2.137 20 0 FEADMM COc1cccc(CCNC(=O)c2c(C)[n-]c(=O)nc2SC)c1OC ZINC000531785525 562456591 /nfs/dbraw/zinc/45/65/91/562456591.db2.gz MUNSSQDFNQPJGQ-UHFFFAOYSA-N -1 1 363.439 2.202 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(CC)cc2)o1 ZINC000532830238 562490083 /nfs/dbraw/zinc/49/00/83/562490083.db2.gz HSIIXTBSNHJSER-AWEZNQCLSA-N -1 1 367.423 2.031 20 0 FEADMM CCc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000533464326 562509861 /nfs/dbraw/zinc/50/98/61/562509861.db2.gz BWMVHGXUDQBDQD-UHFFFAOYSA-N -1 1 361.423 2.417 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000535616193 562562619 /nfs/dbraw/zinc/56/26/19/562562619.db2.gz IWHATVVKUBUPAD-JTQLQIEISA-N -1 1 365.329 2.355 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000535780712 562567961 /nfs/dbraw/zinc/56/79/61/562567961.db2.gz SAQNJDQCERENDE-UHFFFAOYSA-N -1 1 367.448 2.311 20 0 FEADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(O)c2)ccc1OC ZINC000536495454 562576880 /nfs/dbraw/zinc/57/68/80/562576880.db2.gz BNZMIURGHIVKDP-UHFFFAOYSA-N -1 1 364.423 2.228 20 0 FEADMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cncc(Cl)c1)OCCO2 ZINC000536630598 562580310 /nfs/dbraw/zinc/58/03/10/562580310.db2.gz HLWJSQIZHFRSLM-UHFFFAOYSA-N -1 1 370.770 2.005 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)Cc3ccccc3C(=O)OC)[nH]c21 ZINC000537179713 562587178 /nfs/dbraw/zinc/58/71/78/562587178.db2.gz BQVDNOJIRXGUCA-UHFFFAOYSA-N -1 1 367.361 2.317 20 0 FEADMM O=C(NCc1ccno1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000540847443 562594262 /nfs/dbraw/zinc/59/42/62/562594262.db2.gz QNFKAIBEHGFOLA-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000541331954 562609582 /nfs/dbraw/zinc/60/95/82/562609582.db2.gz QVKULJDFOBLMSH-MRXNPFEDSA-N -1 1 374.485 2.075 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)N1CCCC1 ZINC000545473013 562627708 /nfs/dbraw/zinc/62/77/08/562627708.db2.gz RVVQXIOAHQWHPO-QMMMGPOBSA-N -1 1 369.245 2.422 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cnc4c(c3)CCCC4)cc2N1 ZINC000542001304 562625457 /nfs/dbraw/zinc/62/54/57/562625457.db2.gz GMUODOMUHNFBKD-UHFFFAOYSA-N -1 1 359.407 2.092 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@H]2CCO[C@H](C)C2)no1 ZINC000545805825 562630467 /nfs/dbraw/zinc/63/04/67/562630467.db2.gz PHXVTPVDAUNTHO-RISCZKNCSA-N -1 1 367.409 2.397 20 0 FEADMM Cn1ncc(CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)c1C(F)(F)F ZINC000556063408 674386722 /nfs/dbraw/zinc/38/67/22/674386722.db2.gz BIUXYHXTDOPKEJ-UHFFFAOYSA-N -1 1 371.344 2.198 20 0 FEADMM Cn1ncc(CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)c1C(F)(F)F ZINC000556063408 674386723 /nfs/dbraw/zinc/38/67/23/674386723.db2.gz BIUXYHXTDOPKEJ-UHFFFAOYSA-N -1 1 371.344 2.198 20 0 FEADMM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601686497 567819791 /nfs/dbraw/zinc/81/97/91/567819791.db2.gz ZPZOPQJCUREZTP-JSGCOSHPSA-N -1 1 355.818 2.063 20 0 FEADMM CCOC(=O)[C@]1(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)CCCOC1 ZINC000601860419 567854447 /nfs/dbraw/zinc/85/44/47/567854447.db2.gz OJZADGOEPCVMLR-KRWDZBQOSA-N -1 1 371.817 2.144 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)n[n-]1 ZINC000603013560 568047694 /nfs/dbraw/zinc/04/76/94/568047694.db2.gz CTQNRAWQNSXJCF-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000603013560 568047695 /nfs/dbraw/zinc/04/76/95/568047695.db2.gz CTQNRAWQNSXJCF-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)n[n-]1 ZINC000603153714 568065287 /nfs/dbraw/zinc/06/52/87/568065287.db2.gz JOFYKWUBCWVNJV-RMEHTXHKSA-N -1 1 354.410 2.281 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)[n-]1 ZINC000603153714 568065288 /nfs/dbraw/zinc/06/52/88/568065288.db2.gz JOFYKWUBCWVNJV-RMEHTXHKSA-N -1 1 354.410 2.281 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)n1 ZINC000603153714 568065289 /nfs/dbraw/zinc/06/52/89/568065289.db2.gz JOFYKWUBCWVNJV-RMEHTXHKSA-N -1 1 354.410 2.281 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CCSc3ccccc32)n[n-]1 ZINC000603154932 568068521 /nfs/dbraw/zinc/06/85/21/568068521.db2.gz NAAUAPZXCHSLOD-CMPLNLGQSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CCSc3ccccc32)[n-]1 ZINC000603154932 568068522 /nfs/dbraw/zinc/06/85/22/568068522.db2.gz NAAUAPZXCHSLOD-CMPLNLGQSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CCSc3ccccc32)n1 ZINC000603154932 568068523 /nfs/dbraw/zinc/06/85/23/568068523.db2.gz NAAUAPZXCHSLOD-CMPLNLGQSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2(Cc3ccc(F)cc3)CC2)n[n-]1 ZINC000603156178 568068643 /nfs/dbraw/zinc/06/86/43/568068643.db2.gz QYHIDNZHKILMPK-LLVKDONJSA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2(Cc3ccc(F)cc3)CC2)[n-]1 ZINC000603156178 568068644 /nfs/dbraw/zinc/06/86/44/568068644.db2.gz QYHIDNZHKILMPK-LLVKDONJSA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2(Cc3ccc(F)cc3)CC2)n1 ZINC000603156178 568068645 /nfs/dbraw/zinc/06/86/45/568068645.db2.gz QYHIDNZHKILMPK-LLVKDONJSA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCCc2cc(F)ccc2F)n[n-]1 ZINC000603156210 568068686 /nfs/dbraw/zinc/06/86/86/568068686.db2.gz RAAZBXROVBVOGI-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCCc2cc(F)ccc2F)[n-]1 ZINC000603156210 568068687 /nfs/dbraw/zinc/06/86/87/568068687.db2.gz RAAZBXROVBVOGI-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCCc2cc(F)ccc2F)n1 ZINC000603156210 568068688 /nfs/dbraw/zinc/06/86/88/568068688.db2.gz RAAZBXROVBVOGI-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n[n-]1 ZINC000603159429 568069161 /nfs/dbraw/zinc/06/91/61/568069161.db2.gz BRPHLAYBSFVQNG-LPEHRKFASA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[n-]1 ZINC000603159429 568069162 /nfs/dbraw/zinc/06/91/62/568069162.db2.gz BRPHLAYBSFVQNG-LPEHRKFASA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000603159429 568069163 /nfs/dbraw/zinc/06/91/63/568069163.db2.gz BRPHLAYBSFVQNG-LPEHRKFASA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@]2(C)CCCc3ccccc32)n[n-]1 ZINC000603165972 568070059 /nfs/dbraw/zinc/07/00/59/568070059.db2.gz NGWMYPZNDQWZFY-BUXKBTBVSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@]2(C)CCCc3ccccc32)[n-]1 ZINC000603165972 568070060 /nfs/dbraw/zinc/07/00/60/568070060.db2.gz NGWMYPZNDQWZFY-BUXKBTBVSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@]2(C)CCCc3ccccc32)n1 ZINC000603165972 568070061 /nfs/dbraw/zinc/07/00/61/568070061.db2.gz NGWMYPZNDQWZFY-BUXKBTBVSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603282293 568082486 /nfs/dbraw/zinc/08/24/86/568082486.db2.gz CRVUFMCHISGBSC-HIFRSBDPSA-N -1 1 361.410 2.126 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603282295 568082498 /nfs/dbraw/zinc/08/24/98/568082498.db2.gz CRVUFMCHISGBSC-ZFWWWQNUSA-N -1 1 361.410 2.126 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000563114790 568220681 /nfs/dbraw/zinc/22/06/81/568220681.db2.gz NWTBETKWXNKACT-INIZCTEOSA-N -1 1 352.456 2.089 20 0 FEADMM NC(=O)C1(c2ccccc2)CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000604393357 568283214 /nfs/dbraw/zinc/28/32/14/568283214.db2.gz SIUZHIIIKQEYFR-UHFFFAOYSA-N -1 1 368.462 2.416 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4cncnc4)cc3)ccc2N1 ZINC000605119082 568573620 /nfs/dbraw/zinc/57/36/20/568573620.db2.gz YKQOFEVUNKQWOQ-UHFFFAOYSA-N -1 1 366.402 2.439 20 0 FEADMM Cc1cccc2c1N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000737408646 598843769 /nfs/dbraw/zinc/84/37/69/598843769.db2.gz KRVRYHTZUGCSRI-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM Cc1cccc2c1N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000737408646 598843771 /nfs/dbraw/zinc/84/37/71/598843771.db2.gz KRVRYHTZUGCSRI-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM CN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736777780 598872867 /nfs/dbraw/zinc/87/28/67/598872867.db2.gz CKEBIYSIQKDOAC-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM CN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736777780 598872868 /nfs/dbraw/zinc/87/28/68/598872868.db2.gz CKEBIYSIQKDOAC-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736400900 598874109 /nfs/dbraw/zinc/87/41/09/598874109.db2.gz DAMPSUMUAYVRDJ-JTQLQIEISA-N -1 1 355.851 2.331 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736400900 598874110 /nfs/dbraw/zinc/87/41/10/598874110.db2.gz DAMPSUMUAYVRDJ-JTQLQIEISA-N -1 1 355.851 2.331 20 0 FEADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1 ZINC000820995387 599375745 /nfs/dbraw/zinc/37/57/45/599375745.db2.gz QQJJRNSSWWPMTJ-SECBINFHSA-N -1 1 373.891 2.036 20 0 FEADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1 ZINC000820995387 599375748 /nfs/dbraw/zinc/37/57/48/599375748.db2.gz QQJJRNSSWWPMTJ-SECBINFHSA-N -1 1 373.891 2.036 20 0 FEADMM Cc1cccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)c1 ZINC000737401075 598934847 /nfs/dbraw/zinc/93/48/47/598934847.db2.gz WSKCESYNZFTGGG-UHFFFAOYSA-N -1 1 372.436 2.445 20 0 FEADMM Cc1cccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)c1 ZINC000737401075 598934849 /nfs/dbraw/zinc/93/48/49/598934849.db2.gz WSKCESYNZFTGGG-UHFFFAOYSA-N -1 1 372.436 2.445 20 0 FEADMM c1ccc(N2CCC(Nc3c4ccccc4nnc3-c3nnn[n-]3)CC2)nc1 ZINC000738436069 598937116 /nfs/dbraw/zinc/93/71/16/598937116.db2.gz NNVCADXMNAVHQY-UHFFFAOYSA-N -1 1 373.424 2.286 20 0 FEADMM c1ccc(N2CCC(Nc3c4ccccc4nnc3-c3nn[n-]n3)CC2)nc1 ZINC000738436069 598937118 /nfs/dbraw/zinc/93/71/18/598937118.db2.gz NNVCADXMNAVHQY-UHFFFAOYSA-N -1 1 373.424 2.286 20 0 FEADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021755 598941673 /nfs/dbraw/zinc/94/16/73/598941673.db2.gz PXVAZHATDUDPJK-ZANVPECISA-N -1 1 358.764 2.340 20 0 FEADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021755 598941676 /nfs/dbraw/zinc/94/16/76/598941676.db2.gz PXVAZHATDUDPJK-ZANVPECISA-N -1 1 358.764 2.340 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736747984 598945614 /nfs/dbraw/zinc/94/56/14/598945614.db2.gz VADLHXUZMZNVBL-JGVFFNPUSA-N -1 1 355.855 2.036 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736747984 598945615 /nfs/dbraw/zinc/94/56/15/598945615.db2.gz VADLHXUZMZNVBL-JGVFFNPUSA-N -1 1 355.855 2.036 20 0 FEADMM O=c1[nH]c2c(cc1CNc1c3ccccc3nnc1-c1nnn[n-]1)CCC2 ZINC000738374943 598969917 /nfs/dbraw/zinc/96/99/17/598969917.db2.gz UOLFCBHNHZBWIW-UHFFFAOYSA-N -1 1 360.381 2.011 20 0 FEADMM O=c1[nH]c2c(cc1CNc1c3ccccc3nnc1-c1nn[n-]n1)CCC2 ZINC000738374943 598969919 /nfs/dbraw/zinc/96/99/19/598969919.db2.gz UOLFCBHNHZBWIW-UHFFFAOYSA-N -1 1 360.381 2.011 20 0 FEADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)c1ccccc1 ZINC000736989306 598989875 /nfs/dbraw/zinc/98/98/75/598989875.db2.gz ZKKPYCGXCCGPBA-CYBMUJFWSA-N -1 1 352.398 2.112 20 0 FEADMM COCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)c1ccccc1 ZINC000736989306 598989877 /nfs/dbraw/zinc/98/98/77/598989877.db2.gz ZKKPYCGXCCGPBA-CYBMUJFWSA-N -1 1 352.398 2.112 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737041940 598992604 /nfs/dbraw/zinc/99/26/04/598992604.db2.gz XKGSFXANRCJRLY-LLVKDONJSA-N -1 1 368.397 2.078 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737041940 598992605 /nfs/dbraw/zinc/99/26/05/598992605.db2.gz XKGSFXANRCJRLY-LLVKDONJSA-N -1 1 368.397 2.078 20 0 FEADMM O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738175663 599002967 /nfs/dbraw/zinc/00/29/67/599002967.db2.gz ZDLVQPJIVSZSSB-UHFFFAOYSA-N -1 1 351.370 2.230 20 0 FEADMM O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738175663 599002968 /nfs/dbraw/zinc/00/29/68/599002968.db2.gz ZDLVQPJIVSZSSB-UHFFFAOYSA-N -1 1 351.370 2.230 20 0 FEADMM CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735664540 599023227 /nfs/dbraw/zinc/02/32/27/599023227.db2.gz KSBLHFMQNUBTMR-CYBMUJFWSA-N -1 1 366.429 2.021 20 0 FEADMM CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735664540 599023229 /nfs/dbraw/zinc/02/32/29/599023229.db2.gz KSBLHFMQNUBTMR-CYBMUJFWSA-N -1 1 366.429 2.021 20 0 FEADMM O=C(Nc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738147390 599024616 /nfs/dbraw/zinc/02/46/16/599024616.db2.gz VLBJRZHSXAHKHB-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Nc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738147390 599024617 /nfs/dbraw/zinc/02/46/17/599024617.db2.gz VLBJRZHSXAHKHB-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737153422 599026962 /nfs/dbraw/zinc/02/69/62/599026962.db2.gz SVVRCASTJWTZMY-OAHLLOKOSA-N -1 1 364.409 2.118 20 0 FEADMM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737153422 599026964 /nfs/dbraw/zinc/02/69/64/599026964.db2.gz SVVRCASTJWTZMY-OAHLLOKOSA-N -1 1 364.409 2.118 20 0 FEADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737153421 599027331 /nfs/dbraw/zinc/02/73/31/599027331.db2.gz SVVRCASTJWTZMY-HNNXBMFYSA-N -1 1 364.409 2.118 20 0 FEADMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737153421 599027333 /nfs/dbraw/zinc/02/73/33/599027333.db2.gz SVVRCASTJWTZMY-HNNXBMFYSA-N -1 1 364.409 2.118 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000822492196 599047377 /nfs/dbraw/zinc/04/73/77/599047377.db2.gz VBBQFIDJXCVXJY-ZCFIWIBFSA-N -1 1 352.855 2.370 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000822492196 599047380 /nfs/dbraw/zinc/04/73/80/599047380.db2.gz VBBQFIDJXCVXJY-ZCFIWIBFSA-N -1 1 352.855 2.370 20 0 FEADMM C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820697326 599337795 /nfs/dbraw/zinc/33/77/95/599337795.db2.gz GBHRWQFFKBOBDA-QWRGUYRKSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820697326 599337797 /nfs/dbraw/zinc/33/77/97/599337797.db2.gz GBHRWQFFKBOBDA-QWRGUYRKSA-N -1 1 353.423 2.205 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000818521997 597087828 /nfs/dbraw/zinc/08/78/28/597087828.db2.gz GLCHSQWOADAQLH-UONOGXRCSA-N -1 1 362.426 2.295 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738258140 599261679 /nfs/dbraw/zinc/26/16/79/599261679.db2.gz FLNQBTNKRQSPPZ-OAHLLOKOSA-N -1 1 352.423 2.192 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738258140 599261681 /nfs/dbraw/zinc/26/16/81/599261681.db2.gz FLNQBTNKRQSPPZ-OAHLLOKOSA-N -1 1 352.423 2.192 20 0 FEADMM Cc1ccsc1-c1nnc(NC(=O)CNC2(C(=O)[O-])CCCC2)o1 ZINC000821136266 597417029 /nfs/dbraw/zinc/41/70/29/597417029.db2.gz PJIQBSHVBCGMKO-UHFFFAOYSA-N -1 1 350.400 2.032 20 0 FEADMM Cc1ccsc1-c1nnc(NC(=O)CNC2(C(=O)[O-])CCCCC2)o1 ZINC000821136259 597423958 /nfs/dbraw/zinc/42/39/58/597423958.db2.gz ONHXXUFIWZUURF-UHFFFAOYSA-N -1 1 364.427 2.422 20 0 FEADMM Cc1[nH]c(SCC(=O)N2CC[C@H](C(=O)[O-])C2)nc1Cc1ccccc1 ZINC000818758849 597499614 /nfs/dbraw/zinc/49/96/14/597499614.db2.gz STQUIGZXJPSSDR-AWEZNQCLSA-N -1 1 359.451 2.334 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807707486 674424906 /nfs/dbraw/zinc/42/49/06/674424906.db2.gz SDGNHTMALWEKGU-PPCPHDFISA-N -1 1 350.381 2.106 20 0 FEADMM C[C@H]1CCN(C(=O)C[C@H]2CCCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807706756 674424912 /nfs/dbraw/zinc/42/49/12/674424912.db2.gz ZERKHHPPTZYLAC-FMSGJZPZSA-N -1 1 350.381 2.250 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000821070250 598173976 /nfs/dbraw/zinc/17/39/76/598173976.db2.gz SMKQYGUOLSRBMD-QGZVFWFLSA-N -1 1 369.421 2.051 20 0 FEADMM CC(C)[C@@H](NCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000820041627 598188214 /nfs/dbraw/zinc/18/82/14/598188214.db2.gz LOEFDTOEPUQCNN-LJQANCHMSA-N -1 1 355.438 2.482 20 0 FEADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)c1 ZINC000820849350 598189902 /nfs/dbraw/zinc/18/99/02/598189902.db2.gz BQPJKWNJZPGTTR-CRAIPNDOSA-N -1 1 364.442 2.066 20 0 FEADMM O=C([O-])CSCC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000263415252 598200672 /nfs/dbraw/zinc/20/06/72/598200672.db2.gz JTSSOUJAEUGZDB-ZDUSSCGKSA-N -1 1 366.487 2.376 20 0 FEADMM COCC[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736980131 598231064 /nfs/dbraw/zinc/23/10/64/598231064.db2.gz WGBUAFHDRMPGIM-SECBINFHSA-N -1 1 362.459 2.016 20 0 FEADMM CC(C)(C)c1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735652900 598258795 /nfs/dbraw/zinc/25/87/95/598258795.db2.gz XNHTXGWRKRWRIG-UHFFFAOYSA-N -1 1 359.411 2.327 20 0 FEADMM CC(C)(C)c1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735652900 598258796 /nfs/dbraw/zinc/25/87/96/598258796.db2.gz XNHTXGWRKRWRIG-UHFFFAOYSA-N -1 1 359.411 2.327 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1cnc(-c2nnn[n-]2)cn1 ZINC000737522930 598385238 /nfs/dbraw/zinc/38/52/38/598385238.db2.gz OKBMMZLDBMUTHT-UHFFFAOYSA-N -1 1 361.413 2.130 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1cnc(-c2nn[n-]n2)cn1 ZINC000737522930 598385239 /nfs/dbraw/zinc/38/52/39/598385239.db2.gz OKBMMZLDBMUTHT-UHFFFAOYSA-N -1 1 361.413 2.130 20 0 FEADMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000736570589 598547967 /nfs/dbraw/zinc/54/79/67/598547967.db2.gz ZOGYOODRLKLNNV-UHFFFAOYSA-N -1 1 370.438 2.050 20 0 FEADMM COCC(=O)Nc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736966514 598573077 /nfs/dbraw/zinc/57/30/77/598573077.db2.gz SJALECQYXPYLDS-UHFFFAOYSA-N -1 1 373.804 2.112 20 0 FEADMM COCC(=O)Nc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736966514 598573079 /nfs/dbraw/zinc/57/30/79/598573079.db2.gz SJALECQYXPYLDS-UHFFFAOYSA-N -1 1 373.804 2.112 20 0 FEADMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736831712 598591018 /nfs/dbraw/zinc/59/10/18/598591018.db2.gz RJDCLWWCKFBGBU-UHFFFAOYSA-N -1 1 374.817 2.262 20 0 FEADMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736831712 598591019 /nfs/dbraw/zinc/59/10/19/598591019.db2.gz RJDCLWWCKFBGBU-UHFFFAOYSA-N -1 1 374.817 2.262 20 0 FEADMM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737422060 598687074 /nfs/dbraw/zinc/68/70/74/598687074.db2.gz ODQOFFQUXSPYCG-LLVKDONJSA-N -1 1 361.402 2.354 20 0 FEADMM CC(C)CCN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735804332 598687512 /nfs/dbraw/zinc/68/75/12/598687512.db2.gz QHAHZFOLEMZSRY-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM CCOCC(C)(C)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000808360754 674456227 /nfs/dbraw/zinc/45/62/27/674456227.db2.gz TUTFAMBZUIYHFN-UHFFFAOYSA-N -1 1 367.412 2.149 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1OC ZINC000808124323 674442836 /nfs/dbraw/zinc/44/28/36/674442836.db2.gz QQQUWATZIPUHIX-UHFFFAOYSA-N -1 1 363.391 2.483 20 0 FEADMM CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735734620 598796489 /nfs/dbraw/zinc/79/64/89/598796489.db2.gz IEPQDDXGROAIBD-INIZCTEOSA-N -1 1 372.454 2.280 20 0 FEADMM CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735734620 598796490 /nfs/dbraw/zinc/79/64/90/598796490.db2.gz IEPQDDXGROAIBD-INIZCTEOSA-N -1 1 372.454 2.280 20 0 FEADMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820703645 599334582 /nfs/dbraw/zinc/33/45/82/599334582.db2.gz JFQSDFXIPZOBSO-ZYHUDNBSSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820703645 599334583 /nfs/dbraw/zinc/33/45/83/599334583.db2.gz JFQSDFXIPZOBSO-ZYHUDNBSSA-N -1 1 353.423 2.205 20 0 FEADMM CN(Cc1ccsc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821615611 599335825 /nfs/dbraw/zinc/33/58/25/599335825.db2.gz FKUOAKQPNDVKII-UHFFFAOYSA-N -1 1 369.859 2.402 20 0 FEADMM CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820989282 599339580 /nfs/dbraw/zinc/33/95/80/599339580.db2.gz PRZMMCSLCQLDGH-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CC(C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820046287 599359379 /nfs/dbraw/zinc/35/93/79/599359379.db2.gz RHQCDSASGPSVAR-UHFFFAOYSA-N -1 1 353.423 2.063 20 0 FEADMM Cn1ccnc1[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000737614916 599400073 /nfs/dbraw/zinc/40/00/73/599400073.db2.gz CBRZTQQQGULBFA-HNNXBMFYSA-N -1 1 350.361 2.336 20 0 FEADMM Cn1ccnc1[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000737614916 599400077 /nfs/dbraw/zinc/40/00/77/599400077.db2.gz CBRZTQQQGULBFA-HNNXBMFYSA-N -1 1 350.361 2.336 20 0 FEADMM c1cnc(-c2nnn[n-]2)c(Nc2ccc(OCC3CCOCC3)cc2)n1 ZINC000738445605 599474224 /nfs/dbraw/zinc/47/42/24/599474224.db2.gz JNWJWPVEGRIRMQ-UHFFFAOYSA-N -1 1 353.386 2.206 20 0 FEADMM c1cnc(-c2nn[n-]n2)c(Nc2ccc(OCC3CCOCC3)cc2)n1 ZINC000738445605 599474227 /nfs/dbraw/zinc/47/42/27/599474227.db2.gz JNWJWPVEGRIRMQ-UHFFFAOYSA-N -1 1 353.386 2.206 20 0 FEADMM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821320122 599492937 /nfs/dbraw/zinc/49/29/37/599492937.db2.gz KZTGSKYSJGCBPV-CQSZACIVSA-N -1 1 374.401 2.019 20 0 FEADMM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821320122 599492938 /nfs/dbraw/zinc/49/29/38/599492938.db2.gz KZTGSKYSJGCBPV-CQSZACIVSA-N -1 1 374.401 2.019 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821575464 599559835 /nfs/dbraw/zinc/55/98/35/599559835.db2.gz CQCAJYBATBYFDY-OLZOCXBDSA-N -1 1 365.441 2.474 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821575464 599559838 /nfs/dbraw/zinc/55/98/38/599559838.db2.gz CQCAJYBATBYFDY-OLZOCXBDSA-N -1 1 365.441 2.474 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821575463 599559888 /nfs/dbraw/zinc/55/98/88/599559888.db2.gz CQCAJYBATBYFDY-CHWSQXEVSA-N -1 1 365.441 2.474 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821575463 599559889 /nfs/dbraw/zinc/55/98/89/599559889.db2.gz CQCAJYBATBYFDY-CHWSQXEVSA-N -1 1 365.441 2.474 20 0 FEADMM C[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820275396 599568052 /nfs/dbraw/zinc/56/80/52/599568052.db2.gz PLTMCKURVBOUQZ-NSHDSACASA-N -1 1 355.402 2.011 20 0 FEADMM C[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820275396 599568055 /nfs/dbraw/zinc/56/80/55/599568055.db2.gz PLTMCKURVBOUQZ-NSHDSACASA-N -1 1 355.402 2.011 20 0 FEADMM Cc1cnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000822394754 599651232 /nfs/dbraw/zinc/65/12/32/599651232.db2.gz GLJVQNCEQKPKBL-UHFFFAOYSA-N -1 1 354.326 2.212 20 0 FEADMM Cc1cnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000822394754 599651233 /nfs/dbraw/zinc/65/12/33/599651233.db2.gz GLJVQNCEQKPKBL-UHFFFAOYSA-N -1 1 354.326 2.212 20 0 FEADMM COc1ccc([C@H](CNC(=O)CCCNC(=O)[O-])N2CCCCC2)cc1 ZINC000737957355 599710202 /nfs/dbraw/zinc/71/02/02/599710202.db2.gz KCDXUJDGKLOAMY-KRWDZBQOSA-N -1 1 363.458 2.386 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000739452071 599779431 /nfs/dbraw/zinc/77/94/31/599779431.db2.gz TUOSLYCBIPXCPI-SFHVURJKSA-N -1 1 365.389 2.414 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000737123527 599780102 /nfs/dbraw/zinc/78/01/02/599780102.db2.gz WEULLTJWIRUCLA-OAHLLOKOSA-N -1 1 360.458 2.157 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 ZINC000326589809 599780873 /nfs/dbraw/zinc/78/08/73/599780873.db2.gz CQHQISDQEJOUTF-CYBMUJFWSA-N -1 1 372.874 2.287 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)c1 ZINC000738143562 599804698 /nfs/dbraw/zinc/80/46/98/599804698.db2.gz QNZBBEPINIYPBH-UHFFFAOYSA-N -1 1 356.382 2.143 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812286 599827441 /nfs/dbraw/zinc/82/74/41/599827441.db2.gz VNKVUCLXJWWCKP-GASCZTMLSA-N -1 1 363.458 2.325 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000736653271 599884239 /nfs/dbraw/zinc/88/42/39/599884239.db2.gz XNJLDLWUAHGHEU-LLVKDONJSA-N -1 1 367.361 2.123 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1C ZINC000737713290 599905387 /nfs/dbraw/zinc/90/53/87/599905387.db2.gz NPRZFUWEAAAHTH-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM CCCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000320265571 600053078 /nfs/dbraw/zinc/05/30/78/600053078.db2.gz DCKPHSVLLINWMW-UHFFFAOYSA-N -1 1 356.425 2.360 20 0 FEADMM O=C([O-])c1ccc2c(c1)CN(CCC(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000739249691 600083217 /nfs/dbraw/zinc/08/32/17/600083217.db2.gz ZYYGIKRDWIXBPK-UHFFFAOYSA-N -1 1 354.362 2.458 20 0 FEADMM COc1ccc2c(c1)[nH]cc(C(=O)N1Cc3ccc(C(=O)[O-])cc3C1)c2=O ZINC000738072793 600103567 /nfs/dbraw/zinc/10/35/67/600103567.db2.gz QQYVDUPEYCEHEV-UHFFFAOYSA-N -1 1 364.357 2.391 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)c2c[nH]c3ccccc3c2=O)C(=O)[O-])cc1 ZINC000738558488 600160379 /nfs/dbraw/zinc/16/03/79/600160379.db2.gz CHWXRRMSPBMLMA-OAHLLOKOSA-N -1 1 350.374 2.435 20 0 FEADMM Cc1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000738570087 600170620 /nfs/dbraw/zinc/17/06/20/600170620.db2.gz OEAXEZWHPGDXMN-LBPRGKRZSA-N -1 1 355.362 2.420 20 0 FEADMM O=C([O-])[C@H](CNC(=O)c1cc(F)cc2nc[nH]c21)Cc1ccc(O)cc1 ZINC000739396859 600173084 /nfs/dbraw/zinc/17/30/84/600173084.db2.gz KPCWQIPDWAGIJU-NSHDSACASA-N -1 1 357.341 2.081 20 0 FEADMM Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738290738 600254876 /nfs/dbraw/zinc/25/48/76/600254876.db2.gz VWHAVFGAHDIBTJ-QFIPXVFZSA-N -1 1 373.477 2.434 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000737688175 600290849 /nfs/dbraw/zinc/29/08/49/600290849.db2.gz JPCSMAPKNHCWNK-DZGCQCFKSA-N -1 1 374.437 2.295 20 0 FEADMM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736207846 600292255 /nfs/dbraw/zinc/29/22/55/600292255.db2.gz JUUOZTRUBFFKGG-VNQPRFMTSA-N -1 1 358.438 2.202 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737205821 600294083 /nfs/dbraw/zinc/29/40/83/600294083.db2.gz RVHYAFSJDVPXST-QGZVFWFLSA-N -1 1 360.454 2.230 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738121378 600297475 /nfs/dbraw/zinc/29/74/75/600297475.db2.gz QOQQZXDBEBOGMG-HOCLYGCPSA-N -1 1 360.454 2.401 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(CNC(=O)[O-])cc3)cc12 ZINC000738956058 600302742 /nfs/dbraw/zinc/30/27/42/600302742.db2.gz ZGBLKHVLAXHVCH-UHFFFAOYSA-N -1 1 362.367 2.100 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)CC2 ZINC000739525176 600340430 /nfs/dbraw/zinc/34/04/30/600340430.db2.gz JAGBWXGRCJLYTL-GJZGRUSLSA-N -1 1 361.442 2.313 20 0 FEADMM COc1cccc(CC(=O)N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738096025 600401785 /nfs/dbraw/zinc/40/17/85/600401785.db2.gz LSUOFHOHCVWAKJ-FQEVSTJZSA-N -1 1 368.433 2.208 20 0 FEADMM COc1ccccc1[C@H]1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000738131253 600442631 /nfs/dbraw/zinc/44/26/31/600442631.db2.gz WZXUYVPRIDHTQU-HNNXBMFYSA-N -1 1 360.454 2.388 20 0 FEADMM CC(C)n1c2ccccc2nc1[C@H]1CCCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736210214 600443322 /nfs/dbraw/zinc/44/33/22/600443322.db2.gz WZOPJVREMNSVTM-GJZGRUSLSA-N -1 1 372.469 2.386 20 0 FEADMM CCc1cc(CNC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)n[nH]1 ZINC000737254646 600498250 /nfs/dbraw/zinc/49/82/50/600498250.db2.gz RMUXSMWYXVQDGC-UHFFFAOYSA-N -1 1 367.409 2.420 20 0 FEADMM Cc1ccc([C@@H](C)NC(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)cc1C ZINC000738553937 600514917 /nfs/dbraw/zinc/51/49/17/600514917.db2.gz XBRLDPICIIGYLO-SJLPKXTDSA-N -1 1 362.470 2.436 20 0 FEADMM CC[C@](C)(NCC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000094229163 600562019 /nfs/dbraw/zinc/56/20/19/600562019.db2.gz LTVFKZWDRCPTPJ-BMIGLBTASA-N -1 1 357.248 2.469 20 0 FEADMM CN(C)c1cccc([C@@H]2CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000737387376 600564960 /nfs/dbraw/zinc/56/49/60/600564960.db2.gz XVNSFKGCCUIGDW-SFHVURJKSA-N -1 1 359.470 2.213 20 0 FEADMM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000736616817 600595335 /nfs/dbraw/zinc/59/53/35/600595335.db2.gz MFISOCBDQVBDKP-IIAWOOMASA-N -1 1 350.484 2.220 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000736469039 600609032 /nfs/dbraw/zinc/60/90/32/600609032.db2.gz VAYJZZZJDZULCM-HNNXBMFYSA-N -1 1 373.862 2.311 20 0 FEADMM COCCN(CCC(=O)[O-])Cc1cn2cc(Br)ccc2n1 ZINC000737794592 600641808 /nfs/dbraw/zinc/64/18/08/600641808.db2.gz PMVNETGUGZYWNU-UHFFFAOYSA-N -1 1 356.220 2.020 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2)CC1 ZINC000737529504 600661438 /nfs/dbraw/zinc/66/14/38/600661438.db2.gz YLPVXTNAFRQFON-DLBZAZTESA-N -1 1 359.470 2.264 20 0 FEADMM COC(=O)N(C)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000831198578 600678355 /nfs/dbraw/zinc/67/83/55/600678355.db2.gz NVBMONDAFFORBF-UHFFFAOYSA-N -1 1 370.408 2.450 20 0 FEADMM O=C([O-])[C@H]1CCCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000635507302 600727262 /nfs/dbraw/zinc/72/72/62/600727262.db2.gz IJINJQMETYAJHD-HNNXBMFYSA-N -1 1 363.433 2.296 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)[nH]c2c1 ZINC000832959235 600730309 /nfs/dbraw/zinc/73/03/09/600730309.db2.gz SLRSSFKGPSZHQK-OAHLLOKOSA-N -1 1 374.422 2.423 20 0 FEADMM CN(c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1)S(C)(=O)=O ZINC000830882696 600748475 /nfs/dbraw/zinc/74/84/75/600748475.db2.gz CDNCUAJCAWDULN-INIZCTEOSA-N -1 1 366.414 2.137 20 0 FEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000830856201 600786504 /nfs/dbraw/zinc/78/65/04/600786504.db2.gz KTHRHNVDQXYYTC-QGZVFWFLSA-N -1 1 374.462 2.280 20 0 FEADMM CCOC[C@@H]1CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829984834 600797335 /nfs/dbraw/zinc/79/73/35/600797335.db2.gz ROWPTWFJZSFPSY-TZMCWYRMSA-N -1 1 352.456 2.300 20 0 FEADMM Cc1nnc(SCCC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])[nH]1 ZINC000833021955 600979543 /nfs/dbraw/zinc/97/95/43/600979543.db2.gz UCEFEMBZXBQDLL-ZIAGYGMSSA-N -1 1 366.487 2.477 20 0 FEADMM COC(=O)c1cc(NC(=O)c2c(C)n[nH]c2C(F)(F)F)cc(C(=O)[O-])c1 ZINC000831306105 601079887 /nfs/dbraw/zinc/07/98/87/601079887.db2.gz MGEPQBZCPBLSPP-UHFFFAOYSA-N -1 1 371.271 2.474 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)CC1 ZINC000827356166 601090402 /nfs/dbraw/zinc/09/04/02/601090402.db2.gz PZOJUYJAEFJVMX-CFHLNLSMSA-N -1 1 365.499 2.461 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000630226561 601090408 /nfs/dbraw/zinc/09/04/08/601090408.db2.gz YZVVCJLNMRRDQN-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222303 601105306 /nfs/dbraw/zinc/10/53/06/601105306.db2.gz GJZOLDMNRBRZSP-RYUDHWBXSA-N -1 1 372.824 2.254 20 0 FEADMM CC(C)(C)c1nc([C@@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)n[nH]1 ZINC000736300182 601106448 /nfs/dbraw/zinc/10/64/48/601106448.db2.gz XJHNLPWJGRCFSE-KBPBESRZSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)[nH]1 ZINC000736300182 601106449 /nfs/dbraw/zinc/10/64/49/601106449.db2.gz XJHNLPWJGRCFSE-KBPBESRZSA-N -1 1 362.405 2.441 20 0 FEADMM COc1c(Cl)cccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000831851863 601130800 /nfs/dbraw/zinc/13/08/00/601130800.db2.gz LGYICXLGAVXXSJ-LLVKDONJSA-N -1 1 355.822 2.361 20 0 FEADMM CC(C)COc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cn1 ZINC000826905089 601133742 /nfs/dbraw/zinc/13/37/42/601133742.db2.gz AKECEIGFKKKILP-CQSZACIVSA-N -1 1 364.446 2.129 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1OC 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ZINC000832030219 604746789 /nfs/dbraw/zinc/74/67/89/604746789.db2.gz HMWHTUDLFYABGA-SNVBAGLBSA-N -1 1 370.833 2.481 20 0 FEADMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000675277896 604769774 /nfs/dbraw/zinc/76/97/74/604769774.db2.gz RKXMOLZMRSWCHC-UHFFFAOYSA-N -1 1 368.436 2.271 20 0 FEADMM Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830705156 604773575 /nfs/dbraw/zinc/77/35/75/604773575.db2.gz XKSBNTHIHHLNBJ-LLVKDONJSA-N -1 1 368.503 2.222 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000833665561 604810563 /nfs/dbraw/zinc/81/05/63/604810563.db2.gz HUVDZABUEQILBA-UHFFFAOYSA-N -1 1 363.391 2.065 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000827368542 604849443 /nfs/dbraw/zinc/84/94/43/604849443.db2.gz FQWGWRGSDITVTC-AWEZNQCLSA-N -1 1 369.425 2.156 20 0 FEADMM O=C([O-])c1cncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000325088435 604889329 /nfs/dbraw/zinc/88/93/29/604889329.db2.gz JPGQGLKOAPSUJS-UHFFFAOYSA-N -1 1 362.285 2.479 20 0 FEADMM C[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825107756 604896043 /nfs/dbraw/zinc/89/60/43/604896043.db2.gz IAQSWAVEDPRPOL-MWLCHTKSSA-N -1 1 366.805 2.162 20 0 FEADMM CN(C(=O)c1csc(CNC(=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000827951248 604899538 /nfs/dbraw/zinc/89/95/38/604899538.db2.gz VJDBPXJSKYWCBK-CQSZACIVSA-N -1 1 374.466 2.257 20 0 FEADMM CCc1cc(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)n[nH]1 ZINC000830218920 604911186 /nfs/dbraw/zinc/91/11/86/604911186.db2.gz ZBIBHMLDZCGUQP-UHFFFAOYSA-N -1 1 352.778 2.411 20 0 FEADMM O=C([O-])[C@H](NCc1cc2c(c(Br)c1)OCO2)c1cccnc1 ZINC000833165789 604996648 /nfs/dbraw/zinc/99/66/48/604996648.db2.gz LQGVXUPXXNHYRC-CYBMUJFWSA-N -1 1 365.183 2.488 20 0 FEADMM CC(C)Oc1cccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833507613 605044964 /nfs/dbraw/zinc/04/49/64/605044964.db2.gz XJCORIOHDFLIDU-HNNXBMFYSA-N -1 1 363.458 2.164 20 0 FEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596792 605047430 /nfs/dbraw/zinc/04/74/30/605047430.db2.gz GDPSLNPLQQKASA-ZBFHGGJFSA-N -1 1 374.462 2.326 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000833626899 605052934 /nfs/dbraw/zinc/05/29/34/605052934.db2.gz SWYXYZRXFGGAKV-CQSZACIVSA-N -1 1 363.433 2.048 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCSCc1ccccc1 ZINC000833621994 605135373 /nfs/dbraw/zinc/13/53/73/605135373.db2.gz DCOYCXIHOVILJX-OAHLLOKOSA-N -1 1 365.499 2.110 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cn1 ZINC000833733326 605150570 /nfs/dbraw/zinc/15/05/70/605150570.db2.gz NZYGDKIPJPHEGO-UHFFFAOYSA-N -1 1 359.363 2.137 20 0 FEADMM C[C@@](CNC(=O)[O-])(NCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000824953732 605167790 /nfs/dbraw/zinc/16/77/90/605167790.db2.gz WOCKYAHUYZUADZ-HNNXBMFYSA-N -1 1 360.863 2.140 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000833629643 605200091 /nfs/dbraw/zinc/20/00/91/605200091.db2.gz YZKCVCZAKNOAQR-LBPRGKRZSA-N -1 1 373.375 2.125 20 0 FEADMM C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCN1CCC(=O)[O-] ZINC000833618399 605251211 /nfs/dbraw/zinc/25/12/11/605251211.db2.gz NJEQQCRFEKKKFS-ZDUSSCGKSA-N -1 1 350.846 2.379 20 0 FEADMM O=C([O-])N1CC[C@H](C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834070509 605375411 /nfs/dbraw/zinc/37/54/11/605375411.db2.gz AVWGCNAXJBOHNL-GJZGRUSLSA-N -1 1 369.425 2.178 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3cc(F)cc(F)c3)C[C@@H]21 ZINC000834187660 605433206 /nfs/dbraw/zinc/43/32/06/605433206.db2.gz LDEOCCQGRGEYHC-WKPIXPDZSA-N -1 1 353.369 2.271 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3cc(F)cc(F)c3)C[C@H]21 ZINC000834187659 605433887 /nfs/dbraw/zinc/43/38/87/605433887.db2.gz LDEOCCQGRGEYHC-VCTAVGKDSA-N -1 1 353.369 2.271 20 0 FEADMM CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnc(CNC(=O)[O-])[n-]2)cc1 ZINC000826922328 605436376 /nfs/dbraw/zinc/43/63/76/605436376.db2.gz WURYXMWVSUQKLE-CQSZACIVSA-N -1 1 372.429 2.052 20 0 FEADMM C[C@@H](CNC(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000833814133 605491341 /nfs/dbraw/zinc/49/13/41/605491341.db2.gz COSCWAVJYQOWKX-YQQAZPJKSA-N -1 1 374.485 2.121 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000833907257 605558935 /nfs/dbraw/zinc/55/89/35/605558935.db2.gz FAXSMWJMIHINGA-LSDHHAIUSA-N -1 1 365.499 2.181 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000833627512 605634634 /nfs/dbraw/zinc/63/46/34/605634634.db2.gz XBWWWMIRSWNPBH-QAPCUYQASA-N -1 1 360.454 2.202 20 0 FEADMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000833454765 605700364 /nfs/dbraw/zinc/70/03/64/605700364.db2.gz OKPHMJAOPRZJBF-UHFFFAOYSA-N -1 1 360.414 2.229 20 0 FEADMM O=C([O-])N1CC[C@H](NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000831954048 605860050 /nfs/dbraw/zinc/86/00/50/605860050.db2.gz XNVLDYWALHONHW-WCQYABFASA-N -1 1 352.740 2.432 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCCc1ccc(F)cc1 ZINC000832234838 605938353 /nfs/dbraw/zinc/93/83/53/605938353.db2.gz KPMPIYQMILQCGR-ALOPSCKCSA-N -1 1 363.433 2.138 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)CCOC3CN(C(=O)[O-])C3)[nH]c2c1 ZINC000833907850 606082364 /nfs/dbraw/zinc/08/23/64/606082364.db2.gz VPSSAHRZZCAEBD-INIZCTEOSA-N -1 1 372.425 2.304 20 0 FEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834087501 606093917 /nfs/dbraw/zinc/09/39/17/606093917.db2.gz GQIDXPGPBVCIDP-ZIAGYGMSSA-N -1 1 373.457 2.168 20 0 FEADMM C[C@@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2)N1CCCCCC1 ZINC000833788954 606105961 /nfs/dbraw/zinc/10/59/61/606105961.db2.gz FCRXNNLGBDUSHS-DZGCQCFKSA-N -1 1 360.458 2.410 20 0 FEADMM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC000820698680 606135508 /nfs/dbraw/zinc/13/55/08/606135508.db2.gz VYOJVGDABCHBAW-GMTAPVOTSA-N -1 1 363.443 2.026 20 0 FEADMM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC000820698680 606135509 /nfs/dbraw/zinc/13/55/09/606135509.db2.gz VYOJVGDABCHBAW-GMTAPVOTSA-N -1 1 363.443 2.026 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC1CCC(C)CC1 ZINC000820689902 606137869 /nfs/dbraw/zinc/13/78/69/606137869.db2.gz DJQPLCXINMXNLM-YVNMAJEFSA-N -1 1 363.443 2.168 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC1CCC(C)CC1 ZINC000820689902 606137870 /nfs/dbraw/zinc/13/78/70/606137870.db2.gz DJQPLCXINMXNLM-YVNMAJEFSA-N -1 1 363.443 2.168 20 0 FEADMM C[C@@H]1c2ccccc2CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820826558 606144680 /nfs/dbraw/zinc/14/46/80/606144680.db2.gz NQXZKJUYKXPRPI-SNVBAGLBSA-N -1 1 359.386 2.271 20 0 FEADMM CCCN(Cc1ccccc1F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821109239 606162623 /nfs/dbraw/zinc/16/26/23/606162623.db2.gz DLTFIPSFNXNNJI-UHFFFAOYSA-N -1 1 358.381 2.183 20 0 FEADMM CCCN(Cc1ccccc1F)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821109239 606162625 /nfs/dbraw/zinc/16/26/25/606162625.db2.gz DLTFIPSFNXNNJI-UHFFFAOYSA-N -1 1 358.381 2.183 20 0 FEADMM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821610770 606166706 /nfs/dbraw/zinc/16/67/06/606166706.db2.gz DUYZWRZYDOTJMJ-UHFFFAOYSA-N -1 1 364.772 2.057 20 0 FEADMM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821610770 606166708 /nfs/dbraw/zinc/16/67/08/606166708.db2.gz DUYZWRZYDOTJMJ-UHFFFAOYSA-N -1 1 364.772 2.057 20 0 FEADMM COc1ccc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000821791008 606194930 /nfs/dbraw/zinc/19/49/30/606194930.db2.gz ZAJFAHKMLXDLTO-UHFFFAOYSA-N -1 1 369.381 2.161 20 0 FEADMM Clc1nsc(N2CCC(OC[C@@H]3CCCO3)CC2)c1-c1nnn[n-]1 ZINC000822591598 606231391 /nfs/dbraw/zinc/23/13/91/606231391.db2.gz WOOGPBRDKUKRQY-JTQLQIEISA-N -1 1 370.866 2.141 20 0 FEADMM Clc1nsc(N2CCC(OC[C@@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC000822591598 606231393 /nfs/dbraw/zinc/23/13/93/606231393.db2.gz WOOGPBRDKUKRQY-JTQLQIEISA-N -1 1 370.866 2.141 20 0 FEADMM O=C(CSCC(=O)c1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823054872 606297936 /nfs/dbraw/zinc/29/79/36/606297936.db2.gz GDGNZTULAWPFKK-UHFFFAOYSA-N -1 1 369.406 2.127 20 0 FEADMM CCOC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)o1 ZINC000821343852 606429051 /nfs/dbraw/zinc/42/90/51/606429051.db2.gz WFASMHJOGYLVCR-UHFFFAOYSA-N -1 1 365.353 2.192 20 0 FEADMM CCOC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)o1 ZINC000821343852 606429053 /nfs/dbraw/zinc/42/90/53/606429053.db2.gz WFASMHJOGYLVCR-UHFFFAOYSA-N -1 1 365.353 2.192 20 0 FEADMM Clc1ccc(NCc2cccnc2-n2ccnc2)nc1-c1nnn[n-]1 ZINC000822578584 606450524 /nfs/dbraw/zinc/45/05/24/606450524.db2.gz LAGDILYLFIBTJV-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2cccnc2-n2ccnc2)nc1-c1nn[n-]n1 ZINC000822578584 606450525 /nfs/dbraw/zinc/45/05/25/606450525.db2.gz LAGDILYLFIBTJV-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823421542 606497682 /nfs/dbraw/zinc/49/76/82/606497682.db2.gz BTQQENLBHOKURT-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823421542 606497684 /nfs/dbraw/zinc/49/76/84/606497684.db2.gz BTQQENLBHOKURT-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821197193 606526589 /nfs/dbraw/zinc/52/65/89/606526589.db2.gz GZSZBYKGQLRWNC-UHFFFAOYSA-N -1 1 357.443 2.099 20 0 FEADMM COC(=O)COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000821662694 606529315 /nfs/dbraw/zinc/52/93/15/606529315.db2.gz OKGLQIWHOOTSBS-UHFFFAOYSA-N -1 1 373.394 2.041 20 0 FEADMM COC(=O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000821662694 606529318 /nfs/dbraw/zinc/52/93/18/606529318.db2.gz OKGLQIWHOOTSBS-UHFFFAOYSA-N -1 1 373.394 2.041 20 0 FEADMM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823364056 606529993 /nfs/dbraw/zinc/52/99/93/606529993.db2.gz XKODXBBZCYTYNS-UHFFFAOYSA-N -1 1 353.367 2.072 20 0 FEADMM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823364056 606529994 /nfs/dbraw/zinc/52/99/94/606529994.db2.gz XKODXBBZCYTYNS-UHFFFAOYSA-N -1 1 353.367 2.072 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nnc2ccccn21 ZINC000820027893 606545179 /nfs/dbraw/zinc/54/51/79/606545179.db2.gz VITUDJPUJUBXSM-ZDUSSCGKSA-N -1 1 368.426 2.098 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nnc2ccccn21 ZINC000820027893 606545181 /nfs/dbraw/zinc/54/51/81/606545181.db2.gz VITUDJPUJUBXSM-ZDUSSCGKSA-N -1 1 368.426 2.098 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000823484233 606548451 /nfs/dbraw/zinc/54/84/51/606548451.db2.gz UOQGGTRHCHPFQN-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000823484233 606548453 /nfs/dbraw/zinc/54/84/53/606548453.db2.gz UOQGGTRHCHPFQN-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(Cc1noc(-c2ccc(-c3nnn[n-]3)s2)n1)Nc1ccc(F)cc1 ZINC000823118604 606620054 /nfs/dbraw/zinc/62/00/54/606620054.db2.gz HZJXVOSHPJMSBU-UHFFFAOYSA-N -1 1 371.357 2.299 20 0 FEADMM O=C(Cc1noc(-c2ccc(-c3nn[n-]n3)s2)n1)Nc1ccc(F)cc1 ZINC000823118604 606620056 /nfs/dbraw/zinc/62/00/56/606620056.db2.gz HZJXVOSHPJMSBU-UHFFFAOYSA-N -1 1 371.357 2.299 20 0 FEADMM CC(C)(C)c1noc(CCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000819972029 606647061 /nfs/dbraw/zinc/64/70/61/606647061.db2.gz XQNNXIDCGZXXDM-UHFFFAOYSA-N -1 1 371.401 2.008 20 0 FEADMM CC(C)(C)c1noc(CCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000819972029 606647062 /nfs/dbraw/zinc/64/70/62/606647062.db2.gz XQNNXIDCGZXXDM-UHFFFAOYSA-N -1 1 371.401 2.008 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000823436470 606651547 /nfs/dbraw/zinc/65/15/47/606651547.db2.gz WTVAXNVKZADKKD-UHFFFAOYSA-N -1 1 371.307 2.433 20 0 FEADMM COc1ccc(S[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821845468 606652802 /nfs/dbraw/zinc/65/28/02/606652802.db2.gz GUFLBEQNRMFTBP-LLVKDONJSA-N -1 1 371.422 2.494 20 0 FEADMM COc1ccc(S[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821845468 606652803 /nfs/dbraw/zinc/65/28/03/606652803.db2.gz GUFLBEQNRMFTBP-LLVKDONJSA-N -1 1 371.422 2.494 20 0 FEADMM O=S(=O)([N-]c1cc(-c2nn[nH]n2)ccc1Cl)c1ccccc1F ZINC000823583534 606712879 /nfs/dbraw/zinc/71/28/79/606712879.db2.gz SMKFXOJCIMMJLF-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820047169 606742747 /nfs/dbraw/zinc/74/27/47/606742747.db2.gz VYCATRZQGIYFMV-SNVBAGLBSA-N -1 1 355.851 2.187 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCSC2)c1-c1nn[n-]n1 ZINC000822486511 606797870 /nfs/dbraw/zinc/79/78/70/606797870.db2.gz MMEKARADXFWAQE-GFCCVEGCSA-N -1 1 370.438 2.157 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000822535564 606814259 /nfs/dbraw/zinc/81/42/59/606814259.db2.gz WUNBDCMPVATLFG-BETUJISGSA-N -1 1 352.398 2.431 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000822535564 606814261 /nfs/dbraw/zinc/81/42/61/606814261.db2.gz WUNBDCMPVATLFG-BETUJISGSA-N -1 1 352.398 2.431 20 0 FEADMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820703248 606840159 /nfs/dbraw/zinc/84/01/59/606840159.db2.gz DJCDSSNMTALELT-ZWNOBZJWSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820703242 606840513 /nfs/dbraw/zinc/84/05/13/606840513.db2.gz DJCDSSNMTALELT-GWCFXTLKSA-N -1 1 353.423 2.205 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2ccccc2C1 ZINC000823607879 606844627 /nfs/dbraw/zinc/84/46/27/606844627.db2.gz YHZPWHQZICQPLO-UHFFFAOYSA-N -1 1 373.413 2.143 20 0 FEADMM O=C(NCCCc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823197761 606957139 /nfs/dbraw/zinc/95/71/39/606957139.db2.gz UIRDIUHVTVSDED-UHFFFAOYSA-N -1 1 371.422 2.062 20 0 FEADMM O=C(NCCCc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823197761 606957141 /nfs/dbraw/zinc/95/71/41/606957141.db2.gz UIRDIUHVTVSDED-UHFFFAOYSA-N -1 1 371.422 2.062 20 0 FEADMM COCc1ncsc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000559618034 674549690 /nfs/dbraw/zinc/54/96/90/674549690.db2.gz ACFQJYXFPOOAMY-UHFFFAOYSA-N -1 1 359.404 2.052 20 0 FEADMM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822419154 607093235 /nfs/dbraw/zinc/09/32/35/607093235.db2.gz MXBIZVCXWYRBGQ-UHFFFAOYSA-N -1 1 373.376 2.384 20 0 FEADMM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822419154 607093236 /nfs/dbraw/zinc/09/32/36/607093236.db2.gz MXBIZVCXWYRBGQ-UHFFFAOYSA-N -1 1 373.376 2.384 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000819817359 607157219 /nfs/dbraw/zinc/15/72/19/607157219.db2.gz BXKOPGOBQWDYAB-UHFFFAOYSA-N -1 1 372.772 2.436 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NCc2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC000821978165 607161635 /nfs/dbraw/zinc/16/16/35/607161635.db2.gz KGNYHURFQZTBIM-UHFFFAOYSA-N -1 1 370.438 2.236 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(C2CC2)CC1 ZINC000826340661 607774156 /nfs/dbraw/zinc/77/41/56/607774156.db2.gz GUUWZAWVDIRFEQ-UHFFFAOYSA-N -1 1 352.398 2.479 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(C2CC2)CC1 ZINC000826340661 607774157 /nfs/dbraw/zinc/77/41/57/607774157.db2.gz GUUWZAWVDIRFEQ-UHFFFAOYSA-N -1 1 352.398 2.479 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826493735 607868463 /nfs/dbraw/zinc/86/84/63/607868463.db2.gz ZZVATQBYDFYDTR-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826493735 607868464 /nfs/dbraw/zinc/86/84/64/607868464.db2.gz ZZVATQBYDFYDTR-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM COc1ccccc1-c1nnc(Sc2cccc(-c3nnn[n-]3)n2)n1C ZINC000826218261 607895470 /nfs/dbraw/zinc/89/54/70/607895470.db2.gz WIGZIRSTMLOFLU-UHFFFAOYSA-N -1 1 366.410 2.217 20 0 FEADMM COc1ccccc1-c1nnc(Sc2cccc(-c3nn[n-]n3)n2)n1C ZINC000826218261 607895471 /nfs/dbraw/zinc/89/54/71/607895471.db2.gz WIGZIRSTMLOFLU-UHFFFAOYSA-N -1 1 366.410 2.217 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000826395919 607961276 /nfs/dbraw/zinc/96/12/76/607961276.db2.gz YLDKEPWKUKYZME-UHFFFAOYSA-N -1 1 367.319 2.279 20 0 FEADMM c1ccc(-n2c(Sc3ccc(-c4nnn[n-]4)nn3)nnc2C2CC2)cc1 ZINC000826519703 607988791 /nfs/dbraw/zinc/98/87/91/607988791.db2.gz KMVXTSFGDLYPEP-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM c1ccc(-n2c(Sc3ccc(-c4nn[n-]n4)nn3)nnc2C2CC2)cc1 ZINC000826519703 607988792 /nfs/dbraw/zinc/98/87/92/607988792.db2.gz KMVXTSFGDLYPEP-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM COc1ccc(OC)c(CCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826210831 608002572 /nfs/dbraw/zinc/00/25/72/608002572.db2.gz GRAICARDZHYBEE-UHFFFAOYSA-N -1 1 373.438 2.308 20 0 FEADMM COc1ccc(OC)c(CCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826210831 608002573 /nfs/dbraw/zinc/00/25/73/608002573.db2.gz GRAICARDZHYBEE-UHFFFAOYSA-N -1 1 373.438 2.308 20 0 FEADMM C[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000824478488 608013287 /nfs/dbraw/zinc/01/32/87/608013287.db2.gz HGSQZMITBIXZAB-QMMMGPOBSA-N -1 1 366.212 2.247 20 0 FEADMM C[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000824478488 608013288 /nfs/dbraw/zinc/01/32/88/608013288.db2.gz HGSQZMITBIXZAB-QMMMGPOBSA-N -1 1 366.212 2.247 20 0 FEADMM COc1cc(OC(=O)c2sccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000826180895 608137683 /nfs/dbraw/zinc/13/76/83/608137683.db2.gz BQDJUNJPORGCTJ-UHFFFAOYSA-N -1 1 362.367 2.173 20 0 FEADMM Cc1ccnc(Cl)c1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826309671 608154110 /nfs/dbraw/zinc/15/41/10/608154110.db2.gz XNYCZODZVPGVTQ-UHFFFAOYSA-N -1 1 365.802 2.300 20 0 FEADMM Cc1ccc([C@H]2COCCN2c2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000826285713 608189546 /nfs/dbraw/zinc/18/95/46/608189546.db2.gz HUYQMIFVGGTJLE-MRVPVSSYSA-N -1 1 352.807 2.456 20 0 FEADMM Cc1ccc([C@H]2COCCN2c2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000826285713 608189548 /nfs/dbraw/zinc/18/95/48/608189548.db2.gz HUYQMIFVGGTJLE-MRVPVSSYSA-N -1 1 352.807 2.456 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826231795 608200298 /nfs/dbraw/zinc/20/02/98/608200298.db2.gz ZTZZEMQHJRHTOT-MWLCHTKSSA-N -1 1 374.470 2.016 20 0 FEADMM CCCN1C(=O)CCc2cc(Nc3nccnc3-c3nnn[n-]3)ccc21 ZINC000825328029 608297905 /nfs/dbraw/zinc/29/79/05/608297905.db2.gz OELOGPPDAICMCV-UHFFFAOYSA-N -1 1 350.386 2.090 20 0 FEADMM CCCN1C(=O)CCc2cc(Nc3nccnc3-c3nn[n-]n3)ccc21 ZINC000825328029 608297906 /nfs/dbraw/zinc/29/79/06/608297906.db2.gz OELOGPPDAICMCV-UHFFFAOYSA-N -1 1 350.386 2.090 20 0 FEADMM Clc1cccnc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826354136 608365560 /nfs/dbraw/zinc/36/55/60/608365560.db2.gz QPFKEFSVWLOVNG-UHFFFAOYSA-N -1 1 372.820 2.107 20 0 FEADMM Cc1nn(C)c(C)c1CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826333433 608413719 /nfs/dbraw/zinc/41/37/19/608413719.db2.gz HNWRBUOCYITUKK-UHFFFAOYSA-N -1 1 352.855 2.372 20 0 FEADMM Cc1nn(C)c(C)c1CCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826333433 608413720 /nfs/dbraw/zinc/41/37/20/608413720.db2.gz HNWRBUOCYITUKK-UHFFFAOYSA-N -1 1 352.855 2.372 20 0 FEADMM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC000824228195 608416265 /nfs/dbraw/zinc/41/62/65/608416265.db2.gz GEPZYCUBNQBKSK-LBPRGKRZSA-N -1 1 354.418 2.477 20 0 FEADMM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC000824228195 608416267 /nfs/dbraw/zinc/41/62/67/608416267.db2.gz GEPZYCUBNQBKSK-LBPRGKRZSA-N -1 1 354.418 2.477 20 0 FEADMM CC(C)(C)CN(CC(C)(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824086913 608423118 /nfs/dbraw/zinc/42/31/18/608423118.db2.gz QIOKDBHGCPTNRF-UHFFFAOYSA-N -1 1 366.491 2.345 20 0 FEADMM CC(C)(C)CN(CC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824086913 608423119 /nfs/dbraw/zinc/42/31/19/608423119.db2.gz QIOKDBHGCPTNRF-UHFFFAOYSA-N -1 1 366.491 2.345 20 0 FEADMM O[C@H](C[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000826502108 608432013 /nfs/dbraw/zinc/43/20/13/608432013.db2.gz UTEYVGDGAMBMSR-TZMCWYRMSA-N -1 1 355.402 2.122 20 0 FEADMM O[C@H](C[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000826502108 608432014 /nfs/dbraw/zinc/43/20/14/608432014.db2.gz UTEYVGDGAMBMSR-TZMCWYRMSA-N -1 1 355.402 2.122 20 0 FEADMM O=C(OCCOc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826464375 608475379 /nfs/dbraw/zinc/47/53/79/608475379.db2.gz UOMMIVUKDZLNIV-UHFFFAOYSA-N -1 1 351.775 2.212 20 0 FEADMM O=C(OCCOc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826464375 608475380 /nfs/dbraw/zinc/47/53/80/608475380.db2.gz UOMMIVUKDZLNIV-UHFFFAOYSA-N -1 1 351.775 2.212 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000826232748 608555375 /nfs/dbraw/zinc/55/53/75/608555375.db2.gz GZJFLINACUTYSH-GFCCVEGCSA-N -1 1 358.446 2.212 20 0 FEADMM CCCCCC[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825271415 608556167 /nfs/dbraw/zinc/55/61/67/608556167.db2.gz JFDAFWWELGFTIX-LBPRGKRZSA-N -1 1 362.482 2.170 20 0 FEADMM CCCCCC[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825271415 608556169 /nfs/dbraw/zinc/55/61/69/608556169.db2.gz JFDAFWWELGFTIX-LBPRGKRZSA-N -1 1 362.482 2.170 20 0 FEADMM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(F)(F)F ZINC000824047311 609286868 /nfs/dbraw/zinc/28/68/68/609286868.db2.gz ZVZWMKUCACRTIJ-SSDOTTSWSA-N -1 1 369.282 2.328 20 0 FEADMM Cc1ccoc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826315918 609289667 /nfs/dbraw/zinc/28/96/67/609289667.db2.gz YLUIUJIMZMNWRQ-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM Cc1ccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826286886 609292868 /nfs/dbraw/zinc/29/28/68/609292868.db2.gz UVCJQZDPALGAJX-UHFFFAOYSA-N -1 1 367.344 2.274 20 0 FEADMM c1ccc(-c2n[nH]c([C@@H]3CCCN(c4cccc(-c5nn[n-]n5)n4)C3)n2)cc1 ZINC000826519276 609293930 /nfs/dbraw/zinc/29/39/30/609293930.db2.gz RHBOIYSFMIRDJO-CQSZACIVSA-N -1 1 373.424 2.431 20 0 FEADMM C[C@@H](C1CC1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824377614 609359612 /nfs/dbraw/zinc/35/96/12/609359612.db2.gz IRKTUXXPEMKYME-JTQLQIEISA-N -1 1 370.392 2.454 20 0 FEADMM CCOC(=O)[C@H]1CCC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825499429 609407747 /nfs/dbraw/zinc/40/77/47/609407747.db2.gz MYKSUYILHGPCAT-MNOVXSKESA-N -1 1 364.427 2.455 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826346781 609468123 /nfs/dbraw/zinc/46/81/23/609468123.db2.gz VNDINWIAYYIERG-YGRLFVJLSA-N -1 1 352.398 2.460 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826346781 609468124 /nfs/dbraw/zinc/46/81/24/609468124.db2.gz VNDINWIAYYIERG-YGRLFVJLSA-N -1 1 352.398 2.460 20 0 FEADMM Cc1onc(CC(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)c1-c1nnn[n-]1 ZINC000826343728 609469941 /nfs/dbraw/zinc/46/99/41/609469941.db2.gz LHQCAIWSKCNERU-UWVGGRQHSA-N -1 1 370.388 2.379 20 0 FEADMM Cc1onc(CC(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)c1-c1nn[n-]n1 ZINC000826343728 609469943 /nfs/dbraw/zinc/46/99/43/609469943.db2.gz LHQCAIWSKCNERU-UWVGGRQHSA-N -1 1 370.388 2.379 20 0 FEADMM Cc1onc(CC(=O)NC[C@@]2(C)CCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826347322 609470665 /nfs/dbraw/zinc/47/06/65/609470665.db2.gz MVSSSHFHUZMSSY-LJQANCHMSA-N -1 1 366.425 2.116 20 0 FEADMM Cc1onc(CC(=O)NC[C@@]2(C)CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826347322 609470667 /nfs/dbraw/zinc/47/06/67/609470667.db2.gz MVSSSHFHUZMSSY-LJQANCHMSA-N -1 1 366.425 2.116 20 0 FEADMM Cc1cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)c(Cl)cc1F ZINC000559841147 674558041 /nfs/dbraw/zinc/55/80/41/674558041.db2.gz JQGDZVDHIFEEGY-UHFFFAOYSA-N -1 1 354.794 2.244 20 0 FEADMM CC1(C)[C@H](CS(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)C1(F)F ZINC000641345911 677201880 /nfs/dbraw/zinc/20/18/80/677201880.db2.gz DTAKSUFTYFWSDN-MNOVXSKESA-N -1 1 355.353 2.209 20 0 FEADMM O=C(NC[C@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1)C(F)(F)F ZINC000812279311 674661685 /nfs/dbraw/zinc/66/16/85/674661685.db2.gz OYYDMOAGDNMPJU-MRVPVSSYSA-N -1 1 366.286 2.201 20 0 FEADMM C[C@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(F)c(Br)c1 ZINC000812611322 674687741 /nfs/dbraw/zinc/68/77/41/674687741.db2.gz NPJVTPWLTNEZGU-MRVPVSSYSA-N -1 1 372.194 2.247 20 0 FEADMM CCc1cc(CNC(=O)c2cc(Br)cc(C(=O)[O-])c2)n[nH]1 ZINC000812701221 674694073 /nfs/dbraw/zinc/69/40/73/674694073.db2.gz KJJOBXUNVZEUER-UHFFFAOYSA-N -1 1 352.188 2.363 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cccnc1F ZINC000813519971 674755140 /nfs/dbraw/zinc/75/51/40/674755140.db2.gz IGHFLGPVFSVADL-NSHDSACASA-N -1 1 350.716 2.046 20 0 FEADMM 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Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cc(F)c(Cl)cc1F ZINC000153373394 672197739 /nfs/dbraw/zinc/19/77/39/672197739.db2.gz DCSAXOQJYMKULC-UHFFFAOYSA-N -1 1 368.727 2.057 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C(F)(F)F)n[n-]1 ZINC000584651969 672203961 /nfs/dbraw/zinc/20/39/61/672203961.db2.gz HYTWERAROCLVLA-OPRDCNLKSA-N -1 1 362.352 2.383 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C(F)(F)F)[n-]1 ZINC000584651969 672203964 /nfs/dbraw/zinc/20/39/64/672203964.db2.gz HYTWERAROCLVLA-OPRDCNLKSA-N -1 1 362.352 2.383 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000584651969 672203967 /nfs/dbraw/zinc/20/39/67/672203967.db2.gz HYTWERAROCLVLA-OPRDCNLKSA-N -1 1 362.352 2.383 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc(-c3ncccn3)nc2C)n1 ZINC000585682764 672224686 /nfs/dbraw/zinc/22/46/86/672224686.db2.gz PSYODFMEDWQZAY-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2c(O)cccc2F)c1C ZINC000610781701 675996411 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COc1ccc(NCC(=O)N[N-]C(=O)c2ccc(F)c(Cl)c2F)cc1 ZINC000184421335 672498811 /nfs/dbraw/zinc/49/88/11/672498811.db2.gz BISUEULQENZWBY-UHFFFAOYSA-N -1 1 369.755 2.500 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c(C)c1F ZINC000679924448 672537346 /nfs/dbraw/zinc/53/73/46/672537346.db2.gz FANHXXQVMNEXLY-UHFFFAOYSA-N -1 1 356.350 2.182 20 0 FEADMM COc1cc(C)[n-]c(=NNC(=O)c2nc(Br)ccc2C)n1 ZINC000188217971 672586391 /nfs/dbraw/zinc/58/63/91/672586391.db2.gz SUFMTHXLJXUTMK-UHFFFAOYSA-N -1 1 352.192 2.016 20 0 FEADMM Nc1ccc([N+](=O)[O-])cc1C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000188232761 672586480 /nfs/dbraw/zinc/58/64/80/672586480.db2.gz BWNDUBNGNLMUKN-UHFFFAOYSA-N -1 1 352.709 2.044 20 0 FEADMM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000188375122 672590016 /nfs/dbraw/zinc/59/00/16/672590016.db2.gz YSQYUFOOEVZWLG-NSHDSACASA-N -1 1 354.838 2.457 20 0 FEADMM CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)CC2 ZINC000680846353 672606236 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O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccc([O-])c(F)c1 ZINC000681049418 672624658 /nfs/dbraw/zinc/62/46/58/672624658.db2.gz BBZAOWHPUNHQLI-UHFFFAOYSA-N -1 1 364.398 2.472 20 0 FEADMM O=C([N-]NC(=O)c1ccncc1)c1cc(Br)c(F)cc1F ZINC000191846343 672675970 /nfs/dbraw/zinc/67/59/70/672675970.db2.gz XKSOLOGXYIFWJV-UHFFFAOYSA-N -1 1 356.126 2.197 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@H](COCC2CC2)C1 ZINC000681628099 672684624 /nfs/dbraw/zinc/68/46/24/672684624.db2.gz HSPIVUOSCVLPLT-ZDUSSCGKSA-N -1 1 370.243 2.422 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1ccc(C)cc1)C1CC1 ZINC000591587896 672692156 /nfs/dbraw/zinc/69/21/56/672692156.db2.gz ZHTJMUBXKGDYOG-HNNXBMFYSA-N -1 1 363.439 2.324 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)NC(=O)OC(C)(C)C ZINC000192993409 672708685 /nfs/dbraw/zinc/70/86/85/672708685.db2.gz OWDIQIWVSVKUER-QMMMGPOBSA-N -1 1 368.377 2.295 20 0 FEADMM CO[C@@H](C)c1nsc(=NCC2(C(=O)OC(C)(C)C)CCOCC2)[n-]1 ZINC000591970757 672728245 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369.259 2.192 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc(Cl)c1[O-] ZINC000615479530 676216619 /nfs/dbraw/zinc/21/66/19/676216619.db2.gz LMDQRGAAERYGGM-CYBMUJFWSA-N -1 1 371.817 2.237 20 0 FEADMM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc(F)c1F ZINC000567547838 675301354 /nfs/dbraw/zinc/30/13/54/675301354.db2.gz IEADRNAJEZWBFB-CXAGYDPISA-N -1 1 353.390 2.409 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2n[nH]cc2Br)ccc1C ZINC000567978259 675340304 /nfs/dbraw/zinc/34/03/04/675340304.db2.gz SDXHMDZCQWFQTD-UHFFFAOYSA-N -1 1 373.232 2.240 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1Br)c1ccccc1 ZINC000568001347 675342665 /nfs/dbraw/zinc/34/26/65/675342665.db2.gz XNBBGGJYIFCKBR-LLVKDONJSA-N -1 1 360.233 2.302 20 0 FEADMM Cn1ccnc1[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000568593055 675384786 /nfs/dbraw/zinc/38/47/86/675384786.db2.gz YOLDIELEOKARHT-ZWNOBZJWSA-N -1 1 373.837 2.411 20 0 FEADMM Cc1sc(CC[N-]S(=O)(=O)N=S(C)(C)=O)nc1-c1ccccc1 ZINC000820794012 675389143 /nfs/dbraw/zinc/38/91/43/675389143.db2.gz NAJZATBHYPWZJN-UHFFFAOYSA-N -1 1 373.525 2.223 20 0 FEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000821150734 675418636 /nfs/dbraw/zinc/41/86/36/675418636.db2.gz KAUFOIVBOKSXPE-OAHLLOKOSA-N -1 1 351.428 2.346 20 0 FEADMM C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000822349066 675479435 /nfs/dbraw/zinc/47/94/35/675479435.db2.gz TWRQAQRZBWDSCZ-VREHXWONSA-N -1 1 354.447 2.130 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1cc(F)cc(F)c1 ZINC000823027558 675524031 /nfs/dbraw/zinc/52/40/31/675524031.db2.gz WWAKJRCPAYRZNU-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1cc(F)cc(F)c1 ZINC000823027558 675524033 /nfs/dbraw/zinc/52/40/33/675524033.db2.gz WWAKJRCPAYRZNU-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823040944 675524951 /nfs/dbraw/zinc/52/49/51/675524951.db2.gz STDTZQRBRYYTCG-UHFFFAOYSA-N -1 1 363.736 2.176 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823040944 675524954 /nfs/dbraw/zinc/52/49/54/675524954.db2.gz STDTZQRBRYYTCG-UHFFFAOYSA-N -1 1 363.736 2.176 20 0 FEADMM CCOC(=O)c1cnn(Cc2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000825570988 675659177 /nfs/dbraw/zinc/65/91/77/675659177.db2.gz QYLCFJGLMKTDDV-UHFFFAOYSA-N -1 1 350.741 2.081 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826345753 675686805 /nfs/dbraw/zinc/68/68/05/675686805.db2.gz SZVOQYFHXJDQSR-LURJTMIESA-N -1 1 352.807 2.298 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826345753 675686807 /nfs/dbraw/zinc/68/68/07/675686807.db2.gz SZVOQYFHXJDQSR-LURJTMIESA-N -1 1 352.807 2.298 20 0 FEADMM Cc1onc(CC(=O)NCc2csc3ccccc23)c1-c1nnn[n-]1 ZINC000826348140 675686885 /nfs/dbraw/zinc/68/68/85/675686885.db2.gz WVUSFCXRXFJVLO-UHFFFAOYSA-N -1 1 354.395 2.237 20 0 FEADMM Cc1onc(CC(=O)NCc2csc3ccccc23)c1-c1nn[n-]n1 ZINC000826348140 675686886 /nfs/dbraw/zinc/68/68/86/675686886.db2.gz WVUSFCXRXFJVLO-UHFFFAOYSA-N -1 1 354.395 2.237 20 0 FEADMM Cn1cc(C(F)F)c(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)n1 ZINC000826781136 675705492 /nfs/dbraw/zinc/70/54/92/675705492.db2.gz LQWPIUYKDWRAQF-UHFFFAOYSA-N -1 1 359.279 2.458 20 0 FEADMM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)[N-]OCC(F)(F)F)CC3)c1 ZINC000827035877 675724755 /nfs/dbraw/zinc/72/47/55/675724755.db2.gz UVWXJDYJUAQJET-LBPRGKRZSA-N -1 1 354.332 2.426 20 0 FEADMM COc1ccc(Br)c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000605381452 675812157 /nfs/dbraw/zinc/81/21/57/675812157.db2.gz QJDCQCLBOIQOTP-UHFFFAOYSA-N -1 1 366.219 2.170 20 0 FEADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1S(=O)(=O)N(C)C ZINC000605437044 675814804 /nfs/dbraw/zinc/81/48/04/675814804.db2.gz OBLNFIHVANTKHQ-UHFFFAOYSA-N -1 1 368.386 2.043 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000605532421 675818217 /nfs/dbraw/zinc/81/82/17/675818217.db2.gz XIBXVWBJIONXDT-UHFFFAOYSA-N -1 1 355.320 2.340 20 0 FEADMM O=C(c1ncc(C(F)(F)F)cc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000828416188 675818357 /nfs/dbraw/zinc/81/83/57/675818357.db2.gz FGFLQOBHMZIXML-UHFFFAOYSA-N -1 1 360.727 2.287 20 0 FEADMM COc1cc(NC(=O)N[C@@H](C)C[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000607208132 675860724 /nfs/dbraw/zinc/86/07/24/675860724.db2.gz PQELXGTYTSGHIW-AAEUAGOBSA-N -1 1 371.459 2.146 20 0 FEADMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000608049261 675884121 /nfs/dbraw/zinc/88/41/21/675884121.db2.gz YHHKOZVTNHNQBQ-GJMOJQLCSA-N -1 1 369.295 2.343 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)s1 ZINC000608355720 675889424 /nfs/dbraw/zinc/88/94/24/675889424.db2.gz DMGXVEXQHKIXBU-MFKMUULPSA-N -1 1 358.427 2.273 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc(Cl)c1[O-] ZINC000618218727 676326119 /nfs/dbraw/zinc/32/61/19/676326119.db2.gz ZMXNOWSWWOEXHC-ZWNOBZJWSA-N -1 1 352.818 2.185 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000619393794 676374845 /nfs/dbraw/zinc/37/48/45/676374845.db2.gz LNGFEVXCFWRPAW-LBPRGKRZSA-N -1 1 352.385 2.392 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1OC ZINC000619620401 676388249 /nfs/dbraw/zinc/38/82/49/676388249.db2.gz IWUHMOSEYHWPRA-UHFFFAOYSA-N -1 1 367.427 2.303 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2nc(C)[nH]c2C)c1 ZINC000621331226 676454251 /nfs/dbraw/zinc/45/42/51/676454251.db2.gz WLFPZJUNFKVGJS-UHFFFAOYSA-N -1 1 366.443 2.015 20 0 FEADMM COc1ccc(NC(=O)N2CC(CC3CC3)C2)cc1[N-]S(C)(=O)=O ZINC000621433483 676458207 /nfs/dbraw/zinc/45/82/07/676458207.db2.gz SOXVKSKNSJDXIN-UHFFFAOYSA-N -1 1 353.444 2.331 20 0 FEADMM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@H](CO)CC(F)(F)F ZINC000677423774 679680096 /nfs/dbraw/zinc/68/00/96/679680096.db2.gz ZEWBEMMPLKABLR-NSHDSACASA-N -1 1 364.345 2.074 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)cc1 ZINC000622553553 676502121 /nfs/dbraw/zinc/50/21/21/676502121.db2.gz ANTIUFVPJXLHCY-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)nc2n1 ZINC000622993487 676514577 /nfs/dbraw/zinc/51/45/77/676514577.db2.gz PCEQSPXSQAKSJR-VXGBXAGGSA-N -1 1 357.801 2.376 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)C[C@]34CCCC[C@H]3C4(F)F)nc2n1 ZINC000622992576 676514624 /nfs/dbraw/zinc/51/46/24/676514624.db2.gz PWXWBVWDAGZZPO-MEBBXXQBSA-N -1 1 351.357 2.134 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H](C)Oc3cccc(Cl)c3)nc2n1 ZINC000622995908 676514862 /nfs/dbraw/zinc/51/48/62/676514862.db2.gz UFEBYCSGXHKQIF-VIFPVBQESA-N -1 1 361.789 2.039 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n[nH]1 ZINC000677644895 679690355 /nfs/dbraw/zinc/69/03/55/679690355.db2.gz JZQWOLBRGAYFMZ-UHFFFAOYSA-N -1 1 350.787 2.116 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1nc([C@H]2CC[C@@H](C)O2)no1 ZINC000624695188 676591056 /nfs/dbraw/zinc/59/10/56/676591056.db2.gz JSEILVAILBSRNJ-JFGNBEQYSA-N -1 1 355.391 2.488 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1)C1CC1 ZINC000625229853 676630604 /nfs/dbraw/zinc/63/06/04/676630604.db2.gz ZLAOKFMHVBAXNW-JTQLQIEISA-N -1 1 365.402 2.121 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCN1CC(F)F)c1ccc(F)c(F)c1F ZINC000625392221 676644626 /nfs/dbraw/zinc/64/46/26/676644626.db2.gz AHFQGZIJAQZPMF-QMMMGPOBSA-N -1 1 358.332 2.112 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000629286478 676840307 /nfs/dbraw/zinc/84/03/07/676840307.db2.gz RBXACOFRLJNPFH-QGZVFWFLSA-N -1 1 366.483 2.479 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1cc(Br)c[nH]c1=O)C1CC1 ZINC000629295942 676842348 /nfs/dbraw/zinc/84/23/48/676842348.db2.gz PHKIRYORSHSLHN-NSHDSACASA-N -1 1 365.249 2.107 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)CCOCC1 ZINC000629297810 676842571 /nfs/dbraw/zinc/84/25/71/676842571.db2.gz ZGJMBVISSURKAO-UHFFFAOYSA-N -1 1 353.444 2.199 20 0 FEADMM O=C1CC[C@H](c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCO3)N1 ZINC000629329661 676847175 /nfs/dbraw/zinc/84/71/75/676847175.db2.gz IIOXDDPKRUGPQD-OAHLLOKOSA-N -1 1 358.419 2.373 20 0 FEADMM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1[O-] ZINC000629444543 676855101 /nfs/dbraw/zinc/85/51/01/676855101.db2.gz ZDWPQVGJRVEPML-OAHLLOKOSA-N -1 1 361.829 2.071 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)o1 ZINC000629465841 676855943 /nfs/dbraw/zinc/85/59/43/676855943.db2.gz OEFBNKGRMJBJKA-UHFFFAOYSA-N -1 1 354.350 2.040 20 0 FEADMM COc1ccc(S[C@@H](C)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC000630224232 676887989 /nfs/dbraw/zinc/88/79/89/676887989.db2.gz PHTYCJINUWBJAR-ZDUSSCGKSA-N -1 1 366.483 2.183 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000630225663 676888402 /nfs/dbraw/zinc/88/84/02/676888402.db2.gz JMMBOTXNOLKDPV-ZDUSSCGKSA-N -1 1 354.497 2.086 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc(N2CCOCC2)nc1 ZINC000630624943 676912155 /nfs/dbraw/zinc/91/21/55/676912155.db2.gz LQQRQPNQDFEVFX-UHFFFAOYSA-N -1 1 361.829 2.136 20 0 FEADMM O=C(CCc1nn[n-]n1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000630717774 676918121 /nfs/dbraw/zinc/91/81/21/676918121.db2.gz LOOVEXYLKKSIOQ-BQBZGAKWSA-N -1 1 359.274 2.158 20 0 FEADMM 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C[N-]S(=O)(=O)c1cc(C(=O)OCCCC(=O)c2ccccc2)co1 ZINC000756399535 680476747 /nfs/dbraw/zinc/47/67/47/680476747.db2.gz DEADYDMWCHBLQC-UHFFFAOYSA-N -1 1 351.380 2.008 20 0 FEADMM Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)c1 ZINC001002188311 680488687 /nfs/dbraw/zinc/48/86/87/680488687.db2.gz IKRKDQGRFVOQTI-UPJWGTAASA-N -1 1 357.435 2.333 20 0 FEADMM Cc1cnc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c([O-])c1 ZINC000836795154 680515240 /nfs/dbraw/zinc/51/52/40/680515240.db2.gz LGJXEOKHUCGSSX-JTQLQIEISA-N -1 1 359.373 2.374 20 0 FEADMM CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000837086637 680550894 /nfs/dbraw/zinc/55/08/94/680550894.db2.gz QDDVCEXBUBVXEL-UHFFFAOYSA-N -1 1 358.341 2.245 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccccc2Cn2cncn2)[nH]nc1C1CC1 ZINC000758404265 680576236 /nfs/dbraw/zinc/57/62/36/680576236.db2.gz VEIFYRZCVNVWCA-UHFFFAOYSA-N -1 1 358.427 2.036 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)c1cccc(F)c1)c1ccc(Br)o1 ZINC000759046776 680623404 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Cc1nnc([C@@H](C)NC(=O)c2ccc(I)cc2[O-])o1 ZINC000866570320 684120594 /nfs/dbraw/zinc/12/05/94/684120594.db2.gz FSHRPNVYGFZIEO-ZCFIWIBFSA-N -1 1 373.150 2.179 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000866596136 684124883 /nfs/dbraw/zinc/12/48/83/684124883.db2.gz BHZBLZGBWQLTPC-HOTGVXAUSA-N -1 1 372.512 2.251 20 0 FEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)no1 ZINC000866696848 684135997 /nfs/dbraw/zinc/13/59/97/684135997.db2.gz WBLCWDJHTBYSIM-UHFFFAOYSA-N -1 1 351.215 2.293 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1nnc2n1CCCCC2 ZINC000866750564 684145188 /nfs/dbraw/zinc/14/51/88/684145188.db2.gz OBJIJBCIRYRGAE-JTQLQIEISA-N -1 1 371.413 2.107 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)c1C(F)(F)F ZINC000866767709 684148469 /nfs/dbraw/zinc/14/84/69/684148469.db2.gz WLEFHQIQJDQGMF-UHFFFAOYSA-N -1 1 374.388 2.276 20 0 FEADMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866804364 684156502 /nfs/dbraw/zinc/15/65/02/684156502.db2.gz 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C[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000932058990 684399287 /nfs/dbraw/zinc/39/92/87/684399287.db2.gz QGXMVEKJGWXZKJ-UMFZYTJCSA-N -1 1 362.455 2.389 20 0 FEADMM O=Cc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000868444474 684495313 /nfs/dbraw/zinc/49/53/13/684495313.db2.gz NANHVMPAABHRCG-JTQLQIEISA-N -1 1 360.307 2.169 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(I)cc2[O-])C[C@@H](C)C1=O ZINC000869253778 684597712 /nfs/dbraw/zinc/59/77/12/684597712.db2.gz NPMDHDVVUHMSTK-RKDXNWHRSA-N -1 1 373.190 2.294 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000869366461 684610581 /nfs/dbraw/zinc/61/05/81/684610581.db2.gz IITSZQRDSPQGEU-UHFFFAOYSA-N -1 1 365.842 2.210 20 0 FEADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000869458650 684619881 /nfs/dbraw/zinc/61/98/81/684619881.db2.gz WZTPXMBJYINJBT-AWEZNQCLSA-N -1 1 357.328 2.361 20 0 FEADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)Cc1cccc(C(F)F)c1 ZINC000869507878 684624682 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/nfs/dbraw/zinc/76/09/46/548760946.db2.gz CJGTYMRQEWNLQE-UHFFFAOYSA-N -1 1 351.209 2.480 20 0 FEADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000549756523 674061529 /nfs/dbraw/zinc/06/15/29/674061529.db2.gz SNXKIQQTCLKCRC-UHFFFAOYSA-N -1 1 370.427 2.166 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)c2ccc(Br)c(O)c2)s[n-]1 ZINC000549788311 674062642 /nfs/dbraw/zinc/06/26/42/674062642.db2.gz RYZSSFYAAALDNT-LURJTMIESA-N -1 1 358.217 2.388 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@H](O)C1 ZINC000022737920 539697951 /nfs/dbraw/zinc/69/79/51/539697951.db2.gz OMZPHJDEQGBWIA-INIZCTEOSA-N -1 1 360.435 2.084 20 0 FEADMM O=S(=O)([N-]CCc1cn2ccccc2n1)c1ccc(F)c(F)c1F ZINC000024471527 539732363 /nfs/dbraw/zinc/73/23/63/539732363.db2.gz DCJIWPZYSZBYST-UHFFFAOYSA-N -1 1 355.341 2.273 20 0 FEADMM CN1C(=O)c2ccccc2[C@H]1CN=c1ccc(C(=O)NC2CCCC2)n[n-]1 ZINC000528206127 539740723 /nfs/dbraw/zinc/74/07/23/539740723.db2.gz NOLJHKCGXKPJMK-QGZVFWFLSA-N -1 1 365.437 2.388 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc3n2CCCCC3)cc1 ZINC000024833598 539742224 /nfs/dbraw/zinc/74/22/24/539742224.db2.gz YVILHKTWWPIGOX-UHFFFAOYSA-N -1 1 360.439 2.062 20 0 FEADMM CS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000029403346 539852992 /nfs/dbraw/zinc/85/29/92/539852992.db2.gz ITUBDSYKERPKDC-UHFFFAOYSA-N -1 1 362.379 2.137 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc(NC(N)=O)c2)c(=O)[n-]1 ZINC000029616358 539858659 /nfs/dbraw/zinc/85/86/59/539858659.db2.gz VDQSSNCPJQEACK-UHFFFAOYSA-N -1 1 361.427 2.274 20 0 FEADMM CC(C)n1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000030570042 539885645 /nfs/dbraw/zinc/88/56/45/539885645.db2.gz VUPHQKAPSWQEAH-UHFFFAOYSA-N -1 1 354.432 2.386 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)o1 ZINC000031617921 539913568 /nfs/dbraw/zinc/91/35/68/539913568.db2.gz JSPXUOUDCOZCDV-UHFFFAOYSA-N -1 1 363.439 2.349 20 0 FEADMM COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000031665946 539915489 /nfs/dbraw/zinc/91/54/89/539915489.db2.gz WLFDGTYKUQANLB-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1F ZINC000032590721 539943167 /nfs/dbraw/zinc/94/31/67/539943167.db2.gz OWIGOQZBRNHUMU-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000032977564 539961858 /nfs/dbraw/zinc/96/18/58/539961858.db2.gz AGNJGLCLTXMWAZ-UHFFFAOYSA-N -1 1 351.428 2.286 20 0 FEADMM COc1cc(NC(=O)COc2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000033067571 539966378 /nfs/dbraw/zinc/96/63/78/539966378.db2.gz AGVBPGNFUGWHEX-UHFFFAOYSA-N -1 1 364.423 2.393 20 0 FEADMM CCS(=O)(=O)N1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000040050752 540004848 /nfs/dbraw/zinc/00/48/48/540004848.db2.gz MDWMRDUGBNRFQI-UHFFFAOYSA-N -1 1 362.451 2.089 20 0 FEADMM CN1CC(=O)N(c2cccc(NC(=O)c3csc(=NC4CC4)[n-]3)c2)C1=O ZINC000532277738 540150848 /nfs/dbraw/zinc/15/08/48/540150848.db2.gz QRIVLHUCLHOAAP-UHFFFAOYSA-N -1 1 371.422 2.368 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(C)cc(C)c2)o1 ZINC000800966287 674094646 /nfs/dbraw/zinc/09/46/46/674094646.db2.gz DKSGSLNNMBEWRG-AWEZNQCLSA-N -1 1 367.423 2.085 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1CN1C(=O)CCC1=O ZINC000550472830 674098069 /nfs/dbraw/zinc/09/80/69/674098069.db2.gz DDNFFINZEFSTRE-UHFFFAOYSA-N -1 1 358.419 2.445 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)o1 ZINC000048107566 540345335 /nfs/dbraw/zinc/34/53/35/540345335.db2.gz YDGXDQPTWHEIQV-INIZCTEOSA-N -1 1 360.391 2.300 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000051266548 540428412 /nfs/dbraw/zinc/42/84/12/540428412.db2.gz ZGAUGNWDMOYRJW-SSDOTTSWSA-N -1 1 373.722 2.469 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000054817944 540612681 /nfs/dbraw/zinc/61/26/81/540612681.db2.gz XPBIQGRYXGWNNO-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000055548772 540658093 /nfs/dbraw/zinc/65/80/93/540658093.db2.gz YNYSOYPPWXESKY-UHFFFAOYSA-N -1 1 361.423 2.148 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000055595124 540662270 /nfs/dbraw/zinc/66/22/70/540662270.db2.gz MBWQTCMUNNQURQ-UHFFFAOYSA-N -1 1 351.380 2.126 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c2cccnc12 ZINC000055586176 540661459 /nfs/dbraw/zinc/66/14/59/540661459.db2.gz PCJNXQLZMWQLKQ-UHFFFAOYSA-N -1 1 371.418 2.072 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)ccc1C ZINC000055615226 540663988 /nfs/dbraw/zinc/66/39/88/540663988.db2.gz BJSHSQVYQSJAHZ-UHFFFAOYSA-N -1 1 361.423 2.162 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1 ZINC000055678881 540669996 /nfs/dbraw/zinc/66/99/96/540669996.db2.gz SARFXJZEGLWVHM-UHFFFAOYSA-N -1 1 372.443 2.397 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F ZINC000055682493 540670783 /nfs/dbraw/zinc/67/07/83/540670783.db2.gz SUHFUVHAFLYIEK-UHFFFAOYSA-N -1 1 356.306 2.209 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1S(N)(=O)=O ZINC000055650738 540667939 /nfs/dbraw/zinc/66/79/39/540667939.db2.gz HLXRGERSOYPDPZ-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM COc1cc(NC(=O)c2noc3c2CCCC3)ccc1[N-]S(C)(=O)=O ZINC000056891519 540753969 /nfs/dbraw/zinc/75/39/69/540753969.db2.gz UIODBXKRWWTWRX-UHFFFAOYSA-N -1 1 365.411 2.186 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000062930625 541155137 /nfs/dbraw/zinc/15/51/37/541155137.db2.gz UCBNWQPFTQRKEM-UHFFFAOYSA-N -1 1 374.871 2.351 20 0 FEADMM C[C@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000063927076 541191304 /nfs/dbraw/zinc/19/13/04/541191304.db2.gz MFMODIQKRXMIGP-GFCCVEGCSA-N -1 1 351.399 2.052 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)cc1 ZINC000064474915 541207171 /nfs/dbraw/zinc/20/71/71/541207171.db2.gz SVSAJWWHQRHXHZ-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000066638578 541352732 /nfs/dbraw/zinc/35/27/32/541352732.db2.gz KBPGIQKOZINFDL-UHFFFAOYSA-N -1 1 359.455 2.042 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCc2cccc(F)c21 ZINC000067019793 541407486 /nfs/dbraw/zinc/40/74/86/541407486.db2.gz BVEWIEIWZAVDEX-UHFFFAOYSA-N -1 1 354.385 2.300 20 0 FEADMM CC(=O)Nc1ccc(C)cc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000067021858 541407722 /nfs/dbraw/zinc/40/77/22/541407722.db2.gz YRSJKTFEDAZTRH-UHFFFAOYSA-N -1 1 367.409 2.087 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)n[n-]c1=S ZINC000067050457 541410871 /nfs/dbraw/zinc/41/08/71/541410871.db2.gz ZMFPQHYRQXDGLF-CQSZACIVSA-N -1 1 373.482 2.272 20 0 FEADMM CC(C)n1c(CCNC(=O)C(C)(C)NC(=O)OC(C)(C)C)n[n-]c1=S ZINC000067073955 541414016 /nfs/dbraw/zinc/41/40/16/541414016.db2.gz XPKUCJLLZSYINY-UHFFFAOYSA-N -1 1 371.507 2.484 20 0 FEADMM CCCN(CCC)C(=O)CCC(=O)NCCc1n[n-]c(=S)n1CC ZINC000067119190 541420162 /nfs/dbraw/zinc/42/01/62/541420162.db2.gz QATFFZNRLGXRKG-UHFFFAOYSA-N -1 1 355.508 2.048 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1S(N)(=O)=O ZINC000067124670 541420402 /nfs/dbraw/zinc/42/04/02/541420402.db2.gz GPMSDQGUJHNEBI-UHFFFAOYSA-N -1 1 374.871 2.351 20 0 FEADMM Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067119291 541420414 /nfs/dbraw/zinc/42/04/14/541420414.db2.gz CFLWSFFKMDWPFL-LBPRGKRZSA-N -1 1 373.482 2.061 20 0 FEADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000550793159 674110440 /nfs/dbraw/zinc/11/04/40/674110440.db2.gz IUOWMYSKHCLWLP-UHFFFAOYSA-N -1 1 370.356 2.470 20 0 FEADMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000067438756 541464730 /nfs/dbraw/zinc/46/47/30/541464730.db2.gz DOHOOQLSALHORK-KRWDZBQOSA-N -1 1 359.813 2.382 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000544057332 541707668 /nfs/dbraw/zinc/70/76/68/541707668.db2.gz IEBBDFKHPBFJLY-LBPRGKRZSA-N -1 1 357.410 2.492 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1cccc2nsnc21 ZINC000071092103 541763322 /nfs/dbraw/zinc/76/33/22/541763322.db2.gz MCWDUXALTRLYSM-UHFFFAOYSA-N -1 1 358.408 2.073 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1 ZINC000071092383 541763452 /nfs/dbraw/zinc/76/34/52/541763452.db2.gz KZYGAOVPBNXYCX-UHFFFAOYSA-N -1 1 372.406 2.245 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000064467672 212038941 /nfs/dbraw/zinc/03/89/41/212038941.db2.gz QHMVTEQNBMZWBQ-UHFFFAOYSA-N -1 1 360.844 2.049 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000064467959 212039121 /nfs/dbraw/zinc/03/91/21/212039121.db2.gz NWLMUVMRHMZSRC-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CCOC[C@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000072838770 541878577 /nfs/dbraw/zinc/87/85/77/541878577.db2.gz RPAVLLITCRFJKQ-HNNXBMFYSA-N -1 1 360.458 2.259 20 0 FEADMM O=C(OCCCN1CCCC1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801360303 674124344 /nfs/dbraw/zinc/12/43/44/674124344.db2.gz BHAYDMCKTPAHKY-UHFFFAOYSA-N -1 1 363.801 2.401 20 0 FEADMM O=C(OCCn1ccccc1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359084 674124391 /nfs/dbraw/zinc/12/43/91/674124391.db2.gz GBMHODHJXCMAAT-UHFFFAOYSA-N -1 1 359.769 2.250 20 0 FEADMM O=C(NCCCOC[C@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000076948634 542332729 /nfs/dbraw/zinc/33/27/29/542332729.db2.gz SJOFTPQDDXCYHV-GFCCVEGCSA-N -1 1 358.232 2.470 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000077140714 542347945 /nfs/dbraw/zinc/34/79/45/542347945.db2.gz UVDQSOYNKKKTMN-NWDGAFQWSA-N -1 1 354.815 2.127 20 0 FEADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000079864942 542545901 /nfs/dbraw/zinc/54/59/01/542545901.db2.gz OTPISHAZQAFMAX-GXTWGEPZSA-N -1 1 362.455 2.482 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC2(CCC2)O1 ZINC000566272050 675199801 /nfs/dbraw/zinc/19/98/01/675199801.db2.gz RFALTQRBIQGTSP-GFCCVEGCSA-N -1 1 370.471 2.140 20 0 FEADMM CCOC(=O)C1(C)CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000092719344 542883608 /nfs/dbraw/zinc/88/36/08/542883608.db2.gz VKJXVVDPOJQMDB-UHFFFAOYSA-N -1 1 363.458 2.181 20 0 FEADMM CCCOc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000104853308 543147409 /nfs/dbraw/zinc/14/74/09/543147409.db2.gz SFIMTEWNMXZRSU-UHFFFAOYSA-N -1 1 368.437 2.287 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1ccccc1Cl ZINC000104870381 543148087 /nfs/dbraw/zinc/14/80/87/543148087.db2.gz ILRLQHPAHZENTE-UHFFFAOYSA-N -1 1 358.829 2.194 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cnn(-c2ccccc2)c1 ZINC000104869439 543148371 /nfs/dbraw/zinc/14/83/71/543148371.db2.gz PXOZDYXBYRBWJY-UHFFFAOYSA-N -1 1 362.393 2.006 20 0 FEADMM Cc1cc2c[nH]nc2cc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104920960 543150776 /nfs/dbraw/zinc/15/07/76/543150776.db2.gz LYVIHAVFYBLXFT-UHFFFAOYSA-N -1 1 350.382 2.005 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000108892074 543307445 /nfs/dbraw/zinc/30/74/45/543307445.db2.gz QMPCAGIPDVBMRM-ZIAGYGMSSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]1 ZINC000108892074 543307446 /nfs/dbraw/zinc/30/74/46/543307446.db2.gz QMPCAGIPDVBMRM-ZIAGYGMSSA-N -1 1 356.407 2.104 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000109997549 543345915 /nfs/dbraw/zinc/34/59/15/543345915.db2.gz MFIWPIOKPIOJNL-SSDOTTSWSA-N -1 1 351.306 2.316 20 0 FEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000114413071 543513879 /nfs/dbraw/zinc/51/38/79/543513879.db2.gz IMPUQTZTRUTJPB-CHWSQXEVSA-N -1 1 356.451 2.429 20 0 FEADMM Cc1cc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)n1C1CC1 ZINC000114412918 543513993 /nfs/dbraw/zinc/51/39/93/543513993.db2.gz QQDOSUDSSYEGMP-UHFFFAOYSA-N -1 1 353.426 2.323 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)cc21 ZINC000116159082 543601903 /nfs/dbraw/zinc/60/19/03/543601903.db2.gz DHRRYJJYTFWDAF-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000122534039 543708508 /nfs/dbraw/zinc/70/85/08/543708508.db2.gz AAKAVRHVYGHCNK-VIFPVBQESA-N -1 1 354.815 2.184 20 0 FEADMM COc1ccccc1OCc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)o1 ZINC000124384487 543817933 /nfs/dbraw/zinc/81/79/33/543817933.db2.gz JVGPQMOYFLCPRQ-LBPRGKRZSA-N -1 1 371.397 2.256 20 0 FEADMM C[C@@H](CN(C)C(=O)CCCOc1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC000124499129 543826363 /nfs/dbraw/zinc/82/63/63/543826363.db2.gz IKEJFVYCBDSTEI-AWEZNQCLSA-N -1 1 357.458 2.500 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1nn[n-]n1 ZINC000124028075 543797369 /nfs/dbraw/zinc/79/73/69/543797369.db2.gz GZBWSJADGDFMTR-LLVKDONJSA-N -1 1 369.429 2.423 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccccc1OCc1cscn1)c1nn[n-]n1 ZINC000124650819 543834912 /nfs/dbraw/zinc/83/49/12/543834912.db2.gz PPNDVDKFAAGUKT-NSHDSACASA-N -1 1 358.427 2.111 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCc2occc21 ZINC000124972550 543854252 /nfs/dbraw/zinc/85/42/52/543854252.db2.gz MEMWGQLBDQJOAY-MRXNPFEDSA-N -1 1 364.405 2.470 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127154386 543976382 /nfs/dbraw/zinc/97/63/82/543976382.db2.gz OGLPIHZCWTXSAI-UHFFFAOYSA-N -1 1 354.819 2.056 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000128332446 544046662 /nfs/dbraw/zinc/04/66/62/544046662.db2.gz KPLOWCGIWBRPPN-ZBFHGGJFSA-N -1 1 358.442 2.012 20 0 FEADMM Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129439486 544112239 /nfs/dbraw/zinc/11/22/39/544112239.db2.gz PKJMKSCPFNTFDA-CQSZACIVSA-N -1 1 352.398 2.112 20 0 FEADMM CCC[C@H](Cc1ccccc1)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000129811063 544128167 /nfs/dbraw/zinc/12/81/67/544128167.db2.gz LGDKNVQTTSEBQT-OAHLLOKOSA-N -1 1 350.440 2.329 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cccc(F)c1F ZINC000130472923 544152516 /nfs/dbraw/zinc/15/25/16/544152516.db2.gz FICPWNPPJOGSKI-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(-c4nnco4)c3)cc12 ZINC000135938632 544363624 /nfs/dbraw/zinc/36/36/24/544363624.db2.gz JNSAHQWAIWFAAK-UHFFFAOYSA-N -1 1 370.394 2.128 20 0 FEADMM CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CCC)c1nn[n-]n1 ZINC000136687023 544376977 /nfs/dbraw/zinc/37/69/77/544376977.db2.gz KJSZEJVVHLSBLE-CQSZACIVSA-N -1 1 369.429 2.445 20 0 FEADMM CCC[C@H](NC(=O)CCOc1cccc(Br)c1)c1nn[n-]n1 ZINC000136695068 544377622 /nfs/dbraw/zinc/37/76/22/544377622.db2.gz KTKSSAJZCLTNSB-LBPRGKRZSA-N -1 1 368.235 2.389 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(OC)c(Br)c1)c1nn[n-]n1 ZINC000136726847 544377980 /nfs/dbraw/zinc/37/79/80/544377980.db2.gz GFSFRBXJJIHQAJ-SNVBAGLBSA-N -1 1 354.208 2.242 20 0 FEADMM COC[C@@H](C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000149346910 544456843 /nfs/dbraw/zinc/45/68/43/544456843.db2.gz QGEJTVCAJWIOAI-AWEZNQCLSA-N -1 1 362.451 2.500 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cn1C ZINC000150971757 544492254 /nfs/dbraw/zinc/49/22/54/544492254.db2.gz GIUNHXPRGZUOGH-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC([C@H](O)C(F)(F)F)CC3)cnc2n1 ZINC000151035679 544498188 /nfs/dbraw/zinc/49/81/88/544498188.db2.gz BTBXRFYNMLQFKN-AWEZNQCLSA-N -1 1 369.343 2.419 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC([C@H](O)C(F)(F)F)CC3)c[n-]c2n1 ZINC000151035679 544498192 /nfs/dbraw/zinc/49/81/92/544498192.db2.gz BTBXRFYNMLQFKN-AWEZNQCLSA-N -1 1 369.343 2.419 20 0 FEADMM C[C@@H](CO)[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000151177095 544513842 /nfs/dbraw/zinc/51/38/42/544513842.db2.gz XGGMWSSHFVWYAD-KBPBESRZSA-N -1 1 362.451 2.234 20 0 FEADMM CC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000152906445 544710054 /nfs/dbraw/zinc/71/00/54/544710054.db2.gz KSRLWFMLXXQAOW-MFKMUULPSA-N -1 1 364.464 2.054 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)o1 ZINC000153227559 544748645 /nfs/dbraw/zinc/74/86/45/544748645.db2.gz HRNNXSYTPZBAAB-ZDUSSCGKSA-N -1 1 352.387 2.134 20 0 FEADMM CCC[C@H](NC(=O)Cc1cc(F)ccc1Br)c1nn[n-]n1 ZINC000153926817 544841411 /nfs/dbraw/zinc/84/14/11/544841411.db2.gz FRZJYQURJXCAFX-NSHDSACASA-N -1 1 356.199 2.301 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(Cc2ccccc2)CC1 ZINC000154356117 544895480 /nfs/dbraw/zinc/89/54/80/544895480.db2.gz MVFRIHDPLRSKNI-UHFFFAOYSA-N -1 1 364.449 2.321 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000155155034 544996381 /nfs/dbraw/zinc/99/63/81/544996381.db2.gz MFHOSXXUSHNEJK-KBPBESRZSA-N -1 1 356.216 2.175 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccn(C(C)C)c2C)c1 ZINC000552503969 674212328 /nfs/dbraw/zinc/21/23/28/674212328.db2.gz YNSNGGRXXQCRTF-UHFFFAOYSA-N -1 1 351.428 2.243 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@H](C)[C@H]1OC ZINC000552649369 674218480 /nfs/dbraw/zinc/21/84/80/674218480.db2.gz WDPQBYQHIRFZRF-ZLKJLUDKSA-N -1 1 359.444 2.184 20 0 FEADMM COc1cc(C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000553082445 674237650 /nfs/dbraw/zinc/23/76/50/674237650.db2.gz DUZQIYDWENKCBV-BONVTDFDSA-N -1 1 362.813 2.442 20 0 FEADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4nncn4c3)cc2F)c1 ZINC000180791602 327702044 /nfs/dbraw/zinc/70/20/44/327702044.db2.gz BNIMQNZRROLSMS-UHFFFAOYSA-N -1 1 372.385 2.163 20 0 FEADMM O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc([O-])cc1F ZINC000181181262 327719613 /nfs/dbraw/zinc/71/96/13/327719613.db2.gz IOHASMVSOYWSNR-UHFFFAOYSA-N -1 1 374.412 2.172 20 0 FEADMM CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182047515 327758725 /nfs/dbraw/zinc/75/87/25/327758725.db2.gz ZIAMKNAPEYTRCQ-UHFFFAOYSA-N -1 1 353.362 2.354 20 0 FEADMM CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000182389080 327773181 /nfs/dbraw/zinc/77/31/81/327773181.db2.gz YMQBZAZHEFAJJA-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1nnc(CNC(=O)c2cc(Br)ccc2[O-])n1C1CC1 ZINC000183433867 327817860 /nfs/dbraw/zinc/81/78/60/327817860.db2.gz VHZHOAVGIHYUMX-UHFFFAOYSA-N -1 1 351.204 2.320 20 0 FEADMM CCN1CCN(C(=O)c2cccc(I)c2[O-])[C@H](C)C1 ZINC000804379468 674283408 /nfs/dbraw/zinc/28/34/08/674283408.db2.gz LSXMLZXUJHEVDT-SNVBAGLBSA-N -1 1 374.222 2.163 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2noc3ccccc32)CCN1c1ccccc1 ZINC000185777628 327932685 /nfs/dbraw/zinc/93/26/85/327932685.db2.gz XFBMDIWHRIJBRA-OAHLLOKOSA-N -1 1 371.418 2.053 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)s1 ZINC000553867666 674290605 /nfs/dbraw/zinc/29/06/05/674290605.db2.gz UCQVTVMLGSZYOB-QMMMGPOBSA-N -1 1 359.395 2.357 20 0 FEADMM O=S(=O)([N-]C[C@@]1(O)CCSC1)c1ccc(Cl)c(F)c1Cl ZINC000188078031 328064528 /nfs/dbraw/zinc/06/45/28/328064528.db2.gz HCKWGQHDIGTKLG-NSHDSACASA-N -1 1 360.259 2.279 20 0 FEADMM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)O1 ZINC000189019375 328123769 /nfs/dbraw/zinc/12/37/69/328123769.db2.gz TVXNNTBPHNDOTA-RCCFBDPRSA-N -1 1 365.389 2.401 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000189586567 328156738 /nfs/dbraw/zinc/15/67/38/328156738.db2.gz UXFFOKVKKYUKCY-UHFFFAOYSA-N -1 1 370.453 2.099 20 0 FEADMM C[C@@H](O)[C@@](C)(CNC(=O)c1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000191441836 328265845 /nfs/dbraw/zinc/26/58/45/328265845.db2.gz SNOFNOGXSUWZDW-SPLOXXLWSA-N -1 1 365.433 2.283 20 0 FEADMM CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191855102 328285107 /nfs/dbraw/zinc/28/51/07/328285107.db2.gz RICMRTLLBIGNOI-UHFFFAOYSA-N -1 1 357.234 2.326 20 0 FEADMM C[C@@H](O)[C@@](C)(CNC(=O)c1c[n-]c2c(cnn2C)c1=O)Cc1ccccc1 ZINC000192065869 328297891 /nfs/dbraw/zinc/29/78/91/328297891.db2.gz MNDYLPONMXBJMZ-ZUOKHONESA-N -1 1 368.437 2.034 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000192751654 328337217 /nfs/dbraw/zinc/33/72/17/328337217.db2.gz QAJKGGUEUWLGDX-RMKNXTFCSA-N -1 1 374.444 2.394 20 0 FEADMM COC(=O)c1cnc(S[C@H](C(N)=O)c2cccc(Br)c2)[n-]1 ZINC000193545893 328381109 /nfs/dbraw/zinc/38/11/09/328381109.db2.gz HIKBVWPPABCKEO-JTQLQIEISA-N -1 1 370.228 2.278 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000193545893 328381111 /nfs/dbraw/zinc/38/11/11/328381111.db2.gz HIKBVWPPABCKEO-JTQLQIEISA-N -1 1 370.228 2.278 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)N(C)CC(F)(F)F ZINC000193749957 328392956 /nfs/dbraw/zinc/39/29/56/328392956.db2.gz OKEAEMYSIJQBAD-MRVPVSSYSA-N -1 1 371.356 2.018 20 0 FEADMM CCOC1CC(CNC(=O)c2cc(Cl)ccc2[O-])(N2CCOCC2)C1 ZINC000195182825 328460454 /nfs/dbraw/zinc/46/04/54/328460454.db2.gz PUYJOXQLBPGMRW-UHFFFAOYSA-N -1 1 368.861 2.045 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 ZINC000022737912 324400582 /nfs/dbraw/zinc/40/05/82/324400582.db2.gz LODLGVOGUPLQLY-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)CCc1ccncc1 ZINC000195492564 328479962 /nfs/dbraw/zinc/47/99/62/328479962.db2.gz CSHSNSLWBRMEGR-UHFFFAOYSA-N -1 1 353.426 2.080 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCCO1 ZINC000230893232 328487510 /nfs/dbraw/zinc/48/75/10/328487510.db2.gz NMJZGSLVLZEBAS-VIFPVBQESA-N -1 1 361.179 2.248 20 0 FEADMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000055621985 324783277 /nfs/dbraw/zinc/78/32/77/324783277.db2.gz UGSVGLSPJPIQGK-UHFFFAOYSA-N -1 1 374.462 2.088 20 0 FEADMM C[C@H](C(=O)N(C)Cc1cccc(F)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC000063927388 324869682 /nfs/dbraw/zinc/86/96/82/324869682.db2.gz JIHKVHNJMHFDHB-GFCCVEGCSA-N -1 1 351.399 2.352 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000078502532 325048910 /nfs/dbraw/zinc/04/89/10/325048910.db2.gz QYJTUQGWFFWYTI-UHFFFAOYSA-N -1 1 357.395 2.154 20 0 FEADMM C[C@@H](C(=O)Nc1ncccn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000079949126 325111698 /nfs/dbraw/zinc/11/16/98/325111698.db2.gz FJZWGPZQPNLNAP-ZDUSSCGKSA-N -1 1 354.410 2.104 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000080923824 325148439 /nfs/dbraw/zinc/14/84/39/325148439.db2.gz MRMMRSJIDLXMPB-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081449326 325176270 /nfs/dbraw/zinc/17/62/70/325176270.db2.gz NUFCBDHYZWHVRT-NSHDSACASA-N -1 1 351.447 2.178 20 0 FEADMM CCCOc1ncccc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081592040 325187741 /nfs/dbraw/zinc/18/77/41/325187741.db2.gz GANQNMMPPVRBFQ-UHFFFAOYSA-N -1 1 358.442 2.490 20 0 FEADMM CCn1c(CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)n[n-]c1=S ZINC000081636031 325190430 /nfs/dbraw/zinc/19/04/30/325190430.db2.gz ANAHBBBETXBJFU-QHCPKHFHSA-N -1 1 357.436 2.159 20 0 FEADMM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3[O-])cn2)C[C@H](C)O1 ZINC000081941747 325203912 /nfs/dbraw/zinc/20/39/12/325203912.db2.gz KBLDQOUDYAFJQS-BETUJISGSA-N -1 1 359.401 2.470 20 0 FEADMM CC(C)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)N1CCOCC1 ZINC000084936279 325246889 /nfs/dbraw/zinc/24/68/89/325246889.db2.gz LZTMQUDLDDDMFD-HNNXBMFYSA-N -1 1 352.456 2.068 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(Cl)cc3C2)co1 ZINC000090446212 325358542 /nfs/dbraw/zinc/35/85/42/325358542.db2.gz XSJJBQAHMUNQCZ-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM Cn1c([C@@H]2CCCN(C(=O)C[C@H](O)c3cccc(F)c3)C2)n[n-]c1=S ZINC000091442604 325386644 /nfs/dbraw/zinc/38/66/44/325386644.db2.gz HRTQKMFJFDCHAS-OCCSQVGLSA-N -1 1 364.446 2.446 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000091694495 325390088 /nfs/dbraw/zinc/39/00/88/325390088.db2.gz BPQXVIPWJMKCLZ-UHFFFAOYSA-N -1 1 369.396 2.411 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)CCc1ccccc1 ZINC000103937797 325529254 /nfs/dbraw/zinc/52/92/54/325529254.db2.gz UHRBKLIBOSENHU-CYBMUJFWSA-N -1 1 352.438 2.319 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CCOc3ccccc32)c(=O)[n-]1 ZINC000108741580 325649479 /nfs/dbraw/zinc/64/94/79/325649479.db2.gz NFPNMMJEXQNKFL-ZDUSSCGKSA-N -1 1 373.478 2.415 20 0 FEADMM COc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)ccn1 ZINC000114056867 325871324 /nfs/dbraw/zinc/87/13/24/325871324.db2.gz NCAJZVDMDPEILT-SECBINFHSA-N -1 1 366.424 2.241 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCOc1cccc(F)c1 ZINC000114155262 325875574 /nfs/dbraw/zinc/87/55/74/325875574.db2.gz XHAXQRMIXKBHHP-UHFFFAOYSA-N -1 1 372.400 2.254 20 0 FEADMM CCOc1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)ccc1OC ZINC000114512337 325901467 /nfs/dbraw/zinc/90/14/67/325901467.db2.gz PXPSLAXROOITKY-UHFFFAOYSA-N -1 1 353.378 2.260 20 0 FEADMM CSc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)nc1 ZINC000116238695 326001039 /nfs/dbraw/zinc/00/10/39/326001039.db2.gz JDAPLJQPKVHEPG-UHFFFAOYSA-N -1 1 367.434 2.438 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H](C)O)cc1 ZINC000118720211 326098768 /nfs/dbraw/zinc/09/87/68/326098768.db2.gz UUYBMUNMZUSCAT-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1c(C)noc1C ZINC000119286795 326145555 /nfs/dbraw/zinc/14/55/55/326145555.db2.gz UMIOWWMYYVVGJN-NSHDSACASA-N -1 1 356.400 2.409 20 0 FEADMM COCc1nc2cc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)ccc2o1 ZINC000119322626 326149251 /nfs/dbraw/zinc/14/92/51/326149251.db2.gz XLAXKEZDJYLGIT-UHFFFAOYSA-N -1 1 353.338 2.214 20 0 FEADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119396169 326158082 /nfs/dbraw/zinc/15/80/82/326158082.db2.gz DTWSJXXGIFKUFV-BZNIZROVSA-N -1 1 352.394 2.138 20 0 FEADMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119437324 326162195 /nfs/dbraw/zinc/16/21/95/326162195.db2.gz SVSXXFOKDDWFLD-HQJQHLMTSA-N -1 1 372.231 2.413 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cccc(Cl)c1F ZINC000119765012 326196193 /nfs/dbraw/zinc/19/61/93/326196193.db2.gz JWTRFQOUNXFHSG-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM O=C(Nc1ccccc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000119814780 326200916 /nfs/dbraw/zinc/20/09/16/326200916.db2.gz BPENKJHZBOHXMT-UHFFFAOYSA-N -1 1 352.390 2.452 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)c2cccc(NC(=O)C3CC3)c2)[nH]n1 ZINC000119844121 326204022 /nfs/dbraw/zinc/20/40/22/326204022.db2.gz FPGPTQDZPJMTRD-UHFFFAOYSA-N -1 1 350.382 2.411 20 0 FEADMM COc1cc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1O ZINC000120179511 326238127 /nfs/dbraw/zinc/23/81/27/326238127.db2.gz PGEUYRCGJSGFTE-UHFFFAOYSA-N -1 1 359.426 2.362 20 0 FEADMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120561627 326268575 /nfs/dbraw/zinc/26/85/75/326268575.db2.gz QKKITUJIBKMALA-RQJHMYQMSA-N -1 1 358.204 2.023 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)Nc3nc(SCCO)n[nH]3)cs2)o1 ZINC000120732227 326282953 /nfs/dbraw/zinc/28/29/53/326282953.db2.gz IKXMTFRZGASWAS-UHFFFAOYSA-N -1 1 365.440 2.095 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)co1 ZINC000121341501 326331112 /nfs/dbraw/zinc/33/11/12/326331112.db2.gz WLJJPBHNIQPBJZ-UHFFFAOYSA-N -1 1 369.418 2.424 20 0 FEADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000121385428 326334499 /nfs/dbraw/zinc/33/44/99/326334499.db2.gz ARDDRTVTCALGBQ-UHFFFAOYSA-N -1 1 368.842 2.226 20 0 FEADMM O=C(Cn1cc([N-]c2nc(-c3ccccc3)ns2)cn1)N1CCOCC1 ZINC000125431114 326471626 /nfs/dbraw/zinc/47/16/26/326471626.db2.gz CTRBYFJEXSMUMM-UHFFFAOYSA-N -1 1 370.438 2.004 20 0 FEADMM C[C@H](O)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000126504944 326490329 /nfs/dbraw/zinc/49/03/29/326490329.db2.gz TVUPMVYOQJFKOI-LBPRGKRZSA-N -1 1 366.414 2.079 20 0 FEADMM C[C@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127219059 326502240 /nfs/dbraw/zinc/50/22/40/326502240.db2.gz QCAYIFFUYHFZKT-CXAGYDPISA-N -1 1 356.422 2.037 20 0 FEADMM O=C(CCn1cncn1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000130096859 326551321 /nfs/dbraw/zinc/55/13/21/326551321.db2.gz TUYLAMIHKCRNSS-UHFFFAOYSA-N -1 1 371.422 2.108 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c1 ZINC000132571112 326594926 /nfs/dbraw/zinc/59/49/26/326594926.db2.gz ILXKZMLASCDFER-UHFFFAOYSA-N -1 1 371.422 2.271 20 0 FEADMM C[C@@H](O)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000136053368 326649520 /nfs/dbraw/zinc/64/95/20/326649520.db2.gz WHRQXLDVWFFAKJ-GFCCVEGCSA-N -1 1 366.414 2.127 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000150894668 326670374 /nfs/dbraw/zinc/67/03/74/326670374.db2.gz DWROIYBXPCGWMU-CQSZACIVSA-N -1 1 373.482 2.123 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)c1 ZINC000152578243 326711004 /nfs/dbraw/zinc/71/10/04/326711004.db2.gz LOEKSXOYWGFOPV-UHFFFAOYSA-N -1 1 358.441 2.167 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)o1 ZINC000153681822 326739573 /nfs/dbraw/zinc/73/95/73/326739573.db2.gz XVFXJUXTGBRFPD-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM CC[C@@H](CNC(=O)c1coc(S(=O)(=O)[N-]C)c1)Oc1cccc(C)c1 ZINC000155246171 326782306 /nfs/dbraw/zinc/78/23/06/326782306.db2.gz RLAWIVBDRXSMQL-AWEZNQCLSA-N -1 1 366.439 2.084 20 0 FEADMM O=C(Cc1ccon1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000155656338 326798475 /nfs/dbraw/zinc/79/84/75/326798475.db2.gz IFXAKQLVAWMXGR-UHFFFAOYSA-N -1 1 371.418 2.334 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)o1 ZINC000157547710 326868331 /nfs/dbraw/zinc/86/83/31/326868331.db2.gz OPUIOQIYKJXCFA-UHFFFAOYSA-N -1 1 353.375 2.153 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)CC(=O)c2ccco2)c(=O)[n-]1 ZINC000157876070 326878133 /nfs/dbraw/zinc/87/81/33/326878133.db2.gz APWQJTOURYSJSO-SNVBAGLBSA-N -1 1 363.439 2.104 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nncn2C)cc1 ZINC000163068601 327041961 /nfs/dbraw/zinc/04/19/61/327041961.db2.gz AKOFJQAIKWHPSC-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC)c2C)c1 ZINC000164791600 327074483 /nfs/dbraw/zinc/07/44/83/327074483.db2.gz RGQMKFJIFOXTKV-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000171671580 327153954 /nfs/dbraw/zinc/15/39/54/327153954.db2.gz SNQGGTDZLMBYJT-KRWDZBQOSA-N -1 1 350.422 2.328 20 0 FEADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1Cl ZINC000172367099 327198080 /nfs/dbraw/zinc/19/80/80/327198080.db2.gz SYKXFICOFYKKJF-LBPRGKRZSA-N -1 1 360.863 2.401 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000172560958 327208503 /nfs/dbraw/zinc/20/85/03/327208503.db2.gz KGWIGAGRQXNRJA-UHFFFAOYSA-N -1 1 351.306 2.144 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1Cl ZINC000172884762 327224431 /nfs/dbraw/zinc/22/44/31/327224431.db2.gz HAEIETCZYHVSKS-UHFFFAOYSA-N -1 1 372.805 2.399 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](C)CC ZINC000173960250 327297956 /nfs/dbraw/zinc/29/79/56/327297956.db2.gz RCANIPFSKFJBDS-SDBXPKJASA-N -1 1 353.362 2.360 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174515939 327331950 /nfs/dbraw/zinc/33/19/50/327331950.db2.gz DXPYNPJALMJAGT-MRXNPFEDSA-N -1 1 372.469 2.132 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C12CCCC2 ZINC000174582219 327336365 /nfs/dbraw/zinc/33/63/65/327336365.db2.gz SCXGFBBPDJAPLP-HZPDHXFCSA-N -1 1 372.469 2.036 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000175467153 327394439 /nfs/dbraw/zinc/39/44/39/327394439.db2.gz VTTAZPJOCVTREV-GJZGRUSLSA-N -1 1 360.483 2.069 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000175645209 327404295 /nfs/dbraw/zinc/40/42/95/327404295.db2.gz WXXMQGVQHCLKEP-IMXIGIQMSA-N -1 1 369.430 2.462 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000176684258 327469849 /nfs/dbraw/zinc/46/98/49/327469849.db2.gz JLBHRWHVBGVVER-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)ccc1F ZINC000176702936 327470930 /nfs/dbraw/zinc/47/09/30/327470930.db2.gz KNCLCLKYQHBQGF-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM CCC[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000262680606 328880679 /nfs/dbraw/zinc/88/06/79/328880679.db2.gz SOACOOYWBCIJET-SECBINFHSA-N -1 1 372.187 2.259 20 0 FEADMM CC(C)[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1ccc(Cl)cc1F ZINC000263169437 328921870 /nfs/dbraw/zinc/92/18/70/328921870.db2.gz RTPNZNHETXGACQ-CQSZACIVSA-N -1 1 351.827 2.265 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1nnc2n1CCCCC2 ZINC000264572036 329036829 /nfs/dbraw/zinc/03/68/29/329036829.db2.gz SYFDDVPSWFHJAJ-LBPRGKRZSA-N -1 1 353.448 2.039 20 0 FEADMM CCc1cc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n(C)n1 ZINC000265374825 329120088 /nfs/dbraw/zinc/12/00/88/329120088.db2.gz PKERJBRSEDCHHV-UHFFFAOYSA-N -1 1 366.425 2.420 20 0 FEADMM CN(CCCOc1ccccc1)C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000266195898 329199293 /nfs/dbraw/zinc/19/92/93/329199293.db2.gz HVYIGVHLALPYTH-UHFFFAOYSA-N -1 1 363.435 2.093 20 0 FEADMM COc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc(NC(C)=O)c1OC ZINC000266297952 329209192 /nfs/dbraw/zinc/20/91/92/329209192.db2.gz RZNOYBXVDGCZCA-UHFFFAOYSA-N -1 1 373.291 2.051 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H]1O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000266332541 329212265 /nfs/dbraw/zinc/21/22/65/329212265.db2.gz VRSUTZLXAZQGDY-MAUKXSAKSA-N -1 1 374.462 2.378 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000266582667 329238500 /nfs/dbraw/zinc/23/85/00/329238500.db2.gz RFLSOJJZXXJURU-DYESRHJHSA-N -1 1 362.433 2.160 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CCCS1 ZINC000266586190 329238999 /nfs/dbraw/zinc/23/89/99/329238999.db2.gz NIZCFMMNSDKVRW-AWEZNQCLSA-N -1 1 356.469 2.011 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000266979477 329279341 /nfs/dbraw/zinc/27/93/41/329279341.db2.gz PEMKAEGIWXPRRV-CYBMUJFWSA-N -1 1 358.467 2.469 20 0 FEADMM COCCOc1ccccc1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000267028763 329284753 /nfs/dbraw/zinc/28/47/53/329284753.db2.gz RGZQQCFRMRYJJH-UHFFFAOYSA-N -1 1 363.439 2.168 20 0 FEADMM COC(=O)C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OC)c(OC)c1 ZINC000267185636 329300502 /nfs/dbraw/zinc/30/05/02/329300502.db2.gz IYJGZLDEABOHJR-VIFPVBQESA-N -1 1 367.295 2.325 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000267206575 329302316 /nfs/dbraw/zinc/30/23/16/329302316.db2.gz SSUVZMJWVBEIFL-DGCLKSJQSA-N -1 1 371.459 2.098 20 0 FEADMM COC(=O)C1(N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)CCCC1 ZINC000269299037 329505438 /nfs/dbraw/zinc/50/54/38/329505438.db2.gz IQDOFZWUFPHVOD-UHFFFAOYSA-N -1 1 367.471 2.089 20 0 FEADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(F)ccc1[O-] ZINC000270647984 329618539 /nfs/dbraw/zinc/61/85/39/329618539.db2.gz ZULFEDOVRMQVRP-UHFFFAOYSA-N -1 1 374.368 2.403 20 0 FEADMM Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2cc(F)ccc2[O-])s1 ZINC000271349235 329686545 /nfs/dbraw/zinc/68/65/45/329686545.db2.gz XIVNYBNRYQHYPI-LLVKDONJSA-N -1 1 367.427 2.450 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000271449966 329694646 /nfs/dbraw/zinc/69/46/46/329694646.db2.gz WZFWOPYPXCFBBQ-CYBMUJFWSA-N -1 1 363.439 2.324 20 0 FEADMM CCC1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCOCC1 ZINC000272168919 329757270 /nfs/dbraw/zinc/75/72/70/329757270.db2.gz BRVMFODRKQEFAZ-UHFFFAOYSA-N -1 1 356.444 2.212 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000272479964 329784469 /nfs/dbraw/zinc/78/44/69/329784469.db2.gz MZDLSQNNQRQJRF-RDJZCZTQSA-N -1 1 370.453 2.105 20 0 FEADMM Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000275316562 330034284 /nfs/dbraw/zinc/03/42/84/330034284.db2.gz IOXZVLFLBVVECH-AAEUAGOBSA-N -1 1 366.215 2.148 20 0 FEADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000275961997 330106837 /nfs/dbraw/zinc/10/68/37/330106837.db2.gz BLKCLXVEKCGPMK-AEGPPILISA-N -1 1 355.456 2.166 20 0 FEADMM CN(CCCCO)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000276449169 330153109 /nfs/dbraw/zinc/15/31/09/330153109.db2.gz MFILDSNCGVBLFT-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288715094 330187839 /nfs/dbraw/zinc/18/78/39/330187839.db2.gz YCTJRNWVJNQMEW-CYBMUJFWSA-N -1 1 366.361 2.273 20 0 FEADMM COc1ccc(C2(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)CCCC2)cc1 ZINC000367122800 330219646 /nfs/dbraw/zinc/21/96/46/330219646.db2.gz HBPLDRZWWVZVCV-AWEZNQCLSA-N -1 1 355.442 2.426 20 0 FEADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000367247655 330235838 /nfs/dbraw/zinc/23/58/38/330235838.db2.gz AJSYMKHTHREJKX-LBPRGKRZSA-N -1 1 371.832 2.367 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cnccn3)ccc2C)o1 ZINC000373628408 330246320 /nfs/dbraw/zinc/24/63/20/330246320.db2.gz AIVDBEICMLDMPY-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)o1 ZINC000373634316 330247071 /nfs/dbraw/zinc/24/70/71/330247071.db2.gz DWGXDZUXIZYISO-NEPJUHHUSA-N -1 1 366.414 2.393 20 0 FEADMM O=C(OCc1ccccc1)N1CC(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)C1 ZINC000805141026 674322601 /nfs/dbraw/zinc/32/26/01/674322601.db2.gz AIJGGGFHUJWUQU-CQSZACIVSA-N -1 1 374.409 2.115 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000805252183 674327941 /nfs/dbraw/zinc/32/79/41/674327941.db2.gz YNCIVRXMEZNKBT-OFTGVCEQSA-N -1 1 365.396 2.041 20 0 FEADMM CO[C@@H](C)c1nc(=N[C@@H](CN2CCN(C)CC2)c2ccccc2)s[n-]1 ZINC000554686571 674330258 /nfs/dbraw/zinc/33/02/58/674330258.db2.gz KZIXZOCUPFBJHD-HOCLYGCPSA-N -1 1 361.515 2.068 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1C1CCC1 ZINC000625690704 676668341 /nfs/dbraw/zinc/66/83/41/676668341.db2.gz FIUADOYXUDJGHZ-MRVPVSSYSA-N -1 1 369.295 2.487 20 0 FEADMM O=C(NCCNc1nccc(C(F)(F)F)n1)c1c(F)ccc([O-])c1F ZINC000554873476 674339285 /nfs/dbraw/zinc/33/92/85/674339285.db2.gz LWMAJYHMXIDNKO-UHFFFAOYSA-N -1 1 362.258 2.321 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C(F)F)c1c(Cl)cccc1Br ZINC000310796374 553753963 /nfs/dbraw/zinc/75/39/63/553753963.db2.gz WOMOROVAKJGYNU-SSDOTTSWSA-N -1 1 364.595 2.007 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000477274318 561140841 /nfs/dbraw/zinc/14/08/41/561140841.db2.gz SYWOEDJSTAHAAT-MRVPVSSYSA-N -1 1 360.395 2.339 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1C(N)=O ZINC000477406081 561144186 /nfs/dbraw/zinc/14/41/86/561144186.db2.gz PPTFAZYLXSPBMD-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM COc1ccc(NC(=O)c2ccc(F)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000477501736 561146467 /nfs/dbraw/zinc/14/64/67/561146467.db2.gz FNNNOCCKCQXVIV-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM O=C1NCCN1c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157590182 545757426 /nfs/dbraw/zinc/75/74/26/545757426.db2.gz DWDJKPSITHAHMD-UHFFFAOYSA-N -1 1 371.340 2.434 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C)c1 ZINC000478694828 561172849 /nfs/dbraw/zinc/17/28/49/561172849.db2.gz CQJVXHYNUFZPRT-UHFFFAOYSA-N -1 1 366.414 2.368 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1nn(C)c2ccccc12 ZINC000478785103 561174760 /nfs/dbraw/zinc/17/47/60/561174760.db2.gz BKZPGGSUYWICNU-UHFFFAOYSA-N -1 1 357.439 2.072 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c(F)c1 ZINC000479138501 561182519 /nfs/dbraw/zinc/18/25/19/561182519.db2.gz XMZYSWNAADFFOK-UHFFFAOYSA-N -1 1 355.391 2.252 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)o1 ZINC000479177672 561183558 /nfs/dbraw/zinc/18/35/58/561183558.db2.gz MTOVUWNJLDMWPI-CHWSQXEVSA-N -1 1 353.371 2.430 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)o1 ZINC000479208450 561184688 /nfs/dbraw/zinc/18/46/88/561184688.db2.gz SGFOBSONHBGFKY-VIFPVBQESA-N -1 1 371.415 2.176 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)o1 ZINC000479221286 561185105 /nfs/dbraw/zinc/18/51/05/561185105.db2.gz FXQGHSCRXIBODA-LBPRGKRZSA-N -1 1 353.396 2.202 20 0 FEADMM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000479292155 561186641 /nfs/dbraw/zinc/18/66/41/561186641.db2.gz VZBNDDDKOYITHD-UHFFFAOYSA-N -1 1 357.819 2.229 20 0 FEADMM O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc2ncsc2c1 ZINC000479481599 561190371 /nfs/dbraw/zinc/19/03/71/561190371.db2.gz QPANCDSLKVLVES-UHFFFAOYSA-N -1 1 350.421 2.468 20 0 FEADMM CCCCCc1nnc([N-]C(=O)c2cc(S(=O)(=O)NC)oc2C)s1 ZINC000175845701 546360304 /nfs/dbraw/zinc/36/03/04/546360304.db2.gz DFCBRWRROMLDGI-UHFFFAOYSA-N -1 1 372.472 2.333 20 0 FEADMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CCO1 ZINC000480072743 561202535 /nfs/dbraw/zinc/20/25/35/561202535.db2.gz PZHLIIJRHOZAPR-OCCSQVGLSA-N -1 1 359.444 2.328 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(F)c(Br)c1)c1nn[n-]n1 ZINC000176753764 546484548 /nfs/dbraw/zinc/48/45/48/546484548.db2.gz FTXFLNGMKHCRDC-NSHDSACASA-N -1 1 356.199 2.301 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(I)c1)c1nn[n-]n1 ZINC000176769416 546486243 /nfs/dbraw/zinc/48/62/43/546486243.db2.gz LQSACSAIOTXMCD-SNVBAGLBSA-N -1 1 371.182 2.076 20 0 FEADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000481700017 561239045 /nfs/dbraw/zinc/23/90/45/561239045.db2.gz ANEJIMNPYMPXFO-GUYCJALGSA-N -1 1 352.456 2.454 20 0 FEADMM C[C@@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCCc2ccccc21 ZINC000179540312 546974090 /nfs/dbraw/zinc/97/40/90/546974090.db2.gz LYKFBADCENDYKW-GOSISDBHSA-N -1 1 360.435 2.272 20 0 FEADMM O=C(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000179618503 546986693 /nfs/dbraw/zinc/98/66/93/546986693.db2.gz PXLVGFKURJBVKY-UHFFFAOYSA-N -1 1 358.419 2.196 20 0 FEADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)NCc1ccco1 ZINC000180455307 547110558 /nfs/dbraw/zinc/11/05/58/547110558.db2.gz HNPWCBUDESWSLC-VIFPVBQESA-N -1 1 356.300 2.439 20 0 FEADMM O=C(c1ccc([O-])cc1F)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000181953554 547412546 /nfs/dbraw/zinc/41/25/46/547412546.db2.gz LGEMKKNZVXQFSX-UHFFFAOYSA-N -1 1 373.428 2.291 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1 ZINC000181970188 547415608 /nfs/dbraw/zinc/41/56/08/547415608.db2.gz QPTNGBRRSWQMIE-ZDUSSCGKSA-N -1 1 374.340 2.293 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1nn[n-]n1 ZINC000182149500 547444310 /nfs/dbraw/zinc/44/43/10/547444310.db2.gz SHMDSNWIUOHRKN-KCJUWKMLSA-N -1 1 373.383 2.336 20 0 FEADMM CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000182494997 547504042 /nfs/dbraw/zinc/50/40/42/547504042.db2.gz VSNROHBHIUMDPA-UHFFFAOYSA-N -1 1 362.411 2.118 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccc(Br)s1)c1nn[n-]n1 ZINC000183430891 547657684 /nfs/dbraw/zinc/65/76/84/547657684.db2.gz OHTAVBNLZVJPOQ-HTQZYQBOSA-N -1 1 358.265 2.389 20 0 FEADMM CCOc1cc2c(cc1C=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1)O[C@H](C)C2 ZINC000183440332 547658588 /nfs/dbraw/zinc/65/85/88/547658588.db2.gz OGEGLDNTBQIVHB-AMRKSYTLSA-N -1 1 371.441 2.197 20 0 FEADMM COc1ccc(-c2nc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)cs2)cc1 ZINC000183448910 547661185 /nfs/dbraw/zinc/66/11/85/547661185.db2.gz VVXLFHKDHGUXJE-JTQLQIEISA-N -1 1 358.427 2.208 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)co1 ZINC000183995366 547750770 /nfs/dbraw/zinc/75/07/70/547750770.db2.gz YSAZKOTVVIHLAQ-SFHVURJKSA-N -1 1 362.451 2.425 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ncccc3Cl)cc3c2N1CCC3 ZINC000184949718 547905530 /nfs/dbraw/zinc/90/55/30/547905530.db2.gz ZIKMPPZVMATOBS-UHFFFAOYSA-N -1 1 363.826 2.371 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000184979097 547911131 /nfs/dbraw/zinc/91/11/31/547911131.db2.gz KXCBYLLSYPRDHO-ZDUSSCGKSA-N -1 1 372.874 2.205 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000184979114 547911406 /nfs/dbraw/zinc/91/14/06/547911406.db2.gz KXCBYLLSYPRDHO-CYBMUJFWSA-N -1 1 372.874 2.205 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2)N(C)C1CC1 ZINC000184995386 547914787 /nfs/dbraw/zinc/91/47/87/547914787.db2.gz URRYGUUAXZYPTK-GFCCVEGCSA-N -1 1 366.483 2.025 20 0 FEADMM COc1cc2c(cc1S(=O)(=O)[N-]c1cccc(F)c1F)OCC(=O)N2 ZINC000485386643 561317947 /nfs/dbraw/zinc/31/79/47/561317947.db2.gz KHNZBDQMLVDZQT-UHFFFAOYSA-N -1 1 370.333 2.105 20 0 FEADMM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1ccc([O-])cc1F ZINC000185381569 547977366 /nfs/dbraw/zinc/97/73/66/547977366.db2.gz RVFGSOBQKSURJA-UHFFFAOYSA-N -1 1 350.371 2.106 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)co1 ZINC000185760324 548031621 /nfs/dbraw/zinc/03/16/21/548031621.db2.gz DXVZBNXNHBYYLM-UHFFFAOYSA-N -1 1 374.340 2.409 20 0 FEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000485655119 561324972 /nfs/dbraw/zinc/32/49/72/561324972.db2.gz NJMGLPAKAXEJQS-STQMWFEESA-N -1 1 360.391 2.147 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486565231 561351018 /nfs/dbraw/zinc/35/10/18/561351018.db2.gz WEBLCGBOQJOWGW-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM CCn1cnc2c(c1=O)CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C2 ZINC000194331996 548467367 /nfs/dbraw/zinc/46/73/67/548467367.db2.gz JWTIAYGKCRCKKF-UHFFFAOYSA-N -1 1 367.327 2.186 20 0 FEADMM CCc1nc(CS(=O)(=O)c2nc(-c3ccc(OC)cc3)n[n-]2)cs1 ZINC000195120467 548580872 /nfs/dbraw/zinc/58/08/72/548580872.db2.gz NWUCBOHGERZPQX-UHFFFAOYSA-N -1 1 364.452 2.473 20 0 FEADMM CCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc(OC)cc3)n2)cs1 ZINC000195120467 548580878 /nfs/dbraw/zinc/58/08/78/548580878.db2.gz NWUCBOHGERZPQX-UHFFFAOYSA-N -1 1 364.452 2.473 20 0 FEADMM CC(C)(C)c1nc(CS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)no1 ZINC000195131642 548582692 /nfs/dbraw/zinc/58/26/92/548582692.db2.gz UTLYHUQISQJPIV-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1nc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)no1 ZINC000195131642 548582696 /nfs/dbraw/zinc/58/26/96/548582696.db2.gz UTLYHUQISQJPIV-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195168148 548589088 /nfs/dbraw/zinc/58/90/88/548589088.db2.gz JLESTFGCKWJMRS-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195168148 548589093 /nfs/dbraw/zinc/58/90/93/548589093.db2.gz JLESTFGCKWJMRS-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195168148 548589097 /nfs/dbraw/zinc/58/90/97/548589097.db2.gz JLESTFGCKWJMRS-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM O=S(=O)(Cc1noc(C2CC2)n1)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000195213112 548597187 /nfs/dbraw/zinc/59/71/87/548597187.db2.gz ZRWKSGPACBZMHE-UHFFFAOYSA-N -1 1 371.422 2.195 20 0 FEADMM O=S(=O)(Cc1noc(C2CC2)n1)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000195213112 548597192 /nfs/dbraw/zinc/59/71/92/548597192.db2.gz ZRWKSGPACBZMHE-UHFFFAOYSA-N -1 1 371.422 2.195 20 0 FEADMM O=C(NCCOCC1CC1)c1cc(I)ccc1[O-] ZINC000224540755 548728722 /nfs/dbraw/zinc/72/87/22/548728722.db2.gz 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O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000261984582 549777140 /nfs/dbraw/zinc/77/71/40/549777140.db2.gz CGWQGUBQBKCIEA-LSDHHAIUSA-N -1 1 354.410 2.289 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000262656242 549835860 /nfs/dbraw/zinc/83/58/60/549835860.db2.gz MPPVTFINKISLRD-CHWSQXEVSA-N -1 1 364.442 2.066 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)[n-]1 ZINC000263774374 549934886 /nfs/dbraw/zinc/93/48/86/549934886.db2.gz MMQUHJLCOZKAKK-UHFFFAOYSA-N -1 1 364.402 2.022 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C(N)=O)c(C)c2)c(=O)[n-]1 ZINC000264029997 549970218 /nfs/dbraw/zinc/97/02/18/549970218.db2.gz MABLQTRFMCGPER-UHFFFAOYSA-N -1 1 360.439 2.191 20 0 FEADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccon3)n2)cc1 ZINC000268488875 550074795 /nfs/dbraw/zinc/07/47/95/550074795.db2.gz LKCCMLKPUPPUQX-LLVKDONJSA-N -1 1 362.411 2.468 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000268537438 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CCc1cc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)no1 ZINC000606990841 554110324 /nfs/dbraw/zinc/11/03/24/554110324.db2.gz RKBPSXYWVNVIPS-UHFFFAOYSA-N -1 1 371.393 2.003 20 0 FEADMM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1c[nH]nc1-c1ccsc1 ZINC000507883471 561744619 /nfs/dbraw/zinc/74/46/19/561744619.db2.gz ZVZCBHVBDWMDMJ-UHFFFAOYSA-N -1 1 353.367 2.072 20 0 FEADMM CS[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000330473709 554125989 /nfs/dbraw/zinc/12/59/89/554125989.db2.gz QOFFNDYLOIVBMH-NSHDSACASA-N -1 1 358.485 2.257 20 0 FEADMM CN(C)S(=O)(=O)Nc1cc([O-])c(Br)cc1Br ZINC000507963887 561747487 /nfs/dbraw/zinc/74/74/87/561747487.db2.gz IMLSPTJHTIRARL-UHFFFAOYSA-N -1 1 374.054 2.136 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000507969334 561747696 /nfs/dbraw/zinc/74/76/96/561747696.db2.gz KVCSLUBVEFMGFN-UHFFFAOYSA-N -1 1 363.435 2.394 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000330725883 554163667 /nfs/dbraw/zinc/16/36/67/554163667.db2.gz 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Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)[C@H](O)C3)c2)cc1 ZINC000509342882 561795768 /nfs/dbraw/zinc/79/57/68/561795768.db2.gz NPGWOHZUEFVDDJ-RDTXWAMCSA-N -1 1 374.462 2.249 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC(c3ncc[nH]3)CC2)c(=O)[n-]1 ZINC000331903252 554343396 /nfs/dbraw/zinc/34/33/96/554343396.db2.gz LYRHIPPMBZCMIU-UHFFFAOYSA-N -1 1 361.471 2.274 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c[nH]1 ZINC000509539984 561804408 /nfs/dbraw/zinc/80/44/08/561804408.db2.gz JRUMLTBYLVCBLX-UHFFFAOYSA-N -1 1 350.381 2.032 20 0 FEADMM O=C(Cc1ccccc1Br)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332359284 554431919 /nfs/dbraw/zinc/43/19/19/554431919.db2.gz CLAIJELLGQTQFI-LLVKDONJSA-N -1 1 366.215 2.486 20 0 FEADMM CCN(C(=O)CNC(=O)c1ncccc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000509963044 561819954 /nfs/dbraw/zinc/81/99/54/561819954.db2.gz ITVQNVXZPOLDLB-CYBMUJFWSA-N -1 1 357.410 2.135 20 0 FEADMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000332450655 554448298 /nfs/dbraw/zinc/44/82/98/554448298.db2.gz MGYCPNWIONGYKG-DGFRNANFSA-N -1 1 372.643 2.433 20 0 FEADMM CCCOc1ccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000510211670 561828376 /nfs/dbraw/zinc/82/83/76/561828376.db2.gz VVTHUVVTDHZPFA-UHFFFAOYSA-N -1 1 362.459 2.263 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)cn21 ZINC000333111241 554573857 /nfs/dbraw/zinc/57/38/57/554573857.db2.gz DZCUCEZWENVDOZ-LLVKDONJSA-N -1 1 365.459 2.198 20 0 FEADMM CC[C@@H]1CCCC[C@H]1c1noc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000349729976 554739690 /nfs/dbraw/zinc/73/96/90/554739690.db2.gz HPHWWKDGOJDZRY-CHWSQXEVSA-N -1 1 367.475 2.274 20 0 FEADMM CC(C)N1CCO[C@H](c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)C1 ZINC000350132224 554762425 /nfs/dbraw/zinc/76/24/25/554762425.db2.gz GFOHIHXWEORHIU-AWEZNQCLSA-N -1 1 367.409 2.472 20 0 FEADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3c[nH]c4ncccc34)cc2N1 ZINC000511188104 561860659 /nfs/dbraw/zinc/86/06/59/561860659.db2.gz CFASUKHKYCYFHT-UHFFFAOYSA-N -1 1 360.370 2.388 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C(=O)N(C)C)nc3)no2)c1 ZINC000350565164 554798120 /nfs/dbraw/zinc/79/81/20/554798120.db2.gz HKPNJUDXUUBYKG-UHFFFAOYSA-N -1 1 367.365 2.164 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)co1 ZINC000362773820 554987356 /nfs/dbraw/zinc/98/73/56/554987356.db2.gz GUGKVCJCVRETQT-UHFFFAOYSA-N -1 1 373.434 2.176 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccnc1N(C)C ZINC000363075067 555024164 /nfs/dbraw/zinc/02/41/64/555024164.db2.gz HHXNVVMQOSXWEX-UHFFFAOYSA-N -1 1 364.409 2.195 20 0 FEADMM Cc1csc([C@H](C)NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000363364208 555086603 /nfs/dbraw/zinc/08/66/03/555086603.db2.gz MHZPUMGGMWWWKJ-LBPRGKRZSA-N -1 1 369.450 2.325 20 0 FEADMM CC[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000363365715 555087165 /nfs/dbraw/zinc/08/71/65/555087165.db2.gz QKSDGIPVJBMBTA-STQMWFEESA-N -1 1 369.347 2.312 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccc(Br)cc1)c2=O ZINC000511902240 561884589 /nfs/dbraw/zinc/88/45/89/561884589.db2.gz UDXKGZLFXLMBHN-UHFFFAOYSA-N -1 1 361.199 2.366 20 0 FEADMM COCCOc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c(C)c1 ZINC000511904174 561884869 /nfs/dbraw/zinc/88/48/69/561884869.db2.gz DTHQYDHIMHQDPC-UHFFFAOYSA-N -1 1 356.382 2.260 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000363426339 555102823 /nfs/dbraw/zinc/10/28/23/555102823.db2.gz DZSYUEWMGTTZHN-ZDUSSCGKSA-N -1 1 372.450 2.138 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2COc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000363531035 555129817 /nfs/dbraw/zinc/12/98/17/555129817.db2.gz SWWMHZKZJAWPPF-CYBMUJFWSA-N -1 1 362.407 2.181 20 0 FEADMM C[C@@H](Sc1nncn1C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363851170 555199356 /nfs/dbraw/zinc/19/93/56/555199356.db2.gz DTUVTJKYKMMDCH-GFCCVEGCSA-N -1 1 374.466 2.123 20 0 FEADMM COCCc1nc2cc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)ccc2o1 ZINC000512163116 561894661 /nfs/dbraw/zinc/89/46/61/561894661.db2.gz HUXOGXAYGAVWHL-UHFFFAOYSA-N -1 1 367.365 2.256 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1C(=O)[O-] ZINC000364127644 555255572 /nfs/dbraw/zinc/25/55/72/555255572.db2.gz ZQIMYZUJFBSNKY-CQSZACIVSA-N -1 1 366.483 2.297 20 0 FEADMM COc1ccc2c(c1)CN(CC(=O)NCC(=O)[O-])[C@@H](C1CCCCC1)C2 ZINC000512264884 561897782 /nfs/dbraw/zinc/89/77/82/561897782.db2.gz NSUAHBXZOJEQMC-GOSISDBHSA-N -1 1 360.454 2.203 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)c1Br ZINC000616011167 555263478 /nfs/dbraw/zinc/26/34/78/555263478.db2.gz KZAQBEQUJIMMEN-AEJSXWLSSA-N -1 1 355.236 2.114 20 0 FEADMM O=C(c1ncccc1[O-])N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000364468931 555319584 /nfs/dbraw/zinc/31/95/84/555319584.db2.gz SLVCIHTYWHJKOC-ZDUSSCGKSA-N -1 1 352.350 2.051 20 0 FEADMM C[C@H](CC(N)=O)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798536 555339436 /nfs/dbraw/zinc/33/94/36/555339436.db2.gz BOLJAVXPIYBRCD-ZCFIWIBFSA-N -1 1 357.233 2.351 20 0 FEADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(Sc2ccccc2)CCCC1 ZINC000364581958 555344485 /nfs/dbraw/zinc/34/44/85/555344485.db2.gz PLNWCBBUMAINSE-AWEZNQCLSA-N -1 1 359.455 2.205 20 0 FEADMM CCc1nccn1C[C@H]1CCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000366066095 555741604 /nfs/dbraw/zinc/74/16/04/555741604.db2.gz UDRMNALSKUEELY-OCCSQVGLSA-N -1 1 374.407 2.140 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000513820325 561951420 /nfs/dbraw/zinc/95/14/20/561951420.db2.gz NBKRTRJXUYOVKN-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)COc2c(C)cccc2C)c1 ZINC000513798910 561950253 /nfs/dbraw/zinc/95/02/53/561950253.db2.gz GXOWXQJWDFVEJI-CYBMUJFWSA-N -1 1 367.423 2.429 20 0 FEADMM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)OC)co1)C1CCCC1 ZINC000513851468 561952531 /nfs/dbraw/zinc/95/25/31/561952531.db2.gz QHBQKVVPDNYWKC-AWEZNQCLSA-N -1 1 359.444 2.330 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000366426148 555839994 /nfs/dbraw/zinc/83/99/94/555839994.db2.gz FHQSRADIGXFQDT-UHFFFAOYSA-N -1 1 358.379 2.059 20 0 FEADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2[O-])[C@H](C(F)F)C1 ZINC000366462361 555850946 /nfs/dbraw/zinc/85/09/46/555850946.db2.gz OBAMVMXLVVMKIS-JTQLQIEISA-N -1 1 357.357 2.114 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccnc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000367392120 556036042 /nfs/dbraw/zinc/03/60/42/556036042.db2.gz MDJLSCSLOFFNBN-SIGLWIIPSA-N -1 1 369.387 2.489 20 0 FEADMM O=C1C[C@H](CN=c2nc(C(F)(F)F)[n-]s2)CN1Cc1ccccc1 ZINC000367425105 556045184 /nfs/dbraw/zinc/04/51/84/556045184.db2.gz AUDSYRAIIYRCRL-LLVKDONJSA-N -1 1 356.373 2.439 20 0 FEADMM Cn1nc(-c2ccccc2)nc1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000367727107 556124558 /nfs/dbraw/zinc/12/45/58/556124558.db2.gz NXAHMFGIGPVPFM-UHFFFAOYSA-N -1 1 358.348 2.438 20 0 FEADMM COCC[C@H]1COCCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000367832833 556150125 /nfs/dbraw/zinc/15/01/25/556150125.db2.gz PTIYSXQGERNLFS-LBPRGKRZSA-N -1 1 350.802 2.471 20 0 FEADMM CC(C)c1nc([C@H]2CCCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)no1 ZINC000367981522 556187360 /nfs/dbraw/zinc/18/73/60/556187360.db2.gz KDPPGMGVRGPJFX-NSHDSACASA-N -1 1 370.413 2.200 20 0 FEADMM COc1cc(NC(=O)COCc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000515027721 561992566 /nfs/dbraw/zinc/99/25/66/561992566.db2.gz SVCQHIWWGNVADW-UHFFFAOYSA-N -1 1 364.423 2.222 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2OC[C@H]3CCC[C@@H]23)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000368187049 556242641 /nfs/dbraw/zinc/24/26/41/556242641.db2.gz VQTUVDUPNMMRSQ-DHRKEOQWSA-N -1 1 362.392 2.106 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(OC[C@H]4CCOC4)CC3)cnc2n1 ZINC000368240622 556256555 /nfs/dbraw/zinc/25/65/55/556256555.db2.gz DHKOKGGTWDWZDM-AWEZNQCLSA-N -1 1 371.437 2.302 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(OC[C@H]3CCOC3)CC1)c2=O ZINC000368240622 556256557 /nfs/dbraw/zinc/25/65/57/556256557.db2.gz DHKOKGGTWDWZDM-AWEZNQCLSA-N -1 1 371.437 2.302 20 0 FEADMM O=C(N=c1ccc(O)n[n-]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000622846270 556290096 /nfs/dbraw/zinc/29/00/96/556290096.db2.gz DWQFCWVNRFXSPS-MFKMUULPSA-N -1 1 365.187 2.056 20 0 FEADMM O=C(N=c1ccc([O-])n[nH]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000622846270 556290097 /nfs/dbraw/zinc/29/00/97/556290097.db2.gz DWQFCWVNRFXSPS-MFKMUULPSA-N -1 1 365.187 2.056 20 0 FEADMM O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1csc(=NC2CC2)[n-]1 ZINC000623036141 556323257 /nfs/dbraw/zinc/32/32/57/556323257.db2.gz SCGHXWARTGOGHM-CQSZACIVSA-N -1 1 363.464 2.117 20 0 FEADMM CC(C)c1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000368500403 556327382 /nfs/dbraw/zinc/32/73/82/556327382.db2.gz BZHSJDKFOJSRSJ-ZDUSSCGKSA-N -1 1 363.784 2.358 20 0 FEADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1 ZINC000515382044 562008249 /nfs/dbraw/zinc/00/82/49/562008249.db2.gz XTVCJGIWTWTENZ-MRXNPFEDSA-N -1 1 354.472 2.335 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000368507843 556330704 /nfs/dbraw/zinc/33/07/04/556330704.db2.gz NEQNPGCICUOUCQ-AWEZNQCLSA-N -1 1 367.354 2.141 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C)c1nn[n-]n1 ZINC000368638052 556370797 /nfs/dbraw/zinc/37/07/97/556370797.db2.gz XIJSLXRHBWFLSN-GFCCVEGCSA-N -1 1 370.457 2.011 20 0 FEADMM COc1cccc2c1ncc(C(=O)[O-])c2N1CC[C@@H](CN2CCOCC2)C1 ZINC000515485925 562012581 /nfs/dbraw/zinc/01/25/81/562012581.db2.gz DJFZCQFRNJTYGV-AWEZNQCLSA-N -1 1 371.437 2.100 20 0 FEADMM CO[C@@H]1C[C@H](C(=O)[O-])N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000515492159 562012855 /nfs/dbraw/zinc/01/28/55/562012855.db2.gz XBYHEUSKDOPDSD-MISYRCLQSA-N -1 1 371.433 2.267 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCOCC2(CCC2)C1 ZINC000368857882 556430808 /nfs/dbraw/zinc/43/08/08/556430808.db2.gz YSSNHAZYHQATPX-UHFFFAOYSA-N -1 1 368.437 2.124 20 0 FEADMM CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)OC ZINC000515683466 562019344 /nfs/dbraw/zinc/01/93/44/562019344.db2.gz LJBVKTKQCHINHW-UHFFFAOYSA-N -1 1 360.476 2.291 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000516221508 562036457 /nfs/dbraw/zinc/03/64/57/562036457.db2.gz HMTZBODQUOXFSB-UHFFFAOYSA-N -1 1 365.333 2.384 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)o1 ZINC000516342684 562040351 /nfs/dbraw/zinc/04/03/51/562040351.db2.gz UHYFHZRKDMSSOC-UHFFFAOYSA-N -1 1 365.407 2.476 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000369957910 556741686 /nfs/dbraw/zinc/74/16/86/556741686.db2.gz JOYULJLCZKCRCR-CYBMUJFWSA-N -1 1 359.430 2.416 20 0 FEADMM Cc1ncc2c(n1)CC[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C2 ZINC000370024547 556760870 /nfs/dbraw/zinc/76/08/70/556760870.db2.gz DWGIINPCQSMSJU-ZDUSSCGKSA-N -1 1 355.442 2.174 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12)c1nn[n-]n1 ZINC000370230532 556817237 /nfs/dbraw/zinc/81/72/37/556817237.db2.gz MGNQBWWWTUHMJD-PGQWDYDZSA-N -1 1 361.833 2.155 20 0 FEADMM CO[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370422449 556868037 /nfs/dbraw/zinc/86/80/37/556868037.db2.gz FPVVOVHKHJJYRR-JKSUJKDBSA-N -1 1 356.426 2.169 20 0 FEADMM CO[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370422448 556868058 /nfs/dbraw/zinc/86/80/58/556868058.db2.gz FPVVOVHKHJJYRR-HOTGVXAUSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCc1cccc(O)c1 ZINC000370726789 556951182 /nfs/dbraw/zinc/95/11/82/556951182.db2.gz KZRKBTYMGHTWSR-UHFFFAOYSA-N -1 1 364.405 2.160 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3csc(C(F)(F)F)c3)CC2)s[n-]1 ZINC000626045388 556981199 /nfs/dbraw/zinc/98/11/99/556981199.db2.gz NMZUTAAMMIEFRV-UHFFFAOYSA-N -1 1 363.390 2.163 20 0 FEADMM O=C(c1ccc(SC(F)(F)F)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370858159 556993073 /nfs/dbraw/zinc/99/30/73/556993073.db2.gz BOBQYIYHMIENEF-SNVBAGLBSA-N -1 1 359.333 2.025 20 0 FEADMM CCc1nc(SCCNS(=O)(=O)c2ccccc2)[n-]c(=O)c1C ZINC000517177557 562078343 /nfs/dbraw/zinc/07/83/43/562078343.db2.gz WDLFGUSMKSOURK-UHFFFAOYSA-N -1 1 353.469 2.124 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCN1CCC[C@](C)(C(=O)[O-])C1 ZINC000517240339 562081958 /nfs/dbraw/zinc/08/19/58/562081958.db2.gz DHZBTIZUTPJKDP-KRWDZBQOSA-N -1 1 355.456 2.046 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3cnn(C(C)C)c3)CC2)c1=N ZINC000371403055 557175123 /nfs/dbraw/zinc/17/51/23/557175123.db2.gz IJGXJVRCDAIPGV-UHFFFAOYSA-N -1 1 360.462 2.087 20 0 FEADMM Cc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccc1S(N)(=O)=O ZINC000517494679 562091310 /nfs/dbraw/zinc/09/13/10/562091310.db2.gz CVQPHOUONQUHRH-UHFFFAOYSA-N -1 1 370.430 2.431 20 0 FEADMM COc1ccccc1NC(=O)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000371488089 557196846 /nfs/dbraw/zinc/19/68/46/557196846.db2.gz NDOOWGPRWWGAAG-UHFFFAOYSA-N -1 1 355.394 2.287 20 0 FEADMM Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000371655705 557253047 /nfs/dbraw/zinc/25/30/47/557253047.db2.gz NAOPJNQFFWSHFG-GFCCVEGCSA-N -1 1 374.832 2.347 20 0 FEADMM CCC(=O)N1CC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000372013625 557356365 /nfs/dbraw/zinc/35/63/65/557356365.db2.gz OXLDHAFFFXOBQO-MRXNPFEDSA-N -1 1 373.453 2.007 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)c1 ZINC000518884422 562120252 /nfs/dbraw/zinc/12/02/52/562120252.db2.gz PBLTZOMCKFVJRE-UHFFFAOYSA-N -1 1 358.379 2.059 20 0 FEADMM CCCCCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000519403682 562131210 /nfs/dbraw/zinc/13/12/10/562131210.db2.gz JAQCVMVHGKSXHF-CYBMUJFWSA-N -1 1 370.519 2.396 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372603333 557518449 /nfs/dbraw/zinc/51/84/49/557518449.db2.gz ZXSOBEAZABCLDR-OAHLLOKOSA-N -1 1 364.377 2.292 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)[C@H](C)CC)CC2)n1 ZINC000373108375 557630595 /nfs/dbraw/zinc/63/05/95/557630595.db2.gz BDTIYRJPNACEAW-VXGBXAGGSA-N -1 1 351.451 2.305 20 0 FEADMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cn1 ZINC000373613049 557729466 /nfs/dbraw/zinc/72/94/66/557729466.db2.gz SNEFHWQJSHFSBU-UHFFFAOYSA-N -1 1 372.406 2.414 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(C)c2)C1 ZINC000373792971 557760604 /nfs/dbraw/zinc/76/06/04/557760604.db2.gz YEIKINNLRGJUNY-HDJSIYSDSA-N -1 1 363.439 2.119 20 0 FEADMM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000520947795 562166323 /nfs/dbraw/zinc/16/63/23/562166323.db2.gz OASPZMPPIWYDCK-UHFFFAOYSA-N -1 1 352.387 2.479 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)cc(Cl)c1[O-] ZINC000374867495 557943526 /nfs/dbraw/zinc/94/35/26/557943526.db2.gz CXKKDYNIQXNRND-QWHCGFSZSA-N -1 1 352.818 2.328 20 0 FEADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@@H]1CCCc2cccnc21 ZINC000375487740 558036213 /nfs/dbraw/zinc/03/62/13/558036213.db2.gz NNIMPYYTLMCWOE-CQSZACIVSA-N -1 1 363.439 2.122 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000375642179 558061231 /nfs/dbraw/zinc/06/12/31/558061231.db2.gz QPSSBVGYUZKYTB-UHLUBPPHSA-N -1 1 361.324 2.162 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCn3nccc32)c1)OCC(F)(F)F ZINC000375915400 558099042 /nfs/dbraw/zinc/09/90/42/558099042.db2.gz XIWINLUQMRXNAX-UHFFFAOYSA-N -1 1 370.287 2.360 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(Oc4cnccn4)CC3)cnc2n1 ZINC000376040672 558118014 /nfs/dbraw/zinc/11/80/14/558118014.db2.gz BFMWRDWXTFBJHY-UHFFFAOYSA-N -1 1 365.393 2.117 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(Oc3cnccn3)CC1)c2=O ZINC000376040672 558118016 /nfs/dbraw/zinc/11/80/16/558118016.db2.gz BFMWRDWXTFBJHY-UHFFFAOYSA-N -1 1 365.393 2.117 20 0 FEADMM Cc1nnc2n1CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000376327471 558158305 /nfs/dbraw/zinc/15/83/05/558158305.db2.gz JQBJCTVWONXJQQ-JTQLQIEISA-N -1 1 362.789 2.332 20 0 FEADMM C[C@H]1c2nnc(C3CCCC3)n2CCN1CCC[N-]C(=O)C(F)(F)F ZINC000376499074 558181274 /nfs/dbraw/zinc/18/12/74/558181274.db2.gz AYWWWEMLLMDGEN-NSHDSACASA-N -1 1 359.396 2.381 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)s1 ZINC000376541769 558187945 /nfs/dbraw/zinc/18/79/45/558187945.db2.gz QIHLRFHXHSLOBZ-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H]3C[C@H]3c3cnn(-c4ccccc4)c3)ccnc1-2 ZINC000376629665 558199944 /nfs/dbraw/zinc/19/99/44/558199944.db2.gz SJNGDFWDOXCTQJ-YNBYTQKQSA-N -1 1 373.420 2.205 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CCCc3cn[nH]c32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377111955 558268903 /nfs/dbraw/zinc/26/89/03/558268903.db2.gz MYTCXDXDVCDNIV-DJIHRAIXSA-N -1 1 372.391 2.134 20 0 FEADMM Cc1ncc(-c2noc(-c3cccn(Cc4ccccc4)c3=O)n2)c(=N)[n-]1 ZINC000521967429 562187542 /nfs/dbraw/zinc/18/75/42/562187542.db2.gz OAEJOSHBUGEJKY-UHFFFAOYSA-N -1 1 360.377 2.294 20 0 FEADMM O=C(N[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1)C1CCC1 ZINC000377575501 558369307 /nfs/dbraw/zinc/36/93/07/558369307.db2.gz PLTWIJHQKBFIGF-GFCCVEGCSA-N -1 1 367.243 2.286 20 0 FEADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000377637030 558382854 /nfs/dbraw/zinc/38/28/54/558382854.db2.gz NIDUZMRVKIQZAI-LBPRGKRZSA-N -1 1 359.813 2.153 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000377835286 558431453 /nfs/dbraw/zinc/43/14/53/558431453.db2.gz SFOXLGOKYHEPNR-CYBMUJFWSA-N -1 1 365.459 2.233 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000377835286 558431454 /nfs/dbraw/zinc/43/14/54/558431454.db2.gz SFOXLGOKYHEPNR-CYBMUJFWSA-N -1 1 365.459 2.233 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCN(c2cccnc2)C1 ZINC000377968216 558454127 /nfs/dbraw/zinc/45/41/27/558454127.db2.gz SKIWMBWQWAILCO-ZDUSSCGKSA-N -1 1 355.442 2.192 20 0 FEADMM O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nnn[n-]2)c1 ZINC000522930957 562206193 /nfs/dbraw/zinc/20/61/93/562206193.db2.gz WCODXVFOJNGJCX-UHFFFAOYSA-N -1 1 356.411 2.475 20 0 FEADMM O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nn[n-]n2)c1 ZINC000522930957 562206194 /nfs/dbraw/zinc/20/61/94/562206194.db2.gz WCODXVFOJNGJCX-UHFFFAOYSA-N -1 1 356.411 2.475 20 0 FEADMM O=C(N=c1[n-]nc2ccccn21)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000378520962 558574355 /nfs/dbraw/zinc/57/43/55/558574355.db2.gz OEUMSUBJADPVIO-CQSZACIVSA-N -1 1 374.408 2.883 20 0 FEADMM O=C(N=c1[n-]nc2ccccn21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000378520962 558574359 /nfs/dbraw/zinc/57/43/59/558574359.db2.gz OEUMSUBJADPVIO-CQSZACIVSA-N -1 1 374.408 2.883 20 0 FEADMM CCN(C[C@@H](C)OC)C(=O)c1ccc(I)c([O-])c1 ZINC000383076530 558604827 /nfs/dbraw/zinc/60/48/27/558604827.db2.gz YLSZFNRIBJZVFM-SECBINFHSA-N -1 1 363.195 2.494 20 0 FEADMM CO[C@@H](CNC(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000393471668 558621093 /nfs/dbraw/zinc/62/10/93/558621093.db2.gz NJTLNFXXEIVZJH-LBPRGKRZSA-N -1 1 361.179 2.152 20 0 FEADMM C[C@H](O)C[C@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000397816848 558625528 /nfs/dbraw/zinc/62/55/28/558625528.db2.gz LHDMNQMBYHHELL-IUCAKERBSA-N -1 1 363.195 2.134 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1 ZINC000524291499 562226576 /nfs/dbraw/zinc/22/65/76/562226576.db2.gz MKKCNAKEKAIPCZ-UHFFFAOYSA-N -1 1 370.452 2.005 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1C ZINC000524568587 562230506 /nfs/dbraw/zinc/23/05/06/562230506.db2.gz QBLKMYFFCJLZSG-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000410362332 558753180 /nfs/dbraw/zinc/75/31/80/558753180.db2.gz GFIFGUUAKBSORO-UHFFFAOYSA-N -1 1 352.799 2.175 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000525719311 562253234 /nfs/dbraw/zinc/25/32/34/562253234.db2.gz ZQVYWHVRYIOFDM-RYUDHWBXSA-N -1 1 358.467 2.448 20 0 FEADMM COc1cc(F)cc(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414653087 559177362 /nfs/dbraw/zinc/17/73/62/559177362.db2.gz HMOZKUOLORLQIB-ROUUACIJSA-N -1 1 372.396 2.351 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OCC(F)(F)F)cn2)n1 ZINC000415650226 559258110 /nfs/dbraw/zinc/25/81/10/559258110.db2.gz RUTSLCGVLQCHFT-UHFFFAOYSA-N -1 1 358.276 2.175 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000416196193 559297601 /nfs/dbraw/zinc/29/76/01/559297601.db2.gz WHFXSRSDIAPCFO-NSHDSACASA-N -1 1 357.410 2.481 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000416239067 559300417 /nfs/dbraw/zinc/30/04/17/559300417.db2.gz GXEWXHQJGMAVCU-MJBXVCDLSA-N -1 1 355.394 2.305 20 0 FEADMM O=C1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1 ZINC000416588513 559323536 /nfs/dbraw/zinc/32/35/36/559323536.db2.gz RBPRXQOGPJSCNM-LURJTMIESA-N -1 1 357.646 2.061 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C1(O)CCOCC1 ZINC000416656818 559328148 /nfs/dbraw/zinc/32/81/48/559328148.db2.gz JCUCDRZMPBNEID-UHFFFAOYSA-N -1 1 365.854 2.325 20 0 FEADMM COc1cccc([C@H](CC(=O)[O-])NCc2cnn(CC(F)F)c2)c1OC ZINC000417581377 559367842 /nfs/dbraw/zinc/36/78/42/559367842.db2.gz HLIIEDCRYAEZDI-ZDUSSCGKSA-N -1 1 369.368 2.471 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C)OC ZINC000420657632 559495662 /nfs/dbraw/zinc/49/56/62/559495662.db2.gz AVUQKOSJXNFDMA-UONOGXRCSA-N -1 1 368.459 2.173 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1F ZINC000420716166 559500151 /nfs/dbraw/zinc/50/01/51/559500151.db2.gz BSYSLMQTTCSSJW-ZDUSSCGKSA-N -1 1 369.336 2.160 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(C(N)=O)c(C)c1 ZINC000421145280 559526646 /nfs/dbraw/zinc/52/66/46/559526646.db2.gz CVFKHKWVVHCEKG-MRXNPFEDSA-N -1 1 362.451 2.093 20 0 FEADMM CCCN1C[C@@H](CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1=O ZINC000421915909 559556385 /nfs/dbraw/zinc/55/63/85/559556385.db2.gz KTJPCUZAAQDKAD-LLVKDONJSA-N -1 1 354.834 2.433 20 0 FEADMM O=S(=O)(CCOCC1CC1)[N-]c1n[nH]c(SCc2ccccc2)n1 ZINC000424214893 559658044 /nfs/dbraw/zinc/65/80/44/559658044.db2.gz YLMYNRGWTFANQA-UHFFFAOYSA-N -1 1 368.484 2.265 20 0 FEADMM COc1ccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc1OC ZINC000424249704 559659257 /nfs/dbraw/zinc/65/92/57/559659257.db2.gz AUQFSGJDSGXENL-AWEZNQCLSA-N -1 1 350.415 2.362 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(C3(c4ccc(F)cc4)CC3)no2)co1 ZINC000424364825 559662120 /nfs/dbraw/zinc/66/21/20/559662120.db2.gz RSXCYSXEWFYABO-UHFFFAOYSA-N -1 1 363.370 2.457 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000424394707 559662904 /nfs/dbraw/zinc/66/29/04/559662904.db2.gz NMSAZHVCHIFVOF-CRAIPNDOSA-N -1 1 361.486 2.479 20 0 FEADMM CC(C)C[C@@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C(=O)[O-] ZINC000424424959 559663976 /nfs/dbraw/zinc/66/39/76/559663976.db2.gz PQYBSQKMPBAYHD-KBPBESRZSA-N -1 1 363.462 2.318 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000424549796 559669036 /nfs/dbraw/zinc/66/90/36/559669036.db2.gz WTPHZOLPQOFBPS-MYYSRTQBSA-N -1 1 366.508 2.283 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000424605615 559670875 /nfs/dbraw/zinc/67/08/75/559670875.db2.gz WWBXLRDRJOAWNN-SMDDNHRTSA-N -1 1 372.874 2.061 20 0 FEADMM COc1cccc2c(C(=O)N=c3ccn(CCC(F)(F)F)[nH]3)n[nH]c21 ZINC000425102682 559687327 /nfs/dbraw/zinc/68/73/27/559687327.db2.gz QDZKZZRHGLKCCQ-UHFFFAOYSA-N -1 1 353.304 2.973 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCc2cn3c(n2)CCCC3)c(F)c1 ZINC000425144684 559688509 /nfs/dbraw/zinc/68/85/09/559688509.db2.gz RSEKECMQOFSAPI-UHFFFAOYSA-N -1 1 355.410 2.327 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)c(F)c1 ZINC000425173179 559689441 /nfs/dbraw/zinc/68/94/41/559689441.db2.gz VOVJNWZBHLHWPV-CYBMUJFWSA-N -1 1 359.369 2.294 20 0 FEADMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC000425175707 559689634 /nfs/dbraw/zinc/68/96/34/559689634.db2.gz KOMPRKISSGIMQI-AWEZNQCLSA-N -1 1 355.406 2.464 20 0 FEADMM O=C(c1ccc(Cn2cccn2)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425314871 559696226 /nfs/dbraw/zinc/69/62/26/559696226.db2.gz AKWQFRLEQTXIJW-UHFFFAOYSA-N -1 1 353.382 2.040 20 0 FEADMM O=C(c1cnc2c(Cl)cccc2c1O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425312269 559696322 /nfs/dbraw/zinc/69/63/22/559696322.db2.gz ZDNZLFUJBJGECH-SECBINFHSA-N -1 1 374.784 2.290 20 0 FEADMM C[C@@H](Cn1ncc2ccccc21)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317536 559696373 /nfs/dbraw/zinc/69/63/73/559696373.db2.gz GFGXZWOEZBCDSD-LBPRGKRZSA-N -1 1 355.398 2.167 20 0 FEADMM CC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000426619390 559739130 /nfs/dbraw/zinc/73/91/30/559739130.db2.gz QIDNNRYIHIBYCA-CQSZACIVSA-N -1 1 357.410 2.135 20 0 FEADMM Cc1cnn(C[C@H](NCc2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000426721641 559740942 /nfs/dbraw/zinc/74/09/42/559740942.db2.gz COZHUFZVMIJMQO-ZDUSSCGKSA-N -1 1 356.195 2.336 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nc4ccc(C)cc4[nH]3)cc12 ZINC000427643577 559759545 /nfs/dbraw/zinc/75/95/45/559759545.db2.gz ARQRBGNXOJEYBL-UHFFFAOYSA-N -1 1 356.411 2.262 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)cn1C ZINC000427648280 559759718 /nfs/dbraw/zinc/75/97/18/559759718.db2.gz PAHUQBDKHANKIZ-UHFFFAOYSA-N -1 1 362.411 2.187 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cnc1C ZINC000427783761 559762484 /nfs/dbraw/zinc/76/24/84/559762484.db2.gz ZOOXHMZSDMPXBL-CYBMUJFWSA-N -1 1 366.361 2.186 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(N)=O)cc1F ZINC000430080510 559812578 /nfs/dbraw/zinc/81/25/78/559812578.db2.gz VDLSRJAQXNISNF-UHFFFAOYSA-N -1 1 370.427 2.213 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4nc[nH]n4)cc3)ccc2[nH]1 ZINC000432175608 559853384 /nfs/dbraw/zinc/85/33/84/559853384.db2.gz IYGBEHWGTQRCKZ-UHFFFAOYSA-N -1 1 367.390 2.114 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C1CCOCC1 ZINC000432218007 559854349 /nfs/dbraw/zinc/85/43/49/559854349.db2.gz JAPRLBJZPHKXQV-HQVVEAJESA-N -1 1 373.515 2.235 20 0 FEADMM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)N(C)C ZINC000434960297 559913312 /nfs/dbraw/zinc/91/33/12/559913312.db2.gz QYNFWVMBBCYENW-CQSZACIVSA-N -1 1 369.512 2.350 20 0 FEADMM COc1ccc(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)c(OC)c1 ZINC000435209228 559917964 /nfs/dbraw/zinc/91/79/64/559917964.db2.gz VVULNBYBYAJREC-UHFFFAOYSA-N -1 1 356.469 2.298 20 0 FEADMM CN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1=O ZINC000435441355 559923182 /nfs/dbraw/zinc/92/31/82/559923182.db2.gz BNBHIIQIGMNCJV-SNVBAGLBSA-N -1 1 355.218 2.032 20 0 FEADMM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435442807 559923277 /nfs/dbraw/zinc/92/32/77/559923277.db2.gz NAJJLLLLIIPBGB-GZMMTYOYSA-N -1 1 369.245 2.326 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1 ZINC000436150931 559936198 /nfs/dbraw/zinc/93/61/98/559936198.db2.gz KWGKRSUHMSAJFD-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000436175741 559936704 /nfs/dbraw/zinc/93/67/04/559936704.db2.gz GTMGNGPQFLQTJJ-WDEREUQCSA-N -1 1 364.464 2.006 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccnc2OCC(F)F)c1 ZINC000436501579 559943264 /nfs/dbraw/zinc/94/32/64/559943264.db2.gz AVPGNTPPCDQKPX-UHFFFAOYSA-N -1 1 352.293 2.470 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3c(C)nn(C)c3nc2C)c1 ZINC000436503146 559943545 /nfs/dbraw/zinc/94/35/45/559943545.db2.gz FQZXMKOTIQFJIX-UHFFFAOYSA-N -1 1 354.366 2.330 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](NC(=O)C(C)(C)C)C(C)C)c1 ZINC000436516923 559943969 /nfs/dbraw/zinc/94/39/69/559943969.db2.gz YBCDPBDXXFHWNC-AWEZNQCLSA-N -1 1 350.415 2.304 20 0 FEADMM NC(=O)NC(=O)C1CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436589822 559946038 /nfs/dbraw/zinc/94/60/38/559946038.db2.gz QUJOGFXJNWJTTB-UHFFFAOYSA-N -1 1 355.394 2.029 20 0 FEADMM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(F)cc(Br)c1[O-] ZINC000436597481 559946301 /nfs/dbraw/zinc/94/63/01/559946301.db2.gz VOHSLZKDEUAMOF-QMMMGPOBSA-N -1 1 354.179 2.304 20 0 FEADMM O=C(N[C@H](CCO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000436614424 559946640 /nfs/dbraw/zinc/94/66/40/559946640.db2.gz XJSMLNGWMCOFKS-CYBMUJFWSA-N -1 1 358.232 2.062 20 0 FEADMM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)C1=O ZINC000436641959 559947478 /nfs/dbraw/zinc/94/74/78/559947478.db2.gz YEPRCIRMXWBCLD-HNNXBMFYSA-N -1 1 367.361 2.048 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436668280 559948250 /nfs/dbraw/zinc/94/82/50/559948250.db2.gz XGKYDXRRANUQSN-CQSZACIVSA-N -1 1 358.781 2.150 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000436770935 559951440 /nfs/dbraw/zinc/95/14/40/559951440.db2.gz RCUILEASLYKKJR-GFCCVEGCSA-N -1 1 372.899 2.136 20 0 FEADMM CCn1nccc1NC(=O)c1cc(I)ccc1[O-] ZINC000436774954 559951717 /nfs/dbraw/zinc/95/17/17/559951717.db2.gz VFOHBHSFLJNKLY-UHFFFAOYSA-N -1 1 357.151 2.466 20 0 FEADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436774448 559951724 /nfs/dbraw/zinc/95/17/24/559951724.db2.gz WMIAUKTXIKYYNY-LBPRGKRZSA-N -1 1 361.419 2.198 20 0 FEADMM Cc1cc(N2CCC(NC(=O)c3cnc4nc(C)ccc4c3[O-])CC2)n[nH]1 ZINC000527386361 562287497 /nfs/dbraw/zinc/28/74/97/562287497.db2.gz YEDHHFOYNAOOEE-UHFFFAOYSA-N -1 1 366.425 2.074 20 0 FEADMM Cc1cc(N2CCC(NC(=O)c3c[n-]c4nc(C)ccc4c3=O)CC2)n[nH]1 ZINC000527386361 562287498 /nfs/dbraw/zinc/28/74/98/562287498.db2.gz YEDHHFOYNAOOEE-UHFFFAOYSA-N -1 1 366.425 2.074 20 0 FEADMM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000436969586 559957930 /nfs/dbraw/zinc/95/79/30/559957930.db2.gz ZCUDJXUFJBDQON-UHFFFAOYSA-N -1 1 370.430 2.403 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000436981373 559958334 /nfs/dbraw/zinc/95/83/34/559958334.db2.gz CGQQTKLQYPHSEZ-ZETCQYMHSA-N -1 1 365.333 2.503 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000436981373 559958335 /nfs/dbraw/zinc/95/83/35/559958335.db2.gz CGQQTKLQYPHSEZ-ZETCQYMHSA-N -1 1 365.333 2.503 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)cc1 ZINC000438750675 559983120 /nfs/dbraw/zinc/98/31/20/559983120.db2.gz AHISRXGVRZSORK-UHFFFAOYSA-N -1 1 365.480 2.497 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)cc1C(=O)[O-] ZINC000439246789 559990717 /nfs/dbraw/zinc/99/07/17/559990717.db2.gz MGCPXIVXFPFVPZ-UHFFFAOYSA-N -1 1 364.408 2.043 20 0 FEADMM C[C@](O)(CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000440213524 560006777 /nfs/dbraw/zinc/00/67/77/560006777.db2.gz IIKKFNLWTUMVOO-IBGZPJMESA-N -1 1 374.462 2.378 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@@H](OC)C[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000441639580 560036647 /nfs/dbraw/zinc/03/66/47/560036647.db2.gz UPTRBUIOXJGQPO-WCQYABFASA-N -1 1 371.459 2.098 20 0 FEADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000441711595 560038026 /nfs/dbraw/zinc/03/80/26/560038026.db2.gz BZOCTLCZSPKLQR-RYUDHWBXSA-N -1 1 358.460 2.044 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc(C)c1Cl ZINC000442215377 560046222 /nfs/dbraw/zinc/04/62/22/560046222.db2.gz DENVJZQBTWWAGQ-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)ccc2n1 ZINC000442628589 560054011 /nfs/dbraw/zinc/05/40/11/560054011.db2.gz YGFIGFFMECBZCR-UHFFFAOYSA-N -1 1 358.423 2.145 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000442766403 560056723 /nfs/dbraw/zinc/05/67/23/560056723.db2.gz JQZNEBSCXANDMR-VXNVDRBHSA-N -1 1 366.283 2.081 20 0 FEADMM C[C@H]1OCC[C@H]1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000442768794 560056923 /nfs/dbraw/zinc/05/69/23/560056923.db2.gz MFNODWYKJVJDJX-FVQBIDKESA-N -1 1 369.483 2.036 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)Cc1cc(C)cc(C)c1 ZINC000442812972 560058114 /nfs/dbraw/zinc/05/81/14/560058114.db2.gz SDSIKPNXGZHVNA-CYBMUJFWSA-N -1 1 365.455 2.113 20 0 FEADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2O1 ZINC000442837827 560059085 /nfs/dbraw/zinc/05/90/85/560059085.db2.gz QWHBLNXQAJDEKF-KRWDZBQOSA-N -1 1 362.407 2.484 20 0 FEADMM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442940543 560062891 /nfs/dbraw/zinc/06/28/91/560062891.db2.gz CGUZFDRXLFMZFL-LBPRGKRZSA-N -1 1 372.874 2.438 20 0 FEADMM CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442941487 560062909 /nfs/dbraw/zinc/06/29/09/560062909.db2.gz FUMXJPODXLYHAC-GFCCVEGCSA-N -1 1 372.874 2.486 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC)c1ccc(F)cc1F ZINC000443120392 560071492 /nfs/dbraw/zinc/07/14/92/560071492.db2.gz VPLWJSXYNXTIFE-CYBMUJFWSA-N -1 1 373.381 2.294 20 0 FEADMM COc1cc(C(=O)N2CCC(CC(=O)N(C)C)CC2)cc(Cl)c1[O-] ZINC000443133890 560072111 /nfs/dbraw/zinc/07/21/11/560072111.db2.gz OPZWSAYDZAOUQZ-UHFFFAOYSA-N -1 1 354.834 2.385 20 0 FEADMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)no1 ZINC000443150668 560072690 /nfs/dbraw/zinc/07/26/90/560072690.db2.gz DAZUMPOYGSHZJB-UHFFFAOYSA-N -1 1 373.456 2.002 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn(C)c3=O)cc1 ZINC000443526375 560086291 /nfs/dbraw/zinc/08/62/91/560086291.db2.gz DGBDXPCBSYLQAN-UHFFFAOYSA-N -1 1 358.419 2.486 20 0 FEADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CC2CCCCC2)(C(=O)OC)C1(C)C ZINC000444277108 560107778 /nfs/dbraw/zinc/10/77/78/560107778.db2.gz PJZMJJPMVJZQQX-RHSMWYFYSA-N -1 1 361.504 2.233 20 0 FEADMM O=C(Cn1ccccc1=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444348296 560110799 /nfs/dbraw/zinc/11/07/99/560110799.db2.gz BHJZIINWBWEVBY-UHFFFAOYSA-N -1 1 369.421 2.255 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444668814 560117827 /nfs/dbraw/zinc/11/78/27/560117827.db2.gz ZQKUAIZCAJTFTL-CQSZACIVSA-N -1 1 357.801 2.438 20 0 FEADMM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000444821797 560121682 /nfs/dbraw/zinc/12/16/82/560121682.db2.gz CPBOVOQISMUOTI-NSHDSACASA-N -1 1 358.423 2.448 20 0 FEADMM O=c1c2ccccc2nnn1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445444443 560132356 /nfs/dbraw/zinc/13/23/56/560132356.db2.gz FXDPECWKISFYRM-UHFFFAOYSA-N -1 1 355.741 2.249 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2N(C)C(C)C)c1 ZINC000445750885 560134645 /nfs/dbraw/zinc/13/46/45/560134645.db2.gz SZXLHMFDQYNDNX-UHFFFAOYSA-N -1 1 366.439 2.389 20 0 FEADMM CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447496665 560163233 /nfs/dbraw/zinc/16/32/33/560163233.db2.gz GYYUUHOMDIAEPC-NSHDSACASA-N -1 1 353.419 2.246 20 0 FEADMM CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447496665 560163234 /nfs/dbraw/zinc/16/32/34/560163234.db2.gz GYYUUHOMDIAEPC-NSHDSACASA-N -1 1 353.419 2.246 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)CCCCCO ZINC000447642895 560165771 /nfs/dbraw/zinc/16/57/71/560165771.db2.gz DKAIMRGWUQLFHM-UHFFFAOYSA-N -1 1 358.442 2.106 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3C[C@@H]3C3CC3)c2)n1 ZINC000447679008 560166735 /nfs/dbraw/zinc/16/67/35/560166735.db2.gz BSYUQOLMRWQIIB-CABCVRRESA-N -1 1 354.410 2.311 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)C23CCC(C(=O)OC)(CC2)C3)c1Br ZINC000448316398 560184010 /nfs/dbraw/zinc/18/40/10/560184010.db2.gz TYZUEPPTBJUKHC-UHFFFAOYSA-N -1 1 370.247 2.797 20 0 FEADMM CCCc1cc(=O)[n-]c(SCc2nc(-c3cc(OC)ncn3)no2)n1 ZINC000450625076 560268400 /nfs/dbraw/zinc/26/84/00/560268400.db2.gz DMXHGGQJHXLAFE-UHFFFAOYSA-N -1 1 360.399 2.276 20 0 FEADMM CC(C)NC(=O)CCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450696824 560270531 /nfs/dbraw/zinc/27/05/31/560270531.db2.gz MCMUGTMCGSQRLJ-UHFFFAOYSA-N -1 1 365.821 2.464 20 0 FEADMM CC(C)NC(=O)CCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450696824 560270532 /nfs/dbraw/zinc/27/05/32/560270532.db2.gz MCMUGTMCGSQRLJ-UHFFFAOYSA-N -1 1 365.821 2.464 20 0 FEADMM O=c1[n-]nc([C@H]2CCCN(Cc3ccc(OCC(F)(F)F)nc3)C2)o1 ZINC000450897053 560277362 /nfs/dbraw/zinc/27/73/62/560277362.db2.gz PURNZOHBUYEUNE-NSHDSACASA-N -1 1 358.320 2.491 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cccc3c2cc[nH]c3=O)CCCC1 ZINC000451104510 560287452 /nfs/dbraw/zinc/28/74/52/560287452.db2.gz KTLBTWCEIVAYSC-UHFFFAOYSA-N -1 1 364.423 2.416 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1Cl ZINC000451113831 560287858 /nfs/dbraw/zinc/28/78/58/560287858.db2.gz JRVZHXMESYEFPK-UHFFFAOYSA-N -1 1 372.834 2.095 20 0 FEADMM O=S(=O)([N-][C@H](CCO)C1CCOCC1)c1cc2cc(F)ccc2o1 ZINC000451390180 560303953 /nfs/dbraw/zinc/30/39/53/560303953.db2.gz BYRLYXMSJVVDMB-CQSZACIVSA-N -1 1 357.403 2.028 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)OC ZINC000451578855 560315924 /nfs/dbraw/zinc/31/59/24/560315924.db2.gz ISLSLLIRTRHRKY-VIFPVBQESA-N -1 1 363.844 2.021 20 0 FEADMM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000451685008 560321873 /nfs/dbraw/zinc/32/18/73/560321873.db2.gz JYNLQMZGNHRQPX-MRVPVSSYSA-N -1 1 372.231 2.414 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CC)CC2)c(F)c1 ZINC000451687548 560322016 /nfs/dbraw/zinc/32/20/16/560322016.db2.gz ILEBAJJEOIFUEJ-UHFFFAOYSA-N -1 1 364.464 2.198 20 0 FEADMM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCO1 ZINC000451817845 560330605 /nfs/dbraw/zinc/33/06/05/560330605.db2.gz MVLOYJZETMIZFP-MNOVXSKESA-N -1 1 369.409 2.168 20 0 FEADMM CCN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1=O ZINC000451874023 560333561 /nfs/dbraw/zinc/33/35/61/560333561.db2.gz XHQDRVCATINUIR-QMMMGPOBSA-N -1 1 370.780 2.258 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2(Cc3ccc(F)cc3)CC2)c1 ZINC000451946087 560339886 /nfs/dbraw/zinc/33/98/86/560339886.db2.gz KNLHOZJPLAJMOV-UHFFFAOYSA-N -1 1 353.371 2.259 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3cccs3)C2)o1 ZINC000451964378 560340909 /nfs/dbraw/zinc/34/09/09/560340909.db2.gz KFFYYTOBELWMEA-CMPLNLGQSA-N -1 1 371.436 2.326 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCN(C)c3ccccc32)c1 ZINC000451991830 560343123 /nfs/dbraw/zinc/34/31/23/560343123.db2.gz LFZDWIHIJFZKDQ-AWEZNQCLSA-N -1 1 364.423 2.316 20 0 FEADMM CCc1nc(CNC(=O)c2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000452181451 560354952 /nfs/dbraw/zinc/35/49/52/560354952.db2.gz KCGWAQUCSPPKRE-UHFFFAOYSA-N -1 1 359.611 2.419 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(C)cc3C)CC2)co1 ZINC000452311047 560357891 /nfs/dbraw/zinc/35/78/91/560357891.db2.gz LBCDGJRQLBARIW-UHFFFAOYSA-N -1 1 362.451 2.266 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)C(C)(F)F)cc1[N-]S(C)(=O)=O ZINC000454896560 560462654 /nfs/dbraw/zinc/46/26/54/560462654.db2.gz PARAHAFCDJZGGQ-QMMMGPOBSA-N -1 1 351.375 2.232 20 0 FEADMM CC(C)c1nc(CNC(=O)N=c2[n-]nc(C=Cc3ccco3)s2)n[nH]1 ZINC000455050447 560468340 /nfs/dbraw/zinc/46/83/40/560468340.db2.gz NCFOIBBYZNHOFM-WAYWQWQTSA-N -1 1 359.415 2.865 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N=c1nc2n([n-]1)CCCC2)c1ccsc1 ZINC000455983853 560503347 /nfs/dbraw/zinc/50/33/47/560503347.db2.gz PXIMEUMPELUDKG-CQSZACIVSA-N -1 1 362.503 2.881 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456375760 560518110 /nfs/dbraw/zinc/51/81/10/560518110.db2.gz KGKOMTGYZKHXHK-AWEZNQCLSA-N -1 1 357.801 2.438 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)o1 ZINC000456825620 560533904 /nfs/dbraw/zinc/53/39/04/560533904.db2.gz FUNKBDNRPZKQMY-ZDUSSCGKSA-N -1 1 370.377 2.443 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)C1(O)CCCC1 ZINC000456864487 560534811 /nfs/dbraw/zinc/53/48/11/560534811.db2.gz VNKWLJHTVZIGGU-UHFFFAOYSA-N -1 1 374.485 2.432 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCOCC2CCCC2)c(=O)[n-]1 ZINC000457139955 560552737 /nfs/dbraw/zinc/55/27/37/560552737.db2.gz ATVWRAXNPCONPZ-UHFFFAOYSA-N -1 1 353.488 2.468 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3C[C@H]3CC(C)C)CC2)n1 ZINC000459239981 560675676 /nfs/dbraw/zinc/67/56/76/560675676.db2.gz PVUBYWIIQFSWOI-ZIAGYGMSSA-N -1 1 363.462 2.305 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1 ZINC000460437121 560743748 /nfs/dbraw/zinc/74/37/48/560743748.db2.gz KLCNJLSZNCBSMC-UHFFFAOYSA-N -1 1 371.422 2.051 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(N3CN=NC3=O)c2C)c1 ZINC000461082757 560760886 /nfs/dbraw/zinc/76/08/86/560760886.db2.gz DHCCZRNTZWOQLF-UHFFFAOYSA-N -1 1 367.365 2.198 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nn(C)c3C)cc1 ZINC000461335828 560766956 /nfs/dbraw/zinc/76/69/56/560766956.db2.gz BYTCCOGCYWWCQC-UHFFFAOYSA-N -1 1 358.423 2.042 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc12 ZINC000461345534 560767456 /nfs/dbraw/zinc/76/74/56/560767456.db2.gz RGVCRGUYXWMTDX-UHFFFAOYSA-N -1 1 370.434 2.201 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C(F)F)c2)c1 ZINC000461454386 560772053 /nfs/dbraw/zinc/77/20/53/560772053.db2.gz SMRKLBBHYBWQAC-UHFFFAOYSA-N -1 1 356.350 2.490 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CCc3ccccc3C2)c1 ZINC000461456771 560772185 /nfs/dbraw/zinc/77/21/85/560772185.db2.gz LSMHXBYJPZDVEB-IBGZPJMESA-N -1 1 374.462 2.434 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)F)cc2)c1 ZINC000461461993 560772522 /nfs/dbraw/zinc/77/25/22/560772522.db2.gz XMCACEUAUFTVRL-UHFFFAOYSA-N -1 1 356.350 2.490 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000461467050 560773021 /nfs/dbraw/zinc/77/30/21/560773021.db2.gz XETNSEBCTVGPEN-KGLIPLIRSA-N -1 1 352.456 2.455 20 0 FEADMM CC(C)(NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000461638483 560778409 /nfs/dbraw/zinc/77/84/09/560778409.db2.gz ZKBBOXQLWVRIKH-MNOVXSKESA-N -1 1 350.220 2.117 20 0 FEADMM CC(C)c1cc(C(=O)NC(C)(C)c2nn[n-]n2)c2cnn(C(C)C)c2n1 ZINC000461650058 560778907 /nfs/dbraw/zinc/77/89/07/560778907.db2.gz UGSSGBUILOVGTF-UHFFFAOYSA-N -1 1 356.434 2.314 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)[C@H](C)COC)c1 ZINC000461798027 560784437 /nfs/dbraw/zinc/78/44/37/560784437.db2.gz SBRJWECMHOQZDT-OLZOCXBDSA-N -1 1 372.487 2.280 20 0 FEADMM Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccccn1 ZINC000462065116 560794638 /nfs/dbraw/zinc/79/46/38/560794638.db2.gz KSGTYWFZWUQKCO-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000466723468 560893680 /nfs/dbraw/zinc/89/36/80/560893680.db2.gz UTDNGYKYSLHJNB-GFCCVEGCSA-N -1 1 374.256 2.232 20 0 FEADMM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000467864446 560919010 /nfs/dbraw/zinc/91/90/10/560919010.db2.gz BEUTYZWABKYVIU-GOEBONIOSA-N -1 1 353.422 2.312 20 0 FEADMM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000468002580 560920964 /nfs/dbraw/zinc/92/09/64/560920964.db2.gz DYCQALCJKCMXGF-UHFFFAOYSA-N -1 1 370.814 2.254 20 0 FEADMM C[C@H](O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000468578459 560933305 /nfs/dbraw/zinc/93/33/05/560933305.db2.gz YKOZFLPKMWXBGQ-JTQLQIEISA-N -1 1 354.815 2.460 20 0 FEADMM N=c1nc(N2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)s[n-]1 ZINC000468753926 560937895 /nfs/dbraw/zinc/93/78/95/560937895.db2.gz ACSNWDUJBZSDKJ-UHFFFAOYSA-N -1 1 373.404 2.340 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cn1C ZINC000468821112 560939636 /nfs/dbraw/zinc/93/96/36/560939636.db2.gz DJZBLCBQQVJORG-UHFFFAOYSA-N -1 1 364.423 2.326 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cc(C)cc(C)c1 ZINC000469013538 560944771 /nfs/dbraw/zinc/94/47/71/560944771.db2.gz RXVZAHHPTZQNFJ-HOTGVXAUSA-N -1 1 355.456 2.006 20 0 FEADMM C[C@@H](CCC1CC1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000469386329 560953799 /nfs/dbraw/zinc/95/37/99/560953799.db2.gz OECZJPJQARZKKF-JTQLQIEISA-N -1 1 364.464 2.054 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c1 ZINC000470458866 560982883 /nfs/dbraw/zinc/98/28/83/560982883.db2.gz OTCFNKIQSZKKNU-CYBMUJFWSA-N -1 1 363.391 2.353 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc2cc(C)ccc2n1C ZINC000470628697 560986356 /nfs/dbraw/zinc/98/63/56/560986356.db2.gz SKHDQEVTJDMYHQ-UHFFFAOYSA-N -1 1 357.439 2.338 20 0 FEADMM Cc1cccnc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000470667530 560987148 /nfs/dbraw/zinc/98/71/48/560987148.db2.gz LHCKPAQUDIDXST-UHFFFAOYSA-N -1 1 351.428 2.336 20 0 FEADMM CCc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1-c1cccc(Cl)c1 ZINC000470982344 560995966 /nfs/dbraw/zinc/99/59/66/560995966.db2.gz KEPYPCUNRJUZDB-UHFFFAOYSA-N -1 1 357.805 2.020 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)[nH]n1 ZINC000471517532 561006323 /nfs/dbraw/zinc/00/63/23/561006323.db2.gz CXVCPEBLJDRCIM-UHFFFAOYSA-N -1 1 353.400 2.045 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000474336950 561071612 /nfs/dbraw/zinc/07/16/12/561071612.db2.gz MMHFGJSNNFJKQT-HOTGVXAUSA-N -1 1 353.422 2.045 20 0 FEADMM COc1ccc(CCNC(=O)c2c(C)[n-]c(=O)nc2SC)c(OC)c1 ZINC000474570924 561076993 /nfs/dbraw/zinc/07/69/93/561076993.db2.gz VEJSVNOTGQDGAC-UHFFFAOYSA-N -1 1 363.439 2.202 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)C2CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000474590764 561077674 /nfs/dbraw/zinc/07/76/74/561077674.db2.gz ZQNQYWVTKMFPAH-LLVKDONJSA-N -1 1 371.459 2.003 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000474703146 561080832 /nfs/dbraw/zinc/08/08/32/561080832.db2.gz LZPPMBPCJHAWPF-UHFFFAOYSA-N -1 1 369.450 2.387 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000474818650 561083684 /nfs/dbraw/zinc/08/36/84/561083684.db2.gz UICSFLPAANXNKA-NWDGAFQWSA-N -1 1 366.487 2.026 20 0 FEADMM CC(C)COC[C@H]([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccco1 ZINC000475585763 561100395 /nfs/dbraw/zinc/10/03/95/561100395.db2.gz BIXMOKFKXYBIBN-ZDUSSCGKSA-N -1 1 353.444 2.115 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)cc1C(=O)[O-] ZINC000475838426 561106742 /nfs/dbraw/zinc/10/67/42/561106742.db2.gz VNBJYDQCOXBROM-UHFFFAOYSA-N -1 1 365.411 2.183 20 0 FEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1 ZINC000476395910 561118431 /nfs/dbraw/zinc/11/84/31/561118431.db2.gz HXNBTYSEPYBBKQ-UHFFFAOYSA-N -1 1 374.418 2.134 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnc(N(C)C)n3)c2)cc1 ZINC000476425717 561119214 /nfs/dbraw/zinc/11/92/14/561119214.db2.gz CWZNMEKGTRVRLK-UHFFFAOYSA-N -1 1 357.439 2.443 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)[C@@H]1CCCOC1 ZINC000476503112 561120924 /nfs/dbraw/zinc/12/09/24/561120924.db2.gz GISDHINDOGZNHS-HUUCEWRRSA-N -1 1 361.504 2.235 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccccc1OCCOc1ccccc1 ZINC000477051470 561135380 /nfs/dbraw/zinc/13/53/80/561135380.db2.gz RPIQXMQPTPXULV-UHFFFAOYSA-N -1 1 365.393 2.077 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCN2CC=C(C(C)(C)C)CC2)o1 ZINC000477113630 561137056 /nfs/dbraw/zinc/13/70/56/561137056.db2.gz ALIGQZBRCZHQST-UHFFFAOYSA-N -1 1 370.471 2.023 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000528485926 562331817 /nfs/dbraw/zinc/33/18/17/562331817.db2.gz KHRDWFVFQAAWNS-GHMZBOCLSA-N -1 1 374.673 2.465 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000529021873 562356956 /nfs/dbraw/zinc/35/69/56/562356956.db2.gz PPAPNTBSMWLAKH-SWLSCSKDSA-N -1 1 362.865 2.080 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cnn(C2CC2)c1 ZINC000529046953 562357818 /nfs/dbraw/zinc/35/78/18/562357818.db2.gz YHIKSMTVYUMDRL-ZDUSSCGKSA-N -1 1 361.768 2.043 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC[C@@H]1CCCOC1 ZINC000529600128 562378472 /nfs/dbraw/zinc/37/84/72/562378472.db2.gz JIVJBLPKYOWXGF-AWEZNQCLSA-N -1 1 356.426 2.028 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc4c3CCO4)cc3c2N1CC3 ZINC000530139890 562399448 /nfs/dbraw/zinc/39/94/48/562399448.db2.gz TYPNXCKTHGEDRX-UHFFFAOYSA-N -1 1 370.430 2.258 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)sc1C ZINC000531303395 562441426 /nfs/dbraw/zinc/44/14/26/562441426.db2.gz VRSIZCBMKRJFKP-UHFFFAOYSA-N -1 1 362.480 2.467 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C1CCOCC1 ZINC000531643691 562452499 /nfs/dbraw/zinc/45/24/99/562452499.db2.gz FHJDJIXBWAZZFD-ZDUSSCGKSA-N -1 1 370.453 2.417 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)s[n-]1 ZINC000532074825 562466105 /nfs/dbraw/zinc/46/61/05/562466105.db2.gz HDSFDAQHLBZKAK-UHFFFAOYSA-N -1 1 372.479 2.206 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc4ccncc43)cc2N1 ZINC000532290760 562473009 /nfs/dbraw/zinc/47/30/09/562473009.db2.gz FSSZWBNBSFIBAT-UHFFFAOYSA-N -1 1 355.375 2.367 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2Br)o1 ZINC000532931754 562492890 /nfs/dbraw/zinc/49/28/90/562492890.db2.gz CAVWRMIBSPMSNC-QMMMGPOBSA-N -1 1 360.233 2.488 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)co1 ZINC000533693850 562516237 /nfs/dbraw/zinc/51/62/37/562516237.db2.gz NGLQIFOCBLAMNM-GFCCVEGCSA-N -1 1 368.377 2.429 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)C(=O)Cc2ccccc2)c(=O)[n-]1 ZINC000533876376 562520448 /nfs/dbraw/zinc/52/04/48/562520448.db2.gz PLQXCIILXYSTFH-CYBMUJFWSA-N -1 1 373.478 2.462 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)co1 ZINC000534418439 562533806 /nfs/dbraw/zinc/53/38/06/562533806.db2.gz MSUFJGZDBOWQJN-HNNXBMFYSA-N -1 1 362.451 2.283 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C ZINC000534615967 562538359 /nfs/dbraw/zinc/53/83/59/562538359.db2.gz YFXVHRYKAFYBSA-UHFFFAOYSA-N -1 1 360.391 2.329 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)s1 ZINC000534822549 562543140 /nfs/dbraw/zinc/54/31/40/562543140.db2.gz CVCJLWRNMIJUHG-MRVPVSSYSA-N -1 1 368.440 2.204 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCSc3ccccc32)co1 ZINC000535154220 562552206 /nfs/dbraw/zinc/55/22/06/562552206.db2.gz ZLKOULLLPMKYCP-UHFFFAOYSA-N -1 1 352.437 2.330 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)cc1C ZINC000536460332 562576047 /nfs/dbraw/zinc/57/60/47/562576047.db2.gz VHRHLTJSIFGQFO-UHFFFAOYSA-N -1 1 374.418 2.339 20 0 FEADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000537195930 562587539 /nfs/dbraw/zinc/58/75/39/562587539.db2.gz GQVLIEYVPZUYKB-UHFFFAOYSA-N -1 1 362.432 2.401 20 0 FEADMM Cc1nc(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)[n-]c(=O)c1C ZINC000540715446 562591771 /nfs/dbraw/zinc/59/17/71/562591771.db2.gz NJOABAOTCIQIJL-UHFFFAOYSA-N -1 1 360.439 2.232 20 0 FEADMM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540804032 562593444 /nfs/dbraw/zinc/59/34/44/562593444.db2.gz RKDPOPIQDRGNPT-NSHDSACASA-N -1 1 364.423 2.469 20 0 FEADMM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000541842305 562621338 /nfs/dbraw/zinc/62/13/38/562621338.db2.gz PVKBJNDYISNPPB-INIZCTEOSA-N -1 1 355.373 2.218 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000545829845 562630953 /nfs/dbraw/zinc/63/09/53/562630953.db2.gz OYFVFTUUMAXUQV-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000545922491 562631161 /nfs/dbraw/zinc/63/11/61/562631161.db2.gz PPNDLPXCIURINO-NXEZZACHSA-N -1 1 369.867 2.113 20 0 FEADMM O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000549733140 562638791 /nfs/dbraw/zinc/63/87/91/562638791.db2.gz YNMBMTVZVOPYDN-LLVKDONJSA-N -1 1 357.345 2.120 20 0 FEADMM COc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c21 ZINC000549732666 562638823 /nfs/dbraw/zinc/63/88/23/562638823.db2.gz POFLOLVFSACYRZ-LLVKDONJSA-N -1 1 356.382 2.214 20 0 FEADMM O=C(c1cnn(Cc2ccccc2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550100005 562642519 /nfs/dbraw/zinc/64/25/19/562642519.db2.gz VWLMINOYWAKWME-UHFFFAOYSA-N -1 1 353.382 2.040 20 0 FEADMM C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1nc2ccc(Cl)cc2[nH]1 ZINC000806839522 674392363 /nfs/dbraw/zinc/39/23/63/674392363.db2.gz HUTMSWHIHUOUQJ-ZCFIWIBFSA-N -1 1 352.807 2.010 20 0 FEADMM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000601749349 567834875 /nfs/dbraw/zinc/83/48/75/567834875.db2.gz LXJUUYWRTXKTES-BONVTDFDSA-N -1 1 361.316 2.204 20 0 FEADMM CCOC(=O)[C@]1(C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000601901910 567870309 /nfs/dbraw/zinc/87/03/09/567870309.db2.gz QRCBOIJDKVPPIE-HNNXBMFYSA-N -1 1 361.316 2.205 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000603013448 568047706 /nfs/dbraw/zinc/04/77/06/568047706.db2.gz AYUZNQJVYZANOV-UHFFFAOYSA-N -1 1 370.331 2.249 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2cccc(C(F)(F)F)c2)n1 ZINC000603013448 568047708 /nfs/dbraw/zinc/04/77/08/568047708.db2.gz AYUZNQJVYZANOV-UHFFFAOYSA-N -1 1 370.331 2.249 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2c(F)cccc2SC)n[n-]1 ZINC000603152641 568065147 /nfs/dbraw/zinc/06/51/47/568065147.db2.gz CVROGFWMCIRREW-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2c(F)cccc2SC)[n-]1 ZINC000603152641 568065148 /nfs/dbraw/zinc/06/51/48/568065148.db2.gz CVROGFWMCIRREW-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2c(F)cccc2SC)n1 ZINC000603152641 568065149 /nfs/dbraw/zinc/06/51/49/568065149.db2.gz CVROGFWMCIRREW-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(C)cc2Cl)n[n-]1 ZINC000603157985 568068943 /nfs/dbraw/zinc/06/89/43/568068943.db2.gz XTOYTOBWDCCYFO-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(C)cc2Cl)[n-]1 ZINC000603157985 568068944 /nfs/dbraw/zinc/06/89/44/568068944.db2.gz XTOYTOBWDCCYFO-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(C)cc2Cl)n1 ZINC000603157985 568068945 /nfs/dbraw/zinc/06/89/45/568068945.db2.gz XTOYTOBWDCCYFO-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n[n-]1 ZINC000603161805 568069521 /nfs/dbraw/zinc/06/95/21/568069521.db2.gz GSPCHVOOLKNCSY-AXTRIDKLSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)[n-]1 ZINC000603161805 568069522 /nfs/dbraw/zinc/06/95/22/568069522.db2.gz GSPCHVOOLKNCSY-AXTRIDKLSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1 ZINC000603161805 568069523 /nfs/dbraw/zinc/06/95/23/568069523.db2.gz GSPCHVOOLKNCSY-AXTRIDKLSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)n[n-]1 ZINC000603166788 568070306 /nfs/dbraw/zinc/07/03/06/568070306.db2.gz RWMPCSDWYCIVTK-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)[n-]1 ZINC000603166788 568070307 /nfs/dbraw/zinc/07/03/07/568070307.db2.gz RWMPCSDWYCIVTK-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000603166788 568070308 /nfs/dbraw/zinc/07/03/08/568070308.db2.gz RWMPCSDWYCIVTK-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccccc2C(F)(F)F)n[n-]1 ZINC000603167088 568070419 /nfs/dbraw/zinc/07/04/19/568070419.db2.gz UFFLFSDZOANAJI-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccccc2C(F)(F)F)[n-]1 ZINC000603167088 568070420 /nfs/dbraw/zinc/07/04/20/568070420.db2.gz UFFLFSDZOANAJI-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000603167088 568070421 /nfs/dbraw/zinc/07/04/21/568070421.db2.gz UFFLFSDZOANAJI-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)Cc2ccccc2C1 ZINC000603279723 568082231 /nfs/dbraw/zinc/08/22/31/568082231.db2.gz UBLUODAXTZQKJG-OAHLLOKOSA-N -1 1 373.421 2.052 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ncccc1[O-] ZINC000603740357 568153819 /nfs/dbraw/zinc/15/38/19/568153819.db2.gz HBPZYTVUFZBKJH-GFCCVEGCSA-N -1 1 365.311 2.341 20 0 FEADMM C[C@@H](CN1CCN(c2ccccn2)CC1)N=c1[n-]c(-c2ccccc2)no1 ZINC000605148779 568586376 /nfs/dbraw/zinc/58/63/76/568586376.db2.gz ACNPSHJVVJDKSN-INIZCTEOSA-N -1 1 364.453 2.176 20 0 FEADMM CCOC(=O)CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736593758 598846344 /nfs/dbraw/zinc/84/63/44/598846344.db2.gz JOVQHXGXYIPFNF-UHFFFAOYSA-N -1 1 371.422 2.165 20 0 FEADMM COC(=O)[C@@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000736901565 598891878 /nfs/dbraw/zinc/89/18/78/598891878.db2.gz LVXBABOCHSXQJN-ZDUSSCGKSA-N -1 1 356.411 2.280 20 0 FEADMM CCc1cnccc1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736702852 598912616 /nfs/dbraw/zinc/91/26/16/598912616.db2.gz XGLPLIPKHBLOQZ-UHFFFAOYSA-N -1 1 363.381 2.190 20 0 FEADMM CCc1cnccc1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736702852 598912618 /nfs/dbraw/zinc/91/26/18/598912618.db2.gz XGLPLIPKHBLOQZ-UHFFFAOYSA-N -1 1 363.381 2.190 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc2n[nH]cc2cc1C ZINC000737284456 598931427 /nfs/dbraw/zinc/93/14/27/598931427.db2.gz LEZNSLGKBZTARC-UHFFFAOYSA-N -1 1 369.410 2.161 20 0 FEADMM Cc1cccc2nc(CNc3c4ccccc4nnc3-c3nnn[n-]3)cn21 ZINC000737417206 598967570 /nfs/dbraw/zinc/96/75/70/598967570.db2.gz HNSHVZUHUAAQMQ-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM Cc1cccc2nc(CNc3c4ccccc4nnc3-c3nn[n-]n3)cn21 ZINC000737417206 598967572 /nfs/dbraw/zinc/96/75/72/598967572.db2.gz HNSHVZUHUAAQMQ-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736819461 598981738 /nfs/dbraw/zinc/98/17/38/598981738.db2.gz MCYLJXKNMZNBOZ-UHFFFAOYSA-N -1 1 360.324 2.135 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736819461 598981739 /nfs/dbraw/zinc/98/17/39/598981739.db2.gz MCYLJXKNMZNBOZ-UHFFFAOYSA-N -1 1 360.324 2.135 20 0 FEADMM O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089496 598982720 /nfs/dbraw/zinc/98/27/20/598982720.db2.gz XLZCWBCHEQDRQQ-UHFFFAOYSA-N -1 1 362.315 2.253 20 0 FEADMM O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089496 598982722 /nfs/dbraw/zinc/98/27/22/598982722.db2.gz XLZCWBCHEQDRQQ-UHFFFAOYSA-N -1 1 362.315 2.253 20 0 FEADMM O=C(Oc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738250203 598982917 /nfs/dbraw/zinc/98/29/17/598982917.db2.gz FEZMDCLNLGOBET-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Oc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738250203 598982919 /nfs/dbraw/zinc/98/29/19/598982919.db2.gz FEZMDCLNLGOBET-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM CCCCOC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736459546 598983127 /nfs/dbraw/zinc/98/31/27/598983127.db2.gz DTEXPDHXPNJBGH-UHFFFAOYSA-N -1 1 367.365 2.438 20 0 FEADMM CCCCOC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736459546 598983129 /nfs/dbraw/zinc/98/31/29/598983129.db2.gz DTEXPDHXPNJBGH-UHFFFAOYSA-N -1 1 367.365 2.438 20 0 FEADMM O=C(NCCOc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085063 598985316 /nfs/dbraw/zinc/98/53/16/598985316.db2.gz DPWMXRRUNQKWFF-UHFFFAOYSA-N -1 1 360.377 2.224 20 0 FEADMM O=C(NCCOc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085063 598985317 /nfs/dbraw/zinc/98/53/17/598985317.db2.gz DPWMXRRUNQKWFF-UHFFFAOYSA-N -1 1 360.377 2.224 20 0 FEADMM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738187260 598992150 /nfs/dbraw/zinc/99/21/50/598992150.db2.gz ROBMNPCTMDXKSV-UHFFFAOYSA-N -1 1 364.287 2.455 20 0 FEADMM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738187260 598992151 /nfs/dbraw/zinc/99/21/51/598992151.db2.gz ROBMNPCTMDXKSV-UHFFFAOYSA-N -1 1 364.287 2.455 20 0 FEADMM CC[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2C1 ZINC000736412573 598993963 /nfs/dbraw/zinc/99/39/63/598993963.db2.gz VXSSDSUYDGKKHL-SECBINFHSA-N -1 1 355.427 2.485 20 0 FEADMM CC[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2C1 ZINC000736412573 598993965 /nfs/dbraw/zinc/99/39/65/598993965.db2.gz VXSSDSUYDGKKHL-SECBINFHSA-N -1 1 355.427 2.485 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000738259192 598996517 /nfs/dbraw/zinc/99/65/17/598996517.db2.gz NBQKICLORLWLNX-INIZCTEOSA-N -1 1 364.409 2.083 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000738259192 598996518 /nfs/dbraw/zinc/99/65/18/598996518.db2.gz NBQKICLORLWLNX-INIZCTEOSA-N -1 1 364.409 2.083 20 0 FEADMM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737278502 598999188 /nfs/dbraw/zinc/99/91/88/598999188.db2.gz AGPOKXFNNHDSGV-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737278502 598999190 /nfs/dbraw/zinc/99/91/90/598999190.db2.gz AGPOKXFNNHDSGV-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM CN(C)c1ccc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2n1 ZINC000736778873 598999312 /nfs/dbraw/zinc/99/93/12/598999312.db2.gz HJBLBEPPUFFEAX-UHFFFAOYSA-N -1 1 360.381 2.128 20 0 FEADMM CN(C)c1ccc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2n1 ZINC000736778873 598999314 /nfs/dbraw/zinc/99/93/14/598999314.db2.gz HJBLBEPPUFFEAX-UHFFFAOYSA-N -1 1 360.381 2.128 20 0 FEADMM O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738003286 599003577 /nfs/dbraw/zinc/00/35/77/599003577.db2.gz VLCQIMGBQGANKY-AWEZNQCLSA-N -1 1 363.406 2.238 20 0 FEADMM O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738003286 599003578 /nfs/dbraw/zinc/00/35/78/599003578.db2.gz VLCQIMGBQGANKY-AWEZNQCLSA-N -1 1 363.406 2.238 20 0 FEADMM CC(C)(C)c1cccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735652407 599005537 /nfs/dbraw/zinc/00/55/37/599005537.db2.gz JYAKSBHUTRIHJR-UHFFFAOYSA-N -1 1 366.425 2.368 20 0 FEADMM CC(C)(C)c1cccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735652407 599005539 /nfs/dbraw/zinc/00/55/39/599005539.db2.gz JYAKSBHUTRIHJR-UHFFFAOYSA-N -1 1 366.425 2.368 20 0 FEADMM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737309712 599143462 /nfs/dbraw/zinc/14/34/62/599143462.db2.gz VSWFAJJVCQTANF-LBPRGKRZSA-N -1 1 351.366 2.307 20 0 FEADMM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737309712 599143466 /nfs/dbraw/zinc/14/34/66/599143466.db2.gz VSWFAJJVCQTANF-LBPRGKRZSA-N -1 1 351.366 2.307 20 0 FEADMM O=C([O-])Cc1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000738623155 597186663 /nfs/dbraw/zinc/18/66/63/597186663.db2.gz BWILRAKBZCGWPZ-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(C(C)C)CC1 ZINC000737199130 599247780 /nfs/dbraw/zinc/24/77/80/599247780.db2.gz FRROUXDIJJYHNU-UHFFFAOYSA-N -1 1 372.473 2.411 20 0 FEADMM c1cn(CCOc2ccccc2NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000823792084 607314532 /nfs/dbraw/zinc/31/45/32/607314532.db2.gz POLXPTFHWOOPSL-UHFFFAOYSA-N -1 1 351.370 2.347 20 0 FEADMM c1cn(CCOc2ccccc2NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000823792084 607314533 /nfs/dbraw/zinc/31/45/33/607314533.db2.gz POLXPTFHWOOPSL-UHFFFAOYSA-N -1 1 351.370 2.347 20 0 FEADMM Cc1nc(CC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cs1 ZINC000807708506 674424939 /nfs/dbraw/zinc/42/49/39/674424939.db2.gz XUISHEFVQWIJJY-RVBZMBCESA-N -1 1 363.405 2.298 20 0 FEADMM CCC[C@@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])c2)CCN1CCOC ZINC000820311080 598083806 /nfs/dbraw/zinc/08/38/06/598083806.db2.gz NEYNTKIWCLJHOA-QGZVFWFLSA-N -1 1 363.458 2.278 20 0 FEADMM COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C(=O)[O-])c3)n2)cc1OC ZINC000820805437 598144436 /nfs/dbraw/zinc/14/44/36/598144436.db2.gz YIZBDXQAAWGWPR-UHFFFAOYSA-N -1 1 368.349 2.439 20 0 FEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237028 598265104 /nfs/dbraw/zinc/26/51/04/598265104.db2.gz NRFQNPVLSDJDDP-ZLDLUXBVSA-N -1 1 364.475 2.001 20 0 FEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237028 598265106 /nfs/dbraw/zinc/26/51/06/598265106.db2.gz NRFQNPVLSDJDDP-ZLDLUXBVSA-N -1 1 364.475 2.001 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736296899 598345847 /nfs/dbraw/zinc/34/58/47/598345847.db2.gz KMFFEPFCCJGYOY-CYBMUJFWSA-N -1 1 362.441 2.077 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736296899 598345849 /nfs/dbraw/zinc/34/58/49/598345849.db2.gz KMFFEPFCCJGYOY-CYBMUJFWSA-N -1 1 362.441 2.077 20 0 FEADMM Clc1cc(CNc2nccnc2-c2nn[n-]n2)cc2c1OCCCO2 ZINC000737567144 598348313 /nfs/dbraw/zinc/34/83/13/598348313.db2.gz XZDUVANAVPDLDA-UHFFFAOYSA-N -1 1 359.777 2.084 20 0 FEADMM Clc1cc(CNc2nccnc2-c2nnn[n-]2)cc2c1OCCCO2 ZINC000737567144 598348311 /nfs/dbraw/zinc/34/83/11/598348311.db2.gz XZDUVANAVPDLDA-UHFFFAOYSA-N -1 1 359.777 2.084 20 0 FEADMM CCc1nn(CCCC(=O)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706107 598642174 /nfs/dbraw/zinc/64/21/74/598642174.db2.gz TWTJBFUQJYTWDV-UHFFFAOYSA-N -1 1 366.425 2.211 20 0 FEADMM O=S(=O)(Oc1ccc(F)c(F)c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738338634 598687593 /nfs/dbraw/zinc/68/75/93/598687593.db2.gz GWHRWPXPTFJDIW-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM COC(=O)c1cccc(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC000808078601 674440252 /nfs/dbraw/zinc/44/02/52/674440252.db2.gz CXIQRYQRSDQUCP-KWBADKCTSA-N -1 1 359.348 2.150 20 0 FEADMM FC(F)(F)c1nsc(=NCC2(N3CCOCC3)CCCCC2)[n-]1 ZINC000557479159 674450352 /nfs/dbraw/zinc/45/03/52/674450352.db2.gz UUBAXXTXIPRSFA-UHFFFAOYSA-N -1 1 350.410 2.426 20 0 FEADMM Cc1cccc(OC[C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737401624 598746727 /nfs/dbraw/zinc/74/67/27/598746727.db2.gz NQNDZWICPHYKJJ-LLVKDONJSA-N -1 1 360.805 2.075 20 0 FEADMM Cc1cccc(OC[C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737401624 598746729 /nfs/dbraw/zinc/74/67/29/598746729.db2.gz NQNDZWICPHYKJJ-LLVKDONJSA-N -1 1 360.805 2.075 20 0 FEADMM O=C1OCc2ccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc21 ZINC000808123754 674442570 /nfs/dbraw/zinc/44/25/70/674442570.db2.gz FRZHYOBDBIHKDW-UHFFFAOYSA-N -1 1 351.355 2.317 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1C ZINC000808124242 674442811 /nfs/dbraw/zinc/44/28/11/674442811.db2.gz NWYRNDOKUAGBJA-UHFFFAOYSA-N -1 1 361.375 2.253 20 0 FEADMM Cc1nc(-c2ccc(NCCS(=O)(=O)C(C)C)nc2)[n-]c(=O)c1C ZINC000808149486 674444194 /nfs/dbraw/zinc/44/41/94/674444194.db2.gz OKYAZPOWIOGCOO-UHFFFAOYSA-N -1 1 350.444 2.096 20 0 FEADMM O=C(NCc1ccccc1OC1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738125016 599302483 /nfs/dbraw/zinc/30/24/83/599302483.db2.gz ZRQAKCVGFXAWOC-UHFFFAOYSA-N -1 1 350.382 2.123 20 0 FEADMM O=C(NCc1ccccc1OC1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738125016 599302485 /nfs/dbraw/zinc/30/24/85/599302485.db2.gz ZRQAKCVGFXAWOC-UHFFFAOYSA-N -1 1 350.382 2.123 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC2(C1)CCCCC2 ZINC000823600902 599359414 /nfs/dbraw/zinc/35/94/14/599359414.db2.gz LYXCCAGYHBBWRY-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM COc1cc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc(OC)c1OC ZINC000737041066 599410007 /nfs/dbraw/zinc/41/00/07/599410007.db2.gz KKBQNAGSNLHJCN-JTQLQIEISA-N -1 1 356.386 2.461 20 0 FEADMM COc1cc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc(OC)c1OC ZINC000737041066 599410008 /nfs/dbraw/zinc/41/00/08/599410008.db2.gz KKBQNAGSNLHJCN-JTQLQIEISA-N -1 1 356.386 2.461 20 0 FEADMM CN(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000821602874 599519004 /nfs/dbraw/zinc/51/90/04/599519004.db2.gz YZEQZFORFJECAC-UHFFFAOYSA-N -1 1 353.814 2.194 20 0 FEADMM CN(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000821602874 599519006 /nfs/dbraw/zinc/51/90/06/599519006.db2.gz YZEQZFORFJECAC-UHFFFAOYSA-N -1 1 353.814 2.194 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000737188718 599573383 /nfs/dbraw/zinc/57/33/83/599573383.db2.gz DSQYITGALQDLSB-GXFFZTMASA-N -1 1 356.455 2.486 20 0 FEADMM O=C1C[C@H](c2cccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)c2)CN1 ZINC000823521438 607386041 /nfs/dbraw/zinc/38/60/41/607386041.db2.gz WUMOFIQWHXCCAC-JTQLQIEISA-N -1 1 355.789 2.262 20 0 FEADMM O=C1C[C@H](c2cccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)c2)CN1 ZINC000823521438 607386043 /nfs/dbraw/zinc/38/60/43/607386043.db2.gz WUMOFIQWHXCCAC-JTQLQIEISA-N -1 1 355.789 2.262 20 0 FEADMM CC(C)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820067813 599682808 /nfs/dbraw/zinc/68/28/08/599682808.db2.gz LPMQDHIDNZOURQ-LLVKDONJSA-N -1 1 353.423 2.063 20 0 FEADMM CC(C)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820067813 599682809 /nfs/dbraw/zinc/68/28/09/599682809.db2.gz LPMQDHIDNZOURQ-LLVKDONJSA-N -1 1 353.423 2.063 20 0 FEADMM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820973628 599683757 /nfs/dbraw/zinc/68/37/57/599683757.db2.gz YQLAVQVJURIXPP-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820973628 599683758 /nfs/dbraw/zinc/68/37/58/599683758.db2.gz YQLAVQVJURIXPP-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820972364 599683766 /nfs/dbraw/zinc/68/37/66/599683766.db2.gz NTPAATRTNFGKII-ONGXEEELSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000184917804 599726537 /nfs/dbraw/zinc/72/65/37/599726537.db2.gz BYBSHVONPQKZMN-LLVKDONJSA-N -1 1 360.863 2.048 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C2OCCO2)C1 ZINC000738521806 599810892 /nfs/dbraw/zinc/81/08/92/599810892.db2.gz ZVFUUNNLALAGBM-DZGCQCFKSA-N -1 1 362.426 2.105 20 0 FEADMM CC(C)OCCCNC(=O)C1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000736484665 599887900 /nfs/dbraw/zinc/88/79/00/599887900.db2.gz IPPVEDWDGXTVKX-UHFFFAOYSA-N -1 1 352.431 2.121 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)c(C(=O)[O-])s1 ZINC000737680261 599925982 /nfs/dbraw/zinc/92/59/82/599925982.db2.gz GRVPMFGDJBHXBQ-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM CN(Cc1cc(C(=O)[O-])co1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000737454404 599963056 /nfs/dbraw/zinc/96/30/56/599963056.db2.gz PCEHBKCSRISRQW-AWEZNQCLSA-N -1 1 360.414 2.335 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCCC[C@H]2[C@H](O)c2ccccc2)CCCCC1 ZINC000739285672 599994217 /nfs/dbraw/zinc/99/42/17/599994217.db2.gz KDDTVVLWUCJAPR-PKOBYXMFSA-N -1 1 374.481 2.478 20 0 FEADMM Cc1nnc(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)[nH]1 ZINC000738865739 600024540 /nfs/dbraw/zinc/02/45/40/600024540.db2.gz BNVAUBYJOBJPNA-UHFFFAOYSA-N -1 1 368.397 2.185 20 0 FEADMM Cc1n[nH]c(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)n1 ZINC000738865739 600024543 /nfs/dbraw/zinc/02/45/43/600024543.db2.gz BNVAUBYJOBJPNA-UHFFFAOYSA-N -1 1 368.397 2.185 20 0 FEADMM Cc1cccc(C[C@H](CNC(=O)Cc2[nH]nc3ccccc32)C(=O)[O-])c1 ZINC000237689927 600060590 /nfs/dbraw/zinc/06/05/90/600060590.db2.gz PYRBFDQNVIDBNC-OAHLLOKOSA-N -1 1 351.406 2.474 20 0 FEADMM O=C([O-])[C@@H](NCc1cc(=O)c(O)co1)c1ccc(Br)cc1 ZINC000739501261 600209219 /nfs/dbraw/zinc/20/92/19/600209219.db2.gz VCOSFUOMTOUAIY-ZDUSSCGKSA-N -1 1 354.156 2.023 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1cccc(F)n1 ZINC000826340918 607432577 /nfs/dbraw/zinc/43/25/77/607432577.db2.gz OZTYMZZMRCILFW-UHFFFAOYSA-N -1 1 367.344 2.023 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cccc(F)n1 ZINC000826340918 607432579 /nfs/dbraw/zinc/43/25/79/607432579.db2.gz OZTYMZZMRCILFW-UHFFFAOYSA-N -1 1 367.344 2.023 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736411195 600262733 /nfs/dbraw/zinc/26/27/33/600262733.db2.gz GCLMMTDXQKFIKC-WBVHZDCISA-N -1 1 350.434 2.306 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738120135 600298685 /nfs/dbraw/zinc/29/86/85/600298685.db2.gz LOEDHNPNCGJYCS-OFQRWUPVSA-N -1 1 360.454 2.448 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCCOc1ccc(Cl)cc1)CC2 ZINC000739279141 600308599 /nfs/dbraw/zinc/30/85/99/600308599.db2.gz VATSKRFZPJBZFT-OAHLLOKOSA-N -1 1 366.845 2.022 20 0 FEADMM C[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000738217274 600337697 /nfs/dbraw/zinc/33/76/97/600337697.db2.gz SNXSWEXEQAGZAD-QGZVFWFLSA-N -1 1 373.497 2.096 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737359145 600344746 /nfs/dbraw/zinc/34/47/46/600344746.db2.gz SQUPYVNYSCLYHH-UONOGXRCSA-N -1 1 351.472 2.247 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390606517 600345756 /nfs/dbraw/zinc/34/57/56/600345756.db2.gz CVCQUYZFBPVOAT-CQSZACIVSA-N -1 1 362.451 2.184 20 0 FEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](C)CN3CCOCC3)c12 ZINC000572648828 600365267 /nfs/dbraw/zinc/36/52/67/600365267.db2.gz RPSKLUCNIWRQFC-SNVBAGLBSA-N -1 1 364.471 2.387 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[C@H](c2ccco2)C1 ZINC000739622293 600375910 /nfs/dbraw/zinc/37/59/10/600375910.db2.gz HRVUIJANOIBDRT-IRXDYDNUSA-N -1 1 354.406 2.107 20 0 FEADMM CN1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000737521624 600377113 /nfs/dbraw/zinc/37/71/13/600377113.db2.gz PASUNALREFNCBS-OLZOCXBDSA-N -1 1 355.232 2.175 20 0 FEADMM COc1cccc(CC(=O)N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738096027 600401737 /nfs/dbraw/zinc/40/17/37/600401737.db2.gz LSUOFHOHCVWAKJ-HXUWFJFHSA-N -1 1 368.433 2.208 20 0 FEADMM O=C([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000576588787 600435242 /nfs/dbraw/zinc/43/52/42/600435242.db2.gz VMBNCPXUYWLJML-CYBMUJFWSA-N -1 1 366.343 2.880 20 0 FEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCN3CCSCC3)c12 ZINC000566294709 600497797 /nfs/dbraw/zinc/49/77/97/600497797.db2.gz JGROQMYJSWBRBQ-UHFFFAOYSA-N -1 1 352.485 2.467 20 0 FEADMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1C ZINC000391735374 600514423 /nfs/dbraw/zinc/51/44/23/600514423.db2.gz QYINXDNZCIFKHE-UHFFFAOYSA-N -1 1 351.340 2.106 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000740145653 600515657 /nfs/dbraw/zinc/51/56/57/600515657.db2.gz DCAOOWVYOANJHZ-HUUCEWRRSA-N -1 1 367.833 2.101 20 0 FEADMM C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661861 600521419 /nfs/dbraw/zinc/52/14/19/600521419.db2.gz IVKGWPNIACPBAO-QWHCGFSZSA-N -1 1 370.405 2.469 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000568634311 600570911 /nfs/dbraw/zinc/57/09/11/600570911.db2.gz PMTKOBYWZZLPFC-GXSJLCMTSA-N -1 1 356.444 2.213 20 0 FEADMM CCN(C)[C@@H](C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC000737069435 600581397 /nfs/dbraw/zinc/58/13/97/600581397.db2.gz UBDMZMBUEQGPBY-PKOBYXMFSA-N -1 1 370.449 2.445 20 0 FEADMM COCCN(CCC(=O)[O-])C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000737785625 600633298 /nfs/dbraw/zinc/63/32/98/600633298.db2.gz DBBITTRBXBWLET-UHFFFAOYSA-N -1 1 351.790 2.293 20 0 FEADMM CS(=O)(=O)c1cccc([C@H](NCC(=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000738140832 600681103 /nfs/dbraw/zinc/68/11/03/600681103.db2.gz OUDUKMUHLPJGCX-INIZCTEOSA-N -1 1 355.362 2.132 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)cc1C(=O)[O-] ZINC000588832134 600814849 /nfs/dbraw/zinc/81/48/49/600814849.db2.gz DEJSUOBYLUKYDY-UHFFFAOYSA-N -1 1 365.411 2.241 20 0 FEADMM Cc1nsc(N2CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)n1 ZINC000833024065 600847961 /nfs/dbraw/zinc/84/79/61/600847961.db2.gz QMEUETWGHZUXGN-UHFFFAOYSA-N -1 1 350.419 2.396 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1C ZINC000737701150 600887067 /nfs/dbraw/zinc/88/70/67/600887067.db2.gz CXGPWGBUFBMCNH-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000737310045 601051085 /nfs/dbraw/zinc/05/10/85/601051085.db2.gz PRELYUXOIUKHOH-UHFFFAOYSA-N -1 1 359.354 2.297 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221866 601086058 /nfs/dbraw/zinc/08/60/58/601086058.db2.gz DDOOVUSQCPLNEV-STQMWFEESA-N -1 1 354.834 2.115 20 0 FEADMM Cc1ccc(SCCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000630222597 601090556 /nfs/dbraw/zinc/09/05/56/601090556.db2.gz GIHFYRIWPLWMKZ-OAHLLOKOSA-N -1 1 350.484 2.485 20 0 FEADMM Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630225008 601101839 /nfs/dbraw/zinc/10/18/39/601101839.db2.gz RNOCEORHKBOJOH-CQSZACIVSA-N -1 1 371.437 2.200 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000827374907 601104759 /nfs/dbraw/zinc/10/47/59/601104759.db2.gz OAXPSZKALDMMGS-CYBMUJFWSA-N -1 1 359.401 2.442 20 0 FEADMM COC(=O)/C(C)=C\CN1CCN(C/C=C(\C)C(=O)[O-])C2(CCCCC2)C1 ZINC000831053935 601178156 /nfs/dbraw/zinc/17/81/56/601178156.db2.gz XBTAAFGKAGFYFB-SQVFTCCMSA-N -1 1 364.486 2.457 20 0 FEADMM COC1CCN(CCNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000831536769 601208575 /nfs/dbraw/zinc/20/85/75/601208575.db2.gz LSVXPAYEVCPDDR-ZDUSSCGKSA-N -1 1 366.483 2.092 20 0 FEADMM C[C@@H](CS(=O)(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C(=O)[O-] ZINC000828286740 601275435 /nfs/dbraw/zinc/27/54/35/601275435.db2.gz ZKHHFNURPXKKFG-RDJZCZTQSA-N -1 1 368.499 2.100 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CSc1n[nH]c(=S)s1 ZINC000833180695 601277521 /nfs/dbraw/zinc/27/75/21/601277521.db2.gz GRIBXZLDAJTHII-HLTSFMKQSA-N -1 1 359.498 2.163 20 0 FEADMM O=C([O-])c1ccc(CCNC(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000833145296 601313827 /nfs/dbraw/zinc/31/38/27/601313827.db2.gz BVPXNYIPSKWVFD-UHFFFAOYSA-N -1 1 351.366 2.330 20 0 FEADMM CCOc1cccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000830104557 601337740 /nfs/dbraw/zinc/33/77/40/601337740.db2.gz HWNVKJLSALHQRA-ZDUSSCGKSA-N -1 1 351.472 2.263 20 0 FEADMM CCOc1ccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000830084474 601337785 /nfs/dbraw/zinc/33/77/85/601337785.db2.gz GHAZPMGRDCBIJL-ZDUSSCGKSA-N -1 1 351.472 2.263 20 0 FEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000833344892 601384189 /nfs/dbraw/zinc/38/41/89/601384189.db2.gz KNUGRIDSEZGFII-UHFFFAOYSA-N -1 1 352.759 2.110 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000830140697 601385898 /nfs/dbraw/zinc/38/58/98/601385898.db2.gz SOAMQFMNFMGYDZ-WDEREUQCSA-N -1 1 355.412 2.015 20 0 FEADMM CCC(CC)[C@@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)N1CCOCC1 ZINC000828854474 601410540 /nfs/dbraw/zinc/41/05/40/601410540.db2.gz GIWVIYFOORMKHG-MRXNPFEDSA-N -1 1 369.506 2.068 20 0 FEADMM CCC1CCC(NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)(C(=O)[O-])CC1 ZINC000829107085 601494234 /nfs/dbraw/zinc/49/42/34/601494234.db2.gz GALRQWHSZXLHMJ-UHFFFAOYSA-N -1 1 360.414 2.220 20 0 FEADMM O=C([O-])CC1(CS(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000833202514 601505190 /nfs/dbraw/zinc/50/51/90/601505190.db2.gz GWQBKRSTAVDZEE-CYBMUJFWSA-N -1 1 372.512 2.059 20 0 FEADMM Cc1csc2nc(CN3CCc4ccccc4[C@@H]3C(=O)[O-])cc(=O)n12 ZINC000326750221 601544051 /nfs/dbraw/zinc/54/40/51/601544051.db2.gz GIWAYCTVWDNQQH-MRXNPFEDSA-N -1 1 355.419 2.248 20 0 FEADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000826010657 607519742 /nfs/dbraw/zinc/51/97/42/607519742.db2.gz NEMGEKVNCWMRGJ-CQSZACIVSA-N -1 1 369.816 2.157 20 0 FEADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000826010657 607519743 /nfs/dbraw/zinc/51/97/43/607519743.db2.gz NEMGEKVNCWMRGJ-CQSZACIVSA-N -1 1 369.816 2.157 20 0 FEADMM Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2c[n-]c(C(=O)[O-])c2)cc1 ZINC000833009457 601800468 /nfs/dbraw/zinc/80/04/68/601800468.db2.gz VVKTWRRFXNHWPA-LLVKDONJSA-N -1 1 374.422 2.247 20 0 FEADMM CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000828422704 601842501 /nfs/dbraw/zinc/84/25/01/601842501.db2.gz IUOUJFVIKNEWIO-IINYFYTJSA-N -1 1 360.863 2.045 20 0 FEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217066 601844140 /nfs/dbraw/zinc/84/41/40/601844140.db2.gz DBPSWMPNWFMBLN-RDJZCZTQSA-N -1 1 354.491 2.275 20 0 FEADMM C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CCC(=O)[O-])CC1 ZINC000826021081 601844211 /nfs/dbraw/zinc/84/42/11/601844211.db2.gz MJRQYYLSSMCRJN-LLVKDONJSA-N -1 1 360.414 2.172 20 0 FEADMM COc1cccc([C@@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)c1 ZINC000820858528 601848534 /nfs/dbraw/zinc/84/85/34/601848534.db2.gz FMFQYQYHNGWIQV-GOSISDBHSA-N -1 1 371.437 2.496 20 0 FEADMM COC(=O)c1ccc(OCCN2CCSC[C@H]2CC(=O)[O-])c(Cl)c1 ZINC000831440199 601892739 /nfs/dbraw/zinc/89/27/39/601892739.db2.gz UVTRFNKVSTZINP-GFCCVEGCSA-N -1 1 373.858 2.398 20 0 FEADMM CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000829722008 601920750 /nfs/dbraw/zinc/92/07/50/601920750.db2.gz FAMKVISLOIUPRI-HOCLYGCPSA-N -1 1 350.484 2.316 20 0 FEADMM O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000833301152 602027849 /nfs/dbraw/zinc/02/78/49/602027849.db2.gz QCVWWDMISZNCQL-ZDUSSCGKSA-N -1 1 370.409 2.003 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1cccs1 ZINC000739605509 602053118 /nfs/dbraw/zinc/05/31/18/602053118.db2.gz BREZXGKMHIOCTA-QWHCGFSZSA-N -1 1 354.476 2.040 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739604833 602060894 /nfs/dbraw/zinc/06/08/94/602060894.db2.gz ASVYNPXLUWRSBU-XJKSGUPXSA-N -1 1 366.437 2.118 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739608254 602105625 /nfs/dbraw/zinc/10/56/25/602105625.db2.gz NWFXHPRFGIMYKY-HZPDHXFCSA-N -1 1 366.437 2.212 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)c1ccco1 ZINC000739407780 602143271 /nfs/dbraw/zinc/14/32/71/602143271.db2.gz LMBIYXZEMRUUCC-HUUCEWRRSA-N -1 1 366.462 2.446 20 0 FEADMM CCOC(=O)c1sc(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000829895181 602226225 /nfs/dbraw/zinc/22/62/25/602226225.db2.gz IMTZITZGWPRRQJ-CYBMUJFWSA-N -1 1 356.444 2.261 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000820437739 602235427 /nfs/dbraw/zinc/23/54/27/602235427.db2.gz URSATAPKLXNIDI-FZMZJTMJSA-N -1 1 362.455 2.488 20 0 FEADMM COC(=O)c1cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc(C(=O)[O-])c1 ZINC000831295820 602237873 /nfs/dbraw/zinc/23/78/73/602237873.db2.gz ZZTVACGRSOEKRH-CYBMUJFWSA-N -1 1 358.354 2.094 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1F ZINC000831435070 602320920 /nfs/dbraw/zinc/32/09/20/602320920.db2.gz NDURACROKCKXJH-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000826001207 602340108 /nfs/dbraw/zinc/34/01/08/602340108.db2.gz UBRDLEBODIYDON-NSHDSACASA-N -1 1 358.360 2.474 20 0 FEADMM CC(C)CN1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)CC1 ZINC000738820780 602350737 /nfs/dbraw/zinc/35/07/37/602350737.db2.gz MHWKNWFQTYGBRY-UHFFFAOYSA-N -1 1 373.497 2.498 20 0 FEADMM COc1cccc([C@@H](CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)N(C)C)c1 ZINC000832534103 602362063 /nfs/dbraw/zinc/36/20/63/602362063.db2.gz SYOOFGVLBIVNOK-MRXNPFEDSA-N -1 1 360.414 2.156 20 0 FEADMM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)N1CCc2ccccc2C1 ZINC000827487269 602370810 /nfs/dbraw/zinc/37/08/10/602370810.db2.gz ZNFMYZMUEMXMKD-ZDUSSCGKSA-N -1 1 356.426 2.292 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000739026400 602443616 /nfs/dbraw/zinc/44/36/16/602443616.db2.gz LHRZIFWSOQNALO-AAEUAGOBSA-N -1 1 365.396 2.155 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000739021824 602445770 /nfs/dbraw/zinc/44/57/70/602445770.db2.gz DBPWAOMKNCJVES-GFCCVEGCSA-N -1 1 353.850 2.324 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000739100412 602448899 /nfs/dbraw/zinc/44/88/99/602448899.db2.gz PSDOECKIMRMWKW-INMHGKMJSA-N -1 1 369.506 2.066 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000739014881 602450741 /nfs/dbraw/zinc/45/07/41/602450741.db2.gz HHBLAJVLNQVIKB-OLZOCXBDSA-N -1 1 351.422 2.199 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CCCN2C[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739921735 602452082 /nfs/dbraw/zinc/45/20/82/602452082.db2.gz SKILVZZORNPGDH-PBHICJAKSA-N -1 1 361.442 2.488 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000738144020 602519212 /nfs/dbraw/zinc/51/92/12/602519212.db2.gz YFPUQXQDKYZWDD-UHFFFAOYSA-N -1 1 356.382 2.143 20 0 FEADMM C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738635920 602530641 /nfs/dbraw/zinc/53/06/41/602530641.db2.gz CBPZRSYDNOHXSI-KBPBESRZSA-N -1 1 356.426 2.494 20 0 FEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739956400 602543385 /nfs/dbraw/zinc/54/33/85/602543385.db2.gz DOPBBUDNYVROMQ-CABCVRRESA-N -1 1 363.458 2.146 20 0 FEADMM CCCN(CC(=O)N[C@H](C)c1ccccc1OC)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352626 602545135 /nfs/dbraw/zinc/54/51/35/602545135.db2.gz DSMIEFWZROLRTI-CABCVRRESA-N -1 1 363.458 2.337 20 0 FEADMM O=S(=O)(NC1CCCCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487991 607573965 /nfs/dbraw/zinc/57/39/65/607573965.db2.gz GEHNZRCLTJETOI-UHFFFAOYSA-N -1 1 353.423 2.397 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000739609552 602690903 /nfs/dbraw/zinc/69/09/03/602690903.db2.gz VYKUZWIEPXSQQH-QWHCGFSZSA-N -1 1 354.476 2.040 20 0 FEADMM O=C([O-])NCc1nc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000740683138 602707790 /nfs/dbraw/zinc/70/77/90/602707790.db2.gz BSQMEWIPLIPHOC-AWEZNQCLSA-N -1 1 374.466 2.305 20 0 FEADMM CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000824024524 607581750 /nfs/dbraw/zinc/58/17/50/607581750.db2.gz ICIOHBWDPYZGMY-UHFFFAOYSA-N -1 1 372.406 2.454 20 0 FEADMM CC(C)CCN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824249857 607583314 /nfs/dbraw/zinc/58/33/14/607583314.db2.gz VTRQZQFCWVOGJY-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)CCN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824249857 607583316 /nfs/dbraw/zinc/58/33/16/607583316.db2.gz VTRQZQFCWVOGJY-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM CCN(CC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739392897 602758838 /nfs/dbraw/zinc/75/88/38/602758838.db2.gz MHAIMBDYDZYXPF-CQSZACIVSA-N -1 1 373.375 2.396 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)c(F)cc2F)n1 ZINC000824148389 607586745 /nfs/dbraw/zinc/58/67/45/607586745.db2.gz SSDYFRYVZDOYEW-UHFFFAOYSA-N -1 1 365.319 2.488 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)c(F)cc2F)n1 ZINC000824148389 607586747 /nfs/dbraw/zinc/58/67/47/607586747.db2.gz SSDYFRYVZDOYEW-UHFFFAOYSA-N -1 1 365.319 2.488 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000826288800 607590842 /nfs/dbraw/zinc/59/08/42/607590842.db2.gz XKWLUUMIPUMSGC-UHFFFAOYSA-N -1 1 369.859 2.369 20 0 FEADMM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558757202 674514668 /nfs/dbraw/zinc/51/46/68/674514668.db2.gz BMPGYQMMEDOITF-JTQLQIEISA-N -1 1 368.842 2.101 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-])c1cccs1 ZINC000827993814 603003951 /nfs/dbraw/zinc/00/39/51/603003951.db2.gz GINMFXDADKILAJ-MELADBBJSA-N -1 1 368.503 2.476 20 0 FEADMM Cc1nc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cs1 ZINC000740222620 603058343 /nfs/dbraw/zinc/05/83/43/603058343.db2.gz SCVQFJORPNLBCC-UHFFFAOYSA-N -1 1 372.410 2.185 20 0 FEADMM Cc1nc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cs1 ZINC000740222620 603058350 /nfs/dbraw/zinc/05/83/50/603058350.db2.gz SCVQFJORPNLBCC-UHFFFAOYSA-N -1 1 372.410 2.185 20 0 FEADMM Cc1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000830677886 603077123 /nfs/dbraw/zinc/07/71/23/603077123.db2.gz KMMGGPAEXQCDIL-LBPRGKRZSA-N -1 1 365.777 2.070 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NC2CCC(NC(=O)[O-])CC2)ccc1F ZINC000739610083 603101051 /nfs/dbraw/zinc/10/10/51/603101051.db2.gz KXXGWQLNKMEEDO-UHFFFAOYSA-N -1 1 366.437 2.265 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000739960666 603181519 /nfs/dbraw/zinc/18/15/19/603181519.db2.gz AZXCSSOSSXAYGO-ZQIUZPCESA-N -1 1 361.442 2.089 20 0 FEADMM O=S(=O)(NC[C@@H]1CCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489906 607614126 /nfs/dbraw/zinc/61/41/26/607614126.db2.gz CZFUMINRPZWINM-LBPRGKRZSA-N -1 1 373.413 2.014 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)N(C)C)c1 ZINC000739946386 603232533 /nfs/dbraw/zinc/23/25/33/603232533.db2.gz UBNTVFHKDASICC-VYDXJSESSA-N -1 1 363.458 2.241 20 0 FEADMM C[C@H](CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)NC(=O)[O-] ZINC000824623484 603248706 /nfs/dbraw/zinc/24/87/06/603248706.db2.gz UJNCPGWFQAEHEC-GFCCVEGCSA-N -1 1 353.850 2.467 20 0 FEADMM C[C@H](NC(=O)CN(C)CCCNC(=O)[O-])c1ccc(Br)cc1 ZINC000738959928 603255643 /nfs/dbraw/zinc/25/56/43/603255643.db2.gz YCJKHAYUQRNMHH-NSHDSACASA-N -1 1 372.263 2.216 20 0 FEADMM O=C([O-])N1CCC(n2cc(C(=O)Nc3cccc(Cl)c3O)nn2)CC1 ZINC000740470822 603309825 /nfs/dbraw/zinc/30/98/25/603309825.db2.gz YWISMONZCDNVDE-UHFFFAOYSA-N -1 1 365.777 2.204 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NC2(c3nn[nH]n3)CCCC2)c(Cl)c1 ZINC000740697645 603318333 /nfs/dbraw/zinc/31/83/33/603318333.db2.gz GQAMUFYZIWQXMV-UHFFFAOYSA-N -1 1 350.766 2.142 20 0 FEADMM C[C@@H](CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738898797 603355589 /nfs/dbraw/zinc/35/55/89/603355589.db2.gz BBDAUHUDVOHFNR-KBPBESRZSA-N -1 1 352.435 2.152 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000740064304 603413072 /nfs/dbraw/zinc/41/30/72/603413072.db2.gz RAGXEMYCLHQVFK-SJLPKXTDSA-N -1 1 361.486 2.249 20 0 FEADMM O=C([O-])N[C@H]1CC[C@H](C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000832264314 603496069 /nfs/dbraw/zinc/49/60/69/603496069.db2.gz ZJBQRRWRLRMWSW-YOEHRIQHSA-N -1 1 363.433 2.343 20 0 FEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000829604936 603559189 /nfs/dbraw/zinc/55/91/89/603559189.db2.gz SXIZZLVBVGJBMT-MRXNPFEDSA-N -1 1 358.398 2.133 20 0 FEADMM CC(C)[C@@H](CCN(C)C(=O)CSc1n[nH]c(=S)s1)NC(=O)[O-] ZINC000824080178 603566955 /nfs/dbraw/zinc/56/69/55/603566955.db2.gz XMMRJAPRONCNFB-MRVPVSSYSA-N -1 1 364.518 2.060 20 0 FEADMM COC(=O)c1ccc(OCCN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000828789387 603567445 /nfs/dbraw/zinc/56/74/45/603567445.db2.gz WESXMYRPYNVRQB-FZMZJTMJSA-N -1 1 370.833 2.483 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1ccsc1 ZINC000828200770 603688919 /nfs/dbraw/zinc/68/89/19/603688919.db2.gz ZRTNXXGGPQVERU-KGLIPLIRSA-N -1 1 354.476 2.135 20 0 FEADMM CS[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826226847 607650696 /nfs/dbraw/zinc/65/06/96/607650696.db2.gz HLQWPDFFUJDTAQ-BDAKNGLRSA-N -1 1 373.891 2.083 20 0 FEADMM CS[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826226847 607650698 /nfs/dbraw/zinc/65/06/98/607650698.db2.gz HLQWPDFFUJDTAQ-BDAKNGLRSA-N -1 1 373.891 2.083 20 0 FEADMM O=C([O-])N1CCc2cccc(CNCc3ccc(N4CCOCC4)nc3)c21 ZINC000832087576 603850841 /nfs/dbraw/zinc/85/08/41/603850841.db2.gz XWKDVAIGWOBZGE-UHFFFAOYSA-N -1 1 368.437 2.249 20 0 FEADMM O=C([O-])N1CC[C@@](F)(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)C1 ZINC000831907321 603854210 /nfs/dbraw/zinc/85/42/10/603854210.db2.gz BTFIHHUMHYYFKI-GUYCJALGSA-N -1 1 362.361 2.445 20 0 FEADMM O=C([O-])N1CC[C@@](F)(C(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000831907262 603867468 /nfs/dbraw/zinc/86/74/68/603867468.db2.gz AYWUNFGQMYXCAA-KRWDZBQOSA-N -1 1 367.446 2.266 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000826088364 603868020 /nfs/dbraw/zinc/86/80/20/603868020.db2.gz XILPBFCYJDSKIV-QXSJWSMHSA-N -1 1 352.479 2.081 20 0 FEADMM C[C@@H](CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)NC(=O)[O-] ZINC000824793505 604045664 /nfs/dbraw/zinc/04/56/64/604045664.db2.gz LHCMXBUATOCQFR-SMDDNHRTSA-N -1 1 356.854 2.288 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)[O-])C3)[nH]c2c1 ZINC000830432418 604096549 /nfs/dbraw/zinc/09/65/49/604096549.db2.gz GNDZMOMSKIHMIB-QWHCGFSZSA-N -1 1 359.430 2.449 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000825629864 604103930 /nfs/dbraw/zinc/10/39/30/604103930.db2.gz JPJYLFYIOAWATC-CJNGLKHVSA-N -1 1 351.422 2.419 20 0 FEADMM CN(C[C@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1)C(=O)[O-] ZINC000828180106 604250053 /nfs/dbraw/zinc/25/00/53/604250053.db2.gz HNCVWYOZFGGIMV-CYBMUJFWSA-N -1 1 358.402 2.121 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000829555513 604259514 /nfs/dbraw/zinc/25/95/14/604259514.db2.gz BYUVLDZPFBCUCH-GOEBONIOSA-N -1 1 363.458 2.022 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000829555511 604259615 /nfs/dbraw/zinc/25/96/15/604259615.db2.gz BYUVLDZPFBCUCH-GDBMZVCRSA-N -1 1 363.458 2.022 20 0 FEADMM COc1cccc([C@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)N(C)C)c1 ZINC000832534143 604323114 /nfs/dbraw/zinc/32/31/14/604323114.db2.gz UZWVBHBMCQHWQT-INIZCTEOSA-N -1 1 358.398 2.213 20 0 FEADMM CC(=O)NC(=Cc1ccccc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833394896 604500748 /nfs/dbraw/zinc/50/07/48/604500748.db2.gz HXQDTBDYAHIFAJ-GDNBJRDFSA-N -1 1 364.361 2.377 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCCC[C@H]2CC(=O)[O-])n[nH]1 ZINC000650507300 604669812 /nfs/dbraw/zinc/66/98/12/604669812.db2.gz PXQLUQVCXYRUPT-AWEZNQCLSA-N -1 1 371.441 2.356 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)C2=O)cc1 ZINC000830236694 604764086 /nfs/dbraw/zinc/76/40/86/604764086.db2.gz CYJWKEFRXRSRGA-RISOHXOYSA-N -1 1 373.453 2.016 20 0 FEADMM O=C([O-])N1CCN(C(=O)CN[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000832024097 604771649 /nfs/dbraw/zinc/77/16/49/604771649.db2.gz DXXONHYFXAJTTF-CYBMUJFWSA-N -1 1 369.874 2.289 20 0 FEADMM O=C([O-])N1CCN(C(=O)CN[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000832024098 604771824 /nfs/dbraw/zinc/77/18/24/604771824.db2.gz DXXONHYFXAJTTF-ZDUSSCGKSA-N -1 1 369.874 2.289 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3CNC(=O)[O-])n[nH]2)c1 ZINC000829532211 604780659 /nfs/dbraw/zinc/78/06/59/604780659.db2.gz YCYBIVWFIACYPW-ZDUSSCGKSA-N -1 1 358.398 2.348 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(F)cc1F ZINC000826295059 607716371 /nfs/dbraw/zinc/71/63/71/607716371.db2.gz OZWMEFVKTDTNET-UHFFFAOYSA-N -1 1 354.320 2.212 20 0 FEADMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833542559 604898352 /nfs/dbraw/zinc/89/83/52/604898352.db2.gz KMMHVYGKMNOKTF-CABZTGNLSA-N -1 1 371.315 2.008 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000833765674 604898387 /nfs/dbraw/zinc/89/83/87/604898387.db2.gz WLMSJYXTUSOZSH-AWEZNQCLSA-N -1 1 374.397 2.027 20 0 FEADMM O=C([O-])C[C@H]1CCCN1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000833210289 604982336 /nfs/dbraw/zinc/98/23/36/604982336.db2.gz GWTUQFSPPKMYLT-FOIQADDNSA-N -1 1 371.437 2.057 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1cccc(Cl)c1 ZINC000833626413 605044197 /nfs/dbraw/zinc/04/41/97/605044197.db2.gz QUFAGCFVQAEZEC-ZDUSSCGKSA-N -1 1 353.850 2.073 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1ccccc1F ZINC000833621980 605047826 /nfs/dbraw/zinc/04/78/26/605047826.db2.gz CVZIEXHUOGAVGV-CQSZACIVSA-N -1 1 365.449 2.294 20 0 FEADMM Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cs1 ZINC000833752904 605075459 /nfs/dbraw/zinc/07/54/59/605075459.db2.gz DTYOLAFLDPPPTD-ZDUSSCGKSA-N -1 1 356.407 2.267 20 0 FEADMM C[C@@H](NC1CN(C(=O)[O-])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000825486579 605100213 /nfs/dbraw/zinc/10/02/13/605100213.db2.gz ZBJOYKQIFWXIMU-GFCCVEGCSA-N -1 1 352.456 2.416 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1Br ZINC000833623673 605105657 /nfs/dbraw/zinc/10/56/57/605105657.db2.gz FITHFYNSBWPPMC-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM CC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@H](C)C1 ZINC000823972459 607735575 /nfs/dbraw/zinc/73/55/75/607735575.db2.gz BPYVBDCULVPYFO-BXUZGUMPSA-N -1 1 351.414 2.084 20 0 FEADMM CC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@H](C)C1 ZINC000823972459 607735576 /nfs/dbraw/zinc/73/55/76/607735576.db2.gz BPYVBDCULVPYFO-BXUZGUMPSA-N -1 1 351.414 2.084 20 0 FEADMM COc1ccc(O)c(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000833733225 605125027 /nfs/dbraw/zinc/12/50/27/605125027.db2.gz DBKHZPOLCPZZMA-UHFFFAOYSA-N -1 1 363.391 2.318 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C[C@H]1C ZINC000833655540 605159898 /nfs/dbraw/zinc/15/98/98/605159898.db2.gz DCDNQNTYXBLEQY-VXGBXAGGSA-N -1 1 365.430 2.348 20 0 FEADMM COc1cc2ccccc2cc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833730000 605163748 /nfs/dbraw/zinc/16/37/48/605163748.db2.gz LAHKCJCXPNGKQU-AWEZNQCLSA-N -1 1 356.422 2.469 20 0 FEADMM C[C@](CNC(=O)[O-])(NCc1csc(-c2ccc(C(N)=O)cc2)n1)C1CC1 ZINC000824953362 605164341 /nfs/dbraw/zinc/16/43/41/605164341.db2.gz VOGQLWQNJXDNRB-GOSISDBHSA-N -1 1 374.466 2.435 20 0 FEADMM COc1ccc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)CCC2)cc1 ZINC000833730808 605169965 /nfs/dbraw/zinc/16/99/65/605169965.db2.gz FFBZOXUYZBDUKW-OAHLLOKOSA-N -1 1 360.454 2.124 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000833629425 605200269 /nfs/dbraw/zinc/20/02/69/605200269.db2.gz VXAOAXBUIQPPOR-NSHDSACASA-N -1 1 374.268 2.413 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCc2c1cccc2Cl ZINC000833618552 605268198 /nfs/dbraw/zinc/26/81/98/605268198.db2.gz CNVJLRGFLJWXOI-DOMZBBRYSA-N -1 1 350.846 2.377 20 0 FEADMM CC(C)(C)[C@@H]1CCN([C@@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833426482 605320014 /nfs/dbraw/zinc/32/00/14/605320014.db2.gz USRBDFPOUXAOGL-ZYHUDNBSSA-N -1 1 350.440 2.446 20 0 FEADMM C[C@@H](Cc1noc([C@H]2CCCN(Cc3cccnc3)C2)n1)N(C)C(=O)[O-] ZINC000825041433 605330123 /nfs/dbraw/zinc/33/01/23/605330123.db2.gz CNCVTXWSBOLPPE-ZFWWWQNUSA-N -1 1 359.430 2.385 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000833864487 605374637 /nfs/dbraw/zinc/37/46/37/605374637.db2.gz NYXMYBZFRVTGTB-KGLIPLIRSA-N -1 1 357.414 2.224 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000833864487 605374643 /nfs/dbraw/zinc/37/46/43/605374643.db2.gz NYXMYBZFRVTGTB-KGLIPLIRSA-N -1 1 357.414 2.224 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC([C@@H]2CCOC2)CC1 ZINC000833404112 605400692 /nfs/dbraw/zinc/40/06/92/605400692.db2.gz GMDASBIHKJIBPG-RDTXWAMCSA-N -1 1 360.454 2.138 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000825815962 605504479 /nfs/dbraw/zinc/50/44/79/605504479.db2.gz GTMOBAQMILPTMS-MRVWCRGKSA-N -1 1 354.476 2.181 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000833627511 605634505 /nfs/dbraw/zinc/63/45/05/605634505.db2.gz XBWWWMIRSWNPBH-MAUKXSAKSA-N -1 1 360.454 2.202 20 0 FEADMM O=C([O-])N1CCOC[C@@H]1c1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000834115786 605710808 /nfs/dbraw/zinc/71/08/08/605710808.db2.gz GBOAOMYWFNRSBE-CYBMUJFWSA-N -1 1 359.317 2.317 20 0 FEADMM Cc1ccc(C[C@H]2CCCN2C(=O)CN2CCC(NC(=O)[O-])CC2)cc1 ZINC000830287881 605722145 /nfs/dbraw/zinc/72/21/45/605722145.db2.gz BAYFTCCZGQKLFZ-GOSISDBHSA-N -1 1 359.470 2.261 20 0 FEADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000831803058 605724990 /nfs/dbraw/zinc/72/49/90/605724990.db2.gz ZFASZRJYDQGEPG-QGZVFWFLSA-N -1 1 363.377 2.483 20 0 FEADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000834252213 605931685 /nfs/dbraw/zinc/93/16/85/605931685.db2.gz YKMSKBQMNUCORO-INIZCTEOSA-N -1 1 364.365 2.257 20 0 FEADMM O=C([O-])NC1(CC(=O)Nc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000834154328 605975727 /nfs/dbraw/zinc/97/57/27/605975727.db2.gz NCOZUDUSQIORNV-UHFFFAOYSA-N -1 1 361.442 2.162 20 0 FEADMM O=C([O-])N(CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)C1CC1 ZINC000834001593 605983431 /nfs/dbraw/zinc/98/34/31/605983431.db2.gz UFVALNSWSGGXQK-UHFFFAOYSA-N -1 1 369.425 2.320 20 0 FEADMM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000834132346 606004413 /nfs/dbraw/zinc/00/44/13/606004413.db2.gz LBZCVDUEJSVSKR-AWEZNQCLSA-N -1 1 355.385 2.012 20 0 FEADMM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000834131672 606026997 /nfs/dbraw/zinc/02/69/97/606026997.db2.gz AZMMRIGZPYSZPJ-ZDUSSCGKSA-N -1 1 373.425 2.465 20 0 FEADMM CCC(CC)(CNC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833841449 606092943 /nfs/dbraw/zinc/09/29/43/606092943.db2.gz JTBIGYXKGXLMSG-CYBMUJFWSA-N -1 1 363.462 2.462 20 0 FEADMM O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823393418 606134742 /nfs/dbraw/zinc/13/47/42/606134742.db2.gz XQBGKXSJDHHWIC-AWEZNQCLSA-N -1 1 369.406 2.105 20 0 FEADMM O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823393418 606134745 /nfs/dbraw/zinc/13/47/45/606134745.db2.gz XQBGKXSJDHHWIC-AWEZNQCLSA-N -1 1 369.406 2.105 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000821648280 606140306 /nfs/dbraw/zinc/14/03/06/606140306.db2.gz FZRXWVFMZYALFJ-LBPRGKRZSA-N -1 1 362.342 2.138 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000821648280 606140307 /nfs/dbraw/zinc/14/03/07/606140307.db2.gz FZRXWVFMZYALFJ-LBPRGKRZSA-N -1 1 362.342 2.138 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000822548982 606149115 /nfs/dbraw/zinc/14/91/15/606149115.db2.gz QPHMPYGXURLABY-JTQLQIEISA-N -1 1 361.402 2.385 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000822614959 606161934 /nfs/dbraw/zinc/16/19/34/606161934.db2.gz YCDAQLQOHAEEFF-ZFWWWQNUSA-N -1 1 366.429 2.133 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000822614959 606161935 /nfs/dbraw/zinc/16/19/35/606161935.db2.gz YCDAQLQOHAEEFF-ZFWWWQNUSA-N -1 1 366.429 2.133 20 0 FEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000820920999 606171528 /nfs/dbraw/zinc/17/15/28/606171528.db2.gz USKMHDMFXXODNI-LBPRGKRZSA-N -1 1 362.344 2.151 20 0 FEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820920999 606171531 /nfs/dbraw/zinc/17/15/31/606171531.db2.gz USKMHDMFXXODNI-LBPRGKRZSA-N -1 1 362.344 2.151 20 0 FEADMM O=C(CSc1nc2ccccc2o1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823070547 606294371 /nfs/dbraw/zinc/29/43/71/606294371.db2.gz DRQJBNHUURNFIL-UHFFFAOYSA-N -1 1 368.378 2.444 20 0 FEADMM CC(C)(C)N1C[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1=O ZINC000819913913 606420642 /nfs/dbraw/zinc/42/06/42/606420642.db2.gz HFZRSFKPJARGLC-LLVKDONJSA-N -1 1 351.414 2.226 20 0 FEADMM CC(C)(C)N1C[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1=O ZINC000819913913 606420644 /nfs/dbraw/zinc/42/06/44/606420644.db2.gz HFZRSFKPJARGLC-LLVKDONJSA-N -1 1 351.414 2.226 20 0 FEADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820995312 606421120 /nfs/dbraw/zinc/42/11/20/606421120.db2.gz PLKIMMOTRYMCLJ-NWDGAFQWSA-N -1 1 363.853 2.141 20 0 FEADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820995312 606421121 /nfs/dbraw/zinc/42/11/21/606421121.db2.gz PLKIMMOTRYMCLJ-NWDGAFQWSA-N -1 1 363.853 2.141 20 0 FEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nnc2n1CCCCC2 ZINC000820454990 606448121 /nfs/dbraw/zinc/44/81/21/606448121.db2.gz ANZQXRLELXGSPI-VIFPVBQESA-N -1 1 359.825 2.406 20 0 FEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nnc2n1CCCCC2 ZINC000820454990 606448122 /nfs/dbraw/zinc/44/81/22/606448122.db2.gz ANZQXRLELXGSPI-VIFPVBQESA-N -1 1 359.825 2.406 20 0 FEADMM O=C(NCCCn1cnc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823197794 606520785 /nfs/dbraw/zinc/52/07/85/606520785.db2.gz UVGQGWLUCMJUTC-UHFFFAOYSA-N -1 1 353.411 2.098 20 0 FEADMM O=C(NCCCn1cnc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823197794 606520787 /nfs/dbraw/zinc/52/07/87/606520787.db2.gz UVGQGWLUCMJUTC-UHFFFAOYSA-N -1 1 353.411 2.098 20 0 FEADMM COC(=O)NCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821664856 606564895 /nfs/dbraw/zinc/56/48/95/606564895.db2.gz LMKCPPYRTKOUMY-UHFFFAOYSA-N -1 1 358.383 2.037 20 0 FEADMM COC(=O)NCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821664856 606564896 /nfs/dbraw/zinc/56/48/96/606564896.db2.gz LMKCPPYRTKOUMY-UHFFFAOYSA-N -1 1 358.383 2.037 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000822613709 606578433 /nfs/dbraw/zinc/57/84/33/606578433.db2.gz FVDIQFVJHGDIKK-RKDXNWHRSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000822613709 606578435 /nfs/dbraw/zinc/57/84/35/606578435.db2.gz FVDIQFVJHGDIKK-RKDXNWHRSA-N -1 1 372.355 2.090 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820380656 606578654 /nfs/dbraw/zinc/57/86/54/606578654.db2.gz XYIBSHGLZDCQQW-SSDOTTSWSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820380656 606578655 /nfs/dbraw/zinc/57/86/55/606578655.db2.gz XYIBSHGLZDCQQW-SSDOTTSWSA-N -1 1 364.772 2.275 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000823435858 606648512 /nfs/dbraw/zinc/64/85/12/606648512.db2.gz BQTHFGSYCQPFIW-UHFFFAOYSA-N -1 1 374.360 2.386 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000823435858 606648513 /nfs/dbraw/zinc/64/85/13/606648513.db2.gz BQTHFGSYCQPFIW-UHFFFAOYSA-N -1 1 374.360 2.386 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000823435891 606648953 /nfs/dbraw/zinc/64/89/53/606648953.db2.gz CSGAARZTZGZTCJ-KUHUBIRLSA-N -1 1 363.377 2.045 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000823435891 606648954 /nfs/dbraw/zinc/64/89/54/606648954.db2.gz CSGAARZTZGZTCJ-KUHUBIRLSA-N -1 1 363.377 2.045 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2)nc1 ZINC000823436036 606650665 /nfs/dbraw/zinc/65/06/65/606650665.db2.gz FLWUMWUKUGRQMT-UHFFFAOYSA-N -1 1 359.349 2.076 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(-c2ccccc2)nc1 ZINC000823436036 606650666 /nfs/dbraw/zinc/65/06/66/606650666.db2.gz FLWUMWUKUGRQMT-UHFFFAOYSA-N -1 1 359.349 2.076 20 0 FEADMM COCCCOc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821688704 606651768 /nfs/dbraw/zinc/65/17/68/606651768.db2.gz WQMSMUZCEDAWAI-UHFFFAOYSA-N -1 1 369.381 2.034 20 0 FEADMM COCCCOc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821688704 606651769 /nfs/dbraw/zinc/65/17/69/606651769.db2.gz WQMSMUZCEDAWAI-UHFFFAOYSA-N -1 1 369.381 2.034 20 0 FEADMM Cc1cnn(-c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822399819 606653043 /nfs/dbraw/zinc/65/30/43/606653043.db2.gz NHLADHNMESRJTB-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1cnn(-c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822399819 606653044 /nfs/dbraw/zinc/65/30/44/606653044.db2.gz NHLADHNMESRJTB-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820993738 606691238 /nfs/dbraw/zinc/69/12/38/606691238.db2.gz BEECSEBMAMTDFP-HNNXBMFYSA-N -1 1 363.425 2.133 20 0 FEADMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820993738 606691239 /nfs/dbraw/zinc/69/12/39/606691239.db2.gz BEECSEBMAMTDFP-HNNXBMFYSA-N -1 1 363.425 2.133 20 0 FEADMM O=C([N-]c1cc(C(F)(F)F)no1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823299169 606697590 /nfs/dbraw/zinc/69/75/90/606697590.db2.gz LAFNRQBSJARHFC-UHFFFAOYSA-N -1 1 360.202 2.404 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2Cl)s1 ZINC000822432132 606711400 /nfs/dbraw/zinc/71/14/00/606711400.db2.gz XZWGJNABALTUDV-UHFFFAOYSA-N -1 1 370.847 2.394 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)Cc1cccn1C ZINC000822535618 606746163 /nfs/dbraw/zinc/74/61/63/606746163.db2.gz YLQAFZAREMYKHQ-UHFFFAOYSA-N -1 1 365.397 2.170 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)Cc1cccn1C ZINC000822535618 606746164 /nfs/dbraw/zinc/74/61/64/606746164.db2.gz YLQAFZAREMYKHQ-UHFFFAOYSA-N -1 1 365.397 2.170 20 0 FEADMM Cc1cccc2c1CCCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822340956 606765246 /nfs/dbraw/zinc/76/52/46/606765246.db2.gz ONCICYIKAWBXSN-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM CC(C)(C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819907934 606843505 /nfs/dbraw/zinc/84/35/05/606843505.db2.gz UDYOXTATHMDZQZ-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2)C1 ZINC000823600447 606844734 /nfs/dbraw/zinc/84/47/34/606844734.db2.gz HXBORUQECWIGRO-ZDUSSCGKSA-N -1 1 373.413 2.184 20 0 FEADMM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821656078 606874501 /nfs/dbraw/zinc/87/45/01/606874501.db2.gz XHVYFGARRRBHSC-WDEREUQCSA-N -1 1 363.443 2.170 20 0 FEADMM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821656078 606874506 /nfs/dbraw/zinc/87/45/06/606874506.db2.gz XHVYFGARRRBHSC-WDEREUQCSA-N -1 1 363.443 2.170 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC2(CCC2)C1 ZINC000823607405 606937709 /nfs/dbraw/zinc/93/77/09/606937709.db2.gz UITPRPRJKKTICF-UHFFFAOYSA-N -1 1 353.835 2.085 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC2(CCC2)C1 ZINC000823607405 606937710 /nfs/dbraw/zinc/93/77/10/606937710.db2.gz UITPRPRJKKTICF-UHFFFAOYSA-N -1 1 353.835 2.085 20 0 FEADMM O=C(COC/C=C\c1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823032313 606968566 /nfs/dbraw/zinc/96/85/66/606968566.db2.gz PLQQMJQSLQUFNY-DAXSKMNVSA-N -1 1 351.366 2.241 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000823484320 606988288 /nfs/dbraw/zinc/98/82/88/606988288.db2.gz VSQRQLHJOHUWFD-QWRGUYRKSA-N -1 1 359.411 2.250 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000823484320 606988290 /nfs/dbraw/zinc/98/82/90/606988290.db2.gz VSQRQLHJOHUWFD-QWRGUYRKSA-N -1 1 359.411 2.250 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000823383278 607024776 /nfs/dbraw/zinc/02/47/76/607024776.db2.gz OWZXWUKNLGXBMA-LBPRGKRZSA-N -1 1 372.410 2.133 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000823383278 607024779 /nfs/dbraw/zinc/02/47/79/607024779.db2.gz OWZXWUKNLGXBMA-LBPRGKRZSA-N -1 1 372.410 2.133 20 0 FEADMM O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)[N-]OCC(F)(F)F ZINC000822955009 607100127 /nfs/dbraw/zinc/10/01/27/607100127.db2.gz IJYCTPYGSKUMCK-UHFFFAOYSA-N -1 1 359.308 2.026 20 0 FEADMM CC=C(C=CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC ZINC000820831745 607119464 /nfs/dbraw/zinc/11/94/64/607119464.db2.gz BYDPDDFYJSUOSX-KRMQVSRUSA-N -1 1 359.386 2.471 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000822535237 607134829 /nfs/dbraw/zinc/13/48/29/607134829.db2.gz KNKFCUULRSJXBJ-WCQYABFASA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000822535237 607134830 /nfs/dbraw/zinc/13/48/30/607134830.db2.gz KNKFCUULRSJXBJ-WCQYABFASA-N -1 1 370.413 2.104 20 0 FEADMM CC(=O)Oc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000819827079 607156510 /nfs/dbraw/zinc/15/65/10/607156510.db2.gz RRWLIBREIOFWOO-UHFFFAOYSA-N -1 1 361.361 2.155 20 0 FEADMM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823373143 607167026 /nfs/dbraw/zinc/16/70/26/607167026.db2.gz RNBLYDCAUYFQKM-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823373143 607167027 /nfs/dbraw/zinc/16/70/27/607167027.db2.gz RNBLYDCAUYFQKM-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC2CCC1CC2 ZINC000822004776 607167236 /nfs/dbraw/zinc/16/72/36/607167236.db2.gz KNVQJINDIIXZRD-PIMMBPRGSA-N -1 1 370.457 2.212 20 0 FEADMM Cc1cnoc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000822403712 607178419 /nfs/dbraw/zinc/17/84/19/607178419.db2.gz SIAWWCZRZIQHLR-UHFFFAOYSA-N -1 1 365.353 2.014 20 0 FEADMM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426132 607803572 /nfs/dbraw/zinc/80/35/72/607803572.db2.gz GHEHFSLUBHSMLF-CXAGYDPISA-N -1 1 364.409 2.159 20 0 FEADMM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426132 607803573 /nfs/dbraw/zinc/80/35/73/607803573.db2.gz GHEHFSLUBHSMLF-CXAGYDPISA-N -1 1 364.409 2.159 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826473293 607837987 /nfs/dbraw/zinc/83/79/87/607837987.db2.gz RTZWCAPHDXLGMM-UHFFFAOYSA-N -1 1 350.382 2.067 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826486906 607867916 /nfs/dbraw/zinc/86/79/16/607867916.db2.gz WLZDXAGZZPMEIH-UHFFFAOYSA-N -1 1 352.322 2.054 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826486906 607867917 /nfs/dbraw/zinc/86/79/17/607867917.db2.gz WLZDXAGZZPMEIH-UHFFFAOYSA-N -1 1 352.322 2.054 20 0 FEADMM O=C(NC[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000826435034 607901089 /nfs/dbraw/zinc/90/10/89/607901089.db2.gz FEKQIKLGUHCCQP-HNNXBMFYSA-N -1 1 363.425 2.051 20 0 FEADMM O=C(NC[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826435034 607901090 /nfs/dbraw/zinc/90/10/90/607901090.db2.gz FEKQIKLGUHCCQP-HNNXBMFYSA-N -1 1 363.425 2.051 20 0 FEADMM CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1cccnc1 ZINC000825797123 607901937 /nfs/dbraw/zinc/90/19/37/607901937.db2.gz UZZRFEHYLOPDML-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1cccnc1 ZINC000825797123 607901938 /nfs/dbraw/zinc/90/19/38/607901938.db2.gz UZZRFEHYLOPDML-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM O[C@H]1C[C@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506778 607936818 /nfs/dbraw/zinc/93/68/18/607936818.db2.gz BNMLTWLPKMSTMZ-VHSXEESVSA-N -1 1 366.809 2.428 20 0 FEADMM O[C@H]1C[C@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826506778 607936819 /nfs/dbraw/zinc/93/68/19/607936819.db2.gz BNMLTWLPKMSTMZ-VHSXEESVSA-N -1 1 366.809 2.428 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000826341055 607955890 /nfs/dbraw/zinc/95/58/90/607955890.db2.gz UXWSWCFYQDBDHV-UHFFFAOYSA-N -1 1 365.353 2.220 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000826341055 607955891 /nfs/dbraw/zinc/95/58/91/607955891.db2.gz UXWSWCFYQDBDHV-UHFFFAOYSA-N -1 1 365.353 2.220 20 0 FEADMM Cc1onc(-c2ccncc2)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826343386 607998824 /nfs/dbraw/zinc/99/88/24/607998824.db2.gz YKHXZIGAGTUPRP-UHFFFAOYSA-N -1 1 363.337 2.183 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccccc2CCC(F)(F)F)n1 ZINC000826357851 608006379 /nfs/dbraw/zinc/00/63/79/608006379.db2.gz UBPFAPDAFZUYKE-UHFFFAOYSA-N -1 1 365.319 2.347 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccccc2CCC(F)(F)F)n1 ZINC000826357851 608006380 /nfs/dbraw/zinc/00/63/80/608006380.db2.gz UBPFAPDAFZUYKE-UHFFFAOYSA-N -1 1 365.319 2.347 20 0 FEADMM COc1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)CCC2)cc1 ZINC000826190337 608132292 /nfs/dbraw/zinc/13/22/92/608132292.db2.gz XPLGUWOOASLVQH-UHFFFAOYSA-N -1 1 364.409 2.122 20 0 FEADMM COc1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)CCC2)cc1 ZINC000826190337 608132293 /nfs/dbraw/zinc/13/22/93/608132293.db2.gz XPLGUWOOASLVQH-UHFFFAOYSA-N -1 1 364.409 2.122 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000826340774 608166543 /nfs/dbraw/zinc/16/65/43/608166543.db2.gz KPEPTBGZKYRIRM-AAEUAGOBSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000826340774 608166545 /nfs/dbraw/zinc/16/65/45/608166545.db2.gz KPEPTBGZKYRIRM-AAEUAGOBSA-N -1 1 370.413 2.104 20 0 FEADMM C[C@H](O)CN(Cc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824707783 608191821 /nfs/dbraw/zinc/19/18/21/608191821.db2.gz VWCKUBXYJKLHPT-VIFPVBQESA-N -1 1 350.835 2.364 20 0 FEADMM C[C@H](O)CN(Cc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824707783 608191822 /nfs/dbraw/zinc/19/18/22/608191822.db2.gz VWCKUBXYJKLHPT-VIFPVBQESA-N -1 1 350.835 2.364 20 0 FEADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCCCC1 ZINC000824384373 608210882 /nfs/dbraw/zinc/21/08/82/608210882.db2.gz BFEPCKKNVBJZIS-LBPRGKRZSA-N -1 1 374.493 2.170 20 0 FEADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCCCC1 ZINC000824384373 608210884 /nfs/dbraw/zinc/21/08/84/608210884.db2.gz BFEPCKKNVBJZIS-LBPRGKRZSA-N -1 1 374.493 2.170 20 0 FEADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826189329 608247545 /nfs/dbraw/zinc/24/75/45/608247545.db2.gz SXYVAMAAWLEQRH-MEBBXXQBSA-N -1 1 373.438 2.443 20 0 FEADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826189329 608247546 /nfs/dbraw/zinc/24/75/46/608247546.db2.gz SXYVAMAAWLEQRH-MEBBXXQBSA-N -1 1 373.438 2.443 20 0 FEADMM COc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)nn1 ZINC000826187144 608347335 /nfs/dbraw/zinc/34/73/35/608347335.db2.gz BXSJFLPOPDTCAS-UHFFFAOYSA-N -1 1 359.415 2.277 20 0 FEADMM COc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)nn1 ZINC000826187144 608347337 /nfs/dbraw/zinc/34/73/37/608347337.db2.gz BXSJFLPOPDTCAS-UHFFFAOYSA-N -1 1 359.415 2.277 20 0 FEADMM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824391448 608380118 /nfs/dbraw/zinc/38/01/18/608380118.db2.gz JBXCUNBOTVTTJQ-SECBINFHSA-N -1 1 359.386 2.459 20 0 FEADMM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824391448 608380120 /nfs/dbraw/zinc/38/01/20/608380120.db2.gz JBXCUNBOTVTTJQ-SECBINFHSA-N -1 1 359.386 2.459 20 0 FEADMM O=C(NCc1ccccc1)c1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826443077 608390494 /nfs/dbraw/zinc/39/04/94/608390494.db2.gz ZISXSEUAXNXQTP-UHFFFAOYSA-N -1 1 373.376 2.379 20 0 FEADMM O=C(NCc1ccccc1)c1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826443077 608390495 /nfs/dbraw/zinc/39/04/95/608390495.db2.gz ZISXSEUAXNXQTP-UHFFFAOYSA-N -1 1 373.376 2.379 20 0 FEADMM FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367221 608403886 /nfs/dbraw/zinc/40/38/86/608403886.db2.gz PZFIDWTWRVHBKJ-RNFRBKRXSA-N -1 1 367.257 2.224 20 0 FEADMM FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367221 608403887 /nfs/dbraw/zinc/40/38/87/608403887.db2.gz PZFIDWTWRVHBKJ-RNFRBKRXSA-N -1 1 367.257 2.224 20 0 FEADMM Clc1ccc(Cn2cc(Nc3ccc(-c4nnn[n-]4)nn3)cn2)cc1 ZINC000826352097 608426421 /nfs/dbraw/zinc/42/64/21/608426421.db2.gz NEQLVYUHCOXMTP-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM Clc1ccc(Cn2cc(Nc3ccc(-c4nn[n-]n4)nn3)cn2)cc1 ZINC000826352097 608426422 /nfs/dbraw/zinc/42/64/22/608426422.db2.gz NEQLVYUHCOXMTP-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM FC(F)(F)Oc1ccccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826368739 608432093 /nfs/dbraw/zinc/43/20/93/608432093.db2.gz ZURSQBPWPWNMQZ-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)Oc1ccccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826368739 608432094 /nfs/dbraw/zinc/43/20/94/608432094.db2.gz ZURSQBPWPWNMQZ-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825394879 608498145 /nfs/dbraw/zinc/49/81/45/608498145.db2.gz IVHSGOTZKTZKFF-UHFFFAOYSA-N -1 1 362.340 2.199 20 0 FEADMM CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825394879 608498146 /nfs/dbraw/zinc/49/81/46/608498146.db2.gz IVHSGOTZKTZKFF-UHFFFAOYSA-N -1 1 362.340 2.199 20 0 FEADMM c1coc(-c2nc(-c3nn[n-]n3)c(N3CCN(Cc4ccoc4)CC3)o2)c1 ZINC000826526054 608549185 /nfs/dbraw/zinc/54/91/85/608549185.db2.gz JFDUADBZUHSQIV-UHFFFAOYSA-N -1 1 367.369 2.030 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000826395376 608569073 /nfs/dbraw/zinc/56/90/73/608569073.db2.gz YHUCGWBVHRXMHI-UHFFFAOYSA-N -1 1 357.683 2.006 20 0 FEADMM CCOC(=O)CN(CCc1ccccc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825511934 608697509 /nfs/dbraw/zinc/69/75/09/608697509.db2.gz LXKVYSNTMAUDBJ-UHFFFAOYSA-N -1 1 355.398 2.068 20 0 FEADMM CCOC(=O)CN(CCc1ccccc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825511934 608697512 /nfs/dbraw/zinc/69/75/12/608697512.db2.gz LXKVYSNTMAUDBJ-UHFFFAOYSA-N -1 1 355.398 2.068 20 0 FEADMM CC1(C)Cc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c(O)c2O1 ZINC000824812761 608818752 /nfs/dbraw/zinc/81/87/52/608818752.db2.gz QBEFCCXHAZRSHM-UHFFFAOYSA-N -1 1 367.365 2.244 20 0 FEADMM O=C(Cc1ccsc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826423743 609291016 /nfs/dbraw/zinc/29/10/16/609291016.db2.gz DHZOZKFVKWBLTC-UHFFFAOYSA-N -1 1 369.385 2.434 20 0 FEADMM Cc1nc(C)c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826324367 609293038 /nfs/dbraw/zinc/29/30/38/609293038.db2.gz OFJJYRWUVIZKHP-UHFFFAOYSA-N -1 1 368.332 2.049 20 0 FEADMM Cc1ccc(F)cc1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826290032 609393664 /nfs/dbraw/zinc/39/36/64/609393664.db2.gz XLFTWASQONDZNF-UHFFFAOYSA-N -1 1 371.376 2.087 20 0 FEADMM Cc1ccc(F)cc1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826290032 609393665 /nfs/dbraw/zinc/39/36/65/609393665.db2.gz XLFTWASQONDZNF-UHFFFAOYSA-N -1 1 371.376 2.087 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC000826256492 609399147 /nfs/dbraw/zinc/39/91/47/609399147.db2.gz MAWOSWKTOWTFDE-UHFFFAOYSA-N -1 1 363.175 2.224 20 0 FEADMM CCc1nn(CCCc2ccc(C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763519 609487703 /nfs/dbraw/zinc/48/77/03/609487703.db2.gz YJMVTUUHMIRBLH-UHFFFAOYSA-N -1 1 352.442 2.489 20 0 FEADMM CC(C)c1nc([C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000824358301 609494125 /nfs/dbraw/zinc/49/41/25/609494125.db2.gz GJQPLFGWRBNUEE-LLVKDONJSA-N -1 1 361.431 2.008 20 0 FEADMM CCc1nn(CCCc2ccccc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763552 609514362 /nfs/dbraw/zinc/51/43/62/609514362.db2.gz ZWJPNDJTSFZXHC-UHFFFAOYSA-N -1 1 368.441 2.190 20 0 FEADMM CC(C)(C)OC(=O)N1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824103479 609551620 /nfs/dbraw/zinc/55/16/20/609551620.db2.gz BRNUEBVUTLBAHK-UHFFFAOYSA-N -1 1 351.798 2.277 20 0 FEADMM CC(C)(C)OC(=O)N1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824103479 609551621 /nfs/dbraw/zinc/55/16/21/609551621.db2.gz BRNUEBVUTLBAHK-UHFFFAOYSA-N -1 1 351.798 2.277 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824897442 609567330 /nfs/dbraw/zinc/56/73/30/609567330.db2.gz AIECVZOIICONPU-UHIISALHSA-N -1 1 365.434 2.348 20 0 FEADMM c1nc2c(n1CCc1ccccc1)CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC000826521755 609585954 /nfs/dbraw/zinc/58/59/54/609585954.db2.gz XYUZXKCHLZVUQT-UHFFFAOYSA-N -1 1 372.436 2.264 20 0 FEADMM O=S(=O)(NC[C@H]1CCCCS1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490320 609609743 /nfs/dbraw/zinc/60/97/43/609609743.db2.gz QPDGTPBAUCGSAT-SECBINFHSA-N -1 1 373.891 2.084 20 0 FEADMM O=S(=O)(NC[C@H]1CCCCS1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490320 609609745 /nfs/dbraw/zinc/60/97/45/609609745.db2.gz QPDGTPBAUCGSAT-SECBINFHSA-N -1 1 373.891 2.084 20 0 FEADMM Cc1csc(CCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810903512 674567705 /nfs/dbraw/zinc/56/77/05/674567705.db2.gz KBMJUMLORIGHFW-NSHDSACASA-N -1 1 363.405 2.301 20 0 FEADMM O=C(COc1ccsc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810905273 674567962 /nfs/dbraw/zinc/56/79/62/674567962.db2.gz SKZIICDFYPMHPC-SNVBAGLBSA-N -1 1 350.362 2.044 20 0 FEADMM O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(Br)cc1[O-] ZINC000811576963 674614873 /nfs/dbraw/zinc/61/48/73/674614873.db2.gz YIGLHWDXQWPXDY-IUODEOHRSA-N -1 1 364.195 2.379 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1F ZINC000811726369 674623907 /nfs/dbraw/zinc/62/39/07/674623907.db2.gz QREWVJACJJBMSL-UHFFFAOYSA-N -1 1 371.365 2.159 20 0 FEADMM Cc1cc([N-]S(=O)(=O)N(C)CC2CC2)nn1-c1ccc(F)cc1F ZINC000561381284 674661303 /nfs/dbraw/zinc/66/13/03/674661303.db2.gz IDIAHCASXWEVRO-UHFFFAOYSA-N -1 1 356.398 2.457 20 0 FEADMM CCOc1ncccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812279240 674661587 /nfs/dbraw/zinc/66/15/87/674661587.db2.gz ULPSRTMMXYLUGH-LLVKDONJSA-N -1 1 359.348 2.011 20 0 FEADMM C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(N)=O ZINC000562357828 674745385 /nfs/dbraw/zinc/74/53/85/674745385.db2.gz DLQUPBIVEIFZRU-YVEFUNNKSA-N -1 1 358.419 2.369 20 0 FEADMM Cn1ccnc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000562549602 674769234 /nfs/dbraw/zinc/76/92/34/674769234.db2.gz IUMRPFOYNDDVML-HIFRSBDPSA-N -1 1 361.423 2.365 20 0 FEADMM CCc1c([N-]S(=O)(=O)CC(C)(C)C(=O)OC)cnn1-c1ccccc1 ZINC000562889171 674819744 /nfs/dbraw/zinc/81/97/44/674819744.db2.gz DMVZGUYAAZKPPM-UHFFFAOYSA-N -1 1 365.455 2.376 20 0 FEADMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000562959964 674827801 /nfs/dbraw/zinc/82/78/01/674827801.db2.gz IREWUYJVSREMMV-JQWIXIFHSA-N -1 1 353.216 2.038 20 0 FEADMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000563059831 674841327 /nfs/dbraw/zinc/84/13/27/674841327.db2.gz XICQKIONSOYMOQ-NXEZZACHSA-N -1 1 359.753 2.051 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC000815200531 674929982 /nfs/dbraw/zinc/92/99/82/674929982.db2.gz JOOXQDIEMMQQFB-OLZOCXBDSA-N -1 1 351.451 2.122 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)c([O-])c1 ZINC000563685240 674926228 /nfs/dbraw/zinc/92/62/28/674926228.db2.gz SECJULNWJQLRGP-ZYHUDNBSSA-N -1 1 353.216 2.038 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)C1CC1)c1cc(Br)c(F)cc1F ZINC000563752956 674935512 /nfs/dbraw/zinc/93/55/12/674935512.db2.gz LHFYTAPOWYHCLG-MRVPVSSYSA-N -1 1 370.215 2.024 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1 ZINC000816536003 675063562 /nfs/dbraw/zinc/06/35/62/675063562.db2.gz JBAQROCWFQGGHO-JTQLQIEISA-N -1 1 354.407 2.028 20 0 FEADMM CCC(Nc1ccc(-c2nccs2)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009951359 669985099 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/nfs/dbraw/zinc/73/52/47/671735247.db2.gz ZQYBWNJNKABDON-UHFFFAOYSA-N -1 1 366.464 2.273 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC000580491551 671812053 /nfs/dbraw/zinc/81/20/53/671812053.db2.gz OFGNUILUVZWMIP-NJZAAPMLSA-N -1 1 374.865 2.404 20 0 FEADMM CCc1nc(SCc2nc(-c3ccc(OC)nn3)no2)[n-]c(=O)c1C ZINC000580582343 671819610 /nfs/dbraw/zinc/81/96/10/671819610.db2.gz NQCITKFVMDRJDB-UHFFFAOYSA-N -1 1 360.399 2.194 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)CC[C@H]3CCCCO3)n2)cc1 ZINC000581171097 671869733 /nfs/dbraw/zinc/86/97/33/671869733.db2.gz OKXZQEDXQOIZOK-CQSZACIVSA-N -1 1 351.428 2.213 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CC[C@H]3CCCCO3)n[n-]2)cc1 ZINC000581171097 671869735 /nfs/dbraw/zinc/86/97/35/671869735.db2.gz OKXZQEDXQOIZOK-CQSZACIVSA-N -1 1 351.428 2.213 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nc(Cl)ccc2Cl)o1 ZINC000119270714 671895534 /nfs/dbraw/zinc/89/55/34/671895534.db2.gz MMNBMUUNYDJMSQ-UHFFFAOYSA-N -1 1 365.194 2.247 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc(Cl)cc1Cl ZINC000119302035 671896018 /nfs/dbraw/zinc/89/60/18/671896018.db2.gz ZXTCZWFQCNVAMZ-UHFFFAOYSA-N -1 1 367.192 2.432 20 0 FEADMM CCS(=O)(=O)c1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000581659309 671922580 /nfs/dbraw/zinc/92/25/80/671922580.db2.gz ATLNAOHUVPPVID-UHFFFAOYSA-N -1 1 355.362 2.394 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1COc2ccccc2O1 ZINC000121561930 671952688 /nfs/dbraw/zinc/95/26/88/671952688.db2.gz LWKNNBOYIINTIK-LLVKDONJSA-N -1 1 351.156 2.328 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ncn(-c2ccccc2)n1 ZINC000121583125 671953165 /nfs/dbraw/zinc/95/31/65/671953165.db2.gz KEFYPBWBKCAUOW-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM O=S(=O)([N-]c1c(F)cccc1CO)c1c(Cl)nc2ccccn21 ZINC000122237479 671964389 /nfs/dbraw/zinc/96/43/89/671964389.db2.gz YLTFYIOJSNPBIX-UHFFFAOYSA-N -1 1 355.778 2.420 20 0 FEADMM CCC1(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 ZINC000123367904 671978767 /nfs/dbraw/zinc/97/87/67/671978767.db2.gz SPBBPJBNCBKQHN-UHFFFAOYSA-N -1 1 366.233 2.297 20 0 FEADMM O=S(=O)([N-]N=c1nccc[nH]1)c1ccc(Cl)cc1C(F)(F)F ZINC000123222529 671976993 /nfs/dbraw/zinc/97/69/93/671976993.db2.gz KLNSYBJDYIODOF-UHFFFAOYSA-N -1 1 352.725 2.454 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCNc2ccc3ccccc3n2)c1Cl ZINC000123535059 671981223 /nfs/dbraw/zinc/98/12/23/671981223.db2.gz QRQOPSXPRPOODM-UHFFFAOYSA-N -1 1 365.846 2.012 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000610390591 675968775 /nfs/dbraw/zinc/96/87/75/675968775.db2.gz SNWVADVNDQIDBV-CYBMUJFWSA-N -1 1 365.183 2.194 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@@H](CO)O1)c1sc2ccccc2c1Cl ZINC000582587640 672015821 /nfs/dbraw/zinc/01/58/21/672015821.db2.gz DDZSKYQJMVCILD-ZJUUUORDSA-N -1 1 361.872 2.373 20 0 FEADMM C[C@@H](CCO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000125854726 672017178 /nfs/dbraw/zinc/01/71/78/672017178.db2.gz WPTHSGRTPCHVNV-LBPRGKRZSA-N -1 1 366.414 2.127 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2ccc(Cl)c(Br)c2)s1 ZINC000125990632 672018926 /nfs/dbraw/zinc/01/89/26/672018926.db2.gz MGMZXMFKRAAOMN-MRVPVSSYSA-N -1 1 362.636 2.388 20 0 FEADMM COc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000126415257 672024208 /nfs/dbraw/zinc/02/42/08/672024208.db2.gz BDCJOXMDLGBWNS-QGZVFWFLSA-N -1 1 368.499 2.152 20 0 FEADMM CC(=O)c1cccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1O ZINC000582823845 672036783 /nfs/dbraw/zinc/03/67/83/672036783.db2.gz XFOMKEHYTYPPKS-UHFFFAOYSA-N -1 1 353.327 2.233 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)CCCC1 ZINC000583115865 672064703 /nfs/dbraw/zinc/06/47/03/672064703.db2.gz DSRLGSMDHIGTJX-UHFFFAOYSA-N -1 1 355.460 2.249 20 0 FEADMM C[C@H](CO)[C@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000583595754 672110055 /nfs/dbraw/zinc/11/00/55/672110055.db2.gz GSGFLZVERQRAKQ-BDAKNGLRSA-N -1 1 353.216 2.450 20 0 FEADMM O=C(CCc1nc[nH]n1)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000134136813 672120238 /nfs/dbraw/zinc/12/02/38/672120238.db2.gz UEFJTZQIRCFMOW-UHFFFAOYSA-N -1 1 362.455 2.290 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO1 ZINC000584723321 672209878 /nfs/dbraw/zinc/20/98/78/672209878.db2.gz PCNWSSRUCNIZQI-CZUORRHYSA-N -1 1 360.435 2.395 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCSC ZINC000586756937 672240138 /nfs/dbraw/zinc/24/01/38/672240138.db2.gz DTAWSVWDJMZRFF-UHFFFAOYSA-N -1 1 358.268 2.421 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)C(C)(C)O ZINC000586759998 672240679 /nfs/dbraw/zinc/24/06/79/672240679.db2.gz CGCBVLUAEYBGBF-ZETCQYMHSA-N -1 1 370.254 2.218 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cocn1 ZINC000586759242 672240701 /nfs/dbraw/zinc/24/07/01/672240701.db2.gz SJXVHMUDKSUEEV-UHFFFAOYSA-N -1 1 365.194 2.247 20 0 FEADMM Cc1sc(=O)n(CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1C ZINC000165875612 672318302 /nfs/dbraw/zinc/31/83/02/672318302.db2.gz CPTRCMDNAPAOLN-UHFFFAOYSA-N -1 1 361.375 2.082 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174035588 672357265 /nfs/dbraw/zinc/35/72/65/672357265.db2.gz SDMJACHYWOLMKZ-QMMMGPOBSA-N -1 1 361.855 2.102 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)CO2 ZINC000174774730 672363253 /nfs/dbraw/zinc/36/32/53/672363253.db2.gz BJIDLDNYIJFZNK-UHFFFAOYSA-N -1 1 350.371 2.290 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Oc1ccccc1F ZINC000176925793 672378087 /nfs/dbraw/zinc/37/80/87/672378087.db2.gz FRPYJXIBTMXGCR-SNVBAGLBSA-N -1 1 361.826 2.349 20 0 FEADMM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180279883 672412143 /nfs/dbraw/zinc/41/21/43/672412143.db2.gz UKDIMVXZDKAFJZ-SSDOTTSWSA-N -1 1 358.332 2.002 20 0 FEADMM COc1ccc(C(=O)[N-]NC(=O)CC2CCCC2)nc1Br ZINC000180328460 672412567 /nfs/dbraw/zinc/41/25/67/672412567.db2.gz YPIYOBLMYUTMOM-UHFFFAOYSA-N -1 1 356.220 2.194 20 0 FEADMM O=C([N-]CCCSCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F ZINC000180777987 672418043 /nfs/dbraw/zinc/41/80/43/672418043.db2.gz GNNTZFOFGXUALA-UHFFFAOYSA-N -1 1 374.384 2.475 20 0 FEADMM CC(Cl)(Cl)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000180880213 672419393 /nfs/dbraw/zinc/41/93/93/672419393.db2.gz DPQOSYFFSIAYIA-UHFFFAOYSA-N -1 1 367.254 2.309 20 0 FEADMM COc1ccc(NC(=O)C2(C(F)(F)F)CC2)cc1[N-]S(C)(=O)=O ZINC000586813872 672436081 /nfs/dbraw/zinc/43/60/81/672436081.db2.gz CCFICMOZWLSYBX-UHFFFAOYSA-N -1 1 352.334 2.348 20 0 FEADMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccsc1 ZINC000182471679 672446102 /nfs/dbraw/zinc/44/61/02/672446102.db2.gz XJNSUINQBVESLL-NSHDSACASA-N -1 1 362.816 2.322 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C12CCCC2 ZINC000611082737 676015669 /nfs/dbraw/zinc/01/56/69/676015669.db2.gz UUBDBDNANKOFBG-CHWSQXEVSA-N -1 1 357.428 2.082 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H]1CCCCO1 ZINC000679054367 672462878 /nfs/dbraw/zinc/46/28/78/672462878.db2.gz LVLFXNJHMSCDJP-VXGBXAGGSA-N -1 1 358.460 2.044 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cc1 ZINC000588630859 672466784 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CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000187355627 672566421 /nfs/dbraw/zinc/56/64/21/672566421.db2.gz DFHIOJLFJDVNFG-UHFFFAOYSA-N -1 1 374.871 2.351 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)c(F)cc1F ZINC000590597995 672595177 /nfs/dbraw/zinc/59/51/77/672595177.db2.gz JKVRXLSISVXTMS-UONOGXRCSA-N -1 1 363.382 2.451 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3cccc(OC)c3)[nH]c21 ZINC000611567906 676044634 /nfs/dbraw/zinc/04/46/34/676044634.db2.gz YGVCEVKHOPGMDO-UHFFFAOYSA-N -1 1 361.379 2.159 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4nccn4c3)cc2oc1=O ZINC000681027746 672622538 /nfs/dbraw/zinc/62/25/38/672622538.db2.gz PXYDMFXTDKXOSI-UHFFFAOYSA-N -1 1 358.379 2.063 20 0 FEADMM Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc([O-])c(F)c2)s1 ZINC000681039797 672624163 /nfs/dbraw/zinc/62/41/63/672624163.db2.gz WWELQEHIQHJYDI-NSHDSACASA-N -1 1 367.427 2.450 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681363100 672653207 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ZINC000743260380 673754096 /nfs/dbraw/zinc/75/40/96/673754096.db2.gz CVAOULQTURPSBF-UHFFFAOYSA-N -1 1 362.407 2.245 20 0 FEADMM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(I)c([O-])c1 ZINC000600523266 673776269 /nfs/dbraw/zinc/77/62/69/673776269.db2.gz WDSORMJGRFNMRS-GWCFXTLKSA-N -1 1 373.190 2.294 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(CCCc3ccsc3)no2)o1 ZINC000545797696 673776748 /nfs/dbraw/zinc/77/67/48/673776748.db2.gz GXZXZXKZUZSFCB-UHFFFAOYSA-N -1 1 353.425 2.475 20 0 FEADMM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(=O)n2[n-]cnc2n1 ZINC000545885166 673780461 /nfs/dbraw/zinc/78/04/61/673780461.db2.gz MQFZQNUWUDJZBE-UHFFFAOYSA-N -1 1 372.797 2.447 20 0 FEADMM CSc1ccc([O-])c(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)c1 ZINC000614582152 676182039 /nfs/dbraw/zinc/18/20/39/676182039.db2.gz NDKRETAUYJDIOJ-UHFFFAOYSA-N -1 1 360.399 2.006 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1C ZINC000614817178 676192425 /nfs/dbraw/zinc/19/24/25/676192425.db2.gz REAMOBPJSRMIRJ-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCS(=O)(=O)C2CCCC2)c1 ZINC000744789034 673810885 /nfs/dbraw/zinc/81/08/85/673810885.db2.gz DAYBIOCBEDLHSF-UHFFFAOYSA-N -1 1 368.451 2.428 20 0 FEADMM O=C(Nc1cc(F)ccc1SCC(F)F)c1cc(=O)n2[n-]cnc2n1 ZINC000546800846 673819716 /nfs/dbraw/zinc/81/97/16/673819716.db2.gz GYFXSGBSIGIAOR-UHFFFAOYSA-N -1 1 369.328 2.166 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CNc3ccccc32)o1 ZINC000601345443 673845768 /nfs/dbraw/zinc/84/57/68/673845768.db2.gz SYJHKDCJXKIIHH-GFCCVEGCSA-N -1 1 364.423 2.334 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC3CSC3)c2)n1 ZINC000601536176 673878890 /nfs/dbraw/zinc/87/88/90/673878890.db2.gz UVSLSCTYTIQILW-UHFFFAOYSA-N -1 1 360.439 2.018 20 0 FEADMM C[C@@H](C(F)(F)F)S(=O)(=O)NCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000548027421 673915979 /nfs/dbraw/zinc/91/59/79/673915979.db2.gz PUCFBXYHVOMDFK-JQWIXIFHSA-N -1 1 353.362 2.190 20 0 FEADMM Cc1ccc(I)c(OS(=O)(=O)c2c[n-]cn2)c1 ZINC000747286098 673919478 /nfs/dbraw/zinc/91/94/78/673919478.db2.gz QHMJGFHAGYWFMY-UHFFFAOYSA-N -1 1 364.164 2.090 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1 ZINC000615055435 676200622 /nfs/dbraw/zinc/20/06/22/676200622.db2.gz YNKMZWGSVPWGGT-UKRRQHHQSA-N -1 1 374.409 2.454 20 0 FEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3CCN(CC(F)(F)F)C3)c12 ZINC000566294650 675201697 /nfs/dbraw/zinc/20/16/97/675201697.db2.gz BXMWXHFOWWLPJG-VIFPVBQESA-N -1 1 374.388 2.477 20 0 FEADMM CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000615168406 676205646 /nfs/dbraw/zinc/20/56/46/676205646.db2.gz CGXZOELTNVRMOV-AWEZNQCLSA-N -1 1 362.451 2.370 20 0 FEADMM COc1ccc(CN(C)C(=O)CSc2ncc(C)c(=O)[n-]2)cc1F ZINC000566497477 675219417 /nfs/dbraw/zinc/21/94/17/675219417.db2.gz BPRLPJFNQULTTR-UHFFFAOYSA-N -1 1 351.403 2.389 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000615221294 676207614 /nfs/dbraw/zinc/20/76/14/676207614.db2.gz KWPAJRGJIWLARN-MRVPVSSYSA-N -1 1 352.753 2.208 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000615223069 676207622 /nfs/dbraw/zinc/20/76/22/676207622.db2.gz XSNGYNFYLDVRFK-QMMMGPOBSA-N -1 1 355.320 2.285 20 0 FEADMM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000567381215 675289037 /nfs/dbraw/zinc/28/90/37/675289037.db2.gz NOHOIQLVDOIVIU-UHFFFAOYSA-N -1 1 350.469 2.168 20 0 FEADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(Cl)c(Cl)c1 ZINC000819883556 675318616 /nfs/dbraw/zinc/31/86/16/675318616.db2.gz HWZMFSFLFCDAPB-LURJTMIESA-N -1 1 352.185 2.396 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(OC)[C@@H](C)c2ccccc2C)o1 ZINC000820034685 675331909 /nfs/dbraw/zinc/33/19/09/675331909.db2.gz XZWIHZXBFPQZED-LBPRGKRZSA-N -1 1 352.412 2.261 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccco1 ZINC000567927005 675336314 /nfs/dbraw/zinc/33/63/14/675336314.db2.gz XDHJIBNBOSLVGX-VIFPVBQESA-N -1 1 360.794 2.055 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000568352744 675367614 /nfs/dbraw/zinc/36/76/14/675367614.db2.gz POKYIXYMBSTGJH-GFCCVEGCSA-N -1 1 356.407 2.273 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000568352744 675367616 /nfs/dbraw/zinc/36/76/16/675367616.db2.gz POKYIXYMBSTGJH-GFCCVEGCSA-N -1 1 356.407 2.273 20 0 FEADMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000568459348 675375059 /nfs/dbraw/zinc/37/50/59/675375059.db2.gz PCWUTIIFODYFIH-UHFFFAOYSA-N -1 1 370.770 2.051 20 0 FEADMM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1cc(=O)n2[n-]cnc2n1 ZINC000568475619 675376638 /nfs/dbraw/zinc/37/66/38/675376638.db2.gz CSYHKRGBTGGHEM-CQSZACIVSA-N -1 1 361.764 2.091 20 0 FEADMM Cn1ccnc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000568593054 675384808 /nfs/dbraw/zinc/38/48/08/675384808.db2.gz YOLDIELEOKARHT-MFKMUULPSA-N -1 1 373.837 2.411 20 0 FEADMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000821139941 675418145 /nfs/dbraw/zinc/41/81/45/675418145.db2.gz JUJLPFBIXKRMIY-UHFFFAOYSA-N -1 1 353.253 2.067 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)c1 ZINC000821358074 675429766 /nfs/dbraw/zinc/42/97/66/675429766.db2.gz GFJAJDPDULONLG-PWECECGKSA-N -1 1 369.483 2.380 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000821360643 675429954 /nfs/dbraw/zinc/42/99/54/675429954.db2.gz WDTPETNCDIHLCE-ZJWNCGCPSA-N -1 1 367.467 2.183 20 0 FEADMM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C1(C)C ZINC000656952089 677884133 /nfs/dbraw/zinc/88/41/33/677884133.db2.gz BEJQPFRQAHUGMN-FBIMIBRVSA-N -1 1 363.277 2.182 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NCCOCCF)c1 ZINC000823695280 675567700 /nfs/dbraw/zinc/56/77/00/675567700.db2.gz XVEMRIQDUVLGTC-UHFFFAOYSA-N -1 1 365.327 2.281 20 0 FEADMM O=C([N-]c1cnsn1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000823853321 675574595 /nfs/dbraw/zinc/57/45/95/675574595.db2.gz ICWQPHWXZIPHDL-UHFFFAOYSA-N -1 1 359.379 2.252 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C1CCC1)c1cc(Br)c(F)cc1F ZINC000657057726 677927679 /nfs/dbraw/zinc/92/76/79/677927679.db2.gz WJTRCICEJQBBPM-NSHDSACASA-N -1 1 370.215 2.167 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)CS(C)(=O)=O)c1 ZINC000825011510 675633475 /nfs/dbraw/zinc/63/34/75/675633475.db2.gz MJRXYORDWAJRDP-JTQLQIEISA-N -1 1 352.378 2.019 20 0 FEADMM CC(C)[C@H]1CN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCS1 ZINC000826741580 675703022 /nfs/dbraw/zinc/70/30/22/675703022.db2.gz IAUFFEXWXDOBCG-DLBZAZTESA-N -1 1 362.495 2.098 20 0 FEADMM C[C@]1(c2ccccc2)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCO1 ZINC000826915075 675715250 /nfs/dbraw/zinc/71/52/50/675715250.db2.gz VXXJOHXRYLDMEX-GOSISDBHSA-N -1 1 354.435 2.406 20 0 FEADMM C[C@](O)(C1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1)C(F)(F)F ZINC000828648791 675835485 /nfs/dbraw/zinc/83/54/85/675835485.db2.gz SYTOLXYWKPEABJ-AWEZNQCLSA-N -1 1 374.388 2.184 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(F)c1 ZINC000608033244 675882484 /nfs/dbraw/zinc/88/24/84/675882484.db2.gz VGIFKKYGRZQPND-KMUNFCNLSA-N -1 1 361.410 2.455 20 0 FEADMM CCc1cc(CC)c(S(=O)(=O)NN=c2nc(OC)cc[n-]2)c(CC)c1 ZINC000829699503 675887801 /nfs/dbraw/zinc/88/78/01/675887801.db2.gz ADRHRFLJIZHGIH-UHFFFAOYSA-N -1 1 364.471 2.478 20 0 FEADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000608342357 675889068 /nfs/dbraw/zinc/88/90/68/675889068.db2.gz ITFVLWLALMHMQQ-UHFFFAOYSA-N -1 1 373.427 2.352 20 0 FEADMM CCO[C@@H](C)c1ncc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)s1 ZINC000608355718 675889420 /nfs/dbraw/zinc/88/94/20/675889420.db2.gz DMGXVEXQHKIXBU-GWCFXTLKSA-N -1 1 358.427 2.273 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cc(Cl)cc3cccnc32)n[n-]1 ZINC000615917421 676233615 /nfs/dbraw/zinc/23/36/15/676233615.db2.gz MPUKUWUJZBNZOC-UHFFFAOYSA-N -1 1 359.773 2.113 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(Cl)cc3cccnc32)n1 ZINC000615917421 676233617 /nfs/dbraw/zinc/23/36/17/676233617.db2.gz MPUKUWUJZBNZOC-UHFFFAOYSA-N -1 1 359.773 2.113 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCOC2CCCC2)o1 ZINC000617113943 676270397 /nfs/dbraw/zinc/27/03/97/676270397.db2.gz PBCNJSSPWKUKHJ-UHFFFAOYSA-N -1 1 358.460 2.045 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cscn1 ZINC000617829386 676307654 /nfs/dbraw/zinc/30/76/54/676307654.db2.gz FZOQHKYIQORMRI-SECBINFHSA-N -1 1 357.457 2.304 20 0 FEADMM COc1cc(C(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc(Cl)c1[O-] ZINC000620247858 676411624 /nfs/dbraw/zinc/41/16/24/676411624.db2.gz DUGIUGZVGJHSRU-NSHDSACASA-N -1 1 352.818 2.139 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)o1 ZINC000620276986 676412321 /nfs/dbraw/zinc/41/23/21/676412321.db2.gz GWFBNNKCSHGNOG-LBPRGKRZSA-N -1 1 372.349 2.226 20 0 FEADMM Cc1ccc(Cl)c(OCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000622611803 676502887 /nfs/dbraw/zinc/50/28/87/676502887.db2.gz LDJYRTURBUKWMU-INIZCTEOSA-N -1 1 357.801 2.446 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622612418 676502995 /nfs/dbraw/zinc/50/29/95/676502995.db2.gz WPFJATDJMTWOCB-INIZCTEOSA-N -1 1 357.801 2.310 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H](C)Cc3cccc(Cl)c3)nc2n1 ZINC000622994721 676514550 /nfs/dbraw/zinc/51/45/50/676514550.db2.gz ZOJGJZHQFQFNJG-SNVBAGLBSA-N -1 1 359.817 2.451 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(Cl)c(F)c3)nc2n1 ZINC000622998038 676514948 /nfs/dbraw/zinc/51/49/48/676514948.db2.gz VSEQYBNFDWTNEW-UHFFFAOYSA-N -1 1 363.780 2.344 20 0 FEADMM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC(F)(F)C3)c(=O)c2c(OC)c1 ZINC000626144425 676691732 /nfs/dbraw/zinc/69/17/32/676691732.db2.gz FQKCXLJYMWLVOZ-SECBINFHSA-N -1 1 352.337 2.463 20 0 FEADMM O=C(c1cccc(F)c1OC(F)(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000626237631 676698342 /nfs/dbraw/zinc/69/83/42/676698342.db2.gz AXVCZXMUXGNFRC-QMMMGPOBSA-N -1 1 359.283 2.257 20 0 FEADMM Cc1cc(Br)c(F)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000626443775 676706293 /nfs/dbraw/zinc/70/62/93/676706293.db2.gz VDHDCIUDLGAXEU-QMMMGPOBSA-N -1 1 356.199 2.285 20 0 FEADMM Cc1cc(Br)c(F)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000626443774 676706347 /nfs/dbraw/zinc/70/63/47/676706347.db2.gz VDHDCIUDLGAXEU-MRVPVSSYSA-N -1 1 356.199 2.285 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCn2c(nnc2C2CC2)C1 ZINC000677888583 679702653 /nfs/dbraw/zinc/70/26/53/679702653.db2.gz VXODBUUTCDWCBY-UHFFFAOYSA-N -1 1 363.215 2.280 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2)C1CC1 ZINC000629291497 676841566 /nfs/dbraw/zinc/84/15/66/676841566.db2.gz RLIZLRMDHSTYNW-OAHLLOKOSA-N -1 1 356.419 2.267 20 0 FEADMM Cc1ncc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)n1C ZINC000629301692 676843436 /nfs/dbraw/zinc/84/34/36/676843436.db2.gz UTJKCDZXLJJOBS-SECBINFHSA-N -1 1 355.441 2.095 20 0 FEADMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000629329399 676847151 /nfs/dbraw/zinc/84/71/51/676847151.db2.gz KOFLTQOFFVCNDJ-UHFFFAOYSA-N -1 1 351.380 2.371 20 0 FEADMM CSc1ccc(OC[C@H](O)CN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000629365798 676851908 /nfs/dbraw/zinc/85/19/08/676851908.db2.gz FYPYUDMHCVEIFG-PXAZEXFGSA-N -1 1 363.435 2.425 20 0 FEADMM Cc1nc(SCCNS(=O)(=O)c2ccccc2)[n-]c(=O)c1C1CC1 ZINC000631024078 676929767 /nfs/dbraw/zinc/92/97/67/676929767.db2.gz KWZAEQDCCCMNEJ-UHFFFAOYSA-N -1 1 365.480 2.439 20 0 FEADMM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cc(C)ns2)C1 ZINC000631865180 676960894 /nfs/dbraw/zinc/96/08/94/676960894.db2.gz BSWRNTLARRPKOX-ZDUSSCGKSA-N -1 1 367.496 2.265 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000631971925 676967697 /nfs/dbraw/zinc/96/76/97/676967697.db2.gz TVAOJINPQMXTMM-VHSXEESVSA-N -1 1 350.387 2.143 20 0 FEADMM O=C(Cc1csc(CCC(F)(F)F)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000632054311 676973291 /nfs/dbraw/zinc/97/32/91/676973291.db2.gz SSAXAODUJBQKQG-SECBINFHSA-N -1 1 374.392 2.100 20 0 FEADMM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632073863 676974261 /nfs/dbraw/zinc/97/42/61/676974261.db2.gz MPSCJGLGTPZZFW-KOLCDFICSA-N -1 1 355.382 2.158 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)sn1 ZINC000632078800 676974621 /nfs/dbraw/zinc/97/46/21/676974621.db2.gz YMVGKTZNZZPXPJ-NSHDSACASA-N -1 1 364.452 2.465 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)c1 ZINC000632102455 676975828 /nfs/dbraw/zinc/97/58/28/676975828.db2.gz IDLQDZSISLBATO-CYBMUJFWSA-N -1 1 355.437 2.225 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCN1c1cccnc1 ZINC000632203915 676981507 /nfs/dbraw/zinc/98/15/07/676981507.db2.gz ZXLXEJVXEICFQO-LLVKDONJSA-N -1 1 371.365 2.086 20 0 FEADMM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1c[nH]nc1C(F)(F)F ZINC000632205591 676981608 /nfs/dbraw/zinc/98/16/08/676981608.db2.gz QCGBVALEHRRQJF-SSDOTTSWSA-N -1 1 369.271 2.119 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)Cc2ncsc2Br)o1 ZINC000632227467 676982610 /nfs/dbraw/zinc/98/26/10/676982610.db2.gz YBIKTTJANFPTIV-UHFFFAOYSA-N -1 1 366.262 2.076 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)c(-c2ccccc2)s1 ZINC000632277171 676985212 /nfs/dbraw/zinc/98/52/12/676985212.db2.gz ILKILGBMDVHIIC-LLVKDONJSA-N -1 1 362.423 2.413 20 0 FEADMM 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ZINC000664766152 678922802 /nfs/dbraw/zinc/92/28/02/678922802.db2.gz BOZWCPZRIOYSGZ-UHFFFAOYSA-N -1 1 371.484 2.377 20 0 FEADMM Cc1ccc(Cc2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)cc1C ZINC000665014541 678937447 /nfs/dbraw/zinc/93/74/47/678937447.db2.gz KIGXXENNMMTUND-UHFFFAOYSA-N -1 1 367.471 2.122 20 0 FEADMM C[C@@H](C(=O)[N-]S(=O)(=O)CC1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000764773737 680820575 /nfs/dbraw/zinc/82/05/75/680820575.db2.gz RMKIQUVYCCIPFC-HNNXBMFYSA-N -1 1 364.511 2.186 20 0 FEADMM CO[C@@H](CC(C)C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000667986427 679134509 /nfs/dbraw/zinc/13/45/09/679134509.db2.gz VHWLMUNIXFYDDG-STQMWFEESA-N -1 1 355.801 2.259 20 0 FEADMM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000669752065 679251587 /nfs/dbraw/zinc/25/15/87/679251587.db2.gz AMZJOHMOAKQLMA-UHFFFAOYSA-N -1 1 364.210 2.207 20 0 FEADMM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000669838894 679256044 /nfs/dbraw/zinc/25/60/44/679256044.db2.gz BFVZVLSOONDQMN-VIFPVBQESA-N -1 1 354.369 2.396 20 0 FEADMM Cc1nc(C)n(C2CN(C(=O)c3ccc(Br)cc3[O-])C2)n1 ZINC000670445222 679284312 /nfs/dbraw/zinc/28/43/12/679284312.db2.gz CRTALPAOUIAXLA-UHFFFAOYSA-N -1 1 351.204 2.060 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@H](O)C(F)(F)F ZINC000670855101 679301547 /nfs/dbraw/zinc/30/15/47/679301547.db2.gz BSUFEJZCVCZGEJ-RYUDHWBXSA-N -1 1 361.332 2.332 20 0 FEADMM Cc1c2cc(Br)ccc2oc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765376102 680840646 /nfs/dbraw/zinc/84/06/46/680840646.db2.gz LXNDLASPXRPQGH-UHFFFAOYSA-N -1 1 366.171 2.283 20 0 FEADMM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-]C2(C(F)F)CCCC2)C1 ZINC000673586540 679438731 /nfs/dbraw/zinc/43/87/31/679438731.db2.gz LCXBATXGEZOSLR-UHFFFAOYSA-N -1 1 358.410 2.008 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)c(F)c1 ZINC000673588783 679438934 /nfs/dbraw/zinc/43/89/34/679438934.db2.gz MMSNCRIGPMKKRT-NSHDSACASA-N -1 1 373.352 2.395 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1cn2cccc(C)c2n1 ZINC000673843786 679450396 /nfs/dbraw/zinc/45/03/96/679450396.db2.gz NNGXADIZJGOISC-UHFFFAOYSA-N -1 1 357.439 2.141 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)c1 ZINC000676028643 679602844 /nfs/dbraw/zinc/60/28/44/679602844.db2.gz KLEXEODNXIXDOI-UHFFFAOYSA-N -1 1 364.423 2.487 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000676415596 679632552 /nfs/dbraw/zinc/63/25/52/679632552.db2.gz FAXXVSIONOCYGB-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000677123993 679655410 /nfs/dbraw/zinc/65/54/10/679655410.db2.gz MHTOTJDZBSPBBL-UHFFFAOYSA-N -1 1 351.359 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3cccc(F)c3)CCC2)co1 ZINC000830874762 679892545 /nfs/dbraw/zinc/89/25/45/679892545.db2.gz KLUWEXHHQRGRBM-UHFFFAOYSA-N -1 1 366.414 2.179 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000747616604 679892757 /nfs/dbraw/zinc/89/27/57/679892757.db2.gz GBMHUMFKIIXNJR-UHFFFAOYSA-N -1 1 355.343 2.127 20 0 FEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000748027459 679921097 /nfs/dbraw/zinc/92/10/97/679921097.db2.gz NRXUMHIDPPTSCO-SNVBAGLBSA-N -1 1 352.387 2.394 20 0 FEADMM CC[C@H]1CCCC[C@H]1OCC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831129527 679929257 /nfs/dbraw/zinc/92/92/57/679929257.db2.gz FWGZJPGZGPFEEF-QWHCGFSZSA-N -1 1 350.381 2.109 20 0 FEADMM C[C@H](CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)C(=O)c1ccccc1 ZINC000831145467 679933868 /nfs/dbraw/zinc/93/38/68/679933868.db2.gz VOHLHMWEAFTXDE-LLVKDONJSA-N -1 1 356.344 2.032 20 0 FEADMM Cc1ccc(NC2CC2)c(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831162530 679938016 /nfs/dbraw/zinc/93/80/16/679938016.db2.gz POHQNYJXYNPPNW-UHFFFAOYSA-N -1 1 355.360 2.320 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H]1CCCN(C(C)C)C1=O ZINC000748182042 679938710 /nfs/dbraw/zinc/93/87/10/679938710.db2.gz ISLCMQAKTMTPHI-OAHLLOKOSA-N -1 1 368.455 2.004 20 0 FEADMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3nc4c(s3)CCCC4)C2)cn1 ZINC000874051915 685280378 /nfs/dbraw/zinc/28/03/78/685280378.db2.gz WKGVKZNJOSIHMQ-OLZOCXBDSA-N -1 1 360.483 2.446 20 0 FEADMM O=S(=O)([N-]Cc1c(F)cccc1N1CCCC1)c1c[nH]nc1Cl ZINC000831485911 679990497 /nfs/dbraw/zinc/99/04/97/679990497.db2.gz JIBTVDFIRCGSKC-UHFFFAOYSA-N -1 1 358.826 2.281 20 0 FEADMM COCCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000748767909 679993987 /nfs/dbraw/zinc/99/39/87/679993987.db2.gz OVQBRCLYPKWSSQ-UHFFFAOYSA-N -1 1 364.423 2.104 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@H]2CO[C@@H](C)C2)c1 ZINC000831848159 680051959 /nfs/dbraw/zinc/05/19/59/680051959.db2.gz DRAQORJUFHJXGZ-GXFFZTMASA-N -1 1 359.348 2.472 20 0 FEADMM O=S(=O)([N-][C@H]([C@H](CO)C1CC1)C1CC1)c1c(Cl)ccnc1Cl ZINC000832230708 680112835 /nfs/dbraw/zinc/11/28/35/680112835.db2.gz FWKYLFALRGDWOP-PWSUYJOCSA-N -1 1 365.282 2.464 20 0 FEADMM O=C(c1occc1Cl)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021445239 680156891 /nfs/dbraw/zinc/15/68/91/680156891.db2.gz ZANIGABMTDDOOM-CMPLNLGQSA-N -1 1 361.785 2.020 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000993923407 680198302 /nfs/dbraw/zinc/19/83/02/680198302.db2.gz LFMRZIHRPZDEMV-GHMZBOCLSA-N -1 1 363.801 2.172 20 0 FEADMM Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)c4ncccc4[O-])C[C@H]32)cs1 ZINC001022159525 680200706 /nfs/dbraw/zinc/20/07/06/680200706.db2.gz WOPJVQDFKDCMQS-GXTWGEPZSA-N -1 1 357.435 2.144 20 0 FEADMM Cc1csc(C(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)c1 ZINC000993976162 680203404 /nfs/dbraw/zinc/20/34/04/680203404.db2.gz XMVVZZFAYJSXIG-CHWSQXEVSA-N -1 1 359.451 2.295 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000834297811 680209147 /nfs/dbraw/zinc/20/91/47/680209147.db2.gz FQNDPHSVOGXSEH-KXUCPTDWSA-N -1 1 368.231 2.183 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCn2c(cnc2C(F)(F)F)C1 ZINC000834319351 680212788 /nfs/dbraw/zinc/21/27/88/680212788.db2.gz AELGDBPFJJCQJJ-UHFFFAOYSA-N -1 1 373.360 2.084 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCCCCS(C)(=O)=O)c1 ZINC000834669308 680254879 /nfs/dbraw/zinc/25/48/79/680254879.db2.gz WGMWDNVIIAIPBF-UHFFFAOYSA-N -1 1 366.405 2.410 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCS[C@H](C)C1 ZINC000834684057 680256192 /nfs/dbraw/zinc/25/61/92/680256192.db2.gz PGSKESCVAHLRMC-BXUZGUMPSA-N -1 1 358.467 2.495 20 0 FEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccoc1Cl)c1ncccc1[O-] ZINC000996143262 680320718 /nfs/dbraw/zinc/32/07/18/680320718.db2.gz DHQHYFPBQGWTTL-USWWRNFRSA-N -1 1 361.785 2.209 20 0 FEADMM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000754060028 680334546 /nfs/dbraw/zinc/33/45/46/680334546.db2.gz DVODJIPGHAAUOI-GFCCVEGCSA-N -1 1 352.870 2.260 20 0 FEADMM C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)NCc1ccco1 ZINC000874244571 685333667 /nfs/dbraw/zinc/33/36/67/685333667.db2.gz MGOQWERWXHMXEZ-SECBINFHSA-N -1 1 358.291 2.471 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCN1C(=O)c1ncccc1[O-] ZINC000984444425 680354465 /nfs/dbraw/zinc/35/44/65/680354465.db2.gz UAOZGSOWBWMFRC-UONOGXRCSA-N -1 1 359.451 2.201 20 0 FEADMM CSc1nc(CNC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000912246082 685338373 /nfs/dbraw/zinc/33/83/73/685338373.db2.gz BRYODAFMGQNDHO-LBPRGKRZSA-N -1 1 373.356 2.273 20 0 FEADMM CSc1nc(CNC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000912246081 685338661 /nfs/dbraw/zinc/33/86/61/685338661.db2.gz BRYODAFMGQNDHO-GFCCVEGCSA-N -1 1 373.356 2.273 20 0 FEADMM CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000912253019 685340698 /nfs/dbraw/zinc/34/06/98/685340698.db2.gz XFMUHVILHPEFDJ-NOZJJQNGSA-N -1 1 359.781 2.418 20 0 FEADMM CSc1nc(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)cc(=O)[n-]1 ZINC000912240094 685336831 /nfs/dbraw/zinc/33/68/31/685336831.db2.gz DFWJLCCVLNVACP-JTQLQIEISA-N -1 1 366.409 2.087 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nc(C(C)(C)C)cs2)o1 ZINC000756373262 680474956 /nfs/dbraw/zinc/47/49/56/680474956.db2.gz XNAPFCFKUQSVSI-UHFFFAOYSA-N -1 1 358.441 2.299 20 0 FEADMM O=C([N-]Cc1ncn(Cc2cccc(F)c2)n1)C(F)(F)c1nccs1 ZINC000756762264 680496816 /nfs/dbraw/zinc/49/68/16/680496816.db2.gz PSDCTPISZKVAJZ-UHFFFAOYSA-N -1 1 367.356 2.330 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NC(C)(C)[C@@H](C)O)c1 ZINC000836738337 680505292 /nfs/dbraw/zinc/50/52/92/680505292.db2.gz KFIHJWNROBBPLI-SNVBAGLBSA-N -1 1 361.364 2.454 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NC[C@@H](C)CCO)c1 ZINC000836737930 680505515 /nfs/dbraw/zinc/50/55/15/680505515.db2.gz CVPCFYLCIKACBP-JTQLQIEISA-N -1 1 361.364 2.314 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CC(C)(CO)C2)c1 ZINC000836746078 680506479 /nfs/dbraw/zinc/50/64/79/680506479.db2.gz UBJAUERBACTFQC-UHFFFAOYSA-N -1 1 359.348 2.020 20 0 FEADMM O=C(/C=C\C1CC1)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000836835399 680520437 /nfs/dbraw/zinc/52/04/37/680520437.db2.gz DHNWLILDSAADHH-SUVXUSRCSA-N -1 1 360.376 2.027 20 0 FEADMM Cc1ccc(CC(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)s1 ZINC000987678177 680577497 /nfs/dbraw/zinc/57/74/97/680577497.db2.gz FAJCHOUJBFPLEB-OCCSQVGLSA-N -1 1 359.451 2.119 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O=C(NCc1cccnc1OCC(F)F)c1cnc(C2CC2)[n-]c1=O ZINC000901269488 690631649 /nfs/dbraw/zinc/63/16/49/690631649.db2.gz DXFODKNODXSFNU-UHFFFAOYSA-N -1 1 350.325 2.029 20 0 FEADMM Cc1cc(Br)c(OCC(=O)[O-])c(CN(C)[C@@H]2CCOC2)c1 ZINC000901431608 690646424 /nfs/dbraw/zinc/64/64/24/690646424.db2.gz VOOLAYXZDCUKCP-GFCCVEGCSA-N -1 1 358.232 2.442 20 0 FEADMM CO[C@]1(C(=O)[O-])CCN(Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000901544567 690656780 /nfs/dbraw/zinc/65/67/80/690656780.db2.gz XACJDRHJPVRDTQ-CQSZACIVSA-N -1 1 351.296 2.442 20 0 FEADMM CO[C@@]1(C(=O)[O-])CCN(Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000901544564 690656819 /nfs/dbraw/zinc/65/68/19/690656819.db2.gz XACJDRHJPVRDTQ-AWEZNQCLSA-N -1 1 351.296 2.442 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)ccc1SC ZINC000901742322 690687113 /nfs/dbraw/zinc/68/71/13/690687113.db2.gz UPSLWPYXKNMHCP-ZDUSSCGKSA-N -1 1 359.469 2.362 20 0 FEADMM COc1ccc([C@@H](NCc2c[nH]nc2C)C(=O)[O-])cc1Br ZINC000901828275 690698665 /nfs/dbraw/zinc/69/86/65/690698665.db2.gz LIBSREYIVGLBBS-CYBMUJFWSA-N -1 1 354.204 2.405 20 0 FEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c1 ZINC000901839601 690700862 /nfs/dbraw/zinc/70/08/62/690700862.db2.gz SBTPHRVJBPVDJR-UHFFFAOYSA-N -1 1 353.375 2.335 20 0 FEADMM COc1ccc([C@H](NCc2c3c(nn2C)CCSC3)C(=O)[O-])cc1F ZINC000901856771 690703299 /nfs/dbraw/zinc/70/32/99/690703299.db2.gz UYXGUWRTMBUPDW-INIZCTEOSA-N -1 1 365.430 2.273 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c1F ZINC000901931121 690716050 /nfs/dbraw/zinc/71/60/50/690716050.db2.gz KTEWFBUHJHQUBG-UHFFFAOYSA-N -1 1 371.365 2.474 20 0 FEADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cccc(COC(C)(C)C)c1 ZINC000901956623 690720897 /nfs/dbraw/zinc/72/08/97/690720897.db2.gz KGFXRABEXNKJRL-QFIPXVFZSA-N -1 1 363.505 2.233 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000903079135 690841721 /nfs/dbraw/zinc/84/17/21/690841721.db2.gz FNGZEGFKRSKUJJ-UHFFFAOYSA-N -1 1 360.505 2.236 20 0 FEADMM COC(=O)C1CC2(C1)CN(Cc1cc(C(F)(F)F)co1)C[C@H]2C(=O)[O-] ZINC000903417007 690891878 /nfs/dbraw/zinc/89/18/78/690891878.db2.gz SMDPJLSPFSNYAH-RHJSQNMRSA-N -1 1 361.316 2.384 20 0 FEADMM Cc1csc(C)c1S(=O)(=O)[N-]c1ccc(N2CCNC(=O)C2)cc1 ZINC000903604608 690936426 /nfs/dbraw/zinc/93/64/26/690936426.db2.gz CECMBFAAMFGTRA-UHFFFAOYSA-N -1 1 365.480 2.102 20 0 FEADMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]2C(=O)[O-] ZINC000903694913 690963887 /nfs/dbraw/zinc/96/38/87/690963887.db2.gz JMDOAYIBOPDURR-VMBJYNEYSA-N -1 1 353.802 2.131 20 0 FEADMM COCCN(CCC(=O)[O-])[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000903711902 690966016 /nfs/dbraw/zinc/96/60/16/690966016.db2.gz OQWXARXYMJNHNJ-LLVKDONJSA-N -1 1 362.348 2.456 20 0 FEADMM COc1cccc(COc2cccc(Cl)c2CNC[C@H](O)C(=O)[O-])c1 ZINC000904053363 690998683 /nfs/dbraw/zinc/99/86/83/690998683.db2.gz JXXRCRZXMSCNGP-INIZCTEOSA-N -1 1 365.813 2.463 20 0 FEADMM COc1ccc(CNCc2cnn(C)c2C(=O)[O-])cc1Br ZINC000904068983 691000312 /nfs/dbraw/zinc/00/03/12/691000312.db2.gz IZIPUMAKXBZOGG-UHFFFAOYSA-N -1 1 354.204 2.179 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000905096026 691066691 /nfs/dbraw/zinc/06/66/91/691066691.db2.gz LCPOCNAKKXCTEV-UHFFFAOYSA-N -1 1 364.399 2.350 20 0 FEADMM COc1ncc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c(C)n1 ZINC000905375372 691110552 /nfs/dbraw/zinc/11/05/52/691110552.db2.gz RUBCYAANPIDQNR-ZDUSSCGKSA-N -1 1 366.215 2.472 20 0 FEADMM O=C([O-])c1ccc(CNCc2cnc3n2CCOC3)cc1Br ZINC000905800103 691175873 /nfs/dbraw/zinc/17/58/73/691175873.db2.gz QHBXVIQGLCNWDK-UHFFFAOYSA-N -1 1 366.215 2.164 20 0 FEADMM C[S@](=O)(=NS(=O)(=O)[N-]c1cnc2c(c1)COCC2)C1CCCCC1 ZINC000906062567 691224593 /nfs/dbraw/zinc/22/45/93/691224593.db2.gz PNIWYLUIDNPRFI-HSZRJFAPSA-N -1 1 373.500 2.242 20 0 FEADMM COC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000906084729 691230118 /nfs/dbraw/zinc/23/01/18/691230118.db2.gz NRQXFBBZVIKPND-UHFFFAOYSA-N -1 1 351.147 2.004 20 0 FEADMM CCOC(=O)[C@@H](C)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000906382038 691261302 /nfs/dbraw/zinc/26/13/02/691261302.db2.gz OIKSOOMBUYJBFP-SSDOTTSWSA-N -1 1 351.147 2.004 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000906858422 691329925 /nfs/dbraw/zinc/32/99/25/691329925.db2.gz IKKXNAINSALDIS-ZDUSSCGKSA-N -1 1 370.446 2.081 20 0 FEADMM CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000907008795 691368353 /nfs/dbraw/zinc/36/83/53/691368353.db2.gz VMRCIMFNLWGBGP-GFCCVEGCSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000907061487 691383616 /nfs/dbraw/zinc/38/36/16/691383616.db2.gz CWBHSKCRTKYXQG-CYBMUJFWSA-N -1 1 370.446 2.128 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCN2C2CCCC2)ccc1Cl ZINC000907063834 691384437 /nfs/dbraw/zinc/38/44/37/691384437.db2.gz XTJLOWYEJJLKIS-LBPRGKRZSA-N -1 1 372.874 2.333 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)[C@H]2CCCO2)c1 ZINC000907199121 691420710 /nfs/dbraw/zinc/42/07/10/691420710.db2.gz WMOSABAMMHVYRX-BLLLJJGKSA-N -1 1 370.471 2.176 20 0 FEADMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cc3ccccc3s2)n1 ZINC000907266930 691436404 /nfs/dbraw/zinc/43/64/04/691436404.db2.gz ACMPEWJQULCKBK-UHFFFAOYSA-N -1 1 351.457 2.121 20 0 FEADMM COc1ccc2cc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)sc2c1 ZINC000907470536 691491484 /nfs/dbraw/zinc/49/14/84/691491484.db2.gz CIXDDHPAHVVJCA-LLVKDONJSA-N -1 1 361.452 2.353 20 0 FEADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907472797 691492315 /nfs/dbraw/zinc/49/23/15/691492315.db2.gz CVSYIVJDJHBBQR-GWCFXTLKSA-N -1 1 351.863 2.348 20 0 FEADMM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907472799 691492687 /nfs/dbraw/zinc/49/26/87/691492687.db2.gz CVSYIVJDJHBBQR-MFKMUULPSA-N -1 1 351.863 2.348 20 0 FEADMM Cc1ccc(OCCCC(=O)N2CCSC[C@H]2c2nn[n-]n2)c(C)c1 ZINC000907472850 691492744 /nfs/dbraw/zinc/49/27/44/691492744.db2.gz DJCMBERIZGCWDS-AWEZNQCLSA-N -1 1 361.471 2.292 20 0 FEADMM O=C(c1ccc(F)c(Br)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473281 691492846 /nfs/dbraw/zinc/49/28/46/691492846.db2.gz FIFRUAOOFPHLMN-JTQLQIEISA-N -1 1 372.223 2.032 20 0 FEADMM C[C@H](Cn1ccc2ccccc21)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907477650 691495639 /nfs/dbraw/zinc/49/56/39/691495639.db2.gz GMBFCFJCKZSWIG-DOMZBBRYSA-N -1 1 356.455 2.107 20 0 FEADMM O=C(c1cc2cc(Cl)sc2[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479828 691496848 /nfs/dbraw/zinc/49/68/48/691496848.db2.gz IVSUAYUVGQCPGZ-QMMMGPOBSA-N -1 1 354.848 2.326 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)c(C(F)(F)F)n1 ZINC000907659091 691535124 /nfs/dbraw/zinc/53/51/24/691535124.db2.gz PMPIDBRWMDDLEV-CBLAIPOGSA-N -1 1 355.407 2.144 20 0 FEADMM O=S(=O)([N-][C@H]1CC12CC(O)C2)c1cc(Br)sc1Cl ZINC000907789216 691560943 /nfs/dbraw/zinc/56/09/43/691560943.db2.gz XTIYZGJSKBVJCZ-JZNOSYICSA-N -1 1 372.693 2.356 20 0 FEADMM CCC[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccc(Cl)cc1 ZINC000907940636 691587311 /nfs/dbraw/zinc/58/73/11/691587311.db2.gz KIYYEMDVGIQPGH-AWEZNQCLSA-N -1 1 363.849 2.247 20 0 FEADMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)n1 ZINC000907953190 691588819 /nfs/dbraw/zinc/58/88/19/691588819.db2.gz OVJLEPFFKPWTIJ-UHFFFAOYSA-N -1 1 366.365 2.209 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC12CCOCC2)c1c(Cl)ccnc1Cl ZINC000908203142 691636617 /nfs/dbraw/zinc/63/66/17/691636617.db2.gz TVOJGWFSBUADCT-JTQLQIEISA-N -1 1 367.254 2.005 20 0 FEADMM O=C(NCCc1cccc(C(F)(F)F)n1)c1cnc(C2CC2)[n-]c1=O ZINC000908395992 691672794 /nfs/dbraw/zinc/67/27/94/691672794.db2.gz CKBIUTYYTBWTJV-UHFFFAOYSA-N -1 1 352.316 2.446 20 0 FEADMM O=C([N-][C@@H]1CCn2ccnc21)C(F)(F)c1ncccc1Br ZINC000908521022 691692879 /nfs/dbraw/zinc/69/28/79/691692879.db2.gz WEKUIVBEPSRCNO-SECBINFHSA-N -1 1 357.158 2.394 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)c1cn(C2CCOCC2)nn1 ZINC000908708534 691716394 /nfs/dbraw/zinc/71/63/94/691716394.db2.gz XJJRKNWWNMNBRM-UHFFFAOYSA-N -1 1 367.203 2.350 20 0 FEADMM O=C([O-])C1(NC(=O)NC[C@H](c2ccco2)N2CCCC2)CCSCC1 ZINC000908747232 691721649 /nfs/dbraw/zinc/72/16/49/691721649.db2.gz JDAVUEDSEDHWTI-CYBMUJFWSA-N -1 1 367.471 2.066 20 0 FEADMM CC(C)CCC[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000908771872 691727375 /nfs/dbraw/zinc/72/73/75/691727375.db2.gz SOOMTXTZXIUNAD-OAGGEKHMSA-N -1 1 357.495 2.064 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c1ccsc1 ZINC000908811989 691733828 /nfs/dbraw/zinc/73/38/28/691733828.db2.gz DCKUFXQMTZUGDZ-UONOGXRCSA-N -1 1 371.503 2.308 20 0 FEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C1CCC1 ZINC000908820747 691735335 /nfs/dbraw/zinc/73/53/35/691735335.db2.gz WMBHFDZWVUHQQE-LRDDRELGSA-N -1 1 351.422 2.466 20 0 FEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000908979938 691760991 /nfs/dbraw/zinc/76/09/91/691760991.db2.gz AQGVQZCYZVSITH-VIFPVBQESA-N -1 1 351.325 2.018 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCCCC[C@@H]2C(=O)[O-])ccc1F ZINC000908984069 691761882 /nfs/dbraw/zinc/76/18/82/691761882.db2.gz GGUAUACLOCXCOD-MRXNPFEDSA-N -1 1 351.422 2.426 20 0 FEADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000909123774 691781981 /nfs/dbraw/zinc/78/19/81/691781981.db2.gz ZHHDIQUFIMOCPV-HUUCEWRRSA-N -1 1 371.865 2.074 20 0 FEADMM O=C([O-])CCN(Cc1cccc(Br)c1)C(=O)CN1CCCC1 ZINC000909810167 691858499 /nfs/dbraw/zinc/85/84/99/691858499.db2.gz VMJREEBZERMHKZ-UHFFFAOYSA-N -1 1 369.259 2.348 20 0 FEADMM CC1(C(=O)[O-])CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000910057039 691884388 /nfs/dbraw/zinc/88/43/88/691884388.db2.gz KOGWEFSJSDGXRT-UHFFFAOYSA-N -1 1 364.199 2.386 20 0 FEADMM CCN(CC)[C@@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910146551 691894323 /nfs/dbraw/zinc/89/43/23/691894323.db2.gz JPIJPRKKCVITCN-JKSUJKDBSA-N -1 1 350.484 2.346 20 0 FEADMM O=C([O-])[C@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001465114323 804140908 /nfs/dbraw/zinc/14/09/08/804140908.db2.gz FWSGCFFXUDPPCB-NWDGAFQWSA-N -1 1 351.346 2.090 20 0 FEADMM COc1cccc([C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)N(C)C)c1 ZINC000780358280 939109275 /nfs/dbraw/zinc/10/92/75/939109275.db2.gz GCIYKQBANSFZBI-MRXNPFEDSA-N -1 1 363.458 2.385 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000007056021 210091588 /nfs/dbraw/zinc/09/15/88/210091588.db2.gz XHZYGRKMMCWHTC-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000018994866 539650725 /nfs/dbraw/zinc/65/07/25/539650725.db2.gz FQPWETRCDJPWDD-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM C[C@H](C(=O)Nc1ccc(NC(=O)c2ccccc2[O-])cc1)n1cncn1 ZINC000024706377 539739142 /nfs/dbraw/zinc/73/91/42/539739142.db2.gz LNBVPPICXIECQV-GFCCVEGCSA-N -1 1 351.366 2.436 20 0 FEADMM COCc1ccccc1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000025794926 539769779 /nfs/dbraw/zinc/76/97/79/539769779.db2.gz WINFOEPODLEHHR-UHFFFAOYSA-N -1 1 361.467 2.196 20 0 FEADMM C[C@@H]1CN(c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cn2)C[C@H](C)O1 ZINC000030040244 539873833 /nfs/dbraw/zinc/87/38/33/539873833.db2.gz WVQOACCGJAEFEN-DTORHVGOSA-N -1 1 370.335 2.084 20 0 FEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000032096870 539929337 /nfs/dbraw/zinc/92/93/37/539929337.db2.gz OSLKTVQCQDQGOI-UHFFFAOYSA-N -1 1 374.340 2.414 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)N1CCCCC1=O ZINC000800939447 674092221 /nfs/dbraw/zinc/09/22/21/674092221.db2.gz DSVLXEISWMUCDE-SECBINFHSA-N -1 1 366.270 2.068 20 0 FEADMM N=c1nc(N2CCN(C(=O)Nc3ccc4scnc4c3)CC2)s[n-]1 ZINC000531733849 540113204 /nfs/dbraw/zinc/11/32/04/540113204.db2.gz ORJQUZTZCDEUPU-UHFFFAOYSA-N -1 1 361.456 2.084 20 0 FEADMM COc1ccccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000045713232 540223517 /nfs/dbraw/zinc/22/35/17/540223517.db2.gz WAMBLQYKJMDARM-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2cccc3ccccc32)o1 ZINC000054592309 540596794 /nfs/dbraw/zinc/59/67/94/540596794.db2.gz DQUURDBRNMSUPH-UHFFFAOYSA-N -1 1 374.418 2.150 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c1 ZINC000055596665 540662305 /nfs/dbraw/zinc/66/23/05/540662305.db2.gz KKHHTWDVUSLFKW-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000055588232 540661620 /nfs/dbraw/zinc/66/16/20/540661620.db2.gz LDCYIOIUYHLCDH-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)CC3)cc2)c1 ZINC000055628798 540665048 /nfs/dbraw/zinc/66/50/48/540665048.db2.gz LFSXOFITTHDKQR-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000056141961 540706939 /nfs/dbraw/zinc/70/69/39/540706939.db2.gz ACNSTOZXFCUSCN-UHFFFAOYSA-N -1 1 372.368 2.121 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000056935129 540755613 /nfs/dbraw/zinc/75/56/13/540755613.db2.gz OIUHRWTVFOVPHU-ZDUSSCGKSA-N -1 1 352.438 2.472 20 0 FEADMM CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1Cl ZINC000057043609 540764512 /nfs/dbraw/zinc/76/45/12/540764512.db2.gz JGNJMVOYTCASRZ-UHFFFAOYSA-N -1 1 358.803 2.492 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2O)c1 ZINC000058457452 540843760 /nfs/dbraw/zinc/84/37/60/540843760.db2.gz SCRTYMMCOWGFAP-UHFFFAOYSA-N -1 1 364.423 2.381 20 0 FEADMM CCCOc1c(Br)cc(C(=O)Nc2nnn[n-]2)cc1OC ZINC000060850357 541122884 /nfs/dbraw/zinc/12/28/84/541122884.db2.gz FPGLDHWNINQIHI-UHFFFAOYSA-N -1 1 356.180 2.012 20 0 FEADMM CCCOc1c(Br)cc(C(=O)Nc2nn[n-]n2)cc1OC ZINC000060850357 541122885 /nfs/dbraw/zinc/12/28/85/541122885.db2.gz FPGLDHWNINQIHI-UHFFFAOYSA-N -1 1 356.180 2.012 20 0 FEADMM O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000066118330 541282426 /nfs/dbraw/zinc/28/24/26/541282426.db2.gz FONLZCFEOOZXEA-UHFFFAOYSA-N -1 1 363.776 2.178 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)n[n-]c1=S ZINC000066636909 541351896 /nfs/dbraw/zinc/35/18/96/541351896.db2.gz FWUYKNQAFFXHPE-CQSZACIVSA-N -1 1 373.482 2.129 20 0 FEADMM CCn1c(CCNC(=O)CCCN(C)C(=O)OC(C)(C)C)n[n-]c1=S ZINC000067077379 541414883 /nfs/dbraw/zinc/41/48/83/541414883.db2.gz VDNMGSGOTDXOBL-UHFFFAOYSA-N -1 1 371.507 2.266 20 0 FEADMM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079795 541415065 /nfs/dbraw/zinc/41/50/65/541415065.db2.gz VDKBSSCWJBCGOV-ZUZCIYMTSA-N -1 1 360.439 2.163 20 0 FEADMM COc1ccc2c(c1)OC[C@H](C(=O)NCCc1n[n-]c(=S)n1C1CC1)C2 ZINC000067078437 541415162 /nfs/dbraw/zinc/41/51/62/541415162.db2.gz IFWKOTWTYHRIPS-GFCCVEGCSA-N -1 1 374.466 2.194 20 0 FEADMM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2nnn[n-]2)c2ccccc2)cc1 ZINC000067137618 541422480 /nfs/dbraw/zinc/42/24/80/541422480.db2.gz DNXHVLLXGFLGDE-HNNXBMFYSA-N -1 1 350.382 2.008 20 0 FEADMM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2nn[n-]n2)c2ccccc2)cc1 ZINC000067137618 541422482 /nfs/dbraw/zinc/42/24/82/541422482.db2.gz DNXHVLLXGFLGDE-HNNXBMFYSA-N -1 1 350.382 2.008 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3cccc(Cl)c3Cl)ccnc1-2 ZINC000550793082 674110599 /nfs/dbraw/zinc/11/05/99/674110599.db2.gz BBYQCQSFGYTIOY-UHFFFAOYSA-N -1 1 357.222 2.449 20 0 FEADMM CC(=O)Nc1ccc(C(=O)N=c2nc(Cc3cccc(F)c3)[nH][n-]2)nc1 ZINC000543034629 541523388 /nfs/dbraw/zinc/52/33/88/541523388.db2.gz SVFAEZYGJPZPEG-UHFFFAOYSA-N -1 1 354.345 2.140 20 0 FEADMM CCn1c(C2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)n[n-]c1=S ZINC000068452742 541594630 /nfs/dbraw/zinc/59/46/30/541594630.db2.gz WTUJBSOYFXNHNF-UHFFFAOYSA-N -1 1 374.470 2.471 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccc2)n[nH]1 ZINC000068460786 541595368 /nfs/dbraw/zinc/59/53/68/541595368.db2.gz MEEMZLOLWPLLDG-HNNXBMFYSA-N -1 1 364.377 2.459 20 0 FEADMM C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426958 541590277 /nfs/dbraw/zinc/59/02/77/541590277.db2.gz DHBYMOWAYSLCBZ-GFCCVEGCSA-N -1 1 374.466 2.464 20 0 FEADMM O=S(=O)([N-]Cc1cccc(CO)c1)c1sccc1Br ZINC000071354297 541766709 /nfs/dbraw/zinc/76/67/09/541766709.db2.gz OXHCEHWNRHFDND-UHFFFAOYSA-N -1 1 362.270 2.481 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)cc1C ZINC000072628023 541840502 /nfs/dbraw/zinc/84/05/02/541840502.db2.gz NPLUPUKFDSXAPV-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM O=C(OCCOC[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801326144 674121968 /nfs/dbraw/zinc/12/19/68/674121968.db2.gz VXTVHAXPLQGZBO-CQSZACIVSA-N -1 1 350.346 2.069 20 0 FEADMM C[C@H]1CN(CCOC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCO1 ZINC000801358404 674124022 /nfs/dbraw/zinc/12/40/22/674124022.db2.gz IYSMIWFQQQPRHL-LBPRGKRZSA-N -1 1 365.817 2.109 20 0 FEADMM Cc1[nH]c2ccccc2c1CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000074162193 542045443 /nfs/dbraw/zinc/04/54/43/542045443.db2.gz YCUSYYYSEDDKQY-UHFFFAOYSA-N -1 1 363.421 2.288 20 0 FEADMM Cc1ccc(O[C@@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000074162103 542045094 /nfs/dbraw/zinc/04/50/94/542045094.db2.gz PTVBJDUAORCKJD-AWEZNQCLSA-N -1 1 354.410 2.032 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000074272627 542062416 /nfs/dbraw/zinc/06/24/16/542062416.db2.gz WXQZVHUJYHCUJT-LLVKDONJSA-N -1 1 353.378 2.431 20 0 FEADMM CN(Cc1nccs1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000074528519 542094899 /nfs/dbraw/zinc/09/48/99/542094899.db2.gz CKTYLFHDDKOUMO-UHFFFAOYSA-N -1 1 357.457 2.085 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)ccc1F ZINC000075576875 542189680 /nfs/dbraw/zinc/18/96/80/542189680.db2.gz DROWDMUEMTVIPW-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM CCOC(=O)CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000076032686 542225802 /nfs/dbraw/zinc/22/58/02/542225802.db2.gz QXVWKOMYXHUIHG-UHFFFAOYSA-N -1 1 362.451 2.482 20 0 FEADMM COc1ccc(SC)c(OC)c1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801704104 674144612 /nfs/dbraw/zinc/14/46/12/674144612.db2.gz XWMHLMNVGAJJDL-UHFFFAOYSA-N -1 1 358.423 2.333 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(OC(F)F)c1)c1cccc(F)c1F ZINC000551486311 674147107 /nfs/dbraw/zinc/14/71/07/674147107.db2.gz LEALEBBZQXCJOH-UHFFFAOYSA-N -1 1 350.293 2.440 20 0 FEADMM C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000077383527 542375315 /nfs/dbraw/zinc/37/53/15/542375315.db2.gz XDIUKLWDIBHFBR-QWRGUYRKSA-N -1 1 364.464 2.054 20 0 FEADMM O=C(NCCCOC[C@@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000077617311 542403517 /nfs/dbraw/zinc/40/35/17/542403517.db2.gz GEXKFIAXIDIDHP-NSHDSACASA-N -1 1 358.232 2.328 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1 ZINC000077704893 542409589 /nfs/dbraw/zinc/40/95/89/542409589.db2.gz CLOKTDFJOONFRA-UHFFFAOYSA-N -1 1 358.423 2.042 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)c1ccc2ccccc2n1 ZINC000077998845 542436851 /nfs/dbraw/zinc/43/68/51/542436851.db2.gz BPBIWOSFGMPDRW-UHFFFAOYSA-N -1 1 361.405 2.393 20 0 FEADMM Cc1nc(-c2ccc(NCCN(C)CC(F)(F)F)nc2)[n-]c(=O)c1C ZINC000078250173 542448943 /nfs/dbraw/zinc/44/89/43/542448943.db2.gz VUSDEEQDUCERAO-UHFFFAOYSA-N -1 1 355.364 2.355 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc(C)c1F ZINC000078235734 542448975 /nfs/dbraw/zinc/44/89/75/542448975.db2.gz PIKHXCISDRRDSD-UHFFFAOYSA-N -1 1 352.387 2.107 20 0 FEADMM O=C(NCCc1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000079095292 542499368 /nfs/dbraw/zinc/49/93/68/542499368.db2.gz VUPSJSFYJTZWMV-UHFFFAOYSA-N -1 1 359.332 2.497 20 0 FEADMM CCCC(=O)N[C@@H]1CCCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C1 ZINC000101679695 543041310 /nfs/dbraw/zinc/04/13/10/543041310.db2.gz UDLIVSRIZKBRLA-CYBMUJFWSA-N -1 1 356.426 2.165 20 0 FEADMM CCCC(=O)N[C@@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000101679695 543041314 /nfs/dbraw/zinc/04/13/14/543041314.db2.gz UDLIVSRIZKBRLA-CYBMUJFWSA-N -1 1 356.426 2.165 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cc1Cl ZINC000102632512 543075397 /nfs/dbraw/zinc/07/53/97/543075397.db2.gz TXNMPUOSJIYHMJ-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CC(C)c1nc(C(=O)Nc2nn[n-]n2)nn1-c1c(Cl)cccc1Cl ZINC000103520532 543114004 /nfs/dbraw/zinc/11/40/04/543114004.db2.gz RWHDUSIGWXKQJD-UHFFFAOYSA-N -1 1 367.200 2.463 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c(F)c1 ZINC000105387041 543172786 /nfs/dbraw/zinc/17/27/86/543172786.db2.gz COZSSWDPJKZPLM-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM COC(=O)C1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000106892744 543253756 /nfs/dbraw/zinc/25/37/56/543253756.db2.gz YSELDVSTULKEFX-UHFFFAOYSA-N -1 1 351.346 2.114 20 0 FEADMM COc1cc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000551987617 674179172 /nfs/dbraw/zinc/17/91/72/674179172.db2.gz OCCCIWAYBXATFI-GHMZBOCLSA-N -1 1 371.459 2.144 20 0 FEADMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000552113540 674188451 /nfs/dbraw/zinc/18/84/51/674188451.db2.gz IOBOREPPNXMBMY-BXUZGUMPSA-N -1 1 362.854 2.451 20 0 FEADMM COCc1cnc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)s1 ZINC000802642571 674189446 /nfs/dbraw/zinc/18/94/46/674189446.db2.gz BQXAMGBBWGNZDG-UHFFFAOYSA-N -1 1 357.457 2.282 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccccc1SCc1cn2ccccc2n1 ZINC000118685411 543655447 /nfs/dbraw/zinc/65/54/47/543655447.db2.gz SMUWXWBVPOTOKJ-UHFFFAOYSA-N -1 1 351.395 2.392 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccccc1SCc1cn2ccccc2n1 ZINC000118685411 543655452 /nfs/dbraw/zinc/65/54/52/543655452.db2.gz SMUWXWBVPOTOKJ-UHFFFAOYSA-N -1 1 351.395 2.392 20 0 FEADMM COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnn[n-]2)c1 ZINC000118685561 543655918 /nfs/dbraw/zinc/65/59/18/543655918.db2.gz OLOLEQIXPZKBHH-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nn[n-]n2)c1 ZINC000118685561 543655920 /nfs/dbraw/zinc/65/59/20/543655920.db2.gz OLOLEQIXPZKBHH-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000123950461 543792560 /nfs/dbraw/zinc/79/25/60/543792560.db2.gz CFJUFVCKJCIBFK-LLVKDONJSA-N -1 1 368.445 2.278 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1O)c1nn[n-]n1 ZINC000124574755 543830193 /nfs/dbraw/zinc/83/01/93/543830193.db2.gz UQXCRINXSFATME-CYBMUJFWSA-N -1 1 367.409 2.360 20 0 FEADMM C[C@H]1CC(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](C)O1 ZINC000126475439 543937891 /nfs/dbraw/zinc/93/78/91/543937891.db2.gz WNZUWCKKWFABPW-QWRGUYRKSA-N -1 1 358.460 2.042 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)[nH]n1 ZINC000126536569 543942529 /nfs/dbraw/zinc/94/25/29/543942529.db2.gz DXTZPUNIUMHUKT-LLVKDONJSA-N -1 1 362.455 2.461 20 0 FEADMM CN(C(=O)c1cc2ccccc2cc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000126943411 543964447 /nfs/dbraw/zinc/96/44/47/543964447.db2.gz FFLNCNUQMBQZJP-UHFFFAOYSA-N -1 1 362.451 2.041 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc(F)cc3F)[nH]c21 ZINC000128643390 544064672 /nfs/dbraw/zinc/06/46/72/544064672.db2.gz PVDPZPWZWQEZNN-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)cc1 ZINC000128731989 544069336 /nfs/dbraw/zinc/06/93/36/544069336.db2.gz DHEZKTPRXGUEMV-UHFFFAOYSA-N -1 1 372.443 2.226 20 0 FEADMM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000130041369 544136697 /nfs/dbraw/zinc/13/66/97/544136697.db2.gz JPOQRPWHIOANTN-GFCCVEGCSA-N -1 1 353.216 2.038 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2N(C)S(C)(=O)=O)c1 ZINC000130273898 544145279 /nfs/dbraw/zinc/14/52/79/544145279.db2.gz FDWDXHWGNABFCU-UHFFFAOYSA-N -1 1 368.480 2.446 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N(C)S(C)(=O)=O)ccc1F ZINC000130317479 544146620 /nfs/dbraw/zinc/14/66/20/544146620.db2.gz HPICJMQACXVJMP-UHFFFAOYSA-N -1 1 372.443 2.331 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c1 ZINC000131793296 544206668 /nfs/dbraw/zinc/20/66/68/544206668.db2.gz OGMYVBBZWILXCX-UHFFFAOYSA-N -1 1 351.366 2.398 20 0 FEADMM CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000132835177 544245480 /nfs/dbraw/zinc/24/54/80/544245480.db2.gz MRJVRVQQRRSXQU-UHFFFAOYSA-N -1 1 370.833 2.360 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(C(=O)c3ccccc3)CC1)c2=O ZINC000132555886 544235567 /nfs/dbraw/zinc/23/55/67/544235567.db2.gz VTGQKHBVRLANQU-UHFFFAOYSA-N -1 1 364.405 2.409 20 0 FEADMM Cc1ccc2cccc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)c2n1 ZINC000133645534 544278087 /nfs/dbraw/zinc/27/80/87/544278087.db2.gz ABINJQXFFFMPDO-UHFFFAOYSA-N -1 1 361.405 2.426 20 0 FEADMM CCOc1cc(C(=O)NCCc2nnc3n2CCCC3)cc(Cl)c1[O-] ZINC000134081574 544293804 /nfs/dbraw/zinc/29/38/04/544293804.db2.gz USCZBQHNVMGITR-UHFFFAOYSA-N -1 1 364.833 2.345 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)ccc1F ZINC000135321803 544341907 /nfs/dbraw/zinc/34/19/07/544341907.db2.gz KLYCELKYQYOOHD-QHCPKHFHSA-N -1 1 370.427 2.322 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]1CN1CCOCC1 ZINC000137296884 544388297 /nfs/dbraw/zinc/38/82/97/544388297.db2.gz ZCOCUEIQJANRGC-CYBMUJFWSA-N -1 1 369.259 2.092 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nn[n-]n1 ZINC000136626295 544375357 /nfs/dbraw/zinc/37/53/57/544375357.db2.gz PCTIMLVTGDDRNR-AWEZNQCLSA-N -1 1 351.414 2.145 20 0 FEADMM CC(C)(C)CCNC(=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000150783639 544470855 /nfs/dbraw/zinc/47/08/55/544470855.db2.gz QOVMSPRHGVZYMB-UHFFFAOYSA-N -1 1 370.519 2.254 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(C)c(C)s2)o1 ZINC000152208045 544625591 /nfs/dbraw/zinc/62/55/91/544625591.db2.gz JMQVYFFPAAJDFG-UHFFFAOYSA-N -1 1 358.441 2.051 20 0 FEADMM C[C@@H](CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C(=O)c1ccc(Cl)cc1 ZINC000152574286 544669292 /nfs/dbraw/zinc/66/92/92/544669292.db2.gz LCWHBILRBOXSSN-WCQYABFASA-N -1 1 361.833 2.468 20 0 FEADMM CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000152906540 544709525 /nfs/dbraw/zinc/70/95/25/544709525.db2.gz KSRLWFMLXXQAOW-GWCFXTLKSA-N -1 1 364.464 2.054 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2nnc(-c3ccccc3Cl)o2)n[n-]1 ZINC000153156763 544740305 /nfs/dbraw/zinc/74/03/05/544740305.db2.gz YPBDVAQLDXWPKL-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM O=C(NC1CC1)c1ccc(CN(C(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000153538409 544788956 /nfs/dbraw/zinc/78/89/56/544788956.db2.gz RLCDZBXINYNRKH-UHFFFAOYSA-N -1 1 351.406 2.484 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)co1 ZINC000154914394 544965184 /nfs/dbraw/zinc/96/51/84/544965184.db2.gz PJBCYTYWTWDLHO-MRVPVSSYSA-N -1 1 360.794 2.471 20 0 FEADMM CN1CCN(C[C@@H](N=c2nc(C(F)(F)F)[n-]s2)c2ccccc2)CC1 ZINC000553037990 674235297 /nfs/dbraw/zinc/23/52/97/674235297.db2.gz OCTVIXQUVNEMPM-CYBMUJFWSA-N -1 1 371.432 2.379 20 0 FEADMM O=C(CCNC(=O)c1ccc(Br)c([O-])c1)Nc1ccncc1 ZINC000179146272 327627979 /nfs/dbraw/zinc/62/79/79/327627979.db2.gz UAOKGDYGJFYSOT-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000181910025 327752273 /nfs/dbraw/zinc/75/22/73/327752273.db2.gz JTWPQZOURNLYIR-CYBMUJFWSA-N -1 1 363.414 2.233 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CC(C)(C)OC2(C)C)c(=O)[n-]1 ZINC000183100906 327801662 /nfs/dbraw/zinc/80/16/62/327801662.db2.gz VPBOOCGRVAMAPJ-GFCCVEGCSA-N -1 1 353.488 2.195 20 0 FEADMM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000183840157 327838661 /nfs/dbraw/zinc/83/86/61/327838661.db2.gz SSBPRCDLYBVRPD-CYBMUJFWSA-N -1 1 357.410 2.117 20 0 FEADMM O=C(NCCc1nnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000184124680 327852343 /nfs/dbraw/zinc/85/23/43/327852343.db2.gz LJXSFCUMAIQQFQ-UHFFFAOYSA-N -1 1 365.231 2.055 20 0 FEADMM Cc1nccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)n1 ZINC000184950440 327891447 /nfs/dbraw/zinc/89/14/47/327891447.db2.gz KRXKGVRQOMXEOJ-UHFFFAOYSA-N -1 1 366.343 2.472 20 0 FEADMM Cc1cc(S(=O)(=O)N(CCN(C)C)Cc2ccco2)sc1C(=O)[O-] ZINC000185052017 327896725 /nfs/dbraw/zinc/89/67/25/327896725.db2.gz ITICLHUOSNOECC-UHFFFAOYSA-N -1 1 372.468 2.100 20 0 FEADMM Cc1cc2c(ncnc2N2CCN(C(=O)c3ncccc3[O-])CC2)s1 ZINC000187109212 328002722 /nfs/dbraw/zinc/00/27/22/328002722.db2.gz KYZNDNQGEYWPDL-UHFFFAOYSA-N -1 1 355.423 2.063 20 0 FEADMM C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187273832 328012421 /nfs/dbraw/zinc/01/24/21/328012421.db2.gz HRXFYQWMERBPDJ-RXMQYKEDSA-N -1 1 363.060 2.415 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000187475079 328028327 /nfs/dbraw/zinc/02/83/27/328028327.db2.gz WHWPTKZKHMDEGR-OAHLLOKOSA-N -1 1 372.446 2.255 20 0 FEADMM NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188000743 328059431 /nfs/dbraw/zinc/05/94/31/328059431.db2.gz UAHAKLGWIOIYEY-SFYZADRCSA-N -1 1 369.245 2.455 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)n1 ZINC000188093568 328065344 /nfs/dbraw/zinc/06/53/44/328065344.db2.gz VBTNEXFZWXLAAH-UHFFFAOYSA-N -1 1 373.417 2.275 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000188097476 328065488 /nfs/dbraw/zinc/06/54/88/328065488.db2.gz YOXDHEHGMAWXQD-AWEZNQCLSA-N -1 1 372.494 2.067 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(CNC(C)=O)s2)n1 ZINC000188121485 328067578 /nfs/dbraw/zinc/06/75/78/328067578.db2.gz NYOBPVUNJLJCKK-UHFFFAOYSA-N -1 1 351.453 2.005 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCN(C(=O)N2CCCC2)CC1 ZINC000188358214 328082629 /nfs/dbraw/zinc/08/26/29/328082629.db2.gz DEKZNMJMWGSQJD-UHFFFAOYSA-N -1 1 352.822 2.307 20 0 FEADMM CC(=O)N[C@@H](C(=O)Nc1nc(Br)ccc1[O-])C1CCCC1 ZINC000188339258 328081701 /nfs/dbraw/zinc/08/17/01/328081701.db2.gz ZCZSSUQRFPOIKE-GFCCVEGCSA-N -1 1 356.220 2.183 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1CO ZINC000189502355 328151928 /nfs/dbraw/zinc/15/19/28/328151928.db2.gz PLZJGVLYQJPZRR-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM CCc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)c([O-])c1 ZINC000190568605 328216886 /nfs/dbraw/zinc/21/68/86/328216886.db2.gz PWKYLALQXUEJAW-UHFFFAOYSA-N -1 1 360.435 2.066 20 0 FEADMM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000190614836 328219731 /nfs/dbraw/zinc/21/97/31/328219731.db2.gz MGGIZPZBDDVZIR-DLBZAZTESA-N -1 1 374.462 2.377 20 0 FEADMM CCOC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190718590 328227382 /nfs/dbraw/zinc/22/73/82/328227382.db2.gz ASCJYRSJRYLALJ-UHFFFAOYSA-N -1 1 374.615 2.083 20 0 FEADMM O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000191312524 328259529 /nfs/dbraw/zinc/25/95/29/328259529.db2.gz BPVFMRSBVJUYRV-PBHICJAKSA-N -1 1 374.462 2.378 20 0 FEADMM CC(=O)Nc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000193212151 328362786 /nfs/dbraw/zinc/36/27/86/328362786.db2.gz YOCXOXLBHFWRCG-UHFFFAOYSA-N -1 1 356.426 2.264 20 0 FEADMM O=C(NCCCCCO)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000193263605 328366038 /nfs/dbraw/zinc/36/60/38/328366038.db2.gz AULXDIFZUIQHBO-UHFFFAOYSA-N -1 1 362.451 2.380 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000230887728 328487199 /nfs/dbraw/zinc/48/71/99/328487199.db2.gz XDYDPFGTCYFNKR-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM CSC[C@@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230895483 328487523 /nfs/dbraw/zinc/48/75/23/328487523.db2.gz WEBOKDIVOMUXIC-SSDOTTSWSA-N -1 1 351.209 2.478 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c(C)s1 ZINC000055594376 324781825 /nfs/dbraw/zinc/78/18/25/324781825.db2.gz GGKAMXAOGUCLLX-UHFFFAOYSA-N -1 1 354.453 2.420 20 0 FEADMM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084936891 325247125 /nfs/dbraw/zinc/24/71/25/325247125.db2.gz UIVDDQBHZNUMGI-UHFFFAOYSA-N -1 1 358.419 2.370 20 0 FEADMM COc1cccc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000091160818 325376174 /nfs/dbraw/zinc/37/61/74/325376174.db2.gz LWRBZJKWDUUMLB-UHFFFAOYSA-N -1 1 352.387 2.387 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCc2ccc(Cl)cc2)n1 ZINC000096640428 325455916 /nfs/dbraw/zinc/45/59/16/325455916.db2.gz ORHNBSSUJZLMBG-UHFFFAOYSA-N -1 1 351.859 2.437 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2nnc(C(F)F)s2)c1 ZINC000108786771 325651016 /nfs/dbraw/zinc/65/10/16/325651016.db2.gz JULKDDRHBVLRDR-UHFFFAOYSA-N -1 1 362.383 2.408 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccccc3N3CCCC3)cc21 ZINC000116601179 326026629 /nfs/dbraw/zinc/02/66/29/326026629.db2.gz RICRTOPCMQIMAF-UHFFFAOYSA-N -1 1 371.462 2.374 20 0 FEADMM CS[C@@H]1CCC[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000117317629 326057217 /nfs/dbraw/zinc/05/72/17/326057217.db2.gz HYSHDYABWVMYMF-HUUCEWRRSA-N -1 1 372.494 2.473 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C)[C@H]1C ZINC000118374925 326089769 /nfs/dbraw/zinc/08/97/69/326089769.db2.gz AHSMKBDMVSHGNJ-CHWSQXEVSA-N -1 1 358.467 2.035 20 0 FEADMM CC(C)(CO)[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000119023249 326119197 /nfs/dbraw/zinc/11/91/97/326119197.db2.gz KHGFVHSIALZKRG-MRXNPFEDSA-N -1 1 365.433 2.455 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCN(c3ccc(F)cc3)CC1)c2=O ZINC000119168365 326133797 /nfs/dbraw/zinc/13/37/97/326133797.db2.gz LLUZWABEHUMLFD-UHFFFAOYSA-N -1 1 369.400 2.166 20 0 FEADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc[nH]c(=O)c1 ZINC000119323382 326149688 /nfs/dbraw/zinc/14/96/88/326149688.db2.gz BPDMUGXGLPZKKK-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120831771 326291515 /nfs/dbraw/zinc/29/15/15/326291515.db2.gz VKTTVBZJUZSMLK-YUMQZZPRSA-N -1 1 372.231 2.413 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1F ZINC000121042421 326308780 /nfs/dbraw/zinc/30/87/80/326308780.db2.gz JKEWBUNSKONGRX-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccco2)C2CCCC2)co1 ZINC000122091063 326383569 /nfs/dbraw/zinc/38/35/69/326383569.db2.gz FXGOSBRROMWOCR-UHFFFAOYSA-N -1 1 352.412 2.366 20 0 FEADMM O=C(NCCCOC[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000125592653 326474443 /nfs/dbraw/zinc/47/44/43/326474443.db2.gz KZKPFQOMWHIKNK-LLVKDONJSA-N -1 1 358.232 2.328 20 0 FEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2cc(Cl)sc2Cl)n1 ZINC000126614504 326492105 /nfs/dbraw/zinc/49/21/05/326492105.db2.gz YPTGESKRLSGPCE-UHFFFAOYSA-N -1 1 356.212 2.235 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC[C@H](C)O)c1 ZINC000127733777 326511607 /nfs/dbraw/zinc/51/16/07/326511607.db2.gz NPQGGUZRCHYCBA-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CSCCCNC(=O)c1cc(I)ccc1[O-] ZINC000128080778 326517704 /nfs/dbraw/zinc/51/77/04/326517704.db2.gz FPBDPISWUINCLP-UHFFFAOYSA-N -1 1 351.209 2.480 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000150819389 326668798 /nfs/dbraw/zinc/66/87/98/326668798.db2.gz QQEZIXQGXJXJSL-UHFFFAOYSA-N -1 1 374.404 2.278 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000152548973 326710216 /nfs/dbraw/zinc/71/02/16/326710216.db2.gz CCGMUTUKCULTPS-KGLIPLIRSA-N -1 1 365.499 2.197 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)c1 ZINC000152765145 326715951 /nfs/dbraw/zinc/71/59/51/326715951.db2.gz FHRBMKBWWHQFRD-UHFFFAOYSA-N -1 1 372.468 2.341 20 0 FEADMM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000154097518 326751098 /nfs/dbraw/zinc/75/10/98/326751098.db2.gz IJAFKAYRIPOCPX-CMPLNLGQSA-N -1 1 355.232 2.319 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000156958084 326849840 /nfs/dbraw/zinc/84/98/40/326849840.db2.gz SEHZDEKXVKKNKT-SFHVURJKSA-N -1 1 359.451 2.188 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1cccc(F)c1F ZINC000157444526 326865730 /nfs/dbraw/zinc/86/57/30/326865730.db2.gz UISUHBHRXPGGCZ-SNVBAGLBSA-N -1 1 357.357 2.056 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)co1 ZINC000157809702 326876024 /nfs/dbraw/zinc/87/60/24/326876024.db2.gz DMIAJSPAOPYVDK-UHFFFAOYSA-N -1 1 363.439 2.430 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)[nH]n1 ZINC000162944768 327038464 /nfs/dbraw/zinc/03/84/64/327038464.db2.gz QLNHJSSWHHJVDS-LLVKDONJSA-N -1 1 361.431 2.090 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)o1 ZINC000171332414 327132669 /nfs/dbraw/zinc/13/26/69/327132669.db2.gz SRRSAOYAUDGSLD-KRWDZBQOSA-N -1 1 371.418 2.102 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1ccnc1)c1cccc(F)c1F ZINC000171417605 327138235 /nfs/dbraw/zinc/13/82/35/327138235.db2.gz DLCHSTBZFCFUEW-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(NC(=O)c2cncc([O-])c2)c1)n1cccn1 ZINC000171863146 327166358 /nfs/dbraw/zinc/16/63/58/327166358.db2.gz VGTRSWHXWSWMRI-LBPRGKRZSA-N -1 1 351.366 2.436 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1 ZINC000172882116 327224567 /nfs/dbraw/zinc/22/45/67/327224567.db2.gz VLILGOHEXLSDFD-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000172885242 327224834 /nfs/dbraw/zinc/22/48/34/327224834.db2.gz YQGYJCATCFDAQI-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM CN(C)C(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000173343112 327250931 /nfs/dbraw/zinc/25/09/31/327250931.db2.gz BUCMEZQEMPZHMW-UHFFFAOYSA-N -1 1 368.405 2.188 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)o1 ZINC000174225286 327313972 /nfs/dbraw/zinc/31/39/72/327313972.db2.gz HPDNDSBYNAKCQJ-HIFRSBDPSA-N -1 1 362.451 2.454 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C12CCCC2 ZINC000174582205 327336378 /nfs/dbraw/zinc/33/63/78/327336378.db2.gz SCXGFBBPDJAPLP-HOTGVXAUSA-N -1 1 372.469 2.036 20 0 FEADMM Cc1ccc2nc(CNC(=O)c3cc(C)ccc3[N-]S(C)(=O)=O)[nH]c2c1 ZINC000174893073 327358851 /nfs/dbraw/zinc/35/88/51/327358851.db2.gz LCALRFFEGQRAQV-UHFFFAOYSA-N -1 1 372.450 2.481 20 0 FEADMM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000175839206 327417033 /nfs/dbraw/zinc/41/70/33/327417033.db2.gz VSCTYIDQSKEVMF-IINYFYTJSA-N -1 1 352.412 2.120 20 0 FEADMM CC[C@@H](Oc1ccccc1F)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000177857618 327549236 /nfs/dbraw/zinc/54/92/36/327549236.db2.gz YXGUNAIRMRBGPB-OAHLLOKOSA-N -1 1 372.400 2.252 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000261716817 328814086 /nfs/dbraw/zinc/81/40/86/328814086.db2.gz QEGNHXILKVOUNA-AWEZNQCLSA-N -1 1 354.435 2.070 20 0 FEADMM O=C([O-])C1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000262669118 328880015 /nfs/dbraw/zinc/88/00/15/328880015.db2.gz QWKRQEZSTALWLY-AWEZNQCLSA-N -1 1 372.343 2.487 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000264268678 329006216 /nfs/dbraw/zinc/00/62/16/329006216.db2.gz WEVWDJCVBOUMPS-CYBMUJFWSA-N -1 1 352.438 2.444 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cc1C ZINC000265627333 329144139 /nfs/dbraw/zinc/14/41/39/329144139.db2.gz ZQGLBUZASTYFIO-UHFFFAOYSA-N -1 1 363.439 2.210 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2c(C)nn(CC)c2C)cc1C(=O)[O-] ZINC000266061924 329186425 /nfs/dbraw/zinc/18/64/25/329186425.db2.gz VKERYDZLVDVKDU-UHFFFAOYSA-N -1 1 367.427 2.418 20 0 FEADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000266601311 329240635 /nfs/dbraw/zinc/24/06/35/329240635.db2.gz VMVHHISFQXNBEW-CYBMUJFWSA-N -1 1 373.840 2.356 20 0 FEADMM O=c1nc(COC2CCCC2)[n-]c2sc3c(c21)CCS(=O)(=O)C3 ZINC000266628831 329243458 /nfs/dbraw/zinc/24/34/58/329243458.db2.gz RZWQEDBYBSWFAH-UHFFFAOYSA-N -1 1 354.453 2.327 20 0 FEADMM CCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000266822871 329263235 /nfs/dbraw/zinc/26/32/35/329263235.db2.gz ZVCNRLWKGWZCKD-UHFFFAOYSA-N -1 1 366.395 2.227 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000266941872 329275276 /nfs/dbraw/zinc/27/52/76/329275276.db2.gz CJIJUSWIZZADFN-UHFFFAOYSA-N -1 1 360.439 2.232 20 0 FEADMM CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000266957738 329276537 /nfs/dbraw/zinc/27/65/37/329276537.db2.gz IZNUXBATHGLBSC-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM COCc1cc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)ccc1F ZINC000266980229 329279308 /nfs/dbraw/zinc/27/93/08/329279308.db2.gz FNHVTIWLEACLNT-UHFFFAOYSA-N -1 1 351.403 2.428 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1ccco1 ZINC000267076399 329289278 /nfs/dbraw/zinc/28/92/78/329289278.db2.gz RLXNPRFUSYMVOB-NSHDSACASA-N -1 1 361.217 2.103 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(CC(F)F)c1ccccc1 ZINC000267276429 329309784 /nfs/dbraw/zinc/30/97/84/329309784.db2.gz UHXQBZKRZHPHJT-UHFFFAOYSA-N -1 1 360.364 2.480 20 0 FEADMM CCC[C@H](NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nn[n-]n1 ZINC000267737218 329353680 /nfs/dbraw/zinc/35/36/80/329353680.db2.gz YDFURESRDBFVGO-JTQLQIEISA-N -1 1 372.410 2.323 20 0 FEADMM CC(C)C[C@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)N1CCCCC1=O ZINC000268012290 329376678 /nfs/dbraw/zinc/37/66/78/329376678.db2.gz AZFUNYHPECADKG-CQSZACIVSA-N -1 1 356.430 2.232 20 0 FEADMM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)NCc1ccco1 ZINC000270225183 329583559 /nfs/dbraw/zinc/58/35/59/329583559.db2.gz NYYWOCCWTUNDAM-SECBINFHSA-N -1 1 358.291 2.471 20 0 FEADMM CCC[C@]1(C)NC(=O)N(c2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1=O ZINC000272079636 329750389 /nfs/dbraw/zinc/75/03/89/329750389.db2.gz LKYMISLBDGISMC-INIZCTEOSA-N -1 1 369.443 2.072 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc4c(cc3C)OCO4)cc21 ZINC000272588235 329794456 /nfs/dbraw/zinc/79/44/56/329794456.db2.gz CDDJVMGCTFFZKY-UHFFFAOYSA-N -1 1 374.418 2.434 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cn1 ZINC000273175767 329843015 /nfs/dbraw/zinc/84/30/15/329843015.db2.gz LEBZFVUXCREDEH-JTQLQIEISA-N -1 1 363.395 2.001 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cn1 ZINC000273383295 329860274 /nfs/dbraw/zinc/86/02/74/329860274.db2.gz GEWIZYGKIHPQRV-UHFFFAOYSA-N -1 1 363.439 2.291 20 0 FEADMM CCOCc1ccc(-c2noc(-c3coc(S(=O)(=O)[N-]C)c3)n2)cc1 ZINC000273677096 329883503 /nfs/dbraw/zinc/88/35/03/329883503.db2.gz CFYVBNXXWZSBJK-UHFFFAOYSA-N -1 1 363.395 2.441 20 0 FEADMM CC[C@]1(CO)CCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000275906741 330102418 /nfs/dbraw/zinc/10/24/18/330102418.db2.gz QRQVAPUQECQWJW-HXUWFJFHSA-N -1 1 370.453 2.249 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000294186995 330191121 /nfs/dbraw/zinc/19/11/21/330191121.db2.gz NMQJDOZAPZNOEC-RBZFPXEDSA-N -1 1 370.453 2.153 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000625328950 676639767 /nfs/dbraw/zinc/63/97/67/676639767.db2.gz ZZYGUMKKFFJNFN-VIFPVBQESA-N -1 1 355.363 2.035 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1cccnc1C(F)(F)F ZINC000554688656 674330296 /nfs/dbraw/zinc/33/02/96/674330296.db2.gz USTLXYFESDDIIJ-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM CCN(CCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)CCC(F)(F)F ZINC000626761319 676721181 /nfs/dbraw/zinc/72/11/81/676721181.db2.gz RNSCCTAAQOWETJ-RYUDHWBXSA-N -1 1 353.385 2.013 20 0 FEADMM O=C(c1ccnc(OCc2ccccc2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155599778 545547459 /nfs/dbraw/zinc/54/74/59/545547459.db2.gz FBEGBXPWSFECIF-INIZCTEOSA-N -1 1 364.409 2.194 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)c3ccnc(C4CC4)n3)[n-][nH]2)c(OC)c1 ZINC000482254425 538622316 /nfs/dbraw/zinc/62/23/16/538622316.db2.gz BQCDQIWJIMBNCP-UHFFFAOYSA-N -1 1 366.381 2.409 20 0 FEADMM COc1cc(C(=O)N=c2ccc([O-])n[nH]2)cc(OC)c1Br ZINC000484451478 538782233 /nfs/dbraw/zinc/78/22/33/538782233.db2.gz JKTSYPBOIZEMEV-UHFFFAOYSA-N -1 1 354.160 2.214 20 0 FEADMM COc1cc(C(=O)N=c2ccc(O)n[n-]2)cc(OC)c1Br ZINC000484451478 538782236 /nfs/dbraw/zinc/78/22/36/538782236.db2.gz JKTSYPBOIZEMEV-UHFFFAOYSA-N -1 1 354.160 2.214 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3nnc(C4CC4)n3C3CC3)cnc2n1 ZINC000156527459 545633125 /nfs/dbraw/zinc/63/31/25/545633125.db2.gz ZCOGSTHMRXDETJ-UHFFFAOYSA-N -1 1 364.409 2.378 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1nnc(C3CC3)n1C1CC1)c2=O ZINC000156527459 545633128 /nfs/dbraw/zinc/63/31/28/545633128.db2.gz ZCOGSTHMRXDETJ-UHFFFAOYSA-N -1 1 364.409 2.378 20 0 FEADMM CN(C)Cc1ccc(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1F ZINC000477383275 561143595 /nfs/dbraw/zinc/14/35/95/561143595.db2.gz HAPTZWGPGPUWRH-UHFFFAOYSA-N -1 1 370.384 2.161 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000477405823 561144150 /nfs/dbraw/zinc/14/41/50/561144150.db2.gz MRNAHYSVEDQJTH-UHFFFAOYSA-N -1 1 365.432 2.020 20 0 FEADMM CCc1nnc([C@@H](C)S(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)o1 ZINC000478027982 561158520 /nfs/dbraw/zinc/15/85/20/561158520.db2.gz YSDPHDVKXWVNHR-SNVBAGLBSA-N -1 1 353.448 2.408 20 0 FEADMM COc1ccc2c(c1)[nH]cc(C(=O)N[C@H]1CCN(c3ccccn3)C1)c2=O ZINC000159014909 545914343 /nfs/dbraw/zinc/91/43/43/545914343.db2.gz UBRBNPMMUCIBST-ZDUSSCGKSA-N -1 1 364.405 2.353 20 0 FEADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479165794 561183258 /nfs/dbraw/zinc/18/32/58/561183258.db2.gz TWRODQWEXORLBG-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)o1 ZINC000479162851 561183337 /nfs/dbraw/zinc/18/33/37/561183337.db2.gz MTKYZLVWMPSLDG-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](COC)c2ccc(CC)o2)o1 ZINC000479196114 561184247 /nfs/dbraw/zinc/18/42/47/561184247.db2.gz RPCJTNGKZYFZCG-GFCCVEGCSA-N -1 1 371.411 2.278 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 ZINC000172489463 546254587 /nfs/dbraw/zinc/25/45/87/546254587.db2.gz MMANFEGKPWBNPB-AWEZNQCLSA-N -1 1 358.419 2.001 20 0 FEADMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479483650 561190312 /nfs/dbraw/zinc/19/03/12/561190312.db2.gz XWZBNIGBVHNYKV-UHFFFAOYSA-N -1 1 372.435 2.288 20 0 FEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(COC)c2)c1 ZINC000172561846 546258500 /nfs/dbraw/zinc/25/85/00/546258500.db2.gz GQJOBICQXUBIPW-UHFFFAOYSA-N -1 1 373.438 2.307 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000175862534 546364131 /nfs/dbraw/zinc/36/41/31/546364131.db2.gz RGOYFSXOUHEDTR-UONOGXRCSA-N -1 1 352.456 2.407 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000480205597 561204977 /nfs/dbraw/zinc/20/49/77/561204977.db2.gz XECFLKHCSOFENM-UHFFFAOYSA-N -1 1 368.223 2.432 20 0 FEADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncc([O-])c1 ZINC000176434496 546445086 /nfs/dbraw/zinc/44/50/86/546445086.db2.gz IMFXWXVXCYAEOB-AWEZNQCLSA-N -1 1 370.327 2.318 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2ccccc2C)c2c1CCC2)c1nn[n-]n1 ZINC000176750154 546483277 /nfs/dbraw/zinc/48/32/77/546483277.db2.gz CCHWPUUYPBFAHY-AWEZNQCLSA-N -1 1 365.441 2.454 20 0 FEADMM CCS[C@H]1CCC[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000176756271 546483966 /nfs/dbraw/zinc/48/39/66/546483966.db2.gz VGBKCMNTJVFAMK-KGLIPLIRSA-N -1 1 362.499 2.362 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)N(C)c2ccccc2)o1 ZINC000177354257 546599995 /nfs/dbraw/zinc/59/99/95/546599995.db2.gz WZYBZLDQEFFVFO-CYBMUJFWSA-N -1 1 366.439 2.260 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC)C2(CC)CC)o1 ZINC000480874733 561219110 /nfs/dbraw/zinc/21/91/10/561219110.db2.gz YQJXYIRGSORFMY-CHWSQXEVSA-N -1 1 359.444 2.328 20 0 FEADMM C[C@@H](O)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000177427679 546615137 /nfs/dbraw/zinc/61/51/37/546615137.db2.gz XFDBPEOVJUVBTP-GFCCVEGCSA-N -1 1 366.414 2.079 20 0 FEADMM Cc1c(C)n(Cc2ccco2)c2ncnc(NCCCc3nc(=O)[n-][nH]3)c12 ZINC000177546749 546641328 /nfs/dbraw/zinc/64/13/28/546641328.db2.gz LNLYPLQLXJRPGX-UHFFFAOYSA-N -1 1 367.413 2.146 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177979668 546716742 /nfs/dbraw/zinc/71/67/42/546716742.db2.gz DUBZKBSPVYCIBI-UHFFFAOYSA-N -1 1 364.405 2.340 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)c1 ZINC000178037098 546727033 /nfs/dbraw/zinc/72/70/33/546727033.db2.gz CUXWBFWQMZNISK-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccccc32)co1 ZINC000179198284 546913253 /nfs/dbraw/zinc/91/32/53/546913253.db2.gz AADKWAVVUOACHI-LBPRGKRZSA-N -1 1 352.437 2.155 20 0 FEADMM CC(C)(CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000179429355 546952787 /nfs/dbraw/zinc/95/27/87/546952787.db2.gz ADYFTOIMZGHALP-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)C12CCCC2 ZINC000179513996 546970100 /nfs/dbraw/zinc/97/01/00/546970100.db2.gz VSNMYDZKZDOMAX-LSDHHAIUSA-N -1 1 358.442 2.484 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000179533915 546972181 /nfs/dbraw/zinc/97/21/81/546972181.db2.gz XXVIEWFPENYFJD-UHFFFAOYSA-N -1 1 366.349 2.400 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000179539857 546973222 /nfs/dbraw/zinc/97/32/22/546973222.db2.gz ZECLXDBOFUNUQS-UHFFFAOYSA-N -1 1 357.391 2.083 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(Cl)cc2)c1 ZINC000179541222 546974016 /nfs/dbraw/zinc/97/40/16/546974016.db2.gz KYFNOIUPMKDEQY-UHFFFAOYSA-N -1 1 354.815 2.264 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cccnc2)c2ccc(Cl)cc2)no1 ZINC000179987781 547036497 /nfs/dbraw/zinc/03/64/97/547036497.db2.gz LCCMZNXMSGNNSB-AWEZNQCLSA-N -1 1 364.814 2.494 20 0 FEADMM C[C@@H](O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000181072450 547244642 /nfs/dbraw/zinc/24/46/42/547244642.db2.gz ZHWVSEITJKAVJF-ZBFHGGJFSA-N -1 1 374.462 2.330 20 0 FEADMM CN(CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)Cc1ccc(F)cc1 ZINC000483118026 561267906 /nfs/dbraw/zinc/26/79/06/561267906.db2.gz JUSWUENDWHDHKI-UHFFFAOYSA-N -1 1 370.384 2.031 20 0 FEADMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000483240112 561271642 /nfs/dbraw/zinc/27/16/42/561271642.db2.gz NKJUZJGSGUNSLA-UHFFFAOYSA-N -1 1 368.220 2.482 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1)c2=O ZINC000181902651 547401049 /nfs/dbraw/zinc/40/10/49/547401049.db2.gz HCOVKEVPVNNTEW-HOTGVXAUSA-N -1 1 352.394 2.324 20 0 FEADMM Cc1ccc(C[C@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000181902190 547401566 /nfs/dbraw/zinc/40/15/66/547401566.db2.gz KBEFDTKISIOXKR-ZDUSSCGKSA-N -1 1 352.438 2.443 20 0 FEADMM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cnc3n(C)[n-]cc-3c2=O)C1 ZINC000182074248 547433511 /nfs/dbraw/zinc/43/35/11/547433511.db2.gz BISMDPKOQRIVDR-LBPRGKRZSA-N -1 1 351.410 2.407 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c2=O ZINC000182128007 547442438 /nfs/dbraw/zinc/44/24/38/547442438.db2.gz HQPSIKYKVUPUOQ-BXUZGUMPSA-N -1 1 372.450 2.464 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)co1 ZINC000183010561 547587435 /nfs/dbraw/zinc/58/74/35/547587435.db2.gz ZJHRBEAXFBZDGC-VIFPVBQESA-N -1 1 356.366 2.285 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc2ccc(Br)cc2[nH]1)c1nn[n-]n1 ZINC000183395118 547649117 /nfs/dbraw/zinc/64/91/17/547649117.db2.gz OCKACVOVIGGZFV-QMMMGPOBSA-N -1 1 363.219 2.319 20 0 FEADMM COc1cc(C=CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc(Cl)c1OC ZINC000183402375 547651576 /nfs/dbraw/zinc/65/15/76/547651576.db2.gz SFXOSAIEHVPHGC-BRAIEQGRSA-N -1 1 365.821 2.146 20 0 FEADMM C[C@@H](CN(C)C(=O)CCCc1ncc(-c2ccccc2)o1)c1nn[n-]n1 ZINC000183411762 547654480 /nfs/dbraw/zinc/65/44/80/547654480.db2.gz SIMMWBBVMLBORF-ZDUSSCGKSA-N -1 1 354.414 2.440 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1nn[n-]n1 ZINC000183443593 547659944 /nfs/dbraw/zinc/65/99/44/547659944.db2.gz RUJIWGLJMMLYBG-MRVPVSSYSA-N -1 1 368.319 2.455 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(CO)C3)cc2)cc1C ZINC000184228432 547791756 /nfs/dbraw/zinc/79/17/56/547791756.db2.gz QIQTUSMAHZAIPI-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000184915804 547898718 /nfs/dbraw/zinc/89/87/18/547898718.db2.gz PANBLENVILGXFL-JSGCOSHPSA-N -1 1 368.499 2.400 20 0 FEADMM C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184958510 547907469 /nfs/dbraw/zinc/90/74/69/547907469.db2.gz GQFYCRXNBTUSTB-SDDRHHMPSA-N -1 1 360.501 2.091 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc(C(=O)[O-])c1F ZINC000184965678 547908441 /nfs/dbraw/zinc/90/84/41/547908441.db2.gz VRJJSKVWHYXCKO-ZDUSSCGKSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000185058955 547925584 /nfs/dbraw/zinc/92/55/84/547925584.db2.gz ZRUZDIQKJNXQGR-OLZOCXBDSA-N -1 1 372.874 2.204 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000185103840 547934303 /nfs/dbraw/zinc/93/43/03/547934303.db2.gz FOSBTMBVCOIABN-CABZTGNLSA-N -1 1 372.874 2.250 20 0 FEADMM COc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C)c1F)OCC(=O)N2 ZINC000485394612 561318081 /nfs/dbraw/zinc/31/80/81/561318081.db2.gz JBQNUQYAOSLYLW-UHFFFAOYSA-N -1 1 366.370 2.274 20 0 FEADMM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000485394204 561318097 /nfs/dbraw/zinc/31/80/97/561318097.db2.gz GGDASCUCWOLPLL-UHFFFAOYSA-N -1 1 364.210 2.299 20 0 FEADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cnn2C)c1 ZINC000485409122 561318636 /nfs/dbraw/zinc/31/86/36/561318636.db2.gz RAHHSFILGGEKQT-UHFFFAOYSA-N -1 1 363.226 2.486 20 0 FEADMM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)C2)cn1 ZINC000185766619 548033216 /nfs/dbraw/zinc/03/32/16/548033216.db2.gz DIDTZSDHODWOLI-LLVKDONJSA-N -1 1 372.853 2.160 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(OCCOC)cc1Cl)c1nn[n-]n1 ZINC000186046505 548077832 /nfs/dbraw/zinc/07/78/32/548077832.db2.gz MVDYOBXBYNTPMW-CYBMUJFWSA-N -1 1 353.810 2.150 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1C ZINC000485888965 561331220 /nfs/dbraw/zinc/33/12/20/561331220.db2.gz MTMRJODSOJXFHB-UHFFFAOYSA-N -1 1 373.434 2.273 20 0 FEADMM CC(=O)N1CCN(Cc2ccccc2NC(=O)c2ccc([O-])cc2F)CC1 ZINC000186624633 548161297 /nfs/dbraw/zinc/16/12/97/548161297.db2.gz WYZQIBAXTDFCMQ-UHFFFAOYSA-N -1 1 371.412 2.448 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccnn1CC(C)C ZINC000486425900 561346707 /nfs/dbraw/zinc/34/67/07/561346707.db2.gz LCDMHGOUFPSMSG-UHFFFAOYSA-N -1 1 366.425 2.174 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1 ZINC000486548569 561350360 /nfs/dbraw/zinc/35/03/60/561350360.db2.gz LPTRTBIGWJBFSU-UHFFFAOYSA-N -1 1 362.386 2.486 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000194610953 548504417 /nfs/dbraw/zinc/50/44/17/548504417.db2.gz YIBYJSTYDZFILE-UHFFFAOYSA-N -1 1 356.407 2.132 20 0 FEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)NC)cc3)cc21 ZINC000194689549 548516124 /nfs/dbraw/zinc/51/61/24/548516124.db2.gz BOEDHVZGGCKPBL-UHFFFAOYSA-N -1 1 358.423 2.217 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1nc(C(C)(C)C)no1 ZINC000194789234 548531815 /nfs/dbraw/zinc/53/18/15/548531815.db2.gz NLZYRENCCOMDOJ-MRVPVSSYSA-N -1 1 367.456 2.411 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000486847964 561358021 /nfs/dbraw/zinc/35/80/21/561358021.db2.gz URPKNUJWCYKGBC-UHFFFAOYSA-N -1 1 361.365 2.005 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195171544 548589704 /nfs/dbraw/zinc/58/97/04/548589704.db2.gz FSKMWBXLJXBIDG-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195171544 548589709 /nfs/dbraw/zinc/58/97/09/548589709.db2.gz FSKMWBXLJXBIDG-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195171544 548589713 /nfs/dbraw/zinc/58/97/13/548589713.db2.gz FSKMWBXLJXBIDG-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)cc1 ZINC000195450124 548642254 /nfs/dbraw/zinc/64/22/54/548642254.db2.gz OLEQOPWFBWXKRA-UHFFFAOYSA-N -1 1 358.379 2.496 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCOC1CCCC1 ZINC000195483015 548648308 /nfs/dbraw/zinc/64/83/08/548648308.db2.gz MKCFEYWUGQLVEQ-UHFFFAOYSA-N -1 1 370.453 2.148 20 0 FEADMM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000487079687 561363065 /nfs/dbraw/zinc/36/30/65/561363065.db2.gz CREQSMVJKRYTSK-CYBMUJFWSA-N -1 1 370.254 2.240 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396307 549124193 /nfs/dbraw/zinc/12/41/93/549124193.db2.gz OTRGQAUIJKGSMV-GDLCADMTSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396307 549124197 /nfs/dbraw/zinc/12/41/97/549124197.db2.gz OTRGQAUIJKGSMV-GDLCADMTSA-N -1 1 374.832 2.265 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000246744967 549201007 /nfs/dbraw/zinc/20/10/07/549201007.db2.gz WXXMQGVQHCLKEP-FQOARCPFSA-N -1 1 369.430 2.462 20 0 FEADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n[nH]1 ZINC000489206437 561405635 /nfs/dbraw/zinc/40/56/35/561405635.db2.gz PHSRRAYNCAKOKF-NXEZZACHSA-N -1 1 356.386 2.153 20 0 FEADMM CCOC(=O)c1sc2[n-]c([C@H](C)[N@H+](CC)CCCO)nc(=O)c2c1C ZINC000489383924 561409612 /nfs/dbraw/zinc/40/96/12/561409612.db2.gz BMKIQOUIAKISCG-NSHDSACASA-N -1 1 367.471 2.235 20 0 FEADMM Cc1c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cnn1C ZINC000489499019 561412915 /nfs/dbraw/zinc/41/29/15/561412915.db2.gz PXJVVHXMGRUSIB-LBPRGKRZSA-N -1 1 351.325 2.450 20 0 FEADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1)C(F)(F)F ZINC000489823781 561419689 /nfs/dbraw/zinc/41/96/89/561419689.db2.gz CRKQWJORADNUQR-PELKAZGASA-N -1 1 368.377 2.432 20 0 FEADMM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1=O ZINC000490293778 561430392 /nfs/dbraw/zinc/43/03/92/561430392.db2.gz OCXYZTVEPHOXBJ-UHFFFAOYSA-N -1 1 364.373 2.295 20 0 FEADMM CCC[C@H](N[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1)C(=O)[O-] ZINC000262316882 549809970 /nfs/dbraw/zinc/80/99/70/549809970.db2.gz URDHOKSEPMJJLW-BBRMVZONSA-N -1 1 363.458 2.339 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])n[nH]2)cc1 ZINC000263060761 549874817 /nfs/dbraw/zinc/87/48/17/549874817.db2.gz SQJFOFHDMXXOQY-QEORTHHSSA-N -1 1 355.394 2.411 20 0 FEADMM COc1cc(CN2CC[C@@H](Nc3cccc(C(=O)[O-])n3)C2)cc(OC)c1 ZINC000263376350 549898745 /nfs/dbraw/zinc/89/87/45/549898745.db2.gz BKVYSXOMLCSEPH-CQSZACIVSA-N -1 1 357.410 2.483 20 0 FEADMM CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263494316 549905236 /nfs/dbraw/zinc/90/52/36/549905236.db2.gz SGZDOEWSQNQCKI-ZWKOTPCHSA-N -1 1 361.486 2.444 20 0 FEADMM O=C(NCCc1cccs1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000263704840 549922818 /nfs/dbraw/zinc/92/28/18/549922818.db2.gz PEYRRMOGYVNZTH-UHFFFAOYSA-N -1 1 359.451 2.060 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1 ZINC000263857699 549946669 /nfs/dbraw/zinc/94/66/69/549946669.db2.gz QZWBZWDNYHXXHP-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCCc2cccc(O)c21 ZINC000490895939 561439949 /nfs/dbraw/zinc/43/99/49/561439949.db2.gz DKTFTPFAEUEKLH-LBPRGKRZSA-N -1 1 364.405 2.366 20 0 FEADMM CSC[C@H]1CCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000269206028 550167649 /nfs/dbraw/zinc/16/76/49/550167649.db2.gz ZSFYNUCCJYXLHL-CQSZACIVSA-N -1 1 358.467 2.449 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC(C)(C)O2)o1 ZINC000492939546 561453564 /nfs/dbraw/zinc/45/35/64/561453564.db2.gz ZXDVLEZMECYSHB-LLVKDONJSA-N -1 1 358.460 2.044 20 0 FEADMM CC[C@H](SC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000269610314 550210531 /nfs/dbraw/zinc/21/05/31/550210531.db2.gz PELUDMKIBPTIGJ-AWEZNQCLSA-N -1 1 358.485 2.257 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1)c1ccco1 ZINC000269747290 550222586 /nfs/dbraw/zinc/22/25/86/550222586.db2.gz RNBNSGOFHMJLIM-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cncc(-c2nncn2C)c1 ZINC000269898857 550234588 /nfs/dbraw/zinc/23/45/88/550234588.db2.gz FEROGTBYFPWQMX-UHFFFAOYSA-N -1 1 367.413 2.231 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@@H](O)C(F)(F)F ZINC000270875518 550316224 /nfs/dbraw/zinc/31/62/24/550316224.db2.gz UTPGUVYRKZKFPZ-PSASIEDQSA-N -1 1 351.268 2.084 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@@H]2CSC)ccc1[N-]S(C)(=O)=O ZINC000494185836 561464078 /nfs/dbraw/zinc/46/40/78/561464078.db2.gz NGFAPGJDFYNIMC-GFCCVEGCSA-N -1 1 373.500 2.426 20 0 FEADMM O=C(CN1CCN(CCc2cccs2)CC1)[N-]OCc1ccccc1 ZINC000271436141 550375078 /nfs/dbraw/zinc/37/50/78/550375078.db2.gz CAEWSIYMKIBCQT-UHFFFAOYSA-N -1 1 359.495 2.156 20 0 FEADMM COc1ccc(NC(=O)N2CCC(C)(OC)CC2)cc1[N-]S(C)(=O)=O ZINC000271760863 550400031 /nfs/dbraw/zinc/40/00/31/550400031.db2.gz BAFQQAOAUMCJNA-UHFFFAOYSA-N -1 1 371.459 2.100 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1nc(C2CC2)no1 ZINC000272180931 550427239 /nfs/dbraw/zinc/42/72/39/550427239.db2.gz IVWPADSLILYDMS-AWEZNQCLSA-N -1 1 365.411 2.351 20 0 FEADMM CC(C)(CO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000272332056 550438501 /nfs/dbraw/zinc/43/85/01/550438501.db2.gz LRJZNCNVNUFQBL-UHFFFAOYSA-N -1 1 350.293 2.004 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000272479959 550451891 /nfs/dbraw/zinc/45/18/91/550451891.db2.gz MZDLSQNNQRQJRF-DOTOQJQBSA-N -1 1 370.453 2.105 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc(C(=O)[O-])c1Cl ZINC000273759166 550510314 /nfs/dbraw/zinc/51/03/14/550510314.db2.gz QMLRLQQAGZVKFI-IINYFYTJSA-N -1 1 372.874 2.108 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1OC ZINC000274218584 550528381 /nfs/dbraw/zinc/52/83/81/550528381.db2.gz QTRASTODVUAAHO-UHFFFAOYSA-N -1 1 356.379 2.029 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)[n-]1 ZINC000274917384 550564656 /nfs/dbraw/zinc/56/46/56/550564656.db2.gz LYOLGNYJEHTVGG-VIFPVBQESA-N -1 1 365.411 2.291 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)n1 ZINC000274917384 550564658 /nfs/dbraw/zinc/56/46/58/550564658.db2.gz LYOLGNYJEHTVGG-VIFPVBQESA-N -1 1 365.411 2.291 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000276812263 550598565 /nfs/dbraw/zinc/59/85/65/550598565.db2.gz ZZUPRLBIACKHFT-HNNXBMFYSA-N -1 1 372.469 2.180 20 0 FEADMM CCOc1cc(-c2nc([C@H]3CCS(=O)(=O)C3)no2)cc(Cl)c1[O-] ZINC000276995530 550619653 /nfs/dbraw/zinc/61/96/53/550619653.db2.gz YJUHNMNFLKRKCE-QMMMGPOBSA-N -1 1 358.803 2.396 20 0 FEADMM Cc1noc(C[C@@H]([N-]S(=O)(=O)c2c(C)noc2C)c2ccccc2)n1 ZINC000277038530 550625027 /nfs/dbraw/zinc/62/50/27/550625027.db2.gz OVSCYIPOITYJQY-CQSZACIVSA-N -1 1 362.411 2.245 20 0 FEADMM CCOC(=O)c1csc(C2CCN(C(=O)c3cncc([O-])c3)CC2)n1 ZINC000277356303 550660260 /nfs/dbraw/zinc/66/02/60/550660260.db2.gz ULJYVLWLADFEQV-UHFFFAOYSA-N -1 1 361.423 2.440 20 0 FEADMM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)NN1CC(=O)[N-]C1=O ZINC000277684244 550700977 /nfs/dbraw/zinc/70/09/77/550700977.db2.gz IZGJTYCVBMKXLB-UHFFFAOYSA-N -1 1 370.413 2.067 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C=Cc3ccccc3)CC2)n1 ZINC000277685283 550701298 /nfs/dbraw/zinc/70/12/98/550701298.db2.gz KUULMLRYUWUCIP-CMDGGOBGSA-N -1 1 354.410 2.401 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)CC[C@H]2C)cc(Cl)c1[O-] ZINC000277732841 550707739 /nfs/dbraw/zinc/70/77/39/550707739.db2.gz JUJAPPHOUXKTRP-SNVBAGLBSA-N -1 1 361.847 2.094 20 0 FEADMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000278238668 550764169 /nfs/dbraw/zinc/76/41/69/550764169.db2.gz LEEWTUGAOBQENW-SFHVURJKSA-N -1 1 368.437 2.296 20 0 FEADMM C[C@@H]1COCC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000278434013 550785415 /nfs/dbraw/zinc/78/54/15/550785415.db2.gz HAIBPZRNHOFZKI-LDYMZIIASA-N -1 1 361.179 2.152 20 0 FEADMM CCOCc1ccc(CNC(=O)CSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000278740494 550816534 /nfs/dbraw/zinc/81/65/34/550816534.db2.gz VLJKLUPLWMFEGL-UHFFFAOYSA-N -1 1 363.439 2.141 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279732743 550922482 /nfs/dbraw/zinc/92/24/82/550922482.db2.gz JMAWIYFRWKCDOG-XAEJFWIOSA-N -1 1 363.458 2.197 20 0 FEADMM Cc1cc(C2CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC2)n[nH]1 ZINC000279800208 550930402 /nfs/dbraw/zinc/93/04/02/550930402.db2.gz SQEFUPHFBLEHIJ-ZDUSSCGKSA-N -1 1 360.380 2.127 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000280176550 550968214 /nfs/dbraw/zinc/96/82/14/550968214.db2.gz VJMZCIWSNHMYEO-SJKOYZFVSA-N -1 1 368.437 2.121 20 0 FEADMM COCCN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000280556721 551007420 /nfs/dbraw/zinc/00/74/20/551007420.db2.gz JWLFLVIYDNONGL-JTQLQIEISA-N -1 1 371.261 2.132 20 0 FEADMM O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000280711815 551023906 /nfs/dbraw/zinc/02/39/06/551023906.db2.gz GHCPEQHDMGOSJF-UHFFFAOYSA-N -1 1 354.406 2.088 20 0 FEADMM Cc1cccc([C@H](CNC(=O)C(=O)c2ccc([O-])cc2)N2CCOCC2)c1 ZINC000280762900 551029650 /nfs/dbraw/zinc/02/96/50/551029650.db2.gz LRLLRQINQLLGPZ-IBGZPJMESA-N -1 1 368.433 2.073 20 0 FEADMM C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccn1 ZINC000280985236 551051975 /nfs/dbraw/zinc/05/19/75/551051975.db2.gz KJOKYYYLSDWFLW-NSHDSACASA-N -1 1 358.364 2.243 20 0 FEADMM CC(C)C(=O)NCCN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000281149658 551068461 /nfs/dbraw/zinc/06/84/61/551068461.db2.gz ZSVVXCGJSJHDFJ-UHFFFAOYSA-N -1 1 352.818 2.356 20 0 FEADMM COCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000281425768 551096037 /nfs/dbraw/zinc/09/60/37/551096037.db2.gz REZZVHQZOMSTKG-QMMMGPOBSA-N -1 1 361.769 2.035 20 0 FEADMM COc1ccc(NC(=O)Nc2ccn(C(C)C)n2)cc1[N-]S(C)(=O)=O ZINC000281575900 551115345 /nfs/dbraw/zinc/11/53/45/551115345.db2.gz ZHLRIKOKFMCTOJ-UHFFFAOYSA-N -1 1 367.431 2.488 20 0 FEADMM Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282879758 551281154 /nfs/dbraw/zinc/28/11/54/551281154.db2.gz JIWOCIBEYXCEQW-ZDUSSCGKSA-N -1 1 353.382 2.081 20 0 FEADMM O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282883684 551281428 /nfs/dbraw/zinc/28/14/28/551281428.db2.gz JVLBIXGVKHYVOS-LBPRGKRZSA-N -1 1 355.423 2.241 20 0 FEADMM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282883657 551281492 /nfs/dbraw/zinc/28/14/92/551281492.db2.gz JVBYFLDYPLPMPS-SNVBAGLBSA-N -1 1 355.225 2.354 20 0 FEADMM Cc1cncc(CCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000497710207 561506835 /nfs/dbraw/zinc/50/68/35/561506835.db2.gz FSSLFGLENNYIPB-UHFFFAOYSA-N -1 1 351.403 2.472 20 0 FEADMM CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2cncc([O-])c2)ccc1F ZINC000284211272 551505072 /nfs/dbraw/zinc/50/50/72/551505072.db2.gz CQPAHBOQVPVLBX-UHFFFAOYSA-N -1 1 367.402 2.255 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1ccc(F)c(C)c1 ZINC000284457000 551552956 /nfs/dbraw/zinc/55/29/56/551552956.db2.gz XMOGZJBKZRGFLB-LLVKDONJSA-N -1 1 357.325 2.220 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(F)c([C@@H](C)O)c3)cc12 ZINC000285130545 551709049 /nfs/dbraw/zinc/70/90/49/551709049.db2.gz QCKVEVFWDBOOIQ-SNVBAGLBSA-N -1 1 364.402 2.270 20 0 FEADMM O=C([O-])NCC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000285591341 551779686 /nfs/dbraw/zinc/77/96/86/551779686.db2.gz HVPBSVAENHRTOF-UHFFFAOYSA-N -1 1 359.348 2.007 20 0 FEADMM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000286615497 551906467 /nfs/dbraw/zinc/90/64/67/551906467.db2.gz CBMHCDRPKMWGJE-AAEUAGOBSA-N -1 1 358.360 2.346 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)ccnc1-2 ZINC000287177699 551973342 /nfs/dbraw/zinc/97/33/42/551973342.db2.gz NIAYGHOKCZEEHL-CNGOPUHISA-N -1 1 365.437 2.147 20 0 FEADMM C[C@@H]1CN(c2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)C[C@H](C)O1 ZINC000287564252 552019566 /nfs/dbraw/zinc/01/95/66/552019566.db2.gz KKIXCPCFKXIKRH-BETUJISGSA-N -1 1 355.394 2.222 20 0 FEADMM CCCN(CC1CCCCC1)C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287568188 552020331 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CCOC(=O)[C@H](F)C1CN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000293851625 552862373 /nfs/dbraw/zinc/86/23/73/552862373.db2.gz FYMRMQQYALCQHR-CYBMUJFWSA-N -1 1 359.781 2.418 20 0 FEADMM CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cc1 ZINC000293881941 552865101 /nfs/dbraw/zinc/86/51/01/552865101.db2.gz MBFBBKQITBWUSZ-QMTHXVAHSA-N -1 1 371.359 2.317 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)c1 ZINC000501802412 561605751 /nfs/dbraw/zinc/60/57/51/561605751.db2.gz BWFJFPHKBOLUJY-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)c1 ZINC000501855578 561606671 /nfs/dbraw/zinc/60/66/71/561606671.db2.gz HVIPEGSNDJYKPB-UHFFFAOYSA-N -1 1 363.391 2.451 20 0 FEADMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295268934 552979136 /nfs/dbraw/zinc/97/91/36/552979136.db2.gz OIXQRLCZLHPWES-HNNXBMFYSA-N -1 1 354.435 2.404 20 0 FEADMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)ccc([O-])c1F ZINC000295469040 553011896 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O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1F ZINC000298824753 553477584 /nfs/dbraw/zinc/47/75/84/553477584.db2.gz RAFJOAIZJOKKST-SECBINFHSA-N -1 1 358.332 2.127 20 0 FEADMM CCOCCCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000298941484 553492910 /nfs/dbraw/zinc/49/29/10/553492910.db2.gz JTCGBOYXJMJWPP-UHFFFAOYSA-N -1 1 359.448 2.005 20 0 FEADMM CCc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298943652 553493123 /nfs/dbraw/zinc/49/31/23/553493123.db2.gz NKJYDKKPDPFNPY-ZDUSSCGKSA-N -1 1 367.409 2.335 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCOC)c2ccco2)o1 ZINC000503843715 561648967 /nfs/dbraw/zinc/64/89/67/561648967.db2.gz GYWOTGINSYNNSM-NSHDSACASA-N -1 1 357.384 2.105 20 0 FEADMM O=C(Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1)N1CCSCC1 ZINC000299529407 553576308 /nfs/dbraw/zinc/57/63/08/553576308.db2.gz QMAMPIKSYQFQQS-UHFFFAOYSA-N -1 1 372.446 2.468 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(n3c(C)ccc3C)CC2)o1 ZINC000299564425 553581819 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/nfs/dbraw/zinc/72/99/93/561729993.db2.gz LMCXVNMMUAFBMY-UHFFFAOYSA-N -1 1 373.352 2.491 20 0 FEADMM Cn1cc(Oc2ccccc2C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cn1 ZINC000507877910 561744389 /nfs/dbraw/zinc/74/43/89/561744389.db2.gz NFMJIYVSVXERSU-LBPRGKRZSA-N -1 1 369.381 2.321 20 0 FEADMM COC(=O)c1cc(NC(=O)c2c(F)ccc([O-])c2F)cc(C(=O)OC)c1 ZINC000507937195 561746697 /nfs/dbraw/zinc/74/66/97/561746697.db2.gz OJAMERIEUFUIIO-UHFFFAOYSA-N -1 1 365.288 2.496 20 0 FEADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCN(CC(C)C)CC3)n2)c1 ZINC000330621034 554146414 /nfs/dbraw/zinc/14/64/14/554146414.db2.gz AYWDNQAMOZNSQI-UHFFFAOYSA-N -1 1 360.433 2.439 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c(F)c1 ZINC000331090840 554211278 /nfs/dbraw/zinc/21/12/78/554211278.db2.gz VVFNOWLULBIOQO-UHFFFAOYSA-N -1 1 357.325 2.224 20 0 FEADMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000331251328 554236621 /nfs/dbraw/zinc/23/66/21/554236621.db2.gz SYVDXRKAILOYKO-SECBINFHSA-N -1 1 371.261 2.132 20 0 FEADMM COc1cc(C(=O)N(C)CCN2CCOC(C)(C)C2)cc(Cl)c1[O-] ZINC000331323318 554247026 /nfs/dbraw/zinc/24/70/26/554247026.db2.gz DGFMJQYBMDEONM-UHFFFAOYSA-N -1 1 356.850 2.237 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)c1 ZINC000509203269 561790004 /nfs/dbraw/zinc/79/00/04/561790004.db2.gz ONQPHJVAPUZIBM-UHFFFAOYSA-N -1 1 362.436 2.185 20 0 FEADMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000509279359 561793587 /nfs/dbraw/zinc/79/35/87/561793587.db2.gz MPSCYIOAZGHXOJ-UKRRQHHQSA-N -1 1 373.409 2.302 20 0 FEADMM CCOC(=O)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000509413423 561798338 /nfs/dbraw/zinc/79/83/38/561798338.db2.gz CHFUSUMBVJTVIT-UHFFFAOYSA-N -1 1 362.407 2.379 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C)c2=O ZINC000332004836 554361672 /nfs/dbraw/zinc/36/16/72/554361672.db2.gz JAIIUEKHOJRYEA-QWHCGFSZSA-N -1 1 356.426 2.163 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)C(=O)N3CCCC[C@@H]3C)cnc2n1 ZINC000332004836 554361674 /nfs/dbraw/zinc/36/16/74/554361674.db2.gz JAIIUEKHOJRYEA-QWHCGFSZSA-N -1 1 356.426 2.163 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)ccc1C ZINC000509558220 561805229 /nfs/dbraw/zinc/80/52/29/561805229.db2.gz QXYWJQPEDJYYFZ-UHFFFAOYSA-N -1 1 373.438 2.344 20 0 FEADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000509919111 561818587 /nfs/dbraw/zinc/81/85/87/561818587.db2.gz KJMHBAMPZSHESN-LBPRGKRZSA-N -1 1 353.378 2.483 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(C(=O)N(C)C(C)C)CC3)cnc2n1 ZINC000332522452 554462314 /nfs/dbraw/zinc/46/23/14/554462314.db2.gz MVBIKUVEUVZRBU-UHFFFAOYSA-N -1 1 370.453 2.363 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c2=O ZINC000332522452 554462316 /nfs/dbraw/zinc/46/23/16/554462316.db2.gz MVBIKUVEUVZRBU-UHFFFAOYSA-N -1 1 370.453 2.363 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccncc3Br)cn21 ZINC000333196044 554587290 /nfs/dbraw/zinc/58/72/90/554587290.db2.gz UDJCVSBQAHNLNQ-VIFPVBQESA-N -1 1 371.260 2.161 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CCCCC3)C2)sc1C ZINC000333269374 554596789 /nfs/dbraw/zinc/59/67/89/554596789.db2.gz NJOGDXCPACRVLG-CQSZACIVSA-N -1 1 371.528 2.219 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)n[n-]1)c1ccccc1 ZINC000333499882 554619032 /nfs/dbraw/zinc/61/90/32/554619032.db2.gz RZGOKSWLRLIZTD-AITUJVMLSA-N -1 1 368.481 3.016 20 0 FEADMM COc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])c(C(F)(F)F)c1 ZINC000511053342 561855117 /nfs/dbraw/zinc/85/51/17/561855117.db2.gz UMJHOUOGROAKRT-UHFFFAOYSA-N -1 1 369.299 2.183 20 0 FEADMM COCc1nc(NC(=O)c2cn[nH]c2-c2ccncc2)sc1C(=O)OC ZINC000511168159 561859853 /nfs/dbraw/zinc/85/98/53/561859853.db2.gz CMIFABVOEOUBHZ-UHFFFAOYSA-N -1 1 373.394 2.114 20 0 FEADMM COC1(c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CCOCC1 ZINC000350298942 554777874 /nfs/dbraw/zinc/77/78/74/554777874.db2.gz LASSZKYBCCHJTB-UHFFFAOYSA-N -1 1 354.366 2.343 20 0 FEADMM Cn1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)c1 ZINC000350379062 554785042 /nfs/dbraw/zinc/78/50/42/554785042.db2.gz DPUITYUXCHOGLY-UHFFFAOYSA-N -1 1 350.400 2.412 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000511204317 561861256 /nfs/dbraw/zinc/86/12/56/561861256.db2.gz KFBHALBCNYWZBI-CABCVRRESA-N -1 1 373.453 2.048 20 0 FEADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)CNC(=O)c1ncccc1[O-])CCC2 ZINC000511301827 561864498 /nfs/dbraw/zinc/86/44/98/561864498.db2.gz SFFSHECCODISSY-LBPRGKRZSA-N -1 1 374.466 2.072 20 0 FEADMM COc1cc(-c2noc(CN(C)C(C)=O)n2)cc(Br)c1[O-] ZINC000350779743 554812898 /nfs/dbraw/zinc/81/28/98/554812898.db2.gz LXPYJOVQOBVLGR-UHFFFAOYSA-N -1 1 356.176 2.192 20 0 FEADMM CN(C)S(=O)(=O)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)co1 ZINC000350814340 554815712 /nfs/dbraw/zinc/81/57/12/554815712.db2.gz PCMZKKPOALZZHZ-UHFFFAOYSA-N -1 1 353.331 2.092 20 0 FEADMM O=C1CCC(=O)N(c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)N1 ZINC000350819459 554816163 /nfs/dbraw/zinc/81/61/63/554816163.db2.gz RBEIGOILSRAYTO-UHFFFAOYSA-N -1 1 368.324 2.406 20 0 FEADMM O=C1CNC(=O)N1Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000350823427 554816465 /nfs/dbraw/zinc/81/64/65/554816465.db2.gz MGEFURLEQNMLJU-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM O=C1NC2(CCCCC2)C(=O)N1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350834554 554816731 /nfs/dbraw/zinc/81/67/31/554816731.db2.gz LJQLHZOJGJIIBZ-UHFFFAOYSA-N -1 1 360.345 2.336 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1 ZINC000360223376 554867850 /nfs/dbraw/zinc/86/78/50/554867850.db2.gz SWTFSJKUWMDDTK-UHFFFAOYSA-N -1 1 371.374 2.348 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCOc3ccc(F)cc31)c2=O ZINC000511908177 561885083 /nfs/dbraw/zinc/88/50/83/561885083.db2.gz WBHBJYQNLTUVRV-AWEZNQCLSA-N -1 1 356.357 2.457 20 0 FEADMM C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000512196928 561895737 /nfs/dbraw/zinc/89/57/37/561895737.db2.gz OWURARWQBPAWJC-DINDLPBHSA-N -1 1 352.394 2.357 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2ccnc(O[C@H]3CCOC3)c2)c1Br ZINC000616009513 555262934 /nfs/dbraw/zinc/26/29/34/555262934.db2.gz WERKLERHDSXSKS-JTQLQIEISA-N -1 1 367.203 2.296 20 0 FEADMM O=C(N=c1ccc([O-])n[nH]1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000364309260 555288984 /nfs/dbraw/zinc/28/89/84/555288984.db2.gz PLZWCEBRAXSRCV-INIZCTEOSA-N -1 1 361.357 2.889 20 0 FEADMM O=C(N=c1ccc(O)n[n-]1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000364309260 555288986 /nfs/dbraw/zinc/28/89/86/555288986.db2.gz PLZWCEBRAXSRCV-INIZCTEOSA-N -1 1 361.357 2.889 20 0 FEADMM Cc1noc(C2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])CC2)n1 ZINC000364493371 555323460 /nfs/dbraw/zinc/32/34/60/555323460.db2.gz NTGAKLIHBOWVGE-UHFFFAOYSA-N -1 1 353.382 2.355 20 0 FEADMM Cc1noc(C2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CC2)n1 ZINC000364493371 555323462 /nfs/dbraw/zinc/32/34/62/555323462.db2.gz NTGAKLIHBOWVGE-UHFFFAOYSA-N -1 1 353.382 2.355 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cc(C)cc(C)c3)[nH]n2)o1 ZINC000512556602 561909000 /nfs/dbraw/zinc/90/90/00/561909000.db2.gz ZLBZTMYOEBEVCI-UHFFFAOYSA-N -1 1 374.422 2.447 20 0 FEADMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc(-c2nc[nH]n2)n1 ZINC000512544131 561908794 /nfs/dbraw/zinc/90/87/94/561908794.db2.gz KBHYLERCVMWKSB-UHFFFAOYSA-N -1 1 370.373 2.029 20 0 FEADMM CC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)O ZINC000512712604 561913266 /nfs/dbraw/zinc/91/32/66/561913266.db2.gz SJLYRFRRIIAHPV-HNNXBMFYSA-N -1 1 358.442 2.151 20 0 FEADMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)[C@@H]1CCC(=O)NC1 ZINC000617362862 555426249 /nfs/dbraw/zinc/42/62/49/555426249.db2.gz QTXJXRCGCTXDGX-SSDOTTSWSA-N -1 1 369.244 2.365 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)cc1 ZINC000512756956 561914299 /nfs/dbraw/zinc/91/42/99/561914299.db2.gz AWAXACVVROJKIK-UHFFFAOYSA-N -1 1 359.407 2.131 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000512571778 561909413 /nfs/dbraw/zinc/90/94/13/561909413.db2.gz GRRXLDVFFCALSB-IBGZPJMESA-N -1 1 371.400 2.206 20 0 FEADMM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000512606809 561910043 /nfs/dbraw/zinc/91/00/43/561910043.db2.gz FVVZHOLUIISAHI-LLVKDONJSA-N -1 1 366.443 2.046 20 0 FEADMM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000512606809 561910045 /nfs/dbraw/zinc/91/00/45/561910045.db2.gz FVVZHOLUIISAHI-LLVKDONJSA-N -1 1 366.443 2.046 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1OC ZINC000364947396 555447406 /nfs/dbraw/zinc/44/74/06/555447406.db2.gz HYFRZSJJFHFLPQ-UHFFFAOYSA-N -1 1 374.422 2.300 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCC[C@H]1CCCCO1 ZINC000364966037 555452223 /nfs/dbraw/zinc/45/22/23/555452223.db2.gz VIMVOOSNFNNQHL-MRXNPFEDSA-N -1 1 370.453 2.148 20 0 FEADMM CN(Cc1nc(-c2cccs2)no1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000513584764 561943718 /nfs/dbraw/zinc/94/37/18/561943718.db2.gz ZXMAAHCKNMOUIB-UHFFFAOYSA-N -1 1 367.390 2.307 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)c1 ZINC000513801612 561950516 /nfs/dbraw/zinc/95/05/16/561950516.db2.gz ZETLAFBTNNBHSQ-UHFFFAOYSA-N -1 1 355.437 2.445 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3cc(C)ccc3CC2(C)C)o1 ZINC000513657291 561945900 /nfs/dbraw/zinc/94/59/00/561945900.db2.gz DVQPPZJNAMSAQQ-UHFFFAOYSA-N -1 1 362.451 2.473 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000513792850 561949987 /nfs/dbraw/zinc/94/99/87/561949987.db2.gz NCZASBKZHOONJE-VIFPVBQESA-N -1 1 357.359 2.253 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)COc2cccc(C)c2)c1 ZINC000513795601 561950176 /nfs/dbraw/zinc/95/01/76/561950176.db2.gz JAESOZLXMZQZJB-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)N(C)CCC4)cn2n1 ZINC000366642293 555897700 /nfs/dbraw/zinc/89/77/00/555897700.db2.gz PPNRIKPTHJRHKQ-UHFFFAOYSA-N -1 1 357.439 2.221 20 0 FEADMM O=C(CSCc1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366664374 555903053 /nfs/dbraw/zinc/90/30/53/555903053.db2.gz SNMAQZZDHSGRQW-LBPRGKRZSA-N -1 1 351.863 2.493 20 0 FEADMM COc1cccc(C2(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)CCCC2)c1 ZINC000366711911 555915876 /nfs/dbraw/zinc/91/58/76/555915876.db2.gz SSGHMCJQMUWENQ-AWEZNQCLSA-N -1 1 355.442 2.426 20 0 FEADMM O=C1C[C@@H](CN=c2nc(C(F)(F)F)[n-]s2)CN1Cc1ccccc1 ZINC000367425106 556045092 /nfs/dbraw/zinc/04/50/92/556045092.db2.gz AUDSYRAIIYRCRL-NSHDSACASA-N -1 1 356.373 2.439 20 0 FEADMM O=c1[n-]c([C@@H]2CCCN(C[C@H](O)Cc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000514813639 561980963 /nfs/dbraw/zinc/98/09/63/561980963.db2.gz HDNSZLUDXJYXRX-CHWSQXEVSA-N -1 1 370.375 2.312 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000367687001 556114854 /nfs/dbraw/zinc/11/48/54/556114854.db2.gz MPVUTUUZJDQKPX-UHFFFAOYSA-N -1 1 374.422 2.533 20 0 FEADMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2C1 ZINC000367881065 556163141 /nfs/dbraw/zinc/16/31/41/556163141.db2.gz XNXRARLZBLVZEA-UHFFFAOYSA-N -1 1 360.391 2.078 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(Sc3ccccn3)CC1)c2=O ZINC000367986093 556188503 /nfs/dbraw/zinc/18/85/03/556188503.db2.gz YMTYTBOJIQUFNE-UHFFFAOYSA-N -1 1 369.450 2.466 20 0 FEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000515034530 561993078 /nfs/dbraw/zinc/99/30/78/561993078.db2.gz BYYPIGGZESMOFR-UHFFFAOYSA-N -1 1 355.398 2.323 20 0 FEADMM CCCc1nc([C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c2ccccc2)no1 ZINC000368132192 556227027 /nfs/dbraw/zinc/22/70/27/556227027.db2.gz PYINTIOUIRTVOX-HNNXBMFYSA-N -1 1 367.471 2.456 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)c3ccncc3)CC2)n1 ZINC000368437907 556309442 /nfs/dbraw/zinc/30/94/42/556309442.db2.gz HWHUOJWTJULQKD-LBPRGKRZSA-N -1 1 372.429 2.027 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CC1(Cl)Cl ZINC000368504076 556329111 /nfs/dbraw/zinc/32/91/11/556329111.db2.gz SWIXNDBYQMHROJ-HZGVNTEJSA-N -1 1 364.595 2.392 20 0 FEADMM Cc1cc(C(F)F)oc1C(=O)N=c1[n-]nc(NS(C)(=O)=O)s1 ZINC000624517195 556598929 /nfs/dbraw/zinc/59/89/29/556598929.db2.gz HWKNEFURWRHZAL-UHFFFAOYSA-N -1 1 352.344 2.001 20 0 FEADMM Cc1nc([C@@H]2COCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])no1 ZINC000369444326 556601790 /nfs/dbraw/zinc/60/17/90/556601790.db2.gz UJPDSUDNRDXFKP-NSHDSACASA-N -1 1 357.288 2.316 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NC[C@](C)(O)c3cccc(Cl)c3)ccnc1-2 ZINC000806487679 674378826 /nfs/dbraw/zinc/37/88/26/674378826.db2.gz CNFFSHOFAYYRGR-KRWDZBQOSA-N -1 1 359.817 2.024 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000370254238 556822886 /nfs/dbraw/zinc/82/28/86/556822886.db2.gz YYKNMAGWGRHPTF-UHFFFAOYSA-N -1 1 369.347 2.036 20 0 FEADMM CSc1ccc(N2C[C@H](C(=O)[N-]OCc3cccnc3)CC2=O)cc1 ZINC000370841937 556986785 /nfs/dbraw/zinc/98/67/85/556986785.db2.gz BMLXRCXAQDPEFD-CQSZACIVSA-N -1 1 357.435 2.404 20 0 FEADMM O=C(C=Cc1cccc(-c2ccccc2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370862942 556994422 /nfs/dbraw/zinc/99/44/22/556994422.db2.gz SQKWRWQAMAGSTR-BBVFFXRHSA-N -1 1 361.405 2.480 20 0 FEADMM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)NCCN1CC[C@H](O)C1 ZINC000626507621 557099786 /nfs/dbraw/zinc/09/97/86/557099786.db2.gz HQXNFLROPPMORL-LBPRGKRZSA-N -1 1 367.862 2.047 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1OC ZINC000517638073 562094369 /nfs/dbraw/zinc/09/43/69/562094369.db2.gz CXJHHAAOOAUUMT-QFIPXVFZSA-N -1 1 355.437 2.242 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1Cc3ccccc3[C@@H](n3cccn3)C1)c2=O ZINC000371651914 557251283 /nfs/dbraw/zinc/25/12/83/557251283.db2.gz UOJJBZXLAOUNMD-KRWDZBQOSA-N -1 1 374.404 2.116 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371661508 557254679 /nfs/dbraw/zinc/25/46/79/557254679.db2.gz QHLHSOMSJDRQOG-CQSZACIVSA-N -1 1 359.389 2.360 20 0 FEADMM COCC(=O)N1CCc2c1cccc2NC(=O)c1ccc(OC)cc1[O-] ZINC000371794142 557295460 /nfs/dbraw/zinc/29/54/60/557295460.db2.gz DYBYQFQWGWKZLT-UHFFFAOYSA-N -1 1 356.378 2.189 20 0 FEADMM COc1cc2ncc(C(=O)N=c3cc4n([nH]3)CCCC4)c([O-])c2c(OC)c1 ZINC000627195609 557300965 /nfs/dbraw/zinc/30/09/65/557300965.db2.gz CVXDHCMQTOZMLV-UHFFFAOYSA-N -1 1 368.393 2.330 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000371817822 557302711 /nfs/dbraw/zinc/30/27/11/557302711.db2.gz XZTWZIWFTILMPA-AAEUAGOBSA-N -1 1 368.227 2.365 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)o1 ZINC000518620204 562115436 /nfs/dbraw/zinc/11/54/36/562115436.db2.gz MVTMQDOCXMHANO-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000372059238 557368952 /nfs/dbraw/zinc/36/89/52/557368952.db2.gz ZUFKXBXIXKFYTB-UHFFFAOYSA-N -1 1 373.390 2.002 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(-c3cccnc3)c2)o1 ZINC000372067796 557371548 /nfs/dbraw/zinc/37/15/48/557371548.db2.gz IRLVYWWYZYWFIG-UHFFFAOYSA-N -1 1 371.418 2.180 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccnn1C)c1nc(-c2ccccc2)no1 ZINC000372078932 557374933 /nfs/dbraw/zinc/37/49/33/557374933.db2.gz UIAQRXCPGMAGAE-AWEZNQCLSA-N -1 1 361.427 2.146 20 0 FEADMM C/C=C/c1ccc(OCC(=O)NC2(c3nn[n-]n3)CCCC2)c(OC)c1 ZINC000518831601 562119472 /nfs/dbraw/zinc/11/94/72/562119472.db2.gz VYOFHAVATKVBMC-ZZXKWVIFSA-N -1 1 357.414 2.206 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)OCC(C)C)c1 ZINC000518874452 562120250 /nfs/dbraw/zinc/12/02/50/562120250.db2.gz CWGBIANOEBRWOZ-CYBMUJFWSA-N -1 1 372.487 2.422 20 0 FEADMM C[C@H]1COCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000372218208 557412597 /nfs/dbraw/zinc/41/25/97/557412597.db2.gz SGDQTLDIISEPBR-SECBINFHSA-N -1 1 361.179 2.105 20 0 FEADMM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372278768 557428106 /nfs/dbraw/zinc/42/81/06/557428106.db2.gz UFNCVAXXXQTFJW-WDEREUQCSA-N -1 1 369.347 2.392 20 0 FEADMM CCc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ncccc2[O-])CC1 ZINC000519032503 562123665 /nfs/dbraw/zinc/12/36/65/562123665.db2.gz ONLQCUFZNCEVJH-INIZCTEOSA-N -1 1 369.465 2.461 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@]2(C3CCCC3)CCNC2=O)c1Br ZINC000627669865 557470009 /nfs/dbraw/zinc/47/00/09/557470009.db2.gz VYJVOGHWEHXBLS-AWEZNQCLSA-N -1 1 355.236 2.116 20 0 FEADMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000372456870 557475674 /nfs/dbraw/zinc/47/56/74/557475674.db2.gz HRMMPJDSXXHTBT-OAGGEKHMSA-N -1 1 365.478 2.255 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F)C1CC1 ZINC000519822578 562145407 /nfs/dbraw/zinc/14/54/07/562145407.db2.gz DEQBVVUCCVLXMV-LLVKDONJSA-N -1 1 351.346 2.473 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000373088351 557625747 /nfs/dbraw/zinc/62/57/47/557625747.db2.gz PNIRRZWDWVHKNX-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC(C)C)c2cccc(OC)c2)o1 ZINC000519886839 562147538 /nfs/dbraw/zinc/14/75/38/562147538.db2.gz BCVKLVJEXAQJRX-UHFFFAOYSA-N -1 1 366.439 2.499 20 0 FEADMM Cc1csc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1Br ZINC000373807663 557763652 /nfs/dbraw/zinc/76/36/52/557763652.db2.gz WFXQJLCQEFCQRY-MRVPVSSYSA-N -1 1 356.249 2.352 20 0 FEADMM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000373831594 557768919 /nfs/dbraw/zinc/76/89/19/557768919.db2.gz NPNOHKSNCHKYPX-NWDGAFQWSA-N -1 1 361.421 2.095 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)cc1C(N)=O ZINC000520763319 562163097 /nfs/dbraw/zinc/16/30/97/562163097.db2.gz NKMNBRJGZMWMMP-UHFFFAOYSA-N -1 1 374.466 2.280 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000374048021 557813721 /nfs/dbraw/zinc/81/37/21/557813721.db2.gz BSTMKIZVFDBDHP-KOZAUXTDSA-N -1 1 358.442 2.076 20 0 FEADMM O=C(NCC1CCOCC1)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000374487119 557890354 /nfs/dbraw/zinc/89/03/54/557890354.db2.gz ZAQIBRCYTQINNT-OAHLLOKOSA-N -1 1 366.845 2.193 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000375154707 557984863 /nfs/dbraw/zinc/98/48/63/557984863.db2.gz VBJVYTISUJISNO-LBPRGKRZSA-N -1 1 364.833 2.187 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2C[C@H](O)C3(CC3)C2)c1)OCC(F)(F)F ZINC000375277989 558003318 /nfs/dbraw/zinc/00/33/18/558003318.db2.gz CDBITXHAMYZKPW-LBPRGKRZSA-N -1 1 374.315 2.100 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)C[C@@H]1CCCOC1 ZINC000521683860 562182176 /nfs/dbraw/zinc/18/21/76/562182176.db2.gz JXQAXSWYRFESKW-HNNXBMFYSA-N -1 1 370.453 2.370 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000377098350 558265864 /nfs/dbraw/zinc/26/58/64/558265864.db2.gz AMINAVQQRPNUCS-WLRWDXFRSA-N -1 1 370.384 2.372 20 0 FEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H]1COc2ccccc2[C@H]1O ZINC000377296092 558308771 /nfs/dbraw/zinc/30/87/71/558308771.db2.gz LESIWUNIWYFFCT-GDBMZVCRSA-N -1 1 371.817 2.393 20 0 FEADMM COc1ccncc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000377473810 558346642 /nfs/dbraw/zinc/34/66/42/558346642.db2.gz FVHREFQERQGLGC-UHFFFAOYSA-N -1 1 351.366 2.137 20 0 FEADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(c2cccc(F)c2)CCCCC1 ZINC000377600141 558374627 /nfs/dbraw/zinc/37/46/27/558374627.db2.gz IPSYASKQIZBWFP-OAHLLOKOSA-N -1 1 359.405 2.141 20 0 FEADMM C[N@H+]1CC[C@H](CNS(=O)(=O)c2c[nH]cn2)[C@@H]1c1cccc(Cl)c1 ZINC000377761718 558414218 /nfs/dbraw/zinc/41/42/18/558414218.db2.gz NVNQCSBQXIGPRJ-DOMZBBRYSA-N -1 1 354.863 2.034 20 0 FEADMM C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c[nH]cn2)[C@@H]1c1cccc(Cl)c1 ZINC000377761724 558414453 /nfs/dbraw/zinc/41/44/53/558414453.db2.gz NVNQCSBQXIGPRJ-WFASDCNBSA-N -1 1 354.863 2.034 20 0 FEADMM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N[C@H]2CCc3nc[nH]c3C2)s1 ZINC000377807432 558423864 /nfs/dbraw/zinc/42/38/64/558423864.db2.gz RAUCRARYQYHQGE-NSHDSACASA-N -1 1 372.429 3.055 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2)cs1 ZINC000522744925 562203124 /nfs/dbraw/zinc/20/31/24/562203124.db2.gz WJWBGPFLNMMSMW-UHFFFAOYSA-N -1 1 350.381 2.032 20 0 FEADMM Cc1nc(-c2ccc(N3CCC4(CCOC4=O)CC3)nc2)[n-]c(=O)c1C ZINC000378007080 558462114 /nfs/dbraw/zinc/46/21/14/558462114.db2.gz VLYMXLXCTNUCHV-UHFFFAOYSA-N -1 1 354.410 2.395 20 0 FEADMM COC(=O)C(C)(C)CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000378117621 558485280 /nfs/dbraw/zinc/48/52/80/558485280.db2.gz GAJGVEQDALBULK-UHFFFAOYSA-N -1 1 362.426 2.196 20 0 FEADMM O=C(CN1CCC[C@@H](C(=O)Nc2nccs2)C1)[N-]OCc1ccccc1 ZINC000378374488 558542928 /nfs/dbraw/zinc/54/29/28/558542928.db2.gz DDWQXPPYWHCXQE-OAHLLOKOSA-N -1 1 374.466 2.042 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000378522681 558574251 /nfs/dbraw/zinc/57/42/51/558574251.db2.gz PXRJNTHPTRVPJV-NSHDSACASA-N -1 1 352.437 2.160 20 0 FEADMM CCn1ccnc1NC(=O)c1ccc(I)c([O-])c1 ZINC000382381858 558604413 /nfs/dbraw/zinc/60/44/13/558604413.db2.gz LNCJFWUOSDTYNJ-UHFFFAOYSA-N -1 1 357.151 2.466 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000386230815 558607026 /nfs/dbraw/zinc/60/70/26/558607026.db2.gz PUCQFFLQQGDMQR-GFCCVEGCSA-N -1 1 361.179 2.152 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(OC)c1 ZINC000392170356 558616154 /nfs/dbraw/zinc/61/61/54/558616154.db2.gz ZALMDOWFLDAEOK-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM C[C@H]1CSC[C@@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000397912760 558625349 /nfs/dbraw/zinc/62/53/49/558625349.db2.gz CBXSWXOASFRENJ-XVKPBYJWSA-N -1 1 363.220 2.478 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@@H]2CCO[C@@H]21 ZINC000408213039 558657129 /nfs/dbraw/zinc/65/71/29/558657129.db2.gz BXRQJZQNUWEXSM-XROYCOCOSA-N -1 1 350.234 2.134 20 0 FEADMM Cc1cccc(N(C)C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1 ZINC000524283984 562226557 /nfs/dbraw/zinc/22/65/57/562226557.db2.gz CQRATGBRZJLBAI-UHFFFAOYSA-N -1 1 370.453 2.231 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)o1 ZINC000524321772 562227028 /nfs/dbraw/zinc/22/70/28/562227028.db2.gz JNAAWSLJBGMPDM-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000524745193 562233709 /nfs/dbraw/zinc/23/37/09/562233709.db2.gz IWUXTFZXUKAIFR-LBPRGKRZSA-N -1 1 373.375 2.440 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1sc(Cc2ccccc2)nc1C ZINC000410285487 558749946 /nfs/dbraw/zinc/74/99/46/558749946.db2.gz YHEWTCWFDDJAGB-UHFFFAOYSA-N -1 1 369.450 2.686 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000410304397 558750543 /nfs/dbraw/zinc/75/05/43/558750543.db2.gz GNYGHHZIIPSQIT-VXGBXAGGSA-N -1 1 366.343 2.839 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000410310875 558750926 /nfs/dbraw/zinc/75/09/26/558750926.db2.gz YVCUZIGQLPNVOQ-UHFFFAOYSA-N -1 1 369.450 3.070 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc2n(C)c1=O ZINC000525012396 562239356 /nfs/dbraw/zinc/23/93/56/562239356.db2.gz DOLWLDXBYZTFCU-UHFFFAOYSA-N -1 1 371.340 2.095 20 0 FEADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000412193017 559019182 /nfs/dbraw/zinc/01/91/82/559019182.db2.gz MZNLPDTYVGXUAX-SNVBAGLBSA-N -1 1 362.380 2.988 20 0 FEADMM O=C(Cc1ccccc1OC1CCCC1)Nc1nc(SCCO)n[nH]1 ZINC000412192445 559019235 /nfs/dbraw/zinc/01/92/35/559019235.db2.gz LWGGIWUFYZPBKE-UHFFFAOYSA-N -1 1 362.455 2.392 20 0 FEADMM Cc1cccc2nc(CCC(=O)N3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)[nH]c21 ZINC000412324911 559027863 /nfs/dbraw/zinc/02/78/63/559027863.db2.gz RIFZWYFLBBAYHA-GFCCVEGCSA-N -1 1 354.414 2.034 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)OCC2CC2)o1 ZINC000412615777 559046703 /nfs/dbraw/zinc/04/67/03/559046703.db2.gz BVPYZLQDMPTLAN-UHFFFAOYSA-N -1 1 372.487 2.291 20 0 FEADMM COCCOCCOc1ccc(CS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000414212232 559153179 /nfs/dbraw/zinc/15/31/79/559153179.db2.gz QBVXOGZLJPCACM-UHFFFAOYSA-N -1 1 366.435 2.408 20 0 FEADMM CN(CCCC(=O)[O-])C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000414620000 559175805 /nfs/dbraw/zinc/17/58/05/559175805.db2.gz SYTVWCCDLRIUPY-UHFFFAOYSA-N -1 1 369.506 2.306 20 0 FEADMM Cc1cc(C)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(OC2CCC2)n1 ZINC000527168276 562278857 /nfs/dbraw/zinc/27/88/57/562278857.db2.gz PSXJBUNSVSGWNZ-ZDUSSCGKSA-N -1 1 356.430 2.163 20 0 FEADMM CCOC(=O)c1c[nH]c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 ZINC000415648331 559257977 /nfs/dbraw/zinc/25/79/77/559257977.db2.gz OCKFKKUAEHCYMA-NSHDSACASA-N -1 1 374.372 2.026 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 ZINC000415648331 559257979 /nfs/dbraw/zinc/25/79/79/559257979.db2.gz OCKFKKUAEHCYMA-NSHDSACASA-N -1 1 374.372 2.026 20 0 FEADMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416167746 559295952 /nfs/dbraw/zinc/29/59/52/559295952.db2.gz UITWVHTZKPSDNO-NSHDSACASA-N -1 1 351.790 2.301 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000416194490 559297674 /nfs/dbraw/zinc/29/76/74/559297674.db2.gz TXOIBYQWCNODML-RKDXNWHRSA-N -1 1 364.261 2.471 20 0 FEADMM CO[C@H](CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)CC(C)C ZINC000416262374 559301522 /nfs/dbraw/zinc/30/15/22/559301522.db2.gz OPUBZJPRKMCLTB-HNNXBMFYSA-N -1 1 358.442 2.272 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@@](C)(O)C3)cc2)cc1 ZINC000416284789 559302531 /nfs/dbraw/zinc/30/25/31/559302531.db2.gz YXUNBTLHHFDANC-UWUNEBHHSA-N -1 1 374.462 2.439 20 0 FEADMM CC[C@](COC)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC ZINC000416514850 559319162 /nfs/dbraw/zinc/31/91/62/559319162.db2.gz JFIYODBSUKEWBN-CYBMUJFWSA-N -1 1 370.254 2.240 20 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/nfs/dbraw/zinc/49/80/62/559498062.db2.gz DNYPOMHUTPIMIF-JKSUJKDBSA-N -1 1 371.499 2.284 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SCCC(N)=O ZINC000421159319 559527604 /nfs/dbraw/zinc/52/76/04/559527604.db2.gz SYLCTBCSSHUAKQ-ZDUSSCGKSA-N -1 1 374.528 2.457 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CC2(F)F)c1 ZINC000421798052 559553877 /nfs/dbraw/zinc/55/38/77/559553877.db2.gz XJHVPXFXKNNSQU-CQSZACIVSA-N -1 1 362.398 2.407 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3(C)C)o1 ZINC000421961505 559558379 /nfs/dbraw/zinc/55/83/79/559558379.db2.gz KFHJMWNJXVVCHD-UHFFFAOYSA-N -1 1 355.441 2.120 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)NC(=O)NCc1cccs1 ZINC000527309496 562284810 /nfs/dbraw/zinc/28/48/10/562284810.db2.gz IEPNIDJJHGCBMR-UHFFFAOYSA-N -1 1 364.452 2.239 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2c(C)nn(COC)c2C)c(F)c1 ZINC000424062810 559653279 /nfs/dbraw/zinc/65/32/79/559653279.db2.gz HWKSBRVSYJBEDC-UHFFFAOYSA-N -1 1 357.407 2.442 20 0 FEADMM CCC(CC)(CNC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000424238809 559659096 /nfs/dbraw/zinc/65/90/96/559659096.db2.gz DSEAGADTNBTVHB-UHFFFAOYSA-N -1 1 361.486 2.055 20 0 FEADMM CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424257888 559659574 /nfs/dbraw/zinc/65/95/74/559659574.db2.gz KZXPUNGVERVCCE-CQSZACIVSA-N -1 1 373.453 2.470 20 0 FEADMM Cc1cc(N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c2cc(Cl)cc(C)c2n1 ZINC000424369738 559662237 /nfs/dbraw/zinc/66/22/37/559662237.db2.gz CGOWJQWKHFGDGE-ZDUSSCGKSA-N -1 1 373.800 2.276 20 0 FEADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccnn2C)ccc1OC(F)F ZINC000424616834 559671238 /nfs/dbraw/zinc/67/12/38/559671238.db2.gz GUBCMRQEUHNCNZ-CQSZACIVSA-N -1 1 355.341 2.336 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H]3O)c2)cc1 ZINC000425037118 559684647 /nfs/dbraw/zinc/68/46/47/559684647.db2.gz QCNBQJYWEUDJFT-IAGOWNOFSA-N -1 1 360.435 2.049 20 0 FEADMM CN1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000425179204 559689826 /nfs/dbraw/zinc/68/98/26/559689826.db2.gz APQQEPKKNLEICL-QMMMGPOBSA-N -1 1 369.245 2.279 20 0 FEADMM C[C@H](N=c1ccc(N2CCN(c3ncccn3)CC2)n[n-]1)c1ccccc1 ZINC000425199117 559690847 /nfs/dbraw/zinc/69/08/47/559690847.db2.gz GOIPQTWTBSARJC-INIZCTEOSA-N -1 1 361.453 2.766 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)c(F)c1 ZINC000425212875 559691612 /nfs/dbraw/zinc/69/16/12/559691612.db2.gz ZBGBXWVGZGJISD-CQSZACIVSA-N -1 1 355.406 2.403 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCN(CC(F)(F)F)C2)c(F)c1 ZINC000425216255 559691735 /nfs/dbraw/zinc/69/17/35/559691735.db2.gz LECCBRIVBNVLER-JTQLQIEISA-N -1 1 372.359 2.436 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)c(F)c1 ZINC000425216258 559691767 /nfs/dbraw/zinc/69/17/67/559691767.db2.gz LECCBRIVBNVLER-SNVBAGLBSA-N -1 1 372.359 2.436 20 0 FEADMM CC(C)(C)c1nnc2ccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)cn21 ZINC000425297589 559695203 /nfs/dbraw/zinc/69/52/03/559695203.db2.gz IFMJTSPRXVUARB-LLVKDONJSA-N -1 1 370.413 2.135 20 0 FEADMM CC(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425308751 559695731 /nfs/dbraw/zinc/69/57/31/559695731.db2.gz VRLROOZNCLIBFW-ZDUSSCGKSA-N -1 1 358.398 2.390 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)nn1-c1cccc(F)c1 ZINC000425308721 559695742 /nfs/dbraw/zinc/69/57/42/559695742.db2.gz VNDUKFZNDULLCJ-GFCCVEGCSA-N -1 1 371.372 2.428 20 0 FEADMM CCOc1cccc2c1OCC(C(=O)N1CCC(c3n[n-]c(=O)o3)CC1)=C2 ZINC000425316577 559696507 /nfs/dbraw/zinc/69/65/07/559696507.db2.gz DFQUBEUSTUZXDW-UHFFFAOYSA-N -1 1 371.393 2.356 20 0 FEADMM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000426364127 559733479 /nfs/dbraw/zinc/73/34/79/559733479.db2.gz FLBKPYYEUHPSTE-CHWSQXEVSA-N -1 1 352.508 2.311 20 0 FEADMM COCCOc1cc(C)ccc1CNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426588528 559738425 /nfs/dbraw/zinc/73/84/25/559738425.db2.gz QFDVMULUCKHGGH-UHFFFAOYSA-N -1 1 361.467 2.981 20 0 FEADMM COC(=O)CC1([N-]S(=O)(=O)c2sccc2Br)CCC1 ZINC000427256525 559751496 /nfs/dbraw/zinc/75/14/96/559751496.db2.gz LSZPOKXPXREJAI-UHFFFAOYSA-N -1 1 368.274 2.275 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCNC(=O)NC3CCCCC3)cnc2n1 ZINC000427635297 559759460 /nfs/dbraw/zinc/75/94/60/559759460.db2.gz BZMCKNMVQDBSDH-UHFFFAOYSA-N -1 1 371.441 2.006 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCNC(=O)NC1CCCCC1)c2=O ZINC000427635297 559759461 /nfs/dbraw/zinc/75/94/61/559759461.db2.gz BZMCKNMVQDBSDH-UHFFFAOYSA-N -1 1 371.441 2.006 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)c1C ZINC000427748882 559761387 /nfs/dbraw/zinc/76/13/87/559761387.db2.gz MWNSKKCWHPCJKX-UHFFFAOYSA-N -1 1 367.427 2.014 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC(F)F)cc1 ZINC000428025616 559767812 /nfs/dbraw/zinc/76/78/12/559767812.db2.gz UCVKQIQLTZFUIZ-ZDUSSCGKSA-N -1 1 366.320 2.341 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC)cc1OC ZINC000428048993 559768709 /nfs/dbraw/zinc/76/87/09/559768709.db2.gz PNPBMTDCCLDDDT-AWEZNQCLSA-N -1 1 374.393 2.147 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000428396987 559774595 /nfs/dbraw/zinc/77/45/95/559774595.db2.gz FKVPSQOINYRQCT-INIZCTEOSA-N -1 1 354.472 2.056 20 0 FEADMM CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)CC1 ZINC000429730681 559804724 /nfs/dbraw/zinc/80/47/24/559804724.db2.gz MXSFDRWBQJZMQZ-HNNXBMFYSA-N -1 1 370.497 2.281 20 0 FEADMM COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429824523 559806327 /nfs/dbraw/zinc/80/63/27/559806327.db2.gz YBSRSLQQQZISQQ-LBPRGKRZSA-N -1 1 367.298 2.383 20 0 FEADMM COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429824522 559806397 /nfs/dbraw/zinc/80/63/97/559806397.db2.gz YBSRSLQQQZISQQ-GFCCVEGCSA-N -1 1 367.298 2.383 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ncccc1[O-] ZINC000430159603 559814483 /nfs/dbraw/zinc/81/44/83/559814483.db2.gz AKZLUTNNDLSIQG-GFCCVEGCSA-N -1 1 365.227 2.131 20 0 FEADMM CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c2ccccc2O1 ZINC000433515053 559883478 /nfs/dbraw/zinc/88/34/78/559883478.db2.gz ALKLWWLERVZLPS-GFCCVEGCSA-N -1 1 363.391 2.457 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)sc1C ZINC000433771691 559887486 /nfs/dbraw/zinc/88/74/86/559887486.db2.gz SXADYFDQYGUXBD-OAHLLOKOSA-N -1 1 373.478 2.884 20 0 FEADMM CCC[C@H](NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nn[n-]n1 ZINC000434772741 559908921 /nfs/dbraw/zinc/90/89/21/559908921.db2.gz BKAIMHVMMPPCKA-JTQLQIEISA-N -1 1 372.410 2.323 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)n1 ZINC000436207193 559937515 /nfs/dbraw/zinc/93/75/15/559937515.db2.gz RPFZSBACEIHKFA-OAHLLOKOSA-N -1 1 359.451 2.153 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)n1 ZINC000436251695 559938485 /nfs/dbraw/zinc/93/84/85/559938485.db2.gz GLHUNGLMLMDKOW-VIFPVBQESA-N -1 1 359.407 2.439 20 0 FEADMM CN1C[C@@H](CN=c2ccc(C(=O)NC3CCCC3)n[n-]2)Cc2ccccc21 ZINC000436470597 559942215 /nfs/dbraw/zinc/94/22/15/559942215.db2.gz SDNOLONBKOAAFN-OAHLLOKOSA-N -1 1 365.481 2.870 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)cn1 ZINC000436473473 559942253 /nfs/dbraw/zinc/94/22/53/559942253.db2.gz AYKVFXXALPBLOO-UHFFFAOYSA-N -1 1 363.226 2.110 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)CC1 ZINC000436478274 559942722 /nfs/dbraw/zinc/94/27/22/559942722.db2.gz LSEQTXXUDLCFBY-UHFFFAOYSA-N -1 1 366.439 2.041 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1 ZINC000436502002 559943269 /nfs/dbraw/zinc/94/32/69/559943269.db2.gz CLOBKLUIROOOEW-UHFFFAOYSA-N -1 1 356.378 2.164 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(C(=O)N3CCCC3)n2)c1 ZINC000436509609 559943705 /nfs/dbraw/zinc/94/37/05/559943705.db2.gz RRFJYJMQYHLXFS-UHFFFAOYSA-N -1 1 369.377 2.062 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2COc3ccc(OC)cc3C2)c1 ZINC000436517445 559944166 /nfs/dbraw/zinc/94/41/66/559944166.db2.gz ZTUSLPUPVZHABP-ZDUSSCGKSA-N -1 1 357.362 2.377 20 0 FEADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](C)CS(=O)(=O)CC ZINC000436532826 559944491 /nfs/dbraw/zinc/94/44/91/559944491.db2.gz GWNLHANNAYXWKW-SNVBAGLBSA-N -1 1 363.863 2.340 20 0 FEADMM COCCO[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000436672795 559948406 /nfs/dbraw/zinc/94/84/06/559948406.db2.gz OHUCVIJAJRWPMR-LBPRGKRZSA-N -1 1 358.232 2.422 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c([O-])c1 ZINC000436696006 559949237 /nfs/dbraw/zinc/94/92/37/559949237.db2.gz FZLFSDCRENJFLW-UHFFFAOYSA-N -1 1 366.320 2.396 20 0 FEADMM COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c([O-])c1 ZINC000436755190 559950985 /nfs/dbraw/zinc/95/09/85/559950985.db2.gz LLPPIEBAGHWREG-UHFFFAOYSA-N -1 1 356.378 2.126 20 0 FEADMM CSCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1nnc2ccccn21 ZINC000436768551 559951345 /nfs/dbraw/zinc/95/13/45/559951345.db2.gz XAXDDFUJJWLHGA-AWEZNQCLSA-N -1 1 370.434 2.228 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c([O-])c1 ZINC000436774064 559951387 /nfs/dbraw/zinc/95/13/87/559951387.db2.gz RJPAVBKOJJMPJY-LLVKDONJSA-N -1 1 369.377 2.406 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)ccc1O ZINC000436813816 559952831 /nfs/dbraw/zinc/95/28/31/559952831.db2.gz GFLKCRJLHDKKMT-UHFFFAOYSA-N -1 1 361.379 2.164 20 0 FEADMM COCCN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCO[C@@H]1C ZINC000436821826 559953042 /nfs/dbraw/zinc/95/30/42/559953042.db2.gz MKDFXJTZCAFWOZ-ZWNOBZJWSA-N -1 1 358.232 2.421 20 0 FEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)c1 ZINC000436836322 559953641 /nfs/dbraw/zinc/95/36/41/559953641.db2.gz CSTKCASMTCSTOT-UHFFFAOYSA-N -1 1 361.379 2.384 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1c([O-])cccc1F)Cc1ccccc1OC ZINC000436899441 559955750 /nfs/dbraw/zinc/95/57/50/559955750.db2.gz KCRWNGUHNRCBIH-CYBMUJFWSA-N -1 1 361.369 2.302 20 0 FEADMM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(OC)cc3[O-])c2)C1=O ZINC000436916061 559956313 /nfs/dbraw/zinc/95/63/13/559956313.db2.gz UOGCGLIYUYMZMN-HNNXBMFYSA-N -1 1 369.377 2.488 20 0 FEADMM Cc1nc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc2F)no1 ZINC000436951187 559957337 /nfs/dbraw/zinc/95/73/37/559957337.db2.gz DZXMVPVFNYSGOU-OAHLLOKOSA-N -1 1 355.325 2.311 20 0 FEADMM COc1cc(F)ccc1N1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436996960 559959018 /nfs/dbraw/zinc/95/90/18/559959018.db2.gz DRKRDQWNEWIGEU-UHFFFAOYSA-N -1 1 358.369 2.071 20 0 FEADMM CN1C(=O)C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000436994144 559959063 /nfs/dbraw/zinc/95/90/63/559959063.db2.gz KJXWWROWHYHPOQ-RDJZCZTQSA-N -1 1 372.808 2.317 20 0 FEADMM O=C(N[C@H](CO)c1cccc(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000436995430 559959091 /nfs/dbraw/zinc/95/90/91/559959091.db2.gz DABJEZGFJYEOBH-CQSZACIVSA-N -1 1 364.195 2.187 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)ccc1F ZINC000436999489 559959168 /nfs/dbraw/zinc/95/91/68/559959168.db2.gz FNWGAOZVOFZXKY-UHFFFAOYSA-N -1 1 355.343 2.347 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1 ZINC000437398849 559964166 /nfs/dbraw/zinc/96/41/66/559964166.db2.gz YAERUDMBMXPCBO-UHFFFAOYSA-N -1 1 351.403 2.167 20 0 FEADMM COC[C@@H](C)Nc1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000437585792 559966471 /nfs/dbraw/zinc/96/64/71/559966471.db2.gz AWRCEFVWWGXCHZ-LLVKDONJSA-N -1 1 355.398 2.373 20 0 FEADMM CCCOc1ccc(CC(=O)NC(C)(C)c2nn[n-]n2)cc1OCCC ZINC000438034819 559973216 /nfs/dbraw/zinc/97/32/16/559973216.db2.gz BSVHCODPARPHSZ-UHFFFAOYSA-N -1 1 361.446 2.371 20 0 FEADMM COc1cnccc1[C@@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000438604490 559981292 /nfs/dbraw/zinc/98/12/92/559981292.db2.gz NCHNRQFKVVLWOV-SNVBAGLBSA-N -1 1 362.455 2.426 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000438813524 559984112 /nfs/dbraw/zinc/98/41/12/559984112.db2.gz UFHNURPZVZIVSH-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@H](OC)C[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000441639581 560036775 /nfs/dbraw/zinc/03/67/75/560036775.db2.gz UPTRBUIOXJGQPO-YPMHNXCESA-N -1 1 371.459 2.098 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)CCn3c(C)cc(O)cc3=O)[nH][n-]2)s1 ZINC000442123740 560044436 /nfs/dbraw/zinc/04/44/36/560044436.db2.gz YREXIVCGNXAKRH-UHFFFAOYSA-N -1 1 358.423 2.651 20 0 FEADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442763429 560056634 /nfs/dbraw/zinc/05/66/34/560056634.db2.gz RWLHGIXRSTZZOJ-SNVBAGLBSA-N -1 1 366.386 2.482 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)Cc1cc(C)cc(C)c1 ZINC000442812973 560058208 /nfs/dbraw/zinc/05/82/08/560058208.db2.gz SDSIKPNXGZHVNA-ZDUSSCGKSA-N -1 1 365.455 2.113 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442824774 560058637 /nfs/dbraw/zinc/05/86/37/560058637.db2.gz GLOLGWNDLXEPPV-UHFFFAOYSA-N -1 1 366.420 2.142 20 0 FEADMM COc1cc(C(=O)NCCCc2nnc3ccccn32)cc(Cl)c1[O-] ZINC000442945723 560063055 /nfs/dbraw/zinc/06/30/55/560063055.db2.gz XHHFBJHUKKMAQL-UHFFFAOYSA-N -1 1 360.801 2.460 20 0 FEADMM COc1cc(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000443110638 560071071 /nfs/dbraw/zinc/07/10/71/560071071.db2.gz BORYPBAQYWDGNE-CYBMUJFWSA-N -1 1 352.749 2.150 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(OCC(=O)OC)c2)c1 ZINC000443402564 560082968 /nfs/dbraw/zinc/08/29/68/560082968.db2.gz ZOKNZMJYSXWADR-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM Cn1ccc2c([N-]S(=O)(=O)c3ccc4c(c3)COC4)cccc2c1=O ZINC000443534259 560086591 /nfs/dbraw/zinc/08/65/91/560086591.db2.gz YWGQODIGZYLJBD-UHFFFAOYSA-N -1 1 356.403 2.370 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C)cc(OC)c2)o1 ZINC000443787918 560092790 /nfs/dbraw/zinc/09/27/90/560092790.db2.gz HDIYFJYRWLBEAH-UHFFFAOYSA-N -1 1 353.396 2.252 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCOC[C@H]2C)c1 ZINC000444337557 560110132 /nfs/dbraw/zinc/11/01/32/560110132.db2.gz BZTGNOVQLILCFF-OCCSQVGLSA-N -1 1 370.471 2.034 20 0 FEADMM Cn1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1=O ZINC000444362480 560111566 /nfs/dbraw/zinc/11/15/66/560111566.db2.gz GJRBWJAUOROCGT-UHFFFAOYSA-N -1 1 369.421 2.406 20 0 FEADMM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1nncs1 ZINC000444373318 560112293 /nfs/dbraw/zinc/11/22/93/560112293.db2.gz USFIFSYDZOXOLK-UHFFFAOYSA-N -1 1 365.212 2.419 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc4c3CCC4)CC2)n1 ZINC000444656434 560117669 /nfs/dbraw/zinc/11/76/69/560117669.db2.gz FQBNVGKESAPPRE-UHFFFAOYSA-N -1 1 368.437 2.490 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1F ZINC000446149570 560140827 /nfs/dbraw/zinc/14/08/27/560140827.db2.gz MPSGJIBXYFTCKY-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)[nH]n2)o1 ZINC000446636408 560148831 /nfs/dbraw/zinc/14/88/31/560148831.db2.gz FTLRCJKRPNXBNV-UHFFFAOYSA-N -1 1 372.410 2.369 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1cccc(N2CC[NH+]=C2[O-])c1C ZINC000447260023 560158890 /nfs/dbraw/zinc/15/88/90/560158890.db2.gz IYGCNBLXTBBUCV-UHFFFAOYSA-N -1 1 367.452 2.396 20 0 FEADMM CCCCNC(=O)[C@@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447478649 560163014 /nfs/dbraw/zinc/16/30/14/560163014.db2.gz GBKVRSBMNOAJJC-LLVKDONJSA-N -1 1 353.419 2.294 20 0 FEADMM CCCCNC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447478649 560163015 /nfs/dbraw/zinc/16/30/15/560163015.db2.gz GBKVRSBMNOAJJC-LLVKDONJSA-N -1 1 353.419 2.294 20 0 FEADMM O=S(=O)(C[C@H]1Cc2ccccc2O1)c1nc(Cc2cccs2)n[n-]1 ZINC000447491174 560163078 /nfs/dbraw/zinc/16/30/78/560163078.db2.gz NZYRSQLBKXRRAB-GFCCVEGCSA-N -1 1 361.448 2.234 20 0 FEADMM O=S(=O)(C[C@H]1Cc2ccccc2O1)c1nnc(Cc2cccs2)[n-]1 ZINC000447491174 560163079 /nfs/dbraw/zinc/16/30/79/560163079.db2.gz NZYRSQLBKXRRAB-GFCCVEGCSA-N -1 1 361.448 2.234 20 0 FEADMM O=S(=O)(C[C@H]1Cc2ccccc2O1)c1n[n-]c(Cc2cccs2)n1 ZINC000447491174 560163080 /nfs/dbraw/zinc/16/30/80/560163080.db2.gz NZYRSQLBKXRRAB-GFCCVEGCSA-N -1 1 361.448 2.234 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccoc3C)c2)n1 ZINC000447671155 560166362 /nfs/dbraw/zinc/16/63/62/560166362.db2.gz LWYONSHEJNNADR-UHFFFAOYSA-N -1 1 354.366 2.480 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3[C@@H](C)C3(F)F)c2)n1 ZINC000447679075 560166703 /nfs/dbraw/zinc/16/67/03/560166703.db2.gz MMLKTVSZZIEECX-SKDRFNHKSA-N -1 1 364.352 2.166 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1noc(C)n1 ZINC000447773956 560168880 /nfs/dbraw/zinc/16/88/80/560168880.db2.gz XPWNBBRSRXFTOJ-INIZCTEOSA-N -1 1 374.422 2.158 20 0 FEADMM CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000448183485 560179940 /nfs/dbraw/zinc/17/99/40/560179940.db2.gz WOROIDQQQPBXEI-INIZCTEOSA-N -1 1 368.499 2.103 20 0 FEADMM C[C@@]1(CCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CCC(=O)N1 ZINC000450701644 560270819 /nfs/dbraw/zinc/27/08/19/560270819.db2.gz XBKHAXAUJWFMTR-MRXNPFEDSA-N -1 1 363.805 2.218 20 0 FEADMM C[C@@]1(CCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CCC(=O)N1 ZINC000450701644 560270820 /nfs/dbraw/zinc/27/08/20/560270820.db2.gz XBKHAXAUJWFMTR-MRXNPFEDSA-N -1 1 363.805 2.218 20 0 FEADMM CC(C)CN(CC(F)(F)F)C(=O)CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450920140 560278715 /nfs/dbraw/zinc/27/87/15/560278715.db2.gz UAETVJRCCQKVLU-UHFFFAOYSA-N -1 1 364.368 2.002 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451356662 560302406 /nfs/dbraw/zinc/30/24/06/560302406.db2.gz RQUGBMKWSOCQLC-VIFPVBQESA-N -1 1 351.302 2.047 20 0 FEADMM CS(=O)(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451570969 560315432 /nfs/dbraw/zinc/31/54/32/560315432.db2.gz AGEGFGWHKBPVHI-NXEZZACHSA-N -1 1 357.906 2.036 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(C)(F)F ZINC000451688777 560321904 /nfs/dbraw/zinc/32/19/04/560321904.db2.gz KKNRIIVNRLKSNA-YPMHNXCESA-N -1 1 352.447 2.131 20 0 FEADMM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000451794196 560328937 /nfs/dbraw/zinc/32/89/37/560328937.db2.gz XCCMEZKEIRXTHW-PELKAZGASA-N -1 1 372.245 2.462 20 0 FEADMM CCN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000451869368 560333506 /nfs/dbraw/zinc/33/35/06/560333506.db2.gz NIKGAMGBTUXKQE-MRVPVSSYSA-N -1 1 355.218 2.032 20 0 FEADMM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000452085952 560350402 /nfs/dbraw/zinc/35/04/02/560350402.db2.gz ABLQAKDJMXVHPY-NXEZZACHSA-N -1 1 355.382 2.065 20 0 FEADMM Cc1ncccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000452642190 560370102 /nfs/dbraw/zinc/37/01/02/560370102.db2.gz GFPZZWIQWXVDGL-UHFFFAOYSA-N -1 1 351.428 2.336 20 0 FEADMM C[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000452708004 560371800 /nfs/dbraw/zinc/37/18/00/560371800.db2.gz KWXMASNKEOWRLP-RDTXWAMCSA-N -1 1 374.462 2.473 20 0 FEADMM COc1ccc(=NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)[n-]n1 ZINC000455240401 560475261 /nfs/dbraw/zinc/47/52/61/560475261.db2.gz CBWDWDBSGGXYPX-UHFFFAOYSA-N -1 1 355.442 2.661 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c1 ZINC000456051862 560505605 /nfs/dbraw/zinc/50/56/05/560505605.db2.gz DVCCBAUFPZRWGB-UHFFFAOYSA-N -1 1 360.410 2.156 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)nc2C2CC2)c1 ZINC000456072767 560506098 /nfs/dbraw/zinc/50/60/98/560506098.db2.gz VITIJHQDZIXUTM-UHFFFAOYSA-N -1 1 361.423 2.133 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C(=O)OC(C)C)C(C)C)c(=O)[n-]1 ZINC000456146530 560508681 /nfs/dbraw/zinc/50/86/81/560508681.db2.gz LBQKIRCTQXEBKS-AWEZNQCLSA-N -1 1 369.487 2.238 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](CO)CC(C)(C)C ZINC000456417756 560519999 /nfs/dbraw/zinc/51/99/99/560519999.db2.gz JPIDRGCDKYDZQK-OAHLLOKOSA-N -1 1 372.469 2.351 20 0 FEADMM O=C(NCCC1(CO)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000456418090 560520008 /nfs/dbraw/zinc/52/00/08/560520008.db2.gz UUFOCOPREGWPDV-UHFFFAOYSA-N -1 1 374.462 2.380 20 0 FEADMM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc([O-])c(F)c2F)no1 ZINC000456792203 560533116 /nfs/dbraw/zinc/53/31/16/560533116.db2.gz HNXIZJUDHQILFD-MRVPVSSYSA-N -1 1 371.365 2.666 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cccc(Cl)c3C2)o1 ZINC000458044101 560600649 /nfs/dbraw/zinc/60/06/49/560600649.db2.gz VSICIUXRRRSSDW-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000460578718 560746511 /nfs/dbraw/zinc/74/65/11/560746511.db2.gz BZOCTLCZSPKLQR-NWDGAFQWSA-N -1 1 358.460 2.044 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000461458967 560772192 /nfs/dbraw/zinc/77/21/92/560772192.db2.gz XKDAFKNMJPPLTC-UHFFFAOYSA-N -1 1 373.434 2.353 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C\c2ccccc2F)c1 ZINC000461456197 560772295 /nfs/dbraw/zinc/77/22/95/560772295.db2.gz IOIIOBRFEFLGPZ-XQRVVYSFSA-N -1 1 364.398 2.481 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2ccc(OC)cc2)c1 ZINC000461462301 560772438 /nfs/dbraw/zinc/77/24/38/560772438.db2.gz INBPWZDUXCKNBN-LLVKDONJSA-N -1 1 364.423 2.051 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000461463229 560772730 /nfs/dbraw/zinc/77/27/30/560772730.db2.gz DOBKRXQSPILVRX-UHFFFAOYSA-N -1 1 374.462 2.360 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000461466027 560772997 /nfs/dbraw/zinc/77/29/97/560772997.db2.gz UEVAHSZGTXGWJF-SECBINFHSA-N -1 1 370.377 2.321 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC12CCC(CC1)C2 ZINC000462090598 560796535 /nfs/dbraw/zinc/79/65/35/560796535.db2.gz VQINFMBQYXIOBR-PQUAAJSLSA-N -1 1 351.468 2.270 20 0 FEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000462098538 560796884 /nfs/dbraw/zinc/79/68/84/560796884.db2.gz CVVHZRRYLAUAOB-UHFFFAOYSA-N -1 1 369.370 2.353 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc3c2OCCO3)o1 ZINC000462326541 560805909 /nfs/dbraw/zinc/80/59/09/560805909.db2.gz LNEBMCSHCRNQCA-CYBMUJFWSA-N -1 1 367.423 2.279 20 0 FEADMM COc1ccccc1C(=O)C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000464197277 560835505 /nfs/dbraw/zinc/83/55/05/560835505.db2.gz IBNAFYYSMJVLJP-UHFFFAOYSA-N -1 1 355.362 2.276 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2c(C)oc3ccccc32)co1 ZINC000464253795 560836990 /nfs/dbraw/zinc/83/69/90/560836990.db2.gz ZYUXFKNIDIRHEU-UHFFFAOYSA-N -1 1 362.407 2.215 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000464347321 560839507 /nfs/dbraw/zinc/83/95/07/560839507.db2.gz ARQZHFDSRRMBCW-HUUCEWRRSA-N -1 1 360.458 2.303 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2CCCS2)cc1[N-]S(C)(=O)=O ZINC000465233401 560861109 /nfs/dbraw/zinc/86/11/09/560861109.db2.gz SVVXVMQKPFFIHP-NSHDSACASA-N -1 1 359.473 2.084 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nnc(C(C)C)s2)c(=O)[n-]1 ZINC000465386365 560864411 /nfs/dbraw/zinc/86/44/11/560864411.db2.gz FPOHXXLJSBCADC-UHFFFAOYSA-N -1 1 367.500 2.436 20 0 FEADMM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000466754808 560894649 /nfs/dbraw/zinc/89/46/49/560894649.db2.gz VRPPMNOHLLKWIU-LBPRGKRZSA-N -1 1 374.256 2.232 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C(C)C)n[nH]3)cc2oc1=O ZINC000467013711 560901405 /nfs/dbraw/zinc/90/14/05/560901405.db2.gz KRNMRDWKNVLURG-UHFFFAOYSA-N -1 1 350.400 2.262 20 0 FEADMM CCc1ccc(C(C)(C)C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000467843396 560918713 /nfs/dbraw/zinc/91/87/13/560918713.db2.gz IGEPFMRTOQREBA-UHFFFAOYSA-N -1 1 359.499 2.309 20 0 FEADMM COc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)cc(Cl)c1[O-] ZINC000468480906 560931144 /nfs/dbraw/zinc/93/11/44/560931144.db2.gz NTVUMBAIWPKWJX-NSHDSACASA-N -1 1 355.818 2.464 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)[C@@H]1CCCOC1 ZINC000469015155 560944735 /nfs/dbraw/zinc/94/47/35/560944735.db2.gz RQOIZCKPVWHTKP-IAGOWNOFSA-N -1 1 369.483 2.027 20 0 FEADMM CCO[C@H](CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C(C)C ZINC000471227598 561000888 /nfs/dbraw/zinc/00/08/88/561000888.db2.gz KEZTXFHGXHBFFD-CQSZACIVSA-N -1 1 358.460 2.456 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)[nH]n1 ZINC000471505529 561005932 /nfs/dbraw/zinc/00/59/32/561005932.db2.gz RBPBVNIYYKXKRH-NSHDSACASA-N -1 1 361.431 2.090 20 0 FEADMM COc1cc(NC(=O)c2cc(C(C)C)n(C)n2)ccc1[N-]S(C)(=O)=O ZINC000472028136 561016318 /nfs/dbraw/zinc/01/63/18/561016318.db2.gz CQFHOPZKDDUALU-UHFFFAOYSA-N -1 1 366.443 2.176 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1 ZINC000472428312 561026314 /nfs/dbraw/zinc/02/63/14/561026314.db2.gz GIKDTZHMXHKNMJ-UHFFFAOYSA-N -1 1 353.444 2.434 20 0 FEADMM C[C@@H]1C[C@H](O)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472998798 561039892 /nfs/dbraw/zinc/03/98/92/561039892.db2.gz ITXFEDBKZGLHRW-CJNGLKHVSA-N -1 1 360.435 2.083 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000473193275 561043943 /nfs/dbraw/zinc/04/39/43/561043943.db2.gz DTBMRUAJFZCZFN-LLVKDONJSA-N -1 1 366.377 2.449 20 0 FEADMM COCCOC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473851119 561059087 /nfs/dbraw/zinc/05/90/87/561059087.db2.gz ATSKUHLWLQCZQI-QMMMGPOBSA-N -1 1 360.234 2.462 20 0 FEADMM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C1CCCC1 ZINC000474191698 561067970 /nfs/dbraw/zinc/06/79/70/561067970.db2.gz AEDKYWZSURDVKP-CYBMUJFWSA-N -1 1 359.444 2.330 20 0 FEADMM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(-c2ccccc2)no1 ZINC000474777565 561082566 /nfs/dbraw/zinc/08/25/66/561082566.db2.gz WNZBZQUHVRUKFP-UHFFFAOYSA-N -1 1 369.333 2.495 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C ZINC000476403773 561118454 /nfs/dbraw/zinc/11/84/54/561118454.db2.gz ILWKWTYXTFGEQZ-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM Cc1cc(Br)cc2cc(C(=O)NC3(c4nn[n-]n4)CC3)oc21 ZINC000477024761 561134605 /nfs/dbraw/zinc/13/46/05/561134605.db2.gz LPVBWGQSJXJIAP-UHFFFAOYSA-N -1 1 362.187 2.436 20 0 FEADMM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477044460 561135214 /nfs/dbraw/zinc/13/52/14/561135214.db2.gz PDINIFWRUXBLMS-QMMMGPOBSA-N -1 1 368.210 2.085 20 0 FEADMM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477055070 561135325 /nfs/dbraw/zinc/13/53/25/561135325.db2.gz HJNSPADYMPKLKO-GFCCVEGCSA-N -1 1 364.409 2.163 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](OC)[C@@H](C)CC)c2)n1 ZINC000477122925 561137330 /nfs/dbraw/zinc/13/73/30/561137330.db2.gz CTXBEXMJNPJQQW-WFASDCNBSA-N -1 1 374.441 2.326 20 0 FEADMM N=c1nc(N2CCN(C(=O)Cc3cc(Cl)cc(Cl)c3)CC2)s[n-]1 ZINC000528814899 562349137 /nfs/dbraw/zinc/34/91/37/562349137.db2.gz PUEQSXAHFYPISS-UHFFFAOYSA-N -1 1 372.281 2.318 20 0 FEADMM CC(C)c1nocc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000528952334 562354187 /nfs/dbraw/zinc/35/41/87/562354187.db2.gz CUHJQEJKJFWONO-UHFFFAOYSA-N -1 1 365.411 2.197 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cnn(C2CC2)c1 ZINC000529046952 562357804 /nfs/dbraw/zinc/35/78/04/562357804.db2.gz YHIKSMTVYUMDRL-CYBMUJFWSA-N -1 1 361.768 2.043 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2CCc3ccccc3CC2)o1 ZINC000529611973 562378804 /nfs/dbraw/zinc/37/88/04/562378804.db2.gz UCVUDIGXRIAQGO-UHFFFAOYSA-N -1 1 362.451 2.113 20 0 FEADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000530007268 562394216 /nfs/dbraw/zinc/39/42/16/562394216.db2.gz SWISZZUISNAOHA-LBPRGKRZSA-N -1 1 370.427 2.385 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000530171841 562401320 /nfs/dbraw/zinc/40/13/20/562401320.db2.gz HBXAMVRRUMQENK-OAQYLSRUSA-N -1 1 372.465 2.169 20 0 FEADMM COc1ccc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C2CC2)cn1 ZINC000530208722 562402674 /nfs/dbraw/zinc/40/26/74/562402674.db2.gz QKSVTECAMSPHHT-MRXNPFEDSA-N -1 1 350.378 2.208 20 0 FEADMM CC1(C)Cc2cccc(NC(=O)N3CCN(c4nc(=N)[n-]s4)CC3)c2O1 ZINC000530503642 562413675 /nfs/dbraw/zinc/41/36/75/562413675.db2.gz IUCDPHJTZYFWQT-UHFFFAOYSA-N -1 1 374.470 2.188 20 0 FEADMM COc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3nn[n-]n3)s2)cc1 ZINC000530859924 562426543 /nfs/dbraw/zinc/42/65/43/562426543.db2.gz ZJEDAKWDYPEZOE-UHFFFAOYSA-N -1 1 358.427 2.305 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)on1 ZINC000530967039 562430252 /nfs/dbraw/zinc/43/02/52/562430252.db2.gz SGDICUIIARZZJT-GFCCVEGCSA-N -1 1 362.411 2.137 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000531010340 562431907 /nfs/dbraw/zinc/43/19/07/562431907.db2.gz ZAIRMZOXYOUSEX-KGLIPLIRSA-N -1 1 350.440 2.358 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)n(C)c2)cc1C ZINC000531233687 562438938 /nfs/dbraw/zinc/43/89/38/562438938.db2.gz CRMBSWRSJBSASM-UHFFFAOYSA-N -1 1 352.412 2.320 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000531434454 562446076 /nfs/dbraw/zinc/44/60/76/562446076.db2.gz ZQIZFKABHCDMBP-GOSISDBHSA-N -1 1 373.434 2.104 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cncc([O-])c1 ZINC000531468997 562447016 /nfs/dbraw/zinc/44/70/16/562447016.db2.gz WBTXWDHGDISNPX-GFCCVEGCSA-N -1 1 365.311 2.341 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000532266784 562472079 /nfs/dbraw/zinc/47/20/79/562472079.db2.gz SGEREKNAPXYPQT-ZDUSSCGKSA-N -1 1 372.352 2.294 20 0 FEADMM CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc21 ZINC000532266727 562472182 /nfs/dbraw/zinc/47/21/82/562472182.db2.gz VTVGMMQABGENSD-UHFFFAOYSA-N -1 1 364.398 2.496 20 0 FEADMM O=C([O-])C1(NCC(=O)NCc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000532711707 562486434 /nfs/dbraw/zinc/48/64/34/562486434.db2.gz HXBOJUNKPRNSSM-UHFFFAOYSA-N -1 1 360.332 2.188 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)c(=O)[n-]1 ZINC000533364900 562506457 /nfs/dbraw/zinc/50/64/57/562506457.db2.gz MBMASPPPZNKFPR-KBPBESRZSA-N -1 1 365.499 2.420 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c1 ZINC000533580115 562513704 /nfs/dbraw/zinc/51/37/04/562513704.db2.gz RNYAAQUWMXJAEN-UHFFFAOYSA-N -1 1 355.437 2.485 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000533625768 562514652 /nfs/dbraw/zinc/51/46/52/562514652.db2.gz SMFATDYDHRYUHA-UHFFFAOYSA-N -1 1 362.194 2.470 20 0 FEADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc([S@](C)=O)cc1 ZINC000534389584 562533195 /nfs/dbraw/zinc/53/31/95/562533195.db2.gz GIVUGRUPZBZDTD-NDHGSNPTSA-N -1 1 355.419 2.152 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000534403459 562533423 /nfs/dbraw/zinc/53/34/23/562533423.db2.gz ZASXHXDWRWDTHK-NSHDSACASA-N -1 1 356.444 2.068 20 0 FEADMM CC[C@@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@H]1CCCO1 ZINC000535216010 562553340 /nfs/dbraw/zinc/55/33/40/562553340.db2.gz LTHBKKDZTKWTDF-TZMCWYRMSA-N -1 1 371.459 2.146 20 0 FEADMM CN(CC(=O)Nc1ccccc1Br)C(=O)c1cncc([O-])c1 ZINC000536062372 562572162 /nfs/dbraw/zinc/57/21/62/562572162.db2.gz GXVOSHJTYGMEHL-UHFFFAOYSA-N -1 1 364.199 2.260 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000540804864 562593541 /nfs/dbraw/zinc/59/35/41/562593541.db2.gz QZORRKBZBXCPBE-LBPRGKRZSA-N -1 1 364.448 2.258 20 0 FEADMM CCN(CC)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000541312395 562608818 /nfs/dbraw/zinc/60/88/18/562608818.db2.gz KKBLRSLUSSAKRK-GFCCVEGCSA-N -1 1 369.270 2.384 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCNc1ccccc1F ZINC000541527195 562614362 /nfs/dbraw/zinc/61/43/62/562614362.db2.gz QXCXWJDEOWHZQK-UHFFFAOYSA-N -1 1 371.416 2.352 20 0 FEADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(=O)n3[n-]cnc3n2)o1 ZINC000541836874 562621149 /nfs/dbraw/zinc/62/11/49/562621149.db2.gz XMZXVSRCBZVFGL-FZMZJTMJSA-N -1 1 355.398 2.186 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CN1c1ccccc1 ZINC000545827372 562630871 /nfs/dbraw/zinc/63/08/71/562630871.db2.gz LEFAOJWGXQNBKN-OAHLLOKOSA-N -1 1 368.817 2.314 20 0 FEADMM Cn1c2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2nc1C(F)F ZINC000545984682 562632341 /nfs/dbraw/zinc/63/23/41/562632341.db2.gz LWPDZUFVYINGHI-SNVBAGLBSA-N -1 1 361.356 2.044 20 0 FEADMM O=C(c1cccc(Oc2cnccn2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550100800 562642439 /nfs/dbraw/zinc/64/24/39/562642439.db2.gz FZKKJBOFLFEQCV-UHFFFAOYSA-N -1 1 367.365 2.377 20 0 FEADMM CCOc1ncc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1Cl ZINC000602324232 567967512 /nfs/dbraw/zinc/96/75/12/567967512.db2.gz CGVGJSRMINNDAP-ZDUSSCGKSA-N -1 1 358.789 2.166 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cc(C)sc2Br)n[n-]1 ZINC000603013668 568047747 /nfs/dbraw/zinc/04/77/47/568047747.db2.gz DKUMVMFDMJRZFN-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(C)sc2Br)n1 ZINC000603013668 568047749 /nfs/dbraw/zinc/04/77/49/568047749.db2.gz DKUMVMFDMJRZFN-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)Cc2cc(Cl)cc(Cl)c2)n[n-]1 ZINC000603019709 568052298 /nfs/dbraw/zinc/05/22/98/568052298.db2.gz CSQVBLPFBXZYLF-UHFFFAOYSA-N -1 1 357.197 2.147 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000603019709 568052299 /nfs/dbraw/zinc/05/22/99/568052299.db2.gz CSQVBLPFBXZYLF-UHFFFAOYSA-N -1 1 357.197 2.147 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n[n-]1 ZINC000603159428 568069180 /nfs/dbraw/zinc/06/91/80/568069180.db2.gz BRPHLAYBSFVQNG-IVZWLZJFSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[n-]1 ZINC000603159428 568069181 /nfs/dbraw/zinc/06/91/81/568069181.db2.gz BRPHLAYBSFVQNG-IVZWLZJFSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000603159428 568069182 /nfs/dbraw/zinc/06/91/82/568069182.db2.gz BRPHLAYBSFVQNG-IVZWLZJFSA-N -1 1 364.352 2.241 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)cc1F ZINC000603416493 568098650 /nfs/dbraw/zinc/09/86/50/568098650.db2.gz GURBJDIRFZIMFZ-LSDHHAIUSA-N -1 1 359.419 2.241 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000603546260 568117855 /nfs/dbraw/zinc/11/78/55/568117855.db2.gz JTFVXSXYNDSOFB-BONVTDFDSA-N -1 1 359.336 2.151 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000563122230 568223216 /nfs/dbraw/zinc/22/32/16/568223216.db2.gz APFDYQIKRHNHGI-GOEBONIOSA-N -1 1 350.484 2.246 20 0 FEADMM Cn1cc(N2CCC[C@@H](NC(=O)c3ncc4ccccc4c3[O-])C2)cn1 ZINC000669179887 568289848 /nfs/dbraw/zinc/28/98/48/568289848.db2.gz BXEHSFWMPLXZBZ-CQSZACIVSA-N -1 1 351.410 2.073 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000563142270 568296290 /nfs/dbraw/zinc/29/62/90/568296290.db2.gz OFMNKZJSKWQZSN-UHFFFAOYSA-N -1 1 353.422 2.385 20 0 FEADMM O=C(CSCc1ccc(F)cc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000604513229 568306715 /nfs/dbraw/zinc/30/67/15/568306715.db2.gz MDEZFJYVDVVBAE-MRXNPFEDSA-N -1 1 357.414 2.478 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737186120 598841798 /nfs/dbraw/zinc/84/17/98/598841798.db2.gz HHINTFJTJUBVKN-VDDIYKPWSA-N -1 1 362.459 2.244 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1C=CCCC1 ZINC000737487382 598844452 /nfs/dbraw/zinc/84/44/52/598844452.db2.gz IDURGLQCGIYCCU-ZDUSSCGKSA-N -1 1 367.413 2.111 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1C=CCCC1 ZINC000737487382 598844454 /nfs/dbraw/zinc/84/44/54/598844454.db2.gz IDURGLQCGIYCCU-ZDUSSCGKSA-N -1 1 367.413 2.111 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccon2)c1-c1nn[n-]n1 ZINC000737189356 598849997 /nfs/dbraw/zinc/84/99/97/598849997.db2.gz LKICUYWNLSFUMC-UHFFFAOYSA-N -1 1 371.426 2.121 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1Cc2ccccc2C1 ZINC000738356162 598875075 /nfs/dbraw/zinc/87/50/75/598875075.db2.gz ZJIUCOJSCFSYFN-UHFFFAOYSA-N -1 1 361.814 2.225 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1Cc2ccccc2C1 ZINC000738356162 598875076 /nfs/dbraw/zinc/87/50/76/598875076.db2.gz ZJIUCOJSCFSYFN-UHFFFAOYSA-N -1 1 361.814 2.225 20 0 FEADMM CSCCCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000737182526 598902253 /nfs/dbraw/zinc/90/22/53/598902253.db2.gz PADUAUFUOLZRPD-UHFFFAOYSA-N -1 1 367.431 2.092 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000736135568 598940783 /nfs/dbraw/zinc/94/07/83/598940783.db2.gz BLQSHIJNURZGOD-HTQZYQBOSA-N -1 1 355.855 2.178 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000736135568 598940785 /nfs/dbraw/zinc/94/07/85/598940785.db2.gz BLQSHIJNURZGOD-HTQZYQBOSA-N -1 1 355.855 2.178 20 0 FEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021745 598941728 /nfs/dbraw/zinc/94/17/28/598941728.db2.gz PXVAZHATDUDPJK-NOZJJQNGSA-N -1 1 358.764 2.340 20 0 FEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021745 598941730 /nfs/dbraw/zinc/94/17/30/598941730.db2.gz PXVAZHATDUDPJK-NOZJJQNGSA-N -1 1 358.764 2.340 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000736472801 598945553 /nfs/dbraw/zinc/94/55/53/598945553.db2.gz SIWPHWGWEAFKIH-LSDHHAIUSA-N -1 1 358.446 2.318 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000736472801 598945554 /nfs/dbraw/zinc/94/55/54/598945554.db2.gz SIWPHWGWEAFKIH-LSDHHAIUSA-N -1 1 358.446 2.318 20 0 FEADMM OC[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccccc1 ZINC000738388218 598958805 /nfs/dbraw/zinc/95/88/05/598958805.db2.gz CZHSKLBZWGODNK-CQSZACIVSA-N -1 1 361.409 2.073 20 0 FEADMM OC[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccccc1 ZINC000738388218 598958809 /nfs/dbraw/zinc/95/88/09/598958809.db2.gz CZHSKLBZWGODNK-CQSZACIVSA-N -1 1 361.409 2.073 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738380118 598962029 /nfs/dbraw/zinc/96/20/29/598962029.db2.gz AEMXRCNGKGEOIR-AWEZNQCLSA-N -1 1 351.345 2.095 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738380118 598962031 /nfs/dbraw/zinc/96/20/31/598962031.db2.gz AEMXRCNGKGEOIR-AWEZNQCLSA-N -1 1 351.345 2.095 20 0 FEADMM CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736868151 598964874 /nfs/dbraw/zinc/96/48/74/598964874.db2.gz PPDNZBHJRKBVKY-UHFFFAOYSA-N -1 1 358.409 2.266 20 0 FEADMM CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736868151 598964875 /nfs/dbraw/zinc/96/48/75/598964875.db2.gz PPDNZBHJRKBVKY-UHFFFAOYSA-N -1 1 358.409 2.266 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)cnc2n1 ZINC000737371550 598964977 /nfs/dbraw/zinc/96/49/77/598964977.db2.gz GQOJGIGEARYHGA-UHFFFAOYSA-N -1 1 365.328 2.215 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736292542 598970791 /nfs/dbraw/zinc/97/07/91/598970791.db2.gz KLAVSRUZIOJSQC-NEPJUHHUSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736292542 598970792 /nfs/dbraw/zinc/97/07/92/598970792.db2.gz KLAVSRUZIOJSQC-NEPJUHHUSA-N -1 1 359.434 2.001 20 0 FEADMM O=C(Nc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192379 598986005 /nfs/dbraw/zinc/98/60/05/598986005.db2.gz ZTCDNDJIBWUNML-UHFFFAOYSA-N -1 1 350.260 2.413 20 0 FEADMM O=C(Nc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192379 598986007 /nfs/dbraw/zinc/98/60/07/598986007.db2.gz ZTCDNDJIBWUNML-UHFFFAOYSA-N -1 1 350.260 2.413 20 0 FEADMM CC(C)C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735795554 599007560 /nfs/dbraw/zinc/00/75/60/599007560.db2.gz OKNSPLZUORJLMO-ZDUSSCGKSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735795554 599007558 /nfs/dbraw/zinc/00/75/58/599007558.db2.gz OKNSPLZUORJLMO-ZDUSSCGKSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735888796 599020771 /nfs/dbraw/zinc/02/07/71/599020771.db2.gz RDFYLGJLJOGJMX-UHFFFAOYSA-N -1 1 366.385 2.044 20 0 FEADMM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735888796 599020773 /nfs/dbraw/zinc/02/07/73/599020773.db2.gz RDFYLGJLJOGJMX-UHFFFAOYSA-N -1 1 366.385 2.044 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000566229574 675196537 /nfs/dbraw/zinc/19/65/37/675196537.db2.gz HKRYXQXEUUGQIE-INIZCTEOSA-N -1 1 371.455 2.176 20 0 FEADMM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)nn1 ZINC000737365541 599087355 /nfs/dbraw/zinc/08/73/55/599087355.db2.gz IIHPTAMYNOEGNI-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)nn1 ZINC000737365541 599087358 /nfs/dbraw/zinc/08/73/58/599087358.db2.gz IIHPTAMYNOEGNI-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000737355857 599135018 /nfs/dbraw/zinc/13/50/18/599135018.db2.gz ADPBMZZECMMFNJ-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737355857 599135019 /nfs/dbraw/zinc/13/50/19/599135019.db2.gz ADPBMZZECMMFNJ-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000676233073 597071749 /nfs/dbraw/zinc/07/17/49/597071749.db2.gz NCTRHSNADRFZGF-KGLIPLIRSA-N -1 1 364.442 2.068 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)C2CC2)cc1 ZINC000818583047 597084090 /nfs/dbraw/zinc/08/40/90/597084090.db2.gz PDDNQPITPSKMJZ-XOBRGWDASA-N -1 1 360.454 2.449 20 0 FEADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000737565117 597792747 /nfs/dbraw/zinc/79/27/47/597792747.db2.gz DARZPWNRMGLZOK-CQSZACIVSA-N -1 1 351.422 2.025 20 0 FEADMM C[C@H]1CCN(C(=O)CCOCC2CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807708878 674425153 /nfs/dbraw/zinc/42/51/53/674425153.db2.gz UPJNACOPXOBOCM-MJVIPROJSA-N -1 1 350.381 2.107 20 0 FEADMM Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737425149 598267984 /nfs/dbraw/zinc/26/79/84/598267984.db2.gz ZCQWAEKDGQYJGG-INIZCTEOSA-N -1 1 370.438 2.096 20 0 FEADMM Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737425149 598267985 /nfs/dbraw/zinc/26/79/85/598267985.db2.gz ZCQWAEKDGQYJGG-INIZCTEOSA-N -1 1 370.438 2.096 20 0 FEADMM CCC1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736397415 598286315 /nfs/dbraw/zinc/28/63/15/598286315.db2.gz TZBKCVMVAQIBIQ-UHFFFAOYSA-N -1 1 362.459 2.342 20 0 FEADMM CCOC(CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)OCC ZINC000807802148 674430469 /nfs/dbraw/zinc/43/04/69/674430469.db2.gz CUJUSUKZFUQMMV-MJVIPROJSA-N -1 1 368.396 2.080 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)no1 ZINC000557091720 674436034 /nfs/dbraw/zinc/43/60/34/674436034.db2.gz HAHAWAYMYKSRRY-AWEZNQCLSA-N -1 1 364.814 2.494 20 0 FEADMM CCc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736701373 598503634 /nfs/dbraw/zinc/50/36/34/598503634.db2.gz ARKOGWHCPRACGY-UHFFFAOYSA-N -1 1 374.404 2.383 20 0 FEADMM CC(C)CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735798692 598525476 /nfs/dbraw/zinc/52/54/76/598525476.db2.gz YCGOCDXISFZHQM-OCCSQVGLSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735798692 598525478 /nfs/dbraw/zinc/52/54/78/598525478.db2.gz YCGOCDXISFZHQM-OCCSQVGLSA-N -1 1 364.475 2.145 20 0 FEADMM CSC[C@H](C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000737180072 598563867 /nfs/dbraw/zinc/56/38/67/598563867.db2.gz ONPAORQZONKHEM-NSHDSACASA-N -1 1 372.454 2.403 20 0 FEADMM Cc1csc([C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)n1 ZINC000737452425 598672162 /nfs/dbraw/zinc/67/21/62/598672162.db2.gz JRONGJOXUKRFIL-SSDOTTSWSA-N -1 1 369.863 2.319 20 0 FEADMM Cc1csc([C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)n1 ZINC000737452425 598672164 /nfs/dbraw/zinc/67/21/64/598672164.db2.gz JRONGJOXUKRFIL-SSDOTTSWSA-N -1 1 369.863 2.319 20 0 FEADMM CCCc1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000736499535 598720732 /nfs/dbraw/zinc/72/07/32/598720732.db2.gz GQEMSZIOZFLWAC-UHFFFAOYSA-N -1 1 371.788 2.219 20 0 FEADMM O=S(=O)([N-][C@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1F ZINC000808350634 674455508 /nfs/dbraw/zinc/45/55/08/674455508.db2.gz CFSRHLVSAWZEGW-SWLSCSKDSA-N -1 1 357.790 2.252 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C3CC3)cc2F)o1 ZINC000557332071 674445237 /nfs/dbraw/zinc/44/52/37/674445237.db2.gz CRWNZBZCWHWLBN-UHFFFAOYSA-N -1 1 352.387 2.134 20 0 FEADMM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000557583032 674455369 /nfs/dbraw/zinc/45/53/69/674455369.db2.gz RYAUAIXXJHBFDK-YPMHNXCESA-N -1 1 369.259 2.090 20 0 FEADMM CC(C)OC(=O)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735894389 598795200 /nfs/dbraw/zinc/79/52/00/598795200.db2.gz IFHNSINIIPOLFL-UHFFFAOYSA-N -1 1 365.825 2.336 20 0 FEADMM CC(C)OC(=O)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735894389 598795201 /nfs/dbraw/zinc/79/52/01/598795201.db2.gz IFHNSINIIPOLFL-UHFFFAOYSA-N -1 1 365.825 2.336 20 0 FEADMM Cc1nc(C)n([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000737474893 599296980 /nfs/dbraw/zinc/29/69/80/599296980.db2.gz XOFZEUNGJQSZNT-VIFPVBQESA-N -1 1 365.854 2.026 20 0 FEADMM Cc1nc(C)n([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000737474893 599296983 /nfs/dbraw/zinc/29/69/83/599296983.db2.gz XOFZEUNGJQSZNT-VIFPVBQESA-N -1 1 365.854 2.026 20 0 FEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1C(F)(F)F ZINC000819765800 599317357 /nfs/dbraw/zinc/31/73/57/599317357.db2.gz RPUGJKACCMHNQA-SOFGYWHQSA-N -1 1 363.303 2.408 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1C1CCCC1 ZINC000823607352 599341292 /nfs/dbraw/zinc/34/12/92/599341292.db2.gz SEWMUQWQHACPAW-ZDUSSCGKSA-N -1 1 365.434 2.349 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1C1CCCC1 ZINC000823607352 599341295 /nfs/dbraw/zinc/34/12/95/599341295.db2.gz SEWMUQWQHACPAW-ZDUSSCGKSA-N -1 1 365.434 2.349 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1C1CC1 ZINC000823601152 599343621 /nfs/dbraw/zinc/34/36/21/599343621.db2.gz UDSVCBWDIYIKOJ-LBPRGKRZSA-N -1 1 353.835 2.083 20 0 FEADMM CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736602867 599384673 /nfs/dbraw/zinc/38/46/73/599384673.db2.gz PBIGIOUOLTUHNU-UHFFFAOYSA-N -1 1 366.381 2.105 20 0 FEADMM CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736602867 599384675 /nfs/dbraw/zinc/38/46/75/599384675.db2.gz PBIGIOUOLTUHNU-UHFFFAOYSA-N -1 1 366.381 2.105 20 0 FEADMM CCCCNC(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736460399 599409360 /nfs/dbraw/zinc/40/93/60/599409360.db2.gz GQZAJZMOOWUXHS-UHFFFAOYSA-N -1 1 351.414 2.404 20 0 FEADMM CCCCNC(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736460399 599409363 /nfs/dbraw/zinc/40/93/63/599409363.db2.gz GQZAJZMOOWUXHS-UHFFFAOYSA-N -1 1 351.414 2.404 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821977579 599450323 /nfs/dbraw/zinc/45/03/23/599450323.db2.gz IBKFNRPTUNDNSM-ZWNOBZJWSA-N -1 1 374.470 2.388 20 0 FEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736235913 599468504 /nfs/dbraw/zinc/46/85/04/599468504.db2.gz PVPFTCHPLQLTDJ-SMDDNHRTSA-N -1 1 352.373 2.419 20 0 FEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736235913 599468505 /nfs/dbraw/zinc/46/85/05/599468505.db2.gz PVPFTCHPLQLTDJ-SMDDNHRTSA-N -1 1 352.373 2.419 20 0 FEADMM O=C1CCCN1C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823530651 599530212 /nfs/dbraw/zinc/53/02/12/599530212.db2.gz OFTSWNKPYZMRGU-UHFFFAOYSA-N -1 1 363.425 2.006 20 0 FEADMM O=C1CCCN1C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823530651 599530214 /nfs/dbraw/zinc/53/02/14/599530214.db2.gz OFTSWNKPYZMRGU-UHFFFAOYSA-N -1 1 363.425 2.006 20 0 FEADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736054789 599604002 /nfs/dbraw/zinc/60/40/02/599604002.db2.gz AAELMXOKJRKSTJ-MRVPVSSYSA-N -1 1 365.319 2.183 20 0 FEADMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557812556 674468095 /nfs/dbraw/zinc/46/80/95/674468095.db2.gz XFQDAWKDJBKJOP-UHFFFAOYSA-N -1 1 373.324 2.344 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000632287583 676985864 /nfs/dbraw/zinc/98/58/64/676985864.db2.gz NZYUKHCMNWEBFP-LBPRGKRZSA-N -1 1 354.369 2.285 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)s1 ZINC000740172565 599775998 /nfs/dbraw/zinc/77/59/98/599775998.db2.gz FJLWUJYHNYWDFE-GFCCVEGCSA-N -1 1 358.485 2.085 20 0 FEADMM CCC1CCC2(CC1)NC(=O)N(CN1CCCC[C@H]1CC(=O)[O-])C2=O ZINC000736939817 599841203 /nfs/dbraw/zinc/84/12/03/599841203.db2.gz HWKXGOCLOSFGAE-FVRSWCFKSA-N -1 1 351.447 2.164 20 0 FEADMM Cc1ccnc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000037300659 599882915 /nfs/dbraw/zinc/88/29/15/599882915.db2.gz VKIHIXFHUUUZLZ-UHFFFAOYSA-N -1 1 371.212 2.652 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000736652873 599884325 /nfs/dbraw/zinc/88/43/25/599884325.db2.gz OOEKSNKDUHCYKZ-ZBEGNZNMSA-N -1 1 367.361 2.050 20 0 FEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000736366140 599899274 /nfs/dbraw/zinc/89/92/74/599899274.db2.gz BATTZFLFNGSPNM-OAHLLOKOSA-N -1 1 369.506 2.209 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C)c1 ZINC000737687656 599925868 /nfs/dbraw/zinc/92/58/68/599925868.db2.gz GJUGHBSYSJQBOG-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCn1ccnc1CN1CCCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000737302394 599965902 /nfs/dbraw/zinc/96/59/02/599965902.db2.gz FWSWXWPKTOGTBB-UHFFFAOYSA-N -1 1 360.433 2.448 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1[nH]nc2c1CCCC2 ZINC000738524042 600087530 /nfs/dbraw/zinc/08/75/30/600087530.db2.gz AEAVMNCDDYOUTB-NSHDSACASA-N -1 1 371.393 2.479 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(OC)c1 ZINC000738041042 600092893 /nfs/dbraw/zinc/09/28/93/600092893.db2.gz FNSPAAAXLTWWJY-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM Cc1cccnc1NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000037300661 600101828 /nfs/dbraw/zinc/10/18/28/600101828.db2.gz NCRWHUHLIJFIAO-UHFFFAOYSA-N -1 1 371.212 2.652 20 0 FEADMM CCC[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1C(=O)OC)C(=O)[O-] ZINC000736963601 600151475 /nfs/dbraw/zinc/15/14/75/600151475.db2.gz JOTWZUPADQCIBO-MRXNPFEDSA-N -1 1 356.444 2.323 20 0 FEADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)nc2)c1 ZINC000737654380 600169190 /nfs/dbraw/zinc/16/91/90/600169190.db2.gz OYMYTHQTGGYHAM-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM O=C([O-])c1ccc(NC(=O)CSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000738475366 600274829 /nfs/dbraw/zinc/27/48/29/600274829.db2.gz FVJQABLJNVOAGL-UHFFFAOYSA-N -1 1 355.379 2.296 20 0 FEADMM CN(C)[C@@H](CNC(=O)Nc1nnc(CCC(=O)[O-])s1)c1cccs1 ZINC000737358809 600290714 /nfs/dbraw/zinc/29/07/14/600290714.db2.gz QRBPTEOTSOQKBS-VIFPVBQESA-N -1 1 369.472 2.041 20 0 FEADMM Cc1ccnc(NC[C@@H]2CCN(Cc3noc(CCCC(=O)[O-])n3)C2)c1 ZINC000738798376 600296031 /nfs/dbraw/zinc/29/60/31/600296031.db2.gz OWRLPXDGCCXFSH-AWEZNQCLSA-N -1 1 359.430 2.114 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738120136 600298429 /nfs/dbraw/zinc/29/84/29/600298429.db2.gz LOEDHNPNCGJYCS-SQWLQELKSA-N -1 1 360.454 2.448 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCCc1nc3ccccc3s1)CC2 ZINC000739279093 600310130 /nfs/dbraw/zinc/31/01/30/600310130.db2.gz RMIVJFZDWMSIQP-ZDUSSCGKSA-N -1 1 373.478 2.142 20 0 FEADMM CCC[C@@](C)(NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000736963003 600324190 /nfs/dbraw/zinc/32/41/90/600324190.db2.gz JECMJAVLJUDQLJ-HPXCNGPASA-N -1 1 365.474 2.014 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccs1 ZINC000737358755 600339944 /nfs/dbraw/zinc/33/99/44/600339944.db2.gz PGSKGQIYRYVFSQ-QWHCGFSZSA-N -1 1 351.472 2.247 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(F)c1 ZINC000737357818 600341275 /nfs/dbraw/zinc/34/12/75/600341275.db2.gz FDWAHLHQLRPLFF-CVEARBPZSA-N -1 1 363.433 2.325 20 0 FEADMM COc1ccc(CNC(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cc1C(=O)[O-] ZINC000738001580 600359360 /nfs/dbraw/zinc/35/93/60/600359360.db2.gz HCKHELUIUXFFCT-DZGCQCFKSA-N -1 1 361.442 2.162 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738168413 600447189 /nfs/dbraw/zinc/44/71/89/600447189.db2.gz OJDMQWFFHPPHRG-AWEZNQCLSA-N -1 1 367.354 2.180 20 0 FEADMM O=C([O-])c1ccnc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)c1 ZINC000740245619 600452478 /nfs/dbraw/zinc/45/24/78/600452478.db2.gz UHOGYPJZHKEXTN-UHFFFAOYSA-N -1 1 366.333 2.193 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)CCCC(=O)[O-])[nH]c2c1 ZINC000738295073 600496738 /nfs/dbraw/zinc/49/67/38/600496738.db2.gz FVLNILDUMXRLTG-AWEZNQCLSA-N -1 1 351.428 2.203 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1OCC ZINC000392637164 600514490 /nfs/dbraw/zinc/51/44/90/600514490.db2.gz XWEBULQGTFZLSP-UHFFFAOYSA-N -1 1 366.395 2.378 20 0 FEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)C(F)F ZINC000809226756 674488233 /nfs/dbraw/zinc/48/82/33/674488233.db2.gz JOSRBMNQOFBJOW-YFKPBYRVSA-N -1 1 363.169 2.023 20 0 FEADMM CCCN(CCc1cccc(F)c1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000570521866 600643355 /nfs/dbraw/zinc/64/33/55/600643355.db2.gz OFFZYZYHGCAPNP-UHFFFAOYSA-N -1 1 350.434 2.403 20 0 FEADMM COC(=O)Nc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000320946316 600676417 /nfs/dbraw/zinc/67/64/17/600676417.db2.gz ZMFCXORPNPYZJG-UHFFFAOYSA-N -1 1 356.381 2.425 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000605292145 600683469 /nfs/dbraw/zinc/68/34/69/600683469.db2.gz KQPRYVUFRFPHSK-UHFFFAOYSA-N -1 1 354.409 2.230 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000740065852 600685089 /nfs/dbraw/zinc/68/50/89/600685089.db2.gz HMIRCAHFDXYCKU-WMLDXEAASA-N -1 1 352.390 2.268 20 0 FEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCc1cnn(C)c1)CC2 ZINC000652452858 600710519 /nfs/dbraw/zinc/71/05/19/600710519.db2.gz VNBQYAFEPDXCQE-MRXNPFEDSA-N -1 1 359.426 2.054 20 0 FEADMM CS(=O)(=O)Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832675811 600740998 /nfs/dbraw/zinc/74/09/98/600740998.db2.gz CSDFKORDDXPXKB-INIZCTEOSA-N -1 1 351.399 2.286 20 0 FEADMM O[C@@H](C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000823672381 607468799 /nfs/dbraw/zinc/46/87/99/607468799.db2.gz DKVWHIUMDRSRPC-HOCLYGCPSA-N -1 1 354.389 2.493 20 0 FEADMM O[C@@H](C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000823672381 607468801 /nfs/dbraw/zinc/46/88/01/607468801.db2.gz DKVWHIUMDRSRPC-HOCLYGCPSA-N -1 1 354.389 2.493 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000609219354 600814591 /nfs/dbraw/zinc/81/45/91/600814591.db2.gz ZGUWPVDAPLDUGO-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C([O-])c1ccc(F)c(NC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000833100071 600877321 /nfs/dbraw/zinc/87/73/21/600877321.db2.gz NITHTVBTUZVXHH-UHFFFAOYSA-N -1 1 372.400 2.070 20 0 FEADMM Cc1nnc(SCC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)[nH]1 ZINC000832990648 600915437 /nfs/dbraw/zinc/91/54/37/600915437.db2.gz ITZRARTYWKVKGF-UHFFFAOYSA-N -1 1 350.400 2.329 20 0 FEADMM Cc1n[nH]c(SCC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)n1 ZINC000832990648 600915440 /nfs/dbraw/zinc/91/54/40/600915440.db2.gz ITZRARTYWKVKGF-UHFFFAOYSA-N -1 1 350.400 2.329 20 0 FEADMM O=C([O-])[C@H]1CCCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000738538017 601032959 /nfs/dbraw/zinc/03/29/59/601032959.db2.gz NILQDIQYMUHQOR-AWEZNQCLSA-N -1 1 360.435 2.145 20 0 FEADMM C[C@](NCC(=O)N[C@H](c1nccs1)c1ccccc1)(C(=O)[O-])C1CC1 ZINC000827729279 601033801 /nfs/dbraw/zinc/03/38/01/601033801.db2.gz ZFSFNAHIJQGBQA-MAUKXSAKSA-N -1 1 359.451 2.192 20 0 FEADMM C[C@](NCC(=O)N1c2ccccc2NC(=O)C12CCCC2)(C(=O)[O-])C1CC1 ZINC000827727685 601040239 /nfs/dbraw/zinc/04/02/39/601040239.db2.gz LDEOHSJCMAJXEC-LJQANCHMSA-N -1 1 371.437 2.127 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCC[C@@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000833105489 601044013 /nfs/dbraw/zinc/04/40/13/601044013.db2.gz KMYUSJVRNNVWDL-MSOLQXFVSA-N -1 1 374.481 2.478 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000827695814 601080471 /nfs/dbraw/zinc/08/04/71/601080471.db2.gz XHMIZMAWKSDPEK-SECBINFHSA-N -1 1 370.340 2.157 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630226391 601086176 /nfs/dbraw/zinc/08/61/76/601086176.db2.gz XQSKSJRMDPRIRK-CHWSQXEVSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000630224891 601092857 /nfs/dbraw/zinc/09/28/57/601092857.db2.gz QXLYTSJMDRSGCS-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM CCOc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1OCC ZINC000630223676 601095934 /nfs/dbraw/zinc/09/59/34/601095934.db2.gz KHDJRLUHLVFDGF-AWEZNQCLSA-N -1 1 364.442 2.105 20 0 FEADMM CCC(=O)Nc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000828570810 601129345 /nfs/dbraw/zinc/12/93/45/601129345.db2.gz YNHKCYPYVKTBLI-CYBMUJFWSA-N -1 1 362.430 2.048 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000830581882 601149988 /nfs/dbraw/zinc/14/99/88/601149988.db2.gz SRLBTNFKTGPWEN-HUUCEWRRSA-N -1 1 368.865 2.384 20 0 FEADMM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1(N2CCOCC2)CCCC1 ZINC000827623034 601211338 /nfs/dbraw/zinc/21/13/38/601211338.db2.gz XUCQXWRZXVWRNR-ARFHVFGLSA-N -1 1 352.475 2.027 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000828265877 601219309 /nfs/dbraw/zinc/21/93/09/601219309.db2.gz LMXSWFISUXFUNV-IKQZUGGXSA-N -1 1 366.483 2.183 20 0 FEADMM COc1cc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000832011188 601233683 /nfs/dbraw/zinc/23/36/83/601233683.db2.gz SHYVFOGDVBZOGS-UHFFFAOYSA-N -1 1 359.331 2.243 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(C(=O)[O-])c2O)[nH]n1 ZINC000833012675 601303917 /nfs/dbraw/zinc/30/39/17/601303917.db2.gz DGNDDRMBGSEBAJ-UHFFFAOYSA-N -1 1 355.354 2.083 20 0 FEADMM COC(=O)c1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1C(=O)[O-] ZINC000831405251 601338968 /nfs/dbraw/zinc/33/89/68/601338968.db2.gz TXZVJLCJELPQDN-UHFFFAOYSA-N -1 1 372.381 2.306 20 0 FEADMM C[C@H](CN(Cn1c(=O)oc2ccc(Br)cc21)C1CC1)C(=O)[O-] ZINC000827454517 601397895 /nfs/dbraw/zinc/39/78/95/601397895.db2.gz BWIHKRKURAYPFS-SECBINFHSA-N -1 1 369.215 2.500 20 0 FEADMM Cc1nc(C)n(C[C@@H]2CCCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)n1 ZINC000832995880 601400941 /nfs/dbraw/zinc/40/09/41/601400941.db2.gz NDGPNNOHQJOKRH-OAHLLOKOSA-N -1 1 368.441 2.313 20 0 FEADMM C[C@H]1CN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C[C@H]1C(=O)[O-] ZINC000828432296 601506601 /nfs/dbraw/zinc/50/66/01/601506601.db2.gz MPUPCAJGFLLZMJ-GXTWGEPZSA-N -1 1 358.360 2.230 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000833011571 601513711 /nfs/dbraw/zinc/51/37/11/601513711.db2.gz LZBSSQIPEQXBCH-PVUWLOKVSA-N -1 1 370.453 2.469 20 0 FEADMM C[C@@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000828465377 601521881 /nfs/dbraw/zinc/52/18/81/601521881.db2.gz XLMQYCDMIIHWEY-DOMZBBRYSA-N -1 1 359.451 2.477 20 0 FEADMM C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C(=O)[O-] ZINC000111255155 601527402 /nfs/dbraw/zinc/52/74/02/601527402.db2.gz SXUCUTBQNFOYPD-ONGXEEELSA-N -1 1 356.216 2.373 20 0 FEADMM C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425076 601529952 /nfs/dbraw/zinc/52/99/52/601529952.db2.gz WWDUJWFUDSVRRQ-FXPVBKGRSA-N -1 1 351.403 2.415 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000827369257 601587243 /nfs/dbraw/zinc/58/72/43/601587243.db2.gz SKPXXSNVHBPXPB-ZDUSSCGKSA-N -1 1 358.398 2.354 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2CCCSC2)ccc1[N-]S(C)(=O)=O ZINC000558339989 674491776 /nfs/dbraw/zinc/49/17/76/674491776.db2.gz JTQZMUVHFUUTGI-NSHDSACASA-N -1 1 373.500 2.331 20 0 FEADMM CCS[C@H](C)c1noc(CN(C)Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000825668909 607516360 /nfs/dbraw/zinc/51/63/60/607516360.db2.gz LQFDOZQSCYBYEL-SNVBAGLBSA-N -1 1 360.447 2.091 20 0 FEADMM CCS[C@H](C)c1noc(CN(C)Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000825668909 607516362 /nfs/dbraw/zinc/51/63/62/607516362.db2.gz LQFDOZQSCYBYEL-SNVBAGLBSA-N -1 1 360.447 2.091 20 0 FEADMM CCOC(=O)c1sc(NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000829895182 601602433 /nfs/dbraw/zinc/60/24/33/601602433.db2.gz IMTZITZGWPRRQJ-ZDUSSCGKSA-N -1 1 356.444 2.261 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])ccc1Cl ZINC000831348531 601830390 /nfs/dbraw/zinc/83/03/90/601830390.db2.gz ZSANVEYCOIBXCD-UHFFFAOYSA-N -1 1 372.786 2.262 20 0 FEADMM COc1ccc(OC)c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000751142062 601831322 /nfs/dbraw/zinc/83/13/22/601831322.db2.gz KYAGZSMGGYNNSN-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)ccc1Cl ZINC000324998727 601839035 /nfs/dbraw/zinc/83/90/35/601839035.db2.gz YHHBQHWZEWCJBI-LBPRGKRZSA-N -1 1 372.874 2.287 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(F)cc1Cl ZINC000809384494 674492417 /nfs/dbraw/zinc/49/24/17/674492417.db2.gz QTGCWCYVNWQTCD-SECBINFHSA-N -1 1 365.810 2.113 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767206519 601876275 /nfs/dbraw/zinc/87/62/75/601876275.db2.gz RITHCMPLRURMCS-UHFFFAOYSA-N -1 1 352.343 2.148 20 0 FEADMM O=C([O-])NCCc1ccc(CNC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000740671511 601890268 /nfs/dbraw/zinc/89/02/68/601890268.db2.gz QYIGDPJOIAAWKD-UHFFFAOYSA-N -1 1 352.394 2.232 20 0 FEADMM COc1cc(OC)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000832030233 601912928 /nfs/dbraw/zinc/91/29/28/601912928.db2.gz IQVFUDCZYYHPGZ-INIZCTEOSA-N -1 1 356.806 2.092 20 0 FEADMM C[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000738961218 601955140 /nfs/dbraw/zinc/95/51/40/601955140.db2.gz LDRIJBGLZNHCTQ-CABCVRRESA-N -1 1 359.470 2.332 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000738961221 601955152 /nfs/dbraw/zinc/95/51/52/601955152.db2.gz LDRIJBGLZNHCTQ-LSDHHAIUSA-N -1 1 359.470 2.332 20 0 FEADMM NC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000833085882 601979171 /nfs/dbraw/zinc/97/91/71/601979171.db2.gz XXRWMHUGCDBLDS-ZDUSSCGKSA-N -1 1 354.193 2.403 20 0 FEADMM C[C@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738922637 602009678 /nfs/dbraw/zinc/00/96/78/602009678.db2.gz ZWKJXLOEEQDLMC-OAHLLOKOSA-N -1 1 374.485 2.122 20 0 FEADMM Cn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC000826356375 607539728 /nfs/dbraw/zinc/53/97/28/607539728.db2.gz NXVRACQQMVARRV-UHFFFAOYSA-N -1 1 356.440 2.411 20 0 FEADMM Cn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1cccs1 ZINC000826356375 607539730 /nfs/dbraw/zinc/53/97/30/607539730.db2.gz NXVRACQQMVARRV-UHFFFAOYSA-N -1 1 356.440 2.411 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1ccc(F)cc1 ZINC000739609639 602105517 /nfs/dbraw/zinc/10/55/17/602105517.db2.gz WWAPNCVXDBXARK-XJKSGUPXSA-N -1 1 366.437 2.118 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)c1ccco1 ZINC000739407779 602143008 /nfs/dbraw/zinc/14/30/08/602143008.db2.gz LMBIYXZEMRUUCC-GJZGRUSLSA-N -1 1 366.462 2.446 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000739407948 602144887 /nfs/dbraw/zinc/14/48/87/602144887.db2.gz NZZKUXGBHBPMLP-HUUCEWRRSA-N -1 1 366.462 2.352 20 0 FEADMM Cc1c(NCc2ccnc(-c3nnn[n-]3)c2)cccc1C(=O)N1CCCC1 ZINC000826242297 607549178 /nfs/dbraw/zinc/54/91/78/607549178.db2.gz JBPABSYEVNWRIB-UHFFFAOYSA-N -1 1 363.425 2.418 20 0 FEADMM Cc1c(NCc2ccnc(-c3nn[n-]n3)c2)cccc1C(=O)N1CCCC1 ZINC000826242297 607549179 /nfs/dbraw/zinc/54/91/79/607549179.db2.gz JBPABSYEVNWRIB-UHFFFAOYSA-N -1 1 363.425 2.418 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])c1 ZINC000739947974 602275144 /nfs/dbraw/zinc/27/51/44/602275144.db2.gz UPIAKKJMEMTTND-YOEHRIQHSA-N -1 1 363.458 2.164 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000740673556 602291781 /nfs/dbraw/zinc/29/17/81/602291781.db2.gz JKANHLLMTSCNIL-UHFFFAOYSA-N -1 1 351.366 2.169 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000740673556 602291786 /nfs/dbraw/zinc/29/17/86/602291786.db2.gz JKANHLLMTSCNIL-UHFFFAOYSA-N -1 1 351.366 2.169 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000739531463 602340032 /nfs/dbraw/zinc/34/00/32/602340032.db2.gz QQWGFDJQJGVDRK-IRXDYDNUSA-N -1 1 363.458 2.385 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000827369371 602367589 /nfs/dbraw/zinc/36/75/89/602367589.db2.gz WOPUSVXBWLDJGL-LBPRGKRZSA-N -1 1 371.384 2.343 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1F)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738631447 602399754 /nfs/dbraw/zinc/39/97/54/602399754.db2.gz VWEUEDMZKIUAJV-UONOGXRCSA-N -1 1 351.422 2.152 20 0 FEADMM Cc1ccccc1C[C@H](C)NC(=O)CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740180619 602448605 /nfs/dbraw/zinc/44/86/05/602448605.db2.gz HQJJRIUWPWXWGR-JKSUJKDBSA-N -1 1 361.486 2.410 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632142 602534155 /nfs/dbraw/zinc/53/41/55/602534155.db2.gz ZMARFLSPFKJOGT-JSGCOSHPSA-N -1 1 353.850 2.276 20 0 FEADMM O=S(=O)(Oc1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493624 607572246 /nfs/dbraw/zinc/57/22/46/607572246.db2.gz UPHHGKZXPBBANH-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493624 607572248 /nfs/dbraw/zinc/57/22/48/607572248.db2.gz UPHHGKZXPBBANH-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM CN(C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)C1)C(=O)[O-] ZINC000739660720 602541301 /nfs/dbraw/zinc/54/13/01/602541301.db2.gz PNKDUFHOSXONHT-MAUKXSAKSA-N -1 1 359.470 2.454 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000740121930 602543534 /nfs/dbraw/zinc/54/35/34/602543534.db2.gz MNVJCPRJAGNTAW-KRWDZBQOSA-N -1 1 359.470 2.418 20 0 FEADMM CCCN(CCCS(=O)(=O)c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739357373 602547225 /nfs/dbraw/zinc/54/72/25/602547225.db2.gz PLVVCPJMCVOKCJ-OAHLLOKOSA-N -1 1 354.472 2.315 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1)C(=O)[O-] ZINC000739648857 602608498 /nfs/dbraw/zinc/60/84/98/602608498.db2.gz HBXHEDZUGJFLKX-LSDHHAIUSA-N -1 1 364.446 2.058 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000826283716 607579378 /nfs/dbraw/zinc/57/93/78/607579378.db2.gz YHLMVHISQFUTQK-VIFPVBQESA-N -1 1 367.818 2.461 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000826283716 607579380 /nfs/dbraw/zinc/57/93/80/607579380.db2.gz YHLMVHISQFUTQK-VIFPVBQESA-N -1 1 367.818 2.461 20 0 FEADMM O=C([O-])NCc1nc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000740683139 602707845 /nfs/dbraw/zinc/70/78/45/602707845.db2.gz BSQMEWIPLIPHOC-CQSZACIVSA-N -1 1 374.466 2.305 20 0 FEADMM O=S(=O)(NCCCC1CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490720 607584518 /nfs/dbraw/zinc/58/45/18/607584518.db2.gz FLKBFCLJQDHNIS-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM O=S(=O)(NCCCC1CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490720 607584520 /nfs/dbraw/zinc/58/45/20/607584520.db2.gz FLKBFCLJQDHNIS-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739962057 602785689 /nfs/dbraw/zinc/78/56/89/602785689.db2.gz ULGFCADGLUJLDG-IJEWVQPXSA-N -1 1 363.458 2.193 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738784332 602827317 /nfs/dbraw/zinc/82/73/17/602827317.db2.gz FRFHUBFOBKINPV-CABCVRRESA-N -1 1 366.462 2.398 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)ccc1F ZINC000739609818 602841260 /nfs/dbraw/zinc/84/12/60/602841260.db2.gz HSIKOVORQDODKH-CQSZACIVSA-N -1 1 366.437 2.029 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739136609 602955761 /nfs/dbraw/zinc/95/57/61/602955761.db2.gz OUYURWBDNDIUGN-XQQFMLRXSA-N -1 1 354.476 2.133 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1cccs1 ZINC000739608912 602955795 /nfs/dbraw/zinc/95/57/95/602955795.db2.gz RINAEJPVGWNQJV-STQMWFEESA-N -1 1 354.476 2.183 20 0 FEADMM Nc1cc(C(F)(F)F)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826395830 607596849 /nfs/dbraw/zinc/59/68/49/607596849.db2.gz UTNDVKXSPTXZMF-UHFFFAOYSA-N -1 1 364.287 2.220 20 0 FEADMM Nc1cc(C(F)(F)F)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826395830 607596851 /nfs/dbraw/zinc/59/68/51/607596851.db2.gz UTNDVKXSPTXZMF-UHFFFAOYSA-N -1 1 364.287 2.220 20 0 FEADMM COc1ccc2nc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826214080 607599652 /nfs/dbraw/zinc/59/96/52/607599652.db2.gz ZQSFMYCEISJEFH-UHFFFAOYSA-N -1 1 362.349 2.176 20 0 FEADMM COc1ccc2nc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)ccc2c1 ZINC000826214080 607599653 /nfs/dbraw/zinc/59/96/53/607599653.db2.gz ZQSFMYCEISJEFH-UHFFFAOYSA-N -1 1 362.349 2.176 20 0 FEADMM CN1CCN(C(C)(C)CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000739734205 603041344 /nfs/dbraw/zinc/04/13/44/603041344.db2.gz HZMMQTYSUYFCSI-UHFFFAOYSA-N -1 1 367.425 2.063 20 0 FEADMM Cc1nc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000830677883 603077020 /nfs/dbraw/zinc/07/70/20/603077020.db2.gz KMMGGPAEXQCDIL-GFCCVEGCSA-N -1 1 365.777 2.070 20 0 FEADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)n1 ZINC000823864209 603077716 /nfs/dbraw/zinc/07/77/16/603077716.db2.gz IZBZATGGUMRPAS-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000823864209 603077720 /nfs/dbraw/zinc/07/77/20/603077720.db2.gz IZBZATGGUMRPAS-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493558 607606933 /nfs/dbraw/zinc/60/69/33/607606933.db2.gz QPNWHFSEQRMAAW-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493558 607606935 /nfs/dbraw/zinc/60/69/35/607606935.db2.gz QPNWHFSEQRMAAW-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1cccs1 ZINC000739609701 603104521 /nfs/dbraw/zinc/10/45/21/603104521.db2.gz XHTPYZKYTVRXEL-WXRRBKDZSA-N -1 1 354.476 2.229 20 0 FEADMM CC(C)(NC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000736328191 603131451 /nfs/dbraw/zinc/13/14/51/603131451.db2.gz NDQFGDYGQBUYFM-CYBMUJFWSA-N -1 1 373.375 2.442 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737370417 603186539 /nfs/dbraw/zinc/18/65/39/603186539.db2.gz JYAHXTWMQLCBOA-UHFFFAOYSA-N -1 1 356.382 2.189 20 0 FEADMM CN(C[C@H]1CCN(C(=O)[O-])C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000739660895 603344345 /nfs/dbraw/zinc/34/43/45/603344345.db2.gz XDYWNZJOHIQTKS-IUODEOHRSA-N -1 1 351.834 2.377 20 0 FEADMM CN(CCCNC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000739676744 603367134 /nfs/dbraw/zinc/36/71/34/603367134.db2.gz CWNAGKIWDKGJFB-AWEZNQCLSA-N -1 1 352.435 2.106 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739609458 603425691 /nfs/dbraw/zinc/42/56/91/603425691.db2.gz FAJNJTLYHCMGIQ-UHFFFAOYSA-N -1 1 370.409 2.118 20 0 FEADMM O=C(C1CC1)[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCO1 ZINC000559041377 674525215 /nfs/dbraw/zinc/52/52/15/674525215.db2.gz RWCSZJQXLLKTKJ-OAHLLOKOSA-N -1 1 360.797 2.414 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2F)oc1C ZINC000828760480 603493960 /nfs/dbraw/zinc/49/39/60/603493960.db2.gz CUPNNYYXZAERIZ-UHFFFAOYSA-N -1 1 372.330 2.404 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1cccs1 ZINC000828138303 603517356 /nfs/dbraw/zinc/51/73/56/603517356.db2.gz YPSVSIBXXWKCNV-GFCCVEGCSA-N -1 1 356.492 2.286 20 0 FEADMM O=C([O-])N[C@@H](CCC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000832119061 603560879 /nfs/dbraw/zinc/56/08/79/603560879.db2.gz GSVIKEVTVHZVOP-HNNXBMFYSA-N -1 1 357.414 2.300 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)C(C)(C)CNC(=O)[O-])CC2)cc1 ZINC000829363442 603623921 /nfs/dbraw/zinc/62/39/21/603623921.db2.gz VJEIZIOLSOLURA-UHFFFAOYSA-N -1 1 363.458 2.023 20 0 FEADMM Cc1cccc(NC(=O)NC(=O)CN(C)CC(C)(C)CNC(=O)[O-])c1C ZINC000830517523 603626889 /nfs/dbraw/zinc/62/68/89/603626889.db2.gz ZINJJBFFYKQVRU-UHFFFAOYSA-N -1 1 364.446 2.177 20 0 FEADMM C[C@@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824844383 607646702 /nfs/dbraw/zinc/64/67/02/607646702.db2.gz WUEIZBDFDMYLBQ-WBVHZDCISA-N -1 1 373.413 2.014 20 0 FEADMM O=C([O-])NCC1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000832588509 603715749 /nfs/dbraw/zinc/71/57/49/603715749.db2.gz CJKYSJXSXSQKPK-UHFFFAOYSA-N -1 1 354.410 2.367 20 0 FEADMM Cc1cc(C=O)c(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC000826266574 607648850 /nfs/dbraw/zinc/64/88/50/607648850.db2.gz UBSJGZBCQDPWKZ-UHFFFAOYSA-N -1 1 358.379 2.064 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000827883198 603801625 /nfs/dbraw/zinc/80/16/25/603801625.db2.gz XLUQJSXKEUCFFZ-MNOVXSKESA-N -1 1 363.241 2.417 20 0 FEADMM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)O1 ZINC000826661850 603802208 /nfs/dbraw/zinc/80/22/08/603802208.db2.gz UDIOWMTZMPSZAP-STQMWFEESA-N -1 1 359.386 2.135 20 0 FEADMM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)O1 ZINC000826661850 603802213 /nfs/dbraw/zinc/80/22/13/603802213.db2.gz UDIOWMTZMPSZAP-STQMWFEESA-N -1 1 359.386 2.135 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])ccc1F ZINC000828042618 603803578 /nfs/dbraw/zinc/80/35/78/603803578.db2.gz KCGCJEUASULQHE-OAHLLOKOSA-N -1 1 366.437 2.171 20 0 FEADMM CCC(CC)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)SC ZINC000825089920 607654444 /nfs/dbraw/zinc/65/44/44/607654444.db2.gz PCRLYTOYGCADTO-UHFFFAOYSA-N -1 1 373.479 2.206 20 0 FEADMM CCC(CC)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)SC ZINC000825089920 607654446 /nfs/dbraw/zinc/65/44/46/607654446.db2.gz PCRLYTOYGCADTO-UHFFFAOYSA-N -1 1 373.479 2.206 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000824993292 607655676 /nfs/dbraw/zinc/65/56/76/607655676.db2.gz PZXVLSKIRZCBND-MEDUHNTESA-N -1 1 373.413 2.388 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000824993292 607655678 /nfs/dbraw/zinc/65/56/78/607655678.db2.gz PZXVLSKIRZCBND-MEDUHNTESA-N -1 1 373.413 2.388 20 0 FEADMM C[C@H](NC(=O)[O-])C(=O)OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000740027871 603915154 /nfs/dbraw/zinc/91/51/54/603915154.db2.gz HHDWNQGBUUKYME-RYUDHWBXSA-N -1 1 356.369 2.376 20 0 FEADMM O=C([O-])NC[C@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000832408012 603938324 /nfs/dbraw/zinc/93/83/24/603938324.db2.gz MNAREECSXWZUPN-AWEZNQCLSA-N -1 1 370.384 2.412 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000827229118 603942529 /nfs/dbraw/zinc/94/25/29/603942529.db2.gz UVVDAKRDADBPCT-CABCVRRESA-N -1 1 360.458 2.203 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000829404204 603982293 /nfs/dbraw/zinc/98/22/93/603982293.db2.gz JXEDRPZWZBEKMF-UHFFFAOYSA-N -1 1 355.822 2.361 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000827035088 604030297 /nfs/dbraw/zinc/03/02/97/604030297.db2.gz JAUNSMCTJWNCIL-HNNXBMFYSA-N -1 1 366.462 2.446 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830083967 604062975 /nfs/dbraw/zinc/06/29/75/604062975.db2.gz DMYHRVRPROLXCO-UHFFFAOYSA-N -1 1 360.458 2.266 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000826669570 604104208 /nfs/dbraw/zinc/10/42/08/604104208.db2.gz XVIQTAQGUDXVEL-CVEARBPZSA-N -1 1 369.506 2.305 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000825253697 604163507 /nfs/dbraw/zinc/16/35/07/604163507.db2.gz JVFCJTOTFQCZCM-RWMBFGLXSA-N -1 1 365.396 2.155 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)[nH]c2c1 ZINC000830432801 604270759 /nfs/dbraw/zinc/27/07/59/604270759.db2.gz LYZWUWKEPHFLJP-OLZOCXBDSA-N -1 1 359.430 2.449 20 0 FEADMM O=C([O-])c1csc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000833101153 604315068 /nfs/dbraw/zinc/31/50/68/604315068.db2.gz UAOAXCYNZYLLRX-UHFFFAOYSA-N -1 1 358.379 2.081 20 0 FEADMM CCS(=O)(=O)N(C)C1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000830126537 604383012 /nfs/dbraw/zinc/38/30/12/604383012.db2.gz RVSWDBCYESPNFJ-LBPRGKRZSA-N -1 1 358.460 2.093 20 0 FEADMM Cc1cc([C@@H](C)OC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)oc1C(=O)[O-] ZINC000832870923 604581430 /nfs/dbraw/zinc/58/14/30/604581430.db2.gz CZJDHDXKBMCLHM-LLVKDONJSA-N -1 1 373.365 2.498 20 0 FEADMM O=C([O-])c1cc(CNc2ccc3[nH]c(CCN4CCOCC4)nc3c2)c[nH]1 ZINC000833298176 604659871 /nfs/dbraw/zinc/65/98/71/604659871.db2.gz ULIVWTSQKUJCSV-UHFFFAOYSA-N -1 1 369.425 2.076 20 0 FEADMM CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)ccc1Cl ZINC000833398467 604687506 /nfs/dbraw/zinc/68/75/06/604687506.db2.gz JWQKFTHRWINDCP-UHFFFAOYSA-N -1 1 369.786 2.192 20 0 FEADMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833033916 604770877 /nfs/dbraw/zinc/77/08/77/604770877.db2.gz PHUPZGQUIUMRDP-QPJJXVBHSA-N -1 1 366.420 2.054 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(F)c(F)c1 ZINC000826294791 607716236 /nfs/dbraw/zinc/71/62/36/607716236.db2.gz CRONZGSAEKDAQW-UHFFFAOYSA-N -1 1 354.320 2.212 20 0 FEADMM CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])o2)cc1 ZINC000833401653 604895969 /nfs/dbraw/zinc/89/59/69/604895969.db2.gz ZTUUEFIHTUXRHM-HNNXBMFYSA-N -1 1 367.361 2.298 20 0 FEADMM CN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000827932274 604899166 /nfs/dbraw/zinc/89/91/66/604899166.db2.gz NVEXVCQLDMGRTB-HNNXBMFYSA-N -1 1 357.410 2.394 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000833549925 604940921 /nfs/dbraw/zinc/94/09/21/604940921.db2.gz IRYIHGCDOJTFGI-CYBMUJFWSA-N -1 1 354.410 2.130 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)n[nH]2)cc1 ZINC000829234722 604950230 /nfs/dbraw/zinc/95/02/30/604950230.db2.gz RMFDNLIGRVRDSJ-FZMZJTMJSA-N -1 1 358.398 2.204 20 0 FEADMM C[C@H]1CCc2c(sc(NC(=O)CN3CCc4cn[nH]c4C3)c2C(=O)[O-])C1 ZINC000833616960 605009665 /nfs/dbraw/zinc/00/96/65/605009665.db2.gz LIDVUHXSMACEKS-JTQLQIEISA-N -1 1 374.466 2.291 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@H](OCc2ccncc2)C1 ZINC000826523268 607729363 /nfs/dbraw/zinc/72/93/63/607729363.db2.gz HDGLDZMDFQENKC-AWEZNQCLSA-N -1 1 374.408 2.000 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@H](OCc2ccncc2)C1 ZINC000826523268 607729365 /nfs/dbraw/zinc/72/93/65/607729365.db2.gz HDGLDZMDFQENKC-AWEZNQCLSA-N -1 1 374.408 2.000 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000833622673 605053386 /nfs/dbraw/zinc/05/33/86/605053386.db2.gz FSVLSEBMENEFHP-MRXNPFEDSA-N -1 1 361.486 2.446 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000833626972 605108956 /nfs/dbraw/zinc/10/89/56/605108956.db2.gz UEHPNFTUYQJRAK-GFCCVEGCSA-N -1 1 374.359 2.249 20 0 FEADMM C[C@H]1CN(C(=O)NCCSCC(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000833624702 605173602 /nfs/dbraw/zinc/17/36/02/605173602.db2.gz URMFDXMMBGRWOG-GJZGRUSLSA-N -1 1 365.499 2.109 20 0 FEADMM CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833627753 605175574 /nfs/dbraw/zinc/17/55/74/605175574.db2.gz UCGPJIBEJAKGKA-GXFFZTMASA-N -1 1 360.863 2.045 20 0 FEADMM C[C@H]1COc2ccccc2CN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000652443296 605223887 /nfs/dbraw/zinc/22/38/87/605223887.db2.gz RPSVTCAKUIOGJK-YOEHRIQHSA-N -1 1 357.406 2.408 20 0 FEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCN(C(=O)CC3CCCC3)CC2)O1 ZINC000833581043 605319742 /nfs/dbraw/zinc/31/97/42/605319742.db2.gz VCCKXJZMFHGJTF-MRXNPFEDSA-N -1 1 350.459 2.249 20 0 FEADMM CC(C)(C)[C@H]1CCN([C@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833426480 605320320 /nfs/dbraw/zinc/32/03/20/605320320.db2.gz USRBDFPOUXAOGL-JQWIXIFHSA-N -1 1 350.440 2.446 20 0 FEADMM Cc1ccc2nc(CNC(=O)N(C3CC3)[C@H]3CCN(C(=O)[O-])C3)[nH]c2c1 ZINC000830432605 605408741 /nfs/dbraw/zinc/40/87/41/605408741.db2.gz JBFAERCGZJVSQD-ZDUSSCGKSA-N -1 1 357.414 2.298 20 0 FEADMM Cn1cc(-c2nc(CN3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@@H]4C3)cs2)cn1 ZINC000833945170 605430851 /nfs/dbraw/zinc/43/08/51/605430851.db2.gz MTBIGSXXFFYUNK-NILFDRSVSA-N -1 1 361.471 2.412 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)n1 ZINC000832729966 605439745 /nfs/dbraw/zinc/43/97/45/605439745.db2.gz MFSMSWMXEYHPIH-VIFPVBQESA-N -1 1 370.196 2.372 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)n[nH]1 ZINC000832729966 605439749 /nfs/dbraw/zinc/43/97/49/605439749.db2.gz MFSMSWMXEYHPIH-VIFPVBQESA-N -1 1 370.196 2.372 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000833816220 605485543 /nfs/dbraw/zinc/48/55/43/605485543.db2.gz JZTKDMKCOXQYHW-AVGNSLFASA-N -1 1 354.476 2.038 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C)N1CCc2ccccc2C1 ZINC000824930381 605501749 /nfs/dbraw/zinc/50/17/49/605501749.db2.gz MKYWKDQRIGABLA-DAYGRLMNSA-N -1 1 374.485 2.263 20 0 FEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000834239684 605565454 /nfs/dbraw/zinc/56/54/54/605565454.db2.gz DXEUJEJHTWKCLH-ZDUSSCGKSA-N -1 1 366.487 2.006 20 0 FEADMM CC[C@@H](CSc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825125189 607764087 /nfs/dbraw/zinc/76/40/87/607764087.db2.gz BDGUPSVWOYUEBF-NSHDSACASA-N -1 1 372.458 2.293 20 0 FEADMM CC[C@@H](CSc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825125189 607764088 /nfs/dbraw/zinc/76/40/88/607764088.db2.gz BDGUPSVWOYUEBF-NSHDSACASA-N -1 1 372.458 2.293 20 0 FEADMM O=C([O-])N1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000739403862 605643282 /nfs/dbraw/zinc/64/32/82/605643282.db2.gz HLOXLBFNAAHBOO-GJZGRUSLSA-N -1 1 364.446 2.248 20 0 FEADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000831806392 605692116 /nfs/dbraw/zinc/69/21/16/605692116.db2.gz OWENEJXOUISCKM-KRWDZBQOSA-N -1 1 363.377 2.483 20 0 FEADMM O=C(N[C@H]1CCOC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826431545 607771383 /nfs/dbraw/zinc/77/13/83/607771383.db2.gz FFCCTGSBUBNSJZ-LBPRGKRZSA-N -1 1 369.356 2.317 20 0 FEADMM O=C(N[C@H]1CCOC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826431545 607771384 /nfs/dbraw/zinc/77/13/84/607771384.db2.gz FFCCTGSBUBNSJZ-LBPRGKRZSA-N -1 1 369.356 2.317 20 0 FEADMM O=C([O-])N1CC(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000834068232 605737147 /nfs/dbraw/zinc/73/71/47/605737147.db2.gz AHCGBNBZAVLFCY-UHFFFAOYSA-N -1 1 356.213 2.274 20 0 FEADMM O=C([O-])N1CC[C@H](N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)C1 ZINC000834082058 605781885 /nfs/dbraw/zinc/78/18/85/605781885.db2.gz IEBCWKAYLOMLIE-AWEZNQCLSA-N -1 1 362.817 2.065 20 0 FEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000834241807 605806936 /nfs/dbraw/zinc/80/69/36/605806936.db2.gz VJGPTDQDTHREFC-LBPRGKRZSA-N -1 1 357.813 2.075 20 0 FEADMM O=C([O-])NC1CCN(CC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000834180890 605821235 /nfs/dbraw/zinc/82/12/35/605821235.db2.gz AHOBILCJKWEEBH-CNZFZVQHSA-N -1 1 357.454 2.423 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000834219670 605868789 /nfs/dbraw/zinc/86/87/89/605868789.db2.gz KWUMXKKSXNUDEY-SMDDNHRTSA-N -1 1 357.248 2.462 20 0 FEADMM Cc1nscc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000833937046 605871600 /nfs/dbraw/zinc/87/16/00/605871600.db2.gz STPUWWUOABHFDO-UHFFFAOYSA-N -1 1 358.383 2.257 20 0 FEADMM Cc1nscc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000833937046 605871605 /nfs/dbraw/zinc/87/16/05/605871605.db2.gz STPUWWUOABHFDO-UHFFFAOYSA-N -1 1 358.383 2.257 20 0 FEADMM C[C@H]1Cc2ccccc2N1C(=O)CN1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833836398 605899125 /nfs/dbraw/zinc/89/91/25/605899125.db2.gz AMPPJYMPWPDRDX-HNNXBMFYSA-N -1 1 357.454 2.430 20 0 FEADMM O=C([O-])N[C@H](CNC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000834146775 605914667 /nfs/dbraw/zinc/91/46/67/605914667.db2.gz LZERQSBGXWJXDV-LLVKDONJSA-N -1 1 367.203 2.101 20 0 FEADMM O=C([O-])NC1CCC(N[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000834164993 605984921 /nfs/dbraw/zinc/98/49/21/605984921.db2.gz MJJUPRHUJVKUPH-YIZWMMSDSA-N -1 1 356.419 2.213 20 0 FEADMM O=C([O-])N[C@@H](CC(F)F)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000834131051 606016516 /nfs/dbraw/zinc/01/65/16/606016516.db2.gz HPOAFOZIZYLXMW-AWEZNQCLSA-N -1 1 373.375 2.198 20 0 FEADMM CCO[C@H](C)c1noc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810066290 674528919 /nfs/dbraw/zinc/52/89/19/674528919.db2.gz JVAFKZSSMGHTRC-GHMZBOCLSA-N -1 1 364.368 2.058 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821447327 606103323 /nfs/dbraw/zinc/10/33/23/606103323.db2.gz JGDXZNMRGQAYPU-BADDSXTQSA-N -1 1 354.867 2.407 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821447327 606103325 /nfs/dbraw/zinc/10/33/25/606103325.db2.gz JGDXZNMRGQAYPU-BADDSXTQSA-N -1 1 354.867 2.407 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1c(F)cccc1F ZINC000823027428 606134918 /nfs/dbraw/zinc/13/49/18/606134918.db2.gz UPRXHHFRILACFE-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1c(F)cccc1F ZINC000823027428 606134920 /nfs/dbraw/zinc/13/49/20/606134920.db2.gz UPRXHHFRILACFE-UHFFFAOYSA-N -1 1 365.321 2.002 20 0 FEADMM C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813595 606137763 /nfs/dbraw/zinc/13/77/63/606137763.db2.gz KJZMBZQZHKECAE-JTQLQIEISA-N -1 1 369.406 2.063 20 0 FEADMM C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813595 606137765 /nfs/dbraw/zinc/13/77/65/606137765.db2.gz KJZMBZQZHKECAE-JTQLQIEISA-N -1 1 369.406 2.063 20 0 FEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820697768 606138815 /nfs/dbraw/zinc/13/88/15/606138815.db2.gz LWLGFFSBFSNBMV-MNOVXSKESA-N -1 1 363.443 2.122 20 0 FEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697768 606138817 /nfs/dbraw/zinc/13/88/17/606138817.db2.gz LWLGFFSBFSNBMV-MNOVXSKESA-N -1 1 363.443 2.122 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)n1 ZINC000822604251 606167135 /nfs/dbraw/zinc/16/71/35/606167135.db2.gz ACMYPSCXFSNGRD-CYBMUJFWSA-N -1 1 352.402 2.215 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)n1 ZINC000822604251 606167136 /nfs/dbraw/zinc/16/71/36/606167136.db2.gz ACMYPSCXFSNGRD-CYBMUJFWSA-N -1 1 352.402 2.215 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2cccc(F)c2)n1 ZINC000822609804 606167484 /nfs/dbraw/zinc/16/74/84/606167484.db2.gz VPYQUBSMMYOSLA-ZDUSSCGKSA-N -1 1 356.365 2.108 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2cccc(F)c2)n1 ZINC000822609804 606167485 /nfs/dbraw/zinc/16/74/85/606167485.db2.gz VPYQUBSMMYOSLA-ZDUSSCGKSA-N -1 1 356.365 2.108 20 0 FEADMM COc1ccccc1C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000821890892 606183100 /nfs/dbraw/zinc/18/31/00/606183100.db2.gz QUHPSTYBGCFGLC-INIZCTEOSA-N -1 1 366.425 2.267 20 0 FEADMM COc1ccccc1C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000821890892 606183103 /nfs/dbraw/zinc/18/31/03/606183103.db2.gz QUHPSTYBGCFGLC-INIZCTEOSA-N -1 1 366.425 2.267 20 0 FEADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc(OC)c1C ZINC000821702817 606238001 /nfs/dbraw/zinc/23/80/01/606238001.db2.gz BQXBYUYYFDWTQV-UHFFFAOYSA-N -1 1 374.426 2.234 20 0 FEADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc(OC)c1C ZINC000821702817 606238003 /nfs/dbraw/zinc/23/80/03/606238003.db2.gz BQXBYUYYFDWTQV-UHFFFAOYSA-N -1 1 374.426 2.234 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@@H](C)Oc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000822258707 606238369 /nfs/dbraw/zinc/23/83/69/606238369.db2.gz APSHGXUBSMPQAZ-LLVKDONJSA-N -1 1 358.427 2.370 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@@H](C)Oc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000822258707 606238370 /nfs/dbraw/zinc/23/83/70/606238370.db2.gz APSHGXUBSMPQAZ-LLVKDONJSA-N -1 1 358.427 2.370 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1occc1Br ZINC000823294614 606293625 /nfs/dbraw/zinc/29/36/25/606293625.db2.gz KCGSTJQXVLTBTQ-UHFFFAOYSA-N -1 1 350.132 2.180 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)NC(=S)N1c1ccccc1F ZINC000823503897 606389893 /nfs/dbraw/zinc/38/98/93/606389893.db2.gz KGZACLBYILKGNN-YFHOEESVSA-N -1 1 372.410 2.330 20 0 FEADMM Cc1ccc([O-])c(C(=O)c2cnn(Cc3cccc(-c4nn[nH]n4)c3)c2)c1 ZINC000822258986 606415352 /nfs/dbraw/zinc/41/53/52/606415352.db2.gz IASSTNWDUGHFEM-UHFFFAOYSA-N -1 1 360.377 2.357 20 0 FEADMM Clc1ccc(Nc2ccn(Cc3ccccn3)n2)nc1-c1nnn[n-]1 ZINC000822578103 606465697 /nfs/dbraw/zinc/46/56/97/606465697.db2.gz DBDOXWHUCLJTJW-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM Clc1ccc(Nc2ccn(Cc3ccccn3)n2)nc1-c1nn[n-]n1 ZINC000822578103 606465698 /nfs/dbraw/zinc/46/56/98/606465698.db2.gz DBDOXWHUCLJTJW-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM CN1C(=O)COc2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc21 ZINC000821620559 606471657 /nfs/dbraw/zinc/47/16/57/606471657.db2.gz OWCKAOYEVMOYMV-UHFFFAOYSA-N -1 1 357.761 2.014 20 0 FEADMM CN1C(=O)COc2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc21 ZINC000821620559 606471659 /nfs/dbraw/zinc/47/16/59/606471659.db2.gz OWCKAOYEVMOYMV-UHFFFAOYSA-N -1 1 357.761 2.014 20 0 FEADMM O=C(NCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823254546 606495874 /nfs/dbraw/zinc/49/58/74/606495874.db2.gz YBTCOIUZCLNZTM-UHFFFAOYSA-N -1 1 351.338 2.460 20 0 FEADMM O=C(NCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823254546 606495876 /nfs/dbraw/zinc/49/58/76/606495876.db2.gz YBTCOIUZCLNZTM-UHFFFAOYSA-N -1 1 351.338 2.460 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000822352189 606573882 /nfs/dbraw/zinc/57/38/82/606573882.db2.gz VYQUTYAMHHEBIF-ZDUSSCGKSA-N -1 1 355.423 2.450 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000822352189 606573883 /nfs/dbraw/zinc/57/38/83/606573883.db2.gz VYQUTYAMHHEBIF-ZDUSSCGKSA-N -1 1 355.423 2.450 20 0 FEADMM CCc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1Br ZINC000821505532 606598612 /nfs/dbraw/zinc/59/86/12/606598612.db2.gz SJXIYFCVPYYFJJ-UHFFFAOYSA-N -1 1 368.220 2.229 20 0 FEADMM CCc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1Br ZINC000821505532 606598613 /nfs/dbraw/zinc/59/86/13/606598613.db2.gz SJXIYFCVPYYFJJ-UHFFFAOYSA-N -1 1 368.220 2.229 20 0 FEADMM COc1ccccc1C(C)=CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821882607 606647423 /nfs/dbraw/zinc/64/74/23/606647423.db2.gz FQTYKWKJSDCAMT-XFXZXTDPSA-N -1 1 351.366 2.417 20 0 FEADMM COc1ccccc1C(C)=CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821882607 606647424 /nfs/dbraw/zinc/64/74/24/606647424.db2.gz FQTYKWKJSDCAMT-XFXZXTDPSA-N -1 1 351.366 2.417 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820550651 606650212 /nfs/dbraw/zinc/65/02/12/606650212.db2.gz YHYLHXCVGLBUST-SNVBAGLBSA-N -1 1 359.773 2.426 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820550651 606650213 /nfs/dbraw/zinc/65/02/13/606650213.db2.gz YHYLHXCVGLBUST-SNVBAGLBSA-N -1 1 359.773 2.426 20 0 FEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000821786692 606650260 /nfs/dbraw/zinc/65/02/60/606650260.db2.gz HSUHMMLOYJLEQS-XQRVVYSFSA-N -1 1 367.365 2.036 20 0 FEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000821786692 606650261 /nfs/dbraw/zinc/65/02/61/606650261.db2.gz HSUHMMLOYJLEQS-XQRVVYSFSA-N -1 1 367.365 2.036 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2c(c(Cl)c1)OCO2 ZINC000823436192 606653895 /nfs/dbraw/zinc/65/38/95/606653895.db2.gz LPHREYPWKVAQSB-UHFFFAOYSA-N -1 1 359.729 2.001 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2c(c(Cl)c1)OCO2 ZINC000823436192 606653896 /nfs/dbraw/zinc/65/38/96/606653896.db2.gz LPHREYPWKVAQSB-UHFFFAOYSA-N -1 1 359.729 2.001 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000820768331 606762979 /nfs/dbraw/zinc/76/29/79/606762979.db2.gz MRYYFWVCNHJGJC-SNVBAGLBSA-N -1 1 359.386 2.318 20 0 FEADMM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822231917 606764163 /nfs/dbraw/zinc/76/41/63/606764163.db2.gz MLQDBHPVFNIOML-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1CCSC1 ZINC000822541658 606801445 /nfs/dbraw/zinc/80/14/45/606801445.db2.gz PGQDPNZINKSDCG-NSHDSACASA-N -1 1 359.411 2.469 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1CCSC1 ZINC000822541658 606801447 /nfs/dbraw/zinc/80/14/47/606801447.db2.gz PGQDPNZINKSDCG-NSHDSACASA-N -1 1 359.411 2.469 20 0 FEADMM Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822259152 606801878 /nfs/dbraw/zinc/80/18/78/606801878.db2.gz NVEFKHNWOABTBJ-UHFFFAOYSA-N -1 1 360.324 2.102 20 0 FEADMM Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822259152 606801879 /nfs/dbraw/zinc/80/18/79/606801879.db2.gz NVEFKHNWOABTBJ-UHFFFAOYSA-N -1 1 360.324 2.102 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1C1CCCC1 ZINC000823605942 606842603 /nfs/dbraw/zinc/84/26/03/606842603.db2.gz DJAKZNMLGMXSDI-CQSZACIVSA-N -1 1 365.434 2.349 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820979434 606843541 /nfs/dbraw/zinc/84/35/41/606843541.db2.gz IDZZIULRNHUOJP-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM C[C@H]1CCC[C@H](C)N(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820697497 606844391 /nfs/dbraw/zinc/84/43/91/606844391.db2.gz HZFQMDRNXOZQBS-QWRGUYRKSA-N -1 1 353.423 2.205 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC000820606762 606867513 /nfs/dbraw/zinc/86/75/13/606867513.db2.gz CJOLMBJXUDELNO-UHFFFAOYSA-N -1 1 373.413 2.492 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC000820606762 606867515 /nfs/dbraw/zinc/86/75/15/606867515.db2.gz CJOLMBJXUDELNO-UHFFFAOYSA-N -1 1 373.413 2.492 20 0 FEADMM CC(C)(C)N1CC[C@](F)(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000810518196 674548638 /nfs/dbraw/zinc/54/86/38/674548638.db2.gz RUMOLNFAWNSZIS-QJWNTBNXSA-N -1 1 354.447 2.316 20 0 FEADMM c1cc([C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)cs1 ZINC000823796433 606949871 /nfs/dbraw/zinc/94/98/71/606949871.db2.gz AIXVFVGUOJNEGQ-AWEZNQCLSA-N -1 1 365.422 2.449 20 0 FEADMM c1cc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)cs1 ZINC000823796433 606949872 /nfs/dbraw/zinc/94/98/72/606949872.db2.gz AIXVFVGUOJNEGQ-AWEZNQCLSA-N -1 1 365.422 2.449 20 0 FEADMM C[C@H](C[C@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820231023 607045678 /nfs/dbraw/zinc/04/56/78/607045678.db2.gz AALPMKZJXMRDID-MFKMUULPSA-N -1 1 351.370 2.327 20 0 FEADMM C[C@H](C[C@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820231023 607045679 /nfs/dbraw/zinc/04/56/79/607045679.db2.gz AALPMKZJXMRDID-MFKMUULPSA-N -1 1 351.370 2.327 20 0 FEADMM COC(=O)CCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821659991 607138715 /nfs/dbraw/zinc/13/87/15/607138715.db2.gz BMXSCNAXMHWFIP-UHFFFAOYSA-N -1 1 351.432 2.172 20 0 FEADMM COC(=O)CCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821659991 607138716 /nfs/dbraw/zinc/13/87/16/607138716.db2.gz BMXSCNAXMHWFIP-UHFFFAOYSA-N -1 1 351.432 2.172 20 0 FEADMM Cn1ccnc1-c1csc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822693440 607169114 /nfs/dbraw/zinc/16/91/14/607169114.db2.gz DTWKBQJQLSUPTN-UHFFFAOYSA-N -1 1 358.412 2.038 20 0 FEADMM Cn1ccnc1-c1csc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822693440 607169115 /nfs/dbraw/zinc/16/91/15/607169115.db2.gz DTWKBQJQLSUPTN-UHFFFAOYSA-N -1 1 358.412 2.038 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccnn2C2CCCC2)n1 ZINC000819971615 607238539 /nfs/dbraw/zinc/23/85/39/607238539.db2.gz OKNULCFZHMEICT-UHFFFAOYSA-N -1 1 369.433 2.382 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccnn2C2CCCC2)n1 ZINC000819971615 607238540 /nfs/dbraw/zinc/23/85/40/607238540.db2.gz OKNULCFZHMEICT-UHFFFAOYSA-N -1 1 369.433 2.382 20 0 FEADMM COc1ccc(OC)c(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826210690 607864548 /nfs/dbraw/zinc/86/45/48/607864548.db2.gz AIGBQHWFCZQYTK-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM COc1ccc(OC)c(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826210690 607864549 /nfs/dbraw/zinc/86/45/49/607864549.db2.gz AIGBQHWFCZQYTK-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM Cc1ccc(C)c(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826284681 607874762 /nfs/dbraw/zinc/87/47/62/607874762.db2.gz BDBURKUIHVGJPM-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1ccc(C)c(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826284681 607874763 /nfs/dbraw/zinc/87/47/63/607874763.db2.gz BDBURKUIHVGJPM-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM O[C@H](COc1ccc(Cl)cc1)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826505162 607875089 /nfs/dbraw/zinc/87/50/89/607875089.db2.gz OIASNBCXFOTABX-LLVKDONJSA-N -1 1 364.764 2.478 20 0 FEADMM O[C@H](COc1ccc(Cl)cc1)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826505162 607875090 /nfs/dbraw/zinc/87/50/90/607875090.db2.gz OIASNBCXFOTABX-LLVKDONJSA-N -1 1 364.764 2.478 20 0 FEADMM Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826298082 607959504 /nfs/dbraw/zinc/95/95/04/607959504.db2.gz CQEAFPCCHOORNN-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826298082 607959505 /nfs/dbraw/zinc/95/95/05/607959505.db2.gz CQEAFPCCHOORNN-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826237116 607989957 /nfs/dbraw/zinc/98/99/57/607989957.db2.gz OJAUYJVECCIEDS-UHFFFAOYSA-N -1 1 358.793 2.059 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826237116 607989958 /nfs/dbraw/zinc/98/99/58/607989958.db2.gz OJAUYJVECCIEDS-UHFFFAOYSA-N -1 1 358.793 2.059 20 0 FEADMM CCc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1C(C)(C)C ZINC000825688431 607998100 /nfs/dbraw/zinc/99/81/00/607998100.db2.gz ZOUDQRTWAFPBFG-UHFFFAOYSA-N -1 1 355.402 2.339 20 0 FEADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000826430139 608102101 /nfs/dbraw/zinc/10/21/01/608102101.db2.gz VCZZKRGJGKHNAN-FYBVGQRMSA-N -1 1 353.498 2.038 20 0 FEADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000826430139 608102102 /nfs/dbraw/zinc/10/21/02/608102102.db2.gz VCZZKRGJGKHNAN-FYBVGQRMSA-N -1 1 353.498 2.038 20 0 FEADMM C[C@@H]1Oc2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cc2NC1=O ZINC000825021805 608172389 /nfs/dbraw/zinc/17/23/89/608172389.db2.gz UOEVQUFXRBXOPN-YFKPBYRVSA-N -1 1 363.790 2.440 20 0 FEADMM C[C@@H]1Oc2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cc2NC1=O ZINC000825021805 608172391 /nfs/dbraw/zinc/17/23/91/608172391.db2.gz UOEVQUFXRBXOPN-YFKPBYRVSA-N -1 1 363.790 2.440 20 0 FEADMM CS(=O)(=O)Cc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826222872 608181436 /nfs/dbraw/zinc/18/14/36/608181436.db2.gz QLQVRSOJMIQWNK-UHFFFAOYSA-N -1 1 370.847 2.265 20 0 FEADMM CS(=O)(=O)Cc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826222872 608181438 /nfs/dbraw/zinc/18/14/38/608181438.db2.gz QLQVRSOJMIQWNK-UHFFFAOYSA-N -1 1 370.847 2.265 20 0 FEADMM NC(=O)C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000826391033 608192908 /nfs/dbraw/zinc/19/29/08/608192908.db2.gz UUOBCOYQSRGCHV-MRVPVSSYSA-N -1 1 355.855 2.213 20 0 FEADMM NC(=O)C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000826391033 608192910 /nfs/dbraw/zinc/19/29/10/608192910.db2.gz UUOBCOYQSRGCHV-MRVPVSSYSA-N -1 1 355.855 2.213 20 0 FEADMM CSCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000826228911 608291815 /nfs/dbraw/zinc/29/18/15/608291815.db2.gz GKIGBRJSBWKOHS-UHFFFAOYSA-N -1 1 366.244 2.307 20 0 FEADMM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc(OC2CCCCC2)n1 ZINC000826516289 608409189 /nfs/dbraw/zinc/40/91/89/608409189.db2.gz FEXDXBULWZMCPQ-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc(OC2CCCCC2)n1 ZINC000826516289 608409190 /nfs/dbraw/zinc/40/91/90/608409190.db2.gz FEXDXBULWZMCPQ-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM Clc1cnc(Br)c(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000826353782 608415723 /nfs/dbraw/zinc/41/57/23/608415723.db2.gz DEJABRCVKAJOBC-UHFFFAOYSA-N -1 1 354.555 2.260 20 0 FEADMM COC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(C(F)(F)F)c1 ZINC000826152252 608421633 /nfs/dbraw/zinc/42/16/33/608421633.db2.gz UJPUGOFNGWYXHZ-GFCCVEGCSA-N -1 1 365.319 2.475 20 0 FEADMM COC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(C(F)(F)F)c1 ZINC000826152252 608421634 /nfs/dbraw/zinc/42/16/34/608421634.db2.gz UJPUGOFNGWYXHZ-GFCCVEGCSA-N -1 1 365.319 2.475 20 0 FEADMM CCC(CC)(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)OC(C)(C)C ZINC000825090154 608425978 /nfs/dbraw/zinc/42/59/78/608425978.db2.gz UVCZSRLTIKKQHX-UHFFFAOYSA-N -1 1 362.438 2.152 20 0 FEADMM CCC(CC)(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)OC(C)(C)C ZINC000825090154 608425979 /nfs/dbraw/zinc/42/59/79/608425979.db2.gz UVCZSRLTIKKQHX-UHFFFAOYSA-N -1 1 362.438 2.152 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NOC2CCCC2)c1-c1nnn[n-]1 ZINC000826231322 608434103 /nfs/dbraw/zinc/43/41/03/608434103.db2.gz GVVLELMDLZHIOC-UHFFFAOYSA-N -1 1 360.443 2.465 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NOC2CCCC2)c1-c1nn[n-]n1 ZINC000826231322 608434104 /nfs/dbraw/zinc/43/41/04/608434104.db2.gz GVVLELMDLZHIOC-UHFFFAOYSA-N -1 1 360.443 2.465 20 0 FEADMM Cn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1cccc(Cl)c1 ZINC000826356462 608434703 /nfs/dbraw/zinc/43/47/03/608434703.db2.gz SANRBDPGQAEIAA-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Cn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1cccc(Cl)c1 ZINC000826356462 608434705 /nfs/dbraw/zinc/43/47/05/608434705.db2.gz SANRBDPGQAEIAA-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Fc1cc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ccc1Cl ZINC000826373029 608439668 /nfs/dbraw/zinc/43/96/68/608439668.db2.gz XDMJYFMMXHEQNF-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM Fc1cc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ccc1Cl ZINC000826373029 608439670 /nfs/dbraw/zinc/43/96/70/608439670.db2.gz XDMJYFMMXHEQNF-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000825444931 608498241 /nfs/dbraw/zinc/49/82/41/608498241.db2.gz SPTBPDXRMUUGMK-UHFFFAOYSA-N -1 1 351.370 2.131 20 0 FEADMM CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000825444931 608498243 /nfs/dbraw/zinc/49/82/43/608498243.db2.gz SPTBPDXRMUUGMK-UHFFFAOYSA-N -1 1 351.370 2.131 20 0 FEADMM CC(C)c1nc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)no1 ZINC000824358878 608662454 /nfs/dbraw/zinc/66/24/54/608662454.db2.gz RDSAEKBBXQNSHQ-LLVKDONJSA-N -1 1 361.431 2.008 20 0 FEADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000824984820 608694565 /nfs/dbraw/zinc/69/45/65/608694565.db2.gz OAGHQHOHKSRYJZ-RYUDHWBXSA-N -1 1 362.434 2.289 20 0 FEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000824984820 608694566 /nfs/dbraw/zinc/69/45/66/608694566.db2.gz OAGHQHOHKSRYJZ-RYUDHWBXSA-N -1 1 362.434 2.289 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826231329 608767160 /nfs/dbraw/zinc/76/71/60/608767160.db2.gz HACPKGACWBJRBZ-MWLCHTKSSA-N -1 1 374.470 2.158 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826231330 608767201 /nfs/dbraw/zinc/76/72/01/608767201.db2.gz HACPKGACWBJRBZ-ONGXEEELSA-N -1 1 374.470 2.158 20 0 FEADMM CC[C@H](C)Oc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC000825076186 609245375 /nfs/dbraw/zinc/24/53/75/609245375.db2.gz UHQMFFFXMHCXOC-NSHDSACASA-N -1 1 354.370 2.191 20 0 FEADMM CC[C@H](C)Oc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC000825076186 609245377 /nfs/dbraw/zinc/24/53/77/609245377.db2.gz UHQMFFFXMHCXOC-NSHDSACASA-N -1 1 354.370 2.191 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826293797 609264341 /nfs/dbraw/zinc/26/43/41/609264341.db2.gz BQXAWLPRCISGOM-DYZYQPBXSA-N -1 1 352.398 2.064 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826293797 609264342 /nfs/dbraw/zinc/26/43/42/609264342.db2.gz BQXAWLPRCISGOM-DYZYQPBXSA-N -1 1 352.398 2.064 20 0 FEADMM CCCc1noc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000825352337 609278537 /nfs/dbraw/zinc/27/85/37/609278537.db2.gz MFEQDNPYCROVMF-UHFFFAOYSA-N -1 1 369.364 2.139 20 0 FEADMM CC[C@H](SC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825159440 609288990 /nfs/dbraw/zinc/28/89/90/609288990.db2.gz OWQQDDFSCDOAFO-NSHDSACASA-N -1 1 361.406 2.272 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CC12CCC2 ZINC000826458262 609289904 /nfs/dbraw/zinc/28/99/04/609289904.db2.gz JPUVOISWEHPRKL-SNVBAGLBSA-N -1 1 353.361 2.320 20 0 FEADMM COCc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826165536 609298163 /nfs/dbraw/zinc/29/81/63/609298163.db2.gz ZJCDRCAZNDNFMX-UHFFFAOYSA-N -1 1 372.410 2.088 20 0 FEADMM Cc1onc(CC(=O)Nc2ccc(F)cc2OC(C)C)c1-c1nnn[n-]1 ZINC000826348444 609472265 /nfs/dbraw/zinc/47/22/65/609472265.db2.gz MJYHFQWBCUBWLU-UHFFFAOYSA-N -1 1 360.349 2.271 20 0 FEADMM Cc1onc(CC(=O)Nc2ccc(F)cc2OC(C)C)c1-c1nn[n-]n1 ZINC000826348444 609472268 /nfs/dbraw/zinc/47/22/68/609472268.db2.gz MJYHFQWBCUBWLU-UHFFFAOYSA-N -1 1 360.349 2.271 20 0 FEADMM Cc1ccncc1C=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826315635 609504678 /nfs/dbraw/zinc/50/46/78/609504678.db2.gz OQYNQSKXLTWHLW-AATRIKPKSA-N -1 1 352.402 2.174 20 0 FEADMM Cc1ccncc1C=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826315635 609504679 /nfs/dbraw/zinc/50/46/79/609504679.db2.gz OQYNQSKXLTWHLW-AATRIKPKSA-N -1 1 352.402 2.174 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3nsnc3c2)n1 ZINC000824148070 609590136 /nfs/dbraw/zinc/59/01/36/609590136.db2.gz MLTZHGCEUQSTPE-UHFFFAOYSA-N -1 1 369.414 2.075 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3nsnc3c2)n1 ZINC000824148070 609590137 /nfs/dbraw/zinc/59/01/37/609590137.db2.gz MLTZHGCEUQSTPE-UHFFFAOYSA-N -1 1 369.414 2.075 20 0 FEADMM Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810904766 674567676 /nfs/dbraw/zinc/56/76/76/674567676.db2.gz ICVPTNHKGGQGQC-CABZTGNLSA-N -1 1 361.364 2.312 20 0 FEADMM O=C(COC(=O)[C@@H]1CCCSC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000811412763 674600944 /nfs/dbraw/zinc/60/09/44/674600944.db2.gz TYVWLUZTPNBPCT-LLVKDONJSA-N -1 1 373.377 2.231 20 0 FEADMM COC(=O)CCCO[N-]C(=O)Cc1c(F)ccc(Br)c1F ZINC000811561162 674613469 /nfs/dbraw/zinc/61/34/69/674613469.db2.gz JRSYEOCNKBVQOS-UHFFFAOYSA-N -1 1 366.158 2.271 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000811835174 674632397 /nfs/dbraw/zinc/63/23/97/674632397.db2.gz OGMRBTVWRFJCBK-NTMALXAHSA-N -1 1 350.371 2.232 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCCCCCC(C)=O)c1 ZINC000812361090 674670094 /nfs/dbraw/zinc/67/00/94/674670094.db2.gz MWVITRIIOQJBTI-UHFFFAOYSA-N -1 1 356.444 2.168 20 0 FEADMM CC(C)OCCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000812804241 674699403 /nfs/dbraw/zinc/69/94/03/674699403.db2.gz DUTOFILZOQKYJX-NSHDSACASA-N -1 1 358.797 2.305 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CC[C@H](c3ccccc3)O2)o1 ZINC000814061456 674814786 /nfs/dbraw/zinc/81/47/86/674814786.db2.gz PKQCWJUOFGGKAD-ZIAGYGMSSA-N -1 1 365.407 2.265 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000562959966 674827818 /nfs/dbraw/zinc/82/78/18/674827818.db2.gz IREWUYJVSREMMV-ZYHUDNBSSA-N -1 1 353.216 2.038 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(Cl)cc2F)C(=O)[N-]C1=S ZINC000814346373 674832598 /nfs/dbraw/zinc/83/25/98/674832598.db2.gz ZMKNZRIZGXBNBZ-XYOKQWHBSA-N -1 1 371.821 2.055 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(C)cc2Cl)C(=O)[N-]C1=S ZINC000814364346 674833897 /nfs/dbraw/zinc/83/38/97/674833897.db2.gz YNEJRBLAPKHASZ-JLHYYAGUSA-N -1 1 367.858 2.224 20 0 FEADMM COC1(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCC(C)CC1 ZINC000563485280 674895185 /nfs/dbraw/zinc/89/51/85/674895185.db2.gz OLLLGKLVOLGGDM-UHFFFAOYSA-N -1 1 369.409 2.313 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000563890321 674950804 /nfs/dbraw/zinc/95/08/04/674950804.db2.gz QZKBKWITYKEUEQ-KRWDZBQOSA-N -1 1 351.472 2.136 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000564688729 675052218 /nfs/dbraw/zinc/05/22/18/675052218.db2.gz ZSBBCXZFNIQMOY-AWEZNQCLSA-N -1 1 351.403 2.619 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(C)cc2Cl)C(=O)[N-]C1=S ZINC000009879219 669985516 /nfs/dbraw/zinc/98/55/16/669985516.db2.gz YNEJRBLAPKHASZ-RAXLEYEMSA-N -1 1 367.858 2.224 20 0 FEADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000021855375 670036123 /nfs/dbraw/zinc/03/61/23/670036123.db2.gz YSSQZHKKFJFOHX-CYBMUJFWSA-N -1 1 362.411 2.407 20 0 FEADMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000564911605 675075258 /nfs/dbraw/zinc/07/52/58/675075258.db2.gz NGWLBPKIZQHABR-NXEZZACHSA-N -1 1 360.646 2.339 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000028251960 670088805 /nfs/dbraw/zinc/08/88/05/670088805.db2.gz LPJADUFSUWIBLG-UHFFFAOYSA-N -1 1 362.407 2.275 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccco1 ZINC000564925192 675078261 /nfs/dbraw/zinc/07/82/61/675078261.db2.gz KOISSXTWNKMWSN-SOUVJXGZSA-N -1 1 351.447 2.415 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(N)=O ZINC000032081886 670125908 /nfs/dbraw/zinc/12/59/08/670125908.db2.gz BVCLMMYKTBKGKF-UHFFFAOYSA-N -1 1 369.786 2.456 20 0 FEADMM O=C(COC(=O)[C@@H]1CCCc2ccccc21)N[N-]C(=O)c1cccs1 ZINC000044422536 670190017 /nfs/dbraw/zinc/19/00/17/670190017.db2.gz AOHUMFCOWVDWCI-CQSZACIVSA-N -1 1 358.419 2.172 20 0 FEADMM COc1ccc(N[C@@H](C)C(=O)NCCC(C)C)cc1[N-]S(C)(=O)=O ZINC000044801799 670195505 /nfs/dbraw/zinc/19/55/05/670195505.db2.gz ZYQVXLKCPXHQNI-LBPRGKRZSA-N -1 1 357.476 2.029 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)o1 ZINC000046316081 670220650 /nfs/dbraw/zinc/22/06/50/670220650.db2.gz AVQNDHOLWSWLRF-LBPRGKRZSA-N -1 1 365.407 2.233 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000046612818 670227533 /nfs/dbraw/zinc/22/75/33/670227533.db2.gz GGNSWKNYABVLQU-SECBINFHSA-N -1 1 353.329 2.474 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2csc(Br)c2)n1 ZINC000047042761 670234479 /nfs/dbraw/zinc/23/44/79/670234479.db2.gz SMVUEIPQRUZOHY-UHFFFAOYSA-N -1 1 358.221 2.136 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCCC1 ZINC000047671679 670247476 /nfs/dbraw/zinc/24/74/76/670247476.db2.gz ZUKMBFXVBVCWTE-UHFFFAOYSA-N -1 1 374.390 2.278 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)o1 ZINC000048243172 670259426 /nfs/dbraw/zinc/25/94/26/670259426.db2.gz WNGSKBRTDRAFKH-UHFFFAOYSA-N -1 1 357.819 2.159 20 0 FEADMM CCC(Nc1ccccc1Br)=C1C(=O)[N-]C(=S)NC1=O ZINC000048403507 670261716 /nfs/dbraw/zinc/26/17/16/670261716.db2.gz KRYQERGZAJBZIY-UHFFFAOYSA-N -1 1 354.229 2.056 20 0 FEADMM O=S(=O)([N-]CC1(N2CCOCC2)CCCCC1)c1cc(F)ccc1F ZINC000048438498 670262823 /nfs/dbraw/zinc/26/28/23/670262823.db2.gz MKVWNIXNWOLHHY-UHFFFAOYSA-N -1 1 374.453 2.278 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccc(OC(F)F)c2)o1 ZINC000051488053 670297429 /nfs/dbraw/zinc/29/74/29/670297429.db2.gz RVUHSUYBTQGJDM-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM CCC(N[C@@H](c1ccco1)c1ccccc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000054506034 670338045 /nfs/dbraw/zinc/33/80/45/670338045.db2.gz FCCQEPNRRMHLKT-OAHLLOKOSA-N -1 1 355.419 2.154 20 0 FEADMM COC(=O)c1ccccc1OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000054563523 670339135 /nfs/dbraw/zinc/33/91/35/670339135.db2.gz XMSZHQGSWTYOJJ-UHFFFAOYSA-N -1 1 362.407 2.125 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1Cl ZINC000056137681 670360219 /nfs/dbraw/zinc/36/02/19/670360219.db2.gz IQXAYJDCSFICET-CHWSQXEVSA-N -1 1 373.837 2.411 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccoc1C(=O)OC ZINC000062295119 670400199 /nfs/dbraw/zinc/40/01/99/670400199.db2.gz WGSRJAUKSIEACF-UHFFFAOYSA-N -1 1 367.379 2.185 20 0 FEADMM CCCn1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1=O ZINC000065857350 670434575 /nfs/dbraw/zinc/43/45/75/670434575.db2.gz DHBOMYUOMNBSSD-UHFFFAOYSA-N -1 1 355.347 2.106 20 0 FEADMM CS(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)CCC1CCCCC1 ZINC000066556257 670443920 /nfs/dbraw/zinc/44/39/20/670443920.db2.gz LPCCXMPBFNLHTR-UHFFFAOYSA-N -1 1 352.456 2.212 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000066638085 670445634 /nfs/dbraw/zinc/44/56/34/670445634.db2.gz MAMBPQGKSPMBED-UHFFFAOYSA-N -1 1 357.439 2.332 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(Cn2cccn2)o1 ZINC000067078717 670452956 /nfs/dbraw/zinc/45/29/56/670452956.db2.gz AJWJFXHEQKBDFM-UHFFFAOYSA-N -1 1 358.427 2.086 20 0 FEADMM COCC1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)CC1 ZINC000565378012 675116113 /nfs/dbraw/zinc/11/61/13/675116113.db2.gz 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Cc1cc(=O)n2[n-]c(NC(=O)[C@H](C)CSCc3ccccc3)nc2n1 ZINC000598837993 673615653 /nfs/dbraw/zinc/61/56/53/673615653.db2.gz IAIPKILPVOUHRH-LLVKDONJSA-N -1 1 357.439 2.234 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c1 ZINC000542938867 673616478 /nfs/dbraw/zinc/61/64/78/673616478.db2.gz XAMVJRZKBKUFNH-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000543048401 673622259 /nfs/dbraw/zinc/62/22/59/673622259.db2.gz KFWYMXHZKOXNHE-RNFRBKRXSA-N -1 1 358.204 2.165 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1Cl ZINC000740893715 673659820 /nfs/dbraw/zinc/65/98/20/673659820.db2.gz BQLRLRCBDFTWJX-UHFFFAOYSA-N -1 1 360.770 2.027 20 0 FEADMM C[S@@](=O)CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740926272 673661427 /nfs/dbraw/zinc/66/14/27/673661427.db2.gz IHBJBIKLZGDWNZ-XMMPIXPASA-N -1 1 356.444 2.238 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4nc[nH]n4)cc3)cc2o1 ZINC000599421249 673673507 /nfs/dbraw/zinc/67/35/07/673673507.db2.gz LZGAMWBAZOHROJ-UHFFFAOYSA-N -1 1 357.351 2.119 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1 ZINC000543948715 673679342 /nfs/dbraw/zinc/67/93/42/673679342.db2.gz FIHKBVXPGOPTNF-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM COCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000544103971 673690014 /nfs/dbraw/zinc/69/00/14/673690014.db2.gz DFWSASGSRQIKOO-LBPRGKRZSA-N -1 1 370.254 2.163 20 0 FEADMM Cn1[n-]c(CSc2nnc(-c3cccc(Br)c3)o2)nc1=O ZINC000544618061 673721359 /nfs/dbraw/zinc/72/13/59/673721359.db2.gz VNKPFXJTMBLJMD-UHFFFAOYSA-N -1 1 368.216 2.213 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cn1 ZINC000544646573 673722793 /nfs/dbraw/zinc/72/27/93/673722793.db2.gz LKHLZNHJGHREBR-HNNXBMFYSA-N -1 1 364.423 2.449 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCOc4ccccc43)no2)co1 ZINC000544715881 673728501 /nfs/dbraw/zinc/72/85/01/673728501.db2.gz QMOLTHTULKJUNY-LBPRGKRZSA-N -1 1 361.379 2.152 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCOc4ccccc43)no2)co1 ZINC000544715880 673728540 /nfs/dbraw/zinc/72/85/40/673728540.db2.gz QMOLTHTULKJUNY-GFCCVEGCSA-N -1 1 361.379 2.152 20 0 FEADMM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000742634444 673733036 /nfs/dbraw/zinc/73/30/36/673733036.db2.gz BFHYOAXKGWZOCK-NSHDSACASA-N -1 1 357.863 2.382 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCC[C@H]2CCCCO2)o1 ZINC000544826525 673734736 /nfs/dbraw/zinc/73/47/36/673734736.db2.gz RLTCCTMJBDGAQK-CYBMUJFWSA-N -1 1 372.487 2.436 20 0 FEADMM Cc1nn2cc(S(=O)(=O)[N-]C3(C(F)(F)F)CCC3)cnc2c1Cl ZINC000544839112 673735614 /nfs/dbraw/zinc/73/56/14/673735614.db2.gz QOHHPHUTLMLOTD-UHFFFAOYSA-N -1 1 368.768 2.454 20 0 FEADMM Cc1cc(Cc2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)no1 ZINC000544976533 673741847 /nfs/dbraw/zinc/74/18/47/673741847.db2.gz OAWLGSZUYZJPSP-SECBINFHSA-N -1 1 354.413 2.058 20 0 FEADMM COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)cc(Cl)c1[O-] ZINC000545179372 673749473 /nfs/dbraw/zinc/74/94/73/673749473.db2.gz MYOIZMFWEICZEI-UHFFFAOYSA-N -1 1 361.829 2.407 20 0 FEADMM O=C([O-])c1c(F)cc(NS(=O)(=O)c2cccc3c2COC3=O)cc1F ZINC000743262573 673754126 /nfs/dbraw/zinc/75/41/26/673754126.db2.gz QPPAQGZRRZRNAO-UHFFFAOYSA-N -1 1 369.301 2.134 20 0 FEADMM CC(C)(CO)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515230 673772692 /nfs/dbraw/zinc/77/26/92/673772692.db2.gz SRYNJESYFPDDRQ-UHFFFAOYSA-N -1 1 363.439 2.380 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCCN(C)CC(F)(F)F)c(=O)[n-]1 ZINC000744154912 673784511 /nfs/dbraw/zinc/78/45/11/673784511.db2.gz IGJVHFQSBTUVPN-UHFFFAOYSA-N -1 1 367.393 2.182 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)cn1 ZINC000600651957 673785944 /nfs/dbraw/zinc/78/59/44/673785944.db2.gz MIPXSLHBGBZZQJ-HNNXBMFYSA-N -1 1 368.386 2.137 20 0 FEADMM COC(=O)c1cncc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1 ZINC000600669116 673790137 /nfs/dbraw/zinc/79/01/37/673790137.db2.gz ZPHZCASFENCCGI-OAHLLOKOSA-N -1 1 368.386 2.137 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1F ZINC000600668778 673790163 /nfs/dbraw/zinc/79/01/63/673790163.db2.gz VNLCNUFMCYLAPZ-UHFFFAOYSA-N -1 1 359.354 2.399 20 0 FEADMM COc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)cc(Cl)c1[O-] ZINC000546593512 673804844 /nfs/dbraw/zinc/80/48/44/673804844.db2.gz OTXCSQIMSUCVEV-UHFFFAOYSA-N -1 1 361.829 2.407 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000546969869 673829674 /nfs/dbraw/zinc/82/96/74/673829674.db2.gz PLLQZZCAINCTFE-YMTOWFKASA-N -1 1 372.874 2.108 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000547243193 673837262 /nfs/dbraw/zinc/83/72/62/673837262.db2.gz BRYJUFXCGSTMNO-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)c1cccs1 ZINC000601342706 673845507 /nfs/dbraw/zinc/84/55/07/673845507.db2.gz DCPMGKLSBMQVKP-GXSJLCMTSA-N -1 1 353.412 2.317 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCC1(F)F)c1cc(C)cc(C)c1 ZINC000601394860 673854966 /nfs/dbraw/zinc/85/49/66/673854966.db2.gz XRPCSNMFEFSPLZ-KGLIPLIRSA-N -1 1 361.410 2.482 20 0 FEADMM CC1(OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC1 ZINC000746297141 673871325 /nfs/dbraw/zinc/87/13/25/673871325.db2.gz SGUQICSHKHOEEC-UHFFFAOYSA-N -1 1 368.455 2.074 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000746347950 673874049 /nfs/dbraw/zinc/87/40/49/673874049.db2.gz FVUVBWMOWXXHKT-FLIBITNWSA-N -1 1 360.391 2.408 20 0 FEADMM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ncn(C)c3Cl)c2c1 ZINC000746400879 673876016 /nfs/dbraw/zinc/87/60/16/673876016.db2.gz MHKDMJHBNKSHKH-UHFFFAOYSA-N -1 1 368.846 2.084 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1C(=O)[O-] ZINC000746598098 673885102 /nfs/dbraw/zinc/88/51/02/673885102.db2.gz QXVRZFCLXIAUAZ-UHFFFAOYSA-N -1 1 370.337 2.269 20 0 FEADMM C[C@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000746601637 673885632 /nfs/dbraw/zinc/88/56/32/673885632.db2.gz PJXZRIJNJZCLAM-QPUJVOFHSA-N -1 1 356.213 2.210 20 0 FEADMM O=C([N-]c1nn2cnnc2s1)c1sc(N2CCCC2)nc1Cl ZINC000746868061 673895563 /nfs/dbraw/zinc/89/55/63/673895563.db2.gz BPPNIASKSBXQSM-UHFFFAOYSA-N -1 1 355.836 2.148 20 0 FEADMM CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2ncccc2[O-])cc1 ZINC000547976217 673911059 /nfs/dbraw/zinc/91/10/59/673911059.db2.gz CVDSVUYWYCMGKB-UHFFFAOYSA-N -1 1 362.451 2.288 20 0 FEADMM C[C@H](C(F)(F)F)S(=O)(=O)NCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000548027423 673915945 /nfs/dbraw/zinc/91/59/45/673915945.db2.gz PUCFBXYHVOMDFK-ZYHUDNBSSA-N -1 1 353.362 2.190 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(N(C)CC(F)F)CC1 ZINC000747410472 673926831 /nfs/dbraw/zinc/92/68/31/673926831.db2.gz VVAZNXHXBPWUKR-UHFFFAOYSA-N -1 1 360.430 2.014 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)o1 ZINC000548212594 673935651 /nfs/dbraw/zinc/93/56/51/673935651.db2.gz BQGPNPXDDVVBTD-UHFFFAOYSA-N -1 1 359.743 2.219 20 0 FEADMM CN1C(=S)N=NC1CCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000818193977 675204002 /nfs/dbraw/zinc/20/40/02/675204002.db2.gz WMPVFKREQBFHTD-UHFFFAOYSA-N -1 1 360.361 2.191 20 0 FEADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000566583030 675226342 /nfs/dbraw/zinc/22/63/42/675226342.db2.gz YNGNCWCXGLNHFO-UHFFFAOYSA-N -1 1 362.407 2.308 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000566804923 675244355 /nfs/dbraw/zinc/24/43/55/675244355.db2.gz BKVMDEUVEFHARQ-MRVPVSSYSA-N -1 1 356.304 2.255 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000566804928 675244360 /nfs/dbraw/zinc/24/43/60/675244360.db2.gz BKVMDEUVEFHARQ-QMMMGPOBSA-N -1 1 356.304 2.255 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000615364564 676213250 /nfs/dbraw/zinc/21/32/50/676213250.db2.gz PSLNLBGGCYDDNE-JTQLQIEISA-N -1 1 355.316 2.107 20 0 FEADMM COC(=O)Cc1csc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000615468600 676216301 /nfs/dbraw/zinc/21/63/01/676216301.db2.gz GVAQOSVRCWNWLP-UHFFFAOYSA-N -1 1 356.787 2.479 20 0 FEADMM C[C@@H]1CN=C(NC(=O)c2ccc(I)c([O-])c2)S1 ZINC000819775493 675314502 /nfs/dbraw/zinc/31/45/02/675314502.db2.gz HAYOMAYVHNQHDJ-ZCFIWIBFSA-N -1 1 362.192 2.218 20 0 FEADMM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)CS2 ZINC000567942047 675337950 /nfs/dbraw/zinc/33/79/50/675337950.db2.gz DXBQLYOMLSSSAM-CXAGYDPISA-N -1 1 358.423 2.175 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CC(=O)N2 ZINC000820511900 675366738 /nfs/dbraw/zinc/36/67/38/675366738.db2.gz FCMWCWBGKRYVMO-MRVPVSSYSA-N -1 1 355.379 2.341 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CC(=O)N2 ZINC000820511900 675366740 /nfs/dbraw/zinc/36/67/40/675366740.db2.gz FCMWCWBGKRYVMO-MRVPVSSYSA-N -1 1 355.379 2.341 20 0 FEADMM CS(=O)(=O)c1ccc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000568641123 675388585 /nfs/dbraw/zinc/38/85/85/675388585.db2.gz DWYBPUNKJBCHHR-LJQANCHMSA-N -1 1 359.447 2.318 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(Cl)cnc1Br ZINC000820798100 675389337 /nfs/dbraw/zinc/38/93/37/675389337.db2.gz UVINHHADEKWQPL-UHFFFAOYSA-N -1 1 365.640 2.340 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822034975 675466841 /nfs/dbraw/zinc/46/68/41/675466841.db2.gz NHSCXCCRQCHQIP-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822231683 675473609 /nfs/dbraw/zinc/47/36/09/675473609.db2.gz CXIMOHPBGLSGFW-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822231683 675473612 /nfs/dbraw/zinc/47/36/12/675473612.db2.gz CXIMOHPBGLSGFW-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM CSc1nc(CNC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc(=O)[n-]1 ZINC000824602863 675612980 /nfs/dbraw/zinc/61/29/80/675612980.db2.gz LYKOADZCOAXLME-DTWKUNHWSA-N -1 1 351.350 2.020 20 0 FEADMM CSc1nc(CNC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc(=O)[n-]1 ZINC000824602865 675613109 /nfs/dbraw/zinc/61/31/09/675613109.db2.gz LYKOADZCOAXLME-RKDXNWHRSA-N -1 1 351.350 2.020 20 0 FEADMM Cn1cnnc1[C@@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000824832095 675624495 /nfs/dbraw/zinc/62/44/95/675624495.db2.gz QICFXKCRODFFQZ-SNVBAGLBSA-N -1 1 365.167 2.064 20 0 FEADMM CCOC(=O)c1cnn(Cc2csc(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC000825571311 675659276 /nfs/dbraw/zinc/65/92/76/675659276.db2.gz XQQZYWFGQSHZRL-UHFFFAOYSA-N -1 1 361.431 2.042 20 0 FEADMM CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc3n[n-]c(=S)n3c1)CC2 ZINC000825988068 675676906 /nfs/dbraw/zinc/67/69/06/675676906.db2.gz RTKMKWVHKMCYDL-ZDUSSCGKSA-N -1 1 356.455 2.083 20 0 FEADMM CC(C)[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCS1 ZINC000826741583 675703000 /nfs/dbraw/zinc/70/30/00/675703000.db2.gz IAUFFEXWXDOBCG-SJORKVTESA-N -1 1 362.495 2.098 20 0 FEADMM O=C(c1cccc(SC(F)(F)F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826833221 675709361 /nfs/dbraw/zinc/70/93/61/675709361.db2.gz ABZNVSATURFJJV-JTQLQIEISA-N -1 1 359.333 2.025 20 0 FEADMM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000827980052 675790278 /nfs/dbraw/zinc/79/02/78/675790278.db2.gz ZGKJYRTZCLBVHS-JTQLQIEISA-N -1 1 365.459 2.051 20 0 FEADMM Cc1cc(Br)ccc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381402 675812234 /nfs/dbraw/zinc/81/22/34/675812234.db2.gz LUJOMKJZWRHNLQ-UHFFFAOYSA-N -1 1 350.220 2.470 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(C)n1CC(F)(F)F ZINC000605531839 675817803 /nfs/dbraw/zinc/81/78/03/675817803.db2.gz QDDMFWWOBIDFKO-UHFFFAOYSA-N -1 1 356.352 2.380 20 0 FEADMM O=C(c1cc(F)cc(Br)c1F)N1CCC(c2nn[n-]n2)CC1 ZINC000828416994 675818330 /nfs/dbraw/zinc/81/83/30/675818330.db2.gz QVRNLGLZONJKLP-UHFFFAOYSA-N -1 1 372.173 2.260 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4nccn4c3)c(F)cc2N1 ZINC000606752128 675840157 /nfs/dbraw/zinc/84/01/57/675840157.db2.gz JWQKANMARXXSPL-UHFFFAOYSA-N -1 1 360.370 2.159 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(F)c(Br)c1 ZINC000608137639 675885824 /nfs/dbraw/zinc/88/58/24/675885824.db2.gz WYPNNSUDWOKGBM-UHFFFAOYSA-N -1 1 354.183 2.301 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N(CCOCCO)C1CCC1 ZINC000616953938 676264125 /nfs/dbraw/zinc/26/41/25/676264125.db2.gz DHVRCLOFUNUURE-UHFFFAOYSA-N -1 1 358.232 2.158 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000618202434 676324569 /nfs/dbraw/zinc/32/45/69/676324569.db2.gz BBVFFZANFBJMKB-GXFFZTMASA-N -1 1 359.813 2.335 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1F ZINC000618486426 676342165 /nfs/dbraw/zinc/34/21/65/676342165.db2.gz BBXZVDGCXTXUQO-UHFFFAOYSA-N -1 1 355.391 2.434 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC([C@@H]2CCOC2)C1 ZINC000619423045 676375964 /nfs/dbraw/zinc/37/59/64/676375964.db2.gz QWTAPCPXRIXINU-SNVBAGLBSA-N -1 1 373.190 2.105 20 0 FEADMM COc1cc(C(=O)N2CC[C@H](CN3CCCC3=O)C2)cc(Cl)c1[O-] ZINC000620247857 676411542 /nfs/dbraw/zinc/41/15/42/676411542.db2.gz DUGIUGZVGJHSRU-LLVKDONJSA-N -1 1 352.818 2.139 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000620777144 676428277 /nfs/dbraw/zinc/42/82/77/676428277.db2.gz IARZWDYZHZVBTJ-MRVPVSSYSA-N -1 1 351.350 2.006 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CN(C)Cc3ccccc32)c(F)c1 ZINC000677423280 679680239 /nfs/dbraw/zinc/68/02/39/679680239.db2.gz BCQLAGVRFPTXQR-INIZCTEOSA-N -1 1 368.405 2.438 20 0 FEADMM CSc1ccc(CCCC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc1 ZINC000622869881 676509214 /nfs/dbraw/zinc/50/92/14/676509214.db2.gz KIGYNMDEIABPOS-UHFFFAOYSA-N -1 1 357.439 2.409 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ncccc3SCC)nc2n1 ZINC000622997829 676514823 /nfs/dbraw/zinc/51/48/23/676514823.db2.gz MZCFBVAALUITRU-UHFFFAOYSA-N -1 1 358.427 2.129 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cnc([C@H]2CCCO2)s1 ZINC000677657059 679691253 /nfs/dbraw/zinc/69/12/53/679691253.db2.gz JBDBFNPBBIRBII-YPMHNXCESA-N -1 1 356.411 2.027 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C)C1CC1 ZINC000624952391 676605049 /nfs/dbraw/zinc/60/50/49/676605049.db2.gz SRJSBBSMFQFJMB-KBPBESRZSA-N -1 1 357.476 2.379 20 0 FEADMM Cc1cc(C2([N-]S(=O)(=O)c3sc(C)nc3C)CCOCC2)on1 ZINC000625653450 676665164 /nfs/dbraw/zinc/66/51/64/676665164.db2.gz QXKGRDRETFZZBK-UHFFFAOYSA-N -1 1 357.457 2.041 20 0 FEADMM CCC(O)(CC)CN(C)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000626408178 676704568 /nfs/dbraw/zinc/70/45/68/676704568.db2.gz MTFYSDSFUDLSEK-UHFFFAOYSA-N -1 1 373.475 2.082 20 0 FEADMM CN(C)[C@@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1c(F)cccc1Cl ZINC000677925226 679704474 /nfs/dbraw/zinc/70/44/74/679704474.db2.gz CJOBHWIYAGVBBN-IINYFYTJSA-N -1 1 366.828 2.001 20 0 FEADMM CCOc1cc(C(=O)NC2CC(N3CCOCC3)C2)cc(Cl)c1[O-] ZINC000627929115 676780343 /nfs/dbraw/zinc/78/03/43/676780343.db2.gz XSPJJHNTGMRICU-UHFFFAOYSA-N -1 1 354.834 2.037 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)CCOCC1 ZINC000629290464 676841354 /nfs/dbraw/zinc/84/13/54/676841354.db2.gz ZGYPTEXDZSXUBQ-UHFFFAOYSA-N -1 1 365.455 2.404 20 0 FEADMM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629376147 676852403 /nfs/dbraw/zinc/85/24/03/676852403.db2.gz DYLOBHLTENJIAN-CQSZACIVSA-N -1 1 360.439 2.218 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3c(F)cccc3F)CCC2)o1 ZINC000629934300 676876228 /nfs/dbraw/zinc/87/62/28/676876228.db2.gz DFXAXUAXOYJNAP-UHFFFAOYSA-N -1 1 370.377 2.275 20 0 FEADMM C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000630127705 676883750 /nfs/dbraw/zinc/88/37/50/676883750.db2.gz UTFDDYUTSXHJFN-TVQRCGJNSA-N -1 1 366.215 2.293 20 0 FEADMM CCC(CC)n1nc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1C ZINC000630217837 676887578 /nfs/dbraw/zinc/88/75/78/676887578.db2.gz ASWRNHWZLYUUMY-ZDUSSCGKSA-N -1 1 350.463 2.174 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000630217702 676887596 /nfs/dbraw/zinc/88/75/96/676887596.db2.gz AIRINIKBMAFUHS-XQQFMLRXSA-N -1 1 350.381 2.363 20 0 FEADMM CCCCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000630806012 676922660 /nfs/dbraw/zinc/92/26/60/676922660.db2.gz DMPFLEYQSDIEKC-CYBMUJFWSA-N -1 1 359.875 2.404 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000630869146 676924562 /nfs/dbraw/zinc/92/45/62/676924562.db2.gz DMLQEQPLZFVWJX-CYBMUJFWSA-N -1 1 354.859 2.016 20 0 FEADMM O=C(CCc1nn[n-]n1)NC1(c2ccc(Br)cc2)CCCC1 ZINC000630915304 676926108 /nfs/dbraw/zinc/92/61/08/676926108.db2.gz PFELWYJLGRHGPG-UHFFFAOYSA-N -1 1 364.247 2.481 20 0 FEADMM CCOCc1ccccc1CNS(=O)(=O)c1cc(OC)ccc1[O-] ZINC000631722921 676953772 /nfs/dbraw/zinc/95/37/72/676953772.db2.gz KVKCQEQZJAXZMS-UHFFFAOYSA-N -1 1 351.424 2.416 20 0 FEADMM COC1(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)CCCC1 ZINC000631812297 676958673 /nfs/dbraw/zinc/95/86/73/676958673.db2.gz FNICBRPOJMYAJZ-UHFFFAOYSA-N -1 1 351.428 2.115 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCNC(=O)NC1CCCCC1 ZINC000631879266 676961565 /nfs/dbraw/zinc/96/15/65/676961565.db2.gz PZALDCIPSDWNCP-UHFFFAOYSA-N -1 1 353.850 2.336 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N(C)[C@@H](CCO)c2ccccc2)c1 ZINC000632040283 676972365 /nfs/dbraw/zinc/97/23/65/676972365.db2.gz BQLAPJNZEVKGSB-HNNXBMFYSA-N -1 1 351.424 2.145 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000632097306 676975521 /nfs/dbraw/zinc/97/55/21/676975521.db2.gz GJXTXICLJXTVRU-AWEZNQCLSA-N -1 1 355.437 2.225 20 0 FEADMM CC(C)OCCCNC(=O)Cc1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632112284 676976404 /nfs/dbraw/zinc/97/64/04/676976404.db2.gz SRGYNMBFJCVOPP-UHFFFAOYSA-N -1 1 367.833 2.493 20 0 FEADMM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCO1 ZINC000632185492 676980482 /nfs/dbraw/zinc/98/04/82/676980482.db2.gz GCUOLFZTZUSKCU-UWVGGRQHSA-N -1 1 355.382 2.301 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]CCCOCCOCc2ccccc2)sn1 ZINC000632194718 676980890 /nfs/dbraw/zinc/98/08/90/676980890.db2.gz YHWQCZVXBCRHIA-UHFFFAOYSA-N -1 1 370.496 2.353 20 0 FEADMM COc1ccc([C@@H]([N-]S(=O)(=O)CC2(N(C)C)CC2)C(F)(F)F)cc1 ZINC000632195469 676980935 /nfs/dbraw/zinc/98/09/35/676980935.db2.gz URHKNBUCRMSHFZ-CYBMUJFWSA-N -1 1 366.405 2.312 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000632227282 676982694 /nfs/dbraw/zinc/98/26/94/676982694.db2.gz TWSQRTBXKRRSQW-GOSISDBHSA-N -1 1 361.419 2.221 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)sn1 ZINC000632261684 676984287 /nfs/dbraw/zinc/98/42/87/676984287.db2.gz WOUMQUAHTNPPNI-ZDUSSCGKSA-N -1 1 357.501 2.054 20 0 FEADMM CCCn1ccnc1CCCN(C)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000632276559 676985125 /nfs/dbraw/zinc/98/51/25/676985125.db2.gz ONIUTAMFTLVCKB-UHFFFAOYSA-N -1 1 367.471 2.261 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cscc2Br)n1 ZINC000632317225 676987654 /nfs/dbraw/zinc/98/76/54/676987654.db2.gz OPFWOPOCLBKTBU-UHFFFAOYSA-N -1 1 366.262 2.416 20 0 FEADMM Cc1nocc1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000632397756 676991908 /nfs/dbraw/zinc/99/19/08/676991908.db2.gz KWPPJBXBHMBPNA-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000632483820 676997072 /nfs/dbraw/zinc/99/70/72/676997072.db2.gz MIRRHBRYDDMJRJ-KRWDZBQOSA-N -1 1 367.467 2.371 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC([C@H]3CCCCO3)CC2)c1 ZINC000632563423 677002150 /nfs/dbraw/zinc/00/21/50/677002150.db2.gz RTKWHAJHAHFKAW-MRXNPFEDSA-N -1 1 355.456 2.371 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)c(C(F)(F)F)n1 ZINC000632705756 677011180 /nfs/dbraw/zinc/01/11/80/677011180.db2.gz WGHNOTIXNGEUJE-JQWIXIFHSA-N -1 1 367.393 2.065 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(OC)ccc2C2CC2)o1 ZINC000829842215 677014752 /nfs/dbraw/zinc/01/47/52/677014752.db2.gz YNZJQSOHMCQJHI-UHFFFAOYSA-N -1 1 350.396 2.326 20 0 FEADMM O=C(CCc1nn[n-]n1)NCC1(c2ccc(Br)s2)CCC1 ZINC000633004705 677025868 /nfs/dbraw/zinc/02/58/68/677025868.db2.gz FJJJOGAHPVEVAQ-UHFFFAOYSA-N -1 1 370.276 2.194 20 0 FEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NN1CCC(C(C)(C)C)CC1 ZINC000830254708 677032269 /nfs/dbraw/zinc/03/22/69/677032269.db2.gz XPDANFKOGLWAIV-LBPRGKRZSA-N -1 1 351.413 2.479 20 0 FEADMM CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC000830638838 677051927 /nfs/dbraw/zinc/05/19/27/677051927.db2.gz UYJMFIIBJLFUHX-GFCCVEGCSA-N -1 1 357.863 2.373 20 0 FEADMM CS(=O)(=O)C1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000633629486 677057849 /nfs/dbraw/zinc/05/78/49/677057849.db2.gz YKKHFBJAQXPZGI-UHFFFAOYSA-N -1 1 359.875 2.452 20 0 FEADMM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000830763501 677059571 /nfs/dbraw/zinc/05/95/71/677059571.db2.gz GDPUJIVBZREXRL-UHFFFAOYSA-N -1 1 351.856 2.242 20 0 FEADMM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000830777949 677060010 /nfs/dbraw/zinc/06/00/10/677060010.db2.gz HLJMDEKOSXURSM-HOTGVXAUSA-N -1 1 355.456 2.025 20 0 FEADMM CO[C@](C)(C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000830823881 677063350 /nfs/dbraw/zinc/06/33/50/677063350.db2.gz WYYUKWRPVYAIOT-CVEARBPZSA-N -1 1 358.360 2.218 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCOCc2ccccc2)C1 ZINC000830829259 677063703 /nfs/dbraw/zinc/06/37/03/677063703.db2.gz WESXXFFAORNSOD-MRXNPFEDSA-N -1 1 358.360 2.263 20 0 FEADMM COc1ccc(CCC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000830841577 677064496 /nfs/dbraw/zinc/06/44/96/677064496.db2.gz RXGTYXGUQVDKOG-INIZCTEOSA-N -1 1 358.360 2.297 20 0 FEADMM COC(C)(C)c1nc(=NC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)s[n-]1 ZINC000634148083 677071853 /nfs/dbraw/zinc/07/18/53/677071853.db2.gz GSDJXLXHYZXXEZ-UONOGXRCSA-N -1 1 360.483 2.125 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1c2c(nn1C)CCCC2 ZINC000634264484 677073566 /nfs/dbraw/zinc/07/35/66/677073566.db2.gz FPPXQVFFCYLOHE-UHFFFAOYSA-N -1 1 362.455 2.313 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000634789020 677082379 /nfs/dbraw/zinc/08/23/79/677082379.db2.gz UJCIAVZRNOLYAR-MRXNPFEDSA-N -1 1 353.444 2.197 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)C[C@@]3(OC(C)C)CCOC3)ccc12 ZINC000634792929 677082869 /nfs/dbraw/zinc/08/28/69/677082869.db2.gz NZLNNGOOKIEYEJ-QGZVFWFLSA-N -1 1 367.471 2.208 20 0 FEADMM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)CCCc1nn[n-]n1 ZINC000635415756 677098325 /nfs/dbraw/zinc/09/83/25/677098325.db2.gz WORJNIYVUIYIMZ-JTQLQIEISA-N -1 1 357.336 2.125 20 0 FEADMM CSc1nc(CNC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)cc(=O)[n-]1 ZINC000640654860 677185241 /nfs/dbraw/zinc/18/52/41/677185241.db2.gz BWUKFROZQGJMOZ-ZJUUUORDSA-N -1 1 365.377 2.268 20 0 FEADMM CSc1nc(CNC(=O)CCC(=O)c2c(F)cccc2F)cc(=O)[n-]1 ZINC000640655053 677185354 /nfs/dbraw/zinc/18/53/54/677185354.db2.gz JBPFQEIMEATJPH-UHFFFAOYSA-N -1 1 367.377 2.462 20 0 FEADMM COc1ccc(COCCC(=O)NCc2cc(=O)[n-]c(SC)n2)cc1 ZINC000640657123 677185458 /nfs/dbraw/zinc/18/54/58/677185458.db2.gz AYZCBLPWIACTIS-UHFFFAOYSA-N -1 1 363.439 2.136 20 0 FEADMM COc1cccc(CO[C@H](C)C(=O)NCc2cc(=O)[n-]c(SC)n2)c1 ZINC000640659007 677185473 /nfs/dbraw/zinc/18/54/73/677185473.db2.gz VXTGROFPIHDFPH-LLVKDONJSA-N -1 1 363.439 2.134 20 0 FEADMM CSc1nc(CNC(=O)c2cccnc2OCC(F)(F)F)cc(=O)[n-]1 ZINC000640658702 677185519 /nfs/dbraw/zinc/18/55/19/677185519.db2.gz QYVFMZJEMQZKGU-UHFFFAOYSA-N -1 1 374.344 2.170 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2cccnc2)c(F)c1 ZINC000641592511 677210765 /nfs/dbraw/zinc/21/07/65/677210765.db2.gz MJFIPKMQRJFZOG-AAEUAGOBSA-N -1 1 354.378 2.450 20 0 FEADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3cccc(CCO)c3)ccc2N1 ZINC000641693872 677214238 /nfs/dbraw/zinc/21/42/38/677214238.db2.gz XZUAXLNUNKAERT-UHFFFAOYSA-N -1 1 360.435 2.297 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC000641703969 677214473 /nfs/dbraw/zinc/21/44/73/677214473.db2.gz AEWWSVODQOHBCE-OCCSQVGLSA-N -1 1 363.357 2.401 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3occc3s2)c1 ZINC000642990331 677222681 /nfs/dbraw/zinc/22/26/81/677222681.db2.gz ZSYAGKDHWTXSRU-UHFFFAOYSA-N -1 1 352.393 2.360 20 0 FEADMM O=C(c1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000644884175 677250786 /nfs/dbraw/zinc/25/07/86/677250786.db2.gz DSWWYSWAOZNVAD-VIFPVBQESA-N -1 1 353.281 2.117 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c(C(F)(F)F)n1 ZINC000645080426 677253221 /nfs/dbraw/zinc/25/32/21/677253221.db2.gz OAYVINOSKCBQPX-SNVBAGLBSA-N -1 1 367.393 2.209 20 0 FEADMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1 ZINC000645672860 677268142 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O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000907052628 691381127 /nfs/dbraw/zinc/38/11/27/691381127.db2.gz JIZXZGMHAGZPSL-HNNXBMFYSA-N -1 1 352.456 2.070 20 0 FEADMM C[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000907413772 691474986 /nfs/dbraw/zinc/47/49/86/691474986.db2.gz OZCMGJMTAQLZLO-ZEGGKSINSA-N -1 1 353.785 2.013 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2CCOc3c(F)cccc32)c1 ZINC000907442567 691483298 /nfs/dbraw/zinc/48/32/98/691483298.db2.gz HRQLCTOIGQSIQC-CYBMUJFWSA-N -1 1 353.371 2.342 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CC2CCC2)c1)c1ccc(Cl)nc1F ZINC000907454191 691486579 /nfs/dbraw/zinc/48/65/79/691486579.db2.gz IDKOMIKPTBQBHU-UHFFFAOYSA-N -1 1 358.826 2.349 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC[C@H]1CCC(C)(C)CO1 ZINC000907460689 691488819 /nfs/dbraw/zinc/48/88/19/691488819.db2.gz ZOJADPXZSDPQBI-GTJPDFRWSA-N -1 1 354.538 2.312 20 0 FEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478162 691495665 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CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)CCO2 ZINC000908018232 691599371 /nfs/dbraw/zinc/59/93/71/691599371.db2.gz DQEWZANJWNCOQW-NFAWXSAZSA-N -1 1 353.431 2.417 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2c(C)csc2C)[n-]c1=O ZINC000908018320 691599554 /nfs/dbraw/zinc/59/95/54/691599554.db2.gz DCCXDOCBRBJKDR-NSHDSACASA-N -1 1 369.468 2.395 20 0 FEADMM COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2[O-])nc1 ZINC000908137820 691622491 /nfs/dbraw/zinc/62/24/91/691622491.db2.gz UBEJBSNFJIYGDP-HNNXBMFYSA-N -1 1 364.423 2.330 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC12CCCC2)c1ncccc1Br ZINC000908192485 691635060 /nfs/dbraw/zinc/63/50/60/691635060.db2.gz QFQSAUMXDKZMQK-NSHDSACASA-N -1 1 361.261 2.224 20 0 FEADMM CN(C)C(=O)N1CCC(C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908714294 691717549 /nfs/dbraw/zinc/71/75/49/691717549.db2.gz HXIDOWDONGSGFY-UHFFFAOYSA-N -1 1 370.247 2.487 20 0 FEADMM C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC000908721521 691718908 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691876234 /nfs/dbraw/zinc/87/62/34/691876234.db2.gz FGULQMIWHUZELT-XKHMUCLZSA-N -1 1 352.475 2.027 20 0 FEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br)C1CCC1 ZINC000909955008 691876631 /nfs/dbraw/zinc/87/66/31/691876631.db2.gz PYJDILPJXDZXJS-CQSZACIVSA-N -1 1 355.232 2.175 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)n1 ZINC000909988913 691879268 /nfs/dbraw/zinc/87/92/68/691879268.db2.gz ITBISSJIOXBGKR-VIFPVBQESA-N -1 1 350.341 2.092 20 0 FEADMM CN(CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-])[C@@H]1CCSC1 ZINC000910108445 691888488 /nfs/dbraw/zinc/88/84/88/691888488.db2.gz RBVNTYHZXRKEIQ-APWZRJJASA-N -1 1 362.495 2.112 20 0 FEADMM CCN(CC)[C@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910146549 691894006 /nfs/dbraw/zinc/89/40/06/691894006.db2.gz JPIJPRKKCVITCN-HOTGVXAUSA-N -1 1 350.484 2.346 20 0 FEADMM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000910220980 691902765 /nfs/dbraw/zinc/90/27/65/691902765.db2.gz UTMKYFFOLAYVPQ-AWEZNQCLSA-N -1 1 355.803 2.107 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NC2(c3c(F)cccc3F)CCC2)C1 ZINC000910255527 691907221 /nfs/dbraw/zinc/90/72/21/691907221.db2.gz QNIHYGHXERNYMA-LBPRGKRZSA-N -1 1 352.381 2.257 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000780507363 939129845 /nfs/dbraw/zinc/12/98/45/939129845.db2.gz ROBBDOWQCUQSNP-HNNXBMFYSA-N -1 1 351.366 2.097 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000780507363 939129847 /nfs/dbraw/zinc/12/98/47/939129847.db2.gz ROBBDOWQCUQSNP-HNNXBMFYSA-N -1 1 351.366 2.097 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC001119640979 939815340 /nfs/dbraw/zinc/81/53/40/939815340.db2.gz RLIQZECCPUUWEI-GFCCVEGCSA-N -1 1 359.348 2.225 20 0 FEADMM C[C@@H](Cn1cccn1)NC(=O)c1ccc(I)c([O-])c1 ZINC000230888825 548761755 /nfs/dbraw/zinc/76/17/55/548761755.db2.gz ZVDDHNFWJFDIPB-VIFPVBQESA-N -1 1 371.178 2.012 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)n1 ZINC000011443705 539528783 /nfs/dbraw/zinc/52/87/83/539528783.db2.gz OKNGYXBQYGGIPF-DGCLKSJQSA-N -1 1 366.487 2.219 20 0 FEADMM O=S1(=O)NC(CSc2n[n-]c(=NC3CC3)s2)=Nc2ccccc21 ZINC000522995584 539594209 /nfs/dbraw/zinc/59/42/09/539594209.db2.gz FCFRVDWKWHIXAQ-UHFFFAOYSA-N -1 1 367.481 2.227 20 0 FEADMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000549875975 674068562 /nfs/dbraw/zinc/06/85/62/674068562.db2.gz HWNFZLUKHBOZBQ-GFCCVEGCSA-N -1 1 352.250 2.262 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)OC)c2)cc1 ZINC000024957418 539744640 /nfs/dbraw/zinc/74/46/40/539744640.db2.gz GMTHLFIODZHHSP-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000029044945 539841294 /nfs/dbraw/zinc/84/12/94/539841294.db2.gz MKMMKDVPEAHCLG-UHFFFAOYSA-N -1 1 360.844 2.049 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000031552206 539910717 /nfs/dbraw/zinc/91/07/17/539910717.db2.gz LXNLTNYRYKZSMH-UHFFFAOYSA-N -1 1 364.301 2.339 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1C(N)=O ZINC000032081763 539927974 /nfs/dbraw/zinc/92/79/74/539927974.db2.gz CVJIHORYSWCBAO-UHFFFAOYSA-N -1 1 360.435 2.474 20 0 FEADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000032591627 539944184 /nfs/dbraw/zinc/94/41/84/539944184.db2.gz ZVAKDHZDYLZJRX-UHFFFAOYSA-N -1 1 352.387 2.303 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000032631146 539946368 /nfs/dbraw/zinc/94/63/68/539946368.db2.gz KTHIOHTVIOYNJI-UHFFFAOYSA-N -1 1 365.407 2.299 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCO1 ZINC000041270683 540015491 /nfs/dbraw/zinc/01/54/91/540015491.db2.gz HXFZTRLYDXWTLV-CQSZACIVSA-N -1 1 360.435 2.348 20 0 FEADMM O=C(NC[C@@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000041371377 540018502 /nfs/dbraw/zinc/01/85/02/540018502.db2.gz DBBINUYLCCDWTG-AWEZNQCLSA-N -1 1 360.435 2.254 20 0 FEADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)cc2C1=O ZINC000042624154 540070736 /nfs/dbraw/zinc/07/07/36/540070736.db2.gz OZESUQWNNKHXCA-UHFFFAOYSA-N -1 1 356.403 2.202 20 0 FEADMM CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000042795665 540078885 /nfs/dbraw/zinc/07/88/85/540078885.db2.gz XHTUDXMMAWETGO-UHFFFAOYSA-N -1 1 369.370 2.489 20 0 FEADMM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000044331559 540124856 /nfs/dbraw/zinc/12/48/56/540124856.db2.gz GZCSDDOHSKSDAT-UHFFFAOYSA-N -1 1 368.480 2.484 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801829 540141598 /nfs/dbraw/zinc/14/15/98/540141598.db2.gz QIPYKPVQEKEDLH-LLVKDONJSA-N -1 1 357.476 2.172 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)n1 ZINC000046615342 540263720 /nfs/dbraw/zinc/26/37/20/540263720.db2.gz UUONAELNBGHYSF-NSHDSACASA-N -1 1 361.402 2.198 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000047367605 540305916 /nfs/dbraw/zinc/30/59/16/540305916.db2.gz JKEVXUHRXHAWCW-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)cc2N1 ZINC000048230613 540352889 /nfs/dbraw/zinc/35/28/89/540352889.db2.gz CYWKGTJTSQSFNW-UHFFFAOYSA-N -1 1 371.374 2.473 20 0 FEADMM Cc1occc1C(=O)NCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000051286249 540429737 /nfs/dbraw/zinc/42/97/37/540429737.db2.gz NYKJCXRAMGCXMT-UHFFFAOYSA-N -1 1 370.405 2.145 20 0 FEADMM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000052920487 540499442 /nfs/dbraw/zinc/49/94/42/540499442.db2.gz HBXDZGIPDRRYCF-INIZCTEOSA-N -1 1 373.478 2.062 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCN(CC(F)(F)F)CC1 ZINC000054372160 540585954 /nfs/dbraw/zinc/58/59/54/540585954.db2.gz LILWJTGRNFURKG-UHFFFAOYSA-N -1 1 367.165 2.475 20 0 FEADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000063886540 541190578 /nfs/dbraw/zinc/19/05/78/541190578.db2.gz FGYARHROFNPQSF-UHFFFAOYSA-N -1 1 361.391 2.310 20 0 FEADMM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000063927502 541191904 /nfs/dbraw/zinc/19/19/04/541191904.db2.gz OKLCZZUOGOJBFA-OLZOCXBDSA-N -1 1 363.435 2.440 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1 ZINC000064476614 541207790 /nfs/dbraw/zinc/20/77/90/541207790.db2.gz VVVQXKNOENIRCT-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000066043321 541279274 /nfs/dbraw/zinc/27/92/74/541279274.db2.gz CFKWSSMGJGJZDD-ZWKOTPCHSA-N -1 1 353.422 2.351 20 0 FEADMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc([O-])c(Cl)c1 ZINC000065888034 541269081 /nfs/dbraw/zinc/26/90/81/541269081.db2.gz DOHOOQLSALHORK-QGZVFWFLSA-N -1 1 359.813 2.382 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)n[n-]c1=S ZINC000067071582 541413748 /nfs/dbraw/zinc/41/37/48/541413748.db2.gz DRQVZPMDANTHTH-CYBMUJFWSA-N -1 1 365.503 2.319 20 0 FEADMM CCn1c(CCNC(=O)C=Cc2c(C)nn(C)c2Cl)n[n-]c1=S ZINC000067077514 541414389 /nfs/dbraw/zinc/41/43/89/541414389.db2.gz SGGZVZLSMUXNCK-AATRIKPKSA-N -1 1 354.867 2.028 20 0 FEADMM CCn1c(CCNC(=O)C=Cc2cc(OC)cc(OC)c2)n[n-]c1=S ZINC000067077559 541414643 /nfs/dbraw/zinc/41/46/43/541414643.db2.gz QRGCEUSRJZSJIJ-AATRIKPKSA-N -1 1 362.455 2.350 20 0 FEADMM C[C@@]1(C(=O)NCCc2n[n-]c(=S)n2C2CC2)Cc2ccccc2C(=O)O1 ZINC000067078522 541414764 /nfs/dbraw/zinc/41/47/64/541414764.db2.gz QCEZSDCZPOWBIZ-SFHVURJKSA-N -1 1 372.450 2.106 20 0 FEADMM Cc1cccc(C(=O)N[C@H](C)C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067119292 541420395 /nfs/dbraw/zinc/42/03/95/541420395.db2.gz CFLWSFFKMDWPFL-GFCCVEGCSA-N -1 1 373.482 2.061 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCSC)cc2)o1 ZINC000067932862 541529548 /nfs/dbraw/zinc/52/95/48/541529548.db2.gz NDACCAMZVPRNEN-UHFFFAOYSA-N -1 1 354.453 2.346 20 0 FEADMM COC(=O)c1cccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000067985171 541536044 /nfs/dbraw/zinc/53/60/44/541536044.db2.gz ZGOXWFCGUFGMIS-UHFFFAOYSA-N -1 1 362.407 2.405 20 0 FEADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC000068435851 541591328 /nfs/dbraw/zinc/59/13/28/541591328.db2.gz HUPXTXBNXNVGDR-UHFFFAOYSA-N -1 1 361.471 2.240 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc(-n2nccc2C)cc1 ZINC000544056804 541707551 /nfs/dbraw/zinc/70/75/51/541707551.db2.gz DVSKEZPKKAWZET-UHFFFAOYSA-N -1 1 353.382 2.343 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)cc1 ZINC000070877954 541748543 /nfs/dbraw/zinc/74/85/43/541748543.db2.gz UYLXMKGAZXAUNJ-UHFFFAOYSA-N -1 1 365.407 2.303 20 0 FEADMM Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c2cccnc12 ZINC000072849632 541880463 /nfs/dbraw/zinc/88/04/63/541880463.db2.gz RPKJRDSLHAZKGR-UHFFFAOYSA-N -1 1 361.361 2.441 20 0 FEADMM CC(C)OC[C@@H](O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801371179 674124354 /nfs/dbraw/zinc/12/43/54/674124354.db2.gz LCKGLEBWSQFHOM-CYBMUJFWSA-N -1 1 354.790 2.174 20 0 FEADMM CC(C)(C)NC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801373269 674124877 /nfs/dbraw/zinc/12/48/77/674124877.db2.gz FFDHCSMIVLPXAZ-UHFFFAOYSA-N -1 1 351.790 2.303 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)ccc1F ZINC000551112798 674124941 /nfs/dbraw/zinc/12/49/41/674124941.db2.gz MPFKEAOVVKTYIR-UHFFFAOYSA-N -1 1 362.382 2.487 20 0 FEADMM COC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015791114 220164945 /nfs/dbraw/zinc/16/49/45/220164945.db2.gz SKTLUESRIYQDPQ-GFCCVEGCSA-N -1 1 366.414 2.391 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)CCOc1ccccc1 ZINC000073094732 541916867 /nfs/dbraw/zinc/91/68/67/541916867.db2.gz WXCHWVSEWDDEHS-CYBMUJFWSA-N -1 1 368.437 2.361 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1nc(Br)ccc1[O-] ZINC000827147894 675733603 /nfs/dbraw/zinc/73/36/03/675733603.db2.gz AQTOTYBICPSQSZ-XVKPBYJWSA-N -1 1 360.208 2.259 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000073942490 542016821 /nfs/dbraw/zinc/01/68/21/542016821.db2.gz ZQJZYMNDURIZBM-SNVBAGLBSA-N -1 1 350.419 2.414 20 0 FEADMM CCCC(O)(CCC)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000075207798 542159758 /nfs/dbraw/zinc/15/97/58/542159758.db2.gz VLHJZHGJGWIDNG-UHFFFAOYSA-N -1 1 372.469 2.130 20 0 FEADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(OC)cc3[O-])cc21 ZINC000075805666 542203763 /nfs/dbraw/zinc/20/37/63/542203763.db2.gz HBEQVHRLQQNLEP-UHFFFAOYSA-N -1 1 353.378 2.354 20 0 FEADMM Cn1cc(Br)c(C(=O)[N-]OCCCC(F)(F)F)cc1=O ZINC000828335491 675813626 /nfs/dbraw/zinc/81/36/26/675813626.db2.gz ASYMKIJHDILXEY-UHFFFAOYSA-N -1 1 357.126 2.152 20 0 FEADMM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551504863 674147865 /nfs/dbraw/zinc/14/78/65/674147865.db2.gz YLLMZQTUXOYLOJ-UHFFFAOYSA-N -1 1 350.843 2.406 20 0 FEADMM Cc1nc(-c2ccc(NCCCOC[C@@H]3CCOC3)nc2)[n-]c(=O)c1C ZINC000078299516 542452908 /nfs/dbraw/zinc/45/29/08/542452908.db2.gz YONNSOPGBHOPGZ-HNNXBMFYSA-N -1 1 358.442 2.304 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F ZINC000055678470 221073824 /nfs/dbraw/zinc/07/38/24/221073824.db2.gz BLXXWWXHASDMRX-UHFFFAOYSA-N -1 1 352.343 2.460 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000080176566 542572016 /nfs/dbraw/zinc/57/20/16/542572016.db2.gz WYSIPRZDAZMDKF-LBPRGKRZSA-N -1 1 360.487 2.195 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccco1 ZINC000080789755 542608542 /nfs/dbraw/zinc/60/85/42/542608542.db2.gz AQIBQESMFNCGOQ-INIZCTEOSA-N -1 1 361.423 2.190 20 0 FEADMM Cn1c(CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)n[n-]c1=S ZINC000081680966 542672838 /nfs/dbraw/zinc/67/28/38/542672838.db2.gz LGCSNSCBNWDSKF-CQSZACIVSA-N -1 1 363.462 2.288 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)co1 ZINC000093061246 542905867 /nfs/dbraw/zinc/90/58/67/542905867.db2.gz NIGHMYXMPVRWQY-CQSZACIVSA-N -1 1 352.387 2.134 20 0 FEADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093908222 542944788 /nfs/dbraw/zinc/94/47/88/542944788.db2.gz ACNDIZMPVSRGSO-SNVBAGLBSA-N -1 1 352.387 2.012 20 0 FEADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1nnc2n1CCC2 ZINC000094037462 542949013 /nfs/dbraw/zinc/94/90/13/542949013.db2.gz LOHNBFFNZFRGHP-QMMMGPOBSA-N -1 1 351.204 2.183 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)CO)c1 ZINC000097202892 543006911 /nfs/dbraw/zinc/00/69/11/543006911.db2.gz IFRCEXYTEITJSB-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1CCOC1 ZINC000102381015 543067473 /nfs/dbraw/zinc/06/74/73/543067473.db2.gz VBMAXDTVVYNKAP-OAHLLOKOSA-N -1 1 360.435 2.140 20 0 FEADMM Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1nnn[n-]1 ZINC000102895070 543084087 /nfs/dbraw/zinc/08/40/87/543084087.db2.gz VPOLPQOIJHOLRH-UHFFFAOYSA-N -1 1 366.212 2.490 20 0 FEADMM Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1nn[n-]n1 ZINC000102895070 543084089 /nfs/dbraw/zinc/08/40/89/543084089.db2.gz VPOLPQOIJHOLRH-UHFFFAOYSA-N -1 1 366.212 2.490 20 0 FEADMM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000103159187 543095842 /nfs/dbraw/zinc/09/58/42/543095842.db2.gz VYNADHIHPDGUPZ-SSDOTTSWSA-N -1 1 358.204 2.431 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1cccc(Cl)c1 ZINC000103939837 543118580 /nfs/dbraw/zinc/11/85/80/543118580.db2.gz ZFFMKYSRLPBZCP-UHFFFAOYSA-N -1 1 358.829 2.194 20 0 FEADMM Cc1cccc(OC[C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000104862056 543148508 /nfs/dbraw/zinc/14/85/08/543148508.db2.gz VUIZWIXSBDOABS-ZDUSSCGKSA-N -1 1 368.437 2.074 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)ccc1F ZINC000105591589 543177427 /nfs/dbraw/zinc/17/74/27/543177427.db2.gz LRCSWMUWZNQOJW-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)cc12 ZINC000106006792 543184431 /nfs/dbraw/zinc/18/44/31/543184431.db2.gz KZZGGBIELPNZFC-SNVBAGLBSA-N -1 1 358.423 2.401 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)o1 ZINC000107699467 543276270 /nfs/dbraw/zinc/27/62/70/543276270.db2.gz BKGDQOAJCSZNDE-UHFFFAOYSA-N -1 1 353.371 2.215 20 0 FEADMM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccco1 ZINC000107700070 543276357 /nfs/dbraw/zinc/27/63/57/543276357.db2.gz WNXXVVYADQAGAF-LBPRGKRZSA-N -1 1 370.427 2.021 20 0 FEADMM C[C@H](C(=O)N1CCCCC1)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592950 543296811 /nfs/dbraw/zinc/29/68/11/543296811.db2.gz GZQCBSVFGCTMEU-CYBMUJFWSA-N -1 1 368.503 2.102 20 0 FEADMM COc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)cn1 ZINC000109588966 543327970 /nfs/dbraw/zinc/32/79/70/543327970.db2.gz KQEFERSMRJUPJR-VIFPVBQESA-N -1 1 366.424 2.241 20 0 FEADMM O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cncc([O-])c1 ZINC000109945568 543344289 /nfs/dbraw/zinc/34/42/89/543344289.db2.gz ZLFNZTHOJBRSOO-QGZVFWFLSA-N -1 1 361.829 2.244 20 0 FEADMM CC1CCC(N(C(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)C2CC2)CC1 ZINC000113634967 543494132 /nfs/dbraw/zinc/49/41/32/543494132.db2.gz BFDBUVPUFOZFAQ-UHFFFAOYSA-N -1 1 366.487 2.026 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(I)c[nH]1 ZINC000115342550 543560739 /nfs/dbraw/zinc/56/07/39/543560739.db2.gz QSLUVVKODDOHOM-UHFFFAOYSA-N -1 1 371.060 2.009 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000115584241 543575831 /nfs/dbraw/zinc/57/58/31/543575831.db2.gz XZTFYDCAYIOUKA-ZDUSSCGKSA-N -1 1 371.846 2.379 20 0 FEADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000116019375 543596020 /nfs/dbraw/zinc/59/60/20/543596020.db2.gz ZGLJJKWFCXNIQW-UHFFFAOYSA-N -1 1 370.377 2.410 20 0 FEADMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000122582555 543711947 /nfs/dbraw/zinc/71/19/47/543711947.db2.gz YRHNGSCHNZLIBT-LLVKDONJSA-N -1 1 372.231 2.413 20 0 FEADMM Cc1ccc(Cc2nc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)cs2)cc1 ZINC000124350483 543815659 /nfs/dbraw/zinc/81/56/59/543815659.db2.gz DFILNVROQPYZJF-LBPRGKRZSA-N -1 1 356.455 2.431 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nn[n-]n1 ZINC000124046916 543798311 /nfs/dbraw/zinc/79/83/11/543798311.db2.gz VKKIYSHSZCVNRB-JTQLQIEISA-N -1 1 353.386 2.003 20 0 FEADMM O=c1nc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[nH][n-]1 ZINC000124090227 543800058 /nfs/dbraw/zinc/80/00/58/543800058.db2.gz JMQRWNWBIYQGPC-OAHLLOKOSA-N -1 1 352.373 2.118 20 0 FEADMM C[C@@H](CN(C)C(=O)c1c2c(sc1-n1cccc1)CCC2)c1nn[n-]n1 ZINC000124593381 543831115 /nfs/dbraw/zinc/83/11/15/543831115.db2.gz MKZFXMATGVVYJO-NSHDSACASA-N -1 1 356.455 2.416 20 0 FEADMM C[C@H](CN(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nn[n-]n1 ZINC000124556989 543829255 /nfs/dbraw/zinc/82/92/55/543829255.db2.gz BCOKRVGLKIWYBW-SNVBAGLBSA-N -1 1 360.418 2.262 20 0 FEADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000125231721 543868591 /nfs/dbraw/zinc/86/85/91/543868591.db2.gz PGRARGHOIZNNPL-NSHDSACASA-N -1 1 351.371 2.486 20 0 FEADMM CCC[C@@H](NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1)c1ccccc1 ZINC000127143187 543975479 /nfs/dbraw/zinc/97/54/79/543975479.db2.gz BNOURFNGCDGJGM-CQSZACIVSA-N -1 1 362.455 2.113 20 0 FEADMM CCCN(CCO)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000128936632 544081610 /nfs/dbraw/zinc/08/16/10/544081610.db2.gz IIBCCEICNVMHAF-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129285791 544102999 /nfs/dbraw/zinc/10/29/99/544102999.db2.gz KEPANOCAYMSCHI-VIFPVBQESA-N -1 1 356.213 2.292 20 0 FEADMM CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129297534 544103585 /nfs/dbraw/zinc/10/35/85/544103585.db2.gz SHFGDJAKGCYWDG-GFCCVEGCSA-N -1 1 356.430 2.204 20 0 FEADMM O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129410852 544110873 /nfs/dbraw/zinc/11/08/73/544110873.db2.gz YRQBFIFTHXUFAP-SNVBAGLBSA-N -1 1 368.210 2.050 20 0 FEADMM CCc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1-c1ccc(C)cc1 ZINC000129528373 544116879 /nfs/dbraw/zinc/11/68/79/544116879.db2.gz YMNUPYFOMHFSAA-AWEZNQCLSA-N -1 1 365.441 2.276 20 0 FEADMM O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129453913 544113300 /nfs/dbraw/zinc/11/33/00/544113300.db2.gz PHJUWAJPFWPQPZ-LLVKDONJSA-N -1 1 357.805 2.263 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(F)c(F)c(F)c3)cc2N1 ZINC000130448512 544151574 /nfs/dbraw/zinc/15/15/74/544151574.db2.gz CYXMPVBJOYTHLT-UHFFFAOYSA-N -1 1 358.297 2.236 20 0 FEADMM Cc1ccc(C(=O)NCCC(=O)NCc2nc3cccc(C)c3[nH]2)c(O)c1 ZINC000130715162 544161890 /nfs/dbraw/zinc/16/18/90/544161890.db2.gz TXEKITBNOOOOHB-UHFFFAOYSA-N -1 1 366.421 2.322 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C)c1ccc(OC)cc1 ZINC000552210215 674195251 /nfs/dbraw/zinc/19/52/51/674195251.db2.gz RPVSPOFQVIISDQ-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1cc(Cl)sc1Cl ZINC000097013442 222151007 /nfs/dbraw/zinc/15/10/07/222151007.db2.gz KFOWZQQGBJAAGQ-ZCFIWIBFSA-N -1 1 353.256 2.460 20 0 FEADMM O=S(=O)(Cc1ccn(-c2c(F)cccc2F)n1)c1n[n-]c(C2CC2)n1 ZINC000133096983 544256004 /nfs/dbraw/zinc/25/60/04/544256004.db2.gz WOYCGHUFOHLJET-UHFFFAOYSA-N -1 1 365.365 2.120 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000135391612 544345072 /nfs/dbraw/zinc/34/50/72/544345072.db2.gz PXZMXONPXLMDQU-UHFFFAOYSA-N -1 1 373.434 2.271 20 0 FEADMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2NC1=O ZINC000137472214 544390749 /nfs/dbraw/zinc/39/07/49/544390749.db2.gz YVMPSXSRVLSDBV-QMMMGPOBSA-N -1 1 354.334 2.485 20 0 FEADMM CCOc1c(OC)cc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1OC ZINC000146567117 544440653 /nfs/dbraw/zinc/44/06/53/544440653.db2.gz OJGPRPGQEKIIBP-UHFFFAOYSA-N -1 1 370.427 2.186 20 0 FEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000150784676 544470486 /nfs/dbraw/zinc/47/04/86/544470486.db2.gz LALUDDJRVKJQLG-LLVKDONJSA-N -1 1 369.389 2.192 20 0 FEADMM CCCC(O)(CCC)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000153050726 544726958 /nfs/dbraw/zinc/72/69/58/544726958.db2.gz ZVAJDHPWIWBLCH-UHFFFAOYSA-N -1 1 372.469 2.130 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2Cl)n[n-]1 ZINC000153108424 544733460 /nfs/dbraw/zinc/73/34/60/544733460.db2.gz JOWNIERFEZDVBZ-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000154322322 544891258 /nfs/dbraw/zinc/89/12/58/544891258.db2.gz KGKFUMZCCKWBOB-NEPJUHHUSA-N -1 1 353.216 2.038 20 0 FEADMM Cn1[n-]c(COC(=O)c2cccc3cccc(Br)c32)nc1=O ZINC000803948895 674268890 /nfs/dbraw/zinc/26/88/90/674268890.db2.gz UEQUROAJIVLUDC-UHFFFAOYSA-N -1 1 362.183 2.381 20 0 FEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000180193464 327675506 /nfs/dbraw/zinc/67/55/06/327675506.db2.gz QWYCSXWWEGUTMB-UHFFFAOYSA-N -1 1 360.844 2.080 20 0 FEADMM COC(=O)C[C@@H](C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180646821 327695378 /nfs/dbraw/zinc/69/53/78/327695378.db2.gz ZBVGOQKQYWHMBK-LLVKDONJSA-N -1 1 374.359 2.120 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1 ZINC000181161729 327718649 /nfs/dbraw/zinc/71/86/49/327718649.db2.gz DIHZUUPJDOKXBE-UHFFFAOYSA-N -1 1 356.407 2.486 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000182363587 327772277 /nfs/dbraw/zinc/77/22/77/327772277.db2.gz UWZSJPYFFHDIEH-OAHLLOKOSA-N -1 1 362.451 2.297 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC[C@H]1O ZINC000186720473 327978352 /nfs/dbraw/zinc/97/83/52/327978352.db2.gz ZUTIIYZMAKSFQR-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc(F)ccc3[O-])c2)CC1 ZINC000187146238 328004932 /nfs/dbraw/zinc/00/49/32/328004932.db2.gz QEPXGCINAPPMBX-UHFFFAOYSA-N -1 1 371.412 2.448 20 0 FEADMM O=C([N-]CCCN1CCO[C@H](c2ccc(F)cc2F)C1)C(F)(F)F ZINC000187248507 328011005 /nfs/dbraw/zinc/01/10/05/328011005.db2.gz AHQJDNONPBBQKB-ZDUSSCGKSA-N -1 1 352.303 2.407 20 0 FEADMM Cc1ccc(CCC(=O)N(C)C[C@H](C)c2nn[n-]n2)c(Br)c1 ZINC000187340105 328018231 /nfs/dbraw/zinc/01/82/31/328018231.db2.gz MUCOZZUZLTWHQP-NSHDSACASA-N -1 1 366.263 2.465 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCc1ccccc1OC(F)F)c2=O ZINC000188037450 328062167 /nfs/dbraw/zinc/06/21/67/328062167.db2.gz DFAWJPUIMVFLCY-UHFFFAOYSA-N -1 1 362.336 2.248 20 0 FEADMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1(C)C ZINC000188472263 328089058 /nfs/dbraw/zinc/08/90/58/328089058.db2.gz LYGQDEPUHQJQLQ-SWLSCSKDSA-N -1 1 365.854 2.324 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(F)cc1Br)c1nn[n-]n1 ZINC000188965497 328120440 /nfs/dbraw/zinc/12/04/40/328120440.db2.gz VSPSVKNXOCMQKN-LLVKDONJSA-N -1 1 356.199 2.301 20 0 FEADMM CC[C@@]1(C)CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCO1 ZINC000189325484 328140942 /nfs/dbraw/zinc/14/09/42/328140942.db2.gz CQGVKDLKBNPSES-FQEVSTJZSA-N -1 1 370.453 2.100 20 0 FEADMM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000190130181 328190134 /nfs/dbraw/zinc/19/01/34/328190134.db2.gz FOOXXEPQEKTVOS-SECBINFHSA-N -1 1 371.684 2.183 20 0 FEADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2Br)CC1)c1nn[n-]n1 ZINC000191022036 328246082 /nfs/dbraw/zinc/24/60/82/328246082.db2.gz STOQMPUKCKJLRQ-JTQLQIEISA-N -1 1 364.247 2.256 20 0 FEADMM Cc1cccc(C[C@H](CO)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000191186286 328253027 /nfs/dbraw/zinc/25/30/27/328253027.db2.gz VXWQUNGZNHMLRS-OAHLLOKOSA-N -1 1 357.454 2.018 20 0 FEADMM CCOC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000191430062 328265372 /nfs/dbraw/zinc/26/53/72/328265372.db2.gz FCRRFJPNZSRKJH-KRWDZBQOSA-N -1 1 372.469 2.250 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)no1 ZINC000192215155 328306956 /nfs/dbraw/zinc/30/69/56/328306956.db2.gz YCJYIBQPZINNJJ-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC)c2nn[n-]n2)cc1 ZINC000192433146 328318785 /nfs/dbraw/zinc/31/87/85/328318785.db2.gz FPYXKRQDUZBBQX-AWEZNQCLSA-N -1 1 365.459 2.045 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000192658477 328331262 /nfs/dbraw/zinc/33/12/62/328331262.db2.gz RPRVCNXXIMHLLQ-JTQLQIEISA-N -1 1 353.304 2.067 20 0 FEADMM CCC[C@H](NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)c1nn[n-]n1 ZINC000193471920 328377515 /nfs/dbraw/zinc/37/75/15/328377515.db2.gz CSLGJZBOCSONME-LBPRGKRZSA-N -1 1 374.836 2.322 20 0 FEADMM O=C(NC[C@@H]1CCCOC1)c1cc(I)ccc1[O-] ZINC000193653415 328387733 /nfs/dbraw/zinc/38/77/33/328387733.db2.gz GQXMQAVUXVWXKG-VIFPVBQESA-N -1 1 361.179 2.153 20 0 FEADMM O=C(NC[C@H]1CCCOC1)c1cc(I)ccc1[O-] ZINC000193653427 328387823 /nfs/dbraw/zinc/38/78/23/328387823.db2.gz GQXMQAVUXVWXKG-SECBINFHSA-N -1 1 361.179 2.153 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000007360771 324356125 /nfs/dbraw/zinc/35/61/25/324356125.db2.gz ZPBRONUDFCNWHI-UHFFFAOYSA-N -1 1 362.407 2.161 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000013358452 324375123 /nfs/dbraw/zinc/37/51/23/324375123.db2.gz NKYYEXXTVGCCQP-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM O=C1CCCN1CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000021871025 324396641 /nfs/dbraw/zinc/39/66/41/324396641.db2.gz DPLWCBFGIBIOBA-UHFFFAOYSA-N -1 1 357.284 2.346 20 0 FEADMM O=C(NCCc1nccs1)c1cc(I)ccc1[O-] ZINC000195304255 328470087 /nfs/dbraw/zinc/47/00/87/328470087.db2.gz PYNYSXCUHFUJIB-UHFFFAOYSA-N -1 1 374.203 2.426 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000024222664 324408919 /nfs/dbraw/zinc/40/89/19/324408919.db2.gz PKLQZICVNYYYTK-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc3ccccc3c2)o1 ZINC000027677219 324434586 /nfs/dbraw/zinc/43/45/86/324434586.db2.gz QFSVBPXTNWDLHI-UHFFFAOYSA-N -1 1 358.419 2.313 20 0 FEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)[C@H]1CCOC1 ZINC000230897136 328487514 /nfs/dbraw/zinc/48/75/14/328487514.db2.gz YQLUTPLDWQZLRB-SCZZXKLOSA-N -1 1 361.179 2.152 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cn1 ZINC000055588354 324781496 /nfs/dbraw/zinc/78/14/96/324781496.db2.gz LNWOVVGXNUCIJC-UHFFFAOYSA-N -1 1 354.819 2.001 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000077992061 325027541 /nfs/dbraw/zinc/02/75/41/325027541.db2.gz QXCOXAKMPCUZKM-LLVKDONJSA-N -1 1 354.122 2.294 20 0 FEADMM COCc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=S)n3C3CC3)C2)no1 ZINC000080208878 325122996 /nfs/dbraw/zinc/12/29/96/325122996.db2.gz JLKLMXANNLAXBV-JTQLQIEISA-N -1 1 363.443 2.430 20 0 FEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000091020990 325370296 /nfs/dbraw/zinc/37/02/96/325370296.db2.gz QTXGFNNJYGJJNV-UHFFFAOYSA-N -1 1 350.418 2.060 20 0 FEADMM O=C(Nc1ccc(C(=O)NCCCO)c([O-])c1)c1cc(F)cc(F)c1 ZINC000097374719 325461440 /nfs/dbraw/zinc/46/14/40/325461440.db2.gz ISVDWGKMZFWTDB-UHFFFAOYSA-N -1 1 350.321 2.035 20 0 FEADMM Cn1ccnc1CN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000106290035 325593531 /nfs/dbraw/zinc/59/35/31/325593531.db2.gz YDXTWABDUTXSRK-UHFFFAOYSA-N -1 1 350.422 2.237 20 0 FEADMM O=C(NC[C@@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110225929 325685266 /nfs/dbraw/zinc/68/52/66/325685266.db2.gz JGJUCJLQNBOJIK-KBXCAEBGSA-N -1 1 368.433 2.303 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)Nc1ccccc1 ZINC000113303029 325840603 /nfs/dbraw/zinc/84/06/03/325840603.db2.gz FCDZIWUVPAXMEN-UHFFFAOYSA-N -1 1 358.341 2.411 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ncc[nH]3)cc2)cc1 ZINC000114123456 325873027 /nfs/dbraw/zinc/87/30/27/325873027.db2.gz XMCDPFXNQKJWQO-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COc1ccc(C(C)C)cc1 ZINC000114155220 325875149 /nfs/dbraw/zinc/87/51/49/325875149.db2.gz SBUDCGNYEBMMQB-UHFFFAOYSA-N -1 1 368.437 2.458 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)o1 ZINC000115583306 325967952 /nfs/dbraw/zinc/96/79/52/325967952.db2.gz WLGDJYXAZOGUDR-CQSZACIVSA-N -1 1 352.412 2.445 20 0 FEADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)nc2)CC1 ZINC000116601469 326026978 /nfs/dbraw/zinc/02/69/78/326026978.db2.gz MIANIXVMNRNBDC-UHFFFAOYSA-N -1 1 366.874 2.288 20 0 FEADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)nc2)CC1 ZINC000116601437 326027089 /nfs/dbraw/zinc/02/70/89/326027089.db2.gz BUKPYPXNADIHRL-UHFFFAOYSA-N -1 1 366.874 2.288 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)c(C)c1C ZINC000117229373 326053238 /nfs/dbraw/zinc/05/32/38/326053238.db2.gz PGWIVYBQKQSHLG-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000118377400 326089763 /nfs/dbraw/zinc/08/97/63/326089763.db2.gz KHLFQBGYXQJIPT-KBPBESRZSA-N -1 1 372.494 2.425 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CCO1 ZINC000119285760 326145916 /nfs/dbraw/zinc/14/59/16/326145916.db2.gz DFMYPJBDIFSVIU-MRXNPFEDSA-N -1 1 352.394 2.196 20 0 FEADMM Cc1occc1C(=O)NC1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000119385506 326156929 /nfs/dbraw/zinc/15/69/29/326156929.db2.gz NEOFSZGXECYDEM-UHFFFAOYSA-N -1 1 371.437 2.030 20 0 FEADMM C[C@H](NC(=O)c1cc(I)ccc1[O-])[C@H]1CCOC1 ZINC000119935680 326213734 /nfs/dbraw/zinc/21/37/34/326213734.db2.gz YEHHNVYKJXUMOB-IUCAKERBSA-N -1 1 361.179 2.152 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)NCC(=O)Nc3ccc(F)cc3)c2=O)[nH+]1 ZINC000120206329 326240710 /nfs/dbraw/zinc/24/07/10/326240710.db2.gz PMCHTXPJWSCMTI-UHFFFAOYSA-N -1 1 354.341 2.151 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCC(=O)Nc3ccc(F)cc3)cnc2n1 ZINC000120206329 326240713 /nfs/dbraw/zinc/24/07/13/326240713.db2.gz PMCHTXPJWSCMTI-UHFFFAOYSA-N -1 1 354.341 2.151 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000120837559 326291949 /nfs/dbraw/zinc/29/19/49/326291949.db2.gz VSMVMRMVYQGPQF-LSDHHAIUSA-N -1 1 362.451 2.329 20 0 FEADMM O=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000121163659 326318010 /nfs/dbraw/zinc/31/80/10/326318010.db2.gz QRXVIIRKVDVARW-UHFFFAOYSA-N -1 1 366.464 2.419 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2cccc3ccccc32)co1 ZINC000121273320 326326298 /nfs/dbraw/zinc/32/62/98/326326298.db2.gz UKJOMIAMMGNGAW-UHFFFAOYSA-N -1 1 374.418 2.150 20 0 FEADMM CC(C)(C)C(=O)NCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000121489701 326342559 /nfs/dbraw/zinc/34/25/59/326342559.db2.gz NJQTZNUCRJVZCD-UHFFFAOYSA-N -1 1 358.236 2.431 20 0 FEADMM O=C(C[N-]S(=O)(=O)Cc1c(F)cccc1F)Nc1cccc(F)c1 ZINC000122856449 326411858 /nfs/dbraw/zinc/41/18/58/326411858.db2.gz FNGUPQZUWFEXGB-UHFFFAOYSA-N -1 1 358.341 2.162 20 0 FEADMM C[C@@H](CCO)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123254322 326425450 /nfs/dbraw/zinc/42/54/50/326425450.db2.gz KRSWCFMIICPSHE-KSSFIOAISA-N -1 1 370.449 2.285 20 0 FEADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000124312402 326451592 /nfs/dbraw/zinc/45/15/92/326451592.db2.gz YMJZVBLTUQWJMN-NSHDSACASA-N -1 1 355.232 2.095 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)c1noc(-c2ccccc2)n1 ZINC000128263854 326520760 /nfs/dbraw/zinc/52/07/60/326520760.db2.gz QFCIQNVALGAFHU-VIFPVBQESA-N -1 1 367.818 2.163 20 0 FEADMM CC[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000128442490 326523892 /nfs/dbraw/zinc/52/38/92/326523892.db2.gz UQZGYKUGHKJEQB-ZDUSSCGKSA-N -1 1 352.387 2.311 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NCc1ccco1 ZINC000131367452 326573562 /nfs/dbraw/zinc/57/35/62/326573562.db2.gz XWXWFWWQQWCHGH-VIFPVBQESA-N -1 1 360.794 2.055 20 0 FEADMM O=c1c([N-]S(=O)(=O)c2cccc(F)c2F)cccn1CC(F)(F)F ZINC000132826923 326598547 /nfs/dbraw/zinc/59/85/47/326598547.db2.gz PXJFPAXPHCUQNG-UHFFFAOYSA-N -1 1 368.283 2.490 20 0 FEADMM COCc1nc2n(n1)C[C@H](NC(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000138330490 326662550 /nfs/dbraw/zinc/66/25/50/326662550.db2.gz SSPJTRVWDRCQGO-CYBMUJFWSA-N -1 1 352.394 2.028 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1nnc2ccccn21 ZINC000154485120 326761269 /nfs/dbraw/zinc/76/12/69/326761269.db2.gz XPLZYLOMDGRBNB-QMMMGPOBSA-N -1 1 356.329 2.186 20 0 FEADMM O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000154825388 326769983 /nfs/dbraw/zinc/76/99/83/326769983.db2.gz WQNFQQRBADLDNJ-UHFFFAOYSA-N -1 1 368.368 2.006 20 0 FEADMM NC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc21 ZINC000156385938 326829347 /nfs/dbraw/zinc/82/93/47/326829347.db2.gz BOAXIPDBAAQOSJ-UHFFFAOYSA-N -1 1 353.350 2.207 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)CC(=O)c2ccco2)c(=O)[n-]1 ZINC000157875905 326878095 /nfs/dbraw/zinc/87/80/95/326878095.db2.gz APWQJTOURYSJSO-JTQLQIEISA-N -1 1 363.439 2.104 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CCS(C)(=O)=O)cc1 ZINC000161954134 327013430 /nfs/dbraw/zinc/01/34/30/327013430.db2.gz SKTKBPSINHKJBW-UHFFFAOYSA-N -1 1 353.465 2.383 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000164503115 327070883 /nfs/dbraw/zinc/07/08/83/327070883.db2.gz QIYFMNLDYLHZNX-SMDDNHRTSA-N -1 1 372.343 2.487 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)cc1F ZINC000170848949 327102412 /nfs/dbraw/zinc/10/24/12/327102412.db2.gz LOHQNYXKKAPMRZ-UHFFFAOYSA-N -1 1 352.343 2.080 20 0 FEADMM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000171080448 327116411 /nfs/dbraw/zinc/11/64/11/327116411.db2.gz XVOUHVVAQMSKTL-UHFFFAOYSA-N -1 1 368.405 2.292 20 0 FEADMM CN(CCc1ccccn1)C(=O)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000171301739 327130704 /nfs/dbraw/zinc/13/07/04/327130704.db2.gz INBGIMGMFKPPQB-UHFFFAOYSA-N -1 1 363.417 2.371 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)N3CCN(C4CCCC4)CC3)cc2=O)cc1 ZINC000174565021 327335214 /nfs/dbraw/zinc/33/52/14/327335214.db2.gz MTUGKQXAMFDEOR-UHFFFAOYSA-N -1 1 354.454 2.174 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(Br)c1 ZINC000175077119 327372605 /nfs/dbraw/zinc/37/26/05/327372605.db2.gz CZYGAEWMYCWEML-UHFFFAOYSA-N -1 1 368.256 2.493 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCCNc1ccccn1 ZINC000175128827 327375585 /nfs/dbraw/zinc/37/55/85/327375585.db2.gz XNMDBWZCCICFAF-UHFFFAOYSA-N -1 1 357.458 2.393 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000175316566 327386751 /nfs/dbraw/zinc/38/67/51/327386751.db2.gz HJUNRGRZCOXTRH-QGZVFWFLSA-N -1 1 367.453 2.133 20 0 FEADMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926784 327421863 /nfs/dbraw/zinc/42/18/63/327421863.db2.gz ZGCHAINUEPHINJ-KRWDZBQOSA-N -1 1 361.348 2.007 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)CC2 ZINC000178143852 327568025 /nfs/dbraw/zinc/56/80/25/327568025.db2.gz XPYHOYQUIHLECW-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H]3O)c2)cc1 ZINC000178582119 327593409 /nfs/dbraw/zinc/59/34/09/327593409.db2.gz IHUJZGLSYOGKIN-QZTJIDSGSA-N -1 1 374.462 2.439 20 0 FEADMM CC(C)(C)[C@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2nc[nH]n2)no1 ZINC000178837569 327610427 /nfs/dbraw/zinc/61/04/27/327610427.db2.gz ZHWUSICMESXOQX-LLVKDONJSA-N -1 1 368.463 2.052 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000264318184 329009593 /nfs/dbraw/zinc/00/95/93/329009593.db2.gz PWFASMWPKYBOPN-LLVKDONJSA-N -1 1 367.448 2.214 20 0 FEADMM CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(Br)cc1[O-] ZINC000265071926 329087910 /nfs/dbraw/zinc/08/79/10/329087910.db2.gz ODCSFMQVAKYMHQ-UHFFFAOYSA-N -1 1 364.261 2.098 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000265126872 329094052 /nfs/dbraw/zinc/09/40/52/329094052.db2.gz FRLLHUBFLHNFBU-ZJUUUORDSA-N -1 1 364.389 2.029 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc21 ZINC000265229850 329104950 /nfs/dbraw/zinc/10/49/50/329104950.db2.gz HIZWHRDEGVGGPD-UHFFFAOYSA-N -1 1 374.418 2.168 20 0 FEADMM Cc1csc(C2(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)CCC2)n1 ZINC000265256675 329107750 /nfs/dbraw/zinc/10/77/50/329107750.db2.gz DCJXQQJJVMBMNR-UHFFFAOYSA-N -1 1 371.466 2.142 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265914262 329172353 /nfs/dbraw/zinc/17/23/53/329172353.db2.gz BEHUWPYNWZKGGM-XYPHTWIQSA-N -1 1 368.437 2.025 20 0 FEADMM CO[C@H](CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)C ZINC000266718560 329252739 /nfs/dbraw/zinc/25/27/39/329252739.db2.gz UGDIJJOXDQRQIA-OAHLLOKOSA-N -1 1 358.442 2.272 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000266990988 329280613 /nfs/dbraw/zinc/28/06/13/329280613.db2.gz CEGUKDXSTZLQNU-UHFFFAOYSA-N -1 1 361.423 2.304 20 0 FEADMM CCc1cccc(NC(=O)CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000267070397 329288702 /nfs/dbraw/zinc/28/87/02/329288702.db2.gz YYTKENLGSMZXED-UHFFFAOYSA-N -1 1 360.439 2.143 20 0 FEADMM CCCCCN(CCO)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000267230500 329304814 /nfs/dbraw/zinc/30/48/14/329304814.db2.gz WIXPVZAMNXLOMJ-UHFFFAOYSA-N -1 1 373.475 2.083 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COC)c2)c1 ZINC000268348974 329410904 /nfs/dbraw/zinc/41/09/04/329410904.db2.gz JVCGPYBXXKSSRF-UHFFFAOYSA-N -1 1 369.464 2.427 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](O)C3CC3)cc2)cc1 ZINC000268384382 329413938 /nfs/dbraw/zinc/41/39/38/329413938.db2.gz JTSXDCDYHCWABW-SFHVURJKSA-N -1 1 374.462 2.297 20 0 FEADMM CCN(CC)S(=O)(=O)[N-]c1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000268965568 329473082 /nfs/dbraw/zinc/47/30/82/329473082.db2.gz MLQADWPJKQDLHW-UHFFFAOYSA-N -1 1 363.365 2.285 20 0 FEADMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]C[C@H](O)C(F)(F)F ZINC000269745820 329545340 /nfs/dbraw/zinc/54/53/40/329545340.db2.gz WQOTYTPLIAXSLR-VIFPVBQESA-N -1 1 352.161 2.336 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000269756172 329546285 /nfs/dbraw/zinc/54/62/85/329546285.db2.gz AZZWANKGVZHYOW-UHFFFAOYSA-N -1 1 373.381 2.078 20 0 FEADMM CCOCCC1(C[N-]S(=O)(=O)c2cc(C(=O)OC)co2)CCCC1 ZINC000269997823 329566965 /nfs/dbraw/zinc/56/69/65/329566965.db2.gz IKYQRBBSFVRHOF-UHFFFAOYSA-N -1 1 359.444 2.332 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCSC1 ZINC000270106596 329575271 /nfs/dbraw/zinc/57/52/71/329575271.db2.gz FFRNMXDOUCGOKM-CQSZACIVSA-N -1 1 358.467 2.449 20 0 FEADMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCSC1 ZINC000270239510 329584543 /nfs/dbraw/zinc/58/45/43/329584543.db2.gz KTWMYUJFPBHAPR-LBPRGKRZSA-N -1 1 370.279 2.320 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NCCc2ccon2)c1)OCC(F)(F)F ZINC000271335784 329685309 /nfs/dbraw/zinc/68/53/09/329685309.db2.gz FULVPCQLRPBCHT-UHFFFAOYSA-N -1 1 373.287 2.464 20 0 FEADMM O=S(=O)([N-]C[C@H]1COC2(CCCC2)O1)c1c(Cl)ccnc1Cl ZINC000272097448 329751919 /nfs/dbraw/zinc/75/19/19/329751919.db2.gz FVVIRDSWMPPXQJ-VIFPVBQESA-N -1 1 367.254 2.352 20 0 FEADMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)o1 ZINC000272244610 329763199 /nfs/dbraw/zinc/76/31/99/329763199.db2.gz RQFMHBPIARHCNM-SECBINFHSA-N -1 1 351.211 2.302 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cn1C ZINC000273572923 329875655 /nfs/dbraw/zinc/87/56/55/329875655.db2.gz DMKTWNHGGQMEDH-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM CCOc1cc(C(=O)NCC2(C(=O)OC)CCOCC2)cc(Cl)c1[O-] ZINC000273856631 329897656 /nfs/dbraw/zinc/89/76/56/329897656.db2.gz MYPMKKDTUZSKFV-UHFFFAOYSA-N -1 1 371.817 2.144 20 0 FEADMM CCOc1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc(Cl)c1[O-] ZINC000273967970 329906023 /nfs/dbraw/zinc/90/60/23/329906023.db2.gz QOFZOEDQQHHUQN-UHFFFAOYSA-N -1 1 354.834 2.385 20 0 FEADMM COc1ccc2c(c1)nc(CNC(=O)c1c(C)[n-]c(=O)nc1SC)n2C ZINC000274616656 329965247 /nfs/dbraw/zinc/96/52/47/329965247.db2.gz OWXWKVGESMPSNH-UHFFFAOYSA-N -1 1 373.438 2.038 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)c2cnc(Cl)c(C)c2)s1 ZINC000275559488 330063558 /nfs/dbraw/zinc/06/35/58/330063558.db2.gz DRCMLQNKTIBVAG-UHFFFAOYSA-N -1 1 350.878 2.095 20 0 FEADMM CC(C)[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Cl)cc1 ZINC000804709217 674298207 /nfs/dbraw/zinc/29/82/07/674298207.db2.gz YCNBETIFXYMNGK-OAHLLOKOSA-N -1 1 363.845 2.136 20 0 FEADMM C[C@H]1CCN(C(=O)OC[C@H]2CCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805126250 674320934 /nfs/dbraw/zinc/32/09/34/674320934.db2.gz ODZBZOIAPNYBJE-YFKTTZPYSA-N -1 1 352.353 2.079 20 0 FEADMM COC[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)C ZINC000805151249 674323524 /nfs/dbraw/zinc/32/35/24/674323524.db2.gz OYIWLFKGZDNDBS-RVMXOQNASA-N -1 1 367.412 2.144 20 0 FEADMM C[C@H]1CCN(C(=O)NCCOC2CCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805160601 674323674 /nfs/dbraw/zinc/32/36/74/674323674.db2.gz ANIOBDPJLYBWEX-GVXVVHGQSA-N -1 1 365.396 2.043 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cc1Cl ZINC000554687474 674330287 /nfs/dbraw/zinc/33/02/87/674330287.db2.gz VIQVUKUOAMOLQM-UHFFFAOYSA-N -1 1 352.799 2.393 20 0 FEADMM Cn1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(-c2cccs2)n1 ZINC000554854810 674338785 /nfs/dbraw/zinc/33/87/85/674338785.db2.gz ZCCDIWQKZULRID-UHFFFAOYSA-N -1 1 359.411 2.257 20 0 FEADMM COc1ccc(C2([N-]S(=O)(=O)c3c(C)onc3N)CCCC2)cc1 ZINC000554904588 674340821 /nfs/dbraw/zinc/34/08/21/674340821.db2.gz GLNRRPXKDHOATP-UHFFFAOYSA-N -1 1 351.428 2.322 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)c(C(F)(F)F)n1 ZINC000555333942 674357186 /nfs/dbraw/zinc/35/71/86/674357186.db2.gz FVZDMEJPGRKXKE-UHFFFAOYSA-N -1 1 359.373 2.275 20 0 FEADMM O=c1nc(N[C@@H]2C[C@H]2c2ccc(Br)s2)nc2[nH][n-]cc1-2 ZINC000555402901 674359068 /nfs/dbraw/zinc/35/90/68/674359068.db2.gz WIHVWGLNCDUIPX-IYSWYEEDSA-N -1 1 352.217 2.224 20 0 FEADMM O=S(=O)([N-]CC[C@H]1COc2ccccc2O1)c1cccc(F)c1F ZINC000555398689 674359120 /nfs/dbraw/zinc/35/91/20/674359120.db2.gz BESVGLVCXPWPFV-NSHDSACASA-N -1 1 355.362 2.473 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)[C@@]1(CO)CCCO1)c1c(F)cccc1Cl ZINC000555456323 674362466 /nfs/dbraw/zinc/36/24/66/674362466.db2.gz OYWQYUGKVWWRMZ-GJZGRUSLSA-N -1 1 363.838 2.078 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@@]1(CO)CCCO1)c1cc2ccccc2o1 ZINC000555457069 674362721 /nfs/dbraw/zinc/36/27/21/674362721.db2.gz NUKZHOFVKRVIJL-SJORKVTESA-N -1 1 351.424 2.031 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@]12CCOC2 ZINC000311575753 553754925 /nfs/dbraw/zinc/75/49/25/553754925.db2.gz VSODYFVGWXOICH-AWEZNQCLSA-N -1 1 373.190 2.392 20 0 FEADMM C[C@@H](SCC(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1nc2ccccc2[nH]1 ZINC000155533124 545538900 /nfs/dbraw/zinc/53/89/00/545538900.db2.gz HCLKWGIMLZJNAQ-NEPJUHHUSA-N -1 1 371.470 2.276 20 0 FEADMM C[C@H](CCCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000155880494 545579517 /nfs/dbraw/zinc/57/95/17/545579517.db2.gz XIOWTIWSUBENIA-CQSZACIVSA-N -1 1 362.451 2.378 20 0 FEADMM O=C(N=c1ccc([O-])n[nH]1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000484145247 538756603 /nfs/dbraw/zinc/75/66/03/538756603.db2.gz OQKMXNVJLMHABD-UHFFFAOYSA-N -1 1 351.153 2.322 20 0 FEADMM O=C(N=c1ccc(O)n[n-]1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000484145247 538756610 /nfs/dbraw/zinc/75/66/10/538756610.db2.gz OQKMXNVJLMHABD-UHFFFAOYSA-N -1 1 351.153 2.322 20 0 FEADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)C1CCS(=O)(=O)CC1 ZINC000473657985 538788184 /nfs/dbraw/zinc/78/81/84/538788184.db2.gz KZGRNFGLKQPZMJ-UHFFFAOYSA-N -1 1 355.366 2.118 20 0 FEADMM CC[C@H]1C[N@@H+](CCNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCO1 ZINC000486024818 538863170 /nfs/dbraw/zinc/86/31/70/538863170.db2.gz ANXZYZYYSUJMJL-INIZCTEOSA-N -1 1 357.458 2.384 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000477431183 561144842 /nfs/dbraw/zinc/14/48/42/561144842.db2.gz KGUKYWCUTWEJPQ-JTQLQIEISA-N -1 1 365.773 2.194 20 0 FEADMM COC(=O)c1sc2[n-]c(COCC(F)(F)C(F)F)nc(=O)c2c1C ZINC000478240352 561162812 /nfs/dbraw/zinc/16/28/12/561162812.db2.gz VPZHDFFJEIXYGW-UHFFFAOYSA-N -1 1 368.308 2.497 20 0 FEADMM CC(=C([O-])c1c[nH]c2ncccc12)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000478769153 561174524 /nfs/dbraw/zinc/17/45/24/561174524.db2.gz HTWKIBSAPYANPJ-NSHDSACASA-N -1 1 372.402 2.379 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1ccc2ncsc2c1 ZINC000479128083 561182050 /nfs/dbraw/zinc/18/20/50/561182050.db2.gz JHTWLZLEIRFZOP-UHFFFAOYSA-N -1 1 358.408 2.277 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c(C)o1 ZINC000479160344 561183117 /nfs/dbraw/zinc/18/31/17/561183117.db2.gz JRZBHZRPIMNDOH-GFCCVEGCSA-N -1 1 355.334 2.384 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1 ZINC000479265048 561186191 /nfs/dbraw/zinc/18/61/91/561186191.db2.gz YNAQGYHVAQEZLB-UHFFFAOYSA-N -1 1 363.391 2.240 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000479565632 561192046 /nfs/dbraw/zinc/19/20/46/561192046.db2.gz LNDHXQXSSUSBFJ-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1 ZINC000174767991 546302944 /nfs/dbraw/zinc/30/29/44/546302944.db2.gz ATAUFGQAXNDVDN-UHFFFAOYSA-N -1 1 351.428 2.122 20 0 FEADMM CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nn[n-]n1 ZINC000176760366 546485353 /nfs/dbraw/zinc/48/53/53/546485353.db2.gz YXOBCWSJTCCFBP-HIFRSBDPSA-N -1 1 371.445 2.101 20 0 FEADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000480679001 561214229 /nfs/dbraw/zinc/21/42/29/561214229.db2.gz UAJOOAVPRUBGQM-UHFFFAOYSA-N -1 1 370.409 2.059 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC000480952220 561221207 /nfs/dbraw/zinc/22/12/07/561221207.db2.gz MZGVCGQNWDANSV-AWEZNQCLSA-N -1 1 367.402 2.081 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Cc2ccncc2)cc1 ZINC000481130602 561225846 /nfs/dbraw/zinc/22/58/46/561225846.db2.gz BQCQELCQSITGPE-UHFFFAOYSA-N -1 1 362.389 2.142 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(Br)o3)no2)o1 ZINC000178257933 546765160 /nfs/dbraw/zinc/76/51/60/546765160.db2.gz IMIUUGMPQJZOIW-UHFFFAOYSA-N -1 1 374.172 2.260 20 0 FEADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481587528 561236671 /nfs/dbraw/zinc/23/66/71/561236671.db2.gz LBJWEJKTHIOSEM-UHFFFAOYSA-N -1 1 362.407 2.111 20 0 FEADMM Cn1cnc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000178930032 546876373 /nfs/dbraw/zinc/87/63/73/546876373.db2.gz RWFNSKJDHBLFBV-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000481924538 561245667 /nfs/dbraw/zinc/24/56/67/561245667.db2.gz PZQHIQMIQQCLJH-UHFFFAOYSA-N -1 1 351.815 2.428 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ncn(C)c3=O)cc2)cc1 ZINC000179881924 547023554 /nfs/dbraw/zinc/02/35/54/547023554.db2.gz JBXOYWWISJNQPK-UHFFFAOYSA-N -1 1 372.450 2.495 20 0 FEADMM CCCOc1ccc([C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000482433475 561253998 /nfs/dbraw/zinc/25/39/98/561253998.db2.gz MEZKBHXDTICPQN-ZDUSSCGKSA-N -1 1 357.410 2.183 20 0 FEADMM CCc1c(NC(=O)CNC(=O)c2ncccc2[O-])cnn1C(CC)CC ZINC000482681565 561258316 /nfs/dbraw/zinc/25/83/16/561258316.db2.gz JBRMRJGZWLZEFW-UHFFFAOYSA-N -1 1 359.430 2.276 20 0 FEADMM CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 ZINC000180654575 547151747 /nfs/dbraw/zinc/15/17/47/547151747.db2.gz KZJDSGLPKGJBRW-UHFFFAOYSA-N -1 1 365.455 2.317 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1ccc(F)cc1F ZINC000180789360 547179890 /nfs/dbraw/zinc/17/98/90/547179890.db2.gz SJWBDDCPTUIHLT-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)c2ccco2)c1 ZINC000483195821 561270193 /nfs/dbraw/zinc/27/01/93/561270193.db2.gz UVWPHWGVGPWESO-UHFFFAOYSA-N -1 1 353.172 2.425 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@H](c2ccccc2)CO1 ZINC000182091354 547435283 /nfs/dbraw/zinc/43/52/83/547435283.db2.gz VFBGRBFENJWZIC-WBMJQRKESA-N -1 1 352.394 2.276 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCNC2=O)cc1 ZINC000484576287 561300428 /nfs/dbraw/zinc/30/04/28/561300428.db2.gz XPHOVEKPXUMAFH-UHFFFAOYSA-N -1 1 361.423 2.163 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)c1C ZINC000184966087 547907932 /nfs/dbraw/zinc/90/79/32/547907932.db2.gz CTUXONOBEOYXHK-CQSZACIVSA-N -1 1 368.499 2.400 20 0 FEADMM O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2)=NN1 ZINC000485259006 561315825 /nfs/dbraw/zinc/31/58/25/561315825.db2.gz ZIPHAGBFQZBCRR-UHFFFAOYSA-N -1 1 371.418 2.132 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185105417 547935287 /nfs/dbraw/zinc/93/52/87/547935287.db2.gz HIMGVOGIAUBCDO-TZMCWYRMSA-N -1 1 366.483 2.412 20 0 FEADMM CCc1ccc([C@@H]2CCCCN2C(=O)CNC(=O)c2ncccc2[O-])o1 ZINC000485409909 561318587 /nfs/dbraw/zinc/31/85/87/561318587.db2.gz QDSGEUZRCITCGN-AWEZNQCLSA-N -1 1 357.410 2.426 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)(C)C)c2O)co1 ZINC000185826663 548041248 /nfs/dbraw/zinc/04/12/48/548041248.db2.gz PWUCRNOSTVIGOS-UHFFFAOYSA-N -1 1 352.412 2.443 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000186311609 548116874 /nfs/dbraw/zinc/11/68/74/548116874.db2.gz HSRYYCAGYNUDSM-UHFFFAOYSA-N -1 1 365.386 2.015 20 0 FEADMM COC1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCCCC1 ZINC000186819158 548200847 /nfs/dbraw/zinc/20/08/47/548200847.db2.gz PXASLPICSYTUKS-UHFFFAOYSA-N -1 1 353.488 2.198 20 0 FEADMM O=S(=O)([N-]Cc1nc(-c2ccncc2)no1)c1ccc(F)c(F)c1F ZINC000192903899 548375425 /nfs/dbraw/zinc/37/54/25/548375425.db2.gz IGSJQEQKHALHHG-UHFFFAOYSA-N -1 1 370.312 2.027 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000193719046 548394255 /nfs/dbraw/zinc/39/42/55/548394255.db2.gz IRNWTJNLCXWKRI-LBPRGKRZSA-N -1 1 366.361 2.268 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)oc1C ZINC000486558909 561350852 /nfs/dbraw/zinc/35/08/52/561350852.db2.gz RQPWRRDUCFTHBI-UHFFFAOYSA-N -1 1 353.331 2.191 20 0 FEADMM CC(C)n1ncc2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc21 ZINC000486628941 561352771 /nfs/dbraw/zinc/35/27/71/561352771.db2.gz PJAJEZCAAFONNH-UHFFFAOYSA-N -1 1 353.382 2.086 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)ccc12 ZINC000194656217 548512386 /nfs/dbraw/zinc/51/23/86/548512386.db2.gz MKCKYLKNEHPQSU-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)ccc12 ZINC000194656217 548512397 /nfs/dbraw/zinc/51/23/97/548512397.db2.gz MKCKYLKNEHPQSU-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM O=S(=O)([N-]CC(F)(F)F)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000195174792 548589793 /nfs/dbraw/zinc/58/97/93/548589793.db2.gz PAFZCMBTYXKFIC-AWEZNQCLSA-N -1 1 365.421 2.027 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)Cc2noc(-c3ccsc3)n2)[n-]1 ZINC000195173386 548590089 /nfs/dbraw/zinc/59/00/89/548590089.db2.gz LUQHIGNCTRCREP-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2noc(-c3ccsc3)n2)n1 ZINC000195173386 548590094 /nfs/dbraw/zinc/59/00/94/548590094.db2.gz LUQHIGNCTRCREP-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2noc(-c3ccsc3)n2)n[n-]1 ZINC000195173386 548590096 /nfs/dbraw/zinc/59/00/96/548590096.db2.gz LUQHIGNCTRCREP-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CC(C)c1nc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)no1 ZINC000195212137 548597796 /nfs/dbraw/zinc/59/77/96/548597796.db2.gz TUYLNKQHVFYRJQ-UHFFFAOYSA-N -1 1 373.438 2.441 20 0 FEADMM CC(C)c1nc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)no1 ZINC000195212137 548597800 /nfs/dbraw/zinc/59/78/00/548597800.db2.gz TUYLNKQHVFYRJQ-UHFFFAOYSA-N -1 1 373.438 2.441 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(Cl)c2F)c1 ZINC000486949340 561360175 /nfs/dbraw/zinc/36/01/75/561360175.db2.gz ZYVMQPPMMLZSAV-UHFFFAOYSA-N -1 1 358.778 2.013 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)c1 ZINC000195287658 548613759 /nfs/dbraw/zinc/61/37/59/548613759.db2.gz DEEMDQGMMIVAOH-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)c1 ZINC000195287658 548613765 /nfs/dbraw/zinc/61/37/65/548613765.db2.gz DEEMDQGMMIVAOH-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)c1 ZINC000195287658 548613771 /nfs/dbraw/zinc/61/37/71/548613771.db2.gz DEEMDQGMMIVAOH-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)sc1C(=O)[O-] ZINC000237565499 548835806 /nfs/dbraw/zinc/83/58/06/548835806.db2.gz FVBFBDMKMPOWOY-PWSUYJOCSA-N -1 1 360.501 2.153 20 0 FEADMM Cc1cnc(-c2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c2)o1 ZINC000488153248 561384685 /nfs/dbraw/zinc/38/46/85/561384685.db2.gz CHWHZLZSMSECEH-UHFFFAOYSA-N -1 1 352.350 2.119 20 0 FEADMM CSc1cc(O)ccc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000489107533 561403458 /nfs/dbraw/zinc/40/34/58/561403458.db2.gz XMNDXYDSNJQSFN-UHFFFAOYSA-N -1 1 356.425 2.210 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000490419011 561432665 /nfs/dbraw/zinc/43/26/65/561432665.db2.gz HWLJTCZLBWUELP-UHFFFAOYSA-N -1 1 352.466 2.449 20 0 FEADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000490565272 561435276 /nfs/dbraw/zinc/43/52/76/561435276.db2.gz MLIKRQMRCAXROI-INIZCTEOSA-N -1 1 353.422 2.498 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000263341756 549895847 /nfs/dbraw/zinc/89/58/47/549895847.db2.gz NOZMJTVEYOEJKT-TZMCWYRMSA-N -1 1 374.416 2.301 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000263407090 549899999 /nfs/dbraw/zinc/89/99/99/549899999.db2.gz KGRCIVNKTJTYMH-GOSISDBHSA-N -1 1 370.405 2.297 20 0 FEADMM COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CCN2C2CC2)c1 ZINC000263548748 549908553 /nfs/dbraw/zinc/90/85/53/549908553.db2.gz JAENBGVUIXGHTN-FJIDUMEYSA-N -1 1 372.465 2.446 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NO[C@H]1CCCCO1 ZINC000263794569 549938143 /nfs/dbraw/zinc/93/81/43/549938143.db2.gz KTZZSXSPYHMISR-INIZCTEOSA-N -1 1 358.398 2.060 20 0 FEADMM COc1ccc(NC(=O)N2CCS[C@H](C)[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000268994605 550142044 /nfs/dbraw/zinc/14/20/44/550142044.db2.gz HVAJBYDFVKLJPA-WDEREUQCSA-N -1 1 373.500 2.424 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000270069378 550246698 /nfs/dbraw/zinc/24/66/98/550246698.db2.gz ZBBGOXRZJVLBOI-ZDUSSCGKSA-N -1 1 357.428 2.226 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cs1 ZINC000272495820 550453138 /nfs/dbraw/zinc/45/31/38/550453138.db2.gz SVKMSRDBQHBPOI-UHFFFAOYSA-N -1 1 351.356 2.305 20 0 FEADMM CC[C@@H](C[C@@H](C)CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000494673072 561473891 /nfs/dbraw/zinc/47/38/91/561473891.db2.gz OTWFSPSAHATCHC-DOMZBBRYSA-N -1 1 358.442 2.008 20 0 FEADMM C[C@H](CO)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000494722353 561475354 /nfs/dbraw/zinc/47/53/54/561475354.db2.gz ZERBXKPSVUXADK-KGLIPLIRSA-N -1 1 362.451 2.234 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC2(OC)CCC2)c1 ZINC000276869512 550605235 /nfs/dbraw/zinc/60/52/35/550605235.db2.gz RBDSGANNGVDWAH-UHFFFAOYSA-N -1 1 370.471 2.320 20 0 FEADMM CNC(=O)c1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2OC)cc1 ZINC000277260088 550648929 /nfs/dbraw/zinc/64/89/29/550648929.db2.gz KRXYBJPQHLWATR-INIZCTEOSA-N -1 1 372.421 2.369 20 0 FEADMM Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000277304321 550653962 /nfs/dbraw/zinc/65/39/62/550653962.db2.gz AYNYNDCQYRZDCX-MRDQGFSESA-N -1 1 369.446 2.225 20 0 FEADMM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000277652835 550696928 /nfs/dbraw/zinc/69/69/28/550696928.db2.gz DTLQBTAZUUHPGN-CBAPKCEASA-N -1 1 369.668 2.201 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000277662260 550698050 /nfs/dbraw/zinc/69/80/50/550698050.db2.gz JBUIAPBBWGFJFH-UHFFFAOYSA-N -1 1 364.352 2.279 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3cccs3)CC2)n1 ZINC000277770861 550712083 /nfs/dbraw/zinc/71/20/83/550712083.db2.gz RDWJCWWFSFKEKH-UHFFFAOYSA-N -1 1 362.455 2.382 20 0 FEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1 ZINC000278102778 550749266 /nfs/dbraw/zinc/74/92/66/550749266.db2.gz AFJCAOOQXVBFCR-UHFFFAOYSA-N -1 1 359.354 2.384 20 0 FEADMM O=C1NC2(CCCC2)C(=O)N1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278316665 550772223 /nfs/dbraw/zinc/77/22/23/550772223.db2.gz YNVCBORKAORYDH-UHFFFAOYSA-N -1 1 362.773 2.460 20 0 FEADMM C[C@@H]1COCC[C@@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000278434011 550785650 /nfs/dbraw/zinc/78/56/50/550785650.db2.gz HAIBPZRNHOFZKI-KCJUWKMLSA-N -1 1 361.179 2.152 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000278931152 550837358 /nfs/dbraw/zinc/83/73/58/550837358.db2.gz WFMJUUGHVNPQER-GFCCVEGCSA-N -1 1 351.325 2.450 20 0 FEADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1O ZINC000279257402 550870610 /nfs/dbraw/zinc/87/06/10/550870610.db2.gz ILAMSUVQKATSAI-KRWDZBQOSA-N -1 1 374.462 2.330 20 0 FEADMM CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279322472 550877433 /nfs/dbraw/zinc/87/74/33/550877433.db2.gz MZBCVCLXORBTGZ-ZVTCDHROSA-N -1 1 367.453 2.393 20 0 FEADMM COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000279451273 550891633 /nfs/dbraw/zinc/89/16/33/550891633.db2.gz FZJSFWRTTYWDSW-JTQLQIEISA-N -1 1 369.347 2.303 20 0 FEADMM O=S(=O)([N-]CCN1CC=CCC1)c1sccc1Br ZINC000280233864 550973505 /nfs/dbraw/zinc/97/35/05/550973505.db2.gz LVSDNGNRKYIEHM-UHFFFAOYSA-N -1 1 351.291 2.051 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC1CCC1)c1sccc1Br ZINC000280332441 550981799 /nfs/dbraw/zinc/98/17/99/550981799.db2.gz UXRVUDGANVXWCM-SECBINFHSA-N -1 1 354.291 2.340 20 0 FEADMM O=C(NC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1)c1ccsc1 ZINC000280974328 551050864 /nfs/dbraw/zinc/05/08/64/551050864.db2.gz OSERKNXUWKKHQY-UHFFFAOYSA-N -1 1 358.419 2.057 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000281476213 551102433 /nfs/dbraw/zinc/10/24/33/551102433.db2.gz CUROJHYFDNBDPH-SJORKVTESA-N -1 1 368.437 2.265 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)o1 ZINC000281583957 551116043 /nfs/dbraw/zinc/11/60/43/551116043.db2.gz VBECPHHPWZHJKA-AULYBMBSSA-N -1 1 352.387 2.003 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)co1 ZINC000281785026 551143195 /nfs/dbraw/zinc/14/31/95/551143195.db2.gz VGVKARORSQCURS-SNVBAGLBSA-N -1 1 354.453 2.401 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c[nH]1 ZINC000281857299 551148951 /nfs/dbraw/zinc/14/89/51/551148951.db2.gz MRFPDSKQWKRNKY-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM COc1cccc2c1CCCN2C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000497527506 561503261 /nfs/dbraw/zinc/50/32/61/561503261.db2.gz YHIBDJNFZIBVPI-UHFFFAOYSA-N -1 1 366.377 2.346 20 0 FEADMM COc1cccc2c1CCCN2C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000497527506 561503262 /nfs/dbraw/zinc/50/32/62/561503262.db2.gz YHIBDJNFZIBVPI-UHFFFAOYSA-N -1 1 366.377 2.346 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000282637242 551254444 /nfs/dbraw/zinc/25/44/44/551254444.db2.gz KZTAQVOJTAUWSQ-GFCCVEGCSA-N -1 1 352.385 2.124 20 0 FEADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[S@](=O)C1 ZINC000282715866 551263057 /nfs/dbraw/zinc/26/30/57/551263057.db2.gz BDIIIBUQVOHJDC-VCGICTTQSA-N -1 1 352.843 2.434 20 0 FEADMM O=C(COc1cccc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282804215 551272136 /nfs/dbraw/zinc/27/21/36/551272136.db2.gz AQLPUBFQWYPXKE-CQSZACIVSA-N -1 1 352.394 2.036 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282855824 551278154 /nfs/dbraw/zinc/27/81/54/551278154.db2.gz GVVFCYOPALKVGG-CQSZACIVSA-N -1 1 367.409 2.092 20 0 FEADMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000283041479 551302169 /nfs/dbraw/zinc/30/21/69/551302169.db2.gz GQWMLLVXXAHNCO-VSHNBXGOSA-N -1 1 352.394 2.101 20 0 FEADMM CNC(=O)C1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000283171062 551323073 /nfs/dbraw/zinc/32/30/73/551323073.db2.gz NGZASYSLKBWLPP-UHFFFAOYSA-N -1 1 350.802 2.110 20 0 FEADMM COCCO[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000283497219 551376771 /nfs/dbraw/zinc/37/67/71/551376771.db2.gz DJXRZMDJRLJQPQ-LBPRGKRZSA-N -1 1 350.802 2.471 20 0 FEADMM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1OC ZINC000283750491 551421744 /nfs/dbraw/zinc/42/17/44/551421744.db2.gz QGVPVNHIFNZXAQ-CQSZACIVSA-N -1 1 374.441 2.305 20 0 FEADMM O=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283787117 551427277 /nfs/dbraw/zinc/42/72/77/551427277.db2.gz VRRJKVXBYDDITA-LLVKDONJSA-N -1 1 357.801 2.319 20 0 FEADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000285202479 551719995 /nfs/dbraw/zinc/71/99/95/551719995.db2.gz LLFDBUMKILFVER-ZETCQYMHSA-N -1 1 369.668 2.321 20 0 FEADMM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000285485618 551763985 /nfs/dbraw/zinc/76/39/85/551763985.db2.gz DDRPKZWANJCNOF-RKDXNWHRSA-N -1 1 354.291 2.462 20 0 FEADMM CC(C)[C@H](NC(=O)c1cc(Br)ccc1[O-])c1nncn1C ZINC000285879599 551822807 /nfs/dbraw/zinc/82/28/07/551822807.db2.gz BGMPRPQKGRRHIC-LBPRGKRZSA-N -1 1 353.220 2.410 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(CCO)CCCC1 ZINC000285943976 551829963 /nfs/dbraw/zinc/82/99/63/551829963.db2.gz IGHKJLHXSPQZQR-UHFFFAOYSA-N -1 1 370.453 2.297 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H]1CCC[C@H]1O ZINC000286502765 551893727 /nfs/dbraw/zinc/89/37/27/551893727.db2.gz WDRMEGAJBNVPMC-QZTJIDSGSA-N -1 1 374.462 2.473 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCOC[C@@H]1C ZINC000286841235 551932260 /nfs/dbraw/zinc/93/22/60/551932260.db2.gz LTKJOZPJDCQRAK-DZGCQCFKSA-N -1 1 370.453 2.274 20 0 FEADMM CN(CCCNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1F ZINC000287007534 551950953 /nfs/dbraw/zinc/95/09/53/551950953.db2.gz CPAXKJGVTOIXHV-HAHDFKILSA-N -1 1 356.405 2.129 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@H](COc4ccccc4)C3)ccnc1-2 ZINC000287028736 551953508 /nfs/dbraw/zinc/95/35/08/551953508.db2.gz CNXPZNABMNNKMG-AEWZPABSSA-N -1 1 351.410 2.275 20 0 FEADMM CC(C)C[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(=O)OC(C)(C)C ZINC000287031346 551953904 /nfs/dbraw/zinc/95/39/04/551953904.db2.gz CRLVEHGGUIUSRK-SFDYMUJDSA-N -1 1 361.446 2.220 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCn3c(cc4ccccc43)C2)co1 ZINC000287196886 551975319 /nfs/dbraw/zinc/97/53/19/551975319.db2.gz PETIZRJZXIOHQW-UHFFFAOYSA-N -1 1 373.434 2.189 20 0 FEADMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287402178 551999414 /nfs/dbraw/zinc/99/94/14/551999414.db2.gz GTVXBQADULDPDN-AKVJFXEFSA-N -1 1 367.409 2.213 20 0 FEADMM CCC1(CC)CCCN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000287502453 552012338 /nfs/dbraw/zinc/01/23/38/552012338.db2.gz ACHWWEMWKKFYHX-JCMHNJIXSA-N -1 1 357.458 2.099 20 0 FEADMM Cc1cnccc1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000287755100 552042446 /nfs/dbraw/zinc/04/24/46/552042446.db2.gz QAPKDCPFSDYFKN-JKOKRWQUSA-N -1 1 372.391 2.377 20 0 FEADMM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1c(F)ccc([O-])c1F ZINC000288497708 552163926 /nfs/dbraw/zinc/16/39/26/552163926.db2.gz QCFCCKCJNZYXCX-NSHDSACASA-N -1 1 353.369 2.080 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)Cc2ccc(C)cc2)(C(=O)OC)C1(C)C ZINC000289170243 552276937 /nfs/dbraw/zinc/27/69/37/552276937.db2.gz MLBVGRWWBJRVCD-YJBOKZPZSA-N -1 1 369.483 2.161 20 0 FEADMM O=C(Cc1ccccc1)N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289311334 552299717 /nfs/dbraw/zinc/29/97/17/552299717.db2.gz SCSKCVBENHLWJW-UHFFFAOYSA-N -1 1 360.360 2.198 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000530175235 562401550 /nfs/dbraw/zinc/40/15/50/562401550.db2.gz PEHQNCZACBDETE-AGGWBTHJSA-N -1 1 354.472 2.011 20 0 FEADMM O=c1nc([C@@H]2CCCN(Cc3nnc(-c4ccc(Cl)cc4)o3)C2)[nH][n-]1 ZINC000289370322 552309475 /nfs/dbraw/zinc/30/94/75/552309475.db2.gz IEQHBJYBHVORIY-LLVKDONJSA-N -1 1 360.805 2.181 20 0 FEADMM O=c1nc([C@H]2CCCN(Cc3ccc(Br)cc3F)C2)[nH][n-]1 ZINC000289452914 552324328 /nfs/dbraw/zinc/32/43/28/552324328.db2.gz PHEVSBSPPBAVOF-JTQLQIEISA-N -1 1 355.211 2.379 20 0 FEADMM Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289614138 552349752 /nfs/dbraw/zinc/34/97/52/552349752.db2.gz RBLRQSMGEJQGQO-LBPRGKRZSA-N -1 1 364.389 2.074 20 0 FEADMM Cc1cccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1Br ZINC000289798012 552380419 /nfs/dbraw/zinc/38/04/19/552380419.db2.gz YFLNHMVRKRVERH-JTQLQIEISA-N -1 1 365.231 2.189 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)c1Cl ZINC000289825475 552384391 /nfs/dbraw/zinc/38/43/91/552384391.db2.gz KXCKBHSTFCFNAC-SNVBAGLBSA-N -1 1 363.892 2.173 20 0 FEADMM CC(C)Oc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccn1 ZINC000290418022 552476283 /nfs/dbraw/zinc/47/62/83/552476283.db2.gz RNLOUPDFZCQDRN-LBPRGKRZSA-N -1 1 373.375 2.400 20 0 FEADMM CCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1cccc(Cl)c1 ZINC000290497756 552488457 /nfs/dbraw/zinc/48/84/57/552488457.db2.gz KAZUYBJCZBGZSO-UHFFFAOYSA-N -1 1 371.846 2.393 20 0 FEADMM Cc1cccc(N2CCN(Cc3ccc(NC(=O)C(=O)[O-])cc3)CC2)c1 ZINC000290551184 552497191 /nfs/dbraw/zinc/49/71/91/552497191.db2.gz QBBPNUWWBCVREL-UHFFFAOYSA-N -1 1 353.422 2.340 20 0 FEADMM C[C@H]1CCN(Cc2cnc3cnccn23)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290650115 552513257 /nfs/dbraw/zinc/51/32/57/552513257.db2.gz ZBTNBDQEHQTTBU-MJVIPROJSA-N -1 1 355.364 2.007 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)s1 ZINC000290769435 552535088 /nfs/dbraw/zinc/53/50/88/552535088.db2.gz OHTOMSXNJMJPKF-UHFFFAOYSA-N -1 1 358.441 2.180 20 0 FEADMM COc1ccccc1CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290815869 552542789 /nfs/dbraw/zinc/54/27/89/552542789.db2.gz RVLSBSUEZBFEMU-LBPRGKRZSA-N -1 1 373.375 2.295 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000290858256 552550956 /nfs/dbraw/zinc/55/09/56/552550956.db2.gz ILCUEJPVQJNDOS-JTQLQIEISA-N -1 1 352.385 2.488 20 0 FEADMM C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000291047774 552580563 /nfs/dbraw/zinc/58/05/63/552580563.db2.gz XBZCDQGOWLQMNW-BXUZGUMPSA-N -1 1 358.360 2.346 20 0 FEADMM CC(C)Nc1ncccc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291245000 552605646 /nfs/dbraw/zinc/60/56/46/552605646.db2.gz XSAJHLCLOZMUKL-LBPRGKRZSA-N -1 1 372.391 2.433 20 0 FEADMM C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000291984188 552681469 /nfs/dbraw/zinc/68/14/69/552681469.db2.gz VMZJFSTVDCLWLP-GFCCVEGCSA-N -1 1 370.446 2.019 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000291992332 552682472 /nfs/dbraw/zinc/68/24/72/552682472.db2.gz WLSHTNGBZGPMNH-ZDUSSCGKSA-N -1 1 366.483 2.188 20 0 FEADMM COc1ccccc1NCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000292107372 552694462 /nfs/dbraw/zinc/69/44/62/552694462.db2.gz PXYOWADCGFYYII-GFCCVEGCSA-N -1 1 373.375 2.024 20 0 FEADMM COc1ccc(CNC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cc1 ZINC000292654778 552746827 /nfs/dbraw/zinc/74/68/27/552746827.db2.gz ALSGJLUOJUKYKH-BXUZGUMPSA-N -1 1 373.375 2.436 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1COc2ccccc2[C@@H]1O ZINC000292877174 552767599 /nfs/dbraw/zinc/76/75/99/552767599.db2.gz AGNIHDGIIUGIHU-WFASDCNBSA-N -1 1 357.410 2.013 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(C(F)(F)F)n1 ZINC000293555177 552835239 /nfs/dbraw/zinc/83/52/39/552835239.db2.gz RKMBBLBKIVUMIM-KWCYVHTRSA-N -1 1 371.384 2.446 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000293583081 552837581 /nfs/dbraw/zinc/83/75/81/552837581.db2.gz FZHXNBMCDRVQFN-SUMWQHHRSA-N -1 1 364.396 2.488 20 0 FEADMM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000293662151 552845023 /nfs/dbraw/zinc/84/50/23/552845023.db2.gz HTEIOLNXTHNXNV-GFCCVEGCSA-N -1 1 360.501 2.169 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@](C)(O)c1ccccc1 ZINC000293929522 552868794 /nfs/dbraw/zinc/86/87/94/552868794.db2.gz QHECKSHRWILEJG-MRRJBJDNSA-N -1 1 372.387 2.342 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000294001399 552874221 /nfs/dbraw/zinc/87/42/21/552874221.db2.gz LCNXQALAFCORSK-KOMQPUFPSA-N -1 1 368.412 2.383 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000294492062 552910463 /nfs/dbraw/zinc/91/04/63/552910463.db2.gz YLLUSPRYNTXBAC-LBPRGKRZSA-N -1 1 367.452 2.102 20 0 FEADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)n1 ZINC000295149023 552963384 /nfs/dbraw/zinc/96/33/84/552963384.db2.gz NHJBYYLUYHOJGF-GDBMZVCRSA-N -1 1 357.458 2.181 20 0 FEADMM O=C(NCc1ccc(Cn2ccnc2)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000502023069 561610178 /nfs/dbraw/zinc/61/01/78/561610178.db2.gz MITJLQQDWILRON-UHFFFAOYSA-N -1 1 359.389 2.098 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000296074944 553100613 /nfs/dbraw/zinc/10/06/13/553100613.db2.gz KYVMETUFMUSURF-CABZTGNLSA-N -1 1 370.375 2.371 20 0 FEADMM COc1ccc(NC(=O)N2CCC(CF)CC2)cc1[N-]S(C)(=O)=O ZINC000297068499 553249118 /nfs/dbraw/zinc/24/91/18/553249118.db2.gz WIXWXIGYRIUFRP-UHFFFAOYSA-N -1 1 359.423 2.280 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@](COC)(C(=O)OC)C2)cc(Cl)c1[O-] ZINC000297282586 553272976 /nfs/dbraw/zinc/27/29/76/553272976.db2.gz SVNJWABKBSSCEC-QGZVFWFLSA-N -1 1 371.817 2.096 20 0 FEADMM O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000297860363 553348858 /nfs/dbraw/zinc/34/88/58/553348858.db2.gz YNDDCYUVBSZAMR-IUCAKERBSA-N -1 1 363.780 2.232 20 0 FEADMM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cc(C)oc3C)C2=O)c1 ZINC000298086767 553382378 /nfs/dbraw/zinc/38/23/78/553382378.db2.gz FVYVSQSNFBRSHA-SFHVURJKSA-N -1 1 357.366 2.017 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC)c1ccc(OC)cc1 ZINC000298121976 553387038 /nfs/dbraw/zinc/38/70/38/553387038.db2.gz UDQDEZJYMRKMPZ-AWEZNQCLSA-N -1 1 367.427 2.025 20 0 FEADMM CCOc1cc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1[O-] ZINC000298166984 553393148 /nfs/dbraw/zinc/39/31/48/553393148.db2.gz KHFPVRKGWOYLTM-LLVKDONJSA-N -1 1 361.847 2.094 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@@H](O)C3)c2)c1 ZINC000298361805 553416623 /nfs/dbraw/zinc/41/66/23/553416623.db2.gz LOYBVUVCCASBEY-IYBDPMFKSA-N -1 1 374.462 2.357 20 0 FEADMM O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299042612 553507561 /nfs/dbraw/zinc/50/75/61/553507561.db2.gz SGDXGENHOOEUJB-ZDUSSCGKSA-N -1 1 369.450 2.170 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000299344753 553550824 /nfs/dbraw/zinc/55/08/24/553550824.db2.gz KHUBMRNYDUFNBM-CHWSQXEVSA-N -1 1 356.426 2.121 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)OC[C@H]1C ZINC000299344758 553550832 /nfs/dbraw/zinc/55/08/32/553550832.db2.gz KHUBMRNYDUFNBM-OLZOCXBDSA-N -1 1 356.426 2.121 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)c1 ZINC000504241566 561654903 /nfs/dbraw/zinc/65/49/03/561654903.db2.gz OSVIGTPNPQBTES-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM Cc1nc(-c2ccc(NCC(=O)NCc3ccco3)nc2)[n-]c(=O)c1C ZINC000301201338 553630559 /nfs/dbraw/zinc/63/05/59/553630559.db2.gz QGWHTFITYGLVDF-UHFFFAOYSA-N -1 1 353.382 2.182 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CCC[C@H](O)C2)nc1 ZINC000301203880 553630829 /nfs/dbraw/zinc/63/08/29/553630829.db2.gz OTACBLUCFYULHU-LBPRGKRZSA-N -1 1 369.393 2.122 20 0 FEADMM COCCN(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301558559 553660719 /nfs/dbraw/zinc/66/07/19/553660719.db2.gz TXLHNOCTWZZWEQ-UHFFFAOYSA-N -1 1 357.382 2.243 20 0 FEADMM C[C@]1(O)CCN(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)C1 ZINC000301852194 553685689 /nfs/dbraw/zinc/68/56/89/553685689.db2.gz BNZDPIBRHMVVAC-INIZCTEOSA-N -1 1 369.393 2.122 20 0 FEADMM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1=O ZINC000505378770 561670171 /nfs/dbraw/zinc/67/01/71/561670171.db2.gz DXSVLTDSRQSDSN-SJKOYZFVSA-N -1 1 357.385 2.408 20 0 FEADMM O=C([O-])C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000309935067 553753531 /nfs/dbraw/zinc/75/35/31/553753531.db2.gz XYHWIGDXUQTIJH-ONGXEEELSA-N -1 1 360.363 2.046 20 0 FEADMM O=S(=O)([N-]c1n[nH]cc1Br)c1ccc2c(c1)OCCCO2 ZINC000313904590 553758537 /nfs/dbraw/zinc/75/85/37/553758537.db2.gz CKSQVNIGGDGDFC-UHFFFAOYSA-N -1 1 374.216 2.134 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000326737992 553783192 /nfs/dbraw/zinc/78/31/92/553783192.db2.gz IVSZOLYUNQDFOJ-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1CO ZINC000327308790 553787934 /nfs/dbraw/zinc/78/79/34/553787934.db2.gz GMZUNTNDJLPNJH-UHFFFAOYSA-N -1 1 369.370 2.216 20 0 FEADMM CC[C@@H]1C[C@]1(NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(C)c1 ZINC000506176921 561692433 /nfs/dbraw/zinc/69/24/33/561692433.db2.gz POKLBOBQBJJZDA-JLTOFOAXSA-N -1 1 353.422 2.267 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cnc2n1CCC2)c1nc(C2CCCCC2)no1 ZINC000330015213 554049674 /nfs/dbraw/zinc/04/96/74/554049674.db2.gz NPEZGWDUQBVLFP-LLVKDONJSA-N -1 1 365.459 2.300 20 0 FEADMM Cc1cnc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000330294962 554101290 /nfs/dbraw/zinc/10/12/90/554101290.db2.gz FLPISUQYJKBPSA-HNNXBMFYSA-N -1 1 357.454 2.350 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(OC(F)F)c1 ZINC000507872460 561743952 /nfs/dbraw/zinc/74/39/52/561743952.db2.gz JNEQJQPZYYMHBS-VIFPVBQESA-N -1 1 369.324 2.405 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F)c1ccccc1 ZINC000507918708 561745855 /nfs/dbraw/zinc/74/58/55/561745855.db2.gz POTKFGDGBXPFNW-NSHDSACASA-N -1 1 373.381 2.354 20 0 FEADMM C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000330440534 554122309 /nfs/dbraw/zinc/12/23/09/554122309.db2.gz ORRLUCFACGHEPD-VXGBXAGGSA-N -1 1 358.460 2.044 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000330445573 554122569 /nfs/dbraw/zinc/12/25/69/554122569.db2.gz VLNXQGDVRGNLNU-BXUZGUMPSA-N -1 1 359.444 2.186 20 0 FEADMM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1cccc(Br)c1 ZINC000330598919 554143357 /nfs/dbraw/zinc/14/33/57/554143357.db2.gz TXEOYONRFSOMLO-SNVBAGLBSA-N -1 1 374.178 2.449 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1OC ZINC000508243173 561756222 /nfs/dbraw/zinc/75/62/22/561756222.db2.gz SHEPJBVRYFYHHE-UHFFFAOYSA-N -1 1 359.350 2.275 20 0 FEADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000508245172 561756431 /nfs/dbraw/zinc/75/64/31/561756431.db2.gz FDPDEBFAVNIJSB-UHFFFAOYSA-N -1 1 364.427 2.358 20 0 FEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000508370135 561760215 /nfs/dbraw/zinc/76/02/15/561760215.db2.gz UKBGQBBZKLNGGP-INIZCTEOSA-N -1 1 353.422 2.059 20 0 FEADMM C[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000508377540 561760701 /nfs/dbraw/zinc/76/07/01/561760701.db2.gz BVHLRTIKHNCFNQ-HOCLYGCPSA-N -1 1 353.422 2.169 20 0 FEADMM Cc1ccc([C@H]2CSCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000508377476 561760733 /nfs/dbraw/zinc/76/07/33/561760733.db2.gz UPKBAWKATKOYNH-OAHLLOKOSA-N -1 1 371.462 2.142 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C1CC1)c1cc(Br)sc1Cl ZINC000331596425 554291321 /nfs/dbraw/zinc/29/13/21/554291321.db2.gz CMLUJUBLHSVWDX-LURJTMIESA-N -1 1 360.682 2.213 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cnc2ccccc2c1 ZINC000509104352 561785098 /nfs/dbraw/zinc/78/50/98/561785098.db2.gz VVIDNWWJUPHGJG-UHFFFAOYSA-N -1 1 370.369 2.150 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ncnn3C(C)(C)C)n2)cc1 ZINC000509136416 561786479 /nfs/dbraw/zinc/78/64/79/561786479.db2.gz HVGJLAINQCASDE-UHFFFAOYSA-N -1 1 360.443 2.101 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3ncnn3C(C)(C)C)n[n-]2)cc1 ZINC000509136416 561786480 /nfs/dbraw/zinc/78/64/80/561786480.db2.gz HVGJLAINQCASDE-UHFFFAOYSA-N -1 1 360.443 2.101 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)sc1C ZINC000509232870 561791518 /nfs/dbraw/zinc/79/15/18/561791518.db2.gz JFFLUZDDFUEYRF-UHFFFAOYSA-N -1 1 368.415 2.428 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@H](O)C2)cc1 ZINC000509340293 561795666 /nfs/dbraw/zinc/79/56/66/561795666.db2.gz BMRXUPJPMRCCCL-KBXCAEBGSA-N -1 1 374.462 2.249 20 0 FEADMM COC(=O)c1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1F ZINC000509393219 561797479 /nfs/dbraw/zinc/79/74/79/561797479.db2.gz XIBIBQQWALCEEG-UHFFFAOYSA-N -1 1 369.345 2.487 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000332047476 554369622 /nfs/dbraw/zinc/36/96/22/554369622.db2.gz YIVBBEDAYADARQ-UHFFFAOYSA-N -1 1 362.238 2.619 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c[nH]1 ZINC000509567775 561805553 /nfs/dbraw/zinc/80/55/53/561805553.db2.gz KJPSNSYCBMAXEF-UHFFFAOYSA-N -1 1 363.317 2.488 20 0 FEADMM O=S(=O)([N-]CC1(O)CCC1)c1cc(Cl)c(Br)cc1F ZINC000332497895 554457035 /nfs/dbraw/zinc/45/70/35/554457035.db2.gz VPGIYEAJVCJYFV-UHFFFAOYSA-N -1 1 372.643 2.435 20 0 FEADMM O=S(=O)([N-]CC1(O)CCC1)c1c(Cl)cc(F)cc1Br ZINC000332503845 554457673 /nfs/dbraw/zinc/45/76/73/554457673.db2.gz WUZBZVDCGHGOHL-UHFFFAOYSA-N -1 1 372.643 2.435 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](CNC(=O)C(C)C)C3)cnc2n1 ZINC000332543713 554468186 /nfs/dbraw/zinc/46/81/86/554468186.db2.gz ZFHJAULYQGTLDS-CQSZACIVSA-N -1 1 370.453 2.268 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1)c2=O ZINC000332543713 554468188 /nfs/dbraw/zinc/46/81/88/554468188.db2.gz ZFHJAULYQGTLDS-CQSZACIVSA-N -1 1 370.453 2.268 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc3c2OCO3)o1 ZINC000510325376 561831505 /nfs/dbraw/zinc/83/15/05/561831505.db2.gz SJEOMHPTQDZQEM-GFCCVEGCSA-N -1 1 353.396 2.237 20 0 FEADMM O=C(N[C@H]1CCCOC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000333082238 554569135 /nfs/dbraw/zinc/56/91/35/554569135.db2.gz QTGQWRWMIMZXMB-MAUKXSAKSA-N -1 1 368.433 2.445 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)o1 ZINC000510728439 561844873 /nfs/dbraw/zinc/84/48/73/561844873.db2.gz GSHUBSDAQXTKJY-UHFFFAOYSA-N -1 1 356.400 2.275 20 0 FEADMM CC1(C)C[C@@]1(C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000612118449 554736413 /nfs/dbraw/zinc/73/64/13/554736413.db2.gz FLVVMIBKIHDTMX-SFHVURJKSA-N -1 1 357.483 2.137 20 0 FEADMM CCCS(=O)(=O)Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000350257461 554773407 /nfs/dbraw/zinc/77/34/07/554773407.db2.gz PBWKYROGUQQYJN-UHFFFAOYSA-N -1 1 360.395 2.016 20 0 FEADMM O=C1CNC(=O)N1Cc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000350566624 554798435 /nfs/dbraw/zinc/79/84/35/554798435.db2.gz DYSPLFOUSKXACM-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM COc1cc(-c2noc(-c3cn(C)nn3)n2)cc(Br)c1[O-] ZINC000350585149 554800288 /nfs/dbraw/zinc/80/02/88/554800288.db2.gz AOBRHQNAAGNJKH-UHFFFAOYSA-N -1 1 352.148 2.009 20 0 FEADMM O=C1CCC(=O)N(c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)N1 ZINC000350822848 554816381 /nfs/dbraw/zinc/81/63/81/554816381.db2.gz IGJAFGYKQNVXPI-UHFFFAOYSA-N -1 1 368.324 2.406 20 0 FEADMM C[C@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccccc1C(F)(F)F ZINC000360939304 554896433 /nfs/dbraw/zinc/89/64/33/554896433.db2.gz CDQFAZNOMQCHBV-MFKMUULPSA-N -1 1 369.347 2.312 20 0 FEADMM COc1ccccc1[C@H]1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000360989904 554898870 /nfs/dbraw/zinc/89/88/70/554898870.db2.gz NHTOMZAKAQYVKY-LBPRGKRZSA-N -1 1 352.394 2.312 20 0 FEADMM CC(C)(C)Oc1cc(F)ccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000511595144 561873898 /nfs/dbraw/zinc/87/38/98/561873898.db2.gz PCGBJXFDTNXEDG-UHFFFAOYSA-N -1 1 361.373 2.472 20 0 FEADMM Cc1ncc(CN2CC[C@H](NC(=O)N=c3[n-]nc(C)s3)[C@@H](C)C2)s1 ZINC000363248321 555063100 /nfs/dbraw/zinc/06/31/00/555063100.db2.gz DVPUMQBEEHVMBB-ZANVPECISA-N -1 1 366.516 2.644 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccncc2)o1 ZINC000363346502 555082624 /nfs/dbraw/zinc/08/26/24/555082624.db2.gz YHQBTONKBSJXID-UHFFFAOYSA-N -1 1 371.418 2.180 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363357468 555085431 /nfs/dbraw/zinc/08/54/31/555085431.db2.gz YXKCWPYNONJEOA-ZDUSSCGKSA-N -1 1 357.458 2.226 20 0 FEADMM Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000363443179 555106755 /nfs/dbraw/zinc/10/67/55/555106755.db2.gz YNDSPVNZMSFZDW-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM O=C(Nc1ccncc1[O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000512009861 561888785 /nfs/dbraw/zinc/88/87/85/561888785.db2.gz OKQYGUXZEDRZLJ-UHFFFAOYSA-N -1 1 368.414 2.435 20 0 FEADMM Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3ncccc3[O-])no2)cn1 ZINC000363730838 555173701 /nfs/dbraw/zinc/17/37/01/555173701.db2.gz BJGRQWJVRMSHJI-ZDUSSCGKSA-N -1 1 368.397 2.328 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(Cl)c1[O-] ZINC000363999771 555230597 /nfs/dbraw/zinc/23/05/97/555230597.db2.gz JLGLMMPGBYSFPJ-UFGOTCBOSA-N -1 1 352.818 2.183 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc(Cl)c1[O-] ZINC000364006411 555232301 /nfs/dbraw/zinc/23/23/01/555232301.db2.gz UIZIXIJNHLAYFJ-ZFWWWQNUSA-N -1 1 355.818 2.464 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)c2cccs2)c1Br ZINC000616012898 555263563 /nfs/dbraw/zinc/26/35/63/555263563.db2.gz QKFMMNTYOPGIRK-SSDOTTSWSA-N -1 1 357.233 2.299 20 0 FEADMM CCC[C@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC000364343761 555295634 /nfs/dbraw/zinc/29/56/34/555295634.db2.gz ZUOAXVKNEZKJBA-ZDUSSCGKSA-N -1 1 366.466 2.194 20 0 FEADMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)C(=O)NCC1CC1 ZINC000616799014 555339817 /nfs/dbraw/zinc/33/98/17/555339817.db2.gz VOJGRUVTTQPVSG-UHFFFAOYSA-N -1 1 369.244 2.365 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(OCCO)cc2)c1 ZINC000512761839 561914568 /nfs/dbraw/zinc/91/45/68/561914568.db2.gz JFXCLRUWNIKROF-UHFFFAOYSA-N -1 1 369.370 2.004 20 0 FEADMM COC(=O)N(C)CCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365180422 555503660 /nfs/dbraw/zinc/50/36/60/555503660.db2.gz BUENCYFFZMPFBZ-UHFFFAOYSA-N -1 1 362.426 2.292 20 0 FEADMM C[C@@H](CO[N-]C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000365608676 555621318 /nfs/dbraw/zinc/62/13/18/555621318.db2.gz JNDKFRVKIAZNML-SJCJKPOMSA-N -1 1 361.458 2.160 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)c2=O)[nH+]1 ZINC000365932023 555704150 /nfs/dbraw/zinc/70/41/50/555704150.db2.gz ZNHIDDPITDWPKX-CYBMUJFWSA-N -1 1 357.410 2.054 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cnc2n1 ZINC000365932023 555704155 /nfs/dbraw/zinc/70/41/55/555704155.db2.gz ZNHIDDPITDWPKX-CYBMUJFWSA-N -1 1 357.410 2.054 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000513812010 561950727 /nfs/dbraw/zinc/95/07/27/561950727.db2.gz CBHBUVHNONWQAO-UHFFFAOYSA-N -1 1 357.771 2.310 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1nc2cccnc2s1 ZINC000513637705 561945542 /nfs/dbraw/zinc/94/55/42/561945542.db2.gz MJCBOKLMCLEBMZ-UHFFFAOYSA-N -1 1 366.399 2.454 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(CC)CC ZINC000513845837 561952363 /nfs/dbraw/zinc/95/23/63/561952363.db2.gz BNAMZEIEDPKSBT-CHWSQXEVSA-N -1 1 359.444 2.328 20 0 FEADMM COC(=O)c1ccc(=NC(=O)N2CCCN(Cc3ccccc3)CC2)[n-]n1 ZINC000619633911 555814737 /nfs/dbraw/zinc/81/47/37/555814737.db2.gz IBDRBSYUGGKTKT-UHFFFAOYSA-N -1 1 369.425 2.003 20 0 FEADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2C1 ZINC000366362321 555821813 /nfs/dbraw/zinc/82/18/13/555821813.db2.gz VTJOOHPTNPJKDM-UHFFFAOYSA-N -1 1 355.419 2.274 20 0 FEADMM CC(C)c1nc(C2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)no1 ZINC000366552155 555873980 /nfs/dbraw/zinc/87/39/80/555873980.db2.gz BTMRWCAURPVRST-UHFFFAOYSA-N -1 1 367.409 2.449 20 0 FEADMM CC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H]1CCCO1 ZINC000366804911 555938030 /nfs/dbraw/zinc/93/80/30/555938030.db2.gz PNKNLXRJRWEFMB-CVEARBPZSA-N -1 1 356.426 2.169 20 0 FEADMM Cn1ccnc1-c1nnc([N-]C(=O)c2csc(-c3cnccn3)n2)s1 ZINC000366847934 555950092 /nfs/dbraw/zinc/95/00/92/555950092.db2.gz ZZJWACJPHBHNGO-UHFFFAOYSA-N -1 1 370.423 2.104 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)COC2CCCC2)n[n-]1 ZINC000514611518 561969879 /nfs/dbraw/zinc/96/98/79/561969879.db2.gz KMAVGMVGMPIEOO-CYBMUJFWSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)COC2CCCC2)[n-]1 ZINC000514611518 561969881 /nfs/dbraw/zinc/96/98/81/561969881.db2.gz KMAVGMVGMPIEOO-CYBMUJFWSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)COC2CCCC2)n1 ZINC000514611518 561969882 /nfs/dbraw/zinc/96/98/82/561969882.db2.gz KMAVGMVGMPIEOO-CYBMUJFWSA-N -1 1 352.435 2.144 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](c4ccnn4C)C3)c[n-]c2[nH+]1 ZINC000367348006 556024425 /nfs/dbraw/zinc/02/44/25/556024425.db2.gz CPIDNCWXCJLURL-CYBMUJFWSA-N -1 1 351.410 2.397 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4ccnn4C)C3)cnc2n1 ZINC000367348006 556024429 /nfs/dbraw/zinc/02/44/29/556024429.db2.gz CPIDNCWXCJLURL-CYBMUJFWSA-N -1 1 351.410 2.397 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CCC(=O)N[C@@H]3C3CC3)nc2)[n-]c(=O)c1C ZINC000367417678 556043369 /nfs/dbraw/zinc/04/33/69/556043369.db2.gz IDMIJLSXNFPBGM-RHSMWYFYSA-N -1 1 353.426 2.330 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3c(F)cc(F)c(F)c3F)ccnc1-2 ZINC000806482089 674378592 /nfs/dbraw/zinc/37/85/92/674378592.db2.gz MAXVNBBVZZQRCZ-UHFFFAOYSA-N -1 1 353.279 2.220 20 0 FEADMM Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000367704129 556119158 /nfs/dbraw/zinc/11/91/58/556119158.db2.gz IMYWXGVOAXMSGD-QGZVFWFLSA-N -1 1 369.421 2.422 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000367708554 556119913 /nfs/dbraw/zinc/11/99/13/556119913.db2.gz UUTJONJMKPGOPT-ZDUSSCGKSA-N -1 1 368.459 2.173 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000367966416 556184581 /nfs/dbraw/zinc/18/45/81/556184581.db2.gz ZGCKXACRPBJBFK-CQSZACIVSA-N -1 1 359.389 2.360 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)o1 ZINC000368233026 556254857 /nfs/dbraw/zinc/25/48/57/556254857.db2.gz VMYGHUXFEJWWQZ-KGLIPLIRSA-N -1 1 365.407 2.265 20 0 FEADMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000515256491 562002605 /nfs/dbraw/zinc/00/26/05/562002605.db2.gz DTNDZEGBJYMNTC-RNFRBKRXSA-N -1 1 358.204 2.429 20 0 FEADMM C[C@H](O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368448387 556312173 /nfs/dbraw/zinc/31/21/73/556312173.db2.gz AAOGJAZUVJURQS-KBXCAEBGSA-N -1 1 370.449 2.427 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccnc(F)c1 ZINC000368504064 556328863 /nfs/dbraw/zinc/32/88/63/556328863.db2.gz SSAAEDZBRMPMLR-GFCCVEGCSA-N -1 1 350.716 2.046 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2csc3ccccc23)o1 ZINC000515426869 562010318 /nfs/dbraw/zinc/01/03/18/562010318.db2.gz ZVWSSKRBDUDQBZ-UHFFFAOYSA-N -1 1 350.421 2.332 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cnn(-c3ccc(F)cc3)n2)s1 ZINC000368736478 556401103 /nfs/dbraw/zinc/40/11/03/556401103.db2.gz SCUSEVAYQOUTON-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM COCC[C@H]1CCCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000368766903 556408154 /nfs/dbraw/zinc/40/81/54/556408154.db2.gz VIZFTXWSSYTVNN-OAHLLOKOSA-N -1 1 360.458 2.259 20 0 FEADMM CCc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000369145355 556516374 /nfs/dbraw/zinc/51/63/74/556516374.db2.gz RAEXHDXLWXRQIE-CYBMUJFWSA-N -1 1 352.398 2.437 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](SCC)C(C)C)CC2)n1 ZINC000369363057 556580226 /nfs/dbraw/zinc/58/02/26/556580226.db2.gz OIQADCPVTXUESG-CYBMUJFWSA-N -1 1 368.503 2.465 20 0 FEADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000370020250 556759580 /nfs/dbraw/zinc/75/95/80/556759580.db2.gz QPYIKVPLJIDCML-NSHDSACASA-N -1 1 361.423 2.475 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000370052985 556768010 /nfs/dbraw/zinc/76/80/10/556768010.db2.gz LCKLEZVFMRRYHU-ZDUSSCGKSA-N -1 1 367.427 2.200 20 0 FEADMM CC[C@H](C)[C@@H](O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370595564 556917612 /nfs/dbraw/zinc/91/76/12/556917612.db2.gz WZEDMEFVADYGTO-LRDDRELGSA-N -1 1 358.442 2.008 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370852846 556990927 /nfs/dbraw/zinc/99/09/27/556990927.db2.gz PLEFXXJHMPLYAE-RNCFNFMXSA-N -1 1 370.240 2.285 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2cccnc2)no1 ZINC000517044490 562073160 /nfs/dbraw/zinc/07/31/60/562073160.db2.gz DDKJYXOBSRPXHC-JTQLQIEISA-N -1 1 350.425 2.156 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2)C[C@H]1c1ccccc1 ZINC000517395159 562088594 /nfs/dbraw/zinc/08/85/94/562088594.db2.gz CICIWZIWFRHLDH-IPMKNSEASA-N -1 1 350.418 2.028 20 0 FEADMM O=C(N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc([O-])cc1F ZINC000371571954 557225860 /nfs/dbraw/zinc/22/58/60/557225860.db2.gz QKSOKUMZQPLJMJ-AWEZNQCLSA-N -1 1 366.396 2.458 20 0 FEADMM O=C(NCCn1cccn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000517890078 562100049 /nfs/dbraw/zinc/10/00/49/562100049.db2.gz VHXGMIVYGMMNGK-UHFFFAOYSA-N -1 1 370.434 2.114 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@]1(C)CCCO1 ZINC000371900864 557324904 /nfs/dbraw/zinc/32/49/04/557324904.db2.gz IEDJGAJSUHHKOU-LJQANCHMSA-N -1 1 356.426 2.171 20 0 FEADMM O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000372170062 557398884 /nfs/dbraw/zinc/39/88/84/557398884.db2.gz QXLVZGUDPOBYSN-JTQLQIEISA-N -1 1 361.711 2.086 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](c3cccs3)C[C@H]2C)co1 ZINC000372307662 557435835 /nfs/dbraw/zinc/43/58/35/557435835.db2.gz LZPHDHQICVANIR-GHMZBOCLSA-N -1 1 354.453 2.267 20 0 FEADMM CCc1nc(CN(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000519081780 562124579 /nfs/dbraw/zinc/12/45/79/562124579.db2.gz HMLJVIOXUOOOLB-UHFFFAOYSA-N -1 1 359.455 2.272 20 0 FEADMM Cc1cc(C2(C(=O)N=c3[nH][n-]c(C)c3Br)CCOCC2)on1 ZINC000627669694 557470064 /nfs/dbraw/zinc/47/00/64/557470064.db2.gz QKERVIWQHOUBIM-UHFFFAOYSA-N -1 1 369.219 2.464 20 0 FEADMM COc1cc2ncc(C(=O)N=c3[nH][nH]cc3C3CC3)c([O-])c2c(OC)c1 ZINC000627910764 557540276 /nfs/dbraw/zinc/54/02/76/557540276.db2.gz PRVCIJSUXOJDND-UHFFFAOYSA-N -1 1 354.366 2.398 20 0 FEADMM Cc1ccc([C@]2(C)NC(=O)N(CCC(=O)c3ccc([O-])cc3O)C2=O)cc1 ZINC000519652315 562138808 /nfs/dbraw/zinc/13/88/08/562138808.db2.gz QQOYOZKXIBAYNJ-FQEVSTJZSA-N -1 1 368.389 2.446 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)s[n-]1 ZINC000519693932 562140348 /nfs/dbraw/zinc/14/03/48/562140348.db2.gz CHOWAUPGFSMIFV-UHFFFAOYSA-N -1 1 368.875 2.279 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)C3CCCC3)CC2)n1 ZINC000373097117 557627683 /nfs/dbraw/zinc/62/76/83/557627683.db2.gz ZYAFSRIATAZULX-GFCCVEGCSA-N -1 1 363.462 2.449 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1Cl ZINC000519876322 562147361 /nfs/dbraw/zinc/14/73/61/562147361.db2.gz ULGSLCKFMYISSH-UHFFFAOYSA-N -1 1 374.871 2.238 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000373317587 557671040 /nfs/dbraw/zinc/67/10/40/557671040.db2.gz JXHSBCZUOGWMCL-DVVUODLYSA-N -1 1 351.332 2.127 20 0 FEADMM O=C([C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1)N1CCCCC1 ZINC000373860597 557775245 /nfs/dbraw/zinc/77/52/45/557775245.db2.gz UDDLWAZMEGJMAG-OLZOCXBDSA-N -1 1 372.437 2.424 20 0 FEADMM O=C([C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1)N1CCCCC1 ZINC000373862917 557775759 /nfs/dbraw/zinc/77/57/59/557775759.db2.gz NGONQDQDDVUVMR-OCCSQVGLSA-N -1 1 372.437 2.424 20 0 FEADMM CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000520627028 562160558 /nfs/dbraw/zinc/16/05/58/562160558.db2.gz DIKIHXQSCQNDKM-UHFFFAOYSA-N -1 1 369.424 2.307 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[C@]4(C(=O)[O-])C3)n[nH]2)cc1 ZINC000374115567 557826156 /nfs/dbraw/zinc/82/61/56/557826156.db2.gz SDCMDILYAKVLSE-YJYMSZOUSA-N -1 1 355.394 2.412 20 0 FEADMM O=C(NCC1CCOCC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000374432211 557883476 /nfs/dbraw/zinc/88/34/76/557883476.db2.gz VJZUDDOAQBMRAA-HNNXBMFYSA-N -1 1 366.845 2.193 20 0 FEADMM CC[C@@]1(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCN(C(=O)OC(C)(C)C)C1 ZINC000374651992 557912122 /nfs/dbraw/zinc/91/21/22/557912122.db2.gz DMIZCPOLUBRUEP-HBEGMLAUSA-N -1 1 373.457 2.318 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)s1 ZINC000374892280 557946899 /nfs/dbraw/zinc/94/68/99/557946899.db2.gz DSUCXTADNAIDTJ-UHFFFAOYSA-N -1 1 355.832 2.486 20 0 FEADMM COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c1 ZINC000374994324 557961092 /nfs/dbraw/zinc/96/10/92/557961092.db2.gz KWJPQDBTZLGUBC-UHFFFAOYSA-N -1 1 355.325 2.135 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000375009040 557963385 /nfs/dbraw/zinc/96/33/85/557963385.db2.gz SXDLLKCATHXOFC-CQSZACIVSA-N -1 1 358.398 2.371 20 0 FEADMM Cc1cc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n(C)n1 ZINC000375226222 557994874 /nfs/dbraw/zinc/99/48/74/557994874.db2.gz HKQFFMUZGBJARY-UHFFFAOYSA-N -1 1 356.426 2.239 20 0 FEADMM CC1(CN2CCOCC2)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000375240269 557997193 /nfs/dbraw/zinc/99/71/93/557997193.db2.gz WURCAICSDKTTNG-UHFFFAOYSA-N -1 1 372.387 2.384 20 0 FEADMM Cc1cc(S(=O)(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc(C(=O)[O-])c1Cl ZINC000375575679 558051215 /nfs/dbraw/zinc/05/12/15/558051215.db2.gz AEHWJEYDPSVREO-RISCZKNCSA-N -1 1 372.874 2.061 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Cl)c1[O-] ZINC000376304291 558155144 /nfs/dbraw/zinc/15/51/44/558155144.db2.gz DIPLWVJISJQWML-QWHCGFSZSA-N -1 1 354.834 2.037 20 0 FEADMM Cc1nnc2n1CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000376327472 558158508 /nfs/dbraw/zinc/15/85/08/558158508.db2.gz JQBJCTVWONXJQQ-SNVBAGLBSA-N -1 1 362.789 2.332 20 0 FEADMM COc1ccc(CCC(=O)N2CCN(Cc3ncccc3[O-])CC2)cc1 ZINC000521685589 562182148 /nfs/dbraw/zinc/18/21/48/562182148.db2.gz IHHXWGGQJUYHDI-UHFFFAOYSA-N -1 1 355.438 2.073 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)COc2c(C)cccc2C)o1 ZINC000521689721 562182316 /nfs/dbraw/zinc/18/23/16/562182316.db2.gz JOANSIZEGUKUSO-CYBMUJFWSA-N -1 1 367.423 2.429 20 0 FEADMM O=C(N=c1nc(-c2c(F)cccc2F)[nH][n-]1)c1cccc(-n2cccn2)n1 ZINC000376519722 558184747 /nfs/dbraw/zinc/18/47/47/558184747.db2.gz SANVUNWEOMBDGV-UHFFFAOYSA-N -1 1 367.319 2.583 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)ccc1C ZINC000376549390 558189029 /nfs/dbraw/zinc/18/90/29/558189029.db2.gz XRMJUXVKCAWIGJ-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@](C)(c4ccccc4)C3)ccnc1-2 ZINC000376606088 558196873 /nfs/dbraw/zinc/19/68/73/558196873.db2.gz KDCJVRQOVPGFDE-ODENVGOISA-N -1 1 351.410 2.121 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCCC23OCCO3)CC1 ZINC000376619908 558198592 /nfs/dbraw/zinc/19/85/92/558198592.db2.gz ZXMDCLFYOXJBGJ-QGZVFWFLSA-N -1 1 359.422 2.357 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)ccnc1-2 ZINC000376631172 558200300 /nfs/dbraw/zinc/20/03/00/558200300.db2.gz UMDWWKZYUQHVFR-ZBBYLCNOSA-N -1 1 351.410 2.241 20 0 FEADMM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000377157141 558277957 /nfs/dbraw/zinc/27/79/57/558277957.db2.gz DFKOWAHRKZNMSZ-UHFFFAOYSA-N -1 1 372.402 2.433 20 0 FEADMM O=C([O-])CS(=O)(=O)CCN1CCC[C@H]1Cc1ccc2ccccc2c1 ZINC000377344061 558320229 /nfs/dbraw/zinc/32/02/29/558320229.db2.gz GSPMPYINTVQFQV-SFHVURJKSA-N -1 1 361.463 2.346 20 0 FEADMM O=S(=O)([N-][C@@H]1COc2ccccc2[C@@H]1O)c1c(F)cccc1Cl ZINC000377346184 558320630 /nfs/dbraw/zinc/32/06/30/558320630.db2.gz MTCYKYTZNIFYOJ-OCCSQVGLSA-N -1 1 357.790 2.252 20 0 FEADMM Cc1ccnc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)n1 ZINC000522357939 562197430 /nfs/dbraw/zinc/19/74/30/562197430.db2.gz OMDZQQIPQJRZHA-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000522438749 562198678 /nfs/dbraw/zinc/19/86/78/562198678.db2.gz MGMKEKVRRGFTQX-CQSZACIVSA-N -1 1 370.453 2.412 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000522438749 562198679 /nfs/dbraw/zinc/19/86/79/562198679.db2.gz MGMKEKVRRGFTQX-CQSZACIVSA-N -1 1 370.453 2.412 20 0 FEADMM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000377686332 558397065 /nfs/dbraw/zinc/39/70/65/558397065.db2.gz AAOMJRUPZUNJPL-UKRRQHHQSA-N -1 1 374.514 2.918 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccc1-n1cccn1 ZINC000377973070 558455544 /nfs/dbraw/zinc/45/55/44/558455544.db2.gz ZFXUYRYNECJISM-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM Cc1cccnc1OC1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000378062340 558472243 /nfs/dbraw/zinc/47/22/43/558472243.db2.gz UPNBMHHTEHHCAS-UHFFFAOYSA-N -1 1 364.405 2.310 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCCC[C@@H]1Cn1ccnn1 ZINC000378617329 558594633 /nfs/dbraw/zinc/59/46/33/558594633.db2.gz ALIRMNIDMTWHAR-GFCCVEGCSA-N -1 1 365.231 2.441 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cs1 ZINC000390014644 558610729 /nfs/dbraw/zinc/61/07/29/558610729.db2.gz PRHIOSUVZMSSKE-UHFFFAOYSA-N -1 1 355.393 2.408 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1NCCc2ccccc21 ZINC000392259805 558616898 /nfs/dbraw/zinc/61/68/98/558616898.db2.gz QEGSZOUAWDZLAS-OAHLLOKOSA-N -1 1 354.435 2.242 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)cc1C(=O)[O-] ZINC000523536128 562214889 /nfs/dbraw/zinc/21/48/89/562214889.db2.gz FVLUPDFIFBCHSW-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM C[C@H](CCO)CCNC(=O)c1cc(I)ccc1[O-] ZINC000397868037 558625662 /nfs/dbraw/zinc/62/56/62/558625662.db2.gz HYAUZWRHBOTFJB-VIFPVBQESA-N -1 1 363.195 2.135 20 0 FEADMM CN(C(=O)c1ccc(I)c([O-])c1)[C@@H]1CCCOC1 ZINC000401403726 558629849 /nfs/dbraw/zinc/62/98/49/558629849.db2.gz QGKGKZYTIPPNMF-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnn(Cc2ccccc2Cl)c1 ZINC000524039305 562223320 /nfs/dbraw/zinc/22/33/20/562223320.db2.gz NKTRPGLEXYBQEU-UHFFFAOYSA-N -1 1 371.832 2.297 20 0 FEADMM COc1cc(C(=O)N2CCOCC3(CCOCC3)C2)cc(Cl)c1[O-] ZINC000408432227 558676386 /nfs/dbraw/zinc/67/63/86/558676386.db2.gz MFUAYBMCTCVZFE-UHFFFAOYSA-N -1 1 355.818 2.323 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000410284976 558749965 /nfs/dbraw/zinc/74/99/65/558749965.db2.gz XFFXMWPXBAHWHU-UHFFFAOYSA-N -1 1 355.423 2.762 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000410283986 558749970 /nfs/dbraw/zinc/74/99/70/558749970.db2.gz UQMLIVWVOJJLDQ-UHFFFAOYSA-N -1 1 359.773 2.638 20 0 FEADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000410417811 558756290 /nfs/dbraw/zinc/75/62/90/558756290.db2.gz LPFHDJGKBAJOEU-UHFFFAOYSA-N -1 1 370.434 2.295 20 0 FEADMM CCCCOCCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000524896239 562237235 /nfs/dbraw/zinc/23/72/35/562237235.db2.gz NAJFMMPWTMRCHE-UHFFFAOYSA-N -1 1 359.448 2.005 20 0 FEADMM Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc21 ZINC000525007338 562239294 /nfs/dbraw/zinc/23/92/94/562239294.db2.gz AUSRJSBIDUYEFD-UHFFFAOYSA-N -1 1 358.297 2.350 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1 ZINC000525016552 562239346 /nfs/dbraw/zinc/23/93/46/562239346.db2.gz ZGVVWBBHKVSXPS-UHFFFAOYSA-N -1 1 368.798 2.026 20 0 FEADMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000411293686 558870012 /nfs/dbraw/zinc/87/00/12/558870012.db2.gz MEMQAYNXBNFABO-SNVBAGLBSA-N -1 1 363.443 2.341 20 0 FEADMM CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1 ZINC000526036223 562264746 /nfs/dbraw/zinc/26/47/46/562264746.db2.gz NVNIQOKJTUHCKE-UHFFFAOYSA-N -1 1 371.828 2.265 20 0 FEADMM CO[C@@](C)([C@@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000413966764 559143937 /nfs/dbraw/zinc/14/39/37/559143937.db2.gz ZVYAMKTWHCNGMO-DIFFPNOSSA-N -1 1 353.488 2.465 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)ccc1Cl ZINC000414376758 559159574 /nfs/dbraw/zinc/15/95/74/559159574.db2.gz ANFXPCWSKUNXOG-UHFFFAOYSA-N -1 1 372.834 2.095 20 0 FEADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccnc(OC)c2)cc1 ZINC000414448930 559164503 /nfs/dbraw/zinc/16/45/03/559164503.db2.gz ADVQRUYJLCQXHS-UHFFFAOYSA-N -1 1 352.412 2.306 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1 ZINC000414452165 559164658 /nfs/dbraw/zinc/16/46/58/559164658.db2.gz LTAVMJJUEHBKSO-UHFFFAOYSA-N -1 1 350.396 2.051 20 0 FEADMM COCCS(=O)(=O)c1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000414635341 559176508 /nfs/dbraw/zinc/17/65/08/559176508.db2.gz GICCCZVGSUQZAO-UHFFFAOYSA-N -1 1 363.435 2.095 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2cccc(OC(F)(F)F)c2)C1=O ZINC000414646937 559176897 /nfs/dbraw/zinc/17/68/97/559176897.db2.gz BHHIHOUTEYLJPP-UONOGXRCSA-N -1 1 374.359 2.385 20 0 FEADMM CC(=O)NCCN(Cc1cn(-c2ccccc2)nc1C(C)C)[C@@H](C)C(=O)[O-] ZINC000414674074 559178904 /nfs/dbraw/zinc/17/89/04/559178904.db2.gz FAGGOKCPQUXOOT-HNNXBMFYSA-N -1 1 372.469 2.407 20 0 FEADMM CCOC(=O)c1c[nH]c(NC(=O)c2sc([C@@H]3CCCOC3)nc2C)n1 ZINC000415648379 559257901 /nfs/dbraw/zinc/25/79/01/559257901.db2.gz OHPUHIKFDDAPAE-SNVBAGLBSA-N -1 1 364.427 2.498 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc([C@@H]3CCCOC3)nc2C)n1 ZINC000415648379 559257902 /nfs/dbraw/zinc/25/79/02/559257902.db2.gz OHPUHIKFDDAPAE-SNVBAGLBSA-N -1 1 364.427 2.498 20 0 FEADMM COc1ccc(NC(=O)c2nc3c(s2)CCC3)cc1[N-]S(C)(=O)=O ZINC000416132260 559293298 /nfs/dbraw/zinc/29/32/98/559293298.db2.gz GVQILIFGCNPOJS-UHFFFAOYSA-N -1 1 367.452 2.264 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000416131610 559293344 /nfs/dbraw/zinc/29/33/44/559293344.db2.gz JUJYNUXTUFLLJG-UHFFFAOYSA-N -1 1 357.288 2.187 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000416161346 559295384 /nfs/dbraw/zinc/29/53/84/559295384.db2.gz QQNCVJAIECBCSC-MRVPVSSYSA-N -1 1 371.315 2.276 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000416194489 559297615 /nfs/dbraw/zinc/29/76/15/559297615.db2.gz TXOIBYQWCNODML-IUCAKERBSA-N -1 1 364.261 2.471 20 0 FEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@H]2C ZINC000416208596 559298408 /nfs/dbraw/zinc/29/84/08/559298408.db2.gz YITLYKANROITPC-UWVGGRQHSA-N -1 1 359.382 2.053 20 0 FEADMM CCc1ccc([C@H]2CCCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C2)cc1 ZINC000416247815 559300987 /nfs/dbraw/zinc/30/09/87/559300987.db2.gz YAAAUHYROMUZFI-AWEZNQCLSA-N -1 1 357.410 2.479 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CC(C)(C)CC3)co1 ZINC000416362037 559307556 /nfs/dbraw/zinc/30/75/56/559307556.db2.gz RJMNHFVTIBXWHH-UHFFFAOYSA-N -1 1 369.468 2.411 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1c(C(F)F)c(C)nn1C)c1ccc(C)o1 ZINC000416421111 559311746 /nfs/dbraw/zinc/31/17/46/559311746.db2.gz YZNANOYDTAFLIN-SNVBAGLBSA-N -1 1 363.386 2.234 20 0 FEADMM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416506180 559318482 /nfs/dbraw/zinc/31/84/82/559318482.db2.gz HJQDWBQTXACIDG-JTQLQIEISA-N -1 1 366.480 2.300 20 0 FEADMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1C ZINC000416518921 559319413 /nfs/dbraw/zinc/31/94/13/559319413.db2.gz UWJIEWGXMWCEBP-HNNXBMFYSA-N -1 1 355.406 2.464 20 0 FEADMM CCOC[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417609827 559369290 /nfs/dbraw/zinc/36/92/90/559369290.db2.gz ROIQGOADHRMOHN-NSHDSACASA-N -1 1 367.158 2.010 20 0 FEADMM Cc1cc(CNCc2ccccc2OCC(=O)N(C)C)ccc1C(=O)[O-] ZINC000417668473 559371529 /nfs/dbraw/zinc/37/15/29/559371529.db2.gz KKXCPJMDVVRCDZ-UHFFFAOYSA-N -1 1 356.422 2.450 20 0 FEADMM C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000420152709 559474945 /nfs/dbraw/zinc/47/49/45/559474945.db2.gz PKVFTTKIXDSGPV-XXHMAFKTSA-N -1 1 368.433 2.180 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC)c1ccco1 ZINC000420676524 559497343 /nfs/dbraw/zinc/49/73/43/559497343.db2.gz QLPIQSLCOLPCHS-CVEARBPZSA-N -1 1 353.440 2.144 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1ccccc1 ZINC000420681060 559497545 /nfs/dbraw/zinc/49/75/45/559497545.db2.gz YMUVGBUNDAKRMK-JKSUJKDBSA-N -1 1 357.472 2.271 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)o1 ZINC000420694902 559498575 /nfs/dbraw/zinc/49/85/75/559498575.db2.gz WKXKBRHUHPBHPC-UHFFFAOYSA-N -1 1 350.318 2.456 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccnc1-c1cnn(C)c1 ZINC000421145296 559526610 /nfs/dbraw/zinc/52/66/10/559526610.db2.gz CXOOHNRTUSHDRQ-CQSZACIVSA-N -1 1 352.460 2.285 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000421156741 559527355 /nfs/dbraw/zinc/52/73/55/559527355.db2.gz PRAFIBOGEUMEIX-AWEZNQCLSA-N -1 1 359.398 2.148 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(C)c1 ZINC000421157726 559527494 /nfs/dbraw/zinc/52/74/94/559527494.db2.gz RCODCFWCLBQEAC-HNNXBMFYSA-N -1 1 356.488 2.500 20 0 FEADMM Cn1nccc1[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000424629523 559671744 /nfs/dbraw/zinc/67/17/44/559671744.db2.gz XWXSOARSUHWRJC-AWEZNQCLSA-N -1 1 351.790 2.150 20 0 FEADMM CC[C@@H](Cc1ccccc1C)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000424707699 559674229 /nfs/dbraw/zinc/67/42/29/559674229.db2.gz CWSXLUIAOUQLPY-AWEZNQCLSA-N -1 1 359.499 2.346 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c(F)c1 ZINC000425168289 559689317 /nfs/dbraw/zinc/68/93/17/559689317.db2.gz LOJPSJOEUBPVKJ-LBPRGKRZSA-N -1 1 361.410 2.280 20 0 FEADMM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1ccccc1SC ZINC000425238761 559692925 /nfs/dbraw/zinc/69/29/25/559692925.db2.gz VKJQQDVRQQMKIW-UHFFFAOYSA-N -1 1 370.452 2.397 20 0 FEADMM CC(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425308750 559695896 /nfs/dbraw/zinc/69/58/96/559695896.db2.gz VRLROOZNCLIBFW-CYBMUJFWSA-N -1 1 358.398 2.390 20 0 FEADMM Cc1nc([C@@H]2CCCO2)sc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425320837 559696494 /nfs/dbraw/zinc/69/64/94/559696494.db2.gz LOUCGGMTCYQYFB-NSHDSACASA-N -1 1 364.427 2.411 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)cnn1C ZINC000427248235 559751430 /nfs/dbraw/zinc/75/14/30/559751430.db2.gz FVZRHXFGELLQPL-OAQYLSRUSA-N -1 1 361.876 2.061 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1nc(Cc2ccccc2)no1 ZINC000427268414 559751756 /nfs/dbraw/zinc/75/17/56/559751756.db2.gz XHVLGLNASQQNCA-LLVKDONJSA-N -1 1 362.386 2.234 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)o1 ZINC000427319430 559753117 /nfs/dbraw/zinc/75/31/17/559753117.db2.gz IFXBYDOQQVTCJF-UHFFFAOYSA-N -1 1 357.315 2.094 20 0 FEADMM CN1CCO[C@@H]([C@@H](NC(=O)c2ncccc2[O-])c2ccc(Cl)cc2)C1 ZINC000427553308 559757848 /nfs/dbraw/zinc/75/78/48/559757848.db2.gz NSQHVYWANRGSAW-CVEARBPZSA-N -1 1 361.829 2.242 20 0 FEADMM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000427622747 559759069 /nfs/dbraw/zinc/75/90/69/559759069.db2.gz SUPCREVLYLMJTI-GOSISDBHSA-N -1 1 360.797 2.391 20 0 FEADMM CC(C)CN1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@@H](C)C1=O ZINC000428580132 559778890 /nfs/dbraw/zinc/77/88/90/559778890.db2.gz JYOOOPDZPIWRDV-NSHDSACASA-N -1 1 369.259 2.484 20 0 FEADMM CN(CCCC(=O)[O-])CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000430671672 559826025 /nfs/dbraw/zinc/82/60/25/559826025.db2.gz QVWTXCUAFOQZDS-UHFFFAOYSA-N -1 1 359.426 2.081 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000430988209 559832011 /nfs/dbraw/zinc/83/20/11/559832011.db2.gz NDSLHIKCTYCJCI-UHFFFAOYSA-N -1 1 351.428 2.274 20 0 FEADMM COc1cc(NC(=O)C2Cc3ccccc3C2)ccc1[N-]S(C)(=O)=O ZINC000431500636 559840323 /nfs/dbraw/zinc/84/03/23/559840323.db2.gz SJHNGRDCIBHGSK-UHFFFAOYSA-N -1 1 360.435 2.420 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4nccnc4c3)ccc2[nH]1 ZINC000432202031 559853998 /nfs/dbraw/zinc/85/39/98/559853998.db2.gz HSWQLBLWKUGHIJ-UHFFFAOYSA-N -1 1 352.375 2.272 20 0 FEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000432647054 559862520 /nfs/dbraw/zinc/86/25/20/559862520.db2.gz DHRCTMGDAUQEQC-UHFFFAOYSA-N -1 1 350.421 2.372 20 0 FEADMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433645465 559885376 /nfs/dbraw/zinc/88/53/76/559885376.db2.gz CAIPXNCHOFKNGO-BYPYZUCNSA-N -1 1 362.654 2.004 20 0 FEADMM CCNc1nc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cs1 ZINC000434592709 559903187 /nfs/dbraw/zinc/90/31/87/559903187.db2.gz ZUVKRFWBWHBVAI-HOCLYGCPSA-N -1 1 359.499 2.735 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434969110 559913458 /nfs/dbraw/zinc/91/34/58/559913458.db2.gz PJVMTKHPYLFFQK-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM O=C(CCCNC(=O)c1cccnc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000435574161 559925340 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COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000436505471 559943741 /nfs/dbraw/zinc/94/37/41/559943741.db2.gz PXBZXNHSZYSYJU-UHFFFAOYSA-N -1 1 363.391 2.143 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)c1 ZINC000436514411 559943954 /nfs/dbraw/zinc/94/39/54/559943954.db2.gz PGSVUCBINALRJI-UHFFFAOYSA-N -1 1 369.381 2.172 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc(F)ccc3[O-])C2=O)c1 ZINC000436569413 559945529 /nfs/dbraw/zinc/94/55/29/559945529.db2.gz DINRQRLUKPMHIT-MRXNPFEDSA-N -1 1 374.368 2.084 20 0 FEADMM COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436598327 559946197 /nfs/dbraw/zinc/94/61/97/559946197.db2.gz SVZKIIQIEOQTOR-GOEBONIOSA-N -1 1 371.389 2.112 20 0 FEADMM O=C(NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436620103 559946901 /nfs/dbraw/zinc/94/69/01/559946901.db2.gz ZNBUPQODDHYSBB-QGZVFWFLSA-N -1 1 370.474 2.309 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnnn2Cc2ccccc2)c1 ZINC000436684359 559948788 /nfs/dbraw/zinc/94/87/88/559948788.db2.gz ZCBDTQOPTXSOMQ-UHFFFAOYSA-N -1 1 352.350 2.071 20 0 FEADMM COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccccc1[O-] ZINC000436717885 559949871 /nfs/dbraw/zinc/94/98/71/559949871.db2.gz HYAWJGCYPDMNFO-UHFFFAOYSA-N -1 1 356.378 2.268 20 0 FEADMM CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000436744466 559950710 /nfs/dbraw/zinc/95/07/10/559950710.db2.gz MNURWQGCCYIWAW-JBEBIEQOSA-N -1 1 367.858 2.208 20 0 FEADMM CCOC(=O)c1sc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)nc1C ZINC000436946966 559957187 /nfs/dbraw/zinc/95/71/87/559957187.db2.gz YKQTZVQMXJETRR-JTQLQIEISA-N -1 1 362.407 2.394 20 0 FEADMM CCn1nccc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436958634 559957492 /nfs/dbraw/zinc/95/74/92/559957492.db2.gz CBULQIIRWRSHMF-UHFFFAOYSA-N -1 1 355.354 2.410 20 0 FEADMM CCO[C@@H]1C[C@](O)(CNC(=O)c2ccc(Br)cc2[O-])C1(C)C ZINC000436993399 559959087 /nfs/dbraw/zinc/95/90/87/559959087.db2.gz BRMLCNLDYFCZHT-CJNGLKHVSA-N -1 1 372.259 2.451 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCS1 ZINC000438067086 559973654 /nfs/dbraw/zinc/97/36/54/559973654.db2.gz TZJUUAUQSHUVPF-GFCCVEGCSA-N -1 1 373.500 2.426 20 0 FEADMM CCSc1nccnc1C(=O)N=c1nc(Cc2cccc(F)c2)[nH][n-]1 ZINC000438379540 559978231 /nfs/dbraw/zinc/97/82/31/559978231.db2.gz PDLGLFWZJWMTFJ-UHFFFAOYSA-N -1 1 358.402 2.689 20 0 FEADMM CCc1nnc(-c2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)o1 ZINC000438720498 559982851 /nfs/dbraw/zinc/98/28/51/559982851.db2.gz XZHYSSWKWUJZFQ-UHFFFAOYSA-N -1 1 362.367 2.126 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c(F)c1 ZINC000438749310 559983027 /nfs/dbraw/zinc/98/30/27/559983027.db2.gz BRCSHFOFNSEGLS-UHFFFAOYSA-N -1 1 367.280 2.084 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)Oc1cccc(F)c1 ZINC000440397764 560010273 /nfs/dbraw/zinc/01/02/73/560010273.db2.gz JQSRUEWIUIXKBJ-LBPRGKRZSA-N -1 1 371.386 2.341 20 0 FEADMM COCc1nc(CNc2nc3[nH][n-]cc-3c(=O)n2)c(-c2ccccc2)s1 ZINC000440664192 560015772 /nfs/dbraw/zinc/01/57/72/560015772.db2.gz OZZJUDUKIRKNHZ-UHFFFAOYSA-N -1 1 368.422 2.314 20 0 FEADMM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000442756208 560056149 /nfs/dbraw/zinc/05/61/49/560056149.db2.gz YYXBIADICUUOPH-LLVKDONJSA-N -1 1 361.398 2.419 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1F ZINC000442838522 560059218 /nfs/dbraw/zinc/05/92/18/560059218.db2.gz LPFMPWQNRCDLFB-LBPRGKRZSA-N -1 1 359.369 2.233 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)o1 ZINC000443493607 560085421 /nfs/dbraw/zinc/08/54/21/560085421.db2.gz RPMSCFVSGVEVAE-STQMWFEESA-N -1 1 359.444 2.066 20 0 FEADMM O=C(NC[C@H]1C[C@H](c2nc[nH]n2)C[C@H]1O)c1c([O-])cc(Cl)cc1Cl ZINC000527561662 562294277 /nfs/dbraw/zinc/29/42/77/562294277.db2.gz ZSIMEMWYETZMHC-VAOFZXAKSA-N -1 1 371.224 2.102 20 0 FEADMM O=C(CCn1cncn1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444355587 560111055 /nfs/dbraw/zinc/11/10/55/560111055.db2.gz AJVQLKITDGJXAE-UHFFFAOYSA-N -1 1 357.414 2.075 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000444647748 560117428 /nfs/dbraw/zinc/11/74/28/560117428.db2.gz FMWWLUWEGREZOU-LLVKDONJSA-N -1 1 361.847 2.094 20 0 FEADMM COc1cc(NC(=O)c2ccc(C(C)=O)o2)ccc1[N-]S(C)(=O)=O ZINC000445267675 560131764 /nfs/dbraw/zinc/13/17/64/560131764.db2.gz ZISXCRQWRCYNJR-UHFFFAOYSA-N -1 1 352.368 2.115 20 0 FEADMM O=c1[nH]c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2[nH]c1=O ZINC000445448764 560132379 /nfs/dbraw/zinc/13/23/79/560132379.db2.gz MFKHQVWRFBSKQT-UHFFFAOYSA-N -1 1 356.725 2.292 20 0 FEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447280409 560159406 /nfs/dbraw/zinc/15/94/06/560159406.db2.gz WTVDEOQXOPHAIV-UHFFFAOYSA-N -1 1 366.464 2.402 20 0 FEADMM CC(C)Cn1ccc2c1cccc2C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000447380833 560161061 /nfs/dbraw/zinc/16/10/61/560161061.db2.gz FLISLMOFEYGZAL-UHFFFAOYSA-N -1 1 361.427 2.071 20 0 FEADMM CC(C)Cn1ccc2c1cccc2C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000447380833 560161062 /nfs/dbraw/zinc/16/10/62/560161062.db2.gz FLISLMOFEYGZAL-UHFFFAOYSA-N -1 1 361.427 2.071 20 0 FEADMM COc1ccc(-c2nnc(S(=O)(=O)CCCOC(C)C)[n-]2)c(OC)c1 ZINC000447495417 560163316 /nfs/dbraw/zinc/16/33/16/560163316.db2.gz JWVWDLDBLDIDEM-UHFFFAOYSA-N -1 1 369.443 2.078 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CCCOC(C)C)n[n-]2)c(OC)c1 ZINC000447495417 560163317 /nfs/dbraw/zinc/16/33/17/560163317.db2.gz JWVWDLDBLDIDEM-UHFFFAOYSA-N -1 1 369.443 2.078 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cc[nH]c3C)c2)n1 ZINC000447681040 560166714 /nfs/dbraw/zinc/16/67/14/560166714.db2.gz VNQUAEMBGCYWQV-UHFFFAOYSA-N -1 1 353.382 2.215 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000527817422 562305091 /nfs/dbraw/zinc/30/50/91/562305091.db2.gz ACISPAGSYROEFH-LMCGPQHNSA-N -1 1 356.444 2.065 20 0 FEADMM Cc1ccccc1Cc1nc(CN2CCC(c3n[n-]c(=O)o3)CC2)no1 ZINC000450920557 560278671 /nfs/dbraw/zinc/27/86/71/560278671.db2.gz YLEAYVQABIDYDG-UHFFFAOYSA-N -1 1 355.398 2.437 20 0 FEADMM C[C@H]1CN(CCC[N-]S(=O)(=O)c2sccc2Cl)C[C@H](C)O1 ZINC000451011628 560282293 /nfs/dbraw/zinc/28/22/93/560282293.db2.gz DJAXEUORLDMGCZ-QWRGUYRKSA-N -1 1 352.909 2.179 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)F)cnc1C(F)F ZINC000451012194 560282376 /nfs/dbraw/zinc/28/23/76/560282376.db2.gz CHBZFXAQSLMDAK-UHFFFAOYSA-N -1 1 362.276 2.037 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccc(Br)cc2)n1)N1CCCC1 ZINC000451055100 560284910 /nfs/dbraw/zinc/28/49/10/560284910.db2.gz KFVQVHAVQKGDGL-UHFFFAOYSA-N -1 1 371.260 2.387 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1OC ZINC000451104607 560287389 /nfs/dbraw/zinc/28/73/89/560287389.db2.gz GGSIDUZNCKTXTK-UHFFFAOYSA-N -1 1 360.435 2.344 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)CCC2CCCC2)(C(=O)OC)C1(C)C ZINC000451435596 560307019 /nfs/dbraw/zinc/30/70/19/560307019.db2.gz JPSDHQFWDPZSKC-YOEHRIQHSA-N -1 1 361.504 2.233 20 0 FEADMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1(C)C ZINC000451447147 560307573 /nfs/dbraw/zinc/30/75/73/560307573.db2.gz AVCLDFUTNFCNEM-PBHICJAKSA-N -1 1 371.430 2.416 20 0 FEADMM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451485296 560309857 /nfs/dbraw/zinc/30/98/57/560309857.db2.gz YKHNFTWQGYZRTG-OTYXRUKQSA-N -1 1 361.872 2.373 20 0 FEADMM CC(C)(C)[C@@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451514867 560311443 /nfs/dbraw/zinc/31/14/43/560311443.db2.gz DVAZRWDNWDQFRN-JSGCOSHPSA-N -1 1 359.419 2.008 20 0 FEADMM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC000451734579 560325615 /nfs/dbraw/zinc/32/56/15/560325615.db2.gz LUXIHUGQMGRHJI-HNNXBMFYSA-N -1 1 356.419 2.353 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)o1 ZINC000451813599 560330281 /nfs/dbraw/zinc/33/02/81/560330281.db2.gz FDJXRTGIOXDJHR-OCCSQVGLSA-N -1 1 359.444 2.186 20 0 FEADMM CC(F)(F)CCS(=O)(=O)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000453020407 560381432 /nfs/dbraw/zinc/38/14/32/560381432.db2.gz FVJCAGRYUJVJQJ-UHFFFAOYSA-N -1 1 359.354 2.062 20 0 FEADMM CC(F)(F)CCS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000453020407 560381433 /nfs/dbraw/zinc/38/14/33/560381433.db2.gz FVJCAGRYUJVJQJ-UHFFFAOYSA-N -1 1 359.354 2.062 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)[C@H](OC)C2CC2)cc1[N-]S(C)(=O)=O ZINC000454894953 560462546 /nfs/dbraw/zinc/46/25/46/560462546.db2.gz NXVWEONGPRMITR-BMIGLBTASA-N -1 1 371.459 2.002 20 0 FEADMM CCn1ccnc1[C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000456390076 560518821 /nfs/dbraw/zinc/51/88/21/560518821.db2.gz OOKCZTVDEWMOBG-LBPRGKRZSA-N -1 1 356.430 2.078 20 0 FEADMM CO[C@H]1C[C@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456663497 560527860 /nfs/dbraw/zinc/52/78/60/560527860.db2.gz VVUBTEHNVINKGM-GJZGRUSLSA-N -1 1 358.442 2.010 20 0 FEADMM O=C(CC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1)N1CCOCC1 ZINC000456794470 560533010 /nfs/dbraw/zinc/53/30/10/560533010.db2.gz PZRBVAGEMDAMTR-UHFFFAOYSA-N -1 1 368.380 2.418 20 0 FEADMM O=C(N[C@H]1CCC[C@H]1CO)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000456793100 560533073 /nfs/dbraw/zinc/53/30/73/560533073.db2.gz BWEMMIZLQPGWTR-YJBOKZPZSA-N -1 1 374.462 2.378 20 0 FEADMM CO[C@H]1C[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000458238312 560610490 /nfs/dbraw/zinc/61/04/90/560610490.db2.gz RTGHCOFFRDZJAA-STQMWFEESA-N -1 1 351.472 2.219 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)CC2)n1 ZINC000459306228 560678743 /nfs/dbraw/zinc/67/87/43/560678743.db2.gz MFXYWFPVBHIXII-RDBSUJKOSA-N -1 1 361.446 2.059 20 0 FEADMM Cc1cnc(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c([O-])c1 ZINC000460183224 560737278 /nfs/dbraw/zinc/73/72/78/560737278.db2.gz BCHJSICMPRXBHU-MRXNPFEDSA-N -1 1 359.401 2.038 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000460276993 560740473 /nfs/dbraw/zinc/74/04/73/560740473.db2.gz OVULKGQNMDGAGI-GFCCVEGCSA-N -1 1 370.327 2.284 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H](CCO)C3CCOCC3)nc2)[n-]c(=O)c1C ZINC000460930076 560756160 /nfs/dbraw/zinc/75/61/60/560756160.db2.gz GUAVKDJRPSGWEB-INIZCTEOSA-N -1 1 358.442 2.451 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2ccccc2F)c1 ZINC000461440480 560771476 /nfs/dbraw/zinc/77/14/76/560771476.db2.gz BYRDOYFKHZFEHN-SNVBAGLBSA-N -1 1 352.387 2.182 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(CSC)cc2)c1 ZINC000461455537 560772298 /nfs/dbraw/zinc/77/22/98/560772298.db2.gz ZRINRQQNWSTGFL-UHFFFAOYSA-N -1 1 366.464 2.416 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000461463146 560772760 /nfs/dbraw/zinc/77/27/60/560772760.db2.gz CCHJCUPFSAQYBT-UHFFFAOYSA-N -1 1 354.815 2.135 20 0 FEADMM CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000461466638 560773070 /nfs/dbraw/zinc/77/30/70/560773070.db2.gz YPGFAZVFXUFUKT-CQSZACIVSA-N -1 1 363.439 2.130 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1 ZINC000462100525 560797146 /nfs/dbraw/zinc/79/71/46/560797146.db2.gz HJODSERGIOZTHJ-QHCPKHFHSA-N -1 1 366.464 2.208 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](C)[C@H](C)COC)c2)n1 ZINC000462318946 560805723 /nfs/dbraw/zinc/80/57/23/560805723.db2.gz GBWJKWNXEUZCIQ-CHWSQXEVSA-N -1 1 374.441 2.183 20 0 FEADMM COC(=O)c1ccc(C(C)C)c(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000467057630 560902504 /nfs/dbraw/zinc/90/25/04/560902504.db2.gz FWEHIFNJZPVJLC-UHFFFAOYSA-N -1 1 371.393 2.066 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)N=c3cc(C)c(C)n[n-]3)CC2)cc1 ZINC000467476716 560910634 /nfs/dbraw/zinc/91/06/34/560910634.db2.gz UOECYCMTDIVGFM-UHFFFAOYSA-N -1 1 369.469 2.842 20 0 FEADMM Cc1oc2ccccc2c1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000468335907 560927363 /nfs/dbraw/zinc/92/73/63/560927363.db2.gz KBOPJVFNRBQRJW-UHFFFAOYSA-N -1 1 360.391 2.275 20 0 FEADMM COC(=O)[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1ccc(F)c(C)c1 ZINC000468890116 560941552 /nfs/dbraw/zinc/94/15/52/560941552.db2.gz HJSQWYYHOVTBQR-CQSZACIVSA-N -1 1 363.414 2.809 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)[C@H]1CCCOC1 ZINC000469014943 560944787 /nfs/dbraw/zinc/94/47/87/560944787.db2.gz RQOIZCKPVWHTKP-DLBZAZTESA-N -1 1 369.483 2.027 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)c(OC)c2)ccc1F ZINC000471598281 561008417 /nfs/dbraw/zinc/00/84/17/561008417.db2.gz JTTMTMSIKMNDQP-UHFFFAOYSA-N -1 1 369.374 2.134 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)ccc1F ZINC000471621369 561008992 /nfs/dbraw/zinc/00/89/92/561008992.db2.gz VZFZNTKQYSBTBP-UHFFFAOYSA-N -1 1 365.386 2.076 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000473200058 561044107 /nfs/dbraw/zinc/04/41/07/561044107.db2.gz VYZIGSJBBPGXGU-UKRRQHHQSA-N -1 1 373.409 2.103 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000473215341 561044548 /nfs/dbraw/zinc/04/45/48/561044548.db2.gz MVYCHPTYWWMUDF-SECBINFHSA-N -1 1 351.790 2.253 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000473258650 561045731 /nfs/dbraw/zinc/04/57/31/561045731.db2.gz SMTXXMNVKMDIRT-UHFFFAOYSA-N -1 1 373.287 2.067 20 0 FEADMM CC[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000473658131 561055347 /nfs/dbraw/zinc/05/53/47/561055347.db2.gz GOIOZFPEXZZEKH-SJLPKXTDSA-N -1 1 355.438 2.197 20 0 FEADMM CCOC1CC(CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000474914334 561085359 /nfs/dbraw/zinc/08/53/59/561085359.db2.gz XPXQEYZNMOITKE-UHFFFAOYSA-N -1 1 372.487 2.291 20 0 FEADMM COc1ccc(C(=O)CCCCCC(=O)NC(C)(C)c2nn[n-]n2)cc1 ZINC000476243363 561114249 /nfs/dbraw/zinc/11/42/49/561114249.db2.gz FSMNBUQCAMRTOC-UHFFFAOYSA-N -1 1 359.430 2.393 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)c1 ZINC000476417254 561118916 /nfs/dbraw/zinc/11/89/16/561118916.db2.gz UEHRUNPHQAEUIA-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM CN(C)c1ncn(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000476446682 561119586 /nfs/dbraw/zinc/11/95/86/561119586.db2.gz HDCFZLCBXLTNRT-UHFFFAOYSA-N -1 1 361.402 2.273 20 0 FEADMM Cc1nc(=N)[n-]c(C)c1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000476504015 561121205 /nfs/dbraw/zinc/12/12/05/561121205.db2.gz AFSKWCYCYJTNLB-UHFFFAOYSA-N -1 1 367.384 2.277 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(Nc2nccc(C)n2)c1)c1nn[n-]n1 ZINC000528798064 562348537 /nfs/dbraw/zinc/34/85/37/562348537.db2.gz JJXKPWWRBVOEIH-AWEZNQCLSA-N -1 1 352.402 2.313 20 0 FEADMM Cc1ccnc(Nc2cccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2)n1 ZINC000528882663 562351427 /nfs/dbraw/zinc/35/14/27/562351427.db2.gz MLBANINAIOGCRU-CQSZACIVSA-N -1 1 364.413 2.062 20 0 FEADMM C[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])[C@H]1C1CC1 ZINC000528899381 562352050 /nfs/dbraw/zinc/35/20/50/562352050.db2.gz APRDFVJSNFNJLE-YMRXKLBXSA-N -1 1 364.467 2.407 20 0 FEADMM O=C([O-])c1ccc(F)c2c1CN(C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC000530169173 562400952 /nfs/dbraw/zinc/40/09/52/562400952.db2.gz RCDMZOHSEOSZAX-CYBMUJFWSA-N -1 1 363.360 2.461 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2cc(-c3ccncc3)n[nH]2)sc1C ZINC000530321422 562406841 /nfs/dbraw/zinc/40/68/41/562406841.db2.gz YYZULAXYDXJKNU-UHFFFAOYSA-N -1 1 363.468 2.066 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000530668162 562419806 /nfs/dbraw/zinc/41/98/06/562419806.db2.gz WYLIQIGMZWZUDC-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCOCC2CC2)c1 ZINC000531198321 562438021 /nfs/dbraw/zinc/43/80/21/562438021.db2.gz MXUMQJDEUSGWLB-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531755529 562455609 /nfs/dbraw/zinc/45/56/09/562455609.db2.gz VQCFBVGMXISXCZ-UHFFFAOYSA-N -1 1 366.414 2.455 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1)c1nn[n-]n1 ZINC000532334703 562474526 /nfs/dbraw/zinc/47/45/26/562474526.db2.gz ODAQXHZXVFNQKS-INIZCTEOSA-N -1 1 353.430 2.202 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCSC2)c1 ZINC000532400925 562476710 /nfs/dbraw/zinc/47/67/10/562476710.db2.gz NDKGESCYSYWBRD-LLVKDONJSA-N -1 1 358.485 2.114 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1[N-]S(=O)(=O)N1CCCCCC1 ZINC000532574669 562482106 /nfs/dbraw/zinc/48/21/06/562482106.db2.gz VJJIZAQKSNFKSL-UHFFFAOYSA-N -1 1 353.423 2.248 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)on1 ZINC000532769934 562488091 /nfs/dbraw/zinc/48/80/91/562488091.db2.gz RACNKKYRPXTHID-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3cc(-c4ccncc4)n[nH]3)cc21 ZINC000532856857 562490670 /nfs/dbraw/zinc/49/06/70/562490670.db2.gz RJTNSHOTUIWOSJ-UHFFFAOYSA-N -1 1 355.423 2.265 20 0 FEADMM COc1cccc(COCCNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000533584859 562513872 /nfs/dbraw/zinc/51/38/72/562513872.db2.gz TZCBVRKTOPNVSU-UHFFFAOYSA-N -1 1 363.439 2.168 20 0 FEADMM COc1cc(NC(=O)CSCC(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000535584915 562562100 /nfs/dbraw/zinc/56/21/00/562562100.db2.gz UPWHOAKRTHORBG-UHFFFAOYSA-N -1 1 372.390 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)co1 ZINC000535908715 562570664 /nfs/dbraw/zinc/57/06/64/562570664.db2.gz AXZRJUYYZADSKT-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1-c1cccc(C)c1 ZINC000537125752 562586052 /nfs/dbraw/zinc/58/60/52/562586052.db2.gz DFOKZLKLAHXQRX-AWEZNQCLSA-N -1 1 351.414 2.022 20 0 FEADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(F)(F)F ZINC000541826020 562620756 /nfs/dbraw/zinc/62/07/56/562620756.db2.gz PZUBDZMQXHWDNI-KOLCDFICSA-N -1 1 355.382 2.100 20 0 FEADMM Cc1cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)ccc1Oc1cccnc1 ZINC000541841098 562621292 /nfs/dbraw/zinc/62/12/92/562621292.db2.gz VRYRUJYJNTWKJD-UHFFFAOYSA-N -1 1 362.349 2.166 20 0 FEADMM CC(C)(C)OC(=O)COCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000601750820 567835351 /nfs/dbraw/zinc/83/53/51/567835351.db2.gz UVXHUFQIROLIKZ-UHFFFAOYSA-N -1 1 374.231 2.243 20 0 FEADMM COc1cc2[n-]cc(C(=O)N(C)CCc3nccs3)c(=O)c2c(OC)c1 ZINC000626254978 568006020 /nfs/dbraw/zinc/00/60/20/568006020.db2.gz HQFRNZWFOKUUKO-UHFFFAOYSA-N -1 1 373.434 2.317 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](C)c2ccccc2C(F)(F)F)n[n-]1 ZINC000603015717 568051878 /nfs/dbraw/zinc/05/18/78/568051878.db2.gz KRKBROJMIDULNG-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000603015717 568051879 /nfs/dbraw/zinc/05/18/79/568051879.db2.gz KRKBROJMIDULNG-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)n[n-]1 ZINC000603152269 568065113 /nfs/dbraw/zinc/06/51/13/568065113.db2.gz CIWXUDSCCYGEBD-PGICJIBASA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)[n-]1 ZINC000603152269 568065114 /nfs/dbraw/zinc/06/51/14/568065114.db2.gz CIWXUDSCCYGEBD-PGICJIBASA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000603152269 568065115 /nfs/dbraw/zinc/06/51/15/568065115.db2.gz CIWXUDSCCYGEBD-PGICJIBASA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)C[C@]2(C)CC2(F)F)Cc2ccccc2C1 ZINC000603279722 568082252 /nfs/dbraw/zinc/08/22/52/568082252.db2.gz UBLUODAXTZQKJG-HNNXBMFYSA-N -1 1 373.421 2.052 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1c(Cl)ccc(F)c1F ZINC000672384409 568083884 /nfs/dbraw/zinc/08/38/84/568083884.db2.gz AAEKSCZYTYDAKE-SNVBAGLBSA-N -1 1 350.818 2.381 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(C)c(C)c1 ZINC000603308594 568084529 /nfs/dbraw/zinc/08/45/29/568084529.db2.gz HDRWNUHCMNKDKQ-HIFRSBDPSA-N -1 1 361.410 2.482 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC000603300451 568086550 /nfs/dbraw/zinc/08/65/50/568086550.db2.gz PYWZADUDJKWNLQ-GXTWGEPZSA-N -1 1 361.410 2.223 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000617949113 568291511 /nfs/dbraw/zinc/29/15/11/568291511.db2.gz HTUBMVBDBRAZIF-ZDUSSCGKSA-N -1 1 368.437 2.265 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000604737109 568358943 /nfs/dbraw/zinc/35/89/43/568358943.db2.gz HTUJOSBEIFQTSO-UHFFFAOYSA-N -1 1 367.448 2.235 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cnn(CC(F)F)c1 ZINC000604879618 568383538 /nfs/dbraw/zinc/38/35/38/568383538.db2.gz PQVUCIHIDLISBN-UHFFFAOYSA-N -1 1 374.351 2.195 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)c1cccnc1 ZINC000737199108 598842540 /nfs/dbraw/zinc/84/25/40/598842540.db2.gz FQPXALQSCBDYFV-LBPRGKRZSA-N -1 1 368.397 2.216 20 0 FEADMM OCCOCCSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000738398834 598850506 /nfs/dbraw/zinc/85/05/06/598850506.db2.gz ZXGRXAZSRZZYMM-UHFFFAOYSA-N -1 1 373.438 2.111 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000737343154 598873370 /nfs/dbraw/zinc/87/33/70/598873370.db2.gz WDTPDXVXQOVMCO-UHFFFAOYSA-N -1 1 367.818 2.242 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000737343154 598873372 /nfs/dbraw/zinc/87/33/72/598873372.db2.gz WDTPDXVXQOVMCO-UHFFFAOYSA-N -1 1 367.818 2.242 20 0 FEADMM O=C(Cn1cnnc1-c1nn[n-]n1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000737987915 598876410 /nfs/dbraw/zinc/87/64/10/598876410.db2.gz CGMRGBUQGOYLSZ-UHFFFAOYSA-N -1 1 373.591 2.057 20 0 FEADMM COCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737007819 598907105 /nfs/dbraw/zinc/90/71/05/598907105.db2.gz YNWLBNGHKDHHFX-UHFFFAOYSA-N -1 1 358.427 2.041 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000736472798 598945499 /nfs/dbraw/zinc/94/54/99/598945499.db2.gz SIWPHWGWEAFKIH-CABCVRRESA-N -1 1 358.446 2.318 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000736472798 598945501 /nfs/dbraw/zinc/94/55/01/598945501.db2.gz SIWPHWGWEAFKIH-CABCVRRESA-N -1 1 358.446 2.318 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000737224820 598947004 /nfs/dbraw/zinc/94/70/04/598947004.db2.gz HNQKQPWVYHEPNW-UHFFFAOYSA-N -1 1 355.423 2.465 20 0 FEADMM COc1ccc(OC)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737109742 598958594 /nfs/dbraw/zinc/95/85/94/598958594.db2.gz MHOANAPHTGCXKV-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM COc1ccc(OC)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737109742 598958595 /nfs/dbraw/zinc/95/85/95/598958595.db2.gz MHOANAPHTGCXKV-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCCOCC1CCOCC1 ZINC000738438051 598973513 /nfs/dbraw/zinc/97/35/13/598973513.db2.gz VNHVZPXFAVZTIQ-UHFFFAOYSA-N -1 1 369.429 2.055 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCCOCC1CCOCC1 ZINC000738438051 598973516 /nfs/dbraw/zinc/97/35/16/598973516.db2.gz VNHVZPXFAVZTIQ-UHFFFAOYSA-N -1 1 369.429 2.055 20 0 FEADMM O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236498 598984698 /nfs/dbraw/zinc/98/46/98/598984698.db2.gz KLDVZZJBDLHKTI-UHFFFAOYSA-N -1 1 373.756 2.043 20 0 FEADMM O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236498 598984699 /nfs/dbraw/zinc/98/46/99/598984699.db2.gz KLDVZZJBDLHKTI-UHFFFAOYSA-N -1 1 373.756 2.043 20 0 FEADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737355391 598992656 /nfs/dbraw/zinc/99/26/56/598992656.db2.gz FWZWZICOBHTDMC-UHFFFAOYSA-N -1 1 365.397 2.417 20 0 FEADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737355391 598992657 /nfs/dbraw/zinc/99/26/57/598992657.db2.gz FWZWZICOBHTDMC-UHFFFAOYSA-N -1 1 365.397 2.417 20 0 FEADMM O=C(Nc1cccc(COCC2CC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738184788 598998221 /nfs/dbraw/zinc/99/82/21/598998221.db2.gz VDKMIGNOXMQTSR-UHFFFAOYSA-N -1 1 350.382 2.441 20 0 FEADMM O=C(Nc1cccc(COCC2CC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738184788 598998222 /nfs/dbraw/zinc/99/82/22/598998222.db2.gz VDKMIGNOXMQTSR-UHFFFAOYSA-N -1 1 350.382 2.441 20 0 FEADMM O=C(NCc1sccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738128757 598999555 /nfs/dbraw/zinc/99/95/55/598999555.db2.gz LSCKTJKIBAHYJN-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM O=C(NCc1sccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738128757 598999556 /nfs/dbraw/zinc/99/95/56/598999556.db2.gz LSCKTJKIBAHYJN-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM C[C@H](OCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736162101 599019571 /nfs/dbraw/zinc/01/95/71/599019571.db2.gz AILBVXMWJYEYIL-ZDUSSCGKSA-N -1 1 352.398 2.159 20 0 FEADMM C[C@H](OCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736162101 599019573 /nfs/dbraw/zinc/01/95/73/599019573.db2.gz AILBVXMWJYEYIL-ZDUSSCGKSA-N -1 1 352.398 2.159 20 0 FEADMM COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737129183 599023738 /nfs/dbraw/zinc/02/37/38/599023738.db2.gz JLSAITPQYPXOKD-OAHLLOKOSA-N -1 1 364.409 2.118 20 0 FEADMM COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737129183 599023740 /nfs/dbraw/zinc/02/37/40/599023740.db2.gz JLSAITPQYPXOKD-OAHLLOKOSA-N -1 1 364.409 2.118 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(Cc1ccccc1)C1CC1 ZINC000738355882 599033884 /nfs/dbraw/zinc/03/38/84/599033884.db2.gz UECADOQILLXGAT-UHFFFAOYSA-N -1 1 373.413 2.359 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(Cc1ccccc1)C1CC1 ZINC000738355882 599033885 /nfs/dbraw/zinc/03/38/85/599033885.db2.gz UECADOQILLXGAT-UHFFFAOYSA-N -1 1 373.413 2.359 20 0 FEADMM CN(C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000821596901 599094050 /nfs/dbraw/zinc/09/40/50/599094050.db2.gz YAUGDYGCJIICGV-GFCCVEGCSA-N -1 1 359.434 2.097 20 0 FEADMM CN(C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000821596901 599094053 /nfs/dbraw/zinc/09/40/53/599094053.db2.gz YAUGDYGCJIICGV-GFCCVEGCSA-N -1 1 359.434 2.097 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc(-c2cccs2)o1 ZINC000736158428 599132320 /nfs/dbraw/zinc/13/23/20/599132320.db2.gz PRHVBVRXQHGSHQ-QMMMGPOBSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc(-c2cccs2)o1 ZINC000736158428 599132322 /nfs/dbraw/zinc/13/23/22/599132322.db2.gz PRHVBVRXQHGSHQ-QMMMGPOBSA-N -1 1 369.366 2.291 20 0 FEADMM CC(C)c1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735923486 599135964 /nfs/dbraw/zinc/13/59/64/599135964.db2.gz VSKJPKRTUZRUML-UHFFFAOYSA-N -1 1 351.366 2.425 20 0 FEADMM CC(C)c1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735923486 599135967 /nfs/dbraw/zinc/13/59/67/599135967.db2.gz VSKJPKRTUZRUML-UHFFFAOYSA-N -1 1 351.366 2.425 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737355630 599137016 /nfs/dbraw/zinc/13/70/16/599137016.db2.gz KOHWBCLFQLFTDU-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737355630 599137017 /nfs/dbraw/zinc/13/70/17/599137017.db2.gz KOHWBCLFQLFTDU-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000821346605 599183176 /nfs/dbraw/zinc/18/31/76/599183176.db2.gz MTGPKKJWMWYWTL-JTQLQIEISA-N -1 1 373.442 2.088 20 0 FEADMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000821346605 599183180 /nfs/dbraw/zinc/18/31/80/599183180.db2.gz MTGPKKJWMWYWTL-JTQLQIEISA-N -1 1 373.442 2.088 20 0 FEADMM Cc1[nH]nc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1C ZINC000737452752 599215410 /nfs/dbraw/zinc/21/54/10/599215410.db2.gz KKRXPMDQLVAUPE-UHFFFAOYSA-N -1 1 352.358 2.151 20 0 FEADMM Cc1[nH]nc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1C ZINC000737452752 599215412 /nfs/dbraw/zinc/21/54/12/599215412.db2.gz KKRXPMDQLVAUPE-UHFFFAOYSA-N -1 1 352.358 2.151 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676233450 597069217 /nfs/dbraw/zinc/06/92/17/597069217.db2.gz PRCMJSGKGXPZTJ-GJZGRUSLSA-N -1 1 373.453 2.327 20 0 FEADMM O=C([O-])CCCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000573203652 597284573 /nfs/dbraw/zinc/28/45/73/597284573.db2.gz PSFAAKABFBWZPB-UHFFFAOYSA-N -1 1 353.850 2.468 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1N1CCN(CC)CC1)C(=O)[O-] ZINC000820443530 597393774 /nfs/dbraw/zinc/39/37/74/597393774.db2.gz IJXXCOQKXYWQBE-YOEHRIQHSA-N -1 1 362.474 2.449 20 0 FEADMM CC(C)C(=O)N1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735685011 599266409 /nfs/dbraw/zinc/26/64/09/599266409.db2.gz YFZBURIDKJWQHO-UHFFFAOYSA-N -1 1 365.441 2.474 20 0 FEADMM CC(C)C(=O)N1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735685011 599266411 /nfs/dbraw/zinc/26/64/11/599266411.db2.gz YFZBURIDKJWQHO-UHFFFAOYSA-N -1 1 365.441 2.474 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000263492546 597665624 /nfs/dbraw/zinc/66/56/24/597665624.db2.gz RSQXIVNUPOMFLJ-HNNXBMFYSA-N -1 1 369.425 2.470 20 0 FEADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807706493 674424658 /nfs/dbraw/zinc/42/46/58/674424658.db2.gz WKDLYMJDOTXWDG-QPHKQPEJSA-N -1 1 350.381 2.104 20 0 FEADMM CC(C)COCCC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807706935 674425045 /nfs/dbraw/zinc/42/50/45/674425045.db2.gz XBWUYPPSSDPJEA-OBJOEFQTSA-N -1 1 352.397 2.353 20 0 FEADMM Cc1cnc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)s1 ZINC000822394821 607328521 /nfs/dbraw/zinc/32/85/21/607328521.db2.gz IHWHQRGNECTBMT-UHFFFAOYSA-N -1 1 368.879 2.068 20 0 FEADMM Cc1cnc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)s1 ZINC000822394821 607328522 /nfs/dbraw/zinc/32/85/22/607328522.db2.gz IHWHQRGNECTBMT-UHFFFAOYSA-N -1 1 368.879 2.068 20 0 FEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCc2ccccc2CC1 ZINC000739624082 600233167 /nfs/dbraw/zinc/23/31/67/600233167.db2.gz HKBQXHXRRXPWBZ-HXUWFJFHSA-N -1 1 364.445 2.125 20 0 FEADMM Clc1cccc(C2(CNc3nccnc3-c3nnn[n-]3)CCOCC2)c1 ZINC000737573901 598346719 /nfs/dbraw/zinc/34/67/19/598346719.db2.gz GNQWLMOCDZSCON-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM Clc1cccc(C2(CNc3nccnc3-c3nn[n-]n3)CCOCC2)c1 ZINC000737573901 598346721 /nfs/dbraw/zinc/34/67/21/598346721.db2.gz GNQWLMOCDZSCON-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM Fc1cc(Br)cc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737644763 598347013 /nfs/dbraw/zinc/34/70/13/598347013.db2.gz LRCLZUWNTWVLGX-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1cc(Br)cc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737644763 598347014 /nfs/dbraw/zinc/34/70/14/598347014.db2.gz LRCLZUWNTWVLGX-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138271 598350612 /nfs/dbraw/zinc/35/06/12/598350612.db2.gz QEHMJWKXXIYJSC-VXGBXAGGSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138271 598350614 /nfs/dbraw/zinc/35/06/14/598350614.db2.gz QEHMJWKXXIYJSC-VXGBXAGGSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820219248 607355175 /nfs/dbraw/zinc/35/51/75/607355175.db2.gz DSBNSVUNOTUBGO-GWCFXTLKSA-N -1 1 355.423 2.392 20 0 FEADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820219248 607355177 /nfs/dbraw/zinc/35/51/77/607355177.db2.gz DSBNSVUNOTUBGO-GWCFXTLKSA-N -1 1 355.423 2.392 20 0 FEADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736961177 598381840 /nfs/dbraw/zinc/38/18/40/598381840.db2.gz JOGNHMQXJBDRPG-NSHDSACASA-N -1 1 359.411 2.375 20 0 FEADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737372158 598406802 /nfs/dbraw/zinc/40/68/02/598406802.db2.gz VOXMPZRUULSKNO-MRXNPFEDSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)c1ncccc1F ZINC000822534948 607354768 /nfs/dbraw/zinc/35/47/68/607354768.db2.gz DFIYYXOLGHLBRC-UHFFFAOYSA-N -1 1 367.344 2.370 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)c1ncccc1F ZINC000822534948 607354771 /nfs/dbraw/zinc/35/47/71/607354771.db2.gz DFIYYXOLGHLBRC-UHFFFAOYSA-N -1 1 367.344 2.370 20 0 FEADMM FC(F)(F)CN1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737627859 598578254 /nfs/dbraw/zinc/57/82/54/598578254.db2.gz RFCSIQFBRZJSPZ-UHFFFAOYSA-N -1 1 361.759 2.354 20 0 FEADMM FC(F)(F)CN1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737627859 598578256 /nfs/dbraw/zinc/57/82/56/598578256.db2.gz RFCSIQFBRZJSPZ-UHFFFAOYSA-N -1 1 361.759 2.354 20 0 FEADMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295944 598661768 /nfs/dbraw/zinc/66/17/68/598661768.db2.gz CHYZCFVLPOPIEO-SNVBAGLBSA-N -1 1 359.386 2.146 20 0 FEADMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1CCC(C)C ZINC000737226643 598677094 /nfs/dbraw/zinc/67/70/94/598677094.db2.gz DHWVBESBWQBUKH-UHFFFAOYSA-N -1 1 368.441 2.376 20 0 FEADMM Cn1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000737612053 598721165 /nfs/dbraw/zinc/72/11/65/598721165.db2.gz WOVUUSHOTUHCIU-UHFFFAOYSA-N -1 1 368.784 2.056 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)ccc1F ZINC000808328309 674453198 /nfs/dbraw/zinc/45/31/98/674453198.db2.gz OEXNXYDJCWVJGZ-NSHDSACASA-N -1 1 355.309 2.232 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCS[C@H](C)C1 ZINC000737547745 598755132 /nfs/dbraw/zinc/75/51/32/598755132.db2.gz KDVAPWCFCUERTG-SNVBAGLBSA-N -1 1 358.427 2.136 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCS[C@H](C)C1 ZINC000737547745 598755133 /nfs/dbraw/zinc/75/51/33/598755133.db2.gz KDVAPWCFCUERTG-SNVBAGLBSA-N -1 1 358.427 2.136 20 0 FEADMM C[C@@H]1SCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@H]1C ZINC000820819799 599344948 /nfs/dbraw/zinc/34/49/48/599344948.db2.gz LCIJWGIEDLUDGX-IUCAKERBSA-N -1 1 373.891 2.035 20 0 FEADMM CSCC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737182149 599382809 /nfs/dbraw/zinc/38/28/09/599382809.db2.gz PTQIQYDFGWQOIQ-SNVBAGLBSA-N -1 1 360.443 2.430 20 0 FEADMM CSCC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737182149 599382811 /nfs/dbraw/zinc/38/28/11/599382811.db2.gz PTQIQYDFGWQOIQ-SNVBAGLBSA-N -1 1 360.443 2.430 20 0 FEADMM CCOc1c(OC)cc(CNc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000736627105 599421893 /nfs/dbraw/zinc/42/18/93/599421893.db2.gz KUVYZFCJDBWBBK-UHFFFAOYSA-N -1 1 356.386 2.290 20 0 FEADMM CCOc1c(OC)cc(CNc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000736627105 599421894 /nfs/dbraw/zinc/42/18/94/599421894.db2.gz KUVYZFCJDBWBBK-UHFFFAOYSA-N -1 1 356.386 2.290 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NCc2c(C)cccc2F)cc1-c1nn[n-]n1 ZINC000821976669 599488715 /nfs/dbraw/zinc/48/87/15/599488715.db2.gz CLDAURLEVBIVTJ-UHFFFAOYSA-N -1 1 374.401 2.067 20 0 FEADMM CNC(=O)C1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821631397 599503300 /nfs/dbraw/zinc/50/33/00/599503300.db2.gz IBLWKCNVTDPHBV-UHFFFAOYSA-N -1 1 351.414 2.132 20 0 FEADMM CNC(=O)C1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821631397 599503304 /nfs/dbraw/zinc/50/33/04/599503304.db2.gz IBLWKCNVTDPHBV-UHFFFAOYSA-N -1 1 351.414 2.132 20 0 FEADMM CC(=O)N1CCC(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000819789425 599527649 /nfs/dbraw/zinc/52/76/49/599527649.db2.gz OEDGEZHMAWWWFR-UHFFFAOYSA-N -1 1 351.414 2.085 20 0 FEADMM CC(=O)N1CCC(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000819789425 599527650 /nfs/dbraw/zinc/52/76/50/599527650.db2.gz OEDGEZHMAWWWFR-UHFFFAOYSA-N -1 1 351.414 2.085 20 0 FEADMM CN(Cc1nc2ccccc2n1C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821618025 599564034 /nfs/dbraw/zinc/56/40/34/599564034.db2.gz MSCCAVWIEJZLDN-UHFFFAOYSA-N -1 1 371.408 2.333 20 0 FEADMM CN(Cc1nc2ccccc2n1C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821618025 599564037 /nfs/dbraw/zinc/56/40/37/599564037.db2.gz MSCCAVWIEJZLDN-UHFFFAOYSA-N -1 1 371.408 2.333 20 0 FEADMM FC(F)(F)[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000822714526 599567430 /nfs/dbraw/zinc/56/74/30/599567430.db2.gz ONHHTTDFXREJLU-ZDUSSCGKSA-N -1 1 350.304 2.182 20 0 FEADMM FC(F)(F)[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000822714526 599567432 /nfs/dbraw/zinc/56/74/32/599567432.db2.gz ONHHTTDFXREJLU-ZDUSSCGKSA-N -1 1 350.304 2.182 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000738348092 599780653 /nfs/dbraw/zinc/78/06/53/599780653.db2.gz XBLPLVUPHUZCGZ-KBPBESRZSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000324977381 599780840 /nfs/dbraw/zinc/78/08/40/599780840.db2.gz QABFTIIAHXTRQS-ZDUSSCGKSA-N -1 1 372.874 2.287 20 0 FEADMM Cc1ccccc1[C@@]1(C)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000738760658 599808853 /nfs/dbraw/zinc/80/88/53/599808853.db2.gz JPNAMPWUYSKAAI-AUUYWEPGSA-N -1 1 359.426 2.049 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C(=O)[O-])s1 ZINC000737681162 599813707 /nfs/dbraw/zinc/81/37/07/599813707.db2.gz QJILYSJQJJHOHF-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000738682669 599815807 /nfs/dbraw/zinc/81/58/07/599815807.db2.gz AJHHAFTUOFUMOO-UHFFFAOYSA-N -1 1 361.442 2.351 20 0 FEADMM Cc1cc(COC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)oc1C(=O)[O-] ZINC000738392427 599884540 /nfs/dbraw/zinc/88/45/40/599884540.db2.gz MNDDQFJYLSCNEN-SNVBAGLBSA-N -1 1 371.349 2.024 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)OCc1cc(C(=O)[O-])co1 ZINC000738875007 599884823 /nfs/dbraw/zinc/88/48/23/599884823.db2.gz PRQLJQIJFQFSGA-UHFFFAOYSA-N -1 1 359.338 2.019 20 0 FEADMM CNC(=O)c1ccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC000737545884 599977867 /nfs/dbraw/zinc/97/78/67/599977867.db2.gz GGXCFISHEGAWMM-OAHLLOKOSA-N -1 1 367.449 2.455 20 0 FEADMM Cc1nc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)sc1C(=O)[O-] ZINC000738864779 599998245 /nfs/dbraw/zinc/99/82/45/599998245.db2.gz CVWOHTGJIIQZIM-SSDOTTSWSA-N -1 1 354.409 2.274 20 0 FEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCn1cc(C)cn1)CC2 ZINC000566015434 600001721 /nfs/dbraw/zinc/00/17/21/600001721.db2.gz WOLLOEMZZPBYFC-MRXNPFEDSA-N -1 1 359.426 2.283 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000737358242 600013028 /nfs/dbraw/zinc/01/30/28/600013028.db2.gz JNSGHLSXSLWHTG-MOQPWLNLSA-N -1 1 351.422 2.371 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000736846643 600054812 /nfs/dbraw/zinc/05/48/12/600054812.db2.gz IFKVUDUAFDBWDM-UHFFFAOYSA-N -1 1 369.424 2.299 20 0 FEADMM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2[nH]nc3c2CCCC3)c(C)c1C(=O)[O-] ZINC000738237275 600087427 /nfs/dbraw/zinc/08/74/27/600087427.db2.gz SRDUEKNDNNXZGX-SNVBAGLBSA-N -1 1 359.382 2.360 20 0 FEADMM CC(C)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C[C@@H](C)O ZINC000736678330 600135560 /nfs/dbraw/zinc/13/55/60/600135560.db2.gz UUSKQGUSOLUGRY-LLVKDONJSA-N -1 1 354.472 2.355 20 0 FEADMM COc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(=O)[O-])cc3)n2)cc1OC ZINC000737911103 600244060 /nfs/dbraw/zinc/24/40/60/600244060.db2.gz AITBMWBIRGPHTB-UHFFFAOYSA-N -1 1 368.349 2.439 20 0 FEADMM Cc1ccnc(NC[C@H]2CCN(Cc3noc(CCCC(=O)[O-])n3)C2)c1 ZINC000738798379 600295887 /nfs/dbraw/zinc/29/58/87/600295887.db2.gz OWRLPXDGCCXFSH-CQSZACIVSA-N -1 1 359.430 2.114 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CCN1CCOC ZINC000736940921 600336619 /nfs/dbraw/zinc/33/66/19/600336619.db2.gz VPOQNRUCTGFNMK-HNNXBMFYSA-N -1 1 350.419 2.351 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[C@@H](c2ccco2)C1 ZINC000739622294 600375851 /nfs/dbraw/zinc/37/58/51/600375851.db2.gz HRVUIJANOIBDRT-SJORKVTESA-N -1 1 354.406 2.107 20 0 FEADMM CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736443090 600394401 /nfs/dbraw/zinc/39/44/01/600394401.db2.gz NQNIKVTUVPGCBP-ZDUSSCGKSA-N -1 1 353.394 2.002 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736443090 600394405 /nfs/dbraw/zinc/39/44/05/600394405.db2.gz NQNIKVTUVPGCBP-ZDUSSCGKSA-N -1 1 353.394 2.002 20 0 FEADMM O=C([O-])CCN(CC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCCO1 ZINC000739717015 600513819 /nfs/dbraw/zinc/51/38/19/600513819.db2.gz DXWAITXRGADSIN-AEFFLSMTSA-N -1 1 360.454 2.136 20 0 FEADMM Cc1oc(NC(=O)CN2CCOc3cc(F)ccc32)c(-c2nn[n-]n2)c1C ZINC000822549030 607453128 /nfs/dbraw/zinc/45/31/28/607453128.db2.gz SHQUSABHQPIBRS-UHFFFAOYSA-N -1 1 372.360 2.053 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736437995 600649126 /nfs/dbraw/zinc/64/91/26/600649126.db2.gz NSINIANWRXLWLC-UHFFFAOYSA-N -1 1 368.499 2.055 20 0 FEADMM Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1C(=O)N(C)C ZINC000738463495 600694628 /nfs/dbraw/zinc/69/46/28/600694628.db2.gz HQQASACBPZKEJH-UHFFFAOYSA-N -1 1 368.436 2.257 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)[nH]c2c1 ZINC000832959233 600730110 /nfs/dbraw/zinc/73/01/10/600730110.db2.gz SLRSSFKGPSZHQK-HNNXBMFYSA-N -1 1 374.422 2.423 20 0 FEADMM O=C([O-])[C@H](N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1F ZINC000833165680 600754310 /nfs/dbraw/zinc/75/43/10/600754310.db2.gz BPCVEXDQZFRSEI-IFXJQAMLSA-N -1 1 372.396 2.221 20 0 FEADMM COc1ccc(Cl)cc1C[C@@H]1CCCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000738014727 600796519 /nfs/dbraw/zinc/79/65/19/600796519.db2.gz YYGKFSYYQKQGPT-OLZOCXBDSA-N -1 1 368.861 2.192 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000828718409 600799364 /nfs/dbraw/zinc/79/93/64/600799364.db2.gz MIHYUCABWSMQLT-LIRRHRJNSA-N -1 1 362.470 2.490 20 0 FEADMM CCCn1c(=O)[nH]nc1S[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829580532 600804464 /nfs/dbraw/zinc/80/44/64/600804464.db2.gz XYCFPMZJWHMXSO-SECBINFHSA-N -1 1 368.440 2.051 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738168759 600912772 /nfs/dbraw/zinc/91/27/72/600912772.db2.gz XCSZMPHMCOCHSY-GFCCVEGCSA-N -1 1 374.418 2.277 20 0 FEADMM CC[C@@H](C)[C@H](NC(=O)CNC1(c2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000828716075 601003089 /nfs/dbraw/zinc/00/30/89/601003089.db2.gz FKQLUORHHBVZEG-DYVFJYSZSA-N -1 1 366.433 2.037 20 0 FEADMM CC(C)N(Cc1ccccc1)C(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC000826951444 601017456 /nfs/dbraw/zinc/01/74/56/601017456.db2.gz ITJOFHISKXLCPX-MRXNPFEDSA-N -1 1 350.484 2.316 20 0 FEADMM C[C@@](NCC(=O)N[C@H](c1nccs1)c1ccccc1)(C(=O)[O-])C1CC1 ZINC000827729281 601033628 /nfs/dbraw/zinc/03/36/28/601033628.db2.gz ZFSFNAHIJQGBQA-YJBOKZPZSA-N -1 1 359.451 2.192 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000832847766 601082816 /nfs/dbraw/zinc/08/28/16/601082816.db2.gz UABCLYZZYZWMTO-UHFFFAOYSA-N -1 1 357.288 2.244 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000832847213 601083230 /nfs/dbraw/zinc/08/32/30/601083230.db2.gz DOHVFINOUNETHH-JTQLQIEISA-N -1 1 371.315 2.116 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000630225415 601090762 /nfs/dbraw/zinc/09/07/62/601090762.db2.gz SYWAJTAPJPSSKY-LLVKDONJSA-N -1 1 355.232 2.070 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000630222265 601092774 /nfs/dbraw/zinc/09/27/74/601092774.db2.gz FUDPRQFHNAAATM-AGIUHOORSA-N -1 1 350.381 2.363 20 0 FEADMM Cc1nc2cc(F)ccc2cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630221667 601095628 /nfs/dbraw/zinc/09/56/28/601095628.db2.gz BFYBJCFSLLOWDU-GFCCVEGCSA-N -1 1 359.401 2.303 20 0 FEADMM Cc1nc(-c2ccco2)ccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630224359 601097584 /nfs/dbraw/zinc/09/75/84/601097584.db2.gz NVLSBKKAYUJJPV-CYBMUJFWSA-N -1 1 357.410 2.271 20 0 FEADMM Cc1c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cnn1-c1ccccc1C ZINC000630224390 601097660 /nfs/dbraw/zinc/09/76/60/601097660.db2.gz PAGHDIZTZXTMLD-HNNXBMFYSA-N -1 1 370.453 2.110 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC[C@H](n3cncn3)C2)c(Cl)c1 ZINC000563279813 601101431 /nfs/dbraw/zinc/10/14/31/601101431.db2.gz ZNLCWMQAZXJFBV-ZDUSSCGKSA-N -1 1 350.806 2.346 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1 ZINC000630222985 601103734 /nfs/dbraw/zinc/10/37/34/601103734.db2.gz IHLGTWRXIPJNAK-LBPRGKRZSA-N -1 1 374.359 2.092 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630222304 601105004 /nfs/dbraw/zinc/10/50/04/601105004.db2.gz GJZOLDMNRBRZSP-VXGBXAGGSA-N -1 1 372.824 2.254 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222302 601105310 /nfs/dbraw/zinc/10/53/10/601105310.db2.gz GJZOLDMNRBRZSP-NWDGAFQWSA-N -1 1 372.824 2.254 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)n[nH]1 ZINC000736300428 601106612 /nfs/dbraw/zinc/10/66/12/601106612.db2.gz XVAIXUYFTUAYSY-ZIAGYGMSSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)[nH]1 ZINC000736300428 601106615 /nfs/dbraw/zinc/10/66/15/601106615.db2.gz XVAIXUYFTUAYSY-ZIAGYGMSSA-N -1 1 362.405 2.441 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000827368526 601123187 /nfs/dbraw/zinc/12/31/87/601123187.db2.gz FCCQYCLBUAJJRS-LLVKDONJSA-N -1 1 370.247 2.462 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000827368927 601127410 /nfs/dbraw/zinc/12/74/10/601127410.db2.gz KVCLAIUAVQXNDQ-CYBMUJFWSA-N -1 1 374.441 2.048 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000827368567 601131236 /nfs/dbraw/zinc/13/12/36/601131236.db2.gz GOOUUKVKHIMEHG-CQSZACIVSA-N -1 1 371.441 2.100 20 0 FEADMM C[C@](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000827729001 601172875 /nfs/dbraw/zinc/17/28/75/601172875.db2.gz WPBXPLFRNUSULH-OAHLLOKOSA-N -1 1 360.332 2.044 20 0 FEADMM CN(CCOc1ccc(Cl)cc1)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000830792047 601174949 /nfs/dbraw/zinc/17/49/49/601174949.db2.gz NYZCJAISHXJASE-QGZVFWFLSA-N -1 1 354.834 2.020 20 0 FEADMM CN(C(=O)CSc1n[nH]c(=S)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830496137 601287186 /nfs/dbraw/zinc/28/71/86/601287186.db2.gz WQLIFAHUJYNJFC-JTQLQIEISA-N -1 1 355.466 2.203 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000825908272 601382437 /nfs/dbraw/zinc/38/24/37/601382437.db2.gz VWZGMDZFSZLUPJ-UHFFFAOYSA-N -1 1 369.786 2.192 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC000755979452 601489127 /nfs/dbraw/zinc/48/91/27/601489127.db2.gz PIAGOKQUUJTUQG-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM C[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1C(=O)[O-] ZINC000235409386 601533430 /nfs/dbraw/zinc/53/34/30/601533430.db2.gz CPTJXALXBLTIMM-HTQZYQBOSA-N -1 1 356.176 2.245 20 0 FEADMM O=C([O-])[C@]1(F)CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000833104689 601555224 /nfs/dbraw/zinc/55/52/24/601555224.db2.gz DUWWOCMPDQZDLU-AWEZNQCLSA-N -1 1 374.294 2.019 20 0 FEADMM CCn1ccnc1CN1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830424285 601630489 /nfs/dbraw/zinc/63/04/89/601630489.db2.gz OIVAMZXHYKXXOA-UHFFFAOYSA-N -1 1 360.433 2.448 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC(OCCCO)CC2)c(Cl)c1 ZINC000833321279 601663499 /nfs/dbraw/zinc/66/34/99/601663499.db2.gz PYSNSKGMNATOQZ-UHFFFAOYSA-N -1 1 357.834 2.280 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000630222410 601687466 /nfs/dbraw/zinc/68/74/66/601687466.db2.gz DTJVDQJHSRZTRO-ZDUSSCGKSA-N -1 1 354.397 2.295 20 0 FEADMM O=C([O-])[C@@]1(NC(=O)c2cc(C3CC3)on2)CCCN(Cc2ccccc2)C1 ZINC000833128435 601728340 /nfs/dbraw/zinc/72/83/40/601728340.db2.gz GFVKSNUNSFQYCV-HXUWFJFHSA-N -1 1 369.421 2.401 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)Nc3nc(CC(=O)[O-])cs3)ccc2O1 ZINC000828082925 601794860 /nfs/dbraw/zinc/79/48/60/601794860.db2.gz YPJVTSWLZBIUFR-UHFFFAOYSA-N -1 1 368.436 2.285 20 0 FEADMM Cc1c(Br)c(C(=O)[O-])nn1CN(C)CCC1CCOCC1 ZINC000832848677 601848776 /nfs/dbraw/zinc/84/87/76/601848776.db2.gz KJCNAHIBIBEPDU-UHFFFAOYSA-N -1 1 360.252 2.358 20 0 FEADMM Cc1ccc(N2C(=O)C[C@H](N3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1Cl ZINC000832936068 601850787 /nfs/dbraw/zinc/85/07/87/601850787.db2.gz WCVBMSSVSFYTJJ-SUMWQHHRSA-N -1 1 350.802 2.077 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CCSC[C@@H]2CC(=O)[O-])C2CC2)cc1 ZINC000832929831 601888473 /nfs/dbraw/zinc/88/84/73/601888473.db2.gz FUUDMOAGRCBRQH-KRWDZBQOSA-N -1 1 362.495 2.378 20 0 FEADMM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000825971729 601923295 /nfs/dbraw/zinc/92/32/95/601923295.db2.gz DXLUUFTUBLWAPR-IUODEOHRSA-N -1 1 354.447 2.065 20 0 FEADMM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000832977789 601923870 /nfs/dbraw/zinc/92/38/70/601923870.db2.gz YPUSXJWUUFNVJZ-RRFJBIMHSA-N -1 1 350.484 2.453 20 0 FEADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000583758105 601937980 /nfs/dbraw/zinc/93/79/80/601937980.db2.gz UBSIESQAKOYKNF-SNVBAGLBSA-N -1 1 354.453 2.287 20 0 FEADMM C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738628896 601951088 /nfs/dbraw/zinc/95/10/88/601951088.db2.gz FFSPPFSZCRXWSA-GHMZBOCLSA-N -1 1 370.247 2.366 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738626310 601959318 /nfs/dbraw/zinc/95/93/18/601959318.db2.gz CEAWSSOYNWTAIX-WDEREUQCSA-N -1 1 370.247 2.366 20 0 FEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2ccc(Cl)nc2)cc1 ZINC000833263161 601978295 /nfs/dbraw/zinc/97/82/95/601978295.db2.gz HRCLOOUEAHWUAK-UHFFFAOYSA-N -1 1 368.842 2.024 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000610253489 601986666 /nfs/dbraw/zinc/98/66/66/601986666.db2.gz KYPLXOSNDAOUGF-UHFFFAOYSA-N -1 1 363.391 2.210 20 0 FEADMM Cc1cccc(-n2nnnc2SCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000826295661 607537892 /nfs/dbraw/zinc/53/78/92/607537892.db2.gz RZLUJHDUCFMVLO-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM Cc1cccc(-n2nnnc2SCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000826295661 607537893 /nfs/dbraw/zinc/53/78/93/607537893.db2.gz RZLUJHDUCFMVLO-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827696181 602007749 /nfs/dbraw/zinc/00/77/49/602007749.db2.gz YVNYBOSGFNORSK-SECBINFHSA-N -1 1 373.390 2.184 20 0 FEADMM O=C([O-])N1CCC(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000740418005 602008000 /nfs/dbraw/zinc/00/80/00/602008000.db2.gz VAFDEHBQBWUBRI-OAHLLOKOSA-N -1 1 364.446 2.106 20 0 FEADMM O=C(c1ccccc1OCc1ccnc(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000826474109 607541718 /nfs/dbraw/zinc/54/17/18/607541718.db2.gz ALUDPSHCZYECHS-UHFFFAOYSA-N -1 1 364.409 2.467 20 0 FEADMM O=C(c1ccccc1OCc1ccnc(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000826474109 607541720 /nfs/dbraw/zinc/54/17/20/607541720.db2.gz ALUDPSHCZYECHS-UHFFFAOYSA-N -1 1 364.409 2.467 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C12CCC2 ZINC000829917851 602058329 /nfs/dbraw/zinc/05/83/29/602058329.db2.gz JPPOURGRIJMUEP-HUUCEWRRSA-N -1 1 352.475 2.170 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1ccsc1 ZINC000739607726 602086722 /nfs/dbraw/zinc/08/67/22/602086722.db2.gz KHLKCYTXKJCNNF-TZMCWYRMSA-N -1 1 354.476 2.040 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccsc1 ZINC000739644062 602086768 /nfs/dbraw/zinc/08/67/68/602086768.db2.gz STKMPGONRZZJST-DZGCQCFKSA-N -1 1 368.503 2.382 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000739407944 602144691 /nfs/dbraw/zinc/14/46/91/602144691.db2.gz NZZKUXGBHBPMLP-GJZGRUSLSA-N -1 1 366.462 2.352 20 0 FEADMM CC(C)(C)NC(=O)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824093646 607546463 /nfs/dbraw/zinc/54/64/63/607546463.db2.gz ITRGTQHUUXVPTM-UHFFFAOYSA-N -1 1 351.414 2.402 20 0 FEADMM CC(C)(C)NC(=O)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824093646 607546465 /nfs/dbraw/zinc/54/64/65/607546465.db2.gz ITRGTQHUUXVPTM-UHFFFAOYSA-N -1 1 351.414 2.402 20 0 FEADMM Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000740181702 602383583 /nfs/dbraw/zinc/38/35/83/602383583.db2.gz QPDSSPILLYXOKJ-MRXNPFEDSA-N -1 1 361.486 2.364 20 0 FEADMM COc1cccc(CNC(=O)[C@@H](C)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000739945844 602384284 /nfs/dbraw/zinc/38/42/84/602384284.db2.gz DQMFNBOKARCLQO-CQSZACIVSA-N -1 1 363.458 2.022 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000739792328 602425703 /nfs/dbraw/zinc/42/57/03/602425703.db2.gz MBHHLJQMAHCGOI-GFCCVEGCSA-N -1 1 360.414 2.149 20 0 FEADMM COc1ccccc1[C@@H](C)NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739962945 602447329 /nfs/dbraw/zinc/44/73/29/602447329.db2.gz WPOGFGWRZISSNU-UONOGXRCSA-N -1 1 363.458 2.241 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739962938 602447384 /nfs/dbraw/zinc/44/73/84/602447384.db2.gz WPOGFGWRZISSNU-KBPBESRZSA-N -1 1 363.458 2.241 20 0 FEADMM CC(C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824249012 607571437 /nfs/dbraw/zinc/57/14/37/607571437.db2.gz GVWSFJHODSYUIB-UHFFFAOYSA-N -1 1 363.365 2.210 20 0 FEADMM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737680439 602531482 /nfs/dbraw/zinc/53/14/82/602531482.db2.gz JYEISQLABJYPGP-QWHCGFSZSA-N -1 1 351.422 2.466 20 0 FEADMM CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824077276 607572688 /nfs/dbraw/zinc/57/26/88/607572688.db2.gz AGOUFBSVVSKWBG-UHFFFAOYSA-N -1 1 355.439 2.499 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000738998072 602592267 /nfs/dbraw/zinc/59/22/67/602592267.db2.gz CYBCAMVCPBXQEO-HUUCEWRRSA-N -1 1 359.470 2.328 20 0 FEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000738928201 602611295 /nfs/dbraw/zinc/61/12/95/602611295.db2.gz ODLGCZWAPIXWRA-KBPBESRZSA-N -1 1 352.435 2.104 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000824641370 607578609 /nfs/dbraw/zinc/57/86/09/607578609.db2.gz VCCQHIYVEQKDTQ-MRVPVSSYSA-N -1 1 353.404 2.107 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000824641370 607578611 /nfs/dbraw/zinc/57/86/11/607578611.db2.gz VCCQHIYVEQKDTQ-MRVPVSSYSA-N -1 1 353.404 2.107 20 0 FEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000824641371 607578668 /nfs/dbraw/zinc/57/86/68/607578668.db2.gz VCCQHIYVEQKDTQ-QMMMGPOBSA-N -1 1 353.404 2.107 20 0 FEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000824641371 607578670 /nfs/dbraw/zinc/57/86/70/607578670.db2.gz VCCQHIYVEQKDTQ-QMMMGPOBSA-N -1 1 353.404 2.107 20 0 FEADMM O=C([O-])NC1CCC(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000740553080 602667030 /nfs/dbraw/zinc/66/70/30/602667030.db2.gz QJEHQQMVAQKTRC-UHFFFAOYSA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])NC1CCC(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000740553080 602667032 /nfs/dbraw/zinc/66/70/32/602667032.db2.gz QJEHQQMVAQKTRC-UHFFFAOYSA-N -1 1 361.377 2.053 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739607764 602704161 /nfs/dbraw/zinc/70/41/61/602704161.db2.gz LLFBSWYAVIMMRW-XJKSGUPXSA-N -1 1 366.437 2.118 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739957462 602763419 /nfs/dbraw/zinc/76/34/19/602763419.db2.gz IAUWCWOBGXCDSQ-YXWQFLTLSA-N -1 1 363.458 2.239 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178949 602777900 /nfs/dbraw/zinc/77/79/00/602777900.db2.gz UERYZWOGXCSHTL-XUJVJEKNSA-N -1 1 353.850 2.323 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739441024 602799743 /nfs/dbraw/zinc/79/97/43/602799743.db2.gz JQFRTUOMCMDLLV-XJKSGUPXSA-N -1 1 351.422 2.152 20 0 FEADMM CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825195902 607587096 /nfs/dbraw/zinc/58/70/96/607587096.db2.gz ZNBDADFZVMKGGT-MFKMUULPSA-N -1 1 353.423 2.253 20 0 FEADMM COC(=O)c1cc(CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c[nH]1 ZINC000809769581 674509143 /nfs/dbraw/zinc/50/91/43/674509143.db2.gz PFXNFUNSZARWFX-KWBADKCTSA-N -1 1 361.364 2.079 20 0 FEADMM O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(Br)cc1[O-] ZINC000558722127 674513005 /nfs/dbraw/zinc/51/30/05/674513005.db2.gz YXOHRDJPPFFMNM-VXGBXAGGSA-N -1 1 353.216 2.038 20 0 FEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000739982090 602890095 /nfs/dbraw/zinc/89/00/95/602890095.db2.gz ZKVLEPGEBOPOQR-QGZVFWFLSA-N -1 1 361.442 2.091 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1)c1ccco1 ZINC000739407355 602935029 /nfs/dbraw/zinc/93/50/29/602935029.db2.gz KHRNHLZJZJYTKS-SOUVJXGZSA-N -1 1 366.462 2.350 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000740078725 602937459 /nfs/dbraw/zinc/93/74/59/602937459.db2.gz CJCMFZDWRRYFMZ-NVXWUHKLSA-N -1 1 360.458 2.122 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739608976 603100980 /nfs/dbraw/zinc/10/09/80/603100980.db2.gz RYUKUIPWEMISTP-GPANFISMSA-N -1 1 366.437 2.306 20 0 FEADMM O=C([O-])N1CCC[C@@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000831811076 603198967 /nfs/dbraw/zinc/19/89/67/603198967.db2.gz ZHYYSBUTWPCOMP-SNVBAGLBSA-N -1 1 353.176 2.406 20 0 FEADMM CN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739735897 603204103 /nfs/dbraw/zinc/20/41/03/603204103.db2.gz GEGMRWMXJGAUHG-GFCCVEGCSA-N -1 1 366.849 2.030 20 0 FEADMM O=S(=O)(NC[C@H]1CCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489905 607614292 /nfs/dbraw/zinc/61/42/92/607614292.db2.gz CZFUMINRPZWINM-GFCCVEGCSA-N -1 1 373.413 2.014 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc(F)c1 ZINC000739600880 603232752 /nfs/dbraw/zinc/23/27/52/603232752.db2.gz BLXRYVWYYHLGJD-FVQBIDKESA-N -1 1 351.422 2.371 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)N(C)C)c1 ZINC000739946387 603232792 /nfs/dbraw/zinc/23/27/92/603232792.db2.gz UBNTVFHKDASICC-ZOBUZTSGSA-N -1 1 363.458 2.241 20 0 FEADMM C[C@@H](NC(=O)CN(C)CCCNC(=O)[O-])c1ccc(Br)cc1 ZINC000738959926 603255584 /nfs/dbraw/zinc/25/55/84/603255584.db2.gz YCJKHAYUQRNMHH-LLVKDONJSA-N -1 1 372.263 2.216 20 0 FEADMM CN(CC(=O)Nc1ccccc1Br)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739627901 603322004 /nfs/dbraw/zinc/32/20/04/603322004.db2.gz HWYJQOQVHXNFJK-NSHDSACASA-N -1 1 370.247 2.319 20 0 FEADMM C[C@@H]1CN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cn2)C[C@@H](C)O1 ZINC000826083189 603538240 /nfs/dbraw/zinc/53/82/40/603538240.db2.gz ZFOIJJVMURGNJI-ZIAGYGMSSA-N -1 1 371.441 2.470 20 0 FEADMM C[C@@H]1CN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cn2)CCO1 ZINC000826081917 603538589 /nfs/dbraw/zinc/53/85/89/603538589.db2.gz FYBKTYCFXRAOCM-CYBMUJFWSA-N -1 1 357.414 2.081 20 0 FEADMM Cc1c(CN2CCSCC2)cccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000829860172 603569481 /nfs/dbraw/zinc/56/94/81/603569481.db2.gz VUQKNQIZMDFQDL-UHFFFAOYSA-N -1 1 363.483 2.482 20 0 FEADMM COc1ccc(C2CCN(CN3CC4(CN(C(=O)[O-])C4)CC3=O)CC2)cc1 ZINC000829332695 603594301 /nfs/dbraw/zinc/59/43/01/603594301.db2.gz TVFQTKOUIVZLMV-UHFFFAOYSA-N -1 1 373.453 2.044 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)N(C)CC(C)(C)CNC(=O)[O-])c1 ZINC000823616255 603629964 /nfs/dbraw/zinc/62/99/64/603629964.db2.gz AHJPWSJJPHIGTA-LBPRGKRZSA-N -1 1 364.446 2.198 20 0 FEADMM CC1(C)CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824803377 607645055 /nfs/dbraw/zinc/64/50/55/607645055.db2.gz UNHVARUVJHOKRS-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM O=S(=O)(N[C@@H]1C[C@H]1C1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488640 607648019 /nfs/dbraw/zinc/64/80/19/607648019.db2.gz VGICKMAJRWEDAN-WCQYABFASA-N -1 1 365.434 2.253 20 0 FEADMM O=S(=O)(N[C@@H]1C[C@H]1C1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488640 607648020 /nfs/dbraw/zinc/64/80/20/607648020.db2.gz VGICKMAJRWEDAN-WCQYABFASA-N -1 1 365.434 2.253 20 0 FEADMM CN(C(=O)[O-])[C@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000827883200 603801470 /nfs/dbraw/zinc/80/14/70/603801470.db2.gz XLUQJSXKEUCFFZ-QWRGUYRKSA-N -1 1 363.241 2.417 20 0 FEADMM CC1(C)CN(C(=O)[O-])CCN1C(=O)c1cccc(Br)c1O ZINC000825725304 603952984 /nfs/dbraw/zinc/95/29/84/603952984.db2.gz ZMXHRNOEKDIFBY-UHFFFAOYSA-N -1 1 357.204 2.369 20 0 FEADMM CC(C)CC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824236528 607668869 /nfs/dbraw/zinc/66/88/69/607668869.db2.gz OWVJSALGFWOLEL-UHFFFAOYSA-N -1 1 353.423 2.110 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000832147316 604057809 /nfs/dbraw/zinc/05/78/09/604057809.db2.gz DYEQXHWCNXDQJY-HNNXBMFYSA-N -1 1 356.357 2.197 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)[C@@H](C)CN(C)C(=O)[O-])N1CCCC1 ZINC000829592005 604064846 /nfs/dbraw/zinc/06/48/46/604064846.db2.gz KJOPAZCYOTWKTN-HOCLYGCPSA-N -1 1 363.458 2.194 20 0 FEADMM C[C@H](CN(C)C(=O)[O-])C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000824847881 604105748 /nfs/dbraw/zinc/10/57/48/604105748.db2.gz LAPHNQZNUOFXJA-CYBMUJFWSA-N -1 1 351.422 2.152 20 0 FEADMM CN(Cc1ccc(Cl)nc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828355199 604203829 /nfs/dbraw/zinc/20/38/29/604203829.db2.gz JMBWVPCLPRFQFW-HOTGVXAUSA-N -1 1 363.845 2.407 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000825252505 604246560 /nfs/dbraw/zinc/24/65/60/604246560.db2.gz FBVKGFBKTSJTCI-OLZOCXBDSA-N -1 1 351.472 2.001 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000825256378 604258967 /nfs/dbraw/zinc/25/89/67/604258967.db2.gz WZVCDXLPPFKUMJ-JKSUJKDBSA-N -1 1 359.470 2.203 20 0 FEADMM Cc1nnc(SCCC(=O)NCCN(C(=O)[O-])C2CCCCCC2)[nH]1 ZINC000830893612 604266842 /nfs/dbraw/zinc/26/68/42/604266842.db2.gz NRUQLRKETPYAKG-UHFFFAOYSA-N -1 1 369.491 2.414 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000830094640 604624139 /nfs/dbraw/zinc/62/41/39/604624139.db2.gz SWFDOUNJZMECAN-UHFFFAOYSA-N -1 1 356.425 2.360 20 0 FEADMM CCOc1ccnc(N2CCCN(Cc3cc(C(=O)[O-])oc3C)CC2)n1 ZINC000830116802 604681956 /nfs/dbraw/zinc/68/19/56/604681956.db2.gz CEFXQLLSMOKUGX-UHFFFAOYSA-N -1 1 360.414 2.187 20 0 FEADMM CCOc1ccnc(N2CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)n1 ZINC000830123429 604682211 /nfs/dbraw/zinc/68/22/11/604682211.db2.gz YTYUPSMNDLZMMV-UHFFFAOYSA-N -1 1 374.416 2.425 20 0 FEADMM CC(C)C[C@@H](NC(=O)CN1CCC[C@@H]1Cn1cnc2ccccc21)C(=O)[O-] ZINC000833477122 604717368 /nfs/dbraw/zinc/71/73/68/604717368.db2.gz GGVTWXWQJDBRBJ-NVXWUHKLSA-N -1 1 372.469 2.116 20 0 FEADMM Cc1cccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1 ZINC000826300085 607718626 /nfs/dbraw/zinc/71/86/26/607718626.db2.gz IDQUCJBJRQHWOG-UHFFFAOYSA-N -1 1 362.393 2.272 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(OC)c1C(=O)[O-] ZINC000833734817 604860488 /nfs/dbraw/zinc/86/04/88/604860488.db2.gz YQIWBEONMLUENS-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CC(=O)N[C@@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833396783 604866185 /nfs/dbraw/zinc/86/61/85/604866185.db2.gz ZDGMBIBHWNZFEV-HNNXBMFYSA-N -1 1 366.377 2.467 20 0 FEADMM C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C)[C@@H](C)C3)c2C(=O)[O-])C1 ZINC000833616946 604933233 /nfs/dbraw/zinc/93/32/33/604933233.db2.gz KUNYAVAIKGHMPC-NEPJUHHUSA-N -1 1 365.499 2.146 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000833552185 604942257 /nfs/dbraw/zinc/94/22/57/604942257.db2.gz XJCJPASHCIVRKJ-CYBMUJFWSA-N -1 1 354.410 2.130 20 0 FEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833624166 605002924 /nfs/dbraw/zinc/00/29/24/605002924.db2.gz LEAORWGWWRROHF-QMTHXVAHSA-N -1 1 360.863 2.045 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000833512949 605003213 /nfs/dbraw/zinc/00/32/13/605003213.db2.gz WTCGUBIDSAIUAM-LAHYYIKRSA-N -1 1 364.427 2.065 20 0 FEADMM CCc1cc(CNc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)n[nH]1 ZINC000833671832 605036388 /nfs/dbraw/zinc/03/63/88/605036388.db2.gz QQVKKYXDNCNJFU-UHFFFAOYSA-N -1 1 373.800 2.482 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833541623 605108524 /nfs/dbraw/zinc/10/85/24/605108524.db2.gz CTSLJZMQSNXLCS-QWHCGFSZSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1F ZINC000833514184 605110543 /nfs/dbraw/zinc/11/05/43/605110543.db2.gz PRYDMQXEBOEIGB-STQMWFEESA-N -1 1 354.397 2.466 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000833627538 605113603 /nfs/dbraw/zinc/11/36/03/605113603.db2.gz XUYBOMURDAIHET-LLVKDONJSA-N -1 1 360.332 2.206 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000833626628 605166313 /nfs/dbraw/zinc/16/63/13/605166313.db2.gz QLPXUSZHOZBWGW-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000833626968 605168097 /nfs/dbraw/zinc/16/80/97/605168097.db2.gz UCYFUXCQMKOBQC-HNNXBMFYSA-N -1 1 355.438 2.313 20 0 FEADMM C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCN1CCC(=O)[O-] ZINC000833617584 605253099 /nfs/dbraw/zinc/25/30/99/605253099.db2.gz FGWOAAIWRSWDAK-ZDUSSCGKSA-N -1 1 350.846 2.379 20 0 FEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000833469884 605266491 /nfs/dbraw/zinc/26/64/91/605266491.db2.gz ZUDAZVUNIUIREO-HUUCEWRRSA-N -1 1 371.441 2.470 20 0 FEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000833469884 605266493 /nfs/dbraw/zinc/26/64/93/605266493.db2.gz ZUDAZVUNIUIREO-HUUCEWRRSA-N -1 1 371.441 2.470 20 0 FEADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000831445687 605268531 /nfs/dbraw/zinc/26/85/31/605268531.db2.gz IVHCYVUBJOZWCG-UHFFFAOYSA-N -1 1 368.437 2.347 20 0 FEADMM CCc1cnccc1[C@@H](C)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833675408 605272870 /nfs/dbraw/zinc/27/28/70/605272870.db2.gz YESISAQXEKALCZ-KUHUBIRLSA-N -1 1 367.449 2.333 20 0 FEADMM C[C@H]1CN(C(=O)/C=C\c2ccnc3ccccc23)CCN1CCC(=O)[O-] ZINC000833617504 605276624 /nfs/dbraw/zinc/27/66/24/605276624.db2.gz DDPMJWRFJKDIRU-XHPSBEMXSA-N -1 1 353.422 2.255 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833439328 605296007 /nfs/dbraw/zinc/29/60/07/605296007.db2.gz QWVBBPVVQWLAPY-AWEZNQCLSA-N -1 1 350.415 2.249 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)n[nH]1 ZINC000830035949 605297266 /nfs/dbraw/zinc/29/72/66/605297266.db2.gz HTWWSMXJAOUNAK-WCQYABFASA-N -1 1 359.430 2.477 20 0 FEADMM O=C([O-])NCCCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000834229882 605376826 /nfs/dbraw/zinc/37/68/26/605376826.db2.gz ONTHDVYMUVVCNG-AWEZNQCLSA-N -1 1 357.414 2.226 20 0 FEADMM O=C([O-])NCCCC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834229882 605376834 /nfs/dbraw/zinc/37/68/34/605376834.db2.gz ONTHDVYMUVVCNG-AWEZNQCLSA-N -1 1 357.414 2.226 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000834287763 605377834 /nfs/dbraw/zinc/37/78/34/605377834.db2.gz UDFKMJKNFYAFEF-CABCVRRESA-N -1 1 369.425 2.320 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834287763 605377840 /nfs/dbraw/zinc/37/78/40/605377840.db2.gz UDFKMJKNFYAFEF-CABCVRRESA-N -1 1 369.425 2.320 20 0 FEADMM C[C@H](NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1nnc[nH]1 ZINC000230434722 605486241 /nfs/dbraw/zinc/48/62/41/605486241.db2.gz AGUKWCXTKHLXMV-LURJTMIESA-N -1 1 354.164 2.148 20 0 FEADMM C[C@@H]1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc21 ZINC000824919142 607764011 /nfs/dbraw/zinc/76/40/11/607764011.db2.gz RXKRIEKKOBTMIV-QMTHXVAHSA-N -1 1 352.402 2.360 20 0 FEADMM C[C@@H]1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc21 ZINC000824919142 607764012 /nfs/dbraw/zinc/76/40/12/607764012.db2.gz RXKRIEKKOBTMIV-QMTHXVAHSA-N -1 1 352.402 2.360 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NC(C)(C)CNC(=O)[O-])N2CCCC2)o1 ZINC000830261249 605600817 /nfs/dbraw/zinc/60/08/17/605600817.db2.gz AGYNDXBZJQPRHI-ZDUSSCGKSA-N -1 1 352.435 2.070 20 0 FEADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC(NC(=O)[O-])CC1)CC3 ZINC000830438400 605619365 /nfs/dbraw/zinc/61/93/65/605619365.db2.gz HIFWHZMQNVULKP-UHFFFAOYSA-N -1 1 370.453 2.093 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)n[nH]1 ZINC000830029582 605621753 /nfs/dbraw/zinc/62/17/53/605621753.db2.gz HXFXNPSGOKLIBY-NHYWBVRUSA-N -1 1 351.451 2.165 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000833982804 605694519 /nfs/dbraw/zinc/69/45/19/605694519.db2.gz ZEWSEDMAHBZJET-JQHSSLGASA-N -1 1 374.485 2.375 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000834107349 605725303 /nfs/dbraw/zinc/72/53/03/605725303.db2.gz MOXODFNIRVPOLC-ZBFHGGJFSA-N -1 1 356.430 2.152 20 0 FEADMM CC[C@@]1(C(=O)NCc2ccc(F)c(CN(C)C)c2)CCCN1C(=O)[O-] ZINC000833844665 605769365 /nfs/dbraw/zinc/76/93/65/605769365.db2.gz UPSBFSZHTSAKJA-SFHVURJKSA-N -1 1 351.422 2.426 20 0 FEADMM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)n1 ZINC000559071176 674526865 /nfs/dbraw/zinc/52/68/65/674526865.db2.gz QKBZAIYTFBGETA-ZETCQYMHSA-N -1 1 368.406 2.286 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)[C@H]1CCCOC1 ZINC000559070992 674526890 /nfs/dbraw/zinc/52/68/90/674526890.db2.gz HGTQJRXWMRETOE-RDJZCZTQSA-N -1 1 369.483 2.081 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2ccc(OCCNC(=O)[O-])cc2)c(C)o1 ZINC000833901267 606079643 /nfs/dbraw/zinc/07/96/43/606079643.db2.gz LPRRGJOBRVEHGN-UHFFFAOYSA-N -1 1 354.384 2.344 20 0 FEADMM O=C([O-])N[C@H]1CCc2ncc(NS(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000834193828 606079967 /nfs/dbraw/zinc/07/99/67/606079967.db2.gz NFJKNJHWFDNAJN-LBPRGKRZSA-N -1 1 365.386 2.146 20 0 FEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834087496 606094019 /nfs/dbraw/zinc/09/40/19/606094019.db2.gz GQIDXPGPBVCIDP-UONOGXRCSA-N -1 1 373.457 2.168 20 0 FEADMM O=C([N-]C[C@H]1CCCN(Cc2nc(CC(F)(F)F)no2)C1)C(F)(F)F ZINC000810069106 674529142 /nfs/dbraw/zinc/52/91/42/674529142.db2.gz WYEBBIRLQOOCIW-MRVPVSSYSA-N -1 1 374.285 2.065 20 0 FEADMM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440405 606130639 /nfs/dbraw/zinc/13/06/39/606130639.db2.gz RWPPSGQLCTUNCC-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440405 606130641 /nfs/dbraw/zinc/13/06/41/606130641.db2.gz RWPPSGQLCTUNCC-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(C(C)(C)C)cc2)n1 ZINC000822620622 606159708 /nfs/dbraw/zinc/15/97/08/606159708.db2.gz ZGQDAFPIRAAFFY-UHFFFAOYSA-N -1 1 354.418 2.219 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(C(C)(C)C)cc2)n1 ZINC000822620622 606159710 /nfs/dbraw/zinc/15/97/10/606159710.db2.gz ZGQDAFPIRAAFFY-UHFFFAOYSA-N -1 1 354.418 2.219 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)CCCC2 ZINC000820379338 606167410 /nfs/dbraw/zinc/16/74/10/606167410.db2.gz ATHXXAGTCLAORH-NSHDSACASA-N -1 1 366.429 2.362 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)CCCC2 ZINC000820379338 606167413 /nfs/dbraw/zinc/16/74/13/606167413.db2.gz ATHXXAGTCLAORH-NSHDSACASA-N -1 1 366.429 2.362 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933162 606178034 /nfs/dbraw/zinc/17/80/34/606178034.db2.gz IAZDEJKCIBXLJV-VIFPVBQESA-N -1 1 365.415 2.094 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933162 606178035 /nfs/dbraw/zinc/17/80/35/606178035.db2.gz IAZDEJKCIBXLJV-VIFPVBQESA-N -1 1 365.415 2.094 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1csc(-c2ccccn2)n1 ZINC000823294782 606293356 /nfs/dbraw/zinc/29/33/56/606293356.db2.gz RALRHPLAFSBMHR-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1-c1ccccc1 ZINC000822020944 606293896 /nfs/dbraw/zinc/29/38/96/606293896.db2.gz ONZQNXLFFSSERZ-UHFFFAOYSA-N -1 1 361.365 2.319 20 0 FEADMM Clc1ccc(NCc2ccc(Cn3cncn3)cc2)nc1-c1nnn[n-]1 ZINC000822578101 606445329 /nfs/dbraw/zinc/44/53/29/606445329.db2.gz DASPKUFSZIEOIR-UHFFFAOYSA-N -1 1 367.804 2.167 20 0 FEADMM Clc1ccc(NCc2ccc(Cn3cncn3)cc2)nc1-c1nn[n-]n1 ZINC000822578101 606445330 /nfs/dbraw/zinc/44/53/30/606445330.db2.gz DASPKUFSZIEOIR-UHFFFAOYSA-N -1 1 367.804 2.167 20 0 FEADMM Cc1nccc([C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)n1 ZINC000822472441 606460864 /nfs/dbraw/zinc/46/08/64/606460864.db2.gz SYXKULAQEPTJPR-LLVKDONJSA-N -1 1 356.821 2.398 20 0 FEADMM Cc1nccc([C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)n1 ZINC000822472441 606460866 /nfs/dbraw/zinc/46/08/66/606460866.db2.gz SYXKULAQEPTJPR-LLVKDONJSA-N -1 1 356.821 2.398 20 0 FEADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821222019 606495378 /nfs/dbraw/zinc/49/53/78/606495378.db2.gz NQFNPXFYVVCJQM-UHFFFAOYSA-N -1 1 357.395 2.319 20 0 FEADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821222019 606495380 /nfs/dbraw/zinc/49/53/80/606495380.db2.gz NQFNPXFYVVCJQM-UHFFFAOYSA-N -1 1 357.395 2.319 20 0 FEADMM Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822207141 606508652 /nfs/dbraw/zinc/50/86/52/606508652.db2.gz MFZMWQGTDLUQOG-UHFFFAOYSA-N -1 1 370.438 2.326 20 0 FEADMM Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822207141 606508653 /nfs/dbraw/zinc/50/86/53/606508653.db2.gz MFZMWQGTDLUQOG-UHFFFAOYSA-N -1 1 370.438 2.326 20 0 FEADMM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454770 606528825 /nfs/dbraw/zinc/52/88/25/606528825.db2.gz UAGSIYLJUVOAHU-UHFFFAOYSA-N -1 1 355.379 2.496 20 0 FEADMM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454770 606528826 /nfs/dbraw/zinc/52/88/26/606528826.db2.gz UAGSIYLJUVOAHU-UHFFFAOYSA-N -1 1 355.379 2.496 20 0 FEADMM O=C(COc1ccccc1-c1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823050293 606531262 /nfs/dbraw/zinc/53/12/62/606531262.db2.gz UFISWMXYYKRHJU-UHFFFAOYSA-N -1 1 361.365 2.274 20 0 FEADMM O=C(COc1ccccc1-c1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823050293 606531263 /nfs/dbraw/zinc/53/12/63/606531263.db2.gz UFISWMXYYKRHJU-UHFFFAOYSA-N -1 1 361.365 2.274 20 0 FEADMM O=C(NC1CCN(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154824 606531924 /nfs/dbraw/zinc/53/19/24/606531924.db2.gz LBJLUNUTFOLHLK-UHFFFAOYSA-N -1 1 354.439 2.327 20 0 FEADMM O=C(NC1CCN(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154824 606531925 /nfs/dbraw/zinc/53/19/25/606531925.db2.gz LBJLUNUTFOLHLK-UHFFFAOYSA-N -1 1 354.439 2.327 20 0 FEADMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820536717 606532116 /nfs/dbraw/zinc/53/21/16/606532116.db2.gz WYMXFZWTVMWVHX-JTQLQIEISA-N -1 1 355.402 2.293 20 0 FEADMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820536717 606532119 /nfs/dbraw/zinc/53/21/19/606532119.db2.gz WYMXFZWTVMWVHX-JTQLQIEISA-N -1 1 355.402 2.293 20 0 FEADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820876697 606595776 /nfs/dbraw/zinc/59/57/76/606595776.db2.gz SBXHLYBSKBWRJQ-GFCCVEGCSA-N -1 1 354.418 2.433 20 0 FEADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820876697 606595777 /nfs/dbraw/zinc/59/57/77/606595777.db2.gz SBXHLYBSKBWRJQ-GFCCVEGCSA-N -1 1 354.418 2.433 20 0 FEADMM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820225235 606649429 /nfs/dbraw/zinc/64/94/29/606649429.db2.gz DVVWMMSAEYECCQ-NSHDSACASA-N -1 1 369.356 2.353 20 0 FEADMM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820225235 606649430 /nfs/dbraw/zinc/64/94/30/606649430.db2.gz DVVWMMSAEYECCQ-NSHDSACASA-N -1 1 369.356 2.353 20 0 FEADMM O=C(Cc1cccc(Br)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823111142 606652172 /nfs/dbraw/zinc/65/21/72/606652172.db2.gz BLLJXSPEGGJCQO-UHFFFAOYSA-N -1 1 374.198 2.310 20 0 FEADMM O=C(Cc1cccc(Br)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823111142 606652173 /nfs/dbraw/zinc/65/21/73/606652173.db2.gz BLLJXSPEGGJCQO-UHFFFAOYSA-N -1 1 374.198 2.310 20 0 FEADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1Cc1ccccc1 ZINC000822167670 606654979 /nfs/dbraw/zinc/65/49/79/606654979.db2.gz FYCCOBLYFPUAFX-UHFFFAOYSA-N -1 1 361.409 2.413 20 0 FEADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1Cc1ccccc1 ZINC000822167670 606654980 /nfs/dbraw/zinc/65/49/80/606654980.db2.gz FYCCOBLYFPUAFX-UHFFFAOYSA-N -1 1 361.409 2.413 20 0 FEADMM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820294403 606683983 /nfs/dbraw/zinc/68/39/83/606683983.db2.gz SFSVZXQFZKCMAY-VIFPVBQESA-N -1 1 361.406 2.106 20 0 FEADMM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820294403 606683984 /nfs/dbraw/zinc/68/39/84/606683984.db2.gz SFSVZXQFZKCMAY-VIFPVBQESA-N -1 1 361.406 2.106 20 0 FEADMM Fc1cccnc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822796743 606729841 /nfs/dbraw/zinc/72/98/41/606729841.db2.gz XJCXWRMZNOJTFJ-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Fc1cccnc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822796743 606729843 /nfs/dbraw/zinc/72/98/43/606729843.db2.gz XJCXWRMZNOJTFJ-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Fc1cccnc1N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822796535 606730206 /nfs/dbraw/zinc/73/02/06/606730206.db2.gz TZXQFMZYNCCYGM-SSDOTTSWSA-N -1 1 366.813 2.202 20 0 FEADMM Fc1cccnc1N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822796535 606730208 /nfs/dbraw/zinc/73/02/08/606730208.db2.gz TZXQFMZYNCCYGM-SSDOTTSWSA-N -1 1 366.813 2.202 20 0 FEADMM C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820571272 606763023 /nfs/dbraw/zinc/76/30/23/606763023.db2.gz XEKJWQKJTNHJNG-NSHDSACASA-N -1 1 361.402 2.388 20 0 FEADMM CC(C)(NC(=O)c1cc(Cl)cc(F)c1Br)c1nn[n-]n1 ZINC000559545444 674546946 /nfs/dbraw/zinc/54/69/46/674546946.db2.gz MNEBOSIMYWEHNC-UHFFFAOYSA-N -1 1 362.590 2.420 20 0 FEADMM CC1CCC(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820690973 606840281 /nfs/dbraw/zinc/84/02/81/606840281.db2.gz UVBZJSDNXHQUCN-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C1CCCCC1 ZINC000823511631 607035471 /nfs/dbraw/zinc/03/54/71/607035471.db2.gz HUFYUAYKCSMFDN-SECBINFHSA-N -1 1 367.866 2.322 20 0 FEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C1CCCCC1 ZINC000823511631 607035472 /nfs/dbraw/zinc/03/54/72/607035472.db2.gz HUFYUAYKCSMFDN-SECBINFHSA-N -1 1 367.866 2.322 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1CCCOC1 ZINC000822541704 607081387 /nfs/dbraw/zinc/08/13/87/607081387.db2.gz POBQIZMNICNLOK-LBPRGKRZSA-N -1 1 357.370 2.142 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1CCCOC1 ZINC000822541704 607081389 /nfs/dbraw/zinc/08/13/89/607081389.db2.gz POBQIZMNICNLOK-LBPRGKRZSA-N -1 1 357.370 2.142 20 0 FEADMM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810589996 674551978 /nfs/dbraw/zinc/55/19/78/674551978.db2.gz ARSRBBBFRCWBKM-SUMWQHHRSA-N -1 1 356.463 2.406 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822540952 607105030 /nfs/dbraw/zinc/10/50/30/607105030.db2.gz HZYXNEZMYUPCGV-LBPRGKRZSA-N -1 1 374.445 2.049 20 0 FEADMM COCCn1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000821695345 607105981 /nfs/dbraw/zinc/10/59/81/607105981.db2.gz UHIPSVFOWNOGBN-UHFFFAOYSA-N -1 1 369.410 2.177 20 0 FEADMM COCCn1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000821695345 607105983 /nfs/dbraw/zinc/10/59/83/607105983.db2.gz UHIPSVFOWNOGBN-UHFFFAOYSA-N -1 1 369.410 2.177 20 0 FEADMM CC1CCN(c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cn2)CC1 ZINC000820727286 607109229 /nfs/dbraw/zinc/10/92/29/607109229.db2.gz KFWYJGQDSCTMOU-UHFFFAOYSA-N -1 1 370.442 2.207 20 0 FEADMM CC1CCN(c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cn2)CC1 ZINC000820727286 607109230 /nfs/dbraw/zinc/10/92/30/607109230.db2.gz KFWYJGQDSCTMOU-UHFFFAOYSA-N -1 1 370.442 2.207 20 0 FEADMM O=C(COc1ccccc1C(F)(F)F)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823055181 607110119 /nfs/dbraw/zinc/11/01/19/607110119.db2.gz KAJIOTCTYZNJRI-UHFFFAOYSA-N -1 1 370.316 2.360 20 0 FEADMM O=C(COc1ccccc1C(F)(F)F)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823055181 607110120 /nfs/dbraw/zinc/11/01/20/607110120.db2.gz KAJIOTCTYZNJRI-UHFFFAOYSA-N -1 1 370.316 2.360 20 0 FEADMM CCc1nn(C)c(CC)c1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825759974 607850492 /nfs/dbraw/zinc/85/04/92/607850492.db2.gz RFAUHAFLIWTBOY-UHFFFAOYSA-N -1 1 363.429 2.280 20 0 FEADMM CCc1nn(C)c(CC)c1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825759974 607850493 /nfs/dbraw/zinc/85/04/93/607850493.db2.gz RFAUHAFLIWTBOY-UHFFFAOYSA-N -1 1 363.429 2.280 20 0 FEADMM CC(=O)c1ccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824029505 607874665 /nfs/dbraw/zinc/87/46/65/607874665.db2.gz LLDZVRRHKKDTTR-ZDUSSCGKSA-N -1 1 372.356 2.027 20 0 FEADMM CC(=O)c1ccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824029505 607874666 /nfs/dbraw/zinc/87/46/66/607874666.db2.gz LLDZVRRHKKDTTR-ZDUSSCGKSA-N -1 1 372.356 2.027 20 0 FEADMM O=C(C=Cc1cnc2ccccc2n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826402872 607998127 /nfs/dbraw/zinc/99/81/27/607998127.db2.gz DWWQJDZIWHTHSF-SOFGYWHQSA-N -1 1 359.349 2.167 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccnc1N1CCCCC1 ZINC000826450793 607999593 /nfs/dbraw/zinc/99/95/93/607999593.db2.gz DLSJZHMFOVENKH-UHFFFAOYSA-N -1 1 365.397 2.210 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N(C)OCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341651 608063995 /nfs/dbraw/zinc/06/39/95/608063995.db2.gz MROIUKWCRYOQIE-LBPRGKRZSA-N -1 1 370.413 2.467 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC12CCCCC2 ZINC000826232699 608164462 /nfs/dbraw/zinc/16/44/62/608164462.db2.gz DPSMRBKXVZQNHK-AWEZNQCLSA-N -1 1 370.457 2.356 20 0 FEADMM Cc1nnc([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)o1 ZINC000826335572 608181326 /nfs/dbraw/zinc/18/13/26/608181326.db2.gz SIJYRAMKYMPEPY-SSDOTTSWSA-N -1 1 352.811 2.052 20 0 FEADMM Cc1nnc([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)o1 ZINC000826335572 608181327 /nfs/dbraw/zinc/18/13/27/608181327.db2.gz SIJYRAMKYMPEPY-SSDOTTSWSA-N -1 1 352.811 2.052 20 0 FEADMM Cn1cncc1[C@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826365169 608182071 /nfs/dbraw/zinc/18/20/71/608182071.db2.gz DNTPIMAIHIPXCO-MRVPVSSYSA-N -1 1 350.839 2.442 20 0 FEADMM Cn1cncc1[C@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826365169 608182072 /nfs/dbraw/zinc/18/20/72/608182072.db2.gz DNTPIMAIHIPXCO-MRVPVSSYSA-N -1 1 350.839 2.442 20 0 FEADMM CC[C@@H]1CC[C@H](C)N1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825193362 608245702 /nfs/dbraw/zinc/24/57/02/608245702.db2.gz LDPMHHJJYVQINC-GXFFZTMASA-N -1 1 358.446 2.306 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826523609 608297031 /nfs/dbraw/zinc/29/70/31/608297031.db2.gz ROLQBFJVRBVQPS-KGLIPLIRSA-N -1 1 365.441 2.453 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826523609 608297032 /nfs/dbraw/zinc/29/70/32/608297032.db2.gz ROLQBFJVRBVQPS-KGLIPLIRSA-N -1 1 365.441 2.453 20 0 FEADMM CCOc1cc(CCCNc2ccc(-c3nnn[n-]3)nn2)ccc1OC ZINC000825616061 608421659 /nfs/dbraw/zinc/42/16/59/608421659.db2.gz VBLQTHWXEDLZCU-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM CCOc1cc(CCCNc2ccc(-c3nn[n-]n3)nn2)ccc1OC ZINC000825616061 608421661 /nfs/dbraw/zinc/42/16/61/608421661.db2.gz VBLQTHWXEDLZCU-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM COc1ccc2c(c1)OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000826212804 608440466 /nfs/dbraw/zinc/44/04/66/608440466.db2.gz BRHAPBAHAOMQQI-QMMMGPOBSA-N -1 1 364.818 2.401 20 0 FEADMM COc1ccc2c(c1)OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000826212804 608440469 /nfs/dbraw/zinc/44/04/69/608440469.db2.gz BRHAPBAHAOMQQI-QMMMGPOBSA-N -1 1 364.818 2.401 20 0 FEADMM O=C(c1cccc(Cl)c1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473904 608514126 /nfs/dbraw/zinc/51/41/26/608514126.db2.gz SSLAUNYXGFOEQN-UHFFFAOYSA-N -1 1 372.816 2.071 20 0 FEADMM O=C(c1cccc(Cl)c1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473904 608514127 /nfs/dbraw/zinc/51/41/27/608514127.db2.gz SSLAUNYXGFOEQN-UHFFFAOYSA-N -1 1 372.816 2.071 20 0 FEADMM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826466822 608515488 /nfs/dbraw/zinc/51/54/88/608515488.db2.gz VCBICUDBSBZOHK-HNNXBMFYSA-N -1 1 353.382 2.168 20 0 FEADMM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826466822 608515489 /nfs/dbraw/zinc/51/54/89/608515489.db2.gz VCBICUDBSBZOHK-HNNXBMFYSA-N -1 1 353.382 2.168 20 0 FEADMM CCCCC[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825268797 608560362 /nfs/dbraw/zinc/56/03/62/608560362.db2.gz YPDXYVDSNXSTBC-LBPRGKRZSA-N -1 1 362.482 2.170 20 0 FEADMM CCCCC[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825268797 608560364 /nfs/dbraw/zinc/56/03/64/608560364.db2.gz YPDXYVDSNXSTBC-LBPRGKRZSA-N -1 1 362.482 2.170 20 0 FEADMM CCOC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(F)cc1 ZINC000825517890 608657384 /nfs/dbraw/zinc/65/73/84/608657384.db2.gz PJHDPUGRHXDLSC-UHFFFAOYSA-N -1 1 359.361 2.164 20 0 FEADMM CCOC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(F)cc1 ZINC000825517890 608657388 /nfs/dbraw/zinc/65/73/88/608657388.db2.gz PJHDPUGRHXDLSC-UHFFFAOYSA-N -1 1 359.361 2.164 20 0 FEADMM O=C(C[C@H]1CCCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826404054 609289475 /nfs/dbraw/zinc/28/94/75/609289475.db2.gz MSHSQTAQEZWAKA-LLVKDONJSA-N -1 1 371.376 2.089 20 0 FEADMM O=C(CCC(F)(F)F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826405352 609291285 /nfs/dbraw/zinc/29/12/85/609291285.db2.gz CIXZFUUCXCICAK-UHFFFAOYSA-N -1 1 369.282 2.473 20 0 FEADMM CC1CC(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824892232 609360653 /nfs/dbraw/zinc/36/06/53/609360653.db2.gz FLFKLYGXXSLGIK-UHFFFAOYSA-N -1 1 356.365 2.112 20 0 FEADMM CCN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(C)C ZINC000825376865 609361634 /nfs/dbraw/zinc/36/16/34/609361634.db2.gz OGOAFJWPYINGFY-UHFFFAOYSA-N -1 1 358.381 2.454 20 0 FEADMM C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC000824915371 609400696 /nfs/dbraw/zinc/40/06/96/609400696.db2.gz DOYAXXAQYXUAMP-BDJLRTHQSA-N -1 1 365.434 2.207 20 0 FEADMM C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC000824915371 609400697 /nfs/dbraw/zinc/40/06/97/609400697.db2.gz DOYAXXAQYXUAMP-BDJLRTHQSA-N -1 1 365.434 2.207 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000826340655 609401658 /nfs/dbraw/zinc/40/16/58/609401658.db2.gz GQMKHMBYTUZZSI-JQWIXIFHSA-N -1 1 358.377 2.379 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000826340655 609401660 /nfs/dbraw/zinc/40/16/60/609401660.db2.gz GQMKHMBYTUZZSI-JQWIXIFHSA-N -1 1 358.377 2.379 20 0 FEADMM O=C(c1cc(Cl)ncc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000810702849 674557924 /nfs/dbraw/zinc/55/79/24/674557924.db2.gz SJIDGOJRYBVMRU-SSDOTTSWSA-N -1 1 371.626 2.030 20 0 FEADMM O=C(c1cc(Cl)ncc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000810702850 674558118 /nfs/dbraw/zinc/55/81/18/674558118.db2.gz SJIDGOJRYBVMRU-ZETCQYMHSA-N -1 1 371.626 2.030 20 0 FEADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)cc21 ZINC000559841318 674558085 /nfs/dbraw/zinc/55/80/85/674558085.db2.gz XKRNRWLMTBCCAC-UHFFFAOYSA-N -1 1 374.344 2.459 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)CC(=O)NC3CCCCC3)n2)cc1 ZINC000559984226 674563027 /nfs/dbraw/zinc/56/30/27/674563027.db2.gz DMKYRFIAEQJXIZ-UHFFFAOYSA-N -1 1 362.455 2.003 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)CC(=O)NC3CCCCC3)n[n-]2)cc1 ZINC000559984226 674563028 /nfs/dbraw/zinc/56/30/28/674563028.db2.gz DMKYRFIAEQJXIZ-UHFFFAOYSA-N -1 1 362.455 2.003 20 0 FEADMM O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(Br)c([O-])c1 ZINC000811570169 674614527 /nfs/dbraw/zinc/61/45/27/674614527.db2.gz FNUQOYOOZHYLLV-IUODEOHRSA-N -1 1 364.195 2.379 20 0 FEADMM Cc1ccc(CCNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000811859599 674634203 /nfs/dbraw/zinc/63/42/03/674634203.db2.gz VCXMMHQISYVKIS-GFCCVEGCSA-N -1 1 361.364 2.231 20 0 FEADMM CC1(C)[C@@H](CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)C1(F)F ZINC000641345913 677201883 /nfs/dbraw/zinc/20/18/83/677201883.db2.gz DTAKSUFTYFWSDN-WDEREUQCSA-N -1 1 355.353 2.209 20 0 FEADMM Cc1noc(C2CC2)c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274746 674660756 /nfs/dbraw/zinc/66/07/56/674660756.db2.gz KSQDLFYVOOYXTQ-JTQLQIEISA-N -1 1 359.348 2.391 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc2[nH]ccc21 ZINC000561688361 674690449 /nfs/dbraw/zinc/69/04/49/674690449.db2.gz LIHRXZGBHGBEEK-LBPRGKRZSA-N -1 1 352.412 2.265 20 0 FEADMM COc1ccc(Cl)cc1N1C[C@@H](C(=O)[N-]OCCOC(C)C)CC1=O ZINC000812806032 674699977 /nfs/dbraw/zinc/69/99/77/674699977.db2.gz LFSQUTMJDJJXFN-LBPRGKRZSA-N -1 1 370.833 2.174 20 0 FEADMM CC(C)OCCO[N-]C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000812804515 674699453 /nfs/dbraw/zinc/69/94/53/674699453.db2.gz OAQRMKCFLBJBHX-UHFFFAOYSA-N -1 1 369.215 2.377 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)cc1 ZINC000562226763 674730506 /nfs/dbraw/zinc/73/05/06/674730506.db2.gz FRXHKUNFOQXJKX-UHFFFAOYSA-N -1 1 369.439 2.338 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC2(CCOCC2)C1)c1cc2ccccc2o1 ZINC000562372452 674747561 /nfs/dbraw/zinc/74/75/61/674747561.db2.gz JLKCHFDFNCIZCG-AWEZNQCLSA-N -1 1 351.424 2.439 20 0 FEADMM C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(N)=O ZINC000562357827 674745461 /nfs/dbraw/zinc/74/54/61/674745461.db2.gz DLQUPBIVEIFZRU-SJKOYZFVSA-N -1 1 358.419 2.369 20 0 FEADMM O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000562522848 674765057 /nfs/dbraw/zinc/76/50/57/674765057.db2.gz BCADFCJJBSTXDW-QMMMGPOBSA-N -1 1 366.212 2.174 20 0 FEADMM COC[C@H](C)n1ccc(=NC(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)[nH]1 ZINC000562687899 674787146 /nfs/dbraw/zinc/78/71/46/674787146.db2.gz IJNMRCGLJWWGGA-JTQLQIEISA-N -1 1 360.443 2.338 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn([C@@H]2CCOC2)c1C)c1ccccc1 ZINC000562714869 674793320 /nfs/dbraw/zinc/79/33/20/674793320.db2.gz XCUNFLPULHMIOK-NVXWUHKLSA-N -1 1 365.455 2.282 20 0 FEADMM CCCc1ccc(NC(C)=C2C(=O)[N-]C(=S)N(CCOC)C2=O)cc1 ZINC000814329232 674832298 /nfs/dbraw/zinc/83/22/98/674832298.db2.gz FXVBDAVPBCMGLW-NTCAYCPXSA-N -1 1 361.467 2.215 20 0 FEADMM CCc1nc(SCc2csc(CC(=O)N(C)C)n2)[n-]c(=O)c1C ZINC000563438482 674889012 /nfs/dbraw/zinc/88/90/12/674889012.db2.gz BAHJPUCRZIURCR-UHFFFAOYSA-N -1 1 352.485 2.433 20 0 FEADMM Cc1nnc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)[nH]1 ZINC000564575854 675039476 /nfs/dbraw/zinc/03/94/76/675039476.db2.gz HMGAMJZONWEDDJ-QWHCGFSZSA-N -1 1 365.231 2.176 20 0 FEADMM Cc1nnc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)[nH]1 ZINC000564575854 675039478 /nfs/dbraw/zinc/03/94/78/675039478.db2.gz HMGAMJZONWEDDJ-QWHCGFSZSA-N -1 1 365.231 2.176 20 0 FEADMM C=CCn1c(Cc2csc(NC(=O)c3cc[n+]([O-])cc3)n2)n[n-]c1=S ZINC000026091816 670067189 /nfs/dbraw/zinc/06/71/89/670067189.db2.gz JHSMBEZXMVADNS-UHFFFAOYSA-N -1 1 374.451 2.444 20 0 FEADMM O=C(CSc1nnc(N2CCOCC2)n1C1CC1)c1ccc([O-])cc1 ZINC000029619498 670102179 /nfs/dbraw/zinc/10/21/79/670102179.db2.gz ZZIQOWAPJIHUCQ-UHFFFAOYSA-N -1 1 360.439 2.130 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564967978 675082910 /nfs/dbraw/zinc/08/29/10/675082910.db2.gz TVSSSVLYOSWQIE-BXUZGUMPSA-N -1 1 354.834 2.007 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)o1 ZINC000030568377 670112109 /nfs/dbraw/zinc/11/21/09/670112109.db2.gz NRBDRGAQKYXBEQ-UHFFFAOYSA-N -1 1 359.201 2.203 20 0 FEADMM Cc1ccc2cc(C(=O)OCC(=O)N[N-]C(=O)c3cccs3)[nH]c2c1 ZINC000031445636 670121160 /nfs/dbraw/zinc/12/11/60/670121160.db2.gz FYIVBXFGRMQDLZ-UHFFFAOYSA-N -1 1 357.391 2.156 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1C(N)=O ZINC000032085004 670126303 /nfs/dbraw/zinc/12/63/03/670126303.db2.gz NJYAZFYNORKUEQ-UHFFFAOYSA-N -1 1 362.407 2.056 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1F ZINC000032087095 670126378 /nfs/dbraw/zinc/12/63/78/670126378.db2.gz CBHGAMRWUOSOOW-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM CC(C)COCCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000041785064 670151041 /nfs/dbraw/zinc/15/10/41/670151041.db2.gz CCKHBFVUMZFUDF-UHFFFAOYSA-N -1 1 360.476 2.149 20 0 FEADMM NC(=O)c1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000041835518 670151391 /nfs/dbraw/zinc/15/13/91/670151391.db2.gz ILFSMJZDTWTNJU-UHFFFAOYSA-N -1 1 359.436 2.407 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)o1 ZINC000042263911 670160590 /nfs/dbraw/zinc/16/05/90/670160590.db2.gz MXQXBGWIKAMQRJ-UHFFFAOYSA-N -1 1 359.787 2.077 20 0 FEADMM O=C([N-]NC(=O)c1csc([N+](=O)[O-])c1)c1cc(-c2ccccc2)[nH]n1 ZINC000044983527 670198600 /nfs/dbraw/zinc/19/86/00/670198600.db2.gz WZBZJNYPLVMDQK-UHFFFAOYSA-N -1 1 357.351 2.121 20 0 FEADMM O=C([N-]NC(=O)c1cc(-c2ccccc2)n[nH]1)c1csc([N+](=O)[O-])c1 ZINC000044983527 670198602 /nfs/dbraw/zinc/19/86/02/670198602.db2.gz WZBZJNYPLVMDQK-UHFFFAOYSA-N -1 1 357.351 2.121 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCOc2cc(C)ccc2C)o1 ZINC000046315660 670220700 /nfs/dbraw/zinc/22/07/00/670220700.db2.gz IWKZSWXVPKOCCB-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM O=c1c2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2nc2n1CCC2 ZINC000047906456 670254147 /nfs/dbraw/zinc/25/41/47/670254147.db2.gz PFGVILRUZZFYSZ-UHFFFAOYSA-N -1 1 359.382 2.283 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)cc1F ZINC000055597613 670352744 /nfs/dbraw/zinc/35/27/44/670352744.db2.gz OWCSEWPCMHHGCD-UHFFFAOYSA-N -1 1 365.386 2.165 20 0 FEADMM O=C1NCCN1c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000055597833 670352861 /nfs/dbraw/zinc/35/28/61/670352861.db2.gz UWODFAYKAUWNBC-UHFFFAOYSA-N -1 1 353.350 2.295 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)COc2ccccc2)c(=O)[n-]1 ZINC000055733350 670354306 /nfs/dbraw/zinc/35/43/06/670354306.db2.gz UPCHAISYAZVHMV-GFCCVEGCSA-N -1 1 361.467 2.317 20 0 FEADMM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000057021174 670365202 /nfs/dbraw/zinc/36/52/02/670365202.db2.gz ABPDBTXIICQBAT-MRVPVSSYSA-N -1 1 365.789 2.098 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC)C(C)(C)C ZINC000817135556 675101985 /nfs/dbraw/zinc/10/19/85/675101985.db2.gz LEYWZSYOSFFTQC-HZPDHXFCSA-N -1 1 371.499 2.141 20 0 FEADMM CCCCc1ccc(NC=C2C(=O)[N-]C(=S)N(CCOC)C2=O)cc1 ZINC000060861340 670390252 /nfs/dbraw/zinc/39/02/52/670390252.db2.gz ZSCZGGHDCGEITF-QINSGFPZSA-N -1 1 361.467 2.215 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C(=O)OC)o1 ZINC000062295677 670399939 /nfs/dbraw/zinc/39/99/39/670399939.db2.gz UAZBBRYJUJKOJI-UHFFFAOYSA-N -1 1 367.379 2.185 20 0 FEADMM Cc1csc2nc(COC(=O)c3c([O-])cc(F)cc3F)cc(=O)n12 ZINC000063543563 670407833 /nfs/dbraw/zinc/40/78/33/670407833.db2.gz KVZATIOWYXUOQG-UHFFFAOYSA-N -1 1 352.318 2.405 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/nfs/dbraw/zinc/46/38/93/672463893.db2.gz XQRJQKMHDLLMCU-UHFFFAOYSA-N -1 1 370.146 2.157 20 0 FEADMM CSc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)ccn1 ZINC000611231286 676026917 /nfs/dbraw/zinc/02/69/17/676026917.db2.gz BLRCOLYHIGFMLC-UHFFFAOYSA-N -1 1 372.493 2.149 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c(F)c1 ZINC000588677301 672470983 /nfs/dbraw/zinc/47/09/83/672470983.db2.gz LNCVHHNBMIXXDG-UHFFFAOYSA-N -1 1 361.341 2.470 20 0 FEADMM CC(C)(C)c1nc(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cs1 ZINC000588696329 672472826 /nfs/dbraw/zinc/47/28/26/672472826.db2.gz BRGSOPOBLJVCNX-AWEZNQCLSA-N -1 1 356.455 2.402 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3c(F)cccc3Cl)nc2n1 ZINC000588745412 672476672 /nfs/dbraw/zinc/47/66/72/672476672.db2.gz ULRTYPBTKOWZNX-UHFFFAOYSA-N -1 1 363.780 2.344 20 0 FEADMM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]c3ccon3)s2)CC1 ZINC000183726695 672478275 /nfs/dbraw/zinc/47/82/75/672478275.db2.gz ZBPIALREZLNFMD-UHFFFAOYSA-N -1 1 355.441 2.409 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000679465143 672498603 /nfs/dbraw/zinc/49/86/03/672498603.db2.gz GHXNNGDKBDZMLJ-UHFFFAOYSA-N -1 1 366.395 2.169 20 0 FEADMM COc1cccc(C(=O)N[N-]C(=O)c2ccc(F)c(Cl)c2F)c1O ZINC000184462992 672499473 /nfs/dbraw/zinc/49/94/73/672499473.db2.gz ORFQGJXLOLXBKL-UHFFFAOYSA-N -1 1 356.712 2.407 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1cccc2nsnc21 ZINC000589149479 672509828 /nfs/dbraw/zinc/50/98/28/672509828.db2.gz JWLTYCLHYCLPHY-UHFFFAOYSA-N -1 1 358.408 2.073 20 0 FEADMM Cn1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000589460472 672527305 /nfs/dbraw/zinc/52/73/05/672527305.db2.gz SWCQJXRKVSRWHC-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM CN(C)c1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000680260571 672560777 /nfs/dbraw/zinc/56/07/77/672560777.db2.gz XEEHKEDNHIHFQH-UHFFFAOYSA-N -1 1 366.443 2.070 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1Cl ZINC000590383741 672576453 /nfs/dbraw/zinc/57/64/53/672576453.db2.gz 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ZINC000590960517 672636737 /nfs/dbraw/zinc/63/67/37/672636737.db2.gz HXIMHCURSUMVOJ-CYBMUJFWSA-N -1 1 352.379 2.436 20 0 FEADMM COC(=O)[C@H]1CSCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000591237660 672660809 /nfs/dbraw/zinc/66/08/09/672660809.db2.gz SDQFKIHISUXNOS-SNVBAGLBSA-N -1 1 363.357 2.389 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)ccc1F ZINC000591797274 672712779 /nfs/dbraw/zinc/71/27/79/672712779.db2.gz VQQJZABFNFHSIF-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)C(C)C ZINC000592035930 672738723 /nfs/dbraw/zinc/73/87/23/672738723.db2.gz JGBKVAKNIACFNP-KGLIPLIRSA-N -1 1 351.509 2.333 20 0 FEADMM CCC(CC)([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000592038848 672739646 /nfs/dbraw/zinc/73/96/46/672739646.db2.gz IVEZNABSMKMKOO-UHFFFAOYSA-N -1 1 354.350 2.111 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000592076160 672749086 /nfs/dbraw/zinc/74/90/86/672749086.db2.gz VOVWEKLYAYSAJD-LLVKDONJSA-N -1 1 353.362 2.360 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000195077071 672775048 /nfs/dbraw/zinc/77/50/48/672775048.db2.gz JRGNIRDBEMLYIK-SNVBAGLBSA-N -1 1 357.435 2.215 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000195140024 672776295 /nfs/dbraw/zinc/77/62/95/672776295.db2.gz ASKLNGMRCUDQJZ-SNVBAGLBSA-N -1 1 352.287 2.399 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c(F)cc1F ZINC000592351392 672790265 /nfs/dbraw/zinc/79/02/65/672790265.db2.gz PLXLUELDLQJMOP-ZDUSSCGKSA-N -1 1 351.371 2.164 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)C[C@@H](C)n2cc(Br)cn2)[n-]1 ZINC000592630108 672820109 /nfs/dbraw/zinc/82/01/09/672820109.db2.gz CRFRUUZDFXCDQR-MRVPVSSYSA-N -1 1 370.207 2.135 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](C)n2cc(Br)cn2)n1 ZINC000592630108 672820113 /nfs/dbraw/zinc/82/01/13/672820113.db2.gz CRFRUUZDFXCDQR-MRVPVSSYSA-N -1 1 370.207 2.135 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)c(F)c1 ZINC000683197609 672821971 /nfs/dbraw/zinc/82/19/71/672821971.db2.gz HKKMILYXLNQFDY-SNVBAGLBSA-N -1 1 355.362 2.125 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc(Cl)c1[O-] ZINC000683354480 672835395 /nfs/dbraw/zinc/83/53/95/672835395.db2.gz SCNAWAKIVXURGI-PXWWUCIGSA-N -1 1 352.818 2.170 20 0 FEADMM CCC[C@@H](NC(=O)c1cccn2cc(C(F)(F)F)nc12)c1nn[n-]n1 ZINC000612062100 676066674 /nfs/dbraw/zinc/06/66/74/676066674.db2.gz SLVGYVWOMGNPGF-SECBINFHSA-N -1 1 353.308 2.137 20 0 FEADMM CCC[C@@H](NC(=O)c1ccn2cc(C(F)(F)F)nc2c1)c1nn[n-]n1 ZINC000612059820 676066860 /nfs/dbraw/zinc/06/68/60/676066860.db2.gz FKEHPRBNCZHONB-SECBINFHSA-N -1 1 353.308 2.137 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(F)(F)CC2)o1 ZINC000684518408 672938332 /nfs/dbraw/zinc/93/83/32/672938332.db2.gz OCVGYWUDNBNALF-UHFFFAOYSA-N -1 1 350.387 2.228 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1C(=O)[O-] ZINC000269916043 672944394 /nfs/dbraw/zinc/94/43/94/672944394.db2.gz CZEUFFOPQAHUFN-UHFFFAOYSA-N -1 1 354.384 2.024 20 0 FEADMM COCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000311521658 673027266 /nfs/dbraw/zinc/02/72/66/673027266.db2.gz PNEYFOXJZQOKAV-UHFFFAOYSA-N -1 1 371.684 2.448 20 0 FEADMM C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000319893148 673037958 /nfs/dbraw/zinc/03/79/58/673037958.db2.gz WEKIPLMQDUDXKH-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H](C)CN1CCCCC1 ZINC000325415284 673049742 /nfs/dbraw/zinc/04/97/42/673049742.db2.gz GBVOBZLZZSGVLP-LLVKDONJSA-N -1 1 374.890 2.499 20 0 FEADMM O=C([O-])c1c(F)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000325648654 673050425 /nfs/dbraw/zinc/05/04/25/673050425.db2.gz YFHFVMAQTQYGET-UHFFFAOYSA-N -1 1 358.278 2.372 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2OC)cc1C(=O)[O-] ZINC000685902771 673053677 /nfs/dbraw/zinc/05/36/77/673053677.db2.gz VOGILOBLRDQIHY-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000720482877 673080611 /nfs/dbraw/zinc/08/06/11/673080611.db2.gz LTVRXNHGGIJIOA-SECBINFHSA-N -1 1 361.179 2.248 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000594478651 673084163 /nfs/dbraw/zinc/08/41/63/673084163.db2.gz VEXUWMTZRDAECY-SECBINFHSA-N -1 1 368.377 2.357 20 0 FEADMM CC(=O)C1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000722045648 673084470 /nfs/dbraw/zinc/08/44/70/673084470.db2.gz MLWVOFPESZZMFI-UHFFFAOYSA-N -1 1 373.190 2.438 20 0 FEADMM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000594695493 673117781 /nfs/dbraw/zinc/11/77/81/673117781.db2.gz RLYUWKOVJIILRE-CQSZACIVSA-N -1 1 358.460 2.447 20 0 FEADMM CCCCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000728290553 673197559 /nfs/dbraw/zinc/19/75/59/673197559.db2.gz CHKNMASJUCTCHB-LLVKDONJSA-N -1 1 366.480 2.444 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2ccc(C)c(OC)c2)cc1C ZINC000595315380 673222348 /nfs/dbraw/zinc/22/23/48/673222348.db2.gz MWCRCCZUFHQMFG-UHFFFAOYSA-N -1 1 367.423 2.213 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)cc1C ZINC000595319692 673223347 /nfs/dbraw/zinc/22/33/47/673223347.db2.gz CHUMPPREVDGVDC-UHFFFAOYSA-N -1 1 358.441 2.433 20 0 FEADMM COc1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c(O)c1 ZINC000443557221 673223917 /nfs/dbraw/zinc/22/39/17/673223917.db2.gz IDPTUPWOPAOCNE-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)cc1C ZINC000595322710 673224107 /nfs/dbraw/zinc/22/41/07/673224107.db2.gz JIGBWVUTCMMJBU-NSHDSACASA-N -1 1 371.798 2.440 20 0 FEADMM Cc1cccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000467908149 673310419 /nfs/dbraw/zinc/31/04/19/673310419.db2.gz FLKJXEUNHMTDOL-UHFFFAOYSA-N -1 1 365.455 2.032 20 0 FEADMM CO[C@@H]1CC[C@@H](C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000613554194 676133686 /nfs/dbraw/zinc/13/36/86/676133686.db2.gz GADFJKGOVXJEEZ-BREBYQMCSA-N -1 1 353.785 2.013 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000537502290 673391460 /nfs/dbraw/zinc/39/14/60/673391460.db2.gz XSNPLXWUMHQDGU-UHFFFAOYSA-N -1 1 368.436 2.011 20 0 FEADMM CCc1ncsc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000537773908 673406828 /nfs/dbraw/zinc/40/68/28/673406828.db2.gz IGLFKUDRLWEYOQ-UHFFFAOYSA-N -1 1 367.452 2.104 20 0 FEADMM O=C(CNC(=O)c1c(F)ccc([O-])c1F)Nc1ccc(F)c(F)c1F ZINC000537950547 673415229 /nfs/dbraw/zinc/41/52/29/673415229.db2.gz BXDILQCALOTPPD-UHFFFAOYSA-N -1 1 360.238 2.456 20 0 FEADMM CSc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1C ZINC000538089763 673421579 /nfs/dbraw/zinc/42/15/79/673421579.db2.gz GPZABZHEKJDOCE-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000538299454 673432630 /nfs/dbraw/zinc/43/26/30/673432630.db2.gz WPIFGRXTNPRTQL-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM Cc1ccc(OCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1C ZINC000540050990 673521094 /nfs/dbraw/zinc/52/10/94/673521094.db2.gz MHNMODJCHSPTNW-UHFFFAOYSA-N -1 1 364.423 2.064 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cn3c(cccc3C)n2)c(F)c1 ZINC000598028202 673531500 /nfs/dbraw/zinc/53/15/00/673531500.db2.gz DAMWLLSCWLNDTR-UHFFFAOYSA-N -1 1 367.377 2.408 20 0 FEADMM O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540424066 673538778 /nfs/dbraw/zinc/53/87/78/673538778.db2.gz YXKYXEXEZXCRNU-JTQLQIEISA-N -1 1 363.805 2.034 20 0 FEADMM CN(CC1=CCCOC1)C(=O)c1cc(I)ccc1[O-] ZINC000598197546 673547598 /nfs/dbraw/zinc/54/75/98/673547598.db2.gz MFCYNZFROJYXQK-UHFFFAOYSA-N -1 1 373.190 2.416 20 0 FEADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc(I)c([O-])c1 ZINC000598301131 673557639 /nfs/dbraw/zinc/55/76/39/673557639.db2.gz AWNDQHOBAKHTFN-RYUDHWBXSA-N -1 1 373.190 2.030 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c(C)c1F ZINC000542094806 673561256 /nfs/dbraw/zinc/56/12/56/673561256.db2.gz UJNZPGNQYPPOAY-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOC(C)C)c1ccc2ccccc2c1 ZINC000542121142 673562745 /nfs/dbraw/zinc/56/27/45/673562745.db2.gz MVXXNPNIKVBKFT-QGZVFWFLSA-N -1 1 365.451 2.398 20 0 FEADMM Cn1cccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1=O ZINC000542502642 673587223 /nfs/dbraw/zinc/58/72/23/673587223.db2.gz LJKWNBWRSQFVHQ-UHFFFAOYSA-N -1 1 374.194 2.242 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1 ZINC000542788098 673605492 /nfs/dbraw/zinc/60/54/92/673605492.db2.gz QPBDFYARQIPRBI-UHFFFAOYSA-N -1 1 359.354 2.172 20 0 FEADMM O=C(Nc1ccccc1Br)N1CCC(c2nn[n-]n2)CC1 ZINC000738192510 673607813 /nfs/dbraw/zinc/60/78/13/673607813.db2.gz SBQQBWHOMMUQMK-UHFFFAOYSA-N -1 1 351.208 2.374 20 0 FEADMM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000738253661 673613291 /nfs/dbraw/zinc/61/32/91/673613291.db2.gz FOEGWEMXZYYECO-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM O=S(=O)([N-]CC[C@H]1CCOC1)c1cc(Br)c(F)cc1F ZINC000543181211 673631082 /nfs/dbraw/zinc/63/10/82/673631082.db2.gz IDIORTVNVCUIJN-QMMMGPOBSA-N -1 1 370.215 2.432 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)c1F ZINC000599235661 673645733 /nfs/dbraw/zinc/64/57/33/673645733.db2.gz HVDRXAJQRJFHHY-MRVPVSSYSA-N -1 1 374.365 2.396 20 0 FEADMM CCc1cnccc1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599274521 673651994 /nfs/dbraw/zinc/65/19/94/673651994.db2.gz VTHOOOVKEMJRER-UHFFFAOYSA-N -1 1 370.377 2.187 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(F)c(C)c1)C1CC1 ZINC000599278500 673652528 /nfs/dbraw/zinc/65/25/28/673652528.db2.gz HLDPJDADNJMCQW-CVEARBPZSA-N -1 1 373.446 2.083 20 0 FEADMM COC(=O)[C@]1([N-]S(=O)(=O)Cc2csc(C)n2)CCCC(C)(C)C1 ZINC000599413102 673672118 /nfs/dbraw/zinc/67/21/18/673672118.db2.gz LZLGYXWITZZFQD-HNNXBMFYSA-N -1 1 360.501 2.383 20 0 FEADMM O=S(=O)([N-]c1ccc(OS(=O)(=O)C2CC2)cc1)c1ccccc1 ZINC000742282567 673718604 /nfs/dbraw/zinc/71/86/04/673718604.db2.gz DLBYDBGVHUJISI-UHFFFAOYSA-N -1 1 353.421 2.358 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544760616 673731426 /nfs/dbraw/zinc/73/14/26/673731426.db2.gz KJVOHBHEOYEFSJ-QWRGUYRKSA-N -1 1 359.817 2.335 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CN1c1ccc(F)cc1 ZINC000545121354 673745671 /nfs/dbraw/zinc/74/56/71/673745671.db2.gz OGPMYXCBYXIUCB-CQSZACIVSA-N -1 1 360.366 2.266 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000743269465 673754321 /nfs/dbraw/zinc/75/43/21/673754321.db2.gz PWFTXOFMUGHLMA-UHFFFAOYSA-N -1 1 360.391 2.045 20 0 FEADMM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2F)n(C)c1 ZINC000743415531 673759287 /nfs/dbraw/zinc/75/92/87/673759287.db2.gz DZMHECHWELXZOU-UHFFFAOYSA-N -1 1 369.418 2.153 20 0 FEADMM Fc1ccc(-n2cc(CNC3(c4nn[n-]n4)CCCC3)nn2)cc1Cl ZINC000545328929 673760108 /nfs/dbraw/zinc/76/01/08/673760108.db2.gz CINQPLZTJVYLEL-UHFFFAOYSA-N -1 1 362.800 2.132 20 0 FEADMM CCc1noc([C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000744718062 673808394 /nfs/dbraw/zinc/80/83/94/673808394.db2.gz AJPKAIYYOHEBLF-VIFPVBQESA-N -1 1 371.415 2.220 20 0 FEADMM COC(=O)N[C@@H](CC(C)C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744867946 673814712 /nfs/dbraw/zinc/81/47/12/673814712.db2.gz VQWYNHNLAVUSBZ-HNNXBMFYSA-N -1 1 351.399 2.451 20 0 FEADMM O=S(=O)([N-]C[C@H](O)CCc1ccccc1)c1ccc(Br)o1 ZINC000546781737 673818652 /nfs/dbraw/zinc/81/86/52/673818652.db2.gz YNBLOLGMZPNCIB-GFCCVEGCSA-N -1 1 374.256 2.314 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601314754 673841525 /nfs/dbraw/zinc/84/15/25/673841525.db2.gz PIUJJHPRAHLGPU-KGLIPLIRSA-N -1 1 361.410 2.126 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@@H]1CCC1(F)F)(C(=O)OC)c1ccccc1 ZINC000601340818 673844879 /nfs/dbraw/zinc/84/48/79/673844879.db2.gz XJVIYHZAOWITGO-DZGCQCFKSA-N -1 1 361.410 2.430 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2[O-])C1 ZINC000601385205 673852765 /nfs/dbraw/zinc/85/27/65/673852765.db2.gz KMOZKZUUWAQZMO-GFCCVEGCSA-N -1 1 371.455 2.001 20 0 FEADMM CC(C)(C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000745977869 673859844 /nfs/dbraw/zinc/85/98/44/673859844.db2.gz DEFSXLZTRZEIED-UHFFFAOYSA-N -1 1 353.375 2.412 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000614867411 676194743 /nfs/dbraw/zinc/19/47/43/676194743.db2.gz ANZUTOGOAKQROK-UHFFFAOYSA-N -1 1 362.407 2.007 20 0 FEADMM C[C@@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000746601635 673885663 /nfs/dbraw/zinc/88/56/63/673885663.db2.gz PJXZRIJNJZCLAM-PELKAZGASA-N -1 1 356.213 2.210 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1F ZINC000614873950 676194880 /nfs/dbraw/zinc/19/48/80/676194880.db2.gz OMEXPCWDEUCPRD-UHFFFAOYSA-N -1 1 368.386 2.133 20 0 FEADMM COC(=O)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@@H](OC)C1 ZINC000601660821 673892126 /nfs/dbraw/zinc/89/21/26/673892126.db2.gz TVALYSNCZISXOZ-OGHNNQOOSA-N -1 1 369.845 2.451 20 0 FEADMM COC(=O)C(C)(C)n1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC000601669003 673892949 /nfs/dbraw/zinc/89/29/49/673892949.db2.gz FKZSEAHKYIWIJV-UHFFFAOYSA-N -1 1 351.790 2.331 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000747213695 673912756 /nfs/dbraw/zinc/91/27/56/673912756.db2.gz VNAPIKVSAJTZRW-LLVKDONJSA-N -1 1 360.380 2.228 20 0 FEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(N3CCOC3=O)cc2)[n-]1 ZINC000747246144 673915561 /nfs/dbraw/zinc/91/55/61/673915561.db2.gz AXVOWNRDBXJAJK-UHFFFAOYSA-N -1 1 351.384 2.257 20 0 FEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(N3CCOC3=O)cc2)c[n-]1 ZINC000747246144 673915563 /nfs/dbraw/zinc/91/55/63/673915563.db2.gz AXVOWNRDBXJAJK-UHFFFAOYSA-N -1 1 351.384 2.257 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000747371548 673924193 /nfs/dbraw/zinc/92/41/93/673924193.db2.gz RDFQGOUASZFTLJ-UHFFFAOYSA-N -1 1 363.439 2.411 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)C(F)(F)F ZINC000548147161 673928447 /nfs/dbraw/zinc/92/84/47/673928447.db2.gz TYSCAHPJPRXQDV-QMMMGPOBSA-N -1 1 353.288 2.455 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1c(Cl)nc2ccccn21 ZINC000747473843 673930394 /nfs/dbraw/zinc/93/03/94/673930394.db2.gz MGVLNLFDCSNZKW-LBPRGKRZSA-N -1 1 353.773 2.020 20 0 FEADMM O=C(CSc1ccc(F)c(F)c1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000747472231 673930452 /nfs/dbraw/zinc/93/04/52/673930452.db2.gz XDKMGMHIBZFRKR-HNNXBMFYSA-N -1 1 361.377 2.476 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1 ZINC000548477943 673961816 /nfs/dbraw/zinc/96/18/16/673961816.db2.gz BGVVHOKWMLUGSI-UHFFFAOYSA-N -1 1 353.371 2.351 20 0 FEADMM O=C([O-])C1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CCC1 ZINC000548838177 674000327 /nfs/dbraw/zinc/00/03/27/674000327.db2.gz PTLLRNAOPFGDRC-UHFFFAOYSA-N -1 1 370.171 2.013 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000615216946 676207593 /nfs/dbraw/zinc/20/75/93/676207593.db2.gz GEGLUJIZIUKNPI-UHFFFAOYSA-N -1 1 357.819 2.268 20 0 FEADMM O=C1CC[C@@H](c2cccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)c2)N1 ZINC000566607758 675228125 /nfs/dbraw/zinc/22/81/25/675228125.db2.gz HJRVSXZNVVRFLZ-KRWDZBQOSA-N -1 1 358.419 2.469 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)[C@H](C)C(=O)[O-] ZINC000566662909 675232634 /nfs/dbraw/zinc/23/26/34/675232634.db2.gz SEJOTNPRCOJUAK-NTSWFWBYSA-N -1 1 372.187 2.115 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/[C@@H]2CCCO2)c1 ZINC000819456544 675291826 /nfs/dbraw/zinc/29/18/26/675291826.db2.gz BDIQNWSXVOTWBO-RSPDNQDQSA-N -1 1 368.455 2.096 20 0 FEADMM COC(=O)N1CCC(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CC1 ZINC000819881480 675318545 /nfs/dbraw/zinc/31/85/45/675318545.db2.gz JQZZAZAJRFJHMA-UHFFFAOYSA-N -1 1 362.398 2.030 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1nc2ccccc2s1 ZINC000567769940 675320416 /nfs/dbraw/zinc/32/04/16/675320416.db2.gz UBQMUDXKUQNHHF-NSHDSACASA-N -1 1 352.437 2.019 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1nc2ccccc2s1)CC1CC1 ZINC000568034437 675346004 /nfs/dbraw/zinc/34/60/04/675346004.db2.gz SVJZQHVEEVNVHY-NSHDSACASA-N -1 1 354.453 2.164 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccccc1OC(F)F ZINC000820784915 675387568 /nfs/dbraw/zinc/38/75/68/675387568.db2.gz CSUIIIVTLZMAHM-JTQLQIEISA-N -1 1 356.416 2.301 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cnoc3C3CC3)n2)cc1 ZINC000568707422 675393253 /nfs/dbraw/zinc/39/32/53/675393253.db2.gz LRRVXXXQRJNODD-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3cnoc3C3CC3)n[n-]2)cc1 ZINC000568707422 675393255 /nfs/dbraw/zinc/39/32/55/675393255.db2.gz LRRVXXXQRJNODD-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000821980162 675462235 /nfs/dbraw/zinc/46/22/35/675462235.db2.gz JJMOFHDUUAUQIB-ZETCQYMHSA-N -1 1 352.259 2.410 20 0 FEADMM CC1(CC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)COC1 ZINC000823127665 675530897 /nfs/dbraw/zinc/53/08/97/675530897.db2.gz MFQXVYNCFBYGKB-GFCCVEGCSA-N -1 1 356.344 2.049 20 0 FEADMM CC1CC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)(c2cccc(Cl)c2)C1 ZINC000823192618 675535271 /nfs/dbraw/zinc/53/52/71/675535271.db2.gz XPXCIUPXSLVACI-WKXXDYOBSA-N -1 1 361.833 2.121 20 0 FEADMM C[C@H](Sc1nc2ccccc2s1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824763586 675620803 /nfs/dbraw/zinc/62/08/03/675620803.db2.gz NRUYEIXPOZDLNN-ZETCQYMHSA-N -1 1 372.439 2.076 20 0 FEADMM CCS(=O)(=O)C[C@@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011047 675633514 /nfs/dbraw/zinc/63/35/14/675633514.db2.gz CCYUPBTXNYXCTP-LLVKDONJSA-N -1 1 366.405 2.409 20 0 FEADMM C[C@@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)N1CCc2ccccc21 ZINC000825438635 675653129 /nfs/dbraw/zinc/65/31/29/675653129.db2.gz YHBPLWLLIAEKLV-LBPRGKRZSA-N -1 1 353.451 2.199 20 0 FEADMM C[C@H]1CCN(Cc2cn(C3CCC3)nn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000825939421 675675203 /nfs/dbraw/zinc/67/52/03/675675203.db2.gz ALGNGVURASUTFC-MJVIPROJSA-N -1 1 359.396 2.281 20 0 FEADMM CCOC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000827598293 675767172 /nfs/dbraw/zinc/76/71/72/675767172.db2.gz OREGNIAJRYWDMO-ZDUSSCGKSA-N -1 1 362.411 2.048 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)C(=O)OC(C)(C)C ZINC000828222063 675807399 /nfs/dbraw/zinc/80/73/99/675807399.db2.gz KOXYBRBVRMQALC-LSDHHAIUSA-N -1 1 357.472 2.414 20 0 FEADMM O=C(COc1ccc(Cl)cc1Cl)NC1(c2nn[n-]n2)CCCC1 ZINC000605381421 675812246 /nfs/dbraw/zinc/81/22/46/675812246.db2.gz ODAUFESVVDSOGE-UHFFFAOYSA-N -1 1 356.213 2.471 20 0 FEADMM CC(C)CCOCCNC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000605447849 675815107 /nfs/dbraw/zinc/81/51/07/675815107.db2.gz SPQLYZGTIWTJPK-UHFFFAOYSA-N -1 1 367.393 2.472 20 0 FEADMM CSc1ccc(CCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000828688215 675837310 /nfs/dbraw/zinc/83/73/10/675837310.db2.gz DSVGMWITKPQIGV-UHFFFAOYSA-N -1 1 359.451 2.226 20 0 FEADMM O=S(=O)([N-]c1ccc2nccn2c1)c1cnn(Cc2ccccc2)c1 ZINC000606753233 675840614 /nfs/dbraw/zinc/84/06/14/675840614.db2.gz VDYCMDIVOHFACY-UHFFFAOYSA-N -1 1 353.407 2.380 20 0 FEADMM COc1cc(NC(=O)NCCc2ccc(C)o2)ccc1[N-]S(C)(=O)=O ZINC000607208169 675860942 /nfs/dbraw/zinc/86/09/42/675860942.db2.gz UYUHQILVTKOKET-UHFFFAOYSA-N -1 1 367.427 2.332 20 0 FEADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(-n2nnnc2C)ccc1F ZINC000607615178 675870989 /nfs/dbraw/zinc/87/09/89/675870989.db2.gz 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/nfs/dbraw/zinc/67/47/97/679674797.db2.gz ONZGVBHNIFHDJH-UHFFFAOYSA-N -1 1 366.439 2.499 20 0 FEADMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871350 676509083 /nfs/dbraw/zinc/50/90/83/676509083.db2.gz YTNVDAYOJGXMGV-LLVKDONJSA-N -1 1 361.789 2.176 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)CSc3cc(C)ccc3C)nc2n1 ZINC000622994907 676514890 /nfs/dbraw/zinc/51/48/90/676514890.db2.gz HMAQQOBOHZJPLL-UHFFFAOYSA-N -1 1 357.439 2.328 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c1F ZINC000625328776 676639707 /nfs/dbraw/zinc/63/97/07/676639707.db2.gz XGDNDCBRZMFMIV-NSHDSACASA-N -1 1 367.324 2.113 20 0 FEADMM CCC(F)(F)C[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000625454388 676649525 /nfs/dbraw/zinc/64/95/25/676649525.db2.gz ZOTLPFHFQQGHJV-CQSZACIVSA-N -1 1 360.426 2.256 20 0 FEADMM Cc1cc(C2([N-]S(=O)(=O)c3nc(C)c(C)s3)CCOCC2)on1 ZINC000625654032 676665166 /nfs/dbraw/zinc/66/51/66/676665166.db2.gz WTPIYDBTZPMPAD-UHFFFAOYSA-N -1 1 357.457 2.041 20 0 FEADMM CCO[C@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-])C1CC1 ZINC000626338455 676700983 /nfs/dbraw/zinc/70/09/83/676700983.db2.gz AUVDJPSYNZONSA-INIZCTEOSA-N -1 1 370.471 2.176 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC000628911014 676823592 /nfs/dbraw/zinc/82/35/92/676823592.db2.gz WJAWLUOKZYPRNE-UHFFFAOYSA-N -1 1 357.439 2.078 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000630223800 676887971 /nfs/dbraw/zinc/88/79/71/676887971.db2.gz WQMWBWPGGSDYSC-UHFFFAOYSA-N -1 1 356.875 2.440 20 0 FEADMM Cc1cc(O[C@@H](C)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1Cl ZINC000630223149 676887992 /nfs/dbraw/zinc/88/79/92/676887992.db2.gz KGUIRLCCPXSAIV-KGLIPLIRSA-N -1 1 368.861 2.423 20 0 FEADMM Cc1cc(Cl)ccc1OCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224980 676888362 /nfs/dbraw/zinc/88/83/62/676888362.db2.gz RTIMZLWFEJQDFI-ZDUSSCGKSA-N -1 1 354.834 2.035 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000630225313 676888372 /nfs/dbraw/zinc/88/83/72/676888372.db2.gz QSAVSFQQMVFEFV-MRVWCRGKSA-N -1 1 352.381 2.076 20 0 FEADMM Cc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1N1CCOCC1 ZINC000630802432 676922386 /nfs/dbraw/zinc/92/23/86/676922386.db2.gz HNIXZEPKHBEYDG-UHFFFAOYSA-N -1 1 355.320 2.221 20 0 FEADMM CN(C(=O)[C@H]1CSCN1C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630870041 676924694 /nfs/dbraw/zinc/92/46/94/676924694.db2.gz ZDHCECODQZZNLE-CYBMUJFWSA-N -1 1 354.859 2.110 20 0 FEADMM CCN1CCN(C(=O)[C@@H](C)Sc2nc(C)c(C3CC3)c(=O)[n-]2)CC1 ZINC000631024933 676929788 /nfs/dbraw/zinc/92/97/88/676929788.db2.gz KAPOMTWIIMDACU-GFCCVEGCSA-N -1 1 350.488 2.013 20 0 FEADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000631469945 676945865 /nfs/dbraw/zinc/94/58/65/676945865.db2.gz QBWKIOFWNILWEU-UKRRQHHQSA-N -1 1 359.875 2.402 20 0 FEADMM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1ccc(C(F)F)o1 ZINC000631760893 676955753 /nfs/dbraw/zinc/95/57/53/676955753.db2.gz KGUKJXIAJSLBEJ-UHFFFAOYSA-N -1 1 361.322 2.303 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1cccs1 ZINC000631855426 676960460 /nfs/dbraw/zinc/96/04/60/676960460.db2.gz HURJQYYTVVLNMH-UHFFFAOYSA-N -1 1 364.395 2.377 20 0 FEADMM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3cc(C)ns3)C2)c1 ZINC000631882740 676961903 /nfs/dbraw/zinc/96/19/03/676961903.db2.gz KZARMJVKEYTPJK-CYBMUJFWSA-N -1 1 367.496 2.265 20 0 FEADMM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631930388 676964702 /nfs/dbraw/zinc/96/47/02/676964702.db2.gz IHHVHWBSSXAIQE-LBPRGKRZSA-N -1 1 372.393 2.195 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]CCCC(=O)N2Cc3ccccc3C2)sn1 ZINC000631945131 676965813 /nfs/dbraw/zinc/96/58/13/676965813.db2.gz PVGUIRCTPDTWPG-UHFFFAOYSA-N -1 1 365.480 2.052 20 0 FEADMM COC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CCC1 ZINC000631975582 676967979 /nfs/dbraw/zinc/96/79/79/676967979.db2.gz MGIICYISQKOIGB-UHFFFAOYSA-N -1 1 371.846 2.379 20 0 FEADMM CN(C(=O)C[N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CCCCC1 ZINC000632067759 676973961 /nfs/dbraw/zinc/97/39/61/676973961.db2.gz 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O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CN1c1ccccc1F ZINC000632352296 676989792 /nfs/dbraw/zinc/98/97/92/676989792.db2.gz CIURGQVGVSVOKT-SECBINFHSA-N -1 1 374.340 2.440 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)no1 ZINC000632479404 676996742 /nfs/dbraw/zinc/99/67/42/676996742.db2.gz CHHFYXRVBAEGOB-RXMQYKEDSA-N -1 1 357.260 2.406 20 0 FEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)c2ncnn21 ZINC000632548016 677001312 /nfs/dbraw/zinc/00/13/12/677001312.db2.gz CBQSCDLPAGPVIN-PWSUYJOCSA-N -1 1 361.452 2.386 20 0 FEADMM O=S(=O)([N-]C[C@H](n1cncn1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000632644220 677007685 /nfs/dbraw/zinc/00/76/85/677007685.db2.gz AWHGYQICIHODGU-JTQLQIEISA-N -1 1 372.731 2.153 20 0 FEADMM O=S(=O)([N-]C[C@@H](n1cncn1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000632644221 677007717 /nfs/dbraw/zinc/00/77/17/677007717.db2.gz AWHGYQICIHODGU-SNVBAGLBSA-N -1 1 372.731 2.153 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H](O)C(F)(F)F ZINC000632672480 677009522 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COc1ccc(NC(=O)/C=C\c2ncccc2C)cc1[N-]S(C)(=O)=O ZINC000759418838 680648045 /nfs/dbraw/zinc/64/80/45/680648045.db2.gz UOHKBQBQTIBUHK-CLFYSBASSA-N -1 1 361.423 2.422 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000759919699 680672004 /nfs/dbraw/zinc/67/20/04/680672004.db2.gz HQTWHWCPJPYOOS-UHFFFAOYSA-N -1 1 368.220 2.039 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)ccc1F ZINC000760322101 680682915 /nfs/dbraw/zinc/68/29/15/680682915.db2.gz VUMRRZOGOLGGNR-UHFFFAOYSA-N -1 1 352.391 2.494 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)n1 ZINC000841222482 680869737 /nfs/dbraw/zinc/86/97/37/680869737.db2.gz WRHHBDHJQFVXJE-UHFFFAOYSA-N -1 1 354.407 2.076 20 0 FEADMM COc1ccc(OCCCS(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC000766369737 680874980 /nfs/dbraw/zinc/87/49/80/680874980.db2.gz DILFPAXXKUTSQS-UHFFFAOYSA-N -1 1 361.370 2.498 20 0 FEADMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]C2CCC2)c1 ZINC000841527508 680892227 /nfs/dbraw/zinc/89/22/27/680892227.db2.gz PJQZMXPUAFFQOV-UHFFFAOYSA-N -1 1 366.208 2.206 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000767081369 680898202 /nfs/dbraw/zinc/89/82/02/680898202.db2.gz GQCIUCBBMYPUAX-UHFFFAOYSA-N -1 1 357.395 2.372 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCC(Cl)(Cl)Cl)o1 ZINC000767479744 680913440 /nfs/dbraw/zinc/91/34/40/680913440.db2.gz DFIHDVONKQPAOM-UHFFFAOYSA-N -1 1 350.607 2.105 20 0 FEADMM O=C(OCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)c([O-])c1 ZINC000767576050 680917191 /nfs/dbraw/zinc/91/71/91/680917191.db2.gz OGHPPAUPEZKSOC-TXEJJXNPSA-N -1 1 356.216 2.175 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cnc1Cl ZINC000767706425 680923194 /nfs/dbraw/zinc/92/31/94/680923194.db2.gz UDTUVVDPLRWWIW-UHFFFAOYSA-N -1 1 365.802 2.330 20 0 FEADMM O=C(COC(=O)Cc1cc(F)c(F)cc1F)[N-]C(=O)c1ccccc1 ZINC000768076121 680937362 /nfs/dbraw/zinc/93/73/62/680937362.db2.gz JUZXDARAVKIECI-UHFFFAOYSA-N -1 1 351.280 2.146 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ncc(Br)cc1F)C1CC1 ZINC000842795108 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CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c([O-])cccc2Cl)[C@H](O)C1 ZINC000871175272 684793869 /nfs/dbraw/zinc/79/38/69/684793869.db2.gz BBRXIXIXKKSNJH-DGCLKSJQSA-N -1 1 370.833 2.146 20 0 FEADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)c1ccc(Br)cc1[O-] ZINC000871391663 684811046 /nfs/dbraw/zinc/81/10/46/684811046.db2.gz FXQMZABZSHEDDG-CQSZACIVSA-N -1 1 367.243 2.271 20 0 FEADMM Cc1oc(C)c(S(=O)(=O)NCC(C)(C)N2CCCCC2)c1C(=O)[O-] ZINC000871803647 684857864 /nfs/dbraw/zinc/85/78/64/684857864.db2.gz MLGFZYJPBMGDKY-UHFFFAOYSA-N -1 1 358.460 2.137 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)sc1C(=O)[O-] ZINC000871834499 684865397 /nfs/dbraw/zinc/86/53/97/684865397.db2.gz QMFNGPKMXVWGPW-LBPRGKRZSA-N -1 1 358.485 2.004 20 0 FEADMM Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c(C)c1C(=O)[O-] ZINC000871867092 684868923 /nfs/dbraw/zinc/86/89/23/684868923.db2.gz BAMASRMMZJIEIR-OAHLLOKOSA-N -1 1 366.483 2.251 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)CC1CCCCC1 ZINC000871874408 684871746 /nfs/dbraw/zinc/87/17/46/684871746.db2.gz NDZVWIJLQMKAKS-UHFFFAOYSA-N -1 1 372.487 2.419 20 0 FEADMM CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)C[C@@H]1C ZINC000871887582 684873378 /nfs/dbraw/zinc/87/33/78/684873378.db2.gz VDGHWBHHSPPTKX-ZFWWWQNUSA-N -1 1 368.499 2.495 20 0 FEADMM CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H]1C ZINC000871887642 684873453 /nfs/dbraw/zinc/87/34/53/684873453.db2.gz WVBQEZYYJLLCTQ-VXGBXAGGSA-N -1 1 358.435 2.017 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N(CCN(C)C)C(C)C)c(C)c1CC(=O)[O-] ZINC000871923440 684882736 /nfs/dbraw/zinc/88/27/36/684882736.db2.gz SENXCHGALORBSU-UHFFFAOYSA-N -1 1 370.515 2.200 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000871942655 684889588 /nfs/dbraw/zinc/88/95/88/684889588.db2.gz WYPAHGQSPXGLRS-ZDUSSCGKSA-N -1 1 374.890 2.498 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1CCCCC1 ZINC000871946460 684890740 /nfs/dbraw/zinc/89/07/40/684890740.db2.gz SIGCQQZCQCSJFA-LLVKDONJSA-N -1 1 374.890 2.499 20 0 FEADMM CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000871954597 684893484 /nfs/dbraw/zinc/89/34/84/684893484.db2.gz MIZKROPFIPNBBV-ZDUSSCGKSA-N -1 1 374.890 2.451 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000871960771 684894617 /nfs/dbraw/zinc/89/46/17/684894617.db2.gz IEZLZSNUEFFIDJ-PWSUYJOCSA-N -1 1 358.485 2.002 20 0 FEADMM CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000871961701 684895184 /nfs/dbraw/zinc/89/51/84/684895184.db2.gz OIRJEBUGEMMSLD-LBPRGKRZSA-N -1 1 374.890 2.499 20 0 FEADMM CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000871971557 684899382 /nfs/dbraw/zinc/89/93/82/684899382.db2.gz RIJUIQWKFVVBQQ-LBPRGKRZSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000871979515 684902378 /nfs/dbraw/zinc/90/23/78/684902378.db2.gz NISOOYCKYAVOIZ-LSDHHAIUSA-N -1 1 370.446 2.128 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)cc1F ZINC000871993422 684906665 /nfs/dbraw/zinc/90/66/65/684906665.db2.gz KCSYBYRAPYJGFQ-ZDUSSCGKSA-N -1 1 370.446 2.209 20 0 FEADMM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cn1 ZINC000872449565 684951663 /nfs/dbraw/zinc/95/16/63/684951663.db2.gz LWXBBDJCWZVIJU-MQJDWESPSA-N -1 1 350.510 2.256 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1([C@@H](O)c2ccccc2)CC1 ZINC000872467973 684957297 /nfs/dbraw/zinc/95/72/97/684957297.db2.gz ZIXPSJQEEFRIQS-PSLXWICFSA-N -1 1 374.528 2.231 20 0 FEADMM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1 ZINC000872492212 684964445 /nfs/dbraw/zinc/96/44/45/684964445.db2.gz CIJHNAOYEOYXAL-VVYDWRJNSA-N -1 1 360.501 2.282 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccnc(C(F)(F)F)c1 ZINC000872493384 684964838 /nfs/dbraw/zinc/96/48/38/684964838.db2.gz SPDUDWWTGXOCDA-QFIPXVFZSA-N -1 1 373.422 2.331 20 0 FEADMM COc1ccccc1C1([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872500164 684966301 /nfs/dbraw/zinc/96/63/01/684966301.db2.gz IVMVGYSTOSBQKA-QFIPXVFZSA-N -1 1 360.501 2.415 20 0 FEADMM Cn1cc(CC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c2ccccc21 ZINC000872504045 684967682 /nfs/dbraw/zinc/96/76/82/684967682.db2.gz CLEOIUPKMKQYCL-HSZRJFAPSA-N -1 1 371.528 2.452 20 0 FEADMM O=C([O-])[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1cccc(C(F)(F)F)c1 ZINC000910381116 685044624 /nfs/dbraw/zinc/04/46/24/685044624.db2.gz UVFZEMKPGJMIPY-LBPRGKRZSA-N -1 1 353.300 2.473 20 0 FEADMM O=C(NCCN1C[C@H]2CCCCN2C1=O)NCc1ccc([O-])c(Cl)c1 ZINC000873073134 685064910 /nfs/dbraw/zinc/06/49/10/685064910.db2.gz KCGXNLNHUOSOGH-CYBMUJFWSA-N -1 1 366.849 2.135 20 0 FEADMM COCCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCN1C(C)C ZINC000910695013 685101504 /nfs/dbraw/zinc/10/15/04/685101504.db2.gz NUEFHOPYANLHSS-OAHLLOKOSA-N -1 1 350.415 2.221 20 0 FEADMM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cc(C(F)(F)F)[nH]n2)c1 ZINC000910775152 685116853 /nfs/dbraw/zinc/11/68/53/685116853.db2.gz SAYWHNWQXXNQOM-GFCCVEGCSA-N -1 1 357.288 2.335 20 0 FEADMM CSC[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000910876918 685133728 /nfs/dbraw/zinc/13/37/28/685133728.db2.gz BCXJYNWQJOXYAW-WMLDXEAASA-N -1 1 364.511 2.262 20 0 FEADMM CSC[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000910876917 685133781 /nfs/dbraw/zinc/13/37/81/685133781.db2.gz BCXJYNWQJOXYAW-RHSMWYFYSA-N -1 1 364.511 2.262 20 0 FEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)C1 ZINC000911021134 685151603 /nfs/dbraw/zinc/15/16/03/685151603.db2.gz YUDXVEWEJOICPW-KOLCDFICSA-N -1 1 359.348 2.331 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)CCSCC(=O)[O-])N1CCCC1 ZINC000911103521 685164231 /nfs/dbraw/zinc/16/42/31/685164231.db2.gz OOBGKNKXFOSODR-HNNXBMFYSA-N -1 1 366.483 2.156 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2csc(C3CC3)n2)co1 ZINC000873589190 685166201 /nfs/dbraw/zinc/16/62/01/685166201.db2.gz ICWLTQBMOKHVHC-QMMMGPOBSA-N -1 1 356.425 2.440 20 0 FEADMM CC[C@H](C(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000911350495 685201410 /nfs/dbraw/zinc/20/14/10/685201410.db2.gz HNOCPZHJMZZGGT-INIZCTEOSA-N -1 1 367.877 2.079 20 0 FEADMM CC(C)(CCC(=O)[O-])C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000911497579 685217957 /nfs/dbraw/zinc/21/79/57/685217957.db2.gz WIROHFWAYDRFMA-UHFFFAOYSA-N -1 1 354.491 2.276 20 0 FEADMM CCOC1CC2(C[C@@H]2NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000874794720 685671591 /nfs/dbraw/zinc/67/15/91/685671591.db2.gz PQTYWSBUNCJASZ-XKZABGERSA-N -1 1 351.472 2.219 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2(C)CC(F)(F)C2)o1 ZINC000874856993 685683061 /nfs/dbraw/zinc/68/30/61/685683061.db2.gz SLMMQALQNWUHML-UHFFFAOYSA-N -1 1 350.387 2.274 20 0 FEADMM C[C@H](CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000875149212 685742115 /nfs/dbraw/zinc/74/21/15/685742115.db2.gz OZAAGKCBVWGJGF-SNVBAGLBSA-N -1 1 361.339 2.249 20 0 FEADMM CC[C@@H](NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1c(C)noc1C ZINC000875428519 686010074 /nfs/dbraw/zinc/01/00/74/686010074.db2.gz LJYAHGDVKXYTNO-LLVKDONJSA-N -1 1 362.352 2.062 20 0 FEADMM CCOC(=O)[C@@H](CCOC)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875666779 686060822 /nfs/dbraw/zinc/06/08/22/686060822.db2.gz GEBOXIYJZRRJPQ-GFCCVEGCSA-N -1 1 351.296 2.141 20 0 FEADMM Cc1nccc(N2CCN(C(=O)NCc3ccc([O-])c(Cl)c3)CC2)n1 ZINC000876395398 686196094 /nfs/dbraw/zinc/19/60/94/686196094.db2.gz HPPWSRSDIYNKHG-UHFFFAOYSA-N -1 1 361.833 2.176 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Nc2cccc3c2OCC3)C1 ZINC000880165637 687009229 /nfs/dbraw/zinc/00/92/29/687009229.db2.gz SUWSCEDAKUBBSU-OAHLLOKOSA-N -1 1 357.332 2.296 20 0 FEADMM CSc1nc(CNC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)cc(=O)[n-]1 ZINC000880651038 687071279 /nfs/dbraw/zinc/07/12/79/687071279.db2.gz DGQBEKAXZBHEID-QGZVFWFLSA-N -1 1 358.423 2.104 20 0 FEADMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccn2ccnc2c1)C1CCCCC1 ZINC000881991979 687280266 /nfs/dbraw/zinc/28/02/66/687280266.db2.gz YLCXVCODICKISX-QHCPKHFHSA-N -1 1 370.500 2.099 20 0 FEADMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882242756 687333264 /nfs/dbraw/zinc/33/32/64/687333264.db2.gz PFMDGEXZIWERMD-VIFPVBQESA-N -1 1 358.769 2.457 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)c1ccns1 ZINC000882464947 687370777 /nfs/dbraw/zinc/37/07/77/687370777.db2.gz RBVGJSVOJBRSPK-RKFFSXRUSA-N -1 1 374.513 2.042 20 0 FEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2(C)CC(F)(F)C2)c1F ZINC000882574370 687400102 /nfs/dbraw/zinc/40/01/02/687400102.db2.gz HWDUMPMUGXTIBE-UHFFFAOYSA-N -1 1 369.336 2.465 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccoc1)c1cc(Cl)cnc1Cl ZINC000882640455 687422655 /nfs/dbraw/zinc/42/26/55/687422655.db2.gz BKLROPONFPMFKI-JTQLQIEISA-N -1 1 365.238 2.111 20 0 FEADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000882667496 687434021 /nfs/dbraw/zinc/43/40/21/687434021.db2.gz KQYXFJDHDNPOHY-JOCHJYFZSA-N -1 1 353.469 2.170 20 0 FEADMM CC(C)CCOc1cccc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)c1 ZINC000882681613 687440894 /nfs/dbraw/zinc/44/08/94/687440894.db2.gz ARBPBEPJNZPZIU-QFIPXVFZSA-N -1 1 363.505 2.343 20 0 FEADMM COc1cc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)cc(Cl)c1[O-] ZINC000884861204 687950606 /nfs/dbraw/zinc/95/06/06/687950606.db2.gz PZFHPIONADIZJG-SNVBAGLBSA-N -1 1 372.805 2.335 20 0 FEADMM O=S(=O)([N-]Cc1cccc(COC[C@@H]2CCCO2)c1)c1ccns1 ZINC000885310009 688055275 /nfs/dbraw/zinc/05/52/75/688055275.db2.gz ZRJGHIHDHAJSAC-HNNXBMFYSA-N -1 1 368.480 2.317 20 0 FEADMM Cc1cnc(Cl)c(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000885316303 688056284 /nfs/dbraw/zinc/05/62/84/688056284.db2.gz MTDWKMCZQYHWHA-JTQLQIEISA-N -1 1 368.768 2.322 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CF)c(Br)cc1F ZINC000885414391 688069326 /nfs/dbraw/zinc/06/93/26/688069326.db2.gz YQMHUUHLJGIACB-LURJTMIESA-N -1 1 372.187 2.011 20 0 FEADMM CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885680640 688125681 /nfs/dbraw/zinc/12/56/81/688125681.db2.gz VBVCFNXMOLVMBC-SNVBAGLBSA-N -1 1 358.797 2.398 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@H]1CCCOC1 ZINC000885749734 688150724 /nfs/dbraw/zinc/15/07/24/688150724.db2.gz FDXXFQNOENXOLI-GWCFXTLKSA-N -1 1 351.827 2.199 20 0 FEADMM COC[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000885814427 688162822 /nfs/dbraw/zinc/16/28/22/688162822.db2.gz QNVCRNOELDGRPB-GFCCVEGCSA-N -1 1 360.476 2.005 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC2(CC1)C[C@H](O)CCO2 ZINC000886117538 688205549 /nfs/dbraw/zinc/20/55/49/688205549.db2.gz JYGKZZPQLSKWGD-GFCCVEGCSA-N -1 1 370.243 2.301 20 0 FEADMM CC(C)n1cnnc1SCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886263436 688222155 /nfs/dbraw/zinc/22/21/55/688222155.db2.gz WIWGQXVKXFBBOJ-UHFFFAOYSA-N -1 1 356.398 2.294 20 0 FEADMM CSCc1noc(CCC(=O)NCCc2c(F)cc([O-])cc2F)n1 ZINC000886266309 688222686 /nfs/dbraw/zinc/22/26/86/688222686.db2.gz GYXAYQXFLUQJJD-UHFFFAOYSA-N -1 1 357.382 2.208 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@@H]([C@H]2CCCO2)C1 ZINC000886386438 688240577 /nfs/dbraw/zinc/24/05/77/688240577.db2.gz XJMQSZBXEPBEQT-HFBAOOFYSA-N -1 1 351.374 2.104 20 0 FEADMM COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)c2c([O-])cccc2Cl)O1 ZINC000886445259 688260318 /nfs/dbraw/zinc/26/03/18/688260318.db2.gz ALHPBNHYYFDMJB-WHOFXGATSA-N -1 1 355.818 2.081 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1(=O)=O ZINC000887179379 688379145 /nfs/dbraw/zinc/37/91/45/688379145.db2.gz GSGJLYFKCCIDDC-SCZZXKLOSA-N -1 1 351.346 2.107 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000887799150 688494438 /nfs/dbraw/zinc/49/44/38/688494438.db2.gz AQHCTMJDWRKQSH-DGCLKSJQSA-N -1 1 355.818 2.322 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000888127464 688551217 /nfs/dbraw/zinc/55/12/17/688551217.db2.gz YNXXCRQMJSSJBI-KRWDZBQOSA-N -1 1 370.833 2.147 20 0 FEADMM CC1(C)C[C@H](NC(=O)c2c([O-])cnc3c(F)cccc32)CCS1(=O)=O ZINC000888378309 688595815 /nfs/dbraw/zinc/59/58/15/688595815.db2.gz QJCIRGYVEIXDQD-SNVBAGLBSA-N -1 1 366.414 2.165 20 0 FEADMM COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000889863264 688843277 /nfs/dbraw/zinc/84/32/77/688843277.db2.gz CCUKBYNVRQOTFV-GFCCVEGCSA-N -1 1 363.801 2.223 20 0 FEADMM COCc1nc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000892006817 689138819 /nfs/dbraw/zinc/13/88/19/689138819.db2.gz BONOGFFLQUMKHA-LBPRGKRZSA-N -1 1 352.435 2.070 20 0 FEADMM CC(C)(C)N1CC[C@](F)(C(=O)[N-]S(=O)(=O)CCCC(C)(F)F)C1 ZINC000893802864 689406921 /nfs/dbraw/zinc/40/69/21/689406921.db2.gz ZVDCPFJASITGIG-CQSZACIVSA-N -1 1 358.426 2.080 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC(C)(F)F)N1CCCCC1 ZINC000893805449 689407489 /nfs/dbraw/zinc/40/74/89/689407489.db2.gz NLPVOLFUNWLYFW-ZDUSSCGKSA-N -1 1 354.463 2.378 20 0 FEADMM COC(=O)[C@H](C[C@H]1CCCO1)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000894936176 689623938 /nfs/dbraw/zinc/62/39/38/689623938.db2.gz XZZXMDPYZFNTKC-SKDRFNHKSA-N -1 1 363.307 2.284 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NCc2c(F)cncc2Br)n[n-]1 ZINC000895241573 689682482 /nfs/dbraw/zinc/68/24/82/689682482.db2.gz MTVTXQAWZILPBG-SSDOTTSWSA-N -1 1 372.198 2.129 20 0 FEADMM 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CC(C)OC(=O)C[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000906570952 691285595 /nfs/dbraw/zinc/28/55/95/691285595.db2.gz ITWHLLOWKBBUIN-UHFFFAOYSA-N -1 1 351.147 2.004 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000906867777 691331947 /nfs/dbraw/zinc/33/19/47/691331947.db2.gz JQVPZKSYHIYDHG-CYBMUJFWSA-N -1 1 372.462 2.375 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H](c1ccccc1)N(C)C ZINC000906933748 691347948 /nfs/dbraw/zinc/34/79/48/691347948.db2.gz BZYKPVFIKGGUPN-IAQYHMDHSA-N -1 1 368.480 2.416 20 0 FEADMM CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000907008796 691368321 /nfs/dbraw/zinc/36/83/21/691368321.db2.gz VMRCIMFNLWGBGP-LBPRGKRZSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000907063198 691384410 /nfs/dbraw/zinc/38/44/10/691384410.db2.gz RTFPIAOXWDAFMD-ZDUSSCGKSA-N -1 1 370.446 2.128 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)ccc1Cl ZINC000907063833 691384554 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O=C(CCCc1c(F)cccc1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480259 691497366 /nfs/dbraw/zinc/49/73/66/691497366.db2.gz ODPGFFSSKKSYIA-CYBMUJFWSA-N -1 1 353.398 2.117 20 0 FEADMM Cc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)ccc1OC(F)(F)F ZINC000907481853 691497709 /nfs/dbraw/zinc/49/77/09/691497709.db2.gz LVIGZMIPSGFAPY-JTQLQIEISA-N -1 1 373.360 2.337 20 0 FEADMM CCCCC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000907935751 691586398 /nfs/dbraw/zinc/58/63/98/691586398.db2.gz KNQYEFNAOYTVSS-UHFFFAOYSA-N -1 1 364.464 2.198 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)co2)c(C(F)(F)F)n1 ZINC000907954397 691589331 /nfs/dbraw/zinc/58/93/31/691589331.db2.gz YDTPFAQMHLNXES-UHFFFAOYSA-N -1 1 366.365 2.203 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[n-]c1=O ZINC000908012672 691598362 /nfs/dbraw/zinc/59/83/62/691598362.db2.gz ODZYHOYKULYRIZ-GFCCVEGCSA-N -1 1 369.830 2.370 20 0 FEADMM CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)s1 ZINC000908017750 691599242 /nfs/dbraw/zinc/59/92/42/691599242.db2.gz 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CCc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n[n-]1 ZINC000086170339 542734981 /nfs/dbraw/zinc/73/49/81/542734981.db2.gz ZYHKCUMFFPKGAD-VIFPVBQESA-N -1 1 365.390 2.400 20 0 FEADMM Cc1cccc(N2CCN(C(=O)CSc3nc(C)c(C)c(=O)[n-]3)CC2)c1 ZINC000096641688 543000324 /nfs/dbraw/zinc/00/03/24/543000324.db2.gz VVRYYYYVIYICRJ-UHFFFAOYSA-N -1 1 372.494 2.136 20 0 FEADMM Cc1nn2cccnc2c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000102466957 543070769 /nfs/dbraw/zinc/07/07/69/543070769.db2.gz PAKAKBSIUMNYND-UHFFFAOYSA-N -1 1 364.405 2.478 20 0 FEADMM CCN(C1CCCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932707 543085732 /nfs/dbraw/zinc/08/57/32/543085732.db2.gz SLHSCFCGCVMDFU-UHFFFAOYSA-N -1 1 364.464 2.150 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000103941507 543118590 /nfs/dbraw/zinc/11/85/90/543118590.db2.gz POLRLPGUCQSJJX-HXUWFJFHSA-N -1 1 350.422 2.449 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000103943402 543119268 /nfs/dbraw/zinc/11/92/68/543119268.db2.gz AQJLGXHPDKPHSH-AWEZNQCLSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000104845564 543146452 /nfs/dbraw/zinc/14/64/52/543146452.db2.gz NWZQPHIMKJBDPA-UHFFFAOYSA-N -1 1 362.393 2.006 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c([O-])c1 ZINC000109157538 543316228 /nfs/dbraw/zinc/31/62/28/543316228.db2.gz RIMDVUSVYODNCW-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2ccccn2)no1 ZINC000109501808 543326555 /nfs/dbraw/zinc/32/65/55/543326555.db2.gz HIJGVNXCKJJDHO-UHFFFAOYSA-N -1 1 360.377 2.371 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000110097257 543348503 /nfs/dbraw/zinc/34/85/03/543348503.db2.gz GQXLGIGGGMKSPG-GFCCVEGCSA-N -1 1 360.863 2.353 20 0 FEADMM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000111346467 543397982 /nfs/dbraw/zinc/39/79/82/543397982.db2.gz XLKQLOJUNGDGIU-UHFFFAOYSA-N -1 1 372.368 2.121 20 0 FEADMM COc1cc(CNC(=O)c2cncc([O-])c2)cc(Br)c1OC ZINC000111591150 543408337 /nfs/dbraw/zinc/40/83/37/543408337.db2.gz FWKXEVOADOIUAJ-UHFFFAOYSA-N -1 1 367.199 2.497 20 0 FEADMM Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000114413068 543513997 /nfs/dbraw/zinc/51/39/97/543513997.db2.gz IMPUQTZTRUTJPB-OLZOCXBDSA-N -1 1 356.451 2.429 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1OC(F)F ZINC000114674273 543529032 /nfs/dbraw/zinc/52/90/32/543529032.db2.gz UBQUFWLCMMYGPX-UHFFFAOYSA-N -1 1 356.350 2.496 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(CC1CC1)CC1CC1 ZINC000115479800 543569604 /nfs/dbraw/zinc/56/96/04/543569604.db2.gz YEIQBKBTNKGTKF-UHFFFAOYSA-N -1 1 352.438 2.331 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)o1 ZINC000115582681 543575450 /nfs/dbraw/zinc/57/54/50/543575450.db2.gz YNZJKXLZIHGIHB-CYBMUJFWSA-N -1 1 364.423 2.014 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000116601960 543611304 /nfs/dbraw/zinc/61/13/04/543611304.db2.gz FAQAODNTSMYYSQ-UHFFFAOYSA-N -1 1 356.407 2.033 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000118161407 543648014 /nfs/dbraw/zinc/64/80/14/543648014.db2.gz XLZZOOGQYWGDDY-UHFFFAOYSA-N -1 1 374.397 2.172 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1nn[n-]n1 ZINC000124462287 543823156 /nfs/dbraw/zinc/82/31/56/543823156.db2.gz CLOJJAHBIQWWSC-JTQLQIEISA-N -1 1 360.418 2.267 20 0 FEADMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)[S@@](C)=O ZINC000124168693 543804527 /nfs/dbraw/zinc/80/45/27/543804527.db2.gz QYGJRORRPVODHT-HQRLLJBISA-N -1 1 350.314 2.490 20 0 FEADMM C[C@H](CN(C)C(=O)c1c2c(sc1-n1cccc1)CCC2)c1nn[n-]n1 ZINC000124593610 543831314 /nfs/dbraw/zinc/83/13/14/543831314.db2.gz MKZFXMATGVVYJO-LLVKDONJSA-N -1 1 356.455 2.416 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c(C)c1 ZINC000126872933 543960773 /nfs/dbraw/zinc/96/07/73/543960773.db2.gz BQEHBORIWIAAKU-UHFFFAOYSA-N -1 1 351.428 2.422 20 0 FEADMM O=C(c1cc(Cl)ccc1OC(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129405208 544111008 /nfs/dbraw/zinc/11/10/08/544111008.db2.gz GOWAQXJWSAIRHI-QMMMGPOBSA-N -1 1 357.748 2.474 20 0 FEADMM O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000132714722 544241330 /nfs/dbraw/zinc/24/13/30/544241330.db2.gz HDEVMLUIEQJIEF-SNVBAGLBSA-N -1 1 357.805 2.263 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H]1CCCO1 ZINC000133053556 544254124 /nfs/dbraw/zinc/25/41/24/544254124.db2.gz TXFFMWIZTCYIOV-NEPJUHHUSA-N -1 1 358.460 2.044 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135482014 544348938 /nfs/dbraw/zinc/34/89/38/544348938.db2.gz IKFKRBSZISKNAE-HNNXBMFYSA-N -1 1 371.437 2.295 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1OCC)c1nn[n-]n1 ZINC000136687116 544376947 /nfs/dbraw/zinc/37/69/47/544376947.db2.gz CFLAGTCPGYNSTR-CYBMUJFWSA-N -1 1 355.402 2.055 20 0 FEADMM CCC[C@H](NC(=O)CSc1nccn1-c1ccccc1C)c1nn[n-]n1 ZINC000136680878 544376988 /nfs/dbraw/zinc/37/69/88/544376988.db2.gz WRFXQDANCYYQIH-ZDUSSCGKSA-N -1 1 371.470 2.444 20 0 FEADMM CCC[C@H](NC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1nn[n-]n1 ZINC000136702137 544377541 /nfs/dbraw/zinc/37/75/41/544377541.db2.gz STZXQKZJEASQHI-FZMZJTMJSA-N -1 1 356.434 2.495 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)co1 ZINC000151807645 544583342 /nfs/dbraw/zinc/58/33/42/544583342.db2.gz BVDGJZOHRCYLRH-GOSISDBHSA-N -1 1 362.451 2.382 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2Cl)n[n-]1 ZINC000153137606 544737540 /nfs/dbraw/zinc/73/75/40/544737540.db2.gz HJOPEALWCYVTPM-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3C)c1 ZINC000153830483 544829284 /nfs/dbraw/zinc/82/92/84/544829284.db2.gz QUQUXUASFBVNHJ-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2noc3c2CCCCC3)s1 ZINC000153995732 544849536 /nfs/dbraw/zinc/84/95/36/544849536.db2.gz SSVXGJBGZBMARB-UHFFFAOYSA-N -1 1 350.400 2.153 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc3c(cccc3Cl)[nH]2)co1 ZINC000802886714 674205422 /nfs/dbraw/zinc/20/54/22/674205422.db2.gz WNVMKCUURYISNB-UHFFFAOYSA-N -1 1 369.786 2.074 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])C(F)(F)C1(O)CCCC1 ZINC000803172161 674226512 /nfs/dbraw/zinc/22/65/12/674226512.db2.gz IAUQPLNMMLPOFB-UHFFFAOYSA-N -1 1 351.147 2.429 20 0 FEADMM CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000180359860 327682797 /nfs/dbraw/zinc/68/27/97/327682797.db2.gz RMSJAHFLMQNMKB-NSHDSACASA-N -1 1 365.373 2.450 20 0 FEADMM O=C(NCc1cccnc1-n1cncn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180398710 327684438 /nfs/dbraw/zinc/68/44/38/327684438.db2.gz ZUSISKZSYWHBCM-UHFFFAOYSA-N -1 1 363.299 2.317 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)c1 ZINC000181163578 327718816 /nfs/dbraw/zinc/71/88/16/327718816.db2.gz PBPCRCMXTMVLQZ-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C(N)=O)nc2)c1 ZINC000182930802 327794400 /nfs/dbraw/zinc/79/44/00/327794400.db2.gz JYZJCRBHEXYTDH-UHFFFAOYSA-N -1 1 350.172 2.209 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC000184916530 327889380 /nfs/dbraw/zinc/88/93/80/327889380.db2.gz CJGQAGQMUMJVKZ-UHFFFAOYSA-N -1 1 354.472 2.012 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000184965268 327892306 /nfs/dbraw/zinc/89/23/06/327892306.db2.gz BMWGMSARVOPNFS-CQSZACIVSA-N -1 1 354.472 2.092 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)NC)c1 ZINC000187209588 328009179 /nfs/dbraw/zinc/00/91/79/328009179.db2.gz VGQUKFIJSJDYCW-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1ccco1 ZINC000187402334 328022930 /nfs/dbraw/zinc/02/29/30/328022930.db2.gz PFUPLGJNWFHXCM-HNNXBMFYSA-N -1 1 359.407 2.403 20 0 FEADMM CS(=O)(=O)CCCCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000187443421 328025841 /nfs/dbraw/zinc/02/58/41/328025841.db2.gz KSCIGAAZMPNHII-UHFFFAOYSA-N -1 1 353.362 2.356 20 0 FEADMM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000188385383 328083827 /nfs/dbraw/zinc/08/38/27/328083827.db2.gz HTILOYJDGIFGTI-LBPRGKRZSA-N -1 1 359.369 2.294 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cccc(Br)c1C)c1nn[n-]n1 ZINC000189065450 328126390 /nfs/dbraw/zinc/12/63/90/328126390.db2.gz SFTKQZFUAKBFAN-GFCCVEGCSA-N -1 1 352.236 2.471 20 0 FEADMM Cc1cc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n[nH]1 ZINC000189728811 328164773 /nfs/dbraw/zinc/16/47/73/328164773.db2.gz GFFJICURUAFELA-UHFFFAOYSA-N -1 1 365.231 2.149 20 0 FEADMM O=C(NC1(CO)CCCC1)c1cc(I)ccc1[O-] ZINC000189796892 328168635 /nfs/dbraw/zinc/16/86/35/328168635.db2.gz GUPHBMRQCWXNEQ-UHFFFAOYSA-N -1 1 361.179 2.032 20 0 FEADMM CCn1nccc1N1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1=O ZINC000189905605 328175195 /nfs/dbraw/zinc/17/51/95/328175195.db2.gz UIOBARASTSNELO-CYBMUJFWSA-N -1 1 362.817 2.187 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000190070554 328185741 /nfs/dbraw/zinc/18/57/41/328185741.db2.gz CAWWYOUMXAXQLI-UHFFFAOYSA-N -1 1 374.203 2.132 20 0 FEADMM COCCn1nc(C)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1C ZINC000190314760 328199894 /nfs/dbraw/zinc/19/98/94/328199894.db2.gz OHTVKCWOCWMLDS-UHFFFAOYSA-N -1 1 363.439 2.322 20 0 FEADMM Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000190401574 328205439 /nfs/dbraw/zinc/20/54/39/328205439.db2.gz VSFPLURNHRBCDT-UHFFFAOYSA-N -1 1 360.395 2.018 20 0 FEADMM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CCO2)cc1 ZINC000190912188 328239761 /nfs/dbraw/zinc/23/97/61/328239761.db2.gz DPLXXROPYVHGOD-KRWDZBQOSA-N -1 1 366.421 2.450 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)ccc1F ZINC000191000809 328244657 /nfs/dbraw/zinc/24/46/57/328244657.db2.gz BCZLXALVFPWWTF-UHFFFAOYSA-N -1 1 362.386 2.431 20 0 FEADMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)[C@H](C)NC(=O)OC(C)(C)C ZINC000191782525 328281377 /nfs/dbraw/zinc/28/13/77/328281377.db2.gz XBBRCSQPIYFURF-RQJHMYQMSA-N -1 1 351.329 2.311 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000191878571 328286356 /nfs/dbraw/zinc/28/63/56/328286356.db2.gz AJOQXSBUHGNXHZ-UHFFFAOYSA-N -1 1 374.203 2.132 20 0 FEADMM O=C1NC(=O)[C@]2(CCC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)N1 ZINC000192685487 328333174 /nfs/dbraw/zinc/33/31/74/328333174.db2.gz ZSWXQYMKFDYZRK-OAHLLOKOSA-N -1 1 368.315 2.021 20 0 FEADMM COC(=O)Cn1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C ZINC000193874694 328400040 /nfs/dbraw/zinc/40/00/40/328400040.db2.gz SXULWDNXSIMQSL-UHFFFAOYSA-N -1 1 357.288 2.341 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1 ZINC000194192458 328414943 /nfs/dbraw/zinc/41/49/43/328414943.db2.gz OZMPNGWTXLRURX-UHFFFAOYSA-N -1 1 357.395 2.027 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(I)ccc2[O-])CCC1=O ZINC000194946054 328448187 /nfs/dbraw/zinc/44/81/87/328448187.db2.gz YKCICWBBLLVDAS-QMMMGPOBSA-N -1 1 359.163 2.048 20 0 FEADMM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000230153873 328486578 /nfs/dbraw/zinc/48/65/78/328486578.db2.gz SBLCNHLZVZFQKV-QMMMGPOBSA-N -1 1 371.684 2.184 20 0 FEADMM COCc1cc(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)no1 ZINC000080061730 325116315 /nfs/dbraw/zinc/11/63/15/325116315.db2.gz XDMKDOBWMPTYCT-UHFFFAOYSA-N -1 1 363.443 2.430 20 0 FEADMM O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc2ccccc2c1[O-] ZINC000080136002 325119340 /nfs/dbraw/zinc/11/93/40/325119340.db2.gz SNMYMETYGLSZFL-UHFFFAOYSA-N -1 1 366.421 2.060 20 0 FEADMM CCn1c(CNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)n[n-]c1=S ZINC000087300673 325278779 /nfs/dbraw/zinc/27/87/79/325278779.db2.gz NSPBNKSCTXLRSA-GFCCVEGCSA-N -1 1 353.492 2.004 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000087388459 325281424 /nfs/dbraw/zinc/28/14/24/325281424.db2.gz PUUAJZQTIMLNHZ-UHFFFAOYSA-N -1 1 354.382 2.307 20 0 FEADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n(C)n1 ZINC000091160890 325376290 /nfs/dbraw/zinc/37/62/90/325376290.db2.gz LRDXYPVZSYFHDL-UHFFFAOYSA-N -1 1 354.407 2.306 20 0 FEADMM COc1ccccc1COC1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000092422811 325414917 /nfs/dbraw/zinc/41/49/17/325414917.db2.gz KLGRFBNWPYMRSN-UHFFFAOYSA-N -1 1 368.437 2.212 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1 ZINC000097374602 325461405 /nfs/dbraw/zinc/46/14/05/325461405.db2.gz URQUJRYFVPHWRF-UHFFFAOYSA-N -1 1 351.366 2.243 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000243528950 328543404 /nfs/dbraw/zinc/54/34/04/328543404.db2.gz OCFAYCYYKOAWCE-UHFFFAOYSA-N -1 1 370.377 2.142 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000110565987 325689219 /nfs/dbraw/zinc/68/92/19/325689219.db2.gz FSBLNDAOFBCAHM-YBTHPKLGSA-N -1 1 350.422 2.232 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCc2c1cccc2O ZINC000111605385 325727064 /nfs/dbraw/zinc/72/70/64/325727064.db2.gz AOFFHFFNICBJHM-MRXNPFEDSA-N -1 1 366.421 2.494 20 0 FEADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000113082241 325822795 /nfs/dbraw/zinc/82/27/95/325822795.db2.gz ABJILXYQXPQSCY-BDAKNGLRSA-N -1 1 364.261 2.048 20 0 FEADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000116159445 325996164 /nfs/dbraw/zinc/99/61/64/325996164.db2.gz VPUXQZLTNNPXRP-GFCCVEGCSA-N -1 1 360.435 2.481 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000116607990 326026644 /nfs/dbraw/zinc/02/66/44/326026644.db2.gz HCYZIQFNOFAKQK-CQSZACIVSA-N -1 1 369.389 2.418 20 0 FEADMM CS[C@@H]1CCC[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000117315658 326056583 /nfs/dbraw/zinc/05/65/83/326056583.db2.gz KPIJDBGMFYNDFM-HUUCEWRRSA-N -1 1 372.494 2.473 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117805679 326071558 /nfs/dbraw/zinc/07/15/58/326071558.db2.gz FSIHKVDXIJMSOI-AWEZNQCLSA-N -1 1 366.421 2.212 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCCCOCc1ccccc1)c2=O ZINC000119192744 326136148 /nfs/dbraw/zinc/13/61/48/326136148.db2.gz LLHOTRTYPPBAOP-UHFFFAOYSA-N -1 1 354.410 2.401 20 0 FEADMM O=C(CN1CCN(CCc2ccccc2)CC1)[N-]OCc1ccccc1 ZINC000119304733 326147828 /nfs/dbraw/zinc/14/78/28/326147828.db2.gz KLRMWTOROFISQO-UHFFFAOYSA-N -1 1 353.466 2.095 20 0 FEADMM CCCC[C@@H](COC)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000119601060 326179592 /nfs/dbraw/zinc/17/95/92/326179592.db2.gz FIVRAQHNKJKVHK-HNNXBMFYSA-N -1 1 358.442 2.004 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(Br)c(F)c1)c1nn[n-]n1 ZINC000119614359 326181154 /nfs/dbraw/zinc/18/11/54/326181154.db2.gz YURCOGUIRXDMQZ-NSHDSACASA-N -1 1 356.199 2.301 20 0 FEADMM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1cc(Cl)sc1Cl ZINC000120182293 326238403 /nfs/dbraw/zinc/23/84/03/326238403.db2.gz MZSRTOQWKBTHAS-NSHDSACASA-N -1 1 360.284 2.122 20 0 FEADMM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000120378634 326253759 /nfs/dbraw/zinc/25/37/59/326253759.db2.gz NKIUSKSABVPTAF-VIFPVBQESA-N -1 1 350.314 2.447 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000120567722 326268879 /nfs/dbraw/zinc/26/88/79/326268879.db2.gz HIZIWAAIMWDMLH-CXAGYDPISA-N -1 1 374.462 2.475 20 0 FEADMM Cc1ccc(C(=O)NC[C@@H](C)O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000120647352 326275732 /nfs/dbraw/zinc/27/57/32/326275732.db2.gz WDTFGEUOXRNSPX-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000122070447 326383005 /nfs/dbraw/zinc/38/30/05/326383005.db2.gz BSWGBPDCUWAKMG-NSHDSACASA-N -1 1 372.231 2.413 20 0 FEADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000129810839 326546783 /nfs/dbraw/zinc/54/67/83/326546783.db2.gz LGDKNVQTTSEBQT-HNNXBMFYSA-N -1 1 350.440 2.329 20 0 FEADMM CC(C)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCOCC1 ZINC000132985924 326601256 /nfs/dbraw/zinc/60/12/56/326601256.db2.gz ROHWSQZTCNUTAT-AWEZNQCLSA-N -1 1 371.275 2.241 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000135389981 326640446 /nfs/dbraw/zinc/64/04/46/326640446.db2.gz BDCQRGJASFAXKC-UHFFFAOYSA-N -1 1 357.395 2.056 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c1 ZINC000151904437 326694117 /nfs/dbraw/zinc/69/41/17/326694117.db2.gz ZNKUMCXFRKUODP-UHFFFAOYSA-N -1 1 353.371 2.215 20 0 FEADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1noc(-c2ccccc2)n1 ZINC000152209027 326701667 /nfs/dbraw/zinc/70/16/67/326701667.db2.gz QUYJRWXCCCTFDC-NSHDSACASA-N -1 1 361.361 2.464 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@]2(CCOC2)C1 ZINC000155208752 326781379 /nfs/dbraw/zinc/78/13/79/326781379.db2.gz AZQNMEBDFVLOOF-AWEZNQCLSA-N -1 1 373.190 2.249 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@](C)(O)c1cccs1 ZINC000156552390 326835682 /nfs/dbraw/zinc/83/56/82/326835682.db2.gz IUNZFQQJSCZGKV-GOSISDBHSA-N -1 1 374.466 2.070 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000156986062 326850554 /nfs/dbraw/zinc/85/05/54/326850554.db2.gz RNWHKKGEKFTHFH-GOEBONIOSA-N -1 1 358.442 2.058 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157458646 326865900 /nfs/dbraw/zinc/86/59/00/326865900.db2.gz GXGWVHLDIUEARN-OAHLLOKOSA-N -1 1 360.435 2.087 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1O)c1cc(Br)c(F)cc1F ZINC000158534309 326899202 /nfs/dbraw/zinc/89/92/02/326899202.db2.gz HYMHNIXBEPGTBW-GHMZBOCLSA-N -1 1 370.215 2.309 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ncnn2C)cc1 ZINC000162948368 327038830 /nfs/dbraw/zinc/03/88/30/327038830.db2.gz YJJNZEJYBVENOT-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000164811820 327074350 /nfs/dbraw/zinc/07/43/50/327074350.db2.gz GVSOIFMPHWKBIL-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000170630082 327089627 /nfs/dbraw/zinc/08/96/27/327089627.db2.gz FAHGLLRWGSVJDQ-NUEKZKHPSA-N -1 1 352.438 2.235 20 0 FEADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000171212473 327125135 /nfs/dbraw/zinc/12/51/35/327125135.db2.gz KJLSORPLJWEULU-SNVBAGLBSA-N -1 1 368.842 2.445 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1nccn1CC(C)C ZINC000171290527 327130044 /nfs/dbraw/zinc/13/00/44/327130044.db2.gz FLLWXFLQYFGNTN-UHFFFAOYSA-N -1 1 356.430 2.476 20 0 FEADMM Cc1cccc(OCCN(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000171676310 327154286 /nfs/dbraw/zinc/15/42/86/327154286.db2.gz JHEWWVXLYJYSCC-UHFFFAOYSA-N -1 1 368.437 2.028 20 0 FEADMM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000172616609 327211846 /nfs/dbraw/zinc/21/18/46/327211846.db2.gz ZKUJJYHLPHKOGG-SECBINFHSA-N -1 1 357.646 2.156 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)Sc2ccccc2)o1 ZINC000172914555 327225943 /nfs/dbraw/zinc/22/59/43/327225943.db2.gz QKLUBSFOTLUCKI-NSHDSACASA-N -1 1 354.453 2.098 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000173200627 327240740 /nfs/dbraw/zinc/24/07/40/327240740.db2.gz NTKUKVGXQPNBQY-UHFFFAOYSA-N -1 1 367.331 2.314 20 0 FEADMM O=C(NCCc1nc(C(F)(F)F)cs1)c1nc2ccccc2c(=O)[n-]1 ZINC000173314652 327249234 /nfs/dbraw/zinc/24/92/34/327249234.db2.gz CXZMMAFVYSGDAO-UHFFFAOYSA-N -1 1 368.340 2.371 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000173511446 327262414 /nfs/dbraw/zinc/26/24/14/327262414.db2.gz XPTDXIQXEUJIJQ-SNVBAGLBSA-N -1 1 370.384 2.135 20 0 FEADMM CCC(O)(CC)CNC(=O)c1cc(I)ccc1[O-] ZINC000174401908 327324942 /nfs/dbraw/zinc/32/49/42/327324942.db2.gz GQZDVXUBOWPMKD-UHFFFAOYSA-N -1 1 363.195 2.278 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCS1 ZINC000174771028 327349841 /nfs/dbraw/zinc/34/98/41/327349841.db2.gz GAYBLRFVODPVKP-AWEZNQCLSA-N -1 1 358.467 2.037 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000174992441 327366204 /nfs/dbraw/zinc/36/62/04/327366204.db2.gz UISSAZLDOYIXBG-JTQLQIEISA-N -1 1 371.441 2.357 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)o1 ZINC000175646474 327404377 /nfs/dbraw/zinc/40/43/77/327404377.db2.gz XXYKFHBIJSZFFN-RYUDHWBXSA-N -1 1 352.412 2.394 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000176255515 327444279 /nfs/dbraw/zinc/44/42/79/327444279.db2.gz DMVFPPBMLLQAFQ-MNOVXSKESA-N -1 1 355.225 2.257 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1S(N)(=O)=O ZINC000176697319 327470727 /nfs/dbraw/zinc/47/07/27/327470727.db2.gz PGUWBJUJILEHLH-UHFFFAOYSA-N -1 1 372.443 2.145 20 0 FEADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177029136 327491897 /nfs/dbraw/zinc/49/18/97/327491897.db2.gz QAURGZXLPIPPRO-MZHQLVBMSA-N -1 1 369.446 2.494 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000263100009 328915597 /nfs/dbraw/zinc/91/55/97/328915597.db2.gz JXCBVFLWYBBTHO-SRBZOADZSA-N -1 1 366.458 2.278 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(NC(C)=O)c2)o1 ZINC000264592097 329038657 /nfs/dbraw/zinc/03/86/57/329038657.db2.gz LUGXMKHTQRJHHR-JTQLQIEISA-N -1 1 366.395 2.064 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(C[C@H]2CCCO2)no1 ZINC000264601995 329039597 /nfs/dbraw/zinc/03/95/97/329039597.db2.gz LUAJPHOWHVCUFP-CYBMUJFWSA-N -1 1 353.382 2.248 20 0 FEADMM CCc1ocnc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000265776727 329159415 /nfs/dbraw/zinc/15/94/15/329159415.db2.gz DNHXVJDTNMXKJU-UHFFFAOYSA-N -1 1 367.427 2.225 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(C(=O)OC)s2)s1 ZINC000265830006 329164643 /nfs/dbraw/zinc/16/46/43/329164643.db2.gz PXAUESHQWKBVPW-UHFFFAOYSA-N -1 1 369.424 2.134 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(Cc2cccc(Cl)c2)no1 ZINC000267072641 329288817 /nfs/dbraw/zinc/28/88/17/329288817.db2.gz ISGBVJJKXOIHSW-UHFFFAOYSA-N -1 1 373.862 2.158 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F ZINC000267179332 329299790 /nfs/dbraw/zinc/29/97/90/329299790.db2.gz WGXFQKWRSYICFS-MRXNPFEDSA-N -1 1 369.393 2.128 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000267300318 329311933 /nfs/dbraw/zinc/31/19/33/329311933.db2.gz LCDLTPCJDIEVJO-UZLBHIALSA-N -1 1 370.453 2.153 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCCCO2)c1 ZINC000267993327 329374727 /nfs/dbraw/zinc/37/47/27/329374727.db2.gz KHEKTSUQHXPMIX-ZDUSSCGKSA-N -1 1 370.471 2.320 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)c1nn[n-]n1 ZINC000268159186 329391734 /nfs/dbraw/zinc/39/17/34/329391734.db2.gz HTHBTKGMAPPGFK-LLVKDONJSA-N -1 1 368.228 2.354 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000268275841 329403919 /nfs/dbraw/zinc/40/39/19/329403919.db2.gz QBIXSVOWNBNSGS-MRXNPFEDSA-N -1 1 370.453 2.369 20 0 FEADMM COC(=O)c1cccc(NC2CCN(C(=O)c3cncc([O-])c3)CC2)c1 ZINC000269347921 329509892 /nfs/dbraw/zinc/50/98/92/329509892.db2.gz LZQURBWBEDHOBS-UHFFFAOYSA-N -1 1 355.394 2.291 20 0 FEADMM COc1ccc(NC(=O)NCC2(C3CC3)CC2)cc1[N-]S(C)(=O)=O ZINC000269828363 329552345 /nfs/dbraw/zinc/55/23/45/329552345.db2.gz WLLFVSDGLHRSOO-UHFFFAOYSA-N -1 1 353.444 2.378 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000270760925 329629103 /nfs/dbraw/zinc/62/91/03/329629103.db2.gz ORIOEAASFXVLOV-LLVKDONJSA-N -1 1 371.821 2.468 20 0 FEADMM COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000271393657 329690506 /nfs/dbraw/zinc/69/05/06/329690506.db2.gz MINKJSDOKVFHMF-SNVBAGLBSA-N -1 1 374.256 2.275 20 0 FEADMM COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccco1 ZINC000272414614 329778949 /nfs/dbraw/zinc/77/89/49/329778949.db2.gz MEMZWDLUMXGHMI-CYBMUJFWSA-N -1 1 371.386 2.261 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1Cl ZINC000273403001 329862274 /nfs/dbraw/zinc/86/22/74/329862274.db2.gz HDNDBINXTOGRGC-CHWSQXEVSA-N -1 1 373.837 2.411 20 0 FEADMM Cc1c(-c2ccccc2)nc(S[C@@H](C(=O)NC(N)=O)C(C)C)[n-]c1=O ZINC000273905102 329901118 /nfs/dbraw/zinc/90/11/18/329901118.db2.gz ADLAKLSRUJYEFB-CYBMUJFWSA-N -1 1 360.439 2.469 20 0 FEADMM COCC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccccc3C)ccc21 ZINC000275010813 330001785 /nfs/dbraw/zinc/00/17/85/330001785.db2.gz JLSQJRPJTQWMBO-UHFFFAOYSA-N -1 1 360.435 2.331 20 0 FEADMM COc1cccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1OC ZINC000281819259 330176934 /nfs/dbraw/zinc/17/69/34/330176934.db2.gz VOFRFMBGICKHKK-UHFFFAOYSA-N -1 1 374.359 2.235 20 0 FEADMM Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)n1 ZINC000367122583 330219731 /nfs/dbraw/zinc/21/97/31/330219731.db2.gz CVFYFERUNSANNB-KRWDZBQOSA-N -1 1 365.441 2.081 20 0 FEADMM COc1cc(NC(=O)CCc2scnc2C)ccc1[N-]S(C)(=O)=O ZINC000411372417 330254878 /nfs/dbraw/zinc/25/48/78/330254878.db2.gz CNZAPHJITWDZMK-UHFFFAOYSA-N -1 1 369.468 2.403 20 0 FEADMM O=S(=O)([N-]Cc1nccc(C(F)F)n1)c1ccc(Br)o1 ZINC000553913223 674294154 /nfs/dbraw/zinc/29/41/54/674294154.db2.gz WZHMVJSSWUDPKB-UHFFFAOYSA-N -1 1 368.159 2.248 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000805252184 674327900 /nfs/dbraw/zinc/32/79/00/674327900.db2.gz YNCIVRXMEZNKBT-PPCPHDFISA-N -1 1 365.396 2.041 20 0 FEADMM CCCc1nc(=NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)s[n-]1 ZINC000554935215 674342278 /nfs/dbraw/zinc/34/22/78/674342278.db2.gz GGJPJHGBTFWGAS-UHFFFAOYSA-N -1 1 361.406 2.158 20 0 FEADMM CCCc1nc(=NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)s[n-]1 ZINC000554935215 674342281 /nfs/dbraw/zinc/34/22/81/674342281.db2.gz GGJPJHGBTFWGAS-UHFFFAOYSA-N -1 1 361.406 2.158 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)OCC(=O)c3cscn3)n2)cc1 ZINC000805554725 674344211 /nfs/dbraw/zinc/34/42/11/674344211.db2.gz KSIHZZGGQUPACY-UHFFFAOYSA-N -1 1 359.363 2.083 20 0 FEADMM COc1ccc(-c2cncc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2)cc1 ZINC000155495044 545532795 /nfs/dbraw/zinc/53/27/95/545532795.db2.gz PKFAAUKYJIAJAH-CQSZACIVSA-N -1 1 364.409 2.290 20 0 FEADMM CCc1nnc([C@H](C)S(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)o1 ZINC000478027980 561158476 /nfs/dbraw/zinc/15/84/76/561158476.db2.gz YSDPHDVKXWVNHR-JTQLQIEISA-N -1 1 353.448 2.408 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cccc(-c4ncon4)c3)ccc21 ZINC000158759159 545892763 /nfs/dbraw/zinc/89/27/63/545892763.db2.gz ZWMKRSDQMISQKW-UHFFFAOYSA-N -1 1 370.390 2.056 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1nc3cccc(Cl)c3n1C)c2=O ZINC000478442067 561166980 /nfs/dbraw/zinc/16/69/80/561166980.db2.gz AHPYPWYGEQFDJN-UHFFFAOYSA-N -1 1 370.800 2.144 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](CO)CCC(C)(C)C ZINC000478593722 561170421 /nfs/dbraw/zinc/17/04/21/561170421.db2.gz GCIXBILYTPLKGQ-HNNXBMFYSA-N -1 1 372.469 2.399 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@H](CO)Cc3ccc(F)cc3)cnc2n1 ZINC000478868182 561176446 /nfs/dbraw/zinc/17/64/46/561176446.db2.gz PODOFEUPAVQIHQ-CQSZACIVSA-N -1 1 369.396 2.364 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC[C@H](CO)Cc3ccc(F)cc3)c[n-]c2n1 ZINC000478868182 561176447 /nfs/dbraw/zinc/17/64/47/561176447.db2.gz PODOFEUPAVQIHQ-CQSZACIVSA-N -1 1 369.396 2.364 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3ncon3)cc2)c(=O)[n-]1 ZINC000171009950 546185449 /nfs/dbraw/zinc/18/54/49/546185449.db2.gz RMBHDTVVZVLBHX-UHFFFAOYSA-N -1 1 371.422 2.422 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccccc3Cl)no2)o1 ZINC000171797236 546226008 /nfs/dbraw/zinc/22/60/08/546226008.db2.gz QKCNNGRQKKPGNV-UHFFFAOYSA-N -1 1 353.787 2.482 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1Cc2ccccc2C[C@@H]1C ZINC000172785776 546267800 /nfs/dbraw/zinc/26/78/00/546267800.db2.gz AAHXNIUGMIRJNK-LBPRGKRZSA-N -1 1 350.422 2.155 20 0 FEADMM COc1cc(NC(=O)C(C)(C)c2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000479841911 561198155 /nfs/dbraw/zinc/19/81/55/561198155.db2.gz WFTTZDPGYRCIIT-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000175859139 546362810 /nfs/dbraw/zinc/36/28/10/546362810.db2.gz ZLPPFSROHPICQI-KGLIPLIRSA-N -1 1 350.440 2.161 20 0 FEADMM O=c1cc(CN2CC[C@H](OCCCc3ccccc3)C2)nc2cc[n-]n21 ZINC000175956543 546379654 /nfs/dbraw/zinc/37/96/54/546379654.db2.gz ZFFOZCIPBXQBNL-SFHVURJKSA-N -1 1 352.438 2.246 20 0 FEADMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1sccc1Br ZINC000175967103 546381925 /nfs/dbraw/zinc/38/19/25/546381925.db2.gz TVFPXVFGPCSSMM-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(C)c3ccccc3n2C)o1 ZINC000480432441 561209089 /nfs/dbraw/zinc/20/90/89/561209089.db2.gz CFBGWAAKHBPGCR-UHFFFAOYSA-N -1 1 362.407 2.345 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)c1nn[n-]n1 ZINC000176740726 546482576 /nfs/dbraw/zinc/48/25/76/546482576.db2.gz FLXXSANFWDETEI-HNNXBMFYSA-N -1 1 352.398 2.445 20 0 FEADMM CCC[C@H](NC(=O)C=Cc1cccc(OC)c1OC(F)F)c1nn[n-]n1 ZINC000176765963 546484843 /nfs/dbraw/zinc/48/48/43/546484843.db2.gz ABDSJKFFBDTYAM-FBOQAHMBSA-N -1 1 367.356 2.481 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)c1nn[n-]n1 ZINC000176781455 546486792 /nfs/dbraw/zinc/48/67/92/546486792.db2.gz SSMUUAJAVSRNGQ-CYBMUJFWSA-N -1 1 369.429 2.229 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Br)c1nn[n-]n1 ZINC000176786562 546487555 /nfs/dbraw/zinc/48/75/55/546487555.db2.gz YAMOSVAUCKRWAM-KOLCDFICSA-N -1 1 368.235 2.387 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000176837586 546495500 /nfs/dbraw/zinc/49/55/00/546495500.db2.gz XXSADZBPRGDJHE-UHFFFAOYSA-N -1 1 366.512 2.098 20 0 FEADMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000176933716 546510871 /nfs/dbraw/zinc/51/08/71/546510871.db2.gz UHTCZPGTTQVMCO-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM CC(C)Oc1cccc([C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000480655961 561213796 /nfs/dbraw/zinc/21/37/96/561213796.db2.gz YJEPNHNSUWHXJY-CYBMUJFWSA-N -1 1 357.410 2.182 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)c1 ZINC000480837426 561217859 /nfs/dbraw/zinc/21/78/59/561217859.db2.gz DQULGIKXEWHVKB-ZDUSSCGKSA-N -1 1 351.380 2.128 20 0 FEADMM NC(=O)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nc1Cl ZINC000806448987 674377075 /nfs/dbraw/zinc/37/70/75/674377075.db2.gz NWJLHBBDDGBJOO-UHFFFAOYSA-N -1 1 357.757 2.182 20 0 FEADMM COCc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481436469 561232812 /nfs/dbraw/zinc/23/28/12/561232812.db2.gz OHUYHSDAFLGXMD-UHFFFAOYSA-N -1 1 350.396 2.298 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)on1 ZINC000481512056 561234776 /nfs/dbraw/zinc/23/47/76/561234776.db2.gz VBCREJJCMFXBIZ-LBPRGKRZSA-N -1 1 365.238 2.443 20 0 FEADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2C)o1 ZINC000178812924 546855109 /nfs/dbraw/zinc/85/51/09/546855109.db2.gz DRSISBXLUSUHEC-UHFFFAOYSA-N -1 1 360.395 2.186 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@@H](c3ccccc3F)C1)c2=O ZINC000179475269 546960680 /nfs/dbraw/zinc/96/06/80/546960680.db2.gz HLUKACJIDUGBKK-OAHLLOKOSA-N -1 1 356.357 2.027 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000180345751 547088464 /nfs/dbraw/zinc/08/84/64/547088464.db2.gz LNQRRUIGSPUTMV-HUUCEWRRSA-N -1 1 350.378 2.288 20 0 FEADMM CCc1nn(C)c(OC)c1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000180361544 547091680 /nfs/dbraw/zinc/09/16/80/547091680.db2.gz BIVGQWJYVWGTIV-UHFFFAOYSA-N -1 1 368.231 2.389 20 0 FEADMM CC(=O)N1CCN(C(=O)c2cc(Br)ccc2[O-])C(C)(C)C1 ZINC000180394581 547099234 /nfs/dbraw/zinc/09/92/34/547099234.db2.gz ZXPDFGHOOONQAO-UHFFFAOYSA-N -1 1 355.232 2.238 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)Cc3noc4ccccc43)CCCC2)no1 ZINC000180408264 547102813 /nfs/dbraw/zinc/10/28/13/547102813.db2.gz YOELVQMPBSUPKM-UHFFFAOYSA-N -1 1 362.411 2.408 20 0 FEADMM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000182024053 547424315 /nfs/dbraw/zinc/42/43/15/547424315.db2.gz CSUYOYYDJHKJHS-RUZDIDTESA-N -1 1 358.423 2.113 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c2=O ZINC000182128028 547442355 /nfs/dbraw/zinc/44/23/55/547442355.db2.gz HQPSIKYKVUPUOQ-SMDDNHRTSA-N -1 1 372.450 2.464 20 0 FEADMM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000182218187 547456247 /nfs/dbraw/zinc/45/62/47/547456247.db2.gz ROWHVVDKIZVMEZ-SNVBAGLBSA-N -1 1 356.357 2.204 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(Br)cc1C)c1nn[n-]n1 ZINC000182327158 547474058 /nfs/dbraw/zinc/47/40/58/547474058.db2.gz SRIRICYQQIQESR-GFCCVEGCSA-N -1 1 352.236 2.471 20 0 FEADMM CC(C)(CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000182428439 547492197 /nfs/dbraw/zinc/49/21/97/547492197.db2.gz SFIYQPBUZHHTTL-UHFFFAOYSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CCCS(C)(=O)=O)c1 ZINC000182902705 547569811 /nfs/dbraw/zinc/56/98/11/547569811.db2.gz MNOMMVIIWFISIQ-UHFFFAOYSA-N -1 1 350.234 2.226 20 0 FEADMM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000183197973 547619140 /nfs/dbraw/zinc/61/91/40/547619140.db2.gz MXQRPWRQSYGENW-SVWIBVJCSA-N -1 1 363.810 2.404 20 0 FEADMM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000183414762 547654786 /nfs/dbraw/zinc/65/47/86/547654786.db2.gz AZLSLYQVUYAXJL-SNVBAGLBSA-N -1 1 364.837 2.323 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000183421057 547655688 /nfs/dbraw/zinc/65/56/88/547655688.db2.gz ANVHPWIWUMJQHF-JTQLQIEISA-N -1 1 357.336 2.293 20 0 FEADMM Cc1ccc(-n2nc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c3c2CCC3)cc1 ZINC000183450510 547661357 /nfs/dbraw/zinc/66/13/57/547661357.db2.gz TZOPMDHLIPXENM-CYBMUJFWSA-N -1 1 365.441 2.058 20 0 FEADMM Cc1nsc(N2CCCN(CCOc3ccccc3C(=O)[O-])CC2)n1 ZINC000183937673 547742287 /nfs/dbraw/zinc/74/22/87/547742287.db2.gz AGVHNLOMEDEZMN-UHFFFAOYSA-N -1 1 362.455 2.136 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C(F)F)CC2)o1 ZINC000484720887 561304193 /nfs/dbraw/zinc/30/41/93/561304193.db2.gz AKNBGEBCEMTGOT-UHFFFAOYSA-N -1 1 364.414 2.474 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000484785127 561306077 /nfs/dbraw/zinc/30/60/77/561306077.db2.gz DSPDRFWDHRLSNK-UHFFFAOYSA-N -1 1 366.786 2.298 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)c(F)c1 ZINC000484977672 561309708 /nfs/dbraw/zinc/30/97/08/561309708.db2.gz DVJZZNUOLWYXPP-UHFFFAOYSA-N -1 1 367.354 2.404 20 0 FEADMM C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184958492 547906902 /nfs/dbraw/zinc/90/69/02/547906902.db2.gz GQFYCRXNBTUSTB-GRYCIOLGSA-N -1 1 360.501 2.091 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184966774 547909273 /nfs/dbraw/zinc/90/92/73/547909273.db2.gz KPXHYLPBQQZOBI-HNNXBMFYSA-N -1 1 368.499 2.400 20 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CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCOC)c2ccco2)o1 ZINC000503843714 561648977 /nfs/dbraw/zinc/64/89/77/561648977.db2.gz GYWOTGINSYNNSM-LLVKDONJSA-N -1 1 357.384 2.105 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@H]1CCCCO1 ZINC000299073625 553511751 /nfs/dbraw/zinc/51/17/51/553511751.db2.gz DURJSZDUCRYGBJ-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM COCCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000504229353 561654746 /nfs/dbraw/zinc/65/47/46/561654746.db2.gz GPHYELOYSARIRZ-UHFFFAOYSA-N -1 1 369.464 2.298 20 0 FEADMM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000299627173 553591013 /nfs/dbraw/zinc/59/10/13/553591013.db2.gz FWRGYNDWHMIYIX-HOCLYGCPSA-N -1 1 350.390 2.252 20 0 FEADMM Cc1nc(-c2ccc(NCC(C)(C)S(C)(=O)=O)nc2)[n-]c(=O)c1C ZINC000301546436 553659733 /nfs/dbraw/zinc/65/97/33/553659733.db2.gz PPYDNDCIWODFQP-UHFFFAOYSA-N -1 1 350.444 2.096 20 0 FEADMM C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cncc([O-])c2)C1=O ZINC000505378679 561670266 /nfs/dbraw/zinc/67/02/66/561670266.db2.gz DXSVLTDSRQSDSN-PXAZEXFGSA-N -1 1 357.385 2.408 20 0 FEADMM COc1cc(NC(=O)c2nc(C3CC3)oc2C)ccc1[N-]S(C)(=O)=O ZINC000505418001 561670765 /nfs/dbraw/zinc/67/07/65/561670765.db2.gz ZHMARWPBBHNNCC-UHFFFAOYSA-N -1 1 365.411 2.493 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NCCCCO)nc1 ZINC000302848913 553736804 /nfs/dbraw/zinc/73/68/04/553736804.db2.gz HYASBTOYEQCGMC-UHFFFAOYSA-N -1 1 357.382 2.345 20 0 FEADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000328183706 553793622 /nfs/dbraw/zinc/79/36/22/553793622.db2.gz MMVLOODFSCSLMB-UHFFFAOYSA-N -1 1 368.499 2.371 20 0 FEADMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cnc3n1CCC3)CCCC2 ZINC000328837895 553830475 /nfs/dbraw/zinc/83/04/75/553830475.db2.gz YATNMFDNFAYEEH-UHFFFAOYSA-N -1 1 361.423 2.207 20 0 FEADMM COC(=O)[C@]1(C)CN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1C ZINC000506036352 561687921 /nfs/dbraw/zinc/68/79/21/561687921.db2.gz AUSGIZPNQWAHPD-RFAUZJTJSA-N -1 1 356.216 2.426 20 0 FEADMM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1nc(C)c(C)s1)C2 ZINC000329166260 553893624 /nfs/dbraw/zinc/89/36/24/553893624.db2.gz HQQMOZJUKOIMOK-GFCCVEGCSA-N -1 1 354.453 2.051 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000506592317 561703085 /nfs/dbraw/zinc/70/30/85/561703085.db2.gz FUZNVGJAQRHWLK-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cc3ccccc3s2)o1 ZINC000506628357 561704320 /nfs/dbraw/zinc/70/43/20/561704320.db2.gz SOXZDNRIVJILTL-UHFFFAOYSA-N -1 1 364.448 2.375 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000506706603 561706560 /nfs/dbraw/zinc/70/65/60/561706560.db2.gz LKHNKBGUCWFGSF-UHFFFAOYSA-N -1 1 369.370 2.480 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000506806705 561709082 /nfs/dbraw/zinc/70/90/82/561709082.db2.gz OEQIUMILYVGATH-UHFFFAOYSA-N -1 1 351.428 2.440 20 0 FEADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1F ZINC000507615370 561735469 /nfs/dbraw/zinc/73/54/69/561735469.db2.gz ZAMRELGGZLIFBS-UHFFFAOYSA-N -1 1 362.382 2.115 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(O)cc(OC)c1)c1ccccc1 ZINC000507892663 561744836 /nfs/dbraw/zinc/74/48/36/561744836.db2.gz KNBXURFPWPKTBO-INIZCTEOSA-N -1 1 365.407 2.099 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cn(C)nc1C(C)C)c1ccccc1 ZINC000507984399 561748123 /nfs/dbraw/zinc/74/81/23/561748123.db2.gz FMTQBIMSEVBFMQ-AWEZNQCLSA-N -1 1 365.455 2.242 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000330624624 554147187 /nfs/dbraw/zinc/14/71/87/554147187.db2.gz GMXKGKVAIVMJTC-NXEZZACHSA-N -1 1 366.361 2.347 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C)n1 ZINC000330782618 554170565 /nfs/dbraw/zinc/17/05/65/554170565.db2.gz PSTYSCXAQQESFX-MRVPVSSYSA-N -1 1 360.233 2.488 20 0 FEADMM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000331222631 554232899 /nfs/dbraw/zinc/23/28/99/554232899.db2.gz KXYJUAHHNGTWNL-ZDUSSCGKSA-N -1 1 372.245 2.200 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000331491200 554273783 /nfs/dbraw/zinc/27/37/83/554273783.db2.gz YLPJQXAJXYWGPA-ZDUSSCGKSA-N -1 1 363.458 2.246 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000509062578 561783275 /nfs/dbraw/zinc/78/32/75/561783275.db2.gz ARHLDRUIGOBGTN-UHFFFAOYSA-N -1 1 372.493 2.117 20 0 FEADMM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCN(C)[C@@H](C)[C@@H]3C)s2)cc1 ZINC000331580338 554288414 /nfs/dbraw/zinc/28/84/14/554288414.db2.gz NGXSJXKDNTYTQZ-KBPBESRZSA-N -1 1 359.499 2.994 20 0 FEADMM CN1C(=O)CC[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000331671631 554305703 /nfs/dbraw/zinc/30/57/03/554305703.db2.gz WRBWBJJDZYOIEK-OAHLLOKOSA-N -1 1 359.426 2.014 20 0 FEADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806001 554323457 /nfs/dbraw/zinc/32/34/57/554323457.db2.gz TVARHSNLCTZMTE-DDTOSNHZSA-N -1 1 372.487 2.146 20 0 FEADMM CC(C)(C)n1cnc(=NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)[n-]1 ZINC000331851472 554330745 /nfs/dbraw/zinc/33/07/45/554330745.db2.gz CJRICALSNGUCNE-UHFFFAOYSA-N -1 1 374.464 2.958 20 0 FEADMM CO[C@H](C)c1nc(C)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)s1 ZINC000509276029 561793272 /nfs/dbraw/zinc/79/32/72/561793272.db2.gz IAHYNXJRKHSLGF-SECBINFHSA-N -1 1 352.416 2.267 20 0 FEADMM O=C(c1ncccc1OCC(F)(F)F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509293501 561794073 /nfs/dbraw/zinc/79/40/73/561794073.db2.gz JAXZOSCBIXVCDA-UHFFFAOYSA-N -1 1 372.303 2.131 20 0 FEADMM Cc1noc([C@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)n1 ZINC000332084766 554376909 /nfs/dbraw/zinc/37/69/09/554376909.db2.gz PYGGMYKMEUMNGR-VIFPVBQESA-N -1 1 352.188 2.476 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)n1 ZINC000332091081 554378264 /nfs/dbraw/zinc/37/82/64/554378264.db2.gz LRIBNZJJYSHEBR-SFYZADRCSA-N -1 1 357.819 2.394 20 0 FEADMM CO[C@@H](C)c1nc(=NC[C@@H](C)N2CCN(c3ccccc3)CC2)s[n-]1 ZINC000509700114 561810691 /nfs/dbraw/zinc/81/06/91/561810691.db2.gz QLVAVQZNWWNLJU-CABCVRRESA-N -1 1 361.515 2.290 20 0 FEADMM CO[C@@H](C)c1nsc(=NC[C@@H](C)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000509700114 561810692 /nfs/dbraw/zinc/81/06/92/561810692.db2.gz QLVAVQZNWWNLJU-CABCVRRESA-N -1 1 361.515 2.290 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@@H]2c2cc(OC)ccc2OC)n1 ZINC000510012040 561821686 /nfs/dbraw/zinc/82/16/86/561821686.db2.gz FMIYQSNTIZYGJT-DGCLKSJQSA-N -1 1 359.382 2.346 20 0 FEADMM CSc1cccc(C)c1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000332379789 554435015 /nfs/dbraw/zinc/43/50/15/554435015.db2.gz HGSGQXYBPCUQGC-UHFFFAOYSA-N -1 1 364.500 2.505 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC1(c2ccc(Cl)cc2)CCC1 ZINC000509932763 561818976 /nfs/dbraw/zinc/81/89/76/561818976.db2.gz CTWAPAHVZSISNC-UHFFFAOYSA-N -1 1 359.813 2.366 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000531010339 562431872 /nfs/dbraw/zinc/43/18/72/562431872.db2.gz ZAIRMZOXYOUSEX-KBPBESRZSA-N -1 1 350.440 2.358 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nn(-c3ccccc3)cc2OC)n1 ZINC000509985546 561820710 /nfs/dbraw/zinc/82/07/10/561820710.db2.gz HSUSMUVLFLUGSR-UHFFFAOYSA-N -1 1 355.354 2.033 20 0 FEADMM Cc1ccc2c(O)c(C(=O)Nc3cccc(-c4n[nH]c(=O)[n-]4)c3)cnc2n1 ZINC000510547208 561838583 /nfs/dbraw/zinc/83/85/83/561838583.db2.gz OILRRVUKKIUKDE-UHFFFAOYSA-N -1 1 362.349 2.387 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cnccc1Oc1ccccc1 ZINC000510594524 561839904 /nfs/dbraw/zinc/83/99/04/561839904.db2.gz YZBHPBQOFPACPZ-UHFFFAOYSA-N -1 1 364.361 2.343 20 0 FEADMM CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000333243139 554593487 /nfs/dbraw/zinc/59/34/87/554593487.db2.gz IUSTTZWMQWFVFH-CJNGLKHVSA-N -1 1 352.394 2.276 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CCCCC3)C2)sc1C ZINC000333269371 554596602 /nfs/dbraw/zinc/59/66/02/554596602.db2.gz NJOGDXCPACRVLG-AWEZNQCLSA-N -1 1 371.528 2.219 20 0 FEADMM C[C@@H](N=c1ccc(N2CC[C@@H](C)S(=O)(=O)CC2)n[n-]1)c1ccccc1 ZINC000333388279 554608401 /nfs/dbraw/zinc/60/84/01/554608401.db2.gz CMFAEHDMMYPZCX-HUUCEWRRSA-N -1 1 360.483 2.663 20 0 FEADMM Cn1ncc2c1CCCN(C(=O)c1cc(Br)ccc1[O-])C2 ZINC000333992447 554665449 /nfs/dbraw/zinc/66/54/49/554665449.db2.gz KYCPYNDKCPTPFL-UHFFFAOYSA-N -1 1 350.216 2.477 20 0 FEADMM COCC1(c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CCOCC1 ZINC000349716608 554739245 /nfs/dbraw/zinc/73/92/45/554739245.db2.gz DNGCDZPZFUYVND-UHFFFAOYSA-N -1 1 368.393 2.385 20 0 FEADMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3nc[nH]n3)no2)cc1 ZINC000349794244 554742870 /nfs/dbraw/zinc/74/28/70/554742870.db2.gz ASPZYPROGKSPFY-UHFFFAOYSA-N -1 1 368.378 2.323 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3cccc(C(N)=O)c3)no2)c1 ZINC000350573098 554798775 /nfs/dbraw/zinc/79/87/75/554798775.db2.gz RTFIHOQZDSBENT-UHFFFAOYSA-N -1 1 352.350 2.090 20 0 FEADMM CNS(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cn1 ZINC000350614266 554802584 /nfs/dbraw/zinc/80/25/84/554802584.db2.gz RJPRROOXXLQDMW-UHFFFAOYSA-N -1 1 366.786 2.066 20 0 FEADMM COc1cc(-c2noc(Cn3cccn3)n2)cc(Br)c1[O-] ZINC000350782545 554812890 /nfs/dbraw/zinc/81/28/90/554812890.db2.gz RNZXEPGNXCDOIT-UHFFFAOYSA-N -1 1 351.160 2.458 20 0 FEADMM O=c1[nH]n(CCc2nc(-c3ccc([O-])c(F)c3)no2)c(=O)c2ccccc12 ZINC000350839886 554817256 /nfs/dbraw/zinc/81/72/56/554817256.db2.gz TYOXGAYIEHYPSR-UHFFFAOYSA-N -1 1 368.324 2.240 20 0 FEADMM O=C(CCNC(=O)c1ccco1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000360691957 554885649 /nfs/dbraw/zinc/88/56/49/554885649.db2.gz NRSMWHGSNAXODX-UHFFFAOYSA-N -1 1 370.405 2.227 20 0 FEADMM O=C1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc2N1 ZINC000361005810 554900332 /nfs/dbraw/zinc/90/03/32/554900332.db2.gz ZMCMRKDRIOSZBX-UHFFFAOYSA-N -1 1 371.418 2.257 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362780223 554988143 /nfs/dbraw/zinc/98/81/43/554988143.db2.gz DOCQVZJWFMYJEN-CQSZACIVSA-N -1 1 351.414 2.022 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000363349010 555083104 /nfs/dbraw/zinc/08/31/04/555083104.db2.gz RUIUNIANFMNPHC-HNNXBMFYSA-N -1 1 365.455 2.381 20 0 FEADMM CC[C@@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000363365713 555087144 /nfs/dbraw/zinc/08/71/44/555087144.db2.gz QKSDGIPVJBMBTA-OLZOCXBDSA-N -1 1 369.347 2.312 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000363398992 555095259 /nfs/dbraw/zinc/09/52/59/555095259.db2.gz RNHXXMNMHMYEHC-OAHLLOKOSA-N -1 1 370.371 2.450 20 0 FEADMM O=C(CN1c2ccsc2CCCC1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000363398400 555095327 /nfs/dbraw/zinc/09/53/27/555095327.db2.gz IRMFKEWYKXAHPT-UHFFFAOYSA-N -1 1 359.333 2.193 20 0 FEADMM COCCCOc1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000511912088 561885146 /nfs/dbraw/zinc/88/51/46/561885146.db2.gz YHKDWHWDXOZKFD-UHFFFAOYSA-N -1 1 356.382 2.342 20 0 FEADMM CN(C)C(=O)c1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1Cl ZINC000511915513 561885244 /nfs/dbraw/zinc/88/52/44/561885244.db2.gz HGLLDQHMVVDSRU-UHFFFAOYSA-N -1 1 373.800 2.281 20 0 FEADMM O=C(c1ccc(OCC2CCCCC2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363518583 555125907 /nfs/dbraw/zinc/12/59/07/555125907.db2.gz YBCIRUSGPASIBL-QGZVFWFLSA-N -1 1 371.441 2.373 20 0 FEADMM CCN(C(=O)c1cnc2n(C)[n-]cc-2c1=O)c1ccc(OC)c(OC)c1 ZINC000511968903 561887523 /nfs/dbraw/zinc/88/75/23/561887523.db2.gz WUDIEGCBLZAEMI-UHFFFAOYSA-N -1 1 356.382 2.358 20 0 FEADMM O=S(=O)(Cc1ccon1)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000363554820 555136014 /nfs/dbraw/zinc/13/60/14/555136014.db2.gz BOHCAHVQHYPESG-CQSZACIVSA-N -1 1 360.395 2.144 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)C(=O)OC(C)(C)C ZINC000511981931 561887945 /nfs/dbraw/zinc/88/79/45/561887945.db2.gz GKKVPWBBRYVXFG-GWCFXTLKSA-N -1 1 362.430 2.160 20 0 FEADMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cnn(C)c1 ZINC000363574258 555140110 /nfs/dbraw/zinc/14/01/10/555140110.db2.gz COSYFEVHIIVGFO-CYBMUJFWSA-N -1 1 356.426 2.491 20 0 FEADMM COc1cc2c(cc1F)CN(C(=O)c1c[n-]c3c(cnn3C)c1=O)CC2 ZINC000512018556 561889302 /nfs/dbraw/zinc/88/93/02/561889302.db2.gz OXMCXGWYXGIMKB-UHFFFAOYSA-N -1 1 356.357 2.020 20 0 FEADMM Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3ncccc3[O-])no2)cn1 ZINC000363730835 555173585 /nfs/dbraw/zinc/17/35/85/555173585.db2.gz BJGRQWJVRMSHJI-CYBMUJFWSA-N -1 1 368.397 2.328 20 0 FEADMM O=C(N=c1nc2ccccn2[n-]1)NC1CCN(Cc2ccccc2F)CC1 ZINC000363891158 555208018 /nfs/dbraw/zinc/20/80/18/555208018.db2.gz YVWSXLAGUZGNQO-UHFFFAOYSA-N -1 1 368.416 2.655 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC[C@H]1SCCc3ccccc31)c2=O ZINC000512168660 561894909 /nfs/dbraw/zinc/89/49/09/561894909.db2.gz COSGLZYJCLQVOL-OAHLLOKOSA-N -1 1 354.435 2.434 20 0 FEADMM CCC1(Cn2cc(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)nn2)COC1 ZINC000616333213 555292561 /nfs/dbraw/zinc/29/25/61/555292561.db2.gz WQQPQPYZKJWEAT-UHFFFAOYSA-N -1 1 358.427 2.409 20 0 FEADMM CO[C@@H]1CC[C@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000365072397 555478806 /nfs/dbraw/zinc/47/88/06/555478806.db2.gz RGTWTZUNHMNRRN-LSDHHAIUSA-N -1 1 356.426 2.169 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000365113042 555488497 /nfs/dbraw/zinc/48/84/97/555488497.db2.gz JQDACBTVBZWRFL-UHFFFAOYSA-N -1 1 372.410 2.016 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCSCC[C@H]1C ZINC000365141975 555493848 /nfs/dbraw/zinc/49/38/48/555493848.db2.gz DGWXXFKTMXXGSC-GFCCVEGCSA-N -1 1 358.467 2.037 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)o1 ZINC000365351240 555550589 /nfs/dbraw/zinc/55/05/89/555550589.db2.gz BTQMIWJMBSYGGU-SFHVURJKSA-N -1 1 362.451 2.300 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c1 ZINC000513792441 561950054 /nfs/dbraw/zinc/95/00/54/561950054.db2.gz GMSHKXACUHBRFM-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM CCc1ncsc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000366464298 555851427 /nfs/dbraw/zinc/85/14/27/555851427.db2.gz FSAHJBFPERIMQN-UHFFFAOYSA-N -1 1 355.423 2.340 20 0 FEADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1OCCc2sccc21 ZINC000366483036 555856596 /nfs/dbraw/zinc/85/65/96/555856596.db2.gz YLODMGGFQOIUJH-MEBBXXQBSA-N -1 1 355.419 2.417 20 0 FEADMM O=C(CSCc1ccc(Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366664373 555902840 /nfs/dbraw/zinc/90/28/40/555902840.db2.gz SNMAQZZDHSGRQW-GFCCVEGCSA-N -1 1 351.863 2.493 20 0 FEADMM O=C([C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1)N1CCCC1 ZINC000366668545 555903919 /nfs/dbraw/zinc/90/39/19/555903919.db2.gz PCTZUVMTACMMOI-YPMHNXCESA-N -1 1 358.410 2.034 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccncc2)c1 ZINC000366742808 555922776 /nfs/dbraw/zinc/92/27/76/555922776.db2.gz IWVSICAVIJMMON-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H]1CCCO1 ZINC000366804913 555938014 /nfs/dbraw/zinc/93/80/14/555938014.db2.gz PNKNLXRJRWEFMB-HOTGVXAUSA-N -1 1 356.426 2.169 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367300827 556012240 /nfs/dbraw/zinc/01/22/40/556012240.db2.gz VSUUGUGQNYLMRP-LJQANCHMSA-N -1 1 373.478 2.379 20 0 FEADMM CCOc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000367718376 556122179 /nfs/dbraw/zinc/12/21/79/556122179.db2.gz YHVDHNOUYBDBRV-ZIAGYGMSSA-N -1 1 355.818 2.464 20 0 FEADMM COc1ccc(-c2nc(CN=c3nc(C(F)(F)F)[n-]s3)n[nH]2)cc1 ZINC000367732157 556125733 /nfs/dbraw/zinc/12/57/33/556125733.db2.gz YRKCSORZPMMVMQ-UHFFFAOYSA-N -1 1 356.333 2.385 20 0 FEADMM COc1ccc(-c2n[nH]c(CN=c3nc(C(F)(F)F)[n-]s3)n2)cc1 ZINC000367732157 556125734 /nfs/dbraw/zinc/12/57/34/556125734.db2.gz YRKCSORZPMMVMQ-UHFFFAOYSA-N -1 1 356.333 2.385 20 0 FEADMM CC(C)c1nc([C@@H]2CCCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)no1 ZINC000367981521 556187347 /nfs/dbraw/zinc/18/73/47/556187347.db2.gz KDPPGMGVRGPJFX-LLVKDONJSA-N -1 1 370.413 2.200 20 0 FEADMM COc1ccccc1N1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1=O ZINC000368035468 556200373 /nfs/dbraw/zinc/20/03/73/556200373.db2.gz GDDRCLAKNGQAGY-NSHDSACASA-N -1 1 362.332 2.214 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CCO[C@H]3C[C@H]32)nc1 ZINC000368040525 556202203 /nfs/dbraw/zinc/20/22/03/556202203.db2.gz IUMSVHLHXQHRKF-CABCVRRESA-N -1 1 367.377 2.138 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)cnc2n1 ZINC000368240624 556256859 /nfs/dbraw/zinc/25/68/59/556256859.db2.gz DHKOKGGTWDWZDM-CQSZACIVSA-N -1 1 371.437 2.302 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(OC[C@@H]3CCOC3)CC1)c2=O ZINC000368240624 556256861 /nfs/dbraw/zinc/25/68/61/556256861.db2.gz DHKOKGGTWDWZDM-CQSZACIVSA-N -1 1 371.437 2.302 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@](CO)(c4ccccc4)C3)cnc2n1 ZINC000368289361 556269367 /nfs/dbraw/zinc/26/93/67/556269367.db2.gz XXIAQJAUHHRHRQ-NRFANRHFSA-N -1 1 363.417 2.420 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@](CO)(c4ccccc4)C3)c[n-]c2n1 ZINC000368289361 556269370 /nfs/dbraw/zinc/26/93/70/556269370.db2.gz XXIAQJAUHHRHRQ-NRFANRHFSA-N -1 1 363.417 2.420 20 0 FEADMM Cn1cc([C@@H]2[C@@H](CNC(=O)c3cc(F)c([O-])c(F)c3)CCCN2C)cn1 ZINC000368357054 556286557 /nfs/dbraw/zinc/28/65/57/556286557.db2.gz HPLAFFJXAGDESX-BZNIZROVSA-N -1 1 364.396 2.217 20 0 FEADMM O=C(CCCn1cccc1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368505019 556329099 /nfs/dbraw/zinc/32/90/99/556329099.db2.gz XKLUUSPGJLDYCX-HNNXBMFYSA-N -1 1 362.796 2.480 20 0 FEADMM Cc1noc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2)n1 ZINC000368952586 556457611 /nfs/dbraw/zinc/45/76/11/556457611.db2.gz YFBGHTNIKRNBKI-HNNXBMFYSA-N -1 1 361.361 2.134 20 0 FEADMM Cc1nc(SC(F)F)sc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000369146521 556516559 /nfs/dbraw/zinc/51/65/59/556516559.db2.gz YZQCUYAQEZDZPC-QMMMGPOBSA-N -1 1 374.442 2.228 20 0 FEADMM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1[O-] ZINC000369376532 556584586 /nfs/dbraw/zinc/58/45/86/556584586.db2.gz WQSFOFYUTXHQGR-IAQYHMDHSA-N -1 1 356.216 2.223 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](Oc2cccnc2C)C1 ZINC000369597060 556642436 /nfs/dbraw/zinc/64/24/36/556642436.db2.gz MEOQXXLLZDOBBK-LBPRGKRZSA-N -1 1 360.439 2.209 20 0 FEADMM CC(=O)NCCc1ccc(C(=O)CSc2ncc(C)c(=O)[n-]2)s1 ZINC000516315904 562039830 /nfs/dbraw/zinc/03/98/30/562039830.db2.gz WJMFJJTYBWQUID-UHFFFAOYSA-N -1 1 351.453 2.206 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3cnn(CC(C)C)c3)CC2)c1=N ZINC000369957958 556741713 /nfs/dbraw/zinc/74/17/13/556741713.db2.gz FORDFFTXOZTMKF-UHFFFAOYSA-N -1 1 374.489 2.162 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1C[C@H]1C1CC1 ZINC000516609561 562050359 /nfs/dbraw/zinc/05/03/59/562050359.db2.gz SUSZPYPUSYFNLS-JOYOIKCWSA-N -1 1 363.266 2.186 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC([C@H]2CCCOC2)CC1 ZINC000370149775 556795042 /nfs/dbraw/zinc/79/50/42/556795042.db2.gz PRMFZSWUIVKTCD-ZDUSSCGKSA-N -1 1 351.472 2.491 20 0 FEADMM O=C(Cn1cccn1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000516703573 562055191 /nfs/dbraw/zinc/05/51/91/562055191.db2.gz QKYOFUDEAQLWSB-UHFFFAOYSA-N -1 1 374.397 2.462 20 0 FEADMM Cc1cnc(SCC(=O)N(C)CCOc2ccccc2F)[n-]c1=O ZINC000516937839 562066096 /nfs/dbraw/zinc/06/60/96/562066096.db2.gz FAOQLWAFXDGJOK-UHFFFAOYSA-N -1 1 351.403 2.259 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000516955159 562067157 /nfs/dbraw/zinc/06/71/57/562067157.db2.gz WYHWYHNSSBGITJ-GOEBONIOSA-N -1 1 354.385 2.406 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CC12CC2 ZINC000517020305 562071585 /nfs/dbraw/zinc/07/15/85/562071585.db2.gz UGNJZDJLZHIVPT-SECBINFHSA-N -1 1 363.266 2.188 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000532879207 562491499 /nfs/dbraw/zinc/49/14/99/562491499.db2.gz DJDRZYOXCDKYOP-YFKPBYRVSA-N -1 1 352.235 2.242 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccn2)C2CCCC2)co1 ZINC000371056599 557060655 /nfs/dbraw/zinc/06/06/55/557060655.db2.gz WTUNGCYTDOPSCY-MRXNPFEDSA-N -1 1 363.439 2.244 20 0 FEADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000371629351 557245478 /nfs/dbraw/zinc/24/54/78/557245478.db2.gz YHDIYUJAMKOVCR-GFCCVEGCSA-N -1 1 359.813 2.153 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H](Oc3ccccc3)C1)c2=O ZINC000371661769 557254626 /nfs/dbraw/zinc/25/46/26/557254626.db2.gz SNSZORMVPXDXOJ-AWEZNQCLSA-N -1 1 352.394 2.358 20 0 FEADMM Cc1cc(NC(=O)c2cccn3c([O-])nnc23)nn1-c1cccc(Cl)c1 ZINC000371669535 557257353 /nfs/dbraw/zinc/25/73/53/557257353.db2.gz GBALQEFZMPJJHO-UHFFFAOYSA-N -1 1 368.784 2.835 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@H](OC)CC2)cc1[N-]S(C)(=O)=O ZINC000371685669 557262940 /nfs/dbraw/zinc/26/29/40/557262940.db2.gz NMIKURHVEAASMX-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000517918371 562100760 /nfs/dbraw/zinc/10/07/60/562100760.db2.gz IAPOHJHEGQWMRM-HOCLYGCPSA-N -1 1 362.474 2.445 20 0 FEADMM CN1C(=O)C[C@@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@H]1c1cccs1 ZINC000371797349 557295958 /nfs/dbraw/zinc/29/59/58/557295958.db2.gz SUPPGWIINVGOIO-YGRLFVJLSA-N -1 1 368.422 2.086 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2ccc(O)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000372031650 557361734 /nfs/dbraw/zinc/36/17/34/557361734.db2.gz COMTWPLNHHRROK-GUYCJALGSA-N -1 1 352.862 2.157 20 0 FEADMM O=S(=O)(Cc1cc(Cl)c2c(c1)OCCCO2)c1n[n-]c(C2CC2)n1 ZINC000518770176 562117979 /nfs/dbraw/zinc/11/79/79/562117979.db2.gz VGPYZOGXJASAAG-UHFFFAOYSA-N -1 1 369.830 2.471 20 0 FEADMM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000372142174 557391232 /nfs/dbraw/zinc/39/12/32/557391232.db2.gz BMHTYODEZGBEBL-OCCSQVGLSA-N -1 1 353.444 2.124 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(C(F)F)cc1 ZINC000518827452 562119355 /nfs/dbraw/zinc/11/93/55/562119355.db2.gz SQZHBTIAMRUHHD-UHFFFAOYSA-N -1 1 351.338 2.401 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)OCC(C)C)c1 ZINC000518874453 562120179 /nfs/dbraw/zinc/12/01/79/562120179.db2.gz CWGBIANOEBRWOZ-ZDUSSCGKSA-N -1 1 372.487 2.422 20 0 FEADMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000519372641 562130309 /nfs/dbraw/zinc/13/03/09/562130309.db2.gz JABXEXWMRHGMSN-UHFFFAOYSA-N -1 1 359.310 2.070 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](n3cccn3)C2)c(=O)[n-]1 ZINC000372551159 557501376 /nfs/dbraw/zinc/50/13/76/557501376.db2.gz AWHJEZMVYPAPIN-CYBMUJFWSA-N -1 1 361.471 2.205 20 0 FEADMM CO[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000372686349 557537524 /nfs/dbraw/zinc/53/75/24/557537524.db2.gz XHQJVACHGXTIRR-GUYCJALGSA-N -1 1 356.422 2.301 20 0 FEADMM CC(C)(c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1)C(F)(F)F ZINC000373127204 557634093 /nfs/dbraw/zinc/63/40/93/557634093.db2.gz XUACZVDXQCQVFU-LBPRGKRZSA-N -1 1 369.347 2.253 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cnn(C(C)C)c32)o1 ZINC000373409087 557688820 /nfs/dbraw/zinc/68/88/20/557688820.db2.gz REKZFJSSWKJUFB-GFCCVEGCSA-N -1 1 367.427 2.200 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-][C@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000373867692 557776580 /nfs/dbraw/zinc/77/65/80/557776580.db2.gz GCZODXOGXDDPEU-JSGCOSHPSA-N -1 1 353.444 2.388 20 0 FEADMM Cc1csc(NC2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000375078749 557974454 /nfs/dbraw/zinc/97/44/54/557974454.db2.gz JYUZXRRNFKGCFY-UHFFFAOYSA-N -1 1 369.450 2.405 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC(N)=O)cc1 ZINC000521454822 562176899 /nfs/dbraw/zinc/17/68/99/562176899.db2.gz RADLZJLACMCAKB-UHFFFAOYSA-N -1 1 366.464 2.464 20 0 FEADMM Cc1nc(S(=O)(=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)n[n-]1 ZINC000375647078 558061827 /nfs/dbraw/zinc/06/18/27/558061827.db2.gz NEMKTZMPDKUTPE-UHFFFAOYSA-N -1 1 373.316 2.156 20 0 FEADMM CO[C@@H](C)c1nc(=NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)s[n-]1 ZINC000375697534 558069171 /nfs/dbraw/zinc/06/91/71/558069171.db2.gz NUWQBGWUTNKYBF-ZFWWWQNUSA-N -1 1 360.483 2.171 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3cccs3)CC2)n1 ZINC000375947345 558104145 /nfs/dbraw/zinc/10/41/45/558104145.db2.gz KXDKPHOTLVQGNA-UHFFFAOYSA-N -1 1 363.443 2.132 20 0 FEADMM O=C(N=c1nc(-c2c(F)cccc2F)[nH][n-]1)c1n[nH]c(=O)c2ccccc21 ZINC000376492933 558180416 /nfs/dbraw/zinc/18/04/16/558180416.db2.gz TVNCXECFCZZASA-UHFFFAOYSA-N -1 1 368.303 2.651 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H]3CCN(c4ccccc4Cl)C3)ccnc1-2 ZINC000376633489 558200565 /nfs/dbraw/zinc/20/05/65/558200565.db2.gz UXTAFMOIICJLKJ-RDGOFQKVSA-N -1 1 370.844 2.396 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@](C(=O)[N-]C2=NCCS2)(C(F)(F)F)C1 ZINC000377142800 558275348 /nfs/dbraw/zinc/27/53/48/558275348.db2.gz RTVPAHIKHQJUKT-ZDUSSCGKSA-N -1 1 367.393 2.395 20 0 FEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@H]1COc2ccccc2[C@@H]1O ZINC000377296094 558308778 /nfs/dbraw/zinc/30/87/78/558308778.db2.gz LESIWUNIWYFFCT-HOCLYGCPSA-N -1 1 371.817 2.393 20 0 FEADMM Cc1cc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)no1 ZINC000522260157 562195369 /nfs/dbraw/zinc/19/53/69/562195369.db2.gz FIBLBWPHBRCGRE-UHFFFAOYSA-N -1 1 353.382 2.098 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(F)c1 ZINC000522054015 562190312 /nfs/dbraw/zinc/19/03/12/562190312.db2.gz YXUXKYSWEXUCSK-UHFFFAOYSA-N -1 1 372.368 2.202 20 0 FEADMM COc1cc(F)ccc1NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000522115071 562191873 /nfs/dbraw/zinc/19/18/73/562191873.db2.gz DEKDAFFCLUQIHC-UHFFFAOYSA-N -1 1 369.356 2.277 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1C(N)=O ZINC000377537530 558359941 /nfs/dbraw/zinc/35/99/41/558359941.db2.gz LOWAHMSKZOQUDP-UHFFFAOYSA-N -1 1 373.434 2.170 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2nc3c(s2)COCC3)c(=O)[n-]1 ZINC000377539394 558360326 /nfs/dbraw/zinc/36/03/26/558360326.db2.gz FWSZMTNSDQMENK-UHFFFAOYSA-N -1 1 366.468 2.313 20 0 FEADMM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000377598309 558373965 /nfs/dbraw/zinc/37/39/65/558373965.db2.gz FZIGHOHEZWKZMY-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c(F)ccc([O-])c1F ZINC000377689777 558397464 /nfs/dbraw/zinc/39/74/64/558397464.db2.gz FCHKLXYYFOGZIM-MRVPVSSYSA-N -1 1 368.286 2.484 20 0 FEADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c(F)ccc([O-])c1F ZINC000377689779 558397644 /nfs/dbraw/zinc/39/76/44/558397644.db2.gz FCHKLXYYFOGZIM-QMMMGPOBSA-N -1 1 368.286 2.484 20 0 FEADMM CC1(c2cc(N3CCN(C(=O)c4c(F)ccc([O-])c4F)CC3)n[nH]2)CC1 ZINC000377856501 558435802 /nfs/dbraw/zinc/43/58/02/558435802.db2.gz PBIZIEGIOCYDGM-UHFFFAOYSA-N -1 1 362.380 2.407 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@@H](c2cn(C)c3ccccc23)C1 ZINC000377865567 558437580 /nfs/dbraw/zinc/43/75/80/558437580.db2.gz SUIFPMQKYFFPGE-GFCCVEGCSA-N -1 1 360.439 2.235 20 0 FEADMM O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000378281613 558518817 /nfs/dbraw/zinc/51/88/17/558518817.db2.gz KDOUXAWRWBUURX-HNNXBMFYSA-N -1 1 370.800 2.129 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000523730377 562218533 /nfs/dbraw/zinc/21/85/33/562218533.db2.gz QCLZLBYOOSFBHO-UHFFFAOYSA-N -1 1 373.434 2.355 20 0 FEADMM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000380386640 558602923 /nfs/dbraw/zinc/60/29/23/558602923.db2.gz SGGNAVQZLYSGES-BDAKNGLRSA-N -1 1 361.179 2.246 20 0 FEADMM Cc1ncc(NC(=O)c2cc(I)ccc2[O-])cn1 ZINC000384150970 558605460 /nfs/dbraw/zinc/60/54/60/558605460.db2.gz GXGJFPNDWNIPST-UHFFFAOYSA-N -1 1 355.135 2.348 20 0 FEADMM CC[C@@H](NC(=O)c1cc(I)ccc1[O-])C(C)(C)O ZINC000394021496 558622022 /nfs/dbraw/zinc/62/20/22/558622022.db2.gz SMCLDELXNXFSPN-LLVKDONJSA-N -1 1 363.195 2.276 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(I)c([O-])c1)C[C@H](C)O ZINC000397816842 558625826 /nfs/dbraw/zinc/62/58/26/558625826.db2.gz LHDMNQMBYHHELL-BDAKNGLRSA-N -1 1 363.195 2.134 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC(OC(F)F)C1 ZINC000399953882 558628711 /nfs/dbraw/zinc/62/87/11/558628711.db2.gz WKZVGHUCKKIFDU-UHFFFAOYSA-N -1 1 369.105 2.060 20 0 FEADMM O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408176046 558653657 /nfs/dbraw/zinc/65/36/57/558653657.db2.gz BORZWMOHXLVGLF-UHYGZKCKSA-N -1 1 355.394 2.222 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000408306468 558665323 /nfs/dbraw/zinc/66/53/23/558665323.db2.gz QHQFOTSDKXUYNC-UHFFFAOYSA-N -1 1 362.474 2.260 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2c(F)ccc(OC)c2OC)s1 ZINC000409568406 558703807 /nfs/dbraw/zinc/70/38/07/558703807.db2.gz ILELSESETAEXTB-UHFFFAOYSA-N -1 1 369.374 2.052 20 0 FEADMM CSc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccc1NC(C)=O ZINC000524576620 562230436 /nfs/dbraw/zinc/23/04/36/562230436.db2.gz RLTJTFKBYZYAEB-UHFFFAOYSA-N -1 1 360.443 2.079 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(Br)cc1Cl ZINC000410298763 558750470 /nfs/dbraw/zinc/75/04/70/558750470.db2.gz FXQPBHIGDBLEBZ-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000410362385 558753089 /nfs/dbraw/zinc/75/30/89/558753089.db2.gz CCOQEMLCGVHUHH-UHFFFAOYSA-N -1 1 362.798 2.183 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1C ZINC000525009307 562239359 /nfs/dbraw/zinc/23/93/59/562239359.db2.gz ONRNGTRMRCWCIZ-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM Cc1nc2cc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)ccc2n1C ZINC000525266575 562244402 /nfs/dbraw/zinc/24/44/02/562244402.db2.gz WSFLIHPRWMDSKC-UHFFFAOYSA-N -1 1 364.409 2.428 20 0 FEADMM CCCC[C@@H](COC)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000525418556 562247928 /nfs/dbraw/zinc/24/79/28/562247928.db2.gz GPCZUNCWABDOSC-ZDUSSCGKSA-N -1 1 373.475 2.393 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1C ZINC000525528357 562249827 /nfs/dbraw/zinc/24/98/27/562249827.db2.gz KGKUQLLQCKTDHW-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Cc1cnc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000525678134 562251870 /nfs/dbraw/zinc/25/18/70/562251870.db2.gz BMSJBKMCFHYVHW-UHFFFAOYSA-N -1 1 357.457 2.051 20 0 FEADMM C[C@@H](c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1)C(F)(F)F ZINC000411764352 558958484 /nfs/dbraw/zinc/95/84/84/558958484.db2.gz XYGUYIFXNYTKIZ-ZETCQYMHSA-N -1 1 362.333 2.126 20 0 FEADMM C[C@@H](c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1)C(F)(F)F ZINC000411764352 558958485 /nfs/dbraw/zinc/95/84/85/558958485.db2.gz XYGUYIFXNYTKIZ-ZETCQYMHSA-N -1 1 362.333 2.126 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1 ZINC000412316932 559027431 /nfs/dbraw/zinc/02/74/31/559027431.db2.gz NYNMWPDOHWKGQH-UHFFFAOYSA-N -1 1 372.425 2.594 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000526947183 562270397 /nfs/dbraw/zinc/27/03/97/562270397.db2.gz DIMDVHFHDVESAH-QWRGUYRKSA-N -1 1 361.847 2.140 20 0 FEADMM COC(=O)[C@@H](C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000414391747 559160986 /nfs/dbraw/zinc/16/09/86/559160986.db2.gz CAGUPOZPHFGMNY-VIFPVBQESA-N -1 1 367.379 2.364 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1n[nH]c(C)c1Br ZINC000414469658 559166795 /nfs/dbraw/zinc/16/67/95/559166795.db2.gz JUPCMFAHDGQYAU-UHFFFAOYSA-N -1 1 360.233 2.428 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)c(OC)c1 ZINC000414476708 559167636 /nfs/dbraw/zinc/16/76/36/559167636.db2.gz KPGRQPWNTGYILH-LBPRGKRZSA-N -1 1 369.361 2.347 20 0 FEADMM O=C([O-])CCCNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000414624614 559176048 /nfs/dbraw/zinc/17/60/48/559176048.db2.gz JEQLKEGDAGVLPA-GFCCVEGCSA-N -1 1 371.319 2.077 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)[n-]1 ZINC000415633689 559256894 /nfs/dbraw/zinc/25/68/94/559256894.db2.gz ABCUCCKPJUXGBP-NSHDSACASA-N -1 1 361.398 2.421 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)n1 ZINC000415633689 559256895 /nfs/dbraw/zinc/25/68/95/559256895.db2.gz ABCUCCKPJUXGBP-NSHDSACASA-N -1 1 361.398 2.421 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccc(C)o1 ZINC000416412449 559311089 /nfs/dbraw/zinc/31/10/89/559311089.db2.gz CXGORTUMTJDLGV-DGCLKSJQSA-N -1 1 353.444 2.348 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)o1 ZINC000416463591 559314989 /nfs/dbraw/zinc/31/49/89/559314989.db2.gz DABNYNPBNYKATG-UHFFFAOYSA-N -1 1 371.846 2.037 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1cc(Cl)c(Br)cc1F ZINC000416522378 559319571 /nfs/dbraw/zinc/31/95/71/559319571.db2.gz FDFIKCJZUYZRFE-NXEZZACHSA-N -1 1 372.643 2.433 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)o1 ZINC000416544296 559320829 /nfs/dbraw/zinc/32/08/29/559320829.db2.gz ZDDARHCXFHVENC-SECBINFHSA-N -1 1 370.452 2.441 20 0 FEADMM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)C2 ZINC000416545220 559320842 /nfs/dbraw/zinc/32/08/42/559320842.db2.gz JLZFIJQXBVBEDL-JTQLQIEISA-N -1 1 372.240 2.496 20 0 FEADMM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000416562857 559322084 /nfs/dbraw/zinc/32/20/84/559322084.db2.gz XCGGANKBUKCWCV-GFCCVEGCSA-N -1 1 357.378 2.028 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@H]1CCCOC1)c1ccc(Cl)c(F)c1Cl ZINC000416618948 559325509 /nfs/dbraw/zinc/32/55/09/559325509.db2.gz WZIUUCWEMXINRR-WPRPVWTQSA-N -1 1 372.245 2.198 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccco2)ccc1[N-]S(C)(=O)=O ZINC000416825611 559334074 /nfs/dbraw/zinc/33/40/74/559334074.db2.gz LPYPOHHLEFFREJ-DGCLKSJQSA-N -1 1 365.411 2.337 20 0 FEADMM O=C([O-])CC[C@H]1CCCN(CC(=O)NCCCOc2ccccc2F)C1 ZINC000420272373 559478223 /nfs/dbraw/zinc/47/82/23/559478223.db2.gz LYCTYCZYXWXRAU-OAHLLOKOSA-N -1 1 366.433 2.288 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1)OC ZINC000420693364 559498423 /nfs/dbraw/zinc/49/84/23/559498423.db2.gz UDQDNTXOKPBYTO-ZIAGYGMSSA-N -1 1 373.862 2.465 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1)OC ZINC000420698133 559498901 /nfs/dbraw/zinc/49/89/01/559498901.db2.gz QBJBRGVNFJBQDT-HUUCEWRRSA-N -1 1 357.472 2.414 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1)OC ZINC000420698132 559498979 /nfs/dbraw/zinc/49/89/79/559498979.db2.gz QBJBRGVNFJBQDT-GJZGRUSLSA-N -1 1 357.472 2.414 20 0 FEADMM CCNC(=O)Nc1c(C)cccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424069665 559653511 /nfs/dbraw/zinc/65/35/11/559653511.db2.gz QEIHQYYFAFPFPT-UHFFFAOYSA-N -1 1 355.460 2.305 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424568569 559669709 /nfs/dbraw/zinc/66/97/09/559669709.db2.gz UGBLOHRRQVHPJJ-MRDQGFSESA-N -1 1 372.490 2.194 20 0 FEADMM Cn1nccc1[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)C(=O)[O-] ZINC000424629806 559671735 /nfs/dbraw/zinc/67/17/35/559671735.db2.gz YIXSTRAQNYCFGS-CYBMUJFWSA-N -1 1 361.295 2.416 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H]3O)ccc2C)c1 ZINC000425059035 559685717 /nfs/dbraw/zinc/68/57/17/559685717.db2.gz KKHIMKFINWPEBH-IAGOWNOFSA-N -1 1 374.462 2.357 20 0 FEADMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)C1(C)C ZINC000425175307 559689533 /nfs/dbraw/zinc/68/95/33/559689533.db2.gz IHRAXYRPOYLMOU-BBRMVZONSA-N -1 1 363.426 2.118 20 0 FEADMM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000425174212 559689542 /nfs/dbraw/zinc/68/95/42/559689542.db2.gz BQBPVEGWKDDASS-CYBMUJFWSA-N -1 1 371.405 2.300 20 0 FEADMM C[C@@H](N=c1ccc(N2CCN(c3ncccn3)CC2)n[n-]1)c1ccccc1 ZINC000425199118 559690823 /nfs/dbraw/zinc/69/08/23/559690823.db2.gz GOIPQTWTBSARJC-MRXNPFEDSA-N -1 1 361.453 2.766 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OCCO)cc2)c(F)c1 ZINC000425212643 559691572 /nfs/dbraw/zinc/69/15/72/559691572.db2.gz YQPMEESMZPFXPW-UHFFFAOYSA-N -1 1 357.378 2.123 20 0 FEADMM Cn1cc(-c2ccc(F)c(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c2)cn1 ZINC000425302040 559695588 /nfs/dbraw/zinc/69/55/88/559695588.db2.gz NCPMRZSLXOBNGS-GFCCVEGCSA-N -1 1 371.372 2.335 20 0 FEADMM CN(C)[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1cccc(Cl)c1 ZINC000425306163 559695764 /nfs/dbraw/zinc/69/57/64/559695764.db2.gz RUIFYMICUNKHPD-OCCSQVGLSA-N -1 1 364.833 2.438 20 0 FEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c2c1 ZINC000425309286 559695973 /nfs/dbraw/zinc/69/59/73/559695973.db2.gz VTOOKKXUUWVAPA-SNVBAGLBSA-N -1 1 372.356 2.496 20 0 FEADMM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425319125 559696532 /nfs/dbraw/zinc/69/65/32/559696532.db2.gz JOSQRGVYDOENBQ-UHFFFAOYSA-N -1 1 353.382 2.196 20 0 FEADMM CC(C)c1nnc([C@@H]2CCCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)[nH]1 ZINC000426096850 559729297 /nfs/dbraw/zinc/72/92/97/559729297.db2.gz AIEOJHVMOZDCRO-ZDUSSCGKSA-N -1 1 369.429 2.283 20 0 FEADMM O=C([O-])[C@@H](Cc1ccco1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426770924 559741630 /nfs/dbraw/zinc/74/16/30/559741630.db2.gz XJHBKQGGZBEJIT-OAHLLOKOSA-N -1 1 364.764 2.438 20 0 FEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(CC(N)=O)cc3)cc2s1 ZINC000427129589 559748680 /nfs/dbraw/zinc/74/86/80/559748680.db2.gz YPWZHJAORQBBRA-UHFFFAOYSA-N -1 1 361.448 2.433 20 0 FEADMM CCOc1cc(C(=O)NCCN2CCO[C@@H](CC)C2)cc(Cl)c1[O-] ZINC000427754137 559761592 /nfs/dbraw/zinc/76/15/92/559761592.db2.gz CTFOYRFEFFESCL-ZDUSSCGKSA-N -1 1 356.850 2.285 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2cccc(O)c2C1)c1ccc(Br)o1 ZINC000428428866 559775489 /nfs/dbraw/zinc/77/54/89/559775489.db2.gz ZLVNZIWVLVSRGF-SECBINFHSA-N -1 1 358.213 2.193 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC(=O)NCc2ccccc2)n1 ZINC000428699265 559781351 /nfs/dbraw/zinc/78/13/51/559781351.db2.gz HDJQTNAOVPHNEX-NSHDSACASA-N -1 1 360.439 2.251 20 0 FEADMM CN1C[C@H](C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c2ccccc2C1=O ZINC000429103897 559790819 /nfs/dbraw/zinc/79/08/19/559790819.db2.gz CZBOWGJZJNMAFD-ZDUSSCGKSA-N -1 1 352.419 2.946 20 0 FEADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC2(c3nn[n-]n3)CC2)s1 ZINC000430315461 559817671 /nfs/dbraw/zinc/81/76/71/559817671.db2.gz FDCFODXWCFPOKQ-UHFFFAOYSA-N -1 1 354.439 2.288 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(NC(N)=O)c1 ZINC000431155938 559834943 /nfs/dbraw/zinc/83/49/43/559834943.db2.gz CHOMUEZCPRXGBJ-UHFFFAOYSA-N -1 1 353.375 2.264 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cncc(F)c1)c1noc(Cc2ccccc2)n1 ZINC000431907199 559848333 /nfs/dbraw/zinc/84/83/33/559848333.db2.gz NCWJXTCJCKCWTN-NSHDSACASA-N -1 1 362.386 2.234 20 0 FEADMM COC(=O)c1ccc(CCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)cc1 ZINC000432118084 559852421 /nfs/dbraw/zinc/85/24/21/559852421.db2.gz UUBZKDYWJHHOBZ-UHFFFAOYSA-N -1 1 368.437 2.590 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccccc1 ZINC000432216219 559854386 /nfs/dbraw/zinc/85/43/86/559854386.db2.gz MCJXNJJYUKTJTB-SFHVURJKSA-N -1 1 373.430 2.398 20 0 FEADMM C[C@@H](CN=c1[n-]c(C(N)=O)cs1)Oc1cccc(Br)c1 ZINC000432317023 559856180 /nfs/dbraw/zinc/85/61/80/559856180.db2.gz DDEHWOXVPVGZRV-QMMMGPOBSA-N -1 1 356.245 2.884 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1Cl ZINC000432638685 559862277 /nfs/dbraw/zinc/86/22/77/559862277.db2.gz OCJUCZFWXCJXHO-UHFFFAOYSA-N -1 1 365.802 2.125 20 0 FEADMM COC(=O)c1c[n-]c(SCc2csc(CC(=O)OC(C)C)n2)n1 ZINC000432668028 559862799 /nfs/dbraw/zinc/86/27/99/559862799.db2.gz VJSBEJUARVAMHA-UHFFFAOYSA-N -1 1 355.441 2.439 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(F)(c3ccccc3)CC2)o1 ZINC000434055063 559893256 /nfs/dbraw/zinc/89/32/56/559893256.db2.gz VKVXVXLHTYVFQQ-UHFFFAOYSA-N -1 1 366.414 2.289 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H](C)c2ccc(OCCO)c(OC)c2)sc1C ZINC000434083348 559893882 /nfs/dbraw/zinc/89/38/82/559893882.db2.gz PHWAIKUAOITERT-JTQLQIEISA-N -1 1 366.439 2.791 20 0 FEADMM COc1ccc(NC(=O)c2cc(O)ccc2OC)cc1[N-]S(C)(=O)=O ZINC000435869901 559931582 /nfs/dbraw/zinc/93/15/82/559931582.db2.gz CZSDYLGDLTYAGU-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(CCNC(C)=O)cc2)n1 ZINC000436196547 559937243 /nfs/dbraw/zinc/93/72/43/559937243.db2.gz HVOHIQJUQZHOCM-UHFFFAOYSA-N -1 1 359.451 2.398 20 0 FEADMM CCc1cc(=O)[n-]c(SCCN(Cc2ccccc2)S(C)(=O)=O)n1 ZINC000436209885 559937689 /nfs/dbraw/zinc/93/76/89/559937689.db2.gz YKECDDHMENXUMH-UHFFFAOYSA-N -1 1 367.496 2.299 20 0 FEADMM O=C(N[C@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436511847 559943809 /nfs/dbraw/zinc/94/38/09/559943809.db2.gz JNLMRISRRQLDFA-WMLDXEAASA-N -1 1 354.406 2.055 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2nc(-c3ccoc3)no2)c1 ZINC000436514940 559943961 /nfs/dbraw/zinc/94/39/61/559943961.db2.gz QZPCRBCEEWQKDJ-UHFFFAOYSA-N -1 1 357.322 2.393 20 0 FEADMM O=C(CNC(=O)c1ccc(Cl)cc1[O-])N[C@@H]1CCOc2ccccc21 ZINC000436522679 559944139 /nfs/dbraw/zinc/94/41/39/559944139.db2.gz WLUSVHBADFPYAO-CQSZACIVSA-N -1 1 360.797 2.415 20 0 FEADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)NCc1ccco1 ZINC000436540932 559944762 /nfs/dbraw/zinc/94/47/62/559944762.db2.gz UVZDVRSDJJTACT-SECBINFHSA-N -1 1 367.199 2.182 20 0 FEADMM C[C@@H]1CC(=O)N[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1 ZINC000436537774 559944808 /nfs/dbraw/zinc/94/48/08/559944808.db2.gz FTMWLYYKVJOSKU-LRDDRELGSA-N -1 1 373.453 2.308 20 0 FEADMM O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1c([O-])cccc1F ZINC000436593507 559946141 /nfs/dbraw/zinc/94/61/41/559946141.db2.gz CIXNSBUCGWAZGJ-UHFFFAOYSA-N -1 1 356.357 2.497 20 0 FEADMM O=C(C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)c1ccc([O-])cc1 ZINC000436608933 559946320 /nfs/dbraw/zinc/94/63/20/559946320.db2.gz VJNOJLHTXJHVMU-YOEHRIQHSA-N -1 1 359.809 2.463 20 0 FEADMM O=C(NC[C@H]1CSCCN1Cc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436620102 559946783 /nfs/dbraw/zinc/94/67/83/559946783.db2.gz ZNBUPQODDHYSBB-KRWDZBQOSA-N -1 1 370.474 2.309 20 0 FEADMM Cc1cc(O)c(C(C)C)cc1C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000436619335 559946787 /nfs/dbraw/zinc/94/67/87/559946787.db2.gz OVYNVAIJEADJPM-UHFFFAOYSA-N -1 1 361.471 2.220 20 0 FEADMM CC1(C)NC(=O)N(c2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)C1=O ZINC000436623425 559946886 /nfs/dbraw/zinc/94/68/86/559946886.db2.gz FMYICTMXJHASTJ-UHFFFAOYSA-N -1 1 367.361 2.048 20 0 FEADMM CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436688157 559948993 /nfs/dbraw/zinc/94/89/93/559948993.db2.gz NUPNYRJJWXMIBG-UHFFFAOYSA-N -1 1 362.407 2.365 20 0 FEADMM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436716469 559949741 /nfs/dbraw/zinc/94/97/41/559949741.db2.gz BGZUIQOEFNOJFS-AWEZNQCLSA-N -1 1 374.872 2.381 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c([O-])c1 ZINC000436754267 559950992 /nfs/dbraw/zinc/95/09/92/559950992.db2.gz GVHCTJSKGXIJJG-UHFFFAOYSA-N -1 1 364.423 2.212 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)ccc1O ZINC000436907358 559956017 /nfs/dbraw/zinc/95/60/17/559956017.db2.gz SIDVBFGUEHSCLO-UHFFFAOYSA-N -1 1 367.427 2.291 20 0 FEADMM CCOC(=O)C(C)(C)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912252 559956130 /nfs/dbraw/zinc/95/61/30/559956130.db2.gz HJJWWHHRFLSIKD-UHFFFAOYSA-N -1 1 352.778 2.359 20 0 FEADMM CCOC(=O)C(C)(C)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912252 559956131 /nfs/dbraw/zinc/95/61/31/559956131.db2.gz HJJWWHHRFLSIKD-UHFFFAOYSA-N -1 1 352.778 2.359 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c1 ZINC000436931111 559956824 /nfs/dbraw/zinc/95/68/24/559956824.db2.gz JKEKQCQOXOBMDX-UHFFFAOYSA-N -1 1 371.393 2.489 20 0 FEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000436943113 559957153 /nfs/dbraw/zinc/95/71/53/559957153.db2.gz YPOILITVWLFGPP-GFCCVEGCSA-N -1 1 351.362 2.426 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)c1 ZINC000437314520 559963242 /nfs/dbraw/zinc/96/32/42/559963242.db2.gz IOXBTKQWCKGXNY-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000442196673 560045981 /nfs/dbraw/zinc/04/59/81/560045981.db2.gz QPAPEHSYYYHCDO-UHFFFAOYSA-N -1 1 371.393 2.063 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)ccc1F ZINC000442245072 560046622 /nfs/dbraw/zinc/04/66/22/560046622.db2.gz UYKVVPJDIGZDMA-UHFFFAOYSA-N -1 1 351.359 2.227 20 0 FEADMM COc1cc(C(=O)NCc2ccc(OCCO)cc2)cc(Cl)c1[O-] ZINC000443063902 560068779 /nfs/dbraw/zinc/06/87/79/560068779.db2.gz OAITUDSELBUQSW-UHFFFAOYSA-N -1 1 351.786 2.355 20 0 FEADMM COc1cc(C(=O)N2CCO[C@H](COCC3CC3)C2)cc(Cl)c1[O-] ZINC000443206288 560074549 /nfs/dbraw/zinc/07/45/49/560074549.db2.gz FVKOLHWRHPTHFS-ZDUSSCGKSA-N -1 1 355.818 2.322 20 0 FEADMM CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(Br)ccc2[O-])C1(C)C ZINC000444586539 560116144 /nfs/dbraw/zinc/11/61/44/560116144.db2.gz OXHMRPZVLHODME-BBRMVZONSA-N -1 1 372.259 2.451 20 0 FEADMM Cn1ncc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1Cc1ccccc1 ZINC000444855781 560122813 /nfs/dbraw/zinc/12/28/13/560122813.db2.gz HXVWGZYTZIDKAM-UHFFFAOYSA-N -1 1 350.304 2.400 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1ccsc1 ZINC000445048717 560127372 /nfs/dbraw/zinc/12/73/72/560127372.db2.gz OLXIXJHBDKLRBY-HNNXBMFYSA-N -1 1 362.432 2.489 20 0 FEADMM CCOC(=O)c1cnn2c1nccc2-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454658 560132365 /nfs/dbraw/zinc/13/23/65/560132365.db2.gz HFAYNUOQVNBEJM-UHFFFAOYSA-N -1 1 369.312 2.468 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])cc1F ZINC000446144140 560140691 /nfs/dbraw/zinc/14/06/91/560140691.db2.gz BKEYVILHUMFGAK-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000446148644 560140715 /nfs/dbraw/zinc/14/07/15/560140715.db2.gz FWAYGWXTJYICQJ-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1F ZINC000446149323 560140830 /nfs/dbraw/zinc/14/08/30/560140830.db2.gz JWYMYRVZGFBTCI-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cn1 ZINC000447260568 560158871 /nfs/dbraw/zinc/15/88/71/560158871.db2.gz MMLFIPCNTVCBAS-UHFFFAOYSA-N -1 1 363.374 2.205 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc2ccc(=O)n(C)c2c1 ZINC000447276951 560159293 /nfs/dbraw/zinc/15/92/93/560159293.db2.gz FNLRDVPKSTZSOK-UHFFFAOYSA-N -1 1 358.419 2.486 20 0 FEADMM CCC(C)(C)NC(=O)CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447489177 560163067 /nfs/dbraw/zinc/16/30/67/560163067.db2.gz DHQASCCROMGJRH-UHFFFAOYSA-N -1 1 353.419 2.294 20 0 FEADMM CCC(C)(C)NC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447489177 560163068 /nfs/dbraw/zinc/16/30/68/560163068.db2.gz DHQASCCROMGJRH-UHFFFAOYSA-N -1 1 353.419 2.294 20 0 FEADMM COc1ccc(-c2nnc(S(=O)(=O)CCC(F)(F)F)[n-]2)c(OC)c1 ZINC000447489354 560163091 /nfs/dbraw/zinc/16/30/91/560163091.db2.gz PBZJZPWZGYGJSV-UHFFFAOYSA-N -1 1 365.333 2.215 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CCC(F)(F)F)n[n-]2)c(OC)c1 ZINC000447489354 560163092 /nfs/dbraw/zinc/16/30/92/560163092.db2.gz PBZJZPWZGYGJSV-UHFFFAOYSA-N -1 1 365.333 2.215 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)ncn2C)c1ccccc1 ZINC000447749791 560168411 /nfs/dbraw/zinc/16/84/11/560168411.db2.gz DXTNWMTZWCAYRH-QGZVFWFLSA-N -1 1 373.434 2.156 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@H]1CCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000447933158 560173591 /nfs/dbraw/zinc/17/35/91/560173591.db2.gz SSCWEQFRQLHVSV-GHMZBOCLSA-N -1 1 373.780 2.177 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H](O)C1CCC1 ZINC000449827108 560241463 /nfs/dbraw/zinc/24/14/63/560241463.db2.gz MFDOLMHPIUBDAY-GOSISDBHSA-N -1 1 374.462 2.265 20 0 FEADMM CC(C)CC(=O)NCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450699584 560270560 /nfs/dbraw/zinc/27/05/60/560270560.db2.gz RGNDHCJZBJRIFA-UHFFFAOYSA-N -1 1 365.821 2.322 20 0 FEADMM CC(C)CC(=O)NCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450699584 560270561 /nfs/dbraw/zinc/27/05/61/560270561.db2.gz RGNDHCJZBJRIFA-UHFFFAOYSA-N -1 1 365.821 2.322 20 0 FEADMM C[C@@H](c1ncc(Br)cn1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450919745 560278526 /nfs/dbraw/zinc/27/85/26/560278526.db2.gz PYTOIZILZPCPGX-QMMMGPOBSA-N -1 1 354.208 2.268 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C2CC2)c(F)c1 ZINC000451010076 560282172 /nfs/dbraw/zinc/28/21/72/560282172.db2.gz SMDXCHJKUZLPHX-SNVBAGLBSA-N -1 1 364.464 2.054 20 0 FEADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1CCOCC1 ZINC000451020150 560282645 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CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H](O)C(F)F ZINC000451709759 560323870 /nfs/dbraw/zinc/32/38/70/560323870.db2.gz KRRUWHQJUSWSIY-PWSUYJOCSA-N -1 1 362.423 2.493 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C1CCC1)c1cc(Br)c(F)cc1F ZINC000452042846 560347261 /nfs/dbraw/zinc/34/72/61/560347261.db2.gz GCYLEMUYQMHUFU-LLVKDONJSA-N -1 1 370.215 2.167 20 0 FEADMM CCOC(=O)c1cc(C(=O)[N-]c2nc(C(C)(C)C(=O)OC)cs2)on1 ZINC000452132660 560353296 /nfs/dbraw/zinc/35/32/96/560353296.db2.gz FSZKCDZJTMJCOQ-UHFFFAOYSA-N -1 1 367.383 2.011 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCC2CCOCC2)o1 ZINC000452207791 560355451 /nfs/dbraw/zinc/35/54/51/560355451.db2.gz IZIDCWYPLUTGJP-UHFFFAOYSA-N -1 1 372.487 2.293 20 0 FEADMM CO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1(C)C ZINC000452848063 560376058 /nfs/dbraw/zinc/37/60/58/560376058.db2.gz MZWNMNFJYSGISE-ZDUSSCGKSA-N -1 1 372.487 2.244 20 0 FEADMM CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000454367536 560441891 /nfs/dbraw/zinc/44/18/91/560441891.db2.gz OGGGOKFEMVCBSS-IBGZPJMESA-N -1 1 357.410 2.117 20 0 FEADMM CC[C@@](C)(CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)OC ZINC000454894962 560462567 /nfs/dbraw/zinc/46/25/67/560462567.db2.gz NYOCNDSUELLION-HNNXBMFYSA-N -1 1 359.448 2.003 20 0 FEADMM CCO[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000454905824 560462913 /nfs/dbraw/zinc/46/29/13/560462913.db2.gz ZDZJUDWJJUQIKC-IUODEOHRSA-N -1 1 371.459 2.146 20 0 FEADMM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000456181463 560509965 /nfs/dbraw/zinc/50/99/65/560509965.db2.gz DGWCMKIJVSRVLH-LLVKDONJSA-N -1 1 365.373 2.450 20 0 FEADMM COc1cc(C(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000456650550 560527275 /nfs/dbraw/zinc/52/72/75/560527275.db2.gz DLEOOOHZSHCBHO-JMCQJSRRSA-N -1 1 353.724 2.440 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)C1(O)CCCC1 ZINC000456865633 560534807 /nfs/dbraw/zinc/53/48/07/560534807.db2.gz XLQWEWSQJIOQPL-UHFFFAOYSA-N -1 1 360.458 2.042 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1cncc(F)c1 ZINC000457894016 560592808 /nfs/dbraw/zinc/59/28/08/560592808.db2.gz QALUGDZSJRJOJU-JTQLQIEISA-N -1 1 357.389 2.396 20 0 FEADMM CC/C=C/CNC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000459020500 560662263 /nfs/dbraw/zinc/66/22/63/560662263.db2.gz RUEMKYIRLWDKMG-AATRIKPKSA-N -1 1 357.414 2.414 20 0 FEADMM CCOc1cc(C[N@@H+]2CC[C@@](CO)(COC)C2)cc(Br)c1O ZINC000459560493 560694167 /nfs/dbraw/zinc/69/41/67/560694167.db2.gz ALEHWFJMSRAGEJ-MRXNPFEDSA-N -1 1 374.275 2.384 20 0 FEADMM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3C)cc21 ZINC000460823601 560752661 /nfs/dbraw/zinc/75/26/61/560752661.db2.gz NEDDKWNOIXGFMD-UHFFFAOYSA-N -1 1 357.435 2.497 20 0 FEADMM CCn1nc(C)c(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1C ZINC000460836790 560753003 /nfs/dbraw/zinc/75/30/03/560753003.db2.gz AWQMKNWNNREGJL-UHFFFAOYSA-N -1 1 353.400 2.027 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc12 ZINC000461345665 560767458 /nfs/dbraw/zinc/76/74/58/560767458.db2.gz DDCRIZXWTUSLHU-UHFFFAOYSA-N -1 1 372.406 2.127 20 0 FEADMM CC[C@H](Nc1ccccc1)C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000461466637 560773018 /nfs/dbraw/zinc/77/30/18/560773018.db2.gz YPGFAZVFXUFUKT-AWEZNQCLSA-N -1 1 363.439 2.130 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1 ZINC000462099448 560797027 /nfs/dbraw/zinc/79/70/27/560797027.db2.gz FJWLULXIGZHVTJ-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1O ZINC000462370078 560807866 /nfs/dbraw/zinc/80/78/66/560807866.db2.gz MMGWZCHFCNZVHA-UHFFFAOYSA-N -1 1 358.419 2.337 20 0 FEADMM COC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000464483551 560842940 /nfs/dbraw/zinc/84/29/40/560842940.db2.gz QQJHMLAAUYIMNF-UHFFFAOYSA-N -1 1 374.418 2.379 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCC(=O)N(C)C3CCCCC3)cnc2n1 ZINC000465466731 560865511 /nfs/dbraw/zinc/86/55/11/560865511.db2.gz OHUWLJIDYJNLNV-UHFFFAOYSA-N -1 1 356.426 2.165 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC(=O)N(C)C1CCCCC1)c2=O ZINC000465466731 560865512 /nfs/dbraw/zinc/86/55/12/560865512.db2.gz OHUWLJIDYJNLNV-UHFFFAOYSA-N -1 1 356.426 2.165 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)c1 ZINC000465464556 560865579 /nfs/dbraw/zinc/86/55/79/560865579.db2.gz GUXKRBVUFRGNQC-ZDUSSCGKSA-N -1 1 357.410 2.061 20 0 FEADMM COc1ccc(NC(=O)N(C)CC[C@@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000466587586 560890676 /nfs/dbraw/zinc/89/06/76/560890676.db2.gz MMLNCEDRKYBREP-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM COc1cc(NC(=O)c2cn(C(C)C)cn2)ccc1[N-]S(C)(=O)=O ZINC000467076172 560902987 /nfs/dbraw/zinc/90/29/87/560902987.db2.gz SVNAQZQVAYOPEM-UHFFFAOYSA-N -1 1 352.416 2.096 20 0 FEADMM CC(C)(C)c1nc(=NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)s[n-]1 ZINC000467361037 560908994 /nfs/dbraw/zinc/90/89/94/560908994.db2.gz YFJWKSZRCYJZFL-LLVKDONJSA-N -1 1 357.443 2.287 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000467864444 560919037 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FEADMM CC[C@H](NC(=O)c1ncccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000473658130 561055301 /nfs/dbraw/zinc/05/53/01/561055301.db2.gz GOIOZFPEXZZEKH-FUHWJXTLSA-N -1 1 355.438 2.197 20 0 FEADMM Cc1nc[nH]c1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000473958271 561062114 /nfs/dbraw/zinc/06/21/14/561062114.db2.gz GEJIZJFODVBSOA-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2oc3ccccc3c2OC)o1 ZINC000474368714 561072385 /nfs/dbraw/zinc/07/23/85/561072385.db2.gz BYUYNKVBJCYEOG-UHFFFAOYSA-N -1 1 365.363 2.300 20 0 FEADMM CCCc1nc(C(=O)NC(C)(C)c2nn[n-]n2)nn1-c1ccccc1Cl ZINC000474996725 561087294 /nfs/dbraw/zinc/08/72/94/561087294.db2.gz IOYZUPZHLCSBFP-UHFFFAOYSA-N -1 1 374.836 2.051 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1C ZINC000476378740 561118047 /nfs/dbraw/zinc/11/80/47/561118047.db2.gz PGXIIYPJSGZHQS-UHFFFAOYSA-N -1 1 363.391 2.354 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1C ZINC000476412861 561118776 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NS(=O)(=O)c1ccc([O-])c(NC(=O)C2CCc3ccccc3CC2)c1 ZINC000528951754 562354159 /nfs/dbraw/zinc/35/41/59/562354159.db2.gz RFZQPPUEKQGMRB-UHFFFAOYSA-N -1 1 360.435 2.173 20 0 FEADMM C[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])[C@H]1C1CC1 ZINC000528954732 562354240 /nfs/dbraw/zinc/35/42/40/562354240.db2.gz WSHSLOZYSVELQL-OZUAJXCXSA-N -1 1 350.440 2.064 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCCC12CC2 ZINC000528954947 562354251 /nfs/dbraw/zinc/35/42/51/562354251.db2.gz ZNNGHXOXUNFTDM-CYBMUJFWSA-N -1 1 350.440 2.352 20 0 FEADMM Cc1ccc(-c2nn(C)cc2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)o1 ZINC000529269996 562366787 /nfs/dbraw/zinc/36/67/87/562366787.db2.gz CTPYAHGZJXUSMO-UHFFFAOYSA-N -1 1 357.370 2.097 20 0 FEADMM CCC(C)(C)OC1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000529811993 562386405 /nfs/dbraw/zinc/38/64/05/562386405.db2.gz HLFUASCUOOJSKU-UHFFFAOYSA-N -1 1 370.453 2.099 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ccc(OC)c(F)c2)o1 ZINC000529850009 562388801 /nfs/dbraw/zinc/38/88/01/562388801.db2.gz XXYORRJHAGEVRP-UHFFFAOYSA-N -1 1 370.402 2.001 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000529989257 562393635 /nfs/dbraw/zinc/39/36/35/562393635.db2.gz ZVESWTRJIJAJHK-IMODNSLOSA-N -1 1 356.426 2.023 20 0 FEADMM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(F)c1[O-])C2=O ZINC000530004107 562394269 /nfs/dbraw/zinc/39/42/69/562394269.db2.gz AXXPQGGVGLDAIK-SFHVURJKSA-N -1 1 363.389 2.361 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3COC3)c2)cc1 ZINC000530113889 562398668 /nfs/dbraw/zinc/39/86/68/562398668.db2.gz XXVCEEDQLXSFRD-UHFFFAOYSA-N -1 1 360.435 2.172 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)n1 ZINC000530156191 562400494 /nfs/dbraw/zinc/40/04/94/562400494.db2.gz RFRMHQAOHXLRBO-UHFFFAOYSA-N -1 1 366.321 2.075 20 0 FEADMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)n1[C@H]1CCOC1 ZINC000530261702 562404552 /nfs/dbraw/zinc/40/45/52/562404552.db2.gz DZYQIQVKABYDFW-DOTOQJQBSA-N -1 1 366.425 2.099 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(-n3cccn3)cc2)sc1C ZINC000530826234 562425414 /nfs/dbraw/zinc/42/54/14/562425414.db2.gz RIRFRRVGSOSNNN-UHFFFAOYSA-N -1 1 362.480 2.467 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)on1 ZINC000530967040 562430289 /nfs/dbraw/zinc/43/02/89/562430289.db2.gz SGDICUIIARZZJT-LBPRGKRZSA-N -1 1 362.411 2.137 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1C(N)=O ZINC000531522356 562448520 /nfs/dbraw/zinc/44/85/20/562448520.db2.gz OLTNKOBGMLXDSL-UHFFFAOYSA-N -1 1 373.434 2.124 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000532574633 562481956 /nfs/dbraw/zinc/48/19/56/562481956.db2.gz UWGIOZRKPVNVTG-NSHDSACASA-N -1 1 353.423 2.103 20 0 FEADMM O=C(Cc1cccc(OC(F)(F)F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000532652779 562484601 /nfs/dbraw/zinc/48/46/01/562484601.db2.gz BYDDMWXPJBOSSP-UHFFFAOYSA-N -1 1 355.320 2.227 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c1 ZINC000533448995 562509281 /nfs/dbraw/zinc/50/92/81/562509281.db2.gz NZXCLEQTNHFLSI-UHFFFAOYSA-N -1 1 371.422 2.364 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CC)c1ccccc1 ZINC000533547398 562512404 /nfs/dbraw/zinc/51/24/04/562512404.db2.gz AWKHEENSJIGLOZ-LBPRGKRZSA-N -1 1 351.428 2.059 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccccc1)c1ccc(F)c(F)c1F ZINC000533700057 562516483 /nfs/dbraw/zinc/51/64/83/562516483.db2.gz DLHVJPLTINXAIT-GFCCVEGCSA-N -1 1 359.369 2.233 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000534481310 562534907 /nfs/dbraw/zinc/53/49/07/562534907.db2.gz HRBIQPDMRUMWQJ-UHFFFAOYSA-N -1 1 362.407 2.454 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)cc1F ZINC000535139271 562551788 /nfs/dbraw/zinc/55/17/88/562551788.db2.gz WVQMHSYMZBIOAX-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CC[C@@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@@H]1CCCO1 ZINC000535216009 562553312 /nfs/dbraw/zinc/55/33/12/562553312.db2.gz LTHBKKDZTKWTDF-OCCSQVGLSA-N -1 1 371.459 2.146 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4ncccc4F)CC3)cnc2n1 ZINC000535652937 562563473 /nfs/dbraw/zinc/56/34/73/562563473.db2.gz PQZCMXIQFYODAJ-UHFFFAOYSA-N -1 1 367.384 2.140 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(c4ncccc4F)CC3)c[n-]c2n1 ZINC000535652937 562563474 /nfs/dbraw/zinc/56/34/74/562563474.db2.gz PQZCMXIQFYODAJ-UHFFFAOYSA-N -1 1 367.384 2.140 20 0 FEADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C)cnc1N ZINC000536904893 562582399 /nfs/dbraw/zinc/58/23/99/562582399.db2.gz LMZQNSZRKLGPNY-UHFFFAOYSA-N -1 1 353.425 2.193 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1CC(=O)[O-] ZINC000537036096 562584318 /nfs/dbraw/zinc/58/43/18/562584318.db2.gz MCNNGIZEHXZNPT-UHFFFAOYSA-N -1 1 367.427 2.075 20 0 FEADMM CC(C)OCc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540805775 562593587 /nfs/dbraw/zinc/59/35/87/562593587.db2.gz UIEYPPMJUKRRKC-UHFFFAOYSA-N -1 1 364.423 2.217 20 0 FEADMM O=S(=O)([N-]c1ccc2nncn2c1)c1ccc(OCC(F)(F)F)cc1 ZINC000541005343 562600117 /nfs/dbraw/zinc/60/01/17/562600117.db2.gz QGUCQHVTORYYCW-UHFFFAOYSA-N -1 1 372.328 2.471 20 0 FEADMM COc1cc(C(=O)[N-]c2ccccc2S(=O)(=O)NC(C)(C)C)on1 ZINC000541570990 562615613 /nfs/dbraw/zinc/61/56/13/562615613.db2.gz AYGREHCZZVZHCV-UHFFFAOYSA-N -1 1 353.400 2.012 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c1OC ZINC000556305340 674396181 /nfs/dbraw/zinc/39/61/81/674396181.db2.gz YAFIGRCVPKSPCI-UHFFFAOYSA-N -1 1 373.818 2.276 20 0 FEADMM C[C@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(C)(F)F ZINC000556339104 674397873 /nfs/dbraw/zinc/39/78/73/674397873.db2.gz VRAZUCQWQANNSK-GXTWGEPZSA-N -1 1 360.426 2.254 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1F ZINC000556378326 674399849 /nfs/dbraw/zinc/39/98/49/674399849.db2.gz YAMGHPDPPZQQFD-UHFFFAOYSA-N -1 1 374.796 2.327 20 0 FEADMM CCOC(=O)[C@@]1(C)CN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)CCO1 ZINC000601912314 567872613 /nfs/dbraw/zinc/87/26/13/567872613.db2.gz REMLEPOLLJHMGP-QGZVFWFLSA-N -1 1 371.817 2.239 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)CSCc2ccccc2)n[n-]1 ZINC000603013616 568047713 /nfs/dbraw/zinc/04/77/13/568047713.db2.gz DCXBWSBSYADLMK-LBPRGKRZSA-N -1 1 362.455 2.167 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)CSCc2ccccc2)n1 ZINC000603013616 568047715 /nfs/dbraw/zinc/04/77/15/568047715.db2.gz DCXBWSBSYADLMK-LBPRGKRZSA-N -1 1 362.455 2.167 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2ccc(F)cc2C(F)(F)F)n[n-]1 ZINC000603017147 568051988 /nfs/dbraw/zinc/05/19/88/568051988.db2.gz POHWNCZEXVVZAJ-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000603017147 568051989 /nfs/dbraw/zinc/05/19/89/568051989.db2.gz POHWNCZEXVVZAJ-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2scc(Br)c2C)n[n-]1 ZINC000603019734 568052286 /nfs/dbraw/zinc/05/22/86/568052286.db2.gz DANYXMGGSXNIQU-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2scc(Br)c2C)n1 ZINC000603019734 568052287 /nfs/dbraw/zinc/05/22/87/568052287.db2.gz DANYXMGGSXNIQU-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(F)c(Cl)c2F)n[n-]1 ZINC000603153061 568065205 /nfs/dbraw/zinc/06/52/05/568065205.db2.gz GFTYMCYLWSVGFU-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(F)c(Cl)c2F)[n-]1 ZINC000603153061 568065206 /nfs/dbraw/zinc/06/52/06/568065206.db2.gz GFTYMCYLWSVGFU-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000603153061 568065207 /nfs/dbraw/zinc/06/52/07/568065207.db2.gz GFTYMCYLWSVGFU-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCCc2c(F)cccc2F)n[n-]1 ZINC000603156595 568068735 /nfs/dbraw/zinc/06/87/35/568068735.db2.gz STDDTPYBTREIRU-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCCc2c(F)cccc2F)[n-]1 ZINC000603156595 568068736 /nfs/dbraw/zinc/06/87/36/568068736.db2.gz STDDTPYBTREIRU-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCCc2c(F)cccc2F)n1 ZINC000603156595 568068737 /nfs/dbraw/zinc/06/87/37/568068737.db2.gz STDDTPYBTREIRU-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n[n-]1 ZINC000603157244 568068831 /nfs/dbraw/zinc/06/88/31/568068831.db2.gz VGYSWDXLDVXHHU-GDPRMGEGSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)[n-]1 ZINC000603157244 568068832 /nfs/dbraw/zinc/06/88/32/568068832.db2.gz VGYSWDXLDVXHHU-GDPRMGEGSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000603157244 568068833 /nfs/dbraw/zinc/06/88/33/568068833.db2.gz VGYSWDXLDVXHHU-GDPRMGEGSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000603165902 568070084 /nfs/dbraw/zinc/07/00/84/568070084.db2.gz MOSXXKRYHVJMLP-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000603165902 568070085 /nfs/dbraw/zinc/07/00/85/568070085.db2.gz MOSXXKRYHVJMLP-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000603165902 568070086 /nfs/dbraw/zinc/07/00/86/568070086.db2.gz MOSXXKRYHVJMLP-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000603166798 568070379 /nfs/dbraw/zinc/07/03/79/568070379.db2.gz RXCHSHSGOHOLMG-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)[n-]1 ZINC000603166798 568070380 /nfs/dbraw/zinc/07/03/80/568070380.db2.gz RXCHSHSGOHOLMG-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000603166798 568070381 /nfs/dbraw/zinc/07/03/81/568070381.db2.gz RXCHSHSGOHOLMG-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000563123756 568249858 /nfs/dbraw/zinc/24/98/58/568249858.db2.gz GZYQLDIETHOKJH-GWCFXTLKSA-N -1 1 355.232 2.430 20 0 FEADMM C[C@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000563123756 568249859 /nfs/dbraw/zinc/24/98/59/568249859.db2.gz GZYQLDIETHOKJH-GWCFXTLKSA-N -1 1 355.232 2.430 20 0 FEADMM COCc1csc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC000604292036 568243685 /nfs/dbraw/zinc/24/36/85/568243685.db2.gz NWDDCQKBKOPDLV-UHFFFAOYSA-N -1 1 354.457 2.387 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@@H]1CCCOC1 ZINC000628305855 568249806 /nfs/dbraw/zinc/24/98/06/568249806.db2.gz YVDZDLAWYRGMHD-HNNXBMFYSA-N -1 1 370.453 2.418 20 0 FEADMM C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736199871 598840696 /nfs/dbraw/zinc/84/06/96/598840696.db2.gz BKBRIAJJOUZOTA-NSHDSACASA-N -1 1 361.402 2.388 20 0 FEADMM C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736199871 598840698 /nfs/dbraw/zinc/84/06/98/598840698.db2.gz BKBRIAJJOUZOTA-NSHDSACASA-N -1 1 361.402 2.388 20 0 FEADMM CCNc1nnc(Sc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000736583003 598956061 /nfs/dbraw/zinc/95/60/61/598956061.db2.gz QOPIODFGPUYJBY-UHFFFAOYSA-N -1 1 357.428 2.244 20 0 FEADMM CC(C)c1ncc2c(n1)CN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000735942822 598966229 /nfs/dbraw/zinc/96/62/29/598966229.db2.gz MFTICEFWVITTBU-UHFFFAOYSA-N -1 1 373.424 2.286 20 0 FEADMM CC(C)c1ncc2c(n1)CN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000735942822 598966230 /nfs/dbraw/zinc/96/62/30/598966230.db2.gz MFTICEFWVITTBU-UHFFFAOYSA-N -1 1 373.424 2.286 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736292544 598970627 /nfs/dbraw/zinc/97/06/27/598970627.db2.gz KLAVSRUZIOJSQC-RYUDHWBXSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736292544 598970628 /nfs/dbraw/zinc/97/06/28/598970628.db2.gz KLAVSRUZIOJSQC-RYUDHWBXSA-N -1 1 359.434 2.001 20 0 FEADMM COc1cc(OC)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000737050894 598982020 /nfs/dbraw/zinc/98/20/20/598982020.db2.gz HGFHCUUQZIGCPE-UHFFFAOYSA-N -1 1 360.761 2.185 20 0 FEADMM COc1cc(OC)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737050894 598982023 /nfs/dbraw/zinc/98/20/23/598982023.db2.gz HGFHCUUQZIGCPE-UHFFFAOYSA-N -1 1 360.761 2.185 20 0 FEADMM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738175369 598987453 /nfs/dbraw/zinc/98/74/53/598987453.db2.gz XVAIUKHYUOVUPP-UHFFFAOYSA-N -1 1 364.287 2.455 20 0 FEADMM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738175369 598987455 /nfs/dbraw/zinc/98/74/55/598987455.db2.gz XVAIUKHYUOVUPP-UHFFFAOYSA-N -1 1 364.287 2.455 20 0 FEADMM CC(C)c1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735928926 598991967 /nfs/dbraw/zinc/99/19/67/598991967.db2.gz RVYFIEWDMYDBCK-UHFFFAOYSA-N -1 1 352.398 2.194 20 0 FEADMM CC(C)c1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735928926 598991968 /nfs/dbraw/zinc/99/19/68/598991968.db2.gz RVYFIEWDMYDBCK-UHFFFAOYSA-N -1 1 352.398 2.194 20 0 FEADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737588748 598998803 /nfs/dbraw/zinc/99/88/03/598998803.db2.gz AGVSHIYNDIEBOT-INIZCTEOSA-N -1 1 374.408 2.126 20 0 FEADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737588748 598998804 /nfs/dbraw/zinc/99/88/04/598998804.db2.gz AGVSHIYNDIEBOT-INIZCTEOSA-N -1 1 374.408 2.126 20 0 FEADMM O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738212813 598999610 /nfs/dbraw/zinc/99/96/10/598999610.db2.gz UXNBGPBCPDEAKT-UHFFFAOYSA-N -1 1 359.321 2.402 20 0 FEADMM O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738212813 598999612 /nfs/dbraw/zinc/99/96/12/598999612.db2.gz UXNBGPBCPDEAKT-UHFFFAOYSA-N -1 1 359.321 2.402 20 0 FEADMM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738196250 599003670 /nfs/dbraw/zinc/00/36/70/599003670.db2.gz UXGICXCJNYCWHN-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738196250 599003672 /nfs/dbraw/zinc/00/36/72/599003672.db2.gz UXGICXCJNYCWHN-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM CC1CCC(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)CC1 ZINC000736244975 599004218 /nfs/dbraw/zinc/00/42/18/599004218.db2.gz QLTLPYMSVDUNKW-UHFFFAOYSA-N -1 1 370.457 2.462 20 0 FEADMM CC1CCC(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC000736244975 599004220 /nfs/dbraw/zinc/00/42/20/599004220.db2.gz QLTLPYMSVDUNKW-UHFFFAOYSA-N -1 1 370.457 2.462 20 0 FEADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736228974 599332014 /nfs/dbraw/zinc/33/20/14/599332014.db2.gz PFMLUHZZZLGYGQ-AOOOYVTPSA-N -1 1 355.851 2.187 20 0 FEADMM CCO[C@@H](C)c1noc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000821346434 599072354 /nfs/dbraw/zinc/07/23/54/599072354.db2.gz JAPIYIILVCDVTA-LURJTMIESA-N -1 1 370.826 2.094 20 0 FEADMM CCO[C@@H](C)c1noc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000821346434 599072356 /nfs/dbraw/zinc/07/23/56/599072356.db2.gz JAPIYIILVCDVTA-LURJTMIESA-N -1 1 370.826 2.094 20 0 FEADMM Cc1ccc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n[nH]2)s1 ZINC000737286904 599109092 /nfs/dbraw/zinc/10/90/92/599109092.db2.gz AYDBKFXONVJCBN-UHFFFAOYSA-N -1 1 352.383 2.274 20 0 FEADMM Cc1ccc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n[nH]2)s1 ZINC000737286904 599109093 /nfs/dbraw/zinc/10/90/93/599109093.db2.gz AYDBKFXONVJCBN-UHFFFAOYSA-N -1 1 352.383 2.274 20 0 FEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2ncnn2C)n1 ZINC000737246458 599111614 /nfs/dbraw/zinc/11/16/14/599111614.db2.gz UUCRMLBPLJTDJZ-UHFFFAOYSA-N -1 1 356.337 2.010 20 0 FEADMM COC[C@@H](C)Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC000821682731 599123175 /nfs/dbraw/zinc/12/31/75/599123175.db2.gz MOMZIUZORBXOJA-SECBINFHSA-N -1 1 374.426 2.165 20 0 FEADMM CC(C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820038085 599343644 /nfs/dbraw/zinc/34/36/44/599343644.db2.gz KJWAXJMEEYXXJU-LBPRGKRZSA-N -1 1 353.423 2.205 20 0 FEADMM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736690237 599140348 /nfs/dbraw/zinc/14/03/48/599140348.db2.gz HRWDQRVGWQGULA-NSHDSACASA-N -1 1 366.381 2.008 20 0 FEADMM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736690237 599140352 /nfs/dbraw/zinc/14/03/52/599140352.db2.gz HRWDQRVGWQGULA-NSHDSACASA-N -1 1 366.381 2.008 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000818374354 597062307 /nfs/dbraw/zinc/06/23/07/597062307.db2.gz LTYWSVBQHPOOHL-BBRMVZONSA-N -1 1 351.422 2.325 20 0 FEADMM COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)nc1 ZINC000737105026 599251913 /nfs/dbraw/zinc/25/19/13/599251913.db2.gz VKWGAXXNMDJSQV-UHFFFAOYSA-N -1 1 365.353 2.215 20 0 FEADMM COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)nc1 ZINC000737105026 599251914 /nfs/dbraw/zinc/25/19/14/599251914.db2.gz VKWGAXXNMDJSQV-UHFFFAOYSA-N -1 1 365.353 2.215 20 0 FEADMM Cc1cccc(C(C)C)c1NC(=O)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC000822289437 607348724 /nfs/dbraw/zinc/34/87/24/607348724.db2.gz XDFJVYFHXFBBEY-UHFFFAOYSA-N -1 1 366.425 2.407 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)s1 ZINC000736129893 598263600 /nfs/dbraw/zinc/26/36/00/598263600.db2.gz JMGXLBIQBWIAOG-ZETCQYMHSA-N -1 1 370.847 2.016 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)s1 ZINC000736129893 598263601 /nfs/dbraw/zinc/26/36/01/598263601.db2.gz JMGXLBIQBWIAOG-ZETCQYMHSA-N -1 1 370.847 2.016 20 0 FEADMM O=S(=O)(N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344530 598273287 /nfs/dbraw/zinc/27/32/87/598273287.db2.gz XKRKXRKFILWJTJ-OAHLLOKOSA-N -1 1 370.438 2.008 20 0 FEADMM O=S(=O)(N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344530 598273289 /nfs/dbraw/zinc/27/32/89/598273289.db2.gz XKRKXRKFILWJTJ-OAHLLOKOSA-N -1 1 370.438 2.008 20 0 FEADMM CC[C@H](C)c1ccc(NC(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC000820881542 607349335 /nfs/dbraw/zinc/34/93/35/607349335.db2.gz AEJVOVVVSJEGEA-LBPRGKRZSA-N -1 1 366.425 2.489 20 0 FEADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802063 674430281 /nfs/dbraw/zinc/43/02/81/674430281.db2.gz NVGVYNGJRROXQK-VSBZFQJLSA-N -1 1 362.392 2.296 20 0 FEADMM Cc1nc(-c2nn[n-]n2)c(NNC(=S)Nc2ccc(OC(C)C)cc2)o1 ZINC000737466939 598322492 /nfs/dbraw/zinc/32/24/92/598322492.db2.gz IEFGTCRHCIHWSK-UHFFFAOYSA-N -1 1 374.430 2.264 20 0 FEADMM FC(F)(F)COc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737626090 598344045 /nfs/dbraw/zinc/34/40/45/598344045.db2.gz HWCCNUGRMLYCEV-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737626090 598344047 /nfs/dbraw/zinc/34/40/47/598344047.db2.gz HWCCNUGRMLYCEV-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)c1nccnc1-c1nnn[n-]1 ZINC000736798359 598345631 /nfs/dbraw/zinc/34/56/31/598345631.db2.gz WXUYXOUYHZSSJM-UHFFFAOYSA-N -1 1 361.413 2.116 20 0 FEADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)c1nccnc1-c1nn[n-]n1 ZINC000736798359 598345633 /nfs/dbraw/zinc/34/56/33/598345633.db2.gz WXUYXOUYHZSSJM-UHFFFAOYSA-N -1 1 361.413 2.116 20 0 FEADMM O=C(c1ccc(Cl)cc1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738259347 598347517 /nfs/dbraw/zinc/34/75/17/598347517.db2.gz ZIEBSGGUTPNCRW-UHFFFAOYSA-N -1 1 369.816 2.409 20 0 FEADMM O=C(c1ccc(Cl)cc1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738259347 598347518 /nfs/dbraw/zinc/34/75/18/598347518.db2.gz ZIEBSGGUTPNCRW-UHFFFAOYSA-N -1 1 369.816 2.409 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@H](Nc2nccnc2-c2nnn[n-]2)C3)cc1 ZINC000738421752 598352159 /nfs/dbraw/zinc/35/21/59/598352159.db2.gz FSKIGBZVZMMATB-AWEZNQCLSA-N -1 1 371.408 2.083 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@H](Nc2nccnc2-c2nn[n-]n2)C3)cc1 ZINC000738421752 598352161 /nfs/dbraw/zinc/35/21/61/598352161.db2.gz FSKIGBZVZMMATB-AWEZNQCLSA-N -1 1 371.408 2.083 20 0 FEADMM CCc1nn(CC(=O)c2ccc(Cl)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705351 598378106 /nfs/dbraw/zinc/37/81/06/598378106.db2.gz GXSZCOWIRWDHOO-UHFFFAOYSA-N -1 1 372.816 2.085 20 0 FEADMM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736177804 598404773 /nfs/dbraw/zinc/40/47/73/598404773.db2.gz VMQCYMAKNHZSGA-LURJTMIESA-N -1 1 368.184 2.060 20 0 FEADMM Cc1nn(-c2ccccc2)c(COc2nc(C(C)C)no2)c1-c1nn[n-]n1 ZINC000737502981 598434348 /nfs/dbraw/zinc/43/43/48/598434348.db2.gz DVSUYODPJIBEDS-UHFFFAOYSA-N -1 1 366.385 2.446 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736290156 598663523 /nfs/dbraw/zinc/66/35/23/598663523.db2.gz PAPTVKVRIVZNLO-SNVBAGLBSA-N -1 1 359.386 2.318 20 0 FEADMM COC(=O)N(C)CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000808113074 674441745 /nfs/dbraw/zinc/44/17/45/674441745.db2.gz WDRNFORAMOKHRA-UHFFFAOYSA-N -1 1 351.584 2.445 20 0 FEADMM O=S(=O)(Oc1ccc2ncccc2c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339868 598693826 /nfs/dbraw/zinc/69/38/26/598693826.db2.gz PVTJPPCYDRNYKS-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM Cn1cccc1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000737611076 598721043 /nfs/dbraw/zinc/72/10/43/598721043.db2.gz BZWBXZGFQPFPJR-UHFFFAOYSA-N -1 1 368.784 2.056 20 0 FEADMM COc1ccccc1OCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000557334837 674445518 /nfs/dbraw/zinc/44/55/18/674445518.db2.gz OXXNLRSCDVJTEB-UHFFFAOYSA-N -1 1 368.386 2.223 20 0 FEADMM C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820684452 599327369 /nfs/dbraw/zinc/32/73/69/599327369.db2.gz PZQOSSUEBUSEHA-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820684452 599327372 /nfs/dbraw/zinc/32/73/72/599327372.db2.gz PZQOSSUEBUSEHA-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM CC(C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820038085 599343642 /nfs/dbraw/zinc/34/36/42/599343642.db2.gz KJWAXJMEEYXXJU-LBPRGKRZSA-N -1 1 353.423 2.205 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]2CCC[C@H]21 ZINC000823607394 599359500 /nfs/dbraw/zinc/35/95/00/599359500.db2.gz TVYAQBLWPVGHKL-ZYHUDNBSSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]2CCC[C@H]21 ZINC000823607394 599359504 /nfs/dbraw/zinc/35/95/04/599359504.db2.gz TVYAQBLWPVGHKL-ZYHUDNBSSA-N -1 1 367.862 2.473 20 0 FEADMM CCCC[C@@H](COC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736439825 599377550 /nfs/dbraw/zinc/37/75/50/599377550.db2.gz ZMUKSRHFCWONEP-ZDUSSCGKSA-N -1 1 372.429 2.494 20 0 FEADMM CCCC[C@@H](COC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736439825 599377552 /nfs/dbraw/zinc/37/75/52/599377552.db2.gz ZMUKSRHFCWONEP-ZDUSSCGKSA-N -1 1 372.429 2.494 20 0 FEADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000738413324 599399030 /nfs/dbraw/zinc/39/90/30/599399030.db2.gz TYTIPMCGVVZQGN-AWEZNQCLSA-N -1 1 350.382 2.374 20 0 FEADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000738413324 599399033 /nfs/dbraw/zinc/39/90/33/599399033.db2.gz TYTIPMCGVVZQGN-AWEZNQCLSA-N -1 1 350.382 2.374 20 0 FEADMM COc1ccccc1N1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000737153978 599423100 /nfs/dbraw/zinc/42/31/00/599423100.db2.gz XHZKQUGCMZIHNR-CYBMUJFWSA-N -1 1 351.414 2.209 20 0 FEADMM COc1ccccc1N1CC[C@H](CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000737153978 599423103 /nfs/dbraw/zinc/42/31/03/599423103.db2.gz XHZKQUGCMZIHNR-CYBMUJFWSA-N -1 1 351.414 2.209 20 0 FEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)c1 ZINC000808542798 674462125 /nfs/dbraw/zinc/46/21/25/674462125.db2.gz ISGJURSNIQKWBX-UHFFFAOYSA-N -1 1 362.455 2.488 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)CCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000821971010 599439939 /nfs/dbraw/zinc/43/99/39/599439939.db2.gz VROHIVZHYFIGDH-VHSXEESVSA-N -1 1 362.459 2.340 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000737301958 599456806 /nfs/dbraw/zinc/45/68/06/599456806.db2.gz YLLPYQOKZUGGRL-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM COc1cccc(-c2noc([C@H](C)NCc3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC000821854395 599464080 /nfs/dbraw/zinc/46/40/80/599464080.db2.gz IVEJVPJTMLTEDE-JTQLQIEISA-N -1 1 367.369 2.369 20 0 FEADMM COc1cccc(-c2noc([C@H](C)NCc3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC000821854395 599464083 /nfs/dbraw/zinc/46/40/83/599464083.db2.gz IVEJVPJTMLTEDE-JTQLQIEISA-N -1 1 367.369 2.369 20 0 FEADMM O=C1CCCCN1CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823530277 599542976 /nfs/dbraw/zinc/54/29/76/599542976.db2.gz HOAALFUELWQPLU-UHFFFAOYSA-N -1 1 351.414 2.229 20 0 FEADMM O=C1CCCCN1CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823530277 599542977 /nfs/dbraw/zinc/54/29/77/599542977.db2.gz HOAALFUELWQPLU-UHFFFAOYSA-N -1 1 351.414 2.229 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819835299 599659281 /nfs/dbraw/zinc/65/92/81/599659281.db2.gz VLVSMLYXYXHWMF-UHFFFAOYSA-N -1 1 366.377 2.103 20 0 FEADMM CCCC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000583569751 599705365 /nfs/dbraw/zinc/70/53/65/599705365.db2.gz MBFVQRCHJLBZKN-MRXNPFEDSA-N -1 1 368.499 2.253 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000738348100 599780835 /nfs/dbraw/zinc/78/08/35/599780835.db2.gz XBLPLVUPHUZCGZ-ZIAGYGMSSA-N -1 1 354.472 2.234 20 0 FEADMM NC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000739182396 599789784 /nfs/dbraw/zinc/78/97/84/599789784.db2.gz LZJZIWZJQACNPS-AWEZNQCLSA-N -1 1 363.211 2.464 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000738274847 599933142 /nfs/dbraw/zinc/93/31/42/599933142.db2.gz JCZJPQNKWFWCMD-QWHCGFSZSA-N -1 1 354.472 2.234 20 0 FEADMM Cc1oc(C(=O)[O-])cc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000738964378 599966266 /nfs/dbraw/zinc/96/62/66/599966266.db2.gz SZJMPCIHZFNBSS-UHFFFAOYSA-N -1 1 360.414 2.255 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc(OC)c1 ZINC000737898380 600092573 /nfs/dbraw/zinc/09/25/73/600092573.db2.gz ABKKQZPOFVYOEC-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000738521598 600217305 /nfs/dbraw/zinc/21/73/05/600217305.db2.gz YNIZJWXXQHEHRF-HIFRSBDPSA-N -1 1 356.426 2.243 20 0 FEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(O)c1 ZINC000737155706 600245353 /nfs/dbraw/zinc/24/53/53/600245353.db2.gz SOGMHKOAGLNYDI-UHFFFAOYSA-N -1 1 365.363 2.068 20 0 FEADMM O=C([O-])c1ccc2c(cnn2CN2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000740204145 600282155 /nfs/dbraw/zinc/28/21/55/600282155.db2.gz TZEADPXSFDMUHG-HNNXBMFYSA-N -1 1 356.426 2.026 20 0 FEADMM CS(=O)(=O)c1ccc(OCCCN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000575065635 600299197 /nfs/dbraw/zinc/29/91/97/600299197.db2.gz UCOAHIDVJPDGHH-INIZCTEOSA-N -1 1 367.467 2.046 20 0 FEADMM CCOCc1ccccc1CNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737177138 600303284 /nfs/dbraw/zinc/30/32/84/600303284.db2.gz BJCSLFKONSAKNP-KRWDZBQOSA-N -1 1 360.454 2.026 20 0 FEADMM C[C@@H](C[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(=O)[O-] ZINC000736572808 600361223 /nfs/dbraw/zinc/36/12/23/600361223.db2.gz SBGHDDBTKHMLAD-QMMMGPOBSA-N -1 1 358.320 2.173 20 0 FEADMM C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(=O)[O-] ZINC000736572808 600361225 /nfs/dbraw/zinc/36/12/25/600361225.db2.gz SBGHDDBTKHMLAD-QMMMGPOBSA-N -1 1 358.320 2.173 20 0 FEADMM C[C@@H](CN(C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000736572808 600361227 /nfs/dbraw/zinc/36/12/27/600361227.db2.gz SBGHDDBTKHMLAD-QMMMGPOBSA-N -1 1 358.320 2.173 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000565045630 600363649 /nfs/dbraw/zinc/36/36/49/600363649.db2.gz DVJQUMZANRRUKO-SECBINFHSA-N -1 1 356.444 2.133 20 0 FEADMM O=C([O-])COc1ccc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739823602 600462835 /nfs/dbraw/zinc/46/28/35/600462835.db2.gz LCHUSIXPPPEVSJ-UHFFFAOYSA-N -1 1 367.365 2.257 20 0 FEADMM O=C([O-])COc1ccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739823602 600462836 /nfs/dbraw/zinc/46/28/36/600462836.db2.gz LCHUSIXPPPEVSJ-UHFFFAOYSA-N -1 1 367.365 2.257 20 0 FEADMM CN(C(=O)CN1CC[C@H](CNc2ccccn2)C1)c1ccccc1C(=O)[O-] ZINC000737324371 600471689 /nfs/dbraw/zinc/47/16/89/600471689.db2.gz PXZOGCONCSZMMC-OAHLLOKOSA-N -1 1 368.437 2.177 20 0 FEADMM C[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000736598007 600527724 /nfs/dbraw/zinc/52/77/24/600527724.db2.gz DKVQVQFEWHCSJS-ZDUSSCGKSA-N -1 1 357.410 2.224 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000828266158 600710869 /nfs/dbraw/zinc/71/08/69/600710869.db2.gz QYPXAEMHGYHGEL-NEPJUHHUSA-N -1 1 374.890 2.437 20 0 FEADMM O=C([O-])[C@@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1ccccc1 ZINC000833136240 600781151 /nfs/dbraw/zinc/78/11/51/600781151.db2.gz YSHKFARNQHQJLI-ZDUSSCGKSA-N -1 1 369.402 2.222 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(F)(F)F ZINC000825042913 607469418 /nfs/dbraw/zinc/46/94/18/607469418.db2.gz BYJIVRQZRFQPMR-ZDUSSCGKSA-N -1 1 360.340 2.336 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](CO)CC(C)(C)C ZINC000826340484 607469966 /nfs/dbraw/zinc/46/99/66/607469966.db2.gz ACPNGOGNLUFAPJ-GFCCVEGCSA-N -1 1 372.429 2.086 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](CO)CC(C)(C)C ZINC000826340484 607469967 /nfs/dbraw/zinc/46/99/67/607469967.db2.gz ACPNGOGNLUFAPJ-GFCCVEGCSA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@H]1CN(CCn2cccn2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000829152734 600814020 /nfs/dbraw/zinc/81/40/20/600814020.db2.gz ZNMNFAJBSHIFHK-NSHDSACASA-N -1 1 369.878 2.292 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000830955070 600889093 /nfs/dbraw/zinc/88/90/93/600889093.db2.gz ZTPDVPIICCXONU-SJORKVTESA-N -1 1 359.470 2.264 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C12CCCC2 ZINC000829918556 601016508 /nfs/dbraw/zinc/01/65/08/601016508.db2.gz RYVRDMDIADQONT-MPTYRVRUSA-N -1 1 354.491 2.272 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000830691714 601017678 /nfs/dbraw/zinc/01/76/78/601017678.db2.gz BQPJMUXOZABEJJ-MRXNPFEDSA-N -1 1 374.416 2.286 20 0 FEADMM Cc1nc(-c2c[nH]c(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c2)cs1 ZINC000630221464 601086195 /nfs/dbraw/zinc/08/61/95/601086195.db2.gz BCHXTAINNUQOCQ-NSHDSACASA-N -1 1 362.455 2.068 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)CC1 ZINC000630223208 601089108 /nfs/dbraw/zinc/08/91/08/601089108.db2.gz IWBVDYPBGFCDAQ-MRXNPFEDSA-N -1 1 374.485 2.083 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000827375075 601093893 /nfs/dbraw/zinc/09/38/93/601093893.db2.gz PGZGEVWJOXJBCF-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC000563279812 601101397 /nfs/dbraw/zinc/10/13/97/601101397.db2.gz ZNLCWMQAZXJFBV-CYBMUJFWSA-N -1 1 350.806 2.346 20 0 FEADMM CCOc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1OC ZINC000830084308 601126764 /nfs/dbraw/zinc/12/67/64/601126764.db2.gz AFTRBCZHKYPYEN-CYBMUJFWSA-N -1 1 365.430 2.107 20 0 FEADMM Cc1ccc(-c2nnco2)cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832907660 601133177 /nfs/dbraw/zinc/13/31/77/601133177.db2.gz FHOXWNHXPPQARS-ZDUSSCGKSA-N -1 1 373.413 2.058 20 0 FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000830604095 601140826 /nfs/dbraw/zinc/14/08/26/601140826.db2.gz GWLZCEWBMAGULE-UHFFFAOYSA-N -1 1 354.472 2.270 20 0 FEADMM CCOc1cc(C(=O)Nc2cc(CN(C)C)ccn2)ccc1OCC(=O)[O-] ZINC000830038820 601141223 /nfs/dbraw/zinc/14/12/23/601141223.db2.gz UNMAXJXWZXKFRV-UHFFFAOYSA-N -1 1 373.409 2.258 20 0 FEADMM Cc1nc([C@H]2CN(C(=O)Nc3sc(C)c(C)c3C(=O)[O-])CCO2)n[nH]1 ZINC000832992055 601198104 /nfs/dbraw/zinc/19/81/04/601198104.db2.gz WFZDQZYIHGEKQY-SNVBAGLBSA-N -1 1 365.415 2.095 20 0 FEADMM COC(=O)[C@@H](C)[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000831059356 601206355 /nfs/dbraw/zinc/20/63/55/601206355.db2.gz GJSNWHZWVRPFSY-SCLBCKFNSA-N -1 1 370.405 2.463 20 0 FEADMM CN(C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1 ZINC000316616086 601235313 /nfs/dbraw/zinc/23/53/13/601235313.db2.gz AWCUVNSCENISFY-QMMMGPOBSA-N -1 1 367.254 2.016 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737787194 601244381 /nfs/dbraw/zinc/24/43/81/601244381.db2.gz LWOKDNRZBKIYPP-LBPRGKRZSA-N -1 1 358.435 2.067 20 0 FEADMM COc1ccc([C@H](CNC(=O)c2ccnc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000832240647 601248088 /nfs/dbraw/zinc/24/80/88/601248088.db2.gz FLGZNYUEQRVDJU-SFHVURJKSA-N -1 1 369.421 2.355 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000832891096 601271068 /nfs/dbraw/zinc/27/10/68/601271068.db2.gz LCAALBDPKRFXPV-UHFFFAOYSA-N -1 1 354.410 2.092 20 0 FEADMM CCCCNC(=O)[C@@H]1CCCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000829396345 601399001 /nfs/dbraw/zinc/39/90/01/601399001.db2.gz NLKOMHIWVKBLSD-CQSZACIVSA-N -1 1 358.442 2.320 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649537087 601403536 /nfs/dbraw/zinc/40/35/36/601403536.db2.gz SLZQGUHXFZTLLI-UHFFFAOYSA-N -1 1 360.458 2.266 20 0 FEADMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000833195505 601479360 /nfs/dbraw/zinc/47/93/60/601479360.db2.gz GLACJNVBGNZECX-NSHDSACASA-N -1 1 367.477 2.130 20 0 FEADMM O=C([O-])[C@@]1(F)CCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000833100650 601553166 /nfs/dbraw/zinc/55/31/66/601553166.db2.gz YENMGXXVQCOMPL-CQSZACIVSA-N -1 1 359.195 2.276 20 0 FEADMM CN(C)Cc1ccsc1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000830623917 601558437 /nfs/dbraw/zinc/55/84/37/601558437.db2.gz NXLQQPOXINNXBL-AWEZNQCLSA-N -1 1 362.451 2.189 20 0 FEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217063 601844388 /nfs/dbraw/zinc/84/43/88/601844388.db2.gz DBPSWMPNWFMBLN-NVXWUHKLSA-N -1 1 354.491 2.275 20 0 FEADMM CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccc(F)cc1 ZINC000739608279 601877149 /nfs/dbraw/zinc/87/71/49/601877149.db2.gz ONBRUBMUMGFHQK-ROUUACIJSA-N -1 1 373.428 2.424 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000563217866 601913877 /nfs/dbraw/zinc/91/38/77/601913877.db2.gz UALKJBKMICXMNZ-PIGZYNQJSA-N -1 1 368.455 2.357 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000827622149 601924131 /nfs/dbraw/zinc/92/41/31/601924131.db2.gz HKFCTULOQYRCDS-HUBLWGQQSA-N -1 1 354.447 2.284 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000739053666 601939168 /nfs/dbraw/zinc/93/91/68/601939168.db2.gz NALSTCUJZIGCHZ-QWHCGFSZSA-N -1 1 353.850 2.449 20 0 FEADMM COc1ccc([C@H](NC(=O)CN2CC[C@@H](CNC(=O)[O-])C2)C(C)C)cc1 ZINC000739892544 601946686 /nfs/dbraw/zinc/94/66/86/601946686.db2.gz HJJZHXXSPCGMIY-KBXCAEBGSA-N -1 1 363.458 2.098 20 0 FEADMM CCOc1ccc2nc(NC(=O)CN3CC[C@@](C)(C(=O)[O-])C3)sc2c1 ZINC000830094450 601947697 /nfs/dbraw/zinc/94/76/97/601947697.db2.gz CZBUHAOSAKWZGM-QGZVFWFLSA-N -1 1 363.439 2.430 20 0 FEADMM Cn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1F ZINC000826356193 607537939 /nfs/dbraw/zinc/53/79/39/607537939.db2.gz FYDUPSGKIMGTFT-UHFFFAOYSA-N -1 1 368.401 2.489 20 0 FEADMM Cn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccc1F ZINC000826356193 607537941 /nfs/dbraw/zinc/53/79/41/607537941.db2.gz FYDUPSGKIMGTFT-UHFFFAOYSA-N -1 1 368.401 2.489 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000739608624 602053053 /nfs/dbraw/zinc/05/30/53/602053053.db2.gz PXJCLWSDKRLCME-CYBMUJFWSA-N -1 1 354.476 2.040 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C12CCC2 ZINC000829917848 602058087 /nfs/dbraw/zinc/05/80/87/602058087.db2.gz JPPOURGRIJMUEP-CABCVRRESA-N -1 1 352.475 2.170 20 0 FEADMM C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738981398 602085674 /nfs/dbraw/zinc/08/56/74/602085674.db2.gz QTLZXZQBUIMDMZ-YDHLFZDLSA-N -1 1 368.503 2.429 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccsc1 ZINC000739607724 602086885 /nfs/dbraw/zinc/08/68/85/602086885.db2.gz KHLKCYTXKJCNNF-JSGCOSHPSA-N -1 1 354.476 2.040 20 0 FEADMM Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833015214 602344847 /nfs/dbraw/zinc/34/48/47/602344847.db2.gz HNPBENCARIQWIE-YJBOKZPZSA-N -1 1 359.426 2.004 20 0 FEADMM CC1CCN(CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000828284304 602363018 /nfs/dbraw/zinc/36/30/18/602363018.db2.gz CXQWQXWVWLIKGE-UHFFFAOYSA-N -1 1 354.397 2.500 20 0 FEADMM O=C([O-])c1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1F ZINC000833101354 602395959 /nfs/dbraw/zinc/39/59/59/602395959.db2.gz XJXCDVXXNIROEZ-UHFFFAOYSA-N -1 1 370.340 2.159 20 0 FEADMM CCN(CCNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000739431948 602439108 /nfs/dbraw/zinc/43/91/08/602439108.db2.gz NUOSIOKFRTZURO-UHFFFAOYSA-N -1 1 366.437 2.089 20 0 FEADMM O=C([O-])N[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000738655804 602493363 /nfs/dbraw/zinc/49/33/63/602493363.db2.gz PBGULPIULBXMPO-SECBINFHSA-N -1 1 367.203 2.198 20 0 FEADMM CCCN(C(=O)c1n[nH]c(C)c1Br)[C@H]1CCN(C(=O)[O-])C1 ZINC000739341111 602517078 /nfs/dbraw/zinc/51/70/78/602517078.db2.gz CINUFAZWRDGSOY-VIFPVBQESA-N -1 1 359.224 2.085 20 0 FEADMM Cc1ccc([C@@H](NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000740116228 602532322 /nfs/dbraw/zinc/53/23/22/602532322.db2.gz AWEKTDFZGRWCSX-HNAYVOBHSA-N -1 1 359.470 2.494 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739956980 602532461 /nfs/dbraw/zinc/53/24/61/602532461.db2.gz HYUANYXDWKCELO-RRFJBIMHSA-N -1 1 363.458 2.193 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739060234 602533007 /nfs/dbraw/zinc/53/30/07/602533007.db2.gz WMXPORPDOJHRKS-ZIAGYGMSSA-N -1 1 351.422 2.277 20 0 FEADMM CCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352150 602542937 /nfs/dbraw/zinc/54/29/37/602542937.db2.gz UMSGWBWLCRLKME-STQMWFEESA-N -1 1 365.396 2.252 20 0 FEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739956406 602543569 /nfs/dbraw/zinc/54/35/69/602543569.db2.gz DOPBBUDNYVROMQ-HUUCEWRRSA-N -1 1 363.458 2.146 20 0 FEADMM CCCN(CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354070 602545763 /nfs/dbraw/zinc/54/57/63/602545763.db2.gz OLFUFKAFNCFFFW-OAHLLOKOSA-N -1 1 353.850 2.421 20 0 FEADMM CCCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739355290 602546766 /nfs/dbraw/zinc/54/67/66/602546766.db2.gz XPUGSMYTNYHMSN-BBRMVZONSA-N -1 1 351.422 2.467 20 0 FEADMM O=S(=O)(NCc1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491947 607574280 /nfs/dbraw/zinc/57/42/80/607574280.db2.gz LEVKZAVKLKCACC-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM O=S(=O)(NCc1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491947 607574281 /nfs/dbraw/zinc/57/42/81/607574281.db2.gz LEVKZAVKLKCACC-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])N2CCCC2)o1 ZINC000740116254 602600234 /nfs/dbraw/zinc/60/02/34/602600234.db2.gz BJMXTBWYIYFXDQ-CABCVRRESA-N -1 1 364.446 2.167 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])N2CCCC2)o1 ZINC000740116256 602600278 /nfs/dbraw/zinc/60/02/78/602600278.db2.gz BJMXTBWYIYFXDQ-HUUCEWRRSA-N -1 1 364.446 2.167 20 0 FEADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN4CCCC[C@H]4C3)cc2C1 ZINC000740530385 602608778 /nfs/dbraw/zinc/60/87/78/602608778.db2.gz QPZPDZJELWLMFW-KRWDZBQOSA-N -1 1 358.442 2.425 20 0 FEADMM CCCN(C(=O)NCCN1CCc2ccccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354416 602615403 /nfs/dbraw/zinc/61/54/03/602615403.db2.gz XIOIIGDBHXIXLV-SFHVURJKSA-N -1 1 374.485 2.219 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1ccsc1 ZINC000739610018 602707569 /nfs/dbraw/zinc/70/75/69/602707569.db2.gz ZSUGHOWRUHUITR-NSHDSACASA-N -1 1 354.457 2.005 20 0 FEADMM O=C([O-])NCc1nc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cs1 ZINC000740682240 602714798 /nfs/dbraw/zinc/71/47/98/602714798.db2.gz GJTSVPLRSROFEK-UHFFFAOYSA-N -1 1 365.802 2.370 20 0 FEADMM CN(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)C(=O)[O-] ZINC000739737247 602733661 /nfs/dbraw/zinc/73/36/61/602733661.db2.gz WGJPLQVLNKHPKT-UHFFFAOYSA-N -1 1 374.363 2.006 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739176563 602762136 /nfs/dbraw/zinc/76/21/36/602762136.db2.gz NATSBVAXYVHCGN-HSMVNMDESA-N -1 1 369.412 2.462 20 0 FEADMM C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824377744 607584641 /nfs/dbraw/zinc/58/46/41/607584641.db2.gz MAYCKZHZKCPULG-SECBINFHSA-N -1 1 367.862 2.472 20 0 FEADMM C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824377744 607584642 /nfs/dbraw/zinc/58/46/42/607584642.db2.gz MAYCKZHZKCPULG-SECBINFHSA-N -1 1 367.862 2.472 20 0 FEADMM CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825194702 607586897 /nfs/dbraw/zinc/58/68/97/607586897.db2.gz RYULJPXRINELHH-ZYHUDNBSSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825194702 607586899 /nfs/dbraw/zinc/58/68/99/607586899.db2.gz RYULJPXRINELHH-ZYHUDNBSSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825194698 607586904 /nfs/dbraw/zinc/58/69/04/607586904.db2.gz RYULJPXRINELHH-CMPLNLGQSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825194698 607586906 /nfs/dbraw/zinc/58/69/06/607586906.db2.gz RYULJPXRINELHH-CMPLNLGQSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825195906 607586981 /nfs/dbraw/zinc/58/69/81/607586981.db2.gz ZNBDADFZVMKGGT-ZWNOBZJWSA-N -1 1 353.423 2.253 20 0 FEADMM O=C([O-])NCc1nc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000740685682 602978389 /nfs/dbraw/zinc/97/83/89/602978389.db2.gz NOCFXHWVTHOSLN-ZDUSSCGKSA-N -1 1 361.423 2.342 20 0 FEADMM O=S(=O)(Oc1ccc2ncccc2c1)c1ccccc1-c1nn[n-]n1 ZINC000826493680 607601866 /nfs/dbraw/zinc/60/18/66/607601866.db2.gz XEJZVFMNBIWWFP-UHFFFAOYSA-N -1 1 353.363 2.183 20 0 FEADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)[O-])N1CCN(C)CC1 ZINC000738940615 603054874 /nfs/dbraw/zinc/05/48/74/603054874.db2.gz SYNALPITSUHKCW-AWEZNQCLSA-N -1 1 370.453 2.295 20 0 FEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000823865562 603078363 /nfs/dbraw/zinc/07/83/63/603078363.db2.gz XKIGJVLKQRSIJW-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)[nH]1 ZINC000823865562 603078366 /nfs/dbraw/zinc/07/83/66/603078366.db2.gz XKIGJVLKQRSIJW-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM O=C([O-])NCC1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000740644141 603083337 /nfs/dbraw/zinc/08/33/37/603083337.db2.gz XLZKIZQOQXYGJC-OAHLLOKOSA-N -1 1 351.834 2.425 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccsc1 ZINC000739605806 603092452 /nfs/dbraw/zinc/09/24/52/603092452.db2.gz CTPIDTFEVDHSSC-JXQTWKCFSA-N -1 1 354.476 2.229 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(SCCCO)cc1 ZINC000826467144 607607796 /nfs/dbraw/zinc/60/77/96/607607796.db2.gz IXRQOMUXKSTZAJ-UHFFFAOYSA-N -1 1 371.422 2.093 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(SCCCO)cc1 ZINC000826467144 607607799 /nfs/dbraw/zinc/60/77/99/607607799.db2.gz IXRQOMUXKSTZAJ-UHFFFAOYSA-N -1 1 371.422 2.093 20 0 FEADMM COc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1-c1nn[nH]n1 ZINC000826200736 607608248 /nfs/dbraw/zinc/60/82/48/607608248.db2.gz GPWRGOBVVQOKMN-UHFFFAOYSA-N -1 1 359.773 2.164 20 0 FEADMM O=C([O-])NC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000740615322 603121999 /nfs/dbraw/zinc/12/19/99/603121999.db2.gz ZBZSTITXKUUVTM-LSDHHAIUSA-N -1 1 364.446 2.152 20 0 FEADMM Cc1cccc2c1CC[C@@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305015 607609493 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C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000833827005 606014220 /nfs/dbraw/zinc/01/42/20/606014220.db2.gz VIUZSJDDVUALAY-PXNSSMCTSA-N -1 1 374.485 2.379 20 0 FEADMM Cc1ccccc1S(=O)(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2 ZINC000833908476 606078144 /nfs/dbraw/zinc/07/81/44/606078144.db2.gz CBHHXVZHHXQFLH-ZDUSSCGKSA-N -1 1 361.423 2.316 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821831608 606134453 /nfs/dbraw/zinc/13/44/53/606134453.db2.gz FXLVSJCQENBORO-VIFPVBQESA-N -1 1 373.394 2.121 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821831608 606134454 /nfs/dbraw/zinc/13/44/54/606134454.db2.gz FXLVSJCQENBORO-VIFPVBQESA-N -1 1 373.394 2.121 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1cc(F)ccc1F ZINC000823396851 606138467 /nfs/dbraw/zinc/13/84/67/606138467.db2.gz OGSMECHCLQLZSH-UHFFFAOYSA-N -1 1 350.306 2.246 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1cc(F)ccc1F ZINC000823396851 606138469 /nfs/dbraw/zinc/13/84/69/606138469.db2.gz OGSMECHCLQLZSH-UHFFFAOYSA-N -1 1 350.306 2.246 20 0 FEADMM CCCN(Cc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821109306 606156620 /nfs/dbraw/zinc/15/66/20/606156620.db2.gz GTYWBDFUSKRQSQ-UHFFFAOYSA-N -1 1 358.381 2.183 20 0 FEADMM CCCN(Cc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821109306 606156621 /nfs/dbraw/zinc/15/66/21/606156621.db2.gz GTYWBDFUSKRQSQ-UHFFFAOYSA-N -1 1 358.381 2.183 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3ccccc3)CC2)n1 ZINC000822609249 606157335 /nfs/dbraw/zinc/15/73/35/606157335.db2.gz LDTBVIBDSPGLSJ-UHFFFAOYSA-N -1 1 352.402 2.012 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3ccccc3)CC2)n1 ZINC000822609249 606157336 /nfs/dbraw/zinc/15/73/36/606157336.db2.gz LDTBVIBDSPGLSJ-UHFFFAOYSA-N -1 1 352.402 2.012 20 0 FEADMM O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397583 606179370 /nfs/dbraw/zinc/17/93/70/606179370.db2.gz XWCKEQUZSZRZLB-LLVKDONJSA-N -1 1 369.406 2.138 20 0 FEADMM O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397583 606179371 /nfs/dbraw/zinc/17/93/71/606179371.db2.gz XWCKEQUZSZRZLB-LLVKDONJSA-N -1 1 369.406 2.138 20 0 FEADMM CCOc1ccccc1OCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000821436530 606237038 /nfs/dbraw/zinc/23/70/38/606237038.db2.gz BBRUXUIRQQHOME-UHFFFAOYSA-N -1 1 374.426 2.072 20 0 FEADMM CCOc1ccccc1OCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821436530 606237039 /nfs/dbraw/zinc/23/70/39/606237039.db2.gz BBRUXUIRQQHOME-UHFFFAOYSA-N -1 1 374.426 2.072 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000822531394 606239018 /nfs/dbraw/zinc/23/90/18/606239018.db2.gz ZQRYMOYPWGNYHC-UHFFFAOYSA-N -1 1 364.818 2.327 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000822531394 606239020 /nfs/dbraw/zinc/23/90/20/606239020.db2.gz ZQRYMOYPWGNYHC-UHFFFAOYSA-N -1 1 364.818 2.327 20 0 FEADMM C[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820715488 606431755 /nfs/dbraw/zinc/43/17/55/606431755.db2.gz BOEWHABHVSTGST-QMMMGPOBSA-N -1 1 361.349 2.059 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C2CCCCC2)no1 ZINC000820392216 606440147 /nfs/dbraw/zinc/44/01/47/606440147.db2.gz SPTFRQVRNIMMDW-JTQLQIEISA-N -1 1 368.401 2.183 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(C2CCCCC2)no1 ZINC000820392216 606440149 /nfs/dbraw/zinc/44/01/49/606440149.db2.gz SPTFRQVRNIMMDW-JTQLQIEISA-N -1 1 368.401 2.183 20 0 FEADMM Clc1ccc(NCc2ccnc(-n3ccnc3)c2)nc1-c1nnn[n-]1 ZINC000822578112 606463238 /nfs/dbraw/zinc/46/32/38/606463238.db2.gz DELSKJSOYMGNCQ-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2ccnc(-n3ccnc3)c2)nc1-c1nn[n-]n1 ZINC000822578112 606463240 /nfs/dbraw/zinc/46/32/40/606463240.db2.gz DELSKJSOYMGNCQ-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM O=C(OCc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440264 606509245 /nfs/dbraw/zinc/50/92/45/606509245.db2.gz KFAVRFUVLLIAPO-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440264 606509246 /nfs/dbraw/zinc/50/92/46/606509246.db2.gz KFAVRFUVLLIAPO-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000823483922 606523971 /nfs/dbraw/zinc/52/39/71/606523971.db2.gz PAOZDPCFWDCRDQ-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000823483922 606523973 /nfs/dbraw/zinc/52/39/73/606523973.db2.gz PAOZDPCFWDCRDQ-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM CCOC(=O)CCCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821325626 606527698 /nfs/dbraw/zinc/52/76/98/606527698.db2.gz IEOWYDUVUSCSAD-UHFFFAOYSA-N -1 1 351.432 2.172 20 0 FEADMM CCOC(=O)CCCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821325626 606527700 /nfs/dbraw/zinc/52/77/00/606527700.db2.gz IEOWYDUVUSCSAD-UHFFFAOYSA-N -1 1 351.432 2.172 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1Cc1ccccc1 ZINC000823483989 606545169 /nfs/dbraw/zinc/54/51/69/606545169.db2.gz RGKRRVUIUMDCQT-CYBMUJFWSA-N -1 1 355.423 2.012 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1Cc1ccccc1 ZINC000823483989 606545171 /nfs/dbraw/zinc/54/51/71/606545171.db2.gz RGKRRVUIUMDCQT-CYBMUJFWSA-N -1 1 355.423 2.012 20 0 FEADMM O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363581 606576742 /nfs/dbraw/zinc/57/67/42/606576742.db2.gz HEIQXOWTRRDUEV-UHFFFAOYSA-N -1 1 369.410 2.100 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821679054 606604847 /nfs/dbraw/zinc/60/48/47/606604847.db2.gz WKPQRKBYCFBBPD-NWDGAFQWSA-N -1 1 370.413 2.102 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821679054 606604849 /nfs/dbraw/zinc/60/48/49/606604849.db2.gz WKPQRKBYCFBBPD-NWDGAFQWSA-N -1 1 370.413 2.102 20 0 FEADMM CC(C)C(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820010772 606624122 /nfs/dbraw/zinc/62/41/22/606624122.db2.gz DSMOKFAGNNIVPA-UHFFFAOYSA-N -1 1 352.354 2.075 20 0 FEADMM CC(C)C(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820010772 606624124 /nfs/dbraw/zinc/62/41/24/606624124.db2.gz DSMOKFAGNNIVPA-UHFFFAOYSA-N -1 1 352.354 2.075 20 0 FEADMM COc1cc(OC)cc(OCCCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000821724657 606634050 /nfs/dbraw/zinc/63/40/50/606634050.db2.gz VYPPACOGPJPGTN-UHFFFAOYSA-N -1 1 356.386 2.160 20 0 FEADMM COc1cc(OC)cc(OCCCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000821724657 606634051 /nfs/dbraw/zinc/63/40/51/606634051.db2.gz VYPPACOGPJPGTN-UHFFFAOYSA-N -1 1 356.386 2.160 20 0 FEADMM O=C(Cc1c[nH]c2ccc(F)cc12)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823074172 606648350 /nfs/dbraw/zinc/64/83/50/606648350.db2.gz KYZWQXQYWHINBK-UHFFFAOYSA-N -1 1 352.329 2.168 20 0 FEADMM O=C(Cc1c[nH]c2ccc(F)cc12)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823074172 606648351 /nfs/dbraw/zinc/64/83/51/606648351.db2.gz KYZWQXQYWHINBK-UHFFFAOYSA-N -1 1 352.329 2.168 20 0 FEADMM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820005576 606650815 /nfs/dbraw/zinc/65/08/15/606650815.db2.gz SVDOPVGLIMWVAN-UHFFFAOYSA-N -1 1 357.345 2.302 20 0 FEADMM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820005576 606650816 /nfs/dbraw/zinc/65/08/16/606650816.db2.gz SVDOPVGLIMWVAN-UHFFFAOYSA-N -1 1 357.345 2.302 20 0 FEADMM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820294401 606683806 /nfs/dbraw/zinc/68/38/06/606683806.db2.gz SFSVZXQFZKCMAY-SECBINFHSA-N -1 1 361.406 2.106 20 0 FEADMM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820294401 606683807 /nfs/dbraw/zinc/68/38/07/606683807.db2.gz SFSVZXQFZKCMAY-SECBINFHSA-N -1 1 361.406 2.106 20 0 FEADMM COCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821693013 606689715 /nfs/dbraw/zinc/68/97/15/606689715.db2.gz NTJRWFNGQBFVFG-UHFFFAOYSA-N -1 1 373.438 2.192 20 0 FEADMM COCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821693013 606689716 /nfs/dbraw/zinc/68/97/16/606689716.db2.gz NTJRWFNGQBFVFG-UHFFFAOYSA-N -1 1 373.438 2.192 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820979435 606843312 /nfs/dbraw/zinc/84/33/12/606843312.db2.gz IDZZIULRNHUOJP-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM CC(C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820045257 606844645 /nfs/dbraw/zinc/84/46/45/606844645.db2.gz LYZQOYFSMUSQGP-UHFFFAOYSA-N -1 1 353.423 2.063 20 0 FEADMM CC[C@]1(C)CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820949909 606845351 /nfs/dbraw/zinc/84/53/51/606845351.db2.gz HLZSWEIOMZHZEN-OAHLLOKOSA-N -1 1 353.423 2.207 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000822902548 606908695 /nfs/dbraw/zinc/90/86/95/606908695.db2.gz CTTWIMGMHPVHQN-UHFFFAOYSA-N -1 1 366.772 2.049 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)C(C)C ZINC000822458921 606926935 /nfs/dbraw/zinc/92/69/35/606926935.db2.gz JDUKHAGRCLWACE-GFCCVEGCSA-N -1 1 357.418 2.047 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)C(C)C ZINC000822458921 606926936 /nfs/dbraw/zinc/92/69/36/606926936.db2.gz JDUKHAGRCLWACE-GFCCVEGCSA-N -1 1 357.418 2.047 20 0 FEADMM O=C(COC/C=C/c1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823032314 606968447 /nfs/dbraw/zinc/96/84/47/606968447.db2.gz PLQQMJQSLQUFNY-QPJJXVBHSA-N -1 1 351.366 2.241 20 0 FEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C1CCCCC1 ZINC000823511635 607035272 /nfs/dbraw/zinc/03/52/72/607035272.db2.gz HUFYUAYKCSMFDN-VIFPVBQESA-N -1 1 367.866 2.322 20 0 FEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C1CCCCC1 ZINC000823511635 607035274 /nfs/dbraw/zinc/03/52/74/607035274.db2.gz HUFYUAYKCSMFDN-VIFPVBQESA-N -1 1 367.866 2.322 20 0 FEADMM CC(C)C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820067089 607048638 /nfs/dbraw/zinc/04/86/38/607048638.db2.gz CENYXCWZTKFATE-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM CC(C)C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820067089 607048640 /nfs/dbraw/zinc/04/86/40/607048640.db2.gz CENYXCWZTKFATE-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM CSC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821962783 607144475 /nfs/dbraw/zinc/14/44/75/607144475.db2.gz WRTQQLFVHZUMLC-SNVBAGLBSA-N -1 1 373.891 2.036 20 0 FEADMM CC(C)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C(C)C)c1 ZINC000820192498 607207023 /nfs/dbraw/zinc/20/70/23/607207023.db2.gz QJEYSPZTGJBPII-UHFFFAOYSA-N -1 1 354.418 2.344 20 0 FEADMM CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000820056554 607218684 /nfs/dbraw/zinc/21/86/84/607218684.db2.gz QMLICXZMRKKONJ-ZDUSSCGKSA-N -1 1 374.836 2.015 20 0 FEADMM CC(C)c1nnc([N-]C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)s1 ZINC000820211523 607232580 /nfs/dbraw/zinc/23/25/80/607232580.db2.gz QONSQTWHXDDBLF-UHFFFAOYSA-N -1 1 350.795 2.142 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735636277 607235290 /nfs/dbraw/zinc/23/52/90/607235290.db2.gz RTYNOVNBFODUEG-ZETCQYMHSA-N -1 1 371.854 2.080 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735636277 607235291 /nfs/dbraw/zinc/23/52/91/607235291.db2.gz RTYNOVNBFODUEG-ZETCQYMHSA-N -1 1 371.854 2.080 20 0 FEADMM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426133 607803575 /nfs/dbraw/zinc/80/35/75/607803575.db2.gz GHEHFSLUBHSMLF-DYVFJYSZSA-N -1 1 364.409 2.159 20 0 FEADMM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426133 607803576 /nfs/dbraw/zinc/80/35/76/607803576.db2.gz GHEHFSLUBHSMLF-DYVFJYSZSA-N -1 1 364.409 2.159 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc2ncccc2c1 ZINC000826493247 607868156 /nfs/dbraw/zinc/86/81/56/607868156.db2.gz AXHLKPZUSHLABW-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc2ncccc2c1 ZINC000826493247 607868157 /nfs/dbraw/zinc/86/81/57/607868157.db2.gz AXHLKPZUSHLABW-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM C[C@](O)(CNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824680238 607967756 /nfs/dbraw/zinc/96/77/56/607967756.db2.gz ZMAKYYWRMLRYJH-ZDUSSCGKSA-N -1 1 354.798 2.435 20 0 FEADMM C[C@](O)(CNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824680238 607967757 /nfs/dbraw/zinc/96/77/57/607967757.db2.gz ZMAKYYWRMLRYJH-ZDUSSCGKSA-N -1 1 354.798 2.435 20 0 FEADMM OC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(C(F)(F)F)cc1 ZINC000826508263 607969263 /nfs/dbraw/zinc/96/92/63/607969263.db2.gz KGXJLAFEENVSNK-LBPRGKRZSA-N -1 1 350.304 2.426 20 0 FEADMM OC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)cc1 ZINC000826508263 607969264 /nfs/dbraw/zinc/96/92/64/607969264.db2.gz KGXJLAFEENVSNK-LBPRGKRZSA-N -1 1 350.304 2.426 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826454599 607996593 /nfs/dbraw/zinc/99/65/93/607996593.db2.gz CEJSLCJLKFMGLP-OAHLLOKOSA-N -1 1 368.372 2.319 20 0 FEADMM COc1ccccc1C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000826218520 607997950 /nfs/dbraw/zinc/99/79/50/607997950.db2.gz FEVKAMFWFGBXRV-UHFFFAOYSA-N -1 1 351.366 2.251 20 0 FEADMM COc1ccc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000826190959 607998037 /nfs/dbraw/zinc/99/80/37/607998037.db2.gz RWCXPCXSZLDGDF-YWEYNIOJSA-N -1 1 367.365 2.241 20 0 FEADMM Clc1nsc(N2CC[C@@H](OCc3ccccn3)C2)c1-c1nnn[n-]1 ZINC000826353795 608016383 /nfs/dbraw/zinc/01/63/83/608016383.db2.gz DMGZKBMZRKMFRV-SNVBAGLBSA-N -1 1 363.834 2.167 20 0 FEADMM Clc1nsc(N2CC[C@@H](OCc3ccccn3)C2)c1-c1nn[n-]n1 ZINC000826353795 608016384 /nfs/dbraw/zinc/01/63/84/608016384.db2.gz DMGZKBMZRKMFRV-SNVBAGLBSA-N -1 1 363.834 2.167 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N2CC3(C2)CC(F)(F)C3)c(-c2nn[n-]n2)c1C ZINC000826341772 608045038 /nfs/dbraw/zinc/04/50/38/608045038.db2.gz PPQDNEHOBIKKLR-VIFPVBQESA-N -1 1 366.372 2.135 20 0 FEADMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824968997 608106423 /nfs/dbraw/zinc/10/64/23/608106423.db2.gz RYYAHIHXEUIQNM-IINYFYTJSA-N -1 1 352.402 2.045 20 0 FEADMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824968997 608106424 /nfs/dbraw/zinc/10/64/24/608106424.db2.gz RYYAHIHXEUIQNM-IINYFYTJSA-N -1 1 352.402 2.045 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H]1CCCO1 ZINC000738113110 608114218 /nfs/dbraw/zinc/11/42/18/608114218.db2.gz VAURCXYJOSIVFA-ZDUSSCGKSA-N -1 1 355.423 2.390 20 0 FEADMM Cc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1-n1nnnc1C(C)C ZINC000826271296 608134752 /nfs/dbraw/zinc/13/47/52/608134752.db2.gz LVGUDWVTDWYJTK-UHFFFAOYSA-N -1 1 365.401 2.479 20 0 FEADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1-n1nnnc1C(C)C ZINC000826271296 608134753 /nfs/dbraw/zinc/13/47/53/608134753.db2.gz LVGUDWVTDWYJTK-UHFFFAOYSA-N -1 1 365.401 2.479 20 0 FEADMM O=S(=O)(N[C@@H]1CC12CCCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488307 608156790 /nfs/dbraw/zinc/15/67/90/608156790.db2.gz MXYQTBKVXUMMLC-CYBMUJFWSA-N -1 1 351.407 2.007 20 0 FEADMM Cc1nc([C@H]2CCCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000826325301 608177587 /nfs/dbraw/zinc/17/75/87/608177587.db2.gz TXZLGNLYCPQSMC-SSDOTTSWSA-N -1 1 352.811 2.400 20 0 FEADMM Cc1nc([C@H]2CCCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000826325301 608177588 /nfs/dbraw/zinc/17/75/88/608177588.db2.gz TXZLGNLYCPQSMC-SSDOTTSWSA-N -1 1 352.811 2.400 20 0 FEADMM Cc1nc(C[C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)no1 ZINC000826325392 608180939 /nfs/dbraw/zinc/18/09/39/608180939.db2.gz WFDZGFJPURYFQI-MRVPVSSYSA-N -1 1 366.838 2.127 20 0 FEADMM Cc1nc(C[C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)no1 ZINC000826325392 608180940 /nfs/dbraw/zinc/18/09/40/608180940.db2.gz WFDZGFJPURYFQI-MRVPVSSYSA-N -1 1 366.838 2.127 20 0 FEADMM CCOC(=O)N(C)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825517764 608181918 /nfs/dbraw/zinc/18/19/18/608181918.db2.gz LUUINRMUCPEFKQ-UHFFFAOYSA-N -1 1 371.854 2.034 20 0 FEADMM CCOC(=O)N(C)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825517764 608181920 /nfs/dbraw/zinc/18/19/20/608181920.db2.gz LUUINRMUCPEFKQ-UHFFFAOYSA-N -1 1 371.854 2.034 20 0 FEADMM Cn1cncc1[C@@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826365170 608181969 /nfs/dbraw/zinc/18/19/69/608181969.db2.gz DNTPIMAIHIPXCO-QMMMGPOBSA-N -1 1 350.839 2.442 20 0 FEADMM Cn1cncc1[C@@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826365170 608181970 /nfs/dbraw/zinc/18/19/70/608181970.db2.gz DNTPIMAIHIPXCO-QMMMGPOBSA-N -1 1 350.839 2.442 20 0 FEADMM CC(C)(C)OC(=O)N1CC(Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824104463 608183934 /nfs/dbraw/zinc/18/39/34/608183934.db2.gz UASNJXSODAMMCC-UHFFFAOYSA-N -1 1 357.827 2.008 20 0 FEADMM CC(C)(C)OC(=O)N1CC(Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824104463 608183936 /nfs/dbraw/zinc/18/39/36/608183936.db2.gz UASNJXSODAMMCC-UHFFFAOYSA-N -1 1 357.827 2.008 20 0 FEADMM CN1C(=O)COc2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cc21 ZINC000826017725 608187445 /nfs/dbraw/zinc/18/74/45/608187445.db2.gz OCQCDTIMBFWEDH-UHFFFAOYSA-N -1 1 363.790 2.075 20 0 FEADMM CN1C(=O)COc2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cc21 ZINC000826017725 608187446 /nfs/dbraw/zinc/18/74/46/608187446.db2.gz OCQCDTIMBFWEDH-UHFFFAOYSA-N -1 1 363.790 2.075 20 0 FEADMM O=C1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CN1C1CCCCC1 ZINC000826478686 608191957 /nfs/dbraw/zinc/19/19/57/608191957.db2.gz HVHBMLQLYCEYMZ-QMMMGPOBSA-N -1 1 367.866 2.322 20 0 FEADMM O=C1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CN1C1CCCCC1 ZINC000826478686 608191959 /nfs/dbraw/zinc/19/19/59/608191959.db2.gz HVHBMLQLYCEYMZ-QMMMGPOBSA-N -1 1 367.866 2.322 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826523264 608198857 /nfs/dbraw/zinc/19/88/57/608198857.db2.gz HCMJNJTZMYXIGC-KZULUSFZSA-N -1 1 352.398 2.165 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826523264 608198859 /nfs/dbraw/zinc/19/88/59/608198859.db2.gz HCMJNJTZMYXIGC-KZULUSFZSA-N -1 1 352.398 2.165 20 0 FEADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826189330 608247605 /nfs/dbraw/zinc/24/76/05/608247605.db2.gz SXYVAMAAWLEQRH-ZUZCIYMTSA-N -1 1 373.438 2.443 20 0 FEADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826189330 608247607 /nfs/dbraw/zinc/24/76/07/608247607.db2.gz SXYVAMAAWLEQRH-ZUZCIYMTSA-N -1 1 373.438 2.443 20 0 FEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656798 608394938 /nfs/dbraw/zinc/39/49/38/608394938.db2.gz MYJPHIDHISLTPW-JTQLQIEISA-N -1 1 350.386 2.178 20 0 FEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656798 608394939 /nfs/dbraw/zinc/39/49/39/608394939.db2.gz MYJPHIDHISLTPW-JTQLQIEISA-N -1 1 350.386 2.178 20 0 FEADMM CCOc1c(Cl)cc(CNc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000825605639 608401451 /nfs/dbraw/zinc/40/14/51/608401451.db2.gz ZKBKLVMXAWTPFH-UHFFFAOYSA-N -1 1 361.793 2.330 20 0 FEADMM CCOc1c(Cl)cc(CNc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000825605639 608401453 /nfs/dbraw/zinc/40/14/53/608401453.db2.gz ZKBKLVMXAWTPFH-UHFFFAOYSA-N -1 1 361.793 2.330 20 0 FEADMM Fc1ccc(-c2nc(CCNc3ccc(-c4nnn[n-]4)nn3)co2)cc1 ZINC000826372762 608410572 /nfs/dbraw/zinc/41/05/72/608410572.db2.gz KRVLDICOTOLDJM-UHFFFAOYSA-N -1 1 352.333 2.105 20 0 FEADMM Fc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)nn3)co2)cc1 ZINC000826372762 608410574 /nfs/dbraw/zinc/41/05/74/608410574.db2.gz KRVLDICOTOLDJM-UHFFFAOYSA-N -1 1 352.333 2.105 20 0 FEADMM c1ccc2c(c1)cccc2COC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826522959 608431100 /nfs/dbraw/zinc/43/11/00/608431100.db2.gz UXAVDTZGEHLIGC-UHFFFAOYSA-N -1 1 359.393 2.215 20 0 FEADMM c1ccc2c(c1)cccc2COC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826522959 608431101 /nfs/dbraw/zinc/43/11/01/608431101.db2.gz UXAVDTZGEHLIGC-UHFFFAOYSA-N -1 1 359.393 2.215 20 0 FEADMM CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825259784 608431680 /nfs/dbraw/zinc/43/16/80/608431680.db2.gz KYBRJFOPYPORTK-LLVKDONJSA-N -1 1 362.438 2.152 20 0 FEADMM CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825259784 608431681 /nfs/dbraw/zinc/43/16/81/608431681.db2.gz KYBRJFOPYPORTK-LLVKDONJSA-N -1 1 362.438 2.152 20 0 FEADMM COc1ccc2c(c1)OC[C@@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000826212960 608440721 /nfs/dbraw/zinc/44/07/21/608440721.db2.gz HDDNCNMQWUJJDY-JTQLQIEISA-N -1 1 358.789 2.339 20 0 FEADMM COc1ccc2c(c1)OC[C@@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000826212960 608440723 /nfs/dbraw/zinc/44/07/23/608440723.db2.gz HDDNCNMQWUJJDY-JTQLQIEISA-N -1 1 358.789 2.339 20 0 FEADMM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000826335261 608618494 /nfs/dbraw/zinc/61/84/94/608618494.db2.gz GFGUGQPKJBLVIA-OAHLLOKOSA-N -1 1 363.381 2.451 20 0 FEADMM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(-c3nn[n-]n3)o2)o1 ZINC000826335261 608618495 /nfs/dbraw/zinc/61/84/95/608618495.db2.gz GFGUGQPKJBLVIA-OAHLLOKOSA-N -1 1 363.381 2.451 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000826279889 608667604 /nfs/dbraw/zinc/66/76/04/608667604.db2.gz GITOQLHCJRAWJG-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000824984821 608694499 /nfs/dbraw/zinc/69/44/99/608694499.db2.gz OAGHQHOHKSRYJZ-TXEJJXNPSA-N -1 1 362.434 2.289 20 0 FEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000824984821 608694501 /nfs/dbraw/zinc/69/45/01/608694501.db2.gz OAGHQHOHKSRYJZ-TXEJJXNPSA-N -1 1 362.434 2.289 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826472535 608823895 /nfs/dbraw/zinc/82/38/95/608823895.db2.gz NOUZTJLBMPUENB-VXGBXAGGSA-N -1 1 359.386 2.015 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826472535 608823899 /nfs/dbraw/zinc/82/38/99/608823899.db2.gz NOUZTJLBMPUENB-VXGBXAGGSA-N -1 1 359.386 2.015 20 0 FEADMM O=C(Nc1c2nsnc2ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826450243 609198623 /nfs/dbraw/zinc/19/86/23/609198623.db2.gz CQDNJEQZTHEHIZ-UHFFFAOYSA-N -1 1 358.774 2.172 20 0 FEADMM O=C(Nc1c2nsnc2ccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826450243 609198624 /nfs/dbraw/zinc/19/86/24/609198624.db2.gz CQDNJEQZTHEHIZ-UHFFFAOYSA-N -1 1 358.774 2.172 20 0 FEADMM CC(C)c1nnc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000824364744 609278265 /nfs/dbraw/zinc/27/82/65/609278265.db2.gz SMDUSGYRHFYNGC-UHFFFAOYSA-N -1 1 369.364 2.310 20 0 FEADMM O=C(Cc1cccs1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826423765 609293212 /nfs/dbraw/zinc/29/32/12/609293212.db2.gz FDSFBQAVEXVLOF-UHFFFAOYSA-N -1 1 369.385 2.434 20 0 FEADMM CCOc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825653432 609296407 /nfs/dbraw/zinc/29/64/07/609296407.db2.gz CKVPYGRWZCZJIA-UHFFFAOYSA-N -1 1 372.410 2.340 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825499679 609407653 /nfs/dbraw/zinc/40/76/53/609407653.db2.gz QZZLEPIAXDOSGL-WDEREUQCSA-N -1 1 364.427 2.455 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825499679 609407655 /nfs/dbraw/zinc/40/76/55/609407655.db2.gz QZZLEPIAXDOSGL-WDEREUQCSA-N -1 1 364.427 2.455 20 0 FEADMM Cc1onc(CC(=O)N(C)c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826342917 609469824 /nfs/dbraw/zinc/46/98/24/609469824.db2.gz FLBRWUAVOZKXBH-UHFFFAOYSA-N -1 1 350.741 2.161 20 0 FEADMM Cc1onc(CC(=O)N(C)c2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826342917 609469825 /nfs/dbraw/zinc/46/98/25/609469825.db2.gz FLBRWUAVOZKXBH-UHFFFAOYSA-N -1 1 350.741 2.161 20 0 FEADMM Cc1onc(CC(=O)NC[C@]2(C)CCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826347321 609470797 /nfs/dbraw/zinc/47/07/97/609470797.db2.gz MVSSSHFHUZMSSY-IBGZPJMESA-N -1 1 366.425 2.116 20 0 FEADMM Cc1onc(CC(=O)NC[C@]2(C)CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826347321 609470798 /nfs/dbraw/zinc/47/07/98/609470798.db2.gz MVSSSHFHUZMSSY-IBGZPJMESA-N -1 1 366.425 2.116 20 0 FEADMM Cc1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1-c1nn[nH]n1 ZINC000826310137 609579743 /nfs/dbraw/zinc/57/97/43/609579743.db2.gz MLHNBOWQCHYVHK-UHFFFAOYSA-N -1 1 364.409 2.375 20 0 FEADMM C[C@@](NC(=O)c1ccc(-c2nnn[n-]2)nc1)(c1ccccc1)C(F)(F)F ZINC000824513234 609604298 /nfs/dbraw/zinc/60/42/98/609604298.db2.gz AHIFCPHIVKFDFM-OAHLLOKOSA-N -1 1 362.315 2.469 20 0 FEADMM C[C@@](NC(=O)c1ccc(-c2nn[n-]n2)nc1)(c1ccccc1)C(F)(F)F ZINC000824513234 609604301 /nfs/dbraw/zinc/60/43/01/609604301.db2.gz AHIFCPHIVKFDFM-OAHLLOKOSA-N -1 1 362.315 2.469 20 0 FEADMM Cc1cc(-n2cccn2)ccc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826256734 609608602 /nfs/dbraw/zinc/60/86/02/609608602.db2.gz YCIUKYKWKUSQKH-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1cc(-n2cccn2)ccc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826256734 609608604 /nfs/dbraw/zinc/60/86/04/609608604.db2.gz YCIUKYKWKUSQKH-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1nnc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)s1 ZINC000559985265 674563051 /nfs/dbraw/zinc/56/30/51/674563051.db2.gz ZGSPRCOOWYTLEQ-UHFFFAOYSA-N -1 1 355.832 2.259 20 0 FEADMM Cc1nnc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)s1 ZINC000559985265 674563052 /nfs/dbraw/zinc/56/30/52/674563052.db2.gz ZGSPRCOOWYTLEQ-UHFFFAOYSA-N -1 1 355.832 2.259 20 0 FEADMM O=C(COC(=O)[C@@H](O)c1ccc(Cl)cc1F)[N-]C(=O)c1ccccc1 ZINC000811372543 674598461 /nfs/dbraw/zinc/59/84/61/674598461.db2.gz ZJQQLDGTWMGPBS-HNNXBMFYSA-N -1 1 365.744 2.012 20 0 FEADMM CC(C)S(=O)(=O)CCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000811553959 674612959 /nfs/dbraw/zinc/61/29/59/674612959.db2.gz OXQYJNVVXSXYJC-UHFFFAOYSA-N -1 1 356.831 2.147 20 0 FEADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000811836428 674632900 /nfs/dbraw/zinc/63/29/00/674632900.db2.gz USBWTLNLUYZXKH-UHFFFAOYSA-N -1 1 366.830 2.035 20 0 FEADMM CCOc1ncccc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812279241 674661550 /nfs/dbraw/zinc/66/15/50/674661550.db2.gz ULPSRTMMXYLUGH-NSHDSACASA-N -1 1 359.348 2.011 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C(/C)c2cccc(F)c2)c1 ZINC000812361357 674670130 /nfs/dbraw/zinc/67/01/30/674670130.db2.gz WCDGEOWZAYKAIN-FLIBITNWSA-N -1 1 364.398 2.481 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2Br)n1 ZINC000561506139 674673754 /nfs/dbraw/zinc/67/37/54/674673754.db2.gz QFCKFKUUUPCNQJ-QMMMGPOBSA-N -1 1 360.233 2.321 20 0 FEADMM CON(C)C(=O)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000812708725 674694814 /nfs/dbraw/zinc/69/48/14/674694814.db2.gz GPLVXTNPZKIFIB-UHFFFAOYSA-N -1 1 371.231 2.027 20 0 FEADMM CCCc1nc(=NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)s[n-]1 ZINC000562036736 674717283 /nfs/dbraw/zinc/71/72/83/674717283.db2.gz YUBWLPKWLNQURO-CYBMUJFWSA-N -1 1 351.451 2.476 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)o1 ZINC000562177242 674726823 /nfs/dbraw/zinc/72/68/23/674726823.db2.gz LCMVZYVECTXKEP-MRVPVSSYSA-N -1 1 360.844 2.320 20 0 FEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc2)n[nH]1 ZINC000562226920 674730558 /nfs/dbraw/zinc/73/05/58/674730558.db2.gz IPMHDBSNBOLLCW-UHFFFAOYSA-N -1 1 364.349 2.101 20 0 FEADMM Cc1ccncc1/C=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813282786 674733532 /nfs/dbraw/zinc/73/35/32/674733532.db2.gz AIGAAVYJOVEBDJ-ZFDPJTLLSA-N -1 1 355.360 2.320 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc4ccccc4c(Cl)n3)nc2n1 ZINC000813378938 674739725 /nfs/dbraw/zinc/73/97/25/674739725.db2.gz VPTYUFUXTAEDNG-UHFFFAOYSA-N -1 1 354.757 2.180 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1F ZINC000644279003 677241127 /nfs/dbraw/zinc/24/11/27/677241127.db2.gz MAKUXNUJYBKOGG-PELKAZGASA-N -1 1 359.316 2.397 20 0 FEADMM O=C(N[C@H](CO)C1CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000813506392 674753648 /nfs/dbraw/zinc/75/36/48/674753648.db2.gz VQZOJQFNZDABCM-LLVKDONJSA-N -1 1 351.200 2.204 20 0 FEADMM C[C@H]1CN(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCO1 ZINC000562462224 674759443 /nfs/dbraw/zinc/75/94/43/674759443.db2.gz LIXVGLCMBSPNTG-VIFPVBQESA-N -1 1 371.261 2.132 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H](O)C2CCCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813635817 674763458 /nfs/dbraw/zinc/76/34/58/674763458.db2.gz HQYPDIRZWRWVQV-AUZPSNTRSA-N -1 1 364.408 2.232 20 0 FEADMM CCc1nc(SCC(=O)NCCOc2cccc(F)c2)[n-]c(=O)c1C ZINC000563635146 674921061 /nfs/dbraw/zinc/92/10/61/674921061.db2.gz GVWPQDNTFMIBQZ-UHFFFAOYSA-N -1 1 365.430 2.479 20 0 FEADMM C[C@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)C(C)(F)F ZINC000815493427 674954277 /nfs/dbraw/zinc/95/42/77/674954277.db2.gz HTDQMEJGZRKLHR-MRVPVSSYSA-N -1 1 365.279 2.379 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc3c(s2)CCC3)cc1 ZINC000009069865 669983616 /nfs/dbraw/zinc/98/36/16/669983616.db2.gz AVVWVTABFNAQKW-UHFFFAOYSA-N -1 1 359.403 2.359 20 0 FEADMM COc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])cc1OC ZINC000010623543 669989016 /nfs/dbraw/zinc/98/90/16/669989016.db2.gz JTGHCRYRAOBBTO-UHFFFAOYSA-N -1 1 350.758 2.138 20 0 FEADMM Cc1occc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000017276278 670023465 /nfs/dbraw/zinc/02/34/65/670023465.db2.gz MMIBSIQWAPYQPO-UHFFFAOYSA-N -1 1 353.277 2.303 20 0 FEADMM COCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000028202819 670088034 /nfs/dbraw/zinc/08/80/34/670088034.db2.gz MLJGWFJIWNKROM-UHFFFAOYSA-N -1 1 366.414 2.393 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1OC ZINC000032086991 670126419 /nfs/dbraw/zinc/12/64/19/670126419.db2.gz LLYMUPYZAAPNTC-UHFFFAOYSA-N -1 1 368.386 2.051 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c1 ZINC000032598880 670130361 /nfs/dbraw/zinc/13/03/61/670130361.db2.gz HLATXQYRCBIAMP-UHFFFAOYSA-N -1 1 359.407 2.160 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2cccc(Cl)c2)o1 ZINC000042263917 670160511 /nfs/dbraw/zinc/16/05/11/670160511.db2.gz DFRPJYARDIOXRB-UHFFFAOYSA-N -1 1 359.787 2.077 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC000045774182 670209005 /nfs/dbraw/zinc/20/90/05/670209005.db2.gz XBPQSRVNPKIFMU-UHFFFAOYSA-N -1 1 357.391 2.444 20 0 FEADMM CCC(Nc1ccnn1C(C)C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054502499 670337809 /nfs/dbraw/zinc/33/78/09/670337809.db2.gz XNZWJFDFLVGKHZ-OWBHPGMISA-N -1 1 363.487 2.439 20 0 FEADMM COc1c(F)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000055319628 670349709 /nfs/dbraw/zinc/34/97/09/670349709.db2.gz IMWHFDYCNLNKDQ-UHFFFAOYSA-N -1 1 372.349 2.303 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)OC(C)(C)C ZINC000062481957 670401244 /nfs/dbraw/zinc/40/12/44/670401244.db2.gz UCNHWVINKMQQCJ-UHFFFAOYSA-N -1 1 357.428 2.337 20 0 FEADMM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070623 670452353 /nfs/dbraw/zinc/45/23/53/670452353.db2.gz VQKRIRODSAGOKF-LBPRGKRZSA-N -1 1 365.503 2.319 20 0 FEADMM CCCc1noc(CCCC(=O)NCCc2n[n-]c(=S)n2C2CC2)n1 ZINC000067079221 670452961 /nfs/dbraw/zinc/45/29/61/670452961.db2.gz OZKRHQNUYXUSLW-UHFFFAOYSA-N -1 1 364.475 2.293 20 0 FEADMM O=S(=O)(CCOCC(F)(F)F)[N-]c1cnn(Cc2ccccc2)c1 ZINC000565275457 675107430 /nfs/dbraw/zinc/10/74/30/675107430.db2.gz JJDVCOQIRNAMPY-UHFFFAOYSA-N -1 1 363.361 2.252 20 0 FEADMM CCc1nncn1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000565282918 675107848 /nfs/dbraw/zinc/10/78/48/675107848.db2.gz DKIWVHROFZVJBR-UHFFFAOYSA-N -1 1 367.233 2.265 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000068453345 670471349 /nfs/dbraw/zinc/47/13/49/670471349.db2.gz XKWDYFHUVXCKIE-UHFFFAOYSA-N -1 1 357.443 2.023 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc4ccccc4o3)[C@@H]2C1 ZINC000569167026 670519085 /nfs/dbraw/zinc/51/90/85/670519085.db2.gz ZMNSODRBAKYUGD-XHSDSOJGSA-N -1 1 362.451 2.358 20 0 FEADMM O=S(=O)(Cc1nnc(C2CC2)s1)c1nnc(Cc2cccs2)[n-]1 ZINC000569309698 670539876 /nfs/dbraw/zinc/53/98/76/670539876.db2.gz VVILIORSFFJVDD-UHFFFAOYSA-N -1 1 367.481 2.160 20 0 FEADMM O=S(=O)(Cc1nnc(C2CC2)s1)c1n[n-]c(Cc2cccs2)n1 ZINC000569309698 670539884 /nfs/dbraw/zinc/53/98/84/670539884.db2.gz VVILIORSFFJVDD-UHFFFAOYSA-N -1 1 367.481 2.160 20 0 FEADMM Cc1cnn(CCN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC000817294878 675118839 /nfs/dbraw/zinc/11/88/39/675118839.db2.gz STVRTJQPCLPNMJ-AWEZNQCLSA-N -1 1 352.360 2.301 20 0 FEADMM N#C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1cccc(Cl)c1Cl ZINC000080161153 670617659 /nfs/dbraw/zinc/61/76/59/670617659.db2.gz LISCEHZSCGMHFQ-IUCAKERBSA-N -1 1 357.222 2.021 20 0 FEADMM Cc1ccc(Br)cc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000565462273 675123608 /nfs/dbraw/zinc/12/36/08/675123608.db2.gz CCYMPTUCAWENEP-NSHDSACASA-N -1 1 364.247 2.219 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@H](Cc2ccccc2)c2cccs2)s1 ZINC000080345883 670622908 /nfs/dbraw/zinc/62/29/08/670622908.db2.gz RKMLTJDRFATAJB-OCCSQVGLSA-N -1 1 359.476 2.495 20 0 FEADMM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1=O ZINC000080786061 670631278 /nfs/dbraw/zinc/63/12/78/670631278.db2.gz BLGDZZJVUBITEM-MRVPVSSYSA-N -1 1 366.270 2.066 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2Br)cc1 ZINC000570211295 670679050 /nfs/dbraw/zinc/67/90/50/670679050.db2.gz BLYVELGQXFLZNM-UHFFFAOYSA-N -1 1 374.260 2.172 20 0 FEADMM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1cccc(F)c1F ZINC000088779952 670693215 /nfs/dbraw/zinc/69/32/15/670693215.db2.gz UZONJWATGOLATH-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CO1 ZINC000817489828 675138224 /nfs/dbraw/zinc/13/82/24/675138224.db2.gz GZBVRTKNVBMQOH-KGYLQXTDSA-N -1 1 356.344 2.048 20 0 FEADMM CCCCNC(=O)CCS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000565638626 675138607 /nfs/dbraw/zinc/13/86/07/675138607.db2.gz PCZMSJRTYPLBQH-UHFFFAOYSA-N -1 1 370.862 2.205 20 0 FEADMM CCCCNC(=O)CCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000565638626 675138609 /nfs/dbraw/zinc/13/86/09/675138609.db2.gz PCZMSJRTYPLBQH-UHFFFAOYSA-N -1 1 370.862 2.205 20 0 FEADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCC(=O)OC(C)C)c1 ZINC000104127258 670790589 /nfs/dbraw/zinc/79/05/89/670790589.db2.gz LCWLJDMAQKJTJB-UHFFFAOYSA-N -1 1 362.455 2.374 20 0 FEADMM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCn1ccnc1 ZINC000572490225 671008617 /nfs/dbraw/zinc/00/86/17/671008617.db2.gz XNVCFKRTODCWLI-AWEZNQCLSA-N -1 1 350.216 2.157 20 0 FEADMM Cc1nc2ccc(CN[C@@H]3CCN([C@H](C(=O)[O-])C(C)C)C3=O)cc2s1 ZINC000572583253 671019421 /nfs/dbraw/zinc/01/94/21/671019421.db2.gz OVKQWBYZPLWBLQ-ZBFHGGJFSA-N -1 1 361.467 2.404 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000573959009 671185993 /nfs/dbraw/zinc/18/59/93/671185993.db2.gz OCZBMBWNRTYHCP-JGVFFNPUSA-N -1 1 372.390 2.329 20 0 FEADMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)C(=O)OC ZINC000574274006 671221182 /nfs/dbraw/zinc/22/11/82/671221182.db2.gz ZMXMFKFHMLZZDJ-CWRNSKLLSA-N -1 1 357.472 2.271 20 0 FEADMM Cn1nc2c(c1C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)CCCC2 ZINC000574334121 671227749 /nfs/dbraw/zinc/22/77/49/671227749.db2.gz OQBJPGCMZPCPEL-UHFFFAOYSA-N -1 1 359.373 2.195 20 0 FEADMM CSCc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000574348201 671229174 /nfs/dbraw/zinc/22/91/74/671229174.db2.gz SKGNGWOBNPIOPQ-UHFFFAOYSA-N -1 1 352.437 2.155 20 0 FEADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000575129901 671300204 /nfs/dbraw/zinc/30/02/04/671300204.db2.gz CSPWEVBAPSAWSZ-SNVBAGLBSA-N -1 1 354.453 2.287 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1C ZINC000575522509 671314601 /nfs/dbraw/zinc/31/46/01/671314601.db2.gz XKOMPHOPMSLMNG-UHFFFAOYSA-N -1 1 366.443 2.140 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000576093507 671343468 /nfs/dbraw/zinc/34/34/68/671343468.db2.gz OLCDHMQFQKUDAU-AWEZNQCLSA-N -1 1 351.428 2.477 20 0 FEADMM COC(=O)C[C@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000576315756 671360035 /nfs/dbraw/zinc/36/00/35/671360035.db2.gz QYCVUGDLFRHARU-QMMMGPOBSA-N -1 1 367.199 2.384 20 0 FEADMM C[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)N1CCOCC1 ZINC000576529956 671375309 /nfs/dbraw/zinc/37/53/09/671375309.db2.gz KTKWAXOLGQYTAI-QMMMGPOBSA-N -1 1 363.639 2.467 20 0 FEADMM Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)Cc2ccccc2Cl)cn1 ZINC000577765119 671618799 /nfs/dbraw/zinc/61/87/99/671618799.db2.gz FPFQIJFTBIYWJA-UHFFFAOYSA-N -1 1 365.846 2.416 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000577929544 671629079 /nfs/dbraw/zinc/62/90/79/671629079.db2.gz HXJCVZGKQVHJCU-SECBINFHSA-N -1 1 351.346 2.326 20 0 FEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCO[C@]4(CCOC4)C3)c12 ZINC000578631143 671678893 /nfs/dbraw/zinc/67/88/93/671678893.db2.gz RXARTQLQQAIDBJ-APPDUMDISA-N -1 1 363.439 2.178 20 0 FEADMM C[C@@H]1C[C@H](C)N1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579655931 671750805 /nfs/dbraw/zinc/75/08/05/671750805.db2.gz PFGPBVQSXBBUGZ-DTORHVGOSA-N -1 1 351.255 2.281 20 0 FEADMM O=C([O-])c1csc(CCNc2nc(C(F)(F)F)nc3[nH]cnc32)n1 ZINC000579957365 671773160 /nfs/dbraw/zinc/77/31/60/671773160.db2.gz AJQCLBCOKINSMV-UHFFFAOYSA-N -1 1 358.305 2.133 20 0 FEADMM CCC1N=NC(=S)N1CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000119730794 671906800 /nfs/dbraw/zinc/90/68/00/671906800.db2.gz DGWXWKBDJXXMTC-UHFFFAOYSA-N -1 1 371.260 2.027 20 0 FEADMM Cc1ccc(C(=O)NCCO)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000123102180 671975034 /nfs/dbraw/zinc/97/50/34/671975034.db2.gz AIPTWGCLNROKBN-UHFFFAOYSA-N -1 1 368.842 2.171 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@H]1CN(C)CCO1 ZINC000125744869 672016142 /nfs/dbraw/zinc/01/61/42/672016142.db2.gz JNPBIQRMTVMHFN-JGVFFNPUSA-N -1 1 359.300 2.052 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c(C(F)(F)F)n1 ZINC000582773425 672032450 /nfs/dbraw/zinc/03/24/50/672032450.db2.gz MJEQYWVSZSUDEU-UHFFFAOYSA-N -1 1 358.345 2.399 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000582964510 672050500 /nfs/dbraw/zinc/05/05/00/672050500.db2.gz RUTOQPMDZYZBNV-MBNYWOFBSA-N -1 1 350.415 2.073 20 0 FEADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000132792099 672101703 /nfs/dbraw/zinc/10/17/03/672101703.db2.gz LSYGQWJTFUTIGC-CQSZACIVSA-N -1 1 359.806 2.500 20 0 FEADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cn(C)c(Cl)n3)c2C)o1 ZINC000135409327 672132945 /nfs/dbraw/zinc/13/29/45/672132945.db2.gz UZQONXYESSWSDE-UHFFFAOYSA-N -1 1 355.807 2.474 20 0 FEADMM C[C@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1ncc(C(=O)[O-])s1 ZINC000583937369 672140798 /nfs/dbraw/zinc/14/07/98/672140798.db2.gz KQTSVFIUTJCDMN-BYPYZUCNSA-N -1 1 358.305 2.700 20 0 FEADMM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCO1 ZINC000584279885 672172624 /nfs/dbraw/zinc/17/26/24/672172624.db2.gz WKHAGBBJBCDRMV-GHMZBOCLSA-N -1 1 369.409 2.311 20 0 FEADMM Cc1ccc(C(=O)[N-]NC(=O)Cc2ccsc2)c(Br)n1 ZINC000152009000 672173204 /nfs/dbraw/zinc/17/32/04/672173204.db2.gz HKYBDHDZJKQQJT-UHFFFAOYSA-N -1 1 354.229 2.218 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C2CCCCC2)c(Br)o1 ZINC000153573422 672200590 /nfs/dbraw/zinc/20/05/90/672200590.db2.gz JNTDHDYYGWTSHO-UHFFFAOYSA-N -1 1 366.233 2.440 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc(Cl)c1[O-] ZINC000153598143 672201109 /nfs/dbraw/zinc/20/11/09/672201109.db2.gz SWYRCGOCSNMUOT-GFCCVEGCSA-N -1 1 366.845 2.433 20 0 FEADMM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc21)c1cc(F)c(F)cc1F ZINC000162180215 672302727 /nfs/dbraw/zinc/30/27/27/672302727.db2.gz GYUDEIFNINLYGE-INIZCTEOSA-N -1 1 357.353 2.216 20 0 FEADMM O=C([N-]OCCC(F)(F)F)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000162753724 672306153 /nfs/dbraw/zinc/30/61/53/672306153.db2.gz AGCLPBFTMKZHTB-MRVPVSSYSA-N -1 1 352.259 2.318 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccco1 ZINC000175354614 672367935 /nfs/dbraw/zinc/36/79/35/672367935.db2.gz PFFQPHHDYMQXSS-SNVBAGLBSA-N -1 1 355.803 2.247 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2cc(C(F)(F)F)ccc2C)n1 ZINC000176685063 672376186 /nfs/dbraw/zinc/37/61/86/672376186.db2.gz RZIBLFQWNCBSAH-UHFFFAOYSA-N -1 1 362.333 2.118 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000176720755 672376620 /nfs/dbraw/zinc/37/66/20/672376620.db2.gz VRSLRMVDECHYOC-UHFFFAOYSA-N -1 1 363.226 2.406 20 0 FEADMM CSc1nc(C)c(CCC(=O)OC[C@H]2CC2(Cl)Cl)c(=O)[n-]1 ZINC000177888447 672387232 /nfs/dbraw/zinc/38/72/32/672387232.db2.gz OSCAOSQBGJQBEG-MRVPVSSYSA-N -1 1 351.255 2.470 20 0 FEADMM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)NCCCc1nc(=O)[n-][nH]1 ZINC000178552944 672392597 /nfs/dbraw/zinc/39/25/97/672392597.db2.gz GZZLUNKAONKOLX-FLIBITNWSA-N -1 1 374.750 2.446 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)o1 ZINC000611103369 676017154 /nfs/dbraw/zinc/01/71/54/676017154.db2.gz YHHQKEOKYNDQDC-UHFFFAOYSA-N -1 1 353.352 2.182 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)co1 ZINC000179171706 672399428 /nfs/dbraw/zinc/39/94/28/672399428.db2.gz MENMMCKKMAPBRC-UHFFFAOYSA-N -1 1 352.456 2.134 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)C=Cc1ccc(Cl)cc1 ZINC000181999856 672436752 /nfs/dbraw/zinc/43/67/52/672436752.db2.gz BQRPKTOYVNKHGM-QPJJXVBHSA-N -1 1 358.785 2.179 20 0 FEADMM Cn1cnnc1Sc1ccc(Br)cc1[N-]S(C)(=O)=O ZINC000588077282 672447751 /nfs/dbraw/zinc/44/77/51/672447751.db2.gz DDMFWPFCOASGRZ-UHFFFAOYSA-N -1 1 363.262 2.100 20 0 FEADMM COc1cc(C)[n-]c(=NNC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)n1 ZINC000184356409 672498005 /nfs/dbraw/zinc/49/80/05/672498005.db2.gz DFIPPYHPSSBGHE-ZJUUUORDSA-N -1 1 352.316 2.458 20 0 FEADMM COc1cccc(NCC(=O)N[N-]C(=O)c2ccc(F)c(Cl)c2F)c1 ZINC000184421601 672498681 /nfs/dbraw/zinc/49/86/81/672498681.db2.gz VTURNQGQIDOXHY-UHFFFAOYSA-N -1 1 369.755 2.500 20 0 FEADMM C[C@@](O)(CNC(=O)c1nnc2ccccc2c1O)c1cccc(Cl)c1 ZINC000185128052 672520267 /nfs/dbraw/zinc/52/02/67/672520267.db2.gz BFRAXNCSAIQNEU-GOSISDBHSA-N -1 1 357.797 2.214 20 0 FEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1F ZINC000611226464 676026408 /nfs/dbraw/zinc/02/64/08/676026408.db2.gz FJTPURCNHLVFCX-UHFFFAOYSA-N -1 1 369.418 2.271 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)CCc2ccc(C)cc2Br)n[nH]1 ZINC000185791696 672534380 /nfs/dbraw/zinc/53/43/80/672534380.db2.gz QXWAMUCXTHISCC-UHFFFAOYSA-N -1 1 365.231 2.183 20 0 FEADMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000589937241 672549329 /nfs/dbraw/zinc/54/93/29/672549329.db2.gz HSKUNOITWRUKKY-UHFFFAOYSA-N -1 1 365.398 2.374 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000590500921 672586326 /nfs/dbraw/zinc/58/63/26/672586326.db2.gz QLKUEAWDMUOZAK-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000590500921 672586329 /nfs/dbraw/zinc/58/63/29/672586329.db2.gz QLKUEAWDMUOZAK-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(COCC(F)(F)F)no1 ZINC000680666379 672597293 /nfs/dbraw/zinc/59/72/93/672597293.db2.gz DUSDMJFTRVDVTQ-SSDOTTSWSA-N -1 1 371.362 2.250 20 0 FEADMM N#Cc1ccc(C2(C(=O)NNC(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000189047101 672606208 /nfs/dbraw/zinc/60/62/08/672606208.db2.gz DJRNWNWZBAFBAI-UHFFFAOYSA-N -1 1 355.781 2.410 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c(F)c1 ZINC000681016953 672621632 /nfs/dbraw/zinc/62/16/32/672621632.db2.gz QJUXXVOTQXVKAP-CVEARBPZSA-N -1 1 361.410 2.457 20 0 FEADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc([O-])c(F)c1 ZINC000681066108 672626100 /nfs/dbraw/zinc/62/61/00/672626100.db2.gz NDJDNMQUESTIKM-JTQLQIEISA-N -1 1 350.296 2.345 20 0 FEADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000681090287 672628465 /nfs/dbraw/zinc/62/84/65/672628465.db2.gz NVEYSONRRJOXML-CQSZACIVSA-N -1 1 352.387 2.060 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CSc2ccc3c(c2)OCCO3)n1 ZINC000591303548 672667639 /nfs/dbraw/zinc/66/76/39/672667639.db2.gz WQLUSMOGEJZIAZ-UHFFFAOYSA-N -1 1 363.395 2.088 20 0 FEADMM Cn1cccc1C(=O)N[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000192093719 672681786 /nfs/dbraw/zinc/68/17/86/672681786.db2.gz VYIQLPJBDXQHRT-UHFFFAOYSA-N -1 1 358.142 2.141 20 0 FEADMM CC(C)(C)OC(=O)Cn1cc([N-]c2nnc(-c3ccccn3)s2)cn1 ZINC000591956410 672725923 /nfs/dbraw/zinc/72/59/23/672725923.db2.gz QGDIVFAGHXQCSW-UHFFFAOYSA-N -1 1 358.427 2.882 20 0 FEADMM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(C)C ZINC000592055970 672743924 /nfs/dbraw/zinc/74/39/24/672743924.db2.gz WRSFNZADEYZMBU-NSHDSACASA-N -1 1 368.377 2.355 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000592075676 672749060 /nfs/dbraw/zinc/74/90/60/672749060.db2.gz OYWVCQIEYHFEPU-GFCCVEGCSA-N -1 1 365.398 2.230 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)Cc2cccc(C)c2)c(F)c1 ZINC000682418809 672754163 /nfs/dbraw/zinc/75/41/63/672754163.db2.gz HTAWYLFGUIJGGT-CYBMUJFWSA-N -1 1 371.405 2.164 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@@H]1SC ZINC000592103145 672756921 /nfs/dbraw/zinc/75/69/21/672756921.db2.gz CSROXSDJDCNKJJ-WZRBSPASSA-N -1 1 355.403 2.291 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000195059211 672774627 /nfs/dbraw/zinc/77/46/27/672774627.db2.gz IRLAUQWXQRGCSE-QMMMGPOBSA-N -1 1 366.374 2.499 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)n[n-]1 ZINC000195172163 672777373 /nfs/dbraw/zinc/77/73/73/672777373.db2.gz NQBOACOJSSIRGC-OLZOCXBDSA-N -1 1 368.503 2.057 20 0 FEADMM O=S(=O)([N-][C@H]1CC[C@H](O)CC1)c1cc(Br)cnc1Cl ZINC000252706700 672878260 /nfs/dbraw/zinc/87/82/60/672878260.db2.gz UWRZIEKGWIXVES-KYZUINATSA-N -1 1 369.668 2.079 20 0 FEADMM CC1(C)CC[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)O1 ZINC000683872027 672880753 /nfs/dbraw/zinc/88/07/53/672880753.db2.gz NROIFRPYCUIKLD-NEPJUHHUSA-N -1 1 353.785 2.155 20 0 FEADMM O=C(NCc1nnnn1-c1ccccc1)c1ccc(Br)cc1[O-] ZINC000593419976 672920995 /nfs/dbraw/zinc/92/09/95/672920995.db2.gz IPFRVBKBCYUYFY-UHFFFAOYSA-N -1 1 374.198 2.060 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2Cc3ccc(F)cc32)cc1[N-]S(C)(=O)=O ZINC000684376351 672929411 /nfs/dbraw/zinc/92/94/11/672929411.db2.gz IQSGWRMYXSQFDT-CQSZACIVSA-N -1 1 364.398 2.484 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)CC1CC1 ZINC000593640201 672967402 /nfs/dbraw/zinc/96/74/02/672967402.db2.gz XSPAFBHODIDKMH-LBPRGKRZSA-N -1 1 355.387 2.440 20 0 FEADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874365 672972932 /nfs/dbraw/zinc/97/29/32/672972932.db2.gz RBUBHBHLIWAPNI-SECBINFHSA-N -1 1 353.362 2.306 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc3N2)o1 ZINC000593729520 672983623 /nfs/dbraw/zinc/98/36/23/672983623.db2.gz BVCYELJXYCXRTQ-CYBMUJFWSA-N -1 1 364.423 2.162 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)cc1 ZINC000685003080 672984256 /nfs/dbraw/zinc/98/42/56/672984256.db2.gz XNRSSYARXYQTPN-UHFFFAOYSA-N -1 1 360.391 2.045 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C2(C)CCCCC2)c(Br)n1C ZINC000311415471 673026767 /nfs/dbraw/zinc/02/67/67/673026767.db2.gz CZRITPLJCXBCRT-UHFFFAOYSA-N -1 1 350.282 2.492 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCCc2ccccc2)c(Br)n1C ZINC000314812380 673033420 /nfs/dbraw/zinc/03/34/20/673033420.db2.gz PPQJRQHPXZEQNG-UHFFFAOYSA-N -1 1 372.288 2.402 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000322233556 673041714 /nfs/dbraw/zinc/04/17/14/673041714.db2.gz CBCJUFODUHTRKM-GFCCVEGCSA-N -1 1 360.863 2.061 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC2(CC2(F)F)C1 ZINC000594386983 673066155 /nfs/dbraw/zinc/06/61/55/673066155.db2.gz BERIAFLRPZFJCI-UHFFFAOYSA-N -1 1 365.117 2.478 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCOC(C)(C)C)c1F ZINC000594448277 673073637 /nfs/dbraw/zinc/07/36/37/673073637.db2.gz DZOQTRHNAWSERA-UHFFFAOYSA-N -1 1 367.826 2.359 20 0 FEADMM CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000716793839 673075904 /nfs/dbraw/zinc/07/59/04/673075904.db2.gz QDJXHJZPZSFUFR-VXNVDRBHSA-N -1 1 371.684 2.325 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCSC2)c1F ZINC000594467458 673078191 /nfs/dbraw/zinc/07/81/91/673078191.db2.gz KQLVHGZKZKNGOG-MRVPVSSYSA-N -1 1 367.851 2.297 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C1 ZINC000594829405 673154759 /nfs/dbraw/zinc/15/47/59/673154759.db2.gz IAGOHFORUAATAH-MGCOHNPYSA-N -1 1 365.810 2.112 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3F)cn21 ZINC000416408952 673186901 /nfs/dbraw/zinc/18/69/01/673186901.db2.gz 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/nfs/dbraw/zinc/22/88/63/676228863.db2.gz APTPQFOIFIWVFJ-UHFFFAOYSA-N -1 1 357.439 2.338 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc3nc[nH]c3c2)c(=O)[n-]1 ZINC000615789085 676228864 /nfs/dbraw/zinc/22/88/64/676228864.db2.gz APTPQFOIFIWVFJ-UHFFFAOYSA-N -1 1 357.439 2.338 20 0 FEADMM CCOc1ccc(NC(=O)CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000568445397 675374149 /nfs/dbraw/zinc/37/41/49/675374149.db2.gz SPNPRKNSZDDZEE-UHFFFAOYSA-N -1 1 350.321 2.438 20 0 FEADMM CC1(C)C[C@](C)([N-]S(=O)(=O)c2sccc2Br)C(=O)O1 ZINC000820729762 675382849 /nfs/dbraw/zinc/38/28/49/675382849.db2.gz DQNPJGSYAXVOJP-NSHDSACASA-N -1 1 368.274 2.273 20 0 FEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1 ZINC000821151119 675418585 /nfs/dbraw/zinc/41/85/85/675418585.db2.gz VJTCRXWIDMJUMA-OAHLLOKOSA-N -1 1 356.444 2.427 20 0 FEADMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1c[nH]nc1C(F)(F)F ZINC000821192760 675420844 /nfs/dbraw/zinc/42/08/44/675420844.db2.gz XFKNEIIFCNXFBQ-UHFFFAOYSA-N -1 1 358.305 2.014 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000823644795 675564972 /nfs/dbraw/zinc/56/49/72/675564972.db2.gz HDBMIVUZXNQPGG-LBPRGKRZSA-N -1 1 359.253 2.449 20 0 FEADMM O=C(NCCSCCC(F)(F)F)c1ccc2n[n-]c(=S)n2c1 ZINC000825730668 675666379 /nfs/dbraw/zinc/66/63/79/675666379.db2.gz PNGOEYSHSKCVLK-UHFFFAOYSA-N -1 1 350.391 2.433 20 0 FEADMM Fc1cc(Br)ccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826372485 675687327 /nfs/dbraw/zinc/68/73/27/675687327.db2.gz YPKURHOUICIQSL-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1cc(Br)ccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826372485 675687330 /nfs/dbraw/zinc/68/73/30/675687330.db2.gz YPKURHOUICIQSL-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)Nc1cccc(F)c1[O-] ZINC000827448153 675756739 /nfs/dbraw/zinc/75/67/39/675756739.db2.gz PGPPBOIWISUDEN-UHFFFAOYSA-N -1 1 359.279 2.458 20 0 FEADMM C[C@@H]1SCC[C@@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000827649536 675770618 /nfs/dbraw/zinc/77/06/18/675770618.db2.gz JFSMEMGYUQTRAN-HTFCKZLJSA-N -1 1 367.437 2.367 20 0 FEADMM C[C@H](C[C@H](C)[N-]S(=O)(=O)c1c[nH]nc1Cl)NC(=O)OC(C)(C)C ZINC000827792603 675778803 /nfs/dbraw/zinc/77/88/03/675778803.db2.gz MCRQTOHTSAMSKO-BDAKNGLRSA-N -1 1 366.871 2.033 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000827881456 675785234 /nfs/dbraw/zinc/78/52/34/675785234.db2.gz FEMCSNIBWSXOTN-SSDOTTSWSA-N -1 1 356.778 2.091 20 0 FEADMM Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1nnn[n-]1 ZINC000605532464 675818169 /nfs/dbraw/zinc/81/81/69/675818169.db2.gz CGLVRDYCFSIZHD-UHFFFAOYSA-N -1 1 362.191 2.017 20 0 FEADMM Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1nn[n-]n1 ZINC000605532464 675818172 /nfs/dbraw/zinc/81/81/72/675818172.db2.gz CGLVRDYCFSIZHD-UHFFFAOYSA-N -1 1 362.191 2.017 20 0 FEADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000828850537 675848354 /nfs/dbraw/zinc/84/83/54/675848354.db2.gz NZGSWGFNDFAWOP-JTQLQIEISA-N -1 1 364.751 2.463 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2NC(C)=O)c(F)c1 ZINC000608031009 675882388 /nfs/dbraw/zinc/88/23/88/675882388.db2.gz PTLALJDFMLXCFF-UHFFFAOYSA-N -1 1 370.377 2.410 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CSc2ccccc2Cl)n[n-]1 ZINC000615918931 676233462 /nfs/dbraw/zinc/23/34/62/676233462.db2.gz JAKZFCPJDKLWHC-UHFFFAOYSA-N -1 1 354.819 2.043 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CSc2ccccc2Cl)n1 ZINC000615918931 676233465 /nfs/dbraw/zinc/23/34/65/676233465.db2.gz JAKZFCPJDKLWHC-UHFFFAOYSA-N -1 1 354.819 2.043 20 0 FEADMM CCC[C@@H](C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)OCC ZINC000619012553 676360318 /nfs/dbraw/zinc/36/03/18/676360318.db2.gz PZBYAONHRZACAV-JTQLQIEISA-N -1 1 365.398 2.231 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)co1 ZINC000677311811 679675482 /nfs/dbraw/zinc/67/54/82/679675482.db2.gz BNBWYTKQHXWHQL-GXSJLCMTSA-N -1 1 368.377 2.286 20 0 FEADMM CCOc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)nn1 ZINC000620825053 676431591 /nfs/dbraw/zinc/43/15/91/676431591.db2.gz SRHBYABTOQXDOQ-UHFFFAOYSA-N -1 1 362.817 2.197 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccnc3cc(C)nn32)c(=O)[n-]1 ZINC000621081299 676439275 /nfs/dbraw/zinc/43/92/75/676439275.db2.gz TXUFSSJBRUDDPM-UHFFFAOYSA-N -1 1 358.427 2.135 20 0 FEADMM O=C([O-])C1CN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000621829505 676476445 /nfs/dbraw/zinc/47/64/45/676476445.db2.gz YXZLRDAFLONSBU-OAHLLOKOSA-N -1 1 351.834 2.203 20 0 FEADMM O=C([O-])C1CN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000621828776 676476482 /nfs/dbraw/zinc/47/64/82/676476482.db2.gz SVNCFPMXVCSDTR-UHFFFAOYSA-N -1 1 351.834 2.030 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc2c(c(Cl)c1)OCO2 ZINC000622612642 676502925 /nfs/dbraw/zinc/50/29/25/676502925.db2.gz FJMPHESPWCHZGQ-CYBMUJFWSA-N -1 1 357.757 2.101 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccnc(SCC)c3)nc2n1 ZINC000622996662 676514906 /nfs/dbraw/zinc/51/49/06/676514906.db2.gz VYVGASFQTTTWIT-UHFFFAOYSA-N -1 1 358.427 2.129 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(F)c1 ZINC000677805844 679698640 /nfs/dbraw/zinc/69/86/40/679698640.db2.gz QZAVRIPISUGJOU-UHFFFAOYSA-N -1 1 356.350 2.216 20 0 FEADMM CCO[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CC1 ZINC000626472516 676707538 /nfs/dbraw/zinc/70/75/38/676707538.db2.gz AAGGRQRSWSBYOF-QWHCGFSZSA-N -1 1 353.785 2.013 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2)C1CC1 ZINC000629296327 676842323 /nfs/dbraw/zinc/84/23/23/676842323.db2.gz XLXCVNLXGQLQMY-OAHLLOKOSA-N -1 1 356.419 2.267 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(Cc2cccs2)C1 ZINC000629623673 676863441 /nfs/dbraw/zinc/86/34/41/676863441.db2.gz QCJCZOVRSGVWAT-UHFFFAOYSA-N -1 1 356.451 2.357 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000630221315 676887784 /nfs/dbraw/zinc/88/77/84/676887784.db2.gz XPGWQTJBTVLEHF-BPLDGKMQSA-N -1 1 350.846 2.451 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630223469 676888033 /nfs/dbraw/zinc/88/80/33/676888033.db2.gz UPJGHBGDPPDTRV-LBPRGKRZSA-N -1 1 354.834 2.115 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2ccc(Br)c(F)c2F)n[n-]1 ZINC000630417952 676898450 /nfs/dbraw/zinc/89/84/50/676898450.db2.gz ZLOTUJYZBPYAEE-UHFFFAOYSA-N -1 1 366.187 2.382 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccnc(N2CCOCC2)c1 ZINC000630703961 676917514 /nfs/dbraw/zinc/91/75/14/676917514.db2.gz UXTCECWQLRIFRG-UHFFFAOYSA-N -1 1 361.829 2.136 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000631707941 676952866 /nfs/dbraw/zinc/95/28/66/676952866.db2.gz LVWMCMBPHVNQLE-HIFRSBDPSA-N -1 1 357.859 2.156 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000631850361 676960353 /nfs/dbraw/zinc/96/03/53/676960353.db2.gz OFLLTEDUUYXTFB-UHFFFAOYSA-N -1 1 351.332 2.467 20 0 FEADMM COc1ccc(C[N-]S(=O)(=O)c2conc2C)cc1Br ZINC000631879513 676961659 /nfs/dbraw/zinc/96/16/59/676961659.db2.gz ZPZJIVVVLHFJQI-UHFFFAOYSA-N -1 1 361.217 2.233 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C12CCC2 ZINC000632030010 676971789 /nfs/dbraw/zinc/97/17/89/676971789.db2.gz PXVFKMARVAUBEM-ZJUUUORDSA-N -1 1 353.366 2.055 20 0 FEADMM Cc1nocc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000632094906 676975244 /nfs/dbraw/zinc/97/52/44/676975244.db2.gz JPHNHORXCNDRIT-HNNXBMFYSA-N -1 1 366.439 2.328 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000632097307 676975507 /nfs/dbraw/zinc/97/55/07/676975507.db2.gz GJXTXICLJXTVRU-CQSZACIVSA-N -1 1 355.437 2.225 20 0 FEADMM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1csnc1-c1ccccc1 ZINC000632147163 676978412 /nfs/dbraw/zinc/97/84/12/676978412.db2.gz DWOQUGRZMDBTBE-JTQLQIEISA-N -1 1 366.386 2.402 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000632177127 676979991 /nfs/dbraw/zinc/97/99/91/676979991.db2.gz LTJUZCVKSNWWIU-KBXCAEBGSA-N -1 1 363.435 2.457 20 0 FEADMM CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cc(OC)ccc1[O-] ZINC000632381012 676991248 /nfs/dbraw/zinc/99/12/48/676991248.db2.gz TVHCCTVPFQOCBR-SECBINFHSA-N -1 1 357.350 2.037 20 0 FEADMM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632454539 676995468 /nfs/dbraw/zinc/99/54/68/676995468.db2.gz DFFWNHWIUCMAAP-PWSUYJOCSA-N -1 1 361.345 2.019 20 0 FEADMM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CCc1nn[n-]n1 ZINC000632549306 677001475 /nfs/dbraw/zinc/00/14/75/677001475.db2.gz PHQGYRXYMUFADA-LBPRGKRZSA-N -1 1 366.263 2.375 20 0 FEADMM CC[C@H]1Cc2c(Br)cccc2CN1C(=O)CCc1nn[n-]n1 ZINC000632774774 677014862 /nfs/dbraw/zinc/01/48/62/677014862.db2.gz NBKNVEZYXDZELQ-NSHDSACASA-N -1 1 364.247 2.258 20 0 FEADMM CCOc1cc(Br)c(F)cc1NC(=O)CCc1nn[n-]n1 ZINC000633149508 677034126 /nfs/dbraw/zinc/03/41/26/677034126.db2.gz YNJUNPCKUNJDRR-UHFFFAOYSA-N -1 1 358.171 2.071 20 0 FEADMM COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000830348215 677035279 /nfs/dbraw/zinc/03/52/79/677035279.db2.gz FARPYBOFQSKWQO-GFCCVEGCSA-N -1 1 356.375 2.081 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccc(Cl)cc1 ZINC000830690045 677055198 /nfs/dbraw/zinc/05/51/98/677055198.db2.gz FUHFDCKGMWRTBF-JTQLQIEISA-N -1 1 350.227 2.383 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC000830788415 677060612 /nfs/dbraw/zinc/06/06/12/677060612.db2.gz CRIBJAFWCCPVAQ-LRDDRELGSA-N -1 1 356.344 2.050 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)C1 ZINC000830795945 677061116 /nfs/dbraw/zinc/06/11/16/677061116.db2.gz SOWOFVISYGMVAP-ZENOOKHLSA-N -1 1 356.344 2.165 20 0 FEADMM CCC[C@@H]1C[C@@H](C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000830807441 677061929 /nfs/dbraw/zinc/06/19/29/677061929.db2.gz JKZSBCKKVZMGPB-ZOWXZIJZSA-N -1 1 350.381 2.251 20 0 FEADMM COc1cc(C(=O)N2CCC(CCO)(CCO)CC2)cc(Cl)c1[O-] ZINC000634114000 677071382 /nfs/dbraw/zinc/07/13/82/677071382.db2.gz PLFCTUZAKODCSD-UHFFFAOYSA-N -1 1 357.834 2.041 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634236475 677073158 /nfs/dbraw/zinc/07/31/58/677073158.db2.gz WLBUITLGVWSNMD-DTWKUNHWSA-N -1 1 368.149 2.398 20 0 FEADMM O=S(=O)(CCOCC1CCC1)[N-]c1cc(-c2nc[nH]n2)ccc1F ZINC000634792357 677082769 /nfs/dbraw/zinc/08/27/69/677082769.db2.gz NWBZPLVDTLMSGR-UHFFFAOYSA-N -1 1 354.407 2.169 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000635019137 677087484 /nfs/dbraw/zinc/08/74/84/677087484.db2.gz RIJXMWSOWFUQFS-PIGZYNQJSA-N -1 1 370.833 2.099 20 0 FEADMM O=C(CCCc1nn[n-]n1)NC1(c2cccc(Br)c2)CC1 ZINC000635595094 677102680 /nfs/dbraw/zinc/10/26/80/677102680.db2.gz GKEGHJUTMDQHMH-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM C[C@H](NC(=O)CCCc1nn[n-]n1)c1ccc(Br)cc1F ZINC000635925019 677110417 /nfs/dbraw/zinc/11/04/17/677110417.db2.gz HRBYPIBWJLSTEN-QMMMGPOBSA-N -1 1 356.199 2.301 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000635996271 677111732 /nfs/dbraw/zinc/11/17/32/677111732.db2.gz CXWDHEDKMUKELB-NSHDSACASA-N -1 1 368.210 2.228 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000636176498 677114832 /nfs/dbraw/zinc/11/48/32/677114832.db2.gz NTRGLRABQMRUBM-KRWDZBQOSA-N -1 1 363.849 2.084 20 0 FEADMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc([O-])c1Cl ZINC000639409389 677159328 /nfs/dbraw/zinc/15/93/28/677159328.db2.gz UKRUXLRGGJNPGZ-KRWDZBQOSA-N -1 1 359.813 2.382 20 0 FEADMM CSc1nc(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc(=O)[n-]1 ZINC000640657314 677185413 /nfs/dbraw/zinc/18/54/13/677185413.db2.gz FLNOFRFITSLQNU-SNVBAGLBSA-N -1 1 365.842 2.425 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640658746 677185521 /nfs/dbraw/zinc/18/55/21/677185521.db2.gz RWUOAGWZSNRJCO-UHFFFAOYSA-N -1 1 353.831 2.425 20 0 FEADMM CCOc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000641940019 677217293 /nfs/dbraw/zinc/21/72/93/677217293.db2.gz ZJLXQNKUXCLVTK-UHFFFAOYSA-N -1 1 370.814 2.344 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000642092562 677218087 /nfs/dbraw/zinc/21/80/87/677218087.db2.gz WNIIVAHKQHZAAK-UHFFFAOYSA-N -1 1 355.437 2.037 20 0 FEADMM COCc1ccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)o1 ZINC000642173732 677218726 /nfs/dbraw/zinc/21/87/26/677218726.db2.gz WDQWAUPDXFOTRR-UHFFFAOYSA-N -1 1 354.384 2.058 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3cc(C)cn3c2)c1 ZINC000642989958 677222655 /nfs/dbraw/zinc/22/26/55/677222655.db2.gz CZYCAAZVQOUINK-UHFFFAOYSA-N -1 1 359.407 2.114 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000643989561 677235870 /nfs/dbraw/zinc/23/58/70/677235870.db2.gz ZGNZPUZIRQXSNW-LBPRGKRZSA-N -1 1 360.849 2.265 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc2n[nH]cc2c(C)c1)C1CCOCC1 ZINC000647129136 677295875 /nfs/dbraw/zinc/29/58/75/677295875.db2.gz FNPPZHYKIXUSFM-INIZCTEOSA-N -1 1 353.444 2.055 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c(C(F)(F)F)n1 ZINC000647273292 677299257 /nfs/dbraw/zinc/29/92/57/677299257.db2.gz KDOMZQAAPLCMFB-JTQLQIEISA-N -1 1 354.350 2.276 20 0 FEADMM O=S(=O)(CCCC1CCOCC1)[N-]c1cc([C@@H]2CCCOC2)[nH]n1 ZINC000647275354 677299385 /nfs/dbraw/zinc/29/93/85/677299385.db2.gz WJKFSNLYOOLQHO-CQSZACIVSA-N -1 1 357.476 2.252 20 0 FEADMM O=C(c1ncccc1[O-])N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000647790488 677306022 /nfs/dbraw/zinc/30/60/22/677306022.db2.gz ACIJBVSOOWWBPB-NSHDSACASA-N -1 1 364.199 2.238 20 0 FEADMM O=S(=O)([N-]c1ccc2oc(CO)cc2c1)c1ccc2c(c1)OCCO2 ZINC000647919147 677308512 /nfs/dbraw/zinc/30/85/12/677308512.db2.gz OQIHQHDTMAJFHH-UHFFFAOYSA-N -1 1 361.375 2.497 20 0 FEADMM CCCc1ccc(CCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000649210715 677327702 /nfs/dbraw/zinc/32/77/02/677327702.db2.gz JBJCQDXYLUWJBV-UHFFFAOYSA-N -1 1 350.444 2.122 20 0 FEADMM CCCc1ccc(CCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000649210715 677327703 /nfs/dbraw/zinc/32/77/03/677327703.db2.gz JBJCQDXYLUWJBV-UHFFFAOYSA-N -1 1 350.444 2.122 20 0 FEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000649578700 677333254 /nfs/dbraw/zinc/33/32/54/677333254.db2.gz HYFCAOFQPMRXLO-UHFFFAOYSA-N -1 1 366.464 2.273 20 0 FEADMM CCN(C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H]1CCCOC1 ZINC000650056347 677350720 /nfs/dbraw/zinc/35/07/20/677350720.db2.gz 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CCCCO[C@@H]1C[C@@H](OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(C)C ZINC000761240263 680716473 /nfs/dbraw/zinc/71/64/73/680716473.db2.gz VTERHPWBXZVZTK-CHWSQXEVSA-N -1 1 359.444 2.328 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(C)o2)C(F)(F)F)cn1 ZINC000655660116 677658667 /nfs/dbraw/zinc/65/86/67/677658667.db2.gz LQNLTVHAOUNELG-LBPRGKRZSA-N -1 1 367.349 2.013 20 0 FEADMM COC1CCN(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000656623402 677788930 /nfs/dbraw/zinc/78/89/30/677788930.db2.gz FOKAVFOXJCLSCW-AWEZNQCLSA-N -1 1 364.471 2.260 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1)[C@@H]1CCOC1 ZINC000656623514 677789470 /nfs/dbraw/zinc/78/94/70/677789470.db2.gz FYSOACSTGYSXHV-WBMJQRKESA-N -1 1 366.439 2.498 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2ncco2)cc1)[C@@H]1CCOC1 ZINC000656625618 677790829 /nfs/dbraw/zinc/79/08/29/677790829.db2.gz BZWNYYJGSXMDRD-HIFRSBDPSA-N -1 1 352.412 2.135 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl)[C@@H]1CCOC1 ZINC000656626204 677791396 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O=C1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)N1 ZINC000657188821 677978125 /nfs/dbraw/zinc/97/81/25/677978125.db2.gz GMYKJZCPQJDTDE-ZETCQYMHSA-N -1 1 357.646 2.204 20 0 FEADMM Cn1cnnc1-c1ccnc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000762619158 680756028 /nfs/dbraw/zinc/75/60/28/680756028.db2.gz XOUNNVSXSYACDW-CLFYSBASSA-N -1 1 359.386 2.429 20 0 FEADMM COc1cc(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)on1 ZINC000660011537 678253646 /nfs/dbraw/zinc/25/36/46/678253646.db2.gz HHHNGPPXEBDUAX-UHFFFAOYSA-N -1 1 367.210 2.477 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCN2Cc2ccccc2)sc1C ZINC000660132665 678290705 /nfs/dbraw/zinc/29/07/05/678290705.db2.gz UIOXOXODRDMCCE-OAHLLOKOSA-N -1 1 351.497 2.313 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2cc[nH]n2)s1 ZINC000762841770 680763273 /nfs/dbraw/zinc/76/32/73/680763273.db2.gz ALMIZFMNASXOFV-CQSZACIVSA-N -1 1 351.395 2.171 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000839829071 680782050 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CSc1cc2c(cc1[N-]C(=O)c1nc3ncc(C)cn3n1)OCCO2 ZINC000667856419 679129277 /nfs/dbraw/zinc/12/92/77/679129277.db2.gz KLDQCJJPGBRIBE-UHFFFAOYSA-N -1 1 357.395 2.178 20 0 FEADMM COCCn1cc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cn1 ZINC000669471008 679237534 /nfs/dbraw/zinc/23/75/34/679237534.db2.gz GLQIZUNSUAQJTH-CQSZACIVSA-N -1 1 368.231 2.208 20 0 FEADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000765445350 680842475 /nfs/dbraw/zinc/84/24/75/680842475.db2.gz JYZWWBBXFGZVIO-SNVBAGLBSA-N -1 1 368.842 2.445 20 0 FEADMM Cc1ccc(Br)c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000675638484 679569038 /nfs/dbraw/zinc/56/90/38/679569038.db2.gz DBAKNKSAKLFMCA-UHFFFAOYSA-N -1 1 350.220 2.470 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(F)(F)C2)o1 ZINC000675670929 679571848 /nfs/dbraw/zinc/57/18/48/679571848.db2.gz SLJVKHRAASXTDD-SECBINFHSA-N -1 1 350.387 2.274 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1F ZINC000747593841 679891930 /nfs/dbraw/zinc/89/19/30/679891930.db2.gz 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O=C([N-][C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C(F)(F)F)C(F)F ZINC001008852984 679969412 /nfs/dbraw/zinc/96/94/12/679969412.db2.gz OXRZTTIFEFHELY-IYSWYEEDSA-N -1 1 359.682 2.052 20 0 FEADMM Cc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3c[nH]nc3Cl)C2)cc1C ZINC000831404169 679978498 /nfs/dbraw/zinc/97/84/98/679978498.db2.gz MRDNVZHEYPGLLR-LBPRGKRZSA-N -1 1 368.846 2.151 20 0 FEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c1F ZINC000749168679 680025241 /nfs/dbraw/zinc/02/52/41/680025241.db2.gz OMMGNLYODLCVJD-LURJTMIESA-N -1 1 374.192 2.224 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)CNC(=O)OC(C)(C)C ZINC000749962298 680090365 /nfs/dbraw/zinc/09/03/65/680090365.db2.gz FORQHAUAMDOULQ-SNVBAGLBSA-N -1 1 364.414 2.404 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)c(F)c1 ZINC000832142774 680100874 /nfs/dbraw/zinc/10/08/74/680100874.db2.gz ZLWMBRGISPHXOW-GFCCVEGCSA-N -1 1 370.229 2.475 20 0 FEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-])c1sccc1F ZINC000976568859 680138055 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Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1CCN(CC(F)F)CC1 ZINC000848096844 681472544 /nfs/dbraw/zinc/47/25/44/681472544.db2.gz LEKQZCREBJJXRC-UHFFFAOYSA-N -1 1 356.417 2.321 20 0 FEADMM CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000777429676 681492870 /nfs/dbraw/zinc/49/28/70/681492870.db2.gz MVKPOFYPVSBKAH-UHFFFAOYSA-N -1 1 354.378 2.496 20 0 FEADMM O=C([N-]N1C(=O)c2ccc(Br)cc2C1=O)C1(F)CCCC1 ZINC000848271052 681506188 /nfs/dbraw/zinc/50/61/88/681506188.db2.gz WJBWPKBGSIUZOU-UHFFFAOYSA-N -1 1 355.163 2.359 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)c(F)cc1F ZINC000777602465 681509594 /nfs/dbraw/zinc/50/95/94/681509594.db2.gz NYLJHNVEBBRZAR-UHFFFAOYSA-N -1 1 371.365 2.159 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)nn1C(C)C ZINC000848338680 681522578 /nfs/dbraw/zinc/52/25/78/681522578.db2.gz RGKZKWBSDDOFKD-VXGBXAGGSA-N -1 1 360.380 2.444 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc2cc[nH]c2n1 ZINC000848340727 681524040 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C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852758459 682337278 /nfs/dbraw/zinc/33/72/78/682337278.db2.gz IDQFSDOYKHVXFE-SYQHCUMBSA-N -1 1 363.424 2.070 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@@H](C)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852758718 682337353 /nfs/dbraw/zinc/33/73/53/682337353.db2.gz IOOJSAIDCHHKCX-LPWJVIDDSA-N -1 1 351.413 2.069 20 0 FEADMM O=C([C@H](O)c1ccc(Cl)cc1F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342333 682539246 /nfs/dbraw/zinc/53/92/46/682539246.db2.gz PMJBNAKYOYLTRB-GFCCVEGCSA-N -1 1 355.753 2.007 20 0 FEADMM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854341917 682539387 /nfs/dbraw/zinc/53/93/87/682539387.db2.gz ACLVPVPKUDAJGU-UHFFFAOYSA-N -1 1 361.427 2.060 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCCCC1 ZINC000788876924 682561572 /nfs/dbraw/zinc/56/15/72/682561572.db2.gz LFXSBLYEIPOELG-UHFFFAOYSA-N -1 1 351.424 2.215 20 0 FEADMM CCc1ccc(CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nc1 ZINC000854527996 682562229 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COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000550790671 674110514 /nfs/dbraw/zinc/11/05/14/674110514.db2.gz YMEDVSLMALDEQP-UHFFFAOYSA-N -1 1 363.317 2.324 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2nc(C)cs2)c(=O)[n-]1 ZINC000067862437 541521735 /nfs/dbraw/zinc/52/17/35/541521735.db2.gz KPPBVBOUUXCGFO-JTQLQIEISA-N -1 1 352.485 2.375 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1nnn(-c2cccc(C)c2)c1C ZINC000543130270 541537810 /nfs/dbraw/zinc/53/78/10/541537810.db2.gz WJJWEFUQPMZTOQ-UHFFFAOYSA-N -1 1 368.397 2.047 20 0 FEADMM CCCCN(CCOC)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000068114938 541551258 /nfs/dbraw/zinc/55/12/58/541551258.db2.gz KMUSNRPCVHTAAD-UHFFFAOYSA-N -1 1 360.476 2.245 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000068209721 541563190 /nfs/dbraw/zinc/56/31/90/541563190.db2.gz USRNFURIKXVIKK-GFCCVEGCSA-N -1 1 362.329 2.221 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2=COCCC2)c1 ZINC000068511452 541601070 /nfs/dbraw/zinc/60/10/70/541601070.db2.gz GENJKDCVSPMBDN-UHFFFAOYSA-N -1 1 354.428 2.056 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000068429369 541590764 /nfs/dbraw/zinc/59/07/64/541590764.db2.gz ZBIIMRKUCMMESM-HNNXBMFYSA-N -1 1 371.466 2.377 20 0 FEADMM CCCS(=O)(=O)CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447027 541593463 /nfs/dbraw/zinc/59/34/63/541593463.db2.gz VSHGBIDNJMSAEV-UHFFFAOYSA-N -1 1 374.532 2.052 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1F ZINC000068716686 541622218 /nfs/dbraw/zinc/62/22/18/541622218.db2.gz URABNMREDRUQDM-UHFFFAOYSA-N -1 1 373.413 2.399 20 0 FEADMM O=S(=O)([N-]CCOC[C@@H]1CCOC1)c1cc(Cl)sc1Cl ZINC000068943422 541643832 /nfs/dbraw/zinc/64/38/32/541643832.db2.gz DVNDVTAWTHXOEM-MRVPVSSYSA-N -1 1 360.284 2.386 20 0 FEADMM CC(C)C(=O)N1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000069498146 541691361 /nfs/dbraw/zinc/69/13/61/541691361.db2.gz IFNDTINJFBALQY-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nn(C3CCCCC3)cc2C)o1 ZINC000544305141 541749273 /nfs/dbraw/zinc/74/92/73/541749273.db2.gz ZMJNXGZKMLYYFX-UHFFFAOYSA-N -1 1 366.443 2.450 20 0 FEADMM C[C@H](CN1CCOCC1)OC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801357994 674124004 /nfs/dbraw/zinc/12/40/04/674124004.db2.gz GHKQGDUGDGMUOI-GFCCVEGCSA-N -1 1 365.817 2.109 20 0 FEADMM CCOc1nnc(COC(=O)c2nn(-c3ccc(C)cc3)cc2[O-])s1 ZINC000801372243 674124755 /nfs/dbraw/zinc/12/47/55/674124755.db2.gz VAUYVGICNXKKFO-UHFFFAOYSA-N -1 1 360.395 2.494 20 0 FEADMM O=C(COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])NC1CCCC1 ZINC000801360332 674124294 /nfs/dbraw/zinc/12/42/94/674124294.db2.gz BVXMDIXWERCNLK-UHFFFAOYSA-N -1 1 363.801 2.447 20 0 FEADMM Cc1ccc(-n2cc([O-])c(C(=O)OCC(=O)OCC(F)(F)F)n2)cc1 ZINC000801366819 674124356 /nfs/dbraw/zinc/12/43/56/674124356.db2.gz LWYKGZYQAZJSST-UHFFFAOYSA-N -1 1 358.272 2.149 20 0 FEADMM C[C@H]1CN(CCOC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCO1 ZINC000801373828 674124798 /nfs/dbraw/zinc/12/47/98/674124798.db2.gz QAHDTNVWJRQQOW-LBPRGKRZSA-N -1 1 365.817 2.109 20 0 FEADMM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000551116719 674124816 /nfs/dbraw/zinc/12/48/16/674124816.db2.gz CUCFGVVJUGYTBU-UHFFFAOYSA-N -1 1 356.325 2.191 20 0 FEADMM CC(C)c1ccc(-n2cc([O-])c(C(=O)OCCCS(C)(=O)=O)n2)cc1 ZINC000801410036 674125956 /nfs/dbraw/zinc/12/59/56/674125956.db2.gz DPSXLRWUAXEMGZ-UHFFFAOYSA-N -1 1 366.439 2.293 20 0 FEADMM CO[C@@]1(C)C[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1(C)C ZINC000073265128 541938300 /nfs/dbraw/zinc/93/83/00/541938300.db2.gz CSRNWVNZANVVIJ-QRWLVFNGSA-N -1 1 370.453 2.003 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OCC(F)(F)F)nc1 ZINC000073956780 542019221 /nfs/dbraw/zinc/01/92/21/542019221.db2.gz ITYIHQRHVDFHDI-UHFFFAOYSA-N -1 1 355.198 2.412 20 0 FEADMM COc1ccc(OCCN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000074272576 542062623 /nfs/dbraw/zinc/06/26/23/542062623.db2.gz MSMSKLMURVZMCD-UHFFFAOYSA-N -1 1 353.378 2.495 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000074631935 542105895 /nfs/dbraw/zinc/10/58/95/542105895.db2.gz LIEMYEGVLLIGHF-UHFFFAOYSA-N -1 1 361.423 2.148 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3ccc(Br)c(F)c3)ccnc1-2 ZINC000801703035 674144632 /nfs/dbraw/zinc/14/46/32/674144632.db2.gz GRJYTGUIEFRUDK-UHFFFAOYSA-N -1 1 363.190 2.425 20 0 FEADMM Cc1nc(-c2ccc(NCCCOC[C@H]3CCOC3)nc2)[n-]c(=O)c1C ZINC000078299521 542453057 /nfs/dbraw/zinc/45/30/57/542453057.db2.gz YONNSOPGBHOPGZ-OAHLLOKOSA-N -1 1 358.442 2.304 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000071848796 221382665 /nfs/dbraw/zinc/38/26/65/221382665.db2.gz FGTBGUBCDZADSK-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2C)C2CCOCC2)n1 ZINC000551696533 674158403 /nfs/dbraw/zinc/15/84/03/674158403.db2.gz FESUJOJHEXZXAB-OAHLLOKOSA-N -1 1 369.418 2.272 20 0 FEADMM O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080002032 542557338 /nfs/dbraw/zinc/55/73/38/542557338.db2.gz PNSBERMFHRNKMP-UHFFFAOYSA-N -1 1 364.323 2.408 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)n[n-]c1=S ZINC000080640835 542598945 /nfs/dbraw/zinc/59/89/45/542598945.db2.gz HZTQWCYUEHOLRY-AWEZNQCLSA-N -1 1 363.462 2.380 20 0 FEADMM CC(C)Cn1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000081280829 542644044 /nfs/dbraw/zinc/64/40/44/542644044.db2.gz VFQUKNQAPGARSY-UHFFFAOYSA-N -1 1 368.459 2.461 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@H](CC(C)C)c2ccccc2)n[n-]1 ZINC000086170366 542735181 /nfs/dbraw/zinc/73/51/81/542735181.db2.gz UKZDZUPCALEYHU-CQSZACIVSA-N -1 1 364.471 2.044 20 0 FEADMM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000092269259 542853249 /nfs/dbraw/zinc/85/32/49/542853249.db2.gz FGJLEUJARWMGRI-UHFFFAOYSA-N -1 1 373.352 2.412 20 0 FEADMM C[C@H](CO)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000097374842 543011583 /nfs/dbraw/zinc/01/15/83/543011583.db2.gz YWXJVZIAOPYUOZ-SECBINFHSA-N -1 1 350.321 2.033 20 0 FEADMM CCCNC(=O)C1([N-]S(=O)(=O)c2cc(F)ccc2F)CCCCC1 ZINC000102412081 543069119 /nfs/dbraw/zinc/06/91/19/543069119.db2.gz OSVSVFSLUKFEDS-UHFFFAOYSA-N -1 1 360.426 2.472 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)Cc2cccc(F)c2)C2CCOCC2)n1 ZINC000551888824 674169252 /nfs/dbraw/zinc/16/92/52/674169252.db2.gz NRGBCIBYVCKMPN-HNNXBMFYSA-N -1 1 369.418 2.104 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3c([O-])cc(F)cc3F)n2)cc1 ZINC000103533199 543114672 /nfs/dbraw/zinc/11/46/72/543114672.db2.gz UYGUMJZWWNKOGJ-UHFFFAOYSA-N -1 1 360.320 2.394 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)c3c([O-])cc(F)cc3F)n[nH]2)cc1 ZINC000103533199 543114674 /nfs/dbraw/zinc/11/46/74/543114674.db2.gz UYGUMJZWWNKOGJ-UHFFFAOYSA-N -1 1 360.320 2.394 20 0 FEADMM CCOCc1ccccc1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104032122 543121000 /nfs/dbraw/zinc/12/10/00/543121000.db2.gz XDDCNLYKUYKTHA-UHFFFAOYSA-N -1 1 368.437 2.035 20 0 FEADMM Cc1ccc(SCCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000104144763 543124876 /nfs/dbraw/zinc/12/48/76/543124876.db2.gz BOIXQCZRWIULGS-UHFFFAOYSA-N -1 1 370.478 2.399 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(F)c(Cl)c1 ZINC000104882105 543148975 /nfs/dbraw/zinc/14/89/75/543148975.db2.gz AUPPIKLRUJKOEH-UHFFFAOYSA-N -1 1 362.792 2.291 20 0 FEADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000104910773 543150055 /nfs/dbraw/zinc/15/00/55/543150055.db2.gz LIKMGGKLVXGXTO-CYBMUJFWSA-N -1 1 350.212 2.488 20 0 FEADMM CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2ccccc2[O-])cn1 ZINC000106709628 543244340 /nfs/dbraw/zinc/24/43/40/543244340.db2.gz RDPQSPLJVQRBBQ-UHFFFAOYSA-N -1 1 357.391 2.234 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CC[C@@H]2CCOC2)n[n-]1 ZINC000551922048 674173155 /nfs/dbraw/zinc/17/31/55/674173155.db2.gz DVBGSXSIIALPAC-CHWSQXEVSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CC[C@@H]2CCOC2)[n-]1 ZINC000551922048 674173158 /nfs/dbraw/zinc/17/31/58/674173158.db2.gz DVBGSXSIIALPAC-CHWSQXEVSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CC[C@@H]2CCOC2)n1 ZINC000551922048 674173159 /nfs/dbraw/zinc/17/31/59/674173159.db2.gz DVBGSXSIIALPAC-CHWSQXEVSA-N -1 1 352.435 2.002 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000112707020 543459490 /nfs/dbraw/zinc/45/94/90/543459490.db2.gz IJOMCZHLJQBSBG-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000112849706 543464857 /nfs/dbraw/zinc/46/48/57/543464857.db2.gz ICEWVAKYZMMMQK-VIFPVBQESA-N -1 1 364.261 2.050 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ncc[nH]2)cc1 ZINC000114126001 543504503 /nfs/dbraw/zinc/50/45/03/543504503.db2.gz JQQDVWUGCYRMQU-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cc1ccc(OCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1C ZINC000114156132 543505475 /nfs/dbraw/zinc/50/54/75/543505475.db2.gz DVJZDNKFLSAYFW-UHFFFAOYSA-N -1 1 368.437 2.342 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCOc1ccccc1F ZINC000114181753 543506886 /nfs/dbraw/zinc/50/68/86/543506886.db2.gz MNBPMZCHCTZQAA-UHFFFAOYSA-N -1 1 372.400 2.254 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000114413400 543514665 /nfs/dbraw/zinc/51/46/65/543514665.db2.gz RKLQCTKNNLVSIX-UHFFFAOYSA-N -1 1 370.384 2.058 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c[nH]1 ZINC000115869759 543591276 /nfs/dbraw/zinc/59/12/76/543591276.db2.gz LFRGDNUIQJGWRO-UHFFFAOYSA-N -1 1 363.164 2.415 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c(C)c1C ZINC000117227946 543624188 /nfs/dbraw/zinc/62/41/88/543624188.db2.gz GQXDZKMAGYPVPZ-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000116771216 543615013 /nfs/dbraw/zinc/61/50/13/543615013.db2.gz CFJOXTHXGMULJC-UHFFFAOYSA-N -1 1 357.435 2.458 20 0 FEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124281597 543811408 /nfs/dbraw/zinc/81/14/08/543811408.db2.gz OWQQAEZOJAZWKJ-NSHDSACASA-N -1 1 352.799 2.041 20 0 FEADMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000126109896 543918135 /nfs/dbraw/zinc/91/81/35/543918135.db2.gz ZNGUEKKPWUUOHA-UHFFFAOYSA-N -1 1 358.441 2.126 20 0 FEADMM O=C(Cc1ccccc1I)[N-]O[C@@H]1CCCCO1 ZINC000125745505 543899417 /nfs/dbraw/zinc/89/94/17/543899417.db2.gz QLXHEDZNXYGLKB-CYBMUJFWSA-N -1 1 361.179 2.408 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127163791 543976241 /nfs/dbraw/zinc/97/62/41/543976241.db2.gz LZZCGOHZBGZNBU-UHFFFAOYSA-N -1 1 354.819 2.056 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000126772271 543955760 /nfs/dbraw/zinc/95/57/60/543955760.db2.gz WXZKYBCMARESSL-OAHLLOKOSA-N -1 1 366.439 2.246 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1F ZINC000126883962 543961853 /nfs/dbraw/zinc/96/18/53/543961853.db2.gz FWCLSYOFTHIQQN-UHFFFAOYSA-N -1 1 355.391 2.252 20 0 FEADMM C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1=O ZINC000128121183 544034465 /nfs/dbraw/zinc/03/44/65/544034465.db2.gz XONUVRWOIGNWGF-GXSJLCMTSA-N -1 1 367.331 2.372 20 0 FEADMM O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129285995 544102802 /nfs/dbraw/zinc/10/28/02/544102802.db2.gz KEPANOCAYMSCHI-SECBINFHSA-N -1 1 356.213 2.292 20 0 FEADMM O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129344956 544106803 /nfs/dbraw/zinc/10/68/03/544106803.db2.gz NEVZIVOPKVKUAD-LLVKDONJSA-N -1 1 358.402 2.482 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)NCc2nc3cccc(C)c3[nH]2)s1 ZINC000130076272 544138118 /nfs/dbraw/zinc/13/81/18/544138118.db2.gz SCFHZPYUNBJOJX-UHFFFAOYSA-N -1 1 365.436 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2O)co1 ZINC000130892963 544169627 /nfs/dbraw/zinc/16/96/27/544169627.db2.gz KEMYICOGUVHWDE-UHFFFAOYSA-N -1 1 364.301 2.164 20 0 FEADMM Cc1noc(C)c1C[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000130230288 544143445 /nfs/dbraw/zinc/14/34/45/544143445.db2.gz AGLFJUWTJXNICD-SNVBAGLBSA-N -1 1 371.441 2.337 20 0 FEADMM COC[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000130273868 544145325 /nfs/dbraw/zinc/14/53/25/544145325.db2.gz DMPWQOYSFDMDFS-QMMMGPOBSA-N -1 1 362.662 2.323 20 0 FEADMM CC(C)c1ccc([C@@H](C)CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000130697032 544161368 /nfs/dbraw/zinc/16/13/68/544161368.db2.gz RPALCYWGSYAXBM-NSHDSACASA-N -1 1 350.444 2.464 20 0 FEADMM CC(C)c1ccc([C@@H](C)CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000130697032 544161369 /nfs/dbraw/zinc/16/13/69/544161369.db2.gz RPALCYWGSYAXBM-NSHDSACASA-N -1 1 350.444 2.464 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccn1)c1nc(-c2cccnc2)no1 ZINC000131620451 544198166 /nfs/dbraw/zinc/19/81/66/544198166.db2.gz RETXDOJSOMRPSP-CQSZACIVSA-N -1 1 359.411 2.202 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4ccc(O)cc4)CC3)cnc2n1 ZINC000131755593 544205067 /nfs/dbraw/zinc/20/50/67/544205067.db2.gz WSVLPRSTYPSXFJ-UHFFFAOYSA-N -1 1 364.405 2.312 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(c4ccc(O)cc4)CC3)c[n-]c2n1 ZINC000131755593 544205069 /nfs/dbraw/zinc/20/50/69/544205069.db2.gz WSVLPRSTYPSXFJ-UHFFFAOYSA-N -1 1 364.405 2.312 20 0 FEADMM CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000132724078 544241930 /nfs/dbraw/zinc/24/19/30/544241930.db2.gz FNEOJWJKHZOEFF-HNNXBMFYSA-N -1 1 365.437 2.415 20 0 FEADMM O=C(NC[C@@H]1CCCO1)c1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000133397661 544268240 /nfs/dbraw/zinc/26/82/40/544268240.db2.gz KUDNOVUKJAYURM-HNNXBMFYSA-N -1 1 372.396 2.370 20 0 FEADMM CC[C@H](CCO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000152078995 544612039 /nfs/dbraw/zinc/61/20/39/544612039.db2.gz OEPGAUZLVWTGSK-OAHLLOKOSA-N -1 1 362.451 2.378 20 0 FEADMM CC[C@@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000152109449 544614062 /nfs/dbraw/zinc/61/40/62/544614062.db2.gz OOAZTMINJIQBEK-HNNXBMFYSA-N -1 1 362.451 2.378 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC000153122799 544736112 /nfs/dbraw/zinc/73/61/12/544736112.db2.gz MXKFQDDJSGWMGX-LBPRGKRZSA-N -1 1 372.450 2.171 20 0 FEADMM COc1cc(C(=O)N2CCN(c3nc(C)ns3)CC2)cc(Cl)c1[O-] ZINC000153895314 544837087 /nfs/dbraw/zinc/83/70/87/544837087.db2.gz MXOHLLTXHYEDMI-UHFFFAOYSA-N -1 1 368.846 2.177 20 0 FEADMM NC(=O)[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000154973599 544972348 /nfs/dbraw/zinc/97/23/48/544972348.db2.gz YEFDPTTYDIJHPY-ZDUSSCGKSA-N -1 1 367.174 2.250 20 0 FEADMM CCOC1CC(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000802941927 674210329 /nfs/dbraw/zinc/21/03/29/674210329.db2.gz GWVLQACAVOCJBT-UHFFFAOYSA-N -1 1 359.444 2.328 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000181461115 327731694 /nfs/dbraw/zinc/73/16/94/327731694.db2.gz YKLKHEUPXLXEKS-SNVBAGLBSA-N -1 1 350.296 2.345 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)o1 ZINC000183026291 327798094 /nfs/dbraw/zinc/79/80/94/327798094.db2.gz BSDBEMMDGSXQGT-SECBINFHSA-N -1 1 356.366 2.285 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1Cl ZINC000184979223 327893121 /nfs/dbraw/zinc/89/31/21/327893121.db2.gz IERARFMCMBTDIW-CYBMUJFWSA-N -1 1 372.874 2.205 20 0 FEADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000185619774 327925125 /nfs/dbraw/zinc/92/51/25/327925125.db2.gz AFDOYFPBKSJTHW-ZIAGYGMSSA-N -1 1 352.456 2.407 20 0 FEADMM CS(=O)(=O)CCCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000187452394 328026436 /nfs/dbraw/zinc/02/64/36/328026436.db2.gz BQZNQPAMWLJNMY-UHFFFAOYSA-N -1 1 364.261 2.099 20 0 FEADMM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188000692 328059384 /nfs/dbraw/zinc/05/93/84/328059384.db2.gz UAHAKLGWIOIYEY-YUMQZZPRSA-N -1 1 369.245 2.455 20 0 FEADMM CN(C)c1noc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000188050741 328062779 /nfs/dbraw/zinc/06/27/79/328062779.db2.gz FNKGZKHFAUFJSH-UHFFFAOYSA-N -1 1 372.859 2.482 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OC2COC2)cc1 ZINC000188121089 328067420 /nfs/dbraw/zinc/06/74/20/328067420.db2.gz NXFPCGHEFLQXKX-UHFFFAOYSA-N -1 1 357.410 2.406 20 0 FEADMM COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000188229665 328074686 /nfs/dbraw/zinc/07/46/86/328074686.db2.gz UCKWBBWGFUVCQE-WCQYABFASA-N -1 1 374.528 2.242 20 0 FEADMM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1sccc1Br ZINC000188922392 328117992 /nfs/dbraw/zinc/11/79/92/328117992.db2.gz MAGVORGSFSUXSW-SCZZXKLOSA-N -1 1 354.291 2.340 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cn2ccnc2s1 ZINC000189124357 328129845 /nfs/dbraw/zinc/12/98/45/328129845.db2.gz FRGPTRKCVQRENE-UHFFFAOYSA-N -1 1 354.388 2.159 20 0 FEADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1CO ZINC000189502376 328151899 /nfs/dbraw/zinc/15/18/99/328151899.db2.gz PLZJGVLYQJPZRR-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000190247356 328196435 /nfs/dbraw/zinc/19/64/35/328196435.db2.gz UYSJVDHCELNTBR-UHFFFAOYSA-N -1 1 372.468 2.434 20 0 FEADMM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190858413 328236603 /nfs/dbraw/zinc/23/66/03/328236603.db2.gz WXFFUTHWWITLNK-RXMQYKEDSA-N -1 1 374.615 2.081 20 0 FEADMM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)NC1CC1 ZINC000191892098 328287269 /nfs/dbraw/zinc/28/72/69/328287269.db2.gz ZFKKTZIMCXNATC-UHFFFAOYSA-N -1 1 369.245 2.470 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1ccc(Cl)c(Br)c1 ZINC000192230174 328308017 /nfs/dbraw/zinc/30/80/17/328308017.db2.gz BVODAEAOKJYWSY-UHFFFAOYSA-N -1 1 364.595 2.008 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c1Cl ZINC000192266739 328310072 /nfs/dbraw/zinc/31/00/72/328310072.db2.gz APVDPAJSKKGJLD-STQMWFEESA-N -1 1 355.847 2.130 20 0 FEADMM COc1ccc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)c(OC)c1 ZINC000192751191 328337201 /nfs/dbraw/zinc/33/72/01/328337201.db2.gz HCBGDWSCGKFHMC-UHFFFAOYSA-N -1 1 353.378 2.213 20 0 FEADMM Cc1c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cnn1C1CCCC1 ZINC000192988913 328350784 /nfs/dbraw/zinc/35/07/84/328350784.db2.gz CZAXSDRDENDQPK-UHFFFAOYSA-N -1 1 368.397 2.204 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193163204 328360340 /nfs/dbraw/zinc/36/03/40/328360340.db2.gz GMMRLZSLPOJWKM-CYBMUJFWSA-N -1 1 368.437 2.232 20 0 FEADMM O=C(NCc1nccs1)c1cc(I)ccc1[O-] ZINC000193692632 328389819 /nfs/dbraw/zinc/38/98/19/328389819.db2.gz ITJMKTMIMABTDP-UHFFFAOYSA-N -1 1 360.176 2.383 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000016101066 324384842 /nfs/dbraw/zinc/38/48/42/324384842.db2.gz XEZUTHIPILLJDI-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)[O-] ZINC000020001229 324391813 /nfs/dbraw/zinc/39/18/13/324391813.db2.gz IDPJCOSCCXKSPW-UHFFFAOYSA-N -1 1 359.201 2.287 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1 ZINC000022737851 324400953 /nfs/dbraw/zinc/40/09/53/324400953.db2.gz VRPLNWBCTOPQGF-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1)C1CC1 ZINC000044668005 324564085 /nfs/dbraw/zinc/56/40/85/324564085.db2.gz OUYCLOZKONBYJW-UHFFFAOYSA-N -1 1 372.406 2.006 20 0 FEADMM CN(Cc1cnn(C)c1)C(=O)c1ccc(I)c([O-])c1 ZINC000230888740 328487088 /nfs/dbraw/zinc/48/70/88/328487088.db2.gz JXPOFCTYXJOZNI-UHFFFAOYSA-N -1 1 371.178 2.003 20 0 FEADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000076936252 324970555 /nfs/dbraw/zinc/97/05/55/324970555.db2.gz LPBMYPUIZLVQOO-MRXNPFEDSA-N -1 1 354.472 2.383 20 0 FEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000078677165 325057525 /nfs/dbraw/zinc/05/75/25/325057525.db2.gz FJNYKBVMPQBXDB-UHFFFAOYSA-N -1 1 350.421 2.372 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cccn2)cc1 ZINC000078975978 325070426 /nfs/dbraw/zinc/07/04/26/325070426.db2.gz QICPGFJKUZWUQJ-UHFFFAOYSA-N -1 1 357.391 2.300 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(N(C)C)cc1 ZINC000079448522 325090730 /nfs/dbraw/zinc/09/07/30/325090730.db2.gz STVOPVKJADSZRM-UHFFFAOYSA-N -1 1 363.421 2.388 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)NC)c2)c1 ZINC000080937867 325149410 /nfs/dbraw/zinc/14/94/10/325149410.db2.gz LPJOQWIYHOTOJH-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM CCc1cnc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000081206796 325163598 /nfs/dbraw/zinc/16/35/98/325163598.db2.gz VIJOSUSMHNHULE-UHFFFAOYSA-N -1 1 359.455 2.320 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)C[C@@H](C)O2 ZINC000081389157 325172587 /nfs/dbraw/zinc/17/25/87/325172587.db2.gz YCKBKFYCHFBARC-GFCCVEGCSA-N -1 1 366.421 2.304 20 0 FEADMM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc4ccccc4o3)C2)cn1 ZINC000084938909 325247231 /nfs/dbraw/zinc/24/72/31/325247231.db2.gz WOCSZJXEQFNBGH-CQSZACIVSA-N -1 1 360.439 2.114 20 0 FEADMM C[C@](NC(=O)c1ccc(Br)cc1[O-])(C(N)=O)c1ccccc1 ZINC000094075140 325452882 /nfs/dbraw/zinc/45/28/82/325452882.db2.gz KOFBDUKUMZXKEZ-MRXNPFEDSA-N -1 1 363.211 2.285 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCc2c1cccc2F ZINC000104863698 325548806 /nfs/dbraw/zinc/54/88/06/325548806.db2.gz ZPLKZMOVTGCOLK-MRXNPFEDSA-N -1 1 354.385 2.125 20 0 FEADMM CCC[C@@H](NC(=O)c1cncc([O-])c1)C(=O)N1CCc2sccc2C1 ZINC000111596984 325726790 /nfs/dbraw/zinc/72/67/90/325726790.db2.gz NYEBMMHIRHXQOU-OAHLLOKOSA-N -1 1 359.451 2.332 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000118377405 326089747 /nfs/dbraw/zinc/08/97/47/326089747.db2.gz KHLFQBGYXQJIPT-KGLIPLIRSA-N -1 1 372.494 2.425 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000118377436 326089842 /nfs/dbraw/zinc/08/98/42/326089842.db2.gz GDGAAWITZXZYMZ-STQMWFEESA-N -1 1 358.467 2.035 20 0 FEADMM Cc1nc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)no1 ZINC000118645513 326095644 /nfs/dbraw/zinc/09/56/44/326095644.db2.gz VJFKETUDXGVRMO-UHFFFAOYSA-N -1 1 372.406 2.109 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c2=O ZINC000119169321 326133828 /nfs/dbraw/zinc/13/38/28/326133828.db2.gz SIXGCBODYYQVJS-HOTGVXAUSA-N -1 1 370.384 2.463 20 0 FEADMM Cc1nonc1[N-]C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000119626822 326182367 /nfs/dbraw/zinc/18/23/67/326182367.db2.gz GVEZXQRFBBVLBO-UHFFFAOYSA-N -1 1 359.411 2.437 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)O)cc2)cc1C ZINC000120641848 326275422 /nfs/dbraw/zinc/27/54/22/326275422.db2.gz QUUMJCHIJVATQF-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000120814667 326290147 /nfs/dbraw/zinc/29/01/47/326290147.db2.gz IXIPFKKNMXTVIL-CHWSQXEVSA-N -1 1 372.375 2.338 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(O)CC3)c2)c1 ZINC000121398497 326336096 /nfs/dbraw/zinc/33/60/96/326336096.db2.gz OVXNHBLNCMLSON-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(CN1CCC(NC(=O)c2c([O-])cccc2F)CC1)Nc1ccccc1 ZINC000121580005 326349362 /nfs/dbraw/zinc/34/93/62/326349362.db2.gz LDVUUJLOGWABGI-UHFFFAOYSA-N -1 1 371.412 2.364 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-n3cncn3)c(F)c2)c1 ZINC000121895137 326374609 /nfs/dbraw/zinc/37/46/09/326374609.db2.gz XNORUHPZSLABDD-UHFFFAOYSA-N -1 1 355.329 2.323 20 0 FEADMM O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000122038626 326381668 /nfs/dbraw/zinc/38/16/68/326381668.db2.gz MZDYLGXVRZFZHG-GFCCVEGCSA-N -1 1 361.423 2.078 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)co1 ZINC000125936677 326480461 /nfs/dbraw/zinc/48/04/61/326480461.db2.gz DPCYSUDAQHDJNS-UHFFFAOYSA-N -1 1 366.414 2.179 20 0 FEADMM Cn1ncnc1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000126967950 326498095 /nfs/dbraw/zinc/49/80/95/326498095.db2.gz TVPZHQAHUOAHBH-UHFFFAOYSA-N -1 1 356.354 2.146 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2csc(C(C)(C)C)n2)c1 ZINC000130198251 326552770 /nfs/dbraw/zinc/55/27/70/326552770.db2.gz ACFADEUEGMRJGL-UHFFFAOYSA-N -1 1 372.468 2.341 20 0 FEADMM O=C(NCCCOC[C@@H]1CCCO1)c1ccc(Br)c([O-])c1 ZINC000132891851 326599592 /nfs/dbraw/zinc/59/95/92/326599592.db2.gz YNIWDUAZWGQYEW-LBPRGKRZSA-N -1 1 358.232 2.470 20 0 FEADMM O=c1[nH]c2ccccc2n1CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132998695 326601316 /nfs/dbraw/zinc/60/13/16/326601316.db2.gz 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CCOc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000274052031 329911386 /nfs/dbraw/zinc/91/13/86/329911386.db2.gz HEFQYJMRUKTFQF-LLVKDONJSA-N -1 1 361.847 2.094 20 0 FEADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000276349416 330143716 /nfs/dbraw/zinc/14/37/16/330143716.db2.gz NOFQGILRMYWJBZ-VIFPVBQESA-N -1 1 358.423 2.278 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000299696111 330199325 /nfs/dbraw/zinc/19/93/25/330199325.db2.gz YCRYRZMWKRLATF-UHFFFAOYSA-N -1 1 368.441 2.114 20 0 FEADMM CC(C)(C)Oc1cccc(CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC000367110026 330217987 /nfs/dbraw/zinc/21/79/87/330217987.db2.gz LFHSHEMQCJCYLE-ZDUSSCGKSA-N -1 1 358.446 2.111 20 0 FEADMM CO[C@@H](C)c1nc(=NCCN2CCN(C)C[C@@H]2c2ccccc2)s[n-]1 ZINC000367177879 330226469 /nfs/dbraw/zinc/22/64/69/330226469.db2.gz DVCNROPFYHUDET-GOEBONIOSA-N -1 1 361.515 2.068 20 0 FEADMM COc1ccc(NC(=O)N2CC(C3CCC3)C2)cc1[N-]S(C)(=O)=O ZINC000554480371 674319208 /nfs/dbraw/zinc/31/92/08/674319208.db2.gz DGZRJSMTYOCWGI-UHFFFAOYSA-N -1 1 353.444 2.331 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)CC(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805127361 674321163 /nfs/dbraw/zinc/32/11/63/674321163.db2.gz YSUOLSIFSJWQSU-DCAQKATOSA-N -1 1 358.426 2.140 20 0 FEADMM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000805144205 674323300 /nfs/dbraw/zinc/32/33/00/674323300.db2.gz WTDNDGJPXOTGJF-LLVKDONJSA-N -1 1 373.830 2.210 20 0 FEADMM O=C(NC[C@@H](O)C(F)F)c1c([O-])cnc2c(Br)cccc21 ZINC000555098492 674347797 /nfs/dbraw/zinc/34/77/97/674347797.db2.gz GVTJBWRNRVWESW-SECBINFHSA-N -1 1 361.142 2.059 20 0 FEADMM C[C@H]1CCN(C[C@H](O)CC(F)(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789054 674354200 /nfs/dbraw/zinc/35/42/00/674354200.db2.gz UITGCXHQXBPVAI-QEYWKRMJSA-N -1 1 350.303 2.077 20 0 FEADMM O=C([N-]c1n[nH]c(SCCO)n1)c1ncoc1-c1ccccc1Cl ZINC000155355188 545516700 /nfs/dbraw/zinc/51/67/00/545516700.db2.gz DRZNNLQLFFQUCC-UHFFFAOYSA-N -1 1 365.802 2.450 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1C(F)F ZINC000155527176 545537720 /nfs/dbraw/zinc/53/77/20/545537720.db2.gz HHZQKTCMHOPUNW-JTQLQIEISA-N -1 1 353.377 2.010 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1Br ZINC000480023440 538845064 /nfs/dbraw/zinc/84/50/64/538845064.db2.gz YWOZTBQTRBNUSD-MRVPVSSYSA-N -1 1 357.252 2.320 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2NC2CC2)co1 ZINC000156515167 545632267 /nfs/dbraw/zinc/63/22/67/545632267.db2.gz FOFIFSDGBZWGDI-UHFFFAOYSA-N -1 1 353.375 2.153 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1sc(-c2ccccc2)nc1C ZINC000477617740 561149594 /nfs/dbraw/zinc/14/95/94/561149594.db2.gz NDPRMSBJBSRUST-UHFFFAOYSA-N -1 1 372.406 2.258 20 0 FEADMM CCOc1ccccc1[C@H](CC(=O)Nc1nc(SC)n[nH]1)NC(C)=O ZINC000478090727 561159818 /nfs/dbraw/zinc/15/98/18/561159818.db2.gz ZNHGZPJVCUZVIE-LBPRGKRZSA-N -1 1 363.443 2.131 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)co1 ZINC000158824556 545897777 /nfs/dbraw/zinc/89/77/77/545897777.db2.gz BTDWBLXKTJBAEI-UHFFFAOYSA-N -1 1 362.329 2.137 20 0 FEADMM COC[C@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000479138728 561182585 /nfs/dbraw/zinc/18/25/85/561182585.db2.gz HQXZUKABCKSGFD-ZDUSSCGKSA-N -1 1 363.361 2.118 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(COC)c2)o1 ZINC000479204123 561184523 /nfs/dbraw/zinc/18/45/23/561184523.db2.gz JQGXSQQAZGMYNW-UHFFFAOYSA-N -1 1 371.386 2.220 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-c3nncn3C)cc1)OCO2 ZINC000479273168 561186439 /nfs/dbraw/zinc/18/64/39/561186439.db2.gz SMJZPNNPMVGQOV-UHFFFAOYSA-N -1 1 372.406 2.320 20 0 FEADMM O=S(=O)(Cc1nccn1C(F)F)c1n[n-]c(CCC2CCCC2)n1 ZINC000171770153 546224202 /nfs/dbraw/zinc/22/42/02/546224202.db2.gz ISFJGTJOVZMEOX-UHFFFAOYSA-N -1 1 359.402 2.493 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)F)sc1C ZINC000479360571 561188161 /nfs/dbraw/zinc/18/81/61/561188161.db2.gz GRYJZFROMGDUNF-UHFFFAOYSA-N -1 1 363.411 2.277 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000479558013 561191876 /nfs/dbraw/zinc/19/18/76/561191876.db2.gz ZRHYGRHTKQZUOY-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1F ZINC000479557772 561191894 /nfs/dbraw/zinc/19/18/94/561191894.db2.gz MLJZRKTXBWJJBW-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)c1 ZINC000480038062 561201694 /nfs/dbraw/zinc/20/16/94/561201694.db2.gz AXYXYPJZUVJYGD-ZDUSSCGKSA-N -1 1 369.370 2.398 20 0 FEADMM C[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1nnc[nH]1 ZINC000176197071 546418847 /nfs/dbraw/zinc/41/88/47/546418847.db2.gz JQOWSWDESSMHKE-MRVPVSSYSA-N -1 1 366.303 2.206 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)ccc1F ZINC000176421335 546443747 /nfs/dbraw/zinc/44/37/47/546443747.db2.gz PIOJGUXUXHUQEV-UHFFFAOYSA-N -1 1 366.418 2.042 20 0 FEADMM CCC[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)c1nn[n-]n1 ZINC000176792427 546488482 /nfs/dbraw/zinc/48/84/82/546488482.db2.gz KQGVCCYZPRVYDO-NSHDSACASA-N -1 1 360.809 2.013 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2OC)o1 ZINC000480709759 561214942 /nfs/dbraw/zinc/21/49/42/561214942.db2.gz NNMCAQXBABWBQN-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)c(F)c1 ZINC000480879462 561219195 /nfs/dbraw/zinc/21/91/95/561219195.db2.gz OKIYTMALWPLPCJ-INIZCTEOSA-N -1 1 366.389 2.108 20 0 FEADMM CCS[C@@H]1CCC[C@H]1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000178075355 546734113 /nfs/dbraw/zinc/73/41/13/546734113.db2.gz XAYOXNLYFOQILM-HZPDHXFCSA-N -1 1 372.494 2.473 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000178111118 546740892 /nfs/dbraw/zinc/74/08/92/546740892.db2.gz QMCYCCPODUOPFP-YGCGCYASSA-N -1 1 367.515 2.185 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c(C)c1 ZINC000178144657 546746288 /nfs/dbraw/zinc/74/62/88/546746288.db2.gz AVNGHYBBTJHLSO-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM Cn1cnc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000178719971 546838014 /nfs/dbraw/zinc/83/80/14/546838014.db2.gz SDNHSFBVAZIERJ-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000481601521 561237081 /nfs/dbraw/zinc/23/70/81/561237081.db2.gz CRGSVRYRDFIMID-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)C12CCCC2 ZINC000179514021 546970127 /nfs/dbraw/zinc/97/01/27/546970127.db2.gz VSNMYDZKZDOMAX-HUUCEWRRSA-N -1 1 358.442 2.484 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000179537507 546973633 /nfs/dbraw/zinc/97/36/33/546973633.db2.gz GGQINUGOXBVLFG-UHFFFAOYSA-N -1 1 364.398 2.239 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000179541363 546974536 /nfs/dbraw/zinc/97/45/36/546974536.db2.gz ZVYHLJFKZUMAKB-QWHCGFSZSA-N -1 1 366.826 2.435 20 0 FEADMM CS(=O)(=O)CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000180779755 547178819 /nfs/dbraw/zinc/17/88/19/547178819.db2.gz JCIXRTKAUXTZCI-UHFFFAOYSA-N -1 1 351.346 2.060 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-c2ccccc2)o1 ZINC000483245838 561271668 /nfs/dbraw/zinc/27/16/68/561271668.db2.gz MTBPVEPNLBXEBA-UHFFFAOYSA-N -1 1 351.362 2.093 20 0 FEADMM Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000181790803 547381392 /nfs/dbraw/zinc/38/13/92/547381392.db2.gz QAUIBAYKRXCLCO-UHFFFAOYSA-N -1 1 360.395 2.018 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000182159601 547446034 /nfs/dbraw/zinc/44/60/34/547446034.db2.gz OXYXVWJTCVFCIS-MRXNPFEDSA-N -1 1 369.465 2.460 20 0 FEADMM CC[C@](C)(CO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183331398 547639287 /nfs/dbraw/zinc/63/92/87/547639287.db2.gz JFEIQPOBMFURKQ-GOSISDBHSA-N -1 1 362.451 2.378 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1ncc(-c2ccccc2F)o1)c1nn[n-]n1 ZINC000183449507 547661731 /nfs/dbraw/zinc/66/17/31/547661731.db2.gz LOIUKUGVOVIVCG-LLVKDONJSA-N -1 1 358.377 2.189 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000484639160 561301960 /nfs/dbraw/zinc/30/19/60/561301960.db2.gz CYSFXHVUPNQDMF-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000184268379 547797254 /nfs/dbraw/zinc/79/72/54/547797254.db2.gz UBOCXIHUUXMMGB-AWEZNQCLSA-N -1 1 365.437 2.415 20 0 FEADMM CCS(=O)(=O)NCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185055002 547924666 /nfs/dbraw/zinc/92/46/66/547924666.db2.gz FZTBRQXYPYNZMW-UHFFFAOYSA-N -1 1 367.496 2.167 20 0 FEADMM CCn1cc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cn1 ZINC000185053109 547924782 /nfs/dbraw/zinc/92/47/82/547924782.db2.gz BABPLABLXREBGX-UHFFFAOYSA-N -1 1 355.354 2.410 20 0 FEADMM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485274205 561316086 /nfs/dbraw/zinc/31/60/86/561316086.db2.gz LQFQMUZCYDGQBL-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)co1 ZINC000185205995 547951840 /nfs/dbraw/zinc/95/18/40/547951840.db2.gz UWUWBUJNLRBOMF-CQSZACIVSA-N -1 1 362.451 2.434 20 0 FEADMM Cc1c2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)cc2nn1C ZINC000485456251 561319585 /nfs/dbraw/zinc/31/95/85/561319585.db2.gz RENWXMUFQHFOKJ-UHFFFAOYSA-N -1 1 364.365 2.192 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)Cc2noc3ccccc32)CCN1c1ccccc1 ZINC000185777602 548033860 /nfs/dbraw/zinc/03/38/60/548033860.db2.gz XFBMDIWHRIJBRA-HNNXBMFYSA-N -1 1 371.418 2.053 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2ncsc2c1 ZINC000485628371 561324317 /nfs/dbraw/zinc/32/43/17/561324317.db2.gz OBESGLXBXBRENH-JTQLQIEISA-N -1 1 356.407 2.004 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1 ZINC000485912130 561332122 /nfs/dbraw/zinc/33/21/22/561332122.db2.gz GYNKGACPVSNTTK-UHFFFAOYSA-N -1 1 372.493 2.117 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1 ZINC000486527250 561349925 /nfs/dbraw/zinc/34/99/25/561349925.db2.gz MCUJZPDCQXGGNX-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM O=S(=O)(Cc1ccon1)c1nc(-c2ccccc2Br)n[n-]1 ZINC000195110601 548578383 /nfs/dbraw/zinc/57/83/83/548578383.db2.gz MEWTZTVWLGAMSA-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM O=S(=O)(Cc1ccon1)c1n[n-]c(-c2ccccc2Br)n1 ZINC000195110601 548578385 /nfs/dbraw/zinc/57/83/85/548578385.db2.gz MEWTZTVWLGAMSA-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM Cc1ncsc1CCS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195128410 548581521 /nfs/dbraw/zinc/58/15/21/548581521.db2.gz FAMGJFLJHGYFSH-UHFFFAOYSA-N -1 1 352.416 2.392 20 0 FEADMM Cc1ncsc1CCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195128410 548581524 /nfs/dbraw/zinc/58/15/24/548581524.db2.gz FAMGJFLJHGYFSH-UHFFFAOYSA-N -1 1 352.416 2.392 20 0 FEADMM O=S(=O)(CCCOCC(F)(F)F)c1nnc(Cc2cccs2)[n-]1 ZINC000195157124 548585652 /nfs/dbraw/zinc/58/56/52/548585652.db2.gz REDPYZGUWBXAEY-UHFFFAOYSA-N -1 1 369.390 2.200 20 0 FEADMM O=S(=O)(CCCOCC(F)(F)F)c1nc(Cc2cccs2)n[n-]1 ZINC000195157124 548585655 /nfs/dbraw/zinc/58/56/55/548585655.db2.gz REDPYZGUWBXAEY-UHFFFAOYSA-N -1 1 369.390 2.200 20 0 FEADMM O=S(=O)(CCCOCC(F)(F)F)c1n[n-]c(Cc2cccs2)n1 ZINC000195157124 548585657 /nfs/dbraw/zinc/58/56/57/548585657.db2.gz REDPYZGUWBXAEY-UHFFFAOYSA-N -1 1 369.390 2.200 20 0 FEADMM C[C@@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195169004 548589106 /nfs/dbraw/zinc/58/91/06/548589106.db2.gz NYRGWWURMNQEEJ-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195169004 548589110 /nfs/dbraw/zinc/58/91/10/548589110.db2.gz NYRGWWURMNQEEJ-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195169004 548589112 /nfs/dbraw/zinc/58/91/12/548589112.db2.gz NYRGWWURMNQEEJ-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM CCc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)n1 ZINC000195211504 548597170 /nfs/dbraw/zinc/59/71/70/548597170.db2.gz QPMKHLAAKPBGKB-SNVBAGLBSA-N -1 1 373.438 2.441 20 0 FEADMM CCc1noc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000195211504 548597174 /nfs/dbraw/zinc/59/71/74/548597174.db2.gz QPMKHLAAKPBGKB-SNVBAGLBSA-N -1 1 373.438 2.441 20 0 FEADMM O=S(=O)([N-]c1ccn(Cc2ccncc2)n1)N1CCc2ccccc2C1 ZINC000487283797 561367073 /nfs/dbraw/zinc/36/70/73/561367073.db2.gz CKMDBKPUFLYPNA-UHFFFAOYSA-N -1 1 369.450 2.041 20 0 FEADMM O=C(NC[C@H]1CCSC1)c1cc(I)ccc1[O-] ZINC000229695484 548757217 /nfs/dbraw/zinc/75/72/17/548757217.db2.gz XHKRQPOYIBRYFG-MRVPVSSYSA-N -1 1 363.220 2.480 20 0 FEADMM CCn1cc(NC(=O)c2ccc(I)c([O-])c2)cn1 ZINC000230888857 548760899 /nfs/dbraw/zinc/76/08/99/548760899.db2.gz YEFOQLIKPOLDLJ-UHFFFAOYSA-N -1 1 357.151 2.466 20 0 FEADMM CS[C@@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230903710 548762476 /nfs/dbraw/zinc/76/24/76/548762476.db2.gz JOPNUILASZSZOU-ZETCQYMHSA-N -1 1 351.209 2.478 20 0 FEADMM CO[C@@H]1CC[C@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000231805696 548763822 /nfs/dbraw/zinc/76/38/22/548763822.db2.gz ILXAZBSXBFPKSI-VHSXEESVSA-N -1 1 361.179 2.294 20 0 FEADMM Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2csc(C(=O)[O-])c2)o1 ZINC000237152490 548804043 /nfs/dbraw/zinc/80/40/43/548804043.db2.gz UKKCYIZEUYTHPV-UHFFFAOYSA-N -1 1 372.468 2.100 20 0 FEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487774114 561375521 /nfs/dbraw/zinc/37/55/21/561375521.db2.gz QVAQTDHWLONDSS-WFASDCNBSA-N -1 1 357.385 2.266 20 0 FEADMM COCCc1nnc(-c2cccc(C(=O)Nc3nc(SC)n[nH]3)c2)o1 ZINC000488440379 561389952 /nfs/dbraw/zinc/38/99/52/561389952.db2.gz MBSMBXVWABEPLC-UHFFFAOYSA-N -1 1 360.399 2.018 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000248431552 549435123 /nfs/dbraw/zinc/43/51/23/549435123.db2.gz UBJGFUATLIEZQK-JIMOISOXSA-N -1 1 364.247 2.328 20 0 FEADMM COc1ccc(-n2c(SCc3nn[n-]n3)nnc2-c2ccco2)cc1 ZINC000489442434 561411538 /nfs/dbraw/zinc/41/15/38/561411538.db2.gz HFBKNHDZMNBQKU-UHFFFAOYSA-N -1 1 355.383 2.341 20 0 FEADMM O=C([O-])CS(=O)(=O)CCN(CCc1cccc(F)c1)C1CCCC1 ZINC000262255168 549803173 /nfs/dbraw/zinc/80/31/73/549803173.db2.gz DTFZLPNITJKJNA-UHFFFAOYSA-N -1 1 357.447 2.112 20 0 FEADMM O=C([O-])CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292422 549807033 /nfs/dbraw/zinc/80/70/33/549807033.db2.gz HRTXGNCOYDDGCR-OLZOCXBDSA-N -1 1 362.323 2.137 20 0 FEADMM O=C([O-])[C@@H]1CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000262673830 549837496 /nfs/dbraw/zinc/83/74/96/549837496.db2.gz QIYFMNLDYLHZNX-BXUZGUMPSA-N -1 1 372.343 2.487 20 0 FEADMM CN(CCCNC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000263119750 549879202 /nfs/dbraw/zinc/87/92/02/549879202.db2.gz LXBJPZYBDQHZDM-KRWDZBQOSA-N -1 1 361.486 2.206 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000263217888 549886357 /nfs/dbraw/zinc/88/63/57/549886357.db2.gz OKHQIGXCZSZRCD-RKDXNWHRSA-N -1 1 367.345 2.142 20 0 FEADMM C[N@@H+](CCNC(=O)NCc1ccc(C(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000263237254 549888032 /nfs/dbraw/zinc/88/80/32/549888032.db2.gz NGZDTLIBVGOZDL-UHFFFAOYSA-N -1 1 359.401 2.455 20 0 FEADMM CN(CCNC(=O)NCc1ccc(C(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000263237254 549888035 /nfs/dbraw/zinc/88/80/35/549888035.db2.gz NGZDTLIBVGOZDL-UHFFFAOYSA-N -1 1 359.401 2.455 20 0 FEADMM CC(=O)NCCN(Cc1ccc(-c2ccncc2)cc1F)[C@H](C)C(=O)[O-] ZINC000263407693 549899971 /nfs/dbraw/zinc/89/99/71/549899971.db2.gz KIMVSUUFJWECDC-CYBMUJFWSA-N -1 1 359.401 2.299 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000263858908 549946939 /nfs/dbraw/zinc/94/69/39/549946939.db2.gz RRXWZSJCBTVEQJ-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM COc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1[N-]S(C)(=O)=O ZINC000268254156 550040597 /nfs/dbraw/zinc/04/05/97/550040597.db2.gz TYFVTPXTNMNPBE-TXEJJXNPSA-N -1 1 353.444 2.331 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCOc1ncccc1Cl ZINC000268578892 550089630 /nfs/dbraw/zinc/08/96/30/550089630.db2.gz SRSBOCYRHWFQAF-UHFFFAOYSA-N -1 1 354.819 2.070 20 0 FEADMM CC1(C)CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H]1c1ccccc1 ZINC000492692585 561452352 /nfs/dbraw/zinc/45/23/52/561452352.db2.gz REENIWJVEJYKMF-OAHLLOKOSA-N -1 1 353.422 2.169 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000270119960 550250384 /nfs/dbraw/zinc/25/03/84/550250384.db2.gz QYAXNMBUJVAIBC-NVXWUHKLSA-N -1 1 370.453 2.105 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cc1 ZINC000271430248 550374977 /nfs/dbraw/zinc/37/49/77/550374977.db2.gz NYGZWSQBTADELS-UHFFFAOYSA-N -1 1 363.439 2.371 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000271816797 550404001 /nfs/dbraw/zinc/40/40/01/550404001.db2.gz FVAYRZSGLQFJMC-QGZVFWFLSA-N -1 1 370.453 2.008 20 0 FEADMM N=c1nc(N2CCN(C(=O)NCc3ccc4ccccc4c3)CC2)s[n-]1 ZINC000494417256 561469344 /nfs/dbraw/zinc/46/93/44/561469344.db2.gz LPRNLVMPPOHTJQ-UHFFFAOYSA-N -1 1 368.466 2.305 20 0 FEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)NC3CC3)c1)OCO2 ZINC000272612086 550460682 /nfs/dbraw/zinc/46/06/82/550460682.db2.gz HRQDHRNKXSKQHA-UHFFFAOYSA-N -1 1 374.418 2.417 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C(=O)OC)C1 ZINC000272645028 550462631 /nfs/dbraw/zinc/46/26/31/550462631.db2.gz GFNOFTXKMGIXAQ-ZBFHGGJFSA-N -1 1 371.389 2.112 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000272860842 550473717 /nfs/dbraw/zinc/47/37/17/550473717.db2.gz QJAKJYGRTTWQMS-INIZCTEOSA-N -1 1 351.424 2.010 20 0 FEADMM Cc1cc(C(=O)Nc2ncn(C3CCCCC3)n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000273171798 550488172 /nfs/dbraw/zinc/48/81/72/550488172.db2.gz LZTDWKRRXBSAHV-UHFFFAOYSA-N -1 1 369.385 2.093 20 0 FEADMM Cc1cc(C(=O)Nc2ncn(C3CCCCC3)n2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000273171798 550488174 /nfs/dbraw/zinc/48/81/74/550488174.db2.gz LZTDWKRRXBSAHV-UHFFFAOYSA-N -1 1 369.385 2.093 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000273173166 550488260 /nfs/dbraw/zinc/48/82/60/550488260.db2.gz MKFFBCAPEXSANG-WFASDCNBSA-N -1 1 360.458 2.306 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccc(C)cc2)CC1 ZINC000273224128 550490126 /nfs/dbraw/zinc/49/01/26/550490126.db2.gz UGLUKBLYULERKL-UHFFFAOYSA-N -1 1 358.467 2.483 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000273800896 550511933 /nfs/dbraw/zinc/51/19/33/550511933.db2.gz SPRHSDQPCOQISF-LKFCYVNXSA-N -1 1 372.874 2.108 20 0 FEADMM O=C(CN1CCC(c2nnc3n2CCCC3)CC1)[N-]OCc1ccccc1 ZINC000274949519 550566740 /nfs/dbraw/zinc/56/67/40/550566740.db2.gz GRRYOSAGLMJINA-UHFFFAOYSA-N -1 1 369.469 2.042 20 0 FEADMM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H](C)OC[C@H]2CCCO2)[nH]1 ZINC000276949965 550614489 /nfs/dbraw/zinc/61/44/89/550614489.db2.gz XBZMZPBSSNWJMI-QWHCGFSZSA-N -1 1 367.446 2.452 20 0 FEADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276950987 550614663 /nfs/dbraw/zinc/61/46/63/550614663.db2.gz OGBIGZZNEWPMND-ZDUSSCGKSA-N -1 1 358.398 2.432 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)n1 ZINC000277642179 550695841 /nfs/dbraw/zinc/69/58/41/550695841.db2.gz HRGAZBWGVDALIP-ZDUSSCGKSA-N -1 1 372.425 2.155 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000277666285 550698779 /nfs/dbraw/zinc/69/87/79/550698779.db2.gz JNJFFPCEFCMHFK-UHFFFAOYSA-N -1 1 360.389 2.069 20 0 FEADMM CCOC(=O)c1csc(C2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC000277671788 550699632 /nfs/dbraw/zinc/69/96/32/550699632.db2.gz WBWMSUDRHXDBEB-UHFFFAOYSA-N -1 1 361.423 2.440 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(C(C)C)on3)CC2)n1 ZINC000277846128 550720960 /nfs/dbraw/zinc/72/09/60/550720960.db2.gz XIVHTZGQGWMCRW-UHFFFAOYSA-N -1 1 361.402 2.113 20 0 FEADMM CC1(C)NC(=O)N(CCCc2nc(-c3ccc([O-])cc3Cl)no2)C1=O ZINC000278236025 550764018 /nfs/dbraw/zinc/76/40/18/550764018.db2.gz RZZSDWFNYJJVGB-UHFFFAOYSA-N -1 1 364.789 2.359 20 0 FEADMM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000278758443 550819062 /nfs/dbraw/zinc/81/90/62/550819062.db2.gz NWSOIVJYLPKQIC-PELKAZGASA-N -1 1 373.780 2.177 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(C)c(O)c3)CC2)n1 ZINC000278951910 550839650 /nfs/dbraw/zinc/83/96/50/550839650.db2.gz YVWMZLVGKQYLCL-UHFFFAOYSA-N -1 1 358.398 2.015 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1C[C@@H](C)O ZINC000279126306 550856983 /nfs/dbraw/zinc/85/69/83/550856983.db2.gz ATCSUKIZVREDSV-CZUORRHYSA-N -1 1 370.453 2.247 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1C[C@H](C)O ZINC000279612364 550908508 /nfs/dbraw/zinc/90/85/08/550908508.db2.gz HEYKDHYREWQALY-BBRMVZONSA-N -1 1 370.453 2.247 20 0 FEADMM CC(=O)N1CCC[C@H](CNC(=O)c2cc(Br)ccc2[O-])C1 ZINC000279760032 550925827 /nfs/dbraw/zinc/92/58/27/550925827.db2.gz FDMADVYGIGRSHE-LLVKDONJSA-N -1 1 355.232 2.143 20 0 FEADMM COc1ccc(NC(=O)C(C)(C)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000279870777 550937701 /nfs/dbraw/zinc/93/77/01/550937701.db2.gz AEFWJVGSULIMDT-UHFFFAOYSA-N -1 1 370.471 2.458 20 0 FEADMM COc1ccc([C@H]2[C@@H](C(=O)[N-]OCCSC)CCC(=O)N2C)cc1 ZINC000279878500 550938690 /nfs/dbraw/zinc/93/86/90/550938690.db2.gz DYHGXIPJDLQPDL-HOCLYGCPSA-N -1 1 352.456 2.016 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CO)CC1CCC1 ZINC000279910758 550942155 /nfs/dbraw/zinc/94/21/55/550942155.db2.gz FLOABWNTHFEVHX-INIZCTEOSA-N -1 1 370.453 2.153 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(C)cc1C ZINC000279931271 550944264 /nfs/dbraw/zinc/94/42/64/550944264.db2.gz LMNKZLIVYGRSHZ-UHFFFAOYSA-N -1 1 360.435 2.399 20 0 FEADMM C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(Br)cc1[O-])CCO2 ZINC000280107342 550961508 /nfs/dbraw/zinc/96/15/08/550961508.db2.gz RLVXNYJHSXOLNM-MEBBXXQBSA-N -1 1 356.216 2.175 20 0 FEADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(N)=O ZINC000280598088 551011840 /nfs/dbraw/zinc/01/18/40/551011840.db2.gz OWJJHEJUHQWOSO-SNVBAGLBSA-N -1 1 357.234 2.311 20 0 FEADMM Cc1cc(N2CCC(NC(=O)c3c(F)ccc([O-])c3F)CC2)nc(C)n1 ZINC000280931467 551046828 /nfs/dbraw/zinc/04/68/28/551046828.db2.gz HEXODZCTUJXWHW-UHFFFAOYSA-N -1 1 362.380 2.476 20 0 FEADMM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282666433 551257331 /nfs/dbraw/zinc/25/73/31/551257331.db2.gz OMHJKGHXUJQTGB-JTQLQIEISA-N -1 1 359.813 2.335 20 0 FEADMM O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282915721 551284889 /nfs/dbraw/zinc/28/48/89/551284889.db2.gz NFSMTCGDOISUAP-SNVBAGLBSA-N -1 1 355.225 2.354 20 0 FEADMM Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282927318 551286112 /nfs/dbraw/zinc/28/61/12/551286112.db2.gz OKWULSAHMIRWHY-NSHDSACASA-N -1 1 373.438 2.072 20 0 FEADMM C[C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)C1 ZINC000282957944 551289727 /nfs/dbraw/zinc/28/97/27/551289727.db2.gz IMWIHVNXNZQZEO-NSHDSACASA-N -1 1 353.382 2.415 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000283672344 551406860 /nfs/dbraw/zinc/40/68/60/551406860.db2.gz FGJWCTMUGPMWDT-AWEZNQCLSA-N -1 1 358.423 2.432 20 0 FEADMM CN(C(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)[C@@H]1CCCc2ccccc21 ZINC000284396822 551540914 /nfs/dbraw/zinc/54/09/14/551540914.db2.gz WCASBNGTDVGNJE-NVXWUHKLSA-N -1 1 370.453 2.078 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CC[C@]1(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)OCCc2ccccc21 ZINC000290375226 552469439 /nfs/dbraw/zinc/46/94/39/552469439.db2.gz MGWCUCXZESIQNY-JJWXFRNXSA-N -1 1 365.437 2.342 20 0 FEADMM O=C(COc1ccc(F)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290467907 552483584 /nfs/dbraw/zinc/48/35/84/552483584.db2.gz VVFHCUMJGRDOJJ-NSHDSACASA-N -1 1 362.323 2.122 20 0 FEADMM O=C(COc1ccc(F)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290467906 552483619 /nfs/dbraw/zinc/48/36/19/552483619.db2.gz VVFHCUMJGRDOJJ-LLVKDONJSA-N -1 1 362.323 2.122 20 0 FEADMM CCOC(=O)c1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nc1 ZINC000290617321 552507615 /nfs/dbraw/zinc/50/76/15/552507615.db2.gz GBQKRLNUDLOENL-NSHDSACASA-N -1 1 359.348 2.153 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccoc2)C1)C(F)(F)F ZINC000291033586 552578486 /nfs/dbraw/zinc/57/84/86/552578486.db2.gz FNGALZASEKIFON-SNVBAGLBSA-N -1 1 370.331 2.200 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)nc2C)c(C)cc1F ZINC000291874549 552670784 /nfs/dbraw/zinc/67/07/84/552670784.db2.gz MADZMRMTGAEWOJ-UHFFFAOYSA-N -1 1 368.386 2.434 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c(C)cc1F ZINC000291892488 552672253 /nfs/dbraw/zinc/67/22/53/552672253.db2.gz PBAYILYSAMFMIH-UHFFFAOYSA-N -1 1 368.390 2.107 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1nnn[n-]1 ZINC000292053210 552688800 /nfs/dbraw/zinc/68/88/00/552688800.db2.gz YSEUZCOCYPALDP-LBPRGKRZSA-N -1 1 360.418 2.430 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1nn[n-]n1 ZINC000292053210 552688802 /nfs/dbraw/zinc/68/88/02/552688802.db2.gz YSEUZCOCYPALDP-LBPRGKRZSA-N -1 1 360.418 2.430 20 0 FEADMM COc1ccc(NC(=O)CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cc1 ZINC000292141338 552697698 /nfs/dbraw/zinc/69/76/98/552697698.db2.gz MLNRGSHCHARUGK-BXUZGUMPSA-N -1 1 373.375 2.165 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccc(C)cc2)c1 ZINC000292336107 552716880 /nfs/dbraw/zinc/71/68/80/552716880.db2.gz VHAQVVAZJKTDTO-CYBMUJFWSA-N -1 1 362.451 2.426 20 0 FEADMM CC[C@@H]1[C@@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCN1C(=O)OC(C)(C)C ZINC000292416166 552724883 /nfs/dbraw/zinc/72/48/83/552724883.db2.gz SWKULVVICXCACJ-SWJHEHRMSA-N -1 1 373.457 2.316 20 0 FEADMM CCc1noc(C)c1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000293814443 552859004 /nfs/dbraw/zinc/85/90/04/552859004.db2.gz DZRQHRRQXSDDED-UHFFFAOYSA-N -1 1 350.444 2.320 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H](C)CO ZINC000293916881 552867813 /nfs/dbraw/zinc/86/78/13/552867813.db2.gz GMRXKRPKJOXYNY-AWEZNQCLSA-N -1 1 362.451 2.330 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c(C(F)(F)F)n1 ZINC000294069560 552879475 /nfs/dbraw/zinc/87/94/75/552879475.db2.gz NESCERMCRARCEA-UHFFFAOYSA-N -1 1 372.372 2.441 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ncn(-c2ccccc2)n1 ZINC000294074767 552879986 /nfs/dbraw/zinc/87/99/86/552879986.db2.gz HIBAMZSQFQKLCF-UHFFFAOYSA-N -1 1 366.425 2.299 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1ccccc1)C(F)F ZINC000294232566 552890054 /nfs/dbraw/zinc/89/00/54/552890054.db2.gz ZEDCKDVGXKOAFT-QGZVFWFLSA-N -1 1 360.364 2.305 20 0 FEADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000501848452 561606497 /nfs/dbraw/zinc/60/64/97/561606497.db2.gz SGRWLPUWISVFLD-OLZOCXBDSA-N -1 1 372.491 2.302 20 0 FEADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000501848452 561606498 /nfs/dbraw/zinc/60/64/98/561606498.db2.gz SGRWLPUWISVFLD-OLZOCXBDSA-N -1 1 372.491 2.302 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc([C@H]4CCOC4)cc3)cc2oc1=O ZINC000295227889 552972695 /nfs/dbraw/zinc/97/26/95/552972695.db2.gz SFYDIOOSAXITQH-ZDUSSCGKSA-N -1 1 374.418 2.436 20 0 FEADMM C[C@@H]1CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CCN(C2CC2)C1 ZINC000295230664 552972826 /nfs/dbraw/zinc/97/28/26/552972826.db2.gz BOXNNIHUUDEBPX-ZDUSSCGKSA-N -1 1 358.417 2.273 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc4c([nH]3)CCCC4)CC2)n1 ZINC000295581979 553028882 /nfs/dbraw/zinc/02/88/82/553028882.db2.gz MDLBJTKIRUOTEO-UHFFFAOYSA-N -1 1 371.441 2.208 20 0 FEADMM CCC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000295667794 553042059 /nfs/dbraw/zinc/04/20/59/553042059.db2.gz JWQYIMFQERJGQT-OAHLLOKOSA-N -1 1 358.460 2.176 20 0 FEADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1)NCCO ZINC000295688281 553044886 /nfs/dbraw/zinc/04/48/86/553044886.db2.gz DBAHAPSEOGBRMK-UHFFFAOYSA-N -1 1 374.462 2.016 20 0 FEADMM COc1cc(OC)c(C[C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c(OC)c1 ZINC000295836165 553065755 /nfs/dbraw/zinc/06/57/55/553065755.db2.gz ZTHNQGKTNWURKZ-LBPRGKRZSA-N -1 1 373.405 2.348 20 0 FEADMM CC[C@H](C)[C@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)OC ZINC000295931779 553077420 /nfs/dbraw/zinc/07/74/20/553077420.db2.gz HBXHGAKNDUIROP-LRDDRELGSA-N -1 1 358.442 2.272 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1cccc(F)c1Br)c1nn[n-]n1 ZINC000296072291 553100298 /nfs/dbraw/zinc/10/02/98/553100298.db2.gz RZBOSFPQNJTVFR-SECBINFHSA-N -1 1 370.226 2.296 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1ccccc1Cl ZINC000298071561 553380388 /nfs/dbraw/zinc/38/03/88/553380388.db2.gz HMMCXLKRNCOPKS-SECBINFHSA-N -1 1 357.819 2.279 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCCc3cc(C(F)(F)F)ccn3)ccnc1-2 ZINC000298555111 553440166 /nfs/dbraw/zinc/44/01/66/553440166.db2.gz ZBDBEBOIDNQIKF-CFRMEGHHSA-N -1 1 364.331 2.120 20 0 FEADMM CCn1ncc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1-c1ccccc1 ZINC000298840790 553479853 /nfs/dbraw/zinc/47/98/53/553479853.db2.gz DJLHWLXOEQJVOZ-CQSZACIVSA-N -1 1 366.425 2.001 20 0 FEADMM CCC(=O)N[C@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301396573 553648671 /nfs/dbraw/zinc/64/86/71/553648671.db2.gz GFNJNAXQXCUAOP-HNNXBMFYSA-N -1 1 355.442 2.356 20 0 FEADMM O=C(NCc1ccccc1Cn1ccnc1)c1nc2ccccc2c(=O)[n-]1 ZINC000504890810 561663715 /nfs/dbraw/zinc/66/37/15/561663715.db2.gz CRFGIOPJOLEBRZ-UHFFFAOYSA-N -1 1 359.389 2.098 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nncn1C1CC1)c1nc(C)cs1 ZINC000505463585 561671446 /nfs/dbraw/zinc/67/14/46/561671446.db2.gz CUAQSBQRXAJMGZ-GFCCVEGCSA-N -1 1 366.468 2.386 20 0 FEADMM C[C@@H]1COCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000310633081 553753308 /nfs/dbraw/zinc/75/33/08/553753308.db2.gz MKTUIUYXCQJJIE-LDYMZIIASA-N -1 1 361.179 2.152 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@]12CCOC2 ZINC000311575754 553754749 /nfs/dbraw/zinc/75/47/49/553754749.db2.gz VSODYFVGWXOICH-CQSZACIVSA-N -1 1 373.190 2.392 20 0 FEADMM CC[C@@H](O)[C@@H](CC)NC(=O)c1ccc(I)c([O-])c1 ZINC000313111499 553757304 /nfs/dbraw/zinc/75/73/04/553757304.db2.gz MEFJGZFILAPZNB-GHMZBOCLSA-N -1 1 363.195 2.276 20 0 FEADMM CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000319692495 553764214 /nfs/dbraw/zinc/76/42/14/553764214.db2.gz WPHSNMTWBXTYJS-UHFFFAOYSA-N -1 1 358.372 2.345 20 0 FEADMM CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1F ZINC000324802804 553773313 /nfs/dbraw/zinc/77/33/13/553773313.db2.gz PXFLOQMABIZWSK-UHFFFAOYSA-N -1 1 356.331 2.185 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1OC ZINC000325672439 553777321 /nfs/dbraw/zinc/77/73/21/553777321.db2.gz JXZZICXLDLTJGM-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM CCOC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCC1 ZINC000506509777 561700585 /nfs/dbraw/zinc/70/05/85/561700585.db2.gz FLHMQDDQRPEGLA-UHFFFAOYSA-N -1 1 372.487 2.436 20 0 FEADMM COc1ccc(F)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000507008975 561713744 /nfs/dbraw/zinc/71/37/44/561713744.db2.gz SXUQZINLQBCMRZ-UHFFFAOYSA-N -1 1 369.370 2.407 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(c2nnc3ccccn32)CC1 ZINC000329491808 553956987 /nfs/dbraw/zinc/95/69/87/553956987.db2.gz VTGYRTHIBPRYCA-UHFFFAOYSA-N -1 1 368.466 2.780 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cccc(CC(=O)OCC)c2)[nH]n1 ZINC000506817712 561709270 /nfs/dbraw/zinc/70/92/70/561709270.db2.gz BXIRDNSWHCISCP-UHFFFAOYSA-N -1 1 351.428 2.269 20 0 FEADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329600344 553974543 /nfs/dbraw/zinc/97/45/43/553974543.db2.gz XCZVNCOYRAHUPC-ATEUNZGCSA-N -1 1 353.831 2.782 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(c2nncn2C2CC2)CC1 ZINC000330271366 554097099 /nfs/dbraw/zinc/09/70/99/554097099.db2.gz VUNSBVGJDHGMKA-UHFFFAOYSA-N -1 1 358.471 2.664 20 0 FEADMM Cn1cc(Nc2cccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c2)cn1 ZINC000507872610 561744074 /nfs/dbraw/zinc/74/40/74/561744074.db2.gz GJQQFYALWNNLQB-CYBMUJFWSA-N -1 1 368.397 2.272 20 0 FEADMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000507885709 561744616 /nfs/dbraw/zinc/74/46/16/561744616.db2.gz FFZGTQVVLUDAPK-GFCCVEGCSA-N -1 1 364.423 2.243 20 0 FEADMM CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1=O ZINC000330422875 554119758 /nfs/dbraw/zinc/11/97/58/554119758.db2.gz FAJAPPKFHBZPQT-SSDOTTSWSA-N -1 1 357.646 2.156 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC1(c2ccc(F)cc2)CCCC1 ZINC000508367807 561760243 /nfs/dbraw/zinc/76/02/43/561760243.db2.gz MJTCDZCVXPRDCT-UHFFFAOYSA-N -1 1 357.385 2.242 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](CSc2ccccc2)C1 ZINC000508376664 561760342 /nfs/dbraw/zinc/76/03/42/561760342.db2.gz QNFSYCCVNZNDBQ-AWEZNQCLSA-N -1 1 371.462 2.158 20 0 FEADMM C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000508377535 561760764 /nfs/dbraw/zinc/76/07/64/561760764.db2.gz BVHLRTIKHNCFNQ-GDBMZVCRSA-N -1 1 353.422 2.169 20 0 FEADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000508385249 561760908 /nfs/dbraw/zinc/76/09/08/561760908.db2.gz RNHLQUWIWOHONJ-GJZGRUSLSA-N -1 1 353.422 2.230 20 0 FEADMM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000331056509 554207128 /nfs/dbraw/zinc/20/71/28/554207128.db2.gz PXFHGHNNWYLRDL-GFCCVEGCSA-N -1 1 370.471 2.330 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1CCOCC1 ZINC000508824566 561774038 /nfs/dbraw/zinc/77/40/38/561774038.db2.gz XZAVOTLMVXLOMH-UHFFFAOYSA-N -1 1 368.238 2.237 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)[nH]c21 ZINC000509173946 561788291 /nfs/dbraw/zinc/78/82/91/561788291.db2.gz HPBHLNZEWXARHO-JTQLQIEISA-N -1 1 360.414 2.229 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cncs3)c2)n1 ZINC000509222817 561790983 /nfs/dbraw/zinc/79/09/83/561790983.db2.gz DPAHBAGAYFGXHY-UHFFFAOYSA-N -1 1 357.395 2.035 20 0 FEADMM CCO[C@H](C)c1nc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cs1 ZINC000331760104 554321884 /nfs/dbraw/zinc/32/18/84/554321884.db2.gz DMWGKNHSWJFICY-MNOVXSKESA-N -1 1 366.443 2.278 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C1CC1)c1cc(Cl)c(Br)cc1F ZINC000331819324 554324898 /nfs/dbraw/zinc/32/48/98/554324898.db2.gz HXXFERCGJOQOHM-SNVBAGLBSA-N -1 1 372.643 2.291 20 0 FEADMM CN(C(N)=O)c1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000509255747 561792477 /nfs/dbraw/zinc/79/24/77/561792477.db2.gz NNAWTRDHHZXGAP-UHFFFAOYSA-N -1 1 363.377 2.408 20 0 FEADMM O=C(c1csc(Nc2ccccn2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509278869 561793424 /nfs/dbraw/zinc/79/34/24/561793424.db2.gz KDBAUHIISQZFAQ-UHFFFAOYSA-N -1 1 372.410 2.390 20 0 FEADMM CC1(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)COC1 ZINC000331893638 554340910 /nfs/dbraw/zinc/34/09/10/554340910.db2.gz ARMGDLSXZFXCON-UHFFFAOYSA-N -1 1 360.682 2.479 20 0 FEADMM CCCc1sc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1CC ZINC000331947489 554350850 /nfs/dbraw/zinc/35/08/50/554350850.db2.gz QJCBAMGDUMAJBD-UHFFFAOYSA-N -1 1 365.528 2.659 20 0 FEADMM Cc1cnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c([O-])c1 ZINC000332063295 554372587 /nfs/dbraw/zinc/37/25/87/554372587.db2.gz QLUHDGYAKMREFP-OKILXGFUSA-N -1 1 356.426 2.034 20 0 FEADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=c1nc([C@H](C)OC)[n-]s1 ZINC000509554849 561805005 /nfs/dbraw/zinc/80/50/05/561805005.db2.gz HOYZWLNJABTSPL-IINYFYTJSA-N -1 1 360.439 2.345 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)c(OC)cc32)o1 ZINC000510604940 561840401 /nfs/dbraw/zinc/84/04/01/561840401.db2.gz GKZMNHHFJRCKAP-GFCCVEGCSA-N -1 1 369.370 2.180 20 0 FEADMM N=c1nc(N2CCN(C(=O)Nc3ccc(F)c(C4CC4)c3)CC2)s[n-]1 ZINC000333016060 554559130 /nfs/dbraw/zinc/55/91/30/554559130.db2.gz CCMOADIXIWDGFZ-UHFFFAOYSA-N -1 1 362.434 2.491 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1Br ZINC000333155838 554581033 /nfs/dbraw/zinc/58/10/33/554581033.db2.gz LCCVZEPKLIQNCX-SSDOTTSWSA-N -1 1 374.264 2.375 20 0 FEADMM COc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)cc(Cl)c1[O-] ZINC000333209645 554589324 /nfs/dbraw/zinc/58/93/24/554589324.db2.gz BGIJLKYCQBRPJY-GTNSWQLSSA-N -1 1 355.818 2.464 20 0 FEADMM CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)CC2 ZINC000333383602 554607910 /nfs/dbraw/zinc/60/79/10/554607910.db2.gz FUTGVIZUGMZPCO-VIFPVBQESA-N -1 1 360.892 2.410 20 0 FEADMM C[C@@H](N=c1ccc(N2CCO[C@@]3(CCCOC3)C2)n[n-]1)c1ccccc1 ZINC000333525754 554621009 /nfs/dbraw/zinc/62/10/09/554621009.db2.gz XAXPGWTXPIOAOX-UZLBHIALSA-N -1 1 354.454 3.036 20 0 FEADMM CCc1nn(C)cc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000350552675 554797613 /nfs/dbraw/zinc/79/76/13/554797613.db2.gz LQQQYYVAMMRUAD-SECBINFHSA-N -1 1 367.456 2.134 20 0 FEADMM CN(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000350569977 554798473 /nfs/dbraw/zinc/79/84/73/554798473.db2.gz MWVHNMSKKVEKFS-UHFFFAOYSA-N -1 1 366.424 2.371 20 0 FEADMM Cn1c(=O)[nH]c(=O)c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)cnc21 ZINC000350810780 554815173 /nfs/dbraw/zinc/81/51/73/554815173.db2.gz ADSXEJQUXSLPGB-UHFFFAOYSA-N -1 1 371.740 2.110 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)co1 ZINC000360701505 554886090 /nfs/dbraw/zinc/88/60/90/554886090.db2.gz XRKYCTQLKZOQBZ-UKRRQHHQSA-N -1 1 362.451 2.281 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)Cc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000361765284 554933646 /nfs/dbraw/zinc/93/36/46/554933646.db2.gz YIRDZVVYHWDBLO-UHFFFAOYSA-N -1 1 366.377 2.037 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)Cc3cccc(C(=O)[O-])c3)n[nH]2)cc1 ZINC000361765284 554933650 /nfs/dbraw/zinc/93/36/50/554933650.db2.gz YIRDZVVYHWDBLO-UHFFFAOYSA-N -1 1 366.377 2.037 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](c3cc[nH]n3)C2)c(=O)[n-]1 ZINC000363027825 555013736 /nfs/dbraw/zinc/01/37/36/555013736.db2.gz HYWCKYPJUJWJDR-LBPRGKRZSA-N -1 1 361.471 2.274 20 0 FEADMM CN1C(=O)C[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@@H]1c1ccccc1 ZINC000363340737 555081281 /nfs/dbraw/zinc/08/12/81/555081281.db2.gz XKRXNTBSRGIVBN-BBRMVZONSA-N -1 1 362.393 2.025 20 0 FEADMM CCOC(=O)C[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1 ZINC000511915815 561885103 /nfs/dbraw/zinc/88/51/03/561885103.db2.gz JGIKBFVYJGJYIR-OAHLLOKOSA-N -1 1 368.393 2.098 20 0 FEADMM O=C(Nc1ccncc1[O-])c1cc(I)ccc1F ZINC000511984969 561887850 /nfs/dbraw/zinc/88/78/50/561887850.db2.gz VCZFKZUWWWQCEN-UHFFFAOYSA-N -1 1 358.110 2.205 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]cc2C)c1 ZINC000512249476 561897384 /nfs/dbraw/zinc/89/73/84/561897384.db2.gz MKYSPIOQRFPQDA-UHFFFAOYSA-N -1 1 351.428 2.312 20 0 FEADMM COc1ccc(C(=O)N=c2[nH][n-]c(C)c2Br)cc1OCCO ZINC000616008068 555263026 /nfs/dbraw/zinc/26/30/26/555263026.db2.gz CRFSANUXXOBBPN-UHFFFAOYSA-N -1 1 370.203 2.113 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1Br ZINC000616012815 555263548 /nfs/dbraw/zinc/26/35/48/555263548.db2.gz NDZGECCSEZAUHY-NSHDSACASA-N -1 1 369.219 2.467 20 0 FEADMM COC(=O)c1ccnc(N2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000364209220 555270727 /nfs/dbraw/zinc/27/07/27/555270727.db2.gz FFMPDOSNDUAIAQ-UHFFFAOYSA-N -1 1 373.384 2.065 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000364308280 555288536 /nfs/dbraw/zinc/28/85/36/555288536.db2.gz UQKZATITCXETNV-HOTGVXAUSA-N -1 1 372.469 2.259 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000364452458 555316590 /nfs/dbraw/zinc/31/65/90/555316590.db2.gz ACSOOSYTOWBEAK-OAHLLOKOSA-N -1 1 358.442 2.012 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](n3cncn3)C2)c([O-])c1 ZINC000364506576 555325814 /nfs/dbraw/zinc/32/58/14/555325814.db2.gz GKIARGUSPDIEAS-ZDUSSCGKSA-N -1 1 373.413 2.418 20 0 FEADMM Cc1cccc([C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C(F)(F)F)c1 ZINC000512485615 561907365 /nfs/dbraw/zinc/90/73/65/561907365.db2.gz TTXYISPANPBOKA-OAHLLOKOSA-N -1 1 367.327 2.245 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)cc(Cl)c1[O-] ZINC000364762731 555395861 /nfs/dbraw/zinc/39/58/61/555395861.db2.gz SCCIWQVQJYCKMD-GTNSWQLSSA-N -1 1 355.818 2.464 20 0 FEADMM Cc1cc(C)n(CC2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000364849000 555414907 /nfs/dbraw/zinc/41/49/07/555414907.db2.gz GTKKWBSEZGYWST-UHFFFAOYSA-N -1 1 365.437 2.289 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000365526739 555599583 /nfs/dbraw/zinc/59/95/83/555599583.db2.gz WLOZNSRJAGAIKO-KBPBESRZSA-N -1 1 366.414 2.393 20 0 FEADMM CCC[C@@]1(CO)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000365618657 555623858 /nfs/dbraw/zinc/62/38/58/555623858.db2.gz IGSLAHQQAUIZEA-QGZVFWFLSA-N -1 1 353.488 2.156 20 0 FEADMM C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cncc([O-])c2)C1=O ZINC000513477451 561939872 /nfs/dbraw/zinc/93/98/72/561939872.db2.gz SFQVXJCPDDERDX-PXAZEXFGSA-N -1 1 357.385 2.408 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)c2ccc3c(c2)CN(C)C(=O)N3)n1 ZINC000366006083 555725471 /nfs/dbraw/zinc/72/54/71/555725471.db2.gz FHIITIMFDZFTGS-UHFFFAOYSA-N -1 1 360.395 2.149 20 0 FEADMM COc1cc(Cl)c(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000513838275 561952048 /nfs/dbraw/zinc/95/20/48/561952048.db2.gz ODIPUNXHZNFDLK-UHFFFAOYSA-N -1 1 351.794 2.070 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c1 ZINC000513846791 561952367 /nfs/dbraw/zinc/95/23/67/561952367.db2.gz WRMOHJKHGAQCJO-CQSZACIVSA-N -1 1 367.448 2.375 20 0 FEADMM O=C(CCc1ccc(Br)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366710038 555915229 /nfs/dbraw/zinc/91/52/29/555915229.db2.gz MUEFKILTQNMAKD-GFCCVEGCSA-N -1 1 364.247 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](c3ccsc3)C[C@@H]2C)co1 ZINC000366817409 555942616 /nfs/dbraw/zinc/94/26/16/555942616.db2.gz ZZOROSUQHXNRMB-CMPLNLGQSA-N -1 1 354.453 2.267 20 0 FEADMM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1cccc(F)c1F ZINC000366987415 555990368 /nfs/dbraw/zinc/99/03/68/555990368.db2.gz FIYLKKGBVLRCFP-UHFFFAOYSA-N -1 1 359.423 2.369 20 0 FEADMM COc1cc(F)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000367394742 556037266 /nfs/dbraw/zinc/03/72/66/556037266.db2.gz QZYXUHJOFHJMEA-UHFFFAOYSA-N -1 1 373.315 2.274 20 0 FEADMM O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000367707489 556119751 /nfs/dbraw/zinc/11/97/51/556119751.db2.gz PBFMMPXRJBORJH-CQSZACIVSA-N -1 1 374.387 2.491 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)n[n-]1 ZINC000514956855 561988918 /nfs/dbraw/zinc/98/89/18/561988918.db2.gz XELKCAHNKRTDNK-CRWXNKLISA-N -1 1 366.462 2.388 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000514956855 561988919 /nfs/dbraw/zinc/98/89/19/561988919.db2.gz XELKCAHNKRTDNK-CRWXNKLISA-N -1 1 366.462 2.388 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000514956855 561988920 /nfs/dbraw/zinc/98/89/20/561988920.db2.gz XELKCAHNKRTDNK-CRWXNKLISA-N -1 1 366.462 2.388 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)n[nH]c1-c1ccncc1 ZINC000367871259 556160655 /nfs/dbraw/zinc/16/06/55/556160655.db2.gz QDPUAMPRHSSXNA-UHFFFAOYSA-N -1 1 358.379 2.310 20 0 FEADMM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc2N1 ZINC000367939661 556178130 /nfs/dbraw/zinc/17/81/30/556178130.db2.gz AWKGTECCZDXKCI-UHFFFAOYSA-N -1 1 360.391 2.491 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cc(C(F)F)ccc3F)CC2)s[n-]1 ZINC000621906239 556182036 /nfs/dbraw/zinc/18/20/36/556182036.db2.gz ARDFSOVUYFOVGH-UHFFFAOYSA-N -1 1 357.361 2.159 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC000621991897 556198074 /nfs/dbraw/zinc/19/80/74/556198074.db2.gz GXIAAYAONUPSTI-UHFFFAOYSA-N -1 1 369.347 2.415 20 0 FEADMM COC(=O)CCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000515020414 561992362 /nfs/dbraw/zinc/99/23/62/561992362.db2.gz UDVGBZNCCXBNTP-UHFFFAOYSA-N -1 1 367.199 2.386 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC000368169946 556236648 /nfs/dbraw/zinc/23/66/48/556236648.db2.gz ZCWAXQFRUPEMMW-MRXNPFEDSA-N -1 1 372.469 2.259 20 0 FEADMM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccnc2)n1 ZINC000368532235 556338061 /nfs/dbraw/zinc/33/80/61/556338061.db2.gz DQSSNXNLGXFECW-NSHDSACASA-N -1 1 360.395 2.180 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)CSc3nnnn3C3CC3)[nH][n-]2)s1 ZINC000623492511 556431031 /nfs/dbraw/zinc/43/10/31/556431031.db2.gz NTKOWEAZZPMZNE-UHFFFAOYSA-N -1 1 361.456 2.499 20 0 FEADMM O=C(c1c[nH]c2ccccc12)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000368859449 556431487 /nfs/dbraw/zinc/43/14/87/556431487.db2.gz HICXGKHCJXRGDR-UHFFFAOYSA-N -1 1 364.405 2.257 20 0 FEADMM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000515696424 562019697 /nfs/dbraw/zinc/01/96/97/562019697.db2.gz NKCGMRQSYNFVSL-ZDUSSCGKSA-N -1 1 366.439 2.420 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)C1(CO)CCOCC1)c1sccc1Cl ZINC000515775042 562021665 /nfs/dbraw/zinc/02/16/65/562021665.db2.gz VEZAZAJELYTIMF-GFCCVEGCSA-N -1 1 365.904 2.248 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H]2CCCCS2)n[n-]1 ZINC000516080384 562030143 /nfs/dbraw/zinc/03/01/43/562030143.db2.gz GPDVHIMXNKZIOY-VXGBXAGGSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H]2CCCCS2)[n-]1 ZINC000516080384 562030144 /nfs/dbraw/zinc/03/01/44/562030144.db2.gz GPDVHIMXNKZIOY-VXGBXAGGSA-N -1 1 354.476 2.471 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H]2CCCCS2)n1 ZINC000516080384 562030145 /nfs/dbraw/zinc/03/01/45/562030145.db2.gz GPDVHIMXNKZIOY-VXGBXAGGSA-N -1 1 354.476 2.471 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c1Cl ZINC000369381163 556585981 /nfs/dbraw/zinc/58/59/81/556585981.db2.gz ZYLQIWLDMYKGNH-CHWSQXEVSA-N -1 1 355.847 2.130 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cs1 ZINC000516321881 562039688 /nfs/dbraw/zinc/03/96/88/562039688.db2.gz LZMWPMMHWKHCPB-UHFFFAOYSA-N -1 1 355.319 2.077 20 0 FEADMM C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000516391445 562041473 /nfs/dbraw/zinc/04/14/73/562041473.db2.gz PWMSFRVYYZCZBO-SSDOTTSWSA-N -1 1 351.413 2.329 20 0 FEADMM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1c[nH]c2ncccc12 ZINC000516633215 562051837 /nfs/dbraw/zinc/05/18/37/562051837.db2.gz ISXKJNJGRWQOAM-UHFFFAOYSA-N -1 1 358.358 2.288 20 0 FEADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)C[C@H](OC)C3CC3)cc2)o1 ZINC000516650427 562052846 /nfs/dbraw/zinc/05/28/46/562052846.db2.gz NGOYWXDLECDEJM-AWEZNQCLSA-N -1 1 351.428 2.466 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)o1 ZINC000370252666 556822316 /nfs/dbraw/zinc/82/23/16/556822316.db2.gz SDBGFQILLVNVIQ-UHFFFAOYSA-N -1 1 371.455 2.474 20 0 FEADMM O=S(=O)(C[C@H]1Cc2ccccc2O1)c1nc(-c2ccccc2F)n[n-]1 ZINC000370658007 556933040 /nfs/dbraw/zinc/93/30/40/556933040.db2.gz SIXRQXTUVBLFBS-GFCCVEGCSA-N -1 1 359.382 2.388 20 0 FEADMM O=S(=O)(C[C@H]1Cc2ccccc2O1)c1n[n-]c(-c2ccccc2F)n1 ZINC000370658007 556933042 /nfs/dbraw/zinc/93/30/42/556933042.db2.gz SIXRQXTUVBLFBS-GFCCVEGCSA-N -1 1 359.382 2.388 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c1 ZINC000516942099 562066415 /nfs/dbraw/zinc/06/64/15/562066415.db2.gz AEOQEYADULLVAF-UHFFFAOYSA-N -1 1 362.407 2.161 20 0 FEADMM CCCCCCOc1ccc(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000370857875 556993275 /nfs/dbraw/zinc/99/32/75/556993275.db2.gz QCBDFDLRAVKRDC-QGZVFWFLSA-N -1 1 373.457 2.301 20 0 FEADMM Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370859625 556993907 /nfs/dbraw/zinc/99/39/07/556993907.db2.gz HMLWVFMMIKJCQC-LBPRGKRZSA-N -1 1 374.788 2.030 20 0 FEADMM C[C@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(C(F)(F)F)cc1 ZINC000370893688 557005936 /nfs/dbraw/zinc/00/59/36/557005936.db2.gz WKPWLEVEXPYSCZ-ZWNOBZJWSA-N -1 1 369.347 2.312 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000371269792 557126204 /nfs/dbraw/zinc/12/62/04/557126204.db2.gz WCBZJFIFVAMLMO-MRXNPFEDSA-N -1 1 370.453 2.247 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC000371853323 557311804 /nfs/dbraw/zinc/31/18/04/557311804.db2.gz QJKPTGIRZZPOIS-UHFFFAOYSA-N -1 1 354.472 2.108 20 0 FEADMM COCc1nsc(=N[C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)[n-]1 ZINC000371864202 557314492 /nfs/dbraw/zinc/31/44/92/557314492.db2.gz WQLLOHNJYAXGHF-GWCFXTLKSA-N -1 1 353.517 2.194 20 0 FEADMM COc1cc(F)c(S(=O)(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1OC ZINC000518622204 562115539 /nfs/dbraw/zinc/11/55/39/562115539.db2.gz JQPPHWJOPCETLF-CHWSQXEVSA-N -1 1 374.478 2.384 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000518769235 562118014 /nfs/dbraw/zinc/11/80/14/562118014.db2.gz IIVFONBOPPVAQJ-GXTWGEPZSA-N -1 1 374.416 2.301 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000518905042 562120728 /nfs/dbraw/zinc/12/07/28/562120728.db2.gz YYJSCCOLHWHKTR-UHFFFAOYSA-N -1 1 353.419 2.493 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000518905042 562120729 /nfs/dbraw/zinc/12/07/29/562120729.db2.gz YYJSCCOLHWHKTR-UHFFFAOYSA-N -1 1 353.419 2.493 20 0 FEADMM Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)no1 ZINC000372534847 557495872 /nfs/dbraw/zinc/49/58/72/557495872.db2.gz YKNBZZBCHVJAKL-CQSZACIVSA-N -1 1 362.405 2.349 20 0 FEADMM O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000372672633 557534247 /nfs/dbraw/zinc/53/42/47/557534247.db2.gz DXISIASKHNGMPY-UKRRQHHQSA-N -1 1 361.467 2.347 20 0 FEADMM CC1(C)c2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)ccc2NC1=O ZINC000519767409 562143124 /nfs/dbraw/zinc/14/31/24/562143124.db2.gz VNGNHHSSIHKJJB-LLVKDONJSA-N -1 1 356.382 2.025 20 0 FEADMM C[C@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000373062770 557619570 /nfs/dbraw/zinc/61/95/70/557619570.db2.gz HFAMGEVFNISIGY-AWEZNQCLSA-N -1 1 358.438 2.072 20 0 FEADMM CC(C)Cn1ccc2c1cccc2C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000373092517 557626906 /nfs/dbraw/zinc/62/69/06/557626906.db2.gz LSELFUTWJLLGQS-MRXNPFEDSA-N -1 1 354.414 2.024 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(SC)o3)CC2)n1 ZINC000373118932 557632953 /nfs/dbraw/zinc/63/29/53/557632953.db2.gz WMJOGFOWZBODNV-UHFFFAOYSA-N -1 1 364.427 2.316 20 0 FEADMM CC(=O)N1CC[C@](C)(C(=O)[N-]OCc2ccc(F)cc2Br)C1 ZINC000373435266 557692575 /nfs/dbraw/zinc/69/25/75/557692575.db2.gz LPBUYSSKKOOLHO-HNNXBMFYSA-N -1 1 373.222 2.395 20 0 FEADMM Cc1csc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1Br ZINC000373807664 557763709 /nfs/dbraw/zinc/76/37/09/557763709.db2.gz WFXQJLCQEFCQRY-QMMMGPOBSA-N -1 1 356.249 2.352 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@]2(N(C)C)CCOc3ccccc32)c1 ZINC000374471290 557888178 /nfs/dbraw/zinc/88/81/78/557888178.db2.gz JVIHEIYGFJSWSI-HXUWFJFHSA-N -1 1 370.405 2.357 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3CCC(=O)NC34CCC4)nc2)[n-]c(=O)c1C ZINC000374571241 557901202 /nfs/dbraw/zinc/90/12/02/557901202.db2.gz PSDAAGUKMSSMGQ-AWEZNQCLSA-N -1 1 353.426 2.474 20 0 FEADMM CC(=O)N1C[C@H](CCC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c2ccccc21 ZINC000374652118 557912226 /nfs/dbraw/zinc/91/22/26/557912226.db2.gz FCPLHOBWLWQTQF-UIFJYSFJSA-N -1 1 363.421 2.211 20 0 FEADMM O=S(=O)([N-]CC1(O)Cc2ccccc2C1)c1c(Cl)ccnc1Cl ZINC000374891270 557946662 /nfs/dbraw/zinc/94/66/62/557946662.db2.gz HSDNPOBBEUJMIE-UHFFFAOYSA-N -1 1 373.261 2.197 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1C[C@H](O)C2(CC2)C1 ZINC000375286823 558004584 /nfs/dbraw/zinc/00/45/84/558004584.db2.gz KSIPHCWJPOLMKQ-KRWDZBQOSA-N -1 1 372.446 2.084 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)o1 ZINC000521636497 562180838 /nfs/dbraw/zinc/18/08/38/562180838.db2.gz SSWHVPHMOGPPGK-SECBINFHSA-N -1 1 371.484 2.433 20 0 FEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@H]1COc2ccccc2[C@H]1O ZINC000377296093 558308687 /nfs/dbraw/zinc/30/86/87/558308687.db2.gz LESIWUNIWYFFCT-GOEBONIOSA-N -1 1 371.817 2.393 20 0 FEADMM O=S(=O)([N-][C@@H]1COc2ccccc2[C@H]1O)c1c(F)cccc1Cl ZINC000377346186 558320661 /nfs/dbraw/zinc/32/06/61/558320661.db2.gz MTCYKYTZNIFYOJ-TZMCWYRMSA-N -1 1 357.790 2.252 20 0 FEADMM O=C(NCc1nc(-c2cccc(F)c2)no1)c1nc2ccccc2c(=O)[n-]1 ZINC000377465090 558345346 /nfs/dbraw/zinc/34/53/46/558345346.db2.gz PMFTURPDORXCLC-UHFFFAOYSA-N -1 1 365.324 2.042 20 0 FEADMM O=C(c1ccccn1)N1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000377642142 558384525 /nfs/dbraw/zinc/38/45/25/558384525.db2.gz FEGOETBMHOOQIM-UHFFFAOYSA-N -1 1 361.348 2.054 20 0 FEADMM Cn1cccc1C(=O)NC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000377716518 558404413 /nfs/dbraw/zinc/40/44/13/558404413.db2.gz MMTPXJUAMOQUHJ-UHFFFAOYSA-N -1 1 363.364 2.044 20 0 FEADMM C[N@H+]1CC[C@H](CNS(=O)(=O)c2c[nH]cn2)[C@H]1c1cccc(Cl)c1 ZINC000377761720 558414508 /nfs/dbraw/zinc/41/45/08/558414508.db2.gz NVNQCSBQXIGPRJ-IUODEOHRSA-N -1 1 354.863 2.034 20 0 FEADMM COCCn1cc2c(n1)[C@@H](NC(=O)c1c(F)ccc([O-])c1F)CCC2 ZINC000377897515 558443676 /nfs/dbraw/zinc/44/36/76/558443676.db2.gz CGGRNLWQJZCMIB-LBPRGKRZSA-N -1 1 351.353 2.321 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)nc2)n[nH]c1-c1ccncc1 ZINC000377970950 558455172 /nfs/dbraw/zinc/45/51/72/558455172.db2.gz MLZIOPKISOWPOV-UHFFFAOYSA-N -1 1 358.427 2.042 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1Cl ZINC000377976305 558456178 /nfs/dbraw/zinc/45/61/78/558456178.db2.gz JAPIBRGRVYTATK-LLVKDONJSA-N -1 1 370.862 2.236 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC1(C)C ZINC000377984203 558457514 /nfs/dbraw/zinc/45/75/14/558457514.db2.gz HHUQBQAAZWXPLM-LLVKDONJSA-N -1 1 356.216 2.426 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(N2CCCCCC2)nc1 ZINC000522929205 562206263 /nfs/dbraw/zinc/20/62/63/562206263.db2.gz FZBAQVLGNIGNDT-UHFFFAOYSA-N -1 1 355.446 2.174 20 0 FEADMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CCC2 ZINC000378256258 558513179 /nfs/dbraw/zinc/51/31/79/558513179.db2.gz YZXLIFZFOLRAOF-SNVBAGLBSA-N -1 1 359.373 2.465 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c(C(=O)OC)s1 ZINC000523287634 562210507 /nfs/dbraw/zinc/21/05/07/562210507.db2.gz SKYMPJJOQMHMBU-UHFFFAOYSA-N -1 1 373.383 2.261 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000378381640 558544641 /nfs/dbraw/zinc/54/46/41/558544641.db2.gz VXRRCDSIKRPKBD-XJKSGUPXSA-N -1 1 365.407 2.122 20 0 FEADMM Cn1cc([C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2)cn1 ZINC000378641820 558599684 /nfs/dbraw/zinc/59/96/84/558599684.db2.gz YXOBUXQWPQYOID-KRWDZBQOSA-N -1 1 359.389 2.176 20 0 FEADMM CC[C@H]1COCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000523759198 562219207 /nfs/dbraw/zinc/21/92/07/562219207.db2.gz IDMXCQPDQCJVSE-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM C[C@@]1(CNC(=O)c2cc(I)ccc2[O-])CCOC1 ZINC000397108162 558623772 /nfs/dbraw/zinc/62/37/72/558623772.db2.gz AQTRUNPWEMPFFZ-ZDUSSCGKSA-N -1 1 361.179 2.153 20 0 FEADMM C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000397816850 558625653 /nfs/dbraw/zinc/62/56/53/558625653.db2.gz LHDMNQMBYHHELL-RKDXNWHRSA-N -1 1 363.195 2.134 20 0 FEADMM CN(C(=O)c1cc(I)ccc1[O-])[C@H]1CCCOC1 ZINC000401367556 558629542 /nfs/dbraw/zinc/62/95/42/558629542.db2.gz JEASXFOHWIPJHM-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc(Cl)c1[O-] ZINC000408066146 558642761 /nfs/dbraw/zinc/64/27/61/558642761.db2.gz VFPNTVRNKYHNDN-WRSAYESZSA-N -1 1 369.845 2.446 20 0 FEADMM Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000524113639 562224060 /nfs/dbraw/zinc/22/40/60/562224060.db2.gz ANPXAXWUFFPNMN-UHFFFAOYSA-N -1 1 373.390 2.385 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C2CCN(C(=O)NC(C)(C)C)CC2)sc1C ZINC000408209310 558656526 /nfs/dbraw/zinc/65/65/26/558656526.db2.gz BUNGTTRFPUIKEJ-UHFFFAOYSA-N -1 1 374.532 2.011 20 0 FEADMM COc1cc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)cc(Cl)c1[O-] ZINC000408448600 558678380 /nfs/dbraw/zinc/67/83/80/558678380.db2.gz XYEURVAIGFHRRT-UHFFFAOYSA-N -1 1 361.847 2.094 20 0 FEADMM O=C([N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)c1cc2[nH]cnc2cc1F ZINC000408495289 558684088 /nfs/dbraw/zinc/68/40/88/558684088.db2.gz DPTZMZDBCKTTOB-HKJQSTPSSA-N -1 1 351.403 2.340 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000524594583 562230727 /nfs/dbraw/zinc/23/07/27/562230727.db2.gz QFTYMRPTIMKHTN-UHFFFAOYSA-N -1 1 354.345 2.248 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1 ZINC000410353798 558752730 /nfs/dbraw/zinc/75/27/30/558752730.db2.gz MPFZBGDVLYUOJS-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000412254050 559022875 /nfs/dbraw/zinc/02/28/75/559022875.db2.gz IZPWIUWABRDRGO-VIFPVBQESA-N -1 1 360.805 2.382 20 0 FEADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000412254050 559022876 /nfs/dbraw/zinc/02/28/76/559022876.db2.gz IZPWIUWABRDRGO-VIFPVBQESA-N -1 1 360.805 2.382 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c(F)c1 ZINC000526005328 562263360 /nfs/dbraw/zinc/26/33/60/562263360.db2.gz QZPMPIKCGYEABH-UHFFFAOYSA-N -1 1 363.317 2.382 20 0 FEADMM CS(=O)(=O)CC1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1 ZINC000412878634 559060944 /nfs/dbraw/zinc/06/09/44/559060944.db2.gz AXNPQJOIALYMGN-UHFFFAOYSA-N -1 1 365.373 2.356 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N(CCCO)c2ccc(F)c(F)c2)c1 ZINC000414379750 559160105 /nfs/dbraw/zinc/16/01/05/559160105.db2.gz DOHOFCBPDRGRKT-UHFFFAOYSA-N -1 1 373.377 2.257 20 0 FEADMM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000414412855 559162638 /nfs/dbraw/zinc/16/26/38/559162638.db2.gz RRZILKCWPRTBKZ-LLVKDONJSA-N -1 1 357.410 2.258 20 0 FEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccnc(OC)c2)c1 ZINC000414451262 559164805 /nfs/dbraw/zinc/16/48/05/559164805.db2.gz JGFSDSMCWYNZEY-UHFFFAOYSA-N -1 1 350.396 2.294 20 0 FEADMM Cc1nnc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1C ZINC000414464466 559166196 /nfs/dbraw/zinc/16/61/96/559166196.db2.gz NJEMWBAHVCDQSD-UHFFFAOYSA-N -1 1 367.233 2.090 20 0 FEADMM CC(C)[C@H]1CN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CCN1C ZINC000414628095 559176319 /nfs/dbraw/zinc/17/63/19/559176319.db2.gz RYSUPXFPKLYHFF-ZWKOTPCHSA-N -1 1 361.486 2.444 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1=O ZINC000414655552 559177604 /nfs/dbraw/zinc/17/76/04/559177604.db2.gz JTMWLMHAGJLLTB-SJORKVTESA-N -1 1 360.360 2.481 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(OC(F)F)cc2)C1=O ZINC000414668389 559178474 /nfs/dbraw/zinc/17/84/74/559178474.db2.gz XDQKIVLUUQTBGM-KGLIPLIRSA-N -1 1 356.369 2.088 20 0 FEADMM COc1ccc(Br)cc1C1(C(=O)N=c2ccc(O)n[n-]2)CC1 ZINC000415468541 559240494 /nfs/dbraw/zinc/24/04/94/559240494.db2.gz YNQTZHIIYPSUBM-UHFFFAOYSA-N -1 1 364.199 2.624 20 0 FEADMM COc1ccc(Br)cc1C1(C(=O)N=c2ccc([O-])n[nH]2)CC1 ZINC000415468541 559240495 /nfs/dbraw/zinc/24/04/95/559240495.db2.gz YNQTZHIIYPSUBM-UHFFFAOYSA-N -1 1 364.199 2.624 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000416146116 559294476 /nfs/dbraw/zinc/29/44/76/559294476.db2.gz SZZAPYFEOZGSRF-UHFFFAOYSA-N -1 1 371.315 2.278 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000416166660 559295848 /nfs/dbraw/zinc/29/58/48/559295848.db2.gz NJKBEDNDWRXTOS-UHFFFAOYSA-N -1 1 361.398 2.003 20 0 FEADMM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416169968 559296203 /nfs/dbraw/zinc/29/62/03/559296203.db2.gz IAVVNLQVDYWCFH-GFCCVEGCSA-N -1 1 361.398 2.422 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000416209879 559298410 /nfs/dbraw/zinc/29/84/10/559298410.db2.gz NFSYNCVRXUSXKN-UHFFFAOYSA-N -1 1 373.409 2.013 20 0 FEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@H]2C ZINC000416208598 559298529 /nfs/dbraw/zinc/29/85/29/559298529.db2.gz YITLYKANROITPC-ZJUUUORDSA-N -1 1 359.382 2.053 20 0 FEADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cn1 ZINC000416423953 559312073 /nfs/dbraw/zinc/31/20/73/559312073.db2.gz ZBHKRPLLMZYQNV-LLVKDONJSA-N -1 1 361.423 2.189 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2OC)o1 ZINC000416575497 559322760 /nfs/dbraw/zinc/32/27/60/559322760.db2.gz BRIBVIKSDCBQQJ-CJNGLKHVSA-N -1 1 365.407 2.047 20 0 FEADMM CCOCCN(c1ccc(Cl)cc1)S(=O)(=O)c1c(C)o[n-]c1=N ZINC000416625762 559325920 /nfs/dbraw/zinc/32/59/20/559325920.db2.gz SKCYWKXXLSYFJZ-UHFFFAOYSA-N -1 1 359.835 2.450 20 0 FEADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1ccccc1F ZINC000416645776 559327198 /nfs/dbraw/zinc/32/71/98/559327198.db2.gz KLCBINGAVUVJGJ-MRXNPFEDSA-N -1 1 353.419 2.287 20 0 FEADMM O=C([O-])[C@@H]1CC(=O)N(CCNCc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000417637493 559369762 /nfs/dbraw/zinc/36/97/62/559369762.db2.gz YXZFKIOWKAEWNS-LLVKDONJSA-N -1 1 364.348 2.248 20 0 FEADMM NC(=O)[C@@H]1CC[C@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)C1 ZINC000418962352 559423653 /nfs/dbraw/zinc/42/36/53/559423653.db2.gz KVDMOJXXIKCVJU-UHNVWZDZSA-N -1 1 358.183 2.990 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1)OC ZINC000420684527 559497816 /nfs/dbraw/zinc/49/78/16/559497816.db2.gz DBZDUTGDLFGYMD-SJORKVTESA-N -1 1 365.451 2.398 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)c(F)c1)OC ZINC000420685359 559497926 /nfs/dbraw/zinc/49/79/26/559497926.db2.gz HWYMFTVMZCSNNM-GXFFZTMASA-N -1 1 367.826 2.038 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2)c1nn[n-]n1 ZINC000421782793 559553415 /nfs/dbraw/zinc/55/34/15/559553415.db2.gz DDENNDZRSVNNKX-AWEZNQCLSA-N -1 1 369.404 2.284 20 0 FEADMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000421910102 559556099 /nfs/dbraw/zinc/55/60/99/559556099.db2.gz AMOMKCPALZJQDS-VXGBXAGGSA-N -1 1 374.441 2.256 20 0 FEADMM C[C@@H]1CC[C@H](O)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000422019776 559560992 /nfs/dbraw/zinc/56/09/92/559560992.db2.gz TXXBFBZNFYFGDA-PBHICJAKSA-N -1 1 374.462 2.473 20 0 FEADMM CC[C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000422133425 559567295 /nfs/dbraw/zinc/56/72/95/559567295.db2.gz IPQIUPZSSKFKMR-SECBINFHSA-N -1 1 353.271 2.434 20 0 FEADMM CCNC(=O)c1cccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000424267788 559660279 /nfs/dbraw/zinc/66/02/79/559660279.db2.gz YVIMUKBOAMRJJX-INIZCTEOSA-N -1 1 361.442 2.094 20 0 FEADMM CCC(CC)(CNC(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000424412361 559663526 /nfs/dbraw/zinc/66/35/26/559663526.db2.gz PZZQGKQPLXGHMP-UHFFFAOYSA-N -1 1 353.438 2.448 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424568575 559669679 /nfs/dbraw/zinc/66/96/79/559669679.db2.gz UGBLOHRRQVHPJJ-WGDIFIGCSA-N -1 1 372.490 2.194 20 0 FEADMM CC[C@H](Cc1ccccc1C)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000424707700 559674189 /nfs/dbraw/zinc/67/41/89/559674189.db2.gz CWSXLUIAOUQLPY-CQSZACIVSA-N -1 1 359.499 2.346 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(C(=O)C(C)C)CC2)c(F)c1 ZINC000425142145 559688456 /nfs/dbraw/zinc/68/84/56/559688456.db2.gz LFGJYODFDVYDAT-UHFFFAOYSA-N -1 1 360.426 2.199 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2C)c(F)c1 ZINC000425182471 559689902 /nfs/dbraw/zinc/68/99/02/559689902.db2.gz YYYXZBKCVZCATI-CQSZACIVSA-N -1 1 355.406 2.464 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)Nc2cccnc2C)c(F)c1 ZINC000425190090 559690211 /nfs/dbraw/zinc/69/02/11/559690211.db2.gz UKVDGIHGTYTBON-NSHDSACASA-N -1 1 369.393 2.282 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@@H](NC(=O)N(C)C)C2)n[n-]1)c1ccccc1 ZINC000425266168 559694251 /nfs/dbraw/zinc/69/42/51/559694251.db2.gz HBNCZOVMBZMVEU-NVXWUHKLSA-N -1 1 368.485 2.890 20 0 FEADMM Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425300395 559695488 /nfs/dbraw/zinc/69/54/88/559695488.db2.gz LECVWKDAKRGNSQ-LBPRGKRZSA-N -1 1 371.372 2.428 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3C[C@H]4C[C@H]4C3)c2)n1 ZINC000425838681 559722290 /nfs/dbraw/zinc/72/22/90/559722290.db2.gz DRMCATRKKZFXLE-QDMKHBRRSA-N -1 1 369.425 2.246 20 0 FEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(-n4cnnn4)c3)cc2s1 ZINC000427741041 559761296 /nfs/dbraw/zinc/76/12/96/559761296.db2.gz BVEBWUIRALMLDI-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM Cc1c(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)cnn1C ZINC000427786215 559762535 /nfs/dbraw/zinc/76/25/35/559762535.db2.gz FYXCMYPBGHROLN-AWEZNQCLSA-N -1 1 359.373 2.411 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1ccc(CN2CCSCC2)cc1)C(=O)[O-] ZINC000428068836 559769213 /nfs/dbraw/zinc/76/92/13/559769213.db2.gz GXTNEXNHAQZREO-MRXNPFEDSA-N -1 1 350.484 2.465 20 0 FEADMM CC[C@@]1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000428727121 559781888 /nfs/dbraw/zinc/78/18/88/559781888.db2.gz BLPQBVZBWZPHGR-LJQANCHMSA-N -1 1 374.462 2.474 20 0 FEADMM CN(CCCC(=O)[O-])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430666766 559825986 /nfs/dbraw/zinc/82/59/86/559825986.db2.gz CYXQWNBRUHRBKH-UHFFFAOYSA-N -1 1 365.174 2.462 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC3CCCC3)c2)n1 ZINC000432965841 559869047 /nfs/dbraw/zinc/86/90/47/559869047.db2.gz IBVVMVOWWSXQKR-UHFFFAOYSA-N -1 1 357.414 2.390 20 0 FEADMM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OCC ZINC000433472075 559882576 /nfs/dbraw/zinc/88/25/76/559882576.db2.gz UMGRPSISHZBDOW-VIFPVBQESA-N -1 1 353.362 2.362 20 0 FEADMM C/C=C\C[C@H](CO)NC(=O)c1cc(I)ccc1[O-] ZINC000436933396 559956830 /nfs/dbraw/zinc/95/68/30/559956830.db2.gz QBCSYIHAQJKNPR-MXQLGCADSA-N -1 1 361.179 2.054 20 0 FEADMM COc1ccc(NC(=O)CCc2nc(C)cs2)cc1[N-]S(C)(=O)=O ZINC000434437940 559900394 /nfs/dbraw/zinc/90/03/94/559900394.db2.gz PZZKIVABLMLILF-UHFFFAOYSA-N -1 1 369.468 2.403 20 0 FEADMM COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000435143747 559917042 /nfs/dbraw/zinc/91/70/42/559917042.db2.gz VDOFLIWBHHHWOX-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM COc1cc(OC)cc(OCC[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000435214560 559918025 /nfs/dbraw/zinc/91/80/25/559918025.db2.gz CARFQVVSGWKVAZ-UHFFFAOYSA-N -1 1 372.468 2.134 20 0 FEADMM O=S(=O)([N-]CCc1cnccn1)c1c(Cl)cc(F)cc1Cl ZINC000435422245 559922455 /nfs/dbraw/zinc/92/24/55/559922455.db2.gz LHCKLLXXBPJMOO-UHFFFAOYSA-N -1 1 350.202 2.444 20 0 FEADMM NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435442611 559923150 /nfs/dbraw/zinc/92/31/50/559923150.db2.gz LWURELRBWGAYOM-APPZFPTMSA-N -1 1 369.245 2.455 20 0 FEADMM COC(=O)c1cn(-c2cccc(NC(=O)c3ccc(OC)cc3[O-])c2)nn1 ZINC000436497350 559943306 /nfs/dbraw/zinc/94/33/06/559943306.db2.gz STCKBECITOVANZ-UHFFFAOYSA-N -1 1 368.349 2.020 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cn(-c3ccc(F)cc3C)nn2)c1 ZINC000436502340 559943365 /nfs/dbraw/zinc/94/33/65/559943365.db2.gz CJEHWBIBZVPXGT-UHFFFAOYSA-N -1 1 370.340 2.459 20 0 FEADMM CNC(=O)CCOC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436579601 559945870 /nfs/dbraw/zinc/94/58/70/559945870.db2.gz YIFFZCCUHWIHPC-UHFFFAOYSA-N -1 1 356.422 2.303 20 0 FEADMM CC(C)(NC(=O)c1cc(OCc2ccccc2)ccc1O)c1nn[n-]n1 ZINC000436584405 559945995 /nfs/dbraw/zinc/94/59/95/559945995.db2.gz MIUNUBDMRCFSQP-UHFFFAOYSA-N -1 1 353.382 2.149 20 0 FEADMM O=C(N[C@@H](CCO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000436617705 559946618 /nfs/dbraw/zinc/94/66/18/559946618.db2.gz OPEDINYQGMVMSF-ZDUSSCGKSA-N -1 1 358.232 2.062 20 0 FEADMM C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436630384 559947057 /nfs/dbraw/zinc/94/70/57/559947057.db2.gz NGHHGWPERBCSDJ-BTYIYWSLSA-N -1 1 369.417 2.144 20 0 FEADMM COc1ccc(C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)c([O-])c1 ZINC000436689177 559949057 /nfs/dbraw/zinc/94/90/57/559949057.db2.gz VWZFICITZWDIKN-UHFFFAOYSA-N -1 1 351.380 2.065 20 0 FEADMM Cn1cc(-c2nc3ccccn3c2NC(=O)C(=O)c2ccc([O-])cc2)cn1 ZINC000436707944 559949658 /nfs/dbraw/zinc/94/96/58/559949658.db2.gz ZGFWGEDTBVVHLH-UHFFFAOYSA-N -1 1 361.361 2.262 20 0 FEADMM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cc(Br)ccc1[O-] ZINC000436715135 559949788 /nfs/dbraw/zinc/94/97/88/559949788.db2.gz OJDRFPJSDBPQMI-MFKMUULPSA-N -1 1 360.248 2.043 20 0 FEADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436746341 559950783 /nfs/dbraw/zinc/95/07/83/559950783.db2.gz DXGDCAFXPCNHMD-UHFFFAOYSA-N -1 1 352.387 2.470 20 0 FEADMM COC(=O)COc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(C)c1 ZINC000436781523 559951866 /nfs/dbraw/zinc/95/18/66/559951866.db2.gz DGSKWCFXFMHNTQ-UHFFFAOYSA-N -1 1 372.377 2.463 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(O)c1 ZINC000436869711 559954934 /nfs/dbraw/zinc/95/49/34/559954934.db2.gz KRVGMECTQUNATM-UHFFFAOYSA-N -1 1 350.396 2.121 20 0 FEADMM O=C(C(=O)N1CC(OCCCOc2ccccc2)C1)c1ccc([O-])cc1 ZINC000436937175 559956970 /nfs/dbraw/zinc/95/69/70/559956970.db2.gz DOZSFJJDNJFTCJ-UHFFFAOYSA-N -1 1 355.390 2.271 20 0 FEADMM CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)C1(C)C ZINC000436982089 559958304 /nfs/dbraw/zinc/95/83/04/559958304.db2.gz FRPHBJHUVFDMEF-DYVFJYSZSA-N -1 1 357.834 2.350 20 0 FEADMM O=C(NCc1ncccc1O)c1cc(I)ccc1[O-] ZINC000437007087 559959336 /nfs/dbraw/zinc/95/93/36/559959336.db2.gz ZUHQCKKLHDXRAV-UHFFFAOYSA-N -1 1 370.146 2.027 20 0 FEADMM CS(=O)(=O)Nc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1Cl ZINC000437007339 559959346 /nfs/dbraw/zinc/95/93/46/559959346.db2.gz UREZHVYCOKPIQF-UHFFFAOYSA-N -1 1 368.798 2.239 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCc2ncsc2C1 ZINC000438680047 559982093 /nfs/dbraw/zinc/98/20/93/559982093.db2.gz MZAUZTAOKPBEAP-UHFFFAOYSA-N -1 1 357.439 2.026 20 0 FEADMM O=S(=O)([N-]c1ccsc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000438779227 559983561 /nfs/dbraw/zinc/98/35/61/559983561.db2.gz NSADEVKBGFJDNS-UHFFFAOYSA-N -1 1 358.466 2.089 20 0 FEADMM CCn1cnc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000439570089 559997051 /nfs/dbraw/zinc/99/70/51/559997051.db2.gz LXPVBXVXYOPGHA-CQSZACIVSA-N -1 1 361.427 2.432 20 0 FEADMM CCn1cnc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000439570087 559997087 /nfs/dbraw/zinc/99/70/87/559997087.db2.gz LXPVBXVXYOPGHA-AWEZNQCLSA-N -1 1 361.427 2.432 20 0 FEADMM C/C=C/C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)C(=O)OCC ZINC000440094445 560004605 /nfs/dbraw/zinc/00/46/05/560004605.db2.gz VNDYQTVIXBNPFI-MASHWEEQSA-N -1 1 352.412 2.145 20 0 FEADMM COCCn1ccc(C(=O)N=c2nc(-c3cccc4ccccc43)[nH][n-]2)n1 ZINC000440311671 560008593 /nfs/dbraw/zinc/00/85/93/560008593.db2.gz DKZIYRJUSPQESP-UHFFFAOYSA-N -1 1 362.393 2.720 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)[nH]n2)o1 ZINC000442237642 560046664 /nfs/dbraw/zinc/04/66/64/560046664.db2.gz GZTBMDAHWWRJHH-UHFFFAOYSA-N -1 1 374.422 2.481 20 0 FEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1)OCO2 ZINC000442232078 560046685 /nfs/dbraw/zinc/04/66/85/560046685.db2.gz WMJIMQZVAAPTGN-UHFFFAOYSA-N -1 1 362.407 2.226 20 0 FEADMM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000442768798 560056951 /nfs/dbraw/zinc/05/69/51/560056951.db2.gz MFNODWYKJVJDJX-KBMXLJTQSA-N -1 1 369.483 2.036 20 0 FEADMM COc1cc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc(Cl)c1[O-] ZINC000442964444 560064059 /nfs/dbraw/zinc/06/40/59/560064059.db2.gz HZXAJWULWLGRIN-LBPRGKRZSA-N -1 1 367.810 2.313 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCC(C)C ZINC000443066297 560068866 /nfs/dbraw/zinc/06/88/66/560068866.db2.gz GXJJEBINHIYOIW-JSGCOSHPSA-N -1 1 357.476 2.470 20 0 FEADMM CCOC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000443243349 560076010 /nfs/dbraw/zinc/07/60/10/560076010.db2.gz WTOZQRCPRFTIOG-MRVPVSSYSA-N -1 1 361.769 2.035 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000443265240 560076795 /nfs/dbraw/zinc/07/67/95/560076795.db2.gz AJHDWOZRDGQWBQ-WRWORJQWSA-N -1 1 374.673 2.323 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3cnn(C)c3)n2)s1 ZINC000444464552 560114248 /nfs/dbraw/zinc/11/42/48/560114248.db2.gz MYBUMHZCGSKZKD-UHFFFAOYSA-N -1 1 372.439 2.346 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)c2cnc3ccsc3c2)s1 ZINC000445725874 560134305 /nfs/dbraw/zinc/13/43/05/560134305.db2.gz RQWHSRNKUUHCDY-UHFFFAOYSA-N -1 1 358.495 2.348 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CCC(=O)Nc2cc(F)cc(F)c2)n[n-]1 ZINC000447492283 560163351 /nfs/dbraw/zinc/16/33/51/560163351.db2.gz ZDKJMVFOIZUDHQ-UHFFFAOYSA-N -1 1 372.397 2.183 20 0 FEADMM CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc(Br)c([O-])c1 ZINC000447659199 560165960 /nfs/dbraw/zinc/16/59/60/560165960.db2.gz NILPTPKOJSTYQI-UHFFFAOYSA-N -1 1 371.275 2.338 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ncccc3C)c2)n1 ZINC000447673831 560166490 /nfs/dbraw/zinc/16/64/90/560166490.db2.gz WJLIEIKTPWBVCX-UHFFFAOYSA-N -1 1 365.393 2.282 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3occc3C)c2)n1 ZINC000447688547 560167247 /nfs/dbraw/zinc/16/72/47/560167247.db2.gz LYZLDHDIMZRVDK-UHFFFAOYSA-N -1 1 354.366 2.480 20 0 FEADMM CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)C1=O ZINC000447831626 560170356 /nfs/dbraw/zinc/17/03/56/560170356.db2.gz YVBHDHXPSXTVRU-UHFFFAOYSA-N -1 1 355.350 2.185 20 0 FEADMM CCCCn1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1C ZINC000448457788 560187353 /nfs/dbraw/zinc/18/73/53/560187353.db2.gz CGPOCHXZGXEXEB-UHFFFAOYSA-N -1 1 356.386 2.302 20 0 FEADMM O=C(NCCCCCO)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000448507445 560188654 /nfs/dbraw/zinc/18/86/54/560188654.db2.gz HSHMNOZNUBCVIQ-SFHVURJKSA-N -1 1 370.449 2.429 20 0 FEADMM CC(C)CCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000449154570 560218571 /nfs/dbraw/zinc/21/85/71/560218571.db2.gz NOZUQQATCOSRHS-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000450696336 560270648 /nfs/dbraw/zinc/27/06/48/560270648.db2.gz LBDUQIGISLNJAW-PSASIEDQSA-N -1 1 363.805 2.061 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000450696336 560270649 /nfs/dbraw/zinc/27/06/49/560270649.db2.gz LBDUQIGISLNJAW-PSASIEDQSA-N -1 1 363.805 2.061 20 0 FEADMM O=C(NCCO)c1ccc(=NC[C@H]2CCCC[C@@H]2c2ccccc2)[n-]n1 ZINC000450891200 560276940 /nfs/dbraw/zinc/27/69/40/560276940.db2.gz YSKJDWDLINGROW-IAGOWNOFSA-N -1 1 354.454 2.585 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)CCCC1 ZINC000451079848 560285955 /nfs/dbraw/zinc/28/59/55/560285955.db2.gz PDKIFHBQZUDIOK-UHFFFAOYSA-N -1 1 351.424 2.291 20 0 FEADMM Cc1c([N-]S(=O)(=O)CCOc2ccc(F)cc2)cnn1[C@@H]1CCOC1 ZINC000451098168 560286976 /nfs/dbraw/zinc/28/69/76/560286976.db2.gz GSEFMAQVSPXXAA-CQSZACIVSA-N -1 1 369.418 2.113 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCCC1 ZINC000451197032 560292617 /nfs/dbraw/zinc/29/26/17/560292617.db2.gz XUQHFQQRBUAHGM-UHFFFAOYSA-N -1 1 368.430 2.499 20 0 FEADMM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000451220007 560293870 /nfs/dbraw/zinc/29/38/70/560293870.db2.gz FTSCFFAWCHEUIY-LLVKDONJSA-N -1 1 361.872 2.428 20 0 FEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccnc2C(=O)OC)on1 ZINC000451247094 560295591 /nfs/dbraw/zinc/29/55/91/560295591.db2.gz LRMGIHQBNZZKKL-UHFFFAOYSA-N -1 1 367.427 2.238 20 0 FEADMM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451485298 560309877 /nfs/dbraw/zinc/30/98/77/560309877.db2.gz YKHNFTWQGYZRTG-YMTOWFKASA-N -1 1 361.872 2.373 20 0 FEADMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000451953141 560340285 /nfs/dbraw/zinc/34/02/85/560340285.db2.gz IGQCEUJSHOCEMR-SSDOTTSWSA-N -1 1 358.769 2.162 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)NC ZINC000452089077 560350579 /nfs/dbraw/zinc/35/05/79/560350579.db2.gz QXRNTSCMWIMTQW-SECBINFHSA-N -1 1 358.769 2.162 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)Cc2cc(F)cc(OC)c2)c1 ZINC000452095278 560350972 /nfs/dbraw/zinc/35/09/72/560350972.db2.gz YETYPVOSRXQVFL-SNVBAGLBSA-N -1 1 371.386 2.123 20 0 FEADMM Cc1cnc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)c([O-])c1 ZINC000452704212 560371666 /nfs/dbraw/zinc/37/16/66/560371666.db2.gz SNKALSTULFLAEL-UHFFFAOYSA-N -1 1 353.422 2.359 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000452856144 560376386 /nfs/dbraw/zinc/37/63/86/560376386.db2.gz WHURLSVCJMJTHL-ZBFHGGJFSA-N -1 1 360.458 2.162 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)C(C)C)cc2)o1 ZINC000452943682 560378696 /nfs/dbraw/zinc/37/86/96/560378696.db2.gz RWYIRWNDNLVYCU-UHFFFAOYSA-N -1 1 350.396 2.279 20 0 FEADMM CCO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@@H]1C ZINC000452952555 560379032 /nfs/dbraw/zinc/37/90/32/560379032.db2.gz ZEDWCOBKYOXSGQ-QWHCGFSZSA-N -1 1 372.487 2.244 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000453005243 560380861 /nfs/dbraw/zinc/38/08/61/560380861.db2.gz PKRYZQFMWLDJEQ-UXIGCNINSA-N -1 1 369.845 2.446 20 0 FEADMM COc1cc(NC(=O)NCc2ccnc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000454760298 560457166 /nfs/dbraw/zinc/45/71/66/560457166.db2.gz ANLKGGABIBTMML-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM COc1cc(NC(=O)NCCC2(OC)CCC2)ccc1[N-]S(C)(=O)=O ZINC000454789022 560458254 /nfs/dbraw/zinc/45/82/54/560458254.db2.gz ZPCCYXVBXYQVTM-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM COc1ccccc1-c1n[n-]c(=NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)s1 ZINC000455817695 560495759 /nfs/dbraw/zinc/49/57/59/560495759.db2.gz XOTZPZSHQSEUQG-RYUDHWBXSA-N -1 1 361.471 2.770 20 0 FEADMM COc1ccccc1-c1n[n-]c(=NC(=O)N2CCN(C)[C@H](C)[C@H]2C)s1 ZINC000455817702 560495820 /nfs/dbraw/zinc/49/58/20/560495820.db2.gz XOTZPZSHQSEUQG-VXGBXAGGSA-N -1 1 361.471 2.770 20 0 FEADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456628266 560526370 /nfs/dbraw/zinc/52/63/70/560526370.db2.gz KKANMBVHSBFQEC-OLZOCXBDSA-N -1 1 352.390 2.057 20 0 FEADMM COc1cc(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000456650567 560527290 /nfs/dbraw/zinc/52/72/90/560527290.db2.gz DLEOOOHZSHCBHO-MADCSZMMSA-N -1 1 353.724 2.440 20 0 FEADMM CO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456665056 560528034 /nfs/dbraw/zinc/52/80/34/560528034.db2.gz WGTQVBKRKJXGAD-CVEARBPZSA-N -1 1 372.469 2.400 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)co1 ZINC000456824614 560533916 /nfs/dbraw/zinc/53/39/16/560533916.db2.gz FFIUNVCUIIMBRD-CQSZACIVSA-N -1 1 370.377 2.443 20 0 FEADMM Cc1ccc(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)nc1 ZINC000457204426 560555809 /nfs/dbraw/zinc/55/58/09/560555809.db2.gz MPMFEHNVWFMTSL-UHFFFAOYSA-N -1 1 353.426 2.047 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000457862329 560590980 /nfs/dbraw/zinc/59/09/80/560590980.db2.gz RUWAVUNMTVZNKF-GASCZTMLSA-N -1 1 356.426 2.169 20 0 FEADMM CSCC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1nnc2ccccn21 ZINC000460509135 560745114 /nfs/dbraw/zinc/74/51/14/560745114.db2.gz MGCXAXZLICFKPI-GFCCVEGCSA-N -1 1 357.439 2.363 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc(C)c1F ZINC000460830638 560752883 /nfs/dbraw/zinc/75/28/83/560752883.db2.gz QCNKLBZUIRFYAN-UHFFFAOYSA-N -1 1 363.414 2.434 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3cccc(OC(F)(F)F)c3)ccnc1-2 ZINC000461115682 560762087 /nfs/dbraw/zinc/76/20/87/560762087.db2.gz WSRYMZKKKIPKTP-UHFFFAOYSA-N -1 1 372.328 2.041 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000461455324 560772190 /nfs/dbraw/zinc/77/21/90/560772190.db2.gz BWTOCTPDBWMRPZ-UHFFFAOYSA-N -1 1 372.805 2.274 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@]2(C)CCc3ccccc3C2)c1 ZINC000461456772 560772280 /nfs/dbraw/zinc/77/22/80/560772280.db2.gz LSMHXBYJPZDVEB-LJQANCHMSA-N -1 1 374.462 2.434 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(F)c2)c1 ZINC000461460115 560772478 /nfs/dbraw/zinc/77/24/78/560772478.db2.gz JONQIJMNMAOKIL-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2c[nH]cn2)cc1 ZINC000461463119 560772648 /nfs/dbraw/zinc/77/26/48/560772648.db2.gz DVIDPQDIWDLHLM-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM CCc1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])sc1C ZINC000461466758 560773089 /nfs/dbraw/zinc/77/30/89/560773089.db2.gz VRVVRCTZGSKAJH-UHFFFAOYSA-N -1 1 354.453 2.485 20 0 FEADMM Cn1c2cc([O-])c(NC(=O)C(=O)c3ccc(Cl)cc3)cc2n(C)c1=O ZINC000461612838 560776545 /nfs/dbraw/zinc/77/65/45/560776545.db2.gz XTEUASXTESFUDB-UHFFFAOYSA-N -1 1 359.769 2.057 20 0 FEADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cn1 ZINC000462369684 560807735 /nfs/dbraw/zinc/80/77/35/560807735.db2.gz LFISHYUBYZMVKY-UHFFFAOYSA-N -1 1 364.210 2.164 20 0 FEADMM COc1cc(F)c(F)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000464668480 560847983 /nfs/dbraw/zinc/84/79/83/560847983.db2.gz MCAJBRXNLQIUFP-UHFFFAOYSA-N -1 1 362.292 2.284 20 0 FEADMM COc1ccc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1 ZINC000464689631 560848513 /nfs/dbraw/zinc/84/85/13/560848513.db2.gz KAGBCNQKKIQWRX-UHFFFAOYSA-N -1 1 367.427 2.037 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)ccc1C ZINC000467079156 560903180 /nfs/dbraw/zinc/90/31/80/560903180.db2.gz MNVGEBVPPVLVSY-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM CCN(C)S(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000467773397 560917042 /nfs/dbraw/zinc/91/70/42/560917042.db2.gz XPMJDNPNUZPYRG-UHFFFAOYSA-N -1 1 369.468 2.096 20 0 FEADMM CCCn1c(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc2ccccc21 ZINC000468821417 560939630 /nfs/dbraw/zinc/93/96/30/560939630.db2.gz CWZVEQOZJWVFLO-UHFFFAOYSA-N -1 1 370.482 2.447 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)c1ccsc1 ZINC000469098483 560947204 /nfs/dbraw/zinc/94/72/04/560947204.db2.gz YGHLPFZSARUSPM-CQSZACIVSA-N -1 1 355.437 2.090 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(Cl)cc2F)o1 ZINC000469202267 560949855 /nfs/dbraw/zinc/94/98/55/560949855.db2.gz LVIAIPKGJJOAOQ-UHFFFAOYSA-N -1 1 364.757 2.049 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Br)cc1 ZINC000469627592 560960085 /nfs/dbraw/zinc/96/00/85/560960085.db2.gz NQXJCZZXTGZLOC-ZDUSSCGKSA-N -1 1 365.183 2.194 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)cc1 ZINC000470444658 560982201 /nfs/dbraw/zinc/98/22/01/560982201.db2.gz GFQICZJOJAGZRA-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c1 ZINC000470458868 560982757 /nfs/dbraw/zinc/98/27/57/560982757.db2.gz OTCFNKIQSZKKNU-ZDUSSCGKSA-N -1 1 363.391 2.353 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3OC)o1 ZINC000470609909 560985714 /nfs/dbraw/zinc/98/57/14/560985714.db2.gz CSGQYELMNRWQBQ-GFCCVEGCSA-N -1 1 351.380 2.041 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1NC(N)=O ZINC000474316593 561070997 /nfs/dbraw/zinc/07/09/97/561070997.db2.gz KWNOVWJHKCJFOR-UHFFFAOYSA-N -1 1 361.423 2.475 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](CO)c1ccsc1 ZINC000474678195 561080236 /nfs/dbraw/zinc/08/02/36/561080236.db2.gz SFEKOKYLUYHSAP-HNNXBMFYSA-N -1 1 370.434 2.006 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000474810013 561083207 /nfs/dbraw/zinc/08/32/07/561083207.db2.gz FOBQPVSKUMOJGJ-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM COc1ccccc1OCc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)o1 ZINC000475020310 561087933 /nfs/dbraw/zinc/08/79/33/561087933.db2.gz XRZGTIPDUWQJTQ-UHFFFAOYSA-N -1 1 357.370 2.045 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C ZINC000475791049 561105353 /nfs/dbraw/zinc/10/53/53/561105353.db2.gz LPHQPZPXWSREJS-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC000476503224 561121018 /nfs/dbraw/zinc/12/10/18/561121018.db2.gz HLEHKAXPBVYUTA-UHFFFAOYSA-N -1 1 366.395 2.307 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000476519709 561121511 /nfs/dbraw/zinc/12/15/11/561121511.db2.gz YLHVSHPOFWHCFK-UHFFFAOYSA-N -1 1 369.420 2.010 20 0 FEADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1Cl ZINC000476564512 561122725 /nfs/dbraw/zinc/12/27/25/561122725.db2.gz LIOFVDFBVPDQCG-UHFFFAOYSA-N -1 1 368.798 2.229 20 0 FEADMM Cc1ccc(CCC(=O)NC(C)(C)c2nn[n-]n2)c(Br)c1 ZINC000476682926 561125896 /nfs/dbraw/zinc/12/58/96/561125896.db2.gz FMQIGDCZHJSEPM-UHFFFAOYSA-N -1 1 352.236 2.255 20 0 FEADMM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1(c2nn[n-]n2)CC1 ZINC000477063696 561135746 /nfs/dbraw/zinc/13/57/46/561135746.db2.gz ZUHDLPYWOMTOTQ-UHFFFAOYSA-N -1 1 358.789 2.246 20 0 FEADMM O=S(=O)([N-]CC12CC(C1)CO2)c1cc(Br)c(F)cc1F ZINC000528531775 562334530 /nfs/dbraw/zinc/33/45/30/562334530.db2.gz OLBIJCMEYPJPPE-UHFFFAOYSA-N -1 1 368.199 2.185 20 0 FEADMM CCC[C@@H](OCC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000528902033 562352254 /nfs/dbraw/zinc/35/22/54/562352254.db2.gz MJYGYCCQRIYTQZ-MRXNPFEDSA-N -1 1 370.471 2.320 20 0 FEADMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(C)n1[C@@H]1CCOC1 ZINC000529271590 562366877 /nfs/dbraw/zinc/36/68/77/562366877.db2.gz JZBRCSYONZLSOQ-CQSZACIVSA-N -1 1 360.414 2.175 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529888582 562389699 /nfs/dbraw/zinc/38/96/99/562389699.db2.gz LMSBENVSGVHYLI-UHFFFAOYSA-N -1 1 372.425 2.159 20 0 FEADMM O=C(Cn1cc(C(=O)Nc2cccc(F)c2[O-])cn1)NC1CCCCC1 ZINC000530005076 562394236 /nfs/dbraw/zinc/39/42/36/562394236.db2.gz IALPYOJNJOCHSR-UHFFFAOYSA-N -1 1 360.389 2.429 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2O)o1 ZINC000530005621 562394260 /nfs/dbraw/zinc/39/42/60/562394260.db2.gz JOLLKHBFFOKWMP-UHFFFAOYSA-N -1 1 356.375 2.453 20 0 FEADMM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3cccc(F)c3[O-])c(C)c12 ZINC000530007510 562394263 /nfs/dbraw/zinc/39/42/63/562394263.db2.gz WRKQZGHHFIVLOS-UHFFFAOYSA-N -1 1 358.373 2.294 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3COC3)c2)c1 ZINC000530111394 562398747 /nfs/dbraw/zinc/39/87/47/562398747.db2.gz CIINKFNTGYMEFZ-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCC3COC3)c2)c1 ZINC000530114685 562398756 /nfs/dbraw/zinc/39/87/56/562398756.db2.gz YQLNGTIQPJRHCM-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)COC4)cc3c2N1CC3 ZINC000530137886 562399312 /nfs/dbraw/zinc/39/93/12/562399312.db2.gz RHIAGIOLJFTGCV-UHFFFAOYSA-N -1 1 370.430 2.353 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c(C)n1 ZINC000530152933 562400233 /nfs/dbraw/zinc/40/02/33/562400233.db2.gz FVBAMNKBFPNCQE-UHFFFAOYSA-N -1 1 373.434 2.035 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ncccc3Cl)cc3c2N1CC3 ZINC000530152984 562400285 /nfs/dbraw/zinc/40/02/85/562400285.db2.gz IADKLANBZAXLNH-UHFFFAOYSA-N -1 1 363.826 2.371 20 0 FEADMM CN1CCN(C)[C@@H](CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)C1 ZINC000530669596 562420022 /nfs/dbraw/zinc/42/00/22/562420022.db2.gz YLHUPHMPUAYVQV-ZDUSSCGKSA-N -1 1 356.257 2.123 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)sc1C ZINC000530826261 562425422 /nfs/dbraw/zinc/42/54/22/562425422.db2.gz YZQMPWMEIXXMFJ-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(F)c2)o1 ZINC000532707736 562486346 /nfs/dbraw/zinc/48/63/46/562486346.db2.gz BZHRROCPDHMNIV-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)ccc2F)c1 ZINC000531781787 562456537 /nfs/dbraw/zinc/45/65/37/562456537.db2.gz YGUALTFBBGKOBA-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1cc(F)c(F)cc1F ZINC000532421557 562477377 /nfs/dbraw/zinc/47/73/77/562477377.db2.gz YZGVRPUHVMGFRN-UHFFFAOYSA-N -1 1 373.278 2.341 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2c(F)cccc2Cl)co1 ZINC000533701857 562516528 /nfs/dbraw/zinc/51/65/28/562516528.db2.gz DDXMHKPDUGJVPB-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OCCO)cc1 ZINC000534259300 562528774 /nfs/dbraw/zinc/52/87/74/562528774.db2.gz PHNIXJDTYLAELK-UHFFFAOYSA-N -1 1 364.423 2.072 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nccc(C)n3)c2)co1 ZINC000534396463 562533261 /nfs/dbraw/zinc/53/32/61/562533261.db2.gz QLQGTOJYKWNUJF-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)CC(C)C)co1 ZINC000534425036 562533890 /nfs/dbraw/zinc/53/38/90/562533890.db2.gz BKNJYVVWWXBVCT-UHFFFAOYSA-N -1 1 350.440 2.486 20 0 FEADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000534781914 562542268 /nfs/dbraw/zinc/54/22/68/562542268.db2.gz NAYMPZVJKSORHJ-UHFFFAOYSA-N -1 1 370.858 2.130 20 0 FEADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000534829503 562543345 /nfs/dbraw/zinc/54/33/45/562543345.db2.gz RZIYFPZHDDVTPP-GFCCVEGCSA-N -1 1 355.309 2.472 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1C ZINC000535346694 562556489 /nfs/dbraw/zinc/55/64/89/562556489.db2.gz SIQDUNWJQHGDRX-UHFFFAOYSA-N -1 1 367.448 2.402 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000535653572 562563395 /nfs/dbraw/zinc/56/33/95/562563395.db2.gz ADIBNMILRWDSET-UHFFFAOYSA-N -1 1 372.402 2.306 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)c2c(C)n[nH]c2C)cc1[N-]S(C)(=O)=O ZINC000541408740 562611293 /nfs/dbraw/zinc/61/12/93/562611293.db2.gz OKOGTPFZWNCREB-SECBINFHSA-N -1 1 366.443 2.149 20 0 FEADMM Cc1cncnc1-c1noc(Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000545735372 562630060 /nfs/dbraw/zinc/63/00/60/562630060.db2.gz QLKXQJGICXOUHB-UHFFFAOYSA-N -1 1 361.365 2.292 20 0 FEADMM C[S@](=O)Cc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000546539282 562637682 /nfs/dbraw/zinc/63/76/82/562637682.db2.gz WXPVKCISYHNPTO-NRFANRHFSA-N -1 1 359.450 2.126 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)nn1-c1ccc(F)cc1 ZINC000549731533 562638836 /nfs/dbraw/zinc/63/88/36/562638836.db2.gz SXPNYYFXMJRTET-LBPRGKRZSA-N -1 1 371.372 2.428 20 0 FEADMM CCn1nc(C)c(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000550099569 562642421 /nfs/dbraw/zinc/64/24/21/562642421.db2.gz AFIMEKURIBZRKF-UHFFFAOYSA-N -1 1 366.443 2.152 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H](C)c2cccnc2)[n-]1 ZINC000550105563 562642586 /nfs/dbraw/zinc/64/25/86/562642586.db2.gz MQTCBTAPVRWKDN-GXTWGEPZSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H](C)c2cccnc2)n[n-]1 ZINC000550105563 562642587 /nfs/dbraw/zinc/64/25/87/562642587.db2.gz MQTCBTAPVRWKDN-GXTWGEPZSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H](C)c2cccnc2)n1 ZINC000550105563 562642588 /nfs/dbraw/zinc/64/25/88/562642588.db2.gz MQTCBTAPVRWKDN-GXTWGEPZSA-N -1 1 359.430 2.384 20 0 FEADMM O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000806629640 674384345 /nfs/dbraw/zinc/38/43/45/674384345.db2.gz OUWJHZXOAMQRLP-CQSZACIVSA-N -1 1 353.296 2.444 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccnn2CC)c(F)cc1C ZINC000556302673 674395956 /nfs/dbraw/zinc/39/59/56/674395956.db2.gz LWDZTWGJWNVPQE-UHFFFAOYSA-N -1 1 355.391 2.328 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]CC(=O)Nc2ccccc2)no1 ZINC000556364880 674398956 /nfs/dbraw/zinc/39/89/56/674398956.db2.gz IWSDYNVZIPEIGD-UHFFFAOYSA-N -1 1 351.428 2.030 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)OC)cc(Cl)c1[O-] ZINC000601727631 567827868 /nfs/dbraw/zinc/82/78/68/567827868.db2.gz QOVQKNFYCJUKOX-PIGZYNQJSA-N -1 1 371.817 2.237 20 0 FEADMM CCOC(=O)[C@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCOC1 ZINC000601872565 567861840 /nfs/dbraw/zinc/86/18/40/567861840.db2.gz SPYBKNMKEKHGJZ-KRWDZBQOSA-N -1 1 355.818 2.064 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)n[n-]1 ZINC000603153996 568065264 /nfs/dbraw/zinc/06/52/64/568065264.db2.gz JIUXNIIAQXYUBO-BPNCWPANSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)[n-]1 ZINC000603153996 568065265 /nfs/dbraw/zinc/06/52/65/568065265.db2.gz JIUXNIIAQXYUBO-BPNCWPANSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000603153996 568065266 /nfs/dbraw/zinc/06/52/66/568065266.db2.gz JIUXNIIAQXYUBO-BPNCWPANSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n[n-]1 ZINC000603157250 568068881 /nfs/dbraw/zinc/06/88/81/568068881.db2.gz VGYSWDXLDVXHHU-LSJOCFKGSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)[n-]1 ZINC000603157250 568068882 /nfs/dbraw/zinc/06/88/82/568068882.db2.gz VGYSWDXLDVXHHU-LSJOCFKGSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000603157250 568068883 /nfs/dbraw/zinc/06/88/83/568068883.db2.gz VGYSWDXLDVXHHU-LSJOCFKGSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603301373 568086680 /nfs/dbraw/zinc/08/66/80/568086680.db2.gz GOJHGUWTRJUOOH-SMDDNHRTSA-N -1 1 371.446 2.088 20 0 FEADMM COc1cc2[n-]cc(C(=O)N[C@@H]3CCOC(C)(C)C3)c(=O)c2c(OC)c1 ZINC000626260436 568165160 /nfs/dbraw/zinc/16/51/60/568165160.db2.gz LIRIQJMJBMDTCI-LLVKDONJSA-N -1 1 360.410 2.233 20 0 FEADMM COc1cc(CCNC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)ccc1O ZINC000604087617 568209972 /nfs/dbraw/zinc/20/99/72/568209972.db2.gz QHRPTRXJNORNLB-UHFFFAOYSA-N -1 1 353.378 2.331 20 0 FEADMM COc1cc(CCNC(=O)c2cnc3nc(C)ccc3c2[O-])ccc1O ZINC000604087617 568209973 /nfs/dbraw/zinc/20/99/73/568209973.db2.gz QHRPTRXJNORNLB-UHFFFAOYSA-N -1 1 353.378 2.331 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000604788775 568367074 /nfs/dbraw/zinc/36/70/74/568367074.db2.gz OQDGHWFGEGBOFX-HWWQOWPSSA-N -1 1 355.348 2.487 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H]1C=CCCC1 ZINC000737487376 598844172 /nfs/dbraw/zinc/84/41/72/598844172.db2.gz IDURGLQCGIYCCU-CYBMUJFWSA-N -1 1 367.413 2.111 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H]1C=CCCC1 ZINC000737487376 598844173 /nfs/dbraw/zinc/84/41/73/598844173.db2.gz IDURGLQCGIYCCU-CYBMUJFWSA-N -1 1 367.413 2.111 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736278246 598873942 /nfs/dbraw/zinc/87/39/42/598873942.db2.gz QHTCZKCRKLDLBL-SNVBAGLBSA-N -1 1 355.851 2.331 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736278246 598873943 /nfs/dbraw/zinc/87/39/43/598873943.db2.gz QHTCZKCRKLDLBL-SNVBAGLBSA-N -1 1 355.851 2.331 20 0 FEADMM c1ncn(-c2ccc(CNc3c4ccccc4nnc3-c3nnn[n-]3)cc2)n1 ZINC000738438153 598937496 /nfs/dbraw/zinc/93/74/96/598937496.db2.gz XUOCQCBRDUQBRF-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1ncn(-c2ccc(CNc3c4ccccc4nnc3-c3nn[n-]n3)cc2)n1 ZINC000738438153 598937498 /nfs/dbraw/zinc/93/74/98/598937498.db2.gz XUOCQCBRDUQBRF-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM Clc1cccc(-c2noc(CCNc3nccnc3-c3nnn[n-]3)n2)c1 ZINC000737575290 598944981 /nfs/dbraw/zinc/94/49/81/598944981.db2.gz PJIYSNKPCWIVEL-UHFFFAOYSA-N -1 1 369.776 2.015 20 0 FEADMM Clc1cccc(-c2noc(CCNc3nccnc3-c3nn[n-]n3)n2)c1 ZINC000737575290 598944982 /nfs/dbraw/zinc/94/49/82/598944982.db2.gz PJIYSNKPCWIVEL-UHFFFAOYSA-N -1 1 369.776 2.015 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736613098 598945190 /nfs/dbraw/zinc/94/51/90/598945190.db2.gz CUOZYFMDAZYXSP-GJZGRUSLSA-N -1 1 356.430 2.072 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736613098 598945191 /nfs/dbraw/zinc/94/51/91/598945191.db2.gz CUOZYFMDAZYXSP-GJZGRUSLSA-N -1 1 356.430 2.072 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCc1ccc2c(c1)OCO2 ZINC000738437583 598956414 /nfs/dbraw/zinc/95/64/14/598956414.db2.gz QQCRWAWAMFYGTA-UHFFFAOYSA-N -1 1 361.365 2.193 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCc1ccc2c(c1)OCO2 ZINC000738437583 598956416 /nfs/dbraw/zinc/95/64/16/598956416.db2.gz QQCRWAWAMFYGTA-UHFFFAOYSA-N -1 1 361.365 2.193 20 0 FEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000735488958 598985694 /nfs/dbraw/zinc/98/56/94/598985694.db2.gz QFGOYTJTTXHDLR-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000735488958 598985695 /nfs/dbraw/zinc/98/56/95/598985695.db2.gz QFGOYTJTTXHDLR-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000738260066 598985724 /nfs/dbraw/zinc/98/57/24/598985724.db2.gz YIPZJRBPFJXRQO-UHFFFAOYSA-N -1 1 350.357 2.330 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000738260066 598985725 /nfs/dbraw/zinc/98/57/25/598985725.db2.gz YIPZJRBPFJXRQO-UHFFFAOYSA-N -1 1 350.357 2.330 20 0 FEADMM O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738110961 598986821 /nfs/dbraw/zinc/98/68/21/598986821.db2.gz WWQQDUMVJQUACQ-UHFFFAOYSA-N -1 1 364.287 2.090 20 0 FEADMM O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738110961 598986824 /nfs/dbraw/zinc/98/68/24/598986824.db2.gz WWQQDUMVJQUACQ-UHFFFAOYSA-N -1 1 364.287 2.090 20 0 FEADMM CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736751140 599001441 /nfs/dbraw/zinc/00/14/41/599001441.db2.gz IQSUIRVYLOPTCX-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736751140 599001443 /nfs/dbraw/zinc/00/14/43/599001443.db2.gz IQSUIRVYLOPTCX-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM CCc1ccc(CCn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cc1 ZINC000736681629 599012572 /nfs/dbraw/zinc/01/25/72/599012572.db2.gz CXMRGHDGGSWFPG-UHFFFAOYSA-N -1 1 352.442 2.353 20 0 FEADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC000735526007 599021958 /nfs/dbraw/zinc/02/19/58/599021958.db2.gz SEHLMIMCPSZQMI-LLVKDONJSA-N -1 1 373.461 2.063 20 0 FEADMM CCc1csc([C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000736702896 599033402 /nfs/dbraw/zinc/03/34/02/599033402.db2.gz YHUCTZIKBPJNPM-GFCCVEGCSA-N -1 1 369.454 2.300 20 0 FEADMM CCc1csc([C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000736702896 599033404 /nfs/dbraw/zinc/03/34/04/599033404.db2.gz YHUCTZIKBPJNPM-GFCCVEGCSA-N -1 1 369.454 2.300 20 0 FEADMM Clc1ccc(Cn2cc(Nc3nccnc3-c3nnn[n-]3)cn2)cc1 ZINC000822573691 599087875 /nfs/dbraw/zinc/08/78/75/599087875.db2.gz DNIJZDZZJOGNJS-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM Clc1ccc(Cn2cc(Nc3nccnc3-c3nn[n-]n3)cn2)cc1 ZINC000822573691 599087878 /nfs/dbraw/zinc/08/78/78/599087878.db2.gz DNIJZDZZJOGNJS-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(Cl)cc1 ZINC000820270101 599203769 /nfs/dbraw/zinc/20/37/69/599203769.db2.gz VBAMSUDGAPLBQO-SNVBAGLBSA-N -1 1 358.789 2.112 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(Cl)cc1 ZINC000820270101 599203772 /nfs/dbraw/zinc/20/37/72/599203772.db2.gz VBAMSUDGAPLBQO-SNVBAGLBSA-N -1 1 358.789 2.112 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CCc2nccs2)n[n-]1 ZINC000556783684 674419810 /nfs/dbraw/zinc/41/98/10/674419810.db2.gz BUMMEXFMSXUHBM-NSHDSACASA-N -1 1 365.459 2.274 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CCc2nccs2)[n-]1 ZINC000556783684 674419812 /nfs/dbraw/zinc/41/98/12/674419812.db2.gz BUMMEXFMSXUHBM-NSHDSACASA-N -1 1 365.459 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CCc2nccs2)n1 ZINC000556783684 674419814 /nfs/dbraw/zinc/41/98/14/674419814.db2.gz BUMMEXFMSXUHBM-NSHDSACASA-N -1 1 365.459 2.274 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000818374924 597116871 /nfs/dbraw/zinc/11/68/71/597116871.db2.gz ULOSGPLULOPUQX-BBRMVZONSA-N -1 1 351.422 2.325 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000818374932 597117091 /nfs/dbraw/zinc/11/70/91/597117091.db2.gz ULOSGPLULOPUQX-XJKSGUPXSA-N -1 1 351.422 2.325 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000819018735 597534631 /nfs/dbraw/zinc/53/46/31/597534631.db2.gz FWKFIVLZEJVWKN-GJZGRUSLSA-N -1 1 356.426 2.223 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736900118 599278545 /nfs/dbraw/zinc/27/85/45/599278545.db2.gz CPKGVEUWADFFSH-NSHDSACASA-N -1 1 362.342 2.138 20 0 FEADMM C[C@H]1CCN(C(=O)COc2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807709438 674425289 /nfs/dbraw/zinc/42/52/89/674425289.db2.gz LUJTVLMHSPBVNM-HUBLWGQQSA-N -1 1 358.360 2.369 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCC(C)(C)CO ZINC000822540671 607324356 /nfs/dbraw/zinc/32/43/56/607324356.db2.gz FCEJSDGHJLERAP-UHFFFAOYSA-N -1 1 372.429 2.087 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCC(C)(C)CO ZINC000822540671 607324357 /nfs/dbraw/zinc/32/43/57/607324357.db2.gz FCEJSDGHJLERAP-UHFFFAOYSA-N -1 1 372.429 2.087 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c(F)cc1F ZINC000822211649 607328009 /nfs/dbraw/zinc/32/80/09/607328009.db2.gz IWYZTJLWRDBYIK-UHFFFAOYSA-N -1 1 369.328 2.393 20 0 FEADMM CCc1cccc(CC)c1NC(=O)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC000821492292 607348955 /nfs/dbraw/zinc/34/89/55/607348955.db2.gz KQWUXUGVXODMIC-UHFFFAOYSA-N -1 1 366.425 2.100 20 0 FEADMM c1ccc(-n2c(Sc3nccnc3-c3nn[n-]n3)nnc2C2CC2)cc1 ZINC000738427885 598342058 /nfs/dbraw/zinc/34/20/58/598342058.db2.gz YPESJKVRVJHOPK-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM CC(C)CCc1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000735818570 598503541 /nfs/dbraw/zinc/50/35/41/598503541.db2.gz MVCVMKXSVBVANY-UHFFFAOYSA-N -1 1 365.397 2.202 20 0 FEADMM CC(C)c1ncc2c(n1)CN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000735942301 598546335 /nfs/dbraw/zinc/54/63/35/598546335.db2.gz HYKNXJIKJFUIAE-UHFFFAOYSA-N -1 1 362.850 2.453 20 0 FEADMM CC(C)c1ncc2c(n1)CN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000735942301 598546338 /nfs/dbraw/zinc/54/63/38/598546338.db2.gz HYKNXJIKJFUIAE-UHFFFAOYSA-N -1 1 362.850 2.453 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c(C)s1 ZINC000737282593 598593594 /nfs/dbraw/zinc/59/35/94/598593594.db2.gz GMPSHFNADXWTQI-UHFFFAOYSA-N -1 1 353.404 2.485 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H](C)C(F)(F)F ZINC000826233168 607362129 /nfs/dbraw/zinc/36/21/29/607362129.db2.gz WLLVGODUOFMFAP-ZETCQYMHSA-N -1 1 373.335 2.258 20 0 FEADMM Cc1cc([C@H]2CCCN2CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)on1 ZINC000822198851 607364534 /nfs/dbraw/zinc/36/45/34/607364534.db2.gz MCPFNVDLCZWCJK-GFCCVEGCSA-N -1 1 371.401 2.149 20 0 FEADMM C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736251453 598689372 /nfs/dbraw/zinc/68/93/72/598689372.db2.gz OJJFFLHDBYPPGI-MNOVXSKESA-N -1 1 353.423 2.205 20 0 FEADMM COc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1F ZINC000737098388 598721467 /nfs/dbraw/zinc/72/14/67/598721467.db2.gz CYKNJUGVQRYCDN-UHFFFAOYSA-N -1 1 351.341 2.378 20 0 FEADMM FC(F)(F)c1nsc(=NCCN2CCN(c3ccccc3)CC2)[n-]1 ZINC000557519276 674451927 /nfs/dbraw/zinc/45/19/27/674451927.db2.gz XZZYJAOZKBLIIC-UHFFFAOYSA-N -1 1 357.405 2.213 20 0 FEADMM Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000737420329 598757554 /nfs/dbraw/zinc/75/75/54/598757554.db2.gz IATNEDPCZDFRAQ-INIZCTEOSA-N -1 1 372.454 2.246 20 0 FEADMM Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000737420329 598757555 /nfs/dbraw/zinc/75/75/55/598757555.db2.gz IATNEDPCZDFRAQ-INIZCTEOSA-N -1 1 372.454 2.246 20 0 FEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C2(O)COC2)cc1 ZINC000808121713 674442536 /nfs/dbraw/zinc/44/25/36/674442536.db2.gz UELYPNKKWYROOL-UHFFFAOYSA-N -1 1 351.449 2.427 20 0 FEADMM CC(C)c1nc2n(n1)C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000735942012 598787022 /nfs/dbraw/zinc/78/70/22/598787022.db2.gz AITHSVISFWQOJC-SSDOTTSWSA-N -1 1 365.854 2.118 20 0 FEADMM CC(C)c1nc2n(n1)C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000735942012 598787024 /nfs/dbraw/zinc/78/70/24/598787024.db2.gz AITHSVISFWQOJC-SSDOTTSWSA-N -1 1 365.854 2.118 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000737343209 599334670 /nfs/dbraw/zinc/33/46/70/599334670.db2.gz XIKZVOVLGJTZMY-UHFFFAOYSA-N -1 1 367.818 2.242 20 0 FEADMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)NC(=S)N1c1ccccc1Cl ZINC000823503120 599380175 /nfs/dbraw/zinc/38/01/75/599380175.db2.gz BRQLJJXYAZRASG-JXMROGBWSA-N -1 1 372.797 2.375 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)NC(=S)N1c1ccccc1Cl ZINC000823503120 599380176 /nfs/dbraw/zinc/38/01/76/599380176.db2.gz BRQLJJXYAZRASG-JXMROGBWSA-N -1 1 372.797 2.375 20 0 FEADMM CN(C(=O)OC(C)(C)C)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736747681 599434266 /nfs/dbraw/zinc/43/42/66/599434266.db2.gz GMFWGUNOYUHECY-UHFFFAOYSA-N -1 1 359.434 2.097 20 0 FEADMM CN(C(=O)OC(C)(C)C)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736747681 599434268 /nfs/dbraw/zinc/43/42/68/599434268.db2.gz GMFWGUNOYUHECY-UHFFFAOYSA-N -1 1 359.434 2.097 20 0 FEADMM O=C(COc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)N1CCCC1 ZINC000823044620 599455618 /nfs/dbraw/zinc/45/56/18/599455618.db2.gz XMZUGWIDLKQQBJ-UHFFFAOYSA-N -1 1 368.397 2.073 20 0 FEADMM O=C(COc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)N1CCCC1 ZINC000823044620 599455621 /nfs/dbraw/zinc/45/56/21/599455621.db2.gz XMZUGWIDLKQQBJ-UHFFFAOYSA-N -1 1 368.397 2.073 20 0 FEADMM CN(Cc1ccccc1)C(=O)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821614536 599485446 /nfs/dbraw/zinc/48/54/46/599485446.db2.gz KCJPKDRVMNVONM-UHFFFAOYSA-N -1 1 373.420 2.485 20 0 FEADMM CN(Cc1ccccc1)C(=O)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821614536 599485447 /nfs/dbraw/zinc/48/54/47/599485447.db2.gz KCJPKDRVMNVONM-UHFFFAOYSA-N -1 1 373.420 2.485 20 0 FEADMM CC(C)(O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819992265 599496208 /nfs/dbraw/zinc/49/62/08/599496208.db2.gz TXQQSRPIDIIJAZ-UHFFFAOYSA-N -1 1 371.372 2.299 20 0 FEADMM CC(C)(O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819992265 599496212 /nfs/dbraw/zinc/49/62/12/599496212.db2.gz TXQQSRPIDIIJAZ-UHFFFAOYSA-N -1 1 371.372 2.299 20 0 FEADMM Cc1ccc2nc(Cn3cc(-c4nnn[n-]4)c(=O)c4ccccc43)cn2c1 ZINC000737373456 599522950 /nfs/dbraw/zinc/52/29/50/599522950.db2.gz HSZWHNHBXVKOBN-UHFFFAOYSA-N -1 1 357.377 2.186 20 0 FEADMM Cc1ccc2nc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)cn2c1 ZINC000737373456 599522952 /nfs/dbraw/zinc/52/29/52/599522952.db2.gz HSZWHNHBXVKOBN-UHFFFAOYSA-N -1 1 357.377 2.186 20 0 FEADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557786349 674466709 /nfs/dbraw/zinc/46/67/09/674466709.db2.gz HTXAVRRFGPQGHF-VIFPVBQESA-N -1 1 366.386 2.482 20 0 FEADMM CN(C)[C@H](CNC(=O)C(=O)[N-]OC1CCCCC1)c1ccc(Cl)cc1 ZINC000808719565 674469525 /nfs/dbraw/zinc/46/95/25/674469525.db2.gz XYFQOQTWESERHH-MRXNPFEDSA-N -1 1 367.877 2.439 20 0 FEADMM O=c1[n-]c([C@@H]2CCCN(C[C@H](O)c3cccc(C(F)(F)F)c3)C2)n[nH]1 ZINC000808777447 674472128 /nfs/dbraw/zinc/47/21/28/674472128.db2.gz NOCCRDLZSSSXMJ-YPMHNXCESA-N -1 1 356.348 2.442 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3cc(Br)ncc3Cl)ccnc1-2 ZINC000808783665 674472374 /nfs/dbraw/zinc/47/23/74/674472374.db2.gz GOFUHYNIAXIQNR-UHFFFAOYSA-N -1 1 366.606 2.405 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)CCCN(C)C(=O)[O-])N1CCCC1 ZINC000738121401 599725383 /nfs/dbraw/zinc/72/53/83/599725383.db2.gz QXJLEKLSSFEESA-MRXNPFEDSA-N -1 1 363.458 2.338 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)o1 ZINC000740177614 599740430 /nfs/dbraw/zinc/74/04/30/599740430.db2.gz MVBSSGFIUDHVIB-UHFFFAOYSA-N -1 1 351.315 2.103 20 0 FEADMM Cc1ccccc1[C@@]1(C)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000738760663 599808884 /nfs/dbraw/zinc/80/88/84/599808884.db2.gz JPNAMPWUYSKAAI-IFXJQAMLSA-N -1 1 359.426 2.049 20 0 FEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccccc1N1CCCC1=O ZINC000740239760 599876126 /nfs/dbraw/zinc/87/61/26/599876126.db2.gz FTSJWJRYTKNWSY-UHFFFAOYSA-N -1 1 360.391 2.312 20 0 FEADMM C[C@@](NCc1cc(=O)c(O)co1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736664705 600208423 /nfs/dbraw/zinc/20/84/23/600208423.db2.gz QZCCUUPBBRBJNS-HNNXBMFYSA-N -1 1 368.183 2.198 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736159813 600228958 /nfs/dbraw/zinc/22/89/58/600228958.db2.gz MLNISZXCCZHVTB-UHFFFAOYSA-N -1 1 370.333 2.422 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(F)c1 ZINC000737700246 600236393 /nfs/dbraw/zinc/23/63/93/600236393.db2.gz PEQIFKAPCRVDEB-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM C[C@@H](C(=O)NCCSCC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000736216000 600251808 /nfs/dbraw/zinc/25/18/08/600251808.db2.gz SMBZBPRMYLIPSX-HNNXBMFYSA-N -1 1 364.511 2.264 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cnc1Cl ZINC000738477091 600299376 /nfs/dbraw/zinc/29/93/76/600299376.db2.gz KTQJEGLZVMBXHJ-UHFFFAOYSA-N -1 1 356.787 2.308 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738047633 600302159 /nfs/dbraw/zinc/30/21/59/600302159.db2.gz LKGPUNMCGQOHDQ-UHFFFAOYSA-N -1 1 366.395 2.272 20 0 FEADMM CN(C1CCN(C)CC1)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000324684692 600310708 /nfs/dbraw/zinc/31/07/08/600310708.db2.gz SAPLAYSSFTXMQZ-UHFFFAOYSA-N -1 1 368.480 2.314 20 0 FEADMM O=C([O-])C1(NCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000739308664 600320017 /nfs/dbraw/zinc/32/00/17/600320017.db2.gz SLAAGIHZWDXKEN-MRXNPFEDSA-N -1 1 364.417 2.103 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000738545163 600335666 /nfs/dbraw/zinc/33/56/66/600335666.db2.gz JXJNGJRULXRJKJ-OAHLLOKOSA-N -1 1 350.846 2.453 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCN1CCOC ZINC000736941584 600339022 /nfs/dbraw/zinc/33/90/22/600339022.db2.gz YWROXXIIGDYUON-KRWDZBQOSA-N -1 1 363.458 2.278 20 0 FEADMM COc1ccc(-c2csc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000737912564 600369491 /nfs/dbraw/zinc/36/94/91/600369491.db2.gz RURVEWDHPGTADR-NSHDSACASA-N -1 1 363.439 2.410 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)[O-])cc1 ZINC000738295984 600452963 /nfs/dbraw/zinc/45/29/63/600452963.db2.gz SPLNWPSFTZEBAI-LBPRGKRZSA-N -1 1 363.391 2.426 20 0 FEADMM O=C([O-])CCN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H]1CCCO1 ZINC000739718835 600514773 /nfs/dbraw/zinc/51/47/73/600514773.db2.gz OAESJXIELRZNCU-ULQDDVLXSA-N -1 1 352.475 2.123 20 0 FEADMM C[C@H](O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000736677735 600515948 /nfs/dbraw/zinc/51/59/48/600515948.db2.gz OZQBQVICJFCDFR-ZDUSSCGKSA-N -1 1 361.467 2.007 20 0 FEADMM Cc1c(C)c(C)c(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c(C)c1C ZINC000324539508 600529335 /nfs/dbraw/zinc/52/93/35/600529335.db2.gz JLWCSCUOOIGOPC-UHFFFAOYSA-N -1 1 351.428 2.311 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)c1c(F)cc(O)cc1F ZINC000738528068 600581104 /nfs/dbraw/zinc/58/11/04/600581104.db2.gz JZFLMIXKIMDDQB-UHFFFAOYSA-N -1 1 365.288 2.473 20 0 FEADMM Cc1ccc(CN2CCCN(C(=O)CSC[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000738598969 600602292 /nfs/dbraw/zinc/60/22/92/600602292.db2.gz ZQLJGMUBCBOLLJ-MRXNPFEDSA-N -1 1 364.511 2.483 20 0 FEADMM O=C([O-])COc1cccc(CNC(=O)c2c[nH]c(-c3ccccc3)n2)c1 ZINC000739834153 600641729 /nfs/dbraw/zinc/64/17/29/600641729.db2.gz GUCNATSQHVLMJS-UHFFFAOYSA-N -1 1 351.362 2.470 20 0 FEADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000736763342 600666928 /nfs/dbraw/zinc/66/69/28/600666928.db2.gz WWLNNPFVYSMLGH-ZIAGYGMSSA-N -1 1 361.442 2.033 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cs1 ZINC000547883268 600671374 /nfs/dbraw/zinc/67/13/74/600671374.db2.gz NTQNPOSVEURFGL-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000324737044 600774962 /nfs/dbraw/zinc/77/49/62/600774962.db2.gz LRUUBBSKMCBNGK-LLVKDONJSA-N -1 1 359.325 2.251 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)[nH]c2c1 ZINC000832958814 600792190 /nfs/dbraw/zinc/79/21/90/600792190.db2.gz KQLMCCCWCCQNTG-UHFFFAOYSA-N -1 1 359.407 2.356 20 0 FEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000828424023 600792532 /nfs/dbraw/zinc/79/25/32/600792532.db2.gz NWRSZPLXNUELIG-YGRLFVJLSA-N -1 1 360.863 2.045 20 0 FEADMM CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737368963 600797256 /nfs/dbraw/zinc/79/72/56/600797256.db2.gz BZORZQHMYWEBSV-UHFFFAOYSA-N -1 1 358.460 2.110 20 0 FEADMM Cc1sc(NC(=O)CN2CCN3CCCC[C@@H]3C2)c(C(=O)[O-])c1C ZINC000833037111 600827271 /nfs/dbraw/zinc/82/72/71/600827271.db2.gz WICVDLKXOKUCOU-CYBMUJFWSA-N -1 1 351.472 2.172 20 0 FEADMM O=C([O-])c1c(NC(=O)CN2CCC[C@@H]2CCCO)sc2c1CCC2 ZINC000738465798 600955977 /nfs/dbraw/zinc/95/59/77/600955977.db2.gz MGCJNVJLTQJOAR-LLVKDONJSA-N -1 1 352.456 2.110 20 0 FEADMM CC[C@@](C)(NC[C@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000828693074 601015724 /nfs/dbraw/zinc/01/57/24/601015724.db2.gz QNVAREZLTFLBSJ-SUMWQHHRSA-N -1 1 350.440 2.496 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832704044 601072838 /nfs/dbraw/zinc/07/28/38/601072838.db2.gz TVISEYAONJLVFN-CQSZACIVSA-N -1 1 367.354 2.180 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000827356490 601087106 /nfs/dbraw/zinc/08/71/06/601087106.db2.gz SPWOQYMLFIZJBO-JOAKQRRISA-N -1 1 371.231 2.063 20 0 FEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c2c(n1)onc2C(C)C ZINC000832861970 601088755 /nfs/dbraw/zinc/08/87/55/601088755.db2.gz QEXHRNMBNVHWLF-ZDUSSCGKSA-N -1 1 374.441 2.276 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000630224853 601089014 /nfs/dbraw/zinc/08/90/14/601089014.db2.gz PKKAXEAPZYFIED-CQSZACIVSA-N -1 1 367.449 2.345 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832928418 601091428 /nfs/dbraw/zinc/09/14/28/601091428.db2.gz RBNWBRWITVJXOZ-QRFRQXIXSA-N -1 1 374.481 2.470 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000630222563 601098075 /nfs/dbraw/zinc/09/80/75/601098075.db2.gz FXTSDWFDZSCICG-QWHCGFSZSA-N -1 1 350.484 2.494 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)CC1 ZINC000827362138 601098156 /nfs/dbraw/zinc/09/81/56/601098156.db2.gz IWFXDHXUPQZUMW-LBPRGKRZSA-N -1 1 372.824 2.255 20 0 FEADMM CCC(CC)c1nnc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)s1 ZINC000828870881 601126708 /nfs/dbraw/zinc/12/67/08/601126708.db2.gz ZGWDGJKBGBGBKR-NSHDSACASA-N -1 1 369.491 2.454 20 0 FEADMM CN(CCNC(=O)NCCc1ccc(C(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000830785181 601195361 /nfs/dbraw/zinc/19/53/61/601195361.db2.gz JYUYKJDODAKOSA-UHFFFAOYSA-N -1 1 373.428 2.498 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1 ZINC000833185802 601210107 /nfs/dbraw/zinc/21/01/07/601210107.db2.gz JAXRKEAFCQGDPG-CHWSQXEVSA-N -1 1 372.425 2.229 20 0 FEADMM COc1cccc([C@@H](CNC(=O)c2ccnc(C(=O)[O-])c2)N2CCCC2)c1 ZINC000832534151 601242227 /nfs/dbraw/zinc/24/22/27/601242227.db2.gz VBMPTOCMTFXUAQ-GOSISDBHSA-N -1 1 369.421 2.355 20 0 FEADMM O=C([O-])c1nn(CN2CCC(OC[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000833347030 601342972 /nfs/dbraw/zinc/34/29/72/601342972.db2.gz RMYVSUXISRJQPJ-HNNXBMFYSA-N -1 1 359.426 2.352 20 0 FEADMM COC[C@](C)(CC(=O)[O-])NCc1cc2c(cc1Br)OCO2 ZINC000831579213 601486881 /nfs/dbraw/zinc/48/68/81/601486881.db2.gz XMUTYRGANMNIGJ-AWEZNQCLSA-N -1 1 360.204 2.147 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223831130 601506178 /nfs/dbraw/zinc/50/61/78/601506178.db2.gz FROOUJIIIHQIBD-JQWIXIFHSA-N -1 1 355.232 2.349 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832891459 601526483 /nfs/dbraw/zinc/52/64/83/601526483.db2.gz UNINDBFTMQUUOV-UHFFFAOYSA-N -1 1 371.441 2.428 20 0 FEADMM C[C@@H]1CN(CC(=O)N[C@H](c2nccs2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828433439 601536871 /nfs/dbraw/zinc/53/68/71/601536871.db2.gz VAHNSENQKTXUTP-INWMFGNUSA-N -1 1 359.451 2.001 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000832891500 601548444 /nfs/dbraw/zinc/54/84/44/601548444.db2.gz VJLPYKRLCORWAW-KRWDZBQOSA-N -1 1 360.458 2.122 20 0 FEADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827940262 601614842 /nfs/dbraw/zinc/61/48/42/601614842.db2.gz GBNYGLSGZIVEHJ-NSHDSACASA-N -1 1 366.414 2.364 20 0 FEADMM Cc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832862304 601674856 /nfs/dbraw/zinc/67/48/56/601674856.db2.gz YYBCKKJNDAHRJL-UHFFFAOYSA-N -1 1 360.454 2.467 20 0 FEADMM CCCc1nc([C@H]2CN(C(=O)Nc3cccc(NC(=O)[O-])c3)CCO2)n[nH]1 ZINC000829571443 601781461 /nfs/dbraw/zinc/78/14/61/601781461.db2.gz RXIZBMFOOLVDKV-CYBMUJFWSA-N -1 1 374.401 2.453 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3cccc(NC(=O)[O-])c3)CCO2)n1 ZINC000829571443 601781463 /nfs/dbraw/zinc/78/14/63/601781463.db2.gz RXIZBMFOOLVDKV-CYBMUJFWSA-N -1 1 374.401 2.453 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000829570523 601796528 /nfs/dbraw/zinc/79/65/28/601796528.db2.gz GEZFZVBUQJXDLF-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CCO2)n1 ZINC000829570523 601796531 /nfs/dbraw/zinc/79/65/31/601796531.db2.gz GEZFZVBUQJXDLF-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000826487588 607531605 /nfs/dbraw/zinc/53/16/05/607531605.db2.gz SSLLMLKKEUPXKB-UHFFFAOYSA-N -1 1 351.391 2.389 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000826487588 607531606 /nfs/dbraw/zinc/53/16/06/607531606.db2.gz SSLLMLKKEUPXKB-UHFFFAOYSA-N -1 1 351.391 2.389 20 0 FEADMM CN(Cc1cccc(C(N)=O)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830844538 601903289 /nfs/dbraw/zinc/90/32/89/601903289.db2.gz CNMYEKCYZKLCLB-HNNXBMFYSA-N -1 1 352.312 2.461 20 0 FEADMM CC[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000739262756 601944518 /nfs/dbraw/zinc/94/45/18/601944518.db2.gz MDNLPOLUKYICIO-SWLSCSKDSA-N -1 1 353.850 2.497 20 0 FEADMM CC(C)[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1ccc(F)cc1 ZINC000738786649 601946670 /nfs/dbraw/zinc/94/66/70/601946670.db2.gz BNKYJSPIULJSBX-SUMWQHHRSA-N -1 1 351.422 2.229 20 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ZINC000739039975 601991039 /nfs/dbraw/zinc/99/10/39/601991039.db2.gz PEELDJHSJQYWST-RKDXNWHRSA-N -1 1 366.361 2.161 20 0 FEADMM CS(=O)(=O)Nc1cc(F)ccc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832699698 602004028 /nfs/dbraw/zinc/00/40/28/602004028.db2.gz OMXMJKDWRVWFNE-UHFFFAOYSA-N -1 1 373.383 2.314 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000738261714 602019881 /nfs/dbraw/zinc/01/98/81/602019881.db2.gz PRGDFGLNBWWKAN-HNNXBMFYSA-N -1 1 364.446 2.120 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000738261715 602020227 /nfs/dbraw/zinc/02/02/27/602020227.db2.gz PRGDFGLNBWWKAN-OAHLLOKOSA-N -1 1 364.446 2.120 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)N2CCCC2)o1 ZINC000740117682 602020973 /nfs/dbraw/zinc/02/09/73/602020973.db2.gz LJYMQNNEBSWBSV-OAHLLOKOSA-N -1 1 364.446 2.167 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739608633 602061584 /nfs/dbraw/zinc/06/15/84/602061584.db2.gz QBYTVRIHOUAWJT-JKSUJKDBSA-N 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ZINC000739977458 602275096 /nfs/dbraw/zinc/27/50/96/602275096.db2.gz ZZCSBFIDLWGXEB-GOEBONIOSA-N -1 1 363.458 2.164 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)OC ZINC000558480363 674499139 /nfs/dbraw/zinc/49/91/39/674499139.db2.gz GKTFCEYVRISAFB-ZETCQYMHSA-N -1 1 358.204 2.431 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCN(C(=O)[O-])C(C)C ZINC000740079841 602342435 /nfs/dbraw/zinc/34/24/35/602342435.db2.gz KJKQOWMHPGZZFU-UHFFFAOYSA-N -1 1 362.474 2.464 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)C3CCC(NC(=O)[O-])CC3)cc2)CC1 ZINC000739736943 602393859 /nfs/dbraw/zinc/39/38/59/602393859.db2.gz KAWVHCGGMYQLIB-UHFFFAOYSA-N -1 1 374.485 2.199 20 0 FEADMM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000558503800 674500782 /nfs/dbraw/zinc/50/07/82/674500782.db2.gz DBWBOVUXUYXQAX-OAHLLOKOSA-N -1 1 357.801 2.342 20 0 FEADMM O=C([O-])Nc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)ccc1F ZINC000740693382 602501112 /nfs/dbraw/zinc/50/11/12/602501112.db2.gz XFXIFMFVWOZDOK-UHFFFAOYSA-N -1 1 365.405 2.100 20 0 FEADMM CN(C[C@@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1)C(=O)[O-] ZINC000739663605 602537723 /nfs/dbraw/zinc/53/77/23/602537723.db2.gz DVIICSVGAHRBEP-FZMZJTMJSA-N -1 1 357.248 2.414 20 0 FEADMM CN(C[C@H]1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1)C(=O)[O-] ZINC000739660877 602538724 /nfs/dbraw/zinc/53/87/24/602538724.db2.gz QZSLPWQFZRPLAC-LJQANCHMSA-N -1 1 373.497 2.399 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@H](CN(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000738953338 602539352 /nfs/dbraw/zinc/53/93/52/602539352.db2.gz PSPQGXARDMAIFJ-MELADBBJSA-N -1 1 351.422 2.323 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739057697 602542754 /nfs/dbraw/zinc/54/27/54/602542754.db2.gz MTEHXZATKBMYQT-CHWSQXEVSA-N -1 1 369.412 2.416 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccco1 ZINC000737845736 602562162 /nfs/dbraw/zinc/56/21/62/602562162.db2.gz IZTJGKATHRMYNH-HNNXBMFYSA-N -1 1 366.462 2.446 20 0 FEADMM CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825394697 607573483 /nfs/dbraw/zinc/57/34/83/607573483.db2.gz GUYKABOXMQWDIE-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM CCN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825395173 607573830 /nfs/dbraw/zinc/57/38/30/607573830.db2.gz LYAHUKQGFPHZAF-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM CCN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825395173 607573831 /nfs/dbraw/zinc/57/38/31/607573831.db2.gz LYAHUKQGFPHZAF-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM CN(CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000739628812 602570182 /nfs/dbraw/zinc/57/01/82/602570182.db2.gz QPHNCNXEUKHURO-UHFFFAOYSA-N -1 1 363.395 2.036 20 0 FEADMM O=S(=O)(N[C@@H]1CCCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488676 607574171 /nfs/dbraw/zinc/57/41/71/607574171.db2.gz WGJLORKLBSDKMX-CQSZACIVSA-N -1 1 373.413 2.362 20 0 FEADMM O=S(=O)(N[C@@H]1CCCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488676 607574172 /nfs/dbraw/zinc/57/41/72/607574172.db2.gz WGJLORKLBSDKMX-CQSZACIVSA-N -1 1 373.413 2.362 20 0 FEADMM O=S(=O)(NC1CCCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488219 607574199 /nfs/dbraw/zinc/57/41/99/607574199.db2.gz KUYKMPYLTMFEAU-UHFFFAOYSA-N -1 1 361.349 2.106 20 0 FEADMM CCOc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825643743 607575459 /nfs/dbraw/zinc/57/54/59/607575459.db2.gz STFDKLQJZQMUSP-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCOc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825643743 607575461 /nfs/dbraw/zinc/57/54/61/607575461.db2.gz STFDKLQJZQMUSP-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CC(C)[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000738785286 602601436 /nfs/dbraw/zinc/60/14/36/602601436.db2.gz RGICVRRZMHSNIR-INIZCTEOSA-N -1 1 363.462 2.170 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCN1C(=O)[O-])c1ccco1 ZINC000739405774 602612843 /nfs/dbraw/zinc/61/28/43/602612843.db2.gz CYBPMZVJWHMFMX-KGLIPLIRSA-N -1 1 352.435 2.104 20 0 FEADMM O=C([O-])NC[C@H](NC(=O)N1CCN2CCCC[C@@H]2C1)C1CCCCC1 ZINC000740614698 602639918 /nfs/dbraw/zinc/63/99/18/602639918.db2.gz UOWBZLCBAQEHNW-CVEARBPZSA-N -1 1 352.479 2.083 20 0 FEADMM C[C@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738984009 602665158 /nfs/dbraw/zinc/66/51/58/602665158.db2.gz VOULJYYRONMBFH-GXTWGEPZSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738984009 602665159 /nfs/dbraw/zinc/66/51/59/602665159.db2.gz VOULJYYRONMBFH-GXTWGEPZSA-N -1 1 372.429 2.049 20 0 FEADMM CC(C)(C)CCN1CCN(C(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000738697481 602708775 /nfs/dbraw/zinc/70/87/75/602708775.db2.gz UTZPZMVFHFPREP-UHFFFAOYSA-N -1 1 354.476 2.105 20 0 FEADMM CCCCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825281839 607585331 /nfs/dbraw/zinc/58/53/31/607585331.db2.gz KCVVZABTKBUOFJ-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM CCCCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825281839 607585332 /nfs/dbraw/zinc/58/53/32/607585332.db2.gz KCVVZABTKBUOFJ-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)C2CC2)cc1 ZINC000740122657 602787340 /nfs/dbraw/zinc/78/73/40/602787340.db2.gz RYLOWGCDDZPVTQ-YJBOKZPZSA-N -1 1 359.470 2.464 20 0 FEADMM C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178475 602788173 /nfs/dbraw/zinc/78/81/73/602788173.db2.gz QUGAZCGYJLEZST-CPQCNAJYSA-N -1 1 363.502 2.438 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)NC(=O)[O-] ZINC000738785805 602830162 /nfs/dbraw/zinc/83/01/62/602830162.db2.gz JMJZCKJVWJPUAV-LSDHHAIUSA-N -1 1 354.426 2.020 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739132735 602930567 /nfs/dbraw/zinc/93/05/67/602930567.db2.gz GECIGFZGJVXEBS-UHOFOFEASA-N -1 1 366.437 2.116 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739141250 602955579 /nfs/dbraw/zinc/95/55/79/602955579.db2.gz XVORFCRRKXJLKX-XJKCOSOUSA-N -1 1 366.437 2.211 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739137007 602959891 /nfs/dbraw/zinc/95/98/91/602959891.db2.gz PEPYAXMKWVIMGX-XJKCOSOUSA-N -1 1 366.437 2.211 20 0 FEADMM O=C([O-])N1CC[C@H](CN2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000740503579 602978187 /nfs/dbraw/zinc/97/81/87/602978187.db2.gz OGELAUAWUHPSTF-OAHLLOKOSA-N -1 1 367.877 2.336 20 0 FEADMM Cc1cccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n1 ZINC000740162570 603059312 /nfs/dbraw/zinc/05/93/12/603059312.db2.gz NMULELOGPXRKSU-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM Cc1cccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n1 ZINC000740162570 603059316 /nfs/dbraw/zinc/05/93/16/603059316.db2.gz NMULELOGPXRKSU-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM O=C(Cc1ccccc1OC(F)F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826424068 607607535 /nfs/dbraw/zinc/60/75/35/607607535.db2.gz UOAWFTJYQQNZTB-UHFFFAOYSA-N -1 1 361.308 2.149 20 0 FEADMM O=C(Cc1ccccc1OC(F)F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826424068 607607536 /nfs/dbraw/zinc/60/75/36/607607536.db2.gz UOAWFTJYQQNZTB-UHFFFAOYSA-N -1 1 361.308 2.149 20 0 FEADMM O=C([O-])N[C@H](CNS(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000832140646 603143865 /nfs/dbraw/zinc/14/38/65/603143865.db2.gz MIESDWSQDLDVMV-CYBMUJFWSA-N -1 1 356.350 2.252 20 0 FEADMM O=C([O-])N1CCC[C@@H](NC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000739389468 603206577 /nfs/dbraw/zinc/20/65/77/603206577.db2.gz UDWOTXOJRHONST-SECBINFHSA-N -1 1 367.203 2.198 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000830086002 603233368 /nfs/dbraw/zinc/23/33/68/603233368.db2.gz WRSROLCRGOWUJI-UHFFFAOYSA-N -1 1 372.425 2.360 20 0 FEADMM O=C([O-])N1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000740397110 603267540 /nfs/dbraw/zinc/26/75/40/603267540.db2.gz CIYVJDIOBLNVTG-CQSZACIVSA-N -1 1 365.861 2.421 20 0 FEADMM COCCN1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739834422 603288190 /nfs/dbraw/zinc/28/81/90/603288190.db2.gz NKPBIMNUHTXSHM-UHFFFAOYSA-N -1 1 355.822 2.224 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000737085653 603296594 /nfs/dbraw/zinc/29/65/94/603296594.db2.gz PGLGASAJNSFCMR-UONOGXRCSA-N -1 1 352.435 2.104 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CCN1CCOC ZINC000739282294 603330653 /nfs/dbraw/zinc/33/06/53/603330653.db2.gz ZQBHCZZRLNJPTK-INIZCTEOSA-N -1 1 364.446 2.029 20 0 FEADMM CCN(CC(=O)Nc1ccc(CN2CCSCC2)cc1C)C(=O)[O-] ZINC000739396011 603386602 /nfs/dbraw/zinc/38/66/02/603386602.db2.gz LYWMNWOXYMJNET-UHFFFAOYSA-N -1 1 351.472 2.482 20 0 FEADMM C[C@@H](C(=O)N(C)C1CCC(NC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000823656306 603485270 /nfs/dbraw/zinc/48/52/70/603485270.db2.gz YKEHXBOFLCZXGG-NNGSBXSVSA-N -1 1 359.470 2.470 20 0 FEADMM CN(CC(C)(C)CNC(=O)[O-])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000828154928 603495666 /nfs/dbraw/zinc/49/56/66/603495666.db2.gz RKHWZMJXAQHOSQ-ZDUSSCGKSA-N -1 1 355.385 2.296 20 0 FEADMM O=C([O-])N[C@H](CC(=O)Nc1cnn(-c2ccncc2)c1)Cc1ccccc1 ZINC000832113793 603555638 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ZINC000832510504 604276935 /nfs/dbraw/zinc/27/69/35/604276935.db2.gz RFMJUMIFVQMWRS-AWEZNQCLSA-N -1 1 355.394 2.412 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c(C(F)(F)F)n1 ZINC000559054741 674525825 /nfs/dbraw/zinc/52/58/25/674525825.db2.gz VRKBKJYEDZMKQF-UHFFFAOYSA-N -1 1 366.390 2.251 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])n[nH]2)cc1 ZINC000832112712 604450027 /nfs/dbraw/zinc/45/00/27/604450027.db2.gz WWQDXTHIKJOHEQ-INIZCTEOSA-N -1 1 361.398 2.036 20 0 FEADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833387409 604479331 /nfs/dbraw/zinc/47/93/31/604479331.db2.gz BJRRWPWNOSQVRZ-KRWDZBQOSA-N -1 1 360.454 2.070 20 0 FEADMM COC(=O)c1ccc(N2CCN(Cc3c[nH]c(C(=O)[O-])c3)[C@H](C)C2)cc1 ZINC000833715833 604621658 /nfs/dbraw/zinc/62/16/58/604621658.db2.gz GLIQQQKSDYSIMO-CYBMUJFWSA-N -1 1 357.410 2.210 20 0 FEADMM C[C@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N)C(=O)[O-] ZINC000818071228 604756250 /nfs/dbraw/zinc/75/62/50/604756250.db2.gz KKAQZGMXEMIOCL-ZETCQYMHSA-N -1 1 364.818 2.268 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000825977659 604798133 /nfs/dbraw/zinc/79/81/33/604798133.db2.gz LUVWNLQYTPJHKB-QAPCUYQASA-N -1 1 359.470 2.275 20 0 FEADMM CCCN1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000829502275 604908067 /nfs/dbraw/zinc/90/80/67/604908067.db2.gz PFAMLGVHLSYXSF-UHFFFAOYSA-N -1 1 355.822 2.363 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833549919 604941004 /nfs/dbraw/zinc/94/10/04/604941004.db2.gz INEJCYOCJGLSKM-CYBMUJFWSA-N -1 1 354.410 2.130 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n[nH]1 ZINC000833511750 605003223 /nfs/dbraw/zinc/00/32/23/605003223.db2.gz CDECRDLKRBCWLB-QMMMGPOBSA-N -1 1 372.834 2.319 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833488196 605019602 /nfs/dbraw/zinc/01/96/02/605019602.db2.gz MOMUSJMTAJTOJI-UHFFFAOYSA-N -1 1 360.501 2.187 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1cccc(Cl)c1 ZINC000833626256 605047854 /nfs/dbraw/zinc/04/78/54/605047854.db2.gz PJSIDNXUAIIIJO-AWEZNQCLSA-N -1 1 367.877 2.463 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000833625565 605048454 /nfs/dbraw/zinc/04/84/54/605048454.db2.gz NFTALBZTPLSDAK-LLVKDONJSA-N -1 1 357.813 2.170 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000833626813 605053426 /nfs/dbraw/zinc/05/34/26/605053426.db2.gz RJKWDCDABKRKCX-INMHGKMJSA-N -1 1 369.506 2.018 20 0 FEADMM C[C@H](Oc1cccc(CO)c1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833541859 605058504 /nfs/dbraw/zinc/05/85/04/605058504.db2.gz WIRXGBGERZOFBJ-JTQLQIEISA-N -1 1 355.350 2.159 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)[nH]c21 ZINC000833716824 605058927 /nfs/dbraw/zinc/05/89/27/605058927.db2.gz RHINYJYYBLRYCH-UHFFFAOYSA-N -1 1 356.338 2.245 20 0 FEADMM CC(C)(CN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)NS(C)(=O)=O ZINC000833458120 605063739 /nfs/dbraw/zinc/06/37/39/605063739.db2.gz DGGZVPNKWZQFQV-NSHDSACASA-N -1 1 369.270 2.037 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000833621240 605103111 /nfs/dbraw/zinc/10/31/11/605103111.db2.gz MWQJIOSPVNKJFI-USEMIUTHSA-N -1 1 371.231 2.063 20 0 FEADMM COc1ccc2oc(C)c(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)c2c1 ZINC000833734683 605112977 /nfs/dbraw/zinc/11/29/77/605112977.db2.gz BZTYZEUZCPYVMG-GFCCVEGCSA-N -1 1 360.410 2.371 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1C1CC1 ZINC000833494821 605157358 /nfs/dbraw/zinc/15/73/58/605157358.db2.gz NVVQWIWZSHYBBC-CQSZACIVSA-N -1 1 362.474 2.038 20 0 FEADMM CC(C)c1nnc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)s1 ZINC000824511646 605157804 /nfs/dbraw/zinc/15/78/04/605157804.db2.gz ZRWJNBLYIVHNKJ-UHFFFAOYSA-N -1 1 355.464 2.111 20 0 FEADMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CCN1C ZINC000833598690 605175487 /nfs/dbraw/zinc/17/54/87/605175487.db2.gz WRBGRTYHXMDELQ-ZYHUDNBSSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1nc(COC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)n[nH]1 ZINC000830760578 605263346 /nfs/dbraw/zinc/26/33/46/605263346.db2.gz DYXLBKQXXSDBHZ-UHFFFAOYSA-N -1 1 357.370 2.083 20 0 FEADMM C[C@@]1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000833566711 605273143 /nfs/dbraw/zinc/27/31/43/605273143.db2.gz DZUOFHCCLAHOME-GHTZIAJQSA-N -1 1 373.497 2.348 20 0 FEADMM COc1ccc2oc(C)c(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)c2c1 ZINC000833734889 605279531 /nfs/dbraw/zinc/27/95/31/605279531.db2.gz JKQGGEHRWXQJAQ-GFCCVEGCSA-N -1 1 360.410 2.371 20 0 FEADMM COC(=O)c1ccc(N2CCN(C[C@H]3CC(C(=O)[O-])=C(C)O3)[C@@H](C)C2)cc1 ZINC000833716224 605331564 /nfs/dbraw/zinc/33/15/64/605331564.db2.gz WIQVXGHPIBPFBY-SUMWQHHRSA-N -1 1 374.437 2.131 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])[nH]n1 ZINC000831031180 605337264 /nfs/dbraw/zinc/33/72/64/605337264.db2.gz LJRCFGSKHPTPQH-NEPJUHHUSA-N -1 1 360.418 2.355 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000833814128 605491238 /nfs/dbraw/zinc/49/12/38/605491238.db2.gz COSCWAVJYQOWKX-HLLBOEOZSA-N -1 1 374.485 2.121 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000825825051 605549370 /nfs/dbraw/zinc/54/93/70/605549370.db2.gz XBPSIJLMVXVSQC-IUODEOHRSA-N -1 1 366.437 2.217 20 0 FEADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000833919440 605578449 /nfs/dbraw/zinc/57/84/49/605578449.db2.gz KDGPLRSSHYXGQT-OAHLLOKOSA-N -1 1 366.462 2.026 20 0 FEADMM COC(=O)CCN(Cc1cccc2c1N(C(=O)[O-])CC2)C[C@@H]1CCCO1 ZINC000833880129 605606049 /nfs/dbraw/zinc/60/60/49/605606049.db2.gz UASKJZVVQWBUOL-INIZCTEOSA-N -1 1 362.426 2.271 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)[nH]n1 ZINC000833953900 605630899 /nfs/dbraw/zinc/63/08/99/605630899.db2.gz DSDRVERQJLNSPA-LBPRGKRZSA-N -1 1 354.370 2.148 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)NCCN1CCC1)c1ccc2ccccc2c1 ZINC000834208740 605670100 /nfs/dbraw/zinc/67/01/00/605670100.db2.gz ZLXUWBRNRSUZQZ-QGZVFWFLSA-N -1 1 356.426 2.153 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000834107348 605725320 /nfs/dbraw/zinc/72/53/20/605725320.db2.gz MOXODFNIRVPOLC-HOCLYGCPSA-N -1 1 356.430 2.152 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)n[nH]2)c1 ZINC000829531347 605748712 /nfs/dbraw/zinc/74/87/12/605748712.db2.gz IGDSMMOTAGWRLE-DGCLKSJQSA-N -1 1 358.398 2.346 20 0 FEADMM O=C([O-])N[C@@H]1C[C@@H](NCc2cccnc2N2CCOCC2)c2ccccc21 ZINC000834157223 605791980 /nfs/dbraw/zinc/79/19/80/605791980.db2.gz HCORTKBABZEPHJ-QZTJIDSGSA-N -1 1 368.437 2.462 20 0 FEADMM O=C([O-])N1CCC2(CCN(CC(=O)N3CCCc4ccccc43)C2)CC1 ZINC000834094609 605903496 /nfs/dbraw/zinc/90/34/96/605903496.db2.gz SWCHFAZDGQZSSS-UHFFFAOYSA-N -1 1 357.454 2.432 20 0 FEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000833833428 605908032 /nfs/dbraw/zinc/90/80/32/605908032.db2.gz XWSDMVIFXSJJDZ-GJZGRUSLSA-N -1 1 360.458 2.203 20 0 FEADMM C[C@@H](C[C@H]1CCCCCN1C(=O)[O-])NCc1nnnn1-c1ccccc1 ZINC000833803135 605942007 /nfs/dbraw/zinc/94/20/07/605942007.db2.gz HQVMNSRYMUIPPV-GOEBONIOSA-N -1 1 358.446 2.453 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCCC1(C)C ZINC000822004875 606120483 /nfs/dbraw/zinc/12/04/83/606120483.db2.gz LZTWBCNSXGXBLI-ZDUSSCGKSA-N -1 1 358.446 2.212 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823600536 606124201 /nfs/dbraw/zinc/12/42/01/606124201.db2.gz HZIXLUGUFKMTPT-GHMZBOCLSA-N -1 1 367.862 2.331 20 0 FEADMM C[C@H](NC(=O)CCCc1nn[n-]n1)c1cc(F)c(Br)cc1F ZINC000636253153 677116207 /nfs/dbraw/zinc/11/62/07/677116207.db2.gz HNZMDSOOJFSQPV-ZETCQYMHSA-N -1 1 374.189 2.441 20 0 FEADMM Cc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822362161 606134624 /nfs/dbraw/zinc/13/46/24/606134624.db2.gz MYFKJOYJPRBXPK-NSHDSACASA-N -1 1 371.422 2.098 20 0 FEADMM Cc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822362161 606134625 /nfs/dbraw/zinc/13/46/25/606134625.db2.gz MYFKJOYJPRBXPK-NSHDSACASA-N -1 1 371.422 2.098 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2c(=O)[nH]1 ZINC000820512909 606135315 /nfs/dbraw/zinc/13/53/15/606135315.db2.gz PKHRNBDGINLTSK-QMMMGPOBSA-N -1 1 368.378 2.495 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2c(=O)[nH]1 ZINC000820512909 606135317 /nfs/dbraw/zinc/13/53/17/606135317.db2.gz PKHRNBDGINLTSK-QMMMGPOBSA-N -1 1 368.378 2.495 20 0 FEADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000820328653 606136946 /nfs/dbraw/zinc/13/69/46/606136946.db2.gz QHTKCDPLPKOKGF-QMMMGPOBSA-N -1 1 363.424 2.024 20 0 FEADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000820328653 606136948 /nfs/dbraw/zinc/13/69/48/606136948.db2.gz QHTKCDPLPKOKGF-QMMMGPOBSA-N -1 1 363.424 2.024 20 0 FEADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000820328652 606137322 /nfs/dbraw/zinc/13/73/22/606137322.db2.gz QHTKCDPLPKOKGF-MRVPVSSYSA-N -1 1 363.424 2.024 20 0 FEADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000820328652 606137323 /nfs/dbraw/zinc/13/73/23/606137323.db2.gz QHTKCDPLPKOKGF-MRVPVSSYSA-N -1 1 363.424 2.024 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000822248302 606140788 /nfs/dbraw/zinc/14/07/88/606140788.db2.gz AGIDDIQRMARFKT-UHFFFAOYSA-N -1 1 361.358 2.171 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000822248302 606140789 /nfs/dbraw/zinc/14/07/89/606140789.db2.gz AGIDDIQRMARFKT-UHFFFAOYSA-N -1 1 361.358 2.171 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000822609149 606155453 /nfs/dbraw/zinc/15/54/53/606155453.db2.gz KPJYPOCLGOUHTM-JTQLQIEISA-N -1 1 366.307 2.025 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000822609149 606155454 /nfs/dbraw/zinc/15/54/54/606155454.db2.gz KPJYPOCLGOUHTM-JTQLQIEISA-N -1 1 366.307 2.025 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(-c3ccccc3)o2)n1 ZINC000822620225 606163260 /nfs/dbraw/zinc/16/32/60/606163260.db2.gz MUABYOBBEBGVNR-UHFFFAOYSA-N -1 1 364.369 2.182 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(-c3ccccc3)o2)n1 ZINC000822620225 606163261 /nfs/dbraw/zinc/16/32/61/606163261.db2.gz MUABYOBBEBGVNR-UHFFFAOYSA-N -1 1 364.369 2.182 20 0 FEADMM CC(C)CN(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820092073 606167634 /nfs/dbraw/zinc/16/76/34/606167634.db2.gz GSNOTRROTXNQBO-UHFFFAOYSA-N -1 1 354.418 2.290 20 0 FEADMM CC(C)CN(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820092073 606167636 /nfs/dbraw/zinc/16/76/36/606167636.db2.gz GSNOTRROTXNQBO-UHFFFAOYSA-N -1 1 354.418 2.290 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000822614743 606168858 /nfs/dbraw/zinc/16/88/58/606168858.db2.gz QRCXNMGRJQFDGC-UKRRQHHQSA-N -1 1 366.429 2.448 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000822614743 606168859 /nfs/dbraw/zinc/16/88/59/606168859.db2.gz QRCXNMGRJQFDGC-UKRRQHHQSA-N -1 1 366.429 2.448 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000822004108 606196901 /nfs/dbraw/zinc/19/69/01/606196901.db2.gz AJHIQQXPVAWGQB-ZIBATOQPSA-N -1 1 372.473 2.458 20 0 FEADMM CCc1nc2ccccc2n1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821509946 606293164 /nfs/dbraw/zinc/29/31/64/606293164.db2.gz QITMODBTEFIOIS-UHFFFAOYSA-N -1 1 363.381 2.123 20 0 FEADMM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2 ZINC000822212772 606294337 /nfs/dbraw/zinc/29/43/37/606294337.db2.gz GVVKLPBNZYURHC-INIZCTEOSA-N -1 1 351.366 2.131 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc(-c2ccncc2)s1 ZINC000823294969 606296098 /nfs/dbraw/zinc/29/60/98/606296098.db2.gz ZYKBHAWFYQTRQM-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM O=C(Cc1csc(-c2ccoc2)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823118587 606298105 /nfs/dbraw/zinc/29/81/05/606298105.db2.gz GZHAYDDOKOHQNU-UHFFFAOYSA-N -1 1 368.378 2.470 20 0 FEADMM CCc1noc(C)c1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810199126 674536533 /nfs/dbraw/zinc/53/65/33/674536533.db2.gz PZDVDEKDTLFLIY-SNVBAGLBSA-N -1 1 362.352 2.468 20 0 FEADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](CC)CN1C(C)=O ZINC000820995313 606421348 /nfs/dbraw/zinc/42/13/48/606421348.db2.gz PLKIMMOTRYMCLJ-RYUDHWBXSA-N -1 1 363.853 2.141 20 0 FEADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](CC)CN1C(C)=O ZINC000820995313 606421349 /nfs/dbraw/zinc/42/13/49/606421349.db2.gz PLKIMMOTRYMCLJ-RYUDHWBXSA-N -1 1 363.853 2.141 20 0 FEADMM O=C(NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823229103 606450334 /nfs/dbraw/zinc/45/03/34/606450334.db2.gz DHRBWIRAXVIJSY-UHFFFAOYSA-N -1 1 357.292 2.415 20 0 FEADMM O=C(NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823229103 606450335 /nfs/dbraw/zinc/45/03/35/606450335.db2.gz DHRBWIRAXVIJSY-UHFFFAOYSA-N -1 1 357.292 2.415 20 0 FEADMM C[C@@H](N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000820308804 606469773 /nfs/dbraw/zinc/46/97/73/606469773.db2.gz YQLUQRUOMDELKV-ZCFIWIBFSA-N -1 1 367.788 2.049 20 0 FEADMM C[C@@H](N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000820308804 606469774 /nfs/dbraw/zinc/46/97/74/606469774.db2.gz YQLUQRUOMDELKV-ZCFIWIBFSA-N -1 1 367.788 2.049 20 0 FEADMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820253454 606503013 /nfs/dbraw/zinc/50/30/13/606503013.db2.gz IRQYYMVBANHXNI-JTQLQIEISA-N -1 1 371.422 2.408 20 0 FEADMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820253454 606503015 /nfs/dbraw/zinc/50/30/15/606503015.db2.gz IRQYYMVBANHXNI-JTQLQIEISA-N -1 1 371.422 2.408 20 0 FEADMM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821293689 606511358 /nfs/dbraw/zinc/51/13/58/606511358.db2.gz NHUJYXHHAICDOZ-UHFFFAOYSA-N -1 1 356.411 2.239 20 0 FEADMM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821293689 606511360 /nfs/dbraw/zinc/51/13/60/606511360.db2.gz NHUJYXHHAICDOZ-UHFFFAOYSA-N -1 1 356.411 2.239 20 0 FEADMM O=C(Nc1cccc(CN2CCOC2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363630 606512197 /nfs/dbraw/zinc/51/21/97/606512197.db2.gz KEJPJDMPVBIINI-UHFFFAOYSA-N -1 1 370.394 2.133 20 0 FEADMM O=C(Nc1cccc(CN2CCOC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363630 606512198 /nfs/dbraw/zinc/51/21/98/606512198.db2.gz KEJPJDMPVBIINI-UHFFFAOYSA-N -1 1 370.394 2.133 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCN(c2ccccc2)CC1 ZINC000823482871 606528750 /nfs/dbraw/zinc/52/87/50/606528750.db2.gz BDAWTNYOJYZNOL-UHFFFAOYSA-N -1 1 354.439 2.281 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCN(c2ccccc2)CC1 ZINC000823482871 606528752 /nfs/dbraw/zinc/52/87/52/606528752.db2.gz BDAWTNYOJYZNOL-UHFFFAOYSA-N -1 1 354.439 2.281 20 0 FEADMM CC(C)(C)OC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000819922598 606566101 /nfs/dbraw/zinc/56/61/01/606566101.db2.gz MWDBIUNIEKGVKW-UHFFFAOYSA-N -1 1 363.443 2.313 20 0 FEADMM CC(C)(C)OC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000819922598 606566103 /nfs/dbraw/zinc/56/61/03/606566103.db2.gz MWDBIUNIEKGVKW-UHFFFAOYSA-N -1 1 363.443 2.313 20 0 FEADMM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350623 606570455 /nfs/dbraw/zinc/57/04/55/606570455.db2.gz USFRRMAQPNRMMT-LBPRGKRZSA-N -1 1 357.395 2.348 20 0 FEADMM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350623 606570456 /nfs/dbraw/zinc/57/04/56/606570456.db2.gz USFRRMAQPNRMMT-LBPRGKRZSA-N -1 1 357.395 2.348 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3ccc(F)cc3)CC2)n1 ZINC000822608212 606578052 /nfs/dbraw/zinc/57/80/52/606578052.db2.gz AVZJCNYZSOXKOO-UHFFFAOYSA-N -1 1 370.392 2.151 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3ccc(F)cc3)CC2)n1 ZINC000822608212 606578053 /nfs/dbraw/zinc/57/80/53/606578053.db2.gz AVZJCNYZSOXKOO-UHFFFAOYSA-N -1 1 370.392 2.151 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823484367 606578299 /nfs/dbraw/zinc/57/82/99/606578299.db2.gz WUFIZBUKRMIODK-SNVBAGLBSA-N -1 1 371.426 2.208 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823484367 606578301 /nfs/dbraw/zinc/57/83/01/606578301.db2.gz WUFIZBUKRMIODK-SNVBAGLBSA-N -1 1 371.426 2.208 20 0 FEADMM Cc1cccc2oc(CCNC(=O)c3ccc(-c4nnn[n-]4)s3)nc21 ZINC000822340731 606579704 /nfs/dbraw/zinc/57/97/04/606579704.db2.gz FLPDIKWXENIGKS-UHFFFAOYSA-N -1 1 354.395 2.350 20 0 FEADMM Cc1cccc2oc(CCNC(=O)c3ccc(-c4nn[n-]n4)s3)nc21 ZINC000822340731 606579705 /nfs/dbraw/zinc/57/97/05/606579705.db2.gz FLPDIKWXENIGKS-UHFFFAOYSA-N -1 1 354.395 2.350 20 0 FEADMM O=C(NC[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823182189 606589120 /nfs/dbraw/zinc/58/91/20/606589120.db2.gz ITIKZEWGUZGLFE-OAHLLOKOSA-N -1 1 352.423 2.022 20 0 FEADMM O=C(NC[C@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823182189 606589122 /nfs/dbraw/zinc/58/91/22/606589122.db2.gz ITIKZEWGUZGLFE-OAHLLOKOSA-N -1 1 352.423 2.022 20 0 FEADMM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823270048 606593942 /nfs/dbraw/zinc/59/39/42/606593942.db2.gz WTCSJXFBIKPMGT-UHFFFAOYSA-N -1 1 351.395 2.248 20 0 FEADMM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823270048 606593943 /nfs/dbraw/zinc/59/39/43/606593943.db2.gz WTCSJXFBIKPMGT-UHFFFAOYSA-N -1 1 351.395 2.248 20 0 FEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CC[C@H](O)C1 ZINC000823488484 606640656 /nfs/dbraw/zinc/64/06/56/606640656.db2.gz OGTQTYRNZHCRNU-LBPRGKRZSA-N -1 1 369.356 2.005 20 0 FEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CC[C@H](O)C1 ZINC000823488484 606640657 /nfs/dbraw/zinc/64/06/57/606640657.db2.gz OGTQTYRNZHCRNU-LBPRGKRZSA-N -1 1 369.356 2.005 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(Cc2ccccc2Cl)C1 ZINC000823478999 606641553 /nfs/dbraw/zinc/64/15/53/606641553.db2.gz YXFJRJIVXYWCGW-UHFFFAOYSA-N -1 1 354.801 2.230 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(Cc2ccccc2Cl)C1 ZINC000823478999 606641554 /nfs/dbraw/zinc/64/15/54/606641554.db2.gz YXFJRJIVXYWCGW-UHFFFAOYSA-N -1 1 354.801 2.230 20 0 FEADMM O=C(CCCOc1ccccc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822958663 606649044 /nfs/dbraw/zinc/64/90/44/606649044.db2.gz ABEZLOUAMQTXFM-UHFFFAOYSA-N -1 1 357.345 2.303 20 0 FEADMM O=C(CCCOc1ccccc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822958663 606649045 /nfs/dbraw/zinc/64/90/45/606649045.db2.gz ABEZLOUAMQTXFM-UHFFFAOYSA-N -1 1 357.345 2.303 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820550650 606650407 /nfs/dbraw/zinc/65/04/07/606650407.db2.gz YHYLHXCVGLBUST-JTQLQIEISA-N -1 1 359.773 2.426 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820550650 606650408 /nfs/dbraw/zinc/65/04/08/606650408.db2.gz YHYLHXCVGLBUST-JTQLQIEISA-N -1 1 359.773 2.426 20 0 FEADMM O=C(C[C@@H]1OCCc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945623 606651109 /nfs/dbraw/zinc/65/11/09/606651109.db2.gz LSXSOHQDPQIBTL-INIZCTEOSA-N -1 1 351.366 2.009 20 0 FEADMM O=C(C[C@@H]1OCCc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945623 606651110 /nfs/dbraw/zinc/65/11/10/606651110.db2.gz LSXSOHQDPQIBTL-INIZCTEOSA-N -1 1 351.366 2.009 20 0 FEADMM CC(C)CC[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820073340 606737467 /nfs/dbraw/zinc/73/74/67/606737467.db2.gz SAPCMFQCTUNXMF-CYBMUJFWSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)CC[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820073340 606737469 /nfs/dbraw/zinc/73/74/69/606737469.db2.gz SAPCMFQCTUNXMF-CYBMUJFWSA-N -1 1 364.475 2.241 20 0 FEADMM CC(C)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820046018 606742598 /nfs/dbraw/zinc/74/25/98/606742598.db2.gz PSALHPMQNYKYFA-JTQLQIEISA-N -1 1 355.851 2.187 20 0 FEADMM CC(C)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820046018 606742600 /nfs/dbraw/zinc/74/26/00/606742600.db2.gz PSALHPMQNYKYFA-JTQLQIEISA-N -1 1 355.851 2.187 20 0 FEADMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820067211 606843207 /nfs/dbraw/zinc/84/32/07/606843207.db2.gz GJXKKJGGYZQKKZ-LBPRGKRZSA-N -1 1 353.423 2.205 20 0 FEADMM CCc1nnc(Oc2ccc(-n3cncn3)cc2)c(-c2nn[n-]n2)c1CC ZINC000821547697 606937694 /nfs/dbraw/zinc/93/76/94/606937694.db2.gz AHUCUHFQDXTUFV-UHFFFAOYSA-N -1 1 363.385 2.155 20 0 FEADMM CC[C@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820950516 606938261 /nfs/dbraw/zinc/93/82/61/606938261.db2.gz OSHFIXYVNIYJRQ-CQSZACIVSA-N -1 1 355.851 2.331 20 0 FEADMM CC[C@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820950516 606938262 /nfs/dbraw/zinc/93/82/62/606938262.db2.gz OSHFIXYVNIYJRQ-CQSZACIVSA-N -1 1 355.851 2.331 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccc(F)cn1 ZINC000822540516 606942226 /nfs/dbraw/zinc/94/22/26/606942226.db2.gz CSXZJUVOMUWXJD-UHFFFAOYSA-N -1 1 367.344 2.023 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccc(F)cn1 ZINC000822540516 606942228 /nfs/dbraw/zinc/94/22/28/606942228.db2.gz CSXZJUVOMUWXJD-UHFFFAOYSA-N -1 1 367.344 2.023 20 0 FEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820818744 606956234 /nfs/dbraw/zinc/95/62/34/606956234.db2.gz AXNVWNJKWHXSDX-MRVPVSSYSA-N -1 1 374.355 2.030 20 0 FEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820818744 606956236 /nfs/dbraw/zinc/95/62/36/606956236.db2.gz AXNVWNJKWHXSDX-MRVPVSSYSA-N -1 1 374.355 2.030 20 0 FEADMM COC(C)(C)CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821672583 606987353 /nfs/dbraw/zinc/98/73/53/606987353.db2.gz POGHMZRNEIFQJM-UHFFFAOYSA-N -1 1 358.402 2.056 20 0 FEADMM COC(C)(C)CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821672583 606987354 /nfs/dbraw/zinc/98/73/54/606987354.db2.gz POGHMZRNEIFQJM-UHFFFAOYSA-N -1 1 358.402 2.056 20 0 FEADMM COc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1OC(F)F ZINC000821772743 607024005 /nfs/dbraw/zinc/02/40/05/607024005.db2.gz NZLJMVJAXAUJTQ-UHFFFAOYSA-N -1 1 368.325 2.186 20 0 FEADMM COc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1OC(F)F ZINC000821772743 607024007 /nfs/dbraw/zinc/02/40/07/607024007.db2.gz NZLJMVJAXAUJTQ-UHFFFAOYSA-N -1 1 368.325 2.186 20 0 FEADMM CC(C)c1ncc(Cl)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC000820206454 607103006 /nfs/dbraw/zinc/10/30/06/607103006.db2.gz LLOPCTMJLQITBB-UHFFFAOYSA-N -1 1 350.795 2.142 20 0 FEADMM CC(C)c1ncc(Cl)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC000820206454 607103008 /nfs/dbraw/zinc/10/30/08/607103008.db2.gz LLOPCTMJLQITBB-UHFFFAOYSA-N -1 1 350.795 2.142 20 0 FEADMM CC(C)CCC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820072289 607127848 /nfs/dbraw/zinc/12/78/48/607127848.db2.gz DSUOAODLADMCJT-UHFFFAOYSA-N -1 1 364.475 2.099 20 0 FEADMM CC(C)CCC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820072289 607127850 /nfs/dbraw/zinc/12/78/50/607127850.db2.gz DSUOAODLADMCJT-UHFFFAOYSA-N -1 1 364.475 2.099 20 0 FEADMM c1cn(-c2cccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)c2)nn1 ZINC000823756753 607133405 /nfs/dbraw/zinc/13/34/05/607133405.db2.gz GXYOXFNJEBLSAN-UHFFFAOYSA-N -1 1 356.353 2.134 20 0 FEADMM c1cn(-c2cccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)c2)nn1 ZINC000823756753 607133406 /nfs/dbraw/zinc/13/34/06/607133406.db2.gz GXYOXFNJEBLSAN-UHFFFAOYSA-N -1 1 356.353 2.134 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(F)cc1O ZINC000822010177 607159705 /nfs/dbraw/zinc/15/97/05/607159705.db2.gz QVZCDWKUKYOGQA-UHFFFAOYSA-N -1 1 372.360 2.000 20 0 FEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1SC1CCCC1 ZINC000823136351 607207625 /nfs/dbraw/zinc/20/76/25/607207625.db2.gz XIAABTYTUZVPAK-UHFFFAOYSA-N -1 1 370.442 2.132 20 0 FEADMM CC(C)Oc1cncc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000820178687 607238822 /nfs/dbraw/zinc/23/88/22/607238822.db2.gz XTHLEALFVMLRHZ-UHFFFAOYSA-N -1 1 370.417 2.253 20 0 FEADMM CC(C)Oc1cncc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000820178687 607238823 /nfs/dbraw/zinc/23/88/23/607238823.db2.gz XTHLEALFVMLRHZ-UHFFFAOYSA-N -1 1 370.417 2.253 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(CCC(F)(F)F)cc2)n1 ZINC000826357666 607787082 /nfs/dbraw/zinc/78/70/82/607787082.db2.gz NJXVNWQOYDQRTP-UHFFFAOYSA-N -1 1 365.319 2.347 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(CCC(F)(F)F)cc2)n1 ZINC000826357666 607787083 /nfs/dbraw/zinc/78/70/83/607787083.db2.gz NJXVNWQOYDQRTP-UHFFFAOYSA-N -1 1 365.319 2.347 20 0 FEADMM COc1ccc(-c2nnc(Sc3cccc(-c4nnn[n-]4)n3)n2C)cc1 ZINC000826182016 607895534 /nfs/dbraw/zinc/89/55/34/607895534.db2.gz WXXDNDGIGOXLRB-UHFFFAOYSA-N -1 1 366.410 2.217 20 0 FEADMM COc1ccc(-c2nnc(Sc3cccc(-c4nn[n-]n4)n3)n2C)cc1 ZINC000826182016 607895535 /nfs/dbraw/zinc/89/55/35/607895535.db2.gz WXXDNDGIGOXLRB-UHFFFAOYSA-N -1 1 366.410 2.217 20 0 FEADMM O[C@](CNc1cccc(-c2nnn[n-]2)n1)(c1ccccc1)C(F)(F)F ZINC000826504533 607899434 /nfs/dbraw/zinc/89/94/34/607899434.db2.gz YBEQFHNNYTYNAL-CQSZACIVSA-N -1 1 350.304 2.124 20 0 FEADMM O[C@](CNc1cccc(-c2nn[n-]n2)n1)(c1ccccc1)C(F)(F)F ZINC000826504533 607899435 /nfs/dbraw/zinc/89/94/35/607899435.db2.gz YBEQFHNNYTYNAL-CQSZACIVSA-N -1 1 350.304 2.124 20 0 FEADMM O[C@@](CNc1cccc(-c2nnn[n-]2)n1)(c1ccccc1)C(F)(F)F ZINC000826504532 607899604 /nfs/dbraw/zinc/89/96/04/607899604.db2.gz YBEQFHNNYTYNAL-AWEZNQCLSA-N -1 1 350.304 2.124 20 0 FEADMM O[C@@](CNc1cccc(-c2nn[n-]n2)n1)(c1ccccc1)C(F)(F)F ZINC000826504532 607899605 /nfs/dbraw/zinc/89/96/05/607899605.db2.gz YBEQFHNNYTYNAL-AWEZNQCLSA-N -1 1 350.304 2.124 20 0 FEADMM CCN(CC)C(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825399495 607933927 /nfs/dbraw/zinc/93/39/27/607933927.db2.gz VVIHXJRWBGCBDR-INIZCTEOSA-N -1 1 365.441 2.153 20 0 FEADMM CCN(CC)C(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825399495 607933928 /nfs/dbraw/zinc/93/39/28/607933928.db2.gz VVIHXJRWBGCBDR-INIZCTEOSA-N -1 1 365.441 2.153 20 0 FEADMM O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506779 607936881 /nfs/dbraw/zinc/93/68/81/607936881.db2.gz BNMLTWLPKMSTMZ-ZJUUUORDSA-N -1 1 366.809 2.428 20 0 FEADMM O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826506779 607936882 /nfs/dbraw/zinc/93/68/82/607936882.db2.gz BNMLTWLPKMSTMZ-ZJUUUORDSA-N -1 1 366.809 2.428 20 0 FEADMM Fc1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c(Cl)c1 ZINC000826375270 607937444 /nfs/dbraw/zinc/93/74/44/607937444.db2.gz GNJHDMBFGDUABY-UHFFFAOYSA-N -1 1 359.796 2.381 20 0 FEADMM Fc1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(Cl)c1 ZINC000826375270 607937445 /nfs/dbraw/zinc/93/74/45/607937445.db2.gz GNJHDMBFGDUABY-UHFFFAOYSA-N -1 1 359.796 2.381 20 0 FEADMM COc1ccc(-n2c(Cn3ccnc3-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000826186862 608014278 /nfs/dbraw/zinc/01/42/78/608014278.db2.gz NBWKIQYEJFBQDT-UHFFFAOYSA-N -1 1 372.392 2.459 20 0 FEADMM COc1ccc(-n2c(Cn3ccnc3-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000826186862 608014279 /nfs/dbraw/zinc/01/42/79/608014279.db2.gz NBWKIQYEJFBQDT-UHFFFAOYSA-N -1 1 372.392 2.459 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000826472367 608130866 /nfs/dbraw/zinc/13/08/66/608130866.db2.gz IRENEDRGZUZAKW-LBPRGKRZSA-N -1 1 359.386 2.361 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000826472367 608130867 /nfs/dbraw/zinc/13/08/67/608130867.db2.gz IRENEDRGZUZAKW-LBPRGKRZSA-N -1 1 359.386 2.361 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477354 608148765 /nfs/dbraw/zinc/14/87/65/608148765.db2.gz ASVSKRKTZJGWES-ZDUSSCGKSA-N -1 1 373.779 2.272 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477354 608148766 /nfs/dbraw/zinc/14/87/66/608148766.db2.gz ASVSKRKTZJGWES-ZDUSSCGKSA-N -1 1 373.779 2.272 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000826340776 608167003 /nfs/dbraw/zinc/16/70/03/608167003.db2.gz KPEPTBGZKYRIRM-WCQYABFASA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000826340776 608167005 /nfs/dbraw/zinc/16/70/05/608167005.db2.gz KPEPTBGZKYRIRM-WCQYABFASA-N -1 1 370.413 2.104 20 0 FEADMM Clc1nsc(NCc2nncn2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826354841 608175917 /nfs/dbraw/zinc/17/59/17/608175917.db2.gz XTAUGDMTDCSCOJ-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM Clc1nsc(NCc2nncn2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826354841 608175918 /nfs/dbraw/zinc/17/59/18/608175918.db2.gz XTAUGDMTDCSCOJ-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000824670522 608189929 /nfs/dbraw/zinc/18/99/29/608189929.db2.gz QIAMHEZXZZRGPI-ZCFIWIBFSA-N -1 1 351.827 2.078 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000824670522 608189930 /nfs/dbraw/zinc/18/99/30/608189930.db2.gz QIAMHEZXZZRGPI-ZCFIWIBFSA-N -1 1 351.827 2.078 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826523263 608199075 /nfs/dbraw/zinc/19/90/75/608199075.db2.gz HCMJNJTZMYXIGC-KPZWWZAWSA-N -1 1 352.398 2.165 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826523263 608199077 /nfs/dbraw/zinc/19/90/77/608199077.db2.gz HCMJNJTZMYXIGC-KPZWWZAWSA-N -1 1 352.398 2.165 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H]1C ZINC000824961586 608341803 /nfs/dbraw/zinc/34/18/03/608341803.db2.gz DJKNCKZFTXMBCO-VHSXEESVSA-N -1 1 355.851 2.187 20 0 FEADMM c1ccc(COc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)nc1 ZINC000826522213 608402603 /nfs/dbraw/zinc/40/26/03/608402603.db2.gz QXRZYUIYSAGMOL-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM c1ccc(COc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)nc1 ZINC000826522213 608402604 /nfs/dbraw/zinc/40/26/04/608402604.db2.gz QXRZYUIYSAGMOL-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM O=C(Nc1cccnc1)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826457541 608405961 /nfs/dbraw/zinc/40/59/61/608405961.db2.gz GFPSCBNMZADKCN-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM O=C(Nc1cccnc1)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826457541 608405962 /nfs/dbraw/zinc/40/59/62/608405962.db2.gz GFPSCBNMZADKCN-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM Clc1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)nc1-c1nnn[n-]1 ZINC000826352251 608408968 /nfs/dbraw/zinc/40/89/68/608408968.db2.gz UTNRIHYJXBPYOR-SNVBAGLBSA-N -1 1 371.836 2.226 20 0 FEADMM Clc1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)nc1-c1nn[n-]n1 ZINC000826352251 608408969 /nfs/dbraw/zinc/40/89/69/608408969.db2.gz UTNRIHYJXBPYOR-SNVBAGLBSA-N -1 1 371.836 2.226 20 0 FEADMM COc1ccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000826188435 608415440 /nfs/dbraw/zinc/41/54/40/608415440.db2.gz XEACOTYKUOTTEO-UHFFFAOYSA-N -1 1 355.402 2.064 20 0 FEADMM COc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000826188435 608415442 /nfs/dbraw/zinc/41/54/42/608415442.db2.gz XEACOTYKUOTTEO-UHFFFAOYSA-N -1 1 355.402 2.064 20 0 FEADMM CC(C)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)OCc1ccccc1 ZINC000824274957 608417669 /nfs/dbraw/zinc/41/76/69/608417669.db2.gz NXBFYXGQVUWUSL-HNNXBMFYSA-N -1 1 367.413 2.227 20 0 FEADMM CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)OCc1ccccc1 ZINC000824274957 608417672 /nfs/dbraw/zinc/41/76/72/608417672.db2.gz NXBFYXGQVUWUSL-HNNXBMFYSA-N -1 1 367.413 2.227 20 0 FEADMM COC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(C(F)(F)F)c1 ZINC000826152253 608421716 /nfs/dbraw/zinc/42/17/16/608421716.db2.gz UJPUGOFNGWYXHZ-LBPRGKRZSA-N -1 1 365.319 2.475 20 0 FEADMM COC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(C(F)(F)F)c1 ZINC000826152253 608421719 /nfs/dbraw/zinc/42/17/19/608421719.db2.gz UJPUGOFNGWYXHZ-LBPRGKRZSA-N -1 1 365.319 2.475 20 0 FEADMM O[C@H](C[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000826502105 608432140 /nfs/dbraw/zinc/43/21/40/608432140.db2.gz UTEYVGDGAMBMSR-GXTWGEPZSA-N -1 1 355.402 2.122 20 0 FEADMM O[C@H](C[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000826502105 608432142 /nfs/dbraw/zinc/43/21/42/608432142.db2.gz UTEYVGDGAMBMSR-GXTWGEPZSA-N -1 1 355.402 2.122 20 0 FEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC000824731580 608455759 /nfs/dbraw/zinc/45/57/59/608455759.db2.gz XFUKYYUYPNBPIL-MRVPVSSYSA-N -1 1 368.378 2.233 20 0 FEADMM O=C(CCC(=O)c1cccc(F)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826405444 608472761 /nfs/dbraw/zinc/47/27/61/608472761.db2.gz FYOQREIXOVSTDW-UHFFFAOYSA-N -1 1 355.329 2.313 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000826341090 608476084 /nfs/dbraw/zinc/47/60/84/608476084.db2.gz WBKDVDYWAWLAOZ-QWRGUYRKSA-N -1 1 370.413 2.245 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000826341090 608476086 /nfs/dbraw/zinc/47/60/86/608476086.db2.gz WBKDVDYWAWLAOZ-QWRGUYRKSA-N -1 1 370.413 2.245 20 0 FEADMM CC[C@@H](CC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825113557 608557749 /nfs/dbraw/zinc/55/77/49/608557749.db2.gz BBARHZDBOBIQDA-ZDUSSCGKSA-N -1 1 374.493 2.170 20 0 FEADMM CC[C@@H](CC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825113557 608557752 /nfs/dbraw/zinc/55/77/52/608557752.db2.gz BBARHZDBOBIQDA-ZDUSSCGKSA-N -1 1 374.493 2.170 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824900953 608564717 /nfs/dbraw/zinc/56/47/17/608564717.db2.gz WXFQEJIIFVKQQQ-JRPNMDOOSA-N -1 1 365.434 2.348 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(c1cccc(F)c1)C1CCOCC1 ZINC000826472460 609188573 /nfs/dbraw/zinc/18/85/73/609188573.db2.gz LCWAFXKLVPIOLP-UHFFFAOYSA-N -1 1 368.372 2.227 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(c1cccc(F)c1)C1CCOCC1 ZINC000826472460 609188574 /nfs/dbraw/zinc/18/85/74/609188574.db2.gz LCWAFXKLVPIOLP-UHFFFAOYSA-N -1 1 368.372 2.227 20 0 FEADMM CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000824323977 609210162 /nfs/dbraw/zinc/21/01/62/609210162.db2.gz FCSKXHHRDUOMTK-UHFFFAOYSA-N -1 1 355.354 2.317 20 0 FEADMM CCn1ccnc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825804415 609278833 /nfs/dbraw/zinc/27/88/33/609278833.db2.gz AIEFTWRMUZCRPT-UHFFFAOYSA-N -1 1 353.365 2.020 20 0 FEADMM CC(C)CO[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824266829 609287257 /nfs/dbraw/zinc/28/72/57/609287257.db2.gz RCZCLTNZADCYTN-LLVKDONJSA-N -1 1 373.392 2.191 20 0 FEADMM CSCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228688 609287634 /nfs/dbraw/zinc/28/76/34/609287634.db2.gz XGGHMQUNGWSPBQ-UHFFFAOYSA-N -1 1 361.406 2.273 20 0 FEADMM Cc1c[nH]cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826242818 609312761 /nfs/dbraw/zinc/31/27/61/609312761.db2.gz HPMDDXVPLAAPQA-UHFFFAOYSA-N -1 1 352.333 2.080 20 0 FEADMM Cc1noc(C2(C)CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000826339553 609315638 /nfs/dbraw/zinc/31/56/38/609315638.db2.gz JISNJUJONLDESK-UHFFFAOYSA-N -1 1 366.838 2.226 20 0 FEADMM Cc1noc(C2(C)CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000826339553 609315640 /nfs/dbraw/zinc/31/56/40/609315640.db2.gz JISNJUJONLDESK-UHFFFAOYSA-N -1 1 366.838 2.226 20 0 FEADMM CCCn1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825361578 609319490 /nfs/dbraw/zinc/31/94/90/609319490.db2.gz FUKBRXXAQOSCEG-UHFFFAOYSA-N -1 1 367.392 2.410 20 0 FEADMM CCCN(CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825308291 609356165 /nfs/dbraw/zinc/35/61/65/609356165.db2.gz ZWJSTLNHSBBEDT-UHFFFAOYSA-N -1 1 358.381 2.455 20 0 FEADMM CN(CCC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825919113 609365838 /nfs/dbraw/zinc/36/58/38/609365838.db2.gz UGQVRRHSAGLMCZ-UHFFFAOYSA-N -1 1 370.392 2.455 20 0 FEADMM CC[C@H]1C[C@@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825182585 609392676 /nfs/dbraw/zinc/39/26/76/609392676.db2.gz LCQPCZJJSGRBBC-RYUDHWBXSA-N -1 1 361.450 2.352 20 0 FEADMM CC[C@H]1C[C@@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825182585 609392678 /nfs/dbraw/zinc/39/26/78/609392678.db2.gz LCQPCZJJSGRBBC-RYUDHWBXSA-N -1 1 361.450 2.352 20 0 FEADMM C[C@@H]1CC[C@]2(CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC000824918395 609401588 /nfs/dbraw/zinc/40/15/88/609401588.db2.gz PVNLZJMHIVDHPL-BZNIZROVSA-N -1 1 365.434 2.207 20 0 FEADMM C[C@H]1CC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC000824915374 609401777 /nfs/dbraw/zinc/40/17/77/609401777.db2.gz DOYAXXAQYXUAMP-ZBEGNZNMSA-N -1 1 365.434 2.207 20 0 FEADMM C[C@H]1CC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC000824915374 609401779 /nfs/dbraw/zinc/40/17/79/609401779.db2.gz DOYAXXAQYXUAMP-ZBEGNZNMSA-N -1 1 365.434 2.207 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825499431 609407866 /nfs/dbraw/zinc/40/78/66/609407866.db2.gz MYKSUYILHGPCAT-WDEREUQCSA-N -1 1 364.427 2.455 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc(CO)cc2)c2ccc(Cl)cc12 ZINC000826501605 609419881 /nfs/dbraw/zinc/41/98/81/609419881.db2.gz YIJWWGHUVPRGQS-UHFFFAOYSA-N -1 1 367.796 2.376 20 0 FEADMM Cc1onc(CC(=O)N2CC=C(c3cccc(C)c3)CC2)c1-c1nnn[n-]1 ZINC000826297493 609470318 /nfs/dbraw/zinc/47/03/18/609470318.db2.gz JYQRBDXUKOKJSY-UHFFFAOYSA-N -1 1 364.409 2.330 20 0 FEADMM Cc1onc(CC(=O)N2CC=C(c3cccc(C)c3)CC2)c1-c1nn[n-]n1 ZINC000826297493 609470319 /nfs/dbraw/zinc/47/03/19/609470319.db2.gz JYQRBDXUKOKJSY-UHFFFAOYSA-N -1 1 364.409 2.330 20 0 FEADMM Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810698558 674557485 /nfs/dbraw/zinc/55/74/85/674557485.db2.gz DTEMHVZPGFQFRR-KRWDZBQOSA-N -1 1 356.463 2.154 20 0 FEADMM COc1cccc(CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810897592 674567096 /nfs/dbraw/zinc/56/70/96/674567096.db2.gz JQVONDNBLSJADU-ZDUSSCGKSA-N -1 1 358.360 2.155 20 0 FEADMM Cc1ncsc1/C=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810901036 674567307 /nfs/dbraw/zinc/56/73/07/674567307.db2.gz MZGHHRHHUMWKCK-WYGGZMRJSA-N -1 1 361.389 2.382 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccnc(C3CC3)c2)C1)C(F)(F)F ZINC000810902409 674567331 /nfs/dbraw/zinc/56/73/31/674567331.db2.gz IARUYJRDLOTRRL-LLVKDONJSA-N -1 1 355.360 2.490 20 0 FEADMM O=C([N-]n1ccccc1=O)c1c(O)cnc2c(Br)cccc21 ZINC000810920237 674568421 /nfs/dbraw/zinc/56/84/21/674568421.db2.gz QGWCMEOGSXRVNB-UHFFFAOYSA-N -1 1 360.167 2.249 20 0 FEADMM O=C(Nn1ccccc1=O)c1c([O-])cnc2c(Br)cccc21 ZINC000810920237 674568424 /nfs/dbraw/zinc/56/84/24/674568424.db2.gz QGWCMEOGSXRVNB-UHFFFAOYSA-N -1 1 360.167 2.249 20 0 FEADMM O=C(N[C@H]1COc2ccccc2[C@H]1O)c1ccc(Br)cc1[O-] ZINC000811576964 674614857 /nfs/dbraw/zinc/61/48/57/674614857.db2.gz YIGLHWDXQWPXDY-SWLSCSKDSA-N -1 1 364.195 2.379 20 0 FEADMM O=C(CCOc1ccc(F)c(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000561108893 674638271 /nfs/dbraw/zinc/63/82/71/674638271.db2.gz YGHHIRPIZMATPF-JTQLQIEISA-N -1 1 353.785 2.167 20 0 FEADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2cccnn2)cc1 ZINC000561262554 674651867 /nfs/dbraw/zinc/65/18/67/674651867.db2.gz GMYYRVOACDAWKN-UHFFFAOYSA-N -1 1 358.398 3.029 20 0 FEADMM Cc1nnc([N-][C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)o1 ZINC000561268820 674652138 /nfs/dbraw/zinc/65/21/38/674652138.db2.gz IPBKHHWJTOBPCF-ZDUSSCGKSA-N -1 1 365.231 3.056 20 0 FEADMM Cc1cnc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000561727183 674694128 /nfs/dbraw/zinc/69/41/28/674694128.db2.gz QSOJCLRQPRKPPD-UHFFFAOYSA-N -1 1 368.842 2.343 20 0 FEADMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1c(C)onc1N ZINC000562018679 674716768 /nfs/dbraw/zinc/71/67/68/674716768.db2.gz VIKKNWYHTLRTJZ-RBSFLKMASA-N -1 1 365.455 2.195 20 0 FEADMM O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000813722376 674774032 /nfs/dbraw/zinc/77/40/32/674774032.db2.gz RNCZRHPWCTUMMT-GFCCVEGCSA-N -1 1 362.842 2.177 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCOc3cccc(C)c32)co1 ZINC000814034959 674813079 /nfs/dbraw/zinc/81/30/79/674813079.db2.gz QWWBBXHIFYREOL-CYBMUJFWSA-N -1 1 351.380 2.177 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2c(F)cc(F)cc2F)c(C(F)(F)F)n1 ZINC000815077350 674912872 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CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@@]12CCCO2 ZINC000564412106 675012809 /nfs/dbraw/zinc/01/28/09/675012809.db2.gz WIKMNGIAIQIQHZ-UXLLHSPISA-N -1 1 351.424 2.438 20 0 FEADMM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCc1cn[nH]n1 ZINC000816112816 675016040 /nfs/dbraw/zinc/01/60/40/675016040.db2.gz CXOAOIUTYVPWRK-KRWDZBQOSA-N -1 1 364.471 2.361 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000564561040 675037281 /nfs/dbraw/zinc/03/72/81/675037281.db2.gz LCLDEUZTHVGTNG-UHFFFAOYSA-N -1 1 355.319 2.077 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2OCCCO2)c([O-])c1 ZINC000816315064 675046325 /nfs/dbraw/zinc/04/63/25/675046325.db2.gz LPQSCRCEDDHXPU-UHFFFAOYSA-N -1 1 352.387 2.232 20 0 FEADMM CCCCNC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000007560883 669971830 /nfs/dbraw/zinc/97/18/30/669971830.db2.gz ZWOHNEVUYSRNRL-UHFFFAOYSA-N -1 1 357.501 2.263 20 0 FEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024243862 670053388 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359.476 2.495 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1 ZINC000080941056 670634712 /nfs/dbraw/zinc/63/47/12/670634712.db2.gz FQQRBQLJOQUAGW-OAQYLSRUSA-N -1 1 359.391 2.481 20 0 FEADMM O=C(CCCOc1cccnc1)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000081029385 670636236 /nfs/dbraw/zinc/63/62/36/670636236.db2.gz TYWRQZFWUSBPOX-UHFFFAOYSA-N -1 1 351.765 2.494 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@](CO)(C(C)C)C2)c(=O)[n-]1 ZINC000570001252 670646205 /nfs/dbraw/zinc/64/62/05/670646205.db2.gz UNMFBTHYHHPKBO-SFHVURJKSA-N -1 1 367.515 2.402 20 0 FEADMM Cn1c(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n[n-]c1=S ZINC000081747405 670648609 /nfs/dbraw/zinc/64/86/09/670648609.db2.gz HIHQKDRSJMTRMK-UHFFFAOYSA-N -1 1 356.411 2.335 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000081748286 670648888 /nfs/dbraw/zinc/64/88/88/670648888.db2.gz QGDYZAWZJPBAEG-ZDUSSCGKSA-N -1 1 351.447 2.298 20 0 FEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1sccc1Cl)C(F)(F)F ZINC000570605844 670738367 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Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2c2nccn2C)c(F)c1 ZINC000575982896 671335416 /nfs/dbraw/zinc/33/54/16/671335416.db2.gz ADBQSTBMVPMSPH-KBPBESRZSA-N -1 1 371.409 2.205 20 0 FEADMM COc1ccc(CNC(=O)[C@H](C)Sc2ncc(C)c(=O)[n-]2)cc1OC ZINC000576122797 671345626 /nfs/dbraw/zinc/34/56/26/671345626.db2.gz NWRWEFFDUBZRKG-NSHDSACASA-N -1 1 363.439 2.305 20 0 FEADMM O=C([O-])[C@@H]1CSCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000576839198 671398852 /nfs/dbraw/zinc/39/88/52/671398852.db2.gz UNNPTXZFHOTNNK-NSHDSACASA-N -1 1 356.245 2.327 20 0 FEADMM COc1cc(Cl)c(OC)c2c1ncc(C(=O)[O-])c2N1CCN(C)CC1 ZINC000577955374 671631036 /nfs/dbraw/zinc/63/10/36/671631036.db2.gz PUKKRRZLVPSNQB-UHFFFAOYSA-N -1 1 365.817 2.355 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000609494657 675923516 /nfs/dbraw/zinc/92/35/16/675923516.db2.gz GSINHQVXXXDLJP-JOCHJYFZSA-N -1 1 353.421 2.011 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000609494568 675923575 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/nfs/dbraw/zinc/12/51/82/673125182.db2.gz SULJDBNWUOTCNL-UHFFFAOYSA-N -1 1 357.819 2.110 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1C)c1cccc(OC)c1 ZINC000594823319 673153270 /nfs/dbraw/zinc/15/32/70/673153270.db2.gz UMMQYUVUQIOSSE-QGZVFWFLSA-N -1 1 363.435 2.337 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1c(Cl)nc2ccccn21 ZINC000727112758 673156146 /nfs/dbraw/zinc/15/61/46/673156146.db2.gz FQZJSJRKTGZTGN-UHFFFAOYSA-N -1 1 374.813 2.369 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)cc1C ZINC000595309984 673220667 /nfs/dbraw/zinc/22/06/67/673220667.db2.gz PYIPRECIVCMKLT-LBPRGKRZSA-N -1 1 372.468 2.017 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCCCc2nc(C)cs2)cc1C ZINC000595312285 673221503 /nfs/dbraw/zinc/22/15/03/673221503.db2.gz SEZOZSOYESZNFB-UHFFFAOYSA-N -1 1 372.468 2.441 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)cc1C ZINC000595313565 673221855 /nfs/dbraw/zinc/22/18/55/673221855.db2.gz VOCDOIZZOJGKQC-LLVKDONJSA-N -1 1 353.421 2.500 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cc(F)cc(OC)c2)cc1C ZINC000595320857 673223623 /nfs/dbraw/zinc/22/36/23/673223623.db2.gz IKQOGQQGJXIGAM-UHFFFAOYSA-N -1 1 357.359 2.001 20 0 FEADMM CCOc1cccc(CC[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)c1 ZINC000595324262 673224720 /nfs/dbraw/zinc/22/47/20/673224720.db2.gz ZOOMTKFAONJWMP-UHFFFAOYSA-N -1 1 367.423 2.294 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)C(C)C)o1 ZINC000595354637 673231439 /nfs/dbraw/zinc/23/14/39/673231439.db2.gz PYOUOEGXCHXHJF-CVEARBPZSA-N -1 1 367.423 2.103 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)OC[C@@H]1CC1(Cl)Cl ZINC000729712213 673245473 /nfs/dbraw/zinc/24/54/73/673245473.db2.gz QLMIYVGGSORWDG-VIFPVBQESA-N -1 1 369.208 2.227 20 0 FEADMM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361148 673278012 /nfs/dbraw/zinc/27/80/12/673278012.db2.gz XYLSMRCATJAWNI-SSDOTTSWSA-N -1 1 363.197 2.479 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c[nH]1 ZINC000536185902 673363514 /nfs/dbraw/zinc/36/35/14/673363514.db2.gz RNQHLYASNOGTLI-UHFFFAOYSA-N -1 1 370.337 2.416 20 0 FEADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000732580077 673373034 /nfs/dbraw/zinc/37/30/34/673373034.db2.gz SLGAGPTXLJEEGU-LLVKDONJSA-N -1 1 359.813 2.153 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccc(C)c(C)c1 ZINC000613573219 676135063 /nfs/dbraw/zinc/13/50/63/676135063.db2.gz JIEPOJVHQNAFJS-OAHLLOKOSA-N -1 1 365.455 2.343 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1 ZINC000538131466 673423116 /nfs/dbraw/zinc/42/31/16/673423116.db2.gz LTQFJTBWNHAAFY-UHFFFAOYSA-N -1 1 351.428 2.251 20 0 FEADMM CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613664442 676139998 /nfs/dbraw/zinc/13/99/98/676139998.db2.gz OXIPMFXYKLKVSY-UHFFFAOYSA-N -1 1 357.391 2.438 20 0 FEADMM O=C(NCCNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1Cl ZINC000538282228 673430891 /nfs/dbraw/zinc/43/08/91/673430891.db2.gz ZSDGUJCCJZRRGI-UHFFFAOYSA-N -1 1 354.740 2.484 20 0 FEADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1F ZINC000538372856 673436803 /nfs/dbraw/zinc/43/68/03/673436803.db2.gz SKAXDUWPBQTSKF-UHFFFAOYSA-N -1 1 373.431 2.092 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc([C@@H]2CNC(=O)C2)c1 ZINC000538706479 673453098 /nfs/dbraw/zinc/45/30/98/673453098.db2.gz YCGWWYYFCAGYNY-HNNXBMFYSA-N -1 1 360.435 2.237 20 0 FEADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000734417003 673462681 /nfs/dbraw/zinc/46/26/81/673462681.db2.gz ZGDOGDZBZPVXMY-HSZRJFAPSA-N -1 1 365.432 2.036 20 0 FEADMM CC(C)(NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nn[n-]n1 ZINC000539029562 673470936 /nfs/dbraw/zinc/47/09/36/673470936.db2.gz YSFPOYLIONCYPH-UHFFFAOYSA-N -1 1 366.212 2.357 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)o1 ZINC000539793745 673506711 /nfs/dbraw/zinc/50/67/11/673506711.db2.gz JLTZJABDDBNDJT-GFCCVEGCSA-N -1 1 372.487 2.432 20 0 FEADMM CC[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000539856694 673510170 /nfs/dbraw/zinc/51/01/70/673510170.db2.gz QLPXZTNJIROHQH-UHFFFAOYSA-N -1 1 355.597 2.248 20 0 FEADMM COC[C@]1(C(=O)OC)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000597964033 673524950 /nfs/dbraw/zinc/52/49/50/673524950.db2.gz RFPLPMCCBPKKGF-HNNXBMFYSA-N -1 1 361.316 2.205 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1 ZINC000540337966 673534618 /nfs/dbraw/zinc/53/46/18/673534618.db2.gz HOMPAOJERNUGGR-UHFFFAOYSA-N -1 1 370.452 2.005 20 0 FEADMM COc1cccc2c1OC[C@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000737142690 673551672 /nfs/dbraw/zinc/55/16/72/673551672.db2.gz LZMPIUGFZMNQKM-SNVBAGLBSA-N -1 1 358.789 2.339 20 0 FEADMM COc1cccc2c1OC[C@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000737142690 673551674 /nfs/dbraw/zinc/55/16/74/673551674.db2.gz LZMPIUGFZMNQKM-SNVBAGLBSA-N -1 1 358.789 2.339 20 0 FEADMM COC(=O)c1cnc([C@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)s1 ZINC000598565463 673584380 /nfs/dbraw/zinc/58/43/80/673584380.db2.gz YDHMEUOYKXKRMT-NSHDSACASA-N -1 1 361.423 2.359 20 0 FEADMM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000543048400 673622218 /nfs/dbraw/zinc/62/22/18/673622218.db2.gz KFWYMXHZKOXNHE-NKWVEPMBSA-N -1 1 358.204 2.165 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]C1(C(=O)OC)CCC(CC)CC1)C1CC1 ZINC000599252584 673648874 /nfs/dbraw/zinc/64/88/74/673648874.db2.gz TYLRVRFVGHGFTD-GULBITTBSA-N -1 1 361.504 2.233 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@@H](C(=O)OC)c1cc(C)cc(C)c1)C1CC1 ZINC000599277940 673652639 /nfs/dbraw/zinc/65/26/39/673652639.db2.gz BAGQZKJQRZOOKO-IAGOWNOFSA-N -1 1 369.483 2.252 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3cccc(C)c3C2)o1 ZINC000599375630 673665866 /nfs/dbraw/zinc/66/58/66/673665866.db2.gz OSJUWUREIQBEMQ-GFCCVEGCSA-N -1 1 365.407 2.047 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000741649402 673692837 /nfs/dbraw/zinc/69/28/37/673692837.db2.gz QZRPBUUWQBMMPT-UHFFFAOYSA-N -1 1 374.340 2.490 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2scnc2C2CCCC2)c1 ZINC000544786650 673733106 /nfs/dbraw/zinc/73/31/06/673733106.db2.gz OURMCHQWJVVRSS-UHFFFAOYSA-N -1 1 367.452 2.406 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@H]2CCO[C@H](C)C2)no1 ZINC000545096827 673744912 /nfs/dbraw/zinc/74/49/12/673744912.db2.gz DQWHZYPJMDFDTG-VWYCJHECSA-N -1 1 357.457 2.453 20 0 FEADMM CC(C)(C)n1cc(C(=O)NCc2nn[n-]n2)c(-c2ccccc2Cl)n1 ZINC000600503151 673774785 /nfs/dbraw/zinc/77/47/85/673774785.db2.gz AWXJUIDOBSRGHH-UHFFFAOYSA-N -1 1 359.821 2.402 20 0 FEADMM CCOc1cc(C(=O)Nc2nc(CC(N)=O)cs2)cc(Cl)c1[O-] ZINC000546582865 673804124 /nfs/dbraw/zinc/80/41/24/673804124.db2.gz CLWZSBBMGVFERE-UHFFFAOYSA-N -1 1 355.803 2.181 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000547434504 673850067 /nfs/dbraw/zinc/85/00/67/673850067.db2.gz LJBJOLSRFCWPKP-AWEZNQCLSA-N -1 1 361.427 2.432 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCC1(F)F)c1ccc(C)c(C)c1 ZINC000601393451 673854625 /nfs/dbraw/zinc/85/46/25/673854625.db2.gz AUDPEKHCXHGEDU-UONOGXRCSA-N -1 1 361.410 2.482 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(C)cc2C(=O)[O-])cc1 ZINC000547608591 673872675 /nfs/dbraw/zinc/87/26/75/673872675.db2.gz FWVYXKCJEVOWNL-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2scnc2C)n[n-]1 ZINC000547727808 673884195 /nfs/dbraw/zinc/88/41/95/673884195.db2.gz ABLHRZBOQKITSA-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2scnc2C)[n-]1 ZINC000547727808 673884196 /nfs/dbraw/zinc/88/41/96/673884196.db2.gz ABLHRZBOQKITSA-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2scnc2C)n1 ZINC000547727808 673884201 /nfs/dbraw/zinc/88/42/01/673884201.db2.gz ABLHRZBOQKITSA-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@H]1C(F)F ZINC000601607874 673886594 /nfs/dbraw/zinc/88/65/94/673886594.db2.gz XKWFQNBGLBWYNZ-QMMMGPOBSA-N -1 1 353.106 2.476 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]c3nccc(Cl)c32)cc1O ZINC000547883380 673896744 /nfs/dbraw/zinc/89/67/44/673896744.db2.gz BMTKKZBZHZJNRX-UHFFFAOYSA-N -1 1 367.770 2.421 20 0 FEADMM O=C(NCc1noc(C(F)(F)F)n1)c1ccc(Br)cc1[O-] ZINC000548723229 673990043 /nfs/dbraw/zinc/99/00/43/673990043.db2.gz CBMKFXXZVFOTII-UHFFFAOYSA-N -1 1 366.093 2.487 20 0 FEADMM NC(=O)Cc1csc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)n1 ZINC000548927145 674006944 /nfs/dbraw/zinc/00/69/44/674006944.db2.gz FDUJYIKWNWTVSB-UHFFFAOYSA-N -1 1 362.798 2.330 20 0 FEADMM CO[C@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@@H](C(=O)[O-])C1 ZINC000566631718 675230718 /nfs/dbraw/zinc/23/07/18/675230718.db2.gz VZHTVBCPUOAANQ-CMPLNLGQSA-N -1 1 372.215 2.242 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)s1 ZINC000566759485 675240264 /nfs/dbraw/zinc/24/02/64/675240264.db2.gz KGZHBCBBVYZWJQ-UHFFFAOYSA-N -1 1 367.412 2.194 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819758508 675313431 /nfs/dbraw/zinc/31/34/31/675313431.db2.gz JPWKRUJQSXTNLH-HNNXBMFYSA-N -1 1 358.467 2.439 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCC(C)(C)C(=O)OC(C)(C)C)c1Cl ZINC000819896550 675321115 /nfs/dbraw/zinc/32/11/15/675321115.db2.gz FPDGCSNNYNDAAP-UHFFFAOYSA-N -1 1 365.883 2.110 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1C)C1CC1 ZINC000568393607 675370881 /nfs/dbraw/zinc/37/08/81/675370881.db2.gz JAZQJTFXCUCCLC-INIZCTEOSA-N -1 1 353.419 2.487 20 0 FEADMM Cc1cccc(S(=O)(=O)CCCN(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000568521130 675380741 /nfs/dbraw/zinc/38/07/41/675380741.db2.gz SAIQTGDCPBPBKG-INIZCTEOSA-N -1 1 369.483 2.115 20 0 FEADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1c[n-]nc1C(F)(F)F ZINC000820762793 675386026 /nfs/dbraw/zinc/38/60/26/675386026.db2.gz TWPHRXGQGBFIKN-UHFFFAOYSA-N -1 1 364.301 2.407 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2nc(-c3ccc(C)cc3)n[n-]2)c1 ZINC000568775994 675399869 /nfs/dbraw/zinc/39/98/69/675399869.db2.gz ISQVXRWZKWEQJE-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2n[n-]c(-c3ccc(C)cc3)n2)c1 ZINC000568775994 675399875 /nfs/dbraw/zinc/39/98/75/675399875.db2.gz ISQVXRWZKWEQJE-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000821360640 675429959 /nfs/dbraw/zinc/42/99/59/675429959.db2.gz WDTPETNCDIHLCE-CANCMXDXSA-N -1 1 367.467 2.183 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc2cccn2cn1 ZINC000824346926 675597003 /nfs/dbraw/zinc/59/70/03/675597003.db2.gz YUGZHIHJUQKXHD-ZYHUDNBSSA-N -1 1 354.332 2.006 20 0 FEADMM CC(C)OC1(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCC1 ZINC000824754858 675620241 /nfs/dbraw/zinc/62/02/41/675620241.db2.gz RYIGEAXMPAUTQJ-NEPJUHHUSA-N -1 1 350.381 2.250 20 0 FEADMM COC(=O)c1oc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1C ZINC000824990875 675632156 /nfs/dbraw/zinc/63/21/56/675632156.db2.gz ODQYBKBYLGRGKE-UHFFFAOYSA-N -1 1 368.411 2.367 20 0 FEADMM CSCCCCCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826228127 675684407 /nfs/dbraw/zinc/68/44/07/675684407.db2.gz FUXIKDZWCHWDCS-UHFFFAOYSA-N -1 1 373.479 2.208 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826345395 675686241 /nfs/dbraw/zinc/68/62/41/675686241.db2.gz KITSWLPRMHCNHQ-SSDOTTSWSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000826345395 675686242 /nfs/dbraw/zinc/68/62/42/675686242.db2.gz KITSWLPRMHCNHQ-SSDOTTSWSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1onc(CC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826343988 675686407 /nfs/dbraw/zinc/68/64/07/675686407.db2.gz UFPXFUVKGYYLNN-CYBMUJFWSA-N -1 1 358.789 2.333 20 0 FEADMM Cc1onc(CC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826343988 675686409 /nfs/dbraw/zinc/68/64/09/675686409.db2.gz UFPXFUVKGYYLNN-CYBMUJFWSA-N -1 1 358.789 2.333 20 0 FEADMM Cc1onc(CC(=O)NCc2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826348152 675686855 /nfs/dbraw/zinc/68/68/55/675686855.db2.gz XKWNFQLRPUUKDQ-UHFFFAOYSA-N -1 1 367.196 2.329 20 0 FEADMM Cc1onc(CC(=O)NCc2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826348152 675686857 /nfs/dbraw/zinc/68/68/57/675686857.db2.gz XKWNFQLRPUUKDQ-UHFFFAOYSA-N -1 1 367.196 2.329 20 0 FEADMM Cc1onc(CC(=O)NCCCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826347164 675686894 /nfs/dbraw/zinc/68/68/94/675686894.db2.gz HBPDTWAFDDQSKY-UHFFFAOYSA-N -1 1 360.805 2.108 20 0 FEADMM Cc1onc(CC(=O)NCCCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826347164 675686896 /nfs/dbraw/zinc/68/68/96/675686896.db2.gz HBPDTWAFDDQSKY-UHFFFAOYSA-N -1 1 360.805 2.108 20 0 FEADMM O[C@@H](CCc1ccccc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826502760 675689540 /nfs/dbraw/zinc/68/95/40/675689540.db2.gz KDQTXXNAVIUCRD-JTQLQIEISA-N -1 1 350.835 2.382 20 0 FEADMM O[C@@H](CCc1ccccc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826502760 675689542 /nfs/dbraw/zinc/68/95/42/675689542.db2.gz KDQTXXNAVIUCRD-JTQLQIEISA-N -1 1 350.835 2.382 20 0 FEADMM C[C@@H]1CCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826686142 675700133 /nfs/dbraw/zinc/70/01/33/675700133.db2.gz NPUXUICAROZOEN-SAXRGWBVSA-N -1 1 362.392 2.250 20 0 FEADMM O=C1COc2cc([N-]S(=O)(=O)c3ccc4ncccc4c3)ccc2N1 ZINC000607613858 675870516 /nfs/dbraw/zinc/87/05/16/675870516.db2.gz FDDZKVGQSYFMLJ-UHFFFAOYSA-N -1 1 355.375 2.367 20 0 FEADMM CCc1cc(=O)[n-]c(SCCCON2C(=O)c3ccccc3C2=O)n1 ZINC000829463543 675879871 /nfs/dbraw/zinc/87/98/71/675879871.db2.gz MWTZBHHEGFPNAE-UHFFFAOYSA-N -1 1 359.407 2.455 20 0 FEADMM COc1cc(NC(=O)N2C[C@@H](C)S[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000608304007 675888363 /nfs/dbraw/zinc/88/83/63/675888363.db2.gz ITPCUJMPOIIHHL-PHIMTYICSA-N -1 1 373.500 2.424 20 0 FEADMM CCOC(=O)N1CCC([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000829736030 675888903 /nfs/dbraw/zinc/88/89/03/675888903.db2.gz BHAYPIZZEMZNIT-UHFFFAOYSA-N -1 1 352.865 2.301 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C(C)(C)c2ccccc2Cl)n[n-]1 ZINC000615919800 676233655 /nfs/dbraw/zinc/23/36/55/676233655.db2.gz MIJUZCKSYPDSAJ-UHFFFAOYSA-N -1 1 350.806 2.229 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C(C)(C)c2ccccc2Cl)n1 ZINC000615919800 676233656 /nfs/dbraw/zinc/23/36/56/676233656.db2.gz MIJUZCKSYPDSAJ-UHFFFAOYSA-N -1 1 350.806 2.229 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000617609984 676295198 /nfs/dbraw/zinc/29/51/98/676295198.db2.gz ZDUAUKCVKYBPTH-UHFFFAOYSA-N -1 1 370.192 2.402 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2F)C(C)C)co1 ZINC000617993347 676315241 /nfs/dbraw/zinc/31/52/41/676315241.db2.gz PNNBGPGAXXUWNN-OAHLLOKOSA-N -1 1 354.403 2.454 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2c(C3CC3)cnn2C)c(=O)[n-]1 ZINC000618559721 676344415 /nfs/dbraw/zinc/34/44/15/676344415.db2.gz WAQXMNLRWCZWDT-UHFFFAOYSA-N -1 1 361.471 2.072 20 0 FEADMM CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)[nH]1 ZINC000618907107 676356199 /nfs/dbraw/zinc/35/61/99/676356199.db2.gz SGLOUJHMFWQAEN-UHFFFAOYSA-N -1 1 353.400 2.013 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CCc2cscn2)n[n-]1 ZINC000619566177 676385225 /nfs/dbraw/zinc/38/52/25/676385225.db2.gz VWEBMTKANADBOX-GFCCVEGCSA-N -1 1 365.459 2.274 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CCc2cscn2)[n-]1 ZINC000619566177 676385227 /nfs/dbraw/zinc/38/52/27/676385227.db2.gz VWEBMTKANADBOX-GFCCVEGCSA-N -1 1 365.459 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CCc2cscn2)n1 ZINC000619566177 676385228 /nfs/dbraw/zinc/38/52/28/676385228.db2.gz VWEBMTKANADBOX-GFCCVEGCSA-N -1 1 365.459 2.274 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)COc2ccc(Br)cc2)n1 ZINC000619865273 676397791 /nfs/dbraw/zinc/39/77/91/676397791.db2.gz JUODUNWZZVWQTB-UHFFFAOYSA-N -1 1 368.187 2.366 20 0 FEADMM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000619978133 676401659 /nfs/dbraw/zinc/40/16/59/676401659.db2.gz WCKVUXWCTMXBFP-LLVKDONJSA-N -1 1 359.348 2.239 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc(-c2cccs2)on1 ZINC000622611695 676502871 /nfs/dbraw/zinc/50/28/71/676502871.db2.gz IQCDJDKJFZJHNQ-AWEZNQCLSA-N -1 1 352.379 2.436 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)nc2n1 ZINC000622993697 676514572 /nfs/dbraw/zinc/51/45/72/676514572.db2.gz XLFJTTTUMUQOAP-RKDXNWHRSA-N -1 1 363.830 2.437 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3C[C@@H]3c3sccc3C)nc2n1 ZINC000622997116 676514765 /nfs/dbraw/zinc/51/47/65/676514765.db2.gz MARJMPMYOPFWSU-RYUDHWBXSA-N -1 1 357.439 2.482 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3sccc3OC(F)F)nc2n1 ZINC000622996446 676514894 /nfs/dbraw/zinc/51/48/94/676514894.db2.gz NZVLXQCTSZSKAM-UHFFFAOYSA-N -1 1 369.353 2.285 20 0 FEADMM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000624516973 676583017 /nfs/dbraw/zinc/58/30/17/676583017.db2.gz XUWCUFXFGGRINN-UHFFFAOYSA-N -1 1 355.319 2.114 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000625327373 676639500 /nfs/dbraw/zinc/63/95/00/676639500.db2.gz DHDMCTDKHXEGKS-LBPRGKRZSA-N -1 1 369.315 2.384 20 0 FEADMM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000626180026 676695026 /nfs/dbraw/zinc/69/50/26/676695026.db2.gz LDDJVJISEVVQNX-UHFFFAOYSA-N -1 1 369.346 2.200 20 0 FEADMM CCO[C@@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-])C(C)C ZINC000626339136 676700960 /nfs/dbraw/zinc/70/09/60/676700960.db2.gz UVHGSVSJQODXTN-MRXNPFEDSA-N -1 1 372.487 2.422 20 0 FEADMM CCN(CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)CCC(F)(F)F ZINC000626761318 676721189 /nfs/dbraw/zinc/72/11/89/676721189.db2.gz RNSCCTAAQOWETJ-NWDGAFQWSA-N -1 1 353.385 2.013 20 0 FEADMM O=C(Cc1cc(C(F)(F)F)ccn1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000626846434 676724496 /nfs/dbraw/zinc/72/44/96/676724496.db2.gz QUDDJZDWDHMHKU-SECBINFHSA-N -1 1 356.304 2.138 20 0 FEADMM CC(C)C(=O)N[C@@H](CO)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233494 676795318 /nfs/dbraw/zinc/79/53/18/676795318.db2.gz GLBXBJOPPOMDCI-AWEZNQCLSA-N -1 1 350.802 2.270 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)C2(C)CCCC2)o1 ZINC000628999736 676827664 /nfs/dbraw/zinc/82/76/64/676827664.db2.gz XAFZNWBFDFXEOR-UHFFFAOYSA-N -1 1 370.471 2.236 20 0 FEADMM COCCOc1ncccc1[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000629289010 676840968 /nfs/dbraw/zinc/84/09/68/676840968.db2.gz WJTMUJLOYDMJFW-UHFFFAOYSA-N -1 1 372.393 2.369 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)Nc2cnn(CCF)c2)c(C)c1CC(=O)[O-] ZINC000629316845 676845792 /nfs/dbraw/zinc/84/57/92/676845792.db2.gz CMUHQHKHXHLVQL-UHFFFAOYSA-N -1 1 369.418 2.206 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000630224290 676887966 /nfs/dbraw/zinc/88/79/66/676887966.db2.gz QWOBKVBYPLMGJA-UHFFFAOYSA-N -1 1 361.467 2.219 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000630226918 676888637 /nfs/dbraw/zinc/88/86/37/676888637.db2.gz XOHXYPNLHCFURB-KCPJHIHWSA-N -1 1 352.381 2.076 20 0 FEADMM CO[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[C@](C)(C(=O)[O-])C1 ZINC000630309854 676892781 /nfs/dbraw/zinc/89/27/81/676892781.db2.gz IESROEKPYGSZRF-SJCJKPOMSA-N -1 1 363.801 2.434 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000630681568 676916325 /nfs/dbraw/zinc/91/63/25/676916325.db2.gz JNSWDLFTLYXSEV-UONOGXRCSA-N -1 1 368.455 2.068 20 0 FEADMM O=C(CCc1nn[n-]n1)Nc1cc(Br)ccc1NC1CC1 ZINC000631587891 676948611 /nfs/dbraw/zinc/94/86/11/676948611.db2.gz OFELDTDFDZXRDV-UHFFFAOYSA-N -1 1 351.208 2.108 20 0 FEADMM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C)ns2)cc1OC ZINC000631915167 676963854 /nfs/dbraw/zinc/96/38/54/676963854.db2.gz GQLVVGWUNVURMT-NSHDSACASA-N -1 1 356.469 2.378 20 0 FEADMM CC(C)(C)OCCS(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000631999549 676969802 /nfs/dbraw/zinc/96/98/02/676969802.db2.gz JOTUHODOEDCXBA-UHFFFAOYSA-N -1 1 369.483 2.432 20 0 FEADMM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCO1 ZINC000632161194 676979105 /nfs/dbraw/zinc/97/91/05/676979105.db2.gz STTWURRKJBRIDI-SCZZXKLOSA-N -1 1 355.382 2.301 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)sn1 ZINC000632160610 676979129 /nfs/dbraw/zinc/97/91/29/676979129.db2.gz HMKPXQIDVHDJRM-HIFRSBDPSA-N -1 1 373.450 2.453 20 0 FEADMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)C1(C)C ZINC000632267678 676984542 /nfs/dbraw/zinc/98/45/42/676984542.db2.gz DQYJBFQXWSIABP-HZMBPMFUSA-N -1 1 353.387 2.062 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000678478973 679730441 /nfs/dbraw/zinc/73/04/41/679730441.db2.gz PBESNVKOPDNKEZ-UHFFFAOYSA-N -1 1 366.464 2.273 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)C2(N3CCOCC3)CC2)c1 ZINC000632324294 676988079 /nfs/dbraw/zinc/98/80/79/676988079.db2.gz VOUAEWQHSDJPQB-UHFFFAOYSA-N -1 1 355.232 2.266 20 0 FEADMM O=C(CCCCO)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000678477015 679730553 /nfs/dbraw/zinc/73/05/53/679730553.db2.gz BKPPCQMDTWJHLA-UHFFFAOYSA-N -1 1 362.451 2.266 20 0 FEADMM CC1(C)[C@H](N2CCOCC2)C[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000632501730 676998000 /nfs/dbraw/zinc/99/80/00/676998000.db2.gz GBHMKJSJNLEYQJ-NWDGAFQWSA-N -1 1 364.920 2.179 20 0 FEADMM Cn1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)CCO2)cn1 ZINC000632531162 677000120 /nfs/dbraw/zinc/00/01/20/677000120.db2.gz CQEDRJYHLCLQSJ-TZMCWYRMSA-N -1 1 373.837 2.411 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)N1CCCC1 ZINC000632599522 677004287 /nfs/dbraw/zinc/00/42/87/677004287.db2.gz UPDMYCATHIFATG-UHFFFAOYSA-N -1 1 350.387 2.144 20 0 FEADMM C[C@@H](CC1CCC1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000632694070 677010791 /nfs/dbraw/zinc/01/07/91/677010791.db2.gz GSHMCMARUJEDQY-JTQLQIEISA-N -1 1 364.464 2.054 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)[C@@H](O)c1c(F)cccc1Cl ZINC000830759878 677059378 /nfs/dbraw/zinc/05/93/78/677059378.db2.gz JAARIWYVQVMAFZ-KSBSHMNSSA-N -1 1 368.217 2.256 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC000830789629 677060616 /nfs/dbraw/zinc/06/06/16/677060616.db2.gz KDSNMDPTGAIDJK-XJKSGUPXSA-N -1 1 356.344 2.318 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000830795669 677061199 /nfs/dbraw/zinc/06/11/99/677061199.db2.gz NFGLCAFLAIAZKM-YOEHRIQHSA-N -1 1 354.372 2.461 20 0 FEADMM Cc1nc2cccc(C(=O)N3CC[C@@](C)([N-]C(=O)C(F)(F)F)C3)c2[nH]1 ZINC000830801150 677061447 /nfs/dbraw/zinc/06/14/47/677061447.db2.gz ICIQZIINJYKNIA-OAHLLOKOSA-N -1 1 354.332 2.154 20 0 FEADMM C[C@H](OCc1ccccc1)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830807069 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COCC1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000640553564 677183573 /nfs/dbraw/zinc/18/35/73/677183573.db2.gz HFQCHHVDVMAEHU-UHFFFAOYSA-N -1 1 360.435 2.206 20 0 FEADMM O=S(=O)([N-]c1cccc2[nH]nnc21)C1(COCc2ccccc2)CC1 ZINC000641688754 677214003 /nfs/dbraw/zinc/21/40/03/677214003.db2.gz LZMLDUIMNMMXBC-UHFFFAOYSA-N -1 1 358.423 2.449 20 0 FEADMM O=c1[nH]cc(S(=O)(=O)[N-]c2nn(CC(F)(F)F)cc2Cl)s1 ZINC000641691242 677214074 /nfs/dbraw/zinc/21/40/74/677214074.db2.gz BBNAXFRMULNJFX-UHFFFAOYSA-N -1 1 362.742 2.062 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000642992003 677222709 /nfs/dbraw/zinc/22/27/09/677222709.db2.gz LWRGZFHMJXEUBN-ZDUSSCGKSA-N -1 1 360.435 2.359 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H](C)S1(=O)=O ZINC000644643194 677247216 /nfs/dbraw/zinc/24/72/16/677247216.db2.gz BUTQQHNLQQJTHD-IUCAKERBSA-N -1 1 351.346 2.059 20 0 FEADMM C[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)n1cccn1 ZINC000644704566 677247927 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ZINC000908747685 691722213 /nfs/dbraw/zinc/72/22/13/691722213.db2.gz USHLYWUYMRJRRR-SWLSCSKDSA-N -1 1 363.439 2.337 20 0 FEADMM Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1OCC(F)F ZINC000908771741 691727549 /nfs/dbraw/zinc/72/75/49/691727549.db2.gz KAJVWBWWKTVMDK-LBPRGKRZSA-N -1 1 356.369 2.374 20 0 FEADMM Cc1nc2c(s1)[C@H](N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1)CCC2 ZINC000908800196 691732358 /nfs/dbraw/zinc/73/23/58/691732358.db2.gz OPRKBDHJINYCOT-TZMCWYRMSA-N -1 1 351.472 2.084 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1ccsc1 ZINC000908814274 691734190 /nfs/dbraw/zinc/73/41/90/691734190.db2.gz QCLKKFBFSBILPF-UWVGGRQHSA-N -1 1 353.366 2.056 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccsc1 ZINC000908814276 691734267 /nfs/dbraw/zinc/73/42/67/691734267.db2.gz QCLKKFBFSBILPF-ZJUUUORDSA-N -1 1 353.366 2.056 20 0 FEADMM CC[C@H](C)C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000909095912 691777584 /nfs/dbraw/zinc/77/75/84/691777584.db2.gz 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ZINC000909519625 691831080 /nfs/dbraw/zinc/83/10/80/691831080.db2.gz NOUOVDHCLFLLKC-UHFFFAOYSA-N -1 1 352.475 2.171 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000909728053 691849344 /nfs/dbraw/zinc/84/93/44/691849344.db2.gz PJSFHCGQPLOCGB-ZBFHGGJFSA-N -1 1 366.845 2.037 20 0 FEADMM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)C12CCC2 ZINC000910034208 691882809 /nfs/dbraw/zinc/88/28/09/691882809.db2.gz UKPYOGVQULWEGH-RRFJBIMHSA-N -1 1 352.475 2.026 20 0 FEADMM O=C([O-])[C@@H]1CSCCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000910148344 691894814 /nfs/dbraw/zinc/89/48/14/691894814.db2.gz AOIXYSRDPIIXMJ-AWEZNQCLSA-N -1 1 357.435 2.137 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000910175850 691896679 /nfs/dbraw/zinc/89/66/79/691896679.db2.gz VFLSTZJESALLJM-DCGLDWPTSA-N -1 1 366.483 2.005 20 0 FEADMM CN(CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])[C@@H]1CCSC1 ZINC000910314632 691915052 /nfs/dbraw/zinc/91/50/52/691915052.db2.gz LAHGNRQXODULKL-RHSMWYFYSA-N -1 1 370.902 2.279 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H](F)C(F)(F)F)o1 ZINC000800134074 674023512 /nfs/dbraw/zinc/02/35/12/674023512.db2.gz ARIWKGBJUADJSO-QMMMGPOBSA-N -1 1 361.313 2.414 20 0 FEADMM O=C(NCCS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000800350401 674044468 /nfs/dbraw/zinc/04/44/68/674044468.db2.gz LXXKZIGRNQZITR-UHFFFAOYSA-N -1 1 367.854 2.433 20 0 FEADMM COC(=O)c1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)ccc1OC ZINC000007214718 539451221 /nfs/dbraw/zinc/45/12/21/539451221.db2.gz AULGKVVFGZGCPW-UHFFFAOYSA-N -1 1 371.361 2.239 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000011176599 539524967 /nfs/dbraw/zinc/52/49/67/539524967.db2.gz BZSGUILTDXXLAL-UHFFFAOYSA-N -1 1 362.363 2.017 20 0 FEADMM CCOCCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000017401769 539642236 /nfs/dbraw/zinc/64/22/36/539642236.db2.gz ZLDZTOLHNNNEMZ-UHFFFAOYSA-N -1 1 350.444 2.159 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cc(Cl)c[nH]1 ZINC000021006441 539680123 /nfs/dbraw/zinc/68/01/23/539680123.db2.gz ZVDZDPYADYMVFY-UHFFFAOYSA-N -1 1 369.830 2.411 20 0 FEADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000024218915 539728331 /nfs/dbraw/zinc/72/83/31/539728331.db2.gz HSBBJUVVATYZSJ-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000025510129 539762004 /nfs/dbraw/zinc/76/20/04/539762004.db2.gz BICZBZVRTJYUSL-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(NC(N)=O)cc2)c(=O)[n-]1 ZINC000026355281 539785084 /nfs/dbraw/zinc/78/50/84/539785084.db2.gz UQGCZOVDZYIYML-UHFFFAOYSA-N -1 1 361.427 2.274 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1 ZINC000028250051 539829310 /nfs/dbraw/zinc/82/93/10/539829310.db2.gz USYBRRHRNBLPDQ-UHFFFAOYSA-N -1 1 368.436 2.062 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCC1 ZINC000030019253 539873440 /nfs/dbraw/zinc/87/34/40/539873440.db2.gz PFQCKSSBULGUDF-UHFFFAOYSA-N -1 1 374.418 2.105 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1OC ZINC000031776993 539918914 /nfs/dbraw/zinc/91/89/14/539918914.db2.gz LQOPKIWLAHAAQX-UHFFFAOYSA-N -1 1 374.422 2.300 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000032086235 539928023 /nfs/dbraw/zinc/92/80/23/539928023.db2.gz KGMUHOKKYWMKBB-UHFFFAOYSA-N -1 1 356.407 2.237 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)o1 ZINC000032658173 539947057 /nfs/dbraw/zinc/94/70/57/539947057.db2.gz TUMWUFHFIKPXRT-UHFFFAOYSA-N -1 1 363.439 2.430 20 0 FEADMM CCCCCNC(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801809 540141733 /nfs/dbraw/zinc/14/17/33/540141733.db2.gz LQOAJPFWWUMAOY-GFCCVEGCSA-N -1 1 357.476 2.174 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801821 540141919 /nfs/dbraw/zinc/14/19/19/540141919.db2.gz CVGUPQKQPADWJA-VXGBXAGGSA-N -1 1 357.476 2.172 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c(F)c1 ZINC000800974577 674095573 /nfs/dbraw/zinc/09/55/73/674095573.db2.gz KQZPNFGHGNGZBG-AWEZNQCLSA-N -1 1 357.382 2.063 20 0 FEADMM COc1ccnc(N2CCN(C(=O)N=c3ccc(C4CC4)n[n-]3)CC2)c1 ZINC000532569643 540174690 /nfs/dbraw/zinc/17/46/90/540174690.db2.gz XGKODCTWJNXOFU-UHFFFAOYSA-N -1 1 354.414 2.112 20 0 FEADMM O=C(CCn1cncn1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119706 540290332 /nfs/dbraw/zinc/29/03/32/540290332.db2.gz HDMYLHZZLKUDTE-UHFFFAOYSA-N -1 1 371.422 2.108 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@@H]2CCCO2)c1 ZINC000047431194 540310477 /nfs/dbraw/zinc/31/04/77/540310477.db2.gz AGDNERAHJHNOOZ-ZDUSSCGKSA-N -1 1 370.471 2.320 20 0 FEADMM COc1ccc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000047327797 540303891 /nfs/dbraw/zinc/30/38/91/540303891.db2.gz CJUDBMJTZKQVSN-UHFFFAOYSA-N -1 1 364.405 2.008 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(=O)[n-]1 ZINC000054684502 540603088 /nfs/dbraw/zinc/60/30/88/540603088.db2.gz ALVLVJGNGZXCRI-LLVKDONJSA-N -1 1 371.466 2.487 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1C(N)=O ZINC000055593831 540662692 /nfs/dbraw/zinc/66/26/92/540662692.db2.gz KNNMJUHFNDWXQC-UHFFFAOYSA-N -1 1 362.407 2.402 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000055632789 540666200 /nfs/dbraw/zinc/66/62/00/540666200.db2.gz NTJBRCDHBPOIFZ-UHFFFAOYSA-N -1 1 356.407 2.132 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1 ZINC000055621953 540664438 /nfs/dbraw/zinc/66/44/38/540664438.db2.gz VIXHIULFJSSUQA-UHFFFAOYSA-N -1 1 368.842 2.171 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1F ZINC000055678422 540670199 /nfs/dbraw/zinc/67/01/99/540670199.db2.gz OVMMOKNQFARAHU-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCc2ccccc21 ZINC000056283544 540716384 /nfs/dbraw/zinc/71/63/84/540716384.db2.gz KMBZWJOKSKPTSZ-GOSISDBHSA-N -1 1 360.417 2.487 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCc1ccsc1 ZINC000056887549 540752911 /nfs/dbraw/zinc/75/29/11/540752911.db2.gz 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ZINC000067050651 541411014 /nfs/dbraw/zinc/41/10/14/541411014.db2.gz LWXKNIXQOWYRNE-SECBINFHSA-N -1 1 367.862 2.049 20 0 FEADMM C[C@]1(C(=O)NCc2n[n-]c(=S)n2C2CC2)Cc2ccccc2C(=O)O1 ZINC000067070249 541413388 /nfs/dbraw/zinc/41/33/88/541413388.db2.gz ACYBRFMAPSVHBW-QGZVFWFLSA-N -1 1 358.423 2.064 20 0 FEADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000067542204 541477973 /nfs/dbraw/zinc/47/79/73/541477973.db2.gz MGMPEIVCYYTDIJ-KBPBESRZSA-N -1 1 370.453 2.492 20 0 FEADMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000067899583 541526293 /nfs/dbraw/zinc/52/62/93/541526293.db2.gz HHMQFMWVIURPBG-UHFFFAOYSA-N -1 1 350.465 2.492 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C ZINC000068038774 541541118 /nfs/dbraw/zinc/54/11/18/541541118.db2.gz GIEVTPYUOABIGS-UHFFFAOYSA-N -1 1 364.471 2.152 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1NC(C)=O ZINC000068075811 541544633 /nfs/dbraw/zinc/54/46/33/541544633.db2.gz JHCFZZURXKPJGR-UHFFFAOYSA-N -1 1 362.407 2.485 20 0 FEADMM CSCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000068216466 541564395 /nfs/dbraw/zinc/56/43/95/541564395.db2.gz JZIQEVSPWMZBOM-UHFFFAOYSA-N -1 1 362.432 2.234 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)o1 ZINC000068220987 541564893 /nfs/dbraw/zinc/56/48/93/541564893.db2.gz IOYSITWGFHHPDW-UHFFFAOYSA-N -1 1 352.387 2.136 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)CCOc2cccc(C=O)c2)CC1 ZINC000068426961 541589861 /nfs/dbraw/zinc/58/98/61/541589861.db2.gz YTYRLPINWFUUDX-UHFFFAOYSA-N -1 1 374.466 2.465 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC000068452681 541594437 /nfs/dbraw/zinc/59/44/37/541594437.db2.gz OHDQQPNBNGZESW-JSGCOSHPSA-N -1 1 368.503 2.251 20 0 FEADMM CCOCCO[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068453764 541594500 /nfs/dbraw/zinc/59/45/00/541594500.db2.gz NNLPDKRMYNAZRF-LBPRGKRZSA-N -1 1 356.492 2.108 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)OCCC(C)C)cc1[N-]S(C)(=O)=O ZINC000068850256 541635276 /nfs/dbraw/zinc/63/52/76/541635276.db2.gz IVNLGBXGGMVBIO-GFCCVEGCSA-N -1 1 358.460 2.456 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCN1c1ccccc1 ZINC000068942101 541643071 /nfs/dbraw/zinc/64/30/71/541643071.db2.gz MSFAUTPQKIJSLV-GFCCVEGCSA-N -1 1 370.352 2.188 20 0 FEADMM O=S(=O)(Cc1noc(C2CC2)n1)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300416 541676147 /nfs/dbraw/zinc/67/61/47/541676147.db2.gz WYOTVUPEQFAGHE-UHFFFAOYSA-N -1 1 351.432 2.162 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000072619466 541839585 /nfs/dbraw/zinc/83/95/85/541839585.db2.gz DGIUCTFAUCCWPS-CQSZACIVSA-N -1 1 366.414 2.127 20 0 FEADMM O=C(OCc1cc(=O)c(O)co1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374320 674124689 /nfs/dbraw/zinc/12/46/89/674124689.db2.gz FSCVSHLGBAOTOS-UHFFFAOYSA-N -1 1 362.725 2.247 20 0 FEADMM CC(C)CNC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374602 674124737 /nfs/dbraw/zinc/12/47/37/674124737.db2.gz NPIUUWALMRCCSS-UHFFFAOYSA-N -1 1 351.790 2.160 20 0 FEADMM CN(C)c1noc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])n1 ZINC000801360850 674124414 /nfs/dbraw/zinc/12/44/14/674124414.db2.gz PYVODCFQZCDDCS-UHFFFAOYSA-N -1 1 363.761 2.037 20 0 FEADMM CS(=O)(=O)CCCCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801372473 674124825 /nfs/dbraw/zinc/12/48/25/674124825.db2.gz AZCPFDZDMIDUFX-UHFFFAOYSA-N -1 1 372.830 2.213 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@H](O)C(F)(F)F ZINC000551160642 674127411 /nfs/dbraw/zinc/12/74/11/674127411.db2.gz QXIIDMDTRZIWHA-KOLCDFICSA-N -1 1 358.382 2.093 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)c2cccs2)CCc2ccccc21 ZINC000072994358 541906329 /nfs/dbraw/zinc/90/63/29/541906329.db2.gz WIUIWFUPBPODGG-MRXNPFEDSA-N -1 1 351.449 2.431 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000073133432 541922385 /nfs/dbraw/zinc/92/23/85/541922385.db2.gz HPCHFMJZYUNYQJ-AWEZNQCLSA-N -1 1 358.364 2.275 20 0 FEADMM Cc1cc(C(=O)Nc2ccc3scnc3c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000073248163 541935035 /nfs/dbraw/zinc/93/50/35/541935035.db2.gz GVTJFDCZUQGKSR-UHFFFAOYSA-N -1 1 353.363 2.194 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2o1 ZINC000078329283 542455544 /nfs/dbraw/zinc/45/55/44/542455544.db2.gz UCRLAQUZLNRWCO-UHFFFAOYSA-N -1 1 359.363 2.382 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CC=CCC1 ZINC000058436705 221118986 /nfs/dbraw/zinc/11/89/86/221118986.db2.gz DSRPTPJDNLYMGN-CYBMUJFWSA-N -1 1 350.440 2.472 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CC(=O)N(C(C)(C)C)C3)nc2)[n-]c(=O)c1C ZINC000080691029 542602387 /nfs/dbraw/zinc/60/23/87/542602387.db2.gz AJEVPGXWZZVVSA-CQSZACIVSA-N -1 1 355.442 2.260 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](OCCC(C)C)C2)c(=O)[n-]1 ZINC000081607591 542668559 /nfs/dbraw/zinc/66/85/59/542668559.db2.gz YAWHNJZTUBVDDN-CQSZACIVSA-N -1 1 367.515 2.396 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2c(c1)CCO2 ZINC000091161062 542795956 /nfs/dbraw/zinc/79/59/56/542795956.db2.gz BERGMVWFVHELER-UHFFFAOYSA-N -1 1 350.371 2.384 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1ccc(Cl)cc1 ZINC000103938196 543118560 /nfs/dbraw/zinc/11/85/60/543118560.db2.gz NMNGLMPPKLWCEZ-UHFFFAOYSA-N -1 1 358.829 2.194 20 0 FEADMM COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000103940235 543118643 /nfs/dbraw/zinc/11/86/43/543118643.db2.gz IVCYOJVTOJZBDE-CYBMUJFWSA-N -1 1 368.437 2.376 20 0 FEADMM CCN1CCCC[C@@H]1C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000104142028 543124887 /nfs/dbraw/zinc/12/48/87/543124887.db2.gz VUQAMEMYNYBAQZ-LLVKDONJSA-N -1 1 366.516 2.338 20 0 FEADMM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000104929501 543151156 /nfs/dbraw/zinc/15/11/56/543151156.db2.gz VFWGTNUZACMHOA-SNVBAGLBSA-N -1 1 357.740 2.494 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)ccc1F ZINC000105590502 543177593 /nfs/dbraw/zinc/17/75/93/543177593.db2.gz JSBITTJIVJNNAN-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM O=C(CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)NC1CCCCC1 ZINC000108592834 543296244 /nfs/dbraw/zinc/29/62/44/543296244.db2.gz YUTCMWPGXSWTQH-UHFFFAOYSA-N -1 1 368.503 2.150 20 0 FEADMM C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592948 543296657 /nfs/dbraw/zinc/29/66/57/543296657.db2.gz GZQCBSVFGCTMEU-ZDUSSCGKSA-N -1 1 368.503 2.102 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](N2CCCC2=O)C1 ZINC000111648870 543410325 /nfs/dbraw/zinc/41/03/25/543410325.db2.gz SGXZNNACZAAWRX-GFCCVEGCSA-N -1 1 367.243 2.382 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2ccncc2)no1 ZINC000113739562 543496106 /nfs/dbraw/zinc/49/61/06/543496106.db2.gz CVQCQNXBHSKUAW-UHFFFAOYSA-N -1 1 360.377 2.371 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCCN1c1ccccc1 ZINC000114500471 543521894 /nfs/dbraw/zinc/52/18/94/543521894.db2.gz DUQSAGRJUWLQDQ-OAHLLOKOSA-N -1 1 366.389 2.439 20 0 FEADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCC(=O)OC(C)(C)C)c1 ZINC000115461601 543569300 /nfs/dbraw/zinc/56/93/00/543569300.db2.gz YKJQBDXPEBSXSJ-UHFFFAOYSA-N -1 1 362.455 2.374 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCc2ccccc2C1 ZINC000117163596 543623767 /nfs/dbraw/zinc/62/37/67/543623767.db2.gz AJKUVQOUKQSVBX-HNNXBMFYSA-N -1 1 364.449 2.103 20 0 FEADMM CCCCN(C)C(=O)C1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000122889866 543729965 /nfs/dbraw/zinc/72/99/65/543729965.db2.gz XLIOZPGRRXFXHT-UHFFFAOYSA-N -1 1 370.453 2.034 20 0 FEADMM CCC1(CC)[C@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H]1OC ZINC000123280234 543752745 /nfs/dbraw/zinc/75/27/45/543752745.db2.gz HEGZIXDRNYAOQB-CVEARBPZSA-N -1 1 374.485 2.234 20 0 FEADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Br)CN1C1CC1 ZINC000123982389 543794727 /nfs/dbraw/zinc/79/47/27/543794727.db2.gz DTXKEFMZOKYTNB-DTWKUNHWSA-N -1 1 365.318 2.414 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(CCc2ccccc2)n1)c1nn[n-]n1 ZINC000124674452 543836255 /nfs/dbraw/zinc/83/62/55/543836255.db2.gz QPBNXOWARNGNMP-GFCCVEGCSA-N -1 1 356.455 2.317 20 0 FEADMM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ncccc1[O-] ZINC000127012249 543968537 /nfs/dbraw/zinc/96/85/37/543968537.db2.gz CIJBYJILJVHJSH-UHFFFAOYSA-N -1 1 350.321 2.271 20 0 FEADMM Cc1ccc([C@@H](NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)C2CC2)cc1 ZINC000127135762 543974886 /nfs/dbraw/zinc/97/48/86/543974886.db2.gz KZVNZMSMLGDWAI-MRXNPFEDSA-N -1 1 374.466 2.032 20 0 FEADMM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127213120 543978371 /nfs/dbraw/zinc/97/83/71/543978371.db2.gz LDIAUMNAPIAKHU-VXGBXAGGSA-N -1 1 362.455 2.030 20 0 FEADMM C[C@H](CN1CCCCC1)NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000126685857 543950470 /nfs/dbraw/zinc/95/04/70/543950470.db2.gz OMMLRMFSLIOXIW-GFCCVEGCSA-N -1 1 363.487 2.000 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 ZINC000128288631 544044207 /nfs/dbraw/zinc/04/42/07/544044207.db2.gz SHETWMUAZSDALH-UHFFFAOYSA-N -1 1 351.366 2.398 20 0 FEADMM C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000129210486 544097857 /nfs/dbraw/zinc/09/78/57/544097857.db2.gz JPZCLGQNJLYDJM-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(F)cccc1Cl)NCCc1ccccc1 ZINC000131374429 544187786 /nfs/dbraw/zinc/18/77/86/544187786.db2.gz YNBBHTRYABOUKN-UHFFFAOYSA-N -1 1 370.833 2.116 20 0 FEADMM CC(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)N1CCOCC1 ZINC000131067930 544175817 /nfs/dbraw/zinc/17/58/17/544175817.db2.gz ZGKDTECHRCASTQ-AWEZNQCLSA-N -1 1 364.870 2.114 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC2(Cc3ccc(F)cc3)CC2)co1 ZINC000802792818 674198380 /nfs/dbraw/zinc/19/83/80/674198380.db2.gz OKGVTQGTMNRSJP-UHFFFAOYSA-N -1 1 353.371 2.259 20 0 FEADMM O=C(NCc1ccc(O)c(F)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000132810162 544244432 /nfs/dbraw/zinc/24/44/32/544244432.db2.gz TYTZKXWJMZEHFA-LJQANCHMSA-N -1 1 358.413 2.346 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(CCO)C1CC1 ZINC000132483320 544232292 /nfs/dbraw/zinc/23/22/92/544232292.db2.gz FQJVSZVSPDODLP-UHFFFAOYSA-N -1 1 360.435 2.084 20 0 FEADMM O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000132694711 544240924 /nfs/dbraw/zinc/24/09/24/544240924.db2.gz FZAVMCZCNHVIJF-NSHDSACASA-N -1 1 357.805 2.263 20 0 FEADMM O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000132714543 544241304 /nfs/dbraw/zinc/24/13/04/544241304.db2.gz HDEVMLUIEQJIEF-JTQLQIEISA-N -1 1 357.805 2.263 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(Sc3ccccc3)CC2)co1 ZINC000133099725 544256073 /nfs/dbraw/zinc/25/60/73/544256073.db2.gz UOIZGTJXYCRCBR-UHFFFAOYSA-N -1 1 366.464 2.242 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)c1nn[n-]n1 ZINC000136642501 544375816 /nfs/dbraw/zinc/37/58/16/544375816.db2.gz CSHPAUKBIFLHKJ-CJNGLKHVSA-N -1 1 359.430 2.146 20 0 FEADMM CCC[C@@H](NC(=O)CSc1nccn1-c1ccccc1C)c1nn[n-]n1 ZINC000136680907 544376972 /nfs/dbraw/zinc/37/69/72/544376972.db2.gz WRFXQDANCYYQIH-CYBMUJFWSA-N -1 1 371.470 2.444 20 0 FEADMM CCC1(CC)[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C[C@@H]1OC ZINC000151936280 544597196 /nfs/dbraw/zinc/59/71/96/544597196.db2.gz SKSOLTIXPKORKO-KBPBESRZSA-N -1 1 367.515 2.443 20 0 FEADMM Cc1cnc(CS(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)o1 ZINC000152062569 544611158 /nfs/dbraw/zinc/61/11/58/544611158.db2.gz GZKRIFKKHHWOTO-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM Cc1cnc(CS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)o1 ZINC000152062569 544611165 /nfs/dbraw/zinc/61/11/65/544611165.db2.gz GZKRIFKKHHWOTO-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c1 ZINC000152543427 544666885 /nfs/dbraw/zinc/66/68/85/544666885.db2.gz QQIJIABWPPXZHN-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000152684462 544683586 /nfs/dbraw/zinc/68/35/86/544683586.db2.gz HJIWGOANTVPHJP-UHFFFAOYSA-N -1 1 360.395 2.316 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n[n-]1 ZINC000153156314 544740102 /nfs/dbraw/zinc/74/01/02/544740102.db2.gz ZACWXPVYTGFKBG-UHFFFAOYSA-N -1 1 360.226 2.296 20 0 FEADMM CS[C@H]1CCCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000154473302 544911064 /nfs/dbraw/zinc/91/10/64/544911064.db2.gz JQGYCXMXHZOSJS-HNNXBMFYSA-N -1 1 372.494 2.427 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000154738843 544942731 /nfs/dbraw/zinc/94/27/31/544942731.db2.gz ZPXLGEPVNGECHW-UHFFFAOYSA-N -1 1 369.425 2.150 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000155094141 544988133 /nfs/dbraw/zinc/98/81/33/544988133.db2.gz XKXBQMGWIYXIFT-LBPRGKRZSA-N -1 1 367.243 2.382 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1nc(C(C)(C)C)no1 ZINC000155158280 544995864 /nfs/dbraw/zinc/99/58/64/544995864.db2.gz PRWNLHWNSUSIHA-SSDOTTSWSA-N -1 1 359.839 2.037 20 0 FEADMM C[C@H](O)[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000181058146 327714603 /nfs/dbraw/zinc/71/46/03/327714603.db2.gz NXMZFSOSJZDMID-HOCLYGCPSA-N -1 1 374.462 2.330 20 0 FEADMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000183317865 327811789 /nfs/dbraw/zinc/81/17/89/327811789.db2.gz WXMDPZGPWBJDPD-HTQZYQBOSA-N -1 1 370.290 2.377 20 0 FEADMM CNC(=O)c1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000553776000 674285482 /nfs/dbraw/zinc/28/54/82/674285482.db2.gz BUSDQHBGOAWIHJ-UHFFFAOYSA-N -1 1 374.796 2.456 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)(C)C)c2O)o1 ZINC000185854581 327935865 /nfs/dbraw/zinc/93/58/65/327935865.db2.gz QFFVNLUFDOCYSU-UHFFFAOYSA-N -1 1 352.412 2.443 20 0 FEADMM CCc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1ccccc1C ZINC000187352061 328019009 /nfs/dbraw/zinc/01/90/09/328019009.db2.gz FFUXDIWVODPZIT-CYBMUJFWSA-N -1 1 353.430 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(Cc3cccc(F)c3)CCC2)co1 ZINC000187532630 328031758 /nfs/dbraw/zinc/03/17/58/328031758.db2.gz BQMJFKLIRONZGQ-UHFFFAOYSA-N -1 1 366.414 2.222 20 0 FEADMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188039059 328062182 /nfs/dbraw/zinc/06/21/82/328062182.db2.gz GKWVTWJXSNDAQU-GFCCVEGCSA-N -1 1 360.234 2.198 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2ccc(S(=O)(=O)N3CCCC3)o2)n1 ZINC000188089471 328065018 /nfs/dbraw/zinc/06/50/18/328065018.db2.gz POLNLGGWULAXRJ-UHFFFAOYSA-N -1 1 369.468 2.002 20 0 FEADMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188108335 328066338 /nfs/dbraw/zinc/06/63/38/328066338.db2.gz OGCWEULFUGSSJN-MRVPVSSYSA-N -1 1 369.245 2.422 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000188252463 328075781 /nfs/dbraw/zinc/07/57/81/328075781.db2.gz GRBGFSWLOVAGDT-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1CO ZINC000189504695 328152128 /nfs/dbraw/zinc/15/21/28/328152128.db2.gz VQOBRYMHDUUNDX-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@](C)(O)C2CCCCC2)c(=O)[n-]1 ZINC000190504106 328212411 /nfs/dbraw/zinc/21/24/11/328212411.db2.gz GPBWRKKOXFQSHW-GOSISDBHSA-N -1 1 367.515 2.180 20 0 FEADMM C[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190775665 328231825 /nfs/dbraw/zinc/23/18/25/328231825.db2.gz GVNCAARTFGYXJQ-ZCFIWIBFSA-N -1 1 360.632 2.291 20 0 FEADMM O=S(=O)([N-]CCOCC(F)F)c1sccc1Br ZINC000190965292 328242449 /nfs/dbraw/zinc/24/24/49/328242449.db2.gz BOTILHHSCHNAFG-UHFFFAOYSA-N -1 1 350.206 2.071 20 0 FEADMM CCc1cc2c(CN3CCS(=O)(=O)CC[C@H]3C)cc(=O)oc2cc1[O-] ZINC000192092848 328299351 /nfs/dbraw/zinc/29/93/51/328299351.db2.gz ZHGCKKKIEQAQRK-GFCCVEGCSA-N -1 1 365.451 2.070 20 0 FEADMM CC1CCN(C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)CC1 ZINC000193037760 328353438 /nfs/dbraw/zinc/35/34/38/328353438.db2.gz HHYPGUMRZFVRAK-UHFFFAOYSA-N -1 1 351.472 2.415 20 0 FEADMM CC1CCN(C(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)CC1 ZINC000193037760 328353440 /nfs/dbraw/zinc/35/34/40/328353440.db2.gz HHYPGUMRZFVRAK-UHFFFAOYSA-N -1 1 351.472 2.415 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1cc(Br)ccc1-n1cccn1 ZINC000193326795 328368926 /nfs/dbraw/zinc/36/89/26/328368926.db2.gz CWROEUWZIWWKKJ-SNVBAGLBSA-N -1 1 374.260 2.411 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Cl ZINC000193485024 328378199 /nfs/dbraw/zinc/37/81/99/328378199.db2.gz OYDNUYLDHCZZAT-UHFFFAOYSA-N -1 1 353.787 2.319 20 0 FEADMM CNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000193819386 328397108 /nfs/dbraw/zinc/39/71/08/328397108.db2.gz JWZYULKEKOCJLH-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1F ZINC000194782763 328440253 /nfs/dbraw/zinc/44/02/53/328440253.db2.gz FYWXCOXJCBFQBI-UHFFFAOYSA-N -1 1 366.349 2.355 20 0 FEADMM NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000011204571 324369320 /nfs/dbraw/zinc/36/93/20/324369320.db2.gz IWNXCQYJPHQUSR-UHFFFAOYSA-N -1 1 362.432 2.184 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(-c4cc[nH]n4)c3)cc12 ZINC000195441757 328477331 /nfs/dbraw/zinc/47/73/31/328477331.db2.gz FYWFRNAPEZQDBV-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM O=C(NCC[C@@H]1CCOC1)c1ccc(I)c([O-])c1 ZINC000230909711 328487760 /nfs/dbraw/zinc/48/77/60/328487760.db2.gz GKOJAAMVFVZZET-SECBINFHSA-N -1 1 361.179 2.153 20 0 FEADMM O=C(NCCc1ccncc1)c1ccc(I)c([O-])c1 ZINC000230889877 328487097 /nfs/dbraw/zinc/48/70/97/328487097.db2.gz WAFDVSAWPQEYGI-UHFFFAOYSA-N -1 1 368.174 2.364 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)[C@@H](C)CO1 ZINC000230888167 328487107 /nfs/dbraw/zinc/48/71/07/328487107.db2.gz KIYFJEHTGJEFPU-IUCAKERBSA-N -1 1 361.179 2.246 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000052798269 324723558 /nfs/dbraw/zinc/72/35/58/324723558.db2.gz KHSKOCFSMSVBDX-UHFFFAOYSA-N -1 1 356.407 2.237 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(C(C)C)cc2)o1 ZINC000053577191 324743684 /nfs/dbraw/zinc/74/36/84/324743684.db2.gz RBUONDYLVUUWHE-UHFFFAOYSA-N -1 1 366.439 2.120 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c(C)cc(C)cc2C)o1 ZINC000057329657 324826984 /nfs/dbraw/zinc/82/69/84/324826984.db2.gz OSCOWDNHGIXLJV-UHFFFAOYSA-N -1 1 350.440 2.085 20 0 FEADMM NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000078355999 325044169 /nfs/dbraw/zinc/04/41/69/325044169.db2.gz TVXSCFXFLRJEPQ-UHFFFAOYSA-N -1 1 356.403 2.123 20 0 FEADMM Cc1cccn2cc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)nc12 ZINC000080647275 325139221 /nfs/dbraw/zinc/13/92/21/325139221.db2.gz YFWMCZXBCUVINO-UHFFFAOYSA-N -1 1 353.426 2.262 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081449327 325176804 /nfs/dbraw/zinc/17/68/04/325176804.db2.gz NUFCBDHYZWHVRT-LLVKDONJSA-N -1 1 351.447 2.178 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ncco3)ccc2C)o1 ZINC000089619261 325324346 /nfs/dbraw/zinc/32/43/46/325324346.db2.gz IPDCOWCCVCFIMA-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1nn[n-]n1 ZINC000090061032 325352737 /nfs/dbraw/zinc/35/27/37/325352737.db2.gz JFQPKFGLEFTACS-CYBMUJFWSA-N -1 1 362.821 2.251 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1 ZINC000091014201 325369695 /nfs/dbraw/zinc/36/96/95/325369695.db2.gz VODMZODWRBGWMO-UHFFFAOYSA-N -1 1 359.411 2.250 20 0 FEADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000092255218 325407797 /nfs/dbraw/zinc/40/77/97/325407797.db2.gz VXASZYAMKWRZRP-LLVKDONJSA-N -1 1 351.204 2.261 20 0 FEADMM O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000094120433 325453220 /nfs/dbraw/zinc/45/32/20/325453220.db2.gz PKERYXOEPBNCCG-INIZCTEOSA-N -1 1 354.341 2.364 20 0 FEADMM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ncn(C)c2Cl)N2CCCC2)o1 ZINC000101580269 325473495 /nfs/dbraw/zinc/47/34/95/325473495.db2.gz LYHSXBVPJTYTTG-LBPRGKRZSA-N -1 1 372.878 2.090 20 0 FEADMM CCOc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1F ZINC000106290260 325593402 /nfs/dbraw/zinc/59/34/02/325593402.db2.gz CWVCIXZWWQQQRW-UHFFFAOYSA-N -1 1 372.400 2.036 20 0 FEADMM O=C(NCc1nc(-c2ccncc2)cs1)c1nc2ccccc2c(=O)[n-]1 ZINC000109846241 325678881 /nfs/dbraw/zinc/67/88/81/325678881.db2.gz RHMXWVWVRWYCKV-UHFFFAOYSA-N -1 1 363.402 2.372 20 0 FEADMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000112613585 325794556 /nfs/dbraw/zinc/79/45/56/325794556.db2.gz LUAIFVOBQMPSMT-VIFPVBQESA-N -1 1 364.261 2.050 20 0 FEADMM CCCN(C)c1ccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000114155799 325875172 /nfs/dbraw/zinc/87/51/72/325875172.db2.gz VWICMOMQELWYBV-UHFFFAOYSA-N -1 1 367.453 2.416 20 0 FEADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)nc2)CC1 ZINC000116601379 326026850 /nfs/dbraw/zinc/02/68/50/326026850.db2.gz IVMAQGZLHXVNAY-UHFFFAOYSA-N -1 1 372.903 2.349 20 0 FEADMM CCN(CC)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000120037403 326224010 /nfs/dbraw/zinc/22/40/10/326224010.db2.gz MXHGEJCOKKQDIQ-UHFFFAOYSA-N -1 1 368.484 2.224 20 0 FEADMM CN(CC(=O)[N-]OCc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000120620384 326273688 /nfs/dbraw/zinc/27/36/88/326273688.db2.gz ADJHHMXJFXUOIU-UHFFFAOYSA-N -1 1 369.465 2.203 20 0 FEADMM CNS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000121638119 326353922 /nfs/dbraw/zinc/35/39/22/326353922.db2.gz DGYCVKQOXHEZBJ-UHFFFAOYSA-N -1 1 370.430 2.384 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3c2cccc3Cl)co1 ZINC000122514282 326399925 /nfs/dbraw/zinc/39/99/25/326399925.db2.gz ZRLPRTHSMQXKOP-CYBMUJFWSA-N -1 1 354.815 2.258 20 0 FEADMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000122582767 326402215 /nfs/dbraw/zinc/40/22/15/326402215.db2.gz YRHNGSCHNZLIBT-NSHDSACASA-N -1 1 372.231 2.413 20 0 FEADMM CC[C@H](OC1CCCCC1)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123191432 326423104 /nfs/dbraw/zinc/42/31/04/326423104.db2.gz CHLALQUFGQBFGS-INIZCTEOSA-N -1 1 360.458 2.384 20 0 FEADMM CC[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N(C)C ZINC000123802124 326442592 /nfs/dbraw/zinc/44/25/92/326442592.db2.gz DAUXOQAJEKIUHS-CYBMUJFWSA-N -1 1 368.484 2.223 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccccc2O)CC1 ZINC000124047298 326446879 /nfs/dbraw/zinc/44/68/79/326446879.db2.gz STWQPZSCINIDBT-UHFFFAOYSA-N -1 1 370.453 2.044 20 0 FEADMM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000126474554 326489672 /nfs/dbraw/zinc/48/96/72/326489672.db2.gz LYCCTBGTTFCCJL-UHFFFAOYSA-N -1 1 352.188 2.326 20 0 FEADMM Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130480564 326557554 /nfs/dbraw/zinc/55/75/54/326557554.db2.gz TXTMDJNMZAHSDP-UHFFFAOYSA-N -1 1 360.435 2.323 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1C[C@H]1c1ccco1 ZINC000130508251 326558198 /nfs/dbraw/zinc/55/81/98/326558198.db2.gz GGXOLTVUQXJBPY-OLZOCXBDSA-N -1 1 362.407 2.168 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000132669852 326596285 /nfs/dbraw/zinc/59/62/85/326596285.db2.gz JGPDXXGGINXNKX-JTQLQIEISA-N -1 1 365.883 2.027 20 0 FEADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000133007361 326601557 /nfs/dbraw/zinc/60/15/57/326601557.db2.gz DBEQBNPJWRGHNQ-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)c2ccccc2N(C)C)c(=O)[n-]1 ZINC000153120583 326724481 /nfs/dbraw/zinc/72/44/81/326724481.db2.gz BGYLCQABXLKWDB-UHFFFAOYSA-N -1 1 360.483 2.462 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)OCc1ccccc1 ZINC000156181310 326820769 /nfs/dbraw/zinc/82/07/69/326820769.db2.gz NXTDVVGXANXHTD-UHFFFAOYSA-N -1 1 364.405 2.273 20 0 FEADMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000161950906 327013128 /nfs/dbraw/zinc/01/31/28/327013128.db2.gz WUVRYNMDCAMRNB-UHFFFAOYSA-N -1 1 357.428 2.214 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000162533224 327027770 /nfs/dbraw/zinc/02/77/70/327027770.db2.gz QORDVTYYCLFGAV-CQSZACIVSA-N -1 1 359.426 2.409 20 0 FEADMM CCOc1ccccc1N1C[C@@H](C(=O)[N-]OCCC(F)(F)F)CC1=O ZINC000162670534 327031704 /nfs/dbraw/zinc/03/17/04/327031704.db2.gz WUKSCDUARQZWPD-NSHDSACASA-N -1 1 360.332 2.438 20 0 FEADMM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1ccc([O-])cc1F)C2 ZINC000162713950 327032795 /nfs/dbraw/zinc/03/27/95/327032795.db2.gz BTSXSHHPLHMMGY-UHFFFAOYSA-N -1 1 364.398 2.101 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000164648348 327073022 /nfs/dbraw/zinc/07/30/22/327073022.db2.gz XMDWZLLGIZOUJG-LBPRGKRZSA-N -1 1 359.253 2.449 20 0 FEADMM Cc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000166787511 327083171 /nfs/dbraw/zinc/08/31/71/327083171.db2.gz CZAHFNAQHGONHV-KRWDZBQOSA-N -1 1 365.437 2.249 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)o1 ZINC000172874306 327224107 /nfs/dbraw/zinc/22/41/07/327224107.db2.gz BZLWAONBHFGJGT-SNVBAGLBSA-N -1 1 372.830 2.038 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C12CCCCC2 ZINC000173064791 327233289 /nfs/dbraw/zinc/23/32/89/327233289.db2.gz XAMOFZLVHJJFQG-KBPBESRZSA-N -1 1 370.471 2.045 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)ccc1F ZINC000174264279 327316047 /nfs/dbraw/zinc/31/60/47/327316047.db2.gz NLSGOSZLWJAXKI-QHCPKHFHSA-N -1 1 370.427 2.322 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C(C)C)C1 ZINC000174268944 327316395 /nfs/dbraw/zinc/31/63/95/327316395.db2.gz OPNHRTWFCZMLLV-INIZCTEOSA-N -1 1 372.494 2.283 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000174372429 327322898 /nfs/dbraw/zinc/32/28/98/327322898.db2.gz XOUYBFQSSHPEDB-WMLDXEAASA-N -1 1 352.438 2.474 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)ccc1C ZINC000174740814 327347589 /nfs/dbraw/zinc/34/75/89/327347589.db2.gz DEXVFPBEXYTUCI-QHCPKHFHSA-N -1 1 366.464 2.492 20 0 FEADMM O=C(Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1)N1CCOCC1 ZINC000175196268 327379165 /nfs/dbraw/zinc/37/91/65/327379165.db2.gz CQBBDIPEVKRVJS-UHFFFAOYSA-N -1 1 358.369 2.185 20 0 FEADMM CO[C@]1(C)C[C@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000175213418 327380240 /nfs/dbraw/zinc/38/02/40/327380240.db2.gz CFPSFFQJFDEJES-SCLBCKFNSA-N -1 1 367.515 2.395 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1C ZINC000178143221 327568043 /nfs/dbraw/zinc/56/80/43/327568043.db2.gz GINOMNPFPXCVMQ-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNc3cnc(C(=O)[O-])cn3)cc2)C[C@@H](C)O1 ZINC000263449326 328940476 /nfs/dbraw/zinc/94/04/76/328940476.db2.gz ZWIXZQQSJISHJS-ZIAGYGMSSA-N -1 1 356.426 2.396 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000263472192 328942171 /nfs/dbraw/zinc/94/21/71/328942171.db2.gz LQUAKBIBYVEBEC-UHFFFAOYSA-N -1 1 362.451 2.361 20 0 FEADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000264663268 329045905 /nfs/dbraw/zinc/04/59/05/329045905.db2.gz RPNGPJDXDISITJ-HSZRJFAPSA-N -1 1 367.448 2.386 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)c1 ZINC000265030271 329084248 /nfs/dbraw/zinc/08/42/48/329084248.db2.gz DJZUDNALCDSMOU-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM COc1ccccc1C(C)(C)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000265216954 329103307 /nfs/dbraw/zinc/10/33/07/329103307.db2.gz MSLGHHIENCQJAZ-UHFFFAOYSA-N -1 1 368.437 2.242 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cc1C ZINC000265550641 329137991 /nfs/dbraw/zinc/13/79/91/329137991.db2.gz GTULOKUDRHNCIK-UHFFFAOYSA-N -1 1 363.439 2.210 20 0 FEADMM CO[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000266136541 329193921 /nfs/dbraw/zinc/19/39/21/329193921.db2.gz LFGKGLJMGQFSFW-HZPDHXFCSA-N -1 1 356.426 2.169 20 0 FEADMM CCC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCOCC1 ZINC000266703754 329251090 /nfs/dbraw/zinc/25/10/90/329251090.db2.gz OVPDQMFUNCRTOT-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000266804452 329261286 /nfs/dbraw/zinc/26/12/86/329261286.db2.gz SVBWYCGVGPMEHA-HSZRJFAPSA-N -1 1 371.436 2.274 20 0 FEADMM COC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccco1 ZINC000266902117 329270922 /nfs/dbraw/zinc/27/09/22/329270922.db2.gz IQUGGHSZTPIIAV-OAHLLOKOSA-N -1 1 368.393 2.192 20 0 FEADMM COc1ccc(NC(=O)N(C)Cc2cccnc2)cc1[N-]S(C)(=O)=O ZINC000267176485 329299715 /nfs/dbraw/zinc/29/97/15/329299715.db2.gz PLXSIIYBJCHXKB-UHFFFAOYSA-N -1 1 364.427 2.126 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000267300315 329312006 /nfs/dbraw/zinc/31/20/06/329312006.db2.gz LCDLTPCJDIEVJO-JXFKEZNVSA-N -1 1 370.453 2.153 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1nn[n-]n1 ZINC000267685578 329349686 /nfs/dbraw/zinc/34/96/86/329349686.db2.gz NEYJURMMSUWWHN-CQSZACIVSA-N -1 1 374.445 2.496 20 0 FEADMM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000268133291 329388895 /nfs/dbraw/zinc/38/88/95/329388895.db2.gz IXCBSBOZTOJDQU-GXFFZTMASA-N -1 1 361.471 2.021 20 0 FEADMM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)s1 ZINC000269711464 329542528 /nfs/dbraw/zinc/54/25/28/329542528.db2.gz NNXZUFNIKDBUKR-ZCFIWIBFSA-N -1 1 368.196 2.021 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnccc2OC(C)(C)C)o1 ZINC000269878856 329556826 /nfs/dbraw/zinc/55/68/26/329556826.db2.gz HUWSYIWAERWMRS-UHFFFAOYSA-N -1 1 353.400 2.012 20 0 FEADMM O=c1cc(CN2CCN(c3ncccc3F)CC2)c2ccc([O-])cc2o1 ZINC000270483456 329604460 /nfs/dbraw/zinc/60/44/60/329604460.db2.gz AGCSPQLOENTNPP-UHFFFAOYSA-N -1 1 355.369 2.355 20 0 FEADMM CCCCCC(=O)NC1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000271441276 329694134 /nfs/dbraw/zinc/69/41/34/329694134.db2.gz CQNWXDAVWYBADF-UHFFFAOYSA-N -1 1 361.486 2.395 20 0 FEADMM CCCCN(CCCO)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000271723809 329719408 /nfs/dbraw/zinc/71/94/08/329719408.db2.gz LLTOCVYLCUEUEE-UHFFFAOYSA-N -1 1 372.469 2.496 20 0 FEADMM CC(C)(C)[C@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OCc1ccccc1 ZINC000272041420 329747289 /nfs/dbraw/zinc/74/72/89/329747289.db2.gz LGESDUCZBFJXSA-OAHLLOKOSA-N -1 1 366.439 2.252 20 0 FEADMM CN(CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)CC(F)(F)F ZINC000272080195 329750279 /nfs/dbraw/zinc/75/02/79/329750279.db2.gz ATOZJDZKSHGYCG-UHFFFAOYSA-N -1 1 366.192 2.161 20 0 FEADMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)o1 ZINC000272244612 329763190 /nfs/dbraw/zinc/76/31/90/329763190.db2.gz RQFMHBPIARHCNM-VIFPVBQESA-N -1 1 351.211 2.302 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC[C@@H]2CCO[C@@H](C)C2)c(=O)[n-]1 ZINC000273622413 329879614 /nfs/dbraw/zinc/87/96/14/329879614.db2.gz VXEAAJZBIFTZKQ-WCQYABFASA-N -1 1 353.488 2.467 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000273981666 329906845 /nfs/dbraw/zinc/90/68/45/329906845.db2.gz UUZDRCVJRPWGEV-VHSXEESVSA-N -1 1 361.847 2.092 20 0 FEADMM CCOc1cc(C(=O)NC2(c3ncon3)CCOCC2)cc(Cl)c1[O-] ZINC000274109269 329916365 /nfs/dbraw/zinc/91/63/65/329916365.db2.gz QLDMYYULDXVRNV-UHFFFAOYSA-N -1 1 367.789 2.263 20 0 FEADMM CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275051075 330005661 /nfs/dbraw/zinc/00/56/61/330005661.db2.gz WZQTZCXSZMLSEH-YOEHRIQHSA-N -1 1 368.499 2.418 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CC(C)(C)O)C1CC1 ZINC000275161793 330017098 /nfs/dbraw/zinc/01/70/98/330017098.db2.gz YQYBOLRJJMIUAO-UHFFFAOYSA-N -1 1 370.453 2.247 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(CCO)C1CCC1 ZINC000275834306 330094588 /nfs/dbraw/zinc/09/45/88/330094588.db2.gz CUKJUHGPBFEHIX-UHFFFAOYSA-N -1 1 374.462 2.474 20 0 FEADMM CC[C@@]1(CO)CCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000275906738 330102464 /nfs/dbraw/zinc/10/24/64/330102464.db2.gz QRQVAPUQECQWJW-FQEVSTJZSA-N -1 1 370.453 2.249 20 0 FEADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000276288208 330137275 /nfs/dbraw/zinc/13/72/75/330137275.db2.gz JNLPADZTZPYMTF-MRVPVSSYSA-N -1 1 371.422 2.349 20 0 FEADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)O1 ZINC000367094685 330216344 /nfs/dbraw/zinc/21/63/44/330216344.db2.gz ZVNVIBDWOZWLKE-NRCRGUPPSA-N -1 1 353.785 2.011 20 0 FEADMM C[C@H]1CCN(C(=O)NC[C@H]2CCCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805182719 674324446 /nfs/dbraw/zinc/32/44/46/674324446.db2.gz QPAMSEPZUZVTSI-RVMXOQNASA-N -1 1 365.396 2.043 20 0 FEADMM O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(Br)c([O-])c1 ZINC000554813690 674337500 /nfs/dbraw/zinc/33/75/00/674337500.db2.gz USIRZRFZNJAVOD-NEPJUHHUSA-N -1 1 353.216 2.038 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Cl)cc12 ZINC000554894071 674340190 /nfs/dbraw/zinc/34/01/90/674340190.db2.gz RABXMAWZLLXRDX-UHFFFAOYSA-N -1 1 354.819 2.221 20 0 FEADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1c(C)onc1N ZINC000554900712 674340639 /nfs/dbraw/zinc/34/06/39/674340639.db2.gz UEZINDWENIOAGD-PRHODGIISA-N -1 1 359.835 2.273 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000155352721 545515791 /nfs/dbraw/zinc/51/57/91/545515791.db2.gz ACVJVFIRKNNMQU-SFYZADRCSA-N -1 1 356.810 2.424 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1Br ZINC000155526997 545538538 /nfs/dbraw/zinc/53/85/38/545538538.db2.gz YHUUTXIRQAYMIR-NSHDSACASA-N -1 1 350.220 2.290 20 0 FEADMM C[C@H](SCC(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1nc2ccccc2[nH]1 ZINC000155533011 545539485 /nfs/dbraw/zinc/53/94/85/545539485.db2.gz HCLKWGIMLZJNAQ-RYUDHWBXSA-N -1 1 371.470 2.276 20 0 FEADMM CCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nnc2ccccn21 ZINC000155581062 545545293 /nfs/dbraw/zinc/54/52/93/545545293.db2.gz JXNLEPUYBAVKFC-CQSZACIVSA-N -1 1 362.393 2.237 20 0 FEADMM Cn1cnnc1COCC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000490538665 538856221 /nfs/dbraw/zinc/85/62/21/538856221.db2.gz FANKHTIRUFOSEX-UHFFFAOYSA-N -1 1 352.807 2.075 20 0 FEADMM CC[C@@H]1C[N@@H+](CCNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCO1 ZINC000486024819 538863831 /nfs/dbraw/zinc/86/38/31/538863831.db2.gz ANXZYZYYSUJMJL-MRXNPFEDSA-N -1 1 357.458 2.384 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000477433576 561144792 /nfs/dbraw/zinc/14/47/92/561144792.db2.gz ODAOPLKHJUKMNK-UHFFFAOYSA-N -1 1 357.410 2.392 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2sc(C)nc2CC(C)C)co1 ZINC000157071160 545695950 /nfs/dbraw/zinc/69/59/50/545695950.db2.gz RFODCZXRKZYIED-UHFFFAOYSA-N -1 1 357.457 2.403 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1nn[n-]n1 ZINC000478592509 561170520 /nfs/dbraw/zinc/17/05/20/561170520.db2.gz NEWIBWGIIJYIBW-CYBMUJFWSA-N -1 1 372.473 2.194 20 0 FEADMM CN1CCN(Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000170551879 546162638 /nfs/dbraw/zinc/16/26/38/546162638.db2.gz IJVUBBXMFLKQSH-UHFFFAOYSA-N -1 1 351.497 2.296 20 0 FEADMM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)C(F)(F)F ZINC000479151315 561182894 /nfs/dbraw/zinc/18/28/94/561182894.db2.gz CGGLYHXNEIOHRV-SECBINFHSA-N -1 1 366.283 2.346 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(COC)cc2)o1 ZINC000479178512 561183573 /nfs/dbraw/zinc/18/35/73/561183573.db2.gz ADMJYZUQASYREQ-UHFFFAOYSA-N -1 1 353.396 2.081 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)c(F)c2)o1 ZINC000479185473 561183747 /nfs/dbraw/zinc/18/37/47/561183747.db2.gz REPFQRFCKLLBFQ-UHFFFAOYSA-N -1 1 357.359 2.083 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(F)c2)o1 ZINC000479232486 561185376 /nfs/dbraw/zinc/18/53/76/561185376.db2.gz SHLIAUKKGNGACE-NSHDSACASA-N -1 1 371.386 2.341 20 0 FEADMM Cc1ccc(-c2n[nH]c(NC(=O)CCNC(=O)c3ccc(F)cc3)n2)o1 ZINC000479466751 561190155 /nfs/dbraw/zinc/19/01/55/561190155.db2.gz SVTAWKQBIHLIAT-UHFFFAOYSA-N -1 1 357.345 2.271 20 0 FEADMM C[C@@]1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000177362920 546601741 /nfs/dbraw/zinc/60/17/41/546601741.db2.gz DKPMEKNQJNQGGP-GOSISDBHSA-N -1 1 360.435 2.084 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)o1 ZINC000480894377 561219578 /nfs/dbraw/zinc/21/95/78/561219578.db2.gz FQCJIWLGZKDCJR-MRXNPFEDSA-N -1 1 359.444 2.066 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(NC(=O)N(C)C)cc2)sc1C ZINC000481509145 561234583 /nfs/dbraw/zinc/23/45/83/561234583.db2.gz JTPJFQGYOXGBIQ-UHFFFAOYSA-N -1 1 368.484 2.332 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)co1 ZINC000178867334 546863905 /nfs/dbraw/zinc/86/39/05/546863905.db2.gz JCMWFIYQJIIKBP-KRWDZBQOSA-N -1 1 371.418 2.102 20 0 FEADMM CC(C)(C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000179539540 546972905 /nfs/dbraw/zinc/97/29/05/546972905.db2.gz NMEREJNKYHGAAO-UHFFFAOYSA-N -1 1 352.387 2.095 20 0 FEADMM Cc1ccc(O)c(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000179609429 546985688 /nfs/dbraw/zinc/98/56/88/546985688.db2.gz RSWRBTCUPGGTOI-UHFFFAOYSA-N -1 1 350.378 2.336 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)N1CCOCC1 ZINC000180700409 547162046 /nfs/dbraw/zinc/16/20/46/547162046.db2.gz CGUXRFITHNODTP-CQSZACIVSA-N -1 1 374.359 2.024 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2sccc2-n2cccc2)c1 ZINC000181027917 547233188 /nfs/dbraw/zinc/23/31/88/547233188.db2.gz AFKBQHHWYJFCRB-UHFFFAOYSA-N -1 1 363.420 2.144 20 0 FEADMM Cc1ccc(-c2noc(CN3CCN(CCCCC(=O)[O-])CC3)n2)cc1 ZINC000181581809 547339815 /nfs/dbraw/zinc/33/98/15/547339815.db2.gz ZIACUBPAJXPLRU-UHFFFAOYSA-N -1 1 358.442 2.418 20 0 FEADMM COc1ccc([C@@H]2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)cc1 ZINC000181893349 547399347 /nfs/dbraw/zinc/39/93/47/547399347.db2.gz HIEJLZQAXUDEAA-CYBMUJFWSA-N -1 1 352.394 2.312 20 0 FEADMM O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc([O-])cc1F ZINC000181952727 547412905 /nfs/dbraw/zinc/41/29/05/547412905.db2.gz PBQOELZHEUBWCH-INIZCTEOSA-N -1 1 354.341 2.364 20 0 FEADMM CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182028961 547425354 /nfs/dbraw/zinc/42/53/54/547425354.db2.gz LUQSIJDAHMSEFW-NSHDSACASA-N -1 1 362.373 2.404 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1ccco1 ZINC000182722304 547541363 /nfs/dbraw/zinc/54/13/63/547541363.db2.gz DUDFJXKYFHDZMM-AWEZNQCLSA-N -1 1 355.460 2.415 20 0 FEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183409762 547653019 /nfs/dbraw/zinc/65/30/19/547653019.db2.gz LXFTTZAWORUBBZ-SNVBAGLBSA-N -1 1 357.393 2.017 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cs1 ZINC000484558808 561299977 /nfs/dbraw/zinc/29/99/77/561299977.db2.gz OUWMQGCRWKZRGG-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000484961321 561309407 /nfs/dbraw/zinc/30/94/07/561309407.db2.gz BJNRMGOVYHSCPT-ZDUSSCGKSA-N -1 1 357.428 2.483 20 0 FEADMM CCCN(CCS(=O)(=O)c1cccc(Br)c1)CC(=O)[O-] ZINC000184903619 547897311 /nfs/dbraw/zinc/89/73/11/547897311.db2.gz SODAQDUTWZXSIW-UHFFFAOYSA-N -1 1 364.261 2.019 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc(C(=O)[O-])c1F ZINC000184915201 547899235 /nfs/dbraw/zinc/89/92/35/547899235.db2.gz VVZKTLRAWPUOSU-AAEUAGOBSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)cc(C(=O)[O-])c1Cl ZINC000184995622 547914598 /nfs/dbraw/zinc/91/45/98/547914598.db2.gz NIUDJCSRQZJNGC-SNVBAGLBSA-N -1 1 360.863 2.108 20 0 FEADMM C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185029756 547920416 /nfs/dbraw/zinc/92/04/16/547920416.db2.gz MWNZSPGGMATKIZ-YFKPBYRVSA-N -1 1 363.060 2.415 20 0 FEADMM COc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1c(F)cccc1F)n2C ZINC000185291589 547965279 /nfs/dbraw/zinc/96/52/79/547965279.db2.gz GRBZNMOTNQBUGQ-UHFFFAOYSA-N -1 1 367.377 2.339 20 0 FEADMM Cn1cncc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000485610989 561323914 /nfs/dbraw/zinc/32/39/14/561323914.db2.gz CWCYTVSCEMMPHM-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM Cc1cc(C(=O)Nc2nccc3sccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000186073104 548081402 /nfs/dbraw/zinc/08/14/02/548081402.db2.gz PSWGXMBDIHXSIW-UHFFFAOYSA-N -1 1 353.363 2.194 20 0 FEADMM Cc1cc(C(=O)Nc2nccc3sccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000186073104 548081406 /nfs/dbraw/zinc/08/14/06/548081406.db2.gz PSWGXMBDIHXSIW-UHFFFAOYSA-N -1 1 353.363 2.194 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC[C@H]1O ZINC000186720488 548181023 /nfs/dbraw/zinc/18/10/23/548181023.db2.gz ZUTIIYZMAKSFQR-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM CCOc1cc(C(=O)NCCN2CCOC(C)(C)C2)cc(Cl)c1[O-] ZINC000186749712 548184903 /nfs/dbraw/zinc/18/49/03/548184903.db2.gz PVCFIDDDUZYHIV-UHFFFAOYSA-N -1 1 356.850 2.285 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc(Cl)c1[O-] ZINC000186784933 548192638 /nfs/dbraw/zinc/19/26/38/548192638.db2.gz GDIQTDQZOLHANG-NWDGAFQWSA-N -1 1 356.850 2.283 20 0 FEADMM COc1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c(Br)c1O ZINC000486194749 561340632 /nfs/dbraw/zinc/34/06/32/561340632.db2.gz KIONLSAWICABDH-DUXPYHPUSA-N -1 1 363.171 2.065 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000486487122 561348582 /nfs/dbraw/zinc/34/85/82/561348582.db2.gz BFAONCRHTNQVGZ-UHFFFAOYSA-N -1 1 365.411 2.256 20 0 FEADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000486527617 561349989 /nfs/dbraw/zinc/34/99/89/561349989.db2.gz KODRHEORGAQWLS-UHFFFAOYSA-N -1 1 364.423 2.173 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cnn1-c1ccccn1 ZINC000486560356 561350778 /nfs/dbraw/zinc/35/07/78/561350778.db2.gz MXCWVHNNKAFJIO-UHFFFAOYSA-N -1 1 372.385 2.392 20 0 FEADMM Cc1nnc2n1C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)CC2 ZINC000486799543 561356972 /nfs/dbraw/zinc/35/69/72/561356972.db2.gz WFSQCZTYNQQGIU-JTQLQIEISA-N -1 1 365.231 2.047 20 0 FEADMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000486850269 561358164 /nfs/dbraw/zinc/35/81/64/561358164.db2.gz FCICNUJMLQOALR-CQSZACIVSA-N -1 1 361.829 2.308 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)sc1C ZINC000486864956 561358495 /nfs/dbraw/zinc/35/84/95/561358495.db2.gz GZQINTCEIZWJDG-UHFFFAOYSA-N -1 1 368.415 2.428 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)N1CCN(Cc2ccco2)CC1 ZINC000195082028 548574806 /nfs/dbraw/zinc/57/48/06/548574806.db2.gz MSRCGILENVREHJ-UHFFFAOYSA-N -1 1 374.466 2.089 20 0 FEADMM CC(C)N(C(=O)CS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1)C(C)C ZINC000195127055 548580942 /nfs/dbraw/zinc/58/09/42/548580942.db2.gz BEKHOEDOCQQMEQ-UHFFFAOYSA-N -1 1 368.434 2.030 20 0 FEADMM CC(C)N(C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1)C(C)C ZINC000195127055 548580948 /nfs/dbraw/zinc/58/09/48/548580948.db2.gz BEKHOEDOCQQMEQ-UHFFFAOYSA-N -1 1 368.434 2.030 20 0 FEADMM C[C@H](c1nc(C2CC2)no1)S(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195163066 548587297 /nfs/dbraw/zinc/58/72/97/548587297.db2.gz PVWINGJFLFRQKM-MRVPVSSYSA-N -1 1 365.440 2.252 20 0 FEADMM C[C@H](c1nc(C2CC2)no1)S(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195163066 548587303 /nfs/dbraw/zinc/58/73/03/548587303.db2.gz PVWINGJFLFRQKM-MRVPVSSYSA-N -1 1 365.440 2.252 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(CN(C)C)on1 ZINC000487013746 561361502 /nfs/dbraw/zinc/36/15/02/561361502.db2.gz SFOJGRZAUOUOEG-UHFFFAOYSA-N -1 1 364.427 2.039 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000198450588 548661022 /nfs/dbraw/zinc/66/10/22/548661022.db2.gz HBEZJISPMDJZKQ-UHFFFAOYSA-N -1 1 363.462 2.381 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1NC(N)=O ZINC000487359590 561368310 /nfs/dbraw/zinc/36/83/10/561368310.db2.gz DGFOGDCQHYPTEQ-UHFFFAOYSA-N -1 1 357.338 2.265 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1NC(N)=O ZINC000487378163 561368656 /nfs/dbraw/zinc/36/86/56/561368656.db2.gz KBQHIAJNYXLMOV-UHFFFAOYSA-N -1 1 369.374 2.134 20 0 FEADMM COC[C@H](NC(=O)c1ccc(I)c([O-])c1)C(C)C ZINC000230897093 548761867 /nfs/dbraw/zinc/76/18/67/548761867.db2.gz PHTKIYHWWLEMRO-NSHDSACASA-N -1 1 363.195 2.398 20 0 FEADMM CN(C(=O)c1cc(I)ccc1[O-])C1CCOCC1 ZINC000234244533 548764511 /nfs/dbraw/zinc/76/45/11/548764511.db2.gz RLGSITPGLCUUCV-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000237994887 548870592 /nfs/dbraw/zinc/87/05/92/548870592.db2.gz BTDQYNFJSZRQJU-NSHDSACASA-N -1 1 360.351 2.478 20 0 FEADMM COc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(O)c1 ZINC000245745914 548987561 /nfs/dbraw/zinc/98/75/61/548987561.db2.gz GRXAVQIVUKHZRD-LPHOPBHVSA-N -1 1 370.449 2.014 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1C ZINC000488263127 561387171 /nfs/dbraw/zinc/38/71/71/561387171.db2.gz MSCSOZXSEBEXPH-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000246379954 549119191 /nfs/dbraw/zinc/11/91/91/549119191.db2.gz HIZIWAAIMWDMLH-DYVFJYSZSA-N -1 1 374.462 2.475 20 0 FEADMM O=C([O-])[C@@H]1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000246522322 549152136 /nfs/dbraw/zinc/15/21/36/549152136.db2.gz RIGKVRZCIIUUMO-ZWNOBZJWSA-N -1 1 358.316 2.097 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000248903990 549525118 /nfs/dbraw/zinc/52/51/18/549525118.db2.gz XVBWVGZBRBLBCI-OCCSQVGLSA-N -1 1 354.472 2.092 20 0 FEADMM C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(N)=O ZINC000490074290 561425853 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ZINC000288635233 552189225 /nfs/dbraw/zinc/18/92/25/552189225.db2.gz WNJZMJODPGXVCL-MRXNPFEDSA-N -1 1 355.390 2.256 20 0 FEADMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000288665966 552194750 /nfs/dbraw/zinc/19/47/50/552194750.db2.gz VSBIVWMIIRZRID-UHFFFAOYSA-N -1 1 369.468 2.272 20 0 FEADMM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1c(F)ccc([O-])c1F ZINC000289115658 552268661 /nfs/dbraw/zinc/26/86/61/552268661.db2.gz NERIILAUWYNNCO-CQSZACIVSA-N -1 1 362.376 2.301 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc3c2COC3=O)c(=O)[n-]1 ZINC000289141558 552272268 /nfs/dbraw/zinc/27/22/68/552272268.db2.gz GXMQBUVATPNJPB-UHFFFAOYSA-N -1 1 359.407 2.454 20 0 FEADMM O=C(c1cccc(CN2CCCC[C@H]2c2nc(=O)[n-][nH]2)c1)N1CCCCC1 ZINC000289395203 552313969 /nfs/dbraw/zinc/31/39/69/552313969.db2.gz RLZZXVLDUSPOFT-KRWDZBQOSA-N -1 1 369.469 2.451 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1)C(F)(F)F ZINC000289423713 552318987 /nfs/dbraw/zinc/31/89/87/552318987.db2.gz IFTANRALPHGAEX-JTQLQIEISA-N -1 1 358.320 2.220 20 0 FEADMM CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289502919 552331911 /nfs/dbraw/zinc/33/19/11/552331911.db2.gz QDVKLRDJNWYTKR-ZFWWWQNUSA-N -1 1 371.403 2.206 20 0 FEADMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C1CC1 ZINC000289506656 552332430 /nfs/dbraw/zinc/33/24/30/552332430.db2.gz LJASMPCPKPGORL-NSHDSACASA-N -1 1 353.271 2.464 20 0 FEADMM O=C([N-]C[C@H]1CCCN(Cc2cnn(-c3ccccc3)n2)C1)C(F)(F)F ZINC000289629964 552352597 /nfs/dbraw/zinc/35/25/97/552352597.db2.gz ZQLGDCVLAXJWFK-CYBMUJFWSA-N -1 1 367.375 2.158 20 0 FEADMM Cn1ccc(N2CCC[C@H](Sc3nc(C(F)F)cc(=O)[n-]3)C2=O)n1 ZINC000289632842 552353103 /nfs/dbraw/zinc/35/31/03/552353103.db2.gz WAASNBUKDVNASK-VIFPVBQESA-N -1 1 355.370 2.141 20 0 FEADMM Cc1cc(N2CCC[C@H](NC(=O)c3c(F)ccc([O-])c3F)C2)n(C)n1 ZINC000290161346 552436523 /nfs/dbraw/zinc/43/65/23/552436523.db2.gz LXGCFFMQBFZJMY-NSHDSACASA-N -1 1 350.369 2.111 20 0 FEADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C 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NNVKZUWYCCBZJL-LLVKDONJSA-N -1 1 374.359 2.240 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000291349988 552617603 /nfs/dbraw/zinc/61/76/03/552617603.db2.gz WEYAAEFDEWUPMG-QMMMGPOBSA-N -1 1 350.159 2.244 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@]1(C)OCCc2sccc21 ZINC000291864583 552669702 /nfs/dbraw/zinc/66/97/02/552669702.db2.gz GWWNBLJIWWFMAJ-INIZCTEOSA-N -1 1 365.480 2.492 20 0 FEADMM Cn1cc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C2CC2)n1 ZINC000292114815 552695153 /nfs/dbraw/zinc/69/51/53/552695153.db2.gz TYURSIYNWJIGHE-SNVBAGLBSA-N -1 1 373.379 2.220 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1COc2ccccc21 ZINC000292508932 552733630 /nfs/dbraw/zinc/73/36/30/552733630.db2.gz IBVGBZLDSKJKJK-KGYLQXTDSA-N -1 1 356.344 2.221 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000292759463 552755841 /nfs/dbraw/zinc/75/58/41/552755841.db2.gz RLYIVCGYFYTTGD-AWEZNQCLSA-N -1 1 370.478 2.490 20 0 FEADMM Cc1nc(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)sc1C 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366.443 2.391 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(C)(F)F)cc2)o1 ZINC000294384075 552902036 /nfs/dbraw/zinc/90/20/36/552902036.db2.gz WULKCUQNSYREGW-UHFFFAOYSA-N -1 1 358.366 2.229 20 0 FEADMM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000295083867 552957287 /nfs/dbraw/zinc/95/72/87/552957287.db2.gz BHASEUDBKIRFHL-KRWDZBQOSA-N -1 1 362.455 2.069 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(CCC(N)=O)c2ccccc2)c(=O)[n-]1 ZINC000295161484 552964988 /nfs/dbraw/zinc/96/49/88/552964988.db2.gz KOHQMZLZGKGDIA-UHFFFAOYSA-N -1 1 374.466 2.054 20 0 FEADMM O=c1[n-]nc([C@@H]2CCCN(C[C@@H](O)c3cccc(Br)c3)C2)o1 ZINC000295354396 552992248 /nfs/dbraw/zinc/99/22/48/552992248.db2.gz OAXDJHGGDNBHRD-DGCLKSJQSA-N -1 1 368.231 2.038 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2F)c1C ZINC000295359812 552993814 /nfs/dbraw/zinc/99/38/14/552993814.db2.gz JDAODQJHHLFGTJ-UHFFFAOYSA-N -1 1 355.391 2.246 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C3CC3)ccc2F)co1 ZINC000295472620 553012587 /nfs/dbraw/zinc/01/25/87/553012587.db2.gz QUPKRKUIQVIRJD-UHFFFAOYSA-N -1 1 352.387 2.134 20 0 FEADMM C[C@H](O)[C@@](C)(CNC(=O)c1ccc2n[n-]c(=S)n2c1)Cc1ccccc1 ZINC000295798237 553060330 /nfs/dbraw/zinc/06/03/30/553060330.db2.gz VTCWPPBOIMGQSA-ORAYPTAESA-N -1 1 370.478 2.378 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc(Cl)c1[O-] ZINC000295918867 553075700 /nfs/dbraw/zinc/07/57/00/553075700.db2.gz CWHNFDSVPDBYLC-CYBMUJFWSA-N -1 1 356.850 2.021 20 0 FEADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000296054238 553097116 /nfs/dbraw/zinc/09/71/16/553097116.db2.gz UHSPBHPUXFWDSO-UHFFFAOYSA-N -1 1 366.464 2.153 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2coc3c2C(=O)CCC3)C1)C(F)(F)F ZINC000296169543 553115957 /nfs/dbraw/zinc/11/59/57/553115957.db2.gz TWXUTOSAFATTJW-JTQLQIEISA-N -1 1 372.343 2.329 20 0 FEADMM CC[C@@H](C)N1CCN(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])CC1 ZINC000296803947 553213735 /nfs/dbraw/zinc/21/37/35/553213735.db2.gz FCFQOAPYCQLHCK-CQSZACIVSA-N -1 1 358.442 2.143 20 0 FEADMM CC(=O)c1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc1 ZINC000297177137 553259786 /nfs/dbraw/zinc/25/97/86/553259786.db2.gz MHWVRPDUHWVELV-UHFFFAOYSA-N -1 1 372.347 2.207 20 0 FEADMM O=C(NC1CC1)c1[nH]nnc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000297647261 553319943 /nfs/dbraw/zinc/31/99/43/553319943.db2.gz DUXCLLNHZGWCGC-UHFFFAOYSA-N -1 1 367.331 2.444 20 0 FEADMM CNC(=O)c1[nH]nnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000297829373 553344136 /nfs/dbraw/zinc/34/41/36/553344136.db2.gz VQAMDRPQALJZIC-RKDXNWHRSA-N -1 1 354.197 2.213 20 0 FEADMM CNC(=O)c1[nH]nnc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000297829367 553344246 /nfs/dbraw/zinc/34/42/46/553344246.db2.gz VQAMDRPQALJZIC-BDAKNGLRSA-N -1 1 354.197 2.213 20 0 FEADMM CCN(C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccc(OC)c(OC)c1 ZINC000298027960 553373458 /nfs/dbraw/zinc/37/34/58/553373458.db2.gz FOVGWHDMMOMNER-STZFKDTASA-N -1 1 355.398 2.417 20 0 FEADMM CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1nn[n-]n1 ZINC000298332237 553413320 /nfs/dbraw/zinc/41/33/20/553413320.db2.gz ZTRMUEDGSCTXOO-UHFFFAOYSA-N -1 1 360.443 2.017 20 0 FEADMM O=S(=O)(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cn2c(n1)CCCC2 ZINC000503475190 561642326 /nfs/dbraw/zinc/64/23/26/561642326.db2.gz FIYZWDDYNBMEFG-QGZVFWFLSA-N -1 1 374.510 2.162 20 0 FEADMM O=c1nc([C@@H]2CCCCN2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)[nH][n-]1 ZINC000298534245 553437033 /nfs/dbraw/zinc/43/70/33/553437033.db2.gz MKPAGZJBYQKYDF-LBPRGKRZSA-N -1 1 360.805 2.127 20 0 FEADMM COc1ccc(NC(=O)NCCCOCC2CC2)cc1[N-]S(C)(=O)=O ZINC000298780547 553472003 /nfs/dbraw/zinc/47/20/03/553472003.db2.gz USKWROFUIWVNHX-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2cccc(F)c2)C(C)C)o1 ZINC000299144463 553521394 /nfs/dbraw/zinc/52/13/94/553521394.db2.gz VTMDICXNSJFEIA-UHFFFAOYSA-N -1 1 354.403 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)C(C)C)o1 ZINC000299436358 553562716 /nfs/dbraw/zinc/56/27/16/553562716.db2.gz NSAZXCHBQZKFOF-UHFFFAOYSA-N -1 1 354.403 2.378 20 0 FEADMM C[C@@H](Sc1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1)C(=O)[O-] ZINC000504679546 561661240 /nfs/dbraw/zinc/66/12/40/561661240.db2.gz AUNSMIJPVSEIDP-SNVBAGLBSA-N -1 1 367.452 2.195 20 0 FEADMM CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301396574 553648538 /nfs/dbraw/zinc/64/85/38/553648538.db2.gz GFNJNAXQXCUAOP-OAHLLOKOSA-N -1 1 355.442 2.356 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@H](COCC4CC4)C3)nc2)[n-]c(=O)c1C ZINC000302512493 553719777 /nfs/dbraw/zinc/71/97/77/553719777.db2.gz XJXVLDQKVKTVCS-KRWDZBQOSA-N -1 1 370.453 2.493 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@H]3C(=O)NC3CC3)nc2)[n-]c(=O)c1C ZINC000302665310 553724659 /nfs/dbraw/zinc/72/46/59/553724659.db2.gz MLIXVPCNENWLAN-HNNXBMFYSA-N -1 1 353.426 2.108 20 0 FEADMM COc1ccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c(F)c1 ZINC000505612079 561675360 /nfs/dbraw/zinc/67/53/60/561675360.db2.gz VERVKSMQCAPSDG-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)cs1 ZINC000320470719 553765269 /nfs/dbraw/zinc/76/52/69/553765269.db2.gz QUBOIIHVAADMAF-UHFFFAOYSA-N -1 1 370.433 2.291 20 0 FEADMM CCC(CC)[C@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])N1CCOCC1 ZINC000505754382 561679431 /nfs/dbraw/zinc/67/94/31/561679431.db2.gz HZVZZQLFGOHUCL-QGZVFWFLSA-N -1 1 364.442 2.254 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@H]2CCCCN12 ZINC000328789332 553822525 /nfs/dbraw/zinc/82/25/25/553822525.db2.gz KRKPGZJJQZLESL-HTQZYQBOSA-N -1 1 369.295 2.487 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)[C@@H]3COCCN3C3CCCC3)[nH][n-]2)s1 ZINC000329413688 553941970 /nfs/dbraw/zinc/94/19/70/553941970.db2.gz DTSYSYOYRKBIDU-HNNXBMFYSA-N -1 1 360.483 3.029 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000506639666 561704546 /nfs/dbraw/zinc/70/45/46/561704546.db2.gz LXTBYIXYSRDRNN-OAHLLOKOSA-N -1 1 365.455 2.337 20 0 FEADMM O=C(c1cccc(Br)c1[O-])N1CCN(C2CCOCC2)CC1 ZINC000530627173 562418295 /nfs/dbraw/zinc/41/82/95/562418295.db2.gz DUNZKKVKAVLOBA-UHFFFAOYSA-N -1 1 369.259 2.092 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@@H](N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000329630527 553979818 /nfs/dbraw/zinc/97/98/18/553979818.db2.gz HWMRHFDLJCMFOB-MRXNPFEDSA-N -1 1 373.432 2.333 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000329748794 553998959 /nfs/dbraw/zinc/99/89/59/553998959.db2.gz FRAZFOGVUIHYFN-RDJZCZTQSA-N -1 1 368.437 2.123 20 0 FEADMM O=S(=O)([N-]c1cc(F)c(N2CCOCC2)cc1F)c1cncc(F)c1 ZINC000507604382 561734911 /nfs/dbraw/zinc/73/49/11/561734911.db2.gz KVTLVASIOHYXBA-UHFFFAOYSA-N -1 1 373.356 2.136 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OCCCO)cc2)c(F)c1 ZINC000507633687 561735946 /nfs/dbraw/zinc/73/59/46/561735946.db2.gz CWWHYTVBKJDFJZ-UHFFFAOYSA-N -1 1 369.370 2.086 20 0 FEADMM CCc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)no1 ZINC000606889584 554102010 /nfs/dbraw/zinc/10/20/10/554102010.db2.gz JCVAJJSOJYDLNI-UHFFFAOYSA-N -1 1 353.400 2.175 20 0 FEADMM CCCN(CCC)C(=O)CCCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507887569 561744592 /nfs/dbraw/zinc/74/45/92/561744592.db2.gz KNNQOMVQHNQNLV-AWEZNQCLSA-N -1 1 366.462 2.300 20 0 FEADMM CC(C)N(C)C(=O)C1CCN(C(=O)c2csc(=NC3CC3)[n-]2)CC1 ZINC000607054680 554117527 /nfs/dbraw/zinc/11/75/27/554117527.db2.gz RVFFMBFEDAHRLZ-UHFFFAOYSA-N -1 1 350.488 2.436 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1cnn(CC(C)C)c1)c1ccccc1 ZINC000507906183 561745519 /nfs/dbraw/zinc/74/55/19/561745519.db2.gz QCJXYAOTWWEMQI-MRXNPFEDSA-N -1 1 365.455 2.238 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)c(F)c1 ZINC000508074567 561750374 /nfs/dbraw/zinc/75/03/74/561750374.db2.gz QYXYQZLNRRYGKA-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000508217901 561755655 /nfs/dbraw/zinc/75/56/55/561755655.db2.gz XIUMYWHCYVOAPH-UHFFFAOYSA-N -1 1 370.818 2.313 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000330885485 554183514 /nfs/dbraw/zinc/18/35/14/554183514.db2.gz LOYICUXWKLCUQF-UHFFFAOYSA-N -1 1 374.260 2.541 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)c1ccc(Br)cc1 ZINC000330885485 554183516 /nfs/dbraw/zinc/18/35/16/554183516.db2.gz LOYICUXWKLCUQF-UHFFFAOYSA-N -1 1 374.260 2.541 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(Cc1ccoc1)C1CCCCC1 ZINC000508395150 561761097 /nfs/dbraw/zinc/76/10/97/561761097.db2.gz QHPGHNRUCRIXKE-UHFFFAOYSA-N -1 1 357.410 2.472 20 0 FEADMM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2ncccc2[O-])o1 ZINC000508394421 561761123 /nfs/dbraw/zinc/76/11/23/561761123.db2.gz LYBVMEJVQICQEL-TZMCWYRMSA-N -1 1 357.410 2.418 20 0 FEADMM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000331016689 554201023 /nfs/dbraw/zinc/20/10/23/554201023.db2.gz ZOQUSZCWDXJPAE-STQMWFEESA-N -1 1 372.487 2.122 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)c(F)c1F ZINC000331449187 554265963 /nfs/dbraw/zinc/26/59/63/554265963.db2.gz SPSZKDPKCRARIX-JTQLQIEISA-N -1 1 365.373 2.110 20 0 FEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CN1C1CC1 ZINC000331481540 554272419 /nfs/dbraw/zinc/27/24/19/554272419.db2.gz JMZRNPDKLCJOBN-GXSJLCMTSA-N -1 1 364.389 2.315 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1 ZINC000509089613 561784390 /nfs/dbraw/zinc/78/43/90/561784390.db2.gz MVEBDYUMSVYLNM-UHFFFAOYSA-N -1 1 352.437 2.073 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N(C)CC(C)(C)C)CC2)n1 ZINC000509241493 561791905 /nfs/dbraw/zinc/79/19/05/561791905.db2.gz SDQLLPXOVRDJTH-UHFFFAOYSA-N -1 1 351.451 2.259 20 0 FEADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000509387073 561797422 /nfs/dbraw/zinc/79/74/22/561797422.db2.gz UBQZQTCJUBPVOX-UHFFFAOYSA-N -1 1 369.402 2.064 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000331914429 554345740 /nfs/dbraw/zinc/34/57/40/554345740.db2.gz NJRWUHLQHWCONQ-YPMHNXCESA-N -1 1 353.802 2.264 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc(Cl)c1[O-] ZINC000332046476 554368941 /nfs/dbraw/zinc/36/89/41/554368941.db2.gz LXCOVFUDIPIECL-XJKSGUPXSA-N -1 1 365.817 2.438 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)n1 ZINC000332091079 554378323 /nfs/dbraw/zinc/37/83/23/554378323.db2.gz LRIBNZJJYSHEBR-JGVFFNPUSA-N -1 1 357.819 2.394 20 0 FEADMM C[C@@H](N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1(C)CC1 ZINC000332134432 554387336 /nfs/dbraw/zinc/38/73/36/554387336.db2.gz KMQFZOGTUPGTKP-SNVBAGLBSA-N -1 1 364.464 2.006 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C(F)F)c1cc(Cl)ccc1C(F)(F)F ZINC000509784923 561813820 /nfs/dbraw/zinc/81/38/20/561813820.db2.gz BAMTWYOSELBMIT-SSDOTTSWSA-N -1 1 353.696 2.263 20 0 FEADMM COC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000509854095 561816192 /nfs/dbraw/zinc/81/61/92/561816192.db2.gz XRIXEEQXUXNHSM-UHFFFAOYSA-N -1 1 360.435 2.267 20 0 FEADMM Cc1cnc(C(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c([O-])c1 ZINC000332363337 554432707 /nfs/dbraw/zinc/43/27/07/554432707.db2.gz KBFDXBGZLHSQKD-UHFFFAOYSA-N -1 1 355.442 2.280 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000509979834 561820557 /nfs/dbraw/zinc/82/05/57/561820557.db2.gz SNTUUOLTMFCVIU-SNVBAGLBSA-N -1 1 367.327 2.413 20 0 FEADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CNC(=O)c1ncccc1[O-] ZINC000509991308 561821022 /nfs/dbraw/zinc/82/10/22/561821022.db2.gz RLTMIBQCTQPSOV-ZDUSSCGKSA-N -1 1 357.410 2.248 20 0 FEADMM COc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc(Cl)c1[O-] ZINC000332718517 554502630 /nfs/dbraw/zinc/50/26/30/554502630.db2.gz JRDBCTYSNMFMQS-BDJLRTHQSA-N -1 1 369.845 2.352 20 0 FEADMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000333130312 554577033 /nfs/dbraw/zinc/57/70/33/554577033.db2.gz WUTDZSUMXCKIRB-MWLCHTKSSA-N -1 1 350.893 2.373 20 0 FEADMM Fc1ccccc1CN=c1ccc(N2CCOC3(CCOCC3)C2)n[n-]1 ZINC000333916197 554655712 /nfs/dbraw/zinc/65/57/12/554655712.db2.gz NDWSPVCXCUPMCT-UHFFFAOYSA-N -1 1 358.417 2.614 20 0 FEADMM CO[C@@](C)(c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1)C1CC1 ZINC000350452561 554790122 /nfs/dbraw/zinc/79/01/22/554790122.db2.gz KCIFBLXRMIDPFU-YMTOWFKASA-N -1 1 357.457 2.442 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)o1 ZINC000350809957 554815220 /nfs/dbraw/zinc/81/52/20/554815220.db2.gz UYVVZKIGIQEVQD-UHFFFAOYSA-N -1 1 355.322 2.107 20 0 FEADMM O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350835395 554816756 /nfs/dbraw/zinc/81/67/56/554816756.db2.gz MWJFBAAYJAVTQU-VXGBXAGGSA-N -1 1 359.357 2.299 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](Cc3ccccc3)OC)no2)co1 ZINC000351148841 554839801 /nfs/dbraw/zinc/83/98/01/554839801.db2.gz VLVADLGWOMHUTE-CYBMUJFWSA-N -1 1 363.395 2.168 20 0 FEADMM COc1cc(-c2noc(CCCC(N)=O)n2)cc(Br)c1[O-] ZINC000351230787 554845585 /nfs/dbraw/zinc/84/55/85/554845585.db2.gz SONDHNNGIWNKPF-UHFFFAOYSA-N -1 1 356.176 2.021 20 0 FEADMM O=C(CCc1cccc(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362104965 554950076 /nfs/dbraw/zinc/95/00/76/554950076.db2.gz ZSTYSPAERDUTRH-LBPRGKRZSA-N -1 1 364.247 2.301 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCc1ccc(O)cc1 ZINC000362202565 554956188 /nfs/dbraw/zinc/95/61/88/554956188.db2.gz ZXXDSZLZZYZWEE-UHFFFAOYSA-N -1 1 364.405 2.160 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](c2noc(C3CC3)n2)c2ccccc2)no1 ZINC000363228999 555059179 /nfs/dbraw/zinc/05/91/79/555059179.db2.gz ZDZHUFCLQAOHDP-HNNXBMFYSA-N -1 1 374.422 2.452 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000363316387 555076729 /nfs/dbraw/zinc/07/67/29/555076729.db2.gz JDFMVLXQOXPVPB-GFCCVEGCSA-N -1 1 365.393 2.203 20 0 FEADMM O=C(c1cccc(OCc2cccs2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363396499 555094781 /nfs/dbraw/zinc/09/47/81/555094781.db2.gz SXLIAOJHWWZIGM-HNNXBMFYSA-N -1 1 371.422 2.054 20 0 FEADMM CC(=O)c1ccc(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000511910432 561885332 /nfs/dbraw/zinc/88/53/32/561885332.db2.gz NVISFYIMDAHUPJ-UHFFFAOYSA-N -1 1 352.394 2.113 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccccc1Br)c2=O ZINC000511962807 561887074 /nfs/dbraw/zinc/88/70/74/561887074.db2.gz AQABAVOPSURKBR-UHFFFAOYSA-N -1 1 361.199 2.366 20 0 FEADMM O=C(Nc1ccncc1[O-])c1cnn(-c2cccc(Br)c2)c1 ZINC000512002479 561888449 /nfs/dbraw/zinc/88/84/49/561888449.db2.gz RXLJXJGUNORNLO-UHFFFAOYSA-N -1 1 359.183 2.410 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC[C@H]1CCO[C@H]1c1ccccc1)c2=O ZINC000512064718 561890835 /nfs/dbraw/zinc/89/08/35/561890835.db2.gz RIEIHDIRZNEAFF-DYVFJYSZSA-N -1 1 352.394 2.182 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1Br ZINC000616009234 555263176 /nfs/dbraw/zinc/26/31/76/555263176.db2.gz SQIZSSGQJLEWOF-SSDOTTSWSA-N -1 1 355.158 2.303 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1Br ZINC000616012817 555263601 /nfs/dbraw/zinc/26/36/01/555263601.db2.gz NHXLFCPQRCOJMS-SECBINFHSA-N -1 1 357.252 2.456 20 0 FEADMM CCCCS(=O)(=O)NCC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000616811120 555341246 /nfs/dbraw/zinc/34/12/46/555341246.db2.gz KAHKAQFCXQIRIC-UHFFFAOYSA-N -1 1 356.473 2.105 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)CN(C)C(=O)[C@@H](C)n3cccn3)[nH][n-]2)s1 ZINC000616810988 555341469 /nfs/dbraw/zinc/34/14/69/555341469.db2.gz DWVAEQFQYLIXDF-GFCCVEGCSA-N -1 1 372.454 2.301 20 0 FEADMM CCOCCCNC(=O)[C@@H](C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364837149 555412086 /nfs/dbraw/zinc/41/20/86/555412086.db2.gz FDMOIMDMRHRZKV-OAHLLOKOSA-N -1 1 362.470 2.496 20 0 FEADMM Cc1ccc(Cl)cc1N1C[C@@H](C(=O)[N-]OC[C@@H]2CCOC2)CC1=O ZINC000364983745 555457091 /nfs/dbraw/zinc/45/70/91/555457091.db2.gz NOJOZRGVZBDSMP-OLZOCXBDSA-N -1 1 352.818 2.086 20 0 FEADMM Cn1nccc1N1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000365661509 555634978 /nfs/dbraw/zinc/63/49/78/555634978.db2.gz HDLYVSGQFQWIIO-NSHDSACASA-N -1 1 372.853 2.160 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)cnc2n1 ZINC000365719277 555649807 /nfs/dbraw/zinc/64/98/07/555649807.db2.gz IYLSSRTYCSIUHX-ZDUSSCGKSA-N -1 1 351.410 2.082 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)c[n-]c2n1 ZINC000365719277 555649809 /nfs/dbraw/zinc/64/98/09/555649809.db2.gz IYLSSRTYCSIUHX-ZDUSSCGKSA-N -1 1 351.410 2.082 20 0 FEADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1ccc(Cl)nc1 ZINC000365826936 555676617 /nfs/dbraw/zinc/67/66/17/555676617.db2.gz FWXZADGALXRQAG-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(F)F)cc2F)co1 ZINC000513534411 561942011 /nfs/dbraw/zinc/94/20/11/561942011.db2.gz WSBAPVXBOLQRLA-UHFFFAOYSA-N -1 1 364.301 2.181 20 0 FEADMM COc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c(C)n1 ZINC000366040526 555734668 /nfs/dbraw/zinc/73/46/68/555734668.db2.gz FOUIOWGXSZRETC-UHFFFAOYSA-N -1 1 365.393 2.446 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCOc2ccccc2C)c1 ZINC000513801162 561950559 /nfs/dbraw/zinc/95/05/59/561950559.db2.gz QIIOCFNPMNGRRI-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM O=C([O-])CCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000513686921 561946713 /nfs/dbraw/zinc/94/67/13/561946713.db2.gz IKUJKFDDOLJSAN-UHFFFAOYSA-N -1 1 372.399 2.491 20 0 FEADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1OCCc2sccc21 ZINC000366483034 555856791 /nfs/dbraw/zinc/85/67/91/555856791.db2.gz YLODMGGFQOIUJH-BMIGLBTASA-N -1 1 355.419 2.417 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1-c1ccncc1 ZINC000366484718 555857314 /nfs/dbraw/zinc/85/73/14/555857314.db2.gz WBRFSABFCMZBSZ-UHFFFAOYSA-N -1 1 358.379 2.310 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H](C)C4)C3)cnc2n1 ZINC000366657764 555901076 /nfs/dbraw/zinc/90/10/76/555901076.db2.gz WKIJGZKZZGVDHK-LAPQFRIASA-N -1 1 371.437 2.442 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C1)c2=O ZINC000366657764 555901078 /nfs/dbraw/zinc/90/10/78/555901078.db2.gz WKIJGZKZZGVDHK-LAPQFRIASA-N -1 1 371.437 2.442 20 0 FEADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1c(F)ccc([O-])c1F ZINC000366799737 555937017 /nfs/dbraw/zinc/93/70/17/555937017.db2.gz BTACJFFJYPBJGO-NSHDSACASA-N -1 1 368.286 2.484 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCOc3c(C)cc(C)cc32)co1 ZINC000366862133 555954205 /nfs/dbraw/zinc/95/42/05/555954205.db2.gz FZBBFPGXOKNNOP-AWEZNQCLSA-N -1 1 364.423 2.058 20 0 FEADMM O=C([C@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12)N1CCSCC1 ZINC000367610334 556096690 /nfs/dbraw/zinc/09/66/90/556096690.db2.gz PPMBKXKPTBHICZ-MRXNPFEDSA-N -1 1 374.462 2.038 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000367708388 556119827 /nfs/dbraw/zinc/11/98/27/556119827.db2.gz UUTJONJMKPGOPT-CYBMUJFWSA-N -1 1 368.459 2.173 20 0 FEADMM [O-]c1cccnc1CN1CCOC[C@H]1c1ncnn1Cc1ccccc1 ZINC000514890999 561985315 /nfs/dbraw/zinc/98/53/15/561985315.db2.gz OIZFVPDPAFNQGZ-KRWDZBQOSA-N -1 1 351.410 2.001 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1 ZINC000368488287 556324737 /nfs/dbraw/zinc/32/47/37/556324737.db2.gz ZZUKOINKFYFJMW-UHFFFAOYSA-N -1 1 372.450 2.472 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2noc(-c3cccc(Cl)c3)n2)n[n-]1 ZINC000368543021 556340494 /nfs/dbraw/zinc/34/04/94/556340494.db2.gz JWEAZAMDZDWYOK-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000515487913 562012402 /nfs/dbraw/zinc/01/24/02/562012402.db2.gz LAESMQHEKHEEDN-UHFFFAOYSA-N -1 1 368.455 2.467 20 0 FEADMM C[C@H]1CN(C(=O)CN2CCC(c3ccccc3C(=O)[O-])CC2)C[C@H](C)O1 ZINC000368920820 556448878 /nfs/dbraw/zinc/44/88/78/556448878.db2.gz WMMHCHSMBHZUDP-GJZGRUSLSA-N -1 1 360.454 2.200 20 0 FEADMM O=C([C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000369142047 556514847 /nfs/dbraw/zinc/51/48/47/556514847.db2.gz HVEZLTYUFUOWEY-YUELXQCFSA-N -1 1 361.833 2.337 20 0 FEADMM O=C(c1ncccc1[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC000369144420 556515953 /nfs/dbraw/zinc/51/59/53/556515953.db2.gz PIHBTUYEZMYEPD-UHFFFAOYSA-N -1 1 351.204 2.224 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369452930 556604061 /nfs/dbraw/zinc/60/40/61/556604061.db2.gz RILQXUJVKMPBPT-QWHCGFSZSA-N -1 1 351.472 2.491 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2nc(CC)oc2C)n[n-]1 ZINC000516486447 562044681 /nfs/dbraw/zinc/04/46/81/562044681.db2.gz PNUDMHWQDSHLTP-LLVKDONJSA-N -1 1 363.418 2.357 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2nc(CC)oc2C)[n-]1 ZINC000516486447 562044682 /nfs/dbraw/zinc/04/46/82/562044682.db2.gz PNUDMHWQDSHLTP-LLVKDONJSA-N -1 1 363.418 2.357 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2nc(CC)oc2C)n1 ZINC000516486447 562044683 /nfs/dbraw/zinc/04/46/83/562044683.db2.gz PNUDMHWQDSHLTP-LLVKDONJSA-N -1 1 363.418 2.357 20 0 FEADMM Cc1nc(-c2ccc(NCc3cccnc3-n3cncn3)nc2)[n-]c(=O)c1C ZINC000370089079 556777293 /nfs/dbraw/zinc/77/72/93/556777293.db2.gz KGMISBYPNDXMFC-UHFFFAOYSA-N -1 1 374.408 2.449 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000516747513 562056165 /nfs/dbraw/zinc/05/61/65/562056165.db2.gz GORDZCGAXNTILN-KFWWJZLASA-N -1 1 354.520 2.322 20 0 FEADMM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370857583 556992243 /nfs/dbraw/zinc/99/22/43/556992243.db2.gz OTADSYGUWJSGCI-GJZGRUSLSA-N -1 1 361.471 2.058 20 0 FEADMM O=C(C=Cc1cccc(OC2CCCC2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370860336 556993624 /nfs/dbraw/zinc/99/36/24/556993624.db2.gz JNFZBQXJNFLGMN-IJDCCNJMSA-N -1 1 369.425 2.134 20 0 FEADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000370860402 556993694 /nfs/dbraw/zinc/99/36/94/556993694.db2.gz JWRFMPZVEWVAAS-CQSZACIVSA-N -1 1 361.833 2.265 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](c2ccco2)C1 ZINC000370863504 556994391 /nfs/dbraw/zinc/99/43/91/556994391.db2.gz WGYZCCSUGXVJGB-HNNXBMFYSA-N -1 1 364.405 2.292 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000371282818 557130311 /nfs/dbraw/zinc/13/03/11/557130311.db2.gz IFIVALOUGVAHIA-UHFFFAOYSA-N -1 1 352.350 2.109 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)c3ccc(C(=O)[O-])cc3)n[nH]2)cc1 ZINC000371282818 557130313 /nfs/dbraw/zinc/13/03/13/557130313.db2.gz IFIVALOUGVAHIA-UHFFFAOYSA-N -1 1 352.350 2.109 20 0 FEADMM O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000371297472 557135832 /nfs/dbraw/zinc/13/58/32/557135832.db2.gz KUAMRDKSLAZJIZ-LLVKDONJSA-N -1 1 357.805 2.263 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000371482696 557195582 /nfs/dbraw/zinc/19/55/82/557195582.db2.gz MTQUMRFROZQFCZ-KDOFPFPSSA-N -1 1 368.433 2.397 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3ccc(O)c(OC)c3)CC2)c1=N ZINC000371568229 557225109 /nfs/dbraw/zinc/22/51/09/557225109.db2.gz HOGFHNJFNHUTTL-UHFFFAOYSA-N -1 1 374.441 2.024 20 0 FEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2noc3ccccc32)C2CC2)no1 ZINC000517824769 562098754 /nfs/dbraw/zinc/09/87/54/562098754.db2.gz NGMJEIUZRJORRG-INIZCTEOSA-N -1 1 362.411 2.264 20 0 FEADMM CN(C[C@@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1 ZINC000371658830 557254966 /nfs/dbraw/zinc/25/49/66/557254966.db2.gz DQFHAWOLYLRQOA-HNNXBMFYSA-N -1 1 365.437 2.415 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000517878454 562099623 /nfs/dbraw/zinc/09/96/23/562099623.db2.gz SYQJFWGIWZXDTE-UHFFFAOYSA-N -1 1 364.409 2.129 20 0 FEADMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000517924112 562100665 /nfs/dbraw/zinc/10/06/65/562100665.db2.gz RXSYROBQRDOCGD-UHFFFAOYSA-N -1 1 374.418 2.088 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)c1 ZINC000517921399 562100711 /nfs/dbraw/zinc/10/07/11/562100711.db2.gz KXVMMXVIKNZRCH-UHFFFAOYSA-N -1 1 374.418 2.183 20 0 FEADMM CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000371851903 557311346 /nfs/dbraw/zinc/31/13/46/557311346.db2.gz IXOOBGJWDCEUFP-UHFFFAOYSA-N -1 1 360.863 2.145 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000371851903 557311348 /nfs/dbraw/zinc/31/13/48/557311348.db2.gz IXOOBGJWDCEUFP-UHFFFAOYSA-N -1 1 360.863 2.145 20 0 FEADMM CCN(CCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)CCC(F)(F)F ZINC000518369904 562109802 /nfs/dbraw/zinc/10/98/02/562109802.db2.gz FFYIWGUGNQFSAF-NEPJUHHUSA-N -1 1 353.385 2.013 20 0 FEADMM CCN(CCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)CCC(F)(F)F ZINC000518369905 562109839 /nfs/dbraw/zinc/10/98/39/562109839.db2.gz FFYIWGUGNQFSAF-NWDGAFQWSA-N -1 1 353.385 2.013 20 0 FEADMM COc1cc(NC(=O)c2c[nH]c3ncccc23)ccc1[N-]S(C)(=O)=O ZINC000518415255 562110979 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O=C(NCCc1cnccn1)c1c([O-])cnc2c(Br)cccc21 ZINC000519636118 562138059 /nfs/dbraw/zinc/13/80/59/562138059.db2.gz PNYSVSXHCAEKBE-UHFFFAOYSA-N -1 1 373.210 2.465 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC12CCCCC2 ZINC000373048040 557616795 /nfs/dbraw/zinc/61/67/95/557616795.db2.gz GDMKHKDMXKWVQX-UHFFFAOYSA-N -1 1 374.485 2.195 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1nc(-c2cccc(F)c2)no1 ZINC000373108740 557630420 /nfs/dbraw/zinc/63/04/20/557630420.db2.gz JRIHQKNVBWFVQC-SECBINFHSA-N -1 1 352.347 2.044 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2C)C2CCOCC2)n1 ZINC000519839644 562146242 /nfs/dbraw/zinc/14/62/42/562146242.db2.gz KGHWNYVAOMDZQQ-HNNXBMFYSA-N -1 1 369.418 2.272 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnc2c(c1)COCC2 ZINC000373200184 557648651 /nfs/dbraw/zinc/64/86/51/557648651.db2.gz FWISZUKWHQILHR-UHFFFAOYSA-N -1 1 361.423 2.168 20 0 FEADMM O=C(c1cc(Cl)ccc1[O-])N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000373312510 557670402 /nfs/dbraw/zinc/67/04/02/557670402.db2.gz BCOWITLGHNIBPG-UHFFFAOYSA-N -1 1 360.723 2.398 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ccc(F)cc1 ZINC000373831595 557768846 /nfs/dbraw/zinc/76/88/46/557768846.db2.gz NPNOHKSNCHKYPX-RYUDHWBXSA-N -1 1 361.421 2.095 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)o1 ZINC000374064546 557816656 /nfs/dbraw/zinc/81/66/56/557816656.db2.gz FAFFHVQMOFJXDF-UHFFFAOYSA-N -1 1 366.414 2.347 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(OCC2CC2)CC1 ZINC000374116971 557826195 /nfs/dbraw/zinc/82/61/95/557826195.db2.gz CBQQVZLRENUDND-UHFFFAOYSA-N -1 1 358.442 2.012 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cncc(-c3cnn(C)c3)c2)c1 ZINC000374405196 557879877 /nfs/dbraw/zinc/87/98/77/557879877.db2.gz WGLGPCKRXPAXQJ-UHFFFAOYSA-N -1 1 352.350 2.227 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-n3nnnc3C)c2)c1 ZINC000374424498 557882508 /nfs/dbraw/zinc/88/25/08/557882508.db2.gz QNUJOMFGUBDMLN-UHFFFAOYSA-N -1 1 373.438 2.479 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000374432973 557883523 /nfs/dbraw/zinc/88/35/23/557883523.db2.gz DNBVWDYSAQMPQE-UHFFFAOYSA-N -1 1 372.377 2.263 20 0 FEADMM CCc1oc(C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)cc1C(=O)[O-] ZINC000375032680 557967281 /nfs/dbraw/zinc/96/72/81/557967281.db2.gz XKODOBZAENVJAC-UHFFFAOYSA-N -1 1 370.365 2.264 20 0 FEADMM CCc1oc(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)cc1C(=O)[O-] ZINC000375032680 557967283 /nfs/dbraw/zinc/96/72/83/557967283.db2.gz XKODOBZAENVJAC-UHFFFAOYSA-N -1 1 370.365 2.264 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(F)(c2cccnc2)CC1 ZINC000375081855 557974853 /nfs/dbraw/zinc/97/48/53/557974853.db2.gz SVRPLVVYTLQANP-UHFFFAOYSA-N -1 1 352.369 2.419 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@]3(C1)OCc1ccccc13)c2=O ZINC000375406990 558022001 /nfs/dbraw/zinc/02/20/01/558022001.db2.gz YEENHAXZZDIECY-FQEVSTJZSA-N -1 1 364.405 2.336 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000375994745 558111217 /nfs/dbraw/zinc/11/12/17/558111217.db2.gz RXSUCLTZYCEYCI-SWLSCSKDSA-N -1 1 352.818 2.231 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000377244735 558297500 /nfs/dbraw/zinc/29/75/00/558297500.db2.gz XXNBEGUWOAXZPD-NVXWUHKLSA-N -1 1 374.485 2.051 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCN1Cc1ccccc1 ZINC000377491620 558350622 /nfs/dbraw/zinc/35/06/22/558350622.db2.gz ZDSDQAJFKPTIFD-CQSZACIVSA-N -1 1 366.389 2.044 20 0 FEADMM CCc1n[n-]c(=NC(=O)N(C)C2CCN(Cc3ccncc3)CC2)s1 ZINC000377575417 558369462 /nfs/dbraw/zinc/36/94/62/558369462.db2.gz ORYCCJMEZXXKGR-UHFFFAOYSA-N -1 1 360.487 2.624 20 0 FEADMM Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)n1C1CCCCC1 ZINC000377595920 558373651 /nfs/dbraw/zinc/37/36/51/558373651.db2.gz SNTOWBLKMCNSQJ-MRXNPFEDSA-N -1 1 358.446 2.337 20 0 FEADMM O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)c1ccc([O-])cc1 ZINC000522624745 562200538 /nfs/dbraw/zinc/20/05/38/562200538.db2.gz OYTIZCLCMGFUJP-UHFFFAOYSA-N -1 1 356.363 2.072 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([S@](C)=O)c1 ZINC000522744651 562203043 /nfs/dbraw/zinc/20/30/43/562203043.db2.gz FPFKWAMGAUMGAT-NRFANRHFSA-N -1 1 359.450 2.293 20 0 FEADMM NC(=O)[C@H]1CC[C@H](C(F)(F)F)N(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000378518338 558573953 /nfs/dbraw/zinc/57/39/53/558573953.db2.gz LCHRKXQPALSLES-LKFCYVNXSA-N -1 1 370.327 2.127 20 0 FEADMM NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000378518339 558574062 /nfs/dbraw/zinc/57/40/62/558574062.db2.gz LCHRKXQPALSLES-OTYXRUKQSA-N -1 1 370.327 2.127 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC([C@H]2CCCOC2)CC1 ZINC000378588233 558589612 /nfs/dbraw/zinc/58/96/12/558589612.db2.gz BZSBCPAJMBHPQQ-INIZCTEOSA-N -1 1 372.469 2.259 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cs1 ZINC000391583126 558614217 /nfs/dbraw/zinc/61/42/17/558614217.db2.gz OZIBTZBJXCMFAM-UHFFFAOYSA-N -1 1 366.420 2.139 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000410280357 558749655 /nfs/dbraw/zinc/74/96/55/558749655.db2.gz XCMPQKMXAXVYKZ-CYBMUJFWSA-N -1 1 358.442 2.916 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000410280945 558749671 /nfs/dbraw/zinc/74/96/71/558749671.db2.gz CQBOHBHYUWGVTH-MRVPVSSYSA-N -1 1 371.224 2.791 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2C)c1 ZINC000410329229 558751524 /nfs/dbraw/zinc/75/15/24/558751524.db2.gz GTGUVODSETVJHH-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000410373612 558753756 /nfs/dbraw/zinc/75/37/56/558753756.db2.gz KWLOEAJGUPPDSZ-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM COc1cncc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000410398873 558754964 /nfs/dbraw/zinc/75/49/64/558754964.db2.gz MEHHWJZVGYLORK-LLVKDONJSA-N -1 1 350.396 2.469 20 0 FEADMM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000412276048 559024325 /nfs/dbraw/zinc/02/43/25/559024325.db2.gz YAPHJGGAOYSJHA-VIFPVBQESA-N -1 1 355.320 2.082 20 0 FEADMM COc1cc(C(=O)NCCc2cn3c(n2)SCC3)cc(Cl)c1[O-] ZINC000526071640 562265958 /nfs/dbraw/zinc/26/59/58/562265958.db2.gz XHRXZGAQEYXYRS-UHFFFAOYSA-N -1 1 353.831 2.329 20 0 FEADMM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000413512958 559113277 /nfs/dbraw/zinc/11/32/77/559113277.db2.gz KBGBSXOIVOISKP-VIFPVBQESA-N -1 1 357.336 2.328 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)c1C ZINC000414397541 559161466 /nfs/dbraw/zinc/16/14/66/559161466.db2.gz PNBOSSQOGFBQFR-UHFFFAOYSA-N -1 1 368.434 2.162 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)ccn1 ZINC000414453027 559164586 /nfs/dbraw/zinc/16/45/86/559164586.db2.gz OHEUSYHZDAXQHX-LLVKDONJSA-N -1 1 361.423 2.189 20 0 FEADMM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cnc2n1CCC2 ZINC000527107817 562276669 /nfs/dbraw/zinc/27/66/69/562276669.db2.gz ITHBWWXAXGULQV-AWEZNQCLSA-N -1 1 373.438 2.358 20 0 FEADMM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cnc2n1CCC2 ZINC000527107818 562276819 /nfs/dbraw/zinc/27/68/19/562276819.db2.gz ITHBWWXAXGULQV-CQSZACIVSA-N -1 1 373.438 2.358 20 0 FEADMM COc1cc(C(=O)Nc2cccc(OCC(N)=O)c2)cc(Cl)c1[O-] ZINC000527198625 562279920 /nfs/dbraw/zinc/27/99/20/562279920.db2.gz SCFMWPVABHQNRN-UHFFFAOYSA-N -1 1 350.758 2.171 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000416173534 559296333 /nfs/dbraw/zinc/29/63/33/559296333.db2.gz CWAPFROGBBSPQD-SNVBAGLBSA-N -1 1 363.345 2.068 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccs1 ZINC000416388466 559309474 /nfs/dbraw/zinc/30/94/74/559309474.db2.gz LDRZGIASRWYPAM-NWANDNLSSA-N -1 1 351.449 2.438 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)o1 ZINC000416463317 559315053 /nfs/dbraw/zinc/31/50/53/559315053.db2.gz BXDXEXCOHNZYNJ-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2cccc(F)c2F)cc1C ZINC000416521132 559319547 /nfs/dbraw/zinc/31/95/47/559319547.db2.gz YNIHAKQUFBHGSZ-CQSZACIVSA-N -1 1 355.406 2.464 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)o1 ZINC000416634014 559326501 /nfs/dbraw/zinc/32/65/01/559326501.db2.gz QDCOBQDHCGHCTR-UHFFFAOYSA-N -1 1 352.412 2.107 20 0 FEADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(N)=O)cc2)c1OC ZINC000417585098 559368004 /nfs/dbraw/zinc/36/80/04/559368004.db2.gz OVPQUZHRNMHJEN-HNNXBMFYSA-N -1 1 358.394 2.108 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000420683518 559497802 /nfs/dbraw/zinc/49/78/02/559497802.db2.gz BPZAJSIFSVCTTK-ZIAGYGMSSA-N -1 1 351.509 2.333 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)OC ZINC000420687764 559498003 /nfs/dbraw/zinc/49/80/03/559498003.db2.gz DNYPOMHUTPIMIF-HOTGVXAUSA-N -1 1 371.499 2.284 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cccc1CO ZINC000421143976 559526473 /nfs/dbraw/zinc/52/64/73/559526473.db2.gz BFLBVRKCWLHBTO-OAHLLOKOSA-N -1 1 353.415 2.317 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1cnn(Cc2ccc(OC)cc2)c1)OC ZINC000421145793 559526588 /nfs/dbraw/zinc/52/65/88/559526588.db2.gz AVOJCMUTGVQUBR-HNNXBMFYSA-N -1 1 353.444 2.107 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cnn(Cc2ccncc2)c1 ZINC000421155311 559527220 /nfs/dbraw/zinc/52/72/20/559527220.db2.gz OEJQZUSHUCIOCK-INIZCTEOSA-N -1 1 352.460 2.129 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1n[nH]c(SCc2ccccc2)n1)OC ZINC000421229633 559532326 /nfs/dbraw/zinc/53/23/26/559532326.db2.gz GYSSCNFSFVGNJL-GFCCVEGCSA-N -1 1 356.473 2.264 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000421919884 559556648 /nfs/dbraw/zinc/55/66/48/559556648.db2.gz MIILQQFBVMCXJP-GOSISDBHSA-N -1 1 361.373 2.273 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@]12CCOC2 ZINC000422077432 559563969 /nfs/dbraw/zinc/56/39/69/559563969.db2.gz KZZPGDLDBRCBFC-IBGZPJMESA-N -1 1 372.446 2.492 20 0 FEADMM CC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000422121700 559566513 /nfs/dbraw/zinc/56/65/13/559566513.db2.gz HACLWTOJRPIPNV-INIZCTEOSA-N -1 1 362.451 2.297 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000424389895 559662782 /nfs/dbraw/zinc/66/27/82/559662782.db2.gz MIGBHWFOHLQBNU-GOEBONIOSA-N -1 1 353.438 2.475 20 0 FEADMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)C1(C)C ZINC000425175310 559689604 /nfs/dbraw/zinc/68/96/04/559689604.db2.gz IHRAXYRPOYLMOU-XJKSGUPXSA-N -1 1 363.426 2.118 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCC[N@@H+]2CCCO[C@@H](C)C2)c(F)c1 ZINC000425193740 559690405 /nfs/dbraw/zinc/69/04/05/559690405.db2.gz NIHREIGAZSRNLO-ZDUSSCGKSA-N -1 1 362.442 2.052 20 0 FEADMM C[C@@H](N=c1ccc(N2CCN(c3cccnn3)CC2)n[n-]1)c1ccccc1 ZINC000425221097 559692151 /nfs/dbraw/zinc/69/21/51/559692151.db2.gz FVYFEXXXKXDSDB-MRXNPFEDSA-N -1 1 361.453 2.766 20 0 FEADMM O=C(CCc1cc2ccccc2[nH]c1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293115 559694916 /nfs/dbraw/zinc/69/49/16/559694916.db2.gz BCGJXQGUOBVXHK-CQSZACIVSA-N -1 1 368.393 2.368 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1(C)C ZINC000425303567 559695580 /nfs/dbraw/zinc/69/55/80/559695580.db2.gz OXVRZCJDIVZVPB-UTUOFQBUSA-N -1 1 365.430 2.095 20 0 FEADMM O=C(c1cnc(Oc2ccccc2)cn1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425305189 559695849 /nfs/dbraw/zinc/69/58/49/559695849.db2.gz QVEDNVIYYQJUAZ-LBPRGKRZSA-N -1 1 367.365 2.377 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1-n1cccn1 ZINC000425307470 559695908 /nfs/dbraw/zinc/69/59/08/559695908.db2.gz TYBFUMNEPRVKAZ-AWEZNQCLSA-N -1 1 353.382 2.289 20 0 FEADMM COc1cc(OC2CC2)ccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425310563 559696024 /nfs/dbraw/zinc/69/60/24/559696024.db2.gz XNHKWUXVZUBFES-LLVKDONJSA-N -1 1 359.382 2.345 20 0 FEADMM O=C(C[C@@H]1CSc2ccccc2O1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425319091 559696407 /nfs/dbraw/zinc/69/64/07/559696407.db2.gz JEGGKUXIWJHEAG-GFCCVEGCSA-N -1 1 361.423 2.425 20 0 FEADMM O=C(CCOCC(F)(F)C(F)(F)F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425324619 559696743 /nfs/dbraw/zinc/69/67/43/559696743.db2.gz QQHOVTSBLQMPJP-UHFFFAOYSA-N -1 1 373.278 2.086 20 0 FEADMM CCc1nc(CNCc2cc(OC)c3c(c2)OCCO3)ccc1C(=O)[O-] ZINC000426666331 559739963 /nfs/dbraw/zinc/73/99/63/559739963.db2.gz QJXXWRHQKLMWAA-UHFFFAOYSA-N -1 1 358.394 2.412 20 0 FEADMM Cc1cnn(C[C@@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000426762281 559741472 /nfs/dbraw/zinc/74/14/72/559741472.db2.gz IWZFENXTSZXPCX-CYBMUJFWSA-N -1 1 356.195 2.336 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)cn1 ZINC000427312928 559753052 /nfs/dbraw/zinc/75/30/52/559753052.db2.gz KQAVITSGBQGLCH-UHFFFAOYSA-N -1 1 373.434 2.441 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ncccc1[O-] ZINC000427530591 559757408 /nfs/dbraw/zinc/75/74/08/559757408.db2.gz JUCQSAYEXNYEAO-GFCCVEGCSA-N -1 1 354.328 2.387 20 0 FEADMM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000427967750 559766640 /nfs/dbraw/zinc/76/66/40/559766640.db2.gz RZKJTQNBHKAFDQ-ZDUSSCGKSA-N -1 1 351.472 2.959 20 0 FEADMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000430274328 559816769 /nfs/dbraw/zinc/81/67/69/559816769.db2.gz DFBJPDORPMHJAG-VIFPVBQESA-N -1 1 370.814 2.099 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3C[C@H]3C3CC3)c2)n1 ZINC000431187440 559835627 /nfs/dbraw/zinc/83/56/27/559835627.db2.gz OUWJLIUCEWLBQL-LSDHHAIUSA-N -1 1 369.425 2.246 20 0 FEADMM NC(=O)c1csc(=N[C@H]2CCN(c3cccc(Br)c3)C2)[n-]1 ZINC000432146474 559852923 /nfs/dbraw/zinc/85/29/23/559852923.db2.gz BFINVRJZEKCVOU-JTQLQIEISA-N -1 1 367.272 2.695 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432187859 559853749 /nfs/dbraw/zinc/85/37/49/559853749.db2.gz XOFKXTZRKMIZBC-UHFFFAOYSA-N -1 1 357.391 2.287 20 0 FEADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432191495 559853897 /nfs/dbraw/zinc/85/38/97/559853897.db2.gz JFIYWXYMKPJAFK-UHFFFAOYSA-N -1 1 371.418 2.031 20 0 FEADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc3n(n2)CCCO3)[nH][n-]1 ZINC000432507691 559859954 /nfs/dbraw/zinc/85/99/54/559859954.db2.gz UXPBGHNISXSMIB-UHFFFAOYSA-N -1 1 373.800 2.970 20 0 FEADMM C[C@H](O)CCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000432831515 559865859 /nfs/dbraw/zinc/86/58/59/559865859.db2.gz UZJUZKCOWOQFMM-NSHDSACASA-N -1 1 371.409 2.734 20 0 FEADMM CCn1cnc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000432960927 559868910 /nfs/dbraw/zinc/86/89/10/559868910.db2.gz MHWIGKUDPVDVSD-LBPRGKRZSA-N -1 1 351.325 2.466 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ncc(C)o3)c2)n1 ZINC000432999614 559869649 /nfs/dbraw/zinc/86/96/49/559869649.db2.gz UGXHWDNBTGJTSI-UHFFFAOYSA-N -1 1 370.369 2.267 20 0 FEADMM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433440590 559881331 /nfs/dbraw/zinc/88/13/31/559881331.db2.gz CAIPXNCHOFKNGO-SCSAIBSYSA-N -1 1 362.654 2.004 20 0 FEADMM CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433489632 559882995 /nfs/dbraw/zinc/88/29/95/559882995.db2.gz DEJKGROLCJEJBK-AWEZNQCLSA-N -1 1 365.407 2.057 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC3CC(C)C3)c2)n1 ZINC000434410422 559899870 /nfs/dbraw/zinc/89/98/70/559899870.db2.gz CYKGWSMFWAHGHS-UHFFFAOYSA-N -1 1 357.414 2.246 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000435233530 559918491 /nfs/dbraw/zinc/91/84/91/559918491.db2.gz VJYXXYBCMQCWMP-DLBZAZTESA-N -1 1 361.401 2.343 20 0 FEADMM CCc1cc(=O)[n-]c(SCCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC000436209540 559937667 /nfs/dbraw/zinc/93/76/67/559937667.db2.gz LHTXEXCFGXPQJC-UHFFFAOYSA-N -1 1 354.453 2.319 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1 ZINC000436512069 559943834 /nfs/dbraw/zinc/94/38/34/559943834.db2.gz XPAPKQFPNVAYJE-UHFFFAOYSA-N -1 1 367.361 2.029 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000436517873 559944028 /nfs/dbraw/zinc/94/40/28/559944028.db2.gz IIXHGSNRWMGRMV-OAHLLOKOSA-N -1 1 368.389 2.166 20 0 FEADMM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1c([O-])cccc1F ZINC000436593744 559946182 /nfs/dbraw/zinc/94/61/82/559946182.db2.gz DMSWRXRXUQNJII-UHFFFAOYSA-N -1 1 361.392 2.222 20 0 FEADMM O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436639224 559947372 /nfs/dbraw/zinc/94/73/72/559947372.db2.gz JOFTZMMVTUYDBD-GOSISDBHSA-N -1 1 362.385 2.294 20 0 FEADMM CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000436655778 559948054 /nfs/dbraw/zinc/94/80/54/559948054.db2.gz NLUWRNMVNNCRMJ-LLVKDONJSA-N -1 1 358.316 2.021 20 0 FEADMM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436670243 559948393 /nfs/dbraw/zinc/94/83/93/559948393.db2.gz DBOOWOAJYYDYLW-UHFFFAOYSA-N -1 1 356.397 2.495 20 0 FEADMM O=C(C(=O)N1CCN(C/C=C\c2ccccc2)CC1)c1ccc([O-])cc1 ZINC000436696619 559949142 /nfs/dbraw/zinc/94/91/42/559949142.db2.gz JMAWDANATOKMKY-DAXSKMNVSA-N -1 1 350.418 2.433 20 0 FEADMM Cc1ccc(CNC(=O)c2cc(Br)ccc2[O-])c(=O)n1C ZINC000436704804 559949479 /nfs/dbraw/zinc/94/94/79/559949479.db2.gz PYYARTZCGCVSDW-UHFFFAOYSA-N -1 1 351.200 2.092 20 0 FEADMM CC(C)CN1C[C@@H]2CN(C(=O)c3cc(Cl)ccc3[O-])CCN2C1=O ZINC000436709159 559949548 /nfs/dbraw/zinc/94/95/48/559949548.db2.gz MDJCTVOTQUAJAR-ZDUSSCGKSA-N -1 1 351.834 2.264 20 0 FEADMM COc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)nc3c2)c([O-])c1 ZINC000436740004 559950590 /nfs/dbraw/zinc/95/05/90/559950590.db2.gz PENLGCZGFHUUGK-UHFFFAOYSA-N -1 1 368.393 2.366 20 0 FEADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436755334 559950941 /nfs/dbraw/zinc/95/09/41/559950941.db2.gz KZEMYEHOKONEQX-UHFFFAOYSA-N -1 1 372.402 2.454 20 0 FEADMM CC[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)N1CCCC1=O ZINC000436909355 559956119 /nfs/dbraw/zinc/95/61/19/559956119.db2.gz AGKOOVWTLVZODC-LLVKDONJSA-N -1 1 363.805 2.170 20 0 FEADMM CC[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)N1CCCC1=O ZINC000436909355 559956120 /nfs/dbraw/zinc/95/61/20/559956120.db2.gz AGKOOVWTLVZODC-LLVKDONJSA-N -1 1 363.805 2.170 20 0 FEADMM COc1ccc(C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)c([O-])c1 ZINC000436965311 559957597 /nfs/dbraw/zinc/95/75/97/559957597.db2.gz NZPSUOAXVUQSDN-UHFFFAOYSA-N -1 1 350.758 2.414 20 0 FEADMM COc1cc(C[C@@H](CO)CNC(=O)c2c([O-])cccc2F)cc(OC)c1 ZINC000436988474 559958747 /nfs/dbraw/zinc/95/87/47/559958747.db2.gz KCSSESBWLHPHPA-CYBMUJFWSA-N -1 1 363.385 2.130 20 0 FEADMM CCN(CC)C(=O)CCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436991873 559958812 /nfs/dbraw/zinc/95/88/12/559958812.db2.gz UZGPJQRWGSJMAO-UHFFFAOYSA-N -1 1 365.821 2.418 20 0 FEADMM CCN(CC)C(=O)CCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436991873 559958813 /nfs/dbraw/zinc/95/88/13/559958813.db2.gz UZGPJQRWGSJMAO-UHFFFAOYSA-N -1 1 365.821 2.418 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000438500769 559979722 /nfs/dbraw/zinc/97/97/22/559979722.db2.gz IVPQSMPGARZBOZ-HXUWFJFHSA-N -1 1 374.485 2.432 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2OC2CCCCC2)n1 ZINC000439155785 559989387 /nfs/dbraw/zinc/98/93/87/559989387.db2.gz UYDUMOFIZQRNBU-UHFFFAOYSA-N -1 1 364.427 2.172 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2OC2CCCCC2)[n-]1 ZINC000439155785 559989388 /nfs/dbraw/zinc/98/93/88/559989388.db2.gz UYDUMOFIZQRNBU-UHFFFAOYSA-N -1 1 364.427 2.172 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)Oc1cccc(F)c1 ZINC000440397763 560010268 /nfs/dbraw/zinc/01/02/68/560010268.db2.gz JQSRUEWIUIXKBJ-GFCCVEGCSA-N -1 1 371.386 2.341 20 0 FEADMM N=c1nc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)s[n-]1 ZINC000440576171 560014629 /nfs/dbraw/zinc/01/46/29/560014629.db2.gz PQGRVDVKMUFLIU-UHFFFAOYSA-N -1 1 360.418 2.237 20 0 FEADMM COc1cc(C(=O)NCCNC(=O)c2cccs2)cc(Cl)c1[O-] ZINC000442716362 560054903 /nfs/dbraw/zinc/05/49/03/560054903.db2.gz CBAQJSIRQHVOOG-UHFFFAOYSA-N -1 1 354.815 2.276 20 0 FEADMM CC(C)(C)OC(=O)CN[C@]1(C)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000442832177 560058874 /nfs/dbraw/zinc/05/88/74/560058874.db2.gz XXPKWDWFBMXRBS-GOSISDBHSA-N -1 1 352.406 2.067 20 0 FEADMM COc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc(OC)c1O ZINC000443181512 560073656 /nfs/dbraw/zinc/07/36/56/560073656.db2.gz MFBAUGDHPCJICB-UHFFFAOYSA-N -1 1 359.350 2.166 20 0 FEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443228226 560075341 /nfs/dbraw/zinc/07/53/41/560075341.db2.gz VGMIWMWEPXZIJG-VXGBXAGGSA-N -1 1 371.817 2.237 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@@H]1CCOC1)c1c(Cl)cccc1C(F)(F)F ZINC000443284951 560077712 /nfs/dbraw/zinc/07/77/12/560077712.db2.gz RUOPKICIMFNFHU-KCJUWKMLSA-N -1 1 373.780 2.035 20 0 FEADMM COc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000443325794 560079794 /nfs/dbraw/zinc/07/97/94/560079794.db2.gz YQGGBZNLRUGCBW-GXTWGEPZSA-N -1 1 373.858 2.236 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)o1 ZINC000443374023 560082258 /nfs/dbraw/zinc/08/22/58/560082258.db2.gz NYBBGMFDSULINP-LLVKDONJSA-N -1 1 353.396 2.071 20 0 FEADMM COc1cc(NC(=O)NCC2(C3CC3)CC2)ccc1[N-]S(C)(=O)=O ZINC000443929139 560096372 /nfs/dbraw/zinc/09/63/72/560096372.db2.gz OGTAWBUJIONLPW-UHFFFAOYSA-N -1 1 353.444 2.378 20 0 FEADMM CNC(=O)CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444378449 560112367 /nfs/dbraw/zinc/11/23/67/560112367.db2.gz IGPVTMMZMXDEST-UHFFFAOYSA-N -1 1 361.442 2.310 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3oc(CC)cc3C)CC2)n1 ZINC000444650718 560117673 /nfs/dbraw/zinc/11/76/73/560117673.db2.gz FBGXOGYRTOFDJN-UHFFFAOYSA-N -1 1 360.414 2.465 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3c[nH]nc3-c3cnn(C)c3)[nH][n-]2)c1 ZINC000444817406 560121612 /nfs/dbraw/zinc/12/16/12/560121612.db2.gz UHROMYMFYZPBSK-UHFFFAOYSA-N -1 1 365.372 2.900 20 0 FEADMM COc1ccc(CCNC(=O)Cc2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000445407516 560132135 /nfs/dbraw/zinc/13/21/35/560132135.db2.gz OFMPNEPWEJZFIC-UHFFFAOYSA-N -1 1 371.368 2.491 20 0 FEADMM Cn1c2ccccc2n(CCc2nc(-c3ccc([O-])cc3F)no2)c1=O ZINC000445460609 560132333 /nfs/dbraw/zinc/13/23/33/560132333.db2.gz SDAJYFUEBMLVBN-UHFFFAOYSA-N -1 1 354.341 2.477 20 0 FEADMM CC(C)[C@@H](C)NC(=O)CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447478540 560162933 /nfs/dbraw/zinc/16/29/33/560162933.db2.gz MBCAZXWGXNJPRV-LLVKDONJSA-N -1 1 353.419 2.150 20 0 FEADMM CC(C)[C@@H](C)NC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447478540 560162934 /nfs/dbraw/zinc/16/29/34/560162934.db2.gz MBCAZXWGXNJPRV-LLVKDONJSA-N -1 1 353.419 2.150 20 0 FEADMM O=C(CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)N1CCCCCC1 ZINC000447487178 560163151 /nfs/dbraw/zinc/16/31/51/560163151.db2.gz IARLUYCMLQCNDS-UHFFFAOYSA-N -1 1 365.430 2.392 20 0 FEADMM O=C(CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1)N1CCCCCC1 ZINC000447487178 560163152 /nfs/dbraw/zinc/16/31/52/560163152.db2.gz IARLUYCMLQCNDS-UHFFFAOYSA-N -1 1 365.430 2.392 20 0 FEADMM CC(C)CCCS(=O)(=O)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000447498902 560163267 /nfs/dbraw/zinc/16/32/67/560163267.db2.gz DPQWEXPDFRMBBA-UHFFFAOYSA-N -1 1 351.428 2.453 20 0 FEADMM CC(C)CCCS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000447498902 560163268 /nfs/dbraw/zinc/16/32/68/560163268.db2.gz DPQWEXPDFRMBBA-UHFFFAOYSA-N -1 1 351.428 2.453 20 0 FEADMM O=S(=O)(Cc1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)n[n-]1 ZINC000447499158 560163308 /nfs/dbraw/zinc/16/33/08/560163308.db2.gz FEIBNGYHKAKCSG-UHFFFAOYSA-N -1 1 357.391 2.217 20 0 FEADMM O=S(=O)(Cc1ccccc1)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000447499158 560163309 /nfs/dbraw/zinc/16/33/09/560163309.db2.gz FEIBNGYHKAKCSG-UHFFFAOYSA-N -1 1 357.391 2.217 20 0 FEADMM CC(C)n1nc(-c2ccco2)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000447861314 560171348 /nfs/dbraw/zinc/17/13/48/560171348.db2.gz OYPSEMASTSHPPY-UHFFFAOYSA-N -1 1 369.381 2.193 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000448660935 560193306 /nfs/dbraw/zinc/19/33/06/560193306.db2.gz MEGCMONOGCZXFG-RKDXNWHRSA-N -1 1 352.334 2.204 20 0 FEADMM Cn1cc(C(C)(C)C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cn1 ZINC000450702099 560270829 /nfs/dbraw/zinc/27/08/29/560270829.db2.gz YWDZJKRGPLXCPV-UHFFFAOYSA-N -1 1 360.805 2.481 20 0 FEADMM Cn1cc(C(C)(C)C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cn1 ZINC000450702099 560270830 /nfs/dbraw/zinc/27/08/30/560270830.db2.gz YWDZJKRGPLXCPV-UHFFFAOYSA-N -1 1 360.805 2.481 20 0 FEADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)OC ZINC000451030419 560283461 /nfs/dbraw/zinc/28/34/61/560283461.db2.gz UCLNTULCUSUWOF-RNCFNFMXSA-N -1 1 351.827 2.486 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)cs1)c1ccc(OC)cc1 ZINC000451165879 560290876 /nfs/dbraw/zinc/29/08/76/560290876.db2.gz MOYYQTUDLFICJJ-CQSZACIVSA-N -1 1 355.437 2.258 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@H]1CCCO1)c1sc2ccccc2c1Cl ZINC000451479915 560309527 /nfs/dbraw/zinc/30/95/27/560309527.db2.gz OJIBUWZMAQXYJE-GHMZBOCLSA-N -1 1 361.872 2.373 20 0 FEADMM O=S(=O)([N-]C1(CF)CCOCC1)c1cccc(Br)c1F ZINC000451735506 560325510 /nfs/dbraw/zinc/32/55/10/560325510.db2.gz JTFIFYRGMZUURP-UHFFFAOYSA-N -1 1 370.215 2.385 20 0 FEADMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000451780592 560328202 /nfs/dbraw/zinc/32/82/02/560328202.db2.gz WFMFPXZCOGXDQO-JGVFFNPUSA-N -1 1 360.284 2.385 20 0 FEADMM CC(C)([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1nnc2n1CCCC2 ZINC000451785045 560328299 /nfs/dbraw/zinc/32/82/99/560328299.db2.gz OOVIFVXGYOITTO-UHFFFAOYSA-N -1 1 374.388 2.245 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)o1 ZINC000451802516 560329566 /nfs/dbraw/zinc/32/95/66/560329566.db2.gz OGVULANMYMVPBT-GFCCVEGCSA-N -1 1 357.428 2.084 20 0 FEADMM CC(C)(NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCC1 ZINC000451864941 560333374 /nfs/dbraw/zinc/33/33/74/560333374.db2.gz JJSCPHRENDQFSX-UHFFFAOYSA-N -1 1 364.464 2.054 20 0 FEADMM COc1cc(NC(=O)NCc2cc(C)ccn2)ccc1[N-]S(C)(=O)=O ZINC000454775626 560457726 /nfs/dbraw/zinc/45/77/26/560457726.db2.gz OHUSWCNGAXETRC-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM CCOc1cc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)cc(Cl)c1[O-] ZINC000456216694 560511793 /nfs/dbraw/zinc/51/17/93/560511793.db2.gz OQXLZHHZLUFRGI-BETUJISGSA-N -1 1 354.834 2.037 20 0 FEADMM CC[C@H](C)N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)CC)CC1 ZINC000456527000 560523392 /nfs/dbraw/zinc/52/33/92/560523392.db2.gz BWWCVCFVOINEBG-AWEZNQCLSA-N -1 1 353.488 2.005 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@]2(C)CCCCO2)c1 ZINC000457710205 560583097 /nfs/dbraw/zinc/58/30/97/560583097.db2.gz NXIKJJOERORFMK-KRWDZBQOSA-N -1 1 370.471 2.320 20 0 FEADMM CCC[C@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000459124510 560668162 /nfs/dbraw/zinc/66/81/62/560668162.db2.gz PYYYLDQPRVBDNO-UONOGXRCSA-N -1 1 366.535 2.558 20 0 FEADMM CSc1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1 ZINC000460421151 560743561 /nfs/dbraw/zinc/74/35/61/560743561.db2.gz HOCBBHVWMXNBKT-UHFFFAOYSA-N -1 1 361.452 2.400 20 0 FEADMM CCCOc1cccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000460457099 560743856 /nfs/dbraw/zinc/74/38/56/560743856.db2.gz IANCXXHDCBHAKQ-UHFFFAOYSA-N -1 1 373.438 2.467 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(C)[nH]c3ccccc32)c1 ZINC000461444811 560771679 /nfs/dbraw/zinc/77/16/79/560771679.db2.gz BGBMLYZXCQFMPX-UHFFFAOYSA-N -1 1 373.434 2.271 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2OC(C)C)c1 ZINC000461456549 560772308 /nfs/dbraw/zinc/77/23/08/560772308.db2.gz LFYDAHFHSGPAFL-UHFFFAOYSA-N -1 1 364.423 2.340 20 0 FEADMM Cc1noc(C)c1COc1cccc(C(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000461636163 560778422 /nfs/dbraw/zinc/77/84/22/560778422.db2.gz IITAMDRGOYXGQV-UHFFFAOYSA-N -1 1 356.386 2.049 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000462259476 560803375 /nfs/dbraw/zinc/80/33/75/560803375.db2.gz NHKCSHXCDJHDLG-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CN1c1ccccc1F ZINC000462285744 560804388 /nfs/dbraw/zinc/80/43/88/560804388.db2.gz AXWJQMRBRXOIFM-NSHDSACASA-N -1 1 370.352 2.188 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2nnc(CCC(=O)OC)s2)s1 ZINC000463670686 560820684 /nfs/dbraw/zinc/82/06/84/560820684.db2.gz SFUOGEPSUVVVBI-MRVPVSSYSA-N -1 1 370.456 2.450 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCSCC1 ZINC000464224023 560836445 /nfs/dbraw/zinc/83/64/45/560836445.db2.gz QQVWIQOTSHJNQS-UHFFFAOYSA-N -1 1 367.851 2.196 20 0 FEADMM CN(C(=O)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)C1CCCCC1 ZINC000465507162 560866912 /nfs/dbraw/zinc/86/69/12/560866912.db2.gz XYCHDKORCDSJBP-UHFFFAOYSA-N -1 1 364.389 2.173 20 0 FEADMM COc1cc(NC(=O)N(C)CC[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000466588601 560890679 /nfs/dbraw/zinc/89/06/79/560890679.db2.gz WEWHTIKLCMXOEZ-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM COc1ccc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c2ccccc12 ZINC000467878122 560919162 /nfs/dbraw/zinc/91/91/62/560919162.db2.gz WZJVXOJPWFZIKV-UHFFFAOYSA-N -1 1 369.450 2.245 20 0 FEADMM C[C@H]1[C@H](CO)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000468044474 560921612 /nfs/dbraw/zinc/92/16/12/560921612.db2.gz IKSLDBWTYLABAP-HOCLYGCPSA-N -1 1 374.462 2.330 20 0 FEADMM N=c1nc(N2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)s[n-]1 ZINC000468955983 560943252 /nfs/dbraw/zinc/94/32/52/560943252.db2.gz LHSRVGKUQJMBPL-UHFFFAOYSA-N -1 1 360.418 2.237 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(C)c(C)c1 ZINC000469240368 560950844 /nfs/dbraw/zinc/95/08/44/560950844.db2.gz WVLHNGUHXNWZEB-HZPDHXFCSA-N -1 1 355.456 2.006 20 0 FEADMM CCCn1c(C)c(C(=O)NC2(c3nn[n-]n3)CC2)c2cc(OC)ccc21 ZINC000470972728 560995471 /nfs/dbraw/zinc/99/54/71/560995471.db2.gz ACUXXGRGJLHFAD-UHFFFAOYSA-N -1 1 354.414 2.301 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000470986664 560995871 /nfs/dbraw/zinc/99/58/71/560995871.db2.gz XBIMGYIXNHGWTP-UHFFFAOYSA-N -1 1 364.196 2.111 20 0 FEADMM CC[C@H](Cc1cccc(Br)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470988148 560995978 /nfs/dbraw/zinc/99/59/78/560995978.db2.gz CMTPYJWLAXZGGI-LLVKDONJSA-N -1 1 364.247 2.336 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)c1 ZINC000471138035 560998946 /nfs/dbraw/zinc/99/89/46/560998946.db2.gz ZEUBZANXYGUTAB-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)ccc1F ZINC000471601985 561008344 /nfs/dbraw/zinc/00/83/44/561008344.db2.gz AKMRPLWEYXBAHJ-UHFFFAOYSA-N -1 1 365.386 2.165 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000473193276 561044010 /nfs/dbraw/zinc/04/40/10/561044010.db2.gz DTBMRUAJFZCZFN-NSHDSACASA-N -1 1 366.377 2.449 20 0 FEADMM CO[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOC1 ZINC000473949801 561061762 /nfs/dbraw/zinc/06/17/62/561061762.db2.gz NVRJFJBZEYTBNE-LBPRGKRZSA-N -1 1 358.218 2.216 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1NC(N)=O ZINC000474303900 561070702 /nfs/dbraw/zinc/07/07/02/561070702.db2.gz BBMHEPNFLUXPCQ-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM Cc1ccc(OCCC(=O)NC(C)(C)c2nn[n-]n2)c(Br)c1 ZINC000475006741 561087570 /nfs/dbraw/zinc/08/75/70/561087570.db2.gz GOYLJEOLSSSGTP-UHFFFAOYSA-N -1 1 368.235 2.091 20 0 FEADMM COc1ccc(NC(=O)N(C)C[C@@H]2CCCCO2)cc1[N-]S(C)(=O)=O ZINC000475373041 561095840 /nfs/dbraw/zinc/09/58/40/561095840.db2.gz WKRRZTGYCOPGQR-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2(SC)CC2)c1 ZINC000476125335 561111659 /nfs/dbraw/zinc/11/16/59/561111659.db2.gz ACVUBXDBYPXCNT-UHFFFAOYSA-N -1 1 358.485 2.257 20 0 FEADMM CCC[C@H](CC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476905943 561131569 /nfs/dbraw/zinc/13/15/69/561131569.db2.gz QAIUXENMANDIEZ-JTQLQIEISA-N -1 1 352.453 2.054 20 0 FEADMM COc1cc(OC)cc(OCC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000477129677 561137411 /nfs/dbraw/zinc/13/74/11/561137411.db2.gz XIERTSDCJCTMMR-UHFFFAOYSA-N -1 1 373.377 2.339 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)nc2)[n-]c(=O)c1C ZINC000528222743 562319147 /nfs/dbraw/zinc/31/91/47/562319147.db2.gz UPYXLCMDDPGWLK-OKXMYEFYSA-N -1 1 358.467 2.351 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(Nc2nccc(C)n2)c1)c1nn[n-]n1 ZINC000528798066 562348557 /nfs/dbraw/zinc/34/85/57/562348557.db2.gz JJXKPWWRBVOEIH-CQSZACIVSA-N -1 1 352.402 2.313 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C3CCOCC3)c2)co1 ZINC000529935695 562392118 /nfs/dbraw/zinc/39/21/18/562392118.db2.gz BGVVBUBUYSHNRJ-UHFFFAOYSA-N -1 1 364.423 2.334 20 0 FEADMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(C)n1[C@H]1CCOC1 ZINC000530261704 562404600 /nfs/dbraw/zinc/40/46/00/562404600.db2.gz DZYQIQVKABYDFW-RDJZCZTQSA-N -1 1 366.425 2.099 20 0 FEADMM CCOc1cccc(CCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000530261869 562404626 /nfs/dbraw/zinc/40/46/26/562404626.db2.gz HECXJSVXDPYMMW-SFHVURJKSA-N -1 1 351.410 2.437 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@H](C(=O)C4CC4)C3)nc2)[n-]c(=O)c1C ZINC000530530549 562414782 /nfs/dbraw/zinc/41/47/82/562414782.db2.gz WPBJGHJHWSXGGB-HNNXBMFYSA-N -1 1 354.410 2.045 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cnn(C(C)C)c2)o1 ZINC000531117997 562435143 /nfs/dbraw/zinc/43/51/43/562435143.db2.gz UMAKNKFIARRCGF-LLVKDONJSA-N -1 1 355.416 2.273 20 0 FEADMM O=C(CSc1nnc2c(=O)[nH]c3ccccc3n12)c1ccc([O-])cc1 ZINC000531170375 562437138 /nfs/dbraw/zinc/43/71/38/562437138.db2.gz OGSGOUGHXXZNLF-UHFFFAOYSA-N -1 1 352.375 2.251 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000531756081 562455678 /nfs/dbraw/zinc/45/56/78/562455678.db2.gz ZVQXUYFQEIVRQH-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](OCc4ccccn4)C3)cnc2n1 ZINC000531879714 562459707 /nfs/dbraw/zinc/45/97/07/562459707.db2.gz UKSLPVSCIRCVGF-HNNXBMFYSA-N -1 1 364.405 2.470 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](OCc3ccccn3)C1)c2=O ZINC000531879714 562459708 /nfs/dbraw/zinc/45/97/08/562459708.db2.gz UKSLPVSCIRCVGF-HNNXBMFYSA-N -1 1 364.405 2.470 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])o1 ZINC000532279399 562472689 /nfs/dbraw/zinc/47/26/89/562472689.db2.gz JZBFAKGQZLYMHG-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)n1 ZINC000532368094 562475334 /nfs/dbraw/zinc/47/53/34/562475334.db2.gz UUCMSHHBBZVOAN-UHFFFAOYSA-N -1 1 361.423 2.429 20 0 FEADMM C/C=C\c1ccc(OCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(OC)c1 ZINC000533113652 562499000 /nfs/dbraw/zinc/49/90/00/562499000.db2.gz TVEWKAFSOOOQML-MFBWXBCUSA-N -1 1 357.414 2.026 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cncc([O-])c1 ZINC000533191471 562500947 /nfs/dbraw/zinc/50/09/47/562500947.db2.gz RVACPCLPHLLSCK-LBPRGKRZSA-N -1 1 354.328 2.387 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)co1 ZINC000533689880 562516116 /nfs/dbraw/zinc/51/61/16/562516116.db2.gz OCJKAORIBYFQIV-SECBINFHSA-N -1 1 358.366 2.299 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])n1cccc1 ZINC000536435096 562575494 /nfs/dbraw/zinc/57/54/94/562575494.db2.gz VDZUWWJDOORDCS-LBPRGKRZSA-N -1 1 363.439 2.224 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000540728176 562592126 /nfs/dbraw/zinc/59/21/26/562592126.db2.gz QQLDSTTWJGOPQR-WDEREUQCSA-N -1 1 365.373 2.497 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000540804596 562593367 /nfs/dbraw/zinc/59/33/67/562593367.db2.gz VANNCBMXWIZQRY-RQOWECAXSA-N -1 1 350.371 2.221 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2csc3ccccc23)c1 ZINC000540803838 562593447 /nfs/dbraw/zinc/59/34/47/562593447.db2.gz AQHSZPQETQGJPJ-UHFFFAOYSA-N -1 1 362.432 2.436 20 0 FEADMM Cc1cccc(OCCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000540804093 562593468 /nfs/dbraw/zinc/59/34/68/562593468.db2.gz UXUWFWHLNJWUSR-UHFFFAOYSA-N -1 1 364.423 2.146 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCCF)c1ccc(Cl)cc1Cl ZINC000541309125 562608564 /nfs/dbraw/zinc/60/85/64/562608564.db2.gz WMPZXQRSOOCMJR-NSHDSACASA-N -1 1 358.218 2.487 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000545471628 562627649 /nfs/dbraw/zinc/62/76/49/562627649.db2.gz JWJJQAQZXKALBF-UHFFFAOYSA-N -1 1 366.361 2.417 20 0 FEADMM Cc1cc(-c2csc(NC(=O)c3cc(=O)n4[n-]cnc4n3)n2)ccc1F ZINC000546147050 562634282 /nfs/dbraw/zinc/63/42/82/562634282.db2.gz KZURDKYNORPUEG-UHFFFAOYSA-N -1 1 370.369 2.241 20 0 FEADMM CN(C)Cc1ccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cn1 ZINC000549894875 562640942 /nfs/dbraw/zinc/64/09/42/562640942.db2.gz DZYYKCNIQBSRLU-UHFFFAOYSA-N -1 1 357.364 3.064 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Cc2ccc(OC)cc2)o1 ZINC000555979463 674384310 /nfs/dbraw/zinc/38/43/10/674384310.db2.gz UXCNIWHTWVEGER-LBPRGKRZSA-N -1 1 367.423 2.232 20 0 FEADMM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000601739000 567822268 /nfs/dbraw/zinc/82/22/68/567822268.db2.gz JALZJEFVLUZFGN-BMIGLBTASA-N -1 1 361.316 2.204 20 0 FEADMM COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000601779915 567839491 /nfs/dbraw/zinc/83/94/91/567839491.db2.gz YHLKSMVVSPKAMM-GOSISDBHSA-N -1 1 353.390 2.352 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cn1 ZINC000601814010 567846547 /nfs/dbraw/zinc/84/65/47/567846547.db2.gz FAPCGKPISRDXJR-QGZVFWFLSA-N -1 1 359.393 2.213 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)CCOCC2CCC2)c(F)cc1F ZINC000601976297 567894003 /nfs/dbraw/zinc/89/40/03/567894003.db2.gz OMXSTLAZKKWHMS-UHFFFAOYSA-N -1 1 363.382 2.310 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCCc2ccc(Cl)cc2)n[n-]1 ZINC000603020113 568052335 /nfs/dbraw/zinc/05/23/35/568052335.db2.gz WYFXXXSBZWWVSW-UHFFFAOYSA-N -1 1 350.806 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCCc2ccc(Cl)cc2)n1 ZINC000603020113 568052336 /nfs/dbraw/zinc/05/23/36/568052336.db2.gz WYFXXXSBZWWVSW-UHFFFAOYSA-N -1 1 350.806 2.274 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2sc(C)cc2Br)n[n-]1 ZINC000603020633 568052340 /nfs/dbraw/zinc/05/23/40/568052340.db2.gz HVVKEWUPHDLJAB-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2sc(C)cc2Br)n1 ZINC000603020633 568052341 /nfs/dbraw/zinc/05/23/41/568052341.db2.gz HVVKEWUPHDLJAB-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc(Br)cs2)n[n-]1 ZINC000603164827 568069932 /nfs/dbraw/zinc/06/99/32/568069932.db2.gz KXOMGMCDYLFIBT-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cc(Br)cs2)[n-]1 ZINC000603164827 568069933 /nfs/dbraw/zinc/06/99/33/568069933.db2.gz KXOMGMCDYLFIBT-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cc(Br)cs2)n1 ZINC000603164827 568069934 /nfs/dbraw/zinc/06/99/34/568069934.db2.gz KXOMGMCDYLFIBT-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)CCc2ccccc21 ZINC000603285746 568082888 /nfs/dbraw/zinc/08/28/88/568082888.db2.gz IGBRMVSGHWBCFU-HZPDHXFCSA-N -1 1 373.421 2.356 20 0 FEADMM CN(Cc1nnc2ccccn21)C(=O)c1ccc(Br)cc1[O-] ZINC000603546951 568118053 /nfs/dbraw/zinc/11/80/53/568118053.db2.gz INTDTAJLTFUGRE-UHFFFAOYSA-N -1 1 361.199 2.470 20 0 FEADMM O=S(=O)([N-]c1ccccc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000738341659 598842104 /nfs/dbraw/zinc/84/21/04/598842104.db2.gz IRKAVFJUSNPYIC-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC2C[C@H](C)C[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000737188029 598892254 /nfs/dbraw/zinc/89/22/54/598892254.db2.gz WFYZDVCJEXQLFV-RKDXNWHRSA-N -1 1 362.459 2.244 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000736135569 598940590 /nfs/dbraw/zinc/94/05/90/598940590.db2.gz BLQSHIJNURZGOD-JGVFFNPUSA-N -1 1 355.855 2.178 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000736135569 598940592 /nfs/dbraw/zinc/94/05/92/598940592.db2.gz BLQSHIJNURZGOD-JGVFFNPUSA-N -1 1 355.855 2.178 20 0 FEADMM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738212612 598982444 /nfs/dbraw/zinc/98/24/44/598982444.db2.gz RZSCORJBLUMZBS-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738212612 598982446 /nfs/dbraw/zinc/98/24/46/598982446.db2.gz RZSCORJBLUMZBS-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM COc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737075313 598985208 /nfs/dbraw/zinc/98/52/08/598985208.db2.gz MDOZFFZADIUVIK-MRXNPFEDSA-N -1 1 350.382 2.151 20 0 FEADMM COc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737075313 598985209 /nfs/dbraw/zinc/98/52/09/598985209.db2.gz MDOZFFZADIUVIK-MRXNPFEDSA-N -1 1 350.382 2.151 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738257816 598988302 /nfs/dbraw/zinc/98/83/02/598988302.db2.gz DRMGVXFSQQGJDB-UHFFFAOYSA-N -1 1 356.336 2.345 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738257816 598988303 /nfs/dbraw/zinc/98/83/03/598988303.db2.gz DRMGVXFSQQGJDB-UHFFFAOYSA-N -1 1 356.336 2.345 20 0 FEADMM CCCOCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736489046 598994285 /nfs/dbraw/zinc/99/42/85/598994285.db2.gz SWTKBZZDRONXPT-UHFFFAOYSA-N -1 1 352.398 2.118 20 0 FEADMM CCCOCc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736489046 598994287 /nfs/dbraw/zinc/99/42/87/598994287.db2.gz SWTKBZZDRONXPT-UHFFFAOYSA-N -1 1 352.398 2.118 20 0 FEADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736827947 599019584 /nfs/dbraw/zinc/01/95/84/599019584.db2.gz DKLVHDFGGWFIFQ-UHFFFAOYSA-N -1 1 363.425 2.134 20 0 FEADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736827947 599019586 /nfs/dbraw/zinc/01/95/86/599019586.db2.gz DKLVHDFGGWFIFQ-UHFFFAOYSA-N -1 1 363.425 2.134 20 0 FEADMM C[C@@H](OCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736162099 599019829 /nfs/dbraw/zinc/01/98/29/599019829.db2.gz AILBVXMWJYEYIL-CYBMUJFWSA-N -1 1 352.398 2.159 20 0 FEADMM C[C@@H](OCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736162099 599019830 /nfs/dbraw/zinc/01/98/30/599019830.db2.gz AILBVXMWJYEYIL-CYBMUJFWSA-N -1 1 352.398 2.159 20 0 FEADMM Cc1ccc(C)n1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737332896 599027114 /nfs/dbraw/zinc/02/71/14/599027114.db2.gz XNGPWUVZXUPUHQ-UHFFFAOYSA-N -1 1 351.414 2.157 20 0 FEADMM Cc1ccc(C)n1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737332896 599027116 /nfs/dbraw/zinc/02/71/16/599027116.db2.gz XNGPWUVZXUPUHQ-UHFFFAOYSA-N -1 1 351.414 2.157 20 0 FEADMM Cc1cccc(C2(O)CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1C ZINC000822299361 599048193 /nfs/dbraw/zinc/04/81/93/599048193.db2.gz GJICPANUCGZOSH-UHFFFAOYSA-N -1 1 350.426 2.367 20 0 FEADMM Cc1cccc(C2(O)CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1C ZINC000822299361 599048195 /nfs/dbraw/zinc/04/81/95/599048195.db2.gz GJICPANUCGZOSH-UHFFFAOYSA-N -1 1 350.426 2.367 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000736613785 599097172 /nfs/dbraw/zinc/09/71/72/599097172.db2.gz FVFOOQPJQOSDNQ-JKSUJKDBSA-N -1 1 370.457 2.462 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000736613785 599097175 /nfs/dbraw/zinc/09/71/75/599097175.db2.gz FVFOOQPJQOSDNQ-JKSUJKDBSA-N -1 1 370.457 2.462 20 0 FEADMM CC(C)c1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735928184 599140386 /nfs/dbraw/zinc/14/03/86/599140386.db2.gz HTWDCTLNLMJVAO-UHFFFAOYSA-N -1 1 366.381 2.181 20 0 FEADMM CC(C)c1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735928184 599140388 /nfs/dbraw/zinc/14/03/88/599140388.db2.gz HTWDCTLNLMJVAO-UHFFFAOYSA-N -1 1 366.381 2.181 20 0 FEADMM O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823246140 599222690 /nfs/dbraw/zinc/22/26/90/599222690.db2.gz DFAUKZIEVQCVMG-UHFFFAOYSA-N -1 1 357.377 2.254 20 0 FEADMM O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823246140 599222692 /nfs/dbraw/zinc/22/26/92/599222692.db2.gz DFAUKZIEVQCVMG-UHFFFAOYSA-N -1 1 357.377 2.254 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000737200932 599224152 /nfs/dbraw/zinc/22/41/52/599224152.db2.gz OKNFDMKKOGLUHZ-UKRRQHHQSA-N -1 1 370.457 2.308 20 0 FEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676233452 597069820 /nfs/dbraw/zinc/06/98/20/597069820.db2.gz PRCMJSGKGXPZTJ-HUUCEWRRSA-N -1 1 373.453 2.327 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000737548962 599240710 /nfs/dbraw/zinc/24/07/10/599240710.db2.gz RYCUSSMXOJVTFG-LBPRGKRZSA-N -1 1 372.429 2.086 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000737548962 599240711 /nfs/dbraw/zinc/24/07/11/599240711.db2.gz RYCUSSMXOJVTFG-LBPRGKRZSA-N -1 1 372.429 2.086 20 0 FEADMM O=C([O-])Cc1cccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000738623446 597201529 /nfs/dbraw/zinc/20/15/29/597201529.db2.gz GGBLSJUJQCUGEX-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM Oc1ccccc1N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000738401425 599254513 /nfs/dbraw/zinc/25/45/13/599254513.db2.gz SFKBGBWRNQXCRB-UHFFFAOYSA-N -1 1 373.420 2.447 20 0 FEADMM Oc1ccccc1N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000738401425 599254514 /nfs/dbraw/zinc/25/45/14/599254514.db2.gz SFKBGBWRNQXCRB-UHFFFAOYSA-N -1 1 373.420 2.447 20 0 FEADMM COC(=O)CCN(Cc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821661447 607305517 /nfs/dbraw/zinc/30/55/17/607305517.db2.gz JSHDJYSYSSZJNP-UHFFFAOYSA-N -1 1 372.816 2.485 20 0 FEADMM COC(=O)CCN(Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821661447 607305518 /nfs/dbraw/zinc/30/55/18/607305518.db2.gz JSHDJYSYSSZJNP-UHFFFAOYSA-N -1 1 372.816 2.485 20 0 FEADMM C[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807706051 674424730 /nfs/dbraw/zinc/42/47/30/674424730.db2.gz FNPWXFLDSPMBCO-MNXVOIDGSA-N -1 1 350.381 2.107 20 0 FEADMM CC[C@@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807706522 674424920 /nfs/dbraw/zinc/42/49/20/674424920.db2.gz WUIAETYUDPLTFB-QNSTZXKLSA-N -1 1 364.408 2.496 20 0 FEADMM O=C(Oc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000823445468 607320794 /nfs/dbraw/zinc/32/07/94/607320794.db2.gz XCFVDFCIBLFQOB-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Oc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000823445468 607320795 /nfs/dbraw/zinc/32/07/95/607320795.db2.gz XCFVDFCIBLFQOB-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM CC(C)c1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735923069 598259975 /nfs/dbraw/zinc/25/99/75/598259975.db2.gz JXRKNPLOTKMCHI-LBPRGKRZSA-N -1 1 372.454 2.425 20 0 FEADMM CC(C)c1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735923069 598259977 /nfs/dbraw/zinc/25/99/77/598259977.db2.gz JXRKNPLOTKMCHI-LBPRGKRZSA-N -1 1 372.454 2.425 20 0 FEADMM O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000807790905 674429582 /nfs/dbraw/zinc/42/95/82/674429582.db2.gz XLLPJFVOFVENFF-CQSZACIVSA-N -1 1 353.296 2.444 20 0 FEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237025 598264694 /nfs/dbraw/zinc/26/46/94/598264694.db2.gz NRFQNPVLSDJDDP-KYOSRNDESA-N -1 1 364.475 2.001 20 0 FEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237025 598264695 /nfs/dbraw/zinc/26/46/95/598264695.db2.gz NRFQNPVLSDJDDP-KYOSRNDESA-N -1 1 364.475 2.001 20 0 FEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237027 598265234 /nfs/dbraw/zinc/26/52/34/598265234.db2.gz NRFQNPVLSDJDDP-UXIGCNINSA-N -1 1 364.475 2.001 20 0 FEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237027 598265236 /nfs/dbraw/zinc/26/52/36/598265236.db2.gz NRFQNPVLSDJDDP-UXIGCNINSA-N -1 1 364.475 2.001 20 0 FEADMM Clc1cccc(OCCNc2nccnc2-c2nnn[n-]2)c1Cl ZINC000737575311 598348458 /nfs/dbraw/zinc/34/84/58/598348458.db2.gz QRUCMWIBJGNZDJ-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM Clc1cccc(OCCNc2nccnc2-c2nn[n-]n2)c1Cl ZINC000737575311 598348459 /nfs/dbraw/zinc/34/84/59/598348459.db2.gz QRUCMWIBJGNZDJ-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM CC(C)OCCOCc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000735904612 598349210 /nfs/dbraw/zinc/34/92/10/598349210.db2.gz SJCAOBFZNWOGGX-UHFFFAOYSA-N -1 1 355.402 2.342 20 0 FEADMM CC(C)OCCOCc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000735904612 598349212 /nfs/dbraw/zinc/34/92/12/598349212.db2.gz SJCAOBFZNWOGGX-UHFFFAOYSA-N -1 1 355.402 2.342 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000736949322 598387600 /nfs/dbraw/zinc/38/76/00/598387600.db2.gz STBJTDCGNRVUIG-UHFFFAOYSA-N -1 1 362.802 2.283 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000736949322 598387602 /nfs/dbraw/zinc/38/76/02/598387602.db2.gz STBJTDCGNRVUIG-UHFFFAOYSA-N -1 1 362.802 2.283 20 0 FEADMM Fc1ccc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737649186 598458145 /nfs/dbraw/zinc/45/81/45/598458145.db2.gz LJUXECBKJBMCJV-GFCCVEGCSA-N -1 1 361.768 2.027 20 0 FEADMM Fc1ccc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737649186 598458147 /nfs/dbraw/zinc/45/81/47/598458147.db2.gz LJUXECBKJBMCJV-GFCCVEGCSA-N -1 1 361.768 2.027 20 0 FEADMM Cc1csc([C@@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCO2)n1 ZINC000737455816 598578995 /nfs/dbraw/zinc/57/89/95/598578995.db2.gz XTKKXIDLMBOTRL-JTQLQIEISA-N -1 1 363.834 2.258 20 0 FEADMM Cc1csc([C@@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCO2)n1 ZINC000737455816 598578996 /nfs/dbraw/zinc/57/89/96/598578996.db2.gz XTKKXIDLMBOTRL-JTQLQIEISA-N -1 1 363.834 2.258 20 0 FEADMM CN1N=C(C(=O)Nc2c([O-])cc(Br)cc2Cl)CCC1=O ZINC000808113371 674441811 /nfs/dbraw/zinc/44/18/11/674441811.db2.gz GDWYTLRKFLEIDT-UHFFFAOYSA-N -1 1 360.595 2.355 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CC1 ZINC000738353881 598689382 /nfs/dbraw/zinc/68/93/82/598689382.db2.gz IBELVTSIFUNZFI-UHFFFAOYSA-N -1 1 373.413 2.359 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000808088372 674440754 /nfs/dbraw/zinc/44/07/54/674440754.db2.gz FJYNDTLGVOZQTA-UHFFFAOYSA-N -1 1 371.846 2.467 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)ccc1F ZINC000808127393 674443115 /nfs/dbraw/zinc/44/31/15/674443115.db2.gz YPKSVLWHFRNMQG-UHFFFAOYSA-N -1 1 364.354 2.255 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823601227 599359228 /nfs/dbraw/zinc/35/92/28/599359228.db2.gz WZUWROPLBYGYNH-GXFFZTMASA-N -1 1 367.862 2.473 20 0 FEADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820859548 599379367 /nfs/dbraw/zinc/37/93/67/599379367.db2.gz FQWFYQSGXGRZNC-BBATYDOGSA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820859548 599379370 /nfs/dbraw/zinc/37/93/70/599379370.db2.gz FQWFYQSGXGRZNC-BBATYDOGSA-N -1 1 372.429 2.086 20 0 FEADMM COc1cccc(N2CCC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000737138366 599440297 /nfs/dbraw/zinc/44/02/97/599440297.db2.gz GWDLAOQXBLRMBT-ZDUSSCGKSA-N -1 1 351.414 2.351 20 0 FEADMM COc1cccc(N2CCC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000737138366 599440299 /nfs/dbraw/zinc/44/02/99/599440299.db2.gz GWDLAOQXBLRMBT-ZDUSSCGKSA-N -1 1 351.414 2.351 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000737188717 599573039 /nfs/dbraw/zinc/57/30/39/599573039.db2.gz DSQYITGALQDLSB-GWCFXTLKSA-N -1 1 356.455 2.486 20 0 FEADMM CCCN(CC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736472358 599593787 /nfs/dbraw/zinc/59/37/87/599593787.db2.gz UEXSEBNPRDALHP-UHFFFAOYSA-N -1 1 363.365 2.306 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CC2CC2)c2ccccc21 ZINC000823477723 599656254 /nfs/dbraw/zinc/65/62/54/599656254.db2.gz ACWNDVCVCANFHJ-UHFFFAOYSA-N -1 1 361.409 2.139 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CC2CC2)c2ccccc21 ZINC000823477723 599656255 /nfs/dbraw/zinc/65/62/55/599656255.db2.gz ACWNDVCVCANFHJ-UHFFFAOYSA-N -1 1 361.409 2.139 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)CCCN(C)C(=O)[O-])N1CCCC1 ZINC000738121399 599725388 /nfs/dbraw/zinc/72/53/88/599725388.db2.gz QXJLEKLSSFEESA-INIZCTEOSA-N -1 1 363.458 2.338 20 0 FEADMM CN(CCCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000737424497 599736160 /nfs/dbraw/zinc/73/61/60/599736160.db2.gz YSQNAGNCVDHQNK-UHFFFAOYSA-N -1 1 351.422 2.296 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)C(C)(C)NC(=O)[O-])N1CCCCC1 ZINC000738122326 599737053 /nfs/dbraw/zinc/73/70/53/599737053.db2.gz YZTNSMDPRBCPLQ-HNNXBMFYSA-N -1 1 363.458 2.385 20 0 FEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736776218 599780139 /nfs/dbraw/zinc/78/01/39/599780139.db2.gz USLUVLIZYHDAJS-TXEJJXNPSA-N -1 1 358.435 2.065 20 0 FEADMM O=C([O-])[C@@H](NCc1cnc2ccnn2c1)c1ccc(Br)cc1 ZINC000739506239 599792775 /nfs/dbraw/zinc/79/27/75/599792775.db2.gz WKZVTMXGOIDPFA-AWEZNQCLSA-N -1 1 361.199 2.407 20 0 FEADMM COc1ccc([C@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)N2CCCC2)cc1 ZINC000737958067 599808094 /nfs/dbraw/zinc/80/80/94/599808094.db2.gz WLFRIRAPQPZWQK-DLBZAZTESA-N -1 1 363.458 2.241 20 0 FEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000736379169 599821865 /nfs/dbraw/zinc/82/18/65/599821865.db2.gz ZOCVIFYGWPJZSE-OAHLLOKOSA-N -1 1 351.472 2.466 20 0 FEADMM O=C([O-])CCc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000739767793 599854087 /nfs/dbraw/zinc/85/40/87/599854087.db2.gz ZFFSCMBKTCXHAW-UHFFFAOYSA-N -1 1 363.391 2.276 20 0 FEADMM Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)CCC(=O)[O-])c1 ZINC000738736411 599874960 /nfs/dbraw/zinc/87/49/60/599874960.db2.gz LDQFFPHNLIHGHI-UHFFFAOYSA-N -1 1 362.407 2.464 20 0 FEADMM O=C([O-])c1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000739248512 599960293 /nfs/dbraw/zinc/96/02/93/599960293.db2.gz GKHAZBCVHKKIHL-UHFFFAOYSA-N -1 1 352.350 2.020 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(C)(C)C ZINC000737683726 599994908 /nfs/dbraw/zinc/99/49/08/599994908.db2.gz RTAPZZVUSRGUMA-LLVKDONJSA-N -1 1 350.415 2.476 20 0 FEADMM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000739624743 600032333 /nfs/dbraw/zinc/03/23/33/600032333.db2.gz KTVCXRCWODAPBU-MRXNPFEDSA-N -1 1 369.808 2.359 20 0 FEADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000739624743 600032336 /nfs/dbraw/zinc/03/23/36/600032336.db2.gz KTVCXRCWODAPBU-MRXNPFEDSA-N -1 1 369.808 2.359 20 0 FEADMM COc1cc(C)c(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1OC ZINC000737868838 600054436 /nfs/dbraw/zinc/05/44/36/600054436.db2.gz SSDAUDCNPCRSID-UHFFFAOYSA-N -1 1 372.424 2.276 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737712838 600091820 /nfs/dbraw/zinc/09/18/20/600091820.db2.gz OJKDQIYFBIJBEV-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)nc1 ZINC000037300670 600101885 /nfs/dbraw/zinc/10/18/85/600101885.db2.gz KCQCXXNZKXDLBI-UHFFFAOYSA-N -1 1 371.212 2.652 20 0 FEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000737358308 600102718 /nfs/dbraw/zinc/10/27/18/600102718.db2.gz LLBMIENVJNSOHT-PKOBYXMFSA-N -1 1 372.440 2.358 20 0 FEADMM C[C@H]1CN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CCS1 ZINC000736812264 600103124 /nfs/dbraw/zinc/10/31/24/600103124.db2.gz VFVVYIOAUYQCQH-BLLLJJGKSA-N -1 1 361.467 2.159 20 0 FEADMM O=C([O-])c1cc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000738672223 600181516 /nfs/dbraw/zinc/18/15/16/600181516.db2.gz OGIPFMHLYXSDCN-CABCVRRESA-N -1 1 367.833 2.101 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738873220 600199983 /nfs/dbraw/zinc/19/99/83/600199983.db2.gz QPCGLJSPNFYNEU-UHFFFAOYSA-N -1 1 358.329 2.070 20 0 FEADMM CCOCCN1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C[C@@H]1CC ZINC000737176450 600257969 /nfs/dbraw/zinc/25/79/69/600257969.db2.gz MJHWLWMACCVTLO-SFHVURJKSA-N -1 1 362.470 2.277 20 0 FEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736618355 600290886 /nfs/dbraw/zinc/29/08/86/600290886.db2.gz OIUFJLWWOAYSQU-TZMCWYRMSA-N -1 1 366.408 2.199 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000737403045 600296825 /nfs/dbraw/zinc/29/68/25/600296825.db2.gz QYVKWFOEZXCZIE-HNNXBMFYSA-N -1 1 372.425 2.197 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC000736413779 600312379 /nfs/dbraw/zinc/31/23/79/600312379.db2.gz UYGNHWQMZCCLPK-KRWDZBQOSA-N -1 1 372.469 2.358 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCc2cc(Br)c(Cl)cc21 ZINC000632714464 677011769 /nfs/dbraw/zinc/01/17/69/677011769.db2.gz BECNXGFLQDLFIL-UHFFFAOYSA-N -1 1 356.611 2.138 20 0 FEADMM COC(=O)c1c(NC(=O)CN(CCC(=O)[O-])C(C)C)sc2c1CCC2 ZINC000737648098 600445308 /nfs/dbraw/zinc/44/53/08/600445308.db2.gz BKAPGCWNHIOHSZ-UHFFFAOYSA-N -1 1 368.455 2.147 20 0 FEADMM CN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1nc(CC(=O)[O-])cs1 ZINC000737314254 600494841 /nfs/dbraw/zinc/49/48/41/600494841.db2.gz PWAALMKTAXJGCI-AWEZNQCLSA-N -1 1 374.466 2.040 20 0 FEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000079701189 600513766 /nfs/dbraw/zinc/51/37/66/600513766.db2.gz DGIXHIYNSSVZCU-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM Cc1ccc([C@@H](C)NC(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1C ZINC000738553932 600514526 /nfs/dbraw/zinc/51/45/26/600514526.db2.gz XBRLDPICIIGYLO-AEFFLSMTSA-N -1 1 362.470 2.436 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O ZINC000736467646 600608515 /nfs/dbraw/zinc/60/85/15/600608515.db2.gz ABXJYNFNMCKVLE-KRWDZBQOSA-N -1 1 367.833 2.250 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000736749378 600608904 /nfs/dbraw/zinc/60/89/04/600608904.db2.gz JSMNYTWMKJWWMF-ACJLOTCBSA-N -1 1 353.463 2.266 20 0 FEADMM CN(C)Cc1cc(CNC(=O)Nc2nc(CC(=O)[O-])cs2)ccc1F ZINC000737367984 600642186 /nfs/dbraw/zinc/64/21/86/600642186.db2.gz HOPKMPZSZOEVPT-UHFFFAOYSA-N -1 1 366.418 2.293 20 0 FEADMM CNS(=O)(=O)[C@@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000737551783 600642580 /nfs/dbraw/zinc/64/25/80/600642580.db2.gz BCSXJENXGJVLGM-LLVKDONJSA-N -1 1 368.480 2.113 20 0 FEADMM O=C([O-])CCN(Cn1c(=O)oc2cc(Cl)ccc21)C1CCOCC1 ZINC000833236579 600721035 /nfs/dbraw/zinc/72/10/35/600721035.db2.gz RUZOKGYKJOXZSP-UHFFFAOYSA-N -1 1 354.790 2.161 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000832903416 600743062 /nfs/dbraw/zinc/74/30/62/600743062.db2.gz HZRBCQUQTQBFKZ-OKILXGFUSA-N -1 1 354.472 2.234 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000829120079 600782516 /nfs/dbraw/zinc/78/25/16/600782516.db2.gz ZNHBZYYHSGDCHX-AWEZNQCLSA-N -1 1 354.472 2.236 20 0 FEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(C(=O)[O-])c(C)c3)[nH]c2c1 ZINC000821103631 600862993 /nfs/dbraw/zinc/86/29/93/600862993.db2.gz KVNDWECNOAEQAF-UHFFFAOYSA-N -1 1 366.377 2.133 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)N[C@H](C(=O)[O-])c3cccs3)c2)CC1 ZINC000830954714 600916078 /nfs/dbraw/zinc/91/60/78/600916078.db2.gz GRWVGVNVVKCIKF-KRWDZBQOSA-N -1 1 373.478 2.051 20 0 FEADMM CCN(CC)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000389916023 600978111 /nfs/dbraw/zinc/97/81/11/600978111.db2.gz CYDQTLZGIGWSOF-UHFFFAOYSA-N -1 1 355.441 2.488 20 0 FEADMM CN(Cc1ccc(Cl)nc1)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000830825235 601006502 /nfs/dbraw/zinc/00/65/02/601006502.db2.gz JWZYBMZMTIYMGE-AWEZNQCLSA-N -1 1 350.802 2.305 20 0 FEADMM CC(C)[C@@H]1CN(C)CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000826741633 601011300 /nfs/dbraw/zinc/01/13/00/601011300.db2.gz JWPWSIAAFILQAU-ZDUSSCGKSA-N -1 1 365.499 2.146 20 0 FEADMM C[C@H](NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1)c1ccc(Br)cc1 ZINC000827637047 601037671 /nfs/dbraw/zinc/03/76/71/601037671.db2.gz QNETUZRJCMBLJX-MGPLVRAMSA-N -1 1 369.259 2.469 20 0 FEADMM O=C([O-])CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCOCC1 ZINC000833248887 601048276 /nfs/dbraw/zinc/04/82/76/601048276.db2.gz BBALYJZLXISMHF-UHFFFAOYSA-N -1 1 351.790 2.054 20 0 FEADMM COc1ccccc1C[C@H](C)CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221444 601096333 /nfs/dbraw/zinc/09/63/33/601096333.db2.gz ANABEPAEJKEOCK-HOTGVXAUSA-N -1 1 362.470 2.271 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1 ZINC000630223385 601099737 /nfs/dbraw/zinc/09/97/37/601099737.db2.gz JBPNEYQCVSTVMX-AWEZNQCLSA-N -1 1 362.474 2.089 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1 ZINC000630222214 601101949 /nfs/dbraw/zinc/10/19/49/601101949.db2.gz DXUWUQRELFZCBV-OAHLLOKOSA-N -1 1 362.470 2.370 20 0 FEADMM Cc1cc(OCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1Cl ZINC000630226748 601104688 /nfs/dbraw/zinc/10/46/88/601104688.db2.gz ZHUFVOXLAVROPD-ZDUSSCGKSA-N -1 1 354.834 2.035 20 0 FEADMM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)c1C(=O)[O-] ZINC000832843568 601118422 /nfs/dbraw/zinc/11/84/22/601118422.db2.gz XTCLNWOZNVGZHL-ZIAGYGMSSA-N -1 1 358.442 2.199 20 0 FEADMM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](Cc3cnn(C)c3)C2)c(C)c1C(=O)[O-] ZINC000832843566 601118628 /nfs/dbraw/zinc/11/86/28/601118628.db2.gz XTCLNWOZNVGZHL-KGLIPLIRSA-N -1 1 358.442 2.199 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000827374599 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368.503 2.429 20 0 FEADMM O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833116226 602056053 /nfs/dbraw/zinc/05/60/53/602056053.db2.gz ODNADSHFCBAGTP-IUCAKERBSA-N -1 1 361.514 2.459 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739608631 602061466 /nfs/dbraw/zinc/06/14/66/602061466.db2.gz QBYTVRIHOUAWJT-HOTGVXAUSA-N -1 1 366.437 2.212 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000558437029 674495773 /nfs/dbraw/zinc/49/57/73/674495773.db2.gz VUZRMIOTJMUGJY-SECBINFHSA-N -1 1 369.418 2.533 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)c1ccco1 ZINC000739407778 602143169 /nfs/dbraw/zinc/14/31/69/602143169.db2.gz LMBIYXZEMRUUCC-CABCVRRESA-N -1 1 366.462 2.446 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000739409435 602144667 /nfs/dbraw/zinc/14/46/67/602144667.db2.gz XVWDIXPRSCBYTK-HNNXBMFYSA-N -1 1 366.462 2.352 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825845416 607549151 /nfs/dbraw/zinc/54/91/51/607549151.db2.gz IIKTVSKJKMSERW-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825845416 607549152 /nfs/dbraw/zinc/54/91/52/607549152.db2.gz IIKTVSKJKMSERW-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC2(CCC2)C1 ZINC000831369973 602239940 /nfs/dbraw/zinc/23/99/40/602239940.db2.gz MOLUVGUAKYKBJY-LBPRGKRZSA-N -1 1 360.410 2.374 20 0 FEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC2(CCC2)C1 ZINC000833105066 602240501 /nfs/dbraw/zinc/24/05/01/602240501.db2.gz IAYJHLGGBYFDHG-QGZVFWFLSA-N -1 1 355.438 2.156 20 0 FEADMM O=C([O-])N1CCC(CN2CCN(C(=O)CC3CCCCC3)CC2)CC1 ZINC000740499516 602267961 /nfs/dbraw/zinc/26/79/61/602267961.db2.gz LZICMSOCLMLJQT-UHFFFAOYSA-N -1 1 351.491 2.491 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)ccc1Cl ZINC000761899549 602318852 /nfs/dbraw/zinc/31/88/52/602318852.db2.gz FDLASHZBHNMVTE-UHFFFAOYSA-N -1 1 352.759 2.110 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000739531462 602340053 /nfs/dbraw/zinc/34/00/53/602340053.db2.gz QQWGFDJQJGVDRK-DLBZAZTESA-N -1 1 363.458 2.385 20 0 FEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1CCC(C)C ZINC000826234526 607562840 /nfs/dbraw/zinc/56/28/40/607562840.db2.gz AQPBQINWCVSGBV-UHFFFAOYSA-N -1 1 355.402 2.376 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccsc1 ZINC000739647252 602415408 /nfs/dbraw/zinc/41/54/08/602415408.db2.gz AJMHZVVKJVGPQE-OAHLLOKOSA-N -1 1 368.503 2.382 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739962942 602447202 /nfs/dbraw/zinc/44/72/02/602447202.db2.gz WPOGFGWRZISSNU-KGLIPLIRSA-N -1 1 363.458 2.241 20 0 FEADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830815845 677062489 /nfs/dbraw/zinc/06/24/89/677062489.db2.gz GOLNVNJXOZNIDH-DOMZBBRYSA-N -1 1 352.397 2.497 20 0 FEADMM C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738635924 602530202 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ZINC000834287372 605424528 /nfs/dbraw/zinc/42/45/28/605424528.db2.gz KCLDFEWZPNVDHW-JKSUJKDBSA-N -1 1 369.425 2.466 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000825815321 605497277 /nfs/dbraw/zinc/49/72/77/605497277.db2.gz BUKWQBBSAUQVCU-KFWWJZLASA-N -1 1 364.446 2.247 20 0 FEADMM C[C@@H]1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc21 ZINC000824919144 607764017 /nfs/dbraw/zinc/76/40/17/607764017.db2.gz RXKRIEKKOBTMIV-YGRLFVJLSA-N -1 1 352.402 2.360 20 0 FEADMM C[C@@H]1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc21 ZINC000824919144 607764018 /nfs/dbraw/zinc/76/40/18/607764018.db2.gz RXKRIEKKOBTMIV-YGRLFVJLSA-N -1 1 352.402 2.360 20 0 FEADMM O=C([O-])N[C@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000834131288 605596913 /nfs/dbraw/zinc/59/69/13/605596913.db2.gz WUIVGVKPTXUTMM-CYBMUJFWSA-N -1 1 352.354 2.204 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)CC2)c1 ZINC000829650119 605678976 /nfs/dbraw/zinc/67/89/76/605678976.db2.gz OWXLIWFNKPPQGI-UHFFFAOYSA-N -1 1 370.409 2.451 20 0 FEADMM CCN(CC1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1)C(=O)[O-] ZINC000827066754 605697493 /nfs/dbraw/zinc/69/74/93/605697493.db2.gz UWOSIQUDNFMHBF-GFCCVEGCSA-N -1 1 351.451 2.071 20 0 FEADMM O=C([O-])N1CCO[C@H](CC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000833988700 605745839 /nfs/dbraw/zinc/74/58/39/605745839.db2.gz PLYBQOYQPOSONJ-SECBINFHSA-N -1 1 372.303 2.289 20 0 FEADMM O=C([O-])N1CCN(C(=O)c2nnc3ccccc3c2O)C2(CCCCC2)C1 ZINC000832031274 605748338 /nfs/dbraw/zinc/74/83/38/605748338.db2.gz KRTIOOPPYCDWPA-UHFFFAOYSA-N -1 1 370.409 2.474 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CCN1CCC(=O)[O-] ZINC000833623942 605766698 /nfs/dbraw/zinc/76/66/98/605766698.db2.gz SFVIPDXWAXGVHK-QAPCUYQASA-N -1 1 360.454 2.202 20 0 FEADMM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000833806246 605797679 /nfs/dbraw/zinc/79/76/79/605797679.db2.gz CYOFGJZXZGSPIU-SMDDNHRTSA-N -1 1 356.854 2.146 20 0 FEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000833831036 605890917 /nfs/dbraw/zinc/89/09/17/605890917.db2.gz MIAGWZMTEHRIEO-QWRGUYRKSA-N -1 1 359.879 2.338 20 0 FEADMM O=C([O-])N1CCC([C@H](NCC(=O)NCC2CC2)c2ccc(F)cc2)CC1 ZINC000834004471 605984146 /nfs/dbraw/zinc/98/41/46/605984146.db2.gz BUPBNPWGPQYAGO-GOSISDBHSA-N -1 1 363.433 2.373 20 0 FEADMM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3cccc(F)c3)cc2C1 ZINC000834195104 606080269 /nfs/dbraw/zinc/08/02/69/606080269.db2.gz WSRPPZOJSJOQQJ-GFCCVEGCSA-N -1 1 365.386 2.146 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2cccc(C)n2)c(-c2nn[n-]n2)c1C ZINC000822303597 606083051 /nfs/dbraw/zinc/08/30/51/606083051.db2.gz GCLINISYFRBKDP-LBPRGKRZSA-N -1 1 369.429 2.239 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000834245894 606094253 /nfs/dbraw/zinc/09/42/53/606094253.db2.gz HFUQWNWZOAHGBH-HNNXBMFYSA-N -1 1 369.425 2.470 20 0 FEADMM COc1ccc([C@H](CCO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821777568 606101816 /nfs/dbraw/zinc/10/18/16/606101816.db2.gz IHFDBHIQGBEPGU-ZDUSSCGKSA-N -1 1 360.805 2.459 20 0 FEADMM COc1ccc([C@H](CCO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821777568 606101819 /nfs/dbraw/zinc/10/18/19/606101819.db2.gz IHFDBHIQGBEPGU-ZDUSSCGKSA-N -1 1 360.805 2.459 20 0 FEADMM Cc1csc([C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C(F)(F)F)n1 ZINC000822409726 606128983 /nfs/dbraw/zinc/12/89/83/606128983.db2.gz USGDUZRQHPISGY-VIFPVBQESA-N -1 1 370.316 2.487 20 0 FEADMM Cc1csc([C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C(F)(F)F)n1 ZINC000822409726 606128984 /nfs/dbraw/zinc/12/89/84/606128984.db2.gz USGDUZRQHPISGY-VIFPVBQESA-N -1 1 370.316 2.487 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820561960 606156003 /nfs/dbraw/zinc/15/60/03/606156003.db2.gz CFYWANMHFFJIEY-MRVPVSSYSA-N -1 1 362.344 2.103 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820561960 606156004 /nfs/dbraw/zinc/15/60/04/606156004.db2.gz CFYWANMHFFJIEY-MRVPVSSYSA-N -1 1 362.344 2.103 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCC23CC4CC(CC(C4)C2)C3)n1 ZINC000822613751 606168812 /nfs/dbraw/zinc/16/88/12/606168812.db2.gz GVSGDITUVXDFHZ-UHFFFAOYSA-N -1 1 370.461 2.328 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCC23CC4CC(CC(C4)C2)C3)n1 ZINC000822613751 606168813 /nfs/dbraw/zinc/16/88/13/606168813.db2.gz GVSGDITUVXDFHZ-UHFFFAOYSA-N -1 1 370.461 2.328 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(Cl)c2Cl)n1 ZINC000822620586 606172400 /nfs/dbraw/zinc/17/24/00/606172400.db2.gz XTCCFMFOKHFNES-UHFFFAOYSA-N -1 1 367.200 2.229 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(Cl)c2Cl)n1 ZINC000822620586 606172401 /nfs/dbraw/zinc/17/24/01/606172401.db2.gz XTCCFMFOKHFNES-UHFFFAOYSA-N -1 1 367.200 2.229 20 0 FEADMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820913510 606172513 /nfs/dbraw/zinc/17/25/13/606172513.db2.gz HMGONMGDSOEQEZ-GFCCVEGCSA-N -1 1 374.836 2.396 20 0 FEADMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820913510 606172515 /nfs/dbraw/zinc/17/25/15/606172515.db2.gz HMGONMGDSOEQEZ-GFCCVEGCSA-N -1 1 374.836 2.396 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ccn(C)c2)c1-c1nn[n-]n1 ZINC000821989219 606184815 /nfs/dbraw/zinc/18/48/15/606184815.db2.gz INJQYAVLDIFIFT-UHFFFAOYSA-N -1 1 369.454 2.130 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(NC(=O)C2CC2)c1 ZINC000823294638 606194542 /nfs/dbraw/zinc/19/45/42/606194542.db2.gz LOVGEQRODIKHPI-UHFFFAOYSA-N -1 1 364.365 2.173 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cs1 ZINC000559154228 674530539 /nfs/dbraw/zinc/53/05/39/674530539.db2.gz DEBAYAOWMKEBNE-UHFFFAOYSA-N -1 1 350.324 2.244 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000823294842 606294837 /nfs/dbraw/zinc/29/48/37/606294837.db2.gz UICXKVGPOPUENW-UHFFFAOYSA-N -1 1 365.328 2.354 20 0 FEADMM C[S@@](=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000821942705 606431281 /nfs/dbraw/zinc/43/12/81/606431281.db2.gz PWPKMUGGQHPBGZ-AREMUKBSSA-N -1 1 365.422 2.159 20 0 FEADMM C[S@@](=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000821942705 606431282 /nfs/dbraw/zinc/43/12/82/606431282.db2.gz PWPKMUGGQHPBGZ-AREMUKBSSA-N -1 1 365.422 2.159 20 0 FEADMM CN(CC(F)F)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821595028 606482318 /nfs/dbraw/zinc/48/23/18/606482318.db2.gz KQFPQYYUOZGJHK-UHFFFAOYSA-N -1 1 357.796 2.081 20 0 FEADMM CN(CC(F)F)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821595028 606482320 /nfs/dbraw/zinc/48/23/20/606482320.db2.gz KQFPQYYUOZGJHK-UHFFFAOYSA-N -1 1 357.796 2.081 20 0 FEADMM O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350569 606488071 /nfs/dbraw/zinc/48/80/71/606488071.db2.gz RSSGUTIPAXIAKP-UHFFFAOYSA-N -1 1 356.411 2.017 20 0 FEADMM O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350569 606488072 /nfs/dbraw/zinc/48/80/72/606488072.db2.gz RSSGUTIPAXIAKP-UHFFFAOYSA-N -1 1 356.411 2.017 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2 ZINC000820392294 606494709 /nfs/dbraw/zinc/49/47/09/606494709.db2.gz UCUSROCYOQNKRE-VIFPVBQESA-N -1 1 357.395 2.190 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCCO2 ZINC000820392294 606494711 /nfs/dbraw/zinc/49/47/11/606494711.db2.gz UCUSROCYOQNKRE-VIFPVBQESA-N -1 1 357.395 2.190 20 0 FEADMM CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821635075 606509765 /nfs/dbraw/zinc/50/97/65/606509765.db2.gz LEJWCIORJZPKBK-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821635075 606509766 /nfs/dbraw/zinc/50/97/66/606509766.db2.gz LEJWCIORJZPKBK-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819828090 606528893 /nfs/dbraw/zinc/52/88/93/606528893.db2.gz YVJBUVAAIDOORN-UHFFFAOYSA-N -1 1 368.422 2.480 20 0 FEADMM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819828090 606528894 /nfs/dbraw/zinc/52/88/94/606528894.db2.gz YVJBUVAAIDOORN-UHFFFAOYSA-N -1 1 368.422 2.480 20 0 FEADMM O=C(CSc1cccc(C(F)(F)F)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823070532 606532680 /nfs/dbraw/zinc/53/26/80/606532680.db2.gz CVIYWMDSDIQCLK-UHFFFAOYSA-N -1 1 369.332 2.339 20 0 FEADMM O=C(CSc1cccc(C(F)(F)F)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823070532 606532681 /nfs/dbraw/zinc/53/26/81/606532681.db2.gz CVIYWMDSDIQCLK-UHFFFAOYSA-N -1 1 369.332 2.339 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000823484335 606543822 /nfs/dbraw/zinc/54/38/22/606543822.db2.gz WFROXAOJLBPKKT-CYBMUJFWSA-N -1 1 370.438 2.145 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000823484335 606543824 /nfs/dbraw/zinc/54/38/24/606543824.db2.gz WFROXAOJLBPKKT-CYBMUJFWSA-N -1 1 370.438 2.145 20 0 FEADMM O=C(Cc1ccc(-n2cccc2)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082194 606650521 /nfs/dbraw/zinc/65/05/21/606650521.db2.gz COTTUEQPMDPHIX-UHFFFAOYSA-N -1 1 360.377 2.338 20 0 FEADMM O=C(Cc1ccc(-n2cccc2)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082194 606650522 /nfs/dbraw/zinc/65/05/22/606650522.db2.gz COTTUEQPMDPHIX-UHFFFAOYSA-N -1 1 360.377 2.338 20 0 FEADMM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820938525 606652811 /nfs/dbraw/zinc/65/28/11/606652811.db2.gz KSHOEPBMFLLFAS-OAHLLOKOSA-N -1 1 353.382 2.471 20 0 FEADMM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820938525 606652812 /nfs/dbraw/zinc/65/28/12/606652812.db2.gz KSHOEPBMFLLFAS-OAHLLOKOSA-N -1 1 353.382 2.471 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cn(-c2ccccc2)nn1 ZINC000820511872 606654194 /nfs/dbraw/zinc/65/41/94/606654194.db2.gz DSYUSOCZMCYTJW-JTQLQIEISA-N -1 1 367.394 2.427 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1cn(-c2ccccc2)nn1 ZINC000820511872 606654195 /nfs/dbraw/zinc/65/41/95/606654195.db2.gz DSYUSOCZMCYTJW-JTQLQIEISA-N -1 1 367.394 2.427 20 0 FEADMM Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822239744 606788339 /nfs/dbraw/zinc/78/83/39/606788339.db2.gz CDFCNQIPYGNNQZ-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822239744 606788341 /nfs/dbraw/zinc/78/83/41/606788341.db2.gz CDFCNQIPYGNNQZ-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM CCC(CC)CN(CC)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820893856 606842049 /nfs/dbraw/zinc/84/20/49/606842049.db2.gz XMKLPCBKRXMHDV-UHFFFAOYSA-N -1 1 355.439 2.453 20 0 FEADMM COC(=O)Cc1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000821663809 606878453 /nfs/dbraw/zinc/87/84/53/606878453.db2.gz OVBLYTPKUSOUEN-UHFFFAOYSA-N -1 1 361.365 2.269 20 0 FEADMM COC(=O)Cc1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000821663809 606878454 /nfs/dbraw/zinc/87/84/54/606878454.db2.gz OVBLYTPKUSOUEN-UHFFFAOYSA-N -1 1 361.365 2.269 20 0 FEADMM FC(F)(F)Cn1cc(CNc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000822718205 606881585 /nfs/dbraw/zinc/88/15/85/606881585.db2.gz CERNGJVBVIFLLL-UHFFFAOYSA-N -1 1 364.744 2.348 20 0 FEADMM FC(F)(F)Cn1cc(CNc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000822718205 606881587 /nfs/dbraw/zinc/88/15/87/606881587.db2.gz CERNGJVBVIFLLL-UHFFFAOYSA-N -1 1 364.744 2.348 20 0 FEADMM O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823289711 606915408 /nfs/dbraw/zinc/91/54/08/606915408.db2.gz MWENGUNBDHGFGC-UHFFFAOYSA-N -1 1 368.307 2.182 20 0 FEADMM O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823289711 606915410 /nfs/dbraw/zinc/91/54/10/606915410.db2.gz MWENGUNBDHGFGC-UHFFFAOYSA-N -1 1 368.307 2.182 20 0 FEADMM CCc1nnc(Oc2ccc3c(c2)CCC(=O)N3)c(-c2nnn[n-]2)c1CC ZINC000821548621 606919601 /nfs/dbraw/zinc/91/96/01/606919601.db2.gz QWFMCFAWBMWUGD-UHFFFAOYSA-N -1 1 365.397 2.459 20 0 FEADMM CCc1nnc(Oc2ccc3c(c2)CCC(=O)N3)c(-c2nn[n-]n2)c1CC ZINC000821548621 606919602 /nfs/dbraw/zinc/91/96/02/606919602.db2.gz QWFMCFAWBMWUGD-UHFFFAOYSA-N -1 1 365.397 2.459 20 0 FEADMM O=C(Oc1cc(F)cc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823445460 606932243 /nfs/dbraw/zinc/93/22/43/606932243.db2.gz WSRFNIKFTXQBCA-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Oc1cc(F)cc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823445460 606932246 /nfs/dbraw/zinc/93/22/46/606932246.db2.gz WSRFNIKFTXQBCA-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820818746 606955744 /nfs/dbraw/zinc/95/57/44/606955744.db2.gz AXNVWNJKWHXSDX-QMMMGPOBSA-N -1 1 374.355 2.030 20 0 FEADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820818746 606955745 /nfs/dbraw/zinc/95/57/45/606955745.db2.gz AXNVWNJKWHXSDX-QMMMGPOBSA-N -1 1 374.355 2.030 20 0 FEADMM CCS[C@@H](C)c1noc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000821447226 607111671 /nfs/dbraw/zinc/11/16/71/607111671.db2.gz HZZYGXWXALFPJN-ZETCQYMHSA-N -1 1 366.428 2.482 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000822535238 607134925 /nfs/dbraw/zinc/13/49/25/607134925.db2.gz KNKFCUULRSJXBJ-YPMHNXCESA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000822535238 607134927 /nfs/dbraw/zinc/13/49/27/607134927.db2.gz KNKFCUULRSJXBJ-YPMHNXCESA-N -1 1 370.413 2.104 20 0 FEADMM CCCOc1cc(F)ccc1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821127098 607137723 /nfs/dbraw/zinc/13/77/23/607137723.db2.gz BFITUUVSQHBNKX-UHFFFAOYSA-N -1 1 360.353 2.172 20 0 FEADMM CCCOc1cc(F)ccc1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821127098 607137725 /nfs/dbraw/zinc/13/77/25/607137725.db2.gz BFITUUVSQHBNKX-UHFFFAOYSA-N -1 1 360.353 2.172 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCOC(C)(C)C ZINC000822534944 607166814 /nfs/dbraw/zinc/16/68/14/607166814.db2.gz DBIDVYZBMQSUPI-UHFFFAOYSA-N -1 1 372.429 2.446 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCOC(C)(C)C ZINC000822534944 607166817 /nfs/dbraw/zinc/16/68/17/607166817.db2.gz DBIDVYZBMQSUPI-UHFFFAOYSA-N -1 1 372.429 2.446 20 0 FEADMM Cc1cc(-c2ccccc2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822128620 607207380 /nfs/dbraw/zinc/20/73/80/607207380.db2.gz DZCZGDSVDOODFB-UHFFFAOYSA-N -1 1 360.381 2.072 20 0 FEADMM CCc1ccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000825712192 607864596 /nfs/dbraw/zinc/86/45/96/607864596.db2.gz MSDNOSZNRJLQMI-UHFFFAOYSA-N -1 1 361.402 2.325 20 0 FEADMM CCc1ccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000825712192 607864597 /nfs/dbraw/zinc/86/45/97/607864597.db2.gz MSDNOSZNRJLQMI-UHFFFAOYSA-N -1 1 361.402 2.325 20 0 FEADMM COc1ccc(CN(C)C(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826192728 607865449 /nfs/dbraw/zinc/86/54/49/607865449.db2.gz YGUQOVCWBPJJJV-UHFFFAOYSA-N -1 1 371.372 2.052 20 0 FEADMM COc1ccc(CN(C)C(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826192728 607865450 /nfs/dbraw/zinc/86/54/50/607865450.db2.gz YGUQOVCWBPJJJV-UHFFFAOYSA-N -1 1 371.372 2.052 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825012649 607865857 /nfs/dbraw/zinc/86/58/57/607865857.db2.gz LDRIWMNPNDZQOH-LLVKDONJSA-N -1 1 353.357 2.362 20 0 FEADMM C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825012649 607865858 /nfs/dbraw/zinc/86/58/58/607865858.db2.gz LDRIWMNPNDZQOH-LLVKDONJSA-N -1 1 353.357 2.362 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000826272456 607867580 /nfs/dbraw/zinc/86/75/80/607867580.db2.gz KQKCQZZNWVBFKF-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000826272456 607867581 /nfs/dbraw/zinc/86/75/81/607867581.db2.gz KQKCQZZNWVBFKF-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1ccc(-n2nnnc2Sc2cccc(-c3nnn[n-]3)n2)cc1C ZINC000826281481 607895853 /nfs/dbraw/zinc/89/58/53/607895853.db2.gz UQJGBIWCZBQDDW-UHFFFAOYSA-N -1 1 351.399 2.005 20 0 FEADMM Cc1ccc(-n2nnnc2Sc2cccc(-c3nn[n-]n3)n2)cc1C ZINC000826281481 607895854 /nfs/dbraw/zinc/89/58/54/607895854.db2.gz UQJGBIWCZBQDDW-UHFFFAOYSA-N -1 1 351.399 2.005 20 0 FEADMM Clc1nsc(N2CC[C@H](OCc3ccccn3)C2)c1-c1nnn[n-]1 ZINC000826353794 608016296 /nfs/dbraw/zinc/01/62/96/608016296.db2.gz DMGZKBMZRKMFRV-JTQLQIEISA-N -1 1 363.834 2.167 20 0 FEADMM Clc1nsc(N2CC[C@H](OCc3ccccn3)C2)c1-c1nn[n-]n1 ZINC000826353794 608016297 /nfs/dbraw/zinc/01/62/97/608016297.db2.gz DMGZKBMZRKMFRV-JTQLQIEISA-N -1 1 363.834 2.167 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492826 608054697 /nfs/dbraw/zinc/05/46/97/608054697.db2.gz GOTKHNJPPQLDKV-UHFFFAOYSA-N -1 1 367.394 2.058 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3ccc(F)cc3F)CCC2)n1 ZINC000826356780 608106649 /nfs/dbraw/zinc/10/66/49/608106649.db2.gz FQLIJOSMVOJLAJ-UHFFFAOYSA-N -1 1 374.355 2.079 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3ccc(F)cc3F)CCC2)n1 ZINC000826356780 608106650 /nfs/dbraw/zinc/10/66/50/608106650.db2.gz FQLIJOSMVOJLAJ-UHFFFAOYSA-N -1 1 374.355 2.079 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC12CCC2 ZINC000824961455 608155453 /nfs/dbraw/zinc/15/54/53/608155453.db2.gz CSDOYODJSDJICL-NSHDSACASA-N -1 1 365.434 2.207 20 0 FEADMM OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000826508259 608184884 /nfs/dbraw/zinc/18/48/84/608184884.db2.gz KCWUDSVTTLJOID-ZETCQYMHSA-N -1 1 358.761 2.400 20 0 FEADMM OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000826508259 608184886 /nfs/dbraw/zinc/18/48/86/608184886.db2.gz KCWUDSVTTLJOID-ZETCQYMHSA-N -1 1 358.761 2.400 20 0 FEADMM CC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H](CC)CN1C(C)=O ZINC000825221185 608187478 /nfs/dbraw/zinc/18/74/78/608187478.db2.gz YREWAYZJMNHJAD-UWVGGRQHSA-N -1 1 369.882 2.202 20 0 FEADMM CC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000825221185 608187479 /nfs/dbraw/zinc/18/74/79/608187479.db2.gz YREWAYZJMNHJAD-UWVGGRQHSA-N -1 1 369.882 2.202 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826098678 608237924 /nfs/dbraw/zinc/23/79/24/608237924.db2.gz LRHSSGDJCGOYTM-JTQLQIEISA-N -1 1 364.837 2.331 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826098678 608237926 /nfs/dbraw/zinc/23/79/26/608237926.db2.gz LRHSSGDJCGOYTM-JTQLQIEISA-N -1 1 364.837 2.331 20 0 FEADMM CC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825193361 608245975 /nfs/dbraw/zinc/24/59/75/608245975.db2.gz LDPMHHJJYVQINC-GWCFXTLKSA-N -1 1 358.446 2.306 20 0 FEADMM FC(F)(F)COCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826367739 608394335 /nfs/dbraw/zinc/39/43/35/608394335.db2.gz MBDZVAYCUUSCLO-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM FC(F)(F)COCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826367739 608394334 /nfs/dbraw/zinc/39/43/34/608394334.db2.gz MBDZVAYCUUSCLO-UHFFFAOYSA-N -1 1 365.319 2.348 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@H](Nc2ccc(-c4nnn[n-]4)nn2)C3)cc1 ZINC000826519009 608409270 /nfs/dbraw/zinc/40/92/70/608409270.db2.gz GLZXPUZTXFYGAL-AWEZNQCLSA-N -1 1 371.408 2.083 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@H](Nc2ccc(-c4nn[n-]n4)nn2)C3)cc1 ZINC000826519009 608409271 /nfs/dbraw/zinc/40/92/71/608409271.db2.gz GLZXPUZTXFYGAL-AWEZNQCLSA-N -1 1 371.408 2.083 20 0 FEADMM CC(C)(C)OC(=O)NCc1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824114063 608414618 /nfs/dbraw/zinc/41/46/18/608414618.db2.gz IJQBYJQKFZHCJC-UHFFFAOYSA-N -1 1 369.385 2.474 20 0 FEADMM CC(C)(C)OC(=O)NCc1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824114063 608414620 /nfs/dbraw/zinc/41/46/20/608414620.db2.gz IJQBYJQKFZHCJC-UHFFFAOYSA-N -1 1 369.385 2.474 20 0 FEADMM Brc1cccc(CCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000823831831 608416230 /nfs/dbraw/zinc/41/62/30/608416230.db2.gz FCTXFDLYCNWOFV-UHFFFAOYSA-N -1 1 360.219 2.464 20 0 FEADMM Brc1cccc(CCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000823831831 608416232 /nfs/dbraw/zinc/41/62/32/608416232.db2.gz FCTXFDLYCNWOFV-UHFFFAOYSA-N -1 1 360.219 2.464 20 0 FEADMM c1cn(CCCc2ccccc2)c(CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826521688 608431133 /nfs/dbraw/zinc/43/11/33/608431133.db2.gz VTPGUJGAKMSJPC-UHFFFAOYSA-N -1 1 361.413 2.098 20 0 FEADMM c1cn(CCCc2ccccc2)c(CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826521688 608431134 /nfs/dbraw/zinc/43/11/34/608431134.db2.gz VTPGUJGAKMSJPC-UHFFFAOYSA-N -1 1 361.413 2.098 20 0 FEADMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)C(C)(C)C1 ZINC000824109442 608726596 /nfs/dbraw/zinc/72/65/96/608726596.db2.gz QMGGGHRLKUTNEF-UHFFFAOYSA-N -1 1 362.434 2.291 20 0 FEADMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)C(C)(C)C1 ZINC000824109442 608726597 /nfs/dbraw/zinc/72/65/97/608726597.db2.gz QMGGGHRLKUTNEF-UHFFFAOYSA-N -1 1 362.434 2.291 20 0 FEADMM FC(F)Oc1ccc(Br)cc1Cn1ccnc1-c1nnn[n-]1 ZINC000826369638 608892928 /nfs/dbraw/zinc/89/29/28/608892928.db2.gz KVOHIPAOOGEDEG-UHFFFAOYSA-N -1 1 371.145 2.475 20 0 FEADMM FC(F)Oc1ccc(Br)cc1Cn1ccnc1-c1nn[n-]n1 ZINC000826369638 608892931 /nfs/dbraw/zinc/89/29/31/608892931.db2.gz KVOHIPAOOGEDEG-UHFFFAOYSA-N -1 1 371.145 2.475 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@H](Nc1nccnc1-c1nnn[n-]1)CCC2 ZINC000826525126 609150595 /nfs/dbraw/zinc/15/05/95/609150595.db2.gz XUYVDLSICYKHAO-CYBMUJFWSA-N -1 1 351.418 2.458 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@H](Nc1nccnc1-c1nn[n-]n1)CCC2 ZINC000826525126 609150597 /nfs/dbraw/zinc/15/05/97/609150597.db2.gz XUYVDLSICYKHAO-CYBMUJFWSA-N -1 1 351.418 2.458 20 0 FEADMM Cc1nn(C)c(C)c1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826333660 609279570 /nfs/dbraw/zinc/27/95/70/609279570.db2.gz QGBCPDPKZXDOQG-UHFFFAOYSA-N -1 1 367.392 2.154 20 0 FEADMM CC1(OCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000824844183 609290705 /nfs/dbraw/zinc/29/07/05/609290705.db2.gz RPLLIWKZAALDGQ-UHFFFAOYSA-N -1 1 371.376 2.089 20 0 FEADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824505674 609355494 /nfs/dbraw/zinc/35/54/94/609355494.db2.gz GZDHASLAKDDAFV-VIFPVBQESA-N -1 1 356.365 2.112 20 0 FEADMM Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1-c1nnnn1C1CC1 ZINC000826291416 609486610 /nfs/dbraw/zinc/48/66/10/609486610.db2.gz FFEVDKXXHORBBH-UHFFFAOYSA-N -1 1 374.412 2.171 20 0 FEADMM Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1-c1nnnn1C1CC1 ZINC000826291416 609486612 /nfs/dbraw/zinc/48/66/12/609486612.db2.gz FFEVDKXXHORBBH-UHFFFAOYSA-N -1 1 374.412 2.171 20 0 FEADMM COc1cccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC000826215217 609502930 /nfs/dbraw/zinc/50/29/30/609502930.db2.gz JMYZOUIVROUZSF-UHFFFAOYSA-N -1 1 353.407 2.476 20 0 FEADMM COc1cccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC000826215217 609502933 /nfs/dbraw/zinc/50/29/33/609502933.db2.gz JMYZOUIVROUZSF-UHFFFAOYSA-N -1 1 353.407 2.476 20 0 FEADMM CC(C)OCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824309890 609510913 /nfs/dbraw/zinc/51/09/13/609510913.db2.gz YTPYZVKSNNTWQN-UHFFFAOYSA-N -1 1 373.392 2.335 20 0 FEADMM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826493094 609525089 /nfs/dbraw/zinc/52/50/89/609525089.db2.gz SZRHNEFNNSNLKY-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM Cc1cc(Nc2ccc(-c3nn[n-]n3)nn2)cnc1N1CCCC[C@H]1C ZINC000826271478 609563918 /nfs/dbraw/zinc/56/39/18/609563918.db2.gz SUTYKSIRQVFLKF-GFCCVEGCSA-N -1 1 351.418 2.483 20 0 FEADMM CC1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)COC1 ZINC000560355516 674579763 /nfs/dbraw/zinc/57/97/63/674579763.db2.gz CBTVLCPTLCKKID-UHFFFAOYSA-N -1 1 351.200 2.469 20 0 FEADMM O=C(COC(=O)C1(CCF)CC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000811339843 674595896 /nfs/dbraw/zinc/59/58/96/674595896.db2.gz NARUPJUFOAWVGZ-UHFFFAOYSA-N -1 1 359.300 2.227 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(F)CCCCC3)CC2)n1 ZINC000811461221 674606224 /nfs/dbraw/zinc/60/62/24/674606224.db2.gz IGRNGJHFMNYMFK-UHFFFAOYSA-N -1 1 352.410 2.360 20 0 FEADMM COC[C@H](C)[C@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000812575016 674685544 /nfs/dbraw/zinc/68/55/44/674685544.db2.gz MTZIXZSPTKXIRN-VLJOUNFMSA-N -1 1 352.397 2.209 20 0 FEADMM O=C([N-]OC1CCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000812790351 674698356 /nfs/dbraw/zinc/69/83/56/674698356.db2.gz OFJPDGYSKYJPQZ-SNVBAGLBSA-N -1 1 353.216 2.402 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)Cc1ccccc1Br ZINC000561997543 674714166 /nfs/dbraw/zinc/71/41/66/674714166.db2.gz NGPIOJYFDDHLTF-MRVPVSSYSA-N -1 1 374.260 2.237 20 0 FEADMM Cc1ccncc1/C=C/C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813282784 674733375 /nfs/dbraw/zinc/73/33/75/674733375.db2.gz AIGAAVYJOVEBDJ-IHVVCDCBSA-N -1 1 355.360 2.320 20 0 FEADMM C[C@H]1CCN(C(=O)C[C@@H](O)CC(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813636336 674763429 /nfs/dbraw/zinc/76/34/29/674763429.db2.gz VXRZJZAORXAXRW-FMSGJZPZSA-N -1 1 366.424 2.478 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cnc(Cl)n2C)c1Cl ZINC000814217400 674827067 /nfs/dbraw/zinc/82/70/67/674827067.db2.gz FOYHQORLTVONFK-UHFFFAOYSA-N -1 1 364.210 2.314 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(C)c(Cl)c2)C(=O)[N-]C1=S ZINC000814347202 674833189 /nfs/dbraw/zinc/83/31/89/674833189.db2.gz YNHNRMLAYWFSPX-JLHYYAGUSA-N -1 1 367.858 2.224 20 0 FEADMM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(Cl)c2nonc21 ZINC000814379062 674835409 /nfs/dbraw/zinc/83/54/09/674835409.db2.gz GPJKYVDILLZCLP-UHFFFAOYSA-N -1 1 361.754 2.408 20 0 FEADMM CCOC(=O)c1ccsc1NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000563216859 674859274 /nfs/dbraw/zinc/85/92/74/674859274.db2.gz MJGIBJXNNSQVDV-APPDUMDISA-N -1 1 366.439 2.050 20 0 FEADMM O=S(=O)([N-]Cc1nccc(C(F)F)n1)c1cc(F)c(F)cc1F ZINC000563722705 674932957 /nfs/dbraw/zinc/93/29/57/674932957.db2.gz GTLGQODQZWMTRC-UHFFFAOYSA-N -1 1 353.272 2.310 20 0 FEADMM O=C(COC(=O)c1ccc(Br)o1)[N-]C(=O)c1ccccc1 ZINC000003453674 669944989 /nfs/dbraw/zinc/94/49/89/669944989.db2.gz ZZMOLCVQYDWDFB-UHFFFAOYSA-N -1 1 352.140 2.156 20 0 FEADMM O=C(COC(=O)[C@@H]1CC=CCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000006291297 669958728 /nfs/dbraw/zinc/95/87/28/669958728.db2.gz ZWJZRZQXAABZRM-GFCCVEGCSA-N -1 1 353.321 2.444 20 0 FEADMM CC(=O)c1ccccc1NC(C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009951612 669985314 /nfs/dbraw/zinc/98/53/14/669985314.db2.gz OZBHYDRIMVLTKR-PTNGSMBKSA-N -1 1 359.451 2.474 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NC(=O)c2ccc(OC)cc2)n1 ZINC000011443404 669996541 /nfs/dbraw/zinc/99/65/41/669996541.db2.gz FHZRRTRFNODFHW-UHFFFAOYSA-N -1 1 361.423 2.192 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2sccc2C(N)=O)n1 ZINC000015805412 670013935 /nfs/dbraw/zinc/01/39/35/670013935.db2.gz SAYKBINDNHNGPE-MRVPVSSYSA-N -1 1 366.468 2.414 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(C(C)=O)s2)cc1 ZINC000025267377 670061002 /nfs/dbraw/zinc/06/10/02/670061002.db2.gz WRPCJPOVLKXCPX-UHFFFAOYSA-N -1 1 361.375 2.073 20 0 FEADMM CCn1ncn(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])c1=O ZINC000816736127 675076219 /nfs/dbraw/zinc/07/62/19/675076219.db2.gz KXOLKDQMXZHQTJ-UHFFFAOYSA-N -1 1 358.785 2.475 20 0 FEADMM CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c(=O)[n-]1 ZINC000041561460 670147255 /nfs/dbraw/zinc/14/72/55/670147255.db2.gz LWHPLAIDOIGDJW-ZDUSSCGKSA-N -1 1 357.439 2.016 20 0 FEADMM CCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000041845918 670151891 /nfs/dbraw/zinc/15/18/91/670151891.db2.gz IEHIVPFRSPCMSA-UHFFFAOYSA-N -1 1 362.407 2.371 20 0 FEADMM COc1ccc(C(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC000042775892 670168540 /nfs/dbraw/zinc/16/85/40/670168540.db2.gz SMVUVQFBFSSAQV-UHFFFAOYSA-N -1 1 369.420 2.168 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1O ZINC000047521670 670244409 /nfs/dbraw/zinc/24/44/09/670244409.db2.gz NVZWYGIBJQUZLQ-UHFFFAOYSA-N -1 1 370.314 2.027 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)o1 ZINC000048104207 670257725 /nfs/dbraw/zinc/25/77/25/670257725.db2.gz SEIHIJKGHUDPFF-UHFFFAOYSA-N -1 1 364.423 2.001 20 0 FEADMM Cc1cc(Br)oc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000051703041 670302872 /nfs/dbraw/zinc/30/28/72/670302872.db2.gz IPNCSSAFUFAUKH-UHFFFAOYSA-N -1 1 366.167 2.464 20 0 FEADMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)c1 ZINC000055652685 670353598 /nfs/dbraw/zinc/35/35/98/670353598.db2.gz ZGUAVXDOZOVKOP-UHFFFAOYSA-N -1 1 357.391 2.311 20 0 FEADMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000060861669 670390229 /nfs/dbraw/zinc/39/02/29/670390229.db2.gz GCTANNMSGYHWBS-XFFZJAGNSA-N -1 1 362.411 2.098 20 0 FEADMM CC(C)NC(=O)N[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000062930900 670403720 /nfs/dbraw/zinc/40/37/20/670403720.db2.gz WPTRGMPIWJMABD-UHFFFAOYSA-N -1 1 359.757 2.260 20 0 FEADMM Cc1nocc1CS(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000565239411 675105164 /nfs/dbraw/zinc/10/51/64/675105164.db2.gz XLVMSVFKWRQHTG-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM Cc1nocc1CS(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000565239411 675105170 /nfs/dbraw/zinc/10/51/70/675105170.db2.gz XLVMSVFKWRQHTG-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM CCCCS(=O)(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817149342 675105356 /nfs/dbraw/zinc/10/53/56/675105356.db2.gz CTXKHAAFSZPYSY-GFCCVEGCSA-N -1 1 364.389 2.226 20 0 FEADMM CC(C)CS(=O)(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817149346 675105536 /nfs/dbraw/zinc/10/55/36/675105536.db2.gz CWECHRCTKDBIHO-GFCCVEGCSA-N -1 1 364.389 2.082 20 0 FEADMM CCn1c(CCNC(=O)c2cc(Cl)c3c(c2)OCCO3)n[n-]c1=S ZINC000067075958 670452969 /nfs/dbraw/zinc/45/29/69/670452969.db2.gz PYQOKXCTCNJPCY-UHFFFAOYSA-N -1 1 368.846 2.358 20 0 FEADMM CC(C)c1n[nH]c(C(=O)NCCc2n[n-]c(=S)n2C)c1Br ZINC000067119042 670453740 /nfs/dbraw/zinc/45/37/40/670453740.db2.gz XVOXZFNUUSPMTN-UHFFFAOYSA-N -1 1 373.280 2.059 20 0 FEADMM O=C1NCCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068075792 670465672 /nfs/dbraw/zinc/46/56/72/670465672.db2.gz PPSCWBOOQVGISI-UHFFFAOYSA-N -1 1 359.407 2.047 20 0 FEADMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1 ZINC000074627303 670521942 /nfs/dbraw/zinc/52/19/42/670521942.db2.gz DCPZCNMZBVHRPQ-UHFFFAOYSA-N -1 1 358.379 2.320 20 0 FEADMM Cc1cc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)nn1C ZINC000817292465 675118217 /nfs/dbraw/zinc/11/82/17/675118217.db2.gz HNVKIPQUIRGQBQ-AWEZNQCLSA-N -1 1 352.360 2.338 20 0 FEADMM Cc1cnc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cn1 ZINC000817294250 675118609 /nfs/dbraw/zinc/11/86/09/675118609.db2.gz QPLZLGUQAIPUIK-CQSZACIVSA-N -1 1 350.344 2.395 20 0 FEADMM C[C@](O)(Cc1ccccc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000082991494 670653021 /nfs/dbraw/zinc/65/30/21/670653021.db2.gz DFYRDPSKUBOBRZ-KRWDZBQOSA-N -1 1 350.777 2.234 20 0 FEADMM Cc1cnn(C)c1CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817417867 675131339 /nfs/dbraw/zinc/13/13/39/675131339.db2.gz VBQUDNCUEYBPHE-ZDUSSCGKSA-N -1 1 352.360 2.338 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089833762 670706415 /nfs/dbraw/zinc/70/64/15/670706415.db2.gz VZJNVLHBKPVFAZ-VIFPVBQESA-N -1 1 353.473 2.241 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(C)c1 ZINC000102862548 670777568 /nfs/dbraw/zinc/77/75/68/670777568.db2.gz CLDDSMSGQUKBST-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CN1CC[C@@H](CNC(=O)C2(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571169761 670829025 /nfs/dbraw/zinc/82/90/25/670829025.db2.gz OAOGXIHAOITEIV-FZMZJTMJSA-N -1 1 354.809 2.453 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1N(C)C ZINC000109424884 670841917 /nfs/dbraw/zinc/84/19/17/670841917.db2.gz PULPPNNYHTYGPV-UHFFFAOYSA-N -1 1 368.480 2.265 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(C)(C)C ZINC000112664705 670874826 /nfs/dbraw/zinc/87/48/26/670874826.db2.gz GHHRYQOCAHRWQM-SECBINFHSA-N -1 1 355.243 2.254 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000571527814 670887467 /nfs/dbraw/zinc/88/74/67/670887467.db2.gz OYVVRAOXZTZDSE-ZDUSSCGKSA-N -1 1 372.512 2.394 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC=CO1)C(F)(F)F ZINC000817675813 675160313 /nfs/dbraw/zinc/16/03/13/675160313.db2.gz WVMKIZQTKNYFAF-JSGCOSHPSA-N -1 1 354.328 2.316 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3cccc(OC)c3)CC2)o1 ZINC000572410957 670998229 /nfs/dbraw/zinc/99/82/29/670998229.db2.gz XGHHRPIUTKHCTB-UHFFFAOYSA-N -1 1 365.407 2.085 20 0 FEADMM Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)ccc1[O-])CC2 ZINC000566025470 675168424 /nfs/dbraw/zinc/16/84/24/675168424.db2.gz VEYJQOXWQSSKTL-QMMMGPOBSA-N -1 1 368.256 2.481 20 0 FEADMM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000573627818 671144650 /nfs/dbraw/zinc/14/46/50/671144650.db2.gz BGTPIVVGVHJYAQ-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CCO[C@@H]1C[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000573907480 671179806 /nfs/dbraw/zinc/17/98/06/671179806.db2.gz LKDDWZTVIICLDG-DLBZAZTESA-N -1 1 360.435 2.395 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccn(-c4ccncc4)n3)cn21 ZINC000574296304 671224057 /nfs/dbraw/zinc/22/40/57/671224057.db2.gz JFOPZQCLATZFOO-GFCCVEGCSA-N -1 1 358.427 2.162 20 0 FEADMM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1cc(=O)n2[n-]cnc2n1 ZINC000575012198 671292599 /nfs/dbraw/zinc/29/25/99/671292599.db2.gz SYTGUNCZIYTKGK-DGCLKSJQSA-N -1 1 357.801 2.137 20 0 FEADMM COc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000575035976 671294178 /nfs/dbraw/zinc/29/41/78/671294178.db2.gz YUXMYWIAAHLAFH-UHFFFAOYSA-N -1 1 373.333 2.238 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccnn3C)C2)c(F)c1 ZINC000575863170 671326677 /nfs/dbraw/zinc/32/66/77/671326677.db2.gz QERAWXJFHDNZIW-XHDPSFHLSA-N -1 1 371.409 2.205 20 0 FEADMM CC(C)OC[C@@H](O)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000576166940 671348573 /nfs/dbraw/zinc/34/85/73/671348573.db2.gz IMTXVCPDRZEUJB-WFASDCNBSA-N -1 1 372.259 2.046 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCNC3=O)c(C)c1C ZINC000576249137 671355118 /nfs/dbraw/zinc/35/51/18/671355118.db2.gz FEKBNKSRZMATRH-UHFFFAOYSA-N -1 1 360.435 2.399 20 0 FEADMM CSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000609459426 675922686 /nfs/dbraw/zinc/92/26/86/675922686.db2.gz DOGSASXSCLRXJG-UHFFFAOYSA-N -1 1 362.432 2.234 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1 ZINC000609494571 675923561 /nfs/dbraw/zinc/92/35/61/675923561.db2.gz BDQLLJKUKWABBM-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1C(N)=O ZINC000578310397 671655800 /nfs/dbraw/zinc/65/58/00/671655800.db2.gz SAWRLLNWSUXYOJ-UHFFFAOYSA-N -1 1 361.379 2.045 20 0 FEADMM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000578394465 671662148 /nfs/dbraw/zinc/66/21/48/671662148.db2.gz SPZVXSFQFLCAKX-UHFFFAOYSA-N -1 1 368.480 2.484 20 0 FEADMM Cn1nccc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000578429777 671664683 /nfs/dbraw/zinc/66/46/83/671664683.db2.gz FTBPHJXRFGZLNI-CJNGLKHVSA-N -1 1 361.423 2.365 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000579599728 671747375 /nfs/dbraw/zinc/74/73/75/671747375.db2.gz XNCWEEHCDKXSKD-LLVKDONJSA-N -1 1 360.501 2.153 20 0 FEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cncc(C(=O)OC)c1)C(F)(F)F ZINC000580394513 671803189 /nfs/dbraw/zinc/80/31/89/671803189.db2.gz BFTNACKVZDPDTC-GZMMTYOYSA-N -1 1 354.350 2.124 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000580504677 671812855 /nfs/dbraw/zinc/81/28/55/671812855.db2.gz FUOWULQUXFMFJK-UHFFFAOYSA-N -1 1 362.407 2.244 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cn1 ZINC000580673311 671823934 /nfs/dbraw/zinc/82/39/34/671823934.db2.gz SNKKLYLPHKSLGQ-ZDUSSCGKSA-N -1 1 369.409 2.319 20 0 FEADMM CCO[C@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000580693703 671825240 /nfs/dbraw/zinc/82/52/40/671825240.db2.gz DXRDEJPWQRBTCG-SJORKVTESA-N -1 1 360.435 2.395 20 0 FEADMM CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000581431281 671896579 /nfs/dbraw/zinc/89/65/79/671896579.db2.gz DCDHHJHJZQGBTF-LBPRGKRZSA-N -1 1 353.419 2.095 20 0 FEADMM C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121605057 671953509 /nfs/dbraw/zinc/95/35/09/671953509.db2.gz JTFLLNRBAZFIPM-NXEZZACHSA-N -1 1 359.220 2.462 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C12CCCC2 ZINC000610269564 675963889 /nfs/dbraw/zinc/96/38/89/675963889.db2.gz IXXCMFNVPQMDPE-OLZOCXBDSA-N -1 1 357.428 2.082 20 0 FEADMM Cc1c(F)cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000582364056 671994853 /nfs/dbraw/zinc/99/48/53/671994853.db2.gz TWBTTWLBLXQBLI-LBPRGKRZSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@]2(CCSC2)C1 ZINC000582530816 672010124 /nfs/dbraw/zinc/01/01/24/672010124.db2.gz BMPHTJPIZYVVNS-SFHVURJKSA-N -1 1 360.483 2.340 20 0 FEADMM O=S(=O)(Cc1cn(CC2CC2)nn1)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000582946668 672048792 /nfs/dbraw/zinc/04/87/92/672048792.db2.gz HUVUKDHRQXCMKZ-UHFFFAOYSA-N -1 1 361.402 2.191 20 0 FEADMM O=S(=O)(Cc1cn(CC2CC2)nn1)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000582946668 672048793 /nfs/dbraw/zinc/04/87/93/672048793.db2.gz HUVUKDHRQXCMKZ-UHFFFAOYSA-N -1 1 361.402 2.191 20 0 FEADMM CC(C)Oc1ncc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1Cl ZINC000129326823 672060985 /nfs/dbraw/zinc/06/09/85/672060985.db2.gz NRQGVIMKXNWSHW-JTQLQIEISA-N -1 1 350.810 2.055 20 0 FEADMM Cc1cccc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000129822520 672067068 /nfs/dbraw/zinc/06/70/68/672067068.db2.gz NJKGKOWCBHDSMK-UHFFFAOYSA-N -1 1 352.412 2.417 20 0 FEADMM CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131359354 672087283 /nfs/dbraw/zinc/08/72/83/672087283.db2.gz PKHYVMBLNSGUOP-UHFFFAOYSA-N -1 1 352.815 2.282 20 0 FEADMM Cc1nc(NC(=O)c2n[nH]c3c2CCC3)sc1-c1n[n-]c(=S)n1C ZINC000131864456 672092427 /nfs/dbraw/zinc/09/24/27/672092427.db2.gz GUBWFLWEELQKCG-UHFFFAOYSA-N -1 1 361.456 2.374 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3F)C2)c(F)c1 ZINC000583560855 672106440 /nfs/dbraw/zinc/10/64/40/672106440.db2.gz VTDUFTAGPUXJNT-LLVKDONJSA-N -1 1 371.384 2.365 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C)nc2N(C)C)c(=O)[n-]1 ZINC000152698787 672186132 /nfs/dbraw/zinc/18/61/32/672186132.db2.gz PATANLXXOBAXEJ-UHFFFAOYSA-N -1 1 361.471 2.141 20 0 FEADMM CCc1onc(C)c1[N-]C(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000153924425 672207208 /nfs/dbraw/zinc/20/72/08/672207208.db2.gz SOTMSUZKDODIHY-UHFFFAOYSA-N -1 1 363.317 2.486 20 0 FEADMM C[C@@H](CS(C)(=O)=O)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000584841844 672221534 /nfs/dbraw/zinc/22/15/34/672221534.db2.gz TXVKTGJWJFQDJQ-LURJTMIESA-N -1 1 370.652 2.427 20 0 FEADMM CNC(=O)c1cccc(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000156321986 672244874 /nfs/dbraw/zinc/24/48/74/672244874.db2.gz XUTBKPXQCCQOKR-UHFFFAOYSA-N -1 1 350.172 2.162 20 0 FEADMM COc1cccc(NCC(=O)N[N-]C(=O)c2cc(Cl)ncc2Cl)c1 ZINC000161380019 672296992 /nfs/dbraw/zinc/29/69/92/672296992.db2.gz AJUVHCDZDVSOKO-UHFFFAOYSA-N -1 1 369.208 2.270 20 0 FEADMM CC(C)C[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)C(=O)OCc1ccccc1 ZINC000165304362 672317292 /nfs/dbraw/zinc/31/72/92/672317292.db2.gz KLGYZLDZRBVCFP-INIZCTEOSA-N -1 1 364.467 2.368 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCCc2ccc(-c3ccccc3)cc2)s1 ZINC000168343176 672320751 /nfs/dbraw/zinc/32/07/51/672320751.db2.gz FFKPQCJEECZLGE-INIZCTEOSA-N -1 1 353.447 2.359 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nc(C(F)(F)F)cs2)o1 ZINC000179187773 672399645 /nfs/dbraw/zinc/39/96/45/672399645.db2.gz KBKQFXWVYCDOBQ-UHFFFAOYSA-N -1 1 370.330 2.020 20 0 FEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ncccc2Cl)ccc1F ZINC000180196438 672410300 /nfs/dbraw/zinc/41/03/00/672410300.db2.gz YXHSOHNSJXEPQD-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000181033828 672421039 /nfs/dbraw/zinc/42/10/39/672421039.db2.gz QUZQDPHTQDVKCT-QHHAFSJGSA-N -1 1 358.828 2.406 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)ccc1F ZINC000181159860 672422689 /nfs/dbraw/zinc/42/26/89/672422689.db2.gz HZVIEUZXXMVHDC-UHFFFAOYSA-N -1 1 364.398 2.405 20 0 FEADMM CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1 ZINC000182108523 672438465 /nfs/dbraw/zinc/43/84/65/672438465.db2.gz ZSGJIMKNJKARJB-UHFFFAOYSA-N -1 1 359.407 2.470 20 0 FEADMM O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1ccc(F)c(Cl)c1F ZINC000182778474 672453125 /nfs/dbraw/zinc/45/31/25/672453125.db2.gz MHRQENCYXGYKTD-UHFFFAOYSA-N -1 1 368.723 2.464 20 0 FEADMM CC(C)S(=O)(=O)c1ccccc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183866401 672483192 /nfs/dbraw/zinc/48/31/92/672483192.db2.gz VXCHKWFXDCZDRA-UHFFFAOYSA-N -1 1 358.419 2.170 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000611192951 676024118 /nfs/dbraw/zinc/02/41/18/676024118.db2.gz ZCWPPEJFZMJLKF-UHFFFAOYSA-N -1 1 353.371 2.214 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1Cl ZINC000185104048 672519432 /nfs/dbraw/zinc/51/94/32/672519432.db2.gz HCKGNEAIZAZRDF-PWSUYJOCSA-N -1 1 372.874 2.250 20 0 FEADMM COCc1cc([N-]S(=O)(=O)c2cccc(OC)c2)cc(C(=O)OC)c1 ZINC000589966742 672551074 /nfs/dbraw/zinc/55/10/74/672551074.db2.gz LBWOVWCRWLEYHR-UHFFFAOYSA-N -1 1 365.407 2.429 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](n3ccnc3)C2)c(=O)[n-]1 ZINC000590734116 672606543 /nfs/dbraw/zinc/60/65/43/672606543.db2.gz YQJDPTKPPGIOPJ-CYBMUJFWSA-N -1 1 361.471 2.205 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@@]12CCCO2 ZINC000680977622 672618497 /nfs/dbraw/zinc/61/84/97/672618497.db2.gz STJTXZXIPSWNJM-GUTXKFCHSA-N -1 1 363.838 2.484 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc([O-])c(F)c1 ZINC000681066109 672626202 /nfs/dbraw/zinc/62/62/02/672626202.db2.gz NDJDNMQUESTIKM-SNVBAGLBSA-N -1 1 350.296 2.345 20 0 FEADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189981070 672628378 /nfs/dbraw/zinc/62/83/78/672628378.db2.gz NHRGCJTXXIDZKW-MRVPVSSYSA-N -1 1 358.236 2.429 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cnc(-c2ccco2)s1 ZINC000590960518 672636729 /nfs/dbraw/zinc/63/67/29/672636729.db2.gz HXIMHCURSUMVOJ-ZDUSSCGKSA-N -1 1 352.379 2.436 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)ccc1F ZINC000190991455 672656580 /nfs/dbraw/zinc/65/65/80/672656580.db2.gz IYMUYMQHJNOIPF-UHFFFAOYSA-N -1 1 352.387 2.464 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1[N-]S(C)(=O)=O ZINC000681772787 672695483 /nfs/dbraw/zinc/69/54/83/672695483.db2.gz YCTOUKSJGZAVLV-RISCZKNCSA-N -1 1 353.444 2.473 20 0 FEADMM CC(Nc1ccc2c[nH]nc2c1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000192697148 672698954 /nfs/dbraw/zinc/69/89/54/672698954.db2.gz LNDZOZMSKOOCEO-GXDHUFHOSA-N -1 1 357.439 2.148 20 0 FEADMM CC(Nc1ccc2cn[nH]c2c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192697148 672698955 /nfs/dbraw/zinc/69/89/55/672698955.db2.gz LNDZOZMSKOOCEO-GXDHUFHOSA-N -1 1 357.439 2.148 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000192730820 672699944 /nfs/dbraw/zinc/69/99/44/672699944.db2.gz NVRAFNAHQYIWEU-UHFFFAOYSA-N -1 1 350.440 2.195 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)NC(=O)OC(C)(C)C ZINC000192993423 672708480 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20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000593149764 672883439 /nfs/dbraw/zinc/88/34/39/672883439.db2.gz DYIZLMHFZMGUAH-MNOVXSKESA-N -1 1 351.403 2.283 20 0 FEADMM C[C@@H](C(=O)[O-])N(C(=O)c1[nH]nc2ccc(Br)cc21)C1CC1 ZINC000263550345 672935872 /nfs/dbraw/zinc/93/58/72/672935872.db2.gz KHLWEHCXROBEAS-ZETCQYMHSA-N -1 1 352.188 2.403 20 0 FEADMM Cn1nncc1S(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000684591792 672946937 /nfs/dbraw/zinc/94/69/37/672946937.db2.gz CZJONJZZQNCJHW-SNVBAGLBSA-N -1 1 372.731 2.190 20 0 FEADMM O=S(=O)([N-]CCCn1cncn1)c1c(Cl)cc(F)cc1Cl ZINC000684761116 672963138 /nfs/dbraw/zinc/96/31/38/672963138.db2.gz LARANJBFTHRXTL-UHFFFAOYSA-N -1 1 353.206 2.093 20 0 FEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000593636850 672966341 /nfs/dbraw/zinc/96/63/41/672966341.db2.gz WPSPOMOHRXCQMM-SSDOTTSWSA-N -1 1 362.181 2.312 20 0 FEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000593648986 672970399 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350.791 2.383 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820534238 675368133 /nfs/dbraw/zinc/36/81/33/675368133.db2.gz KLHLGTAQRALOHT-ZETCQYMHSA-N -1 1 350.791 2.383 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N(C)C(N)=O)c1 ZINC000568589583 675384429 /nfs/dbraw/zinc/38/44/29/675384429.db2.gz GNOHJXFTUBRISA-UHFFFAOYSA-N -1 1 369.424 2.070 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000615770857 676227131 /nfs/dbraw/zinc/22/71/31/676227131.db2.gz PXERYYHQLVWQGI-ZDUSSCGKSA-N -1 1 373.858 2.094 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)CCC)cc2)[nH]n1 ZINC000568911277 675409456 /nfs/dbraw/zinc/40/94/56/675409456.db2.gz KYSQGXRNCGFFQG-UHFFFAOYSA-N -1 1 371.484 2.347 20 0 FEADMM COCCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826156582 675683683 /nfs/dbraw/zinc/68/36/83/675683683.db2.gz KWCYMEGKESXNMR-UHFFFAOYSA-N -1 1 353.448 2.217 20 0 FEADMM COCCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826156582 675683686 /nfs/dbraw/zinc/68/36/86/675683686.db2.gz KWCYMEGKESXNMR-UHFFFAOYSA-N -1 1 353.448 2.217 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826345532 675686582 /nfs/dbraw/zinc/68/65/82/675686582.db2.gz NBUDYAJVFYRIOT-ZETCQYMHSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826345532 675686584 /nfs/dbraw/zinc/68/65/84/675686584.db2.gz NBUDYAJVFYRIOT-ZETCQYMHSA-N -1 1 364.768 2.376 20 0 FEADMM O=C(Nc1nc(-c2cccs2)ns1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826460239 675688646 /nfs/dbraw/zinc/68/86/46/675688646.db2.gz SZXONKZVAZREAN-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM O=C(Nc1nc(-c2cccs2)ns1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826460239 675688647 /nfs/dbraw/zinc/68/86/47/675688647.db2.gz SZXONKZVAZREAN-UHFFFAOYSA-N -1 1 356.396 2.094 20 0 FEADMM CCCN(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C1CCN(C(=O)[O-])CC1 ZINC000826867275 675711391 /nfs/dbraw/zinc/71/13/91/675711391.db2.gz UZWONEXMNHQRBK-LBPRGKRZSA-N -1 1 351.451 2.213 20 0 FEADMM C[C@H]1SCC[C@@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000827649538 675770677 /nfs/dbraw/zinc/77/06/77/675770677.db2.gz JFSMEMGYUQTRAN-SVNGYHJRSA-N -1 1 367.437 2.367 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1cccnc1Cl ZINC000827714306 675774629 /nfs/dbraw/zinc/77/46/29/675774629.db2.gz BLCUCHBXXYMCQF-UHFFFAOYSA-N -1 1 359.817 2.349 20 0 FEADMM CCCc1cc(=O)[n-]c(SCCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000605364334 675811611 /nfs/dbraw/zinc/81/16/11/675811611.db2.gz SWUXCISLEGSDCF-UHFFFAOYSA-N -1 1 350.444 2.091 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1csc(Cc2ccccc2)n1 ZINC000605381769 675812360 /nfs/dbraw/zinc/81/23/60/675812360.db2.gz VGAVQRKEPSDXGE-UHFFFAOYSA-N -1 1 354.439 2.446 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC2(O)CCCC2)c1 ZINC000605399491 675812763 /nfs/dbraw/zinc/81/27/63/675812763.db2.gz ALQMMGAMKPHFQP-UHFFFAOYSA-N -1 1 370.471 2.056 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000828722317 675839428 /nfs/dbraw/zinc/83/94/28/675839428.db2.gz NWKAHKDXHGXTQH-GOSISDBHSA-N -1 1 352.419 2.290 20 0 FEADMM COc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c(OC)n1 ZINC000607881222 675875977 /nfs/dbraw/zinc/87/59/77/675875977.db2.gz PBEFDPQMYBTOPX-UHFFFAOYSA-N -1 1 356.375 2.059 20 0 FEADMM COCCS(=O)(=O)[N-]c1nc2ccccc2n1-c1cccc(OC)c1 ZINC000608258314 675887665 /nfs/dbraw/zinc/88/76/65/675887665.db2.gz LHMNSVPWNTVEFE-UHFFFAOYSA-N -1 1 361.423 2.422 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000608342343 675889113 /nfs/dbraw/zinc/88/91/13/675889113.db2.gz GOINZWQGVAHENW-UHFFFAOYSA-N -1 1 352.387 2.011 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC12COC2 ZINC000615938758 676234347 /nfs/dbraw/zinc/23/43/47/676234347.db2.gz USSFLKRJNQNNNF-UHFFFAOYSA-N -1 1 358.419 2.102 20 0 FEADMM CS(=O)(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1C(F)(F)F ZINC000617455814 676286548 /nfs/dbraw/zinc/28/65/48/676286548.db2.gz HTYCKFAOUAHLNN-MWLCHTKSSA-N -1 1 371.764 2.093 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C(C)(C)C2)o1 ZINC000617520392 676290262 /nfs/dbraw/zinc/29/02/62/676290262.db2.gz RRVALXMADPRZGC-UHFFFAOYSA-N -1 1 362.451 2.164 20 0 FEADMM CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000617528711 676290655 /nfs/dbraw/zinc/29/06/55/676290655.db2.gz YDUPNWDNXZGDFD-MPKXVKKWSA-N -1 1 372.259 2.451 20 0 FEADMM COc1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc(Cl)c1[O-] ZINC000617528792 676290886 /nfs/dbraw/zinc/29/08/86/676290886.db2.gz ZDBOABCXPDCYTG-SCDSUCTJSA-N -1 1 357.834 2.350 20 0 FEADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CS1(=O)=O ZINC000618326474 676333572 /nfs/dbraw/zinc/33/35/72/676333572.db2.gz UMUASJMYGCIMDJ-SCZZXKLOSA-N -1 1 351.346 2.107 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1N ZINC000619855755 676397427 /nfs/dbraw/zinc/39/74/27/676397427.db2.gz NVXTVROTALWNFJ-UHFFFAOYSA-N -1 1 354.359 2.004 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1csc([C@H]2CCCO2)n1 ZINC000677402862 679679539 /nfs/dbraw/zinc/67/95/39/679679539.db2.gz GXUPYJXVCODXRD-CHWSQXEVSA-N -1 1 356.411 2.027 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000620256724 676411963 /nfs/dbraw/zinc/41/19/63/676411963.db2.gz MQVLXMRDFJWGIM-NSHDSACASA-N -1 1 356.344 2.496 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)O)c(=O)[n-]1 ZINC000620982169 676436687 /nfs/dbraw/zinc/43/66/87/676436687.db2.gz FFFGITWEALSUNM-MLGOLLRUSA-N -1 1 361.467 2.383 20 0 FEADMM CC1CCC(O)(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000621094896 676439873 /nfs/dbraw/zinc/43/98/73/676439873.db2.gz JLEYDCOHUMWGBZ-UHFFFAOYSA-N -1 1 372.487 2.027 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CC(C(=O)[O-])C1)c1ccccc1Cl ZINC000621828441 676476553 /nfs/dbraw/zinc/47/65/53/676476553.db2.gz BMTZYZMLUHQFDY-HNNXBMFYSA-N -1 1 353.850 2.449 20 0 FEADMM Cc1cc(Br)oc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000622610413 676502910 /nfs/dbraw/zinc/50/29/10/676502910.db2.gz UXMHTGIXKKOOJS-LLVKDONJSA-N -1 1 362.187 2.383 20 0 FEADMM Cc1nc(C2CCCC2)sc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622870996 676509118 /nfs/dbraw/zinc/50/91/18/676509118.db2.gz NUJQRWRLVOXYRR-UHFFFAOYSA-N -1 1 358.427 2.401 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)C3(Cc4ccc(Cl)cc4)CC3)nc2n1 ZINC000622870670 676509121 /nfs/dbraw/zinc/50/91/21/676509121.db2.gz CEJIURFTSFFNCD-UHFFFAOYSA-N -1 1 357.801 2.341 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3sc(C)nc3CC(C)C)nc2n1 ZINC000622994023 676514554 /nfs/dbraw/zinc/51/45/54/676514554.db2.gz BIDIGRIPHDOTSK-UHFFFAOYSA-N -1 1 360.443 2.196 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cncc(OC(C)C)c1)c1ccc(C)o1 ZINC000625040294 676612766 /nfs/dbraw/zinc/61/27/66/676612766.db2.gz JJALDAADVAXUSP-OAHLLOKOSA-N -1 1 354.428 2.436 20 0 FEADMM C[C@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625370794 676643257 /nfs/dbraw/zinc/64/32/57/676643257.db2.gz IQIPSNIPQOWORU-WGEPELCKSA-N -1 1 365.373 2.018 20 0 FEADMM O=c1ccc([C@@H]2OCC[C@H]2[N-]S(=O)(=O)c2sccc2Cl)c[nH]1 ZINC000625542983 676655219 /nfs/dbraw/zinc/65/52/19/676655219.db2.gz NQDPVRLJOKJCHE-PWSUYJOCSA-N -1 1 360.844 2.311 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccncc1)c1ncccc1C(F)(F)F ZINC000625550755 676656394 /nfs/dbraw/zinc/65/63/94/676656394.db2.gz DUFLKVLLCFGWBP-OLZOCXBDSA-N -1 1 373.356 2.304 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCc2ccccc2)C(F)F)co1 ZINC000628759528 676817437 /nfs/dbraw/zinc/81/74/37/676817437.db2.gz UFERLYXIMNRUGE-CYBMUJFWSA-N -1 1 372.393 2.184 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 ZINC000629330078 676847361 /nfs/dbraw/zinc/84/73/61/676847361.db2.gz OUILDWJXRUXALE-NSHDSACASA-N -1 1 364.379 2.038 20 0 FEADMM CSc1ccc(OC[C@@H](O)CN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000629365801 676851922 /nfs/dbraw/zinc/85/19/22/676851922.db2.gz FYPYUDMHCVEIFG-YVEFUNNKSA-N -1 1 363.435 2.425 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629496718 676857133 /nfs/dbraw/zinc/85/71/33/676857133.db2.gz VLPJRTHBHZILOZ-SMDDNHRTSA-N -1 1 354.834 2.007 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCCc2cc(F)ccc2F)CC1 ZINC000630220127 676887567 /nfs/dbraw/zinc/88/75/67/676887567.db2.gz MLLLEKOIOZZBBF-ZDUSSCGKSA-N -1 1 354.397 2.295 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630225160 676888317 /nfs/dbraw/zinc/88/83/17/676888317.db2.gz GVJRDOBFUFUVRP-LLVKDONJSA-N -1 1 372.824 2.254 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000631656999 676950402 /nfs/dbraw/zinc/95/04/02/676950402.db2.gz NKYICHZHSVCTHT-AWEZNQCLSA-N -1 1 366.439 2.109 20 0 FEADMM COc1cc([C@@H](C)[N-]S(=O)(=O)c2conc2C)cc(OC)c1OC ZINC000631754875 676955532 /nfs/dbraw/zinc/95/55/32/676955532.db2.gz SGYSZOPQURCORV-SECBINFHSA-N -1 1 356.400 2.048 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]CCCC(=O)N2CCc3ccccc32)sn1 ZINC000631945504 676965809 /nfs/dbraw/zinc/96/58/09/676965809.db2.gz AIHFDJJGGQGSOS-UHFFFAOYSA-N -1 1 365.480 2.099 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)sn1 ZINC000632160609 676979071 /nfs/dbraw/zinc/97/90/71/676979071.db2.gz HMKPXQIDVHDJRM-DZGCQCFKSA-N -1 1 373.450 2.453 20 0 FEADMM CCCCn1cc(CNS(=O)(=O)c2cc(OC)ccc2[O-])c(C)n1 ZINC000632179031 676980064 /nfs/dbraw/zinc/98/00/64/676980064.db2.gz IAUISDULJFBUGI-UHFFFAOYSA-N -1 1 353.444 2.184 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)sn1 ZINC000632255925 676984052 /nfs/dbraw/zinc/98/40/52/676984052.db2.gz HHSQIVBEHSNGOT-GXSJLCMTSA-N -1 1 358.407 2.213 20 0 FEADMM C[C@H](OCc1ccncc1)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000632292648 676986287 /nfs/dbraw/zinc/98/62/87/676986287.db2.gz NXULUHVFFIDTLL-NSHDSACASA-N -1 1 367.402 2.136 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000632338194 676988985 /nfs/dbraw/zinc/98/89/85/676988985.db2.gz ADNQNXNPHGRFQP-LBPRGKRZSA-N -1 1 371.842 2.109 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000632428418 676993609 /nfs/dbraw/zinc/99/36/09/676993609.db2.gz IBNDEDAZEJNDNP-QMMMGPOBSA-N -1 1 356.249 2.320 20 0 FEADMM O=S(=O)([N-]Cc1nc(C(F)F)no1)c1sccc1Br ZINC000632481258 676997008 /nfs/dbraw/zinc/99/70/08/676997008.db2.gz LWLKUOSPXJJBHT-UHFFFAOYSA-N -1 1 374.188 2.310 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@H](O)C(F)(F)F ZINC000632676319 677009890 /nfs/dbraw/zinc/00/98/90/677009890.db2.gz IGDJPDZYDTXDLP-FFWSUHOLSA-N -1 1 357.297 2.357 20 0 FEADMM CN(Cc1cc(Br)ccc1Cl)C(=O)CCc1nn[n-]n1 ZINC000632757642 677013937 /nfs/dbraw/zinc/01/39/37/677013937.db2.gz XYKHPZSXTKFMNW-UHFFFAOYSA-N -1 1 358.627 2.207 20 0 FEADMM O=C(c1c(F)cncc1Br)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000632881904 677019615 /nfs/dbraw/zinc/01/96/15/677019615.db2.gz VRDJOBCFKPKLFY-UHFFFAOYSA-N -1 1 371.166 2.092 20 0 FEADMM CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000830227198 677031137 /nfs/dbraw/zinc/03/11/37/677031137.db2.gz CDIZZEZQDAOZGW-UHFFFAOYSA-N -1 1 358.391 2.375 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000830476743 677041891 /nfs/dbraw/zinc/04/18/91/677041891.db2.gz UMMRALCPUIPCNF-BDAKNGLRSA-N -1 1 365.377 2.442 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccc(Cl)cc1 ZINC000830690046 677055215 /nfs/dbraw/zinc/05/52/15/677055215.db2.gz FUHFDCKGMWRTBF-SNVBAGLBSA-N -1 1 350.227 2.383 20 0 FEADMM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000830778807 677059995 /nfs/dbraw/zinc/05/99/95/677059995.db2.gz OGXBWNFRFSPZCK-CHWSQXEVSA-N -1 1 353.431 2.463 20 0 FEADMM C[C@H]1CCCc2ncc(C(=O)N3CC[C@](C)([N-]C(=O)C(F)(F)F)C3)n21 ZINC000830795472 677061131 /nfs/dbraw/zinc/06/11/31/677061131.db2.gz LCEIPLNTYPVRRX-BONVTDFDSA-N -1 1 358.364 2.064 20 0 FEADMM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2c(F)cc(F)cc2F)CCOC1 ZINC000634789420 677082467 /nfs/dbraw/zinc/08/24/67/677082467.db2.gz NDLAAZLNAKFZAI-AWEZNQCLSA-N -1 1 353.362 2.430 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)C[C@@]3(OC(C)C)CCOC3)ccc12 ZINC000634790886 677082498 /nfs/dbraw/zinc/08/24/98/677082498.db2.gz BBMNKQALCHNCDA-MRXNPFEDSA-N -1 1 353.444 2.197 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)C[C@@]3(OC(C)C)CCOC3)ccc12 ZINC000634790886 677082499 /nfs/dbraw/zinc/08/24/99/677082499.db2.gz BBMNKQALCHNCDA-MRXNPFEDSA-N -1 1 353.444 2.197 20 0 FEADMM Cc1c([N-]S(=O)(=O)CCOCC2CCC2)cnn1C1CCOCC1 ZINC000634792822 677082763 /nfs/dbraw/zinc/08/27/63/677082763.db2.gz JGKTXFIGTMUXPK-UHFFFAOYSA-N -1 1 357.476 2.101 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(Cc2cc(O)c(OC)cc2Br)C1 ZINC000635316025 677095284 /nfs/dbraw/zinc/09/52/84/677095284.db2.gz AUHCFQIDVYLNIL-HNNXBMFYSA-N -1 1 374.231 2.086 20 0 FEADMM COC[C@H](NC(=O)CCCc1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000635592661 677102604 /nfs/dbraw/zinc/10/26/04/677102604.db2.gz DSEOWOQUHKCBSR-LBPRGKRZSA-N -1 1 357.336 2.045 20 0 FEADMM Cc1ccc(CCN(CC(F)(F)F)C(=O)CCCc2nn[n-]n2)cc1 ZINC000635615173 677103204 /nfs/dbraw/zinc/10/32/04/677103204.db2.gz IHKNDHBMPMOGDK-UHFFFAOYSA-N -1 1 355.364 2.464 20 0 FEADMM O=C(CCCc1nn[n-]n1)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000635914695 677110070 /nfs/dbraw/zinc/11/00/70/677110070.db2.gz MRZOTMPBOOECCU-OAHLLOKOSA-N -1 1 363.849 2.460 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000636061420 677112773 /nfs/dbraw/zinc/11/27/73/677112773.db2.gz BBQPVKOIHTVVHA-LLVKDONJSA-N -1 1 358.833 2.331 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000639726802 677164597 /nfs/dbraw/zinc/16/45/97/677164597.db2.gz HAQJKUGCRMLLFR-RKDXNWHRSA-N -1 1 367.349 2.139 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)C[C@H]1COc2ccccc2O1)c1ccc(C)o1 ZINC000641366346 677203013 /nfs/dbraw/zinc/20/30/13/677203013.db2.gz XDRQOWRYYJQMHY-KGLIPLIRSA-N -1 1 367.423 2.035 20 0 FEADMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2=O ZINC000641695064 677214262 /nfs/dbraw/zinc/21/42/62/677214262.db2.gz BXRYPQLITPOTGA-JKSUJKDBSA-N -1 1 352.456 2.014 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3cnn(C)c3c2)c(F)c1 ZINC000643211905 677224422 /nfs/dbraw/zinc/22/44/22/677224422.db2.gz STQOAPZQKQDMKB-UHFFFAOYSA-N -1 1 367.377 2.339 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000644249222 677240464 /nfs/dbraw/zinc/24/04/64/677240464.db2.gz QVUHBBCKWAACHL-NSHDSACASA-N -1 1 367.858 2.372 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1ncccc1C(F)(F)F ZINC000645459014 677260427 /nfs/dbraw/zinc/26/04/27/677260427.db2.gz ANXMBCNWZYUBLM-UHFFFAOYSA-N -1 1 374.388 2.154 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCCC[C@H]1O ZINC000645579712 677264731 /nfs/dbraw/zinc/26/47/31/677264731.db2.gz XIMAPQQLOMRMIH-DGCLKSJQSA-N -1 1 352.378 2.320 20 0 FEADMM O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1cc(Cl)ccc1[O-] ZINC000646161194 677280251 /nfs/dbraw/zinc/28/02/51/677280251.db2.gz RYNSCEURICWNDE-LLVKDONJSA-N -1 1 350.806 2.071 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000647129859 677295907 /nfs/dbraw/zinc/29/59/07/677295907.db2.gz GAFGSIWEHXMHEZ-UHFFFAOYSA-N -1 1 362.358 2.060 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1)C1CCOCC1 ZINC000647130835 677295950 /nfs/dbraw/zinc/29/59/50/677295950.db2.gz MECODCCVJWDMIJ-MLGOLLRUSA-N -1 1 357.476 2.037 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[nH]nc1C(C)C ZINC000647279056 677299529 /nfs/dbraw/zinc/29/95/29/677299529.db2.gz GONTWQUJDOWMML-UHFFFAOYSA-N -1 1 371.484 2.354 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000647924446 677308697 /nfs/dbraw/zinc/30/86/97/677308697.db2.gz RGTZQWSKRLZNLJ-UHFFFAOYSA-N -1 1 368.312 2.495 20 0 FEADMM C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000838450896 680693267 /nfs/dbraw/zinc/69/32/67/680693267.db2.gz RBKJILCRIBCAOX-CLFYSBASSA-N -1 1 357.288 2.154 20 0 FEADMM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)N1CCCOCC1 ZINC000650200538 677359932 /nfs/dbraw/zinc/35/99/32/677359932.db2.gz OKJGGRVTCMFSQV-UHFFFAOYSA-N -1 1 370.862 2.213 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](C)OCC23CCC3)c(=O)[n-]1 ZINC000650737658 677387968 /nfs/dbraw/zinc/38/79/68/677387968.db2.gz XHONJIHILOHCHY-LLVKDONJSA-N -1 1 351.472 2.315 20 0 FEADMM CC(C)Cc1ncc(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000650791657 677389547 /nfs/dbraw/zinc/38/95/47/677389547.db2.gz MRSSVENDZYXPJE-CYBMUJFWSA-N -1 1 365.499 2.239 20 0 FEADMM CC[C@H]1CN(CC)CCN1C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000652052343 677468864 /nfs/dbraw/zinc/46/88/64/677468864.db2.gz SFQBOVJOUUVTEA-HNNXBMFYSA-N -1 1 359.499 2.499 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC([C@@H](C)CO)CC2)c(=O)[n-]1 ZINC000652865869 677503786 /nfs/dbraw/zinc/50/37/86/677503786.db2.gz KJUDWXRYWGSTKB-NSHDSACASA-N -1 1 353.488 2.012 20 0 FEADMM Cn1nccc1[C@@H]1COCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000652985528 677509662 /nfs/dbraw/zinc/50/96/62/677509662.db2.gz PUWLEPSPFFJBLI-ZDUSSCGKSA-N -1 1 366.215 2.102 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](OC)c1ccccc1Br)c1nn[n-]n1 ZINC000654871687 677609881 /nfs/dbraw/zinc/60/98/81/677609881.db2.gz SVWICICGIMTXGI-VXGBXAGGSA-N -1 1 368.235 2.307 20 0 FEADMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCCCO1 ZINC000655032597 677618928 /nfs/dbraw/zinc/61/89/28/677618928.db2.gz KEJXNOXUCFLPLR-QGZVFWFLSA-N -1 1 368.455 2.074 20 0 FEADMM CC(C)n1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cn1 ZINC000655661733 677658890 /nfs/dbraw/zinc/65/88/90/677658890.db2.gz HLOPUTQLJMFLAW-CMPLNLGQSA-N -1 1 355.382 2.242 20 0 FEADMM CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC000655903063 677671159 /nfs/dbraw/zinc/67/11/59/677671159.db2.gz WYPNCQMYXNLYAR-WISYIIOYSA-N -1 1 351.451 2.424 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1)C1CCCC1 ZINC000656615573 677783196 /nfs/dbraw/zinc/78/31/96/677783196.db2.gz JNCRFAJURXUMCA-INIZCTEOSA-N -1 1 354.472 2.335 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)nnn2C)C1CCCCC1 ZINC000656630799 677795346 /nfs/dbraw/zinc/79/53/46/677795346.db2.gz CQCQLIORUGHZIL-INIZCTEOSA-N -1 1 352.460 2.305 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)CCNC2=O)C1CCCCC1 ZINC000656632967 677797054 /nfs/dbraw/zinc/79/70/54/677797054.db2.gz OGUWQKSSBMHGHQ-QGZVFWFLSA-N -1 1 366.483 2.310 20 0 FEADMM CC(C)[C@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)C(=O)[O-] ZINC000656855579 677835916 /nfs/dbraw/zinc/83/59/16/677835916.db2.gz ODWBUMCDOAJZBX-SWLSCSKDSA-N -1 1 357.248 2.096 20 0 FEADMM CC[C@@H](C)N(CC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657031276 677917246 /nfs/dbraw/zinc/91/72/46/677917246.db2.gz QXASSKXAILCNGD-SNVBAGLBSA-N -1 1 352.453 2.006 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(OC)c(Cl)c2)o1 ZINC000762105978 680740789 /nfs/dbraw/zinc/74/07/89/680740789.db2.gz OZMLNBRJWZKSGV-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)nc3sccn32)n[nH]1 ZINC000762535287 680752875 /nfs/dbraw/zinc/75/28/75/680752875.db2.gz YNQOYUAFCAXFLJ-SSDOTTSWSA-N -1 1 374.879 2.330 20 0 FEADMM CCN(CCS(=O)(=O)c1cccc(OC)c1)C1CCC(C(=O)[O-])CC1 ZINC000659792031 678207053 /nfs/dbraw/zinc/20/70/53/678207053.db2.gz XZPBIFQLTOAAGS-UHFFFAOYSA-N -1 1 369.483 2.434 20 0 FEADMM Cc1cccc(-n2nnnc2SCCC[N-]C(=O)C(F)(F)F)c1C ZINC000762773686 680761321 /nfs/dbraw/zinc/76/13/21/680761321.db2.gz UFSZFMIXOFKCBN-UHFFFAOYSA-N -1 1 359.377 2.440 20 0 FEADMM CCCC[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)CC)C(=O)OC ZINC000762805615 680762029 /nfs/dbraw/zinc/76/20/29/680762029.db2.gz QOXYOSAYCQJADE-AWEZNQCLSA-N -1 1 357.428 2.337 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)[C@@H](C)c2ccccc2)c(F)c1 ZINC000660110173 678284420 /nfs/dbraw/zinc/28/44/20/678284420.db2.gz JPFXJOYKVFNUNG-MEDUHNTESA-N -1 1 371.405 2.416 20 0 FEADMM N[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccc(Br)c1 ZINC000763040766 680769771 /nfs/dbraw/zinc/76/97/71/680769771.db2.gz KWAVPYBWBRPKLR-QMTHXVAHSA-N -1 1 355.232 2.162 20 0 FEADMM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763280948 680778342 /nfs/dbraw/zinc/77/83/42/680778342.db2.gz OESMXAGICIYZRL-UHFFFAOYSA-N -1 1 370.358 2.056 20 0 FEADMM C[C@@H](C(=O)NCCc1cccs1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222117 678592745 /nfs/dbraw/zinc/59/27/45/678592745.db2.gz LUHBPCCHRBIKMC-GUYCJALGSA-N -1 1 358.463 2.479 20 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ZINC000046538472 540261988 /nfs/dbraw/zinc/26/19/88/540261988.db2.gz ONZIIKNOHSYBSP-UHFFFAOYSA-N -1 1 370.438 2.365 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(O)(Cc2ccncc2)CC1 ZINC000535837069 540519378 /nfs/dbraw/zinc/51/93/78/540519378.db2.gz UFEBSFVYXQAKEB-UHFFFAOYSA-N -1 1 358.467 2.322 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000053577585 540544121 /nfs/dbraw/zinc/54/41/21/540544121.db2.gz PWXKPQPCQLQUKO-UHFFFAOYSA-N -1 1 368.842 2.226 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)o1 ZINC000055459923 540654574 /nfs/dbraw/zinc/65/45/74/540654574.db2.gz AEYYGKJUZHFVJV-NSHDSACASA-N -1 1 370.814 2.095 20 0 FEADMM O=S(=O)([N-]c1ccccc1Cn1cncn1)c1ccc(F)c(F)c1 ZINC000055686745 540670759 /nfs/dbraw/zinc/67/07/59/540670759.db2.gz ZGZAIKFFCMMSJQ-UHFFFAOYSA-N -1 1 350.350 2.405 20 0 FEADMM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1cc(F)ccc1F ZINC000056060223 540697738 /nfs/dbraw/zinc/69/77/38/540697738.db2.gz OPYMETZXRQIIED-UHFFFAOYSA-N -1 1 353.394 2.307 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1C(N)=O ZINC000057120290 540769195 /nfs/dbraw/zinc/76/91/95/540769195.db2.gz JNLDLCJFJJWPGH-UHFFFAOYSA-N -1 1 374.447 2.413 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000057120284 540769306 /nfs/dbraw/zinc/76/93/06/540769306.db2.gz XKOVYPWDDQCCJV-UHFFFAOYSA-N -1 1 374.447 2.366 20 0 FEADMM O=C(CNC(=O)c1ccc(Br)cc1[O-])NC1CCCCC1 ZINC000057557628 540802537 /nfs/dbraw/zinc/80/25/37/540802537.db2.gz ZRORWWDTXVALPL-UHFFFAOYSA-N -1 1 355.232 2.333 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000057784197 540815309 /nfs/dbraw/zinc/81/53/09/540815309.db2.gz YTVPAOKTGCJGAE-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM O=S(=O)([N-]c1cccc2c1CCCC2)c1cccc(-n2cnnn2)c1 ZINC000060060238 540867417 /nfs/dbraw/zinc/86/74/17/540867417.db2.gz NVGXVJDQFFAADG-UHFFFAOYSA-N -1 1 355.423 2.342 20 0 FEADMM O=C(Cn1cccn1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000060644771 541119679 /nfs/dbraw/zinc/11/96/79/541119679.db2.gz DKGMBQGTRRWMRU-UHFFFAOYSA-N -1 1 356.407 2.323 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C)c3c[nH]nc32)cc1C(=O)[O-] ZINC000063635310 541176151 /nfs/dbraw/zinc/17/61/51/541176151.db2.gz PMSJVTJSUIQYGG-UHFFFAOYSA-N -1 1 361.379 2.379 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000063886553 541190448 /nfs/dbraw/zinc/19/04/48/541190448.db2.gz GPTPKRMANUMPSY-UHFFFAOYSA-N -1 1 367.448 2.235 20 0 FEADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)C1CC1 ZINC000063728896 541182260 /nfs/dbraw/zinc/18/22/60/541182260.db2.gz DDKCFEPRAUZTGS-UHFFFAOYSA-N -1 1 374.418 2.451 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000063740100 541182485 /nfs/dbraw/zinc/18/24/85/541182485.db2.gz GQIUFEIVOAXRHH-UHFFFAOYSA-N -1 1 361.379 2.053 20 0 FEADMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000064478983 541207161 /nfs/dbraw/zinc/20/71/61/541207161.db2.gz RKMILFULIYUXNH-UHFFFAOYSA-N -1 1 362.363 2.080 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000065842530 541265827 /nfs/dbraw/zinc/26/58/27/541265827.db2.gz OUGPJEJBJZRPEX-UHFFFAOYSA-N -1 1 371.422 2.281 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)ccc1C ZINC000066588219 541341765 /nfs/dbraw/zinc/34/17/65/541341765.db2.gz YZGCZRAAODWEBJ-UHFFFAOYSA-N -1 1 374.418 2.420 20 0 FEADMM Cn1c(CNC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)n[n-]c1=S ZINC000066625369 541349627 /nfs/dbraw/zinc/34/96/27/541349627.db2.gz WDFJOWJURACRRP-UHFFFAOYSA-N -1 1 369.491 2.131 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000542199596 541356161 /nfs/dbraw/zinc/35/61/61/541356161.db2.gz AKJAEDGNXSVKIQ-UHFFFAOYSA-N -1 1 372.425 2.331 20 0 FEADMM CC(C)n1c(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)n[n-]c1=S ZINC000066649997 541355013 /nfs/dbraw/zinc/35/50/13/541355013.db2.gz DGPSFINJBMMZAQ-UHFFFAOYSA-N -1 1 372.454 2.321 20 0 FEADMM CC(C)(C)n1cnc(=NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)[n-]1 ZINC000542432757 541403899 /nfs/dbraw/zinc/40/38/99/541403899.db2.gz BINLCLCZAXSOEL-UHFFFAOYSA-N -1 1 358.381 2.279 20 0 FEADMM COc1ccc(OCCCC(=O)NCCc2n[n-]c(=S)n2C)cc1 ZINC000067050985 541411045 /nfs/dbraw/zinc/41/10/45/541411045.db2.gz QTVRASOFTRMLCT-UHFFFAOYSA-N -1 1 350.444 2.004 20 0 FEADMM C[C@@]1(C(=O)NCc2n[n-]c(=S)n2C2CC2)Cc2ccccc2C(=O)O1 ZINC000067070251 541413370 /nfs/dbraw/zinc/41/33/70/541413370.db2.gz ACYBRFMAPSVHBW-KRWDZBQOSA-N -1 1 358.423 2.064 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@H](C)NC(=O)OC(C)(C)C)n[n-]c1=S ZINC000067073085 541413985 /nfs/dbraw/zinc/41/39/85/541413985.db2.gz SNRWXWIOXOJKIJ-JTQLQIEISA-N -1 1 357.480 2.093 20 0 FEADMM CC(C)n1c(CCNC(=O)C[C@H]2OC(=O)c3ccccc32)n[n-]c1=S ZINC000067073198 541414220 /nfs/dbraw/zinc/41/42/20/541414220.db2.gz MNFUMWXDVGMBHL-CYBMUJFWSA-N -1 1 360.439 2.482 20 0 FEADMM CCn1c(CCNC(=O)C=Cc2ccc(OC)c(OC)c2)n[n-]c1=S ZINC000067076030 541414493 /nfs/dbraw/zinc/41/44/93/541414493.db2.gz HEOIKNGBSDIJJG-SOFGYWHQSA-N -1 1 362.455 2.350 20 0 FEADMM C=C1c2ccccc2C(=O)N1CC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078543 541414501 /nfs/dbraw/zinc/41/45/01/541414501.db2.gz HKBPRYSYDGZRQB-UHFFFAOYSA-N -1 1 369.450 2.061 20 0 FEADMM O=C(CCCNC(=O)c1ccccc1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078552 541414619 /nfs/dbraw/zinc/41/46/19/541414619.db2.gz ISVDIERJFIMMHE-UHFFFAOYSA-N -1 1 373.482 2.144 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(CC)c(S(N)(=O)=O)c2)cc1 ZINC000067124718 541420247 /nfs/dbraw/zinc/42/02/47/541420247.db2.gz JUJJFEDDAATIFZ-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1 ZINC000071092307 541763526 /nfs/dbraw/zinc/76/35/26/541763526.db2.gz DRJUXYUDHUTLFZ-UHFFFAOYSA-N -1 1 371.422 2.417 20 0 FEADMM COc1cc(NC(=O)c2cc(C(C)C)no2)ccc1[N-]S(C)(=O)=O ZINC000071107489 541764150 /nfs/dbraw/zinc/76/41/50/541764150.db2.gz YENGURNAVLLSLG-UHFFFAOYSA-N -1 1 353.400 2.430 20 0 FEADMM Cc1ccc(-n2cc([O-])c(C(=O)OCc3nsc(N(C)C)n3)n2)cc1 ZINC000801369654 674124342 /nfs/dbraw/zinc/12/43/42/674124342.db2.gz UWMYKODQBNHQMZ-UHFFFAOYSA-N -1 1 359.411 2.161 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)OCc3nnsc3Cl)n2)cc1 ZINC000801365895 674124404 /nfs/dbraw/zinc/12/44/04/674124404.db2.gz YFSLMXYVOSEVEE-UHFFFAOYSA-N -1 1 366.786 2.448 20 0 FEADMM COCc1nc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])no1 ZINC000801360812 674124409 /nfs/dbraw/zinc/12/44/09/674124409.db2.gz OXUOKXRSJBOVLH-UHFFFAOYSA-N -1 1 364.745 2.118 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1-n1cnnn1 ZINC000016100893 220178089 /nfs/dbraw/zinc/17/80/89/220178089.db2.gz RYLNGWODJYBXKS-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000018994716 220234490 /nfs/dbraw/zinc/23/44/90/220234490.db2.gz GBVGVOWECRDXLR-UHFFFAOYSA-N -1 1 366.464 2.014 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)o1 ZINC000073314450 541942819 /nfs/dbraw/zinc/94/28/19/541942819.db2.gz RMFMJBMNJWCBFO-UHFFFAOYSA-N -1 1 352.412 2.237 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[nH]1)CCC2 ZINC000073555338 541964672 /nfs/dbraw/zinc/96/46/72/541964672.db2.gz NRKOGUBDMFWEAQ-UHFFFAOYSA-N -1 1 350.378 2.234 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)c1cc(C)c3c(=O)[nH]c(=O)nc-3[n-]1)CCC2 ZINC000073555338 541964677 /nfs/dbraw/zinc/96/46/77/541964677.db2.gz NRKOGUBDMFWEAQ-UHFFFAOYSA-N -1 1 350.378 2.234 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)Cc1ccc(Br)s1 ZINC000073942219 542016592 /nfs/dbraw/zinc/01/65/92/542016592.db2.gz CAXLIEKRWFSZRO-UHFFFAOYSA-N -1 1 361.290 2.432 20 0 FEADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000074273450 542062477 /nfs/dbraw/zinc/06/24/77/542062477.db2.gz UJKHWTRECNJQSX-UHFFFAOYSA-N -1 1 364.405 2.448 20 0 FEADMM CC[C@](C)(O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075226018 542161164 /nfs/dbraw/zinc/16/11/64/542161164.db2.gz MSHQLLJLSVCDHQ-SFHVURJKSA-N -1 1 362.451 2.378 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCCC1 ZINC000075505838 542182766 /nfs/dbraw/zinc/18/27/66/542182766.db2.gz SUJRJKVESVRPTO-OAHLLOKOSA-N -1 1 357.410 2.165 20 0 FEADMM COc1ccc(O[C@H](C)CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000075506991 542183231 /nfs/dbraw/zinc/18/32/31/542183231.db2.gz HBENIRWYSKBRGW-GFCCVEGCSA-N -1 1 353.378 2.129 20 0 FEADMM O=C(NCCS(=O)(=O)CC1CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000801634740 674141138 /nfs/dbraw/zinc/14/11/38/674141138.db2.gz SSJOWMCLZQVFEJ-UHFFFAOYSA-N -1 1 368.842 2.148 20 0 FEADMM CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077389028 542377337 /nfs/dbraw/zinc/37/73/37/542377337.db2.gz NMIQFOXKMQYHRN-UHFFFAOYSA-N -1 1 352.453 2.054 20 0 FEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000055567607 221071370 /nfs/dbraw/zinc/07/13/70/221071370.db2.gz LDFYDLPQNPJQGD-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000064467839 221147593 /nfs/dbraw/zinc/14/75/93/221147593.db2.gz DPHWCQDWNPJIMO-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094015248 542947448 /nfs/dbraw/zinc/94/74/48/542947448.db2.gz JSTKOSBJPAEXFC-GFCCVEGCSA-N -1 1 353.216 2.038 20 0 FEADMM O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000101579582 543035788 /nfs/dbraw/zinc/03/57/88/543035788.db2.gz PEQUGNWLNXFSDK-UHFFFAOYSA-N -1 1 364.389 2.079 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(CCO)Cc1ccccc1 ZINC000101638888 543038229 /nfs/dbraw/zinc/03/82/29/543038229.db2.gz WGBDXOMYBHUDIF-UHFFFAOYSA-N -1 1 368.437 2.005 20 0 FEADMM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000102889558 543084375 /nfs/dbraw/zinc/08/43/75/543084375.db2.gz GRUJVNGHUGJFKR-VIFPVBQESA-N -1 1 373.360 2.057 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCSc2ccccc21 ZINC000103939327 543118934 /nfs/dbraw/zinc/11/89/34/543118934.db2.gz ZVSNFOSQYYHBPQ-UHFFFAOYSA-N -1 1 354.435 2.321 20 0 FEADMM Cc1ccc(NC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)cc1F ZINC000104013035 543120394 /nfs/dbraw/zinc/12/03/94/543120394.db2.gz BFPAIRWHGBSHAK-UHFFFAOYSA-N -1 1 353.357 2.164 20 0 FEADMM C[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCOCC1 ZINC000104759247 543142339 /nfs/dbraw/zinc/14/23/39/543142339.db2.gz IGGGFJZWOKGZQW-DTWKUNHWSA-N -1 1 373.327 2.442 20 0 FEADMM CCOc1cccc2c1OC[C@H](C(=O)Nc1nc(-c3ccccn3)n[nH]1)C2 ZINC000106749490 543245023 /nfs/dbraw/zinc/24/50/23/543245023.db2.gz AOCQSDYWIREGFN-CYBMUJFWSA-N -1 1 365.393 2.455 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)o1 ZINC000107700418 543276488 /nfs/dbraw/zinc/27/64/88/543276488.db2.gz RBVZYPTXRBAWFR-UHFFFAOYSA-N -1 1 358.441 2.167 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2ccccc2[C@H]1C ZINC000109048700 543312340 /nfs/dbraw/zinc/31/23/40/543312340.db2.gz UWUVGPIPVNFCFH-CYBMUJFWSA-N -1 1 350.422 2.328 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nnc(C(F)F)s1 ZINC000108786796 543303508 /nfs/dbraw/zinc/30/35/08/543303508.db2.gz LFNAZJNGXASNEJ-UHFFFAOYSA-N -1 1 362.383 2.490 20 0 FEADMM CCOC(=O)CCNC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000109386828 543323188 /nfs/dbraw/zinc/32/31/88/543323188.db2.gz NLTYCGUNYZSXHA-UHFFFAOYSA-N -1 1 362.455 2.376 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)o1 ZINC000113209534 543477428 /nfs/dbraw/zinc/47/74/28/543477428.db2.gz PJEUWNJXSSYLFV-OAHLLOKOSA-N -1 1 362.451 2.343 20 0 FEADMM O=C(NCc1ncc[nH]1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000114340549 543510320 /nfs/dbraw/zinc/51/03/20/543510320.db2.gz YKSJKZOHNCKSGW-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000122668828 543716913 /nfs/dbraw/zinc/71/69/13/543716913.db2.gz CUKGXLIPCCTNJO-SCSAIBSYSA-N -1 1 359.293 2.222 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(OC(C)C)c2)co1 ZINC000123714418 543778755 /nfs/dbraw/zinc/77/87/55/543778755.db2.gz PHAGQKNGFIHFBF-UHFFFAOYSA-N -1 1 366.439 2.247 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nn1-c1cccc(Cl)c1 ZINC000124353143 543816538 /nfs/dbraw/zinc/81/65/38/543816538.db2.gz KBCHGWKGXODIEN-SNVBAGLBSA-N -1 1 359.821 2.223 20 0 FEADMM C[C@H](CN(C)C(=O)CSCc1coc(-c2ccccc2)n1)c1nn[n-]n1 ZINC000124386841 543817987 /nfs/dbraw/zinc/81/79/87/543817987.db2.gz NWSGIIOODPDBQA-GFCCVEGCSA-N -1 1 372.454 2.350 20 0 FEADMM COc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccc1OC1CCCC1 ZINC000124458836 543822301 /nfs/dbraw/zinc/82/23/01/543822301.db2.gz WNBNAVVXAZJPQM-GFCCVEGCSA-N -1 1 359.430 2.405 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc2c(cccc2Br)[nH]1)c1nn[n-]n1 ZINC000123991100 543795576 /nfs/dbraw/zinc/79/55/76/543795576.db2.gz VPTZHJIXUVYZCV-QMMMGPOBSA-N -1 1 363.219 2.319 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(Br)c(Cl)c1)c1nn[n-]n1 ZINC000124243365 543809255 /nfs/dbraw/zinc/80/92/55/543809255.db2.gz QWPIKNLAQVQTJO-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nn[n-]n1 ZINC000124692394 543837449 /nfs/dbraw/zinc/83/74/49/543837449.db2.gz QCRUCGRZWLVLSJ-QMMMGPOBSA-N -1 1 364.381 2.477 20 0 FEADMM CCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1S(C)(=O)=O ZINC000126187984 543923081 /nfs/dbraw/zinc/92/30/81/543923081.db2.gz SSZJTBLQOANRQC-UHFFFAOYSA-N -1 1 362.333 2.042 20 0 FEADMM CCOc1ccccc1[C@@H](CC)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000127045320 543970168 /nfs/dbraw/zinc/97/01/68/543970168.db2.gz YVYJIDJKBDYKHA-CQSZACIVSA-N -1 1 366.439 2.468 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC000126772523 543955648 /nfs/dbraw/zinc/95/56/48/543955648.db2.gz WXZKYBCMARESSL-HNNXBMFYSA-N -1 1 366.439 2.246 20 0 FEADMM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129358451 544107926 /nfs/dbraw/zinc/10/79/26/544107926.db2.gz MKJOLIAUIISXTO-LBPRGKRZSA-N -1 1 371.832 2.367 20 0 FEADMM C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000129504265 544115409 /nfs/dbraw/zinc/11/54/09/544115409.db2.gz WKNLJOYBMSKCMG-VXGBXAGGSA-N -1 1 374.466 2.212 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc(C)c1OC(F)F ZINC000129534703 544117227 /nfs/dbraw/zinc/11/72/27/544117227.db2.gz NFWLMAVBBHZHJR-LLVKDONJSA-N -1 1 351.357 2.438 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1CCCO1 ZINC000131019638 544174393 /nfs/dbraw/zinc/17/43/93/544174393.db2.gz JYXUXOICQMVNIF-KRWDZBQOSA-N -1 1 360.435 2.283 20 0 FEADMM Cn1nc(C(=O)Nc2c([O-])cc(Br)cc2Cl)ccc1=O ZINC000552197771 674194959 /nfs/dbraw/zinc/19/49/59/674194959.db2.gz BUBFZEPBXUKXOQ-UHFFFAOYSA-N -1 1 358.579 2.154 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(OC)cc1 ZINC000552210209 674195217 /nfs/dbraw/zinc/19/52/17/674195217.db2.gz RKHUFTYTKHVCSF-OAHLLOKOSA-N -1 1 353.371 2.027 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1Cc1ccncc1 ZINC000131657889 544200229 /nfs/dbraw/zinc/20/02/29/544200229.db2.gz DBNJGSXEOBVANV-INIZCTEOSA-N -1 1 365.441 2.081 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2c(C)[n-]c(=O)nc2SC)C12CCC2 ZINC000132527848 544234477 /nfs/dbraw/zinc/23/44/77/544234477.db2.gz HWWBGPOQSOZGMB-RYUDHWBXSA-N -1 1 351.472 2.220 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1F ZINC000133010417 544252075 /nfs/dbraw/zinc/25/20/75/544252075.db2.gz RDSPYCRBFWSVQL-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)ccc1F ZINC000134462255 544309127 /nfs/dbraw/zinc/30/91/27/544309127.db2.gz XQQYFOSEDGLVIN-UHFFFAOYSA-N -1 1 374.397 2.220 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)cc(C)c1F ZINC000135768861 544360545 /nfs/dbraw/zinc/36/05/45/544360545.db2.gz ONBHEBLUHRKCCT-UHFFFAOYSA-N -1 1 362.382 2.469 20 0 FEADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1 ZINC000135800323 544361464 /nfs/dbraw/zinc/36/14/64/544361464.db2.gz FOTSAORKXIFRHJ-UHFFFAOYSA-N -1 1 371.422 2.302 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc4ncccc4c3)cc21 ZINC000135921810 544363863 /nfs/dbraw/zinc/36/38/63/544363863.db2.gz SNXNTAOLXWJWLQ-UHFFFAOYSA-N -1 1 353.403 2.322 20 0 FEADMM CCC[C@@H](NC(=O)CSc1ccc(C(C)=O)c(F)c1)c1nn[n-]n1 ZINC000136661242 544376384 /nfs/dbraw/zinc/37/63/84/544376384.db2.gz SECFKIJQPUNDCS-CYBMUJFWSA-N -1 1 351.407 2.291 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCCOC1CCCC1 ZINC000143813735 544424366 /nfs/dbraw/zinc/42/43/66/544424366.db2.gz KXVCVXFNGFRKDU-UHFFFAOYSA-N -1 1 370.453 2.148 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)cnc2n1 ZINC000151035731 544498569 /nfs/dbraw/zinc/49/85/69/544498569.db2.gz BTBXRFYNMLQFKN-CQSZACIVSA-N -1 1 369.343 2.419 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)c[n-]c2n1 ZINC000151035731 544498572 /nfs/dbraw/zinc/49/85/72/544498572.db2.gz BTBXRFYNMLQFKN-CQSZACIVSA-N -1 1 369.343 2.419 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(N)=O ZINC000151168941 544512644 /nfs/dbraw/zinc/51/26/44/544512644.db2.gz LJRMUHXHNBCRPM-VIFPVBQESA-N -1 1 358.769 2.147 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)o1 ZINC000151302506 544526360 /nfs/dbraw/zinc/52/63/60/544526360.db2.gz PIBNKWNBNORTHB-LIRRHRJNSA-N -1 1 374.462 2.212 20 0 FEADMM Cn1cccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1=O ZINC000152463000 544655994 /nfs/dbraw/zinc/65/59/94/544655994.db2.gz VXKQSWZFEAEUOE-UHFFFAOYSA-N -1 1 361.192 2.088 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c(=O)[n-]1 ZINC000152588012 544670417 /nfs/dbraw/zinc/67/04/17/544670417.db2.gz ZUCGKGPSBVTFJX-WFASDCNBSA-N -1 1 373.478 2.414 20 0 FEADMM CC(=O)N1CCC(CNC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000152804207 544698519 /nfs/dbraw/zinc/69/85/19/544698519.db2.gz BGSXRJTXBYEOQO-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)co1 ZINC000153810999 544827229 /nfs/dbraw/zinc/82/72/29/544827229.db2.gz DNUKXBMJMCQONL-SNVBAGLBSA-N -1 1 372.830 2.038 20 0 FEADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ncon1 ZINC000154524852 544916952 /nfs/dbraw/zinc/91/69/52/544916952.db2.gz CZYNFHRMCMIMJX-GFCCVEGCSA-N -1 1 372.406 2.361 20 0 FEADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc([O-])cc1F ZINC000154981708 544973385 /nfs/dbraw/zinc/97/33/85/544973385.db2.gz UPFYRSZDIBAPLE-AWEZNQCLSA-N -1 1 350.296 2.345 20 0 FEADMM COCc1ncc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)s1 ZINC000552407759 674208029 /nfs/dbraw/zinc/20/80/29/674208029.db2.gz BYXWETGNWZHOMH-UHFFFAOYSA-N -1 1 359.404 2.052 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CC2(F)F)o1 ZINC000622202773 676496421 /nfs/dbraw/zinc/49/64/21/676496421.db2.gz MHAMFOMKJQRJAM-SECBINFHSA-N -1 1 350.387 2.132 20 0 FEADMM O=C([N-]CCCOC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000803811967 674261375 /nfs/dbraw/zinc/26/13/75/674261375.db2.gz FKOQFCISVAHCMF-JTQLQIEISA-N -1 1 373.249 2.351 20 0 FEADMM O=C([N-][C@@H](CO)c1nc(-c2ccccc2)no1)C(F)(F)c1nccs1 ZINC000804122689 674272400 /nfs/dbraw/zinc/27/24/00/674272400.db2.gz GFASRTDTBFNWEW-JTQLQIEISA-N -1 1 366.349 2.135 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1F ZINC000178961478 327618925 /nfs/dbraw/zinc/61/89/25/327618925.db2.gz LEBJZKAJUNWTCD-UHFFFAOYSA-N -1 1 362.382 2.415 20 0 FEADMM COc1ccc([C@H](CNC(=O)c2ccc([O-])cc2F)N2CCOCC2)cc1 ZINC000181050628 327714156 /nfs/dbraw/zinc/71/41/56/327714156.db2.gz MVBPIYKXWLBDNB-IBGZPJMESA-N -1 1 374.412 2.343 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000182211748 327765791 /nfs/dbraw/zinc/76/57/91/327765791.db2.gz JEYZXVKVYLHMSJ-CYBMUJFWSA-N -1 1 363.458 2.181 20 0 FEADMM Cc1nnc(CNC(=O)c2ccc(Br)cc2[O-])n1C1CC1 ZINC000183425008 327817219 /nfs/dbraw/zinc/81/72/19/327817219.db2.gz ZWRYXXKBDUQCPE-UHFFFAOYSA-N -1 1 351.204 2.320 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(C)c1 ZINC000184253352 327858337 /nfs/dbraw/zinc/85/83/37/327858337.db2.gz AZOLISBGKLOCPB-HNNXBMFYSA-N -1 1 355.362 2.466 20 0 FEADMM Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc(C(=O)[O-])c1Cl ZINC000184979840 327893074 /nfs/dbraw/zinc/89/30/74/327893074.db2.gz VLXSDSFRNWAZLH-LBPRGKRZSA-N -1 1 372.874 2.205 20 0 FEADMM O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cc(Br)ccc1[O-] ZINC000185378050 327913609 /nfs/dbraw/zinc/91/36/09/327913609.db2.gz LGXZTWZACOHXCJ-LBPRGKRZSA-N -1 1 366.211 2.194 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000187551391 328032807 /nfs/dbraw/zinc/03/28/07/328032807.db2.gz FZYSTFUBXUJNHR-VBNZEHGJSA-N -1 1 371.441 2.285 20 0 FEADMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000188543760 328093837 /nfs/dbraw/zinc/09/38/37/328093837.db2.gz BZDOELHRSUAIEQ-BQBZGAKWSA-N -1 1 357.657 2.199 20 0 FEADMM COc1ccc(F)cc1CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000188685753 328104139 /nfs/dbraw/zinc/10/41/39/328104139.db2.gz RZCGDHGVWFMUJC-UHFFFAOYSA-N -1 1 372.400 2.448 20 0 FEADMM Cc1ccc(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1Br ZINC000188792166 328111065 /nfs/dbraw/zinc/11/10/65/328111065.db2.gz AZJNWHLHELWODN-JTQLQIEISA-N -1 1 352.236 2.075 20 0 FEADMM CCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000190215447 328194837 /nfs/dbraw/zinc/19/48/37/328194837.db2.gz LKZNQCMFYRCGRI-NSHDSACASA-N -1 1 373.848 2.477 20 0 FEADMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000190614796 328219605 /nfs/dbraw/zinc/21/96/05/328219605.db2.gz MGGIZPZBDDVZIR-IRXDYDNUSA-N -1 1 374.462 2.377 20 0 FEADMM CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000190614816 328219747 /nfs/dbraw/zinc/21/97/47/328219747.db2.gz MGGIZPZBDDVZIR-IAGOWNOFSA-N -1 1 374.462 2.377 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)ccc1F ZINC000190727390 328228137 /nfs/dbraw/zinc/22/81/37/328228137.db2.gz OVEGMOPKUIAMCC-UHFFFAOYSA-N -1 1 366.414 2.266 20 0 FEADMM C[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190765284 328231367 /nfs/dbraw/zinc/23/13/67/328231367.db2.gz SZLLAYPRDYLLEE-LURJTMIESA-N -1 1 360.632 2.148 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccn1)C(C)(C)C ZINC000191705298 328277928 /nfs/dbraw/zinc/27/79/28/328277928.db2.gz GIFIZAFRSKOZJH-UHFFFAOYSA-N -1 1 367.453 2.404 20 0 FEADMM Cc1cc(NC(=O)c2cc(I)ccc2[O-])n(C)n1 ZINC000192581771 328327066 /nfs/dbraw/zinc/32/70/66/328327066.db2.gz ODOMAKWIBFAWES-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM CCOc1cc(C(=O)N2CCN(c3ncccn3)CC2)cc(Cl)c1[O-] ZINC000192659884 328331508 /nfs/dbraw/zinc/33/15/08/328331508.db2.gz MRLRSQIXMQUQBX-UHFFFAOYSA-N -1 1 362.817 2.197 20 0 FEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)ccc2Br)C1=O ZINC000193135471 328359182 /nfs/dbraw/zinc/35/91/82/328359182.db2.gz HVRJODSEIGBGSB-CQSZACIVSA-N -1 1 354.204 2.123 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000193337212 328369655 /nfs/dbraw/zinc/36/96/55/328369655.db2.gz IVZPKJWYSFAQKI-SNVBAGLBSA-N -1 1 374.260 2.411 20 0 FEADMM CN(C)C(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000193809016 328396640 /nfs/dbraw/zinc/39/66/40/328396640.db2.gz CGAKLCOMXAEXLG-UHFFFAOYSA-N -1 1 372.368 2.284 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000194578918 328430660 /nfs/dbraw/zinc/43/06/60/328430660.db2.gz FJFCBQUHULNIKU-LBPRGKRZSA-N -1 1 360.801 2.327 20 0 FEADMM NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000017126602 324388186 /nfs/dbraw/zinc/38/81/86/324388186.db2.gz KJTNRLJSBWXJNQ-UHFFFAOYSA-N -1 1 370.430 2.165 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)OC)c2)n1 ZINC000024798626 324413273 /nfs/dbraw/zinc/41/32/73/324413273.db2.gz GJELUOHQRWIQBE-UHFFFAOYSA-N -1 1 361.423 2.240 20 0 FEADMM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1sccc1Br ZINC000042375388 324526404 /nfs/dbraw/zinc/52/64/04/324526404.db2.gz OYMSSUSPMPQZQL-MRVPVSSYSA-N -1 1 350.263 2.074 20 0 FEADMM COCC1=CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000229523994 328485949 /nfs/dbraw/zinc/48/59/49/328485949.db2.gz RAPWFHHBFBHEBT-UHFFFAOYSA-N -1 1 373.190 2.416 20 0 FEADMM O=C(NCC[C@H]1CCOC1)c1cc(I)ccc1[O-] ZINC000230344009 328486880 /nfs/dbraw/zinc/48/68/80/328486880.db2.gz YSQCRYSRCXVJFG-VIFPVBQESA-N -1 1 361.179 2.153 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCO[C@@H]2CCC[C@H]21 ZINC000236568473 328489293 /nfs/dbraw/zinc/48/92/93/328489293.db2.gz WRMAJASGFUPFAM-DGCLKSJQSA-N -1 1 373.190 2.390 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(Cl)cc1[O-] ZINC000077210675 324981412 /nfs/dbraw/zinc/98/14/12/324981412.db2.gz DYUFTWFUKMTJJO-UHFFFAOYSA-N -1 1 359.813 2.475 20 0 FEADMM Cc1nn(C)c(C)c1CCC(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000078542984 325050299 /nfs/dbraw/zinc/05/02/99/325050299.db2.gz QWIWBNHRONQNGJ-UHFFFAOYSA-N -1 1 350.492 2.163 20 0 FEADMM O=S(=O)([N-]CCCn1cccn1)c1sccc1Br ZINC000079262188 325084207 /nfs/dbraw/zinc/08/42/07/325084207.db2.gz YFVSAVSGCWUYTR-UHFFFAOYSA-N -1 1 350.263 2.076 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCN(C(=O)c2ccccc2O)CC1 ZINC000079989170 325113014 /nfs/dbraw/zinc/11/30/14/325113014.db2.gz NYMZJAPPZQCSOM-UHFFFAOYSA-N -1 1 360.797 2.349 20 0 FEADMM Cc1ccccc1CC(=O)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080022733 325114255 /nfs/dbraw/zinc/11/42/55/325114255.db2.gz VAWRBHYKYNPDRZ-UHFFFAOYSA-N -1 1 356.397 2.367 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2c(F)cccc2Cl)o1 ZINC000081448815 325176185 /nfs/dbraw/zinc/17/61/85/325176185.db2.gz QXMCBHILZOXJHX-MRVPVSSYSA-N -1 1 360.794 2.471 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCN(C3CC3)CC2)n1 ZINC000081727798 325194269 /nfs/dbraw/zinc/19/42/69/325194269.db2.gz KEBCVKXTACDBNZ-UHFFFAOYSA-N -1 1 358.417 2.336 20 0 FEADMM Cc1cc(C(=O)N(CC2CC2)c2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000084242415 325231378 /nfs/dbraw/zinc/23/13/78/325231378.db2.gz TUKVGEVKUYLKFQ-UHFFFAOYSA-N -1 1 350.378 2.389 20 0 FEADMM Cc1cc(C(=O)N(CC2CC2)c2ccccc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000084242415 325231381 /nfs/dbraw/zinc/23/13/81/325231381.db2.gz TUKVGEVKUYLKFQ-UHFFFAOYSA-N -1 1 350.378 2.389 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)Nc1ccc(-n2ccnn2)cc1 ZINC000085581557 325256146 /nfs/dbraw/zinc/25/61/46/325256146.db2.gz YSEHVKZACIWPQH-UHFFFAOYSA-N -1 1 356.415 2.178 20 0 FEADMM CCn1c(CNC(=O)[C@H](CC(C)C)N2CCCCC2=O)n[n-]c1=S ZINC000087300676 325278633 /nfs/dbraw/zinc/27/86/33/325278633.db2.gz NSPBNKSCTXLRSA-LBPRGKRZSA-N -1 1 353.492 2.004 20 0 FEADMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cn1C ZINC000091556990 325387728 /nfs/dbraw/zinc/38/77/28/325387728.db2.gz FYHUXSIECRRXHF-UHFFFAOYSA-N -1 1 359.810 2.320 20 0 FEADMM CCCCCNC(=O)C1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000107323950 325624251 /nfs/dbraw/zinc/62/42/51/325624251.db2.gz OZTSGMAUAAYFHE-UHFFFAOYSA-N -1 1 370.453 2.082 20 0 FEADMM CC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])COC1 ZINC000112728404 325803014 /nfs/dbraw/zinc/80/30/14/325803014.db2.gz BNUWLTLPWHDMLX-KRWDZBQOSA-N -1 1 368.433 2.303 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2cccc(F)c2)o1 ZINC000118353649 326089185 /nfs/dbraw/zinc/08/91/85/326089185.db2.gz LURSDHVFEKGJOM-UHFFFAOYSA-N -1 1 354.403 2.034 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(C)cccc2OC(F)F)o1 ZINC000120429442 326258260 /nfs/dbraw/zinc/25/82/60/326258260.db2.gz WOBARYIPCDQOQN-UHFFFAOYSA-N -1 1 360.338 2.350 20 0 FEADMM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000120884018 326296026 /nfs/dbraw/zinc/29/60/26/326296026.db2.gz AXOJFBWSPCHYFR-QGZVFWFLSA-N -1 1 373.840 2.030 20 0 FEADMM C[C@H](CCCO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000122451414 326397279 /nfs/dbraw/zinc/39/72/79/326397279.db2.gz XXPWPOHCNHWHPB-RDTXWAMCSA-N -1 1 370.449 2.427 20 0 FEADMM CCOc1cccc([C@H](C)NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000124032288 326446651 /nfs/dbraw/zinc/44/66/51/326446651.db2.gz GZWZXKFPBZPBQE-NSHDSACASA-N -1 1 352.412 2.077 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)co1 ZINC000130234590 326553395 /nfs/dbraw/zinc/55/33/95/326553395.db2.gz MJGABPMHNJYHGD-QGZVFWFLSA-N -1 1 371.418 2.102 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)ccc1C ZINC000130459350 326557227 /nfs/dbraw/zinc/55/72/27/326557227.db2.gz GHTBEZUWRHIINW-UHFFFAOYSA-N -1 1 371.422 2.335 20 0 FEADMM O=S(=O)([N-]Cc1ccccc1OCCO)c1c(F)cccc1Cl ZINC000132853763 326598883 /nfs/dbraw/zinc/59/88/83/326598883.db2.gz LNIGGUWUEJGFPR-UHFFFAOYSA-N -1 1 359.806 2.329 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)c1 ZINC000152060632 326697981 /nfs/dbraw/zinc/69/79/81/326697981.db2.gz MWJWNVZTPMEEQC-UHFFFAOYSA-N -1 1 364.423 2.014 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cccc3C2)co1 ZINC000152893311 326718951 /nfs/dbraw/zinc/71/89/51/326718951.db2.gz FWXCKYDZIOJVPO-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(Cl)c3)CC2)co1 ZINC000153128859 326724607 /nfs/dbraw/zinc/72/46/07/326724607.db2.gz OXBURXYTERUGBB-UHFFFAOYSA-N -1 1 354.815 2.260 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)co1 ZINC000153593774 326737177 /nfs/dbraw/zinc/73/71/77/326737177.db2.gz CMQFMCDGDOSYBC-BBRMVZONSA-N -1 1 362.451 2.454 20 0 FEADMM COc1cc(C(=O)[N-]c2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)on1 ZINC000154684390 326766319 /nfs/dbraw/zinc/76/63/19/326766319.db2.gz XADBJRSATIDZIS-AOOOYVTPSA-N -1 1 352.416 2.001 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)co1 ZINC000155581087 326794410 /nfs/dbraw/zinc/79/44/10/326794410.db2.gz FQFUPNQRRSPNLV-LLVKDONJSA-N -1 1 354.350 2.039 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)co1 ZINC000161875078 327011136 /nfs/dbraw/zinc/01/11/36/327011136.db2.gz OMNRAWUWIMDJRS-HNNXBMFYSA-N -1 1 365.455 2.284 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000162675440 327031635 /nfs/dbraw/zinc/03/16/35/327031635.db2.gz RJQNIYNNNCZCTF-NSHDSACASA-N -1 1 365.231 2.299 20 0 FEADMM COc1cc2c(cc1CNC(=O)c1nc3ccccc3c(=O)[n-]1)O[C@@H](C)C2 ZINC000163204106 327045958 /nfs/dbraw/zinc/04/59/58/327045958.db2.gz RAMKNGSZVURWRH-NSHDSACASA-N -1 1 365.389 2.185 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1Cl ZINC000170661555 327092020 /nfs/dbraw/zinc/09/20/20/327092020.db2.gz YIIGGHHOHOWBKN-UHFFFAOYSA-N -1 1 374.796 2.327 20 0 FEADMM Cc1cc(CN2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)no1 ZINC000170769231 327097999 /nfs/dbraw/zinc/09/79/99/327097999.db2.gz RDNQTPIYZDOZNV-UHFFFAOYSA-N -1 1 355.394 2.113 20 0 FEADMM O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000171259584 327128154 /nfs/dbraw/zinc/12/81/54/327128154.db2.gz FYCZYJXJZBEMOU-UHFFFAOYSA-N -1 1 357.385 2.095 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc2ncsc2c1 ZINC000172222467 327187950 /nfs/dbraw/zinc/18/79/50/327187950.db2.gz PQZWQIQXZOJMLF-UHFFFAOYSA-N -1 1 353.407 2.179 20 0 FEADMM CC(C)c1nn(C)c2sc(C(=O)NCCc3nnc([S-])n3C)cc12 ZINC000173074533 327233739 /nfs/dbraw/zinc/23/37/39/327233739.db2.gz HHQDRKLSGXITFD-UHFFFAOYSA-N -1 1 364.500 2.148 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1SCCc2sccc21 ZINC000173449217 327258111 /nfs/dbraw/zinc/25/81/11/327258111.db2.gz AHRLMTMTAKGSGR-INIZCTEOSA-N -1 1 374.491 2.348 20 0 FEADMM COC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccco1 ZINC000174632163 327340127 /nfs/dbraw/zinc/34/01/27/327340127.db2.gz HRQDLUDAIGJRSX-AWEZNQCLSA-N -1 1 358.398 2.081 20 0 FEADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175222308 327380919 /nfs/dbraw/zinc/38/09/19/327380919.db2.gz ARMNRXQIBWJBFB-SNVBAGLBSA-N -1 1 350.419 2.451 20 0 FEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000175278990 327383944 /nfs/dbraw/zinc/38/39/44/327383944.db2.gz VSCVDEHKSFYGNQ-HUUCEWRRSA-N -1 1 362.499 2.362 20 0 FEADMM CN(C)Cc1ccnc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000176319674 327448437 /nfs/dbraw/zinc/44/84/37/327448437.db2.gz JMUGKJPIPPZVEL-UHFFFAOYSA-N -1 1 355.373 2.426 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)o1 ZINC000177525413 327528505 /nfs/dbraw/zinc/52/85/05/327528505.db2.gz BHKJEGJYVAEXBA-CHWSQXEVSA-N -1 1 367.427 2.115 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2sccc2[C@@H]1C ZINC000264158294 328995843 /nfs/dbraw/zinc/99/58/43/328995843.db2.gz LXWHHBLYMPTJFK-NSHDSACASA-N -1 1 356.451 2.389 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)C[C@@H]1CCCO1 ZINC000264403176 329018974 /nfs/dbraw/zinc/01/89/74/329018974.db2.gz OPMGMYBLJGMRCD-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(Sc2nncn2C)c(Cl)c1 ZINC000265591544 329141377 /nfs/dbraw/zinc/14/13/77/329141377.db2.gz AZZUKHRIJCUFBN-UHFFFAOYSA-N -1 1 362.864 2.008 20 0 FEADMM COC(C)(C)C[C@@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266222953 329201840 /nfs/dbraw/zinc/20/18/40/329201840.db2.gz MFNKLMSGGZDSJL-GFCCVEGCSA-N -1 1 358.442 2.415 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)c1C ZINC000266311184 329210099 /nfs/dbraw/zinc/21/00/99/329210099.db2.gz FDFUCYRSAFOLED-UHFFFAOYSA-N -1 1 360.443 2.210 20 0 FEADMM NC(=O)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000267262744 329308387 /nfs/dbraw/zinc/30/83/87/329308387.db2.gz KUKKQHFBFQUBNY-BQBZGAKWSA-N -1 1 357.284 2.377 20 0 FEADMM CCCN(CC(C)(C)O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000267609245 329342879 /nfs/dbraw/zinc/34/28/79/329342879.db2.gz QXOWIJNTKQCDSG-UHFFFAOYSA-N -1 1 373.475 2.082 20 0 FEADMM CCC[C@H](CCO)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000269645502 329536947 /nfs/dbraw/zinc/53/69/47/329536947.db2.gz YRWRFMJPCURYCA-OAHLLOKOSA-N -1 1 372.469 2.400 20 0 FEADMM COC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000269689664 329540489 /nfs/dbraw/zinc/54/04/89/329540489.db2.gz GJDHQQWUTMXZHI-INIZCTEOSA-N -1 1 356.426 2.026 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c[nH]1 ZINC000270456340 329602345 /nfs/dbraw/zinc/60/23/45/329602345.db2.gz VVXSUVLVURCJQK-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000271264797 329678366 /nfs/dbraw/zinc/67/83/66/329678366.db2.gz LRCPXFMEVHZKQK-SKDRFNHKSA-N -1 1 361.826 2.267 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@]2(C)CCCO)c(=O)[n-]1 ZINC000271283995 329679994 /nfs/dbraw/zinc/67/99/94/329679994.db2.gz LABXYIKUMPQKJG-QGZVFWFLSA-N -1 1 353.488 2.299 20 0 FEADMM C[C@@H](O)CCN(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271468552 329696236 /nfs/dbraw/zinc/69/62/36/329696236.db2.gz ZXCLBRALGALZRE-SECBINFHSA-N -1 1 364.320 2.346 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000271982822 329742469 /nfs/dbraw/zinc/74/24/69/329742469.db2.gz YJMCWWCATKJNNX-QCZZGDTMSA-N -1 1 353.488 2.321 20 0 FEADMM O=C([N-]N1CCCNC1=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000272579343 329793458 /nfs/dbraw/zinc/79/34/58/329793458.db2.gz MGHLMAXBCFQUJH-UHFFFAOYSA-N -1 1 359.407 2.246 20 0 FEADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000272590268 329794432 /nfs/dbraw/zinc/79/44/32/329794432.db2.gz MRINNEYXFLTEBS-QWHCGFSZSA-N -1 1 370.471 2.034 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000273604614 329878545 /nfs/dbraw/zinc/87/85/45/329878545.db2.gz NXPMZCFFTOHZCB-HOTGVXAUSA-N -1 1 374.485 2.240 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc(Cl)c1[O-] ZINC000273860221 329897829 /nfs/dbraw/zinc/89/78/29/329897829.db2.gz NOQIVJOUNFFQIV-UHFFFAOYSA-N -1 1 361.847 2.094 20 0 FEADMM CCOc1cc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc(Cl)c1[O-] ZINC000273964691 329905778 /nfs/dbraw/zinc/90/57/78/329905778.db2.gz PPSPIZHSJDYRNF-LLVKDONJSA-N -1 1 355.822 2.107 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000274151815 329920606 /nfs/dbraw/zinc/92/06/06/329920606.db2.gz DSKKRDTYMYWPAO-UKRRQHHQSA-N -1 1 365.407 2.265 20 0 FEADMM O=C([N-]OCCC(F)(F)F)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000275110487 330011628 /nfs/dbraw/zinc/01/16/28/330011628.db2.gz WEVBZAKUXVYDHG-MRVPVSSYSA-N -1 1 352.259 2.318 20 0 FEADMM O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000275352243 330038349 /nfs/dbraw/zinc/03/83/49/330038349.db2.gz GXADCKVDTRCDDT-MRVPVSSYSA-N -1 1 350.724 2.186 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2c(F)ccc(OC)c2OC)s1 ZINC000276255480 330134208 /nfs/dbraw/zinc/13/42/08/330134208.db2.gz AGKYBVJEFCCXDH-UHFFFAOYSA-N -1 1 369.374 2.052 20 0 FEADMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc3nc(C)ccc3c1[O-])CC2 ZINC000361479061 330205041 /nfs/dbraw/zinc/20/50/41/330205041.db2.gz QVRLFEBEPNAGHS-JKSUJKDBSA-N -1 1 371.437 2.036 20 0 FEADMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1c[n-]c3nc(C)ccc3c1=O)CC2 ZINC000361479061 330205043 /nfs/dbraw/zinc/20/50/43/330205043.db2.gz QVRLFEBEPNAGHS-JKSUJKDBSA-N -1 1 371.437 2.036 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000367208143 330229955 /nfs/dbraw/zinc/22/99/55/330229955.db2.gz HORBDJUTEOXTLG-LBPRGKRZSA-N -1 1 359.455 2.006 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000367214509 330231190 /nfs/dbraw/zinc/23/11/90/330231190.db2.gz UYLAXZIIYHRHIM-GFCCVEGCSA-N -1 1 374.828 2.224 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000554690323 674330580 /nfs/dbraw/zinc/33/05/80/674330580.db2.gz UFRWROXEMVYHRA-UHFFFAOYSA-N -1 1 357.476 2.357 20 0 FEADMM O=C(NC[C@H](O)C(F)F)c1c([O-])cnc2c(Br)cccc21 ZINC000555098493 674347686 /nfs/dbraw/zinc/34/76/86/674347686.db2.gz GVTJBWRNRVWESW-VIFPVBQESA-N -1 1 361.142 2.059 20 0 FEADMM COC(=O)c1ccc(Br)c(S(=O)(=O)[N-][C@H](C)C(F)F)c1 ZINC000882869931 687519262 /nfs/dbraw/zinc/51/92/62/687519262.db2.gz UYAZSZWGJFPXFM-ZCFIWIBFSA-N -1 1 372.187 2.168 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(F)F)c(Br)c1 ZINC000555407347 674359543 /nfs/dbraw/zinc/35/95/43/674359543.db2.gz ZMNZOBFZYSKCGC-UHFFFAOYSA-N -1 1 372.187 2.169 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)[C@@]1(CO)CCCO1)c1cc2ccccc2o1 ZINC000555457068 674362680 /nfs/dbraw/zinc/36/26/80/674362680.db2.gz NUKZHOFVKRVIJL-IRXDYDNUSA-N -1 1 351.424 2.031 20 0 FEADMM COc1cnc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000555542174 674365617 /nfs/dbraw/zinc/36/56/17/674365617.db2.gz HIVOCDNSEQJVIJ-UHFFFAOYSA-N -1 1 357.395 2.199 20 0 FEADMM C[C@@H]1COCCCN1C(=O)c1cc(I)ccc1[O-] ZINC000398907596 558627407 /nfs/dbraw/zinc/62/74/07/558627407.db2.gz ULEPMCJVZBWSHJ-SECBINFHSA-N -1 1 361.179 2.248 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000155352935 545515978 /nfs/dbraw/zinc/51/59/78/545515978.db2.gz ACVJVFIRKNNMQU-HTQZYQBOSA-N -1 1 356.810 2.424 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CN2CCNC2=O)c1 ZINC000477323595 561142238 /nfs/dbraw/zinc/14/22/38/561142238.db2.gz ZCNLFYNHAMHMLH-UHFFFAOYSA-N -1 1 373.434 2.215 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000477347245 561142823 /nfs/dbraw/zinc/14/28/23/561142823.db2.gz GPYNWOGBICRXRY-LBPRGKRZSA-N -1 1 361.423 2.135 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)CC2 ZINC000477397123 561143842 /nfs/dbraw/zinc/14/38/42/561143842.db2.gz BYYPRBIKRLUCBB-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000477430398 561144916 /nfs/dbraw/zinc/14/49/16/561144916.db2.gz WPMXUZOEOAEKFI-UHFFFAOYSA-N -1 1 365.432 2.020 20 0 FEADMM Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(Br)cc1[O-])C2 ZINC000157192605 545711096 /nfs/dbraw/zinc/71/10/96/545711096.db2.gz GAFVSMKCUFGAED-NSHDSACASA-N -1 1 350.216 2.404 20 0 FEADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000158617818 545877918 /nfs/dbraw/zinc/87/79/18/545877918.db2.gz BMQHLNPDLFQCJJ-UHFFFAOYSA-N -1 1 373.438 2.344 20 0 FEADMM CCOCCC1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1 ZINC000158683900 545884891 /nfs/dbraw/zinc/88/48/91/545884891.db2.gz VYLJZHCRKLSWRQ-UHFFFAOYSA-N -1 1 353.488 2.056 20 0 FEADMM CCS(=O)(=O)c1ccc(-c2nc3cc(OC)cc(OC)c3c(=O)[n-]2)cc1 ZINC000478246767 561162919 /nfs/dbraw/zinc/16/29/19/561162919.db2.gz BCGMNDIIAYUPDJ-UHFFFAOYSA-N -1 1 374.418 2.401 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(c2ccccn2)C1)c1cc(F)c(F)cc1F ZINC000159314847 545942544 /nfs/dbraw/zinc/94/25/44/545942544.db2.gz HXWJOIJOYPXOGS-JTQLQIEISA-N -1 1 357.357 2.056 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c(C)cc1C ZINC000478709606 561173381 /nfs/dbraw/zinc/17/33/81/561173381.db2.gz HLZFWYKFEPRQOB-UHFFFAOYSA-N -1 1 373.438 2.303 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)o1 ZINC000479175533 561183482 /nfs/dbraw/zinc/18/34/82/561183482.db2.gz QJGOVQDWINMWON-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)o1 ZINC000479212660 561184921 /nfs/dbraw/zinc/18/49/21/561184921.db2.gz SHAOTIQYNOUTRH-GFCCVEGCSA-N -1 1 369.370 2.398 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1F ZINC000479247687 561185824 /nfs/dbraw/zinc/18/58/24/561185824.db2.gz FJQZRJCHHJJKDC-UHFFFAOYSA-N -1 1 367.354 2.450 20 0 FEADMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cn1 ZINC000479533786 561191443 /nfs/dbraw/zinc/19/14/43/561191443.db2.gz TZSGQPSKRXFMFW-UHFFFAOYSA-N -1 1 363.439 2.469 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cn(-c2ccccc2Cl)nn1 ZINC000479589259 561192740 /nfs/dbraw/zinc/19/27/40/561192740.db2.gz UIFLKPFHZIVJMT-UHFFFAOYSA-N -1 1 357.683 2.310 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000176259184 546425277 /nfs/dbraw/zinc/42/52/77/546425277.db2.gz NYYRQZLAZTYSLL-NEPJUHHUSA-N -1 1 355.225 2.257 20 0 FEADMM CCCCOc1ccc(CCNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000480381883 561208074 /nfs/dbraw/zinc/20/80/74/561208074.db2.gz WWXHONNZDLOKGF-UHFFFAOYSA-N -1 1 371.437 2.055 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1)c1nn[n-]n1 ZINC000176757383 546484336 /nfs/dbraw/zinc/48/43/36/546484336.db2.gz MLRXIHIKBCJWFS-CQSZACIVSA-N -1 1 357.393 2.413 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nn[n-]n1 ZINC000176785159 546487512 /nfs/dbraw/zinc/48/75/12/546487512.db2.gz IAGNHTQMMQJXLJ-CYBMUJFWSA-N -1 1 369.404 2.284 20 0 FEADMM CC[C@@H](O)CCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000481139261 561226119 /nfs/dbraw/zinc/22/61/19/561226119.db2.gz KIHKUOITZZZAGM-OAHLLOKOSA-N -1 1 358.442 2.153 20 0 FEADMM COc1cc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc(OC)c1 ZINC000481430804 561232601 /nfs/dbraw/zinc/23/26/01/561232601.db2.gz CUMGODIJSUVSAA-UHFFFAOYSA-N -1 1 366.395 2.169 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@@H]1O)c1sccc1Br ZINC000178703835 546835572 /nfs/dbraw/zinc/83/55/72/546835572.db2.gz CEYRPFSUCYQYNK-NEPJUHHUSA-N -1 1 374.281 2.447 20 0 FEADMM O=S(=O)([N-][C@H](CO)C1CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000481596263 561237048 /nfs/dbraw/zinc/23/70/48/561237048.db2.gz ISUXDLPRSIADHM-SNVBAGLBSA-N -1 1 372.245 2.198 20 0 FEADMM COC[C@H](NC(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000179010849 546886229 /nfs/dbraw/zinc/88/62/29/546886229.db2.gz HTMVEWNAULUQGE-NSHDSACASA-N -1 1 361.179 2.152 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)co1 ZINC000179187644 546912235 /nfs/dbraw/zinc/91/22/35/546912235.db2.gz WTFOVYBZFBEHLG-UHFFFAOYSA-N -1 1 363.439 2.349 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000481900939 561244994 /nfs/dbraw/zinc/24/49/94/561244994.db2.gz LXUAQJRPPAJANM-MRXNPFEDSA-N -1 1 359.813 2.438 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000481962927 561246254 /nfs/dbraw/zinc/24/62/54/561246254.db2.gz XXQZGZPSGQMZLK-UHFFFAOYSA-N -1 1 356.350 2.230 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000179541603 546974108 /nfs/dbraw/zinc/97/41/08/546974108.db2.gz BGQLMKSJUGJJQI-WDEREUQCSA-N -1 1 368.361 2.060 20 0 FEADMM CC(C)Cn1ncnc1CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000179891209 547024485 /nfs/dbraw/zinc/02/44/85/547024485.db2.gz IQKONIRTWNBAAJ-UHFFFAOYSA-N -1 1 366.491 2.149 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)c2ccc(Cl)cc2)no1 ZINC000179989160 547036571 /nfs/dbraw/zinc/03/65/71/547036571.db2.gz MTZBLVZYZGJBHX-KBPBESRZSA-N -1 1 371.846 2.219 20 0 FEADMM COc1ncnc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000180699978 547162321 /nfs/dbraw/zinc/16/23/21/547162321.db2.gz KJWVAKZFVPKOGC-UHFFFAOYSA-N -1 1 353.300 2.408 20 0 FEADMM CC(C)(C)c1ccc(CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000482860131 561261643 /nfs/dbraw/zinc/26/16/43/561261643.db2.gz QMWBWDYNUSRGEQ-UHFFFAOYSA-N -1 1 359.499 2.309 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2CC)s1 ZINC000180800447 547182452 /nfs/dbraw/zinc/18/24/52/547182452.db2.gz YGYBOYVSYNITOZ-UHFFFAOYSA-N -1 1 358.441 2.126 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000181034366 547234915 /nfs/dbraw/zinc/23/49/15/547234915.db2.gz CJODYHLCIKAKJX-UHFFFAOYSA-N -1 1 362.741 2.224 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc(Cl)cn2)c(=O)[n-]1 ZINC000181623302 547346722 /nfs/dbraw/zinc/34/67/22/547346722.db2.gz ADOLZAOEROBARQ-UHFFFAOYSA-N -1 1 352.847 2.098 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ncccc1[O-] ZINC000483519327 561278825 /nfs/dbraw/zinc/27/88/25/561278825.db2.gz MBUNZXMRXMJRSQ-LLVKDONJSA-N -1 1 365.311 2.341 20 0 FEADMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182676195 547532000 /nfs/dbraw/zinc/53/20/00/547532000.db2.gz NHXAYXJQJQBQFO-RDJZCZTQSA-N -1 1 365.451 2.286 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000183451653 547663357 /nfs/dbraw/zinc/66/33/57/547663357.db2.gz UBJGFUATLIEZQK-OASPWFOLSA-N -1 1 364.247 2.328 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000484533156 561299337 /nfs/dbraw/zinc/29/93/37/561299337.db2.gz JEAOXHCEYKFCKD-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(=O)OC)cc1 ZINC000484645443 561302239 /nfs/dbraw/zinc/30/22/39/561302239.db2.gz RSGNKGXXKGFWGV-UHFFFAOYSA-N -1 1 365.407 2.186 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(F)c1 ZINC000484687783 561303369 /nfs/dbraw/zinc/30/33/69/561303369.db2.gz GEPRJEBEJHQHIX-UHFFFAOYSA-N -1 1 362.386 2.354 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1C(N)=O ZINC000484711620 561303964 /nfs/dbraw/zinc/30/39/64/561303964.db2.gz CZNBGJYCNTXYQJ-UHFFFAOYSA-N -1 1 372.402 2.454 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000184915696 547898648 /nfs/dbraw/zinc/89/86/48/547898648.db2.gz QTSWNLHZHIYZTD-NEPJUHHUSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c1C ZINC000184966103 547907957 /nfs/dbraw/zinc/90/79/57/547907957.db2.gz CTUXONOBEOYXHK-AWEZNQCLSA-N -1 1 368.499 2.400 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2)N(C)C1CC1 ZINC000184995366 547914426 /nfs/dbraw/zinc/91/44/26/547914426.db2.gz URRYGUUAXZYPTK-LBPRGKRZSA-N -1 1 366.483 2.025 20 0 FEADMM Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1-n1cnnn1 ZINC000485364912 561317580 /nfs/dbraw/zinc/31/75/80/561317580.db2.gz AMXUCRMMYOJJRU-UHFFFAOYSA-N -1 1 373.376 2.177 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000185105878 547935163 /nfs/dbraw/zinc/93/51/63/547935163.db2.gz XBUIYPLILMZEGT-CABZTGNLSA-N -1 1 372.874 2.250 20 0 FEADMM CCc1ccc([C@H]2CCCCN2C(=O)CNC(=O)c2ncccc2[O-])o1 ZINC000485409910 561318578 /nfs/dbraw/zinc/31/85/78/561318578.db2.gz QDSGEUZRCITCGN-CQSZACIVSA-N -1 1 357.410 2.426 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3ncsc3c2)o1 ZINC000485645216 561324834 /nfs/dbraw/zinc/32/48/34/561324834.db2.gz SZBGBLNMQYAZCP-SECBINFHSA-N -1 1 365.436 2.288 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1(Cc2ccccc2)CC1 ZINC000186259155 548107587 /nfs/dbraw/zinc/10/75/87/548107587.db2.gz DJIJMSIBPSMQLW-UHFFFAOYSA-N -1 1 350.422 2.073 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC(C)(C)c1nc3ccccc3n1C)c2=O ZINC000186402873 548129678 /nfs/dbraw/zinc/12/96/78/548129678.db2.gz SBCYCMPBIXDCPS-UHFFFAOYSA-N -1 1 364.409 2.226 20 0 FEADMM CCOc1cc(C(=O)N2CCN(c3cccnn3)CC2)cc(Cl)c1[O-] ZINC000186754883 548184979 /nfs/dbraw/zinc/18/49/79/548184979.db2.gz YSJIHXZVQNAUKD-UHFFFAOYSA-N -1 1 362.817 2.197 20 0 FEADMM COCc1noc([C@H](C)S(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)n1 ZINC000186839975 548204635 /nfs/dbraw/zinc/20/46/35/548204635.db2.gz FGHNBNARGMATFI-NSHDSACASA-N -1 1 362.411 2.449 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000194153813 548441861 /nfs/dbraw/zinc/44/18/61/548441861.db2.gz OWPUSGMWPADOHT-WFASDCNBSA-N -1 1 368.499 2.400 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)s1 ZINC000486699537 561354724 /nfs/dbraw/zinc/35/47/24/561354724.db2.gz OXYJMVCZBHVZHX-MRVPVSSYSA-N -1 1 369.411 2.400 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1cccc2cnccc21 ZINC000486803407 561357033 /nfs/dbraw/zinc/35/70/33/561357033.db2.gz XWWHLGCGQWBSMZ-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM COCc1nocc1C(=O)[N-]c1cccnc1SCCC(=O)OC ZINC000486995740 561361096 /nfs/dbraw/zinc/36/10/96/561361096.db2.gz HXTFTDXMCSGMJS-UHFFFAOYSA-N -1 1 351.384 2.124 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)no1 ZINC000195125525 548581164 /nfs/dbraw/zinc/58/11/64/548581164.db2.gz HYGNTGDPTAZLGZ-UHFFFAOYSA-N -1 1 365.390 2.310 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)no1 ZINC000195125525 548581169 /nfs/dbraw/zinc/58/11/69/548581169.db2.gz HYGNTGDPTAZLGZ-UHFFFAOYSA-N -1 1 365.390 2.310 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c(C)c1 ZINC000195174487 548590037 /nfs/dbraw/zinc/59/00/37/548590037.db2.gz XVKJKHCZWZODMH-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c(C)c1 ZINC000195174487 548590042 /nfs/dbraw/zinc/59/00/42/548590042.db2.gz XVKJKHCZWZODMH-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c(C)c1 ZINC000195174487 548590044 /nfs/dbraw/zinc/59/00/44/548590044.db2.gz XVKJKHCZWZODMH-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM CC(C)N(C(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1)c1ccccc1 ZINC000195176330 548590854 /nfs/dbraw/zinc/59/08/54/548590854.db2.gz SHOUKPRCMCVOCC-UHFFFAOYSA-N -1 1 364.471 2.318 20 0 FEADMM CC(C)N(C(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1)c1ccccc1 ZINC000195176330 548590857 /nfs/dbraw/zinc/59/08/57/548590857.db2.gz SHOUKPRCMCVOCC-UHFFFAOYSA-N -1 1 364.471 2.318 20 0 FEADMM CC(C)N(C(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1)c1ccccc1 ZINC000195176330 548590859 /nfs/dbraw/zinc/59/08/59/548590859.db2.gz SHOUKPRCMCVOCC-UHFFFAOYSA-N -1 1 364.471 2.318 20 0 FEADMM COc1cc(NC(=O)N2CCSC[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000486950611 561360068 /nfs/dbraw/zinc/36/00/68/561360068.db2.gz MEZBTGQPJDFVSB-LLVKDONJSA-N -1 1 373.500 2.284 20 0 FEADMM CC(C)c1noc([C@@H](C)S(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)n1 ZINC000195288767 548613102 /nfs/dbraw/zinc/61/31/02/548613102.db2.gz QGWGQENGGBMNIJ-LLVKDONJSA-N -1 1 361.427 2.437 20 0 FEADMM CC(C)c1noc([C@@H](C)S(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)n1 ZINC000195288767 548613105 /nfs/dbraw/zinc/61/31/05/548613105.db2.gz QGWGQENGGBMNIJ-LLVKDONJSA-N -1 1 361.427 2.437 20 0 FEADMM CC(C)c1noc([C@@H](C)S(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)n1 ZINC000195288767 548613108 /nfs/dbraw/zinc/61/31/08/548613108.db2.gz QGWGQENGGBMNIJ-LLVKDONJSA-N -1 1 361.427 2.437 20 0 FEADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000226859940 548749871 /nfs/dbraw/zinc/74/98/71/548749871.db2.gz YWIARWATGHXAIS-UHFFFAOYSA-N -1 1 350.783 2.333 20 0 FEADMM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000228077276 548753455 /nfs/dbraw/zinc/75/34/55/548753455.db2.gz ORDCZCRPDWGLLO-MADCSZMMSA-N -1 1 374.673 2.465 20 0 FEADMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000228610891 548754200 /nfs/dbraw/zinc/75/42/00/548754200.db2.gz VUAZQLODDARXDB-SECBINFHSA-N -1 1 371.684 2.183 20 0 FEADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H]1CCOC1 ZINC000230897134 548761095 /nfs/dbraw/zinc/76/10/95/548761095.db2.gz YQLUTPLDWQZLRB-WCBMZHEXSA-N -1 1 361.179 2.152 20 0 FEADMM C[C@H](CO)CCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230904185 548762505 /nfs/dbraw/zinc/76/25/05/548762505.db2.gz VVGXSOKSXROVFX-VIFPVBQESA-N -1 1 363.195 2.135 20 0 FEADMM O=C([O-])[C@@H]1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000246158526 549065811 /nfs/dbraw/zinc/06/58/11/549065811.db2.gz ABDNRUXSFSZXHH-CXAGYDPISA-N -1 1 362.426 2.499 20 0 FEADMM CC1CCN(c2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c2)CC1 ZINC000489536985 561413856 /nfs/dbraw/zinc/41/38/56/561413856.db2.gz KPUKLQAGOCLSPA-UHFFFAOYSA-N -1 1 368.437 2.392 20 0 FEADMM CCc1ccc([C@H]2CNCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 ZINC000262312847 549809447 /nfs/dbraw/zinc/80/94/47/549809447.db2.gz ZDJICBIBVHRKOY-GOSISDBHSA-N -1 1 354.454 2.077 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263136112 549880785 /nfs/dbraw/zinc/88/07/85/549880785.db2.gz DFEHQICNRMHCLF-GHMZBOCLSA-N -1 1 355.232 2.430 20 0 FEADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000263195456 549884974 /nfs/dbraw/zinc/88/49/74/549884974.db2.gz LSJMQWYLXRJKCR-DTWKUNHWSA-N -1 1 367.345 2.285 20 0 FEADMM O=C(c1ccco1)N1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000263759225 549932482 /nfs/dbraw/zinc/93/24/82/549932482.db2.gz YQIHTGKJUNJJTB-UHFFFAOYSA-N -1 1 370.377 2.141 20 0 FEADMM COc1cc(NC(=O)c2cc(C(C)C)on2)ccc1[N-]S(C)(=O)=O ZINC000491435707 561445521 /nfs/dbraw/zinc/44/55/21/561445521.db2.gz VQTHYYJKMZASAR-UHFFFAOYSA-N -1 1 353.400 2.430 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC000269546631 550205458 /nfs/dbraw/zinc/20/54/58/550205458.db2.gz RNVNEWARXBSDBI-UHFFFAOYSA-N -1 1 368.319 2.365 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000270594045 550287219 /nfs/dbraw/zinc/28/72/19/550287219.db2.gz BXFYTQAVUSJCTP-LLVKDONJSA-N -1 1 371.445 2.103 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)c(=O)[n-]1 ZINC000270742198 550302203 /nfs/dbraw/zinc/30/22/03/550302203.db2.gz LJVAWXKETPSSQA-JTQLQIEISA-N -1 1 364.475 2.264 20 0 FEADMM C[C@]1(O)CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000271354248 550368055 /nfs/dbraw/zinc/36/80/55/550368055.db2.gz HURWUGLJJMNECW-AWEZNQCLSA-N -1 1 362.304 2.100 20 0 FEADMM O=S(=O)([N-]C1CCC2(CC1)OCCO2)c1c(Cl)ccnc1Cl ZINC000272090762 550421911 /nfs/dbraw/zinc/42/19/11/550421911.db2.gz INFKNXIBMAALSK-UHFFFAOYSA-N -1 1 367.254 2.352 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[C@H]2CCO[C@@H]21 ZINC000272183836 550427468 /nfs/dbraw/zinc/42/74/68/550427468.db2.gz JNHRAXKQHHBGBU-ONOSFVFSSA-N -1 1 351.255 2.480 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(CO)c2)cn1 ZINC000273232011 550490996 /nfs/dbraw/zinc/49/09/96/550490996.db2.gz RXWATIFGAWJEAT-UHFFFAOYSA-N -1 1 352.412 2.172 20 0 FEADMM COc1ccc(NC(=O)c2oc(C3CC3)nc2C)cc1[N-]S(C)(=O)=O ZINC000273580917 550504071 /nfs/dbraw/zinc/50/40/71/550504071.db2.gz KRYJCBPFMPFIAJ-UHFFFAOYSA-N -1 1 365.411 2.493 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccnc(Cl)c3)CC2)n1 ZINC000277592457 550689125 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CCS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000278173315 550757142 /nfs/dbraw/zinc/75/71/42/550757142.db2.gz NSRPSKQBAITSSB-SNVBAGLBSA-N -1 1 355.391 2.110 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC(C)(C)O2)c1 ZINC000278728249 550815399 /nfs/dbraw/zinc/81/53/99/550815399.db2.gz HVSXMRKRPHBCCJ-HNNXBMFYSA-N -1 1 370.471 2.319 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@@H](COCc4ccccc4)C3)ccnc1-2 ZINC000279204405 550864659 /nfs/dbraw/zinc/86/46/59/550864659.db2.gz DGMKBZOIQXIBKL-PDNPPFGYSA-N -1 1 365.437 2.412 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)c(=O)[n-]1 ZINC000279508048 550898097 /nfs/dbraw/zinc/89/80/97/550898097.db2.gz UIIGYYDNTNMAPN-HZMBPMFUSA-N -1 1 351.472 2.171 20 0 FEADMM Cc1ccc([C@H](C)[C@H](O)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000495494235 561489146 /nfs/dbraw/zinc/48/91/46/561489146.db2.gz YAYYWHLANVSZDP-BUXKBTBVSA-N -1 1 368.437 2.141 20 0 FEADMM C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(Br)cc1[O-])CCO2 ZINC000280107324 550961538 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FEADMM COc1cccc(N2CCC[C@H](NC(=O)C(=O)c3ccc([O-])cc3)C2)c1 ZINC000280833340 551036921 /nfs/dbraw/zinc/03/69/21/551036921.db2.gz TXQQKAFALMKBNR-HNNXBMFYSA-N -1 1 354.406 2.369 20 0 FEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccnc(C(=O)N(C)C)c1 ZINC000281363852 551088588 /nfs/dbraw/zinc/08/85/88/551088588.db2.gz CAHAYRFBLJPHSS-UHFFFAOYSA-N -1 1 351.403 2.340 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(C)c1 ZINC000497279176 561498192 /nfs/dbraw/zinc/49/81/92/561498192.db2.gz XFIDEQKZRGEPDT-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM CC(C)COc1cncc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000282054852 551175010 /nfs/dbraw/zinc/17/50/10/551175010.db2.gz ZOKYTLAGHAXDCD-UHFFFAOYSA-N -1 1 360.380 2.406 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCCSCC)CC2)n1 ZINC000282096716 551180252 /nfs/dbraw/zinc/18/02/52/551180252.db2.gz BWJTXBWPUSZFJZ-UHFFFAOYSA-N -1 1 369.491 2.014 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000282359214 551217337 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O=C(c1ccc(Br)c([O-])c1)N1CCO[C@]2(CCCOC2)C1 ZINC000329177220 553896000 /nfs/dbraw/zinc/89/60/00/553896000.db2.gz NAQJWXRCEIQHFQ-OAHLLOKOSA-N -1 1 356.216 2.176 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000506596460 561703264 /nfs/dbraw/zinc/70/32/64/561703264.db2.gz UPDGHOMLYWGBBD-UHFFFAOYSA-N -1 1 363.391 2.322 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000329391599 553937380 /nfs/dbraw/zinc/93/73/80/553937380.db2.gz RVGASUGKRVBOSM-GXTWGEPZSA-N -1 1 356.216 2.175 20 0 FEADMM Cn1[n-]c(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1=O ZINC000329561094 553967440 /nfs/dbraw/zinc/96/74/40/553967440.db2.gz GCJDUONCLUOTMD-LBPRGKRZSA-N -1 1 374.832 2.191 20 0 FEADMM CCCN(CCC)C(=O)CCCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507887574 561744693 /nfs/dbraw/zinc/74/46/93/561744693.db2.gz KNNQOMVQHNQNLV-CQSZACIVSA-N -1 1 366.462 2.300 20 0 FEADMM O=c1[n-]nnn1-c1ccc(NS(=O)(=O)c2csc3ccccc32)cc1 ZINC000507889885 561744843 /nfs/dbraw/zinc/74/48/43/561744843.db2.gz PKFUXFVLTKQZTL-UHFFFAOYSA-N -1 1 373.419 2.383 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)nc2)c(C)cc1C ZINC000507890922 561744906 /nfs/dbraw/zinc/74/49/06/561744906.db2.gz SALYLBCXDOECDB-UHFFFAOYSA-N -1 1 350.396 2.294 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc23)C(F)(F)F)cn1 ZINC000508124354 561752612 /nfs/dbraw/zinc/75/26/12/561752612.db2.gz GAQAIXBHRMZXPG-CYBMUJFWSA-N -1 1 358.345 2.483 20 0 FEADMM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000330995626 554198864 /nfs/dbraw/zinc/19/88/64/554198864.db2.gz CNCCSYXHQHIUQM-VIFPVBQESA-N -1 1 371.261 2.132 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H](C)OC ZINC000508531344 561764985 /nfs/dbraw/zinc/76/49/85/561764985.db2.gz MKGLFWUCHHHINL-MRVPVSSYSA-N -1 1 370.254 2.483 20 0 FEADMM CC(=O)N[C@H](C)C1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000331088924 554211225 /nfs/dbraw/zinc/21/12/25/554211225.db2.gz UFKOYLJROJPWGJ-LLVKDONJSA-N -1 1 362.474 2.165 20 0 FEADMM COCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508772146 561772324 /nfs/dbraw/zinc/77/23/24/561772324.db2.gz GMJRMRNPSVTNBG-MRVPVSSYSA-N -1 1 370.254 2.483 20 0 FEADMM C[C@@H]1[C@@H](C)N(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)CCN1C ZINC000331659323 554303355 /nfs/dbraw/zinc/30/33/55/554303355.db2.gz MGODTTRCCUWQIJ-VXGBXAGGSA-N -1 1 363.462 2.824 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000509203119 561789945 /nfs/dbraw/zinc/78/99/45/561789945.db2.gz NXLBRIOPADCYTJ-UHFFFAOYSA-N -1 1 362.432 2.435 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2)c1 ZINC000509208094 561790110 /nfs/dbraw/zinc/79/01/10/561790110.db2.gz DFEALZVVVJHTAJ-UHFFFAOYSA-N -1 1 365.480 2.441 20 0 FEADMM CCO[C@@H](C)c1nc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cs1 ZINC000331760109 554321446 /nfs/dbraw/zinc/32/14/46/554321446.db2.gz DMWGKNHSWJFICY-WDEREUQCSA-N -1 1 366.443 2.278 20 0 FEADMM CCC(=O)c1ccc(OCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000509260482 561792674 /nfs/dbraw/zinc/79/26/74/561792674.db2.gz QGHDSZUGJWWQNA-UHFFFAOYSA-N -1 1 359.382 2.153 20 0 FEADMM O=C1CCc2cc([N-]S(=O)(=O)c3cccc4c3OCO4)c(F)cc2N1 ZINC000509387733 561797362 /nfs/dbraw/zinc/79/73/62/561797362.db2.gz OFXODGNZJWSJIO-UHFFFAOYSA-N -1 1 364.354 2.240 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000509435808 561799872 /nfs/dbraw/zinc/79/98/72/561799872.db2.gz IYGKSOVEGOVYDP-YUMQZZPRSA-N -1 1 370.254 2.075 20 0 FEADMM CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509539255 561804447 /nfs/dbraw/zinc/80/44/47/561804447.db2.gz IGQJGSCMFNRBOF-UHFFFAOYSA-N -1 1 366.399 2.044 20 0 FEADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000509576293 561805895 /nfs/dbraw/zinc/80/58/95/561805895.db2.gz DZFIQCZVSMYYLC-UHFFFAOYSA-N -1 1 366.370 2.356 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000332148109 554389948 /nfs/dbraw/zinc/38/99/48/554389948.db2.gz LAHUMHSCVMEPNA-YNEHKIRRSA-N -1 1 355.460 2.224 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1-n1ccc(C(N)=O)n1 ZINC000509645456 561808460 /nfs/dbraw/zinc/80/84/60/561808460.db2.gz AMGBGHMKNGUEMW-UHFFFAOYSA-N -1 1 374.397 2.220 20 0 FEADMM CCN(c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cn1)C(C)C ZINC000332316415 554423949 /nfs/dbraw/zinc/42/39/49/554423949.db2.gz KLFJHACWSWFCKG-AWEZNQCLSA-N -1 1 359.430 2.425 20 0 FEADMM CC(C)NC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000332391377 554437836 /nfs/dbraw/zinc/43/78/36/554437836.db2.gz ZPZJBQFMSLNSCL-ZDUSSCGKSA-N -1 1 373.413 2.325 20 0 FEADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000509919110 561818572 /nfs/dbraw/zinc/81/85/72/561818572.db2.gz KJMHBAMPZSHESN-GFCCVEGCSA-N -1 1 353.378 2.483 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(Oc3cnccn3)c2)n1 ZINC000509985651 561820925 /nfs/dbraw/zinc/82/09/25/561820925.db2.gz IBUIVFKWDRRAHD-UHFFFAOYSA-N -1 1 353.338 2.421 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2c(c1)CCCC2 ZINC000509990393 561821036 /nfs/dbraw/zinc/82/10/36/561821036.db2.gz UDMUBLNFRPJZCL-ZDUSSCGKSA-N -1 1 353.422 2.273 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@@H]1O ZINC000332509232 554458694 /nfs/dbraw/zinc/45/86/94/554458694.db2.gz CQOFCPORZZMBAU-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM CN(C(=O)CNC(=O)c1ncccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000510571845 561839191 /nfs/dbraw/zinc/83/91/91/561839191.db2.gz PYDKAGVTPJYXNX-UHFFFAOYSA-N -1 1 369.299 2.079 20 0 FEADMM C[C@@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)CC2(CCOCC2)O1 ZINC000333476070 554616645 /nfs/dbraw/zinc/61/66/45/554616645.db2.gz DZSUBKKASQVGRN-OAHLLOKOSA-N -1 1 372.444 3.002 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCc1nc(CC2CCCC2)no1 ZINC000349712802 554738982 /nfs/dbraw/zinc/73/89/82/554738982.db2.gz PBJDINHLDYXRHD-UHFFFAOYSA-N -1 1 373.457 2.228 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cn4cccn4)cc3)ccc2N1 ZINC000511150267 561859270 /nfs/dbraw/zinc/85/92/70/561859270.db2.gz NBUCBYHAQGSJJE-UHFFFAOYSA-N -1 1 368.418 2.227 20 0 FEADMM CCOc1cc(-c2noc([C@@H]3CCS(=O)(=O)C3)n2)cc(Cl)c1[O-] ZINC000350777472 554812602 /nfs/dbraw/zinc/81/26/02/554812602.db2.gz OSOOFJXLYWGERW-MRVPVSSYSA-N -1 1 358.803 2.396 20 0 FEADMM CCOc1cc(-c2noc(-c3ccc(S(=O)(=O)[N-]C)o3)n2)ccc1O ZINC000350797489 554814599 /nfs/dbraw/zinc/81/45/99/554814599.db2.gz YDAZSNAYPNKIAZ-UHFFFAOYSA-N -1 1 365.367 2.009 20 0 FEADMM NC(=O)[C@@H]1CC(c2nc(-c3ccc([O-])c(F)c3)no2)=NN1c1ccccc1 ZINC000350822680 554816356 /nfs/dbraw/zinc/81/63/56/554816356.db2.gz HKPPHGOCYMUBAF-AWEZNQCLSA-N -1 1 367.340 2.050 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000350840468 554817055 /nfs/dbraw/zinc/81/70/55/554817055.db2.gz VCTNTGQBEGGRQJ-UHFFFAOYSA-N -1 1 353.331 2.092 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3nccc4ccccc43)no2)co1 ZINC000350864921 554819191 /nfs/dbraw/zinc/81/91/91/554819191.db2.gz MJZKKGKHDIGJSX-UHFFFAOYSA-N -1 1 370.390 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)co1 ZINC000360701506 554886108 /nfs/dbraw/zinc/88/61/08/554886108.db2.gz XRKYCTQLKZOQBZ-ZFWWWQNUSA-N -1 1 362.451 2.281 20 0 FEADMM Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)n1 ZINC000362377759 554967561 /nfs/dbraw/zinc/96/75/61/554967561.db2.gz ZRODIGTZYWJREF-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1cc(F)c(F)cc1F ZINC000363011996 555009618 /nfs/dbraw/zinc/00/96/18/555009618.db2.gz WUOKZEJZGQVUIS-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM COC[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CCO1 ZINC000363282121 555070680 /nfs/dbraw/zinc/07/06/80/555070680.db2.gz HJBUEJKGRANWLD-CYBMUJFWSA-N -1 1 366.414 2.227 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCC1CCOCC1 ZINC000511857172 561883050 /nfs/dbraw/zinc/88/30/50/561883050.db2.gz DBJPAAYWLSPTIZ-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM O=C(CCc1ccccc1)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000511886329 561884291 /nfs/dbraw/zinc/88/42/91/561884291.db2.gz OMSQKPDELRXACY-UHFFFAOYSA-N -1 1 353.422 2.141 20 0 FEADMM COc1cc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363395997 555094614 /nfs/dbraw/zinc/09/46/14/555094614.db2.gz OZWMNBAMFFNMDI-CYBMUJFWSA-N -1 1 371.422 2.151 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H]1OCCc2ccsc21 ZINC000363412099 555099616 /nfs/dbraw/zinc/09/96/16/555099616.db2.gz VZWHZWXWSFWCRC-AWEZNQCLSA-N -1 1 372.450 2.434 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000363426338 555102902 /nfs/dbraw/zinc/10/29/02/555102902.db2.gz DZSYUEWMGTTZHN-CYBMUJFWSA-N -1 1 372.450 2.138 20 0 FEADMM Cc1nc(CN2CCC[C@H](NC(=O)c3cc(Cl)ccc3[O-])C2)no1 ZINC000363528040 555129418 /nfs/dbraw/zinc/12/94/18/555129418.db2.gz OELRYCDQAFDKDU-LBPRGKRZSA-N -1 1 350.806 2.131 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c([O-])c1 ZINC000363894139 555208821 /nfs/dbraw/zinc/20/88/21/555208821.db2.gz BPAZRQZPRHTMRJ-MJEQTWJJSA-N -1 1 371.393 2.238 20 0 FEADMM COCCCOc1cccc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512143596 561893864 /nfs/dbraw/zinc/89/38/64/561893864.db2.gz BJHUVCGZCGCHCY-UHFFFAOYSA-N -1 1 370.409 2.019 20 0 FEADMM Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)c2)n[nH]1 ZINC000512170881 561894930 /nfs/dbraw/zinc/89/49/30/561894930.db2.gz MTFNYZLERJQENR-UHFFFAOYSA-N -1 1 363.381 2.328 20 0 FEADMM CCOc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)cc(Cl)c1[O-] ZINC000364016253 555233899 /nfs/dbraw/zinc/23/38/99/555233899.db2.gz RYCSVLJYECHABK-LLVKDONJSA-N -1 1 353.762 2.041 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)cs1 ZINC000364120226 555253831 /nfs/dbraw/zinc/25/38/31/555253831.db2.gz MDDKTDPCZRCNAT-GFCCVEGCSA-N -1 1 358.485 2.085 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)C2CCN(c3cnccn3)CC2)c1Br ZINC000616012795 555263270 /nfs/dbraw/zinc/26/32/70/555263270.db2.gz MTANKHPVEHUVPM-UHFFFAOYSA-N -1 1 365.235 2.126 20 0 FEADMM CCn1nccc1C1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000364183993 555265025 /nfs/dbraw/zinc/26/50/25/555265025.db2.gz AWGDGZWTURCHNV-UHFFFAOYSA-N -1 1 361.471 2.449 20 0 FEADMM C[C@@H](c1nc(-c2cccc(F)c2)no1)S(=O)(=O)c1nc2ncncc2[n-]1 ZINC000364288412 555285336 /nfs/dbraw/zinc/28/53/36/555285336.db2.gz HAKWWQJNWGOUDW-QMMMGPOBSA-N -1 1 374.357 2.077 20 0 FEADMM C[C@@H](c1nc(-c2cccc(F)c2)no1)S(=O)(=O)c1nc2cncnc2[n-]1 ZINC000364288412 555285340 /nfs/dbraw/zinc/28/53/40/555285340.db2.gz HAKWWQJNWGOUDW-QMMMGPOBSA-N -1 1 374.357 2.077 20 0 FEADMM C[C@@H](c1nc(-c2cccc(F)c2)no1)S(=O)(=O)c1nc2c[n-]cnc-2n1 ZINC000364288412 555285343 /nfs/dbraw/zinc/28/53/43/555285343.db2.gz HAKWWQJNWGOUDW-QMMMGPOBSA-N -1 1 374.357 2.077 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(=O)NC)CC3)c1 ZINC000364293929 555286193 /nfs/dbraw/zinc/28/61/93/555286193.db2.gz CVQIPRFADMWBKR-UHFFFAOYSA-N -1 1 373.478 2.158 20 0 FEADMM O=C(N=c1cc(C2CC2)[nH][nH]1)c1cc(C(=O)Nc2cc(C3CC3)[nH]n2)[n-]n1 ZINC000616332882 555292625 /nfs/dbraw/zinc/29/26/25/555292625.db2.gz LKTPAUQOCSTZRD-UHFFFAOYSA-N -1 1 366.385 2.115 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(C)cccc32)o1 ZINC000364536405 555331918 /nfs/dbraw/zinc/33/19/18/555331918.db2.gz MMJHYDIJOOIWCL-LBPRGKRZSA-N -1 1 351.380 2.177 20 0 FEADMM O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1csc(=NC2CC2)[n-]1 ZINC000616910137 555358527 /nfs/dbraw/zinc/35/85/27/555358527.db2.gz FDJGERVIJPGIRF-HNNXBMFYSA-N -1 1 365.499 2.405 20 0 FEADMM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364744600 555391702 /nfs/dbraw/zinc/39/17/02/555391702.db2.gz FHTASXYWDJDQRV-KSSFIOAISA-N -1 1 361.438 2.398 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H](O)C1CCCCC1 ZINC000364840140 555412807 /nfs/dbraw/zinc/41/28/07/555412807.db2.gz DNRMOTCGLKYMST-UONOGXRCSA-N -1 1 367.812 2.139 20 0 FEADMM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000512606814 561910119 /nfs/dbraw/zinc/91/01/19/561910119.db2.gz FVVZHOLUIISAHI-NSHDSACASA-N -1 1 366.443 2.046 20 0 FEADMM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000512606814 561910121 /nfs/dbraw/zinc/91/01/21/561910121.db2.gz FVVZHOLUIISAHI-NSHDSACASA-N -1 1 366.443 2.046 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2c(s1)COCC2 ZINC000365120220 555490120 /nfs/dbraw/zinc/49/01/20/555490120.db2.gz XMCMWXFLUSUACB-UHFFFAOYSA-N -1 1 367.452 2.230 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2c(s1)CCS(=O)(=O)C2 ZINC000365321140 555541912 /nfs/dbraw/zinc/54/19/12/555541912.db2.gz UKFHNBJMUAFYAS-UHFFFAOYSA-N -1 1 358.828 2.225 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513471736 561939712 /nfs/dbraw/zinc/93/97/12/561939712.db2.gz RHANBNCBTOBXGB-UHFFFAOYSA-N -1 1 352.070 2.113 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513471736 561939713 /nfs/dbraw/zinc/93/97/13/561939713.db2.gz RHANBNCBTOBXGB-UHFFFAOYSA-N -1 1 352.070 2.113 20 0 FEADMM CC(C)(C)C[C@@H](O)CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000365888267 555692776 /nfs/dbraw/zinc/69/27/76/555692776.db2.gz ATWRPUYNONOMOC-HZMBPMFUSA-N -1 1 369.828 2.385 20 0 FEADMM CCCOc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)OC)co2)c1 ZINC000513847607 561952266 /nfs/dbraw/zinc/95/22/66/561952266.db2.gz PDMULNZMKCZLPJ-UHFFFAOYSA-N -1 1 367.423 2.376 20 0 FEADMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(C)C ZINC000513850429 561952474 /nfs/dbraw/zinc/95/24/74/561952474.db2.gz URYINIQWRLMMRR-CHWSQXEVSA-N -1 1 359.444 2.328 20 0 FEADMM CCOC(=O)C1(COC)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000366546790 555873133 /nfs/dbraw/zinc/87/31/33/555873133.db2.gz PMCOPBGMKANFRV-UHFFFAOYSA-N -1 1 355.818 2.478 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2F)n1 ZINC000366645673 555898006 /nfs/dbraw/zinc/89/80/06/555898006.db2.gz TZFWVBIVHJEWQG-AWEZNQCLSA-N -1 1 369.404 2.161 20 0 FEADMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cn1 ZINC000367950156 556180478 /nfs/dbraw/zinc/18/04/78/556180478.db2.gz KLMUJRDBSIQBDE-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM CCOc1cc(C(=O)N[C@H](C(=O)OC)c2cccnc2)cc(Cl)c1[O-] ZINC000515360433 562007027 /nfs/dbraw/zinc/00/70/27/562007027.db2.gz LUECAKJHUAISPR-AWEZNQCLSA-N -1 1 364.785 2.483 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000368861324 556432127 /nfs/dbraw/zinc/43/21/27/556432127.db2.gz VJBGXCFOWRTDFC-YJBOKZPZSA-N -1 1 368.433 2.133 20 0 FEADMM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000369407621 556594059 /nfs/dbraw/zinc/59/40/59/556594059.db2.gz MYTCLVCZKLDJQN-UHFFFAOYSA-N -1 1 355.373 2.460 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCC[C@@](C)(O)CC2)c([O-])c1 ZINC000370033670 556762850 /nfs/dbraw/zinc/76/28/50/556762850.db2.gz RRNPXWJHMNTGNW-LJQANCHMSA-N -1 1 373.409 2.318 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1OC ZINC000370134822 556790171 /nfs/dbraw/zinc/79/01/71/556790171.db2.gz XDRFFQGCTMROON-UHFFFAOYSA-N -1 1 374.422 2.300 20 0 FEADMM Cc1ccc(C2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)cn1 ZINC000370719411 556948648 /nfs/dbraw/zinc/94/86/48/556948648.db2.gz LCQVCVIQQCHRBE-UHFFFAOYSA-N -1 1 351.410 2.397 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000371104407 557076172 /nfs/dbraw/zinc/07/61/72/557076172.db2.gz PMWSVWXBUICCLS-CALCHBBNSA-N -1 1 372.446 2.491 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371661507 557255002 /nfs/dbraw/zinc/25/50/02/557255002.db2.gz QHLHSOMSJDRQOG-AWEZNQCLSA-N -1 1 359.389 2.360 20 0 FEADMM O=C(N=c1nc(-c2cccc(OC(F)F)c2)[nH][n-]1)c1ccc2nc[nH]c2n1 ZINC000371863004 557314012 /nfs/dbraw/zinc/31/40/12/557314012.db2.gz FRWFDBIPQLIWKH-UHFFFAOYSA-N -1 1 371.307 2.597 20 0 FEADMM CCOCCCc1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000371977373 557345027 /nfs/dbraw/zinc/34/50/27/557345027.db2.gz GCEFSSSFCXWOEC-UHFFFAOYSA-N -1 1 355.398 2.083 20 0 FEADMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccc(-n2cnnn2)c1 ZINC000518646894 562116001 /nfs/dbraw/zinc/11/60/01/562116001.db2.gz ZSKPCJJWPRLWFG-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000518883085 562120182 /nfs/dbraw/zinc/12/01/82/562120182.db2.gz VMIQLRHCBFSQGL-JOCHJYFZSA-N -1 1 352.437 2.183 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2nc(-c3ccc(C)cc3)n[n-]2)no1 ZINC000518896531 562120611 /nfs/dbraw/zinc/12/06/11/562120611.db2.gz MYXZMCAYLOAXQG-UHFFFAOYSA-N -1 1 361.427 2.480 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc(C)cc3)n2)no1 ZINC000518896531 562120612 /nfs/dbraw/zinc/12/06/12/562120612.db2.gz MYXZMCAYLOAXQG-UHFFFAOYSA-N -1 1 361.427 2.480 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](c3cccs3)C[C@@H]2C)co1 ZINC000372307665 557435570 /nfs/dbraw/zinc/43/55/70/557435570.db2.gz LZPHDHQICVANIR-WDEREUQCSA-N -1 1 354.453 2.267 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)c(F)c1 ZINC000519378297 562130600 /nfs/dbraw/zinc/13/06/00/562130600.db2.gz RNJWPVJMKFTEHH-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)c(F)c1 ZINC000519378297 562130601 /nfs/dbraw/zinc/13/06/01/562130601.db2.gz RNJWPVJMKFTEHH-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000372672630 557534251 /nfs/dbraw/zinc/53/42/51/557534251.db2.gz DXISIASKHNGMPY-DZGCQCFKSA-N -1 1 361.467 2.347 20 0 FEADMM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](C(C)C)N3CCOCC3)c12 ZINC000519600785 562136599 /nfs/dbraw/zinc/13/65/99/562136599.db2.gz CFGZTOQCKYLITL-LBPRGKRZSA-N -1 1 364.471 2.467 20 0 FEADMM O=S(=O)([N-]Cc1ccc(OCCO)cc1)c1cc(Cl)ccc1F ZINC000519592099 562136171 /nfs/dbraw/zinc/13/61/71/562136171.db2.gz RGXZTYATEUOFLM-UHFFFAOYSA-N -1 1 359.806 2.329 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)[nH]n2)o1 ZINC000373144786 557637316 /nfs/dbraw/zinc/63/73/16/557637316.db2.gz IKANMISXMHRRTO-UHFFFAOYSA-N -1 1 372.406 2.065 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CCO4)cc2[nH]1 ZINC000373247818 557658032 /nfs/dbraw/zinc/65/80/32/557658032.db2.gz TXIVCIMECJFGIW-UHFFFAOYSA-N -1 1 359.363 2.035 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000373317589 557671161 /nfs/dbraw/zinc/67/11/61/557671161.db2.gz JXHSBCZUOGWMCL-FBIMIBRVSA-N -1 1 351.332 2.127 20 0 FEADMM C[C@@H](NC(=O)[C@@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ccc(F)cc1 ZINC000373831596 557768997 /nfs/dbraw/zinc/76/89/97/557768997.db2.gz NPNOHKSNCHKYPX-VXGBXAGGSA-N -1 1 361.421 2.095 20 0 FEADMM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000374293993 557859969 /nfs/dbraw/zinc/85/99/69/557859969.db2.gz DULRKQGRPUPAAK-MRXNPFEDSA-N -1 1 352.394 2.082 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000374589547 557903374 /nfs/dbraw/zinc/90/33/74/557903374.db2.gz BLOCUEUHGUEWRW-OAHLLOKOSA-N -1 1 366.421 2.104 20 0 FEADMM COC(=O)[C@]12CCC[C@@H]1CN(C(=O)c1c[n-]c3[nH+]c(C)ccc3c1=O)C2 ZINC000374659109 557913161 /nfs/dbraw/zinc/91/31/61/557913161.db2.gz CXINOVCPTNRVQH-BLVKFPJESA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)[C@]12CCC[C@@H]1CN(C(=O)c1c[n-]c3nc(C)ccc3c1=O)C2 ZINC000374659109 557913163 /nfs/dbraw/zinc/91/31/63/557913163.db2.gz CXINOVCPTNRVQH-BLVKFPJESA-N -1 1 355.394 2.059 20 0 FEADMM O=C(NCc1ccccc1-n1cccn1)c1ccc2n[n-]c(=S)n2c1 ZINC000375086168 557975363 /nfs/dbraw/zinc/97/53/63/557975363.db2.gz ZJDKMZSFIPGNNM-UHFFFAOYSA-N -1 1 350.407 2.134 20 0 FEADMM O=C(Nc1cccc2c1CN(C1CC1)C2)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000375242453 557997249 /nfs/dbraw/zinc/99/72/49/557997249.db2.gz OGXQDDJDEMEHTN-UHFFFAOYSA-N -1 1 363.377 2.166 20 0 FEADMM CN1Cc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc2NC1=O ZINC000375405679 558021849 /nfs/dbraw/zinc/02/18/49/558021849.db2.gz TZBZMVKHHDXYBL-UHFFFAOYSA-N -1 1 367.408 2.224 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000377286462 558306698 /nfs/dbraw/zinc/30/66/98/558306698.db2.gz ODQISYRWQPQBFO-HUUCEWRRSA-N -1 1 365.407 2.265 20 0 FEADMM CC(C)[C@H](CNC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ccccc1 ZINC000377586242 558371307 /nfs/dbraw/zinc/37/13/07/558371307.db2.gz TUODVXJBLBUBJZ-KRWDZBQOSA-N -1 1 371.485 2.246 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@@H]3Cn3cncn3)nc2)[n-]c(=O)c1C ZINC000377837016 558431963 /nfs/dbraw/zinc/43/19/63/558431963.db2.gz ICWVHOVCTLTPPY-OAHLLOKOSA-N -1 1 351.414 2.122 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)C3)c1 ZINC000378036814 558467714 /nfs/dbraw/zinc/46/77/14/558467714.db2.gz OQLWJPKDDQWZML-UHFFFAOYSA-N -1 1 360.435 2.496 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc3c(c2)CCO3)c(=O)[n-]1 ZINC000523019743 562207399 /nfs/dbraw/zinc/20/73/99/562207399.db2.gz SIPOLTDTQISTLG-UHFFFAOYSA-N -1 1 359.451 2.396 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)no1 ZINC000378130248 558487596 /nfs/dbraw/zinc/48/75/96/558487596.db2.gz DUFGYBZRAULJQN-UHFFFAOYSA-N -1 1 350.425 2.121 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2ncon2)c(=O)[n-]1 ZINC000523143060 562208951 /nfs/dbraw/zinc/20/89/51/562208951.db2.gz MOELAPZVWISASN-LBPRGKRZSA-N -1 1 363.443 2.282 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCn2c(nnc2-c2cccnc2)C1 ZINC000378188980 558499112 /nfs/dbraw/zinc/49/91/12/558499112.db2.gz HFVPFIXTXQWBCN-UHFFFAOYSA-N -1 1 355.785 2.355 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nnc(C)n1CC)c1nc(C)cs1 ZINC000523226416 562209931 /nfs/dbraw/zinc/20/99/31/562209931.db2.gz HFAJNBWGWLYPHJ-GFCCVEGCSA-N -1 1 368.484 2.379 20 0 FEADMM Cc1ccc(N2CCC(NS(=O)(=O)c3cncc(Cl)c3)CC2)[nH+]c1 ZINC000378284422 558519615 /nfs/dbraw/zinc/51/96/15/558519615.db2.gz QRHORTHDISNQEV-UHFFFAOYSA-N -1 1 366.874 2.386 20 0 FEADMM Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000378515465 558573667 /nfs/dbraw/zinc/57/36/67/558573667.db2.gz DCFLHCIIMFFSCA-MNOVXSKESA-N -1 1 352.437 2.152 20 0 FEADMM COC(=O)[C@@H]1CCCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000378568995 558585566 /nfs/dbraw/zinc/58/55/66/558585566.db2.gz KNAVDBBKBOCHJL-ZDUSSCGKSA-N -1 1 367.471 2.089 20 0 FEADMM COC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000382559956 558604107 /nfs/dbraw/zinc/60/41/07/558604107.db2.gz KJDZIIMOUZQRAP-LLVKDONJSA-N -1 1 362.662 2.323 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCC[C@@H](C(=O)N(C)C)C3)cnc2n1 ZINC000524452251 562228801 /nfs/dbraw/zinc/22/88/01/562228801.db2.gz IHYGFBBTVVPCDY-CHWSQXEVSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c2=O ZINC000524452251 562228802 /nfs/dbraw/zinc/22/88/02/562228802.db2.gz IHYGFBBTVVPCDY-CHWSQXEVSA-N -1 1 356.426 2.021 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000524473950 562229319 /nfs/dbraw/zinc/22/93/19/562229319.db2.gz WGMXNPTYLHRNMC-UHFFFAOYSA-N -1 1 360.435 2.297 20 0 FEADMM O=C1COc2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)ccc2N1 ZINC000525008549 562239404 /nfs/dbraw/zinc/23/94/04/562239404.db2.gz JJPLLYXEKUJWKT-UHFFFAOYSA-N -1 1 358.297 2.236 20 0 FEADMM CO[C@@H](C)CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000525380595 562246958 /nfs/dbraw/zinc/24/69/58/562246958.db2.gz AVVCIDMNMVGLHZ-LBPRGKRZSA-N -1 1 360.476 2.242 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2ccc(F)c(Br)c2)[n-]n1 ZINC000413065400 559074450 /nfs/dbraw/zinc/07/44/50/559074450.db2.gz HXYLFTIMYPCVKB-UHFFFAOYSA-N -1 1 367.222 2.783 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CS[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000413735789 559127802 /nfs/dbraw/zinc/12/78/02/559127802.db2.gz XWGBBBITFFPDSV-GXSJLCMTSA-N -1 1 359.473 2.082 20 0 FEADMM CC(C)OCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000414001527 559145998 /nfs/dbraw/zinc/14/59/98/559145998.db2.gz PURUIVWJLQWPJL-UHFFFAOYSA-N -1 1 360.476 2.290 20 0 FEADMM COC(=O)[C@H]1CSCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000414042620 559148533 /nfs/dbraw/zinc/14/85/33/559148533.db2.gz OIJWKPYFLHKAFX-SNVBAGLBSA-N -1 1 359.831 2.032 20 0 FEADMM CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000414352674 559157882 /nfs/dbraw/zinc/15/78/82/559157882.db2.gz QCEBKRXUTGPIDQ-UHFFFAOYSA-N -1 1 374.509 2.260 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(-c2nncs2)cc1 ZINC000414386413 559160401 /nfs/dbraw/zinc/16/04/01/559160401.db2.gz TYSGNKPIQFBZDE-UHFFFAOYSA-N -1 1 355.441 2.146 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2n1CCCC2)c1cc(Cl)ccc1F ZINC000414460010 559165408 /nfs/dbraw/zinc/16/54/08/559165408.db2.gz JGZBMVAOCHXJFV-UHFFFAOYSA-N -1 1 372.853 2.318 20 0 FEADMM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(N(C)C)c2)c1Br ZINC000414473814 559167342 /nfs/dbraw/zinc/16/73/42/559167342.db2.gz WIKUGNBBSNJFOV-UHFFFAOYSA-N -1 1 359.249 2.347 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2cccc(OC(F)(F)F)c2)C1=O ZINC000414646935 559176967 /nfs/dbraw/zinc/17/69/67/559176967.db2.gz BHHIHOUTEYLJPP-KBPBESRZSA-N -1 1 374.359 2.385 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000416183822 559296912 /nfs/dbraw/zinc/29/69/12/559296912.db2.gz ZCUVMYUOEFZYMG-OCCSQVGLSA-N -1 1 373.409 2.325 20 0 FEADMM CCc1ccc([C@@H]2CCCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C2)cc1 ZINC000416247816 559300981 /nfs/dbraw/zinc/30/09/81/559300981.db2.gz YAAAUHYROMUZFI-CQSZACIVSA-N -1 1 357.410 2.479 20 0 FEADMM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)C1(O)CCOCC1 ZINC000416314270 559305118 /nfs/dbraw/zinc/30/51/18/559305118.db2.gz ATHBTVGGSOQVGG-UHFFFAOYSA-N -1 1 372.259 2.452 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccs1 ZINC000416388465 559309447 /nfs/dbraw/zinc/30/94/47/559309447.db2.gz LDRZGIASRWYPAM-CFVMTHIKSA-N -1 1 351.449 2.438 20 0 FEADMM COc1cc(NC(=O)NC(C)(C)COC(C)C)ccc1[N-]S(C)(=O)=O ZINC000416835227 559334508 /nfs/dbraw/zinc/33/45/08/559334508.db2.gz XZZDUZHSACUNOB-UHFFFAOYSA-N -1 1 373.475 2.392 20 0 FEADMM COc1ccc(NC(=O)NC(C)(C)COC(C)C)cc1[N-]S(C)(=O)=O ZINC000416890265 559336786 /nfs/dbraw/zinc/33/67/86/559336786.db2.gz WJXFWKADDRILRH-UHFFFAOYSA-N -1 1 373.475 2.392 20 0 FEADMM COc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417586173 559368163 /nfs/dbraw/zinc/36/81/63/559368163.db2.gz AQAQIFLNIFBTBM-CYBMUJFWSA-N -1 1 354.204 2.107 20 0 FEADMM COc1c(Cl)cc(Cl)cc1CNCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000417634635 559369537 /nfs/dbraw/zinc/36/95/37/559369537.db2.gz VMRCFDSBBAYBDG-JTQLQIEISA-N -1 1 361.225 2.025 20 0 FEADMM COc1cc(Cl)c(CNCCN2C[C@H](C(=O)[O-])CC2=O)cc1Cl ZINC000417629481 559369561 /nfs/dbraw/zinc/36/95/61/559369561.db2.gz QHQUJJCUESWGCH-SNVBAGLBSA-N -1 1 361.225 2.025 20 0 FEADMM COC(=O)c1cc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)n(C)c1C ZINC000417643725 559369780 /nfs/dbraw/zinc/36/97/80/559369780.db2.gz DFKGKUPEKGXZBN-UHFFFAOYSA-N -1 1 352.337 2.386 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420740135 559501578 /nfs/dbraw/zinc/50/15/78/559501578.db2.gz ZOIYAMCRYJEWNL-UHFFFAOYSA-N -1 1 353.347 2.066 20 0 FEADMM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCOCC1 ZINC000420768251 559503404 /nfs/dbraw/zinc/50/34/04/559503404.db2.gz WGGAYHZGOORLRT-JTQLQIEISA-N -1 1 351.827 2.342 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc2cc3c(cc2[nH]1)OCO3 ZINC000421233706 559532733 /nfs/dbraw/zinc/53/27/33/559532733.db2.gz OIGOHCWPRBDOOX-JTQLQIEISA-N -1 1 355.416 2.094 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3(C)C)co1 ZINC000421982575 559559147 /nfs/dbraw/zinc/55/91/47/559559147.db2.gz YBRFHXVMAPOJIT-UHFFFAOYSA-N -1 1 355.441 2.120 20 0 FEADMM COc1ccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])cc1OC ZINC000424249707 559659318 /nfs/dbraw/zinc/65/93/18/559659318.db2.gz AUQFSGJDSGXENL-CQSZACIVSA-N -1 1 350.415 2.362 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])n[nH]2)cc1OC ZINC000424267554 559660127 /nfs/dbraw/zinc/66/01/27/559660127.db2.gz VHIFHJNLWRFXMR-DIFFPNOSSA-N -1 1 373.409 2.419 20 0 FEADMM CC(C)C[C@H](CNC(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000424403010 559663160 /nfs/dbraw/zinc/66/31/60/559663160.db2.gz FCJGNHLCIGFEPS-OAHLLOKOSA-N -1 1 353.438 2.304 20 0 FEADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccnn2C)ccc1OCC(F)(F)F ZINC000424629783 559671631 /nfs/dbraw/zinc/67/16/31/559671631.db2.gz YHKVOAMAZWUBQR-CQSZACIVSA-N -1 1 373.331 2.285 20 0 FEADMM O=C(C[C@@H]1CSc2ccccc2O1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425300983 559695515 /nfs/dbraw/zinc/69/55/15/559695515.db2.gz LUHWJESBLYECTC-NWDGAFQWSA-N -1 1 361.423 2.425 20 0 FEADMM CCOCCOc1ccccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425303029 559695620 /nfs/dbraw/zinc/69/56/20/559695620.db2.gz OCPIRCBHIRXBEA-CYBMUJFWSA-N -1 1 361.398 2.210 20 0 FEADMM CCOc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H](c3n[n-]c(=O)o3)C1)CO2 ZINC000425308155 559695873 /nfs/dbraw/zinc/69/58/73/559695873.db2.gz VDUCTPVZTQAGON-OCCSQVGLSA-N -1 1 373.409 2.131 20 0 FEADMM O=C(c1cnc2c(Cl)cccc2c1O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425312270 559696276 /nfs/dbraw/zinc/69/62/76/559696276.db2.gz ZDNZLFUJBJGECH-VIFPVBQESA-N -1 1 374.784 2.290 20 0 FEADMM O=C(Cc1csc(-c2ccoc2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317502 559696427 /nfs/dbraw/zinc/69/64/27/559696427.db2.gz FYIPDRAFYSXIKI-UHFFFAOYSA-N -1 1 360.395 2.440 20 0 FEADMM COc1ccc(Br)c(CN[C@@H](Cn2cc(C)cn2)C(=O)[O-])c1 ZINC000426721741 559740937 /nfs/dbraw/zinc/74/09/37/559740937.db2.gz DDUQHYBAZVFQKD-AWEZNQCLSA-N -1 1 368.231 2.206 20 0 FEADMM CCOC(=O)[C@@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1 ZINC000426841785 559742734 /nfs/dbraw/zinc/74/27/34/559742734.db2.gz DXWUAWJFKGNHSB-AWEZNQCLSA-N -1 1 359.451 2.794 20 0 FEADMM CO[C@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc(O)cc1 ZINC000427088607 559747592 /nfs/dbraw/zinc/74/75/92/559747592.db2.gz UIMUCQAGTGRZKL-HNNXBMFYSA-N -1 1 368.386 2.229 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cnc1C ZINC000427268368 559751736 /nfs/dbraw/zinc/75/17/36/559751736.db2.gz AVEFLOYTSYUNFY-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1(F)F ZINC000427676298 559760249 /nfs/dbraw/zinc/76/02/49/559760249.db2.gz FMMOOTNWXDLZPP-JTQLQIEISA-N -1 1 364.414 2.474 20 0 FEADMM COc1cc(OC)cc(N2CCCN(C(=O)c3ncc(C)cc3[O-])CC2)c1 ZINC000427757642 559761767 /nfs/dbraw/zinc/76/17/67/559761767.db2.gz BAPBRUGJSPEGQD-UHFFFAOYSA-N -1 1 371.437 2.465 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000428403512 559774926 /nfs/dbraw/zinc/77/49/26/559774926.db2.gz PBVWWACYFCNAMU-JTQLQIEISA-N -1 1 373.814 2.465 20 0 FEADMM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000431639882 559843058 /nfs/dbraw/zinc/84/30/58/559843058.db2.gz ZNJPJJXNIBVRJV-JTQLQIEISA-N -1 1 350.843 2.310 20 0 FEADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432173495 559853388 /nfs/dbraw/zinc/85/33/88/559853388.db2.gz APADGINRVLXMMJ-HSZRJFAPSA-N -1 1 362.432 2.066 20 0 FEADMM CCCN(CCO)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000432244737 559854748 /nfs/dbraw/zinc/85/47/48/559854748.db2.gz FEEBFADXPQIOLN-UHFFFAOYSA-N -1 1 371.409 2.369 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)sc1C ZINC000432305720 559855920 /nfs/dbraw/zinc/85/59/20/559855920.db2.gz JPGIJPQQJTZFTR-UHFFFAOYSA-N -1 1 362.274 2.396 20 0 FEADMM CC(C)n1ncnc1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000432621824 559861935 /nfs/dbraw/zinc/86/19/35/559861935.db2.gz XADXDRWVSDNQNP-UHFFFAOYSA-N -1 1 366.834 2.271 20 0 FEADMM CC(C)n1ncnc1CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000432621824 559861936 /nfs/dbraw/zinc/86/19/36/559861936.db2.gz XADXDRWVSDNQNP-UHFFFAOYSA-N -1 1 366.834 2.271 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c2ccc(F)cc2O1 ZINC000433518266 559883482 /nfs/dbraw/zinc/88/34/82/559883482.db2.gz TZGMVSYKBDCEMC-VIFPVBQESA-N -1 1 367.354 2.206 20 0 FEADMM CCN(c1ccccc1OC)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433526571 559883669 /nfs/dbraw/zinc/88/36/69/559883669.db2.gz BGVZIGBFCVPOJQ-UHFFFAOYSA-N -1 1 351.380 2.314 20 0 FEADMM COC(=O)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433663195 559885790 /nfs/dbraw/zinc/88/57/90/559885790.db2.gz UZFUJAXTQLGTMY-UHFFFAOYSA-N -1 1 362.654 2.005 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCC(C)C)c2)n1 ZINC000433962616 559891463 /nfs/dbraw/zinc/89/14/63/559891463.db2.gz PTGSBXIIBYBFQZ-UHFFFAOYSA-N -1 1 359.430 2.494 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1C(N)=O ZINC000434964908 559913528 /nfs/dbraw/zinc/91/35/28/559913528.db2.gz RRIUYZRUESKERT-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM CC(C)N1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000435428866 559922685 /nfs/dbraw/zinc/92/26/85/559922685.db2.gz UTTCMYIHHRKMJR-SECBINFHSA-N -1 1 369.245 2.420 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000435468924 559923827 /nfs/dbraw/zinc/92/38/27/559923827.db2.gz RQZKZLBWTZKAFH-UHFFFAOYSA-N -1 1 368.499 2.348 20 0 FEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCCC(N)=O)cc1 ZINC000436019794 559933755 /nfs/dbraw/zinc/93/37/55/559933755.db2.gz CYGNKSXEZAQUHE-UHFFFAOYSA-N -1 1 366.464 2.464 20 0 FEADMM C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000436175737 559936722 /nfs/dbraw/zinc/93/67/22/559936722.db2.gz GTMGNGPQFLQTJJ-QWRGUYRKSA-N -1 1 364.464 2.006 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2C2N=NC(=O)O2)c1 ZINC000436477921 559942328 /nfs/dbraw/zinc/94/23/28/559942328.db2.gz NLLSFFHAUQVJJJ-UHFFFAOYSA-N -1 1 361.379 2.389 20 0 FEADMM O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1cccc(Cl)c1[O-] ZINC000436477342 559942421 /nfs/dbraw/zinc/94/24/21/559942421.db2.gz MDMQGBZLZDLTMF-UHFFFAOYSA-N -1 1 364.814 2.486 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(OC)c3c(c2)OCCO3)c1 ZINC000436501960 559943186 /nfs/dbraw/zinc/94/31/86/559943186.db2.gz BZKYOHQHGBFRCB-UHFFFAOYSA-N -1 1 359.334 2.211 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2noc(-c3cccc(OC)c3)n2)c1 ZINC000436501325 559943280 /nfs/dbraw/zinc/94/32/80/559943280.db2.gz CGYUBVYRXGXSJT-UHFFFAOYSA-N -1 1 369.333 2.490 20 0 FEADMM COC(=O)c1ccc(O)c([N-]C(=O)c2noc(-c3cccc(OC)c3)n2)c1 ZINC000436501325 559943281 /nfs/dbraw/zinc/94/32/81/559943281.db2.gz CGYUBVYRXGXSJT-UHFFFAOYSA-N -1 1 369.333 2.490 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cn(C)c(=O)c3ccccc23)c1 ZINC000436504276 559943579 /nfs/dbraw/zinc/94/35/79/559943579.db2.gz MMLJVJHKKMFQKG-UHFFFAOYSA-N -1 1 352.346 2.283 20 0 FEADMM O=C(NCCNC(=O)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000436551715 559945118 /nfs/dbraw/zinc/94/51/18/559945118.db2.gz RJRKKQIGDNSXIS-UHFFFAOYSA-N -1 1 354.740 2.484 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)N=c1cc[nH][nH]1 ZINC000436567600 559945632 /nfs/dbraw/zinc/94/56/32/559945632.db2.gz OSTGKEBOIXEPAY-MRXNPFEDSA-N -1 1 366.421 3.052 20 0 FEADMM O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cc(Br)ccc1[O-] ZINC000436566460 559945678 /nfs/dbraw/zinc/94/56/78/559945678.db2.gz PSWCOEMKSJVTAO-UHFFFAOYSA-N -1 1 365.109 2.222 20 0 FEADMM COC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C(=O)OC ZINC000436598325 559946119 /nfs/dbraw/zinc/94/61/19/559946119.db2.gz SVZKIIQIEOQTOR-GDBMZVCRSA-N -1 1 371.389 2.112 20 0 FEADMM O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000436638442 559947302 /nfs/dbraw/zinc/94/73/02/559947302.db2.gz DUNJFCCLFGZZHI-ZDUSSCGKSA-N -1 1 369.295 2.323 20 0 FEADMM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436674245 559948496 /nfs/dbraw/zinc/94/84/96/559948496.db2.gz USDVUJMMDZEOFT-UHFFFAOYSA-N -1 1 364.423 2.427 20 0 FEADMM CS(=O)(=O)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCC1 ZINC000436676574 559948550 /nfs/dbraw/zinc/94/85/50/559948550.db2.gz QYHXTIOMIXMCJJ-UHFFFAOYSA-N -1 1 365.373 2.498 20 0 FEADMM O=C(NCC1CCN(C(=O)c2cc(F)ccc2[O-])CC1)c1ccccn1 ZINC000436763227 559951314 /nfs/dbraw/zinc/95/13/14/559951314.db2.gz GEYBZGSCVIGGSJ-UHFFFAOYSA-N -1 1 357.385 2.209 20 0 FEADMM COC(=O)C[C@@](C)(NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(OC)c1 ZINC000436775739 559951654 /nfs/dbraw/zinc/95/16/54/559951654.db2.gz RBDVLQRJOMSHCL-HXUWFJFHSA-N -1 1 371.389 2.178 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)ccc1O ZINC000436807526 559952742 /nfs/dbraw/zinc/95/27/42/559952742.db2.gz IMGJIVYZPAIJER-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM NC(=O)c1ccc(CN(C(=O)C(=O)c2ccc([O-])cc2)C2CC2)c(F)c1 ZINC000436846343 559954090 /nfs/dbraw/zinc/95/40/90/559954090.db2.gz MIKUVSAPKIZGPZ-UHFFFAOYSA-N -1 1 356.353 2.004 20 0 FEADMM O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccc([O-])cc1 ZINC000437002081 559959156 /nfs/dbraw/zinc/95/91/56/559959156.db2.gz QPCCPLCNTWTTDS-LBPRGKRZSA-N -1 1 358.781 2.150 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2csc([C@H](C)OC)n2)o1 ZINC000437292175 559962840 /nfs/dbraw/zinc/96/28/40/559962840.db2.gz JMCBMBQAVANPDJ-VIFPVBQESA-N -1 1 374.440 2.099 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)cc1OC ZINC000437342022 559963523 /nfs/dbraw/zinc/96/35/23/559963523.db2.gz NJMOTWLMWRRIMM-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM Cc1ccc([C@@H](NC(=O)c2ncc(C)cc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000437845436 559970561 /nfs/dbraw/zinc/97/05/61/559970561.db2.gz RZRNDQMMSQAQEZ-CJNGLKHVSA-N -1 1 362.451 2.308 20 0 FEADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000438715826 559982711 /nfs/dbraw/zinc/98/27/11/559982711.db2.gz KURWCCQBJPHSKN-UHFFFAOYSA-N -1 1 362.407 2.469 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2N)cc1 ZINC000439255317 559990852 /nfs/dbraw/zinc/99/08/52/559990852.db2.gz GRGORFAJDWCTQY-UHFFFAOYSA-N -1 1 350.396 2.255 20 0 FEADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)[nH]n1 ZINC000442615434 560053566 /nfs/dbraw/zinc/05/35/66/560053566.db2.gz DLZKIGJKBDRHLE-UHFFFAOYSA-N -1 1 350.444 2.111 20 0 FEADMM CCC[C@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1nn[n-]n1 ZINC000442678082 560054675 /nfs/dbraw/zinc/05/46/75/560054675.db2.gz CVZDJXMCPSHARM-VIFPVBQESA-N -1 1 354.201 2.425 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000443011882 560065660 /nfs/dbraw/zinc/06/56/60/560065660.db2.gz HXIOEAKTJPYZDG-CYBMUJFWSA-N -1 1 369.830 2.206 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@H](C)CO ZINC000443233234 560075583 /nfs/dbraw/zinc/07/55/83/560075583.db2.gz IFIHJDPQBREDOF-PHDIDXHHSA-N -1 1 362.698 2.459 20 0 FEADMM CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(Br)ccc2[O-])C1(C)C ZINC000444586541 560116177 /nfs/dbraw/zinc/11/61/77/560116177.db2.gz OXHMRPZVLHODME-CZUORRHYSA-N -1 1 372.259 2.451 20 0 FEADMM CCc1c(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)[nH]c(C)c1C(N)=O ZINC000444781710 560120696 /nfs/dbraw/zinc/12/06/96/560120696.db2.gz GWJUSMHGRVZXSI-UHFFFAOYSA-N -1 1 369.400 3.074 20 0 FEADMM O=c1[nH]c2ccccc2c(=O)n1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476382 560132318 /nfs/dbraw/zinc/13/23/18/560132318.db2.gz BTDFSNDWVJZLSX-UHFFFAOYSA-N -1 1 354.297 2.045 20 0 FEADMM COc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000446159253 560140885 /nfs/dbraw/zinc/14/08/85/560140885.db2.gz YRYHBVPXNDAAIY-TUAOUCFPSA-N -1 1 371.459 2.096 20 0 FEADMM Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc21 ZINC000447271904 560159269 /nfs/dbraw/zinc/15/92/69/560159269.db2.gz ARCMRJWRCCKEAV-UHFFFAOYSA-N -1 1 371.374 2.186 20 0 FEADMM CC(C)[C@H](C)NC(=O)CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447478542 560162999 /nfs/dbraw/zinc/16/29/99/560162999.db2.gz MBCAZXWGXNJPRV-NSHDSACASA-N -1 1 353.419 2.150 20 0 FEADMM CC(C)[C@H](C)NC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447478542 560163000 /nfs/dbraw/zinc/16/30/00/560163000.db2.gz MBCAZXWGXNJPRV-NSHDSACASA-N -1 1 353.419 2.150 20 0 FEADMM C[C@@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000447493916 560163253 /nfs/dbraw/zinc/16/32/53/560163253.db2.gz ZERVMTZLNVGWKH-LBPRGKRZSA-N -1 1 364.471 2.096 20 0 FEADMM C[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000447493915 560163329 /nfs/dbraw/zinc/16/33/29/560163329.db2.gz ZERVMTZLNVGWKH-GFCCVEGCSA-N -1 1 364.471 2.096 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3oc(C)nc3C)c2)n1 ZINC000447676950 560166543 /nfs/dbraw/zinc/16/65/43/560166543.db2.gz GPXIQKZQQPTXMT-UHFFFAOYSA-N -1 1 369.381 2.183 20 0 FEADMM N=c1nc(N2CCN(CCCc3c(F)cccc3Cl)CC2)s[n-]1 ZINC000447730610 560168098 /nfs/dbraw/zinc/16/80/98/560168098.db2.gz RVXRBLZTSXOOFM-UHFFFAOYSA-N -1 1 355.870 2.668 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@@H]1CCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000447929861 560173713 /nfs/dbraw/zinc/17/37/13/560173713.db2.gz JUVSTAQAVLQUBB-MNOVXSKESA-N -1 1 374.673 2.465 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(Br)c(F)c1F ZINC000528597612 562337822 /nfs/dbraw/zinc/33/78/22/562337822.db2.gz CVYVEFIHOITDDR-UHFFFAOYSA-N -1 1 372.173 2.440 20 0 FEADMM COC(=O)C[C@@H](C)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450697406 560270452 /nfs/dbraw/zinc/27/04/52/560270452.db2.gz AABYBFGMUUPHGK-QMMMGPOBSA-N -1 1 352.778 2.359 20 0 FEADMM COC(=O)C[C@@H](C)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450697406 560270453 /nfs/dbraw/zinc/27/04/53/560270453.db2.gz AABYBFGMUUPHGK-QMMMGPOBSA-N -1 1 352.778 2.359 20 0 FEADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)N1CCOCC1 ZINC000451019752 560282774 /nfs/dbraw/zinc/28/27/74/560282774.db2.gz SZVZKPYLOGUBBJ-GFCCVEGCSA-N -1 1 352.909 2.037 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000451029963 560283256 /nfs/dbraw/zinc/28/32/56/560283256.db2.gz SXAKOAJQFNVFQB-UHFFFAOYSA-N -1 1 354.285 2.206 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)c1OC ZINC000451069551 560285612 /nfs/dbraw/zinc/28/56/12/560285612.db2.gz LSBKDNNHHOSCRP-ZETCQYMHSA-N -1 1 371.789 2.457 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCN(c2ncccn2)C1)c1sccc1Cl ZINC000451081070 560286001 /nfs/dbraw/zinc/28/60/01/560286001.db2.gz QYKYLEOCNOYARL-SNVBAGLBSA-N -1 1 358.876 2.139 20 0 FEADMM CN(C)c1cc([N-]S(=O)(=O)CCCCF)ncc1Br ZINC000451096153 560286840 /nfs/dbraw/zinc/28/68/40/560286840.db2.gz NRFCXNNTTURUKX-UHFFFAOYSA-N -1 1 354.245 2.402 20 0 FEADMM Cc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc(C(N)=O)c1 ZINC000451098165 560286955 /nfs/dbraw/zinc/28/69/55/560286955.db2.gz WAXGUFMPZAYNDP-UHFFFAOYSA-N -1 1 351.428 2.321 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c1 ZINC000451112729 560287885 /nfs/dbraw/zinc/28/78/85/560287885.db2.gz HJMYOJTZMMBPHK-UHFFFAOYSA-N -1 1 364.427 2.026 20 0 FEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000451118790 560288267 /nfs/dbraw/zinc/28/82/67/560288267.db2.gz YQVCGNNIZCBWRG-UHFFFAOYSA-N -1 1 374.369 2.034 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C)CC2)c(F)c1 ZINC000451276948 560297665 /nfs/dbraw/zinc/29/76/65/560297665.db2.gz QLGREBRVVQZWLQ-UHFFFAOYSA-N -1 1 364.464 2.056 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCOCC1 ZINC000451350956 560302054 /nfs/dbraw/zinc/30/20/54/560302054.db2.gz HVAAURNRDPKSMR-LLVKDONJSA-N -1 1 367.876 2.038 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H](C)F)c(F)c1 ZINC000451577170 560315811 /nfs/dbraw/zinc/31/58/11/560315811.db2.gz AFVSDRUYMGMGEE-JTQLQIEISA-N -1 1 370.443 2.004 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000451706504 560323467 /nfs/dbraw/zinc/32/34/67/560323467.db2.gz CDDRSFWIPLTOBM-ZWNOBZJWSA-N -1 1 351.380 2.257 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(OC)c3)C2)c1 ZINC000451966654 560341158 /nfs/dbraw/zinc/34/11/58/560341158.db2.gz PDYGWESIXGBDQQ-MQMHXKEQSA-N -1 1 365.407 2.299 20 0 FEADMM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccncc1 ZINC000452046150 560347651 /nfs/dbraw/zinc/34/76/51/560347651.db2.gz HDLKUADFHLXCJG-AWEZNQCLSA-N -1 1 370.377 2.333 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)nc2C(C)C)c1 ZINC000452163116 560354253 /nfs/dbraw/zinc/35/42/53/560354253.db2.gz BNBDKUDRPCVSOD-UHFFFAOYSA-N -1 1 363.439 2.379 20 0 FEADMM COC[C@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(Cl)cc1 ZINC000452744593 560372743 /nfs/dbraw/zinc/37/27/43/560372743.db2.gz CQETWHHQWDUWMP-LBPRGKRZSA-N -1 1 374.828 2.487 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000453005239 560380871 /nfs/dbraw/zinc/38/08/71/560380871.db2.gz PKRYZQFMWLDJEQ-KYOSRNDESA-N -1 1 369.845 2.446 20 0 FEADMM COc1cc(NC(=O)N[C@@H](C)[C@@H](OC)C2CC2)ccc1[N-]S(C)(=O)=O ZINC000454772977 560457671 /nfs/dbraw/zinc/45/76/71/560457671.db2.gz LZZKMCNSOJTBBY-ZUZCIYMTSA-N -1 1 371.459 2.002 20 0 FEADMM O=C1CCCN1C1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459346448 560681301 /nfs/dbraw/zinc/68/13/01/560681301.db2.gz WOYCVBKJSGIMJF-UHFFFAOYSA-N -1 1 352.438 2.436 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)c1 ZINC000461340971 560767186 /nfs/dbraw/zinc/76/71/86/560767186.db2.gz JKOZTLGKQFRRQN-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)cc1 ZINC000461345911 560767438 /nfs/dbraw/zinc/76/74/38/560767438.db2.gz URPNVWWRXVTSMW-UHFFFAOYSA-N -1 1 358.423 2.042 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000461459384 560772427 /nfs/dbraw/zinc/77/24/27/560772427.db2.gz DMAGPDGUNMFNIN-UHFFFAOYSA-N -1 1 373.390 2.208 20 0 FEADMM CCOc1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])ccc1C ZINC000461462150 560772576 /nfs/dbraw/zinc/77/25/76/560772576.db2.gz CRBWLKZAVNHVTH-UHFFFAOYSA-N -1 1 364.423 2.260 20 0 FEADMM Cc1ccc(C)c(-n2ccnc2SCC(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000461649485 560778697 /nfs/dbraw/zinc/77/86/97/560778697.db2.gz TYKGOBQETJCRMS-UHFFFAOYSA-N -1 1 371.470 2.146 20 0 FEADMM O=C(Nc1ccc(Cl)cc1[O-])C(=O)N1CCN(c2ccccc2)CC1 ZINC000462260165 560803399 /nfs/dbraw/zinc/80/33/99/560803399.db2.gz RTUFJPXXRZEECQ-UHFFFAOYSA-N -1 1 359.813 2.333 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)c(C)c2)co1 ZINC000462450708 560810359 /nfs/dbraw/zinc/81/03/59/560810359.db2.gz DYXKULQRXWNYAS-UHFFFAOYSA-N -1 1 356.831 2.122 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@H]3CCC[C@@H]3C)CC2)n1 ZINC000466708570 560893169 /nfs/dbraw/zinc/89/31/69/560893169.db2.gz ZEMFTRRPVLHQAJ-GXTWGEPZSA-N -1 1 363.462 2.307 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(O)cc(OC)c3)cc2oc1=O ZINC000466977691 560900768 /nfs/dbraw/zinc/90/07/68/560900768.db2.gz UIISFSBPCBBUDS-UHFFFAOYSA-N -1 1 364.379 2.129 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)N=c1cc(C)c(C)n[n-]1)N1CCCC1 ZINC000467483726 560910908 /nfs/dbraw/zinc/91/09/08/560910908.db2.gz DPMMQRKHAMBCQI-QGZVFWFLSA-N -1 1 369.469 3.061 20 0 FEADMM CN(CCCOCc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000467810594 560917888 /nfs/dbraw/zinc/91/78/88/560917888.db2.gz VMPSSSXWQKTDDX-UHFFFAOYSA-N -1 1 354.410 2.353 20 0 FEADMM CCn1ncc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)cc21 ZINC000468680022 560936049 /nfs/dbraw/zinc/93/60/49/560936049.db2.gz BEUAAGQJIGBNLX-UHFFFAOYSA-N -1 1 364.365 2.366 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1OC)C(F)(F)F ZINC000468924428 560942370 /nfs/dbraw/zinc/94/23/70/560942370.db2.gz LGZJLEWMOADEDN-NSHDSACASA-N -1 1 355.334 2.101 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccsc1 ZINC000469071834 560946405 /nfs/dbraw/zinc/94/64/05/560946405.db2.gz WTEYGVQAMKTELA-BONVTDFDSA-N -1 1 367.448 2.264 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(F)(F)F ZINC000469931976 560969329 /nfs/dbraw/zinc/96/93/29/560969329.db2.gz BATFCJBSHPHIOK-VIFPVBQESA-N -1 1 356.366 2.427 20 0 FEADMM Cc1ccc(-c2cnc(NC(=O)c3cc(=O)n4[n-]cnc4n3)s2)c(C)c1 ZINC000470626824 560986205 /nfs/dbraw/zinc/98/62/05/560986205.db2.gz OAMRYXQSRQFZKW-UHFFFAOYSA-N -1 1 366.406 2.410 20 0 FEADMM COc1cccc(-c2nc(C(=O)[N-]c3cc(C(N)=O)ccc3F)no2)c1 ZINC000471209030 561000467 /nfs/dbraw/zinc/00/04/67/561000467.db2.gz XGWHSLUSCBUNBS-UHFFFAOYSA-N -1 1 356.313 2.236 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cn(CC)cn1)c1cccc(C)c1C ZINC000472745197 561034285 /nfs/dbraw/zinc/03/42/85/561034285.db2.gz DLLBRHRAESWLDM-INIZCTEOSA-N -1 1 365.455 2.103 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C(C)(C)CF)c1 ZINC000472928199 561038124 /nfs/dbraw/zinc/03/81/24/561038124.db2.gz MVMRXGKXSLANMD-UHFFFAOYSA-N -1 1 351.371 2.037 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000473360448 561048260 /nfs/dbraw/zinc/04/82/60/561048260.db2.gz LFOFOMHHIIOJOQ-UHFFFAOYSA-N -1 1 368.393 2.398 20 0 FEADMM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000473916013 561060587 /nfs/dbraw/zinc/06/05/87/561060587.db2.gz YTCITQKYJJGAON-QMMMGPOBSA-N -1 1 369.245 2.420 20 0 FEADMM CCC[C@H](NC(=O)CCC(=O)c1ccc(OCC)c(F)c1)c1nn[n-]n1 ZINC000474488657 561075311 /nfs/dbraw/zinc/07/53/11/561075311.db2.gz IMTKNRWTTXMMSL-ZDUSSCGKSA-N -1 1 363.393 2.358 20 0 FEADMM Cc1ccc(SC[C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000474580299 561077383 /nfs/dbraw/zinc/07/73/83/561077383.db2.gz RKXXZKHAHYQRMN-CYBMUJFWSA-N -1 1 359.451 2.122 20 0 FEADMM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1oc(CC2CC2)nc1C ZINC000475823180 561106255 /nfs/dbraw/zinc/10/62/55/561106255.db2.gz ZXISSNUVFMXSLG-UHFFFAOYSA-N -1 1 361.354 2.089 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2oc(CC3CC3)nc2C)s1 ZINC000475958008 561108400 /nfs/dbraw/zinc/10/84/00/561108400.db2.gz MOORMTQDCLUDIR-UHFFFAOYSA-N -1 1 350.400 2.145 20 0 FEADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc21 ZINC000476429319 561119250 /nfs/dbraw/zinc/11/92/50/561119250.db2.gz FEXYHTWVYDHOHP-UHFFFAOYSA-N -1 1 360.391 2.125 20 0 FEADMM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000477018995 561134475 /nfs/dbraw/zinc/13/44/75/561134475.db2.gz KWEYQDYQXVSFKI-UHFFFAOYSA-N -1 1 362.821 2.257 20 0 FEADMM O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1(c2nn[n-]n2)CC1 ZINC000477048027 561135081 /nfs/dbraw/zinc/13/50/81/561135081.db2.gz WYIKXRZARNQIQM-UHFFFAOYSA-N -1 1 366.859 2.386 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000477057413 561135488 /nfs/dbraw/zinc/13/54/88/561135488.db2.gz NOVHEJODGQPJJH-UHFFFAOYSA-N -1 1 351.332 2.446 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccccc1SCc1cscn1 ZINC000477060340 561135567 /nfs/dbraw/zinc/13/55/67/561135567.db2.gz UCYVRAHTIAMWMU-UHFFFAOYSA-N -1 1 358.452 2.368 20 0 FEADMM CCn1c(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)nc2cccnc21 ZINC000477218376 561139574 /nfs/dbraw/zinc/13/95/74/561139574.db2.gz IAYDFNPRSCZXPP-UHFFFAOYSA-N -1 1 373.438 2.465 20 0 FEADMM CCn1ncc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000528445707 562329776 /nfs/dbraw/zinc/32/97/76/562329776.db2.gz HZUJCNMLBVPHIH-UHFFFAOYSA-N -1 1 368.768 2.449 20 0 FEADMM CC1(C)COc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)ccc21 ZINC000530141844 562399573 /nfs/dbraw/zinc/39/95/73/562399573.db2.gz NQBFIHFVYQOKFT-UHFFFAOYSA-N -1 1 372.446 2.443 20 0 FEADMM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC000530163554 562400820 /nfs/dbraw/zinc/40/08/20/562400820.db2.gz PACSSOIUNWPARZ-SNVBAGLBSA-N -1 1 369.347 2.307 20 0 FEADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CCOc1cccc(S(C)(=O)=O)c1 ZINC000530173108 562401315 /nfs/dbraw/zinc/40/13/15/562401315.db2.gz CMDNPUGSWNTGSX-CHWSQXEVSA-N -1 1 355.456 2.043 20 0 FEADMM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000530170611 562401403 /nfs/dbraw/zinc/40/14/03/562401403.db2.gz UDZFOLOUADUENB-WBMJQRKESA-N -1 1 351.786 2.357 20 0 FEADMM CCC[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccc(Cl)c1 ZINC000530262334 562404531 /nfs/dbraw/zinc/40/45/31/562404531.db2.gz OIZYLTPRIHWHOB-NSHDSACASA-N -1 1 356.835 2.384 20 0 FEADMM CCC[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccc(Cl)c1 ZINC000530262334 562404532 /nfs/dbraw/zinc/40/45/32/562404532.db2.gz OIZYLTPRIHWHOB-NSHDSACASA-N -1 1 356.835 2.384 20 0 FEADMM Cc1cc(NCCNC(=O)c2ccc(Br)cc2[O-])n(C)n1 ZINC000530546685 562415552 /nfs/dbraw/zinc/41/55/52/562415552.db2.gz BFYNXZZBIBCNCP-UHFFFAOYSA-N -1 1 353.220 2.039 20 0 FEADMM C[C@H](SCC(=O)NC1(c2nn[n-]n2)CCCC1)c1nc2ccccc2[nH]1 ZINC000531072871 562433930 /nfs/dbraw/zinc/43/39/30/562433930.db2.gz SAFVIUBJWMAHQM-NSHDSACASA-N -1 1 371.470 2.456 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)[nH]n1 ZINC000531883445 562459891 /nfs/dbraw/zinc/45/98/91/562459891.db2.gz JGGXPWGLYAQOEG-UHFFFAOYSA-N -1 1 353.444 2.497 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000532273124 562472267 /nfs/dbraw/zinc/47/22/67/562472267.db2.gz VEXUODGXACNIFN-CQSZACIVSA-N -1 1 358.442 2.202 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1cccc(O)c1 ZINC000533183805 562500691 /nfs/dbraw/zinc/50/06/91/562500691.db2.gz MEKPWUWVQDRVLU-UHFFFAOYSA-N -1 1 364.405 2.047 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000533441382 562508758 /nfs/dbraw/zinc/50/87/58/562508758.db2.gz XHVUTUVVJFDRFX-VXGBXAGGSA-N -1 1 367.450 2.349 20 0 FEADMM O=C(Nc1ccncc1[O-])c1cccc(F)c1I ZINC000533544873 562512580 /nfs/dbraw/zinc/51/25/80/562512580.db2.gz PQRHTUTXLWDCGJ-UHFFFAOYSA-N -1 1 358.110 2.205 20 0 FEADMM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2nccn2C(F)F)[n-]1 ZINC000533788555 562518098 /nfs/dbraw/zinc/51/80/98/562518098.db2.gz MVGBBJZLDSTJOY-HSZRJFAPSA-N -1 1 356.276 2.242 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000534882596 562544582 /nfs/dbraw/zinc/54/45/82/562544582.db2.gz DGQPHFKEEWDMOY-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC000535095381 562551101 /nfs/dbraw/zinc/55/11/01/562551101.db2.gz MNNFQOKRLYAWKM-UHFFFAOYSA-N -1 1 359.357 2.444 20 0 FEADMM CC[C@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@H]1CCCO1 ZINC000535215984 562553281 /nfs/dbraw/zinc/55/32/81/562553281.db2.gz LTHBKKDZTKWTDF-GXTWGEPZSA-N -1 1 371.459 2.146 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)cc1CC ZINC000535233118 562553607 /nfs/dbraw/zinc/55/36/07/562553607.db2.gz IZCZBPFFBCQRLJ-UHFFFAOYSA-N -1 1 363.439 2.115 20 0 FEADMM O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccco2)n[nH]1 ZINC000535254555 562554191 /nfs/dbraw/zinc/55/41/91/562554191.db2.gz QCYUOAGUEKQYPO-UHFFFAOYSA-N -1 1 353.338 2.392 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000535780713 562567830 /nfs/dbraw/zinc/56/78/30/562567830.db2.gz SITKZGWYRBXRSO-UHFFFAOYSA-N -1 1 358.419 2.410 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncn(Cc3ccccc3)n2)c1 ZINC000535850817 562569745 /nfs/dbraw/zinc/56/97/45/562569745.db2.gz QLQILDNESXVDNP-UHFFFAOYSA-N -1 1 351.366 2.243 20 0 FEADMM CC[C@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1C1CC1 ZINC000536507372 562577204 /nfs/dbraw/zinc/57/72/04/562577204.db2.gz UAQYILHMWASLIG-JTQLQIEISA-N -1 1 366.443 2.485 20 0 FEADMM Cc1nc(C(C)C)sc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540805856 562593557 /nfs/dbraw/zinc/59/35/57/562593557.db2.gz CEOBEBZMUNESTL-UHFFFAOYSA-N -1 1 355.441 2.180 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1ccc(Cl)cc1Br ZINC000541535177 562614696 /nfs/dbraw/zinc/61/46/96/562614696.db2.gz BRMAVRBKLADRRN-UHFFFAOYSA-N -1 1 364.595 2.008 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc4ncccc4c3)no2)o1 ZINC000546341464 562636271 /nfs/dbraw/zinc/63/62/71/562636271.db2.gz QGFHXTJCWWNFSK-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000549716344 562638300 /nfs/dbraw/zinc/63/83/00/562638300.db2.gz KVFLTEUYEFMFKP-AWEZNQCLSA-N -1 1 370.409 2.072 20 0 FEADMM O=C(c1cnc(-c2ccccn2)s1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000549732233 562638812 /nfs/dbraw/zinc/63/88/12/562638812.db2.gz HBMVONQWGLQDBR-SNVBAGLBSA-N -1 1 357.395 2.314 20 0 FEADMM O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550101535 562642428 /nfs/dbraw/zinc/64/24/28/562642428.db2.gz PHKWNUVTERHCHS-UHFFFAOYSA-N -1 1 367.409 2.300 20 0 FEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550099906 562642443 /nfs/dbraw/zinc/64/24/43/562642443.db2.gz CPHYEHIJWNVGNO-UHFFFAOYSA-N -1 1 370.413 2.429 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3csc4ccccc34)ccnc1-2 ZINC000807013569 674399850 /nfs/dbraw/zinc/39/98/50/674399850.db2.gz XLKWINQBAOUFOM-UHFFFAOYSA-N -1 1 351.391 2.134 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)n[n-]1 ZINC000603152268 568065165 /nfs/dbraw/zinc/06/51/65/568065165.db2.gz CIWXUDSCCYGEBD-NRKGENKXSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)[n-]1 ZINC000603152268 568065166 /nfs/dbraw/zinc/06/51/66/568065166.db2.gz CIWXUDSCCYGEBD-NRKGENKXSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000603152268 568065167 /nfs/dbraw/zinc/06/51/67/568065167.db2.gz CIWXUDSCCYGEBD-NRKGENKXSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)n[n-]1 ZINC000603153029 568065249 /nfs/dbraw/zinc/06/52/49/568065249.db2.gz FVSLOOUVYRURJK-DTWKUNHWSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)[n-]1 ZINC000603153029 568065250 /nfs/dbraw/zinc/06/52/50/568065250.db2.gz FVSLOOUVYRURJK-DTWKUNHWSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](C)c2c(F)cccc2F)n1 ZINC000603153029 568065251 /nfs/dbraw/zinc/06/52/51/568065251.db2.gz FVSLOOUVYRURJK-DTWKUNHWSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n[n-]1 ZINC000603156712 568068744 /nfs/dbraw/zinc/06/87/44/568068744.db2.gz SYKRJXVXROTIMB-MKPLZMMCSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)[n-]1 ZINC000603156712 568068745 /nfs/dbraw/zinc/06/87/45/568068745.db2.gz SYKRJXVXROTIMB-MKPLZMMCSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n1 ZINC000603156712 568068746 /nfs/dbraw/zinc/06/87/46/568068746.db2.gz SYKRJXVXROTIMB-MKPLZMMCSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000603718849 568147264 /nfs/dbraw/zinc/14/72/64/568147264.db2.gz VLGKRWWMTGWYLT-YOEHRIQHSA-N -1 1 374.437 2.074 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c(F)c1 ZINC000603945250 568186069 /nfs/dbraw/zinc/18/60/69/568186069.db2.gz AFFAFMLHWWEXRI-UHFFFAOYSA-N -1 1 369.389 2.429 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCCO4)cc2o1 ZINC000643245432 568263761 /nfs/dbraw/zinc/26/37/61/568263761.db2.gz DXHNFHRZXXSONQ-UHFFFAOYSA-N -1 1 362.363 2.496 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NCC4)ccc2O1 ZINC000604972634 568464924 /nfs/dbraw/zinc/46/49/24/568464924.db2.gz NHWXENPTWAPYBY-LLVKDONJSA-N -1 1 358.419 2.097 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000737187241 598840328 /nfs/dbraw/zinc/84/03/28/598840328.db2.gz PBOGMRHHJATXNI-UHFFFAOYSA-N -1 1 367.394 2.423 20 0 FEADMM CCC(C)(C)N(C)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736313293 598891907 /nfs/dbraw/zinc/89/19/07/598891907.db2.gz HQKOUBCKWFANJU-UHFFFAOYSA-N -1 1 370.461 2.106 20 0 FEADMM CCC(C)(C)N(C)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736313293 598891909 /nfs/dbraw/zinc/89/19/09/598891909.db2.gz HQKOUBCKWFANJU-UHFFFAOYSA-N -1 1 370.461 2.106 20 0 FEADMM CN(C)C(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736753455 598955751 /nfs/dbraw/zinc/95/57/51/598955751.db2.gz LBPIMZRGFMGWSI-UHFFFAOYSA-N -1 1 374.408 2.124 20 0 FEADMM CN(C)C(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736753455 598955753 /nfs/dbraw/zinc/95/57/53/598955753.db2.gz LBPIMZRGFMGWSI-UHFFFAOYSA-N -1 1 374.408 2.124 20 0 FEADMM Cc1cccc(C)c1NC(=O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737390585 598958732 /nfs/dbraw/zinc/95/87/32/598958732.db2.gz RKPHXIGPCRIWNF-UHFFFAOYSA-N -1 1 374.408 2.477 20 0 FEADMM Cc1cccc(C)c1NC(=O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737390585 598958733 /nfs/dbraw/zinc/95/87/33/598958733.db2.gz RKPHXIGPCRIWNF-UHFFFAOYSA-N -1 1 374.408 2.477 20 0 FEADMM CN(CCCNc1c2ccccc2nnc1-c1nnn[n-]1)CC(F)(F)F ZINC000736800512 598960202 /nfs/dbraw/zinc/96/02/02/598960202.db2.gz LSTUVPMRJQNRBU-UHFFFAOYSA-N -1 1 366.351 2.106 20 0 FEADMM CN(CCCNc1c2ccccc2nnc1-c1nn[n-]n1)CC(F)(F)F ZINC000736800512 598960203 /nfs/dbraw/zinc/96/02/03/598960203.db2.gz LSTUVPMRJQNRBU-UHFFFAOYSA-N -1 1 366.351 2.106 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000737301933 598969034 /nfs/dbraw/zinc/96/90/34/598969034.db2.gz XGHDMVVMHKPPBA-UHFFFAOYSA-N -1 1 358.427 2.042 20 0 FEADMM OCC[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000738395807 598974641 /nfs/dbraw/zinc/97/46/41/598974641.db2.gz ZLJIEDFMOBHUEP-AWEZNQCLSA-N -1 1 361.409 2.388 20 0 FEADMM OCC[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000738395807 598974643 /nfs/dbraw/zinc/97/46/43/598974643.db2.gz ZLJIEDFMOBHUEP-AWEZNQCLSA-N -1 1 361.409 2.388 20 0 FEADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738000849 598983747 /nfs/dbraw/zinc/98/37/47/598983747.db2.gz HXHJOLUOFZEDIL-KRWDZBQOSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738000849 598983748 /nfs/dbraw/zinc/98/37/48/598983748.db2.gz HXHJOLUOFZEDIL-KRWDZBQOSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738157726 598987375 /nfs/dbraw/zinc/98/73/75/598987375.db2.gz ALWWJNHBHDYINF-UHFFFAOYSA-N -1 1 357.377 2.500 20 0 FEADMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738157726 598987377 /nfs/dbraw/zinc/98/73/77/598987377.db2.gz ALWWJNHBHDYINF-UHFFFAOYSA-N -1 1 357.377 2.500 20 0 FEADMM COc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737110310 598992545 /nfs/dbraw/zinc/99/25/45/598992545.db2.gz ZCDLKCQGBTYTSI-UHFFFAOYSA-N -1 1 362.296 2.124 20 0 FEADMM COc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737110310 598992547 /nfs/dbraw/zinc/99/25/47/598992547.db2.gz ZCDLKCQGBTYTSI-UHFFFAOYSA-N -1 1 362.296 2.124 20 0 FEADMM O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738138732 599002121 /nfs/dbraw/zinc/00/21/21/599002121.db2.gz INZNQXRPRLTNQM-UHFFFAOYSA-N -1 1 353.361 2.253 20 0 FEADMM O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738138732 599002123 /nfs/dbraw/zinc/00/21/23/599002123.db2.gz INZNQXRPRLTNQM-UHFFFAOYSA-N -1 1 353.361 2.253 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Cc2ccccc2F)CC1 ZINC000738257794 599032598 /nfs/dbraw/zinc/03/25/98/599032598.db2.gz DKMAZPNXWZDXNL-UHFFFAOYSA-N -1 1 366.400 2.496 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Cc2ccccc2F)CC1 ZINC000738257794 599032599 /nfs/dbraw/zinc/03/25/99/599032599.db2.gz DKMAZPNXWZDXNL-UHFFFAOYSA-N -1 1 366.400 2.496 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000819940287 599049766 /nfs/dbraw/zinc/04/97/66/599049766.db2.gz VWUDVNWZQVEBRC-NEPJUHHUSA-N -1 1 359.434 2.367 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000819940287 599049771 /nfs/dbraw/zinc/04/97/71/599049771.db2.gz VWUDVNWZQVEBRC-NEPJUHHUSA-N -1 1 359.434 2.367 20 0 FEADMM COC(=O)COc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736930716 599058207 /nfs/dbraw/zinc/05/82/07/599058207.db2.gz JHHSNYXWPDOQGD-UHFFFAOYSA-N -1 1 374.788 2.079 20 0 FEADMM COC(=O)COc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736930716 599058210 /nfs/dbraw/zinc/05/82/10/599058210.db2.gz JHHSNYXWPDOQGD-UHFFFAOYSA-N -1 1 374.788 2.079 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc(-c2cccs2)o1 ZINC000736158427 599132253 /nfs/dbraw/zinc/13/22/53/599132253.db2.gz PRHVBVRXQHGSHQ-MRVPVSSYSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc(-c2cccs2)o1 ZINC000736158427 599132255 /nfs/dbraw/zinc/13/22/55/599132255.db2.gz PRHVBVRXQHGSHQ-MRVPVSSYSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(Cl)cc1 ZINC000736157785 599133937 /nfs/dbraw/zinc/13/39/37/599133937.db2.gz MNSWYOXGCUOVMS-SECBINFHSA-N -1 1 357.757 2.343 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(Cl)cc1 ZINC000736157785 599133938 /nfs/dbraw/zinc/13/39/38/599133938.db2.gz MNSWYOXGCUOVMS-SECBINFHSA-N -1 1 357.757 2.343 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cccc(Cl)c1 ZINC000736159922 599140786 /nfs/dbraw/zinc/14/07/86/599140786.db2.gz YWGKBGCOFXANQS-SECBINFHSA-N -1 1 372.772 2.099 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cccc(Cl)c1 ZINC000736159922 599140788 /nfs/dbraw/zinc/14/07/88/599140788.db2.gz YWGKBGCOFXANQS-SECBINFHSA-N -1 1 372.772 2.099 20 0 FEADMM O=C(Oc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738246162 599151655 /nfs/dbraw/zinc/15/16/55/599151655.db2.gz BTKMLQQLRHCISN-UHFFFAOYSA-N -1 1 374.360 2.455 20 0 FEADMM O=C(Oc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738246162 599151653 /nfs/dbraw/zinc/15/16/53/599151653.db2.gz BTKMLQQLRHCISN-UHFFFAOYSA-N -1 1 374.360 2.455 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCSC2)c1-c1nn[n-]n1 ZINC000821987994 599191042 /nfs/dbraw/zinc/19/10/42/599191042.db2.gz BCLYDWDAONWXBJ-SECBINFHSA-N -1 1 362.484 2.096 20 0 FEADMM C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000818053736 597125953 /nfs/dbraw/zinc/12/59/53/597125953.db2.gz UKHJSOXVAMBPTD-LLVKDONJSA-N -1 1 352.387 2.189 20 0 FEADMM O=C(NCCNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000738074110 599265615 /nfs/dbraw/zinc/26/56/15/599265615.db2.gz GGYKWNUDOCKXDK-UHFFFAOYSA-N -1 1 359.393 2.257 20 0 FEADMM O=C(NCCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000738074110 599265617 /nfs/dbraw/zinc/26/56/17/599265617.db2.gz GGYKWNUDOCKXDK-UHFFFAOYSA-N -1 1 359.393 2.257 20 0 FEADMM COCCC[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708832 674425186 /nfs/dbraw/zinc/42/51/86/674425186.db2.gz SADNJVMSSPZYMH-RNJOBUHISA-N -1 1 352.397 2.353 20 0 FEADMM C[C@H]1C[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1=O ZINC000807802883 674430423 /nfs/dbraw/zinc/43/04/23/674430423.db2.gz SLPWWZXEGRDXMW-JNLQPACOSA-N -1 1 362.392 2.296 20 0 FEADMM COc1ccc(C(C)(C)CNc2nccnc2-c2nnn[n-]2)cc1OC ZINC000737073005 598363030 /nfs/dbraw/zinc/36/30/30/598363030.db2.gz PAYYNCSLSQVURX-UHFFFAOYSA-N -1 1 355.402 2.064 20 0 FEADMM COc1ccc(C(C)(C)CNc2nccnc2-c2nn[n-]n2)cc1OC ZINC000737073005 598363032 /nfs/dbraw/zinc/36/30/32/598363032.db2.gz PAYYNCSLSQVURX-UHFFFAOYSA-N -1 1 355.402 2.064 20 0 FEADMM CCOC(=O)C1=C(NC(=O)COC(F)F)[N-]c2ccccc2N=C1C ZINC000807954474 674435847 /nfs/dbraw/zinc/43/58/47/674435847.db2.gz STQLOTZYNGIHBC-UHFFFAOYSA-N -1 1 353.325 2.335 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(CCOc2cccc(F)c2)c2ccccc12 ZINC000738372466 598504922 /nfs/dbraw/zinc/50/49/22/598504922.db2.gz QPOADPXGJDHYTN-UHFFFAOYSA-N -1 1 351.341 2.400 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000737776424 598529261 /nfs/dbraw/zinc/52/92/61/598529261.db2.gz MWKBBQRLSWHLGC-HTQZYQBOSA-N -1 1 364.196 2.396 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737187742 598589673 /nfs/dbraw/zinc/58/96/73/598589673.db2.gz TUYIYOYIEQLOBI-UHFFFAOYSA-N -1 1 371.426 2.008 20 0 FEADMM CCN(C(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1cccc2ccccc21 ZINC000736504951 598677339 /nfs/dbraw/zinc/67/73/39/598677339.db2.gz FELMSNDIAPYGOM-UHFFFAOYSA-N -1 1 374.404 2.235 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737320481 598692114 /nfs/dbraw/zinc/69/21/14/598692114.db2.gz LGAWZMCIEQQXIR-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM Cc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737397949 598719268 /nfs/dbraw/zinc/71/92/68/598719268.db2.gz CKRNAUWHKYICHM-UHFFFAOYSA-N -1 1 360.377 2.129 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@@H](O)c1ccccc1 ZINC000808340669 674454278 /nfs/dbraw/zinc/45/42/78/674454278.db2.gz QJXPXRKTRRNPHC-TVQRCGJNSA-N -1 1 360.229 2.443 20 0 FEADMM CC(C)(C)OC(=O)NCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735636143 598754897 /nfs/dbraw/zinc/75/48/97/598754897.db2.gz QIEGXQUKEBXIEZ-UHFFFAOYSA-N -1 1 359.843 2.303 20 0 FEADMM CC(C)(C)OC(=O)NCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735636143 598754899 /nfs/dbraw/zinc/75/48/99/598754899.db2.gz QIEGXQUKEBXIEZ-UHFFFAOYSA-N -1 1 359.843 2.303 20 0 FEADMM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737332389 599294168 /nfs/dbraw/zinc/29/41/68/599294168.db2.gz UJMAFCYQUULYJD-CQSZACIVSA-N -1 1 374.426 2.079 20 0 FEADMM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737332389 599294170 /nfs/dbraw/zinc/29/41/70/599294170.db2.gz UJMAFCYQUULYJD-CQSZACIVSA-N -1 1 374.426 2.079 20 0 FEADMM CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736401095 599332224 /nfs/dbraw/zinc/33/22/24/599332224.db2.gz VCTKGFVEJQPZRV-NSHDSACASA-N -1 1 355.851 2.473 20 0 FEADMM C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820826074 599342474 /nfs/dbraw/zinc/34/24/74/599342474.db2.gz IRIDVLUHMBYHCD-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820826074 599342477 /nfs/dbraw/zinc/34/24/77/599342477.db2.gz IRIDVLUHMBYHCD-NSHDSACASA-N -1 1 373.413 2.314 20 0 FEADMM C[C@H]1SCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@H]1C ZINC000820819798 599344684 /nfs/dbraw/zinc/34/46/84/599344684.db2.gz LCIJWGIEDLUDGX-DTWKUNHWSA-N -1 1 373.891 2.035 20 0 FEADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000738413022 599428470 /nfs/dbraw/zinc/42/84/70/599428470.db2.gz PUNYWBXONITDEG-AWEZNQCLSA-N -1 1 350.382 2.374 20 0 FEADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000738413022 599428473 /nfs/dbraw/zinc/42/84/73/599428473.db2.gz PUNYWBXONITDEG-AWEZNQCLSA-N -1 1 350.382 2.374 20 0 FEADMM C[C@@H](c1ccc(F)cc1F)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736198415 599429282 /nfs/dbraw/zinc/42/92/82/599429282.db2.gz HWUFPYCJJIILKT-LBPRGKRZSA-N -1 1 371.395 2.423 20 0 FEADMM CCO[C@@H](C)c1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000736614655 599496068 /nfs/dbraw/zinc/49/60/68/599496068.db2.gz ICALZVQMPGQHAN-VIFPVBQESA-N -1 1 360.399 2.173 20 0 FEADMM CCO[C@@H](C)c1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000736614655 599496070 /nfs/dbraw/zinc/49/60/70/599496070.db2.gz ICALZVQMPGQHAN-VIFPVBQESA-N -1 1 360.399 2.173 20 0 FEADMM OC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)Cc2ccccc2C1 ZINC000823696659 599567274 /nfs/dbraw/zinc/56/72/74/599567274.db2.gz FZUNPMXINFCZIK-UHFFFAOYSA-N -1 1 358.405 2.357 20 0 FEADMM OC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)Cc2ccccc2C1 ZINC000823696659 599567277 /nfs/dbraw/zinc/56/72/77/599567277.db2.gz FZUNPMXINFCZIK-UHFFFAOYSA-N -1 1 358.405 2.357 20 0 FEADMM CC[C@H]1C[C@H](C)CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820967037 599655797 /nfs/dbraw/zinc/65/57/97/599655797.db2.gz KYLFYLPLZLOBEX-GWCFXTLKSA-N -1 1 358.446 2.164 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000736952968 599782569 /nfs/dbraw/zinc/78/25/69/599782569.db2.gz YMUYSUAAAJLSGA-AWEZNQCLSA-N -1 1 358.442 2.320 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)N1CCCC1 ZINC000738121042 599840078 /nfs/dbraw/zinc/84/00/78/599840078.db2.gz PDFRDPFGEPVOLX-DOTOQJQBSA-N -1 1 363.458 2.241 20 0 FEADMM Cc1oc(COC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000738983420 599884563 /nfs/dbraw/zinc/88/45/63/599884563.db2.gz RPIHYYBYMMTQAA-SECBINFHSA-N -1 1 371.349 2.024 20 0 FEADMM O=C([O-])[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)Cc1cccc(F)c1 ZINC000739410093 599946023 /nfs/dbraw/zinc/94/60/23/599946023.db2.gz YKLJATXNXQAKOM-CYBMUJFWSA-N -1 1 368.364 2.341 20 0 FEADMM COc1ccc(-c2noc(CN(C[C@H](C)C(=O)[O-])C3CC3)n2)c(OC)c1 ZINC000569130996 599949533 /nfs/dbraw/zinc/94/95/33/599949533.db2.gz ZQSOOWHOJPRUFT-NSHDSACASA-N -1 1 361.398 2.439 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738872697 599983192 /nfs/dbraw/zinc/98/31/92/599983192.db2.gz LOIRLRZIVIWAIL-UHFFFAOYSA-N -1 1 373.344 2.462 20 0 FEADMM CC1(C)CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736732324 599994382 /nfs/dbraw/zinc/99/43/82/599994382.db2.gz CVXNBIQWKBRXPI-KRWDZBQOSA-N -1 1 357.454 2.402 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000238065307 600033897 /nfs/dbraw/zinc/03/38/97/600033897.db2.gz QEXGQZLZBHFSPO-UHFFFAOYSA-N -1 1 374.481 2.469 20 0 FEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCCc2ccccc2C1 ZINC000739624685 600111828 /nfs/dbraw/zinc/11/18/28/600111828.db2.gz JVOJNDCGUWFOCZ-HXUWFJFHSA-N -1 1 364.445 2.473 20 0 FEADMM O=C([O-])C1(NCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000739309768 600152000 /nfs/dbraw/zinc/15/20/00/600152000.db2.gz RPPZYKARJRJASA-INIZCTEOSA-N -1 1 359.470 2.006 20 0 FEADMM O=C([O-])CCCc1nc(CSc2nc(-c3ccccc3O)n[nH]2)no1 ZINC000739703102 600282644 /nfs/dbraw/zinc/28/26/44/600282644.db2.gz SLKACMRCAHTERZ-UHFFFAOYSA-N -1 1 361.383 2.260 20 0 FEADMM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736207844 600290291 /nfs/dbraw/zinc/29/02/91/600290291.db2.gz JUUOZTRUBFFKGG-FVQBIDKESA-N -1 1 358.438 2.202 20 0 FEADMM CS(=O)(=O)c1ccc(OCCCN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000575065636 600299500 /nfs/dbraw/zinc/29/95/00/600299500.db2.gz UCOAHIDVJPDGHH-MRXNPFEDSA-N -1 1 367.467 2.046 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1CCOC ZINC000736941491 600335346 /nfs/dbraw/zinc/33/53/46/600335346.db2.gz XSDLBTPWCNEETG-NSHDSACASA-N -1 1 371.384 2.238 20 0 FEADMM CN1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000737524848 600376599 /nfs/dbraw/zinc/37/65/99/600376599.db2.gz YFOFESHVKNJJDZ-QWHCGFSZSA-N -1 1 360.332 2.311 20 0 FEADMM Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000738824495 600489372 /nfs/dbraw/zinc/48/93/72/600489372.db2.gz YPRVRSGACHCENY-UHFFFAOYSA-N -1 1 353.400 2.071 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833003908 600660639 /nfs/dbraw/zinc/66/06/39/600660639.db2.gz BKUVRCGFNGHBGP-QGZVFWFLSA-N -1 1 373.340 2.102 20 0 FEADMM COC1(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCCC1 ZINC000809250850 674488996 /nfs/dbraw/zinc/48/89/96/674488996.db2.gz SFPUWBHEBJFHLY-SRVKXCTJSA-N -1 1 350.381 2.250 20 0 FEADMM CS(=O)(=O)c1cccc([C@@H](NCC(=O)[O-])c2cc(F)ccc2F)c1 ZINC000738141423 600681037 /nfs/dbraw/zinc/68/10/37/600681037.db2.gz XYIYGYXRRCWWTF-MRXNPFEDSA-N -1 1 355.362 2.132 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1C(=O)[O-] ZINC000831327708 600689572 /nfs/dbraw/zinc/68/95/72/600689572.db2.gz LIPSJIOQMLBSEW-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM Cc1cc(C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC000822199741 607470158 /nfs/dbraw/zinc/47/01/58/607470158.db2.gz GHLLDDLFRHMDIL-GFCCVEGCSA-N -1 1 361.413 2.194 20 0 FEADMM Cc1cc(C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC000822199741 607470160 /nfs/dbraw/zinc/47/01/60/607470160.db2.gz GHLLDDLFRHMDIL-GFCCVEGCSA-N -1 1 361.413 2.194 20 0 FEADMM Cc1oc(NC(=O)CN2c3ccccc3OC[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000826341831 607470566 /nfs/dbraw/zinc/47/05/66/607470566.db2.gz REWAHNODVVBUKA-SNVBAGLBSA-N -1 1 368.397 2.303 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cccnc2N2CCCC2)cc1C(=O)[O-] ZINC000326918778 600827120 /nfs/dbraw/zinc/82/71/20/600827120.db2.gz QSGXHMFLOATERD-UHFFFAOYSA-N -1 1 361.423 2.489 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C12CCCCC2 ZINC000574577757 600972760 /nfs/dbraw/zinc/97/27/60/600972760.db2.gz FUFBCUXIEZZZOH-IAGOWNOFSA-N -1 1 366.502 2.369 20 0 FEADMM Cc1nnc(SCC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])[nH]1 ZINC000832990593 600981019 /nfs/dbraw/zinc/98/10/19/600981019.db2.gz GBEXNKLVPXLYTC-OLZOCXBDSA-N -1 1 352.460 2.087 20 0 FEADMM Cc1n[nH]c(SCC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000832990593 600981021 /nfs/dbraw/zinc/98/10/21/600981021.db2.gz GBEXNKLVPXLYTC-OLZOCXBDSA-N -1 1 352.460 2.087 20 0 FEADMM CCOc1ccc2nc(NC(=O)CN[C@@](C)(C(=O)[O-])C3CC3)sc2c1 ZINC000830094702 601031359 /nfs/dbraw/zinc/03/13/59/601031359.db2.gz YFBPBDWBLLGGOV-QGZVFWFLSA-N -1 1 363.439 2.476 20 0 FEADMM CSc1ccccc1NC(=O)CN(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826231665 607484727 /nfs/dbraw/zinc/48/47/27/607484727.db2.gz VCHQWQYCZDCABZ-UHFFFAOYSA-N -1 1 369.454 2.054 20 0 FEADMM CCn1nc(C)c(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000737312132 601051364 /nfs/dbraw/zinc/05/13/64/601051364.db2.gz MBAUZBPKGCVBTK-UHFFFAOYSA-N -1 1 367.427 2.174 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)CC1 ZINC000827356168 601090611 /nfs/dbraw/zinc/09/06/11/601090611.db2.gz PZOJUYJAEFJVMX-SZZPACECSA-N -1 1 365.499 2.461 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)CC1 ZINC000827362137 601098107 /nfs/dbraw/zinc/09/81/07/601098107.db2.gz IWFXDHXUPQZUMW-GFCCVEGCSA-N -1 1 372.824 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000827369124 601127268 /nfs/dbraw/zinc/12/72/68/601127268.db2.gz OXPCRUFUJVXKBG-JTQLQIEISA-N -1 1 369.805 2.081 20 0 FEADMM O=C([O-])Cc1sc(NC(=O)CCc2nc[nH]n2)nc1-c1ccccc1 ZINC000833269653 601136495 /nfs/dbraw/zinc/13/64/95/601136495.db2.gz FRPIMHQYTPCXRO-UHFFFAOYSA-N -1 1 357.395 2.127 20 0 FEADMM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000830669750 601171029 /nfs/dbraw/zinc/17/10/29/601171029.db2.gz NLCNOZAZKMFSRC-SFHVURJKSA-N -1 1 373.497 2.491 20 0 FEADMM Cc1oc(S(=O)(=O)N(CC(C)C)C2CCN(C)CC2)cc1C(=O)[O-] ZINC000833027629 601217887 /nfs/dbraw/zinc/21/78/87/601217887.db2.gz ZJZIOSCSHMGRAN-UHFFFAOYSA-N -1 1 358.460 2.027 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)N1CCCC[C@H]1C ZINC000828259233 601218411 /nfs/dbraw/zinc/21/84/11/601218411.db2.gz WGOPEIMNWVOUKV-DLTMEVEPSA-N -1 1 366.483 2.326 20 0 FEADMM CN(CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccc(Cl)nc1 ZINC000830772345 601227308 /nfs/dbraw/zinc/22/73/08/601227308.db2.gz HTJACBNOVOVYDJ-AUWJEWJLSA-N -1 1 355.847 2.058 20 0 FEADMM O=C([O-])c1ccc(OCCNC(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000833142705 601313799 /nfs/dbraw/zinc/31/37/99/601313799.db2.gz QMZTULVOUHFHCA-UHFFFAOYSA-N -1 1 367.365 2.166 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000326777468 601317045 /nfs/dbraw/zinc/31/70/45/601317045.db2.gz SQYMDLSAJYBBBM-FLIBITNWSA-N -1 1 361.375 2.372 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC000832208836 601361740 /nfs/dbraw/zinc/36/17/40/601361740.db2.gz XHSCXLSZIBXVDZ-UHFFFAOYSA-N -1 1 373.390 2.380 20 0 FEADMM O=C([O-])c1nn(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c2ccccc21 ZINC000833345982 601400726 /nfs/dbraw/zinc/40/07/26/601400726.db2.gz CMRPZIPABGVRCM-CQSZACIVSA-N -1 1 356.426 2.026 20 0 FEADMM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000833195502 601479473 /nfs/dbraw/zinc/47/94/73/601479473.db2.gz GLACJNVBGNZECX-LLVKDONJSA-N -1 1 367.477 2.130 20 0 FEADMM O=C(CN1CCC[C@@H]2COCC[C@H]21)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833106471 601662326 /nfs/dbraw/zinc/66/23/26/601662326.db2.gz SYYISMQEQPHJDT-DGCLKSJQSA-N -1 1 364.467 2.374 20 0 FEADMM Cc1ncsc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833010895 601731242 /nfs/dbraw/zinc/73/12/42/601731242.db2.gz ZWPCWWSNOWSTFZ-SFHVURJKSA-N -1 1 359.451 2.301 20 0 FEADMM CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829618768 601780222 /nfs/dbraw/zinc/78/02/22/601780222.db2.gz HEUZYJGOBVVCIG-YQQAZPJKSA-N -1 1 368.499 2.194 20 0 FEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000833344710 601836233 /nfs/dbraw/zinc/83/62/33/601836233.db2.gz GTYSLOJKGXSUOQ-UHFFFAOYSA-N -1 1 364.770 2.177 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000662216990 601841333 /nfs/dbraw/zinc/84/13/33/601841333.db2.gz BVHHPMSQWLTIQA-UHFFFAOYSA-N -1 1 368.861 2.412 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000571469984 601857608 /nfs/dbraw/zinc/85/76/08/601857608.db2.gz XODBIVPGRWORMO-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C([O-])N[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000740687612 601868171 /nfs/dbraw/zinc/86/81/71/601868171.db2.gz UZPXGVAMKYARBK-GOSISDBHSA-N -1 1 368.437 2.171 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761749447 601878183 /nfs/dbraw/zinc/87/81/83/601878183.db2.gz VNYNBAOXXVNHFP-UHFFFAOYSA-N -1 1 370.333 2.287 20 0 FEADMM CN(CCNC(=O)NCc1cccc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000666534230 601886614 /nfs/dbraw/zinc/88/66/14/601886614.db2.gz GTKKMAOVHCLRHO-UHFFFAOYSA-N -1 1 359.401 2.455 20 0 FEADMM Cc1ccn2c(=O)cc(CSCc3ccnc(-c4nnn[n-]4)c3)nc2c1 ZINC000826308922 607533033 /nfs/dbraw/zinc/53/30/33/607533033.db2.gz VQFLYVVJHPCFGC-UHFFFAOYSA-N -1 1 365.422 2.011 20 0 FEADMM Cc1ccn2c(=O)cc(CSCc3ccnc(-c4nn[n-]n4)c3)nc2c1 ZINC000826308922 607533036 /nfs/dbraw/zinc/53/30/36/607533036.db2.gz VQFLYVVJHPCFGC-UHFFFAOYSA-N -1 1 365.422 2.011 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000826009076 601919300 /nfs/dbraw/zinc/91/93/00/601919300.db2.gz QSHWVLGUIWWYMB-SMDDNHRTSA-N -1 1 356.875 2.237 20 0 FEADMM CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000829722007 601920126 /nfs/dbraw/zinc/92/01/26/601920126.db2.gz FAMKVISLOIUPRI-GOEBONIOSA-N -1 1 350.484 2.316 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738598470 601941177 /nfs/dbraw/zinc/94/11/77/601941177.db2.gz AJMIKGYMXKLKEL-NWDGAFQWSA-N -1 1 371.840 2.416 20 0 FEADMM COc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c1 ZINC000826209378 607536031 /nfs/dbraw/zinc/53/60/31/607536031.db2.gz ZBAJFLAAODPFRF-UHFFFAOYSA-N -1 1 363.374 2.124 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)c1cccs1 ZINC000739605842 602054191 /nfs/dbraw/zinc/05/41/91/602054191.db2.gz CZELYINLZGJGAU-OLZOCXBDSA-N -1 1 354.476 2.135 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)NCc3cccc(C(=O)[O-])c3)c2)CC1 ZINC000678931896 602058491 /nfs/dbraw/zinc/05/84/91/602058491.db2.gz GHXWOLVDAKCQDU-UHFFFAOYSA-N -1 1 367.449 2.062 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1ccsc1 ZINC000739604797 602086857 /nfs/dbraw/zinc/08/68/57/602086857.db2.gz AGNYSDAYUOQSGT-JSGCOSHPSA-N -1 1 354.476 2.040 20 0 FEADMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)onc2N)cc1OCC ZINC000558430837 674495134 /nfs/dbraw/zinc/49/51/34/674495134.db2.gz UKYXNQPTGIPNNU-JTQLQIEISA-N -1 1 369.443 2.402 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccccc2)sc1C ZINC000558445399 674496356 /nfs/dbraw/zinc/49/63/56/674496356.db2.gz XQYAZSLUTRHSDY-ZBFHGGJFSA-N -1 1 352.481 2.204 20 0 FEADMM COc1cc(C(C)=O)c(OC)cc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826177634 607551670 /nfs/dbraw/zinc/55/16/70/607551670.db2.gz PGYGXYORCFICFO-UHFFFAOYSA-N -1 1 355.354 2.061 20 0 FEADMM COc1cc(C(C)=O)c(OC)cc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826177634 607551671 /nfs/dbraw/zinc/55/16/71/607551671.db2.gz PGYGXYORCFICFO-UHFFFAOYSA-N -1 1 355.354 2.061 20 0 FEADMM O=C([O-])c1ccccc1CS(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000833333714 602224256 /nfs/dbraw/zinc/22/42/56/602224256.db2.gz VEMHMUIVGJTWMU-UHFFFAOYSA-N -1 1 366.483 2.165 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000830839999 602228043 /nfs/dbraw/zinc/22/80/43/602228043.db2.gz HFDNZSNUCIUTBM-CQSZACIVSA-N -1 1 358.385 2.335 20 0 FEADMM Cc1n[nH]c([C@@H]2CCCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000832997241 602234606 /nfs/dbraw/zinc/23/46/06/602234606.db2.gz UTOULZUKASKSNY-SWLSCSKDSA-N -1 1 371.441 2.326 20 0 FEADMM Cc1nnc([C@@H]2CCCN([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)[nH]1 ZINC000832997241 602234609 /nfs/dbraw/zinc/23/46/09/602234609.db2.gz UTOULZUKASKSNY-SWLSCSKDSA-N -1 1 371.441 2.326 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000739440936 602385278 /nfs/dbraw/zinc/38/52/78/602385278.db2.gz IPJOOAKQHPMSFR-UHFFFAOYSA-N -1 1 365.449 2.496 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1F)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739014882 602450890 /nfs/dbraw/zinc/45/08/90/602450890.db2.gz HHBLAJVLNQVIKB-QWHCGFSZSA-N -1 1 351.422 2.199 20 0 FEADMM C[C@H](C(=O)N1CCc2sccc2C1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739016652 602450983 /nfs/dbraw/zinc/45/09/83/602450983.db2.gz QRDVFLACBHODGW-QWHCGFSZSA-N -1 1 365.499 2.389 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccccc1F)[C@H]1CCN(C(=O)[O-])C1 ZINC000739348157 602544972 /nfs/dbraw/zinc/54/49/72/602544972.db2.gz GYBRNAKBYUEQQB-HNNXBMFYSA-N -1 1 351.422 2.248 20 0 FEADMM CCCN(CC(=O)N(CC(F)(F)F)C(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739351442 602547449 /nfs/dbraw/zinc/54/74/49/602547449.db2.gz QEJYJOXCVDCMEY-GFCCVEGCSA-N -1 1 353.385 2.250 20 0 FEADMM CN(C(=O)[O-])C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000737933895 602548623 /nfs/dbraw/zinc/54/86/23/602548623.db2.gz OZKKXFKKEUQVHY-UHFFFAOYSA-N -1 1 357.204 2.369 20 0 FEADMM CC(C)C[C@H](CNC(=O)[O-])NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000738810345 602567452 /nfs/dbraw/zinc/56/74/52/602567452.db2.gz JECWGVSEZZEKHZ-SECBINFHSA-N -1 1 354.350 2.065 20 0 FEADMM CC(C)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824191075 607574919 /nfs/dbraw/zinc/57/49/19/607574919.db2.gz CMWOWBNIQIVESR-MRVPVSSYSA-N -1 1 363.365 2.208 20 0 FEADMM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824938136 607575146 /nfs/dbraw/zinc/57/51/46/607575146.db2.gz TWRLMVRHQYYHST-GXSJLCMTSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824938136 607575147 /nfs/dbraw/zinc/57/51/47/607575147.db2.gz TWRLMVRHQYYHST-GXSJLCMTSA-N -1 1 355.851 2.377 20 0 FEADMM Cc1[nH]ncc1CCCNC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000740031908 602611411 /nfs/dbraw/zinc/61/14/11/602611411.db2.gz RBKGMVGQVIKGTO-HNNXBMFYSA-N -1 1 351.451 2.166 20 0 FEADMM O=C([O-])N1CCC[C@@H]1CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000740406920 602611517 /nfs/dbraw/zinc/61/15/17/602611517.db2.gz XGJRMRZBPUNSMP-HUUCEWRRSA-N -1 1 364.446 2.248 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccco1 ZINC000739407784 602625205 /nfs/dbraw/zinc/62/52/05/602625205.db2.gz LPSKFIYRJPNQDK-GJZGRUSLSA-N -1 1 366.462 2.304 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000739002301 602689755 /nfs/dbraw/zinc/68/97/55/602689755.db2.gz HHYJKWIQVCDHSI-GXTWGEPZSA-N -1 1 368.503 2.429 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1cccs1 ZINC000739609283 602706056 /nfs/dbraw/zinc/70/60/56/602706056.db2.gz URRUTRZHVSTWCL-JTQLQIEISA-N -1 1 354.457 2.005 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)C2CC2)cc1 ZINC000740122655 602787104 /nfs/dbraw/zinc/78/71/04/602787104.db2.gz RYLOWGCDDZPVTQ-MAUKXSAKSA-N -1 1 359.470 2.464 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(CCO)(CCO)CC1 ZINC000634112691 677071363 /nfs/dbraw/zinc/07/13/63/677071363.db2.gz YZINFCPYCKOTAU-UHFFFAOYSA-N -1 1 372.259 2.142 20 0 FEADMM O=C([O-])N1CC[C@@H](CN2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000740503577 602978263 /nfs/dbraw/zinc/97/82/63/602978263.db2.gz OGELAUAWUHPSTF-HNNXBMFYSA-N -1 1 367.877 2.336 20 0 FEADMM O=C([O-])NCc1nc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000740682806 602978561 /nfs/dbraw/zinc/97/85/61/602978561.db2.gz NOCFXHWVTHOSLN-CYBMUJFWSA-N -1 1 361.423 2.342 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1cccs1 ZINC000828200711 603011137 /nfs/dbraw/zinc/01/11/37/603011137.db2.gz YOLWXLBFOMLDOC-QWHCGFSZSA-N -1 1 354.476 2.135 20 0 FEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825147644 607600548 /nfs/dbraw/zinc/60/05/48/607600548.db2.gz KXEJJGULFWUBQF-ZDUSSCGKSA-N -1 1 361.402 2.435 20 0 FEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825147644 607600550 /nfs/dbraw/zinc/60/05/50/607600550.db2.gz KXEJJGULFWUBQF-ZDUSSCGKSA-N -1 1 361.402 2.435 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000558775300 674515405 /nfs/dbraw/zinc/51/54/05/674515405.db2.gz QRPDXMAQIRVZIC-VXGBXAGGSA-N -1 1 359.444 2.328 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000740611593 603048592 /nfs/dbraw/zinc/04/85/92/603048592.db2.gz MJIKBMVCHSHKKX-LLVKDONJSA-N -1 1 367.203 2.101 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CC[C@H]3CCCO3)cc2)n1 ZINC000740681231 603056553 /nfs/dbraw/zinc/05/65/53/603056553.db2.gz AIOYFIFQHGMUNN-CYBMUJFWSA-N -1 1 359.386 2.137 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CC[C@H]3CCCO3)cc2)n[nH]1 ZINC000740681231 603056557 /nfs/dbraw/zinc/05/65/57/603056557.db2.gz AIOYFIFQHGMUNN-CYBMUJFWSA-N -1 1 359.386 2.137 20 0 FEADMM C[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000824392120 607606478 /nfs/dbraw/zinc/60/64/78/607606478.db2.gz MEVCRMYQSFBYMQ-LBPRGKRZSA-N -1 1 351.366 2.214 20 0 FEADMM C[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000824392120 607606480 /nfs/dbraw/zinc/60/64/80/607606480.db2.gz MEVCRMYQSFBYMQ-LBPRGKRZSA-N -1 1 351.366 2.214 20 0 FEADMM CC(C)(NC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000736328192 603131550 /nfs/dbraw/zinc/13/15/50/603131550.db2.gz NDQFGDYGQBUYFM-ZDUSSCGKSA-N -1 1 373.375 2.442 20 0 FEADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826294295 607610274 /nfs/dbraw/zinc/61/02/74/607610274.db2.gz NSRYZQDTWBGUDP-AWEZNQCLSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826294295 607610276 /nfs/dbraw/zinc/61/02/76/607610276.db2.gz NSRYZQDTWBGUDP-AWEZNQCLSA-N -1 1 373.413 2.280 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1 ZINC000739909795 603236385 /nfs/dbraw/zinc/23/63/85/603236385.db2.gz QTXSIXRSBYPFGD-WMLDXEAASA-N -1 1 363.458 2.164 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CCCNC(=O)[O-] ZINC000738599711 603249336 /nfs/dbraw/zinc/24/93/36/603249336.db2.gz FKVZCIUNOOJSSS-LBPRGKRZSA-N -1 1 364.471 2.233 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)CCCNC(=O)[O-] ZINC000738633578 603251870 /nfs/dbraw/zinc/25/18/70/603251870.db2.gz ZZAYJINASYIVCK-JTQLQIEISA-N -1 1 358.236 2.366 20 0 FEADMM C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824927458 607617861 /nfs/dbraw/zinc/61/78/61/607617861.db2.gz ORGVMHOBFUDBOC-UWVGGRQHSA-N -1 1 353.423 2.109 20 0 FEADMM 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FEADMM O=C([O-])Nc1cnc(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000834277734 606020283 /nfs/dbraw/zinc/02/02/83/606020283.db2.gz GUQNTCDXTVKCOV-AWEZNQCLSA-N -1 1 356.382 2.388 20 0 FEADMM O=C([O-])Nc1cnc(C(=O)N(CCN2CCCC2)c2ccccc2)cn1 ZINC000834276126 606025728 /nfs/dbraw/zinc/02/57/28/606025728.db2.gz YJJCCBZDFZXNFK-UHFFFAOYSA-N -1 1 355.398 2.309 20 0 FEADMM O=C([O-])NCC1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCCC1 ZINC000834206153 606094536 /nfs/dbraw/zinc/09/45/36/606094536.db2.gz GZEGHAHTGUBELA-CYBMUJFWSA-N -1 1 361.446 2.216 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821446427 606104917 /nfs/dbraw/zinc/10/49/17/606104917.db2.gz AKNKISVXXJPZQH-OPBZGHIISA-N -1 1 360.896 2.468 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821446427 606104919 /nfs/dbraw/zinc/10/49/19/606104919.db2.gz AKNKISVXXJPZQH-OPBZGHIISA-N -1 1 360.896 2.468 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCCC1(C)C ZINC000822004872 606120274 /nfs/dbraw/zinc/12/02/74/606120274.db2.gz LZTWBCNSXGXBLI-CYBMUJFWSA-N -1 1 358.446 2.212 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@H](C)c1ccccc1 ZINC000820513248 606132013 /nfs/dbraw/zinc/13/20/13/606132013.db2.gz YGRITRDLEXRWDB-GHMZBOCLSA-N -1 1 371.422 2.351 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@H](C)c1ccccc1 ZINC000820513248 606132015 /nfs/dbraw/zinc/13/20/15/606132015.db2.gz YGRITRDLEXRWDB-GHMZBOCLSA-N -1 1 371.422 2.351 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821831607 606134414 /nfs/dbraw/zinc/13/44/14/606134414.db2.gz FXLVSJCQENBORO-SECBINFHSA-N -1 1 373.394 2.121 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821831607 606134415 /nfs/dbraw/zinc/13/44/15/606134415.db2.gz FXLVSJCQENBORO-SECBINFHSA-N -1 1 373.394 2.121 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822424680 606150918 /nfs/dbraw/zinc/15/09/18/606150918.db2.gz ZIXKDTKRGRNAGW-UHFFFAOYSA-N -1 1 367.413 2.066 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2c(Cl)cccc2Cl)n1 ZINC000822620591 606163347 /nfs/dbraw/zinc/16/33/47/606163347.db2.gz XXMOLSQIYMWTFI-UHFFFAOYSA-N -1 1 367.200 2.229 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2c(Cl)cccc2Cl)n1 ZINC000822620591 606163348 /nfs/dbraw/zinc/16/33/48/606163348.db2.gz XXMOLSQIYMWTFI-UHFFFAOYSA-N -1 1 367.200 2.229 20 0 FEADMM Cc1ccccc1C(C)(C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822345162 606171342 /nfs/dbraw/zinc/17/13/42/606171342.db2.gz GQYUHFGAWALYBB-UHFFFAOYSA-N -1 1 354.418 2.008 20 0 FEADMM Cc1ccccc1C(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822345162 606171343 /nfs/dbraw/zinc/17/13/43/606171343.db2.gz GQYUHFGAWALYBB-UHFFFAOYSA-N -1 1 354.418 2.008 20 0 FEADMM c1ccc2c(c1)cccc2COC1CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000823791806 606227179 /nfs/dbraw/zinc/22/71/79/606227179.db2.gz INTKBWLDRRISLM-UHFFFAOYSA-N -1 1 359.393 2.215 20 0 FEADMM c1ccc2c(c1)cccc2COC1CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000823791806 606227182 /nfs/dbraw/zinc/22/71/82/606227182.db2.gz INTKBWLDRRISLM-UHFFFAOYSA-N -1 1 359.393 2.215 20 0 FEADMM COc1ncccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810162004 674535264 /nfs/dbraw/zinc/53/52/64/674535264.db2.gz VCDDEMMSGTXXDW-SNVBAGLBSA-N -1 1 360.336 2.013 20 0 FEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821640265 606468551 /nfs/dbraw/zinc/46/85/51/606468551.db2.gz DZQCTMVDKYKFBN-NSHDSACASA-N -1 1 358.789 2.284 20 0 FEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821640265 606468552 /nfs/dbraw/zinc/46/85/52/606468552.db2.gz DZQCTMVDKYKFBN-NSHDSACASA-N -1 1 358.789 2.284 20 0 FEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821795132 606492238 /nfs/dbraw/zinc/49/22/38/606492238.db2.gz URGLJGHXFXMSTL-UHFFFAOYSA-N -1 1 359.411 2.218 20 0 FEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821795132 606492239 /nfs/dbraw/zinc/49/22/39/606492239.db2.gz URGLJGHXFXMSTL-UHFFFAOYSA-N -1 1 359.411 2.218 20 0 FEADMM Cc1cccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000822308682 606498953 /nfs/dbraw/zinc/49/89/53/606498953.db2.gz IPHNGBLQHOHKCO-UHFFFAOYSA-N -1 1 354.439 2.199 20 0 FEADMM Cc1cccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000822308682 606498954 /nfs/dbraw/zinc/49/89/54/606498954.db2.gz IPHNGBLQHOHKCO-UHFFFAOYSA-N -1 1 354.439 2.199 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822226580 606511608 /nfs/dbraw/zinc/51/16/08/606511608.db2.gz ZCCAHCHTNMHUMF-UHFFFAOYSA-N -1 1 357.395 2.158 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822226580 606511609 /nfs/dbraw/zinc/51/16/09/606511609.db2.gz ZCCAHCHTNMHUMF-UHFFFAOYSA-N -1 1 357.395 2.158 20 0 FEADMM Cc1ccccc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822356196 606520451 /nfs/dbraw/zinc/52/04/51/606520451.db2.gz MVKVRCGIHKAZLR-UHFFFAOYSA-N -1 1 368.466 2.195 20 0 FEADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821326165 606536270 /nfs/dbraw/zinc/53/62/70/606536270.db2.gz UJGONHHHRJORKT-LBPRGKRZSA-N -1 1 371.422 2.353 20 0 FEADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821326165 606536272 /nfs/dbraw/zinc/53/62/72/606536272.db2.gz UJGONHHHRJORKT-LBPRGKRZSA-N -1 1 371.422 2.353 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000823484317 606550108 /nfs/dbraw/zinc/55/01/08/606550108.db2.gz VSQHXDLXLWXKSZ-UHFFFAOYSA-N -1 1 365.422 2.494 20 0 FEADMM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1cn(-c2ccccc2)nn1 ZINC000819991523 606732880 /nfs/dbraw/zinc/73/28/80/606732880.db2.gz ICLWYSZXHKGANE-UHFFFAOYSA-N -1 1 350.386 2.065 20 0 FEADMM CC(C)(NCc1ccc(-c2nn[n-]n2)o1)c1cn(-c2ccccc2)nn1 ZINC000819991523 606732882 /nfs/dbraw/zinc/73/28/82/606732882.db2.gz ICLWYSZXHKGANE-UHFFFAOYSA-N -1 1 350.386 2.065 20 0 FEADMM CC(C)[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820046204 606742728 /nfs/dbraw/zinc/74/27/28/606742728.db2.gz PSALHPMQNYKYFA-SNVBAGLBSA-N -1 1 355.851 2.187 20 0 FEADMM CC(C)[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820046204 606742729 /nfs/dbraw/zinc/74/27/29/606742729.db2.gz PSALHPMQNYKYFA-SNVBAGLBSA-N -1 1 355.851 2.187 20 0 FEADMM CC[C@@H](C)C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820859457 606750944 /nfs/dbraw/zinc/75/09/44/606750944.db2.gz DVPIHVXKWLNQCL-SNVBAGLBSA-N -1 1 357.370 2.331 20 0 FEADMM CC[C@@H](C)C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820859457 606750946 /nfs/dbraw/zinc/75/09/46/606750946.db2.gz DVPIHVXKWLNQCL-SNVBAGLBSA-N -1 1 357.370 2.331 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000820768330 606762832 /nfs/dbraw/zinc/76/28/32/606762832.db2.gz MRYYFWVCNHJGJC-JTQLQIEISA-N -1 1 359.386 2.318 20 0 FEADMM CC(C)(C)c1cnc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)o1 ZINC000819966136 606786016 /nfs/dbraw/zinc/78/60/16/606786016.db2.gz XMVIXGNHNWRQNA-UHFFFAOYSA-N -1 1 372.414 2.193 20 0 FEADMM Nc1n[nH]c(CCCNc2nc(-c3ccccc3)cs2)c1-c1nn[n-]n1 ZINC000822899929 606796424 /nfs/dbraw/zinc/79/64/24/606796424.db2.gz YUDRLEMMWAJOLL-UHFFFAOYSA-N -1 1 367.442 2.340 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735632282 606876381 /nfs/dbraw/zinc/87/63/81/606876381.db2.gz AJQZHZZDSLRJDB-SECBINFHSA-N -1 1 365.825 2.019 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735632282 606876382 /nfs/dbraw/zinc/87/63/82/606876382.db2.gz AJQZHZZDSLRJDB-SECBINFHSA-N -1 1 365.825 2.019 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@]1(C)CCCO1 ZINC000822540507 606899570 /nfs/dbraw/zinc/89/95/70/606899570.db2.gz CJTBBUSZTSSTKY-QGZVFWFLSA-N -1 1 357.370 2.285 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@]1(C)CCCO1 ZINC000822540507 606899572 /nfs/dbraw/zinc/89/95/72/606899572.db2.gz CJTBBUSZTSSTKY-QGZVFWFLSA-N -1 1 357.370 2.285 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820386485 606948451 /nfs/dbraw/zinc/94/84/51/606948451.db2.gz ZJOYXCLXRJIGOQ-OLZOCXBDSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820386485 606948453 /nfs/dbraw/zinc/94/84/53/606948453.db2.gz ZJOYXCLXRJIGOQ-OLZOCXBDSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@H](C[C@@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820231026 607045330 /nfs/dbraw/zinc/04/53/30/607045330.db2.gz AALPMKZJXMRDID-ZWNOBZJWSA-N -1 1 351.370 2.327 20 0 FEADMM C[C@H](C[C@@H](O)c1ccco1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820231026 607045332 /nfs/dbraw/zinc/04/53/32/607045332.db2.gz AALPMKZJXMRDID-ZWNOBZJWSA-N -1 1 351.370 2.327 20 0 FEADMM COc1ccc(OCCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821842055 607105754 /nfs/dbraw/zinc/10/57/54/607105754.db2.gz NFNPIMDYHSRXIX-UHFFFAOYSA-N -1 1 360.399 2.130 20 0 FEADMM COc1ccc(OCCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821842055 607105756 /nfs/dbraw/zinc/10/57/56/607105756.db2.gz NFNPIMDYHSRXIX-UHFFFAOYSA-N -1 1 360.399 2.130 20 0 FEADMM Clc1ccc(N[C@H]2CCO[C@@]3(CCSC3)C2)nc1-c1nnn[n-]1 ZINC000822578620 607176636 /nfs/dbraw/zinc/17/66/36/607176636.db2.gz MDFRSFDTBJTKQG-XPTSAGLGSA-N -1 1 352.851 2.382 20 0 FEADMM Clc1ccc(N[C@H]2CCO[C@@]3(CCSC3)C2)nc1-c1nn[n-]n1 ZINC000822578620 607176637 /nfs/dbraw/zinc/17/66/37/607176637.db2.gz MDFRSFDTBJTKQG-XPTSAGLGSA-N -1 1 352.851 2.382 20 0 FEADMM O=C(NCCCO)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823191815 607192768 /nfs/dbraw/zinc/19/27/68/607192768.db2.gz PWPIQXMCYXLNHW-UHFFFAOYSA-N -1 1 373.800 2.425 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823525862 607222481 /nfs/dbraw/zinc/22/24/81/607222481.db2.gz UWZDTSKYPJKBOT-ZBFHGGJFSA-N -1 1 368.441 2.406 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000823525862 607222482 /nfs/dbraw/zinc/22/24/82/607222482.db2.gz UWZDTSKYPJKBOT-ZBFHGGJFSA-N -1 1 368.441 2.406 20 0 FEADMM Cc1cnc(CCN(C)c2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000826318263 607850473 /nfs/dbraw/zinc/85/04/73/607850473.db2.gz AOOKQMYCJSPBKX-UHFFFAOYSA-N -1 1 352.427 2.254 20 0 FEADMM Cc1cnc(CCN(C)c2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000826318263 607850474 /nfs/dbraw/zinc/85/04/74/607850474.db2.gz AOOKQMYCJSPBKX-UHFFFAOYSA-N -1 1 352.427 2.254 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCc2sccc2C1 ZINC000826418870 607864139 /nfs/dbraw/zinc/86/41/39/607864139.db2.gz ZORBCYFNEPEQMA-UHFFFAOYSA-N -1 1 359.386 2.031 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCc2sccc2C1 ZINC000826418870 607864140 /nfs/dbraw/zinc/86/41/40/607864140.db2.gz ZORBCYFNEPEQMA-UHFFFAOYSA-N -1 1 359.386 2.031 20 0 FEADMM Fc1cccc(Oc2cc(C(F)(F)F)nc3ncnn32)c1-c1nnn[n-]1 ZINC000826377985 607867181 /nfs/dbraw/zinc/86/71/81/607867181.db2.gz PTOFTBXOAVACAE-UHFFFAOYSA-N -1 1 366.238 2.255 20 0 FEADMM Fc1cccc(Oc2cc(C(F)(F)F)nc3ncnn32)c1-c1nn[n-]n1 ZINC000826377985 607867182 /nfs/dbraw/zinc/86/71/82/607867182.db2.gz PTOFTBXOAVACAE-UHFFFAOYSA-N -1 1 366.238 2.255 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000826493652 607867998 /nfs/dbraw/zinc/86/79/98/607867998.db2.gz WEOYGZJHKCYDIL-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826493652 607867999 /nfs/dbraw/zinc/86/79/99/607867999.db2.gz WEOYGZJHKCYDIL-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CCOc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825643786 607874423 /nfs/dbraw/zinc/87/44/23/607874423.db2.gz UYFHECCLRZBXON-LBPRGKRZSA-N -1 1 374.372 2.223 20 0 FEADMM CCOc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825643786 607874424 /nfs/dbraw/zinc/87/44/24/607874424.db2.gz UYFHECCLRZBXON-LBPRGKRZSA-N -1 1 374.372 2.223 20 0 FEADMM C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949099 607902961 /nfs/dbraw/zinc/90/29/61/607902961.db2.gz WUJZAIRZFQUSJD-GXTWGEPZSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949099 607902962 /nfs/dbraw/zinc/90/29/62/607902962.db2.gz WUJZAIRZFQUSJD-GXTWGEPZSA-N -1 1 373.461 2.391 20 0 FEADMM COc1ccc(C[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826191613 607977394 /nfs/dbraw/zinc/97/73/94/607977394.db2.gz LHDGSJHNMUDRPQ-GFCCVEGCSA-N -1 1 353.382 2.192 20 0 FEADMM COc1ccc(C[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826191613 607977395 /nfs/dbraw/zinc/97/73/95/607977395.db2.gz LHDGSJHNMUDRPQ-GFCCVEGCSA-N -1 1 353.382 2.192 20 0 FEADMM COc1cccc(SCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000826217238 607997307 /nfs/dbraw/zinc/99/73/07/607997307.db2.gz DFBGFAZXPVICDB-UHFFFAOYSA-N -1 1 357.395 2.312 20 0 FEADMM Cc1nnc(-c2ccccc2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])o1 ZINC000826335466 607998786 /nfs/dbraw/zinc/99/87/86/607998786.db2.gz OEPAKRHBZSQSPH-UHFFFAOYSA-N -1 1 363.337 2.183 20 0 FEADMM COc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826191178 607999251 /nfs/dbraw/zinc/99/92/51/607999251.db2.gz ZJCKJZJYKVTKNP-LLVKDONJSA-N -1 1 353.382 2.398 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(Cc1ccco1)C1=CCCCC1 ZINC000826425279 608014492 /nfs/dbraw/zinc/01/44/92/608014492.db2.gz WTIGFAXZGVRDSX-UHFFFAOYSA-N -1 1 353.386 2.143 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(Cc1ccco1)C1=CCCCC1 ZINC000826425279 608014493 /nfs/dbraw/zinc/01/44/93/608014493.db2.gz WTIGFAXZGVRDSX-UHFFFAOYSA-N -1 1 353.386 2.143 20 0 FEADMM Cc1oc(NC(=O)CN(CC(F)(F)F)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826341689 608038133 /nfs/dbraw/zinc/03/81/33/608038133.db2.gz NRFICMIHYNHYFN-UHFFFAOYSA-N -1 1 358.324 2.042 20 0 FEADMM CCc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000825717995 608055358 /nfs/dbraw/zinc/05/53/58/608055358.db2.gz SQPBADUBKUDUOB-UHFFFAOYSA-N -1 1 360.395 2.205 20 0 FEADMM O=C(NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826434407 608116660 /nfs/dbraw/zinc/11/66/60/608116660.db2.gz MAIJOQKVLZTQTL-UHFFFAOYSA-N -1 1 354.801 2.377 20 0 FEADMM O=C(NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826434407 608116661 /nfs/dbraw/zinc/11/66/61/608116661.db2.gz MAIJOQKVLZTQTL-UHFFFAOYSA-N -1 1 354.801 2.377 20 0 FEADMM FC(F)(F)Cn1ccnc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826367481 608183033 /nfs/dbraw/zinc/18/30/33/608183033.db2.gz AOZRIIYXWKFBQQ-UHFFFAOYSA-N -1 1 364.744 2.348 20 0 FEADMM FC(F)(F)Cn1ccnc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826367481 608183034 /nfs/dbraw/zinc/18/30/34/608183034.db2.gz AOZRIIYXWKFBQQ-UHFFFAOYSA-N -1 1 364.744 2.348 20 0 FEADMM CON(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCOc2ccccc21 ZINC000826166677 608186990 /nfs/dbraw/zinc/18/69/90/608186990.db2.gz WFJABXPTABWCSQ-HNNXBMFYSA-N -1 1 366.381 2.179 20 0 FEADMM CON(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCOc2ccccc21 ZINC000826166677 608186992 /nfs/dbraw/zinc/18/69/92/608186992.db2.gz WFJABXPTABWCSQ-HNNXBMFYSA-N -1 1 366.381 2.179 20 0 FEADMM Cc1noc([C@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)n1 ZINC000826339832 608371600 /nfs/dbraw/zinc/37/16/00/608371600.db2.gz WEZWIMRLYUHPHZ-LBPRGKRZSA-N -1 1 362.397 2.490 20 0 FEADMM Cc1noc([C@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)n1 ZINC000826339832 608371602 /nfs/dbraw/zinc/37/16/02/608371602.db2.gz WEZWIMRLYUHPHZ-LBPRGKRZSA-N -1 1 362.397 2.490 20 0 FEADMM Cc1c([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cnn1-c1ccc(F)cc1 ZINC000826236006 608395660 /nfs/dbraw/zinc/39/56/60/608395660.db2.gz WMUDJJNJTJSANV-JTQLQIEISA-N -1 1 365.376 2.463 20 0 FEADMM Cc1c([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cnn1-c1ccc(F)cc1 ZINC000826236006 608395661 /nfs/dbraw/zinc/39/56/61/608395661.db2.gz WMUDJJNJTJSANV-JTQLQIEISA-N -1 1 365.376 2.463 20 0 FEADMM CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccc(C)cc1 ZINC000825797298 608434627 /nfs/dbraw/zinc/43/46/27/608434627.db2.gz ZBMOEHYVPTZHFJ-UHFFFAOYSA-N -1 1 365.426 2.395 20 0 FEADMM CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccc(C)cc1 ZINC000825797298 608434629 /nfs/dbraw/zinc/43/46/29/608434629.db2.gz ZBMOEHYVPTZHFJ-UHFFFAOYSA-N -1 1 365.426 2.395 20 0 FEADMM OC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Br)cc1 ZINC000826508499 608445952 /nfs/dbraw/zinc/44/59/52/608445952.db2.gz QWMLIHMFNBLCNM-GFCCVEGCSA-N -1 1 361.203 2.170 20 0 FEADMM OC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC000826508499 608445953 /nfs/dbraw/zinc/44/59/53/608445953.db2.gz QWMLIHMFNBLCNM-GFCCVEGCSA-N -1 1 361.203 2.170 20 0 FEADMM CC(C)CCCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824245367 608557357 /nfs/dbraw/zinc/55/73/57/608557357.db2.gz YCIGTBYATXUSNF-UHFFFAOYSA-N -1 1 362.482 2.170 20 0 FEADMM CC(C)CCCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824245367 608557359 /nfs/dbraw/zinc/55/73/59/608557359.db2.gz YCIGTBYATXUSNF-UHFFFAOYSA-N -1 1 362.482 2.170 20 0 FEADMM CCCC[C@@H](CC)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825260684 608559915 /nfs/dbraw/zinc/55/99/15/608559915.db2.gz QNNUYWSUNXZFQG-GFCCVEGCSA-N -1 1 362.482 2.170 20 0 FEADMM CCCC[C@@H](CC)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825260684 608559917 /nfs/dbraw/zinc/55/99/17/608559917.db2.gz QNNUYWSUNXZFQG-GFCCVEGCSA-N -1 1 362.482 2.170 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824900272 608565010 /nfs/dbraw/zinc/56/50/10/608565010.db2.gz UFKWEFDLEZSTTC-WZRBSPASSA-N -1 1 365.434 2.348 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824900272 608565012 /nfs/dbraw/zinc/56/50/12/608565012.db2.gz UFKWEFDLEZSTTC-WZRBSPASSA-N -1 1 365.434 2.348 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CCC2 ZINC000826514590 609150622 /nfs/dbraw/zinc/15/06/22/609150622.db2.gz WIIXEILYALMWNG-CYBMUJFWSA-N -1 1 351.418 2.458 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CCC2 ZINC000826514590 609150623 /nfs/dbraw/zinc/15/06/23/609150623.db2.gz WIIXEILYALMWNG-CYBMUJFWSA-N -1 1 351.418 2.458 20 0 FEADMM Cc1[nH]ccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826233372 609311636 /nfs/dbraw/zinc/31/16/36/609311636.db2.gz FAYUPJJXIUWVTA-UHFFFAOYSA-N -1 1 352.333 2.080 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000826340656 609401601 /nfs/dbraw/zinc/40/16/01/609401601.db2.gz GQMKHMBYTUZZSI-PWSUYJOCSA-N -1 1 358.377 2.379 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000826340656 609401603 /nfs/dbraw/zinc/40/16/03/609401603.db2.gz GQMKHMBYTUZZSI-PWSUYJOCSA-N -1 1 358.377 2.379 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000826340654 609401675 /nfs/dbraw/zinc/40/16/75/609401675.db2.gz GQMKHMBYTUZZSI-CMPLNLGQSA-N -1 1 358.377 2.379 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000826340654 609401677 /nfs/dbraw/zinc/40/16/77/609401677.db2.gz GQMKHMBYTUZZSI-CMPLNLGQSA-N -1 1 358.377 2.379 20 0 FEADMM COc1cccc(CC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826216386 609588604 /nfs/dbraw/zinc/58/86/04/609588604.db2.gz WRQKSCXLZAJRML-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM COc1cccc(CC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826216386 609588605 /nfs/dbraw/zinc/58/86/05/609588605.db2.gz WRQKSCXLZAJRML-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@H]2CCCC2(F)F)C1)C(F)(F)F ZINC000811918434 674639308 /nfs/dbraw/zinc/63/93/08/674639308.db2.gz SIDIFEGSEQQEEX-UWVGGRQHSA-N -1 1 357.323 2.274 20 0 FEADMM CC(C)CCOCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811869589 674634437 /nfs/dbraw/zinc/63/44/37/674634437.db2.gz SBBIYLOANKMIJY-CYBMUJFWSA-N -1 1 367.412 2.149 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2coc(C3CCC3)n2)C1)C(F)(F)F ZINC000812277263 674661279 /nfs/dbraw/zinc/66/12/79/674661279.db2.gz SKBWUIVPYZIMBS-JTQLQIEISA-N -1 1 359.348 2.473 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn([C@@H]2CCOC2)c1C)c1ccccc1 ZINC000562714871 674793365 /nfs/dbraw/zinc/79/33/65/674793365.db2.gz XCUNFLPULHMIOK-WBVHZDCISA-N -1 1 365.455 2.282 20 0 FEADMM CC(NCCCc1ccccc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814357697 674833622 /nfs/dbraw/zinc/83/36/22/674833622.db2.gz CIJNFBRRJZITDG-JQIJEIRASA-N -1 1 359.495 2.382 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])CCN1CC(C)(C)O ZINC000563388403 674881369 /nfs/dbraw/zinc/88/13/69/674881369.db2.gz JXDHJJZRQYKMQG-LLVKDONJSA-N -1 1 360.376 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)co1 ZINC000563613112 674917128 /nfs/dbraw/zinc/91/71/28/674917128.db2.gz BHLIJGIWYSKVKG-SECBINFHSA-N -1 1 360.844 2.320 20 0 FEADMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)c([O-])c1 ZINC000563685238 674926418 /nfs/dbraw/zinc/92/64/18/674926418.db2.gz SECJULNWJQLRGP-JQWIXIFHSA-N -1 1 353.216 2.038 20 0 FEADMM CCNS(=O)(=O)[C@@H]1CCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000563817027 674942217 /nfs/dbraw/zinc/94/22/17/674942217.db2.gz VQMUPQYTWGIICZ-LLVKDONJSA-N -1 1 368.480 2.113 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@]12CCCO2 ZINC000564412104 675012798 /nfs/dbraw/zinc/01/27/98/675012798.db2.gz WIKMNGIAIQIQHZ-BFYDXBDKSA-N -1 1 351.424 2.438 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1N1CN=NC1=O ZINC000564559034 675036607 /nfs/dbraw/zinc/03/66/07/675036607.db2.gz SGXKYDFBDWWALO-UHFFFAOYSA-N -1 1 366.349 2.360 20 0 FEADMM O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000816525442 675062378 /nfs/dbraw/zinc/06/23/78/675062378.db2.gz UEKWBMLYNLMSGM-UHFFFAOYSA-N -1 1 365.773 2.220 20 0 FEADMM CN1C(=O)COc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000011908300 669999763 /nfs/dbraw/zinc/99/97/63/669999763.db2.gz SEHBDPJZORNCFF-UHFFFAOYSA-N -1 1 352.799 2.496 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000015756833 670013409 /nfs/dbraw/zinc/01/34/09/670013409.db2.gz DYYHJBIZLIFSCJ-UHFFFAOYSA-N -1 1 370.333 2.169 20 0 FEADMM COCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000028650839 670091879 /nfs/dbraw/zinc/09/18/79/670091879.db2.gz YBJDKEHKSQHZFU-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)o1 ZINC000033146203 670134445 /nfs/dbraw/zinc/13/44/45/670134445.db2.gz WXIVVRJZGHQWKL-UHFFFAOYSA-N -1 1 367.379 2.304 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2c(C)cccc2C)o1 ZINC000042263895 670160460 /nfs/dbraw/zinc/16/04/60/670160460.db2.gz HEVVLZBYTCDYMI-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM COc1ccc(NC(=O)COc2ccccc2C)cc1[N-]S(C)(=O)=O ZINC000044036334 670183292 /nfs/dbraw/zinc/18/32/92/670183292.db2.gz AUCRSXJIQCNXFY-UHFFFAOYSA-N -1 1 364.423 2.393 20 0 FEADMM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000044414313 670190113 /nfs/dbraw/zinc/19/01/13/670190113.db2.gz KAYPZRSXWZTDKR-ZETCQYMHSA-N -1 1 357.657 2.201 20 0 FEADMM COC(=O)c1cc(COC(=O)c2sccc2[N-]S(C)(=O)=O)c(C)o1 ZINC000049997695 670280479 /nfs/dbraw/zinc/28/04/79/670280479.db2.gz VOLQOOIUEUYJNN-UHFFFAOYSA-N -1 1 373.408 2.165 20 0 FEADMM CCCOc1cccc(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)c1 ZINC000051666825 670302083 /nfs/dbraw/zinc/30/20/83/670302083.db2.gz YWFUVLKTQUXACN-UHFFFAOYSA-N -1 1 362.407 2.155 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1nc(C)no1 ZINC000052172241 670309887 /nfs/dbraw/zinc/30/98/87/670309887.db2.gz ODPGJDYYGLMROB-SNVBAGLBSA-N -1 1 353.400 2.448 20 0 FEADMM Cc1ccc2oc(C(=O)OCC(=O)N[N-]C(=O)c3cccs3)cc2c1 ZINC000052401445 670313519 /nfs/dbraw/zinc/31/35/19/670313519.db2.gz FKOLMWYEPDZGGD-UHFFFAOYSA-N -1 1 358.375 2.421 20 0 FEADMM CC(N[C@H](C)c1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000054504326 670337898 /nfs/dbraw/zinc/33/78/98/670337898.db2.gz MIHCNSNKAJXXGW-SSDOTTSWSA-N -1 1 357.357 2.161 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)cc1 ZINC000055597843 670352736 /nfs/dbraw/zinc/35/27/36/670352736.db2.gz UJEJUXNMDGFFSX-UHFFFAOYSA-N -1 1 359.407 2.220 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)cc2)cc1 ZINC000055632080 670353228 /nfs/dbraw/zinc/35/32/28/670353228.db2.gz GFIPHVVGGSLXMY-UHFFFAOYSA-N -1 1 363.395 2.025 20 0 FEADMM Cc1cc(N)nc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)n1 ZINC000057660951 670370367 /nfs/dbraw/zinc/37/03/67/670370367.db2.gz JLQFMTDYUFGZHP-UHFFFAOYSA-N -1 1 368.365 2.017 20 0 FEADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[n-]c(=S)n1C ZINC000066625418 670444804 /nfs/dbraw/zinc/44/48/04/670444804.db2.gz PITSHRDILIIWPU-SNVBAGLBSA-N -1 1 357.480 2.033 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067072739 670452279 /nfs/dbraw/zinc/45/22/79/670452279.db2.gz LCUKPEOLDXRVSG-SNVBAGLBSA-N -1 1 350.492 2.334 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)n[n-]c1=S ZINC000067074051 670452331 /nfs/dbraw/zinc/45/23/31/670452331.db2.gz LWZGIPQNEIQVLX-GFCCVEGCSA-N -1 1 367.519 2.217 20 0 FEADMM CC(=O)NC1(C(=O)NCCc2n[n-]c(=S)n2C(C)C)CCCCC1 ZINC000067074719 670452902 /nfs/dbraw/zinc/45/29/02/670452902.db2.gz FZXKAHNRFFYLHR-UHFFFAOYSA-N -1 1 353.492 2.019 20 0 FEADMM Cc1nc(C(=O)NCc2n[n-]c(=S)n2C(C)C)nn1-c1ccccc1 ZINC000068448964 670471195 /nfs/dbraw/zinc/47/11/95/670471195.db2.gz LUEMZFMVPIDCAZ-UHFFFAOYSA-N -1 1 357.443 2.341 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)s1 ZINC000084367315 670667976 /nfs/dbraw/zinc/66/79/76/670667976.db2.gz OZWDCEINXGAZBU-LLVKDONJSA-N -1 1 358.250 2.225 20 0 FEADMM CC(C)(C)c1cc(CCC(=O)[N-]OCC(N)=O)cc(C(C)(C)C)c1O ZINC000089463771 670701791 /nfs/dbraw/zinc/70/17/91/670701791.db2.gz PSDDNPHKCCWCTJ-UHFFFAOYSA-N -1 1 350.459 2.453 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CO1 ZINC000817489830 675138228 /nfs/dbraw/zinc/13/82/28/675138228.db2.gz GZBVRTKNVBMQOH-RTXFEEFZSA-N -1 1 356.344 2.048 20 0 FEADMM CCO[C@H](CC)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491718 675138439 /nfs/dbraw/zinc/13/84/39/675138439.db2.gz DANXHAUQGSAZLG-TZMCWYRMSA-N -1 1 358.360 2.438 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(C)c1 ZINC000102862565 670777716 /nfs/dbraw/zinc/77/77/16/670777716.db2.gz FIJYUNKDGUABGH-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CCC[C@@H](OC)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490432 675138592 /nfs/dbraw/zinc/13/85/92/675138592.db2.gz PWOIVOZYSDVSSX-TZMCWYRMSA-N -1 1 358.360 2.438 20 0 FEADMM COCCCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493001 675138799 /nfs/dbraw/zinc/13/87/99/675138799.db2.gz PYLPNOPHDXAEMC-ZDUSSCGKSA-N -1 1 358.360 2.440 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1csc(=O)[nH]1)C(F)(F)F ZINC000817675582 675160256 /nfs/dbraw/zinc/16/02/56/675160256.db2.gz RPEPWALGXYITCA-VIFPVBQESA-N -1 1 371.340 2.099 20 0 FEADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1nc3ccccc3s1)C2 ZINC000572598110 671021961 /nfs/dbraw/zinc/02/19/61/671021961.db2.gz ZVUMSHRBBFPQID-LBPRGKRZSA-N -1 1 360.464 2.231 20 0 FEADMM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000573283433 671103044 /nfs/dbraw/zinc/10/30/44/671103044.db2.gz NFTYRPQOQPKJBF-UHFFFAOYSA-N -1 1 372.834 2.448 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)sc1C ZINC000566136962 675185284 /nfs/dbraw/zinc/18/52/84/675185284.db2.gz NVKZOJDUTGAHQX-UHFFFAOYSA-N -1 1 352.428 2.433 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)NC1(CO)CC1 ZINC000575100888 671298229 /nfs/dbraw/zinc/29/82/29/671298229.db2.gz TVVLEBGTDCYVRJ-UHFFFAOYSA-N -1 1 361.423 2.134 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(Cl)c(Br)cc1F ZINC000575514972 671314531 /nfs/dbraw/zinc/31/45/31/671314531.db2.gz XOWNTLMWMXHLSB-UHFFFAOYSA-N -1 1 360.574 2.174 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1cnn(CC2CC2)c1 ZINC000818048085 675193271 /nfs/dbraw/zinc/19/32/71/675193271.db2.gz HOYQWHKGWMECBQ-UHFFFAOYSA-N -1 1 362.390 2.018 20 0 FEADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000576417155 671367245 /nfs/dbraw/zinc/36/72/45/671367245.db2.gz QLNIUAPYFMNBHK-JTQLQIEISA-N -1 1 362.411 2.041 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)CC1CC1 ZINC000576831428 671398278 /nfs/dbraw/zinc/39/82/78/671398278.db2.gz HUWPOHZPWKZQDE-NSHDSACASA-N -1 1 356.216 2.474 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1C ZINC000577331575 671587995 /nfs/dbraw/zinc/58/79/95/671587995.db2.gz DUEZXHSEMRXDPT-UHFFFAOYSA-N -1 1 361.379 2.384 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)o1 ZINC000609353087 675919963 /nfs/dbraw/zinc/91/99/63/675919963.db2.gz KAFOGVANHUZYIO-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM CCc1nc(SCC(=O)NC(=O)NC2CCCCC2)[n-]c(=O)c1C ZINC000579142403 671715214 /nfs/dbraw/zinc/71/52/14/671715214.db2.gz CNJYATOBBVHULT-UHFFFAOYSA-N -1 1 352.460 2.304 20 0 FEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000579236771 671721751 /nfs/dbraw/zinc/72/17/51/671721751.db2.gz JMSQCCOXACDSMF-UWVGGRQHSA-N -1 1 361.391 2.232 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000579599729 671747531 /nfs/dbraw/zinc/74/75/31/671747531.db2.gz XNCWEEHCDKXSKD-NSHDSACASA-N -1 1 360.501 2.153 20 0 FEADMM COCCN(C)S(=O)(=O)[N-]c1cc(C)n(-c2ccccc2Cl)n1 ZINC000579719268 671755887 /nfs/dbraw/zinc/75/58/87/671755887.db2.gz SARIAZRULZDGOW-UHFFFAOYSA-N -1 1 358.851 2.069 20 0 FEADMM COc1cc(NC(=O)c2conc2C2CC2)ccc1[N-]S(C)(=O)=O ZINC000579896051 671768248 /nfs/dbraw/zinc/76/82/48/671768248.db2.gz ABMMXHUGVFFPBQ-UHFFFAOYSA-N -1 1 351.384 2.184 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)s[n-]1 ZINC000580260466 671793067 /nfs/dbraw/zinc/79/30/67/671793067.db2.gz WACHTYJVSGZSOF-MFKMUULPSA-N -1 1 367.450 2.231 20 0 FEADMM CS(=O)(=O)c1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)o1 ZINC000580317713 671797321 /nfs/dbraw/zinc/79/73/21/671797321.db2.gz AUWCAEBVKPKYRP-UHFFFAOYSA-N -1 1 370.452 2.353 20 0 FEADMM COc1ccc2c(c1)CCCN2C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000580754343 671829560 /nfs/dbraw/zinc/82/95/60/671829560.db2.gz LYVRHYJHHOEYBQ-UHFFFAOYSA-N -1 1 361.419 2.154 20 0 FEADMM CSc1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC000580973125 671851778 /nfs/dbraw/zinc/85/17/78/671851778.db2.gz QZJZNHSSZYCKJW-UHFFFAOYSA-N -1 1 350.469 2.901 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(C)(C)C ZINC000610087952 675952798 /nfs/dbraw/zinc/95/27/98/675952798.db2.gz PAQMVYHSWAIBMQ-MRVPVSSYSA-N -1 1 370.290 2.377 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)s1 ZINC000120937387 671938896 /nfs/dbraw/zinc/93/88/96/671938896.db2.gz FNEFBTDDGDJRHE-LLVKDONJSA-N -1 1 364.427 2.158 20 0 FEADMM Cn1ncc(C(=O)Nc2nc(Br)ccc2[O-])c1-n1cccc1 ZINC000121507217 671951284 /nfs/dbraw/zinc/95/12/84/671951284.db2.gz XEWBHOFPWYCWCM-UHFFFAOYSA-N -1 1 362.187 2.326 20 0 FEADMM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000123177554 671976453 /nfs/dbraw/zinc/97/64/53/671976453.db2.gz JYTLLNZNEMPLBC-UHFFFAOYSA-N -1 1 366.361 2.002 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C12CCCC2 ZINC000610269563 675963824 /nfs/dbraw/zinc/96/38/24/675963824.db2.gz IXXCMFNVPQMDPE-CHWSQXEVSA-N -1 1 357.428 2.082 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@@H]1CN(C)CCO1 ZINC000125744618 672016134 /nfs/dbraw/zinc/01/61/34/672016134.db2.gz JNPBIQRMTVMHFN-SFYZADRCSA-N -1 1 359.300 2.052 20 0 FEADMM O=C(NCCc1ncc[nH]1)c1c([O-])cnc2c(Br)cccc21 ZINC000582756099 672030816 /nfs/dbraw/zinc/03/08/16/672030816.db2.gz SDBSACIDADFYKR-UHFFFAOYSA-N -1 1 361.199 2.399 20 0 FEADMM COc1ccccc1-n1cnnc1SCCC[N-]C(=O)C(F)(F)F ZINC000132572644 672099222 /nfs/dbraw/zinc/09/92/22/672099222.db2.gz XKAKQCJDIUCUFU-UHFFFAOYSA-N -1 1 360.361 2.437 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NC(=O)NCc1cccs1 ZINC000583963649 672142826 /nfs/dbraw/zinc/14/28/26/672142826.db2.gz VOZDCMBILGBCOD-UHFFFAOYSA-N -1 1 374.394 2.299 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cccc(-n2cncn2)c1 ZINC000156373559 672245481 /nfs/dbraw/zinc/24/54/81/672245481.db2.gz WDRVQXDNKFVZSK-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM COc1cc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1O ZINC000158391005 672269042 /nfs/dbraw/zinc/26/90/42/672269042.db2.gz ILWYGDHCOPHMCV-UHFFFAOYSA-N -1 1 361.341 2.339 20 0 FEADMM COc1cc[n-]c(=NNC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1 ZINC000159295358 672279911 /nfs/dbraw/zinc/27/99/11/672279911.db2.gz JYYPETLXBLHJOQ-UHFFFAOYSA-N -1 1 359.777 2.473 20 0 FEADMM CCc1nc(C)c([C@H](C)OC(=O)c2coc(S(=O)(=O)[N-]C)c2)s1 ZINC000166645096 672319743 /nfs/dbraw/zinc/31/97/43/672319743.db2.gz MCEGYPKUHCXZNG-VIFPVBQESA-N -1 1 358.441 2.433 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OC(C)(C)C ZINC000178220207 672390168 /nfs/dbraw/zinc/39/01/68/672390168.db2.gz RQMXEFJBZSZMEA-SSDOTTSWSA-N -1 1 355.243 2.397 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(C(F)(F)F)cs2)co1 ZINC000179337692 672401196 /nfs/dbraw/zinc/40/11/96/672401196.db2.gz UCIIMJTXTZUHJG-UHFFFAOYSA-N -1 1 370.330 2.020 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)c1F ZINC000180019129 672407862 /nfs/dbraw/zinc/40/78/62/672407862.db2.gz JBMQYKVDTDCIMI-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000182370112 672443492 /nfs/dbraw/zinc/44/34/92/672443492.db2.gz KDLCHHYYRFPMCL-CQSZACIVSA-N -1 1 366.414 2.127 20 0 FEADMM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc(OCC(F)(F)F)nc1 ZINC000679203197 672475897 /nfs/dbraw/zinc/47/58/97/672475897.db2.gz VWJFMTKNAOGASK-UHFFFAOYSA-N -1 1 372.328 2.471 20 0 FEADMM Cc1cc(NC(=O)C(=O)Nc2cc(C)cc(Br)c2[O-])no1 ZINC000679243000 672479782 /nfs/dbraw/zinc/47/97/82/672479782.db2.gz DQKGGPCMMKKCRH-UHFFFAOYSA-N -1 1 354.160 2.337 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000589431532 672525101 /nfs/dbraw/zinc/52/51/01/672525101.db2.gz YJNXMMSIVNDCNV-UHFFFAOYSA-N -1 1 355.419 2.452 20 0 FEADMM COCCn1ncc2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc21 ZINC000589436152 672525884 /nfs/dbraw/zinc/52/58/84/672525884.db2.gz YIFDYXKOTWGTLW-UHFFFAOYSA-N -1 1 361.423 2.492 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1ccc(C(F)(F)F)nc1 ZINC000679843259 672531448 /nfs/dbraw/zinc/53/14/48/672531448.db2.gz FBOCYRCHVCGOJG-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000680349143 672567458 /nfs/dbraw/zinc/56/74/58/672567458.db2.gz IBXZFMRSEXNOLT-UHFFFAOYSA-N -1 1 353.400 2.264 20 0 FEADMM Cc1ccc(NC(=O)C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000188338264 672588621 /nfs/dbraw/zinc/58/86/21/672588621.db2.gz ZMIPXGANJCBKDI-UHFFFAOYSA-N -1 1 350.172 2.435 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000680654022 672596781 /nfs/dbraw/zinc/59/67/81/672596781.db2.gz GYVSQLZIKSFXSV-OAHLLOKOSA-N -1 1 366.483 2.271 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000680654022 672596785 /nfs/dbraw/zinc/59/67/85/672596785.db2.gz GYVSQLZIKSFXSV-OAHLLOKOSA-N -1 1 366.483 2.271 20 0 FEADMM C[C@](O)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000188859339 672600212 /nfs/dbraw/zinc/60/02/12/672600212.db2.gz STXBABFTBVVYRX-AWEZNQCLSA-N -1 1 356.425 2.232 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)c(F)c1 ZINC000590762318 672613878 /nfs/dbraw/zinc/61/38/78/672613878.db2.gz ICTVEQTYFJRZNI-ZDUSSCGKSA-N -1 1 365.398 2.228 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc([O-])c(F)c1 ZINC000681015687 672621010 /nfs/dbraw/zinc/62/10/10/672621010.db2.gz KYAYLHQCROHZFK-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000189977553 672628427 /nfs/dbraw/zinc/62/84/27/672628427.db2.gz OJLYZDFRLFXIDB-DTWKUNHWSA-N -1 1 357.204 2.468 20 0 FEADMM Cc1nc(-c2cccs2)c(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)s1 ZINC000681352844 672652275 /nfs/dbraw/zinc/65/22/75/672652275.db2.gz IJJZAGZHBNPPLI-SECBINFHSA-N -1 1 362.484 2.498 20 0 FEADMM O=C(Cc1cccnc1)N[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000192111366 672682325 /nfs/dbraw/zinc/68/23/25/672682325.db2.gz KREPBOFFRUASSZ-UHFFFAOYSA-N -1 1 370.153 2.126 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c(F)c1 ZINC000591678713 672701229 /nfs/dbraw/zinc/70/12/29/672701229.db2.gz MEQSTBYVKBGOCI-UHFFFAOYSA-N -1 1 367.354 2.404 20 0 FEADMM COc1cc(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)cc(Cl)c1[O-] ZINC000682380628 672751409 /nfs/dbraw/zinc/75/14/09/672751409.db2.gz OIPMPYDQSVZTTQ-HNNXBMFYSA-N -1 1 360.797 2.279 20 0 FEADMM COc1cc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cc(Cl)c1[O-] ZINC000682388649 672751888 /nfs/dbraw/zinc/75/18/88/672751888.db2.gz UYPAAKQOQLGZBJ-AWEZNQCLSA-N -1 1 368.861 2.237 20 0 FEADMM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000230139100 672798667 /nfs/dbraw/zinc/79/86/67/672798667.db2.gz YPVOVYJGUFUPOK-WRWORJQWSA-N -1 1 369.668 2.343 20 0 FEADMM CC(C)C[C@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230902225 672799587 /nfs/dbraw/zinc/79/95/87/672799587.db2.gz UBRUTLUHMAOVBF-JTQLQIEISA-N -1 1 363.195 2.134 20 0 FEADMM CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000593547269 672939638 /nfs/dbraw/zinc/93/96/38/672939638.db2.gz SXYPSPJZJZDESK-LBPRGKRZSA-N -1 1 351.451 2.054 20 0 FEADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000285664625 672980997 /nfs/dbraw/zinc/98/09/97/672980997.db2.gz DNTMXOVJAAYYSF-LBPRGKRZSA-N -1 1 354.378 2.496 20 0 FEADMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000313030224 673029698 /nfs/dbraw/zinc/02/96/98/673029698.db2.gz QQDKGOMXKHVCEI-VIFPVBQESA-N -1 1 369.668 2.201 20 0 FEADMM N#Cc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cn1 ZINC000318130279 673035552 /nfs/dbraw/zinc/03/55/52/673035552.db2.gz AKGPLICVOHGSTJ-UHFFFAOYSA-N -1 1 351.800 2.412 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c1F ZINC000594467459 673078407 /nfs/dbraw/zinc/07/84/07/673078407.db2.gz KQLVHGZKZKNGOG-QMMMGPOBSA-N -1 1 367.851 2.297 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@]2(C)CCCOC2)c1F ZINC000594470911 673079238 /nfs/dbraw/zinc/07/92/38/673079238.db2.gz WEKIAHZVRKBWAA-CQSZACIVSA-N -1 1 365.810 2.113 20 0 FEADMM COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000594730898 673125804 /nfs/dbraw/zinc/12/58/04/673125804.db2.gz XCMKJWXXKIFKHO-UHFFFAOYSA-N -1 1 371.846 2.153 20 0 FEADMM O=C1COc2cc([N-]S(=O)(=O)c3cccc4ncccc43)ccc2N1 ZINC000726521071 673127603 /nfs/dbraw/zinc/12/76/03/673127603.db2.gz VEVJHENRDBKNJK-UHFFFAOYSA-N -1 1 355.375 2.367 20 0 FEADMM CCOc1cc(-c2noc([C@@H]3CCN(C)S3(=O)=O)n2)cc(Cl)c1[O-] ZINC000351367363 673136475 /nfs/dbraw/zinc/13/64/75/673136475.db2.gz UMSKIJXLHLNCLF-NSHDSACASA-N -1 1 373.818 2.201 20 0 FEADMM CCCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000728290554 673197507 /nfs/dbraw/zinc/19/75/07/673197507.db2.gz CHKNMASJUCTCHB-NSHDSACASA-N -1 1 366.480 2.444 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)cc1C ZINC000595316812 673222638 /nfs/dbraw/zinc/22/26/38/673222638.db2.gz KHRLRQIOCGDSTK-ZDUSSCGKSA-N -1 1 367.423 2.429 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)cc1C ZINC000595325175 673224828 /nfs/dbraw/zinc/22/48/28/673224828.db2.gz HOBMZOJNENZCKQ-GFCCVEGCSA-N -1 1 357.428 2.002 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1C ZINC000595328792 673225715 /nfs/dbraw/zinc/22/57/15/673225715.db2.gz LPNAXRUQCTYDJX-VXGBXAGGSA-N -1 1 359.444 2.245 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)cc1C ZINC000595342717 673227941 /nfs/dbraw/zinc/22/79/41/673227941.db2.gz PYSBTFQMYICTBC-GXTWGEPZSA-N -1 1 357.428 2.001 20 0 FEADMM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000462670583 673273402 /nfs/dbraw/zinc/27/34/02/673273402.db2.gz SSCBRIALRIPOQH-UHFFFAOYSA-N -1 1 370.452 2.115 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Br)o1 ZINC000462681750 673274383 /nfs/dbraw/zinc/27/43/83/673274383.db2.gz BZPHTSNUCYNKKQ-VHSXEESVSA-N -1 1 350.234 2.278 20 0 FEADMM O=C(CS(=O)(=O)c1ccc([O-])cc1)NCCCOC1CCCCC1 ZINC000462961697 673291003 /nfs/dbraw/zinc/29/10/03/673291003.db2.gz BCDIBUUMWZJAGK-UHFFFAOYSA-N -1 1 355.456 2.022 20 0 FEADMM CN1C(=S)N=NC1C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000731810179 673343849 /nfs/dbraw/zinc/34/38/49/673343849.db2.gz BELABKSETICTEM-UHFFFAOYSA-N -1 1 352.847 2.483 20 0 FEADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732835378 673385953 /nfs/dbraw/zinc/38/59/53/673385953.db2.gz ZENIDHBPAYGILY-SNVBAGLBSA-N -1 1 350.724 2.281 20 0 FEADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000537413623 673388377 /nfs/dbraw/zinc/38/83/77/673388377.db2.gz RBJXOMZGXAQRTM-OAHLLOKOSA-N -1 1 359.451 2.208 20 0 FEADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)nc1 ZINC000537876269 673412568 /nfs/dbraw/zinc/41/25/68/673412568.db2.gz FFXQEKHOZOGNOZ-UHFFFAOYSA-N -1 1 367.377 2.429 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000538951551 673468142 /nfs/dbraw/zinc/46/81/42/673468142.db2.gz 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673585834 /nfs/dbraw/zinc/58/58/34/673585834.db2.gz BICXRYURGZEAFE-UHFFFAOYSA-N -1 1 366.130 2.403 20 0 FEADMM Cc1ccc(CSCCNC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000738283217 673615158 /nfs/dbraw/zinc/61/51/58/673615158.db2.gz WHXJKIYCPWMATE-INIZCTEOSA-N -1 1 350.484 2.141 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H](SC)c3ccccc3)nc2n1 ZINC000598893233 673619393 /nfs/dbraw/zinc/61/93/93/673619393.db2.gz OOQPWPMNOCALFX-AWEZNQCLSA-N -1 1 357.439 2.413 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)CC(C)(C)OC)c1F ZINC000599244266 673647578 /nfs/dbraw/zinc/64/75/78/673647578.db2.gz YSXSAOOSGZEWCD-SECBINFHSA-N -1 1 365.398 2.233 20 0 FEADMM CCCCOCCCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000599409169 673671433 /nfs/dbraw/zinc/67/14/33/673671433.db2.gz TZWUNQVKIBFTIK-UHFFFAOYSA-N -1 1 373.475 2.395 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c(C)c1F ZINC000543960588 673680088 /nfs/dbraw/zinc/68/00/88/673680088.db2.gz JEJVKXYEYSYRPL-UHFFFAOYSA-N -1 1 363.374 2.124 20 0 FEADMM CS[C@@H]1CC[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000742747452 673736860 /nfs/dbraw/zinc/73/68/60/673736860.db2.gz NLNCODRPCVCAQU-ZIAGYGMSSA-N -1 1 358.467 2.495 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743048904 673748065 /nfs/dbraw/zinc/74/80/65/673748065.db2.gz IPJCULYEIOOJAP-SECBINFHSA-N -1 1 367.818 2.163 20 0 FEADMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000600434285 673767895 /nfs/dbraw/zinc/76/78/95/673767895.db2.gz VXDJYFLRSHQTMZ-GXFFZTMASA-N -1 1 371.817 2.142 20 0 FEADMM O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1nn[n-]n1 ZINC000600505849 673774854 /nfs/dbraw/zinc/77/48/54/673774854.db2.gz SZFXFQGUNYLZRL-UHFFFAOYSA-N -1 1 368.344 2.201 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)c1 ZINC000545918221 673783124 /nfs/dbraw/zinc/78/31/24/673783124.db2.gz MLBASNXIGQAKNQ-UHFFFAOYSA-N -1 1 365.407 2.092 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(CC(=O)OC)c(F)c1)C1CC1 ZINC000600653355 673786254 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CC(C)n1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2C(=O)[O-])cn1 ZINC000547555831 673862827 /nfs/dbraw/zinc/86/28/27/673862827.db2.gz MDNDQRVOHVFRSC-UHFFFAOYSA-N -1 1 352.416 2.029 20 0 FEADMM COc1cc(C)c(NS(=O)(=O)c2cc(Cl)cnc2N)c(C(=O)[O-])c1 ZINC000547588483 673869513 /nfs/dbraw/zinc/86/95/13/673869513.db2.gz GICLSUXJSJWSKT-UHFFFAOYSA-N -1 1 371.802 2.133 20 0 FEADMM CCO[C@@H]1C[C@@](NC(=O)Cc2ccc([O-])c(Cl)c2)(C(=O)OC)C1(C)C ZINC000601513012 673874588 /nfs/dbraw/zinc/87/45/88/673874588.db2.gz DZWFJVNNZDUEPM-RDTXWAMCSA-N -1 1 369.845 2.451 20 0 FEADMM CN(C)c1ccc(NS(=O)(=O)c2c[nH]c3ncccc32)c(C(=O)[O-])c1 ZINC000547873127 673895703 /nfs/dbraw/zinc/89/57/03/673895703.db2.gz SNNJUCYSRYWXMU-UHFFFAOYSA-N -1 1 360.395 2.128 20 0 FEADMM O=C(NCc1noc(C(F)(F)F)n1)c1cc(Br)ccc1[O-] ZINC000548056130 673918577 /nfs/dbraw/zinc/91/85/77/673918577.db2.gz XCJCDHTZQHNZSI-UHFFFAOYSA-N -1 1 366.093 2.487 20 0 FEADMM O=C(Cc1ccc(F)cc1Br)NC1(c2nn[n-]n2)CCCC1 ZINC000548604242 673979438 /nfs/dbraw/zinc/97/94/38/673979438.db2.gz 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Cn1cc(-c2ncc(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)s2)cn1 ZINC000636351184 677118264 /nfs/dbraw/zinc/11/82/64/677118264.db2.gz CEUBJDZZRXIQDX-SECBINFHSA-N -1 1 362.440 2.499 20 0 FEADMM Cn1cc(-c2nc(C(=O)[N-]c3nnc([C@@H]4CCCO4)s3)cs2)cn1 ZINC000636355169 677118404 /nfs/dbraw/zinc/11/84/04/677118404.db2.gz XXWOXLOLWGZVHM-JTQLQIEISA-N -1 1 362.440 2.499 20 0 FEADMM Cn1[nH]c(=NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1C1CC1 ZINC000640296812 677177720 /nfs/dbraw/zinc/17/77/20/677177720.db2.gz DZILVOAKDDFIHN-UHFFFAOYSA-N -1 1 362.743 2.198 20 0 FEADMM CSc1nc(CNC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc(=O)[n-]1 ZINC000640654858 677185239 /nfs/dbraw/zinc/18/52/39/677185239.db2.gz BWUKFROZQGJMOZ-UWVGGRQHSA-N -1 1 365.377 2.268 20 0 FEADMM CSc1nc(CNC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc(=O)[n-]1 ZINC000640658871 677185523 /nfs/dbraw/zinc/18/55/23/677185523.db2.gz RUBOORONRPVZLP-QMMMGPOBSA-N -1 1 355.366 2.266 20 0 FEADMM COc1cc(CCC(=O)NCc2cc(=O)[n-]c(SC)n2)cc(OC)c1 ZINC000640658992 677185527 /nfs/dbraw/zinc/18/55/27/677185527.db2.gz VPRCLIYTJLBHAL-UHFFFAOYSA-N -1 1 363.439 2.170 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cc(OC)ns2)o1 ZINC000641349896 677202114 /nfs/dbraw/zinc/20/21/14/677202114.db2.gz BIEOKOBAKGICPT-LBPRGKRZSA-N -1 1 360.457 2.114 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1N=NC(=O)N1C ZINC000641565306 677210305 /nfs/dbraw/zinc/21/03/05/677210305.db2.gz LQIPIZJZFKKSDD-RXMQYKEDSA-N -1 1 369.205 2.006 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2CC(C)(CO)C2)cc1 ZINC000641621905 677211734 /nfs/dbraw/zinc/21/17/34/677211734.db2.gz SZYMOGQZAHMWDI-UHFFFAOYSA-N -1 1 362.451 2.315 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC000641703967 677214455 /nfs/dbraw/zinc/21/44/55/677214455.db2.gz AEWWSVODQOHBCE-GXTWGEPZSA-N -1 1 363.357 2.401 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cnc(-c4ccccc4)s3)nc2n1 ZINC000643909440 677234509 /nfs/dbraw/zinc/23/45/09/677234509.db2.gz YLVNHTJXRUFBAY-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM OC[C@@H](CN1CCCCC1)N=c1nc(-c2cc(F)cc(F)c2)[n-]s1 ZINC000645241353 677256242 /nfs/dbraw/zinc/25/62/42/677256242.db2.gz NHZPKXCADUWGBC-CQSZACIVSA-N -1 1 354.426 2.164 20 0 FEADMM Cc1cc(CC(C)(C)C(=O)NCc2nn[n-]n2)ccc1Br ZINC000645388480 677258650 /nfs/dbraw/zinc/25/86/50/677258650.db2.gz PKHRFOAICJUYJL-UHFFFAOYSA-N -1 1 352.236 2.156 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)NCc1cccs1 ZINC000645826012 677272417 /nfs/dbraw/zinc/27/24/17/677272417.db2.gz XAFDCYBJPDBIFX-ZDUSSCGKSA-N -1 1 374.434 2.400 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCO[C@@H]2C[C@@H]21 ZINC000646740130 677289743 /nfs/dbraw/zinc/28/97/43/677289743.db2.gz FFVCUXAHNLAHJF-DLBZAZTESA-N -1 1 358.419 2.101 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)[nH]nc1C(C)C ZINC000647278633 677299547 /nfs/dbraw/zinc/29/95/47/677299547.db2.gz WZBXCUMLLREZHQ-UHFFFAOYSA-N -1 1 351.354 2.395 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC(C)(C(=O)[O-])CC2)c(OC)c1 ZINC000647374174 677300837 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O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1cccc2c1OCCC2 ZINC000650454911 677376504 /nfs/dbraw/zinc/37/65/04/677376504.db2.gz BYKQDCHXAWZGNX-UHFFFAOYSA-N -1 1 363.439 2.430 20 0 FEADMM CC[C@@H](C(=O)[O-])N(C)Cc1cn(-c2ccccc2Br)nn1 ZINC000650806061 677390156 /nfs/dbraw/zinc/39/01/56/677390156.db2.gz PUXBJCFGGPSQDO-LBPRGKRZSA-N -1 1 353.220 2.325 20 0 FEADMM C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)n1ccnc1 ZINC000651746662 677449002 /nfs/dbraw/zinc/44/90/02/677449002.db2.gz YBHBFXWUCPQXHZ-YMTOWFKASA-N -1 1 363.784 2.046 20 0 FEADMM O=S(=O)([N-]C[C@]1(CO)CCc2ccccc21)c1cc(F)c(F)cc1F ZINC000651787877 677451822 /nfs/dbraw/zinc/45/18/22/677451822.db2.gz KXSNJUCFJJCJLO-KRWDZBQOSA-N -1 1 371.380 2.259 20 0 FEADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000651871775 677458720 /nfs/dbraw/zinc/45/87/20/677458720.db2.gz CGONMVRWBLBJOB-UHFFFAOYSA-N -1 1 373.463 2.473 20 0 FEADMM Cn1nccc1[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000652985201 677509804 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FEADMM C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC000655859746 677668144 /nfs/dbraw/zinc/66/81/44/677668144.db2.gz PDDKIFQSESDLTG-DOMZBBRYSA-N -1 1 353.850 2.497 20 0 FEADMM C[C@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC000655877312 677669425 /nfs/dbraw/zinc/66/94/25/677669425.db2.gz WOHWZPKPLGOKDI-MFKMUULPSA-N -1 1 361.364 2.328 20 0 FEADMM COCCn1nc(C)c([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)c1C ZINC000656624623 677790520 /nfs/dbraw/zinc/79/05/20/677790520.db2.gz QPSCORUYAZPVIX-OAHLLOKOSA-N -1 1 359.492 2.093 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1CNC2=O)C1CCCCC1 ZINC000656628677 677793514 /nfs/dbraw/zinc/79/35/14/677793514.db2.gz CZERITKPEPCCGL-INIZCTEOSA-N -1 1 352.456 2.267 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnccc1-n1cccn1)C1CCCC1 ZINC000656726382 677818029 /nfs/dbraw/zinc/81/80/29/677818029.db2.gz ACEFUNAPEYDKIH-MRXNPFEDSA-N -1 1 350.444 2.214 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)C1CCCC1 ZINC000656736241 677824019 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Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cccc(F)c2F)cn1 ZINC000657176939 677972960 /nfs/dbraw/zinc/97/29/60/677972960.db2.gz LOUQAFXJNAOPRV-JSGCOSHPSA-N -1 1 355.410 2.388 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(N)cc1F)c1nc(C2CC2)no1 ZINC000659903931 678224452 /nfs/dbraw/zinc/22/44/52/678224452.db2.gz KTIMSOAHFZUUGV-CYBMUJFWSA-N -1 1 354.407 2.344 20 0 FEADMM O=C([O-])CN1CC[C@H](N2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000662203520 678589712 /nfs/dbraw/zinc/58/97/12/678589712.db2.gz FFWPHPJASXOJAA-OCCSQVGLSA-N -1 1 359.451 2.161 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000763889962 680794643 /nfs/dbraw/zinc/79/46/43/680794643.db2.gz GIQFTIQVDHTDFF-UHFFFAOYSA-N -1 1 361.423 2.196 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000764039775 680798674 /nfs/dbraw/zinc/79/86/74/680798674.db2.gz QBEWJBVQLFUJHZ-UHFFFAOYSA-N -1 1 357.336 2.303 20 0 FEADMM CO[C@](C)(C(=O)[O-])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000663111461 678692546 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O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670405025 679281922 /nfs/dbraw/zinc/28/19/22/679281922.db2.gz KEXVESGVPWWHNI-GFCCVEGCSA-N -1 1 363.801 2.386 20 0 FEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000671065852 679309330 /nfs/dbraw/zinc/30/93/30/679309330.db2.gz LXKOBSXRLVWFDD-UHFFFAOYSA-N -1 1 351.354 2.088 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)CCc2cccs2)C2CCOCC2)n1 ZINC000671415962 679324496 /nfs/dbraw/zinc/32/44/96/679324496.db2.gz HBXSNLODSQQIGG-AWEZNQCLSA-N -1 1 371.484 2.069 20 0 FEADMM Cn1[n-]c(COC(=O)c2ccc(-c3nc4ccccc4s3)o2)nc1=O ZINC000765395544 680840918 /nfs/dbraw/zinc/84/09/18/680840918.db2.gz XPOVXRIPHFEGBY-UHFFFAOYSA-N -1 1 356.363 2.335 20 0 FEADMM CC[C@H](Cc1ccccc1Br)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765494744 680844125 /nfs/dbraw/zinc/84/41/25/680844125.db2.gz GLBZYKJBNUZDRX-SNVBAGLBSA-N -1 1 368.231 2.183 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)ccc1O ZINC000675753019 679579005 /nfs/dbraw/zinc/57/90/05/679579005.db2.gz DUWBFQBRMWHAFH-UHFFFAOYSA-N -1 1 352.416 2.172 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)c(F)c1 ZINC000676851314 679644905 /nfs/dbraw/zinc/64/49/05/679644905.db2.gz OWPOWMPTAVUEOQ-MRXNPFEDSA-N -1 1 357.378 2.159 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000677147212 679656517 /nfs/dbraw/zinc/65/65/17/679656517.db2.gz BPFXJGLDANVTMX-VCTAVGKDSA-N -1 1 359.394 2.209 20 0 FEADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1csc(-c2cccs2)n1 ZINC000830965277 679902245 /nfs/dbraw/zinc/90/22/45/679902245.db2.gz BUESKZIMEJZPOK-UHFFFAOYSA-N -1 1 374.447 2.370 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c[nH]nc1Cl ZINC000831097076 679922653 /nfs/dbraw/zinc/92/26/53/679922653.db2.gz QGMBCCAGMXZZCQ-NWDGAFQWSA-N -1 1 359.810 2.401 20 0 FEADMM O=C(Cc1coc2cc(F)ccc12)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831140457 679931874 /nfs/dbraw/zinc/93/18/74/679931874.db2.gz XKDYGZNNQIAWMN-UHFFFAOYSA-N -1 1 358.291 2.251 20 0 FEADMM O=C([N-]CC1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1)C(F)(F)F ZINC000831145583 679933854 /nfs/dbraw/zinc/93/38/54/679933854.db2.gz YZWXHGJAUTYXSN-GHMZBOCLSA-N -1 1 362.298 2.205 20 0 FEADMM Cc1nc(C(F)(F)F)ccc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831154181 679934991 /nfs/dbraw/zinc/93/49/91/679934991.db2.gz JUNQJTLRHGGUNX-UHFFFAOYSA-N -1 1 369.265 2.159 20 0 FEADMM COc1cccc(CNC(=O)COC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000749278712 680035663 /nfs/dbraw/zinc/03/56/63/680035663.db2.gz KRBXTICOHSMLAV-UHFFFAOYSA-N -1 1 351.305 2.152 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)s1 ZINC000832148130 680101923 /nfs/dbraw/zinc/10/19/23/680101923.db2.gz LMDWSUVOSLLIQH-SNVBAGLBSA-N -1 1 358.268 2.397 20 0 FEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000832180428 680106878 /nfs/dbraw/zinc/10/68/78/680106878.db2.gz SEXPUDDJKMJAKQ-SNVBAGLBSA-N -1 1 351.346 2.326 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)o1 ZINC000832494382 680139887 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CCCCCCN(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC000842871722 680972533 /nfs/dbraw/zinc/97/25/33/680972533.db2.gz RVKAWLDFKNVQNA-UHFFFAOYSA-N -1 1 362.442 2.423 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc3ccsc32)CCC1 ZINC000843014985 680981894 /nfs/dbraw/zinc/98/18/94/680981894.db2.gz KJHNHFKELSJFQW-UHFFFAOYSA-N -1 1 352.481 2.445 20 0 FEADMM C/C(=C/c1ccc(C)cc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843014863 680981977 /nfs/dbraw/zinc/98/19/77/680981977.db2.gz HJRFPBUGNNPZIW-QINSGFPZSA-N -1 1 350.484 2.329 20 0 FEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017107 680982429 /nfs/dbraw/zinc/98/24/29/680982429.db2.gz ZALGCFIGGDTDEG-OLZOCXBDSA-N -1 1 356.513 2.090 20 0 FEADMM Cc1cccc(OCCCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843017506 680982700 /nfs/dbraw/zinc/98/27/00/680982700.db2.gz HLLMHZNCKWXLHH-UHFFFAOYSA-N -1 1 368.499 2.084 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCc3ccccc32)CCC1 ZINC000843018678 680982852 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/nfs/dbraw/zinc/96/13/55/690961355.db2.gz YHCGQZTXCRHFQJ-QWHCGFSZSA-N -1 1 368.455 2.316 20 0 FEADMM COCCN(CCC(=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000903712711 690966044 /nfs/dbraw/zinc/96/60/44/690966044.db2.gz RQHDNBYWSJEJCA-AWEZNQCLSA-N -1 1 358.797 2.008 20 0 FEADMM COCCN(CCC(=O)[O-])[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000903712245 690966093 /nfs/dbraw/zinc/96/60/93/690966093.db2.gz UMFUIXPOYOQHDS-LBPRGKRZSA-N -1 1 374.840 2.249 20 0 FEADMM Cn1nc2c(c1CNCc1cc(F)c(C(=O)[O-])c(F)c1)CSCC2 ZINC000904017953 690995014 /nfs/dbraw/zinc/99/50/14/690995014.db2.gz NHTGNTKPMWZDJI-UHFFFAOYSA-N -1 1 353.394 2.476 20 0 FEADMM Cc1c([C@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])cnn1C ZINC000904048216 690997821 /nfs/dbraw/zinc/99/78/21/690997821.db2.gz OSDQEKGGCBZNTN-ZDUSSCGKSA-N -1 1 354.204 2.112 20 0 FEADMM COc1cc(Br)cc(CNCc2cc(C(=O)[O-])nn2C)c1 ZINC000904259076 691015977 /nfs/dbraw/zinc/01/59/77/691015977.db2.gz XJZXKFJEVMVRBL-UHFFFAOYSA-N -1 1 354.204 2.179 20 0 FEADMM O=C([O-])[C@]1(c2nc(CCc3c(Cl)cccc3Cl)no2)CNCCO1 ZINC000904673580 691039724 /nfs/dbraw/zinc/03/97/24/691039724.db2.gz KRWNBJDNGVECKV-OAHLLOKOSA-N -1 1 372.208 2.061 20 0 FEADMM CC(C)n1cc(Br)c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)n1 ZINC000904936378 691053801 /nfs/dbraw/zinc/05/38/01/691053801.db2.gz NDLCNCBCIWTJAF-UHFFFAOYSA-N -1 1 363.219 2.134 20 0 FEADMM COc1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c2cccnc12 ZINC000906062282 691224629 /nfs/dbraw/zinc/22/46/29/691224629.db2.gz XWBPCWXYRKIZNA-UHFFFAOYSA-N -1 1 355.441 2.162 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCCN2C2CC2)cc1C(=O)[O-] ZINC000906958096 691354401 /nfs/dbraw/zinc/35/44/01/691354401.db2.gz WMGQVHLMTOKUKI-HNNXBMFYSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000906981677 691359958 /nfs/dbraw/zinc/35/99/58/691359958.db2.gz NAVUJPGJMJNTGX-QWHCGFSZSA-N -1 1 370.446 2.080 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)s1 ZINC000906997213 691364964 /nfs/dbraw/zinc/36/49/64/691364964.db2.gz WHOSTPKWOZCSBM-UHFFFAOYSA-N -1 1 364.832 2.217 20 0 FEADMM CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000907005345 691367235 /nfs/dbraw/zinc/36/72/35/691367235.db2.gz ABRAECDUEQBWIV-LLVKDONJSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000907026673 691373711 /nfs/dbraw/zinc/37/37/11/691373711.db2.gz NQEIBJLCKUJEAQ-HUUCEWRRSA-N -1 1 370.446 2.128 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCN2C(C)(C)C)cc1C(=O)[O-] ZINC000907029345 691374855 /nfs/dbraw/zinc/37/48/55/691374855.db2.gz OREDFMRDADPQGD-ZDUSSCGKSA-N -1 1 354.472 2.153 20 0 FEADMM C[C@H](CN1CCC(C)CC1)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000907042074 691378258 /nfs/dbraw/zinc/37/82/58/691378258.db2.gz SCUTZBCBTJQRPO-OAHLLOKOSA-N -1 1 368.499 2.103 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(Br)o1 ZINC000907469031 691490826 /nfs/dbraw/zinc/49/08/26/691490826.db2.gz GCKLPJREJOGHIE-ZJUUUORDSA-N -1 1 350.234 2.278 20 0 FEADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472798 691492903 /nfs/dbraw/zinc/49/29/03/691492903.db2.gz CVSYIVJDJHBBQR-GXFFZTMASA-N -1 1 351.863 2.348 20 0 FEADMM CC[C@@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(OC)cc1 ZINC000907473932 691493509 /nfs/dbraw/zinc/49/35/09/691493509.db2.gz IGXJYAQDFDCHDN-SWLSCSKDSA-N -1 1 361.471 2.409 20 0 FEADMM COc1ccccc1C/C(C)=C\C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475017 691493892 /nfs/dbraw/zinc/49/38/92/691493892.db2.gz MLBAOWDNSIXZMC-HCYCVZQXSA-N -1 1 359.455 2.014 20 0 FEADMM O=C(Cc1cccc(Cl)c1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907477615 691495703 /nfs/dbraw/zinc/49/57/03/691495703.db2.gz GANHRRCWWRSFSL-JTQLQIEISA-N -1 1 358.254 2.366 20 0 FEADMM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3ncccc3Br)C2)CO1 ZINC000907730774 691548421 /nfs/dbraw/zinc/54/84/21/691548421.db2.gz GWJKZPPMHARPFI-TTXORMCVSA-N -1 1 361.261 2.080 20 0 FEADMM CS(=O)(=O)[C@H]1CCCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000907777244 691558347 /nfs/dbraw/zinc/55/83/47/691558347.db2.gz FFFOVSDNCDUZKE-NSHDSACASA-N -1 1 366.414 2.119 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C2CC3(C2)COC(C)(C)C3)c(C(F)(F)F)n1 ZINC000907999452 691595259 /nfs/dbraw/zinc/59/52/59/691595259.db2.gz KWEWMNNCDOYBNX-UHFFFAOYSA-N -1 1 367.393 2.065 20 0 FEADMM O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000908010713 691597925 /nfs/dbraw/zinc/59/79/25/691597925.db2.gz HPSBSYRSGHVWHF-ZDUSSCGKSA-N -1 1 358.423 2.043 20 0 FEADMM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1nc[nH]c1Br ZINC000908067838 691608858 /nfs/dbraw/zinc/60/88/58/691608858.db2.gz KAAYCQLHQFWPFI-ZETCQYMHSA-N -1 1 358.208 2.276 20 0 FEADMM Cn1cc([C@]2(C[N-]S(=O)(=O)c3cc4ccccc4o3)CCCO2)cn1 ZINC000908101381 691613950 /nfs/dbraw/zinc/61/39/50/691613950.db2.gz KHRIYTBXVHHCIH-QGZVFWFLSA-N -1 1 361.423 2.151 20 0 FEADMM Cc1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2ncccc2Br)[nH]1 ZINC000908176966 691630800 /nfs/dbraw/zinc/63/08/00/691630800.db2.gz SABWUCJDEGYOLU-ZCFIWIBFSA-N -1 1 360.162 2.240 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCOC2CCSCC2)c(F)c1 ZINC000908453106 691682097 /nfs/dbraw/zinc/68/20/97/691682097.db2.gz YNBBNYHOYPQNAB-UHFFFAOYSA-N -1 1 351.440 2.464 20 0 FEADMM CN(C)[C@@H](C(=O)Nc1cccc([O-])c1Br)c1cncn1C ZINC000908706912 691715675 /nfs/dbraw/zinc/71/56/75/691715675.db2.gz AYKRTORMKZCLBV-CYBMUJFWSA-N -1 1 353.220 2.130 20 0 FEADMM CCOC(=O)C1(C(=O)Nc2cccc([O-])c2Br)CCOCC1 ZINC000908708013 691716138 /nfs/dbraw/zinc/71/61/38/691716138.db2.gz MRFZVYAZZNXQLX-UHFFFAOYSA-N -1 1 372.215 2.453 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCSc3c(F)cccc32)C1 ZINC000908726237 691719196 /nfs/dbraw/zinc/71/91/96/691719196.db2.gz GPBYJJLWGKSVNV-RISCZKNCSA-N -1 1 352.431 2.275 20 0 FEADMM O=C([O-])[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1cccs1 ZINC000908808913 691733315 /nfs/dbraw/zinc/73/33/15/691733315.db2.gz LHGOKPAVUMEZCW-MRXNPFEDSA-N -1 1 359.451 2.231 20 0 FEADMM O=C([O-])C[C@H](NC(=O)CN1CCCC1)c1cccc(Br)c1 ZINC000908871191 691743752 /nfs/dbraw/zinc/74/37/52/691743752.db2.gz DIACOPNBHRLYKX-ZDUSSCGKSA-N -1 1 355.232 2.177 20 0 FEADMM O=C([O-])C[C@@H](NC(=O)CCc1cnc[nH]1)c1cccc(Br)c1 ZINC000908870256 691743918 /nfs/dbraw/zinc/74/39/18/691743918.db2.gz KNCKJDGYIQRPRQ-CYBMUJFWSA-N -1 1 366.215 2.437 20 0 FEADMM CCc1cc(CNC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)n[nH]1 ZINC000908981154 691761395 /nfs/dbraw/zinc/76/13/95/691761395.db2.gz HNCLDCMDFVJYNW-UHFFFAOYSA-N -1 1 350.806 2.422 20 0 FEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000908991086 691763051 /nfs/dbraw/zinc/76/30/51/691763051.db2.gz XBBUPHDMKBJGKA-VNHYZAJKSA-N -1 1 351.447 2.052 20 0 FEADMM O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(CN2CCCCC2)o1 ZINC000909003794 691764874 /nfs/dbraw/zinc/76/48/74/691764874.db2.gz BXFFSRDDWOTHLC-ZDUSSCGKSA-N -1 1 352.456 2.298 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC2CC1(C(=O)[O-])C2)c1ccc(Cl)cc1 ZINC000909121749 691781313 /nfs/dbraw/zinc/78/13/13/691781313.db2.gz GFAZAJSCNLXFQA-CHHLVHLRSA-N -1 1 351.834 2.201 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909121786 691781360 /nfs/dbraw/zinc/78/13/60/691781360.db2.gz HOSNCBHQDHIZIJ-CABCVRRESA-N -1 1 353.850 2.495 20 0 FEADMM O=C([O-])C[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCO1 ZINC000909266756 691801840 /nfs/dbraw/zinc/80/18/40/691801840.db2.gz AGXOIPVSVIZUJL-QMMMGPOBSA-N -1 1 355.803 2.107 20 0 FEADMM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCc1cnc[nH]1 ZINC000909387569 691815664 /nfs/dbraw/zinc/81/56/64/691815664.db2.gz LCQMDBXXAQNMGY-CYBMUJFWSA-N -1 1 356.209 2.461 20 0 FEADMM O=C([O-])[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(F)c1 ZINC000909390974 691816718 /nfs/dbraw/zinc/81/67/18/691816718.db2.gz MVNBORUJVZJCED-OTYXRUKQSA-N -1 1 351.765 2.249 20 0 FEADMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc([O-])c(F)cc1F ZINC000909974099 691877659 /nfs/dbraw/zinc/87/76/59/691877659.db2.gz GBTGKVBLDCDDSX-UWVGGRQHSA-N -1 1 352.337 2.174 20 0 FEADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909984632 691878377 /nfs/dbraw/zinc/87/83/77/691878377.db2.gz QXCVMMBKUUFECM-ZDUSSCGKSA-N -1 1 358.341 2.245 20 0 FEADMM CN(CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-])[C@H]1CCSC1 ZINC000910108446 691888828 /nfs/dbraw/zinc/88/88/28/691888828.db2.gz RBVNTYHZXRKEIQ-LPHOPBHVSA-N -1 1 362.495 2.112 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000910170760 691896222 /nfs/dbraw/zinc/89/62/22/691896222.db2.gz NVMLHISRRPKTOJ-SNVBAGLBSA-N -1 1 360.332 2.032 20 0 FEADMM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC000910316447 691915314 /nfs/dbraw/zinc/91/53/14/691915314.db2.gz UQIIHANFDBSBBD-SGTLLEGYSA-N -1 1 361.829 2.370 20 0 FEADMM C[C@]1(C(=O)[O-])CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCO1 ZINC000910327343 691916834 /nfs/dbraw/zinc/91/68/34/691916834.db2.gz IIONQONQSDXFME-CQSZACIVSA-N -1 1 355.803 2.107 20 0 FEADMM Cc1nc(C2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)sc1C(=O)[O-] ZINC000910358339 691921326 /nfs/dbraw/zinc/92/13/26/691921326.db2.gz SBGYLOICCHGLFZ-VXGBXAGGSA-N -1 1 360.439 2.383 20 0 FEADMM Cc1cccc([C@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])c1C ZINC000909800208 939737729 /nfs/dbraw/zinc/73/77/29/939737729.db2.gz IXBGFLIALKFXBP-TVPLGVNVSA-N -1 1 374.481 2.436 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2)CC1 ZINC000663115849 939856756 /nfs/dbraw/zinc/85/67/56/939856756.db2.gz WCSXAYVCPAHKBQ-GOSISDBHSA-N -1 1 359.470 2.264 20 0 FEADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(=O)n(C)n2)[nH][n-]1 ZINC000512848399 538982200 /nfs/dbraw/zinc/98/22/00/538982200.db2.gz DYUGFOUSXHNLPD-UHFFFAOYSA-N -1 1 359.773 2.085 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2Cc3ccc(Cl)cc3C2)o1 ZINC000800158820 674027692 /nfs/dbraw/zinc/02/76/92/674027692.db2.gz VDHYOHDWIYGXLK-LBPRGKRZSA-N -1 1 355.799 2.165 20 0 FEADMM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549314287 674033239 /nfs/dbraw/zinc/03/32/39/674033239.db2.gz FJVUNPMPHZAABR-GHMZBOCLSA-N -1 1 369.409 2.313 20 0 FEADMM Cc1cccc(OCC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000549322784 674033686 /nfs/dbraw/zinc/03/36/86/674033686.db2.gz WLXFMQHQRXZBNP-UHFFFAOYSA-N -1 1 363.361 2.105 20 0 FEADMM C[C@H]1CC(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@H](C)O1 ZINC000549426492 674041043 /nfs/dbraw/zinc/04/10/43/674041043.db2.gz TWTCVIBBVSZNCN-UWVGGRQHSA-N -1 1 369.409 2.311 20 0 FEADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1C ZINC000007053627 539446132 /nfs/dbraw/zinc/44/61/32/539446132.db2.gz YNSIDXQFJYERNJ-UHFFFAOYSA-N -1 1 368.480 2.368 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(F)c(Cl)c1 ZINC000007423102 539457947 /nfs/dbraw/zinc/45/79/47/539457947.db2.gz KDTKJJAMLCFVAG-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1C ZINC000007423640 539458328 /nfs/dbraw/zinc/45/83/28/539458328.db2.gz XPESRVSNLUSAOU-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1OC ZINC000012647769 539569112 /nfs/dbraw/zinc/56/91/12/539569112.db2.gz AJSGZOGYRHVJDZ-UHFFFAOYSA-N -1 1 362.407 2.024 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c1 ZINC000026539478 539789095 /nfs/dbraw/zinc/78/90/95/539789095.db2.gz WJBKEJDEVIEQML-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000031669432 539915144 /nfs/dbraw/zinc/91/51/44/539915144.db2.gz UDHOFHBLBVEMSV-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM COc1ccc(NC(=O)c2sc(C)nc2C)cc1[N-]S(C)(=O)=O ZINC000031980664 539924872 /nfs/dbraw/zinc/92/48/72/539924872.db2.gz XIZWLVSAUBRJEA-UHFFFAOYSA-N -1 1 355.441 2.392 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000032629053 539945068 /nfs/dbraw/zinc/94/50/68/539945068.db2.gz XILRHVNRJWLZHR-UHFFFAOYSA-N -1 1 352.387 2.141 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000036180645 539988024 /nfs/dbraw/zinc/98/80/24/539988024.db2.gz OOKGBWZJVKMCAA-UHFFFAOYSA-N -1 1 353.371 2.433 20 0 FEADMM CSCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000034193762 324484986 /nfs/dbraw/zinc/48/49/86/324484986.db2.gz BEKMUWYXABXOBW-LURJTMIESA-N -1 1 350.314 2.447 20 0 FEADMM CNC(=O)c1cccc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000041852183 540036129 /nfs/dbraw/zinc/03/61/29/540036129.db2.gz ZZJKXLSCZURJNY-UHFFFAOYSA-N -1 1 361.423 2.110 20 0 FEADMM CC(=O)N1CCC(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000043879451 540113996 /nfs/dbraw/zinc/11/39/96/540113996.db2.gz FAEZJCXIYUCGSH-UHFFFAOYSA-N -1 1 373.453 2.007 20 0 FEADMM O=C(COC1CCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000045010687 540146536 /nfs/dbraw/zinc/14/65/36/540146536.db2.gz MYVWKUPKYXZHFS-UHFFFAOYSA-N -1 1 368.455 2.074 20 0 FEADMM CCOCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000047064582 540288011 /nfs/dbraw/zinc/28/80/11/540288011.db2.gz PDPZLLREBKEUTR-UHFFFAOYSA-N -1 1 358.460 2.178 20 0 FEADMM C[C@@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)N1C(=O)CCC1=O ZINC000533842533 540294184 /nfs/dbraw/zinc/29/41/84/540294184.db2.gz KXWQLAGUDSFBQK-ZETCQYMHSA-N -1 1 352.803 2.268 20 0 FEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(=O)[nH]n1 ZINC000047119743 540290369 /nfs/dbraw/zinc/29/03/69/540290369.db2.gz KZVVVQACBSOBPA-UHFFFAOYSA-N -1 1 370.390 2.235 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000054293557 540581959 /nfs/dbraw/zinc/58/19/59/540581959.db2.gz IQOTURZFWIQCOZ-UHFFFAOYSA-N -1 1 374.397 2.172 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000055576856 540660568 /nfs/dbraw/zinc/66/05/68/540660568.db2.gz WRHMHODAWJOOKQ-UHFFFAOYSA-N -1 1 357.334 2.317 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccccc3-n3cccn3)cc2N1 ZINC000055588052 540661279 /nfs/dbraw/zinc/66/12/79/540661279.db2.gz AGRPPGVEPUGWHU-UHFFFAOYSA-N -1 1 370.390 2.004 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1OC ZINC000055686662 540670713 /nfs/dbraw/zinc/67/07/13/540670713.db2.gz IEVSMIBJDXJXDJ-UHFFFAOYSA-N -1 1 374.422 2.144 20 0 FEADMM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000057121916 540770101 /nfs/dbraw/zinc/77/01/01/540770101.db2.gz IUKHRMXTXTXWAI-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCCOC2CCCC2)c(=O)[n-]1 ZINC000061256396 541128399 /nfs/dbraw/zinc/12/83/99/541128399.db2.gz YBVUOUJGLSVVGQ-UHFFFAOYSA-N -1 1 353.488 2.198 20 0 FEADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)cc1 ZINC000063442337 541168210 /nfs/dbraw/zinc/16/82/10/541168210.db2.gz DVGSFFBBEYNDBZ-UHFFFAOYSA-N -1 1 352.412 2.306 20 0 FEADMM O=C1CCC(=O)N1Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000063443642 541168396 /nfs/dbraw/zinc/16/83/96/541168396.db2.gz LUJMYRKKGPHNCP-UHFFFAOYSA-N -1 1 362.382 2.276 20 0 FEADMM Cc1cccc(C(=O)N[C@@H](C)C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638509 541352754 /nfs/dbraw/zinc/35/27/54/541352754.db2.gz ZEIMOVJYUGBHCY-NSHDSACASA-N -1 1 359.455 2.019 20 0 FEADMM Cc1ccc(N2C[C@H](C(=O)NCc3n[n-]c(=S)n3C(C)C)CC2=O)cc1 ZINC000066650032 541355413 /nfs/dbraw/zinc/35/54/13/541355413.db2.gz XFRJRLHCIXCPPN-CYBMUJFWSA-N -1 1 373.482 2.499 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)n[n-]c1=S ZINC000066928268 541395729 /nfs/dbraw/zinc/39/57/29/541395729.db2.gz MCEXVMBGRNOJMY-OTTFEQOBSA-N -1 1 365.503 2.004 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)n[n-]c1=S ZINC000067071579 541413898 /nfs/dbraw/zinc/41/38/98/541413898.db2.gz DRQVZPMDANTHTH-ZDUSSCGKSA-N -1 1 365.503 2.319 20 0 FEADMM CCn1c(CCNC(=O)Cc2nc(-c3ccco3)oc2C)n[n-]c1=S ZINC000067077824 541414462 /nfs/dbraw/zinc/41/44/62/541414462.db2.gz AKXIIQXZTTUFND-UHFFFAOYSA-N -1 1 361.427 2.418 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067813368 541516921 /nfs/dbraw/zinc/51/69/21/541516921.db2.gz OWFLHRNORSRDAK-ZWKOTPCHSA-N -1 1 360.417 2.355 20 0 FEADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c1 ZINC000068216253 541564288 /nfs/dbraw/zinc/56/42/88/541564288.db2.gz MAOVFBNFYYLICH-UHFFFAOYSA-N -1 1 374.418 2.468 20 0 FEADMM COC(=O)NC(C)(C)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068446614 541593306 /nfs/dbraw/zinc/59/33/06/541593306.db2.gz YKEMPNNINHFDLN-UHFFFAOYSA-N -1 1 369.491 2.362 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc([O-])cc2)c(OC)c1 ZINC000069163539 541664865 /nfs/dbraw/zinc/66/48/65/541664865.db2.gz XOHDHMBCNHSVAF-NSHDSACASA-N -1 1 365.407 2.210 20 0 FEADMM CCCCOc1ncccc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000070700565 541737328 /nfs/dbraw/zinc/73/73/28/541737328.db2.gz ANPYAMZAYXPHFI-UHFFFAOYSA-N -1 1 352.394 2.427 20 0 FEADMM CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551146721 674126770 /nfs/dbraw/zinc/12/67/70/674126770.db2.gz GGASIASRGWUIFR-UHFFFAOYSA-N -1 1 370.833 2.360 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000074049859 542029562 /nfs/dbraw/zinc/02/95/62/542029562.db2.gz FEVVVQFVPYUBDG-UHFFFAOYSA-N -1 1 357.395 2.231 20 0 FEADMM COc1ccc(OC)c([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000074272623 542062542 /nfs/dbraw/zinc/06/25/42/542062542.db2.gz WXQZVHUJYHCUJT-NSHDSACASA-N -1 1 353.378 2.431 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)[C@H]3Cc4cc(Br)ccc4O3)ccnc1-2 ZINC000801701767 674144586 /nfs/dbraw/zinc/14/45/86/674144586.db2.gz FOINGWMVZKTFTH-CQSZACIVSA-N -1 1 373.210 2.047 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)c[nH]1 ZINC000071946530 221389550 /nfs/dbraw/zinc/38/95/50/221389550.db2.gz XNUXYFRIPSRORD-UHFFFAOYSA-N -1 1 366.786 2.353 20 0 FEADMM O=C(NCCCOCCc1ccccc1)c1nc2ccccc2c(=O)[n-]1 ZINC000079413596 542516363 /nfs/dbraw/zinc/51/63/63/542516363.db2.gz LFWJMZCSDZMDBT-UHFFFAOYSA-N -1 1 351.406 2.302 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000080437549 542589531 /nfs/dbraw/zinc/58/95/31/542589531.db2.gz OUBPLOLTXWRWSM-CYBMUJFWSA-N -1 1 352.387 2.304 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nncn1Cc1ccccc1 ZINC000081759906 542675213 /nfs/dbraw/zinc/67/52/13/542675213.db2.gz PTEOBIZCXLBQNL-UHFFFAOYSA-N -1 1 366.425 2.268 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000081943222 542680408 /nfs/dbraw/zinc/68/04/08/542680408.db2.gz UUPQOPVVYRLKFF-AWEZNQCLSA-N -1 1 371.437 2.062 20 0 FEADMM CCCn1c(C)nnc1CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000090989168 542789762 /nfs/dbraw/zinc/78/97/62/542789762.db2.gz PKBIVYWGYUYRTO-UHFFFAOYSA-N -1 1 366.491 2.211 20 0 FEADMM O=c1[n-]c(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n[nH]1 ZINC000091617809 542815895 /nfs/dbraw/zinc/81/58/95/542815895.db2.gz ANIRXVYATBPBOS-NSHDSACASA-N -1 1 360.805 2.181 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(F)ccc1[O-] ZINC000094078392 542950230 /nfs/dbraw/zinc/95/02/30/542950230.db2.gz NEURWLFBGFAIIG-KRWDZBQOSA-N -1 1 356.397 2.495 20 0 FEADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000094138832 542954161 /nfs/dbraw/zinc/95/41/61/542954161.db2.gz KBHKMZRXVPOOPM-BDAKNGLRSA-N -1 1 364.261 2.048 20 0 FEADMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)c1ccco1 ZINC000101576886 543035236 /nfs/dbraw/zinc/03/52/36/543035236.db2.gz JTBQFABRNAKOGO-OAHLLOKOSA-N -1 1 366.439 2.071 20 0 FEADMM CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(-c3ccccn3)n[nH]1)CO2 ZINC000106749465 543244631 /nfs/dbraw/zinc/24/46/31/543244631.db2.gz ZEWWSLYZGIXCKK-CYBMUJFWSA-N -1 1 365.393 2.455 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)CCN(C)c2ccccc2)c(=O)[n-]1 ZINC000107504444 543271963 /nfs/dbraw/zinc/27/19/63/543271963.db2.gz DEXNLKWELSRKNE-UHFFFAOYSA-N -1 1 374.510 2.328 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC000108892081 543307286 /nfs/dbraw/zinc/30/72/86/543307286.db2.gz QMPCAGIPDVBMRM-KBPBESRZSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)[n-]1 ZINC000108892081 543307287 /nfs/dbraw/zinc/30/72/87/543307287.db2.gz QMPCAGIPDVBMRM-KBPBESRZSA-N -1 1 356.407 2.104 20 0 FEADMM CCc1nc([C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000110497116 543359233 /nfs/dbraw/zinc/35/92/33/543359233.db2.gz QVYKRABOTGGHEO-JTQLQIEISA-N -1 1 359.455 2.078 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc2c[nH]nc2c1)c1ccccc1 ZINC000551933658 674174351 /nfs/dbraw/zinc/17/43/51/674174351.db2.gz BIKWPPFJROLOFG-OAHLLOKOSA-N -1 1 359.407 2.261 20 0 FEADMM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000112015610 543426716 /nfs/dbraw/zinc/42/67/16/543426716.db2.gz SPUXIDDREPHSQH-ZETCQYMHSA-N -1 1 357.657 2.201 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114412438 543514009 /nfs/dbraw/zinc/51/40/09/543514009.db2.gz KGZBOVIDLDYFBF-UHFFFAOYSA-N -1 1 374.828 2.160 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000115170927 543553659 /nfs/dbraw/zinc/55/36/59/543553659.db2.gz NKZMQLXZVBLJRY-GOSISDBHSA-N -1 1 363.417 2.435 20 0 FEADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC(C)C ZINC000802665532 674190978 /nfs/dbraw/zinc/19/09/78/674190978.db2.gz QCHZQFFVGVNWOL-UHFFFAOYSA-N -1 1 361.412 2.391 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116094765 543598244 /nfs/dbraw/zinc/59/82/44/543598244.db2.gz DQWNEWJWLIWNBN-WFASDCNBSA-N -1 1 372.375 2.132 20 0 FEADMM CNC(=O)c1ccc(C)c(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000116921753 543620034 /nfs/dbraw/zinc/62/00/34/543620034.db2.gz UASAMQGFEDGWMS-UHFFFAOYSA-N -1 1 374.466 2.040 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc2c(cccc2Br)[nH]1)c1nn[n-]n1 ZINC000123991334 543795233 /nfs/dbraw/zinc/79/52/33/543795233.db2.gz VPTZHJIXUVYZCV-MRVPVSSYSA-N -1 1 363.219 2.319 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000126088450 543917812 /nfs/dbraw/zinc/91/78/12/543917812.db2.gz GAGBYTRTJAAKFP-KGLIPLIRSA-N -1 1 370.453 2.080 20 0 FEADMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1sccc1Br ZINC000126412977 543934736 /nfs/dbraw/zinc/93/47/36/543934736.db2.gz REKPMHDJVCYAGV-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM C[C@@H](C(=O)Nc1cc(Cl)ccc1F)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127176546 543976721 /nfs/dbraw/zinc/97/67/21/543976721.db2.gz NSSFMPRYVXCTML-ZETCQYMHSA-N -1 1 372.809 2.276 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127190305 543977303 /nfs/dbraw/zinc/97/73/03/543977303.db2.gz IHEHIKQHSPZKAL-QMMMGPOBSA-N -1 1 354.819 2.136 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127195065 543978087 /nfs/dbraw/zinc/97/80/87/543978087.db2.gz YYPMPZVEGFNTMJ-QMMMGPOBSA-N -1 1 354.819 2.136 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(F)cc1F ZINC000127791338 544013917 /nfs/dbraw/zinc/01/39/17/544013917.db2.gz HLPMTHZUWVUQQC-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM C[C@H](O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127408889 543991587 /nfs/dbraw/zinc/99/15/87/543991587.db2.gz PRPLUQRXXKLULM-SUMWQHHRSA-N -1 1 356.422 2.037 20 0 FEADMM CCC[C@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nn[n-]n1 ZINC000127592512 544002553 /nfs/dbraw/zinc/00/25/53/544002553.db2.gz NTZKYLVKGQHLSH-INIZCTEOSA-N -1 1 364.409 2.468 20 0 FEADMM O=C(CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc2c(c1)CCCC2 ZINC000129399188 544110244 /nfs/dbraw/zinc/11/02/44/544110244.db2.gz KOGNOVPMYCZZPB-KRWDZBQOSA-N -1 1 367.453 2.448 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000097543545 222190098 /nfs/dbraw/zinc/19/00/98/222190098.db2.gz IXOXWWPVJYQGRM-UHFFFAOYSA-N -1 1 374.340 2.437 20 0 FEADMM O=S(=O)([N-]C[C@H]1CN2CCCC[C@@H]2CO1)c1c(F)cccc1Cl ZINC000133199544 544259933 /nfs/dbraw/zinc/25/99/33/544259933.db2.gz BADHSDUKHUQQLU-NEPJUHHUSA-N -1 1 362.854 2.011 20 0 FEADMM O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000133387342 544267667 /nfs/dbraw/zinc/26/76/67/544267667.db2.gz HWSDJPIZRMFWFL-LLVKDONJSA-N -1 1 362.821 2.057 20 0 FEADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000133955667 544289175 /nfs/dbraw/zinc/28/91/75/544289175.db2.gz LRBLCQJSXQRWRV-UHFFFAOYSA-N -1 1 350.440 2.358 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(N(C)C(C)C)c2)co1 ZINC000133023989 544252791 /nfs/dbraw/zinc/25/27/91/544252791.db2.gz LUVASQCQMRXELA-UHFFFAOYSA-N -1 1 351.428 2.285 20 0 FEADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000133104505 544256631 /nfs/dbraw/zinc/25/66/31/544256631.db2.gz UMWJKCUKSPTASF-UHFFFAOYSA-N -1 1 363.460 2.306 20 0 FEADMM O=C1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134095423 544294162 /nfs/dbraw/zinc/29/41/62/544294162.db2.gz REXMUNHVCIEZCI-UHFFFAOYSA-N -1 1 356.403 2.300 20 0 FEADMM Cc1nn(C)c(C)c1CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000135679788 544358568 /nfs/dbraw/zinc/35/85/68/544358568.db2.gz JXYFVIPEFGWOMW-UHFFFAOYSA-N -1 1 352.232 2.478 20 0 FEADMM O=C(CCCCc1c[nH]nn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000138401789 544396133 /nfs/dbraw/zinc/39/61/33/544396133.db2.gz JYBLSKXRDDYOIS-UHFFFAOYSA-N -1 1 356.426 2.345 20 0 FEADMM CCC[C@H](NC(=O)CSc1ccc(C(C)=O)c(F)c1)c1nn[n-]n1 ZINC000136661203 544376226 /nfs/dbraw/zinc/37/62/26/544376226.db2.gz SECFKIJQPUNDCS-ZDUSSCGKSA-N -1 1 351.407 2.291 20 0 FEADMM CCC[C@@H](NC(=O)CN(Cc1cccnc1)c1ccccc1)c1nn[n-]n1 ZINC000136735995 544378114 /nfs/dbraw/zinc/37/81/14/544378114.db2.gz ZJYIJLOCAGIJFG-QGZVFWFLSA-N -1 1 365.441 2.259 20 0 FEADMM C[C@H](CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C(=O)c1ccc(Cl)cc1 ZINC000152574391 544669249 /nfs/dbraw/zinc/66/92/49/544669249.db2.gz LCWHBILRBOXSSN-DGCLKSJQSA-N -1 1 361.833 2.468 20 0 FEADMM O=S(=O)(Cc1ncc(-c2ccc(Br)cc2)o1)c1ncn[n-]1 ZINC000153030291 544724620 /nfs/dbraw/zinc/72/46/20/544724620.db2.gz IUIGXXCJWMOZAN-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM O=S(=O)(Cc1ncc(-c2ccc(Br)cc2)o1)c1nc[n-]n1 ZINC000153030291 544724626 /nfs/dbraw/zinc/72/46/26/544724626.db2.gz IUIGXXCJWMOZAN-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM O=S(=O)(Cc1cc(Br)ccc1OC(F)F)c1ncn[n-]1 ZINC000153044774 544727316 /nfs/dbraw/zinc/72/73/16/544727316.db2.gz WHIRHPZVPYQEQX-UHFFFAOYSA-N -1 1 368.159 2.143 20 0 FEADMM O=S(=O)(Cc1cc(Br)ccc1OC(F)F)c1nc[n-]n1 ZINC000153044774 544727320 /nfs/dbraw/zinc/72/73/20/544727320.db2.gz WHIRHPZVPYQEQX-UHFFFAOYSA-N -1 1 368.159 2.143 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N(CC)c2cccc3ccccc32)n[n-]1 ZINC000153117255 544734513 /nfs/dbraw/zinc/73/45/13/544734513.db2.gz KLHCXQRSNMCAHI-UHFFFAOYSA-N -1 1 372.450 2.347 20 0 FEADMM CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000153728032 544814866 /nfs/dbraw/zinc/81/48/66/544814866.db2.gz MJSHEQVVNCRPJJ-UHFFFAOYSA-N -1 1 354.222 2.296 20 0 FEADMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000154083242 544862019 /nfs/dbraw/zinc/86/20/19/544862019.db2.gz NCNSHUVUNFLPPI-UHFFFAOYSA-N -1 1 374.509 2.149 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H]3[C@@H](O)C(F)(F)F)cnc2n1 ZINC000155005613 544975950 /nfs/dbraw/zinc/97/59/50/544975950.db2.gz YCZCIYTUXVEEID-DGCLKSJQSA-N -1 1 355.316 2.172 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@@H](O)C(F)(F)F)c[n-]c2n1 ZINC000155005613 544975954 /nfs/dbraw/zinc/97/59/54/544975954.db2.gz YCZCIYTUXVEEID-DGCLKSJQSA-N -1 1 355.316 2.172 20 0 FEADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1c([O-])cccc1F ZINC000802887588 674205483 /nfs/dbraw/zinc/20/54/83/674205483.db2.gz NONIIWVGQYCDPV-NSHDSACASA-N -1 1 354.378 2.496 20 0 FEADMM CCOC(=O)c1cc([N-]C(=O)c2cc(C(=O)OC)on2)c(F)cc1C ZINC000552695504 674220591 /nfs/dbraw/zinc/22/05/91/674220591.db2.gz YNDMIVSNTLZEMS-UHFFFAOYSA-N -1 1 350.302 2.338 20 0 FEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179410529 327641619 /nfs/dbraw/zinc/64/16/19/327641619.db2.gz REIUQHJNXSYVHA-NSHDSACASA-N -1 1 366.414 2.273 20 0 FEADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1NS(C)(=O)=O ZINC000181152981 327718059 /nfs/dbraw/zinc/71/80/59/327718059.db2.gz FGOFSRLDDQSUHL-SNVBAGLBSA-N -1 1 352.387 2.394 20 0 FEADMM O=C(NC[C@@H]1COC2(CCCCCC2)O1)c1nc2ccccc2c(=O)[n-]1 ZINC000181465873 327732007 /nfs/dbraw/zinc/73/20/07/327732007.db2.gz GSDHJRNYLJHNBG-CYBMUJFWSA-N -1 1 357.410 2.119 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000182211771 327765877 /nfs/dbraw/zinc/76/58/77/327765877.db2.gz JEYZXVKVYLHMSJ-ZDUSSCGKSA-N -1 1 363.458 2.181 20 0 FEADMM O=S(=O)([N-]C[C@]1(O)CCSC1)c1ccc(Cl)c(F)c1Cl ZINC000188078008 328064570 /nfs/dbraw/zinc/06/45/70/328064570.db2.gz HCKWGQHDIGTKLG-LLVKDONJSA-N -1 1 360.259 2.279 20 0 FEADMM CCc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000190215424 328194758 /nfs/dbraw/zinc/19/47/58/328194758.db2.gz LKZNQCMFYRCGRI-LLVKDONJSA-N -1 1 373.848 2.477 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(C3CCCC3)c2C)co1 ZINC000192730694 328336002 /nfs/dbraw/zinc/33/60/02/328336002.db2.gz QFTMHYIVWFOESI-UHFFFAOYSA-N -1 1 352.416 2.060 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC000193119548 328358659 /nfs/dbraw/zinc/35/86/59/328358659.db2.gz YQMIWLDSUGXQQK-CYBMUJFWSA-N -1 1 373.352 2.339 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000194027110 328407708 /nfs/dbraw/zinc/40/77/08/328407708.db2.gz HXJKGKFUXCBBOC-UHFFFAOYSA-N -1 1 362.741 2.224 20 0 FEADMM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000012141556 324371611 /nfs/dbraw/zinc/37/16/11/324371611.db2.gz ZNRFSYBHMGGZFM-UHFFFAOYSA-N -1 1 352.406 2.301 20 0 FEADMM O=C(N[C@H](CO)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000012031005 324371995 /nfs/dbraw/zinc/37/19/95/324371995.db2.gz YEZMPORLRDNMHR-ZDUSSCGKSA-N -1 1 350.212 2.488 20 0 FEADMM O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccc(F)c1 ZINC000022470787 324398777 /nfs/dbraw/zinc/39/87/77/324398777.db2.gz DMKIXGNQBYYQLU-UHFFFAOYSA-N -1 1 368.368 2.024 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2cnc(C)s2)c(=O)[n-]1 ZINC000046773948 324615083 /nfs/dbraw/zinc/61/50/83/324615083.db2.gz IFCHVZNYJMSYHH-UHFFFAOYSA-N -1 1 352.485 2.156 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000048443660 324664758 /nfs/dbraw/zinc/66/47/58/324664758.db2.gz IHBYOYPOQITNHQ-CBAPKCEASA-N -1 1 370.290 2.377 20 0 FEADMM O=C(NCC[C@@H]1CCOC1)c1cc(I)ccc1[O-] ZINC000230344006 328486878 /nfs/dbraw/zinc/48/68/78/328486878.db2.gz YSQCRYSRCXVJFG-SECBINFHSA-N -1 1 361.179 2.153 20 0 FEADMM C[C@H](Cn1ccnc1)NC(=O)c1ccc(I)c([O-])c1 ZINC000230889029 328487204 /nfs/dbraw/zinc/48/72/04/328487204.db2.gz PFXIJCKZMYXOQU-SECBINFHSA-N -1 1 371.178 2.012 20 0 FEADMM O=C(NCCc1ccc(-n2cccn2)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000079095453 325076209 /nfs/dbraw/zinc/07/62/09/325076209.db2.gz QKJRYJYTJKZWMC-UHFFFAOYSA-N -1 1 359.389 2.081 20 0 FEADMM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000079746988 325103748 /nfs/dbraw/zinc/10/37/48/325103748.db2.gz MADSXWKPDKGGEB-QMMMGPOBSA-N -1 1 357.657 2.201 20 0 FEADMM COC(=O)[C@H](C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000080594128 325136922 /nfs/dbraw/zinc/13/69/22/325136922.db2.gz VEEPUGIVUJXHHD-WBMJQRKESA-N -1 1 365.389 2.203 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2csc(-c3cccc(OC)c3)n2)n[n-]1 ZINC000086170273 325261405 /nfs/dbraw/zinc/26/14/05/325261405.db2.gz IVIRTFQHQNQYOG-UHFFFAOYSA-N -1 1 364.452 2.473 20 0 FEADMM CC(C)n1c(CCNC(=O)C[C@H](O)c2cccc(F)c2)n[n-]c1=S ZINC000091444241 325386458 /nfs/dbraw/zinc/38/64/58/325386458.db2.gz HCQVDPAAPJLXJN-ZDUSSCGKSA-N -1 1 352.435 2.443 20 0 FEADMM C[C@@](NC(=O)c1ccc(Br)cc1[O-])(C(N)=O)c1ccccc1 ZINC000094075143 325452814 /nfs/dbraw/zinc/45/28/14/325452814.db2.gz KOFBDUKUMZXKEZ-INIZCTEOSA-N -1 1 363.211 2.285 20 0 FEADMM O=C(NC[C@@H](O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000104908020 325550048 /nfs/dbraw/zinc/55/00/48/325550048.db2.gz WFRFEWYPTBCIJI-ZDUSSCGKSA-N -1 1 350.212 2.488 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000109953447 325680952 /nfs/dbraw/zinc/68/09/52/325680952.db2.gz HYMVKVIQCOTDMP-UHFFFAOYSA-N -1 1 353.209 2.451 20 0 FEADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C[C@@H](C)O1 ZINC000111025841 325699343 /nfs/dbraw/zinc/69/93/43/325699343.db2.gz SSXSYVVSYCNPGG-CZUORRHYSA-N -1 1 370.453 2.099 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCCN1c1ccccc1 ZINC000114500470 325901221 /nfs/dbraw/zinc/90/12/21/325901221.db2.gz DUQSAGRJUWLQDQ-HNNXBMFYSA-N -1 1 366.389 2.439 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)cc1 ZINC000116601384 326026783 /nfs/dbraw/zinc/02/67/83/326026783.db2.gz MRIURBJTKRKBEU-UHFFFAOYSA-N -1 1 360.483 2.197 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686113 326097212 /nfs/dbraw/zinc/09/72/12/326097212.db2.gz OTRGQAUIJKGSMV-DDTOSNHZSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686113 326097215 /nfs/dbraw/zinc/09/72/15/326097215.db2.gz OTRGQAUIJKGSMV-DDTOSNHZSA-N -1 1 374.832 2.265 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c2=O ZINC000119169638 326133539 /nfs/dbraw/zinc/13/35/39/326133539.db2.gz SIXGCBODYYQVJS-HZPDHXFCSA-N -1 1 370.384 2.463 20 0 FEADMM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119490388 326168372 /nfs/dbraw/zinc/16/83/72/326168372.db2.gz GYAAPMWSRZPRSK-UHFFFAOYSA-N -1 1 350.300 2.363 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000121349019 326331699 /nfs/dbraw/zinc/33/16/99/326331699.db2.gz JPDSZPBVFKCFSB-CQSZACIVSA-N -1 1 356.426 2.064 20 0 FEADMM CCOC(=O)CN1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000123467167 326432646 /nfs/dbraw/zinc/43/26/46/326432646.db2.gz VEJOZNNYFORLMK-UHFFFAOYSA-N -1 1 356.422 2.256 20 0 FEADMM C[C@@H](CO)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000126128654 326483623 /nfs/dbraw/zinc/48/36/23/326483623.db2.gz PYZDPDWEYCUDBD-LBPRGKRZSA-N -1 1 366.414 2.079 20 0 FEADMM Cc1cccc(C)c1CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000129419480 326540207 /nfs/dbraw/zinc/54/02/07/326540207.db2.gz YEYGWNNSJTUYDC-UHFFFAOYSA-N -1 1 352.438 2.158 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccc(C)cc2)co1 ZINC000130359875 326555478 /nfs/dbraw/zinc/55/54/78/326555478.db2.gz UFBGXTOEZFWJAW-UHFFFAOYSA-N -1 1 350.440 2.204 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000131268230 326571343 /nfs/dbraw/zinc/57/13/43/326571343.db2.gz BKIRLPWLBJIXLG-SNVBAGLBSA-N -1 1 360.349 2.217 20 0 FEADMM Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Br)c([O-])c2)no1 ZINC000133122543 326603443 /nfs/dbraw/zinc/60/34/43/326603443.db2.gz BOAYSSMIWXXUPK-UHFFFAOYSA-N -1 1 368.187 2.162 20 0 FEADMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c(F)cccc1CO)C(=O)C2 ZINC000133645421 326612514 /nfs/dbraw/zinc/61/25/14/326612514.db2.gz HZEFQTDVBSHRRS-SJKOYZFVSA-N -1 1 355.431 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3Cl)CC2)co1 ZINC000135443047 326641429 /nfs/dbraw/zinc/64/14/29/326641429.db2.gz NYHUAAUHQIXSMD-UHFFFAOYSA-N -1 1 368.842 2.303 20 0 FEADMM Cc1nc(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)sc1C ZINC000151633602 326687364 /nfs/dbraw/zinc/68/73/64/326687364.db2.gz MXYVGHIZVJJEAH-UHFFFAOYSA-N -1 1 373.482 2.417 20 0 FEADMM COCCC1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCC1 ZINC000151762360 326690451 /nfs/dbraw/zinc/69/04/51/326690451.db2.gz MCGCGPAEEUBYQI-UHFFFAOYSA-N -1 1 353.488 2.056 20 0 FEADMM COc1cc(C(=O)NCC(=O)N2CCc3ccccc32)cc(Cl)c1[O-] ZINC000153723796 326740983 /nfs/dbraw/zinc/74/09/83/326740983.db2.gz WINGZZSVROICHL-UHFFFAOYSA-N -1 1 360.797 2.373 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)co1 ZINC000153786680 326742822 /nfs/dbraw/zinc/74/28/22/326742822.db2.gz VEGRUAPEUVAIKX-CYBMUJFWSA-N -1 1 350.440 2.166 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000155208853 326781287 /nfs/dbraw/zinc/78/12/87/326781287.db2.gz 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C[C@H]1CCN(C(=O)NC[C@@]2(C)CCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805192930 674325381 /nfs/dbraw/zinc/32/53/81/674325381.db2.gz OMQBNSIUDLZDER-JUFZMCDQSA-N -1 1 365.396 2.043 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1C[C@@H]1C(F)F ZINC000555103347 674347680 /nfs/dbraw/zinc/34/76/80/674347680.db2.gz DSJIUOCPVJFZFZ-RCOVLWMOSA-N -1 1 373.208 2.042 20 0 FEADMM O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1cn[n-]n1 ZINC000805608168 674347142 /nfs/dbraw/zinc/34/71/42/674347142.db2.gz ZNZLKTCWKUSKPH-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1C(F)F ZINC000155527286 545538227 /nfs/dbraw/zinc/53/82/27/545538227.db2.gz HHZQKTCMHOPUNW-SNVBAGLBSA-N -1 1 353.377 2.010 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)C(=O)c3ccccc3)[n-][nH]2)c(OC)c1 ZINC000471950493 538562354 /nfs/dbraw/zinc/56/23/54/538562354.db2.gz GOHSMKLJUQOVIW-UHFFFAOYSA-N -1 1 352.350 2.310 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000477380576 561143606 /nfs/dbraw/zinc/14/36/06/561143606.db2.gz YLTKFRRDFKCKJK-TZMCWYRMSA-N -1 1 373.409 2.115 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000477383912 561143645 /nfs/dbraw/zinc/14/36/45/561143645.db2.gz RMSUJSBNGITCAC-NEPJUHHUSA-N -1 1 363.414 2.041 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000477428908 561144708 /nfs/dbraw/zinc/14/47/08/561144708.db2.gz ZMVMDHYEULBXBM-UHFFFAOYSA-N -1 1 373.287 2.067 20 0 FEADMM CCOc1cc(C(=O)N(CCO)Cc2cnn(CC)c2)cc(Cl)c1[O-] ZINC000477439611 561144966 /nfs/dbraw/zinc/14/49/66/561144966.db2.gz PJCKREGHSIDSTR-UHFFFAOYSA-N -1 1 367.833 2.295 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)co1 ZINC000157511790 545750575 /nfs/dbraw/zinc/75/05/75/545750575.db2.gz ODKKENLNDJELJZ-UHFFFAOYSA-N -1 1 362.451 2.283 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000158399258 545856127 /nfs/dbraw/zinc/85/61/27/545856127.db2.gz JUPHOQTYOOLGQF-UHFFFAOYSA-N -1 1 372.494 2.379 20 0 FEADMM CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC000478674355 561172486 /nfs/dbraw/zinc/17/24/86/561172486.db2.gz KLKZUHFSXFAANC-SNVBAGLBSA-N -1 1 365.411 2.498 20 0 FEADMM COC[C@@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000479138727 561182482 /nfs/dbraw/zinc/18/24/82/561182482.db2.gz HQXZUKABCKSGFD-CYBMUJFWSA-N -1 1 363.361 2.118 20 0 FEADMM Cc1noc([N-]C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000175831913 546358371 /nfs/dbraw/zinc/35/83/71/546358371.db2.gz PATBWZSANWKKJO-UHFFFAOYSA-N -1 1 372.834 2.361 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000176187308 546417505 /nfs/dbraw/zinc/41/75/05/546417505.db2.gz AQOWFANTHLXLEJ-UHFFFAOYSA-N -1 1 356.382 2.073 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 ZINC000176497509 546454121 /nfs/dbraw/zinc/45/41/21/546454121.db2.gz FAHCGRFQCYXXJN-HNNXBMFYSA-N -1 1 372.446 2.255 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1nn[n-]n1 ZINC000176752513 546484428 /nfs/dbraw/zinc/48/44/28/546484428.db2.gz JVAMNVDLCMNFHV-CABZTGNLSA-N -1 1 368.235 2.387 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2cc(F)ccc2F)c(=O)[n-]1 ZINC000177096927 546544084 /nfs/dbraw/zinc/54/40/84/546544084.db2.gz UPNAHUZKECVTPY-UHFFFAOYSA-N -1 1 367.421 2.370 20 0 FEADMM CC1(O)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000177762948 546682051 /nfs/dbraw/zinc/68/20/51/546682051.db2.gz SCEPOIUDSANUST-UHFFFAOYSA-N -1 1 374.462 2.474 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@](C)(CC)OC)c2)n1 ZINC000481156830 561226612 /nfs/dbraw/zinc/22/66/12/561226612.db2.gz NZKJFPPNYUFNFS-GOSISDBHSA-N -1 1 360.414 2.080 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N(C)c2c(F)cccc2F)ccc1[O-] ZINC000178167964 546750957 /nfs/dbraw/zinc/75/09/57/546750957.db2.gz QCLHWVOTKLIKEN-UHFFFAOYSA-N -1 1 356.350 2.454 20 0 FEADMM O=S(=O)(NCCNCc1cnc(-c2ccccc2)[nH]1)c1cccs1 ZINC000179087842 546897174 /nfs/dbraw/zinc/89/71/74/546897174.db2.gz VLSPETCMAQKSNC-UHFFFAOYSA-N -1 1 362.480 2.206 20 0 FEADMM O=C(NCc1ccc(=O)[nH]c1)c1cc(I)ccc1[O-] ZINC000179506572 546968550 /nfs/dbraw/zinc/96/85/50/546968550.db2.gz DOVBAQXWGGXPDF-UHFFFAOYSA-N -1 1 370.146 2.027 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)C12CCCC2 ZINC000179514007 546969384 /nfs/dbraw/zinc/96/93/84/546969384.db2.gz VSNMYDZKZDOMAX-GJZGRUSLSA-N -1 1 358.442 2.484 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)c2=O ZINC000179526835 546971114 /nfs/dbraw/zinc/97/11/14/546971114.db2.gz GMZKZJBLOFXTDH-RHSMWYFYSA-N -1 1 366.421 2.402 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(-n3ncn(C)c3=O)cc2)c1 ZINC000179878565 547023671 /nfs/dbraw/zinc/02/36/71/547023671.db2.gz OCWHZDLOWLKHCP-UHFFFAOYSA-N -1 1 372.450 2.495 20 0 FEADMM Cc1cnn(-c2ccc(C(N)=O)cc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000180117787 547054678 /nfs/dbraw/zinc/05/46/78/547054678.db2.gz IYZWSFJPXLIBSD-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM Cc1cc(C)c(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000180167314 547061543 /nfs/dbraw/zinc/06/15/43/547061543.db2.gz KGNBIFLAJRFOQT-UHFFFAOYSA-N -1 1 352.438 2.424 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(Cc2ccon2)CC1 ZINC000180604958 547139893 /nfs/dbraw/zinc/13/98/93/547139893.db2.gz YTHOMHYDDBZOEL-UHFFFAOYSA-N -1 1 355.316 2.357 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cn1 ZINC000181055004 547239917 /nfs/dbraw/zinc/23/99/17/547239917.db2.gz QNODMKAVJLHQBU-UHFFFAOYSA-N -1 1 358.217 2.439 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)OCC)c2)[nH]n1 ZINC000181062561 547241192 /nfs/dbraw/zinc/24/11/92/547241192.db2.gz QXKKTXCMTNAGGR-UHFFFAOYSA-N -1 1 355.391 2.479 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1)c2=O ZINC000181902713 547401517 /nfs/dbraw/zinc/40/15/17/547401517.db2.gz HCOVKEVPVNNTEW-HZPDHXFCSA-N -1 1 352.394 2.324 20 0 FEADMM Cc1nc(COc2cccc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2)cs1 ZINC000183410689 547653067 /nfs/dbraw/zinc/65/30/67/547653067.db2.gz ZMHXBEWLPHUUKW-NSHDSACASA-N -1 1 372.454 2.419 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ncc(-c2ccccc2)s1 ZINC000484422288 561297590 /nfs/dbraw/zinc/29/75/90/561297590.db2.gz AYVXQNGNNNKRLQ-UHFFFAOYSA-N -1 1 354.391 2.279 20 0 FEADMM Cc1ccccc1-n1nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c2c1CCC2 ZINC000183435807 547659320 /nfs/dbraw/zinc/65/93/20/547659320.db2.gz NDBBZTLTERCFDP-CYBMUJFWSA-N -1 1 365.441 2.058 20 0 FEADMM C[C@H](CN(C)C(=O)C=Cc1cc(Br)cs1)c1nn[n-]n1 ZINC000183437445 547659428 /nfs/dbraw/zinc/65/94/28/547659428.db2.gz AIKWAFFYNSQRBU-MPJRPATESA-N -1 1 356.249 2.299 20 0 FEADMM CC(C)c1nnc(CNC(=O)c2cc(Br)ccc2[O-])n1C ZINC000183486494 547669050 /nfs/dbraw/zinc/66/90/50/547669050.db2.gz XUFIONSNDNZXBQ-UHFFFAOYSA-N -1 1 353.220 2.337 20 0 FEADMM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC1(N2CCSCC2)CCCC1 ZINC000184198994 547785763 /nfs/dbraw/zinc/78/57/63/547785763.db2.gz CDPLREOHKFINSY-NSHDSACASA-N -1 1 360.467 2.218 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)c1cnc2ccccc2n1 ZINC000484895619 561308075 /nfs/dbraw/zinc/30/80/75/561308075.db2.gz PGYKJVZCMYFBIB-UHFFFAOYSA-N -1 1 362.393 2.200 20 0 FEADMM CCCN(CCc1cccs1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000184376483 547816035 /nfs/dbraw/zinc/81/60/35/547816035.db2.gz CGUHSJGSMJWCDI-UHFFFAOYSA-N -1 1 356.469 2.344 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC000184807337 547881432 /nfs/dbraw/zinc/88/14/32/547881432.db2.gz GONIJDKHYHQTDL-UHFFFAOYSA-N -1 1 351.819 2.180 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000185059419 547925808 /nfs/dbraw/zinc/92/58/08/547925808.db2.gz HIBTXEBMFBSBKY-CABCVRRESA-N -1 1 366.483 2.365 20 0 FEADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000185419634 547982488 /nfs/dbraw/zinc/98/24/88/547982488.db2.gz XPVUIFNWRLBPOJ-OAHLLOKOSA-N -1 1 352.387 2.060 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl ZINC000185477930 547989679 /nfs/dbraw/zinc/98/96/79/547989679.db2.gz QGKMEXUOIPTUPW-LLVKDONJSA-N -1 1 370.837 2.216 20 0 FEADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nc(S(C)(=O)=O)ncc1C ZINC000485728342 561326895 /nfs/dbraw/zinc/32/68/95/561326895.db2.gz FAYPCUDIUFNWRS-UHFFFAOYSA-N -1 1 372.406 2.404 20 0 FEADMM Cc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1OCC(F)F ZINC000485871419 561330608 /nfs/dbraw/zinc/33/06/08/561330608.db2.gz PYSSBIDGNRPGNI-UHFFFAOYSA-N -1 1 365.336 2.108 20 0 FEADMM CCOc1cc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000186863309 548207584 /nfs/dbraw/zinc/20/75/84/548207584.db2.gz AXKWWLKQRCZUOM-CHWSQXEVSA-N -1 1 352.818 2.328 20 0 FEADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000486018485 561335384 /nfs/dbraw/zinc/33/53/84/561335384.db2.gz PPVMKHOOLQZUJL-UHFFFAOYSA-N -1 1 361.288 2.099 20 0 FEADMM O=c1cc(/C=C\c2cn(-c3cccc(Cl)c3Cl)nn2)nc2nc[n-]n21 ZINC000486122401 561338535 /nfs/dbraw/zinc/33/85/35/561338535.db2.gz KBNRPXLATFWICB-PLNGDYQASA-N -1 1 374.191 2.476 20 0 FEADMM O=c1cc(/C=C/c2csc(-c3ccc4c(c3)OCO4)n2)nc2nc[n-]n21 ZINC000486124856 561338634 /nfs/dbraw/zinc/33/86/34/561338634.db2.gz PNEWOTRQRSYCTD-NSCUHMNNSA-N -1 1 365.374 2.440 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COc1cc(F)cc(F)c1 ZINC000486832600 561357740 /nfs/dbraw/zinc/35/77/40/561357740.db2.gz HPZJOOUEZFQVDR-UHFFFAOYSA-N -1 1 374.340 2.493 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2Cl)[n-]1 ZINC000195165928 548588481 /nfs/dbraw/zinc/58/84/81/548588481.db2.gz NAQJQIGBWRALMD-UHFFFAOYSA-N -1 1 374.825 2.307 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2ccc(F)cc2Cl)n1 ZINC000195165928 548588484 /nfs/dbraw/zinc/58/84/84/548588484.db2.gz NAQJQIGBWRALMD-UHFFFAOYSA-N -1 1 374.825 2.307 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2Cl)n[n-]1 ZINC000195165928 548588488 /nfs/dbraw/zinc/58/84/88/548588488.db2.gz NAQJQIGBWRALMD-UHFFFAOYSA-N -1 1 374.825 2.307 20 0 FEADMM CN1CCC[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)[C@@H]1c1cccs1 ZINC000195301559 548617295 /nfs/dbraw/zinc/61/72/95/548617295.db2.gz KABQHLGNMKHBAP-ZYHUDNBSSA-N -1 1 371.450 2.117 20 0 FEADMM CC(C)(CC(N)=O)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487142450 561364772 /nfs/dbraw/zinc/36/47/72/561364772.db2.gz UKANXXVGFUPHIS-UHFFFAOYSA-N -1 1 366.215 2.087 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc2n(C)c1=O ZINC000195450771 548641891 /nfs/dbraw/zinc/64/18/91/548641891.db2.gz APMSDOCOGZRUQK-UHFFFAOYSA-N -1 1 373.434 2.003 20 0 FEADMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000195475464 548647185 /nfs/dbraw/zinc/64/71/85/548647185.db2.gz LSXHHVDAGWWIFA-LDWIPMOCSA-N -1 1 371.673 2.450 20 0 FEADMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000487079689 561363075 /nfs/dbraw/zinc/36/30/75/561363075.db2.gz CREQSMVJKRYTSK-ZDUSSCGKSA-N -1 1 370.254 2.240 20 0 FEADMM CC[C@H](CCO)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230901173 548762723 /nfs/dbraw/zinc/76/27/23/548762723.db2.gz AODJQUGPZOSDMM-SECBINFHSA-N -1 1 363.195 2.135 20 0 FEADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000238108426 548878405 /nfs/dbraw/zinc/87/84/05/548878405.db2.gz LMTRWKOIWATUJT-CQSZACIVSA-N -1 1 361.373 2.312 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000248882421 549520746 /nfs/dbraw/zinc/52/07/46/549520746.db2.gz PDGPRGPCWUTEGD-YPMHNXCESA-N -1 1 372.462 2.231 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)n[nH]2)cc1 ZINC000262043939 549783046 /nfs/dbraw/zinc/78/30/46/549783046.db2.gz ASZGRKPRJXHKKL-AWEZNQCLSA-N -1 1 355.394 2.412 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(C(=O)C2CCC2)cc1 ZINC000490307606 561430673 /nfs/dbraw/zinc/43/06/73/561430673.db2.gz PKNNLLDEEPBYDU-UHFFFAOYSA-N -1 1 353.378 2.139 20 0 FEADMM CCC[C@H](NCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000262315027 549810030 /nfs/dbraw/zinc/81/00/30/549810030.db2.gz UEEGNBGZWYJMDE-JSGCOSHPSA-N -1 1 352.431 2.032 20 0 FEADMM CN(CCCNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000263119753 549879313 /nfs/dbraw/zinc/87/93/13/549879313.db2.gz LXBJPZYBDQHZDM-QGZVFWFLSA-N -1 1 361.486 2.206 20 0 FEADMM COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CC(=O)NCC(=O)[O-])c1 ZINC000263565437 549909072 /nfs/dbraw/zinc/90/90/72/549909072.db2.gz FMZBNRPNXQYSFF-WIYYLYMNSA-N -1 1 368.433 2.427 20 0 FEADMM C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000263571881 549909717 /nfs/dbraw/zinc/90/97/17/549909717.db2.gz KAPBGMYAIGPAJF-JIMOISOXSA-N -1 1 362.323 2.135 20 0 FEADMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000263944994 549958839 /nfs/dbraw/zinc/95/88/39/549958839.db2.gz BJCLTRWTRRVLEB-CQSZACIVSA-N -1 1 362.451 2.089 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](O)C3CC3)cc2)cc1 ZINC000268384380 550057307 /nfs/dbraw/zinc/05/73/07/550057307.db2.gz JTSXDCDYHCWABW-GOSISDBHSA-N -1 1 374.462 2.297 20 0 FEADMM O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1nc(SCCO)n[nH]1 ZINC000268768536 550114137 /nfs/dbraw/zinc/11/41/37/550114137.db2.gz XPACRRJSUQFCKX-UHFFFAOYSA-N -1 1 374.466 2.370 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000269759814 550223247 /nfs/dbraw/zinc/22/32/47/550223247.db2.gz BWSAARGSQBFBBN-NSHDSACASA-N -1 1 369.468 2.046 20 0 FEADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000270121590 550250290 /nfs/dbraw/zinc/25/02/90/550250290.db2.gz VPOAJWWUQMTELH-AWEZNQCLSA-N -1 1 364.423 2.004 20 0 FEADMM CCOc1ccc(OCC)c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000270156319 550252905 /nfs/dbraw/zinc/25/29/05/550252905.db2.gz XKVSWZJMMLNCCC-UHFFFAOYSA-N -1 1 368.411 2.237 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)cc2=O)cc1 ZINC000270717895 550300124 /nfs/dbraw/zinc/30/01/24/550300124.db2.gz HNCNBDCBZKJVDN-GFCCVEGCSA-N -1 1 354.414 2.207 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)c(=O)[n-]1 ZINC000271334471 550365969 /nfs/dbraw/zinc/36/59/69/550365969.db2.gz GBRIPWCMIZCKAT-OCCSQVGLSA-N -1 1 353.488 2.465 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2([C@@H](O)C(C)C)CC2)c(=O)[n-]1 ZINC000271926221 550411679 /nfs/dbraw/zinc/41/16/79/550411679.db2.gz ULKGVHXMKFQBMJ-AWEZNQCLSA-N -1 1 353.488 2.058 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCO[C@H](C)C2)c1 ZINC000272119165 550423609 /nfs/dbraw/zinc/42/36/09/550423609.db2.gz SPEQFAGYULCCDY-OLZOCXBDSA-N -1 1 370.471 2.176 20 0 FEADMM COCC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccco1 ZINC000272452189 550449221 /nfs/dbraw/zinc/44/92/21/550449221.db2.gz SUHRAULCYJSSRI-JTQLQIEISA-N -1 1 359.425 2.184 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000273975827 550517568 /nfs/dbraw/zinc/51/75/68/550517568.db2.gz SLWVBFCULADONZ-VHSXEESVSA-N -1 1 363.863 2.338 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)[n-]1 ZINC000274913868 550564436 /nfs/dbraw/zinc/56/44/36/550564436.db2.gz LIIVKHDYNZCGAT-PWSUYJOCSA-N -1 1 361.423 2.317 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000274913868 550564438 /nfs/dbraw/zinc/56/44/38/550564438.db2.gz LIIVKHDYNZCGAT-PWSUYJOCSA-N -1 1 361.423 2.317 20 0 FEADMM O=C(CCOCC(F)(F)C(F)(F)F)Nc1nc(-c2ccccn2)n[nH]1 ZINC000276903198 550609025 /nfs/dbraw/zinc/60/90/25/550609025.db2.gz VBKCHZSJAWLMRA-UHFFFAOYSA-N -1 1 365.262 2.410 20 0 FEADMM O=C(Nc1cnn(CCN2CCOCC2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000277001261 550620353 /nfs/dbraw/zinc/62/03/53/550620353.db2.gz UJQCCZAIEPKHCC-UHFFFAOYSA-N -1 1 365.821 2.218 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccccc1Br)c1cncc([O-])c1 ZINC000277350987 550659641 /nfs/dbraw/zinc/65/96/41/550659641.db2.gz UBKUKTQZIOCJSV-LLVKDONJSA-N -1 1 365.227 2.131 20 0 FEADMM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ncc(C)cc2[O-])cc1 ZINC000494886093 561478556 /nfs/dbraw/zinc/47/85/56/561478556.db2.gz MBUOPIAZABALKK-QGZVFWFLSA-N -1 1 355.438 2.207 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)n1 ZINC000277794017 550714813 /nfs/dbraw/zinc/71/48/13/550714813.db2.gz SVEGCSKFZYXNKB-UHFFFAOYSA-N -1 1 372.425 2.318 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C)CC1 ZINC000277906238 550727589 /nfs/dbraw/zinc/72/75/89/550727589.db2.gz RPOWQOOCGZERJG-GFCCVEGCSA-N -1 1 358.467 2.449 20 0 FEADMM C[C@@]1(C2CC2)NC(=O)N(Cc2nc(-c3ccc([O-])cc3Cl)no2)C1=O ZINC000278170841 550756840 /nfs/dbraw/zinc/75/68/40/550756840.db2.gz NNOBKTDROMUQOQ-INIZCTEOSA-N -1 1 362.773 2.316 20 0 FEADMM NC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc21 ZINC000278563872 550799665 /nfs/dbraw/zinc/79/96/65/550799665.db2.gz QDGXVJYKKOOPTK-UHFFFAOYSA-N -1 1 357.435 2.417 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)n1 ZINC000278836062 550827412 /nfs/dbraw/zinc/82/74/12/550827412.db2.gz ZIOPZUXIVNPFRE-UHFFFAOYSA-N -1 1 366.443 2.231 20 0 FEADMM C[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000278862052 550830156 /nfs/dbraw/zinc/83/01/56/550830156.db2.gz XVCFRDNCEJNJPT-SSDOTTSWSA-N -1 1 358.204 2.167 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)CC(=O)N3C)c(=O)[n-]1 ZINC000278928281 550836926 /nfs/dbraw/zinc/83/69/26/550836926.db2.gz JQGFORBELKVERJ-UHFFFAOYSA-N -1 1 372.450 2.303 20 0 FEADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1nnc2n1CCC2 ZINC000495257076 561485662 /nfs/dbraw/zinc/48/56/62/561485662.db2.gz QBEXHVPUMPSWJI-QMMMGPOBSA-N -1 1 351.204 2.183 20 0 FEADMM C[C@@H]1OCC[C@]12CN(C(=O)c1cc(Br)ccc1[O-])CCO2 ZINC000279352683 550880596 /nfs/dbraw/zinc/88/05/96/550880596.db2.gz GHAOBFKQLKTDOJ-BONVTDFDSA-N -1 1 356.216 2.175 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCSC1 ZINC000279743792 550924140 /nfs/dbraw/zinc/92/41/40/550924140.db2.gz KLAHTQWVALCKNX-CYBMUJFWSA-N -1 1 358.467 2.355 20 0 FEADMM O=C(Nc1ccccc1)NC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000280854640 551039323 /nfs/dbraw/zinc/03/93/23/551039323.db2.gz WNTICXNOAIXVGE-UHFFFAOYSA-N -1 1 367.405 2.388 20 0 FEADMM O=C(Oc1ccccc1)N1CCCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000280974250 551050799 /nfs/dbraw/zinc/05/07/99/551050799.db2.gz ORMPRQRORYSSIP-UHFFFAOYSA-N -1 1 368.389 2.308 20 0 FEADMM CCc1ccsc1C(=O)[N-]N1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000281203503 551073555 /nfs/dbraw/zinc/07/35/55/551073555.db2.gz PYEDWPRDHHAJIU-SFHVURJKSA-N -1 1 373.434 2.431 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)CCN1CC(C)(C)O ZINC000281458772 551099872 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O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282826690 551275050 /nfs/dbraw/zinc/27/50/50/551275050.db2.gz CWSWNHBGBIRDKL-NSHDSACASA-N -1 1 373.800 2.426 20 0 FEADMM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000283524932 551381779 /nfs/dbraw/zinc/38/17/79/551381779.db2.gz GGZDROSJOHQEAD-LLVKDONJSA-N -1 1 368.842 2.243 20 0 FEADMM O=C(N[C@@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1[O-] ZINC000283573416 551390181 /nfs/dbraw/zinc/39/01/81/551390181.db2.gz JAXZEURKWMSNSA-GFCCVEGCSA-N -1 1 353.216 2.086 20 0 FEADMM C[C@H]1COCCN1c1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000283700508 551412236 /nfs/dbraw/zinc/41/22/36/551412236.db2.gz IHVAKSOFBCULMP-LBPRGKRZSA-N -1 1 369.450 2.495 20 0 FEADMM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2n[nH]c(-c3ccco3)n2)cn1 ZINC000284085179 551481034 /nfs/dbraw/zinc/48/10/34/551481034.db2.gz SIBTWUAWEBVVMZ-UHFFFAOYSA-N -1 1 356.342 2.062 20 0 FEADMM O=C([O-])C1(NCc2ncc(Br)cc2Br)CC1 ZINC000284287665 551515427 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CCCCOc1ncccc1CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000286982313 551947591 /nfs/dbraw/zinc/94/75/91/551947591.db2.gz ACYYAZZCMWGJTP-HAHDFKILSA-N -1 1 354.414 2.237 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc[nH]c3C3CC3)CC2)n1 ZINC000287032363 551954202 /nfs/dbraw/zinc/95/42/02/551954202.db2.gz KLJSUXVLWLEXQG-UHFFFAOYSA-N -1 1 357.414 2.207 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)ccnc1-2 ZINC000287045143 551955868 /nfs/dbraw/zinc/95/58/68/551955868.db2.gz DKULJVIVPNZJGX-BDXTUDPHSA-N -1 1 368.416 2.129 20 0 FEADMM C[C@H]1[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000287297000 551986566 /nfs/dbraw/zinc/98/65/66/551986566.db2.gz SQIKRIDPFPEIGB-KSSFIOAISA-N -1 1 374.462 2.326 20 0 FEADMM CC(C)CC[C@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(C)(C)C ZINC000287428982 552003021 /nfs/dbraw/zinc/00/30/21/552003021.db2.gz BKEKFDXNOQFRAB-HSMAQGNYSA-N -1 1 359.474 2.247 20 0 FEADMM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C(=O)c1ccc([O-])cc1 ZINC000287486153 552010335 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FEADMM CC[C@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)Oc1cccc(F)c1 ZINC000287662309 552031480 /nfs/dbraw/zinc/03/14/80/552031480.db2.gz PSVCUWZEYWEIFF-OETDOYICSA-N -1 1 357.389 2.460 20 0 FEADMM CC[C@@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)Oc1cccc(F)c1 ZINC000287662313 552031514 /nfs/dbraw/zinc/03/15/14/552031514.db2.gz PSVCUWZEYWEIFF-SXNXEAAASA-N -1 1 357.389 2.460 20 0 FEADMM C[C@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccc2c(c1)CCC(=O)N2 ZINC000287685437 552034160 /nfs/dbraw/zinc/03/41/60/552034160.db2.gz QXPXDDVRWPRVJT-MXVDJPPUSA-N -1 1 364.409 2.109 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(C(OC)OC)o2)s1 ZINC000287801544 552048270 /nfs/dbraw/zinc/04/82/70/552048270.db2.gz WMTFLNPGGUUJHO-UHFFFAOYSA-N -1 1 369.399 2.171 20 0 FEADMM C[C@H]1CCN(C(=O)CCc2ccc(=O)[nH]c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288135110 552097579 /nfs/dbraw/zinc/09/75/79/552097579.db2.gz KEBLRLJBRSRZSN-PGUXBMHVSA-N -1 1 373.375 2.024 20 0 FEADMM Cc1[nH]c(=O)ccc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C 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CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2nc(C)oc2C)c1 ZINC000294485946 552909932 /nfs/dbraw/zinc/90/99/32/552909932.db2.gz IQFJJSLVAKTMLO-UHFFFAOYSA-N -1 1 367.427 2.280 20 0 FEADMM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000295083870 552957379 /nfs/dbraw/zinc/95/73/79/552957379.db2.gz BHASEUDBKIRFHL-QGZVFWFLSA-N -1 1 362.455 2.069 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)cn1 ZINC000295167599 552965575 /nfs/dbraw/zinc/96/55/75/552965575.db2.gz FTSVQKVRESBMED-UHFFFAOYSA-N -1 1 361.423 2.406 20 0 FEADMM O=C(N[C@H]1CC[C@@H](CO)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000295389413 552998794 /nfs/dbraw/zinc/99/87/94/552998794.db2.gz FXDDAVGQRKTRBK-PBHICJAKSA-N -1 1 374.462 2.378 20 0 FEADMM O=c1[n-]nc([C@@H]2CCCN(C[C@@H](O)c3ccccc3C(F)(F)F)C2)o1 ZINC000295415218 553002914 /nfs/dbraw/zinc/00/29/14/553002914.db2.gz SZQUAZHQUHFEIB-ZWNOBZJWSA-N -1 1 357.332 2.295 20 0 FEADMM COC[C@]1(C(=O)OC)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000295482062 553014309 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CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000298563098 553440999 /nfs/dbraw/zinc/44/09/99/553440999.db2.gz GOKZFBQUPZPNTR-UHFFFAOYSA-N -1 1 359.283 2.006 20 0 FEADMM O=C(c1coc(-c2ccccc2Cl)n1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298827944 553478434 /nfs/dbraw/zinc/47/84/34/553478434.db2.gz BXOBIIVEPMXMRQ-JTQLQIEISA-N -1 1 373.800 2.426 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)CCC(=O)OC)c(C(F)(F)F)c1 ZINC000299237351 553534927 /nfs/dbraw/zinc/53/49/27/553534927.db2.gz KNMQZATTYQVBOJ-UHFFFAOYSA-N -1 1 355.334 2.409 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000602300155 553559637 /nfs/dbraw/zinc/55/96/37/553559637.db2.gz MWLKVJHSVNOSGR-MRVPVSSYSA-N -1 1 359.308 2.012 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000299582457 553584474 /nfs/dbraw/zinc/58/44/74/553584474.db2.gz DCSYSVVUULDSKI-SNVBAGLBSA-N -1 1 356.263 2.131 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)ccc1OC ZINC000504230444 561654778 /nfs/dbraw/zinc/65/47/78/561654778.db2.gz RMVAHTATQORRLJ-UHFFFAOYSA-N -1 1 355.343 2.127 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCOC1CCCCC1 ZINC000299632434 553592046 /nfs/dbraw/zinc/59/20/46/553592046.db2.gz GWOAPLJNEYTENZ-UHFFFAOYSA-N -1 1 360.458 2.450 20 0 FEADMM O=C(Nc1cccc(Cl)c1)c1ccc(NCCCc2nc(=O)[n-][nH]2)nc1 ZINC000301533018 553658370 /nfs/dbraw/zinc/65/83/70/553658370.db2.gz KUSIINKYDYNTID-UHFFFAOYSA-N -1 1 372.816 2.443 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NCC2(CO)CC2)nc1 ZINC000301547696 553659849 /nfs/dbraw/zinc/65/98/49/553659849.db2.gz FBKHCEVIERBTOT-UHFFFAOYSA-N -1 1 369.393 2.345 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(C)c2)cc1OC ZINC000504961961 561664651 /nfs/dbraw/zinc/66/46/51/561664651.db2.gz LKTAZGGUCGWATK-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM C[N@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000310677842 553753712 /nfs/dbraw/zinc/75/37/12/553753712.db2.gz QMOPDLZICCCYLT-QMMMGPOBSA-N -1 1 353.669 2.085 20 0 FEADMM CCN(C(=O)c1ccc(I)c([O-])c1)[C@@H]1CCOC1 ZINC000310946206 553754033 /nfs/dbraw/zinc/75/40/33/553754033.db2.gz XUIXGTCQVJKAFF-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM CC[C@@H](NC(=O)c1cc(I)ccc1[O-])[C@@H](O)CC ZINC000313090429 553756498 /nfs/dbraw/zinc/75/64/98/553756498.db2.gz AFSSRVFWOHZVIJ-MNOVXSKESA-N -1 1 363.195 2.276 20 0 FEADMM COC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000320750079 553765973 /nfs/dbraw/zinc/76/59/73/553765973.db2.gz QNLGMSOAEOGHSG-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000321459407 553766964 /nfs/dbraw/zinc/76/69/64/553766964.db2.gz YNPXEFBETSUMON-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM C[C@@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000322338146 553768508 /nfs/dbraw/zinc/76/85/08/553768508.db2.gz FTJHYDYVCIINOD-SMDDNHRTSA-N -1 1 351.346 2.416 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(OC)c1 ZINC000324147561 553771088 /nfs/dbraw/zinc/77/10/88/553771088.db2.gz APRJCPJIIAGNHI-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000327709569 553790890 /nfs/dbraw/zinc/79/08/90/553790890.db2.gz ZCYWQFHIWGNPJX-UHFFFAOYSA-N -1 1 365.407 2.169 20 0 FEADMM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=NC2CC2)[n-]1 ZINC000328685489 553807231 /nfs/dbraw/zinc/80/72/31/553807231.db2.gz FRFCIXIDQSZBMQ-QXMXGUDHSA-N -1 1 357.483 3.002 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cn1 ZINC000506705258 561706570 /nfs/dbraw/zinc/70/65/70/561706570.db2.gz BDSOPTGXZBDTEA-UHFFFAOYSA-N -1 1 364.427 2.421 20 0 FEADMM O=C(NCc1nc(-c2ccc(Br)o2)no1)c1ncccc1[O-] ZINC000506830183 561709672 /nfs/dbraw/zinc/70/96/72/561709672.db2.gz KVCJPSIIRNJNSN-UHFFFAOYSA-N -1 1 365.143 2.123 20 0 FEADMM O=C(CN1CCN(Cc2cccc([O-])c2Cl)CC1)NCc1ccccc1 ZINC000507080621 561716933 /nfs/dbraw/zinc/71/69/33/561716933.db2.gz CBTBDUJDTCXKKB-UHFFFAOYSA-N -1 1 373.884 2.480 20 0 FEADMM Cc1ccc(Nc2cccc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2)nn1 ZINC000605530922 553996874 /nfs/dbraw/zinc/99/68/74/553996874.db2.gz CTQBFAJMPQUVHX-UHFFFAOYSA-N -1 1 364.413 2.241 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]3COCC[C@@H]32)c(=O)[n-]1 ZINC000329775864 554003379 /nfs/dbraw/zinc/00/33/79/554003379.db2.gz NLMDDJOGFGZGCR-OCCSQVGLSA-N -1 1 351.472 2.173 20 0 FEADMM N=c1nc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)s[n-]1 ZINC000329856594 554019535 /nfs/dbraw/zinc/01/95/35/554019535.db2.gz YHWJJCXUNSJWBX-UHFFFAOYSA-N -1 1 361.515 2.375 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000507649774 561736542 /nfs/dbraw/zinc/73/65/42/561736542.db2.gz MNPQWVQZQFMOOB-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C(Cn1cc(NC(=O)c2csc(=NC3CC3)[n-]2)cn1)NC1CCCC1 ZINC000607055155 554117257 /nfs/dbraw/zinc/11/72/57/554117257.db2.gz HOMQFYNWJZNPDZ-UHFFFAOYSA-N -1 1 374.470 2.225 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000330527061 554133643 /nfs/dbraw/zinc/13/36/43/554133643.db2.gz WWVIJOZFOVPUHW-WDEREUQCSA-N -1 1 354.428 2.011 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc23)C(F)(F)F)cn1 ZINC000508124355 561752605 /nfs/dbraw/zinc/75/26/05/561752605.db2.gz GAQAIXBHRMZXPG-ZDUSSCGKSA-N -1 1 358.345 2.483 20 0 FEADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1 ZINC000508232761 561756114 /nfs/dbraw/zinc/75/61/14/561756114.db2.gz AHQUXFMBPDXEQI-UHFFFAOYSA-N -1 1 366.443 2.288 20 0 FEADMM Cc1ccc(C[C@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000508370136 561760234 /nfs/dbraw/zinc/76/02/34/561760234.db2.gz UKBGQBBZKLNGGP-MRXNPFEDSA-N -1 1 353.422 2.059 20 0 FEADMM COc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)cc(Cl)c1[O-] ZINC000331260955 554237962 /nfs/dbraw/zinc/23/79/62/554237962.db2.gz BUMSUNKZTPDZIL-LLVKDONJSA-N -1 1 354.834 2.383 20 0 FEADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CCN1c1nccn2cnnc12 ZINC000509008601 561781237 /nfs/dbraw/zinc/78/12/37/561781237.db2.gz NNFVDPXYMLZKET-LBPRGKRZSA-N -1 1 358.833 2.194 20 0 FEADMM COc1cc(C(=O)N2CCO[C@H](C)[C@H]2c2nc(C)no2)cc(Cl)c1[O-] ZINC000331841809 554328286 /nfs/dbraw/zinc/32/82/86/554328286.db2.gz BPFWLRKKTSCBAK-OQPBUACISA-N -1 1 367.789 2.348 20 0 FEADMM COc1cc([N-]S(=O)(=O)C[C@H](C)OC)cc(OC)c1Br ZINC000509390477 561797331 /nfs/dbraw/zinc/79/73/31/561797331.db2.gz IFOWXQBJFPEAAE-QMMMGPOBSA-N -1 1 368.249 2.243 20 0 FEADMM CC[C@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000331905925 554343841 /nfs/dbraw/zinc/34/38/41/554343841.db2.gz XBPSKPLFWYXZAD-HIFRSBDPSA-N -1 1 362.474 2.049 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)[C@H](C)CO ZINC000509435803 561799804 /nfs/dbraw/zinc/79/98/04/561799804.db2.gz IYGKSOVEGOVYDP-HTQZYQBOSA-N -1 1 370.254 2.075 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2SC)o1 ZINC000509578936 561805984 /nfs/dbraw/zinc/80/59/84/561805984.db2.gz KGJSOOMEERAMLT-UHFFFAOYSA-N -1 1 359.400 2.406 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)c[nH]1 ZINC000509605096 561807033 /nfs/dbraw/zinc/80/70/33/561807033.db2.gz VBURKYSBTCLRJW-UHFFFAOYSA-N -1 1 373.394 2.176 20 0 FEADMM CO[C@H](C)c1nc(=NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)s[n-]1 ZINC000509627591 561807841 /nfs/dbraw/zinc/80/78/41/561807841.db2.gz ZPCMSYFXVKJNJP-IEBDPFPHSA-N -1 1 351.432 2.260 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)cc1 ZINC000509647053 561808655 /nfs/dbraw/zinc/80/86/55/561808655.db2.gz UEWCOLSQDCWOET-UHFFFAOYSA-N -1 1 370.434 2.334 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)CCOc2ccc(F)cc2)c(O)c1 ZINC000531045822 562433006 /nfs/dbraw/zinc/43/30/06/562433006.db2.gz BAWNYWANXPLLOK-UHFFFAOYSA-N -1 1 355.343 2.050 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)n1 ZINC000510015249 561821953 /nfs/dbraw/zinc/82/19/53/561821953.db2.gz RMVJWABHVPVUGE-UHFFFAOYSA-N -1 1 372.425 2.453 20 0 FEADMM Cc1cnc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c([O-])c1 ZINC000332388331 554437415 /nfs/dbraw/zinc/43/74/15/554437415.db2.gz QNROSJRHKJMOFB-UHFFFAOYSA-N -1 1 355.442 2.280 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000332406690 554440871 /nfs/dbraw/zinc/44/08/71/554440871.db2.gz YEHVQABIPWXHQX-UHFFFAOYSA-N -1 1 368.437 2.277 20 0 FEADMM CC(=O)N[C@@H](C)C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000332505166 554458315 /nfs/dbraw/zinc/45/83/15/554458315.db2.gz HVOOZWUNNAHWSW-LBPRGKRZSA-N -1 1 356.426 2.021 20 0 FEADMM CC(=O)N[C@@H](C)C1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000332505166 554458316 /nfs/dbraw/zinc/45/83/16/554458316.db2.gz HVOOZWUNNAHWSW-LBPRGKRZSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](NC(=O)C(C)C)C3)cnc2n1 ZINC000332557206 554471558 /nfs/dbraw/zinc/47/15/58/554471558.db2.gz UJOPKBZEBYCDQH-CYBMUJFWSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)c2=O ZINC000332557206 554471560 /nfs/dbraw/zinc/47/15/60/554471560.db2.gz UJOPKBZEBYCDQH-CYBMUJFWSA-N -1 1 356.426 2.021 20 0 FEADMM CC[C@]([N-]S(=O)(=O)c1cccnc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510537290 561838048 /nfs/dbraw/zinc/83/80/48/561838048.db2.gz HXJOAXUFBOPDQI-MRXNPFEDSA-N -1 1 368.842 2.492 20 0 FEADMM O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Cl)ccc1[O-] ZINC000333016672 554559306 /nfs/dbraw/zinc/55/93/06/554559306.db2.gz CGGURMIFCOCHSW-CYBMUJFWSA-N -1 1 351.834 2.456 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(C[S@](C)=O)cc2)sc1C ZINC000510699407 561844026 /nfs/dbraw/zinc/84/40/26/561844026.db2.gz LHNUKTIRKYSZAD-NRFANRHFSA-N -1 1 358.510 2.117 20 0 FEADMM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000333125884 554576133 /nfs/dbraw/zinc/57/61/33/554576133.db2.gz HXHXJRWAIOCMIN-DZGCQCFKSA-N -1 1 368.437 2.234 20 0 FEADMM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1csc(=NC2CC2)[n-]1 ZINC000333196571 554587533 /nfs/dbraw/zinc/58/75/33/554587533.db2.gz XLHVFACHPRCQDS-GFCCVEGCSA-N -1 1 353.513 2.892 20 0 FEADMM C[C@H](N=c1ccc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n[n-]1)c1ccccc1 ZINC000333538506 554622146 /nfs/dbraw/zinc/62/21/46/554622146.db2.gz ZMLRDHKGDIENQN-GQIGUUNPSA-N -1 1 354.454 3.034 20 0 FEADMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000511118422 561857977 /nfs/dbraw/zinc/85/79/77/561857977.db2.gz CMFWHPYRJXSTNB-UHFFFAOYSA-N -1 1 373.434 2.040 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1csc(-c2nc[nH]n2)n1 ZINC000511250088 561862776 /nfs/dbraw/zinc/86/27/76/561862776.db2.gz WZSHULVVDNVUON-UHFFFAOYSA-N -1 1 353.367 2.276 20 0 FEADMM O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350841647 554817008 /nfs/dbraw/zinc/81/70/08/554817008.db2.gz VJWNNRUTVHIVKC-UHFFFAOYSA-N -1 1 353.309 2.420 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@H](n3cc4ccccc4n3)C1)c2=O ZINC000360023992 554860394 /nfs/dbraw/zinc/86/03/94/554860394.db2.gz TZHWOARGFDABMC-ZDUSSCGKSA-N -1 1 362.393 2.111 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1ccc(F)c(F)c1F ZINC000361180616 554908524 /nfs/dbraw/zinc/90/85/24/554908524.db2.gz XBTNVQQFDNHTEC-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1-c1cc(C)ccc1C ZINC000362708441 554982392 /nfs/dbraw/zinc/98/23/92/554982392.db2.gz BWSNLUDHMBDIPP-OAHLLOKOSA-N -1 1 365.441 2.330 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ncon3)c2)cs1 ZINC000363190264 555049718 /nfs/dbraw/zinc/04/97/18/555049718.db2.gz HNBOLSCIDSGOLS-UHFFFAOYSA-N -1 1 351.365 2.297 20 0 FEADMM O=C(CC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)N1CCOCC1 ZINC000363198971 555051307 /nfs/dbraw/zinc/05/13/07/555051307.db2.gz MJFUPRSMSZDRLU-UHFFFAOYSA-N -1 1 366.845 2.147 20 0 FEADMM Cc1nccc(-c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2)n1 ZINC000363306387 555074889 /nfs/dbraw/zinc/07/48/89/555074889.db2.gz IHVAYNOJMBFDRR-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM Cn1cccc1C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000363326249 555078949 /nfs/dbraw/zinc/07/89/49/555078949.db2.gz SYWRUMWRJQSOFK-UHFFFAOYSA-N -1 1 361.829 2.419 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363357467 555085343 /nfs/dbraw/zinc/08/53/43/555085343.db2.gz YXKCWPYNONJEOA-CYBMUJFWSA-N -1 1 357.458 2.226 20 0 FEADMM O=C(c1ccco1)N1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000363455573 555110304 /nfs/dbraw/zinc/11/03/04/555110304.db2.gz DQPSETWRCBICOJ-UHFFFAOYSA-N -1 1 368.389 2.440 20 0 FEADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000511999948 561888598 /nfs/dbraw/zinc/88/85/98/561888598.db2.gz HVBRHTKFXQDIQJ-PIGZYNQJSA-N -1 1 370.409 2.189 20 0 FEADMM CC(C)(CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)Cc1ccc(Cl)cc1 ZINC000363686678 555163794 /nfs/dbraw/zinc/16/37/94/555163794.db2.gz MAYUXEHWURWOFP-CQSZACIVSA-N -1 1 363.849 2.412 20 0 FEADMM Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000363719232 555171123 /nfs/dbraw/zinc/17/11/23/555171123.db2.gz BKWPYYMKUSMBGU-UHFFFAOYSA-N -1 1 367.405 2.156 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)C(=O)OC(C)(C)C ZINC000512162705 561894681 /nfs/dbraw/zinc/89/46/81/561894681.db2.gz GLLAORSYFUAPEW-CYBMUJFWSA-N -1 1 362.430 2.160 20 0 FEADMM CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512185290 561895144 /nfs/dbraw/zinc/89/51/44/561895144.db2.gz XLJCBIWJFQVDJS-NSHDSACASA-N -1 1 362.430 2.256 20 0 FEADMM COCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364057272 555242158 /nfs/dbraw/zinc/24/21/58/555242158.db2.gz QZLQETCZIALFJV-KRWDZBQOSA-N -1 1 356.422 2.303 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)c1 ZINC000364117445 555252704 /nfs/dbraw/zinc/25/27/04/555252704.db2.gz COCDZMFJVQDKHC-CYBMUJFWSA-N -1 1 358.485 2.085 20 0 FEADMM COc1cccc2c1OCC[C@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000364146464 555258522 /nfs/dbraw/zinc/25/85/22/555258522.db2.gz YXHLOOVTRDIFAR-CQSZACIVSA-N -1 1 351.362 2.185 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccsc3)C[C@@H]2C)o1 ZINC000364636534 555359329 /nfs/dbraw/zinc/35/93/29/555359329.db2.gz LSDGVYUSRAAMIM-JQWIXIFHSA-N -1 1 354.453 2.267 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC=C(c3ccnc4[nH]ccc43)CC1)c2=O ZINC000364700647 555379104 /nfs/dbraw/zinc/37/91/04/555379104.db2.gz VPZMLCBTKRITDU-UHFFFAOYSA-N -1 1 374.404 2.480 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2ccc(COc3ccccc3)cc2)n[n-]1 ZINC000512664446 561911697 /nfs/dbraw/zinc/91/16/97/561911697.db2.gz CFYDPUVBKBYWLC-UHFFFAOYSA-N -1 1 372.406 2.040 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(COc3ccccc3)cc2)n1 ZINC000512664446 561911698 /nfs/dbraw/zinc/91/16/98/561911698.db2.gz CFYDPUVBKBYWLC-UHFFFAOYSA-N -1 1 372.406 2.040 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCc3ncccc32)o1 ZINC000512716323 561913317 /nfs/dbraw/zinc/91/33/17/561913317.db2.gz NWORAJWGZWXBIX-UHFFFAOYSA-N -1 1 363.439 2.344 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1C(=O)[O-] ZINC000512573061 561909531 /nfs/dbraw/zinc/90/95/31/561909531.db2.gz OUCPGDNEFIFHHV-UHFFFAOYSA-N -1 1 374.378 2.106 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCNC(=O)CC3CCCC3)cnc2n1 ZINC000513349115 561934700 /nfs/dbraw/zinc/93/47/00/561934700.db2.gz SBMMGZXGQMBBGO-UHFFFAOYSA-N -1 1 356.426 2.070 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCNC(=O)CC1CCCC1)c2=O ZINC000513349115 561934701 /nfs/dbraw/zinc/93/47/01/561934701.db2.gz SBMMGZXGQMBBGO-UHFFFAOYSA-N -1 1 356.426 2.070 20 0 FEADMM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)n1 ZINC000366059927 555739728 /nfs/dbraw/zinc/73/97/28/555739728.db2.gz JFFDGGNTALHORV-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000366062552 555740689 /nfs/dbraw/zinc/74/06/89/555740689.db2.gz WCDBONIGBWQWQU-LLVKDONJSA-N -1 1 357.801 2.242 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2Cl)c1 ZINC000513846851 561952261 /nfs/dbraw/zinc/95/22/61/561952261.db2.gz XWNBQFXTQCOWPE-JTQLQIEISA-N -1 1 373.814 2.465 20 0 FEADMM O=C(COc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366656952 555900853 /nfs/dbraw/zinc/90/08/53/555900853.db2.gz RCEUMSUVTNXGHT-JTQLQIEISA-N -1 1 355.320 2.004 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc(Br)cc3)ccnc1-2 ZINC000806480842 674378490 /nfs/dbraw/zinc/37/84/90/674378490.db2.gz ZKMRSBHUQSEMFO-UHFFFAOYSA-N -1 1 360.215 2.426 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367300826 556012478 /nfs/dbraw/zinc/01/24/78/556012478.db2.gz VSUUGUGQNYLMRP-IBGZPJMESA-N -1 1 373.478 2.379 20 0 FEADMM Cc1nc(-c2ccc(NC[C@H]3COC4(CCOCC4)O3)nc2)[n-]c(=O)c1C ZINC000367693579 556116055 /nfs/dbraw/zinc/11/60/55/556116055.db2.gz KDTBDZPETPAJGK-HNNXBMFYSA-N -1 1 372.425 2.195 20 0 FEADMM O=C(N[C@H]1CCCc2c1cnn2CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000367699584 556117829 /nfs/dbraw/zinc/11/78/29/556117829.db2.gz RBNKDXVTLWEXGN-ZDUSSCGKSA-N -1 1 369.343 2.407 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(N2CN=NC2=O)c1 ZINC000368109290 556221843 /nfs/dbraw/zinc/22/18/43/556221843.db2.gz XGBPFPIKFZZENA-UHFFFAOYSA-N -1 1 368.397 2.327 20 0 FEADMM CN1CC[NH+](CC2(C)CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)CC1 ZINC000368131700 556226009 /nfs/dbraw/zinc/22/60/09/556226009.db2.gz BODCQBLBXVHZRD-UHFFFAOYSA-N -1 1 367.440 2.160 20 0 FEADMM CCCc1n[n-]c(=NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)s1 ZINC000369209553 556535985 /nfs/dbraw/zinc/53/59/85/556535985.db2.gz MBNXOFYHDSOCOI-HNNXBMFYSA-N -1 1 374.514 2.919 20 0 FEADMM NC(=O)c1csc(=NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[n-]1 ZINC000624536431 556601351 /nfs/dbraw/zinc/60/13/51/556601351.db2.gz PSPXFHQFCFAOQI-GFCCVEGCSA-N -1 1 352.847 2.213 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)no1 ZINC000369673705 556665392 /nfs/dbraw/zinc/66/53/92/556665392.db2.gz HOOBYIUXNWZWLO-SNVBAGLBSA-N -1 1 366.374 2.353 20 0 FEADMM CC(C)n1cnc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC000369869047 556717356 /nfs/dbraw/zinc/71/73/56/556717356.db2.gz WYXYUQOHEDXHPI-ZDUSSCGKSA-N -1 1 363.784 2.289 20 0 FEADMM CC(C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370068259 556772240 /nfs/dbraw/zinc/77/22/40/556772240.db2.gz WFISLLNJDKLVAU-INIZCTEOSA-N -1 1 356.422 2.037 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)o1 ZINC000370115700 556785597 /nfs/dbraw/zinc/78/55/97/556785597.db2.gz YFFDCLUODAFYDH-QGZVFWFLSA-N -1 1 366.414 2.131 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@H]1O)c1c(Cl)ccnc1Cl ZINC000370233353 556817856 /nfs/dbraw/zinc/81/78/56/556817856.db2.gz OMKFAKNRQMYEIB-VXGBXAGGSA-N -1 1 359.234 2.325 20 0 FEADMM O=C(CCOC1CCOCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000370291752 556831744 /nfs/dbraw/zinc/83/17/44/556831744.db2.gz SUZQPFKJOLBFGS-UHFFFAOYSA-N -1 1 361.438 2.399 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3cc(Br)cs3)ccnc1-2 ZINC000806488179 674378837 /nfs/dbraw/zinc/37/88/37/674378837.db2.gz CTCZCSIQSLXUIZ-UHFFFAOYSA-N -1 1 366.244 2.488 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2Cc2ccccn2)c1 ZINC000370588327 556915357 /nfs/dbraw/zinc/91/53/57/556915357.db2.gz KFCNXVFQJLPXEA-INIZCTEOSA-N -1 1 355.394 2.177 20 0 FEADMM CC(C)(O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370639661 556927906 /nfs/dbraw/zinc/92/79/06/556927906.db2.gz JKJFABIHJCESNR-KRWDZBQOSA-N -1 1 370.449 2.427 20 0 FEADMM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370870605 556997098 /nfs/dbraw/zinc/99/70/98/556997098.db2.gz VSJSLOKSNKPHFM-LBPRGKRZSA-N -1 1 356.213 2.039 20 0 FEADMM CCc1n[n-]c(=NC(=O)N2CCC(CC)(N3CCOCC3)CC2)s1 ZINC000626204075 557022461 /nfs/dbraw/zinc/02/24/61/557022461.db2.gz KZSQAFDQLUBJQD-UHFFFAOYSA-N -1 1 353.492 2.209 20 0 FEADMM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000517287075 562084307 /nfs/dbraw/zinc/08/43/07/562084307.db2.gz KRYWOCCAVMWTBH-CYBMUJFWSA-N -1 1 366.480 2.300 20 0 FEADMM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000517565834 562092610 /nfs/dbraw/zinc/09/26/10/562092610.db2.gz MNLZJTNHAQUUTD-CABCVRRESA-N -1 1 366.502 2.273 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000371722183 557274315 /nfs/dbraw/zinc/27/43/15/557274315.db2.gz DFOSPLJQAJRGER-UKRRQHHQSA-N -1 1 370.453 2.004 20 0 FEADMM CC(C)CCN(CCC(C)C)C(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000518040081 562103129 /nfs/dbraw/zinc/10/31/29/562103129.db2.gz NLGRVPYTWYKSFA-UHFFFAOYSA-N -1 1 370.519 2.377 20 0 FEADMM C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000518189204 562106106 /nfs/dbraw/zinc/10/61/06/562106106.db2.gz BVSQWOPSUCCIRM-VIFPVBQESA-N -1 1 371.426 2.223 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000371874217 557316679 /nfs/dbraw/zinc/31/66/79/557316679.db2.gz ZYGWEAAQZUKHPA-XZJROXQQSA-N -1 1 368.359 2.394 20 0 FEADMM O=C(c1c(F)cccc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372159026 557394986 /nfs/dbraw/zinc/39/49/86/557394986.db2.gz XFVMEYDZNAWHDP-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)c2cccnc12 ZINC000519321057 562129145 /nfs/dbraw/zinc/12/91/45/562129145.db2.gz PIJNIUYBQPPXPR-UHFFFAOYSA-N -1 1 371.418 2.452 20 0 FEADMM O=C([O-])[C@@H]1CN(CCS(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000519597269 562136401 /nfs/dbraw/zinc/13/64/01/562136401.db2.gz AXTCCCQGTMQFDW-ZWKOTPCHSA-N -1 1 359.447 2.261 20 0 FEADMM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCN(C3CC3)CC2)n1 ZINC000372700664 557541902 /nfs/dbraw/zinc/54/19/02/557541902.db2.gz HNIWZKBLFNYTLR-UHFFFAOYSA-N -1 1 354.454 2.451 20 0 FEADMM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000519724702 562141544 /nfs/dbraw/zinc/14/15/44/562141544.db2.gz OMNXELHYTOQWPN-GFCCVEGCSA-N -1 1 371.372 2.428 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000519741631 562141895 /nfs/dbraw/zinc/14/18/95/562141895.db2.gz CBENFFURRXZGQB-SFHVURJKSA-N -1 1 373.844 2.008 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000373239058 557656256 /nfs/dbraw/zinc/65/62/56/557656256.db2.gz BJEQGCLOWXKPRS-UHFFFAOYSA-N -1 1 371.441 2.262 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC2(C1)CCCCC2 ZINC000373477090 557701093 /nfs/dbraw/zinc/70/10/93/557701093.db2.gz WGGUUFQSDLRFFT-UHFFFAOYSA-N -1 1 352.438 2.476 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(-c3ccncc3)n[nH]1)OCO2 ZINC000373613358 557729533 /nfs/dbraw/zinc/72/95/33/557729533.db2.gz TYJOYFDZJSCYEW-UHFFFAOYSA-N -1 1 358.379 2.310 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Cc2ccc(O)cc2)n[n-]1 ZINC000520420946 562156207 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Cc1[nH]ncc1C1CCN(C(=O)N=c2[n-]nc(C(F)(F)F)s2)CC1 ZINC000375257942 557999932 /nfs/dbraw/zinc/99/99/32/557999932.db2.gz KOHMJBFZXKJZJS-UHFFFAOYSA-N -1 1 360.365 3.000 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000375731400 558073956 /nfs/dbraw/zinc/07/39/56/558073956.db2.gz NMJJBXXKOZJIEB-UHFFFAOYSA-N -1 1 354.388 2.482 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(OCC)CCCC3)CC2)n1 ZINC000376092637 558125891 /nfs/dbraw/zinc/12/58/91/558125891.db2.gz MMLMSAAWXQZGQE-UHFFFAOYSA-N -1 1 364.446 2.037 20 0 FEADMM CCc1nc(SCC(=O)NCCOc2ccc(F)cc2)[n-]c(=O)c1C ZINC000521645809 562181238 /nfs/dbraw/zinc/18/12/38/562181238.db2.gz MBKBLFCFTVEQMQ-UHFFFAOYSA-N -1 1 365.430 2.479 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000376326801 558158461 /nfs/dbraw/zinc/15/84/61/558158461.db2.gz DBGJFOYZXUPRQK-RTHLEPHNSA-N -1 1 355.343 2.006 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3C[C@@H](C)O[C@@]4(CCCOC4)C3)c2=O)[nH+]1 ZINC000376444799 558173969 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/nfs/dbraw/zinc/69/60/61/559696061.db2.gz VZPCGFRWRDQPHH-ARFHVFGLSA-N -1 1 357.410 2.302 20 0 FEADMM Cc1nc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(Br)s1 ZINC000425326246 559696821 /nfs/dbraw/zinc/69/68/21/559696821.db2.gz UHWVERVRGIADCP-UHFFFAOYSA-N -1 1 373.232 2.322 20 0 FEADMM CN(Cc1ncnn1C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000426997381 559745368 /nfs/dbraw/zinc/74/53/68/559745368.db2.gz APFXTDQCZXHMLJ-UHFFFAOYSA-N -1 1 371.466 2.248 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000427084284 559747349 /nfs/dbraw/zinc/74/73/49/559747349.db2.gz JFZRBXQYNLDUQZ-UZLBHIALSA-N -1 1 370.453 2.153 20 0 FEADMM CCOC(=O)COc1ccc(CCNC(=O)c2ncc(C)cc2[O-])cc1 ZINC000427230973 559751015 /nfs/dbraw/zinc/75/10/15/559751015.db2.gz INNDVLWKBWYMLG-UHFFFAOYSA-N -1 1 358.394 2.010 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccnc3ccncc32)c(=O)[n-]1 ZINC000427576423 559758227 /nfs/dbraw/zinc/75/82/27/559758227.db2.gz CLEIOWSYAZPZCZ-UHFFFAOYSA-N -1 1 355.423 2.149 20 0 FEADMM CC[C@@]1(O)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000428729728 559781894 /nfs/dbraw/zinc/78/18/94/559781894.db2.gz VAADHUYQYGYSAW-LJQANCHMSA-N -1 1 374.462 2.474 20 0 FEADMM COCCOc1ccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)cc1 ZINC000428780993 559783154 /nfs/dbraw/zinc/78/31/54/559783154.db2.gz NDHCAQOVFNFLAU-UHFFFAOYSA-N -1 1 370.434 2.228 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccccc1)c1cc(F)c(F)cc1F ZINC000431086410 559833826 /nfs/dbraw/zinc/83/38/26/559833826.db2.gz QRHVDBRFQAJCGQ-GFCCVEGCSA-N -1 1 359.369 2.233 20 0 FEADMM NC(=O)c1csc(=N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[n-]1 ZINC000432319271 559856307 /nfs/dbraw/zinc/85/63/07/559856307.db2.gz FLMOTPJKKRAYDL-SECBINFHSA-N -1 1 372.372 2.831 20 0 FEADMM COc1ccc(CCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)c(OC)c1 ZINC000432359463 559857376 /nfs/dbraw/zinc/85/73/76/559857376.db2.gz QJQWVHMLQODRBM-UHFFFAOYSA-N -1 1 370.453 2.821 20 0 FEADMM O=S(=O)(Cc1ccc(F)cn1)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000432638010 559862219 /nfs/dbraw/zinc/86/22/19/559862219.db2.gz XRSAHPZMVCKCMP-UHFFFAOYSA-N -1 1 358.398 2.468 20 0 FEADMM O=S(=O)(Cc1ccc(F)cn1)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000432638010 559862220 /nfs/dbraw/zinc/86/22/20/559862220.db2.gz XRSAHPZMVCKCMP-UHFFFAOYSA-N -1 1 358.398 2.468 20 0 FEADMM CCCOc1cccc(CNC(=O)CSc2nc(C(=O)OC)c[n-]2)c1 ZINC000432672810 559862952 /nfs/dbraw/zinc/86/29/52/559862952.db2.gz ZPWSUPJZMQTWKY-UHFFFAOYSA-N -1 1 363.439 2.394 20 0 FEADMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)OCC ZINC000433473469 559882603 /nfs/dbraw/zinc/88/26/03/559882603.db2.gz XLIMNAPMNMYSPF-VIFPVBQESA-N -1 1 353.362 2.362 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 ZINC000433505699 559883334 /nfs/dbraw/zinc/88/33/34/559883334.db2.gz BSLKIHAVAZRJAR-SFHVURJKSA-N -1 1 373.434 2.104 20 0 FEADMM COC(=O)c1[n-]c(=N[C@H]2CCN(C(=O)CCc3ccccc3)C2)sc1C ZINC000433771690 559887519 /nfs/dbraw/zinc/88/75/19/559887519.db2.gz SXADYFDQYGUXBD-HNNXBMFYSA-N -1 1 373.478 2.884 20 0 FEADMM CCC[C@@H](NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nn[n-]n1 ZINC000434772742 559908970 /nfs/dbraw/zinc/90/89/70/559908970.db2.gz BKAIMHVMMPPCKA-SNVBAGLBSA-N -1 1 372.410 2.323 20 0 FEADMM NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435425680 559922500 /nfs/dbraw/zinc/92/25/00/559922500.db2.gz ZRXBIKFFCIJSDN-LDYMZIIASA-N -1 1 369.245 2.455 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)n1 ZINC000436207191 559937502 /nfs/dbraw/zinc/93/75/02/559937502.db2.gz RPFZSBACEIHKFA-HNNXBMFYSA-N -1 1 359.451 2.153 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 ZINC000436251694 559938372 /nfs/dbraw/zinc/93/83/72/559938372.db2.gz GLHUNGLMLMDKOW-SECBINFHSA-N -1 1 359.407 2.439 20 0 FEADMM CCc1[nH]nc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c1Br ZINC000436509064 559943712 /nfs/dbraw/zinc/94/37/12/559943712.db2.gz QYKCNGCMGATXPL-UHFFFAOYSA-N -1 1 368.187 2.479 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)NC(=O)c2ccccc2)c1 ZINC000436513349 559943895 /nfs/dbraw/zinc/94/38/95/559943895.db2.gz MUHWCJDVSTWVPY-LBPRGKRZSA-N -1 1 356.378 2.326 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000436524269 559944283 /nfs/dbraw/zinc/94/42/83/559944283.db2.gz GBACDRWQPPOULU-UHFFFAOYSA-N -1 1 359.363 2.077 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)cc12 ZINC000436631309 559947049 /nfs/dbraw/zinc/94/70/49/559947049.db2.gz RKHMNGIQUPUWSM-UHFFFAOYSA-N -1 1 363.351 2.044 20 0 FEADMM O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)C(=O)c1ccc([O-])cc1 ZINC000436632781 559947053 /nfs/dbraw/zinc/94/70/53/559947053.db2.gz GLRCMMYONHQKNM-UHFFFAOYSA-N -1 1 359.769 2.397 20 0 FEADMM Cc1nnc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000436670747 559948375 /nfs/dbraw/zinc/94/83/75/559948375.db2.gz GYHSTEAGQZCVLJ-UHFFFAOYSA-N -1 1 359.367 2.353 20 0 FEADMM CCOCCCNC(=O)c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436675286 559948678 /nfs/dbraw/zinc/94/86/78/559948678.db2.gz VTNFAFPKPHFSLG-UHFFFAOYSA-N -1 1 370.405 2.370 20 0 FEADMM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436711169 559949523 /nfs/dbraw/zinc/94/95/23/559949523.db2.gz DXDOMZYGAHCFCG-RKDXNWHRSA-N -1 1 366.418 2.338 20 0 FEADMM CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2ccc([O-])cc2F)CC1 ZINC000436750462 559951026 /nfs/dbraw/zinc/95/10/26/559951026.db2.gz XGXVVPWKOWYPNR-LBPRGKRZSA-N -1 1 372.462 2.054 20 0 FEADMM COCCN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCO[C@H]1C ZINC000436821822 559953108 /nfs/dbraw/zinc/95/31/08/559953108.db2.gz MKDFXJTZCAFWOZ-GWCFXTLKSA-N -1 1 358.232 2.421 20 0 FEADMM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(N3CCN(C)CC3)n2)c1 ZINC000436829771 559953458 /nfs/dbraw/zinc/95/34/58/559953458.db2.gz BSUBTDXENFSXHL-UHFFFAOYSA-N -1 1 368.437 2.384 20 0 FEADMM Cc1c(NC(=O)C(=O)c2ccc([O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000436860948 559954657 /nfs/dbraw/zinc/95/46/57/559954657.db2.gz RIJNUUODIVUZHY-UHFFFAOYSA-N -1 1 351.362 2.011 20 0 FEADMM Cn1cc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccc(F)cc2)cn1 ZINC000436913391 559956339 /nfs/dbraw/zinc/95/63/39/559956339.db2.gz VNBPYGLKYVAMQJ-QGZVFWFLSA-N -1 1 353.353 2.353 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(OC)cc1OC ZINC000436920490 559956361 /nfs/dbraw/zinc/95/63/61/559956361.db2.gz PQGIUUWFPONSKN-INIZCTEOSA-N -1 1 363.341 2.193 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCF)c2)cc1 ZINC000437683617 559967905 /nfs/dbraw/zinc/96/79/05/559967905.db2.gz AQAAMKUOVYTSFA-UHFFFAOYSA-N -1 1 352.387 2.195 20 0 FEADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000438717771 559982647 /nfs/dbraw/zinc/98/26/47/559982647.db2.gz OLJFMGGSCMTDOJ-UHFFFAOYSA-N -1 1 369.464 2.427 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(Oc2ncnc3cc(F)c(F)cc32)cn1 ZINC000439128990 559988875 /nfs/dbraw/zinc/98/88/75/559988875.db2.gz POQOIWRFQHISNO-UHFFFAOYSA-N -1 1 352.322 2.467 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1nncn1C ZINC000439195100 559989889 /nfs/dbraw/zinc/98/98/89/559989889.db2.gz ADLQKTUMGZJGTP-ZETCQYMHSA-N -1 1 367.233 2.343 20 0 FEADMM COCCN1CC[C@@H](NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000439206745 559990135 /nfs/dbraw/zinc/99/01/35/559990135.db2.gz AGSKVTLPAYXDBZ-MRXNPFEDSA-N -1 1 372.469 2.152 20 0 FEADMM Cc1cc(O)ccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000439262569 559991020 /nfs/dbraw/zinc/99/10/20/559991020.db2.gz WMZZUAHOEUANQH-UHFFFAOYSA-N -1 1 350.378 2.336 20 0 FEADMM CN(C)C(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000439569688 559997094 /nfs/dbraw/zinc/99/70/94/559997094.db2.gz LLXBUKONVAPZMN-UHFFFAOYSA-N -1 1 372.399 2.088 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)cc1[N-]S(C)(=O)=O ZINC000440275983 560007978 /nfs/dbraw/zinc/00/79/78/560007978.db2.gz LKJNAURZFBRXSH-ZIAGYGMSSA-N -1 1 371.459 2.002 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccc(OC)c2)o1 ZINC000441889849 560040523 /nfs/dbraw/zinc/04/05/23/560040523.db2.gz NKZTWHSBESCLRF-UHFFFAOYSA-N -1 1 367.423 2.331 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000442345142 560049433 /nfs/dbraw/zinc/04/94/33/560049433.db2.gz DSJAEZQVFLCPKX-UHFFFAOYSA-N -1 1 366.370 2.027 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442719898 560055101 /nfs/dbraw/zinc/05/51/01/560055101.db2.gz XXBBLMJFFRXOQA-UHFFFAOYSA-N -1 1 366.212 2.354 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1 ZINC000443065862 560068922 /nfs/dbraw/zinc/06/89/22/560068922.db2.gz GOLPSRLEVBHSJM-HIFRSBDPSA-N -1 1 363.439 2.201 20 0 FEADMM COc1cc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)cc(Cl)c1[O-] ZINC000443132906 560072038 /nfs/dbraw/zinc/07/20/38/560072038.db2.gz RBRZKBHQRSIBSI-OAHLLOKOSA-N -1 1 374.824 2.238 20 0 FEADMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)no1 ZINC000443162472 560073314 /nfs/dbraw/zinc/07/33/14/560073314.db2.gz QLNNVBKBHPDEJD-UHFFFAOYSA-N -1 1 373.406 2.002 20 0 FEADMM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000443233233 560075521 /nfs/dbraw/zinc/07/55/21/560075521.db2.gz IFIHJDPQBREDOF-NTSWFWBYSA-N -1 1 362.698 2.459 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC)c1cc(F)ccc1F ZINC000443256559 560076520 /nfs/dbraw/zinc/07/65/20/560076520.db2.gz YPUWGQUAEVBRTG-ZDUSSCGKSA-N -1 1 373.381 2.294 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@@H]1CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000443265238 560076819 /nfs/dbraw/zinc/07/68/19/560076819.db2.gz AJHDWOZRDGQWBQ-HQJQHLMTSA-N -1 1 374.673 2.323 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)nc1)C(F)(F)F ZINC000443940068 560096952 /nfs/dbraw/zinc/09/69/52/560096952.db2.gz RSJMKFUOALVDOC-KWQFWETISA-N -1 1 354.350 2.124 20 0 FEADMM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccn(C)n1 ZINC000444372337 560112289 /nfs/dbraw/zinc/11/22/89/560112289.db2.gz PTXBHOMQTYSHCX-UHFFFAOYSA-N -1 1 361.199 2.301 20 0 FEADMM CCN1C[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC1=O ZINC000444391150 560112937 /nfs/dbraw/zinc/11/29/37/560112937.db2.gz JGRNNPXJOZXZRE-CYBMUJFWSA-N -1 1 373.453 2.262 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C)n3nnnc3C(C)(C)C)[nH][n-]2)c1 ZINC000444785253 560120623 /nfs/dbraw/zinc/12/06/23/560120623.db2.gz XJTLYJJOXAIENA-NSHDSACASA-N -1 1 371.420 3.008 20 0 FEADMM C[C@H]1NC(c2nc(-c3ccc([O-])cc3F)no2)=NN(c2ccccc2)C1=O ZINC000445457814 560132439 /nfs/dbraw/zinc/13/24/39/560132439.db2.gz ZUJDBVGVZLGNTN-SNVBAGLBSA-N -1 1 367.340 2.268 20 0 FEADMM CC(=O)Nc1ccncc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000446775910 560151541 /nfs/dbraw/zinc/15/15/41/560151541.db2.gz JAADEXCNIJKVNV-UHFFFAOYSA-N -1 1 357.794 2.196 20 0 FEADMM CCc1cncc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000447552024 560164290 /nfs/dbraw/zinc/16/42/90/560164290.db2.gz SHBQBQLFBSCGFT-UHFFFAOYSA-N -1 1 361.423 2.043 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3CCC(=O)CC3)c2)n1 ZINC000447676123 560166549 /nfs/dbraw/zinc/16/65/49/560166549.db2.gz PPFKMUAVFVAPIC-UHFFFAOYSA-N -1 1 370.409 2.024 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](CC)SC)c2)n1 ZINC000447680359 560166747 /nfs/dbraw/zinc/16/67/47/560166747.db2.gz RDABCIZCXZRNEB-ZDUSSCGKSA-N -1 1 362.455 2.406 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@H]1CCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000447933161 560173674 /nfs/dbraw/zinc/17/36/74/560173674.db2.gz SSCWEQFRQLHVSV-WDEREUQCSA-N -1 1 373.780 2.177 20 0 FEADMM CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000448183498 560179981 /nfs/dbraw/zinc/17/99/81/560179981.db2.gz WPMQPIHVQODDIX-AWEZNQCLSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000448179364 560180028 /nfs/dbraw/zinc/18/00/28/560180028.db2.gz JUUFXUXSWOEUIL-CQSZACIVSA-N -1 1 372.462 2.231 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000449134290 560217394 /nfs/dbraw/zinc/21/73/94/560217394.db2.gz ICNAQYZKAKYNAZ-FZMZJTMJSA-N -1 1 374.441 2.077 20 0 FEADMM O=C(CC1CC(F)(F)C1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000449921086 560245307 /nfs/dbraw/zinc/24/53/07/560245307.db2.gz FBFOUMXUIFZNQR-UHFFFAOYSA-N -1 1 360.382 2.207 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@H]1CCn2cncc2C1 ZINC000450691692 560270341 /nfs/dbraw/zinc/27/03/41/560270341.db2.gz ACPYURBPMPFCFP-JTQLQIEISA-N -1 1 358.789 2.228 20 0 FEADMM CO[C@H]1COCC[C@@H]1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700246 560270387 /nfs/dbraw/zinc/27/03/87/560270387.db2.gz DILKQBGEWREFQH-RNCFNFMXSA-N -1 1 366.805 2.211 20 0 FEADMM CO[C@H]1COCC[C@@H]1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700246 560270388 /nfs/dbraw/zinc/27/03/88/560270388.db2.gz DILKQBGEWREFQH-RNCFNFMXSA-N -1 1 366.805 2.211 20 0 FEADMM CO[C@H]1COCC[C@H]1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700252 560270476 /nfs/dbraw/zinc/27/04/76/560270476.db2.gz DILKQBGEWREFQH-ZANVPECISA-N -1 1 366.805 2.211 20 0 FEADMM CO[C@H]1COCC[C@H]1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700252 560270477 /nfs/dbraw/zinc/27/04/77/560270477.db2.gz DILKQBGEWREFQH-ZANVPECISA-N -1 1 366.805 2.211 20 0 FEADMM COc1cccc(Oc2ccc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)nc2)c1 ZINC000450840230 560275285 /nfs/dbraw/zinc/27/52/85/560275285.db2.gz IMPAHFBEORAYJP-GFCCVEGCSA-N -1 1 368.397 2.271 20 0 FEADMM Cc1ccc(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c(Br)c1 ZINC000450842589 560275388 /nfs/dbraw/zinc/27/53/88/560275388.db2.gz MVWDIRRUGAMAMV-JTQLQIEISA-N -1 1 352.236 2.075 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@@H](NC(=O)N(C)C)C3)nc2)[n-]c(=O)c1C ZINC000450923762 560278838 /nfs/dbraw/zinc/27/88/38/560278838.db2.gz ROUIXIMRMOPXLV-OAHLLOKOSA-N -1 1 370.457 2.101 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CCCC2)c(F)c1 ZINC000450975822 560280826 /nfs/dbraw/zinc/28/08/26/560280826.db2.gz YFDPUMHZVXXTBQ-UHFFFAOYSA-N -1 1 364.464 2.198 20 0 FEADMM CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000451071245 560285494 /nfs/dbraw/zinc/28/54/94/560285494.db2.gz LCYUOFVCGJCOJA-UHFFFAOYSA-N -1 1 366.395 2.296 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1 ZINC000451115864 560287976 /nfs/dbraw/zinc/28/79/76/560287976.db2.gz OXBKIOVRZHJNKP-UHFFFAOYSA-N -1 1 354.457 2.155 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2C)c(F)c1 ZINC000451261373 560296777 /nfs/dbraw/zinc/29/67/77/560296777.db2.gz LQCVUYRCNQTPDW-LLVKDONJSA-N -1 1 364.464 2.150 20 0 FEADMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451485295 560309959 /nfs/dbraw/zinc/30/99/59/560309959.db2.gz YKHNFTWQGYZRTG-LKFCYVNXSA-N -1 1 361.872 2.373 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C1CCC1)c1cc(Br)c(F)cc1F ZINC000452042848 560347212 /nfs/dbraw/zinc/34/72/12/560347212.db2.gz GCYLEMUYQMHUFU-NSHDSACASA-N -1 1 370.215 2.167 20 0 FEADMM CC[C@@H]1C[C@H]1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452770329 560373512 /nfs/dbraw/zinc/37/35/12/560373512.db2.gz IEVJHAHOISNONZ-ZJUUUORDSA-N -1 1 365.282 2.434 20 0 FEADMM CCO[C@H]1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H]1C ZINC000452834753 560375907 /nfs/dbraw/zinc/37/59/07/560375907.db2.gz QLHSTQNIZSRXMH-LRDDRELGSA-N -1 1 360.458 2.258 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc(Cl)c1[O-] ZINC000453005242 560380797 /nfs/dbraw/zinc/38/07/97/560380797.db2.gz PKRYZQFMWLDJEQ-NJZAAPMLSA-N -1 1 369.845 2.446 20 0 FEADMM CC1(C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@](C)(C(F)(F)F)O1 ZINC000454239762 560435979 /nfs/dbraw/zinc/43/59/79/560435979.db2.gz HBZBHZJITDLTLR-MRXNPFEDSA-N -1 1 369.343 2.495 20 0 FEADMM COc1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000454889773 560462395 /nfs/dbraw/zinc/46/23/95/560462395.db2.gz HZWCNZIOQPKESU-LBPRGKRZSA-N -1 1 371.459 2.005 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CCC(C)C)cn2)co1 ZINC000456785198 560532795 /nfs/dbraw/zinc/53/27/95/560532795.db2.gz NQPLRZUAQATWFK-UHFFFAOYSA-N -1 1 351.428 2.424 20 0 FEADMM CC(C)OCCOC1CCN(C(=O)c2csc(=NC3CC3)[n-]2)CC1 ZINC000456800782 560533167 /nfs/dbraw/zinc/53/31/67/560533167.db2.gz CNPVYMWILXPHGK-UHFFFAOYSA-N -1 1 353.488 2.764 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)C[C@H]1c1ccccc1 ZINC000456968266 560541198 /nfs/dbraw/zinc/54/11/98/560541198.db2.gz XCCAKTQGDQOANA-GJZGRUSLSA-N -1 1 371.462 2.746 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2cccc(N3CC[NH+]=C3[O-])c2)s1 ZINC000460777723 560751802 /nfs/dbraw/zinc/75/18/02/560751802.db2.gz NGADDVLPNGYUNA-UHFFFAOYSA-N -1 1 352.441 2.036 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3ccc(C)nc32)c1 ZINC000461460718 560772424 /nfs/dbraw/zinc/77/24/24/560772424.db2.gz NQUMFHMOIZBUDA-UHFFFAOYSA-N -1 1 371.418 2.409 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2SC)c1 ZINC000461465952 560772977 /nfs/dbraw/zinc/77/29/77/560772977.db2.gz SFVZZYFKOVIJSP-UHFFFAOYSA-N -1 1 352.437 2.275 20 0 FEADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461583261 560775704 /nfs/dbraw/zinc/77/57/04/560775704.db2.gz KTJFMXWXFTZXNO-BLVKFPJESA-N -1 1 358.442 2.008 20 0 FEADMM CCOc1cc(C(=O)NC(C)(C)c2nn[n-]n2)cc(OCC)c1OCC ZINC000461636731 560778310 /nfs/dbraw/zinc/77/83/10/560778310.db2.gz RLINXCYUCJETET-UHFFFAOYSA-N -1 1 363.418 2.061 20 0 FEADMM CC(C)(NC(=O)COc1ccc(OCc2ccccc2)cc1)c1nn[n-]n1 ZINC000461645558 560778654 /nfs/dbraw/zinc/77/86/54/560778654.db2.gz ITBSBWXLCGXKEO-UHFFFAOYSA-N -1 1 367.409 2.209 20 0 FEADMM Cc1cc(Cl)ccc1NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000461749119 560781514 /nfs/dbraw/zinc/78/15/14/560781514.db2.gz SKOZEOPUUHXOOD-VIFPVBQESA-N -1 1 368.846 2.445 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c1C ZINC000462101141 560797074 /nfs/dbraw/zinc/79/70/74/560797074.db2.gz KGYGNWMVYOZINX-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](C)[C@@H](C)COC)c2)n1 ZINC000462318948 560805765 /nfs/dbraw/zinc/80/57/65/560805765.db2.gz GBWJKWNXEUZCIQ-QWHCGFSZSA-N -1 1 374.441 2.183 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)o1 ZINC000462352638 560807344 /nfs/dbraw/zinc/80/73/44/560807344.db2.gz ARTWEZBAQLMWOO-UHFFFAOYSA-N -1 1 366.370 2.208 20 0 FEADMM COc1ccc(NC(=O)NCCC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000466466662 560887414 /nfs/dbraw/zinc/88/74/14/560887414.db2.gz QSEWHEVITQHADK-UHFFFAOYSA-N -1 1 355.338 2.141 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Br)c(F)c1 ZINC000467307433 560908212 /nfs/dbraw/zinc/90/82/12/560908212.db2.gz FTRSXGBGBBXUEI-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(F)cc2)c1OC ZINC000467301280 560908108 /nfs/dbraw/zinc/90/81/08/560908108.db2.gz ZTCJQDRIDUMUAN-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COC(=O)c1cccc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000467699622 560915125 /nfs/dbraw/zinc/91/51/25/560915125.db2.gz GGRPRFUGDIZCLA-UHFFFAOYSA-N -1 1 351.362 2.360 20 0 FEADMM COC(=O)c1cccc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000467699622 560915126 /nfs/dbraw/zinc/91/51/26/560915126.db2.gz GGRPRFUGDIZCLA-UHFFFAOYSA-N -1 1 351.362 2.360 20 0 FEADMM COCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1 ZINC000467758820 560916641 /nfs/dbraw/zinc/91/66/41/560916641.db2.gz PIEBWNNUXYLVIR-UHFFFAOYSA-N -1 1 351.380 2.080 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)ccc1C ZINC000467756322 560916656 /nfs/dbraw/zinc/91/66/56/560916656.db2.gz GIPWKFUMKOJEDB-UHFFFAOYSA-N -1 1 364.379 2.158 20 0 FEADMM CCC[C@](C)(CO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000468337739 560927313 /nfs/dbraw/zinc/92/73/13/560927313.db2.gz FWPCEHNUSUATPH-LJQANCHMSA-N -1 1 358.442 2.153 20 0 FEADMM COc1cc(NC(=O)c2c(F)cccc2OC)ccc1[N-]S(C)(=O)=O ZINC000468498419 560931647 /nfs/dbraw/zinc/93/16/47/560931647.db2.gz OXIZWRNDRXPVKQ-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccsc1 ZINC000469198097 560949711 /nfs/dbraw/zinc/94/97/11/560949711.db2.gz QAOULXOOVSVUSD-OAHLLOKOSA-N -1 1 367.448 2.266 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(C)c(C)c1 ZINC000469240403 560950782 /nfs/dbraw/zinc/95/07/82/560950782.db2.gz WVLHNGUHXNWZEB-JKSUJKDBSA-N -1 1 355.456 2.006 20 0 FEADMM Cc1sccc1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000469795262 560964689 /nfs/dbraw/zinc/96/46/89/560964689.db2.gz AYELJHLMEPNIJR-UHFFFAOYSA-N -1 1 366.464 2.384 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC000470244130 560977392 /nfs/dbraw/zinc/97/73/92/560977392.db2.gz USKGLFDOIARBAE-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM CC(C)[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])Cc1ccccc1 ZINC000470723120 560988089 /nfs/dbraw/zinc/98/80/89/560988089.db2.gz NMNCVQWPVHFVPR-MRXNPFEDSA-N -1 1 355.438 2.148 20 0 FEADMM CCC1(CC)Oc2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2O1 ZINC000470733919 560988287 /nfs/dbraw/zinc/98/82/87/560988287.db2.gz AJLOPDSYGSXXRS-UHFFFAOYSA-N -1 1 371.393 2.443 20 0 FEADMM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470981135 560995997 /nfs/dbraw/zinc/99/59/97/560995997.db2.gz DNQSYYUIVREEQM-UHFFFAOYSA-N -1 1 358.402 2.114 20 0 FEADMM CC(C)(C)N1C[C@@H](NC(=O)c2cc(Br)ccc2[O-])CC1=O ZINC000472589107 561030224 /nfs/dbraw/zinc/03/02/24/561030224.db2.gz AOZDRJGSBLHEQA-JTQLQIEISA-N -1 1 355.232 2.284 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cccc(C)c1C ZINC000472736627 561034063 /nfs/dbraw/zinc/03/40/63/561034063.db2.gz ICQCCTOGPYYRJN-WBVHZDCISA-N -1 1 369.483 2.396 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccnn1CC)c1cccc(C)c1C ZINC000472753982 561034524 /nfs/dbraw/zinc/03/45/24/561034524.db2.gz QXGVFHIYIHBDHI-INIZCTEOSA-N -1 1 365.455 2.103 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCC(=O)c1ccccn1 ZINC000474185038 561067870 /nfs/dbraw/zinc/06/78/70/561067870.db2.gz SIQRLEFTGZSTEK-UHFFFAOYSA-N -1 1 365.386 2.194 20 0 FEADMM CCc1ccccc1NC(=O)CN(C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000474345199 561071654 /nfs/dbraw/zinc/07/16/54/561071654.db2.gz AKPXSCGOHUXEAU-UHFFFAOYSA-N -1 1 374.466 2.486 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1Cl ZINC000474407666 561073387 /nfs/dbraw/zinc/07/33/87/561073387.db2.gz FFJTVVJRJMQTBL-UHFFFAOYSA-N -1 1 352.759 2.110 20 0 FEADMM Cc1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cn1 ZINC000476414293 561118876 /nfs/dbraw/zinc/11/88/76/561118876.db2.gz KXZNQDUJMDRVGH-UHFFFAOYSA-N -1 1 372.200 2.047 20 0 FEADMM COc1c2ccccc2oc1CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000476531553 561121817 /nfs/dbraw/zinc/12/18/17/561121817.db2.gz IJUFWENGCRHZBP-UHFFFAOYSA-N -1 1 352.350 2.359 20 0 FEADMM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc2c(c1)OCO2 ZINC000476567164 561122803 /nfs/dbraw/zinc/12/28/03/561122803.db2.gz QAJVZLZBVPTGRZ-UHFFFAOYSA-N -1 1 357.391 2.461 20 0 FEADMM COc1cc(-n2cccc2)c(Cl)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477054948 561135391 /nfs/dbraw/zinc/13/53/91/561135391.db2.gz CQXHMKWAEYFMIL-UHFFFAOYSA-N -1 1 358.789 2.072 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000477201344 561139168 /nfs/dbraw/zinc/13/91/68/561139168.db2.gz BTGQEELLIGZIPM-JTQLQIEISA-N -1 1 372.406 2.483 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C(=O)N2CCCC2)c(F)c1 ZINC000528559761 562336300 /nfs/dbraw/zinc/33/63/00/562336300.db2.gz BVVIHRAXJXCGNV-UHFFFAOYSA-N -1 1 360.426 2.200 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)n1[C@@H]1CCOC1 ZINC000529249717 562366224 /nfs/dbraw/zinc/36/62/24/562366224.db2.gz DZSSIEHKHRGDMG-UONOGXRCSA-N -1 1 360.414 2.175 20 0 FEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1OC ZINC000531286864 562440690 /nfs/dbraw/zinc/44/06/90/562440690.db2.gz MBMSCAFBEYLHDM-UHFFFAOYSA-N -1 1 370.365 2.038 20 0 FEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1OC ZINC000531286864 562440691 /nfs/dbraw/zinc/44/06/91/562440691.db2.gz MBMSCAFBEYLHDM-UHFFFAOYSA-N -1 1 370.365 2.038 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000531531233 562448753 /nfs/dbraw/zinc/44/87/53/562448753.db2.gz UDMYBOZRQBFRHM-NSHDSACASA-N -1 1 358.423 2.068 20 0 FEADMM COC(=O)CCC1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000531778250 562456471 /nfs/dbraw/zinc/45/64/71/562456471.db2.gz WNBIPNFFLAVBNA-UHFFFAOYSA-N -1 1 353.444 2.018 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cncc([O-])c3)C2)c1 ZINC000532311635 562473560 /nfs/dbraw/zinc/47/35/60/562473560.db2.gz LRVOAGNAVHWLTG-CYBMUJFWSA-N -1 1 357.410 2.061 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000533176960 562500589 /nfs/dbraw/zinc/50/05/89/562500589.db2.gz JXVFXEOJXHAFRX-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM COc1ccc(OC2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)cc1 ZINC000533240114 562502470 /nfs/dbraw/zinc/50/24/70/562502470.db2.gz LZJSRBVCSFNECM-UHFFFAOYSA-N -1 1 354.410 2.075 20 0 FEADMM O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000533572754 562513485 /nfs/dbraw/zinc/51/34/85/562513485.db2.gz WXULESYRWGIUSB-LLVKDONJSA-N -1 1 357.805 2.059 20 0 FEADMM CCCCCn1nc(C)cc1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000533713186 562516651 /nfs/dbraw/zinc/51/66/51/562516651.db2.gz JZWXLXDFKAWHAW-UHFFFAOYSA-N -1 1 354.432 2.135 20 0 FEADMM CCOc1ccc(OC=C([O-])Nc2nc(-c3cccnc3)ns2)cc1 ZINC000533725492 562516901 /nfs/dbraw/zinc/51/69/01/562516901.db2.gz ORTUTWWJEXQKJD-UHFFFAOYSA-N -1 1 356.407 2.438 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(C(C)C)cc2)co1 ZINC000534414058 562533659 /nfs/dbraw/zinc/53/36/59/562533659.db2.gz XODZIKIOCMQDFR-UHFFFAOYSA-N -1 1 350.440 2.284 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(OC)cc3s2)co1 ZINC000534415713 562533765 /nfs/dbraw/zinc/53/37/65/562533765.db2.gz LXMRMXJVJXMUOM-UHFFFAOYSA-N -1 1 367.408 2.058 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(OC3CCC3)cc2Cl)n1 ZINC000535473224 562559290 /nfs/dbraw/zinc/55/92/90/562559290.db2.gz BVCDBYQKGBHDTG-UHFFFAOYSA-N -1 1 370.818 2.045 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(OC3CCC3)cc2Cl)[n-]1 ZINC000535473224 562559291 /nfs/dbraw/zinc/55/92/91/562559291.db2.gz BVCDBYQKGBHDTG-UHFFFAOYSA-N -1 1 370.818 2.045 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1csc(-c2ncccc2F)n1 ZINC000535809590 562568640 /nfs/dbraw/zinc/56/86/40/562568640.db2.gz KYNVHKAXULZTRS-UHFFFAOYSA-N -1 1 359.390 2.057 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c1 ZINC000535855204 562569725 /nfs/dbraw/zinc/56/97/25/562569725.db2.gz MERNNXPBSOEJBC-UHFFFAOYSA-N -1 1 353.378 2.231 20 0 FEADMM CC(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000536455329 562575955 /nfs/dbraw/zinc/57/59/55/562575955.db2.gz KCVOIBJQEMGZBE-UHFFFAOYSA-N -1 1 374.418 2.288 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000540728172 562592117 /nfs/dbraw/zinc/59/21/17/562592117.db2.gz QQLDSTTWJGOPQR-MNOVXSKESA-N -1 1 365.373 2.497 20 0 FEADMM Cc1ccsc1[C@@H](CO)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000540900809 562596048 /nfs/dbraw/zinc/59/60/48/562596048.db2.gz OYGYXRHAUKVVHX-CQSZACIVSA-N -1 1 374.466 2.204 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCCF)c1ccc(Cl)cc1Cl ZINC000541309122 562608561 /nfs/dbraw/zinc/60/85/61/562608561.db2.gz WMPZXQRSOOCMJR-LLVKDONJSA-N -1 1 358.218 2.487 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCn3nccc32)c1 ZINC000541665869 562617565 /nfs/dbraw/zinc/61/75/65/562617565.db2.gz RCDXFNVNODHVKG-UHFFFAOYSA-N -1 1 367.365 2.188 20 0 FEADMM O=C(NCC1(c2ccccc2)CCCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000546104374 562633808 /nfs/dbraw/zinc/63/38/08/562633808.db2.gz JEVLOULZVYJTRM-UHFFFAOYSA-N -1 1 351.410 2.050 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2N(C)C(C)C)co1 ZINC000550106747 562642530 /nfs/dbraw/zinc/64/25/30/562642530.db2.gz RTRDDICOIXSMQQ-UHFFFAOYSA-N -1 1 351.428 2.285 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(CCO)CC1CC1 ZINC000550140307 562643280 /nfs/dbraw/zinc/64/32/80/562643280.db2.gz CPFUIZLPHKGDGK-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(C2OCCO2)s1 ZINC000806537907 674380434 /nfs/dbraw/zinc/38/04/34/674380434.db2.gz XSYYSVCJFPVNOH-UHFFFAOYSA-N -1 1 357.395 2.081 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)o1 ZINC000555955414 674383325 /nfs/dbraw/zinc/38/33/25/674383325.db2.gz YXRMROWMZNFJSP-SNVBAGLBSA-N -1 1 371.436 2.458 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000602328628 567968919 /nfs/dbraw/zinc/96/89/19/567968919.db2.gz ITGUUDHKYPHFRJ-STQMWFEESA-N -1 1 372.425 2.452 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n[n-]1 ZINC000603157247 568068856 /nfs/dbraw/zinc/06/88/56/568068856.db2.gz VGYSWDXLDVXHHU-INTQDDNPSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)[n-]1 ZINC000603157247 568068857 /nfs/dbraw/zinc/06/88/57/568068857.db2.gz VGYSWDXLDVXHHU-INTQDDNPSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000603157247 568068858 /nfs/dbraw/zinc/06/88/58/568068858.db2.gz VGYSWDXLDVXHHU-INTQDDNPSA-N -1 1 364.352 2.241 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(C)c(C)c1 ZINC000603308593 568084502 /nfs/dbraw/zinc/08/45/02/568084502.db2.gz HDRWNUHCMNKDKQ-DZGCQCFKSA-N -1 1 361.410 2.482 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000617947560 568137539 /nfs/dbraw/zinc/13/75/39/568137539.db2.gz DSAWKBKVKDNQQA-GFCCVEGCSA-N -1 1 358.442 2.154 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000603779993 568166030 /nfs/dbraw/zinc/16/60/30/568166030.db2.gz OKEMMRPAMCXCGS-UHFFFAOYSA-N -1 1 351.362 2.360 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000603779993 568166032 /nfs/dbraw/zinc/16/60/32/568166032.db2.gz OKEMMRPAMCXCGS-UHFFFAOYSA-N -1 1 351.362 2.360 20 0 FEADMM NC(=O)CCOc1ccccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436480294 569966424 /nfs/dbraw/zinc/96/64/24/569966424.db2.gz ZSPCMBNVUCDEIH-UHFFFAOYSA-N -1 1 370.814 2.101 20 0 FEADMM Cc1cccc2c1CCCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737408585 598909333 /nfs/dbraw/zinc/90/93/33/598909333.db2.gz JXVSOLNNPWOGSJ-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM O=C1CCc2cc(Oc3c4ccccc4nnc3-c3nn[n-]n3)ccc2N1 ZINC000738301884 598956440 /nfs/dbraw/zinc/95/64/40/598956440.db2.gz FUBOAHQXPJFUJE-UHFFFAOYSA-N -1 1 359.349 2.487 20 0 FEADMM Cc1ccc2nc(CNc3c4ccccc4nnc3-c3nnn[n-]3)cn2c1 ZINC000737374110 598962460 /nfs/dbraw/zinc/96/24/60/598962460.db2.gz JZPHLVACRDQNJF-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM Cc1ccc2nc(CNc3c4ccccc4nnc3-c3nn[n-]n3)cn2c1 ZINC000737374110 598962461 /nfs/dbraw/zinc/96/24/61/598962461.db2.gz JZPHLVACRDQNJF-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000738389465 598977018 /nfs/dbraw/zinc/97/70/18/598977018.db2.gz XUOKGMFIRAXIFT-VIFPVBQESA-N -1 1 352.185 2.109 20 0 FEADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000738389465 598977020 /nfs/dbraw/zinc/97/70/20/598977020.db2.gz XUOKGMFIRAXIFT-VIFPVBQESA-N -1 1 352.185 2.109 20 0 FEADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738002942 598984169 /nfs/dbraw/zinc/98/41/69/598984169.db2.gz UVJWJRJEQOGMJF-KRWDZBQOSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738002942 598984171 /nfs/dbraw/zinc/98/41/71/598984171.db2.gz UVJWJRJEQOGMJF-KRWDZBQOSA-N -1 1 357.377 2.176 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(Cc2ccccc2)n1 ZINC000737275481 598988266 /nfs/dbraw/zinc/98/82/66/598988266.db2.gz WNJXXSFONNZYHD-UHFFFAOYSA-N -1 1 360.381 2.067 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(Cc2ccccc2)n1 ZINC000737275481 598988267 /nfs/dbraw/zinc/98/82/67/598988267.db2.gz WNJXXSFONNZYHD-UHFFFAOYSA-N -1 1 360.381 2.067 20 0 FEADMM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000737255646 598991060 /nfs/dbraw/zinc/99/10/60/598991060.db2.gz HXJCHJGPBJPJHF-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000737255646 598991062 /nfs/dbraw/zinc/99/10/62/598991062.db2.gz HXJCHJGPBJPJHF-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM C[C@@H]1SCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000736300901 599323870 /nfs/dbraw/zinc/32/38/70/599323870.db2.gz HIYZWEJRZHJEOK-IUCAKERBSA-N -1 1 373.891 2.035 20 0 FEADMM C[C@@H]1SCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC000736300901 599323873 /nfs/dbraw/zinc/32/38/73/599323873.db2.gz HIYZWEJRZHJEOK-IUCAKERBSA-N -1 1 373.891 2.035 20 0 FEADMM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145505 599001985 /nfs/dbraw/zinc/00/19/85/599001985.db2.gz RXMMEERXPRZQPZ-UHFFFAOYSA-N -1 1 373.380 2.177 20 0 FEADMM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145505 599001987 /nfs/dbraw/zinc/00/19/87/599001987.db2.gz RXMMEERXPRZQPZ-UHFFFAOYSA-N -1 1 373.380 2.177 20 0 FEADMM CC[C@H](NC(=S)NNc1oc(C)nc1-c1nn[n-]n1)c1cccs1 ZINC000736369653 599013857 /nfs/dbraw/zinc/01/38/57/599013857.db2.gz KEHOWTBHYBTYJU-QMMMGPOBSA-N -1 1 364.460 2.167 20 0 FEADMM CCSCC[C@@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821456108 599327148 /nfs/dbraw/zinc/32/71/48/599327148.db2.gz NGYVQBFSHVCKQA-SNVBAGLBSA-N -1 1 373.479 2.158 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCCC2(CCOCC2)C1 ZINC000823792346 599045319 /nfs/dbraw/zinc/04/53/19/599045319.db2.gz SUVZVFIOPWLZNL-UHFFFAOYSA-N -1 1 351.414 2.207 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCCC2(CCOCC2)C1 ZINC000823792346 599045322 /nfs/dbraw/zinc/04/53/22/599045322.db2.gz SUVZVFIOPWLZNL-UHFFFAOYSA-N -1 1 351.414 2.207 20 0 FEADMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccc(-c3nnn[n-]3)o1)N2 ZINC000821849533 599116395 /nfs/dbraw/zinc/11/63/95/599116395.db2.gz LLXUQXXMNMNTJS-INIZCTEOSA-N -1 1 352.354 2.197 20 0 FEADMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccc(-c3nn[n-]n3)o1)N2 ZINC000821849533 599116398 /nfs/dbraw/zinc/11/63/98/599116398.db2.gz LLXUQXXMNMNTJS-INIZCTEOSA-N -1 1 352.354 2.197 20 0 FEADMM CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736701583 599132066 /nfs/dbraw/zinc/13/20/66/599132066.db2.gz FHLFPTOXCMEPHI-LLVKDONJSA-N -1 1 366.381 2.008 20 0 FEADMM CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736701583 599132068 /nfs/dbraw/zinc/13/20/68/599132068.db2.gz FHLFPTOXCMEPHI-LLVKDONJSA-N -1 1 366.381 2.008 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737355631 599137066 /nfs/dbraw/zinc/13/70/66/599137066.db2.gz KOHWBCLFQLFTDU-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737355631 599137068 /nfs/dbraw/zinc/13/70/68/599137068.db2.gz KOHWBCLFQLFTDU-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM CC1CCN([C@@H](CNC(=O)CSCC(=O)[O-])c2cccs2)CC1 ZINC000551868480 597084573 /nfs/dbraw/zinc/08/45/73/597084573.db2.gz JNXXVWZQUUMGSG-ZDUSSCGKSA-N -1 1 356.513 2.455 20 0 FEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)N(C)C)c1 ZINC000818620701 597117118 /nfs/dbraw/zinc/11/71/18/597117118.db2.gz PFSWWDMSKDAYGU-YOEHRIQHSA-N -1 1 363.458 2.194 20 0 FEADMM OC[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)Cc1ccco1 ZINC000738391579 599266689 /nfs/dbraw/zinc/26/66/89/599266689.db2.gz YDEYIUAKCJSVPV-LBPRGKRZSA-N -1 1 350.382 2.271 20 0 FEADMM OC[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)Cc1ccco1 ZINC000738391579 599266691 /nfs/dbraw/zinc/26/66/91/599266691.db2.gz YDEYIUAKCJSVPV-LBPRGKRZSA-N -1 1 350.382 2.271 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cccc(F)c1F ZINC000823582968 607328100 /nfs/dbraw/zinc/32/81/00/607328100.db2.gz FHNULIACDBREOK-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM CN(CC(F)F)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821595166 607328567 /nfs/dbraw/zinc/32/85/67/607328567.db2.gz OGWJRCDGGMQYKT-UHFFFAOYSA-N -1 1 363.825 2.142 20 0 FEADMM CN(CC(F)F)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821595166 607328568 /nfs/dbraw/zinc/32/85/68/607328568.db2.gz OGWJRCDGGMQYKT-UHFFFAOYSA-N -1 1 363.825 2.142 20 0 FEADMM O=C([O-])c1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)c1 ZINC000821550420 598153609 /nfs/dbraw/zinc/15/36/09/598153609.db2.gz DVXINUCYWIWABL-UHFFFAOYSA-N -1 1 366.377 2.350 20 0 FEADMM CC(C)[C@@H](NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000820041372 598188545 /nfs/dbraw/zinc/18/85/45/598188545.db2.gz FFSBJCIIXPWVSS-SUMWQHHRSA-N -1 1 359.382 2.249 20 0 FEADMM Clc1ccc(NCCOc2ccc3c(c2)OCO3)nc1-c1nnn[n-]1 ZINC000737572978 598277211 /nfs/dbraw/zinc/27/72/11/598277211.db2.gz CCZOAKZESWJHCG-UHFFFAOYSA-N -1 1 360.761 2.135 20 0 FEADMM Clc1ccc(NCCOc2ccc3c(c2)OCO3)nc1-c1nn[n-]n1 ZINC000737572978 598277212 /nfs/dbraw/zinc/27/72/12/598277212.db2.gz CCZOAKZESWJHCG-UHFFFAOYSA-N -1 1 360.761 2.135 20 0 FEADMM CC(C)NC(=O)OC1CN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000807804187 674430401 /nfs/dbraw/zinc/43/04/01/674430401.db2.gz IYTRQPUYRFKGQA-UHFFFAOYSA-N -1 1 357.204 2.114 20 0 FEADMM Cn1c(Sc2nccnc2-c2nn[n-]n2)nnc1-c1ccccc1Cl ZINC000737594581 598339492 /nfs/dbraw/zinc/33/94/92/598339492.db2.gz ZSGDNRQXZDNYTR-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM c1ccc(COc2cc(CNc3nccnc3-c3nnn[n-]3)ccn2)cc1 ZINC000738432635 598345119 /nfs/dbraw/zinc/34/51/19/598345119.db2.gz KNRGTQPYVYNAFB-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM c1ccc(COc2cc(CNc3nccnc3-c3nn[n-]n3)ccn2)cc1 ZINC000738432635 598345121 /nfs/dbraw/zinc/34/51/21/598345121.db2.gz KNRGTQPYVYNAFB-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM O=C(CCCNc1nccnc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000737840937 598345719 /nfs/dbraw/zinc/34/57/19/598345719.db2.gz FVWFXXLYOJAEDW-UHFFFAOYSA-N -1 1 358.793 2.141 20 0 FEADMM O=C(CCCNc1nccnc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000737840937 598345720 /nfs/dbraw/zinc/34/57/20/598345720.db2.gz FVWFXXLYOJAEDW-UHFFFAOYSA-N -1 1 358.793 2.141 20 0 FEADMM Fc1ccc(CNc2nccnc2-c2nnn[n-]2)c(Br)c1 ZINC000737650322 598347019 /nfs/dbraw/zinc/34/70/19/598347019.db2.gz QQWJJJXVMYTZNI-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1ccc(CNc2nccnc2-c2nn[n-]n2)c(Br)c1 ZINC000737650322 598347020 /nfs/dbraw/zinc/34/70/20/598347020.db2.gz QQWJJJXVMYTZNI-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Clc1ccc(N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737577098 598348226 /nfs/dbraw/zinc/34/82/26/598348226.db2.gz ROZZEQWJSLHQRL-LLVKDONJSA-N -1 1 356.821 2.249 20 0 FEADMM Clc1ccc(N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737577098 598348228 /nfs/dbraw/zinc/34/82/28/598348228.db2.gz ROZZEQWJSLHQRL-LLVKDONJSA-N -1 1 356.821 2.249 20 0 FEADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820219252 607355408 /nfs/dbraw/zinc/35/54/08/607355408.db2.gz DSBNSVUNOTUBGO-GXFFZTMASA-N -1 1 355.423 2.392 20 0 FEADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820219252 607355410 /nfs/dbraw/zinc/35/54/10/607355410.db2.gz DSBNSVUNOTUBGO-GXFFZTMASA-N -1 1 355.423 2.392 20 0 FEADMM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736177805 598404596 /nfs/dbraw/zinc/40/45/96/598404596.db2.gz VMQCYMAKNHZSGA-ZCFIWIBFSA-N -1 1 368.184 2.060 20 0 FEADMM Cc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1C ZINC000737397956 598504064 /nfs/dbraw/zinc/50/40/64/598504064.db2.gz CNGIAMLISIIGRU-UHFFFAOYSA-N -1 1 374.404 2.437 20 0 FEADMM Cc1cccc2nc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)n(C)c21 ZINC000822340624 607359031 /nfs/dbraw/zinc/35/90/31/607359031.db2.gz AEYYOIPRLQZQJF-UHFFFAOYSA-N -1 1 353.411 2.053 20 0 FEADMM Cc1cccc2nc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)n(C)c21 ZINC000822340624 607359033 /nfs/dbraw/zinc/35/90/33/607359033.db2.gz AEYYOIPRLQZQJF-UHFFFAOYSA-N -1 1 353.411 2.053 20 0 FEADMM CC(C)CSCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735850016 598584743 /nfs/dbraw/zinc/58/47/43/598584743.db2.gz NILCPQGDVBNJQM-UHFFFAOYSA-N -1 1 357.443 2.380 20 0 FEADMM CC(C)CSCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735850016 598584745 /nfs/dbraw/zinc/58/47/45/598584745.db2.gz NILCPQGDVBNJQM-UHFFFAOYSA-N -1 1 357.443 2.380 20 0 FEADMM O=S(=O)(Oc1ccccc1Cl)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738348285 598685813 /nfs/dbraw/zinc/68/58/13/598685813.db2.gz TVHGUJBNDTUYHO-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM Cc1occc1CN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000822552943 607364804 /nfs/dbraw/zinc/36/48/04/607364804.db2.gz GFGPOXVPRWRACP-JTQLQIEISA-N -1 1 358.402 2.437 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(C1CC1)C1CCCCC1 ZINC000738354701 598690844 /nfs/dbraw/zinc/69/08/44/598690844.db2.gz JVEUMHXAAZESGY-UHFFFAOYSA-N -1 1 365.434 2.492 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c(C)c1 ZINC000808125232 674442871 /nfs/dbraw/zinc/44/28/71/674442871.db2.gz OMNBAKHERKOKAF-UHFFFAOYSA-N -1 1 361.375 2.253 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820981298 599345011 /nfs/dbraw/zinc/34/50/11/599345011.db2.gz QSAPWCOSRCFHJF-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820981298 599345012 /nfs/dbraw/zinc/34/50/12/599345012.db2.gz QSAPWCOSRCFHJF-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM C[C@H]1CCC[C@H](C)N(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820698995 599348824 /nfs/dbraw/zinc/34/88/24/599348824.db2.gz XGQJNXWYRUEMEU-QWRGUYRKSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820768228 599373985 /nfs/dbraw/zinc/37/39/85/599373985.db2.gz LTYIKFDMVDNVEQ-BDJLRTHQSA-N -1 1 373.413 2.388 20 0 FEADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736963867 599378992 /nfs/dbraw/zinc/37/89/92/599378992.db2.gz UTYFJPDSFULQDP-ZUZCIYMTSA-N -1 1 372.816 2.421 20 0 FEADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736963867 599378995 /nfs/dbraw/zinc/37/89/95/599378995.db2.gz UTYFJPDSFULQDP-ZUZCIYMTSA-N -1 1 372.816 2.421 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000821979839 599486878 /nfs/dbraw/zinc/48/68/78/599486878.db2.gz ZFSRAOHJLOEPBT-OUAUKWLOSA-N -1 1 374.470 2.388 20 0 FEADMM Cc1ccoc1C(=O)NCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737441764 599533344 /nfs/dbraw/zinc/53/33/44/599533344.db2.gz KLDNPOJHLKZAHX-UHFFFAOYSA-N -1 1 367.822 2.110 20 0 FEADMM Cc1ccoc1C(=O)NCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737441764 599533346 /nfs/dbraw/zinc/53/33/46/599533346.db2.gz KLDNPOJHLKZAHX-UHFFFAOYSA-N -1 1 367.822 2.110 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3cn4ccc(Br)cc4n3)ccnc1-2 ZINC000808784065 674472445 /nfs/dbraw/zinc/47/24/45/674472445.db2.gz OVFSOOLXCHPAGX-UHFFFAOYSA-N -1 1 371.198 2.004 20 0 FEADMM CN1CCN(c2ccc(Cl)cc2NC(=O)CCSCC(=O)[O-])CC1 ZINC000737529980 599744127 /nfs/dbraw/zinc/74/41/27/599744127.db2.gz QNJARIMNYSSQBY-UHFFFAOYSA-N -1 1 371.890 2.238 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)NC[C@H](c2ccccc2)N(C)C)c(C(=O)[O-])c1C ZINC000736180596 599758586 /nfs/dbraw/zinc/75/85/86/599758586.db2.gz HXQRATPGOHDQGL-MRXNPFEDSA-N -1 1 371.437 2.186 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000736204170 599893960 /nfs/dbraw/zinc/89/39/60/599893960.db2.gz HCBYSKOURQLNDB-MAUKXSAKSA-N -1 1 360.454 2.162 20 0 FEADMM C[C@H](CN(Cn1c(=O)oc2cc(Br)ccc21)C1CC1)C(=O)[O-] ZINC000736585016 599933992 /nfs/dbraw/zinc/93/39/92/599933992.db2.gz ZTLKUFWIEHJNQH-SECBINFHSA-N -1 1 369.215 2.500 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])c2cccnc12 ZINC000738063611 600176439 /nfs/dbraw/zinc/17/64/39/600176439.db2.gz CDDWYJFXAPTYDH-UHFFFAOYSA-N -1 1 361.379 2.379 20 0 FEADMM C[C@@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736596312 600345814 /nfs/dbraw/zinc/34/58/14/600345814.db2.gz UKMAYIHCUUWEDS-YJBOKZPZSA-N -1 1 371.481 2.330 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000738901526 600367185 /nfs/dbraw/zinc/36/71/85/600367185.db2.gz BQVDYQXPRIXEJG-IUODEOHRSA-N -1 1 358.442 2.469 20 0 FEADMM CCOc1ccc2nc(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])sc2c1 ZINC000737210922 600372915 /nfs/dbraw/zinc/37/29/15/600372915.db2.gz PJABJENUBLIWBZ-SNVBAGLBSA-N -1 1 351.428 2.286 20 0 FEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CC[C@@H](c2ccco2)C1 ZINC000739622291 600376107 /nfs/dbraw/zinc/37/61/07/600376107.db2.gz HRVUIJANOIBDRT-IAGOWNOFSA-N -1 1 354.406 2.107 20 0 FEADMM CN1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000737522992 600376876 /nfs/dbraw/zinc/37/68/76/600376876.db2.gz SCXOBXGULQXMGI-OLZOCXBDSA-N -1 1 355.232 2.175 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000738527040 600401412 /nfs/dbraw/zinc/40/14/12/600401412.db2.gz ZYXXUGJWRWRAOE-IBGZPJMESA-N -1 1 356.397 2.338 20 0 FEADMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736210219 600443421 /nfs/dbraw/zinc/44/34/21/600443421.db2.gz WZOPJVREMNSVTM-LSDHHAIUSA-N -1 1 372.469 2.386 20 0 FEADMM O=C([O-])Cn1cc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)cn1 ZINC000739911971 600530384 /nfs/dbraw/zinc/53/03/84/600530384.db2.gz RZFVOLYKWIYSDX-UHFFFAOYSA-N -1 1 365.411 2.090 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000740066295 600685497 /nfs/dbraw/zinc/68/54/97/600685497.db2.gz QXPFHDXTFKJULG-GWCFXTLKSA-N -1 1 370.327 2.134 20 0 FEADMM O=C([O-])[C@@H](N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1F ZINC000833165682 600754285 /nfs/dbraw/zinc/75/42/85/600754285.db2.gz BPCVEXDQZFRSEI-KUHUBIRLSA-N -1 1 372.396 2.221 20 0 FEADMM CCn1ncc2c1CCC[C@H]2N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000830450625 600759588 /nfs/dbraw/zinc/75/95/88/600759588.db2.gz DPBVWMAWYJOKDS-SUMWQHHRSA-N -1 1 370.453 2.273 20 0 FEADMM C[C@](O)(CN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736669498 600761613 /nfs/dbraw/zinc/76/16/13/600761613.db2.gz CBLIVHYHSCKOQK-WFASDCNBSA-N -1 1 361.225 2.232 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)c2=O)[nH+]1 ZINC000832962609 600780619 /nfs/dbraw/zinc/78/06/19/600780619.db2.gz ZAFUQCDNBBDTTQ-AWEZNQCLSA-N -1 1 351.362 2.242 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1)C(=O)[O-] ZINC000828718717 600852394 /nfs/dbraw/zinc/85/23/94/600852394.db2.gz NWFLUTAOYQTNFQ-XPYUAMARSA-N -1 1 362.470 2.190 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCC3)nc2)cs1 ZINC000320400520 600977827 /nfs/dbraw/zinc/97/78/27/600977827.db2.gz ACCCNCYHZZJZMO-UHFFFAOYSA-N -1 1 353.425 2.242 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000630222005 601091324 /nfs/dbraw/zinc/09/13/24/601091324.db2.gz BPHXWWIQDNUAKA-MRVWCRGKSA-N -1 1 352.381 2.076 20 0 FEADMM COc1ccccc1C[C@@H](C)CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221443 601096697 /nfs/dbraw/zinc/09/66/97/601096697.db2.gz ANABEPAEJKEOCK-CVEARBPZSA-N -1 1 362.470 2.271 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000630223188 601098397 /nfs/dbraw/zinc/09/83/97/601098397.db2.gz IKOROYQYOOPYFA-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000630221762 601100013 /nfs/dbraw/zinc/10/00/13/601100013.db2.gz BWOUTLDZHGDNHK-CQSZACIVSA-N -1 1 373.478 2.360 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000630221626 601100073 /nfs/dbraw/zinc/10/00/73/601100073.db2.gz AEDPXBYAAYIFTF-JHJVBQTASA-N -1 1 352.381 2.076 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000630221628 601100090 /nfs/dbraw/zinc/10/00/90/601100090.db2.gz AEDPXBYAAYIFTF-UPJWGTAASA-N -1 1 352.381 2.076 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2nc3ccccc3s2)CC1 ZINC000827355642 601106986 /nfs/dbraw/zinc/10/69/86/601106986.db2.gz LMRDSJZTXKLUIH-FMFIFOJESA-N -1 1 359.451 2.317 20 0 FEADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630224560 601107065 /nfs/dbraw/zinc/10/70/65/601107065.db2.gz PAWSWZGSLSVWJN-ZIAGYGMSSA-N -1 1 368.861 2.423 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000827369335 601127172 /nfs/dbraw/zinc/12/71/72/601127172.db2.gz VMAQZCRUEIAGQG-SNVBAGLBSA-N -1 1 371.340 2.021 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000827369015 601129984 /nfs/dbraw/zinc/12/99/84/601129984.db2.gz MATVIALGBNZVNC-AWEZNQCLSA-N -1 1 360.458 2.082 20 0 FEADMM CCCNC(=O)C1(NCC(=O)Nc2cccc(C(=O)[O-])c2)CCCCC1 ZINC000829507597 601133008 /nfs/dbraw/zinc/13/30/08/601133008.db2.gz AQXOIHKMLNXLJV-UHFFFAOYSA-N -1 1 361.442 2.142 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000831962088 601173607 /nfs/dbraw/zinc/17/36/07/601173607.db2.gz USPYWXBPHASUPV-CWTRNNRKSA-N -1 1 364.442 2.032 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000831962091 601173806 /nfs/dbraw/zinc/17/38/06/601173806.db2.gz USPYWXBPHASUPV-HXPMCKFVSA-N -1 1 364.442 2.032 20 0 FEADMM Cc1oc(S(=O)(=O)N(CCN(C)C)CC2CCCCC2)cc1C(=O)[O-] ZINC000833027453 601222789 /nfs/dbraw/zinc/22/27/89/601222789.db2.gz XQYDLZKEDLMOKO-UHFFFAOYSA-N -1 1 372.487 2.419 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)N1CCC(C)CC1 ZINC000828286434 601228471 /nfs/dbraw/zinc/22/84/71/601228471.db2.gz UDKUKUOYKZZKGJ-GTBONMDNSA-N -1 1 366.483 2.183 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1C(=O)N(C)C ZINC000832950720 601250911 /nfs/dbraw/zinc/25/09/11/601250911.db2.gz XATIXJBJEMZDLC-UHFFFAOYSA-N -1 1 368.436 2.257 20 0 FEADMM CCC1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000327704002 601260348 /nfs/dbraw/zinc/26/03/48/601260348.db2.gz OTDPELRJJHYMGM-UHFFFAOYSA-N -1 1 374.390 2.436 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000729664632 601329853 /nfs/dbraw/zinc/32/98/53/601329853.db2.gz SVMBFBRCJIFURQ-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1F ZINC000832034067 601490046 /nfs/dbraw/zinc/49/00/46/601490046.db2.gz OPQNHJASIXUFDA-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM COC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000831585264 601490659 /nfs/dbraw/zinc/49/06/59/601490659.db2.gz LEQFRIMHAJBFGX-QGZVFWFLSA-N -1 1 366.439 2.494 20 0 FEADMM COc1cc(NC(=O)NC[C@H]2CCCSC2)ccc1[N-]S(C)(=O)=O ZINC000558339987 674491778 /nfs/dbraw/zinc/49/17/78/674491778.db2.gz JTQZMUVHFUUTGI-LLVKDONJSA-N -1 1 373.500 2.331 20 0 FEADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C[C@@H]1C(=O)[O-] ZINC000828349495 601648088 /nfs/dbraw/zinc/64/80/88/601648088.db2.gz PHTQAZAEJCNQBT-GUYCJALGSA-N -1 1 363.433 2.152 20 0 FEADMM COCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000831813020 601729510 /nfs/dbraw/zinc/72/95/10/601729510.db2.gz JSMRREOXNIYQOK-FQEVSTJZSA-N -1 1 372.421 2.275 20 0 FEADMM CCCc1nc([C@H]2CN(C(=O)Nc3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000829571455 601778941 /nfs/dbraw/zinc/77/89/41/601778941.db2.gz SEVAEPCERKBZSZ-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3cccc(C(=O)[O-])c3)CCO2)n1 ZINC000829571455 601778943 /nfs/dbraw/zinc/77/89/43/601778943.db2.gz SEVAEPCERKBZSZ-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3cccc(NC(=O)[O-])c3)CCO2)n[nH]1 ZINC000829571444 601781269 /nfs/dbraw/zinc/78/12/69/601781269.db2.gz RXIZBMFOOLVDKV-ZDUSSCGKSA-N -1 1 374.401 2.453 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cccc(NC(=O)[O-])c3)CCO2)n1 ZINC000829571444 601781270 /nfs/dbraw/zinc/78/12/70/601781270.db2.gz RXIZBMFOOLVDKV-ZDUSSCGKSA-N -1 1 374.401 2.453 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)c2)CC1 ZINC000830954740 601786210 /nfs/dbraw/zinc/78/62/10/601786210.db2.gz HSUFIFVUQYBLJE-IBGZPJMESA-N -1 1 373.497 2.197 20 0 FEADMM Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2c[n-]c(C(=O)[O-])c2)cc1 ZINC000833009458 601800346 /nfs/dbraw/zinc/80/03/46/601800346.db2.gz VVKTWRRFXNHWPA-NSHDSACASA-N -1 1 374.422 2.247 20 0 FEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000565106013 601821389 /nfs/dbraw/zinc/82/13/89/601821389.db2.gz WTUVJZVXARDAJF-JTQLQIEISA-N -1 1 354.453 2.287 20 0 FEADMM COc1ccc(-c2csc(NC(=O)CN[C@H](C(=O)[O-])C(C)C)n2)cc1 ZINC000832124509 601824219 /nfs/dbraw/zinc/82/42/19/601824219.db2.gz PQJWFQPUPQYDKE-HNNXBMFYSA-N -1 1 363.439 2.456 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000662217032 601843371 /nfs/dbraw/zinc/84/33/71/601843371.db2.gz CLYBQXVEOVEXCO-UHFFFAOYSA-N -1 1 370.453 2.065 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000828020588 601850044 /nfs/dbraw/zinc/85/00/44/601850044.db2.gz TZNGEHZSXQWKRZ-MLGOLLRUSA-N -1 1 370.327 2.134 20 0 FEADMM C[C@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000828019682 601850112 /nfs/dbraw/zinc/85/01/12/601850112.db2.gz AMSVYSQDGAGRKG-LRDDRELGSA-N -1 1 370.327 2.134 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000826487517 607531421 /nfs/dbraw/zinc/53/14/21/607531421.db2.gz QSWVONBNWQDBMP-UHFFFAOYSA-N -1 1 353.766 2.028 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000826487517 607531424 /nfs/dbraw/zinc/53/14/24/607531424.db2.gz QSWVONBNWQDBMP-UHFFFAOYSA-N -1 1 353.766 2.028 20 0 FEADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000738893321 601954788 /nfs/dbraw/zinc/95/47/88/601954788.db2.gz XTGYZRDPGNDKFR-NVXWUHKLSA-N -1 1 359.470 2.403 20 0 FEADMM Cn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccc(F)cc1 ZINC000826356198 607537770 /nfs/dbraw/zinc/53/77/70/607537770.db2.gz GCISSUFPRBLBNZ-UHFFFAOYSA-N -1 1 368.401 2.489 20 0 FEADMM Cn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccc(F)cc1 ZINC000826356198 607537771 /nfs/dbraw/zinc/53/77/71/607537771.db2.gz GCISSUFPRBLBNZ-UHFFFAOYSA-N -1 1 368.401 2.489 20 0 FEADMM Cc1nnc(SCc2ccnc(-c3nnn[n-]3)c2)n1-c1ccccc1 ZINC000826337715 607538174 /nfs/dbraw/zinc/53/81/74/607538174.db2.gz YRTUCFOXSIZAJZ-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM Cc1nnc(SCc2ccnc(-c3nn[n-]n3)c2)n1-c1ccccc1 ZINC000826337715 607538176 /nfs/dbraw/zinc/53/81/76/607538176.db2.gz YRTUCFOXSIZAJZ-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM Cc1ccc(Br)c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832909784 602024835 /nfs/dbraw/zinc/02/48/35/602024835.db2.gz QBONZKNZNRIZNZ-GFCCVEGCSA-N -1 1 369.259 2.379 20 0 FEADMM O=C([O-])N(CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000740437953 602074781 /nfs/dbraw/zinc/07/47/81/602074781.db2.gz WPYLCIYSYAPNQD-HNNXBMFYSA-N -1 1 364.446 2.248 20 0 FEADMM O=C([O-])c1cccc(-c2nc(COC(=O)CCc3nc[nH]n3)cs2)c1 ZINC000833104190 602089420 /nfs/dbraw/zinc/08/94/20/602089420.db2.gz CRQUPDVKUDTCMQ-UHFFFAOYSA-N -1 1 358.379 2.302 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccco1 ZINC000739405314 602144973 /nfs/dbraw/zinc/14/49/73/602144973.db2.gz BFQUDCXZEZRIQP-HUUCEWRRSA-N -1 1 366.462 2.352 20 0 FEADMM COc1coc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1=O ZINC000832643313 602202404 /nfs/dbraw/zinc/20/24/04/602202404.db2.gz ZWSGXUKDFSXIBM-AWEZNQCLSA-N -1 1 368.183 2.326 20 0 FEADMM Cc1ccc(CC(=O)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)cc1 ZINC000740123636 602267250 /nfs/dbraw/zinc/26/72/50/602267250.db2.gz OBYKQOMYVJUYKH-UHFFFAOYSA-N -1 1 359.470 2.072 20 0 FEADMM COc1ccccc1CN(C)C(=O)CN1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000739977460 602275038 /nfs/dbraw/zinc/27/50/38/602275038.db2.gz ZZCSBFIDLWGXEB-HOCLYGCPSA-N -1 1 363.458 2.164 20 0 FEADMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1 ZINC000833297755 602319437 /nfs/dbraw/zinc/31/94/37/602319437.db2.gz UJPOEHUYPCQWCP-UHFFFAOYSA-N -1 1 352.759 2.110 20 0 FEADMM CN(C)[C@@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)c1cccc(F)c1 ZINC000739604035 602351357 /nfs/dbraw/zinc/35/13/57/602351357.db2.gz WIUGAZVXKRPUGJ-MOQPWLNLSA-N -1 1 351.422 2.371 20 0 FEADMM CN(CC1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000739658734 602387933 /nfs/dbraw/zinc/38/79/33/602387933.db2.gz BDXJXTJOZQZFGR-UHFFFAOYSA-N -1 1 367.877 2.321 20 0 FEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739055174 602450739 /nfs/dbraw/zinc/45/07/39/602450739.db2.gz FOQMIWWRDFHJCQ-ZIAGYGMSSA-N -1 1 354.472 2.473 20 0 FEADMM COc1ccc(NC(=O)[C@H]2CCCN2C[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739921738 602451989 /nfs/dbraw/zinc/45/19/89/602451989.db2.gz SKILVZZORNPGDH-RHSMWYFYSA-N -1 1 361.442 2.488 20 0 FEADMM C[C@@H](NC(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1Cl ZINC000738963070 602538512 /nfs/dbraw/zinc/53/85/12/602538512.db2.gz VSZAVFAZERKVEA-OLZOCXBDSA-N -1 1 353.850 2.449 20 0 FEADMM Cc1nn(C)c2nc(Cl)c(CN3CC[C@@H](CN(C)C(=O)[O-])C3)cc12 ZINC000740257470 602543504 /nfs/dbraw/zinc/54/35/04/602543504.db2.gz UVIWHUVWFIVRQZ-NSHDSACASA-N -1 1 351.838 2.362 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736653182 602575587 /nfs/dbraw/zinc/57/55/87/602575587.db2.gz UUHBBKBHKSWSIS-JTQLQIEISA-N -1 1 367.365 2.410 20 0 FEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000738924279 602619487 /nfs/dbraw/zinc/61/94/87/602619487.db2.gz DAVADRJDCGMDAF-CYBMUJFWSA-N -1 1 366.437 2.088 20 0 FEADMM O=C([O-])NCc1cccc(NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000740679695 602656308 /nfs/dbraw/zinc/65/63/08/602656308.db2.gz MKRHUJHMYGMPHJ-UHFFFAOYSA-N -1 1 364.379 2.026 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000739605778 602698940 /nfs/dbraw/zinc/69/89/40/602698940.db2.gz COGBMVRWQAEOOE-OCCSQVGLSA-N -1 1 354.476 2.040 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000738963354 602770582 /nfs/dbraw/zinc/77/05/82/602770582.db2.gz XDBUVMOEJSSTGJ-SLEUVZQESA-N -1 1 353.850 2.495 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739180701 602777174 /nfs/dbraw/zinc/77/71/74/602777174.db2.gz ZKVHLIOINOIFAZ-DVOMOZLQSA-N -1 1 351.422 2.151 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)ccc1F ZINC000739609736 602808193 /nfs/dbraw/zinc/80/81/93/602808193.db2.gz FJUJFUYUHPYCGG-HNNXBMFYSA-N -1 1 366.437 2.219 20 0 FEADMM CCN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825394625 607590472 /nfs/dbraw/zinc/59/04/72/607590472.db2.gz FWXJOKSCBZJWED-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM CCN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825394625 607590473 /nfs/dbraw/zinc/59/04/73/607590473.db2.gz FWXJOKSCBZJWED-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)NC(=O)[O-] ZINC000824624238 602938478 /nfs/dbraw/zinc/93/84/78/602938478.db2.gz YMKRQQYGXWYOGB-FZMZJTMJSA-N -1 1 373.375 2.442 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826283688 607596084 /nfs/dbraw/zinc/59/60/84/607596084.db2.gz XMSJSKWOMGCOIB-VIFPVBQESA-N -1 1 367.431 2.415 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826283688 607596086 /nfs/dbraw/zinc/59/60/86/607596086.db2.gz XMSJSKWOMGCOIB-VIFPVBQESA-N -1 1 367.431 2.415 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1cccs1 ZINC000739608910 602955640 /nfs/dbraw/zinc/95/56/40/602955640.db2.gz RINAEJPVGWNQJV-OLZOCXBDSA-N -1 1 354.476 2.183 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)CC(C)(C)NC(=O)[O-])N1CCCC1 ZINC000739955848 603013662 /nfs/dbraw/zinc/01/36/62/603013662.db2.gz CSIKVIMKIQCUJQ-OAHLLOKOSA-N -1 1 363.458 2.385 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000823865559 603078543 /nfs/dbraw/zinc/07/85/43/603078543.db2.gz XKIGJVLKQRSIJW-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)CCO2)[nH]1 ZINC000823865559 603078547 /nfs/dbraw/zinc/07/85/47/603078547.db2.gz XKIGJVLKQRSIJW-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000739206397 603132176 /nfs/dbraw/zinc/13/21/76/603132176.db2.gz YLJAXGIKLBUTNZ-GUTXKFCHSA-N -1 1 365.430 2.036 20 0 FEADMM C[C@@H]1Cc2ccccc2[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825013797 607613039 /nfs/dbraw/zinc/61/30/39/607613039.db2.gz RRYZKDGZDPWNGQ-HWPZZCPQSA-N -1 1 373.413 2.218 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)N(C)C)c1 ZINC000739946385 603232811 /nfs/dbraw/zinc/23/28/11/603232811.db2.gz UBNTVFHKDASICC-UXLLHSPISA-N -1 1 363.458 2.241 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])cc1 ZINC000739909793 603236503 /nfs/dbraw/zinc/23/65/03/603236503.db2.gz QTXSIXRSBYPFGD-PBHICJAKSA-N -1 1 363.458 2.164 20 0 FEADMM O=C([O-])N[C@@H](C(=O)N1CCN(CC2CC2)CC1)c1cccc(Cl)c1 ZINC000740530299 603283949 /nfs/dbraw/zinc/28/39/49/603283949.db2.gz OVJKSJSAWAYLLB-OAHLLOKOSA-N -1 1 351.834 2.203 20 0 FEADMM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000740528667 603290999 /nfs/dbraw/zinc/29/09/99/603290999.db2.gz CORPYNCSYVMDFZ-HNNXBMFYSA-N -1 1 358.442 2.425 20 0 FEADMM Cc1cc(Br)ccc1CN(C)C(=O)CCCc1nn[n-]n1 ZINC000635859338 677108570 /nfs/dbraw/zinc/10/85/70/677108570.db2.gz PBYLXFBBFXTVPY-UHFFFAOYSA-N -1 1 352.236 2.252 20 0 FEADMM CCN(CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000739392504 603421467 /nfs/dbraw/zinc/42/14/67/603421467.db2.gz KVYFLKSNXZCGJS-UHFFFAOYSA-N -1 1 353.850 2.421 20 0 FEADMM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000832264312 603495972 /nfs/dbraw/zinc/49/59/72/603495972.db2.gz ZJBQRRWRLRMWSW-RHSMWYFYSA-N -1 1 363.433 2.343 20 0 FEADMM C[C@H](NC(=O)Nc1cnn(-c2ccncc2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825170836 603556160 /nfs/dbraw/zinc/55/61/60/603556160.db2.gz DZGSYVYGGWXGEP-STQMWFEESA-N -1 1 358.402 2.167 20 0 FEADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000832512585 603556997 /nfs/dbraw/zinc/55/69/97/603556997.db2.gz GBXSBMBHNQAVRJ-DOMZBBRYSA-N -1 1 358.402 2.215 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000832668523 603585010 /nfs/dbraw/zinc/58/50/10/603585010.db2.gz NCEDPRITQRQQQT-UHFFFAOYSA-N -1 1 373.413 2.468 20 0 FEADMM C[C@@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824843808 607646988 /nfs/dbraw/zinc/64/69/88/607646988.db2.gz KTENOQLLNIWZKG-PBHICJAKSA-N -1 1 373.413 2.014 20 0 FEADMM C[C@@]1(c2ccccc2)C[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824843808 607646990 /nfs/dbraw/zinc/64/69/90/607646990.db2.gz KTENOQLLNIWZKG-PBHICJAKSA-N -1 1 373.413 2.014 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCc3ccncc3)cc2)n1 ZINC000832730524 603736366 /nfs/dbraw/zinc/73/63/66/603736366.db2.gz SZRHUVNTZXGCNL-UHFFFAOYSA-N -1 1 366.381 2.206 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCc3ccncc3)cc2)n[nH]1 ZINC000832730524 603736367 /nfs/dbraw/zinc/73/63/67/603736367.db2.gz SZRHUVNTZXGCNL-UHFFFAOYSA-N -1 1 366.381 2.206 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488175 607649468 /nfs/dbraw/zinc/64/94/68/607649468.db2.gz JTQRQGHKSCJGST-IJLUTSLNSA-N -1 1 365.434 2.253 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488175 607649470 /nfs/dbraw/zinc/64/94/70/607649470.db2.gz JTQRQGHKSCJGST-IJLUTSLNSA-N -1 1 365.434 2.253 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000825221259 604037807 /nfs/dbraw/zinc/03/78/07/604037807.db2.gz YQXPYCPWMRNWQJ-MJBXVCDLSA-N -1 1 368.503 2.429 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000825264654 604195620 /nfs/dbraw/zinc/19/56/20/604195620.db2.gz MLDAYKFYVJSPHU-JSGCOSHPSA-N -1 1 353.850 2.324 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000825253000 604251940 /nfs/dbraw/zinc/25/19/40/604251940.db2.gz HOOVOTWAXJNCAD-YDHLFZDLSA-N -1 1 351.422 2.199 20 0 FEADMM Cc1ccc(OCCCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000832950449 604299646 /nfs/dbraw/zinc/29/96/46/604299646.db2.gz BOLMIVLHLTWHAA-QGZVFWFLSA-N -1 1 362.470 2.470 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000832907753 604307792 /nfs/dbraw/zinc/30/77/92/604307792.db2.gz LDJZLCNWKQPRMD-AAEUAGOBSA-N -1 1 360.439 2.051 20 0 FEADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000832041707 604466047 /nfs/dbraw/zinc/46/60/47/604466047.db2.gz YYXOCLCAVVKUDX-RHSMWYFYSA-N -1 1 364.442 2.066 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN(C)CCN1C(=O)c2ccccc2C1=O ZINC000833678960 604485513 /nfs/dbraw/zinc/48/55/13/604485513.db2.gz STXVYOSDQSOWFK-UHFFFAOYSA-N -1 1 356.378 2.268 20 0 FEADMM CC(C)[C@H]1CN(C)CCN1C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825383529 604615435 /nfs/dbraw/zinc/61/54/35/604615435.db2.gz TXPRRTLOONLQOC-RHSMWYFYSA-N -1 1 362.474 2.497 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C ZINC000832468517 604624402 /nfs/dbraw/zinc/62/44/02/604624402.db2.gz GIIHEEZIBFPLPR-UHFFFAOYSA-N -1 1 356.425 2.278 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])C2)n[nH]1 ZINC000830732455 604645784 /nfs/dbraw/zinc/64/57/84/604645784.db2.gz CCDSDFDVSQKVMY-TUVASFSCSA-N -1 1 361.446 2.130 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H]3CC(=O)[O-])n2)cc1 ZINC000832908199 604665592 /nfs/dbraw/zinc/66/55/92/604665592.db2.gz TXQYLVZWXIDLTD-ZDUSSCGKSA-N -1 1 360.439 2.338 20 0 FEADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-])N1CCCCC1 ZINC000833460175 604683223 /nfs/dbraw/zinc/68/32/23/604683223.db2.gz YHAOMWUSNKPDQF-UHFFFAOYSA-N -1 1 358.435 2.067 20 0 FEADMM C[C@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824710500 604741488 /nfs/dbraw/zinc/74/14/88/604741488.db2.gz JCSIZODIBINAID-LLVKDONJSA-N -1 1 358.402 2.221 20 0 FEADMM O=C([O-])[C@H](O)C1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000833771209 604763197 /nfs/dbraw/zinc/76/31/97/604763197.db2.gz XUGFHEGPJKDFOP-MRXNPFEDSA-N -1 1 351.353 2.012 20 0 FEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000833623232 604784254 /nfs/dbraw/zinc/78/42/54/604784254.db2.gz JBISELHAFNUMLR-HLLBOEOZSA-N -1 1 360.454 2.028 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)[nH]c2c1 ZINC000830433531 604789446 /nfs/dbraw/zinc/78/94/46/604789446.db2.gz VZDHSONFDJNYGN-CZUORRHYSA-N -1 1 372.425 2.304 20 0 FEADMM CCCCn1ncc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C ZINC000833651732 604854818 /nfs/dbraw/zinc/85/48/18/604854818.db2.gz XNWZSEOUETWBOJ-CYBMUJFWSA-N -1 1 351.451 2.004 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000833416641 604856886 /nfs/dbraw/zinc/85/68/86/604856886.db2.gz CCMFEHFNFWCEFJ-SWLSCSKDSA-N -1 1 362.401 2.280 20 0 FEADMM CC[C@]1(C(C)C)NC(=O)N(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833645524 604868911 /nfs/dbraw/zinc/86/89/11/604868911.db2.gz HQLTWJOOXKCLIE-SCLBCKFNSA-N -1 1 353.463 2.123 20 0 FEADMM O=C([O-])c1cncc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033811058 604888364 /nfs/dbraw/zinc/88/83/64/604888364.db2.gz YWWWMYYPBVWODO-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000833767908 604899754 /nfs/dbraw/zinc/89/97/54/604899754.db2.gz URLKKXSDUPZQLE-ZDUSSCGKSA-N -1 1 360.757 2.144 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCC3(CC3)CC2)cc(C(=O)[O-])c1 ZINC000833712225 604932458 /nfs/dbraw/zinc/93/24/58/604932458.db2.gz ASSAGYWAXWWNTF-GFCCVEGCSA-N -1 1 360.410 2.374 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000833552186 604942343 /nfs/dbraw/zinc/94/23/43/604942343.db2.gz XJCJPASHCIVRKJ-ZDUSSCGKSA-N -1 1 354.410 2.130 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000820199946 604945780 /nfs/dbraw/zinc/94/57/80/604945780.db2.gz QSLIWILHVDINHQ-CQSZACIVSA-N -1 1 360.458 2.113 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C12CCCC2 ZINC000833662248 604952633 /nfs/dbraw/zinc/95/26/33/604952633.db2.gz ZHWZEXBWEPVLDW-HRCADAONSA-N -1 1 354.491 2.272 20 0 FEADMM O=C([O-])C[C@H]1CCCN1CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000833210291 604982407 /nfs/dbraw/zinc/98/24/07/604982407.db2.gz GWTUQFSPPKMYLT-QRWLVFNGSA-N -1 1 371.437 2.057 20 0 FEADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596787 605047216 /nfs/dbraw/zinc/04/72/16/605047216.db2.gz GDPSLNPLQQKASA-HOCLYGCPSA-N -1 1 374.462 2.326 20 0 FEADMM CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000833445354 605080989 /nfs/dbraw/zinc/08/09/89/605080989.db2.gz TUFTUAYPHDSFLM-AWEZNQCLSA-N -1 1 374.397 2.182 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000833622286 605098819 /nfs/dbraw/zinc/09/88/19/605098819.db2.gz AKLBDUBDMVDOHC-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833541625 605108021 /nfs/dbraw/zinc/10/80/21/605108021.db2.gz CTSLJZMQSNXLCS-STQMWFEESA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000833626973 605109459 /nfs/dbraw/zinc/10/94/59/605109459.db2.gz UEHPNFTUYQJRAK-LBPRGKRZSA-N -1 1 374.359 2.249 20 0 FEADMM COc1ccc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)CCC2)cc1 ZINC000833730807 605169882 /nfs/dbraw/zinc/16/98/82/605169882.db2.gz FFBZOXUYZBDUKW-HNNXBMFYSA-N -1 1 360.454 2.124 20 0 FEADMM C[C@@H]1CN(C(=O)NCCSCC(=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC000833624706 605173583 /nfs/dbraw/zinc/17/35/83/605173583.db2.gz URMFDXMMBGRWOG-HUUCEWRRSA-N -1 1 365.499 2.109 20 0 FEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1C1CCCCC1 ZINC000833742850 605182385 /nfs/dbraw/zinc/18/23/85/605182385.db2.gz YBAUAMQCHYJBPG-CQSZACIVSA-N -1 1 362.474 2.318 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])nc1 ZINC000833733121 605183156 /nfs/dbraw/zinc/18/31/56/605183156.db2.gz HIRFLVBHNSVXNU-UHFFFAOYSA-N -1 1 359.363 2.137 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000833469883 605266260 /nfs/dbraw/zinc/26/62/60/605266260.db2.gz ZUDAZVUNIUIREO-GJZGRUSLSA-N -1 1 371.441 2.470 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000833469883 605266263 /nfs/dbraw/zinc/26/62/63/605266263.db2.gz ZUDAZVUNIUIREO-GJZGRUSLSA-N -1 1 371.441 2.470 20 0 FEADMM CCC(CC)n1nc(C)cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833642098 605268448 /nfs/dbraw/zinc/26/84/48/605268448.db2.gz ZPGBFALHMWSERT-CQSZACIVSA-N -1 1 350.463 2.174 20 0 FEADMM C[C@@H]1CN(C(=O)/C=C\c2ccnc3ccccc23)CCN1CCC(=O)[O-] ZINC000833617501 605276621 /nfs/dbraw/zinc/27/66/21/605276621.db2.gz DDPMJWRFJKDIRU-IDTUSYRASA-N -1 1 353.422 2.255 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CCCS(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000834178282 605451694 /nfs/dbraw/zinc/45/16/94/605451694.db2.gz DXMJLQMEFCDWRB-BHYGNILZSA-N -1 1 366.483 2.219 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CCCS(=O)(=O)c3ccccc3)C[C@H]21 ZINC000834178283 605451934 /nfs/dbraw/zinc/45/19/34/605451934.db2.gz DXMJLQMEFCDWRB-DJIMGWMZSA-N -1 1 366.483 2.219 20 0 FEADMM O=C([O-])N1CCC(CCN2CCC[C@H]2C(=O)Nc2nccs2)CC1 ZINC000834059353 605510379 /nfs/dbraw/zinc/51/03/79/605510379.db2.gz RQTGBWLRNRQDPU-ZDUSSCGKSA-N -1 1 352.460 2.326 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000825816133 605552420 /nfs/dbraw/zinc/55/24/20/605552420.db2.gz HJDDBTIVQQFAAR-KCXAZCMYSA-N -1 1 366.437 2.259 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000825823908 605560291 /nfs/dbraw/zinc/56/02/91/605560291.db2.gz OZHBSUMFHIBHLZ-CJNGLKHVSA-N -1 1 366.437 2.088 20 0 FEADMM Cc1occc1C(=O)NC1CCN(Cc2ccc(NC(=O)[O-])nc2)CC1 ZINC000833938629 605587500 /nfs/dbraw/zinc/58/75/00/605587500.db2.gz KYUSUCMGPUANGV-UHFFFAOYSA-N -1 1 358.398 2.467 20 0 FEADMM O=C([O-])Nc1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cn1 ZINC000834260070 605704395 /nfs/dbraw/zinc/70/43/95/605704395.db2.gz KPKIQFAIQXBSRT-NSHDSACASA-N -1 1 362.336 2.345 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(C3CC3)[C@H]3CCN(C(=O)[O-])C3)n[nH]2)cc1 ZINC000829234754 605792116 /nfs/dbraw/zinc/79/21/16/605792116.db2.gz SNGIBPVNTLVFJQ-AWEZNQCLSA-N -1 1 370.409 2.442 20 0 FEADMM O=C([O-])N1CCN(c2ccc(NCc3[nH]nc4ccccc43)nc2)CC1 ZINC000832042184 605864642 /nfs/dbraw/zinc/86/46/42/605864642.db2.gz KOWNSQHLKHUBNY-UHFFFAOYSA-N -1 1 352.398 2.370 20 0 FEADMM Cc1oc(-c2ccccc2)nc1CONC(=N)[C@H]1COCCN1C(=O)[O-] ZINC000833936356 605924432 /nfs/dbraw/zinc/92/44/32/605924432.db2.gz OLSWPEWUXPBEGZ-CQSZACIVSA-N -1 1 360.370 2.027 20 0 FEADMM O=C([O-])N[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000834145316 605932867 /nfs/dbraw/zinc/93/28/67/605932867.db2.gz NZDSSWOKESVYSW-GJZGRUSLSA-N -1 1 364.446 2.152 20 0 FEADMM O=C([O-])N1CCCC[C@H]1CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000834110014 605982071 /nfs/dbraw/zinc/98/20/71/605982071.db2.gz VKIYYUSKDPSQKB-JSGCOSHPSA-N -1 1 356.419 2.166 20 0 FEADMM CC(C)C[C@H](CNC(=O)[O-])N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000833796052 605983149 /nfs/dbraw/zinc/98/31/49/605983149.db2.gz SLSHWLKKDFLDPX-TZMCWYRMSA-N -1 1 358.435 2.316 20 0 FEADMM CNC(=O)c1cccc(CN[C@@H](C)c2ccc(CNC(=O)[O-])nc2C)c1 ZINC000833876228 605988265 /nfs/dbraw/zinc/98/82/65/605988265.db2.gz CRQXHEPOIXQLKZ-LBPRGKRZSA-N -1 1 356.426 2.368 20 0 FEADMM O=C([O-])NC1CCC(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834162727 606094575 /nfs/dbraw/zinc/09/45/75/606094575.db2.gz GMOZMVZQCSGENT-ROKHWSDSSA-N -1 1 361.446 2.215 20 0 FEADMM CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000821564188 606137496 /nfs/dbraw/zinc/13/74/96/606137496.db2.gz WMNPDPWZVJLOFF-UHFFFAOYSA-N -1 1 359.411 2.406 20 0 FEADMM CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000821564188 606137498 /nfs/dbraw/zinc/13/74/98/606137498.db2.gz WMNPDPWZVJLOFF-UHFFFAOYSA-N -1 1 359.411 2.406 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)C1CCC1 ZINC000822459602 606156797 /nfs/dbraw/zinc/15/67/97/606156797.db2.gz TYNFVTHNXXFZTM-LBPRGKRZSA-N -1 1 369.429 2.191 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)C1CCC1 ZINC000822459602 606156799 /nfs/dbraw/zinc/15/67/99/606156799.db2.gz TYNFVTHNXXFZTM-LBPRGKRZSA-N -1 1 369.429 2.191 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCc3c2cccc3Cl)n1 ZINC000822613114 606168730 /nfs/dbraw/zinc/16/87/30/606168730.db2.gz AQWPJLZXAVXOEI-GFCCVEGCSA-N -1 1 358.793 2.063 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCc3c2cccc3Cl)n1 ZINC000822613114 606168732 /nfs/dbraw/zinc/16/87/32/606168732.db2.gz AQWPJLZXAVXOEI-GFCCVEGCSA-N -1 1 358.793 2.063 20 0 FEADMM CN(Cc1c(F)cccc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821607374 606169941 /nfs/dbraw/zinc/16/99/41/606169941.db2.gz LZGGQUPXJKGPKT-UHFFFAOYSA-N -1 1 364.772 2.057 20 0 FEADMM CN(Cc1c(F)cccc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821607374 606169943 /nfs/dbraw/zinc/16/99/43/606169943.db2.gz LZGGQUPXJKGPKT-UHFFFAOYSA-N -1 1 364.772 2.057 20 0 FEADMM Cc1ccc(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822227695 606169954 /nfs/dbraw/zinc/16/99/54/606169954.db2.gz RVLJCHKESPSRPW-UHFFFAOYSA-N -1 1 354.418 2.008 20 0 FEADMM Cc1ccc(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822227695 606169956 /nfs/dbraw/zinc/16/99/56/606169956.db2.gz RVLJCHKESPSRPW-UHFFFAOYSA-N -1 1 354.418 2.008 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000822609499 606170447 /nfs/dbraw/zinc/17/04/47/606170447.db2.gz OHTHFHPGQDXBNP-SFHVURJKSA-N -1 1 366.429 2.186 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000822609499 606170448 /nfs/dbraw/zinc/17/04/48/606170448.db2.gz OHTHFHPGQDXBNP-SFHVURJKSA-N -1 1 366.429 2.186 20 0 FEADMM CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820178233 606170716 /nfs/dbraw/zinc/17/07/16/606170716.db2.gz LVCWJWUHTZOJEP-LLVKDONJSA-N -1 1 370.417 2.270 20 0 FEADMM CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820178233 606170717 /nfs/dbraw/zinc/17/07/17/606170717.db2.gz LVCWJWUHTZOJEP-LLVKDONJSA-N -1 1 370.417 2.270 20 0 FEADMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820913511 606172320 /nfs/dbraw/zinc/17/23/20/606172320.db2.gz HMGONMGDSOEQEZ-LBPRGKRZSA-N -1 1 374.836 2.396 20 0 FEADMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820913511 606172321 /nfs/dbraw/zinc/17/23/21/606172321.db2.gz HMGONMGDSOEQEZ-LBPRGKRZSA-N -1 1 374.836 2.396 20 0 FEADMM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823074297 606195995 /nfs/dbraw/zinc/19/59/95/606195995.db2.gz OTQAKBCDELHMFU-UHFFFAOYSA-N -1 1 362.349 2.007 20 0 FEADMM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1noc(Cc2ccccc2)n1 ZINC000820431460 606202881 /nfs/dbraw/zinc/20/28/81/606202881.db2.gz FVLBCUUQGFDFQX-NSHDSACASA-N -1 1 351.370 2.284 20 0 FEADMM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1noc(Cc2ccccc2)n1 ZINC000820431460 606202883 /nfs/dbraw/zinc/20/28/83/606202883.db2.gz FVLBCUUQGFDFQX-NSHDSACASA-N -1 1 351.370 2.284 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cc1 ZINC000559152371 674530653 /nfs/dbraw/zinc/53/06/53/674530653.db2.gz GKWSPRWQMHWGGU-UHFFFAOYSA-N -1 1 358.322 2.111 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@]12CCOc1ccccc12 ZINC000823290639 606295662 /nfs/dbraw/zinc/29/56/62/606295662.db2.gz ZQBJGIPAKGNESP-YJYMSZOUSA-N -1 1 363.377 2.251 20 0 FEADMM Cc1nn(C)c2sc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc12 ZINC000822497250 606296584 /nfs/dbraw/zinc/29/65/84/606296584.db2.gz ZMMZEGLPLSBQAB-UHFFFAOYSA-N -1 1 355.383 2.081 20 0 FEADMM COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821690477 606394267 /nfs/dbraw/zinc/39/42/67/606394267.db2.gz NCZPBWGZDYCNPO-OAHLLOKOSA-N -1 1 356.411 2.141 20 0 FEADMM c1ccc(CCCO[C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000823779319 606429813 /nfs/dbraw/zinc/42/98/13/606429813.db2.gz AFTQIRRAAPUASB-INIZCTEOSA-N -1 1 350.426 2.490 20 0 FEADMM c1ccc(CCCO[C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000823779319 606429815 /nfs/dbraw/zinc/42/98/15/606429815.db2.gz AFTQIRRAAPUASB-INIZCTEOSA-N -1 1 350.426 2.490 20 0 FEADMM CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821936463 606440393 /nfs/dbraw/zinc/44/03/93/606440393.db2.gz ARCSLROZGDPEKB-UHFFFAOYSA-N -1 1 351.775 2.111 20 0 FEADMM CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821936463 606440394 /nfs/dbraw/zinc/44/03/94/606440394.db2.gz ARCSLROZGDPEKB-UHFFFAOYSA-N -1 1 351.775 2.111 20 0 FEADMM Clc1ccc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc1-c1nnn[n-]1 ZINC000822573646 606459831 /nfs/dbraw/zinc/45/98/31/606459831.db2.gz CODMLMKWGPKPLR-STQMWFEESA-N -1 1 367.844 2.488 20 0 FEADMM Clc1ccc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc1-c1nn[n-]n1 ZINC000822573646 606459833 /nfs/dbraw/zinc/45/98/33/606459833.db2.gz CODMLMKWGPKPLR-STQMWFEESA-N -1 1 367.844 2.488 20 0 FEADMM Cc1nccc([C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)n1 ZINC000822472442 606460647 /nfs/dbraw/zinc/46/06/47/606460647.db2.gz SYXKULAQEPTJPR-NSHDSACASA-N -1 1 356.821 2.398 20 0 FEADMM Cc1nccc([C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)n1 ZINC000822472442 606460648 /nfs/dbraw/zinc/46/06/48/606460648.db2.gz SYXKULAQEPTJPR-NSHDSACASA-N -1 1 356.821 2.398 20 0 FEADMM O=C(OCCNc1ncnc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823405159 606469308 /nfs/dbraw/zinc/46/93/08/606469308.db2.gz JRQZUWOBSQYMSS-UHFFFAOYSA-N -1 1 367.394 2.140 20 0 FEADMM O=C(OCCNc1ncnc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823405159 606469309 /nfs/dbraw/zinc/46/93/09/606469309.db2.gz JRQZUWOBSQYMSS-UHFFFAOYSA-N -1 1 367.394 2.140 20 0 FEADMM Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822194383 606494324 /nfs/dbraw/zinc/49/43/24/606494324.db2.gz VDSKSNZFMBFGIW-UHFFFAOYSA-N -1 1 370.438 2.222 20 0 FEADMM Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822194383 606494326 /nfs/dbraw/zinc/49/43/26/606494326.db2.gz VDSKSNZFMBFGIW-UHFFFAOYSA-N -1 1 370.438 2.222 20 0 FEADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821073427 606527985 /nfs/dbraw/zinc/52/79/85/606527985.db2.gz ZWQWEXJOXVCABN-CABCVRRESA-N -1 1 358.446 2.318 20 0 FEADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821073427 606527986 /nfs/dbraw/zinc/52/79/86/606527986.db2.gz ZWQWEXJOXVCABN-CABCVRRESA-N -1 1 358.446 2.318 20 0 FEADMM O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823364000 606534052 /nfs/dbraw/zinc/53/40/52/606534052.db2.gz VKCKGOGMGUCRBR-UHFFFAOYSA-N -1 1 370.438 2.013 20 0 FEADMM O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250001 606537133 /nfs/dbraw/zinc/53/71/33/606537133.db2.gz OHKLCSLCMDOEMT-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358677 606547489 /nfs/dbraw/zinc/54/74/89/606547489.db2.gz KBJGDACRXSGCKB-CABCVRRESA-N -1 1 358.446 2.318 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358677 606547491 /nfs/dbraw/zinc/54/74/91/606547491.db2.gz KBJGDACRXSGCKB-CABCVRRESA-N -1 1 358.446 2.318 20 0 FEADMM O=C(NCc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823254295 606548463 /nfs/dbraw/zinc/54/84/63/606548463.db2.gz RTOWHYBPEFMJTA-UHFFFAOYSA-N -1 1 357.395 2.020 20 0 FEADMM O=C(NCc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823254295 606548465 /nfs/dbraw/zinc/54/84/65/606548465.db2.gz RTOWHYBPEFMJTA-UHFFFAOYSA-N -1 1 357.395 2.020 20 0 FEADMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823176083 606554546 /nfs/dbraw/zinc/55/45/46/606554546.db2.gz PUCGMPWVLQHLAK-MWLCHTKSSA-N -1 1 354.336 2.360 20 0 FEADMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823176083 606554547 /nfs/dbraw/zinc/55/45/47/606554547.db2.gz PUCGMPWVLQHLAK-MWLCHTKSSA-N -1 1 354.336 2.360 20 0 FEADMM COC(=O)N(C)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821663893 606565276 /nfs/dbraw/zinc/56/52/76/606565276.db2.gz SMBNQSUMUIUXEM-UHFFFAOYSA-N -1 1 372.410 2.379 20 0 FEADMM COC(=O)N(C)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821663893 606565277 /nfs/dbraw/zinc/56/52/77/606565277.db2.gz SMBNQSUMUIUXEM-UHFFFAOYSA-N -1 1 372.410 2.379 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2n1C ZINC000820396347 606566177 /nfs/dbraw/zinc/56/61/77/606566177.db2.gz FOHCZFBBPWHOQH-VIFPVBQESA-N -1 1 353.411 2.306 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2n1C ZINC000820396347 606566178 /nfs/dbraw/zinc/56/61/78/606566178.db2.gz FOHCZFBBPWHOQH-VIFPVBQESA-N -1 1 353.411 2.306 20 0 FEADMM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821882690 606573155 /nfs/dbraw/zinc/57/31/55/606573155.db2.gz ICNFYXNUHUTDRI-PBHICJAKSA-N -1 1 355.423 2.397 20 0 FEADMM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821882690 606573157 /nfs/dbraw/zinc/57/31/57/606573157.db2.gz ICNFYXNUHUTDRI-PBHICJAKSA-N -1 1 355.423 2.397 20 0 FEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)CCO1 ZINC000820774301 606598618 /nfs/dbraw/zinc/59/86/18/606598618.db2.gz AHELROHYCNPESZ-LLVKDONJSA-N -1 1 370.438 2.406 20 0 FEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)CCO1 ZINC000820774301 606598619 /nfs/dbraw/zinc/59/86/19/606598619.db2.gz AHELROHYCNPESZ-LLVKDONJSA-N -1 1 370.438 2.406 20 0 FEADMM CCOC(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821335037 606649501 /nfs/dbraw/zinc/64/95/01/606649501.db2.gz WNQMTIIZQXFOFZ-UHFFFAOYSA-N -1 1 368.353 2.187 20 0 FEADMM CCOC(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821335037 606649502 /nfs/dbraw/zinc/64/95/02/606649502.db2.gz WNQMTIIZQXFOFZ-UHFFFAOYSA-N -1 1 368.353 2.187 20 0 FEADMM Cc1ccnn1-c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822380188 606651184 /nfs/dbraw/zinc/65/11/84/606651184.db2.gz ZZLUEHBTXSBTTL-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1ccnn1-c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822380188 606651185 /nfs/dbraw/zinc/65/11/85/606651185.db2.gz ZZLUEHBTXSBTTL-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821863533 606651337 /nfs/dbraw/zinc/65/13/37/606651337.db2.gz MQJYUSYROTZIGJ-CABCVRRESA-N -1 1 351.366 2.117 20 0 FEADMM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821863533 606651338 /nfs/dbraw/zinc/65/13/38/606651338.db2.gz MQJYUSYROTZIGJ-CABCVRRESA-N -1 1 351.366 2.117 20 0 FEADMM CC(C)(C)n1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000819976022 606651843 /nfs/dbraw/zinc/65/18/43/606651843.db2.gz IEAVAAVFGGRZDT-UHFFFAOYSA-N -1 1 367.413 2.448 20 0 FEADMM CC(C)(C)n1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000819976022 606651844 /nfs/dbraw/zinc/65/18/44/606651844.db2.gz IEAVAAVFGGRZDT-UHFFFAOYSA-N -1 1 367.413 2.448 20 0 FEADMM c1c(CNc2c3ccccc3nnc2-c2nnn[n-]2)nnn1-c1ccccc1 ZINC000823771914 606725166 /nfs/dbraw/zinc/72/51/66/606725166.db2.gz FHTSTEFHKCEKDU-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1c(CNc2c3ccccc3nnc2-c2nn[n-]n2)nnn1-c1ccccc1 ZINC000823771914 606725167 /nfs/dbraw/zinc/72/51/67/606725167.db2.gz FHTSTEFHKCEKDU-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM Fc1cccnc1N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822796744 606730036 /nfs/dbraw/zinc/73/00/36/606730036.db2.gz XJCXWRMZNOJTFJ-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM Fc1cccnc1N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822796744 606730038 /nfs/dbraw/zinc/73/00/38/606730038.db2.gz XJCXWRMZNOJTFJ-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM Cc1c2ccccc2oc(=O)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822020778 606749628 /nfs/dbraw/zinc/74/96/28/606749628.db2.gz IZRJAFYTIBFVTN-UHFFFAOYSA-N -1 1 363.333 2.034 20 0 FEADMM Cc1c2ccccc2oc(=O)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822020778 606749631 /nfs/dbraw/zinc/74/96/31/606749631.db2.gz IZRJAFYTIBFVTN-UHFFFAOYSA-N -1 1 363.333 2.034 20 0 FEADMM O=C(CCC(=O)c1ccc(F)c(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945451 606750204 /nfs/dbraw/zinc/75/02/04/606750204.db2.gz FRHMZCVWKSMCJE-UHFFFAOYSA-N -1 1 373.319 2.246 20 0 FEADMM O=C(CCC(=O)c1ccc(F)c(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945451 606750206 /nfs/dbraw/zinc/75/02/06/606750206.db2.gz FRHMZCVWKSMCJE-UHFFFAOYSA-N -1 1 373.319 2.246 20 0 FEADMM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820813716 606762767 /nfs/dbraw/zinc/76/27/67/606762767.db2.gz MHJZKRLPXLGLLA-JTQLQIEISA-N -1 1 359.386 2.146 20 0 FEADMM FC(F)(F)CN1CC[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822718709 606798446 /nfs/dbraw/zinc/79/84/46/606798446.db2.gz PHWHMXIXJJNRTK-ZCFIWIBFSA-N -1 1 367.788 2.273 20 0 FEADMM FC(F)(F)CN1CC[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822718709 606798448 /nfs/dbraw/zinc/79/84/48/606798448.db2.gz PHWHMXIXJJNRTK-ZCFIWIBFSA-N -1 1 367.788 2.273 20 0 FEADMM CCC(CC)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820898184 606801709 /nfs/dbraw/zinc/80/17/09/606801709.db2.gz WDUUWMGLUGHPBA-UHFFFAOYSA-N -1 1 357.418 2.191 20 0 FEADMM CCC(CC)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820898184 606801710 /nfs/dbraw/zinc/80/17/10/606801710.db2.gz WDUUWMGLUGHPBA-UHFFFAOYSA-N -1 1 357.418 2.191 20 0 FEADMM COc1ccc(-c2nc(SCCCF)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732839 606980423 /nfs/dbraw/zinc/98/04/23/606980423.db2.gz VLUPXTBOVSBVCM-UHFFFAOYSA-N -1 1 362.390 2.490 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823140335 607026644 /nfs/dbraw/zinc/02/66/44/607026644.db2.gz SOMASMHUVHKIGH-ZDUSSCGKSA-N -1 1 362.315 2.165 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823140335 607026646 /nfs/dbraw/zinc/02/66/46/607026646.db2.gz SOMASMHUVHKIGH-ZDUSSCGKSA-N -1 1 362.315 2.165 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)[nH]n1 ZINC000821077970 607151940 /nfs/dbraw/zinc/15/19/40/607151940.db2.gz YZJDZRDKFRSENY-UHFFFAOYSA-N -1 1 361.431 2.042 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000822620186 607239450 /nfs/dbraw/zinc/23/94/50/607239450.db2.gz KSCNLQLARPLZNH-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000822620186 607239451 /nfs/dbraw/zinc/23/94/51/607239451.db2.gz KSCNLQLARPLZNH-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM O=S(=O)(NCCC1=CCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490881 607812138 /nfs/dbraw/zinc/81/21/38/607812138.db2.gz LERABYMEDJMTBQ-UHFFFAOYSA-N -1 1 353.835 2.299 20 0 FEADMM O=S(=O)(NCCC1=CCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490881 607812139 /nfs/dbraw/zinc/81/21/39/607812139.db2.gz LERABYMEDJMTBQ-UHFFFAOYSA-N -1 1 353.835 2.299 20 0 FEADMM CN(Cc1ccc(F)cc1)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825965877 607864314 /nfs/dbraw/zinc/86/43/14/607864314.db2.gz HDAVONXAJTVKOG-UHFFFAOYSA-N -1 1 359.336 2.182 20 0 FEADMM CN(Cc1ccc(F)cc1)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825965877 607864315 /nfs/dbraw/zinc/86/43/15/607864315.db2.gz HDAVONXAJTVKOG-UHFFFAOYSA-N -1 1 359.336 2.182 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826289916 607867622 /nfs/dbraw/zinc/86/76/22/607867622.db2.gz RKRNJEULMMMYHO-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826289916 607867623 /nfs/dbraw/zinc/86/76/23/607867623.db2.gz RKRNJEULMMMYHO-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)c(F)c1F ZINC000826493664 607867961 /nfs/dbraw/zinc/86/79/61/607867961.db2.gz WOGXRQCTIPCHTO-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)c(F)c1F ZINC000826493664 607867962 /nfs/dbraw/zinc/86/79/62/607867962.db2.gz WOGXRQCTIPCHTO-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM O=S(=O)(Cc1cccc(F)c1)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826486837 607868074 /nfs/dbraw/zinc/86/80/74/607868074.db2.gz SZHLQFSITTVWFW-UHFFFAOYSA-N -1 1 352.322 2.054 20 0 FEADMM O=S(=O)(Cc1cccc(F)c1)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826486837 607868075 /nfs/dbraw/zinc/86/80/75/607868075.db2.gz SZHLQFSITTVWFW-UHFFFAOYSA-N -1 1 352.322 2.054 20 0 FEADMM Cc1cc(C)cc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826264079 607874923 /nfs/dbraw/zinc/87/49/23/607874923.db2.gz BFBAEFPRFNKIGN-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1cc(C)cc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826264079 607874924 /nfs/dbraw/zinc/87/49/24/607874924.db2.gz BFBAEFPRFNKIGN-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)[C@H]1CCSC1 ZINC000826340942 607918496 /nfs/dbraw/zinc/91/84/96/607918496.db2.gz PTAQHAJIIHBMAV-NSHDSACASA-N -1 1 358.427 2.136 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)[C@H]1CCSC1 ZINC000826340942 607918497 /nfs/dbraw/zinc/91/84/97/607918497.db2.gz PTAQHAJIIHBMAV-NSHDSACASA-N -1 1 358.427 2.136 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)c1c(F)cccc1F ZINC000826467352 607945764 /nfs/dbraw/zinc/94/57/64/607945764.db2.gz SFYKHAKBQKFQRF-UHFFFAOYSA-N -1 1 367.262 2.375 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)c1c(F)cccc1F ZINC000826467352 607945765 /nfs/dbraw/zinc/94/57/65/607945765.db2.gz SFYKHAKBQKFQRF-UHFFFAOYSA-N -1 1 367.262 2.375 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]nc1-c1ccccc1F ZINC000826450946 607997673 /nfs/dbraw/zinc/99/76/73/607997673.db2.gz JQZVLNNQMSNJIT-UHFFFAOYSA-N -1 1 365.328 2.354 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cncn1-c1ccc(F)cc1 ZINC000826451089 607998330 /nfs/dbraw/zinc/99/83/30/607998330.db2.gz PSEAXTYECBMUHK-UHFFFAOYSA-N -1 1 365.328 2.149 20 0 FEADMM CN(C(=O)Cn1ccnc1-c1nnn[n-]1)C(c1ccccc1)c1ccccc1 ZINC000825820747 608013365 /nfs/dbraw/zinc/01/33/65/608013365.db2.gz RDOKTEGDYFIEDK-UHFFFAOYSA-N -1 1 373.420 2.311 20 0 FEADMM CN(C(=O)Cn1ccnc1-c1nn[n-]n1)C(c1ccccc1)c1ccccc1 ZINC000825820747 608013366 /nfs/dbraw/zinc/01/33/66/608013366.db2.gz RDOKTEGDYFIEDK-UHFFFAOYSA-N -1 1 373.420 2.311 20 0 FEADMM Oc1cccc([C@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCO2)c1 ZINC000826511539 608015918 /nfs/dbraw/zinc/01/59/18/608015918.db2.gz UQKGTKIBPSFPFK-CYBMUJFWSA-N -1 1 358.789 2.199 20 0 FEADMM Oc1cccc([C@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCO2)c1 ZINC000826511539 608015919 /nfs/dbraw/zinc/01/59/19/608015919.db2.gz UQKGTKIBPSFPFK-CYBMUJFWSA-N -1 1 358.789 2.199 20 0 FEADMM Clc1nsc(Sc2nnnn2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826354395 608169190 /nfs/dbraw/zinc/16/91/90/608169190.db2.gz BDBXOSWZJWSRCL-UHFFFAOYSA-N -1 1 363.819 2.104 20 0 FEADMM Clc1nsc(Sc2nnnn2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826354395 608169191 /nfs/dbraw/zinc/16/91/91/608169191.db2.gz BDBXOSWZJWSRCL-UHFFFAOYSA-N -1 1 363.819 2.104 20 0 FEADMM CN(C)C(=O)Cc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825846003 608177191 /nfs/dbraw/zinc/17/71/91/608177191.db2.gz PFQSFKHSDXUPBR-UHFFFAOYSA-N -1 1 363.834 2.351 20 0 FEADMM CN(C)C(=O)Cc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825846003 608177193 /nfs/dbraw/zinc/17/71/93/608177193.db2.gz PFQSFKHSDXUPBR-UHFFFAOYSA-N -1 1 363.834 2.351 20 0 FEADMM Cc1ccc([C@@H]2COCCN2c2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000826285714 608189457 /nfs/dbraw/zinc/18/94/57/608189457.db2.gz HUYQMIFVGGTJLE-QMMMGPOBSA-N -1 1 352.807 2.456 20 0 FEADMM Cc1ccc([C@@H]2COCCN2c2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000826285714 608189458 /nfs/dbraw/zinc/18/94/58/608189458.db2.gz HUYQMIFVGGTJLE-QMMMGPOBSA-N -1 1 352.807 2.456 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)c1ccco1 ZINC000826232725 608190362 /nfs/dbraw/zinc/19/03/62/608190362.db2.gz FZUKEXLWCCBIKR-NSHDSACASA-N -1 1 357.370 2.414 20 0 FEADMM FC(F)Oc1ccc([C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC000826369377 608235893 /nfs/dbraw/zinc/23/58/93/608235893.db2.gz ACIFIIMJUZLLIR-CQSZACIVSA-N -1 1 374.351 2.441 20 0 FEADMM FC(F)Oc1ccc([C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC000826369377 608235895 /nfs/dbraw/zinc/23/58/95/608235895.db2.gz ACIFIIMJUZLLIR-CQSZACIVSA-N -1 1 374.351 2.441 20 0 FEADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826427580 608271876 /nfs/dbraw/zinc/27/18/76/608271876.db2.gz UOTXQCBNJUKZIR-WFASDCNBSA-N -1 1 355.423 2.436 20 0 FEADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826427580 608271877 /nfs/dbraw/zinc/27/18/77/608271877.db2.gz UOTXQCBNJUKZIR-WFASDCNBSA-N -1 1 355.423 2.436 20 0 FEADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)s1 ZINC000826336432 608292315 /nfs/dbraw/zinc/29/23/15/608292315.db2.gz XZOIEWDJXHWGFG-UHFFFAOYSA-N -1 1 359.802 2.043 20 0 FEADMM C[C@H](Cc1cccc(Br)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824458659 608404496 /nfs/dbraw/zinc/40/44/96/608404496.db2.gz WJBQGCMWVLCHAU-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Cc1cccc(Br)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824458659 608404497 /nfs/dbraw/zinc/40/44/97/608404497.db2.gz WJBQGCMWVLCHAU-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824761966 608512534 /nfs/dbraw/zinc/51/25/34/608512534.db2.gz DLNUEWFBPKQIEM-LLVKDONJSA-N -1 1 361.427 2.056 20 0 FEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824761966 608512536 /nfs/dbraw/zinc/51/25/36/608512536.db2.gz DLNUEWFBPKQIEM-LLVKDONJSA-N -1 1 361.427 2.056 20 0 FEADMM O=C(OCc1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826466823 608515363 /nfs/dbraw/zinc/51/53/63/608515363.db2.gz VCBICUDBSBZOHK-OAHLLOKOSA-N -1 1 353.382 2.168 20 0 FEADMM O=C(OCc1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826466823 608515364 /nfs/dbraw/zinc/51/53/64/608515364.db2.gz VCBICUDBSBZOHK-OAHLLOKOSA-N -1 1 353.382 2.168 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000826255953 608528137 /nfs/dbraw/zinc/52/81/37/608528137.db2.gz PNOVLNLMNQPZCC-UHFFFAOYSA-N -1 1 357.395 2.006 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826472533 608823873 /nfs/dbraw/zinc/82/38/73/608823873.db2.gz NOUZTJLBMPUENB-NWDGAFQWSA-N -1 1 359.386 2.015 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826472533 608823877 /nfs/dbraw/zinc/82/38/77/608823877.db2.gz NOUZTJLBMPUENB-NWDGAFQWSA-N -1 1 359.386 2.015 20 0 FEADMM Cc1nc(S[C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[n-]c(=O)c1C ZINC000826327430 609182484 /nfs/dbraw/zinc/18/24/84/609182484.db2.gz HFMMTXOQQHCHGD-SNVBAGLBSA-N -1 1 371.426 2.098 20 0 FEADMM Fc1cccc(-n2ccc(NCc3noc(C4CC4)n3)n2)c1-c1nn[n-]n1 ZINC000826376732 609279285 /nfs/dbraw/zinc/27/92/85/609279285.db2.gz PLBCVLOJKLRFFV-UHFFFAOYSA-N -1 1 367.348 2.064 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CC1 ZINC000826458337 609290237 /nfs/dbraw/zinc/29/02/37/609290237.db2.gz MEXMKIZATPYWRP-WDEREUQCSA-N -1 1 353.361 2.176 20 0 FEADMM C[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824941799 609358390 /nfs/dbraw/zinc/35/83/90/609358390.db2.gz ZUPUCBDQORLBQS-LLVKDONJSA-N -1 1 370.392 2.455 20 0 FEADMM Fc1ccc(-n2cnc3c2CCN(Cc2ccc(-c4nnn[n-]4)o2)C3)cc1 ZINC000826373384 609369289 /nfs/dbraw/zinc/36/92/89/609369289.db2.gz KDRODVZHBOYWKT-UHFFFAOYSA-N -1 1 365.372 2.343 20 0 FEADMM Fc1ccc(-n2cnc3c2CCN(Cc2ccc(-c4nn[n-]n4)o2)C3)cc1 ZINC000826373384 609369292 /nfs/dbraw/zinc/36/92/92/609369292.db2.gz KDRODVZHBOYWKT-UHFFFAOYSA-N -1 1 365.372 2.343 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000826229686 609434078 /nfs/dbraw/zinc/43/40/78/609434078.db2.gz NBZZDXKZDPCZQA-BMLIUANNSA-N -1 1 374.470 2.342 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826346779 609467566 /nfs/dbraw/zinc/46/75/66/609467566.db2.gz VNDINWIAYYIERG-IINYFYTJSA-N -1 1 352.398 2.460 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826346779 609467568 /nfs/dbraw/zinc/46/75/68/609467568.db2.gz VNDINWIAYYIERG-IINYFYTJSA-N -1 1 352.398 2.460 20 0 FEADMM Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826281909 609474971 /nfs/dbraw/zinc/47/49/71/609474971.db2.gz PEJDMGZAAFLPIX-UHFFFAOYSA-N -1 1 368.466 2.195 20 0 FEADMM CCc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)s1 ZINC000825767001 609488034 /nfs/dbraw/zinc/48/80/34/609488034.db2.gz FPVVVYAYURSIEB-UHFFFAOYSA-N -1 1 373.829 2.297 20 0 FEADMM Cc1ccncc1C=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826315636 609504408 /nfs/dbraw/zinc/50/44/08/609504408.db2.gz OQYNQSKXLTWHLW-WAYWQWQTSA-N -1 1 352.402 2.174 20 0 FEADMM Cc1ccncc1C=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826315636 609504410 /nfs/dbraw/zinc/50/44/10/609504410.db2.gz OQYNQSKXLTWHLW-WAYWQWQTSA-N -1 1 352.402 2.174 20 0 FEADMM COC(=O)Cc1occ(C)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC000810665961 674555812 /nfs/dbraw/zinc/55/58/12/674555812.db2.gz GTJDZBYFFCNRKV-UHFFFAOYSA-N -1 1 369.171 2.419 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1C ZINC000559961716 674561726 /nfs/dbraw/zinc/56/17/26/674561726.db2.gz HSVSNLOQYUUOGY-LLVKDONJSA-N -1 1 357.398 2.359 20 0 FEADMM Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810834339 674564421 /nfs/dbraw/zinc/56/44/21/674564421.db2.gz QDJBJDPTWIUJNX-KRWDZBQOSA-N -1 1 356.463 2.154 20 0 FEADMM O=S(=O)([N-]CCCOC[C@@H]1CCOC1)c1cc(Cl)ccc1F ZINC000560028101 674564505 /nfs/dbraw/zinc/56/45/05/674564505.db2.gz PWQVNIMAPPEQSF-NSHDSACASA-N -1 1 351.827 2.201 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CN1c1ccc(F)cc1 ZINC000560034839 674564703 /nfs/dbraw/zinc/56/47/03/674564703.db2.gz HBJBUNVIPXZEGJ-CYBMUJFWSA-N -1 1 372.780 2.312 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H](F)Cc2ccccc2)C1)C(F)(F)F ZINC000810899135 674567118 /nfs/dbraw/zinc/56/71/18/674567118.db2.gz VFMVSBMIOBFUKT-UONOGXRCSA-N -1 1 360.351 2.484 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc(C(=O)[O-])c1F ZINC000811717262 674622780 /nfs/dbraw/zinc/62/27/80/674622780.db2.gz CQRZYMPJRFDRKP-UHFFFAOYSA-N -1 1 365.342 2.215 20 0 FEADMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc3c2OCO3)s1 ZINC000560934997 674626184 /nfs/dbraw/zinc/62/61/84/674626184.db2.gz UTGINUYHAVDIHB-UHFFFAOYSA-N -1 1 355.441 2.043 20 0 FEADMM COC(=O)c1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nc1C ZINC000811855775 674633854 /nfs/dbraw/zinc/63/38/54/674633854.db2.gz DRJDQJXSLRCEHR-LLVKDONJSA-N -1 1 359.348 2.072 20 0 FEADMM O=C([N-]OC/C=C\Cl)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000812409765 674673391 /nfs/dbraw/zinc/67/33/91/674673391.db2.gz XSWHPTBLVKQEOL-RYBZSIHZSA-N -1 1 373.236 2.368 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCOCc2ccccc2)o1 ZINC000561563271 674680446 /nfs/dbraw/zinc/68/04/46/674680446.db2.gz AKYWURUAONFGEG-ZDUSSCGKSA-N -1 1 367.423 2.340 20 0 FEADMM COC[C@H](C)[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000812575017 674685460 /nfs/dbraw/zinc/68/54/60/674685460.db2.gz MTZIXZSPTKXIRN-WJTVCTBASA-N -1 1 352.397 2.209 20 0 FEADMM Cc1ccc(/C=C\C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000813283027 674733674 /nfs/dbraw/zinc/73/36/74/674733674.db2.gz HGBLZXVPGATKTN-AFNCTOJWSA-N -1 1 355.360 2.320 20 0 FEADMM C[C@H]1CCN(C(=O)c2cccc(CO)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813635513 674763564 /nfs/dbraw/zinc/76/35/64/674763564.db2.gz VZBUCWWJMWFJSM-MJVIPROJSA-N -1 1 358.360 2.097 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c(C(F)(F)F)n1 ZINC000647273298 677299201 /nfs/dbraw/zinc/29/92/01/677299201.db2.gz KDOMZQAAPLCMFB-SNVBAGLBSA-N -1 1 354.350 2.276 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000563993454 674962057 /nfs/dbraw/zinc/96/20/57/674962057.db2.gz HDJDSNHDROZLQH-NRFANRHFSA-N -1 1 361.876 2.061 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]c2cn(C)cc(Br)c2=O)cc1 ZINC000564130046 674975827 /nfs/dbraw/zinc/97/58/27/674975827.db2.gz YVULIWSAVRGRCZ-UHFFFAOYSA-N -1 1 371.256 2.398 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCCC1 ZINC000564350873 674999720 /nfs/dbraw/zinc/99/97/20/674999720.db2.gz QSYCGLPBVQRWMW-UHFFFAOYSA-N -1 1 357.382 2.591 20 0 FEADMM Cc1cc(C(C)(C)C(=O)NC2(c3nn[n-]n3)CC2)ccc1Br ZINC000564524711 675031680 /nfs/dbraw/zinc/03/16/80/675031680.db2.gz INXQVBCOOTWHQV-UHFFFAOYSA-N -1 1 364.247 2.354 20 0 FEADMM C[C@@](N)(C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000564576261 675040131 /nfs/dbraw/zinc/04/01/31/675040131.db2.gz LWRJVXFRHHPVOD-BZNIZROVSA-N -1 1 369.259 2.336 20 0 FEADMM Cc1noc(C)c1CSCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000004798716 669948712 /nfs/dbraw/zinc/94/87/12/669948712.db2.gz FZGDXCJGUUQLHW-UHFFFAOYSA-N -1 1 362.407 2.024 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(F)c(Cl)c2)C(=O)[N-]C1=S ZINC000009769782 669984236 /nfs/dbraw/zinc/98/42/36/669984236.db2.gz OLNRSZNBQVYTOP-WQLSENKSSA-N -1 1 371.821 2.055 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000014097469 670007202 /nfs/dbraw/zinc/00/72/02/670007202.db2.gz ZIHSXMASGKMNPU-UHFFFAOYSA-N -1 1 355.437 2.290 20 0 FEADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000016727781 670021424 /nfs/dbraw/zinc/02/14/24/670021424.db2.gz KMZJCLJTIALJHC-UHFFFAOYSA-N -1 1 361.423 2.181 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000016726124 670021509 /nfs/dbraw/zinc/02/15/09/670021509.db2.gz CVZOICWBXBEHBC-UHFFFAOYSA-N -1 1 360.313 2.485 20 0 FEADMM CO[C@H]1CCC[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000816667928 675071886 /nfs/dbraw/zinc/07/18/86/675071886.db2.gz ABTPKFCGTQNXBD-HPCHECBXSA-N -1 1 364.408 2.496 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1F ZINC000022993616 670045342 /nfs/dbraw/zinc/04/53/42/670045342.db2.gz IGWMPKCMJBJXCM-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000029834578 670104019 /nfs/dbraw/zinc/10/40/19/670104019.db2.gz MELKCPFGYDTHOJ-UHFFFAOYSA-N -1 1 368.754 2.274 20 0 FEADMM O=C([N-]C1(c2noc(C(F)F)n2)CCC1)C(F)(F)C1(O)CCCC1 ZINC000816927373 675087296 /nfs/dbraw/zinc/08/72/96/675087296.db2.gz WUYPGBUMQPWUGC-UHFFFAOYSA-N -1 1 351.300 2.443 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)o1 ZINC000046316066 670220551 /nfs/dbraw/zinc/22/05/51/670220551.db2.gz NCAKFSBXRBALQU-UHFFFAOYSA-N -1 1 365.407 2.153 20 0 FEADMM CCCCOC(=O)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000046438682 670224513 /nfs/dbraw/zinc/22/45/13/670224513.db2.gz BALIJCZWZSHMEF-UHFFFAOYSA-N -1 1 352.412 2.356 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)o1 ZINC000046671962 670228176 /nfs/dbraw/zinc/22/81/76/670228176.db2.gz KSEOKBRNSNBTQC-UHFFFAOYSA-N -1 1 364.210 2.329 20 0 FEADMM C=CCn1c(Cc2csc(NC(=O)c3cccc[n+]3[O-])n2)n[n-]c1=S ZINC000047298613 670238506 /nfs/dbraw/zinc/23/85/06/670238506.db2.gz GNBZAGYQGFDZGH-UHFFFAOYSA-N -1 1 374.451 2.060 20 0 FEADMM CCOC[C@H](C)CS(=O)(=O)Nc1c(OCC)ccc(F)c1C(=O)[O-] ZINC000565057416 675090987 /nfs/dbraw/zinc/09/09/87/675090987.db2.gz GIDUBAOFUHAJNR-JTQLQIEISA-N -1 1 363.407 2.337 20 0 FEADMM CC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1sccc1Br ZINC000049061204 670275500 /nfs/dbraw/zinc/27/55/00/670275500.db2.gz QJRXTZSHEOGOLW-MRVPVSSYSA-N -1 1 369.306 2.094 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCSC(F)(F)F)cc1 ZINC000051478726 670297000 /nfs/dbraw/zinc/29/70/00/670297000.db2.gz DJOIAUIMBPVNRN-UHFFFAOYSA-N -1 1 365.329 2.138 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c1Cl ZINC000056110200 670359735 /nfs/dbraw/zinc/35/97/35/670359735.db2.gz SQIVLYBNLSXYDO-UHFFFAOYSA-N -1 1 371.890 2.391 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1Cl ZINC000056137679 670360427 /nfs/dbraw/zinc/36/04/27/670360427.db2.gz IQXAYJDCSFICET-OLZOCXBDSA-N -1 1 373.837 2.411 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1nnc(C)o1 ZINC000062278463 670399767 /nfs/dbraw/zinc/39/97/67/670399767.db2.gz DZNXPQCTMSHRBN-SNVBAGLBSA-N -1 1 353.400 2.448 20 0 FEADMM C/C(=C/C(=O)OCC(=O)N[N-]C(=O)c1cccs1)c1ccc(F)cc1 ZINC000064323652 670422624 /nfs/dbraw/zinc/42/26/24/670422624.db2.gz LXFYIHQCQSSUSO-LUAWRHEFSA-N -1 1 362.382 2.295 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n[n-]c1=S ZINC000066639415 670445562 /nfs/dbraw/zinc/44/55/62/670445562.db2.gz ZAWWNAQICNBWJP-GFCCVEGCSA-N -1 1 359.455 2.191 20 0 FEADMM CC(C)n1c(CNC(=O)CCNC(=O)c2ccsc2)n[n-]c1=S ZINC000066640093 670446208 /nfs/dbraw/zinc/44/62/08/670446208.db2.gz NWLZUGDGJZGKIC-UHFFFAOYSA-N -1 1 353.473 2.019 20 0 FEADMM CCn1c(CNC(=O)CSc2nccn2C(C)(C)C)n[n-]c1=S ZINC000067050669 670451925 /nfs/dbraw/zinc/45/19/25/670451925.db2.gz OGEZLFCLLCCGSZ-UHFFFAOYSA-N -1 1 354.505 2.321 20 0 FEADMM CC(=O)NCc1ccc(C(=O)[N-]NC(=O)Cc2ccc(Cl)cc2)s1 ZINC000067129530 670454384 /nfs/dbraw/zinc/45/43/84/670454384.db2.gz MRHFGPNFACMPNR-UHFFFAOYSA-N -1 1 365.842 2.041 20 0 FEADMM COc1cc(S(=O)(=O)Nc2ccc(Cl)nc2)cc(C(=O)[O-])c1OC ZINC000067244152 670456048 /nfs/dbraw/zinc/45/60/48/670456048.db2.gz ZEXYWXCCBQCHGZ-UHFFFAOYSA-N -1 1 372.786 2.251 20 0 FEADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC000068435216 670471042 /nfs/dbraw/zinc/47/10/42/670471042.db2.gz WICVURVBGWDUPY-UHFFFAOYSA-N -1 1 365.503 2.240 20 0 FEADMM Cc1nccc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000817292814 675118324 /nfs/dbraw/zinc/11/83/24/675118324.db2.gz JIVKTDCBHWEPGE-CQSZACIVSA-N -1 1 350.344 2.395 20 0 FEADMM O=S(=O)([N-]CC[C@H]1COc2ccccc2O1)c1cc(F)ccc1F ZINC000569523189 670572773 /nfs/dbraw/zinc/57/27/73/670572773.db2.gz IBOMMRNNCIOOKQ-LBPRGKRZSA-N -1 1 355.362 2.473 20 0 FEADMM CS(=O)(=O)CCn1ccc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000078028701 670580628 /nfs/dbraw/zinc/58/06/28/670580628.db2.gz SIUICVCVYOMDRC-UHFFFAOYSA-N -1 1 359.407 2.039 20 0 FEADMM O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000569668213 670593820 /nfs/dbraw/zinc/59/38/20/670593820.db2.gz JWETVDPTZTZPKY-QMMMGPOBSA-N -1 1 355.265 2.256 20 0 FEADMM COCCC1(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCC1 ZINC000565433750 675121502 /nfs/dbraw/zinc/12/15/02/675121502.db2.gz LQUOXBREXVOHIN-UHFFFAOYSA-N -1 1 369.409 2.314 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC000079723340 670610403 /nfs/dbraw/zinc/61/04/03/670610403.db2.gz SADFPTIWZQFWNP-DGCLKSJQSA-N -1 1 351.859 2.220 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000079892235 670612602 /nfs/dbraw/zinc/61/26/02/670612602.db2.gz WWDADORYKBWRTE-CPCISQLKSA-N -1 1 360.266 2.387 20 0 FEADMM CC(NC(=O)Cc1sc(N)nc1[O-])(c1ccccc1)c1ccccc1 ZINC000080032169 670614423 /nfs/dbraw/zinc/61/44/23/670614423.db2.gz OOWDKIWRKKHHOV-HNNXBMFYSA-N -1 1 353.447 2.413 20 0 FEADMM CC(=O)Nc1ccc(CC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1 ZINC000081030781 670635962 /nfs/dbraw/zinc/63/59/62/670635962.db2.gz HLGZNQUGHLHTGZ-UHFFFAOYSA-N -1 1 363.776 2.441 20 0 FEADMM Cc1ccn2c(c1)n[n-]c2=NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000088468381 670691404 /nfs/dbraw/zinc/69/14/04/670691404.db2.gz JLIPZHGLTPGZCY-UHFFFAOYSA-N -1 1 352.379 2.023 20 0 FEADMM O=C(NN1CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000089343802 670699973 /nfs/dbraw/zinc/69/99/73/670699973.db2.gz UISNMMQUCFRNNN-UHFFFAOYSA-N -1 1 350.216 2.421 20 0 FEADMM Cc1cnn(C)c1CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817417866 675131330 /nfs/dbraw/zinc/13/13/30/675131330.db2.gz VBQUDNCUEYBPHE-CYBMUJFWSA-N -1 1 352.360 2.338 20 0 FEADMM O=C(Cc1ccco1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490113 675138208 /nfs/dbraw/zinc/13/82/08/675138208.db2.gz MKDWBKABIACHEW-LBPRGKRZSA-N -1 1 352.312 2.459 20 0 FEADMM COCCc1ccnc([N-]S(=O)(=O)Cc2ccccc2COC)c1 ZINC000570846053 670777149 /nfs/dbraw/zinc/77/71/49/670777149.db2.gz BNJXFYAVVNYIPU-UHFFFAOYSA-N -1 1 350.440 2.359 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)o1 ZINC000570948372 670792059 /nfs/dbraw/zinc/79/20/59/670792059.db2.gz XYPBVQKZSANPIA-UHFFFAOYSA-N -1 1 366.443 2.170 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2cscn2)sc1Br ZINC000571320045 670854765 /nfs/dbraw/zinc/85/47/65/670854765.db2.gz FRHUXHQJNWPAOB-UHFFFAOYSA-N -1 1 354.276 2.149 20 0 FEADMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000572384694 670995865 /nfs/dbraw/zinc/99/58/65/670995865.db2.gz KMZXLZTVFMBTIZ-UHFFFAOYSA-N -1 1 360.750 2.167 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1cc2cc(F)ccc2o1 ZINC000572573257 671018196 /nfs/dbraw/zinc/01/81/96/671018196.db2.gz QPUZMMUXNWAOJV-LLVKDONJSA-N -1 1 353.371 2.294 20 0 FEADMM Cc1cnc(SCC(=O)NCCOc2ccc(Cl)cc2)[n-]c1=O ZINC000573386877 671116578 /nfs/dbraw/zinc/11/65/78/671116578.db2.gz SCDKYUPEBMQIDF-UHFFFAOYSA-N -1 1 353.831 2.431 20 0 FEADMM CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000574409048 671236977 /nfs/dbraw/zinc/23/69/77/671236977.db2.gz AWBSSBAYLPMHFE-ZDUSSCGKSA-N -1 1 365.455 2.096 20 0 FEADMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1cnn(-c2ccccc2)c1 ZINC000576809841 671396257 /nfs/dbraw/zinc/39/62/57/671396257.db2.gz IFXIIJLRBHGWQG-UHFFFAOYSA-N -1 1 357.317 2.415 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1nc2ccccc2s1 ZINC000578009495 671634514 /nfs/dbraw/zinc/63/45/14/671634514.db2.gz WFHHAEVUXFBSNF-SECBINFHSA-N -1 1 365.402 2.211 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(c2cccc(Br)c2)CC1 ZINC000578370961 671660424 /nfs/dbraw/zinc/66/04/24/671660424.db2.gz CXTASPPRZITAHT-UHFFFAOYSA-N -1 1 372.244 2.295 20 0 FEADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000609658318 675931389 /nfs/dbraw/zinc/93/13/89/675931389.db2.gz JJARLEZHGSVUPM-HSZRJFAPSA-N -1 1 366.420 2.213 20 0 FEADMM O=S(=O)(Cc1ccccc1Br)[N-]Cc1nnc(C2CC2)o1 ZINC000579267439 671723601 /nfs/dbraw/zinc/72/36/01/671723601.db2.gz MENQLKGSHGNVIL-UHFFFAOYSA-N -1 1 372.244 2.329 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc(Cl)c1[O-] ZINC000579664842 671751294 /nfs/dbraw/zinc/75/12/94/671751294.db2.gz ZTTVPHDLBUSGNK-CORIIIEPSA-N -1 1 366.845 2.431 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1(CF)CCC1 ZINC000579715860 671755629 /nfs/dbraw/zinc/75/56/29/671755629.db2.gz GXCSKATYMZXFQP-UHFFFAOYSA-N -1 1 369.245 2.280 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@@H](c2cccs2)N(C)C)s[n-]1 ZINC000581160082 671868632 /nfs/dbraw/zinc/86/86/32/671868632.db2.gz AZYMUPRXQJPQAT-ZJUUUORDSA-N -1 1 355.489 2.153 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C12CCC2 ZINC000581417161 671894290 /nfs/dbraw/zinc/89/42/90/671894290.db2.gz FEQHKRQLWNBKCL-WDEREUQCSA-N -1 1 367.393 2.065 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1F ZINC000120540668 671928047 /nfs/dbraw/zinc/92/80/47/671928047.db2.gz JKHIXIQLBWYNEQ-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)c1 ZINC000610192288 675958764 /nfs/dbraw/zinc/95/87/64/675958764.db2.gz XOANESCCEKNDAD-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM COC(=O)[C@@H](CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)CC(C)C ZINC000610203547 675959163 /nfs/dbraw/zinc/95/91/63/675959163.db2.gz RXFSUNXMNNJMSA-GFCCVEGCSA-N -1 1 369.487 2.097 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CCc1cccc(Cl)c1 ZINC000121450452 671949574 /nfs/dbraw/zinc/94/95/74/671949574.db2.gz YPZUPIGWBADWSP-UHFFFAOYSA-N -1 1 360.801 2.098 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCC2CCC2)c(Br)o1 ZINC000124180289 671992086 /nfs/dbraw/zinc/99/20/86/671992086.db2.gz GYKVNOYAXAVDAI-UHFFFAOYSA-N -1 1 366.233 2.297 20 0 FEADMM COc1ccc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)c(Cl)c1 ZINC000125287788 672009937 /nfs/dbraw/zinc/00/99/37/672009937.db2.gz ZAXRGHLTKGADDQ-UHFFFAOYSA-N -1 1 364.254 2.257 20 0 FEADMM CS(=O)(=O)c1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000583321969 672084342 /nfs/dbraw/zinc/08/43/42/672084342.db2.gz NQWGNAZSVCPPND-MSOLQXFVSA-N -1 1 359.447 2.390 20 0 FEADMM Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000583388572 672090387 /nfs/dbraw/zinc/09/03/87/672090387.db2.gz PCUNZVALIQDZHX-UHFFFAOYSA-N -1 1 352.387 2.065 20 0 FEADMM Cc1cccc(Br)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000583416883 672092679 /nfs/dbraw/zinc/09/26/79/672092679.db2.gz ZWZWIZOZTWKRNN-JTQLQIEISA-N -1 1 350.220 2.290 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cccc2ncccc21 ZINC000135820553 672135509 /nfs/dbraw/zinc/13/55/09/672135509.db2.gz MIEVGKHUCCENRA-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC000153933551 672207187 /nfs/dbraw/zinc/20/71/87/672207187.db2.gz PKEICCCPXNHTTO-OAHLLOKOSA-N -1 1 363.332 2.429 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1C=CCCC1 ZINC000584751573 672211901 /nfs/dbraw/zinc/21/19/01/672211901.db2.gz ZVDPCPQFOHFOSF-JTQLQIEISA-N -1 1 363.266 2.497 20 0 FEADMM COc1cc[n-]c(=NNC(=O)Nc2cccc(Cl)c2-n2cccn2)n1 ZINC000156665256 672249248 /nfs/dbraw/zinc/24/92/48/672249248.db2.gz ACZOLWQBJCOGMP-UHFFFAOYSA-N -1 1 359.777 2.473 20 0 FEADMM CCOC(=O)c1nnc([N-]C(=O)c2sc([C@H](C)OC)nc2C)s1 ZINC000610871721 676002429 /nfs/dbraw/zinc/00/24/29/676002429.db2.gz HQODSCVPAZUVIK-ZETCQYMHSA-N -1 1 356.429 2.439 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](C2OCCO2)C1 ZINC000171390109 672331875 /nfs/dbraw/zinc/33/18/75/672331875.db2.gz BFHBOQVIKMQWRR-SNVBAGLBSA-N -1 1 356.216 2.380 20 0 FEADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cc1F ZINC000179845195 672406429 /nfs/dbraw/zinc/40/64/29/672406429.db2.gz FYEKMMLUHLAORH-BQYQJAHWSA-N -1 1 374.390 2.025 20 0 FEADMM CCc1cc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)cc(=O)[nH]1 ZINC000181613502 672428431 /nfs/dbraw/zinc/42/84/31/672428431.db2.gz FUIRXKUTVWVYTJ-UHFFFAOYSA-N -1 1 354.193 2.319 20 0 FEADMM O=C([N-]NC(=O)Nc1ccncc1)c1cc(F)ccc1Br ZINC000183406363 672467604 /nfs/dbraw/zinc/46/76/04/672467604.db2.gz FFHZELJRXBYKKF-UHFFFAOYSA-N -1 1 353.151 2.450 20 0 FEADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000588833607 672484638 /nfs/dbraw/zinc/48/46/38/672484638.db2.gz RKKKNVYNAKFLIL-UHFFFAOYSA-N -1 1 355.419 2.498 20 0 FEADMM O=C(NNc1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000184514843 672500576 /nfs/dbraw/zinc/50/05/76/672500576.db2.gz CVLJULKCPUVLRA-UHFFFAOYSA-N -1 1 371.122 2.354 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000589429551 672524625 /nfs/dbraw/zinc/52/46/25/672524625.db2.gz CFCUDTYASJXDHJ-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000589980641 672551500 /nfs/dbraw/zinc/55/15/00/672551500.db2.gz KLAXFJIVUOWFJE-UHFFFAOYSA-N -1 1 358.379 2.117 20 0 FEADMM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000680428771 672574338 /nfs/dbraw/zinc/57/43/38/672574338.db2.gz BSKAEZVJNUWUIY-LLVKDONJSA-N -1 1 358.360 2.136 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@@H]1CCOC1 ZINC000680640835 672595306 /nfs/dbraw/zinc/59/53/06/672595306.db2.gz CPSVJCPIEZYJAP-OAHLLOKOSA-N -1 1 361.423 2.398 20 0 FEADMM CCOc1cc(C(=O)N2CCC(OCCCO)CC2)cc(Cl)c1[O-] ZINC000680818084 672603705 /nfs/dbraw/zinc/60/37/05/672603705.db2.gz MXECGBPALCLXLC-UHFFFAOYSA-N -1 1 357.834 2.448 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cn1 ZINC000590741985 672607532 /nfs/dbraw/zinc/60/75/32/672607532.db2.gz WGLDNMYINOTADB-MRXNPFEDSA-N -1 1 364.423 2.388 20 0 FEADMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000681049006 672624685 /nfs/dbraw/zinc/62/46/85/672624685.db2.gz KVWLOQBUKGOMMS-UHFFFAOYSA-N -1 1 358.398 2.498 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000190370087 672638042 /nfs/dbraw/zinc/63/80/42/672638042.db2.gz REAKTYGMSHRKGE-OAHLLOKOSA-N -1 1 360.407 2.344 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(F)cc(F)c2Br)n[nH]1 ZINC000190672944 672646222 /nfs/dbraw/zinc/64/62/22/672646222.db2.gz NTOSUECNRNVNOR-UHFFFAOYSA-N -1 1 374.145 2.225 20 0 FEADMM CC(C)n1cc(C(=O)N[N-]C(=O)c2cc(F)ccc2Br)cn1 ZINC000191063710 672658353 /nfs/dbraw/zinc/65/83/53/672658353.db2.gz KUCNSDQFCQDZRC-UHFFFAOYSA-N -1 1 369.194 2.440 20 0 FEADMM CC(Nc1cccnc1Cl)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192695754 672698629 /nfs/dbraw/zinc/69/86/29/672698629.db2.gz PIVDXHQIWBHABD-PKNBQFBNSA-N -1 1 352.847 2.320 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1ccc(Br)c(Cl)c1)c1nn[n-]n1 ZINC000682531242 672769061 /nfs/dbraw/zinc/76/90/61/672769061.db2.gz XGQCTSWQTASCSI-MRVPVSSYSA-N -1 1 372.654 2.420 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)c(F)c1 ZINC000683197608 672821881 /nfs/dbraw/zinc/82/18/81/672821881.db2.gz HKKMILYXLNQFDY-JTQLQIEISA-N -1 1 355.362 2.125 20 0 FEADMM COC(=O)C12CC(C(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)(C1)C2 ZINC000592947261 672857890 /nfs/dbraw/zinc/85/78/90/672857890.db2.gz AUKISNHCQORTDX-UHFFFAOYSA-N -1 1 362.773 2.113 20 0 FEADMM COC(=O)C12CC(C(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)(C1)C2 ZINC000592947261 672857894 /nfs/dbraw/zinc/85/78/94/672857894.db2.gz AUKISNHCQORTDX-UHFFFAOYSA-N -1 1 362.773 2.113 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(-c2ccc(F)cc2)c1C ZINC000593218101 672895223 /nfs/dbraw/zinc/89/52/23/672895223.db2.gz TUCFTOSYVQUCAU-UHFFFAOYSA-N -1 1 369.418 2.261 20 0 FEADMM Cc1nccc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)n1 ZINC000684563011 672942105 /nfs/dbraw/zinc/94/21/05/672942105.db2.gz SMHZJABARWXUKC-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM Cc1nccc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000684563011 672942109 /nfs/dbraw/zinc/94/21/09/672942109.db2.gz SMHZJABARWXUKC-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000271121936 672951934 /nfs/dbraw/zinc/95/19/34/672951934.db2.gz FNWLCQAKYAXYIF-UHFFFAOYSA-N -1 1 370.475 2.151 20 0 FEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000593634327 672966053 /nfs/dbraw/zinc/96/60/53/672966053.db2.gz UYXFOLNLIXWYTO-LLVKDONJSA-N -1 1 358.218 2.314 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])N(C)C)c1 ZINC000326582513 673053661 /nfs/dbraw/zinc/05/36/61/673053661.db2.gz BHXJRRYNSJKQMF-JKSUJKDBSA-N -1 1 351.447 2.096 20 0 FEADMM CN(Cc1ccccc1)C[C@H](NS(=O)(=O)CC1CCCCC1)C(=O)[O-] ZINC000702219316 673057559 /nfs/dbraw/zinc/05/75/59/673057559.db2.gz MXYBGJWVFMEJHE-KRWDZBQOSA-N -1 1 368.499 2.071 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)cc1C(=O)[O-] ZINC000327348499 673059118 /nfs/dbraw/zinc/05/91/18/673059118.db2.gz IBJZBANBSFYXDK-OAHLLOKOSA-N -1 1 366.483 2.251 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(=O)C(C)(C)C)c1F ZINC000594462897 673076828 /nfs/dbraw/zinc/07/68/28/673076828.db2.gz OFVBJHQBSGZHLE-UHFFFAOYSA-N -1 1 365.810 2.159 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CSC[C@H]2C)c1F ZINC000594467275 673078446 /nfs/dbraw/zinc/07/84/46/673078446.db2.gz UDKIMZYIXOSZPQ-XCBNKYQSSA-N -1 1 367.851 2.296 20 0 FEADMM O=C(Cn1cnc([N-]C(=O)c2scnc2Cl)n1)N1CCCCCC1 ZINC000726762781 673138432 /nfs/dbraw/zinc/13/84/32/673138432.db2.gz CWYVFCWYCZXCDW-UHFFFAOYSA-N -1 1 368.850 2.043 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1sccc1C)c1cccc(OC)c1 ZINC000594823522 673153623 /nfs/dbraw/zinc/15/36/23/673153623.db2.gz WIHSFMTYMSBZFP-CYBMUJFWSA-N -1 1 355.437 2.258 20 0 FEADMM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000404139607 673166686 /nfs/dbraw/zinc/16/66/86/673166686.db2.gz HPHSVOVHOMSNMG-LBPRGKRZSA-N -1 1 374.673 2.467 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1 ZINC000727357810 673167402 /nfs/dbraw/zinc/16/74/02/673167402.db2.gz TUQNUKFKVFUYSK-UHFFFAOYSA-N -1 1 361.423 2.163 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@@]1(C)CC1(F)F ZINC000594858974 673167403 /nfs/dbraw/zinc/16/74/03/673167403.db2.gz WMPWJPWWYTYXHF-ZDUSSCGKSA-N -1 1 351.346 2.326 20 0 FEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000594866592 673171274 /nfs/dbraw/zinc/17/12/74/673171274.db2.gz SCKAZWDSZYKDJP-ZDUSSCGKSA-N -1 1 355.790 2.190 20 0 FEADMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000594867257 673171632 /nfs/dbraw/zinc/17/16/32/673171632.db2.gz VNABFOXFUHRIQD-OAHLLOKOSA-N -1 1 372.443 2.380 20 0 FEADMM Cn1[n-]c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1=O ZINC000613128384 676113117 /nfs/dbraw/zinc/11/31/17/676113117.db2.gz KIZZLCGZRXWIRB-BDJLRTHQSA-N -1 1 366.824 2.341 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C(C)(C)c2nc(C)cs2)cc1C ZINC000595313659 673221917 /nfs/dbraw/zinc/22/19/17/673221917.db2.gz WIRWHZILNPOLGW-UHFFFAOYSA-N -1 1 358.441 2.353 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)cc1C ZINC000595331870 673226190 /nfs/dbraw/zinc/22/61/90/673226190.db2.gz GFEKHPYPJBLMJZ-NSHDSACASA-N -1 1 359.469 2.186 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000595342720 673228220 /nfs/dbraw/zinc/22/82/20/673228220.db2.gz PYSBTFQMYICTBC-TZMCWYRMSA-N -1 1 357.428 2.001 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(Cl)c2)o1 ZINC000462698221 673276455 /nfs/dbraw/zinc/27/64/55/673276455.db2.gz BYLZHAUESOMHHD-SNVBAGLBSA-N -1 1 373.814 2.465 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000462719119 673278972 /nfs/dbraw/zinc/27/89/72/673278972.db2.gz DOWOCEOZTUNYEA-CYBMUJFWSA-N -1 1 355.362 2.200 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)OCc1ccccc1 ZINC000731072487 673299901 /nfs/dbraw/zinc/29/99/01/673299901.db2.gz JRYIGFJEUQMTAQ-UHFFFAOYSA-N -1 1 369.420 2.020 20 0 FEADMM CO[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCC1 ZINC000613554825 676133644 /nfs/dbraw/zinc/13/36/44/676133644.db2.gz KBTTZJSQGWQVHD-QWHCGFSZSA-N -1 1 353.785 2.013 20 0 FEADMM CSCc1c2ccccc2oc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090455 673353345 /nfs/dbraw/zinc/35/33/45/673353345.db2.gz WVHUCTGEADRXCQ-ZDUSSCGKSA-N -1 1 359.411 2.023 20 0 FEADMM CCc1nnc([C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000732327091 673363944 /nfs/dbraw/zinc/36/39/44/673363944.db2.gz DODNOKHMMBPVTD-VIFPVBQESA-N -1 1 371.415 2.220 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cc(CC)[nH]n1 ZINC000732792010 673383168 /nfs/dbraw/zinc/38/31/68/673383168.db2.gz WLJIBTGGQHJHQV-UHFFFAOYSA-N -1 1 350.444 2.054 20 0 FEADMM Cc1nnc(Sc2nc3c(cnn3C)c(=O)[n-]2)n1-c1ccccc1C ZINC000537795729 673408140 /nfs/dbraw/zinc/40/81/40/673408140.db2.gz QXPQLGQGXKMSOL-UHFFFAOYSA-N -1 1 353.411 2.418 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCN1CCCC1=O ZINC000733459513 673418920 /nfs/dbraw/zinc/41/89/20/673418920.db2.gz RLKJSFSYMAKEHX-UHFFFAOYSA-N -1 1 368.455 2.008 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1CC(=O)[O-] ZINC000538089943 673421514 /nfs/dbraw/zinc/42/15/14/673421514.db2.gz MIZSOWODKNQXIR-UHFFFAOYSA-N -1 1 368.436 2.457 20 0 FEADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000733875839 673441937 /nfs/dbraw/zinc/44/19/37/673441937.db2.gz WUIJPIGKGNUXJL-UHFFFAOYSA-N -1 1 356.787 2.389 20 0 FEADMM Cc1cccc(O)c1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000538496833 673443332 /nfs/dbraw/zinc/44/33/32/673443332.db2.gz IPYHGDDFLZHWQE-UHFFFAOYSA-N -1 1 355.343 2.104 20 0 FEADMM CC(C)C(=O)NC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000735296564 673489327 /nfs/dbraw/zinc/48/93/27/673489327.db2.gz XMDZNPTUYVLQLG-UHFFFAOYSA-N -1 1 360.487 2.197 20 0 FEADMM Cc1ccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(Cl)c1 ZINC000539706437 673502173 /nfs/dbraw/zinc/50/21/73/673502173.db2.gz PMQMIBRTOUXYFE-UHFFFAOYSA-N -1 1 354.815 2.183 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@]23CCC(=O)N2CCS3)c1 ZINC000539799953 673506906 /nfs/dbraw/zinc/50/69/06/673506906.db2.gz NFXPPVNJOLDHFU-CQSZACIVSA-N -1 1 371.256 2.467 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c(C)n1 ZINC000539990735 673518416 /nfs/dbraw/zinc/51/84/16/673518416.db2.gz JTSAUFSJEWQJJS-UHFFFAOYSA-N -1 1 361.423 2.097 20 0 FEADMM Cc1c(C(=O)NC2(c3nn[n-]n3)CCC2)cnn1-c1ccccc1Cl ZINC000737214530 673554816 /nfs/dbraw/zinc/55/48/16/673554816.db2.gz KVSOGOQDHWFUOU-UHFFFAOYSA-N -1 1 357.805 2.156 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1cc(C)cc(C)c1)C1CC1 ZINC000599277942 673652562 /nfs/dbraw/zinc/65/25/62/673652562.db2.gz BAGQZKJQRZOOKO-SJORKVTESA-N -1 1 369.483 2.252 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(C)c(C)c1)C1CC1 ZINC000599279949 673652842 /nfs/dbraw/zinc/65/28/42/673652842.db2.gz YUMQANCRXDCJLW-IRXDYDNUSA-N -1 1 369.483 2.252 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCOC(C)(C)C)c1F ZINC000599342559 673661833 /nfs/dbraw/zinc/66/18/33/673661833.db2.gz QSLLDIYDARLEAR-UHFFFAOYSA-N -1 1 365.398 2.235 20 0 FEADMM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1nn[n-]n1 ZINC000599377465 673666452 /nfs/dbraw/zinc/66/64/52/673666452.db2.gz SUOYWHAHFTYNFG-UHFFFAOYSA-N -1 1 364.818 2.127 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000599422052 673673581 /nfs/dbraw/zinc/67/35/81/673673581.db2.gz QCAKVOZIZGQEPL-UHFFFAOYSA-N -1 1 364.423 2.336 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@]2(C)C[C@H]3C[C@H]3C2)c1F ZINC000599483379 673681784 /nfs/dbraw/zinc/68/17/84/673681784.db2.gz ZDKJVMUBNMNJQU-WRBXQSRGSA-N -1 1 359.394 2.466 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CC1 ZINC000544746149 673730402 /nfs/dbraw/zinc/73/04/02/673730402.db2.gz ITKJDPLKEOSZMY-JTQLQIEISA-N -1 1 357.801 2.437 20 0 FEADMM CS[C@@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000742744742 673736865 /nfs/dbraw/zinc/73/68/65/673736865.db2.gz CBRONBFAAKTQBI-WDEREUQCSA-N -1 1 360.501 2.370 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2ccncc2)no1 ZINC000544998455 673742701 /nfs/dbraw/zinc/74/27/01/673742701.db2.gz NVJZAWHJSNBTRH-SNVBAGLBSA-N -1 1 350.425 2.156 20 0 FEADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000743291821 673754868 /nfs/dbraw/zinc/75/48/68/673754868.db2.gz VLKBKJZYIHLIPW-HNNXBMFYSA-N -1 1 359.382 2.242 20 0 FEADMM O=C(CNC(=O)c1cc(I)ccc1[O-])C1CCCC1 ZINC000600486267 673773618 /nfs/dbraw/zinc/77/36/18/673773618.db2.gz FVZDASVDDQSAST-UHFFFAOYSA-N -1 1 373.190 2.486 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(CS(C)(=O)=O)o2)c1 ZINC000744918238 673816914 /nfs/dbraw/zinc/81/69/14/673816914.db2.gz GWEDSQDWDQXNKH-UHFFFAOYSA-N -1 1 366.391 2.132 20 0 FEADMM CCO[C@@H](C)c1ncc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)s1 ZINC000745445288 673836881 /nfs/dbraw/zinc/83/68/81/673836881.db2.gz GDRUGLZTFLASOL-NSHDSACASA-N -1 1 362.407 2.354 20 0 FEADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)Nc1sccc1C(N)=O ZINC000745522337 673839952 /nfs/dbraw/zinc/83/99/52/673839952.db2.gz GEQIGUUUQHRZPP-ZCFIWIBFSA-N -1 1 370.333 2.015 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000601377727 673851848 /nfs/dbraw/zinc/85/18/48/673851848.db2.gz IPGOEWBGYQFHTC-RULNZOCKSA-N -1 1 369.464 2.178 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000547546121 673861146 /nfs/dbraw/zinc/86/11/46/673861146.db2.gz QVIVFTVLSKXEAE-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM Cc1nonc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000746124918 673864406 /nfs/dbraw/zinc/86/44/06/673864406.db2.gz DGEXLLYSCRZVCI-UHFFFAOYSA-N -1 1 358.379 2.431 20 0 FEADMM CCOC(=O)C1(COC)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000601546648 673880208 /nfs/dbraw/zinc/88/02/08/673880208.db2.gz GKBPFZGJIIMKJV-UHFFFAOYSA-N -1 1 369.845 2.406 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3ncsc3c2)cccc1-n1cnnn1 ZINC000547821948 673891525 /nfs/dbraw/zinc/89/15/25/673891525.db2.gz YHXYLTLVXBZVRK-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM C[C@H](C(F)(F)F)S(=O)(=O)NCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000548027422 673915994 /nfs/dbraw/zinc/91/59/94/673915994.db2.gz PUCFBXYHVOMDFK-PWSUYJOCSA-N -1 1 353.362 2.190 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1c(Cl)nc2ccccn21 ZINC000747473842 673930442 /nfs/dbraw/zinc/93/04/42/673930442.db2.gz MGVLNLFDCSNZKW-GFCCVEGCSA-N -1 1 353.773 2.020 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000548199472 673933330 /nfs/dbraw/zinc/93/33/30/673933330.db2.gz PWQAVGWRKIIVKY-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2csnc2C)n[n-]1 ZINC000548723244 673990002 /nfs/dbraw/zinc/99/00/02/673990002.db2.gz FHXFGNTZPQTNFB-NSHDSACASA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2csnc2C)[n-]1 ZINC000548723244 673990004 /nfs/dbraw/zinc/99/00/04/673990004.db2.gz FHXFGNTZPQTNFB-NSHDSACASA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2csnc2C)n1 ZINC000548723244 673990006 /nfs/dbraw/zinc/99/00/06/673990006.db2.gz FHXFGNTZPQTNFB-NSHDSACASA-N -1 1 351.432 2.264 20 0 FEADMM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000819550866 675299045 /nfs/dbraw/zinc/29/90/45/675299045.db2.gz ZWMOKHQCJMLPHP-NSHDSACASA-N -1 1 358.822 2.003 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](N2CCOCC2)C1 ZINC000615544303 676218492 /nfs/dbraw/zinc/21/84/92/676218492.db2.gz RLXMUKQZPMDQBK-ZDUSSCGKSA-N -1 1 358.360 2.348 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@H]2CCc3cccnc32)C1)C(F)(F)F ZINC000820889932 675397451 /nfs/dbraw/zinc/39/74/51/675397451.db2.gz OWUFHKOJNRLVRK-YPMHNXCESA-N -1 1 355.360 2.029 20 0 FEADMM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000568911268 675409481 /nfs/dbraw/zinc/40/94/81/675409481.db2.gz KXPVXZRNIVBAMR-AWEZNQCLSA-N -1 1 357.797 2.430 20 0 FEADMM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000821344543 675428656 /nfs/dbraw/zinc/42/86/56/675428656.db2.gz VIUUPSQHJBRLAV-LBPRGKRZSA-N -1 1 353.394 2.021 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2nnc(C(C)(C)C)o2)c1 ZINC000821361107 675430179 /nfs/dbraw/zinc/43/01/79/675430179.db2.gz YFAUXGSKUIWEQN-XMMPIXPASA-N -1 1 352.412 2.227 20 0 FEADMM COc1ccccc1[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821882566 675458367 /nfs/dbraw/zinc/45/83/67/675458367.db2.gz DVHGFQZVPJBJBU-QMMMGPOBSA-N -1 1 352.807 2.131 20 0 FEADMM COc1ccccc1[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821882566 675458369 /nfs/dbraw/zinc/45/83/69/675458369.db2.gz DVHGFQZVPJBJBU-QMMMGPOBSA-N -1 1 352.807 2.131 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1ncccc1Br)C(C)(C)C ZINC000656925180 677870331 /nfs/dbraw/zinc/87/03/31/677870331.db2.gz VXXNTRTZEZZOMN-SNVBAGLBSA-N -1 1 351.266 2.184 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnc(-c2ccccc2)nc1 ZINC000823383251 675549187 /nfs/dbraw/zinc/54/91/87/675549187.db2.gz NPVFUOLKNUAKNQ-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnc(-c2ccccc2)nc1 ZINC000823383251 675549189 /nfs/dbraw/zinc/54/91/89/675549189.db2.gz NPVFUOLKNUAKNQ-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)n[n-]1 ZINC000824887846 675626788 /nfs/dbraw/zinc/62/67/88/675626788.db2.gz SVHFQFAILTWLIJ-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)[n-]1 ZINC000824887846 675626789 /nfs/dbraw/zinc/62/67/89/675626789.db2.gz SVHFQFAILTWLIJ-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)n1 ZINC000824887846 675626790 /nfs/dbraw/zinc/62/67/90/675626790.db2.gz SVHFQFAILTWLIJ-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCC[C@@H]21 ZINC000824991907 675632503 /nfs/dbraw/zinc/63/25/03/675632503.db2.gz IBJXOCIKVOEBPG-NQBHXWOUSA-N -1 1 365.434 2.205 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCC[C@@H]21 ZINC000824991907 675632504 /nfs/dbraw/zinc/63/25/04/675632504.db2.gz IBJXOCIKVOEBPG-NQBHXWOUSA-N -1 1 365.434 2.205 20 0 FEADMM CCC[C@@H](C(=O)OCC)n1ccc(NC([O-])=NO[C@H]2CCCCO2)n1 ZINC000824997612 675632738 /nfs/dbraw/zinc/63/27/38/675632738.db2.gz AFZACWHODSUUDY-JSGCOSHPSA-N -1 1 354.407 2.367 20 0 FEADMM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000824997612 675632740 /nfs/dbraw/zinc/63/27/40/675632740.db2.gz AFZACWHODSUUDY-JSGCOSHPSA-N -1 1 354.407 2.367 20 0 FEADMM CCC[C@@H](C(=O)OCC)n1ccc(NC([O-])=NO[C@@H]2CCCCO2)n1 ZINC000824997610 675632777 /nfs/dbraw/zinc/63/27/77/675632777.db2.gz AFZACWHODSUUDY-GXTWGEPZSA-N -1 1 354.407 2.367 20 0 FEADMM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)n1 ZINC000824997610 675632778 /nfs/dbraw/zinc/63/27/78/675632778.db2.gz AFZACWHODSUUDY-GXTWGEPZSA-N -1 1 354.407 2.367 20 0 FEADMM CCc1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n(C)n1 ZINC000825207022 675641699 /nfs/dbraw/zinc/64/16/99/675641699.db2.gz BQLRRKGVPPHGQD-UHFFFAOYSA-N -1 1 362.861 2.300 20 0 FEADMM Cn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1C(F)F ZINC000826356149 675687414 /nfs/dbraw/zinc/68/74/14/675687414.db2.gz CLMMKPGNMTZVMC-UHFFFAOYSA-N -1 1 350.767 2.194 20 0 FEADMM Cn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1C(F)F ZINC000826356149 675687418 /nfs/dbraw/zinc/68/74/18/675687418.db2.gz CLMMKPGNMTZVMC-UHFFFAOYSA-N -1 1 350.767 2.194 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1sccc1-c1nn[nH]n1 ZINC000826451468 675688706 /nfs/dbraw/zinc/68/87/06/675688706.db2.gz ICJXMUFEGHIACS-UHFFFAOYSA-N -1 1 353.367 2.276 20 0 FEADMM O=C(Oc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826468267 675688922 /nfs/dbraw/zinc/68/89/22/675688922.db2.gz JJLUISASVDEMQM-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Oc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826468267 675688924 /nfs/dbraw/zinc/68/89/24/675688924.db2.gz JJLUISASVDEMQM-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc2n[n-]c(=S)n2c1 ZINC000827527108 675762334 /nfs/dbraw/zinc/76/23/34/675762334.db2.gz XYYIFYOZLZRRDI-FOGDFJRCSA-N -1 1 352.510 2.127 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000605382009 675812432 /nfs/dbraw/zinc/81/24/32/675812432.db2.gz QJLOSGMFPHQRPE-UHFFFAOYSA-N -1 1 363.805 2.214 20 0 FEADMM O=C(c1cccc(Nc2nccs2)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000828416030 675818352 /nfs/dbraw/zinc/81/83/52/675818352.db2.gz CUUBDGQWHQXGJN-UHFFFAOYSA-N -1 1 355.427 2.420 20 0 FEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000828416425 675818415 /nfs/dbraw/zinc/81/84/15/675818415.db2.gz JEUIYFWLYRXMRY-UHFFFAOYSA-N -1 1 371.775 2.360 20 0 FEADMM CCc1nnc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1CC(C)C ZINC000829467175 675879992 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COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000619183098 676366340 /nfs/dbraw/zinc/36/63/40/676366340.db2.gz PIRKDHIWUVLAEO-AWEZNQCLSA-N -1 1 360.501 2.383 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C[C@@H]2CCCCO2)n[n-]1 ZINC000619254515 676369243 /nfs/dbraw/zinc/36/92/43/676369243.db2.gz OSRJOEXVHHESRB-STQMWFEESA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C[C@@H]2CCCCO2)[n-]1 ZINC000619254515 676369244 /nfs/dbraw/zinc/36/92/44/676369244.db2.gz OSRJOEXVHHESRB-STQMWFEESA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C[C@@H]2CCCCO2)n1 ZINC000619254515 676369245 /nfs/dbraw/zinc/36/92/45/676369245.db2.gz OSRJOEXVHHESRB-STQMWFEESA-N -1 1 352.435 2.144 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1N ZINC000619855638 676397421 /nfs/dbraw/zinc/39/74/21/676397421.db2.gz HRIGOCXQSJPXIN-SNVBAGLBSA-N -1 1 362.407 2.180 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1csc([C@H]2CCCO2)n1 ZINC000677402863 679679551 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COc1cc(N)c(Cl)cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000832054814 680082928 /nfs/dbraw/zinc/08/29/28/680082928.db2.gz SGJGEYGNHNFGOE-MRVPVSSYSA-N -1 1 352.778 2.039 20 0 FEADMM CC1=C(C(=O)N(C)C)[C@H](c2cc(F)c([O-])c(F)c2)NC(=S)N1C1CC1 ZINC000749927705 680087053 /nfs/dbraw/zinc/08/70/53/680087053.db2.gz VFXAWHHPGNUOTF-AWEZNQCLSA-N -1 1 367.421 2.426 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2F)o1 ZINC000832499791 680140506 /nfs/dbraw/zinc/14/05/06/680140506.db2.gz BOVVKWKAWYQWEW-UHFFFAOYSA-N -1 1 370.402 2.421 20 0 FEADMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000841535549 680893747 /nfs/dbraw/zinc/89/37/47/680893747.db2.gz SAOUZVMGYBIULC-NSHDSACASA-N -1 1 352.239 2.364 20 0 FEADMM Cc1cscc1C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001021327404 680149125 /nfs/dbraw/zinc/14/91/25/680149125.db2.gz QKNGUABNAJPURT-GXTWGEPZSA-N -1 1 357.435 2.144 20 0 FEADMM COC(=O)[C@@H](Cc1cncs1)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000832669494 680162566 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20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000754750013 680375241 /nfs/dbraw/zinc/37/52/41/680375241.db2.gz ZPLHWCNRSGYDEM-UHFFFAOYSA-N -1 1 367.793 2.443 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(Cl)o1 ZINC000984800727 680381031 /nfs/dbraw/zinc/38/10/31/680381031.db2.gz CNVBPXXEUXKPHY-WDEREUQCSA-N -1 1 363.801 2.457 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H](C)C(F)(F)F ZINC000984803875 680381418 /nfs/dbraw/zinc/38/14/18/680381418.db2.gz ZWOVAXWRVAWKCN-OUAUKWLOSA-N -1 1 359.348 2.095 20 0 FEADMM CSc1nc(C)c(CCC(=O)OC[C@]2(OC(C)C)CCOC2)c(=O)[n-]1 ZINC000835879796 680392980 /nfs/dbraw/zinc/39/29/80/680392980.db2.gz XQBITGZXVZCGOQ-KRWDZBQOSA-N -1 1 370.471 2.272 20 0 FEADMM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1csnn1 ZINC000836093992 680420577 /nfs/dbraw/zinc/42/05/77/680420577.db2.gz IWNAJQRKNYSWEK-QMMMGPOBSA-N -1 1 359.429 2.126 20 0 FEADMM COC1(CCNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCC1 ZINC000836474938 680474472 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CCCc1cc(=O)[n-]c(SC[C@@H]2CN=C(N3CCOCC3)S2)n1 ZINC000767032714 680896800 /nfs/dbraw/zinc/89/68/00/680896800.db2.gz HFGILFJASPQACI-LBPRGKRZSA-N -1 1 354.501 2.030 20 0 FEADMM COc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cnc1Cl ZINC000767437389 680911926 /nfs/dbraw/zinc/91/19/26/680911926.db2.gz FVDUVOBNLORCQN-UHFFFAOYSA-N -1 1 356.787 2.172 20 0 FEADMM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Br)nn2C)cc1 ZINC000841793463 680912651 /nfs/dbraw/zinc/91/26/51/680912651.db2.gz LBRRLDKJDWMURP-ZDUSSCGKSA-N -1 1 368.231 2.497 20 0 FEADMM COc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cnc1Cl ZINC000767467009 680912919 /nfs/dbraw/zinc/91/29/19/680912919.db2.gz NYTBJYXKMMAWJC-UHFFFAOYSA-N -1 1 356.787 2.172 20 0 FEADMM O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[N-]OCC(F)(F)F ZINC000768290406 680943377 /nfs/dbraw/zinc/94/33/77/680943377.db2.gz GTWOTRCZPBODBI-UHFFFAOYSA-N -1 1 361.345 2.428 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000768909932 680964648 /nfs/dbraw/zinc/96/46/48/680964648.db2.gz 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-1 1 366.483 2.297 20 0 FEADMM C[C@@H](Cn1ccc2ccccc21)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477652 691495810 /nfs/dbraw/zinc/49/58/10/691495810.db2.gz GMBFCFJCKZSWIG-SWLSCSKDSA-N -1 1 356.455 2.107 20 0 FEADMM Cc1ccc2[nH]cc(CCC(=O)N3CCSC[C@H]3c3nn[n-]n3)c2c1 ZINC000907479027 691496275 /nfs/dbraw/zinc/49/62/75/691496275.db2.gz ZSMFERPGJGCSMC-HNNXBMFYSA-N -1 1 356.455 2.239 20 0 FEADMM O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478246 691496457 /nfs/dbraw/zinc/49/64/57/691496457.db2.gz HWFQYXFACKRZPW-HUUCEWRRSA-N -1 1 359.455 2.024 20 0 FEADMM Cc1cccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1Br ZINC000907478405 691496586 /nfs/dbraw/zinc/49/65/86/691496586.db2.gz XYKSKFSKKDPLRB-SNVBAGLBSA-N -1 1 368.260 2.201 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3cccc(Br)c3)CC2)n1 ZINC000907858869 691572190 /nfs/dbraw/zinc/57/21/90/691572190.db2.gz AYLVFOSXKZUJIE-UHFFFAOYSA-N -1 1 358.217 2.108 20 0 FEADMM CCC[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1cccc(Cl)c1 ZINC000907939990 691587297 /nfs/dbraw/zinc/58/72/97/691587297.db2.gz HARQHVBSONLMPI-AWEZNQCLSA-N -1 1 363.849 2.247 20 0 FEADMM C[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000907943666 691587738 /nfs/dbraw/zinc/58/77/38/691587738.db2.gz KOGINUXXMIKGDK-VIFPVBQESA-N -1 1 370.240 2.120 20 0 FEADMM COc1cccc(C(F)(F)C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000907957342 691589736 /nfs/dbraw/zinc/58/97/36/691589736.db2.gz MSAUWVXONCEUDK-SNVBAGLBSA-N -1 1 353.325 2.282 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)Cc2cccc(C)c2)[n-]c1=O ZINC000908015700 691598740 /nfs/dbraw/zinc/59/87/40/691598740.db2.gz DOGUIEMNIQQJCG-CQSZACIVSA-N -1 1 363.439 2.166 20 0 FEADMM CCc1cccc(S(=O)(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)c1 ZINC000908015703 691598914 /nfs/dbraw/zinc/59/89/14/691598914.db2.gz DOKNTGFDABPXJC-AWEZNQCLSA-N -1 1 363.439 2.279 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000908298948 691654269 /nfs/dbraw/zinc/65/42/69/691654269.db2.gz ROQNKHCKXOTIBU-GFCCVEGCSA-N -1 1 365.455 2.437 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCc2nncn2CC1 ZINC000908717835 691717920 /nfs/dbraw/zinc/71/79/20/691717920.db2.gz PEVWZLNXRQAZRK-VIFPVBQESA-N -1 1 351.204 2.337 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1cccs1 ZINC000908746951 691721735 /nfs/dbraw/zinc/72/17/35/691721735.db2.gz LDDAMVDIKBEDBS-IUCAKERBSA-N -1 1 353.366 2.056 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@@H](CF)C(=O)[O-])c1ccccc1Cl ZINC000908749515 691722032 /nfs/dbraw/zinc/72/20/32/691722032.db2.gz TWHASLFYRMTXPI-UONOGXRCSA-N -1 1 359.829 2.445 20 0 FEADMM CC[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)Oc1ccccc1Cl ZINC000908835824 691737676 /nfs/dbraw/zinc/73/76/76/691737676.db2.gz ZNLDJALWBVRWIU-KBPBESRZSA-N -1 1 368.861 2.410 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)c1ccco1 ZINC000908876307 691745187 /nfs/dbraw/zinc/74/51/87/691745187.db2.gz SIAQURRFBIKCHD-CYBMUJFWSA-N -1 1 369.487 2.312 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N(CC(=O)[O-])C2CCCC2)ccc1F ZINC000908986737 691762194 /nfs/dbraw/zinc/76/21/94/691762194.db2.gz OUPAJOYARRZYGZ-UHFFFAOYSA-N -1 1 351.422 2.426 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909127874 691782210 /nfs/dbraw/zinc/78/22/10/691782210.db2.gz ZHFABKLEGNQFIC-LBPRGKRZSA-N -1 1 361.364 2.471 20 0 FEADMM CN1CCCC[C@H]1C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909325373 691807538 /nfs/dbraw/zinc/80/75/38/691807538.db2.gz NJZFHMULHIRGDQ-XJKSGUPXSA-N -1 1 369.259 2.349 20 0 FEADMM CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC(F)(F)F)c1 ZINC000909409163 691818847 /nfs/dbraw/zinc/81/88/47/691818847.db2.gz UFEBQISRXRUCLR-LLVKDONJSA-N -1 1 360.332 2.345 20 0 FEADMM CSc1cccc(N2C[C@H](C(=O)[N-]OCc3ccccn3)CC2=O)c1 ZINC000909526660 691831682 /nfs/dbraw/zinc/83/16/82/691831682.db2.gz TWVBLNBZJNECOG-CYBMUJFWSA-N -1 1 357.435 2.404 20 0 FEADMM CN(CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)[C@@H]1CCSC1 ZINC000909682312 691845523 /nfs/dbraw/zinc/84/55/23/691845523.db2.gz NHZBDBDQONWCCP-PBHICJAKSA-N -1 1 354.447 2.069 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2Br)C1 ZINC000909721650 691848703 /nfs/dbraw/zinc/84/87/03/691848703.db2.gz OWOGGJVJNWWHCZ-LLVKDONJSA-N -1 1 373.222 2.001 20 0 FEADMM O=C([O-])c1csc(CCNC(=O)c2ccc(CN3CCCCC3)o2)n1 ZINC000909796363 691856387 /nfs/dbraw/zinc/85/63/87/691856387.db2.gz NEYJITYYDKFVJT-UHFFFAOYSA-N -1 1 363.439 2.393 20 0 FEADMM O=C(Cc1csc(N2CCCC2=O)n1)Nc1cc([O-])c(F)cc1F ZINC000909976095 691877908 /nfs/dbraw/zinc/87/79/08/691877908.db2.gz XFSJKGSAAOVYOZ-UHFFFAOYSA-N -1 1 353.350 2.435 20 0 FEADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)c1ccc2scnc2c1 ZINC000910202471 691900036 /nfs/dbraw/zinc/90/00/36/691900036.db2.gz YHCQYLQJUZVYSK-UHFFFAOYSA-N -1 1 360.313 2.091 20 0 FEADMM C[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@@H](C(=O)[O-])O1 ZINC000910229119 691903681 /nfs/dbraw/zinc/90/36/81/691903681.db2.gz RCMRPKCYOKMMTH-APPZFPTMSA-N -1 1 355.803 2.106 20 0 FEADMM O=C([O-])CS[C@@H](CNC(=O)c1[nH]nc2c1CCCCC2)C(F)(F)F ZINC000910350525 691919039 /nfs/dbraw/zinc/91/90/39/691919039.db2.gz YJAJAIOPBAQKNH-JTQLQIEISA-N -1 1 365.377 2.157 20 0 FEADMM O=C([O-])Cc1nccnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994103 722207188 /nfs/dbraw/zinc/20/71/88/722207188.db2.gz GBFXHXJCBROCGV-HXUWFJFHSA-N -1 1 370.428 2.488 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1cccc(F)c1 ZINC001465112697 804125268 /nfs/dbraw/zinc/12/52/68/804125268.db2.gz OPCNZNXOLAQAPD-VXGBXAGGSA-N -1 1 351.346 2.090 20 0 FEADMM O=C([O-])c1ccc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000516653733 816947019 /nfs/dbraw/zinc/94/70/19/816947019.db2.gz SKQGYIPIJGHDRN-UHFFFAOYSA-N -1 1 369.469 2.185 20 0 FEADMM COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC001263630079 939828738 /nfs/dbraw/zinc/82/87/38/939828738.db2.gz ZROOXABNFUBYIK-IBGZPJMESA-N -1 1 358.394 2.137 20 0 FEADMM CN(C)C(=O)OC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000818659688 675230893 /nfs/dbraw/zinc/23/08/93/675230893.db2.gz JMKCWZQGWZZBJH-UHFFFAOYSA-N -1 1 371.231 2.458 20 0 FEADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000007708192 539463658 /nfs/dbraw/zinc/46/36/58/539463658.db2.gz FTWYSDJVFZKWSQ-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000016100069 539627401 /nfs/dbraw/zinc/62/74/01/539627401.db2.gz OYUUKKVXRSAMGB-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000015805394 539623872 /nfs/dbraw/zinc/62/38/72/539623872.db2.gz MMYKKJJSIWMQNL-SECBINFHSA-N -1 1 373.438 2.011 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)cc1 ZINC000026532321 539789041 /nfs/dbraw/zinc/78/90/41/539789041.db2.gz IBTCTEPEYCOMRQ-UHFFFAOYSA-N -1 1 365.407 2.299 20 0 FEADMM CN(C)c1nc([O-])c(CC(=O)Nc2ccc(Br)cc2)s1 ZINC000028757095 539836616 /nfs/dbraw/zinc/83/66/16/539836616.db2.gz BSVPRKLCVQVMJU-JTQLQIEISA-N -1 1 356.245 2.337 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1OC ZINC000032082609 539928420 /nfs/dbraw/zinc/92/84/20/539928420.db2.gz UMTRLYXNCCDYCM-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)o1 ZINC000032805373 539953428 /nfs/dbraw/zinc/95/34/28/539953428.db2.gz ZZEDFBFYJOTLEG-AWEZNQCLSA-N -1 1 364.423 2.174 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000035296760 539979862 /nfs/dbraw/zinc/97/98/62/539979862.db2.gz WRULIKNRSYVBJQ-LLVKDONJSA-N -1 1 355.232 2.493 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@H]2CCCO2)c1 ZINC000047431195 540310526 /nfs/dbraw/zinc/31/05/26/540310526.db2.gz AGDNERAHJHNOOZ-CYBMUJFWSA-N -1 1 370.471 2.320 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C(C1CC1)C1CC1 ZINC000050681916 540409954 /nfs/dbraw/zinc/40/99/54/540409954.db2.gz JWJVPFAYQBELKY-UHFFFAOYSA-N -1 1 352.438 2.330 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1 ZINC000055598442 540662127 /nfs/dbraw/zinc/66/21/27/540662127.db2.gz CQTBLEFLEZMHGV-UHFFFAOYSA-N -1 1 356.350 2.448 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(OCC(=O)N(C)C)c1 ZINC000055631151 540665675 /nfs/dbraw/zinc/66/56/75/540665675.db2.gz PJHKIRGTLPZOOD-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)cc1 ZINC000055682548 540670820 /nfs/dbraw/zinc/67/08/20/540670820.db2.gz MSXGOKSAVVCHIB-UHFFFAOYSA-N -1 1 356.350 2.134 20 0 FEADMM CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)c(C)c1 ZINC000055687706 540670980 /nfs/dbraw/zinc/67/09/80/540670980.db2.gz BDMPEZSNGGYVGE-UHFFFAOYSA-N -1 1 365.455 2.283 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NCc2cc[nH]n2)nc1 ZINC000536984395 540667556 /nfs/dbraw/zinc/66/75/56/540667556.db2.gz YLYQLMGSGBYCJF-UHFFFAOYSA-N -1 1 365.365 2.496 20 0 FEADMM CC[C@@H](C)n1[nH]c(=NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1C ZINC000537239750 540705280 /nfs/dbraw/zinc/70/52/80/540705280.db2.gz ZDBKHDYFLNUSLA-SECBINFHSA-N -1 1 356.386 2.473 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)cc1 ZINC000063879660 541190910 /nfs/dbraw/zinc/19/09/10/541190910.db2.gz PFGYJFIUNOURMI-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CC(C)(C)c1ccc(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000064347980 541202485 /nfs/dbraw/zinc/20/24/85/541202485.db2.gz UZEVLTYBVUCSKJ-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CC(C)(C)c1ccc(CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000064347980 541202489 /nfs/dbraw/zinc/20/24/89/541202489.db2.gz UZEVLTYBVUCSKJ-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H](C)NC(=O)c2cccs2)n[n-]c1=S ZINC000066639181 541352783 /nfs/dbraw/zinc/35/27/83/541352783.db2.gz OBDYHPAVNFZISP-SECBINFHSA-N -1 1 353.473 2.018 20 0 FEADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cn1)C1CC1 ZINC000067004890 541406505 /nfs/dbraw/zinc/40/65/05/541406505.db2.gz FBDUELYMNUVUMP-UHFFFAOYSA-N -1 1 359.407 2.166 20 0 FEADMM Cc1c(C(=O)NCCc2n[n-]c(=S)n2C)cnn1-c1ccccc1F ZINC000067051605 541410955 /nfs/dbraw/zinc/41/09/55/541410955.db2.gz WAQJRRDVRRUVOY-UHFFFAOYSA-N -1 1 360.418 2.083 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n[n-]c1=S ZINC000067072820 541413912 /nfs/dbraw/zinc/41/39/12/541413912.db2.gz ZPMZSUYZKDUCPO-GOSISDBHSA-N -1 1 374.466 2.352 20 0 FEADMM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079797 541414664 /nfs/dbraw/zinc/41/46/64/541414664.db2.gz VDKBSSCWJBCGOV-BONVTDFDSA-N -1 1 360.439 2.163 20 0 FEADMM Cc1nn2c(nc(C)cc2C)c1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067075005 541414916 /nfs/dbraw/zinc/41/49/16/541414916.db2.gz JQPKGUKRNIEBOH-UHFFFAOYSA-N -1 1 373.486 2.462 20 0 FEADMM COc1cccc2c1OC[C@H](C(=O)NCCc1n[n-]c(=S)n1C1CC1)C2 ZINC000067079661 541415031 /nfs/dbraw/zinc/41/50/31/541415031.db2.gz OHKRVOMBYOEZNU-GFCCVEGCSA-N -1 1 374.466 2.194 20 0 FEADMM CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076490 541545381 /nfs/dbraw/zinc/54/53/81/541545381.db2.gz RFYIFVBGQYATEV-UHFFFAOYSA-N -1 1 367.448 2.062 20 0 FEADMM CCOCCO[C@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424847 541590200 /nfs/dbraw/zinc/59/02/00/541590200.db2.gz WDISICRWDBDLOV-GFCCVEGCSA-N -1 1 368.503 2.423 20 0 FEADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC000068446556 541593705 /nfs/dbraw/zinc/59/37/05/541593705.db2.gz RVTUNUKXTOCWCL-UHFFFAOYSA-N -1 1 361.471 2.089 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000544058864 541707902 /nfs/dbraw/zinc/70/79/02/541707902.db2.gz LVMYQERLSIJPIG-UHFFFAOYSA-N -1 1 358.329 2.242 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)ccc1F ZINC000072619456 541839706 /nfs/dbraw/zinc/83/97/06/541839706.db2.gz MAHXLCHWFLYWIJ-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000072619463 541839776 /nfs/dbraw/zinc/83/97/76/541839776.db2.gz DGIUCTFAUCCWPS-AWEZNQCLSA-N -1 1 366.414 2.127 20 0 FEADMM O=C(OCCCN1CCOCC1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801358881 674124373 /nfs/dbraw/zinc/12/43/73/674124373.db2.gz SDVBOJDIBBIGKM-UHFFFAOYSA-N -1 1 365.817 2.110 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccn(Cc3ccccc3)n2)sc1C ZINC000551125591 674125558 /nfs/dbraw/zinc/12/55/58/674125558.db2.gz LWLKAPOTAFPMSJ-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000073435336 541954159 /nfs/dbraw/zinc/95/41/59/541954159.db2.gz GROAEYYQTNWQDW-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000074274683 542062067 /nfs/dbraw/zinc/06/20/67/542062067.db2.gz BOYLFRADPYULAE-NSHDSACASA-N -1 1 350.378 2.373 20 0 FEADMM Cc1cc(C)c(NC(=O)CNC(=O)c2nc3ccccc3c(=O)[n-]2)c(C)c1 ZINC000074272858 542062219 /nfs/dbraw/zinc/06/22/19/542062219.db2.gz ONTFNVOJUGATQM-UHFFFAOYSA-N -1 1 364.405 2.217 20 0 FEADMM COCCOC[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000075196402 542158863 /nfs/dbraw/zinc/15/88/63/542158863.db2.gz CRKWRKOICMAWRV-NSHDSACASA-N -1 1 358.232 2.280 20 0 FEADMM CCSCC[C@H](C)N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000075380847 542176196 /nfs/dbraw/zinc/17/61/96/542176196.db2.gz WMAIFEUNUMYDAQ-NSHDSACASA-N -1 1 350.488 2.172 20 0 FEADMM COCCC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075578425 542189494 /nfs/dbraw/zinc/18/94/94/542189494.db2.gz VDESNMBXVZBZFI-UHFFFAOYSA-N -1 1 362.451 2.482 20 0 FEADMM Cc1ccc2nc(-c3ccc(S(=O)(=O)NC4CC4)cc3)[n-]c(=O)c2c1 ZINC000077257396 542359717 /nfs/dbraw/zinc/35/97/17/542359717.db2.gz QGRVBEDDJYTJCJ-UHFFFAOYSA-N -1 1 355.419 2.339 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1 ZINC000078400222 542459442 /nfs/dbraw/zinc/45/94/42/542459442.db2.gz YQJKHYQNCMFIRC-GFCCVEGCSA-N -1 1 357.391 2.019 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000064467659 221147499 /nfs/dbraw/zinc/14/74/99/221147499.db2.gz HEDGAKQGLRUORI-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000064467693 221147613 /nfs/dbraw/zinc/14/76/13/221147613.db2.gz MYPVDSIMUHGVST-UHFFFAOYSA-N -1 1 360.844 2.049 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C)C2CCOCC2)n1 ZINC000551696531 674158298 /nfs/dbraw/zinc/15/82/98/674158298.db2.gz FESUJOJHEXZXAB-HNNXBMFYSA-N -1 1 369.418 2.272 20 0 FEADMM C[C@@H](CC(=O)c1ccccc1F)C(=O)NCCc1n[n-]c(=S)n1C ZINC000080038665 542559248 /nfs/dbraw/zinc/55/92/48/542559248.db2.gz YICHRWGHTPTEAK-JTQLQIEISA-N -1 1 350.419 2.185 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)n[n-]c1=S ZINC000080640839 542598786 /nfs/dbraw/zinc/59/87/86/542598786.db2.gz HZTQWCYUEHOLRY-CQSZACIVSA-N -1 1 363.462 2.380 20 0 FEADMM CC[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000080944633 542616772 /nfs/dbraw/zinc/61/67/72/542616772.db2.gz CBIBXGFRUPQSEC-SNVBAGLBSA-N -1 1 357.382 2.343 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000080947474 542618119 /nfs/dbraw/zinc/61/81/19/542618119.db2.gz CERHORUVXHHAPQ-RYUDHWBXSA-N -1 1 358.467 2.035 20 0 FEADMM Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000084936948 542723118 /nfs/dbraw/zinc/72/31/18/542723118.db2.gz HIJZXEOSAXTPBC-UHFFFAOYSA-N -1 1 358.419 2.450 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)CCC1CC1)c1noc(C)n1 ZINC000092309293 542856210 /nfs/dbraw/zinc/85/62/10/542856210.db2.gz NKXLZNJJGSFIGD-HNNXBMFYSA-N -1 1 351.428 2.196 20 0 FEADMM C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000097203326 543006642 /nfs/dbraw/zinc/00/66/42/543006642.db2.gz XFVXUVDLCQOREW-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000101524696 543028985 /nfs/dbraw/zinc/02/89/85/543028985.db2.gz QTQKWAZAKRNMTH-CYBMUJFWSA-N -1 1 366.439 2.468 20 0 FEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cccc(F)c2F)C[C@H](C)O1 ZINC000101569907 543034612 /nfs/dbraw/zinc/03/46/12/543034612.db2.gz GEZJSQNZMPZWTF-TXEJJXNPSA-N -1 1 362.442 2.131 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCc2ccc(Cl)c(Cl)c2)n1 ZINC000101664117 543040732 /nfs/dbraw/zinc/04/07/32/543040732.db2.gz JFTQRXCPXNZSII-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000101664117 543040735 /nfs/dbraw/zinc/04/07/35/543040735.db2.gz JFTQRXCPXNZSII-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cc1C ZINC000102632469 543075181 /nfs/dbraw/zinc/07/51/81/543075181.db2.gz FADBXPXSASHITG-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C2 ZINC000102935109 543086197 /nfs/dbraw/zinc/08/61/97/543086197.db2.gz GHAVOKYEJWWSCN-SNVBAGLBSA-N -1 1 373.352 2.395 20 0 FEADMM CCOc1cccc([C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000104048424 543121483 /nfs/dbraw/zinc/12/14/83/543121483.db2.gz XXSOGGLIRSRVGW-LBPRGKRZSA-N -1 1 368.437 2.458 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)ccc1O ZINC000104861950 543148136 /nfs/dbraw/zinc/14/81/36/543148136.db2.gz DIFCPAZKVINOKS-UHFFFAOYSA-N -1 1 371.784 2.076 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1cc(F)c(F)cc1F ZINC000105617197 543177911 /nfs/dbraw/zinc/17/79/11/543177911.db2.gz OKFPLTBYGDRXRI-UHFFFAOYSA-N -1 1 359.373 2.158 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000106507763 543232597 /nfs/dbraw/zinc/23/25/97/543232597.db2.gz AQTMCQDSRHXGJI-GFCCVEGCSA-N -1 1 370.359 2.210 20 0 FEADMM CCC(C)(CC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000113294257 543482590 /nfs/dbraw/zinc/48/25/90/543482590.db2.gz AHRBKKBVTALMHH-UHFFFAOYSA-N -1 1 352.453 2.054 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1c[nH]c2ccccc12 ZINC000114155567 543505026 /nfs/dbraw/zinc/50/50/26/543505026.db2.gz PYORPPWOWDAIRH-UHFFFAOYSA-N -1 1 363.421 2.370 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000114413103 543514793 /nfs/dbraw/zinc/51/47/93/543514793.db2.gz CHIMRASCWXLHJR-UHFFFAOYSA-N -1 1 367.384 2.119 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H]1CCc2ccccc21 ZINC000115386454 543564571 /nfs/dbraw/zinc/56/45/71/543564571.db2.gz DLQFMAQZCSXRTH-OAHLLOKOSA-N -1 1 350.422 2.376 20 0 FEADMM O=C(Nc1nn[n-]n1)c1oc2ccccc2c1CSc1ncccn1 ZINC000118685772 543655906 /nfs/dbraw/zinc/65/59/06/543655906.db2.gz GWLAHOLCCCKMLY-UHFFFAOYSA-N -1 1 353.367 2.281 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(OCC(C)C)c2)co1 ZINC000122665454 543716917 /nfs/dbraw/zinc/71/69/17/543716917.db2.gz GKWDKOCFYXILSC-UHFFFAOYSA-N -1 1 366.439 2.153 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)cc1Br ZINC000124509312 543826334 /nfs/dbraw/zinc/82/63/34/543826334.db2.gz XJEGUECIBWKVMF-JTQLQIEISA-N -1 1 352.236 2.455 20 0 FEADMM COc1ccc(Nc2nc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)cs2)cc1 ZINC000124574960 543830629 /nfs/dbraw/zinc/83/06/29/543830629.db2.gz WMHSMUWWWLWBOY-JTQLQIEISA-N -1 1 373.442 2.284 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)[nH]n1 ZINC000126515731 543941266 /nfs/dbraw/zinc/94/12/66/543941266.db2.gz UCFWHDGOKWCWLN-UHFFFAOYSA-N -1 1 362.455 2.462 20 0 FEADMM CCC(CC)(CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(=O)OC ZINC000128745904 544070341 /nfs/dbraw/zinc/07/03/41/544070341.db2.gz MAFMUJFHFGUZKC-UHFFFAOYSA-N -1 1 351.447 2.085 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCc3cccc(F)c3C2)c(=O)[n-]1 ZINC000128471552 544054724 /nfs/dbraw/zinc/05/47/24/544054724.db2.gz SIEXTRVBDAGKIK-UHFFFAOYSA-N -1 1 361.442 2.457 20 0 FEADMM O=C(c1ccc(F)cc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129345661 544107219 /nfs/dbraw/zinc/10/72/19/544107219.db2.gz HZLMCQIHXXEEEY-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM CN(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O ZINC000130286096 544145402 /nfs/dbraw/zinc/14/54/02/544145402.db2.gz QZKIUPKIETVNAB-UHFFFAOYSA-N -1 1 358.416 2.022 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)co1 ZINC000130355759 544148030 /nfs/dbraw/zinc/14/80/30/544148030.db2.gz VMTJFQJTXFJEDS-UHFFFAOYSA-N -1 1 354.403 2.034 20 0 FEADMM Cc1cnn(Cc2cc(C(=O)[N-]c3n[nH]c(-c4ccccc4F)n3)no2)c1 ZINC000131452326 544190789 /nfs/dbraw/zinc/19/07/89/544190789.db2.gz WJWRBEVWJCRRQD-UHFFFAOYSA-N -1 1 367.344 2.404 20 0 FEADMM COc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000133701172 544280594 /nfs/dbraw/zinc/28/05/94/544280594.db2.gz DXJKJIVZQDIXJF-LLVKDONJSA-N -1 1 366.286 2.066 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H]1CCCO1 ZINC000133053363 544253878 /nfs/dbraw/zinc/25/38/78/544253878.db2.gz TXFFMWIZTCYIOV-RYUDHWBXSA-N -1 1 358.460 2.044 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000135317383 544342285 /nfs/dbraw/zinc/34/22/85/544342285.db2.gz MAANIIURAUEDGL-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM CCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1nn[n-]n1 ZINC000136668455 544376216 /nfs/dbraw/zinc/37/62/16/544376216.db2.gz DRGLMLPITXDCTE-MRXNPFEDSA-N -1 1 371.420 2.341 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3cccs3)CC2)co1 ZINC000152402749 544648787 /nfs/dbraw/zinc/64/87/87/544648787.db2.gz YOMZLDWGJWUFPQ-UHFFFAOYSA-N -1 1 352.437 2.179 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000152548843 544666494 /nfs/dbraw/zinc/66/64/94/544666494.db2.gz CCGMUTUKCULTPS-ZIAGYGMSSA-N -1 1 365.499 2.197 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nn1-c1cccc(Cl)c1 ZINC000152573145 544669312 /nfs/dbraw/zinc/66/93/12/544669312.db2.gz BUHNWOMNTPCLLQ-LBPRGKRZSA-N -1 1 371.832 2.367 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nn1-c1cc(C)cc(C)c1 ZINC000152574635 544669479 /nfs/dbraw/zinc/66/94/79/544669479.db2.gz YXKRCXHZGXWWJG-OAHLLOKOSA-N -1 1 365.441 2.330 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)[C@H]2COc3ccccc32)c(=O)[n-]1 ZINC000152588284 544670914 /nfs/dbraw/zinc/67/09/14/544670914.db2.gz ZUCGKGPSBVTFJX-IUODEOHRSA-N -1 1 373.478 2.414 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000153266326 544753897 /nfs/dbraw/zinc/75/38/97/544753897.db2.gz JGPDXXGGINXNKX-SNVBAGLBSA-N -1 1 365.883 2.027 20 0 FEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000153538342 544788562 /nfs/dbraw/zinc/78/85/62/544788562.db2.gz LIXHUBWTOKUSTR-OAHLLOKOSA-N -1 1 350.440 2.281 20 0 FEADMM O=C([O-])CCCCN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000181581744 327737209 /nfs/dbraw/zinc/73/72/09/327737209.db2.gz MXSPGTWBWZZVOZ-UHFFFAOYSA-N -1 1 350.444 2.171 20 0 FEADMM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000181585883 327737324 /nfs/dbraw/zinc/73/73/24/327737324.db2.gz CVSKERYVTLTPLT-UHFFFAOYSA-N -1 1 374.890 2.226 20 0 FEADMM Cc1ccc(C[C@@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000181902166 327751617 /nfs/dbraw/zinc/75/16/17/327751617.db2.gz KBEFDTKISIOXKR-CYBMUJFWSA-N -1 1 352.438 2.443 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc(Cl)cn1 ZINC000182167974 327763839 /nfs/dbraw/zinc/76/38/39/327763839.db2.gz DHIIDLHFDZGIRK-UHFFFAOYSA-N -1 1 359.817 2.349 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000182860495 327791458 /nfs/dbraw/zinc/79/14/58/327791458.db2.gz OJKPFXAAFATKCG-OAHLLOKOSA-N -1 1 360.797 2.412 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)CS(C)(=O)=O)c1 ZINC000182921209 327793695 /nfs/dbraw/zinc/79/36/95/327793695.db2.gz RUECHRXMWKLLOA-MRVPVSSYSA-N -1 1 350.234 2.082 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC[C@H]1CCCCO1 ZINC000184351074 327863562 /nfs/dbraw/zinc/86/35/62/327863562.db2.gz HZNOPQHVGCJGIC-OAHLLOKOSA-N -1 1 360.458 2.450 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)c1Cl ZINC000186178845 327950241 /nfs/dbraw/zinc/95/02/41/327950241.db2.gz LZKQHCZKZUMEFQ-UHFFFAOYSA-N -1 1 363.830 2.009 20 0 FEADMM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000186862685 327987087 /nfs/dbraw/zinc/98/70/87/327987087.db2.gz XEWXZJGMHGNAPR-QLJPJBMISA-N -1 1 369.343 2.137 20 0 FEADMM O=C([N-]CCCN1CCO[C@@H](c2ccc(F)cc2F)C1)C(F)(F)F ZINC000187248525 328011034 /nfs/dbraw/zinc/01/10/34/328011034.db2.gz AHQJDNONPBBQKB-CYBMUJFWSA-N -1 1 352.303 2.407 20 0 FEADMM O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)c1nc2ncncc2[n-]1 ZINC000187481226 328028815 /nfs/dbraw/zinc/02/88/15/328028815.db2.gz YRCTYLRZOOTPHS-UHFFFAOYSA-N -1 1 359.342 2.121 20 0 FEADMM O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)c1nc2cncnc2[n-]1 ZINC000187481226 328028816 /nfs/dbraw/zinc/02/88/16/328028816.db2.gz YRCTYLRZOOTPHS-UHFFFAOYSA-N -1 1 359.342 2.121 20 0 FEADMM O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)c1nc2c[n-]cnc-2n1 ZINC000187481226 328028818 /nfs/dbraw/zinc/02/88/18/328028818.db2.gz YRCTYLRZOOTPHS-UHFFFAOYSA-N -1 1 359.342 2.121 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000188225583 328074173 /nfs/dbraw/zinc/07/41/73/328074173.db2.gz UWZSJPYFFHDIEH-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000188354551 328082362 /nfs/dbraw/zinc/08/23/62/328082362.db2.gz BHTJWTDXVNKNQT-GFCCVEGCSA-N -1 1 359.369 2.294 20 0 FEADMM Cc1nc2nc(S(=O)(=O)CC[C@@H]3CCCO3)[n-]c2cc1Br ZINC000188941492 328119199 /nfs/dbraw/zinc/11/91/99/328119199.db2.gz WXDAKUMZSOMQMK-VIFPVBQESA-N -1 1 374.260 2.372 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)CC[C@@H]3CCCO3)nc-2cc1Br ZINC000188941492 328119201 /nfs/dbraw/zinc/11/92/01/328119201.db2.gz WXDAKUMZSOMQMK-VIFPVBQESA-N -1 1 374.260 2.372 20 0 FEADMM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000189357291 328142811 /nfs/dbraw/zinc/14/28/11/328142811.db2.gz UDWXAUJDBSNLKO-UHFFFAOYSA-N -1 1 365.155 2.216 20 0 FEADMM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000189471074 328150300 /nfs/dbraw/zinc/15/03/00/328150300.db2.gz BOPZHPHEDBNRRR-FQEVSTJZSA-N -1 1 368.437 2.477 20 0 FEADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000190389775 328205021 /nfs/dbraw/zinc/20/50/21/328205021.db2.gz KSMIYJOYEBVPAH-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000193318938 328368638 /nfs/dbraw/zinc/36/86/38/328368638.db2.gz NXEHKLMFIFMVKE-CQSZACIVSA-N -1 1 362.451 2.393 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000193979712 328404934 /nfs/dbraw/zinc/40/49/34/328404934.db2.gz PUVFAWIMSOTAGD-OAHLLOKOSA-N -1 1 368.842 2.459 20 0 FEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000194647553 328433978 /nfs/dbraw/zinc/43/39/78/328433978.db2.gz XFEDZADRMIJECE-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCO[C@H]2CCCC[C@H]2C)n1 ZINC000195075900 328454943 /nfs/dbraw/zinc/45/49/43/328454943.db2.gz QRJMHVBMLPXCOR-OCCSQVGLSA-N -1 1 353.488 2.136 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCO[C@@H]2CCCC[C@H]2C)n1 ZINC000195075885 328454988 /nfs/dbraw/zinc/45/49/88/328454988.db2.gz QRJMHVBMLPXCOR-TZMCWYRMSA-N -1 1 353.488 2.136 20 0 FEADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccnn2C)c1 ZINC000030651237 324461009 /nfs/dbraw/zinc/46/10/09/324461009.db2.gz CGPWONOAMBGRSK-UHFFFAOYSA-N -1 1 356.455 2.356 20 0 FEADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@H]1CCOC1 ZINC000230897140 328487512 /nfs/dbraw/zinc/48/75/12/328487512.db2.gz YQLUTPLDWQZLRB-WPRPVWTQSA-N -1 1 361.179 2.152 20 0 FEADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc2NC1=O ZINC000049659734 324684446 /nfs/dbraw/zinc/68/44/46/324684446.db2.gz OVIZPUIOGZCFJK-UHFFFAOYSA-N -1 1 374.418 2.488 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1 ZINC000078237876 325036747 /nfs/dbraw/zinc/03/67/47/325036747.db2.gz RSVMMDUZYSJEBB-UHFFFAOYSA-N -1 1 366.414 2.396 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000081720883 325194163 /nfs/dbraw/zinc/19/41/63/325194163.db2.gz QFVQJVNDOYQKRR-GFCCVEGCSA-N -1 1 356.426 2.133 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2ccccn21)c1cc2ccccc2o1 ZINC000084939284 325247394 /nfs/dbraw/zinc/24/73/94/325247394.db2.gz PRVKMNXDDBFOQF-UHFFFAOYSA-N -1 1 356.407 2.387 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](O)C3)c2)c1 ZINC000085378024 325251403 /nfs/dbraw/zinc/25/14/03/325251403.db2.gz FXVJWYVSAGGFSO-INIZCTEOSA-N -1 1 360.435 2.003 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1O)c1sccc1Br ZINC000085988609 325261374 /nfs/dbraw/zinc/26/13/74/325261374.db2.gz QLBCCZURCVTSQZ-SCZZXKLOSA-N -1 1 354.291 2.340 20 0 FEADMM O=S(=O)([N-]CC1(O)CCCCC1)c1sccc1Br ZINC000087030154 325270921 /nfs/dbraw/zinc/27/09/21/325270921.db2.gz BFRLMSBXKGYCNM-UHFFFAOYSA-N -1 1 354.291 2.484 20 0 FEADMM Cn1c(CCNC(=O)CCC(=O)c2ccc(F)c(F)c2)n[n-]c1=S ZINC000087301954 325278465 /nfs/dbraw/zinc/27/84/65/325278465.db2.gz VNSSDSWQXDCPGZ-UHFFFAOYSA-N -1 1 354.382 2.078 20 0 FEADMM NC(=O)CO[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000089465248 325317299 /nfs/dbraw/zinc/31/72/99/325317299.db2.gz YRNJVPDFPSCGIS-UHFFFAOYSA-N -1 1 355.369 2.440 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccc(OCC(F)F)nc2)n[n-]c1=S ZINC000090565175 325364481 /nfs/dbraw/zinc/36/44/81/325364481.db2.gz JIRKTZIGOWPFBE-UHFFFAOYSA-N -1 1 357.386 2.490 20 0 FEADMM CC[C@H](CSC)N(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000091146732 325375241 /nfs/dbraw/zinc/37/52/41/325375241.db2.gz MIFZYHDNZAYRKL-CQSZACIVSA-N -1 1 360.483 2.283 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000091980801 325399373 /nfs/dbraw/zinc/39/93/73/325399373.db2.gz FCUYJWQNZMAJQZ-ZDUSSCGKSA-N -1 1 369.259 2.092 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000102876832 325500143 /nfs/dbraw/zinc/50/01/43/325500143.db2.gz QZOSVYJWWPUZAR-QGZVFWFLSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCCOc2ccccc21 ZINC000104878491 325549164 /nfs/dbraw/zinc/54/91/64/325549164.db2.gz GTLJMXZVGIPYKG-INIZCTEOSA-N -1 1 366.421 2.212 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1F ZINC000105592091 325569674 /nfs/dbraw/zinc/56/96/74/325569674.db2.gz CGHOKKJALMBGAB-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccncc1[O-] ZINC000109891595 325680099 /nfs/dbraw/zinc/68/00/99/325680099.db2.gz ZZLBIRVSVNNNRM-SSDOTTSWSA-N -1 1 370.228 2.368 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)Nc1ccccc1 ZINC000112090825 325754294 /nfs/dbraw/zinc/75/42/94/325754294.db2.gz FBRKMJQSQILKBX-VIFPVBQESA-N -1 1 358.341 2.409 20 0 FEADMM CCCCN(CC)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000116614477 326027331 /nfs/dbraw/zinc/02/73/31/326027331.db2.gz FZVLIKIARBCGHK-UHFFFAOYSA-N -1 1 365.459 2.087 20 0 FEADMM CCCCN(CC)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000116614477 326027335 /nfs/dbraw/zinc/02/73/35/326027335.db2.gz FZVLIKIARBCGHK-UHFFFAOYSA-N -1 1 365.459 2.087 20 0 FEADMM CCC[C@H]1SCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000118649176 326095705 /nfs/dbraw/zinc/09/57/05/326095705.db2.gz CETDPNFLJHHSDV-MRXNPFEDSA-N -1 1 358.467 2.384 20 0 FEADMM CCCNC(=O)c1cccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000119156426 326132486 /nfs/dbraw/zinc/13/24/86/326132486.db2.gz JGIVIGSFEMJHBD-UHFFFAOYSA-N -1 1 353.382 2.066 20 0 FEADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@H](c2ccsc2)O1 ZINC000119348205 326152603 /nfs/dbraw/zinc/15/26/03/326152603.db2.gz WHCWGBQKJNCLSC-IINYFYTJSA-N -1 1 358.423 2.338 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@@](C)(c3ccccc3)C1)c2=O ZINC000119348535 326152659 /nfs/dbraw/zinc/15/26/59/326152659.db2.gz JUUAOWZWOOOLPM-LJQANCHMSA-N -1 1 352.394 2.062 20 0 FEADMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119437080 326162219 /nfs/dbraw/zinc/16/22/19/326162219.db2.gz SVSXXFOKDDWFLD-RDDDGLTNSA-N -1 1 372.231 2.413 20 0 FEADMM CCC[C@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)c1nn[n-]n1 ZINC000119625693 326182181 /nfs/dbraw/zinc/18/21/81/326182181.db2.gz QQDFQBBKYHISQY-LBPRGKRZSA-N -1 1 365.825 2.218 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119927541 326212996 /nfs/dbraw/zinc/21/29/96/326212996.db2.gz CNXHQILUOBAUHQ-HNNXBMFYSA-N -1 1 374.462 2.186 20 0 FEADMM CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000120150944 326235216 /nfs/dbraw/zinc/23/52/16/326235216.db2.gz WELJXNATBHJFRO-HNNXBMFYSA-N -1 1 362.451 2.088 20 0 FEADMM COc1cccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000121959172 326378402 /nfs/dbraw/zinc/37/84/02/326378402.db2.gz UQJPCMAPEXFIJG-INIZCTEOSA-N -1 1 369.465 2.341 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H](O)Cc1ccccc1 ZINC000129226317 326536686 /nfs/dbraw/zinc/53/66/86/326536686.db2.gz JYMIODNRPVETGF-ZWNOBZJWSA-N -1 1 359.369 2.374 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cc(F)c(F)c(F)c3)cc2n(C)c1=O ZINC000130465650 326557356 /nfs/dbraw/zinc/55/73/56/326557356.db2.gz AOZXXZOFMVQBHI-UHFFFAOYSA-N -1 1 371.340 2.095 20 0 FEADMM O=S(=O)([N-]c1c(F)cccc1CO)c1cnn(-c2ccccc2F)c1 ZINC000158897226 326911214 /nfs/dbraw/zinc/91/12/14/326911214.db2.gz GIFJUQZEQWYAQJ-UHFFFAOYSA-N -1 1 365.361 2.444 20 0 FEADMM C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164614315 327072412 /nfs/dbraw/zinc/07/24/12/327072412.db2.gz QARFFEDGGJQNBF-OLZOCXBDSA-N -1 1 361.467 2.440 20 0 FEADMM COC(=O)[C@H]1CCCN(C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000170714220 327095159 /nfs/dbraw/zinc/09/51/59/327095159.db2.gz WMTRQPOVNYFOKA-AWEZNQCLSA-N -1 1 374.466 2.328 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000174377236 327323386 /nfs/dbraw/zinc/32/33/86/327323386.db2.gz WSLOKENDPLYCNF-RHSMWYFYSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1cc(N2CC[C@@H](NC(=O)c3cc4ccccc4cc3[O-])C2=O)n(C)n1 ZINC000174595661 327337187 /nfs/dbraw/zinc/33/71/87/327337187.db2.gz WRSFHZFJTADOMX-MRXNPFEDSA-N -1 1 364.405 2.123 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CCC4)cc2[nH]1 ZINC000175008562 327367699 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NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000179537084 546973564 /nfs/dbraw/zinc/97/35/64/546973564.db2.gz WKUOLXGMMGQMPG-NXEZZACHSA-N -1 1 368.361 2.060 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000482116159 561248695 /nfs/dbraw/zinc/24/86/95/561248695.db2.gz XHWZNLDGASMIMD-MRXNPFEDSA-N -1 1 369.396 2.408 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1F ZINC000180199154 547067175 /nfs/dbraw/zinc/06/71/75/547067175.db2.gz SKXKULCGACSLHG-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000482582225 561256333 /nfs/dbraw/zinc/25/63/33/561256333.db2.gz VJJDYXIVKGBSIK-SNVBAGLBSA-N -1 1 357.248 2.437 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2cnccn2)CC1 ZINC000180378268 547094722 /nfs/dbraw/zinc/09/47/22/547094722.db2.gz KRVRFFQMXFWNND-UHFFFAOYSA-N -1 1 352.316 2.163 20 0 FEADMM CCCCCn1nc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000482615940 561256856 /nfs/dbraw/zinc/25/68/56/561256856.db2.gz RXBCIZIRPCMBTG-UHFFFAOYSA-N -1 1 354.432 2.135 20 0 FEADMM O=C1NCCN1Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000180532937 547126286 /nfs/dbraw/zinc/12/62/86/547126286.db2.gz PULULYNUXBJNAG-UHFFFAOYSA-N -1 1 367.377 2.291 20 0 FEADMM O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ncccc1[O-] ZINC000483519328 561278921 /nfs/dbraw/zinc/27/89/21/561278921.db2.gz MBUNZXMRXMJRSQ-NSHDSACASA-N -1 1 365.311 2.341 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@H](c3cccc(F)c3)C1)c2=O ZINC000181916832 547403845 /nfs/dbraw/zinc/40/38/45/547403845.db2.gz GJKTVQVGTCEEDD-HNNXBMFYSA-N -1 1 356.357 2.027 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CCCc3ccccc32)o1 ZINC000182038217 547426274 /nfs/dbraw/zinc/42/62/74/547426274.db2.gz YTOHVPHIVQPBQY-GOSISDBHSA-N -1 1 362.451 2.212 20 0 FEADMM CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cc(F)c(F)c([O-])c3F)C2)CC1 ZINC000182877282 547564421 /nfs/dbraw/zinc/56/44/21/547564421.db2.gz HUJGUGIOAIPRQM-LBPRGKRZSA-N -1 1 371.403 2.052 20 0 FEADMM CON(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000183094999 547601280 /nfs/dbraw/zinc/60/12/80/547601280.db2.gz GJFVJCNUTKFEDX-UHFFFAOYSA-N -1 1 364.405 2.273 20 0 FEADMM C[C@@H](CN(C)C(=O)C=Cc1ccc(Br)s1)c1nn[n-]n1 ZINC000183425240 547657077 /nfs/dbraw/zinc/65/70/77/547657077.db2.gz JDPRIQAORWVCPL-JQTRYQTASA-N -1 1 356.249 2.299 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000484438073 561297901 /nfs/dbraw/zinc/29/79/01/561297901.db2.gz YNTUIGVBVCHPFB-UHFFFAOYSA-N -1 1 371.260 2.102 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCC[C@@H]2CCCCO2)c(=O)[n-]1 ZINC000183489434 547670448 /nfs/dbraw/zinc/67/04/48/547670448.db2.gz JVAMGMMEMKDNKP-ZDUSSCGKSA-N -1 1 353.488 2.198 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(Br)cn2)n1 ZINC000484553357 561299745 /nfs/dbraw/zinc/29/97/45/561299745.db2.gz CADJBBWNQJMXIH-UHFFFAOYSA-N -1 1 371.216 2.085 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCCOc2ccc(Cl)cc2)n1 ZINC000484558980 561299909 /nfs/dbraw/zinc/29/99/09/561299909.db2.gz SHPFLPYRNUKHSZ-UHFFFAOYSA-N -1 1 369.830 2.137 20 0 FEADMM COCC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000184670384 547863368 /nfs/dbraw/zinc/86/33/68/547863368.db2.gz HZMOLOCYUCZQJS-UHFFFAOYSA-N -1 1 360.435 2.331 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)sc1C(=O)[O-] ZINC000184958682 547907359 /nfs/dbraw/zinc/90/73/59/547907359.db2.gz FZFZWAVDPXEDOD-GMXVVIOVSA-N -1 1 374.528 2.399 20 0 FEADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000185619723 548010167 /nfs/dbraw/zinc/01/01/67/548010167.db2.gz AFDOYFPBKSJTHW-KBPBESRZSA-N -1 1 352.456 2.407 20 0 FEADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC[C@H]1O ZINC000186755153 548185225 /nfs/dbraw/zinc/18/52/25/548185225.db2.gz RMXVOSLJAUPELJ-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM CC(=O)NC1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000486099340 561338152 /nfs/dbraw/zinc/33/81/52/561338152.db2.gz WXHYUFQYBJQOIV-UHFFFAOYSA-N -1 1 355.232 2.332 20 0 FEADMM Cc1cc(Br)cn2c(/C=C\c3cc(=O)n4[n-]cnc4n3)cnc12 ZINC000486123993 561338699 /nfs/dbraw/zinc/33/86/99/561338699.db2.gz NTBDUQSBGIICTD-IHWYPQMZSA-N -1 1 371.198 2.307 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 ZINC000194748786 548526373 /nfs/dbraw/zinc/52/63/73/548526373.db2.gz LVDKTHZUPVOOCF-SFHVURJKSA-N -1 1 373.478 2.246 20 0 FEADMM CCOC(=O)[C@@H]([N-]C(=O)C(F)F)c1ccc(OC)c(Br)c1 ZINC000194844236 548539993 /nfs/dbraw/zinc/53/99/93/548539993.db2.gz DBLPBOMEEZSMMB-JTQLQIEISA-N -1 1 366.158 2.443 20 0 FEADMM CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195127015 548580744 /nfs/dbraw/zinc/58/07/44/548580744.db2.gz WXHJZPQLSZABCS-WDEREUQCSA-N -1 1 368.434 2.078 20 0 FEADMM CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195127015 548580748 /nfs/dbraw/zinc/58/07/48/548580748.db2.gz WXHJZPQLSZABCS-WDEREUQCSA-N -1 1 368.434 2.078 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000195129723 548582826 /nfs/dbraw/zinc/58/28/26/548582826.db2.gz PIMANUUVKPLWHR-LLVKDONJSA-N -1 1 374.397 2.412 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195129723 548582828 /nfs/dbraw/zinc/58/28/28/548582828.db2.gz PIMANUUVKPLWHR-LLVKDONJSA-N -1 1 374.397 2.412 20 0 FEADMM CCN(C(=O)[C@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1)c1ccccc1 ZINC000195177264 548591455 /nfs/dbraw/zinc/59/14/55/548591455.db2.gz NRSOPTGMBHILOZ-LBPRGKRZSA-N -1 1 364.471 2.318 20 0 FEADMM CCN(C(=O)[C@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1)c1ccccc1 ZINC000195177264 548591461 /nfs/dbraw/zinc/59/14/61/548591461.db2.gz NRSOPTGMBHILOZ-LBPRGKRZSA-N -1 1 364.471 2.318 20 0 FEADMM CCN(C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1)c1ccccc1 ZINC000195177264 548591464 /nfs/dbraw/zinc/59/14/64/548591464.db2.gz NRSOPTGMBHILOZ-LBPRGKRZSA-N -1 1 364.471 2.318 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487386514 561368759 /nfs/dbraw/zinc/36/87/59/561368759.db2.gz IBOUWKXBFYEGKI-IUODEOHRSA-N -1 1 357.385 2.266 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2ccc(I)c([O-])c2)CC[N@@H+]1C ZINC000230897122 548760924 /nfs/dbraw/zinc/76/09/24/548760924.db2.gz JURCYGDVSXKQRY-GXSJLCMTSA-N -1 1 374.222 2.209 20 0 FEADMM NS(=O)(=O)c1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000236299111 548767202 /nfs/dbraw/zinc/76/72/02/548767202.db2.gz ZQZZRBXUGGMIHC-UHFFFAOYSA-N -1 1 371.212 2.054 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000237214042 548809227 /nfs/dbraw/zinc/80/92/27/548809227.db2.gz BIDWEBCVCOLXBN-UHFFFAOYSA-N -1 1 367.449 2.062 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCNCC2)c1 ZINC000237675469 548843337 /nfs/dbraw/zinc/84/33/37/548843337.db2.gz BFZJNRKRDVISQW-UHFFFAOYSA-N -1 1 373.478 2.150 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CO)cc1 ZINC000488261075 561387163 /nfs/dbraw/zinc/38/71/63/561387163.db2.gz FQSWNHZYKLWJQM-CYBMUJFWSA-N -1 1 362.451 2.160 20 0 FEADMM CCC[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)C(N)=O ZINC000488442774 561389947 /nfs/dbraw/zinc/38/99/47/561389947.db2.gz FUWFKTVTFILNIB-JTQLQIEISA-N -1 1 366.215 2.087 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1Cl ZINC000489222417 561406097 /nfs/dbraw/zinc/40/60/97/561406097.db2.gz LGOFIEBKWODMBJ-VIFPVBQESA-N -1 1 351.765 2.187 20 0 FEADMM CN1CC[C@@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)[C@H]1c1ccccc1 ZINC000247922161 549391444 /nfs/dbraw/zinc/39/14/44/549391444.db2.gz BZLLHIBCZXXAGJ-QZTJIDSGSA-N -1 1 373.478 2.233 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)sc1C(=O)[O-] ZINC000248860452 549515732 /nfs/dbraw/zinc/51/57/32/549515732.db2.gz FZFZWAVDPXEDOD-NQBHXWOUSA-N -1 1 374.528 2.399 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000249706823 549617504 /nfs/dbraw/zinc/61/75/04/549617504.db2.gz OWPUSGMWPADOHT-IUODEOHRSA-N -1 1 368.499 2.400 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000263068760 549875404 /nfs/dbraw/zinc/87/54/04/549875404.db2.gz REDHUBTWPHKMAZ-KRWDZBQOSA-N -1 1 363.801 2.293 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)NCCCC(=O)[O-])N1CCCCC1 ZINC000263139782 549880839 /nfs/dbraw/zinc/88/08/39/549880839.db2.gz ZPBAZCAGIIMIHC-INIZCTEOSA-N -1 1 363.458 2.386 20 0 FEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2CC)o1 ZINC000490571325 561435460 /nfs/dbraw/zinc/43/54/60/561435460.db2.gz PCHDPONSRUEZHN-UHFFFAOYSA-N -1 1 370.427 2.356 20 0 FEADMM CCOC(=O)c1nn(-c2ccccc2)cc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000263513340 549906407 /nfs/dbraw/zinc/90/64/07/549906407.db2.gz NZWCIWDHHIZUDU-LJQANCHMSA-N -1 1 357.410 2.346 20 0 FEADMM COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CC(=O)NCC(=O)[O-])c1 ZINC000263565434 549909284 /nfs/dbraw/zinc/90/92/84/549909284.db2.gz FMZBNRPNXQYSFF-GHTZIAJQSA-N -1 1 368.433 2.427 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000263852560 549945880 /nfs/dbraw/zinc/94/58/80/549945880.db2.gz OFUPMCYJUMHQRD-UHFFFAOYSA-N -1 1 368.480 2.483 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@]1(C)CCCS1 ZINC000268271502 550042766 /nfs/dbraw/zinc/04/27/66/550042766.db2.gz MFUBIBGXOSUCCU-SFHVURJKSA-N -1 1 358.467 2.497 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)C2CC2)cc1 ZINC000268362336 550054571 /nfs/dbraw/zinc/05/45/71/550054571.db2.gz GIKVBQDVAKKULA-GOSISDBHSA-N -1 1 374.462 2.297 20 0 FEADMM COCc1nnc(S(=O)(=O)[C@H](C)c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000268494259 550076210 /nfs/dbraw/zinc/07/62/10/550076210.db2.gz PPTCLZNQTMUAMA-MRVPVSSYSA-N -1 1 365.333 2.385 20 0 FEADMM COCc1nc(S(=O)(=O)[C@H](C)c2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000268494259 550076214 /nfs/dbraw/zinc/07/62/14/550076214.db2.gz PPTCLZNQTMUAMA-MRVPVSSYSA-N -1 1 365.333 2.385 20 0 FEADMM COc1ccc2cc([C@H](C)C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)ccc2c1 ZINC000492248817 561450501 /nfs/dbraw/zinc/45/05/01/561450501.db2.gz COLJYPFIBAUXTE-JTQLQIEISA-N -1 1 374.422 2.112 20 0 FEADMM COc1ccc2cc([C@H](C)C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)ccc2c1 ZINC000492248817 561450502 /nfs/dbraw/zinc/45/05/02/561450502.db2.gz COLJYPFIBAUXTE-JTQLQIEISA-N -1 1 374.422 2.112 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c1 ZINC000270069278 550246686 /nfs/dbraw/zinc/24/66/86/550246686.db2.gz YVALCFJCOSTUOT-CYBMUJFWSA-N -1 1 351.380 2.258 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)c1 ZINC000270066993 550246883 /nfs/dbraw/zinc/24/68/83/550246883.db2.gz YFVACMDCTFCROH-CYBMUJFWSA-N -1 1 371.411 2.351 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000271281539 550360558 /nfs/dbraw/zinc/36/05/58/550360558.db2.gz QQQXABSFOFSXSO-MEBBXXQBSA-N -1 1 371.386 2.260 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@]2(C)CCCO)c(=O)[n-]1 ZINC000271283993 550361169 /nfs/dbraw/zinc/36/11/69/550361169.db2.gz LABXYIKUMPQKJG-KRWDZBQOSA-N -1 1 353.488 2.299 20 0 FEADMM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000274278937 550530849 /nfs/dbraw/zinc/53/08/49/550530849.db2.gz YKPHHGWGAZCBHM-SECBINFHSA-N -1 1 368.846 2.390 20 0 FEADMM CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000274910978 550564140 /nfs/dbraw/zinc/56/41/40/550564140.db2.gz KOJATJJLIXBPDW-HNNXBMFYSA-N -1 1 365.455 2.072 20 0 FEADMM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]C)o3)cc2O1 ZINC000276949732 550614655 /nfs/dbraw/zinc/61/46/55/550614655.db2.gz QLHYCTWJXJZTGH-INIZCTEOSA-N -1 1 366.395 2.337 20 0 FEADMM COc1ccc(NC(=O)C2Cc3ccccc3C2)cc1[N-]S(C)(=O)=O ZINC000277510182 550679018 /nfs/dbraw/zinc/67/90/18/550679018.db2.gz WDUVPPQQVXJCIC-UHFFFAOYSA-N -1 1 360.435 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000277685226 550701291 /nfs/dbraw/zinc/70/12/91/550701291.db2.gz KUGZDUHPJDHVME-UHFFFAOYSA-N -1 1 364.352 2.279 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C=Cc3ccc(O)cc3)CC2)n1 ZINC000277718419 550706039 /nfs/dbraw/zinc/70/60/39/550706039.db2.gz NFNLWNFGZSECLA-VMPITWQZSA-N -1 1 370.409 2.106 20 0 FEADMM [O-]c1ccc(-c2noc(CN3CCN(c4ccccn4)CC3)n2)cc1F ZINC000278114256 550750709 /nfs/dbraw/zinc/75/07/09/550750709.db2.gz IXLMUJCRGSOUCD-UHFFFAOYSA-N -1 1 355.373 2.299 20 0 FEADMM COC(=O)C[C@@](C)(NC(=O)c1ncc(C)cc1[O-])c1cccc(OC)c1 ZINC000495195808 561484189 /nfs/dbraw/zinc/48/41/89/561484189.db2.gz WOXYSLJPHCCQGP-LJQANCHMSA-N -1 1 358.394 2.313 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C3(c4ccc(F)cc4)CCOCC3)ccnc1-2 ZINC000279122990 550856637 /nfs/dbraw/zinc/85/66/37/550856637.db2.gz APVBWPBTJLZFAL-KQWNVCNZSA-N -1 1 354.385 2.168 20 0 FEADMM Cc1sc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])nc1C(C)C ZINC000279649465 550912604 /nfs/dbraw/zinc/91/26/04/550912604.db2.gz DJKHXTYAMWMYPP-UHFFFAOYSA-N -1 1 369.468 2.109 20 0 FEADMM CO[C@@]1(C)CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000279932316 550944290 /nfs/dbraw/zinc/94/42/90/550944290.db2.gz HYRWYBUGSXZARC-IBGZPJMESA-N -1 1 360.458 2.402 20 0 FEADMM Cc1ccc(F)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1Br ZINC000280294466 550977609 /nfs/dbraw/zinc/97/76/09/550977609.db2.gz QGPAURQGWJVUNG-QMMMGPOBSA-N -1 1 356.199 2.285 20 0 FEADMM CCC(CC)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(N)=O ZINC000280627329 551014817 /nfs/dbraw/zinc/01/48/17/551014817.db2.gz SLKSUSUVSBDWJY-UHFFFAOYSA-N -1 1 357.234 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC000280561001 551007811 /nfs/dbraw/zinc/00/78/11/551007811.db2.gz AJJPSJGIIWDFTR-GXFFZTMASA-N -1 1 372.805 2.266 20 0 FEADMM CN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCC1=O ZINC000280609733 551012939 /nfs/dbraw/zinc/01/29/39/551012939.db2.gz QHXBZLJHQUBDKH-QMMMGPOBSA-N -1 1 355.218 2.032 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1Cl ZINC000280838747 551037958 /nfs/dbraw/zinc/03/79/58/551037958.db2.gz XDVDXMLUQTUFPT-OIBJUYFYSA-N -1 1 365.764 2.325 20 0 FEADMM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000281373669 551089395 /nfs/dbraw/zinc/08/93/95/551089395.db2.gz XZZBQAUKYXTHDN-UHFFFAOYSA-N -1 1 362.773 2.096 20 0 FEADMM CCOC(=O)[C@]1(COC)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000281460214 551100346 /nfs/dbraw/zinc/10/03/46/551100346.db2.gz FSSUIURXMVIGKV-QGZVFWFLSA-N -1 1 355.818 2.478 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2cccc3[nH]ncc32)CC1)C(F)(F)F ZINC000281660056 551127254 /nfs/dbraw/zinc/12/72/54/551127254.db2.gz IUNKCERYLBVACI-UHFFFAOYSA-N -1 1 354.332 2.094 20 0 FEADMM CCOCC1(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])CC1 ZINC000281909620 551156202 /nfs/dbraw/zinc/15/62/02/551156202.db2.gz IOKPVSAEIYHTRG-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nn[n-]n1 ZINC000497359059 561499297 /nfs/dbraw/zinc/49/92/97/561499297.db2.gz ADPUZYRAUIHFRN-UHFFFAOYSA-N -1 1 366.406 2.200 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1ccc2ccccc2c1 ZINC000282426509 551227259 /nfs/dbraw/zinc/22/72/59/551227259.db2.gz FTFVNFDGNFQBJS-MLGOLLRUSA-N -1 1 351.424 2.008 20 0 FEADMM CCCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000282760107 551267372 /nfs/dbraw/zinc/26/73/72/551267372.db2.gz TYXXOSWPNUVSBM-ZDUSSCGKSA-N -1 1 370.471 2.178 20 0 FEADMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)OC)ccc2[O-])C1 ZINC000282782986 551270194 /nfs/dbraw/zinc/27/01/94/551270194.db2.gz MMKDCSGFHYQGEU-TZMCWYRMSA-N -1 1 362.426 2.402 20 0 FEADMM O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282815684 551273757 /nfs/dbraw/zinc/27/37/57/551273757.db2.gz BVSATAOESRXCIR-VIFPVBQESA-N -1 1 371.224 2.190 20 0 FEADMM Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282864155 551279318 /nfs/dbraw/zinc/27/93/18/551279318.db2.gz HVNMNEBGJOQNEV-LLVKDONJSA-N -1 1 373.438 2.072 20 0 FEADMM CCCCN(C)c1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282871785 551280314 /nfs/dbraw/zinc/28/03/14/551280314.db2.gz IONZEJCTIVJAFI-OAHLLOKOSA-N -1 1 357.458 2.354 20 0 FEADMM O=C(c1ccc(Br)cc1F)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282923105 551285783 /nfs/dbraw/zinc/28/57/83/551285783.db2.gz NZFBRLMSVYQLOV-MRVPVSSYSA-N -1 1 369.194 2.019 20 0 FEADMM CN1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)[C@H](c2ccccc2)C1 ZINC000282979861 551293026 /nfs/dbraw/zinc/29/30/26/551293026.db2.gz NFAOTLOVSJBVEX-HNNXBMFYSA-N -1 1 353.451 2.147 20 0 FEADMM COc1ccc(C[C@H](C)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1OC ZINC000283046045 551302819 /nfs/dbraw/zinc/30/28/19/551302819.db2.gz HDCVXSZGCYNMID-DRYIHEDISA-N -1 1 354.410 2.176 20 0 FEADMM COC(=O)[C@]1(C)CN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1C ZINC000283224296 551331901 /nfs/dbraw/zinc/33/19/01/551331901.db2.gz IELHMZFYYQBVNT-RFAUZJTJSA-N -1 1 356.216 2.426 20 0 FEADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283373914 551355895 /nfs/dbraw/zinc/35/58/95/551355895.db2.gz VSFRSAYKMCGSPD-UHFFFAOYSA-N -1 1 356.451 2.431 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CSC1(C)C ZINC000283438174 551366206 /nfs/dbraw/zinc/36/62/06/551366206.db2.gz SXMVJOTYYALVKO-AWEZNQCLSA-N -1 1 358.467 2.495 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc3c(c2)OCC3(C)C)cc1C(=O)[O-] ZINC000530141857 562399599 /nfs/dbraw/zinc/39/95/99/562399599.db2.gz OAIPBRLXRAXAHS-UHFFFAOYSA-N -1 1 350.396 2.194 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c([O-])c1 ZINC000285688998 551795660 /nfs/dbraw/zinc/79/56/60/551795660.db2.gz ODXVKJHQGIDQRM-UHFFFAOYSA-N -1 1 369.421 2.325 20 0 FEADMM COc1ccc(NC(=O)NC[C@H]2CCCSC2)cc1[N-]S(C)(=O)=O ZINC000286901190 551938208 /nfs/dbraw/zinc/93/82/08/551938208.db2.gz AIDJESRSDAOTII-LLVKDONJSA-N -1 1 373.500 2.331 20 0 FEADMM Brc1cc2c(cc1CNC1(c3nn[n-]n3)CCCC1)OCO2 ZINC000499248372 561546733 /nfs/dbraw/zinc/54/67/33/561546733.db2.gz XQPKRCNAHVMJJV-UHFFFAOYSA-N -1 1 366.219 2.250 20 0 FEADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000499337322 561549189 /nfs/dbraw/zinc/54/91/89/561549189.db2.gz DDTPBEWFTBYENS-UHFFFAOYSA-N -1 1 373.390 2.007 20 0 FEADMM Cc1cnccc1OC1CCN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000287600054 552023870 /nfs/dbraw/zinc/02/38/70/552023870.db2.gz MIYHDPQJFDMFOU-KQWNVCNZSA-N -1 1 366.425 2.121 20 0 FEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)on1 ZINC000287617217 552025882 /nfs/dbraw/zinc/02/58/82/552025882.db2.gz AQUCMDVLDDQFJA-UHFFFAOYSA-N -1 1 372.472 2.472 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C(=O)Nc3ccc(OC(C)(C)C)cc3)ccnc1-2 ZINC000287896383 552060198 /nfs/dbraw/zinc/06/01/98/552060198.db2.gz UJHRUKSMMSTPFW-HAHDFKILSA-N -1 1 367.409 2.096 20 0 FEADMM C[C@H]1CCN(C(=O)C(=O)c2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000287959171 552068121 /nfs/dbraw/zinc/06/81/21/552068121.db2.gz AGBJIMQMICEDAN-GVXVVHGQSA-N -1 1 356.344 2.173 20 0 FEADMM COc1cc(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)ccc1F ZINC000287960513 552068379 /nfs/dbraw/zinc/06/83/79/552068379.db2.gz UZDMJWMHPIECDO-UHFFFAOYSA-N -1 1 358.369 2.071 20 0 FEADMM O=S(=O)([N-]Cc1nccn1C(F)F)c1cccnc1C(F)(F)F ZINC000288245644 552118254 /nfs/dbraw/zinc/11/82/54/552118254.db2.gz SQONPIGUYPSXSG-UHFFFAOYSA-N -1 1 356.276 2.171 20 0 FEADMM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000289049477 552258186 /nfs/dbraw/zinc/25/81/86/552258186.db2.gz MVSALUHOOWOOLU-KRWDZBQOSA-N -1 1 363.421 2.368 20 0 FEADMM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1c(F)ccc([O-])c1F ZINC000289115654 552268596 /nfs/dbraw/zinc/26/85/96/552268596.db2.gz NERIILAUWYNNCO-AWEZNQCLSA-N -1 1 362.376 2.301 20 0 FEADMM O=C(c1cccc(CN2CCCC[C@@H]2c2nc(=O)[n-][nH]2)c1)N1CCCCC1 ZINC000289395206 552313910 /nfs/dbraw/zinc/31/39/10/552313910.db2.gz RLZZXVLDUSPOFT-QGZVFWFLSA-N -1 1 369.469 2.451 20 0 FEADMM CN(C)c1cccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000289830494 552385174 /nfs/dbraw/zinc/38/51/74/552385174.db2.gz QFRKTBJJYXTJDX-LLVKDONJSA-N -1 1 373.379 2.070 20 0 FEADMM COC(=O)c1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290259491 552449959 /nfs/dbraw/zinc/44/99/59/552449959.db2.gz APMBRRWSWXBFQL-NSHDSACASA-N -1 1 372.343 2.004 20 0 FEADMM CC(C)n1nccc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000290436267 552478914 /nfs/dbraw/zinc/47/89/14/552478914.db2.gz KJUQPKIVQXKOML-GVXVVHGQSA-N -1 1 360.380 2.382 20 0 FEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)Cc1ccccc1N(C)C ZINC000290577601 552501237 /nfs/dbraw/zinc/50/12/37/552501237.db2.gz HITNSKXXKKGWIF-AWEZNQCLSA-N -1 1 359.392 2.414 20 0 FEADMM Cc1ncc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290914920 552561132 /nfs/dbraw/zinc/56/11/32/552561132.db2.gz WUVIYXSHCIKDDT-SNVBAGLBSA-N -1 1 364.393 2.052 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000291191414 552598086 /nfs/dbraw/zinc/59/80/86/552598086.db2.gz UADNRMXAZVBSAJ-UHFFFAOYSA-N -1 1 368.362 2.179 20 0 FEADMM C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000291542573 552635718 /nfs/dbraw/zinc/63/57/18/552635718.db2.gz LJNUEKNPIFEMFH-ZPHJMFTNSA-N -1 1 365.380 2.365 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccccc2)C2CC2)c1 ZINC000292221405 552705693 /nfs/dbraw/zinc/70/56/93/552705693.db2.gz MHYMUYYQDVREGZ-QGZVFWFLSA-N -1 1 360.435 2.433 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(Cc3ccccc3)CC2)c1 ZINC000292254093 552709165 /nfs/dbraw/zinc/70/91/65/552709165.db2.gz PBWCWXJRTXVEDB-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)[C@H]3CCN(c4ccccc4Cl)C3)ccnc1-2 ZINC000292311512 552714720 /nfs/dbraw/zinc/71/47/20/552714720.db2.gz NMAMQXYTNYOJJJ-DRYIHEDISA-N -1 1 355.829 2.460 20 0 FEADMM COc1cccc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292649142 552746187 /nfs/dbraw/zinc/74/61/87/552746187.db2.gz XPMSXNSBMUWSEG-BXUZGUMPSA-N -1 1 358.360 2.296 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ncnc2c1ncn2C1CC1 ZINC000292733643 552753687 /nfs/dbraw/zinc/75/36/87/552753687.db2.gz MJEPOZNHLKJJBI-MWLCHTKSSA-N -1 1 368.363 2.197 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000292787139 552758466 /nfs/dbraw/zinc/75/84/66/552758466.db2.gz XPCPWENQLZLRDC-SNVBAGLBSA-N -1 1 353.304 2.205 20 0 FEADMM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000293287976 552807540 /nfs/dbraw/zinc/80/75/40/552807540.db2.gz INEMWQFFCBHOLX-CQSZACIVSA-N -1 1 365.499 2.268 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c(C(F)(F)F)n1 ZINC000293482430 552828240 /nfs/dbraw/zinc/82/82/40/552828240.db2.gz MLWSGQSYVPERDW-NEPJUHHUSA-N -1 1 359.373 2.348 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c(C(F)(F)F)n1 ZINC000293618092 552840967 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FEADMM CCCc1noc2nc(CC)cc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c12 ZINC000502827725 561626806 /nfs/dbraw/zinc/62/68/06/561626806.db2.gz WIZBOICFBCVKBN-JTQLQIEISA-N -1 1 357.418 2.127 20 0 FEADMM CSCC[C@H](NC(N)=O)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000600084585 553215380 /nfs/dbraw/zinc/21/53/80/553215380.db2.gz DGSSDHGDONBBKP-VIFPVBQESA-N -1 1 353.473 2.175 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)n2)c1 ZINC000503248259 561637974 /nfs/dbraw/zinc/63/79/74/561637974.db2.gz UPFLQMGFZBJNIP-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1 ZINC000298302817 553410231 /nfs/dbraw/zinc/41/02/31/553410231.db2.gz HGLAPDKEMCZFQJ-UHFFFAOYSA-N -1 1 369.464 2.080 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)o1 ZINC000298517430 553435290 /nfs/dbraw/zinc/43/52/90/553435290.db2.gz RYDLEYNTSGUUBK-SECBINFHSA-N -1 1 374.365 2.280 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)o1 ZINC000298530995 553436669 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Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000299554140 553580327 /nfs/dbraw/zinc/58/03/27/553580327.db2.gz DNCCNNMEQOBVAO-UHFFFAOYSA-N -1 1 365.411 2.417 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c([O-])c1 ZINC000299632402 553592287 /nfs/dbraw/zinc/59/22/87/553592287.db2.gz OAHIXDHGHSQSOX-UHFFFAOYSA-N -1 1 369.421 2.355 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccn(-c4ccncc4)n3)ccc2O1 ZINC000505321937 561669634 /nfs/dbraw/zinc/66/96/34/561669634.db2.gz AJZDGXACRMWUFR-GFCCVEGCSA-N -1 1 356.407 2.392 20 0 FEADMM C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(=O)[O-] ZINC000313981366 553758524 /nfs/dbraw/zinc/75/85/24/553758524.db2.gz PTGHDTXQVJCPHA-GWCFXTLKSA-N -1 1 355.232 2.430 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)c1 ZINC000324606875 553772992 /nfs/dbraw/zinc/77/29/92/553772992.db2.gz NFDXLSXGCCCUHJ-UHFFFAOYSA-N -1 1 351.380 2.126 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)ccc1O ZINC000325833523 553778376 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CCC[C@@]1(CO)CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000332738052 554505113 /nfs/dbraw/zinc/50/51/13/554505113.db2.gz XMPAMRXIURENMZ-KRWDZBQOSA-N -1 1 372.487 2.124 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000510583966 561839675 /nfs/dbraw/zinc/83/96/75/561839675.db2.gz KWMZRZQLNNPDBH-CYBMUJFWSA-N -1 1 369.370 2.180 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cc([C@H]4CCCOC4)n[nH]3)cn21 ZINC000333167066 554582619 /nfs/dbraw/zinc/58/26/19/554582619.db2.gz MYESHUJDRVWLPM-NEPJUHHUSA-N -1 1 365.459 2.198 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)sc1C ZINC000333222556 554590988 /nfs/dbraw/zinc/59/09/88/554590988.db2.gz DZEKSIJWGXBIBO-UHFFFAOYSA-N -1 1 365.480 2.018 20 0 FEADMM CC(C)c1nc([C@@H]2CCCCN2C(=O)N=c2nc3n([n-]2)CCCC3)n[nH]1 ZINC000333709728 554635636 /nfs/dbraw/zinc/63/56/36/554635636.db2.gz SSDAEMVVPZDXKK-LBPRGKRZSA-N -1 1 358.450 2.615 20 0 FEADMM COc1cccc(N(CC(C)C)C(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000511053779 561854945 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C[N-]S(=O)(=O)c1ccc(-c2nc([C@H](Cc3ccccc3)OC)no2)o1 ZINC000351142355 554839671 /nfs/dbraw/zinc/83/96/71/554839671.db2.gz KISZQPSBHCOPIZ-ZDUSSCGKSA-N -1 1 363.395 2.168 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)o1 ZINC000361088107 554903692 /nfs/dbraw/zinc/90/36/92/554903692.db2.gz UIGSYDVJOFBARJ-UHFFFAOYSA-N -1 1 362.367 2.042 20 0 FEADMM CC[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCCC1=O ZINC000363280194 555069731 /nfs/dbraw/zinc/06/97/31/555069731.db2.gz JPYUBLSIGWALPQ-KRWDZBQOSA-N -1 1 358.438 2.215 20 0 FEADMM CC(C)[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCCC1=O ZINC000363341148 555081771 /nfs/dbraw/zinc/08/17/71/555081771.db2.gz FRHMKNQWWLQLQX-LJQANCHMSA-N -1 1 372.465 2.461 20 0 FEADMM Cc1csc([C@@H](C)NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000363364207 555086676 /nfs/dbraw/zinc/08/66/76/555086676.db2.gz MHZPUMGGMWWWKJ-GFCCVEGCSA-N -1 1 369.450 2.325 20 0 FEADMM COC(=O)c1cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc(C)c1C ZINC000511988992 561888171 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O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000364695727 555376767 /nfs/dbraw/zinc/37/67/67/555376767.db2.gz KFHYBSNZAYWDSS-UPJWGTAASA-N -1 1 368.224 2.210 20 0 FEADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617363953 555426229 /nfs/dbraw/zinc/42/62/29/555426229.db2.gz APHFLXUYQDAPCF-UHFFFAOYSA-N -1 1 373.438 2.331 20 0 FEADMM Cn1cnnc1-c1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000365068438 555477682 /nfs/dbraw/zinc/47/76/82/555477682.db2.gz ZVMQCNIPIWZKGK-UHFFFAOYSA-N -1 1 364.408 2.043 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCCC3(C)C)CC2)n1 ZINC000365198407 555508803 /nfs/dbraw/zinc/50/88/03/555508803.db2.gz MLNIPMYAKBXTSL-CYBMUJFWSA-N -1 1 363.462 2.449 20 0 FEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1 ZINC000365793669 555668790 /nfs/dbraw/zinc/66/87/90/555668790.db2.gz HDFGEIAMPICVPH-UHFFFAOYSA-N -1 1 372.406 2.200 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2C)o1 ZINC000513551640 561942622 /nfs/dbraw/zinc/94/26/22/561942622.db2.gz DFLJHXFBVKEUTN-HNNXBMFYSA-N -1 1 362.451 2.343 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3cc(C)ccc3CC2(C)C)co1 ZINC000513694642 561947024 /nfs/dbraw/zinc/94/70/24/561947024.db2.gz SOQCBASIGTUSEJ-UHFFFAOYSA-N -1 1 362.451 2.473 20 0 FEADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3c[nH]nc3-c3ccccc3F)cnc1-2 ZINC000513794008 561950171 /nfs/dbraw/zinc/95/01/71/561950171.db2.gz IQLKDIQWHQQSPK-UHFFFAOYSA-N -1 1 352.329 2.455 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2OC)c1 ZINC000513847463 561952409 /nfs/dbraw/zinc/95/24/09/561952409.db2.gz LNOWBXLXTBMVIM-YOEHRIQHSA-N -1 1 365.407 2.083 20 0 FEADMM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366654804 555900258 /nfs/dbraw/zinc/90/02/58/555900258.db2.gz MKYVTPAJVPJQDH-GFCCVEGCSA-N -1 1 372.816 2.457 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCOc3c(C)cc(C)cc32)co1 ZINC000366862134 555954014 /nfs/dbraw/zinc/95/40/14/555954014.db2.gz FZBBFPGXOKNNOP-CQSZACIVSA-N -1 1 364.423 2.058 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(c1)COC2 ZINC000367418644 556043104 /nfs/dbraw/zinc/04/31/04/556043104.db2.gz JGQGWWCKSLMIST-UHFFFAOYSA-N -1 1 362.389 2.352 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000514751260 561977790 /nfs/dbraw/zinc/97/77/90/561977790.db2.gz GCOURJYTGSXRCA-UHFFFAOYSA-N -1 1 371.846 2.467 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000514813642 561981048 /nfs/dbraw/zinc/98/10/48/561981048.db2.gz HDNSZLUDXJYXRX-STQMWFEESA-N -1 1 370.375 2.312 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc(Cl)c1[O-] ZINC000368139438 556227815 /nfs/dbraw/zinc/22/78/15/556227815.db2.gz QZMNIJUJAUTUNO-GFCCVEGCSA-N -1 1 367.833 2.074 20 0 FEADMM CN(C)c1nc2ccc(NC(=O)c3ccc(-c4nc(=O)o[n-]4)cc3)cc2[nH]1 ZINC000515374009 562007824 /nfs/dbraw/zinc/00/78/24/562007824.db2.gz OZWWUDXCRMKNJK-UHFFFAOYSA-N -1 1 364.365 2.225 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(S(C)(=O)=O)cc2)[n-]c1=O ZINC000515748631 562020924 /nfs/dbraw/zinc/02/09/24/562020924.db2.gz NOEUPBMTJLCWLY-LUAWRHEFSA-N -1 1 362.407 2.323 20 0 FEADMM Cc1nc([C@@H]2COCCN2C(=O)c2cc(Br)ccc2[O-])no1 ZINC000369282908 556564116 /nfs/dbraw/zinc/56/41/16/556564116.db2.gz KDROJXYBUDKZNZ-NSHDSACASA-N -1 1 368.187 2.060 20 0 FEADMM Cc1nc([C@H]2CCCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)no1 ZINC000370015023 556758148 /nfs/dbraw/zinc/75/81/48/556758148.db2.gz BHIALNVZVKGBGK-LBPRGKRZSA-N -1 1 359.430 2.499 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000370601284 556918575 /nfs/dbraw/zinc/91/85/75/556918575.db2.gz HFPKVBSFPSAHDT-UHFFFAOYSA-N -1 1 360.723 2.398 20 0 FEADMM O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370852830 556991447 /nfs/dbraw/zinc/99/14/47/556991447.db2.gz PJTDIHXMJRLIOT-MRXNPFEDSA-N -1 1 371.347 2.359 20 0 FEADMM C[C@@H](CCS(C)(=O)=O)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000517330651 562085295 /nfs/dbraw/zinc/08/52/95/562085295.db2.gz NIOBTWVMQKBUCV-VIFPVBQESA-N -1 1 356.831 2.147 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000517346503 562086260 /nfs/dbraw/zinc/08/62/60/562086260.db2.gz UOEVVDUWFPZVEV-UHFFFAOYSA-N -1 1 354.746 2.164 20 0 FEADMM COCCn1cc2c(n1)[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)CCC2 ZINC000371646635 557249698 /nfs/dbraw/zinc/24/96/98/557249698.db2.gz PFVMBXNIEYQVRL-CQSZACIVSA-N -1 1 371.409 2.164 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000371679862 557261017 /nfs/dbraw/zinc/26/10/17/557261017.db2.gz UHTXSWYUOJVBBQ-UHFFFAOYSA-N -1 1 372.406 2.449 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3cccs3)C[C@@H]2C)o1 ZINC000371740454 557279796 /nfs/dbraw/zinc/27/97/96/557279796.db2.gz DOLULOLLSCIMLZ-WDEREUQCSA-N -1 1 354.453 2.267 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)CC1 ZINC000371854141 557312061 /nfs/dbraw/zinc/31/20/61/557312061.db2.gz VRYSPDHMHJEGDU-UHFFFAOYSA-N -1 1 374.890 2.453 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@@H](c3ccco3)C2)c(=O)[n-]1 ZINC000371890772 557321038 /nfs/dbraw/zinc/32/10/38/557321038.db2.gz WTYJNLXGNFAPRM-CQSZACIVSA-N -1 1 363.439 2.338 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000372152574 557394169 /nfs/dbraw/zinc/39/41/69/557394169.db2.gz KESHLGNOJOLKLX-SFHVURJKSA-N -1 1 357.435 2.484 20 0 FEADMM COc1ncc(C=CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000372281422 557428511 /nfs/dbraw/zinc/42/85/11/557428511.db2.gz INEOQPMSIIIXKX-FARCUNLSSA-N -1 1 367.405 2.326 20 0 FEADMM O=C1CCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000519164970 562126346 /nfs/dbraw/zinc/12/63/46/562126346.db2.gz ZLBSPXNQNRWVPJ-UHFFFAOYSA-N -1 1 370.780 2.260 20 0 FEADMM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000519781143 562143784 /nfs/dbraw/zinc/14/37/84/562143784.db2.gz ZUEBYUKRCRFHJU-UHFFFAOYSA-N -1 1 370.833 2.416 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)ccc1F ZINC000373088838 557625453 /nfs/dbraw/zinc/62/54/53/557625453.db2.gz RZVOCTPFPXKPEO-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)[C@@H](C)CC)CC2)n1 ZINC000373108371 557630305 /nfs/dbraw/zinc/63/03/05/557630305.db2.gz BDTIYRJPNACEAW-RYUDHWBXSA-N -1 1 351.451 2.305 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc12 ZINC000519856830 562146769 /nfs/dbraw/zinc/14/67/69/562146769.db2.gz KYASLONFXOZDII-UHFFFAOYSA-N -1 1 372.406 2.013 20 0 FEADMM C[C@@H]1NC(c2nc(-c3ccc([O-])c(F)c3)no2)=NN(c2ccccc2)C1=O ZINC000373186242 557646354 /nfs/dbraw/zinc/64/63/54/557646354.db2.gz DHQOOFCIRPEBJB-JTQLQIEISA-N -1 1 367.340 2.268 20 0 FEADMM COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)nn1 ZINC000373398480 557686667 /nfs/dbraw/zinc/68/66/67/557686667.db2.gz KLERVXLUBAPWCI-ZDUSSCGKSA-N -1 1 366.377 2.011 20 0 FEADMM C[C@@H](NC(=O)[C@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ccc(F)cc1 ZINC000373831593 557768834 /nfs/dbraw/zinc/76/88/34/557768834.db2.gz NPNOHKSNCHKYPX-NEPJUHHUSA-N -1 1 361.421 2.095 20 0 FEADMM CCc1ccc([C@H]2CN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CCN2)cc1 ZINC000374347509 557869271 /nfs/dbraw/zinc/86/92/71/557869271.db2.gz VLNVYISYGMKWFF-QGZVFWFLSA-N -1 1 365.437 2.023 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)NC(=O)CCN3C)c1 ZINC000374405972 557880008 /nfs/dbraw/zinc/88/00/08/557880008.db2.gz YDXCVTKFOIEVRW-UHFFFAOYSA-N -1 1 369.377 2.210 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCC2(CCO2)CC1 ZINC000374428793 557882887 /nfs/dbraw/zinc/88/28/87/557882887.db2.gz LBZVWSIEURUBMZ-UHFFFAOYSA-N -1 1 373.190 2.392 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000375101537 557978266 /nfs/dbraw/zinc/97/82/66/557978266.db2.gz QMGQQGMUAYIXDX-LJQANCHMSA-N -1 1 366.446 2.332 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1C[C@@H](O)C2(CC2)C1 ZINC000375286826 558004582 /nfs/dbraw/zinc/00/45/82/558004582.db2.gz KSIPHCWJPOLMKQ-QGZVFWFLSA-N -1 1 372.446 2.084 20 0 FEADMM NC(=O)[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C(F)(F)F ZINC000375469492 558032898 /nfs/dbraw/zinc/03/28/98/558032898.db2.gz MDLCFQKMBPKFJN-CHWSQXEVSA-N -1 1 352.312 2.281 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375579399 558052055 /nfs/dbraw/zinc/05/20/55/558052055.db2.gz VIZAZCNTTULCPY-FZMZJTMJSA-N -1 1 372.874 2.061 20 0 FEADMM CCc1nc(C)c(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000521652433 562181314 /nfs/dbraw/zinc/18/13/14/562181314.db2.gz AJGXNCRILNNEJV-UHFFFAOYSA-N -1 1 369.443 2.145 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)COc2c(C)cccc2C)o1 ZINC000521689725 562182302 /nfs/dbraw/zinc/18/23/02/562182302.db2.gz JOANSIZEGUKUSO-ZDUSSCGKSA-N -1 1 367.423 2.429 20 0 FEADMM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3sccc3C)C2=O)c1 ZINC000376763107 558218599 /nfs/dbraw/zinc/21/85/99/558218599.db2.gz CBFPZTPJBVDKAB-QGZVFWFLSA-N -1 1 359.407 2.177 20 0 FEADMM CCOCCO[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000376938838 558241860 /nfs/dbraw/zinc/24/18/60/558241860.db2.gz FIXCUVBXTTVPFU-ZBFHGGJFSA-N -1 1 354.834 2.334 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CC23CCOCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377099605 558266008 /nfs/dbraw/zinc/26/60/08/558266008.db2.gz FVVRHNSBLQOLLM-RVMXOQNASA-N -1 1 362.392 2.107 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000377124931 558271764 /nfs/dbraw/zinc/27/17/64/558271764.db2.gz ZSYLXDHNEQHCDW-QWHCGFSZSA-N -1 1 370.380 2.180 20 0 FEADMM COCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000377164874 558279535 /nfs/dbraw/zinc/27/95/35/558279535.db2.gz YRBIELYKOKNJBM-WFASDCNBSA-N -1 1 374.359 2.052 20 0 FEADMM COc1ccccc1C1CC([N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000377594081 558373062 /nfs/dbraw/zinc/37/30/62/558373062.db2.gz VMMWJCIGSSUDHH-UHFFFAOYSA-N -1 1 355.847 2.307 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000522545868 562199677 /nfs/dbraw/zinc/19/96/77/562199677.db2.gz LKCOLFZNCSNHJX-IUODEOHRSA-N -1 1 356.426 2.169 20 0 FEADMM CCN(C[C@H](C)OC)C(=O)c1ccc(I)c([O-])c1 ZINC000383076533 558604925 /nfs/dbraw/zinc/60/49/25/558604925.db2.gz YLSZFNRIBJZVFM-VIFPVBQESA-N -1 1 363.195 2.494 20 0 FEADMM CC[C@@H]1COCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000523759199 562219282 /nfs/dbraw/zinc/21/92/82/562219282.db2.gz IDMXCQPDQCJVSE-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000407974448 558634732 /nfs/dbraw/zinc/63/47/32/558634732.db2.gz AZGLZZYASWHBSK-UHFFFAOYSA-N -1 1 369.465 2.288 20 0 FEADMM C[N@H+]1CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000408194761 558655599 /nfs/dbraw/zinc/65/55/99/558655599.db2.gz IXKGBBPJKQVEGV-UHFFFAOYSA-N -1 1 364.243 2.068 20 0 FEADMM O=S(=O)([N-]CC1(O)CCCCCC1)c1ccc(Br)o1 ZINC000408212968 558657057 /nfs/dbraw/zinc/65/70/57/558657057.db2.gz BDWLAKJXSANATB-UHFFFAOYSA-N -1 1 352.250 2.406 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000408227231 558658489 /nfs/dbraw/zinc/65/84/89/558658489.db2.gz AOFTYFJSETWRKY-AWEZNQCLSA-N -1 1 355.442 2.433 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccs1 ZINC000409548972 558702227 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368.437 2.437 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1(F)F ZINC000427676299 559760236 /nfs/dbraw/zinc/76/02/36/559760236.db2.gz FMMOOTNWXDLZPP-SNVBAGLBSA-N -1 1 364.414 2.474 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)cnc1C ZINC000427749721 559761398 /nfs/dbraw/zinc/76/13/98/559761398.db2.gz RDMJLXSDFCLZLC-UHFFFAOYSA-N -1 1 366.443 2.289 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ncccc1[O-])c1ccc(OC)c(Cl)c1 ZINC000427810606 559763192 /nfs/dbraw/zinc/76/31/92/559763192.db2.gz IOJSFXAUDXCXCY-CYBMUJFWSA-N -1 1 350.758 2.093 20 0 FEADMM CC(C)CN1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@H](C)C1=O ZINC000428580131 559778896 /nfs/dbraw/zinc/77/88/96/559778896.db2.gz JYOOOPDZPIWRDV-LLVKDONJSA-N -1 1 369.259 2.484 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000428786525 559783363 /nfs/dbraw/zinc/78/33/63/559783363.db2.gz NVVYKZPNUONGLR-WMLDXEAASA-N -1 1 370.453 2.153 20 0 FEADMM COc1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)ccc1[N-]S(C)(=O)=O ZINC000429420644 559798262 /nfs/dbraw/zinc/79/82/62/559798262.db2.gz DHDKQDVATODHBV-SMDDNHRTSA-N -1 1 353.444 2.473 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cn1C ZINC000431142551 559834870 /nfs/dbraw/zinc/83/48/70/559834870.db2.gz FSYANMLIPUSYIJ-UHFFFAOYSA-N -1 1 362.329 2.420 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1C ZINC000431181720 559835543 /nfs/dbraw/zinc/83/55/43/559835543.db2.gz SSHGNRUFIWVLLA-UHFFFAOYSA-N -1 1 363.395 2.395 20 0 FEADMM COc1ccc(NC(=O)N2CC(C)=C[C@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000432241818 559854718 /nfs/dbraw/zinc/85/47/18/559854718.db2.gz SRILVPFWDAJPCY-NSHDSACASA-N -1 1 353.444 2.497 20 0 FEADMM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(OC)cc3OC)n2)o1 ZINC000432682711 559863052 /nfs/dbraw/zinc/86/30/52/559863052.db2.gz UJVSACMEBFJYLU-UHFFFAOYSA-N -1 1 372.337 2.121 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCC=C(C)C)c2)n1 ZINC000434424142 559900172 /nfs/dbraw/zinc/90/01/72/559900172.db2.gz IMNZDYXTFNFISB-UHFFFAOYSA-N -1 1 357.414 2.414 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000436147806 559936045 /nfs/dbraw/zinc/93/60/45/559936045.db2.gz AXMCFMGKSFIGKR-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)NCCOc1cccc(F)c1 ZINC000436250150 559938380 /nfs/dbraw/zinc/93/83/80/559938380.db2.gz BZPMXLUUVQIPTB-UHFFFAOYSA-N -1 1 363.414 2.486 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 ZINC000436502226 559943351 /nfs/dbraw/zinc/94/33/51/559943351.db2.gz GVADOBQFEOFPTI-INIZCTEOSA-N -1 1 350.415 2.304 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(CN3CCOCC3)c2)c1 ZINC000436503775 559943404 /nfs/dbraw/zinc/94/34/04/559943404.db2.gz KWQJAAAIPTVJDO-UHFFFAOYSA-N -1 1 370.405 2.263 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(N3CCCNC3=O)c2)c1 ZINC000436502735 559943587 /nfs/dbraw/zinc/94/35/87/559943587.db2.gz DHIQLPYKTHZEFD-UHFFFAOYSA-N -1 1 369.377 2.351 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000436504177 559943601 /nfs/dbraw/zinc/94/36/01/559943601.db2.gz IZKYNIQMZRKSRC-XNJGSVPQSA-N -1 1 364.442 2.251 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000436511997 559943920 /nfs/dbraw/zinc/94/39/20/559943920.db2.gz WUKIIVDFOBJNTM-UHFFFAOYSA-N -1 1 354.362 2.323 20 0 FEADMM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436541319 559944754 /nfs/dbraw/zinc/94/47/54/559944754.db2.gz ZOFCUSADFMFCRI-CQSZACIVSA-N -1 1 374.872 2.381 20 0 FEADMM COc1ccc(C[C@H](CO)CNC(=O)c2cc(Cl)ccc2[O-])cc1O ZINC000436583661 559946005 /nfs/dbraw/zinc/94/60/05/559946005.db2.gz KORNTTIYBJESTF-LBPRGKRZSA-N -1 1 365.813 2.341 20 0 FEADMM COc1ccc(C[C@H](CO)CNC(=O)c2ccc(Cl)cc2[O-])cc1O ZINC000436582642 559946030 /nfs/dbraw/zinc/94/60/30/559946030.db2.gz DZRBXANBRQAUKC-LBPRGKRZSA-N -1 1 365.813 2.341 20 0 FEADMM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000436604679 559946332 /nfs/dbraw/zinc/94/63/32/559946332.db2.gz JNYRPQQRZIAZAZ-UHFFFAOYSA-N -1 1 363.391 2.413 20 0 FEADMM O=C(NCc1ccc(OCCO)cc1)c1cc(Br)ccc1[O-] ZINC000436603067 559946421 /nfs/dbraw/zinc/94/64/21/559946421.db2.gz LHYXHBBLSPJCTN-UHFFFAOYSA-N -1 1 366.211 2.456 20 0 FEADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000436655773 559947963 /nfs/dbraw/zinc/94/79/63/559947963.db2.gz NKFDOJIQUMFJOV-GFCCVEGCSA-N -1 1 368.817 2.054 20 0 FEADMM O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000436670492 559948334 /nfs/dbraw/zinc/94/83/34/559948334.db2.gz GHMVPYDWVRJFLO-LBPRGKRZSA-N -1 1 352.740 2.039 20 0 FEADMM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cc(Br)ccc1[O-] ZINC000436715134 559949710 /nfs/dbraw/zinc/94/97/10/559949710.db2.gz OJDRFPJSDBPQMI-GXFFZTMASA-N -1 1 360.248 2.043 20 0 FEADMM O=C(CNC(=O)c1ccc(C(F)(F)F)cc1[O-])NCCc1ccccc1 ZINC000436764332 559951308 /nfs/dbraw/zinc/95/13/08/559951308.db2.gz QNQWRBUVHVYYSR-UHFFFAOYSA-N -1 1 366.339 2.500 20 0 FEADMM CCNC(=O)COc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436814107 559952888 /nfs/dbraw/zinc/95/28/88/559952888.db2.gz RFRGTSYQRIATLT-UHFFFAOYSA-N -1 1 362.813 2.491 20 0 FEADMM COc1cc2c(cc1NC(=O)c1cc(NC(C)=O)ccc1[O-])NC(=O)CC2 ZINC000436821420 559952982 /nfs/dbraw/zinc/95/29/82/559952982.db2.gz WHQQCYZELDSEKJ-UHFFFAOYSA-N -1 1 369.377 2.496 20 0 FEADMM COCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000436994019 559958943 /nfs/dbraw/zinc/95/89/43/559958943.db2.gz KDOIZEAGHQIMOY-UHFFFAOYSA-N -1 1 351.380 2.080 20 0 FEADMM O=C(NCCF)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000437683038 559967912 /nfs/dbraw/zinc/96/79/12/559967912.db2.gz PWQJFWQWMNDPND-UHFFFAOYSA-N -1 1 358.341 2.465 20 0 FEADMM COCCCOC1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000439326041 559992119 /nfs/dbraw/zinc/99/21/19/559992119.db2.gz UTTQYRRCXZBPEX-UHFFFAOYSA-N -1 1 359.426 2.302 20 0 FEADMM COCCCOC1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000439326041 559992120 /nfs/dbraw/zinc/99/21/20/559992120.db2.gz UTTQYRRCXZBPEX-UHFFFAOYSA-N -1 1 359.426 2.302 20 0 FEADMM COc1cc(NC(=O)N(C)CCCSC)ccc1[N-]S(C)(=O)=O ZINC000439502703 559995936 /nfs/dbraw/zinc/99/59/36/559995936.db2.gz GZQYWHAGRPMSBA-UHFFFAOYSA-N -1 1 361.489 2.284 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cn1 ZINC000442237486 560046630 /nfs/dbraw/zinc/04/66/30/560046630.db2.gz PDCVIOKVPAFJNA-UHFFFAOYSA-N -1 1 351.762 2.262 20 0 FEADMM CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442940539 560062872 /nfs/dbraw/zinc/06/28/72/560062872.db2.gz CGUZFDRXLFMZFL-GFCCVEGCSA-N -1 1 372.874 2.438 20 0 FEADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000443159440 560073034 /nfs/dbraw/zinc/07/30/34/560073034.db2.gz SZKWRBJKYDYSGI-UHFFFAOYSA-N -1 1 369.468 2.101 20 0 FEADMM Cn1ccc2c(NS(=O)(=O)c3csc(C(=O)[O-])c3)cccc2c1=O ZINC000443530953 560086556 /nfs/dbraw/zinc/08/65/56/560086556.db2.gz OLOGDVSBDHISPG-UHFFFAOYSA-N -1 1 364.404 2.099 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)Cc2ccccc2C)(C(=O)OC)C1(C)C ZINC000444275154 560107873 /nfs/dbraw/zinc/10/78/73/560107873.db2.gz AXUGYURNBCPHOU-YJBOKZPZSA-N -1 1 369.483 2.161 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1nn[n-]n1 ZINC000444289349 560108270 /nfs/dbraw/zinc/10/82/70/560108270.db2.gz FSIQNBZLPGCPLB-GFCCVEGCSA-N -1 1 365.393 2.012 20 0 FEADMM CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3nc4cccnc4s3)CC2)n1 ZINC000444810482 560121701 /nfs/dbraw/zinc/12/17/01/560121701.db2.gz FSBUKOVAFGKQNN-UHFFFAOYSA-N -1 1 372.454 2.366 20 0 FEADMM COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(-c2ccc(C)o2)n[nH]1 ZINC000446947307 560153962 /nfs/dbraw/zinc/15/39/62/560153962.db2.gz FJDHSROJKNEPBO-UHFFFAOYSA-N -1 1 368.396 2.022 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000447660220 560166284 /nfs/dbraw/zinc/16/62/84/560166284.db2.gz JNOOYJCILLESCT-UHFFFAOYSA-N -1 1 373.434 2.219 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H](C)SC)c2)n1 ZINC000447683317 560166907 /nfs/dbraw/zinc/16/69/07/560166907.db2.gz OZKVFJFQIXBQJM-LLVKDONJSA-N -1 1 362.455 2.406 20 0 FEADMM CC[S@](=O)CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000449823018 560241396 /nfs/dbraw/zinc/24/13/96/560241396.db2.gz YOBWWWHFNTYMKY-LJQANCHMSA-N -1 1 362.274 2.608 20 0 FEADMM CCOC(=O)c1csc(=N[C@H](C)CN2CCN(c3ccccc3)CC2)[n-]1 ZINC000450350289 560259326 /nfs/dbraw/zinc/25/93/26/560259326.db2.gz QTWGAQYSDJKANA-OAHLLOKOSA-N -1 1 374.510 2.942 20 0 FEADMM Cc1cnc(CCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)o1 ZINC000450593613 560267338 /nfs/dbraw/zinc/26/73/38/560267338.db2.gz BLJKZMJFYYFNDG-UHFFFAOYSA-N -1 1 355.391 2.455 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)sc1C ZINC000450876531 560276392 /nfs/dbraw/zinc/27/63/92/560276392.db2.gz WWIIOBOFRFAFHE-DYEKYZERSA-N -1 1 364.471 3.044 20 0 FEADMM C[C@H](c1ncc(Br)cn1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450919744 560278486 /nfs/dbraw/zinc/27/84/86/560278486.db2.gz PYTOIZILZPCPGX-MRVPVSSYSA-N -1 1 354.208 2.268 20 0 FEADMM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000450966996 560280448 /nfs/dbraw/zinc/28/04/48/560280448.db2.gz KKUJDXWXZMFANL-UHFFFAOYSA-N -1 1 366.480 2.398 20 0 FEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000451112530 560287893 /nfs/dbraw/zinc/28/78/93/560287893.db2.gz GXVHGMIMHINWJH-UHFFFAOYSA-N -1 1 358.370 2.370 20 0 FEADMM O=S(=O)([N-]C1(CF)CCOCC1)c1cc(F)ccc1Br ZINC000451740765 560325807 /nfs/dbraw/zinc/32/58/07/560325807.db2.gz ZLGWJTFTNFIJMM-UHFFFAOYSA-N -1 1 370.215 2.385 20 0 FEADMM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000451787249 560328404 /nfs/dbraw/zinc/32/84/04/560328404.db2.gz IPHDVNLSTZBFNM-WPRPVWTQSA-N -1 1 372.245 2.462 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2cc(F)cc(OC)c2)o1 ZINC000452095792 560350913 /nfs/dbraw/zinc/35/09/13/560350913.db2.gz ZKQUBXSRCHRBPN-SNVBAGLBSA-N -1 1 371.386 2.123 20 0 FEADMM COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000452929550 560378230 /nfs/dbraw/zinc/37/82/30/560378230.db2.gz NNGUFSWDXAOJKR-CYBMUJFWSA-N -1 1 369.487 2.191 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)C(C)(F)F)cc1[N-]S(C)(=O)=O ZINC000454896559 560462667 /nfs/dbraw/zinc/46/26/67/560462667.db2.gz PARAHAFCDJZGGQ-MRVPVSSYSA-N -1 1 351.375 2.232 20 0 FEADMM CCN(C)C(=O)[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(C)C ZINC000456056518 560505617 /nfs/dbraw/zinc/50/56/17/560505617.db2.gz IMKGTORKMCWBAV-ZDUSSCGKSA-N -1 1 357.248 2.387 20 0 FEADMM CC[C@H]1CN(CC)CCN1C(=O)c1cnc2cc(F)c(OC)cc2c1O ZINC000456377487 560518021 /nfs/dbraw/zinc/51/80/21/560518021.db2.gz LNLUVIFNMHEUHE-LBPRGKRZSA-N -1 1 361.417 2.232 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000456788129 560532979 /nfs/dbraw/zinc/53/29/79/560532979.db2.gz QVYVRGNBYXHGKF-VXGBXAGGSA-N -1 1 366.364 2.050 20 0 FEADMM C[C@H]1C[C@H](O)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000456988629 560542686 /nfs/dbraw/zinc/54/26/86/560542686.db2.gz DLSODYRORCJQOJ-YOEHRIQHSA-N -1 1 374.462 2.330 20 0 FEADMM COC(=O)c1ccc(N2CCN(C(=O)c3ccc([O-])cc3F)CC2)s1 ZINC000457151309 560553508 /nfs/dbraw/zinc/55/35/08/560553508.db2.gz SPERHYDOPGDICP-UHFFFAOYSA-N -1 1 364.398 2.342 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(CN(C)C)cs1 ZINC000457300870 560561119 /nfs/dbraw/zinc/56/11/19/560561119.db2.gz XXHNGMWIVZSUCR-UHFFFAOYSA-N -1 1 368.484 2.219 20 0 FEADMM CO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000458238302 560610515 /nfs/dbraw/zinc/61/05/15/560610515.db2.gz RTGHCOFFRDZJAA-OLZOCXBDSA-N -1 1 351.472 2.219 20 0 FEADMM COc1cc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000460122949 560735713 /nfs/dbraw/zinc/73/57/13/560735713.db2.gz HELRBBMIKQRLSH-GFCCVEGCSA-N -1 1 369.776 2.363 20 0 FEADMM COc1cc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc(Cl)c1[O-] ZINC000460182836 560737154 /nfs/dbraw/zinc/73/71/54/560737154.db2.gz HHGKRMRJLNPJHK-GFCCVEGCSA-N -1 1 370.858 2.096 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000460821355 560752595 /nfs/dbraw/zinc/75/25/95/560752595.db2.gz AJZHLGJMJJASCB-UHFFFAOYSA-N -1 1 371.422 2.255 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)Cc3ccc(Cl)c(F)c3)ccnc1-2 ZINC000461119389 560761942 /nfs/dbraw/zinc/76/19/42/560761942.db2.gz XFHYPTGUEVVJCF-UHFFFAOYSA-N -1 1 354.794 2.076 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)ccc12 ZINC000461338770 560767100 /nfs/dbraw/zinc/76/71/00/560767100.db2.gz MQQXLXUKOAOGGR-UHFFFAOYSA-N -1 1 358.423 2.090 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cc(F)ccc2F)c1 ZINC000461434172 560771211 /nfs/dbraw/zinc/77/12/11/560771211.db2.gz FGRKJJUOYZXGCW-UHFFFAOYSA-N -1 1 370.377 2.150 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(C)c3)CC2)c1 ZINC000461436883 560771548 /nfs/dbraw/zinc/77/15/48/560771548.db2.gz RARCKMNMPPPHMT-UHFFFAOYSA-N -1 1 360.435 2.279 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3[nH]ccc3s2)c1 ZINC000461458400 560772131 /nfs/dbraw/zinc/77/21/31/560772131.db2.gz XFGLYRUCSCFYGK-UHFFFAOYSA-N -1 1 351.409 2.095 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccncc2)C(C)C)c1 ZINC000461461691 560772441 /nfs/dbraw/zinc/77/24/41/560772441.db2.gz VJBSJXODEDWTBK-INIZCTEOSA-N -1 1 363.439 2.074 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccc(F)cc2)c1 ZINC000461463612 560772749 /nfs/dbraw/zinc/77/27/49/560772749.db2.gz GHCWBRITNOKTLM-UHFFFAOYSA-N -1 1 370.427 2.170 20 0 FEADMM CC(C)(NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1nn[n-]n1 ZINC000461632625 560778038 /nfs/dbraw/zinc/77/80/38/560778038.db2.gz GBEJKPURUOTIKB-MNOVXSKESA-N -1 1 350.220 2.117 20 0 FEADMM CCCOc1c(Cl)cc(C(=O)NC(C)(C)c2nn[n-]n2)cc1OC ZINC000461638627 560778316 /nfs/dbraw/zinc/77/83/16/560778316.db2.gz XCFHKEMFKBEZBO-UHFFFAOYSA-N -1 1 353.810 2.316 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC2(CCOCC2)C1)c1c(F)cccc1Cl ZINC000464196823 560835515 /nfs/dbraw/zinc/83/55/15/560835515.db2.gz GGKUPNNBDCFORL-NSHDSACASA-N -1 1 363.838 2.486 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)c1nn[n-]n1 ZINC000467653319 560914425 /nfs/dbraw/zinc/91/44/25/560914425.db2.gz MFWVSORNVYAHJT-IINYFYTJSA-N -1 1 362.459 2.296 20 0 FEADMM Cc1cc(C(=O)Nc2cccc(-c3nnco3)c2)nc2nc(=O)[nH]c([O-])c12 ZINC000468487388 560931454 /nfs/dbraw/zinc/93/14/54/560931454.db2.gz LDPKNSKWGREYOJ-UHFFFAOYSA-N -1 1 364.321 2.047 20 0 FEADMM Cc1cnc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000468721488 560937051 /nfs/dbraw/zinc/93/70/51/560937051.db2.gz CLXLNPGADUIPBW-FOIQADDNSA-N -1 1 356.422 2.278 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(C)n(-c2c(F)cccc2F)n1)c1nn[n-]n1 ZINC000468944820 560942920 /nfs/dbraw/zinc/94/29/20/560942920.db2.gz KKZTVOKBLPRQFH-GFCCVEGCSA-N -1 1 361.356 2.243 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000468990097 560944201 /nfs/dbraw/zinc/94/42/01/560944201.db2.gz NBOPGGMUWLGSCC-FZMZJTMJSA-N -1 1 361.467 2.497 20 0 FEADMM CCCCc1ccc(CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000469035747 560945404 /nfs/dbraw/zinc/94/54/04/560945404.db2.gz NMZWMPYTEZLDGS-UHFFFAOYSA-N -1 1 359.499 2.354 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000470236600 560977248 /nfs/dbraw/zinc/97/72/48/560977248.db2.gz HLQIVDRQTFVOCN-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 ZINC000470450343 560982431 /nfs/dbraw/zinc/98/24/31/560982431.db2.gz YDIZGSXPZAOPGU-ZDUSSCGKSA-N -1 1 363.391 2.353 20 0 FEADMM COc1cc(C(=O)NC2(c3nn[n-]n3)CC2)cc(Cl)c1OCC(C)C ZINC000470986800 560995932 /nfs/dbraw/zinc/99/59/32/560995932.db2.gz RENCMKPKBMWPQT-UHFFFAOYSA-N -1 1 365.821 2.316 20 0 FEADMM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000471132820 560999069 /nfs/dbraw/zinc/99/90/69/560999069.db2.gz KHORPCNIMBMETN-UHFFFAOYSA-N -1 1 373.333 2.238 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1 ZINC000472431131 561026224 /nfs/dbraw/zinc/02/62/24/561026224.db2.gz LEBLGOXBOFLUFK-UHFFFAOYSA-N -1 1 371.484 2.203 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cccc(C)c1C ZINC000472736623 561034095 /nfs/dbraw/zinc/03/40/95/561034095.db2.gz ICQCCTOGPYYRJN-NVXWUHKLSA-N -1 1 369.483 2.396 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000473290446 561046666 /nfs/dbraw/zinc/04/66/66/561046666.db2.gz GGZUXQOVINJSMS-SSDOTTSWSA-N -1 1 357.288 2.406 20 0 FEADMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473850845 561059131 /nfs/dbraw/zinc/05/91/31/561059131.db2.gz DCKNGBZKACOJQG-ZETCQYMHSA-N -1 1 353.206 2.091 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1NC(N)=O ZINC000474292902 561070483 /nfs/dbraw/zinc/07/04/83/561070483.db2.gz KPHNMWJAIJFWJT-UHFFFAOYSA-N -1 1 363.395 2.017 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC000474299512 561070655 /nfs/dbraw/zinc/07/06/55/561070655.db2.gz ZKDUQSMLSPJNMP-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000474347673 561071864 /nfs/dbraw/zinc/07/18/64/561071864.db2.gz DOWJJAQOXHBGKY-UHFFFAOYSA-N -1 1 369.450 2.387 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000474350385 561071897 /nfs/dbraw/zinc/07/18/97/561071897.db2.gz JYJQUSKRUSJOGZ-UHFFFAOYSA-N -1 1 369.450 2.371 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C ZINC000475821407 561106251 /nfs/dbraw/zinc/10/62/51/561106251.db2.gz NALZOERWXDQGFA-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1NC(C)=O ZINC000476455575 561120045 /nfs/dbraw/zinc/12/00/45/561120045.db2.gz CIUCKHWSCHDXBF-UHFFFAOYSA-N -1 1 364.379 2.183 20 0 FEADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000476598941 561123865 /nfs/dbraw/zinc/12/38/65/561123865.db2.gz PDORJEFUGBPWAS-UHFFFAOYSA-N -1 1 362.407 2.356 20 0 FEADMM CC(C)c1cccc2c1CCN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC000476817710 561129104 /nfs/dbraw/zinc/12/91/04/561129104.db2.gz IDFVOGCTURDSRS-UHFFFAOYSA-N -1 1 353.422 2.225 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000477022169 561134412 /nfs/dbraw/zinc/13/44/12/561134412.db2.gz CXHSTUMVOBFOTK-KRWDZBQOSA-N -1 1 360.421 2.109 20 0 FEADMM CCOc1ccc(-c2nc(C(=O)NC3(c4nn[n-]n4)CC3)cs2)cc1 ZINC000477032447 561134729 /nfs/dbraw/zinc/13/47/29/561134729.db2.gz BVHCOLMHZVRYOJ-UHFFFAOYSA-N -1 1 356.411 2.141 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@H]2CC[C@H](C)O2)no1 ZINC000528253248 562319768 /nfs/dbraw/zinc/31/97/68/562319768.db2.gz QLBGDBPWMKBXFM-IINYFYTJSA-N -1 1 353.382 2.354 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C)c1ccc(C)o1 ZINC000528338338 562323481 /nfs/dbraw/zinc/32/34/81/562323481.db2.gz LSAGXWRJMAWVHT-VIFPVBQESA-N -1 1 367.349 2.006 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000528524615 562333832 /nfs/dbraw/zinc/33/38/32/562333832.db2.gz BGSHDUXZDCOFQL-DYVFJYSZSA-N -1 1 363.483 2.480 20 0 FEADMM CO[C@@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(F)cc1 ZINC000528567881 562336758 /nfs/dbraw/zinc/33/67/58/562336758.db2.gz IUTDJJGJAKPBFL-QGZVFWFLSA-N -1 1 358.373 2.195 20 0 FEADMM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000528954733 562354219 /nfs/dbraw/zinc/35/42/19/562354219.db2.gz WSHSLOZYSVELQL-RWJJJZRFSA-N -1 1 350.440 2.064 20 0 FEADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000529040887 562357558 /nfs/dbraw/zinc/35/75/58/562357558.db2.gz GQFSFUQJTKPIDQ-IIQJOMCQSA-N -1 1 367.812 2.257 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000529988787 562393644 /nfs/dbraw/zinc/39/36/44/562393644.db2.gz VSMFPDXCHWJYKJ-IUWMUCMRSA-N -1 1 370.453 2.413 20 0 FEADMM CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000530007609 562394303 /nfs/dbraw/zinc/39/43/03/562394303.db2.gz YHIVDEQIVLELLW-UHFFFAOYSA-N -1 1 358.435 2.312 20 0 FEADMM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@H](O)COc1ccccc1Cl ZINC000530167395 562400971 /nfs/dbraw/zinc/40/09/71/562400971.db2.gz APENQECZAWEHDH-ZBEGNZNMSA-N -1 1 351.786 2.357 20 0 FEADMM CCOc1ccc(OC[C@@H](O)CN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000530167879 562400986 /nfs/dbraw/zinc/40/09/86/562400986.db2.gz HCALLGMSCQBXLB-SCLBCKFNSA-N -1 1 361.394 2.102 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)Cc1ccncc1 ZINC000530911706 562428466 /nfs/dbraw/zinc/42/84/66/562428466.db2.gz XXCXZQSVPFFKLX-ZDUSSCGKSA-N -1 1 363.421 2.238 20 0 FEADMM COc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000531581682 562450690 /nfs/dbraw/zinc/45/06/90/562450690.db2.gz AUMVNLJLYVSOAO-UHFFFAOYSA-N -1 1 368.411 2.323 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2ncc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000531884043 562459941 /nfs/dbraw/zinc/45/99/41/562459941.db2.gz UKMOJUKKRPHXNR-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2ncc(-c3ccc(Cl)cc3)o2)n[n-]1 ZINC000531884043 562459942 /nfs/dbraw/zinc/45/99/42/562459942.db2.gz UKMOJUKKRPHXNR-UHFFFAOYSA-N -1 1 368.802 2.233 20 0 FEADMM O=C(CSc1nccc2ccccc21)NC1(c2nn[n-]n2)CCCC1 ZINC000531965211 562462698 /nfs/dbraw/zinc/46/26/98/562462698.db2.gz XLRSVDPKEOOAMG-UHFFFAOYSA-N -1 1 354.439 2.426 20 0 FEADMM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3ccc(F)cc3[O-])c(C)c12 ZINC000532620985 562483399 /nfs/dbraw/zinc/48/33/99/562483399.db2.gz WABBUGILLSKOBW-UHFFFAOYSA-N -1 1 358.373 2.294 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(OCCO)cc2)c(=O)[n-]1 ZINC000532647124 562484247 /nfs/dbraw/zinc/48/42/47/562484247.db2.gz NZZMPQXVDPHOPP-UHFFFAOYSA-N -1 1 363.439 2.155 20 0 FEADMM COc1cccc(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)c1OC ZINC000532932326 562492903 /nfs/dbraw/zinc/49/29/03/562492903.db2.gz SAEUFRKDWRFTQX-UHFFFAOYSA-N -1 1 356.469 2.298 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000533179671 562500519 /nfs/dbraw/zinc/50/05/19/562500519.db2.gz ABZFULXSMAKFKO-DFBGVHRSSA-N -1 1 369.439 2.082 20 0 FEADMM COc1ccc(NC(=O)CSCC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000534871492 562544358 /nfs/dbraw/zinc/54/43/58/562544358.db2.gz YKIYWQMPIRJXSY-UHFFFAOYSA-N -1 1 372.390 2.301 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1C(N)=O ZINC000534941787 562545745 /nfs/dbraw/zinc/54/57/45/562545745.db2.gz GAWHLOTYNWHZHL-UHFFFAOYSA-N -1 1 357.391 2.143 20 0 FEADMM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1NS(C)(=O)=O ZINC000536906520 562582461 /nfs/dbraw/zinc/58/24/61/562582461.db2.gz VAEOFIPYVIFEAO-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM Cc1nc(SCC(=O)NCc2cnn(-c3ccccc3)c2)[n-]c(=O)c1C ZINC000540716833 562591873 /nfs/dbraw/zinc/59/18/73/562591873.db2.gz NUPIOMRUXXTQDZ-UHFFFAOYSA-N -1 1 369.450 2.393 20 0 FEADMM CCN(CC)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000541312396 562608744 /nfs/dbraw/zinc/60/87/44/562608744.db2.gz KKBLRSLUSSAKRK-LBPRGKRZSA-N -1 1 369.270 2.384 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C[S@](C)=O ZINC000545830178 562630869 /nfs/dbraw/zinc/63/08/69/562630869.db2.gz UKYKNTHMFIXSDE-QFIPXVFZSA-N -1 1 373.477 2.434 20 0 FEADMM CC(C)(C)C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(F)cc1 ZINC000546091202 562633444 /nfs/dbraw/zinc/63/34/44/562633444.db2.gz PMIODTPVRZTBSD-CQSZACIVSA-N -1 1 357.389 2.464 20 0 FEADMM O=C(Nc1ccc(Cl)c(Br)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000546148480 562634312 /nfs/dbraw/zinc/63/43/12/562634312.db2.gz RUSXBXPNWFMBNS-UHFFFAOYSA-N -1 1 368.578 2.086 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccnc(OC(C)C)c3)no2)o1 ZINC000546381752 562636662 /nfs/dbraw/zinc/63/66/62/562636662.db2.gz FYWUHTDOVDEPSO-UHFFFAOYSA-N -1 1 364.383 2.087 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CN1c1ccccc1 ZINC000546539427 562637658 /nfs/dbraw/zinc/63/76/58/562637658.db2.gz XLUFWDBWOINMKI-OAHLLOKOSA-N -1 1 350.827 2.175 20 0 FEADMM O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550100786 562642418 /nfs/dbraw/zinc/64/24/18/562642418.db2.gz GZFRTODLTMVXTI-UHFFFAOYSA-N -1 1 356.338 2.156 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cc(F)cc(Cl)c1 ZINC000550220382 562644632 /nfs/dbraw/zinc/64/46/32/562644632.db2.gz JNXXQSVFNGOOOS-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM O=S(=O)([N-][C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1sccc1Cl ZINC000556325809 674397299 /nfs/dbraw/zinc/39/72/99/674397299.db2.gz GEECZMLJWQSMND-NEPJUHHUSA-N -1 1 365.904 2.390 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cc3ccccc3n(C)c2=O)sc1C ZINC000565340567 568028773 /nfs/dbraw/zinc/02/87/73/568028773.db2.gz NOZFPODUJOFXTQ-UHFFFAOYSA-N -1 1 363.464 2.090 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](Sc2ccccc2)C(C)C)n[n-]1 ZINC000603014462 568047083 /nfs/dbraw/zinc/04/70/83/568047083.db2.gz FJGXLELUJUTYQX-AWEZNQCLSA-N -1 1 362.455 2.415 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](Sc2ccccc2)C(C)C)n1 ZINC000603014462 568047084 /nfs/dbraw/zinc/04/70/84/568047084.db2.gz FJGXLELUJUTYQX-AWEZNQCLSA-N -1 1 362.455 2.415 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCCc2ccc(SC)cc2)n[n-]1 ZINC000603021181 568052433 /nfs/dbraw/zinc/05/24/33/568052433.db2.gz IQJRWMPLNIJUPD-UHFFFAOYSA-N -1 1 362.455 2.342 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCCc2ccc(SC)cc2)n1 ZINC000603021181 568052434 /nfs/dbraw/zinc/05/24/34/568052434.db2.gz IQJRWMPLNIJUPD-UHFFFAOYSA-N -1 1 362.455 2.342 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCc2ccc(F)cc2F)n[n-]1 ZINC000603155625 568068564 /nfs/dbraw/zinc/06/85/64/568068564.db2.gz PEIMMNIAYZTBBR-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCc2ccc(F)cc2F)[n-]1 ZINC000603155625 568068565 /nfs/dbraw/zinc/06/85/65/568068565.db2.gz PEIMMNIAYZTBBR-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCc2ccc(F)cc2F)n1 ZINC000603155625 568068566 /nfs/dbraw/zinc/06/85/66/568068566.db2.gz PEIMMNIAYZTBBR-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)n[n-]1 ZINC000603167069 568070399 /nfs/dbraw/zinc/07/03/99/568070399.db2.gz SYRJYLJTNDSYEA-GFCCVEGCSA-N -1 1 356.426 2.280 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)[n-]1 ZINC000603167069 568070400 /nfs/dbraw/zinc/07/04/00/568070400.db2.gz SYRJYLJTNDSYEA-GFCCVEGCSA-N -1 1 356.426 2.280 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)n1 ZINC000603167069 568070401 /nfs/dbraw/zinc/07/04/01/568070401.db2.gz SYRJYLJTNDSYEA-GFCCVEGCSA-N -1 1 356.426 2.280 20 0 FEADMM Cc1cc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n[nH]1 ZINC000603487122 568106430 /nfs/dbraw/zinc/10/64/30/568106430.db2.gz UTNFYCCMEYMQRJ-UHFFFAOYSA-N -1 1 361.199 2.252 20 0 FEADMM COCC(C)(C)CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000665826647 568262890 /nfs/dbraw/zinc/26/28/90/568262890.db2.gz PCMCEHIQYHSWNI-CYBMUJFWSA-N -1 1 355.801 2.261 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cnns1 ZINC000738111781 598837039 /nfs/dbraw/zinc/83/70/39/598837039.db2.gz KTFJSWMWVQYQPG-UHFFFAOYSA-N -1 1 369.435 2.377 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000737188028 598891984 /nfs/dbraw/zinc/89/19/84/598891984.db2.gz WFYZDVCJEXQLFV-MYJAWHEDSA-N -1 1 362.459 2.244 20 0 FEADMM COC(=O)CCCCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736910548 598958618 /nfs/dbraw/zinc/95/86/18/598958618.db2.gz FTMMFQATBXAKPA-UHFFFAOYSA-N -1 1 355.402 2.345 20 0 FEADMM COC(=O)CCCCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736910548 598958619 /nfs/dbraw/zinc/95/86/19/598958619.db2.gz FTMMFQATBXAKPA-UHFFFAOYSA-N -1 1 355.402 2.345 20 0 FEADMM Cc1nccc([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737497420 598962366 /nfs/dbraw/zinc/96/23/66/598962366.db2.gz CTNHGBXXZHPYDC-ZDUSSCGKSA-N -1 1 373.424 2.292 20 0 FEADMM Cc1nccc([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737497420 598962367 /nfs/dbraw/zinc/96/23/67/598962367.db2.gz CTNHGBXXZHPYDC-ZDUSSCGKSA-N -1 1 373.424 2.292 20 0 FEADMM O=C(Oc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738251419 598982395 /nfs/dbraw/zinc/98/23/95/598982395.db2.gz NXXQQPAZKMYTLD-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Oc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738251419 598982397 /nfs/dbraw/zinc/98/23/97/598982397.db2.gz NXXQQPAZKMYTLD-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738208566 598982766 /nfs/dbraw/zinc/98/27/66/598982766.db2.gz FNDLGMMYGVBEJJ-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738208566 598982768 /nfs/dbraw/zinc/98/27/68/598982768.db2.gz FNDLGMMYGVBEJJ-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000738259703 598988251 /nfs/dbraw/zinc/98/82/51/598988251.db2.gz UROQUUCKDVFESK-SFHVURJKSA-N -1 1 371.404 2.309 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000738259703 598988252 /nfs/dbraw/zinc/98/82/52/598988252.db2.gz UROQUUCKDVFESK-SFHVURJKSA-N -1 1 371.404 2.309 20 0 FEADMM COCCN(Cc1ccc(C)cc1C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737003572 598990048 /nfs/dbraw/zinc/99/00/48/598990048.db2.gz YGXBWBZIFXAIQJ-UHFFFAOYSA-N -1 1 366.425 2.167 20 0 FEADMM COCCN(Cc1ccc(C)cc1C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737003572 598990049 /nfs/dbraw/zinc/99/00/49/598990049.db2.gz YGXBWBZIFXAIQJ-UHFFFAOYSA-N -1 1 366.425 2.167 20 0 FEADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736308680 598992003 /nfs/dbraw/zinc/99/20/03/598992003.db2.gz GEFSMRMHYGJGAO-UHFFFAOYSA-N -1 1 351.370 2.171 20 0 FEADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736308680 598992005 /nfs/dbraw/zinc/99/20/05/598992005.db2.gz GEFSMRMHYGJGAO-UHFFFAOYSA-N -1 1 351.370 2.171 20 0 FEADMM NC(=O)[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735992 599096512 /nfs/dbraw/zinc/09/65/12/599096512.db2.gz GBYSODJHVKFDMR-SFHVURJKSA-N -1 1 358.405 2.336 20 0 FEADMM O=C(OCc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245852 599133988 /nfs/dbraw/zinc/13/39/88/599133988.db2.gz YQFYVNZRTGCDEX-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM O=C(OCc1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245852 599133989 /nfs/dbraw/zinc/13/39/89/599133989.db2.gz YQFYVNZRTGCDEX-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735489015 599151334 /nfs/dbraw/zinc/15/13/34/599151334.db2.gz SFTGXGMQOLHKCN-SNVBAGLBSA-N -1 1 352.354 2.138 20 0 FEADMM CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735489015 599151335 /nfs/dbraw/zinc/15/13/35/599151335.db2.gz SFTGXGMQOLHKCN-SNVBAGLBSA-N -1 1 352.354 2.138 20 0 FEADMM O=[S@](CCNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000738357279 599205179 /nfs/dbraw/zinc/20/51/79/599205179.db2.gz OFSLRXDHEKTHDW-HSZRJFAPSA-N -1 1 368.875 2.337 20 0 FEADMM O=[S@](CCNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000738357279 599205181 /nfs/dbraw/zinc/20/51/81/599205181.db2.gz OFSLRXDHEKTHDW-HSZRJFAPSA-N -1 1 368.875 2.337 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818835380 597049697 /nfs/dbraw/zinc/04/96/97/597049697.db2.gz HPJUHKNOVNFWLB-INIZCTEOSA-N -1 1 374.485 2.465 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1F ZINC000818385319 597062299 /nfs/dbraw/zinc/06/22/99/597062299.db2.gz BDSXYRLGGKQCMY-AWEZNQCLSA-N -1 1 351.422 2.284 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676233076 597071889 /nfs/dbraw/zinc/07/18/89/597071889.db2.gz NCTRHSNADRFZGF-ZIAGYGMSSA-N -1 1 364.442 2.068 20 0 FEADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707399 674424903 /nfs/dbraw/zinc/42/49/03/674424903.db2.gz CXYWGPDZJJIBLG-WJTVCTBASA-N -1 1 350.381 2.106 20 0 FEADMM CCCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736470582 598267182 /nfs/dbraw/zinc/26/71/82/598267182.db2.gz LSTYGCPMTTVADK-UHFFFAOYSA-N -1 1 364.475 2.243 20 0 FEADMM CCCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736470582 598267184 /nfs/dbraw/zinc/26/71/84/598267184.db2.gz LSTYGCPMTTVADK-UHFFFAOYSA-N -1 1 364.475 2.243 20 0 FEADMM C[C@H]1Cc2ccccc2N1C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736296901 598345722 /nfs/dbraw/zinc/34/57/22/598345722.db2.gz KMFFEPFCCJGYOY-ZDUSSCGKSA-N -1 1 362.441 2.077 20 0 FEADMM C[C@H]1Cc2ccccc2N1C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736296901 598345723 /nfs/dbraw/zinc/34/57/23/598345723.db2.gz KMFFEPFCCJGYOY-ZDUSSCGKSA-N -1 1 362.441 2.077 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000736291573 598350471 /nfs/dbraw/zinc/35/04/71/598350471.db2.gz FWSFDTBOFZFKGK-VXGBXAGGSA-N -1 1 352.402 2.014 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000736291573 598350472 /nfs/dbraw/zinc/35/04/72/598350472.db2.gz FWSFDTBOFZFKGK-VXGBXAGGSA-N -1 1 352.402 2.014 20 0 FEADMM C[C@H](CO)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000820287528 607349255 /nfs/dbraw/zinc/34/92/55/607349255.db2.gz NEBQTANJBADNIB-SNVBAGLBSA-N -1 1 373.800 2.423 20 0 FEADMM CC(C)(C)c1ccc2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)[nH]c2c1 ZINC000735652644 598403841 /nfs/dbraw/zinc/40/38/41/598403841.db2.gz PEVPWSABNYZMHT-UHFFFAOYSA-N -1 1 350.386 2.113 20 0 FEADMM O=C([N-]c1cnoc1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738196756 598541004 /nfs/dbraw/zinc/54/10/04/598541004.db2.gz GHLLBKNRAHVNNM-UHFFFAOYSA-N -1 1 352.310 2.279 20 0 FEADMM Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737436249 598595965 /nfs/dbraw/zinc/59/59/65/598595965.db2.gz PHMSGBYHMVOXMK-UHFFFAOYSA-N -1 1 358.427 2.174 20 0 FEADMM Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737436249 598595967 /nfs/dbraw/zinc/59/59/67/598595967.db2.gz PHMSGBYHMVOXMK-UHFFFAOYSA-N -1 1 358.427 2.174 20 0 FEADMM Clc1nsc(N2CCO[C@H](c3nccs3)C2)c1-c1nnn[n-]1 ZINC000737582533 598669900 /nfs/dbraw/zinc/66/99/00/598669900.db2.gz CAAGUTOIVUVUFU-LURJTMIESA-N -1 1 355.836 2.011 20 0 FEADMM Clc1nsc(N2CCO[C@H](c3nccs3)C2)c1-c1nn[n-]n1 ZINC000737582533 598669902 /nfs/dbraw/zinc/66/99/02/598669902.db2.gz CAAGUTOIVUVUFU-LURJTMIESA-N -1 1 355.836 2.011 20 0 FEADMM C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736251454 598689495 /nfs/dbraw/zinc/68/94/95/598689495.db2.gz OJJFFLHDBYPPGI-QWRGUYRKSA-N -1 1 353.423 2.205 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737320719 598691842 /nfs/dbraw/zinc/69/18/42/598691842.db2.gz OELXRCMYSIMVRK-VIFPVBQESA-N -1 1 367.431 2.415 20 0 FEADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1C ZINC000737356561 598719462 /nfs/dbraw/zinc/71/94/62/598719462.db2.gz HQIOKDBOSVGFBU-UHFFFAOYSA-N -1 1 374.404 2.437 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccn(-c3ccccc3)n2)c2ccccc12 ZINC000738370639 598719736 /nfs/dbraw/zinc/71/97/36/598719736.db2.gz FJXDPKYWQJCSLF-UHFFFAOYSA-N -1 1 369.388 2.416 20 0 FEADMM Cc1cc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c(C)n1C ZINC000737227976 598721241 /nfs/dbraw/zinc/72/12/41/598721241.db2.gz RGIJILVZMSAHQV-UHFFFAOYSA-N -1 1 362.393 2.020 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000822903431 599316607 /nfs/dbraw/zinc/31/66/07/599316607.db2.gz LDKZLKIKBYWQHF-VHSXEESVSA-N -1 1 364.196 2.396 20 0 FEADMM C[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1C(F)(F)F ZINC000820225080 599318584 /nfs/dbraw/zinc/31/85/84/599318584.db2.gz ADEGMWMUHXYISF-MRVPVSSYSA-N -1 1 365.319 2.498 20 0 FEADMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)NC(=S)N1c1ccccc1Cl ZINC000823503121 599380229 /nfs/dbraw/zinc/38/02/29/599380229.db2.gz BRQLJJXYAZRASG-YFHOEESVSA-N -1 1 372.797 2.375 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)NC(=S)N1c1ccccc1Cl ZINC000823503121 599380232 /nfs/dbraw/zinc/38/02/32/599380232.db2.gz BRQLJJXYAZRASG-YFHOEESVSA-N -1 1 372.797 2.375 20 0 FEADMM Cc1cnc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c([O-])c1 ZINC000557650086 674459441 /nfs/dbraw/zinc/45/94/41/674459441.db2.gz HDQWOEIPGJXEAK-UHFFFAOYSA-N -1 1 362.817 2.112 20 0 FEADMM COc1ccccc1N1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000737153979 599422839 /nfs/dbraw/zinc/42/28/39/599422839.db2.gz XHZKQUGCMZIHNR-ZDUSSCGKSA-N -1 1 351.414 2.209 20 0 FEADMM COc1ccccc1N1CC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000737153979 599422840 /nfs/dbraw/zinc/42/28/40/599422840.db2.gz XHZKQUGCMZIHNR-ZDUSSCGKSA-N -1 1 351.414 2.209 20 0 FEADMM CCOc1cc(CCCNc2nccnc2-c2nnn[n-]2)ccc1OC ZINC000736625736 599442352 /nfs/dbraw/zinc/44/23/52/599442352.db2.gz OLJLWEUZGOXRMU-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM CCOc1cc(CCCNc2nccnc2-c2nn[n-]n2)ccc1OC ZINC000736625736 599442354 /nfs/dbraw/zinc/44/23/54/599442354.db2.gz OLJLWEUZGOXRMU-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738258712 599469914 /nfs/dbraw/zinc/46/99/14/599469914.db2.gz LUBBFIFVXHYYRL-ZDUSSCGKSA-N -1 1 352.373 2.106 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738258712 599469917 /nfs/dbraw/zinc/46/99/17/599469917.db2.gz LUBBFIFVXHYYRL-ZDUSSCGKSA-N -1 1 352.373 2.106 20 0 FEADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820870575 599489264 /nfs/dbraw/zinc/48/92/64/599489264.db2.gz VKYQKVQQZWREKT-BDAKNGLRSA-N -1 1 350.448 2.244 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)C(C)(C)NC(=O)[O-])N1CCCCC1 ZINC000738122327 599737171 /nfs/dbraw/zinc/73/71/71/599737171.db2.gz YZTNSMDPRBCPLQ-OAHLLOKOSA-N -1 1 363.458 2.385 20 0 FEADMM CN1CCN(C[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC000580892495 599746319 /nfs/dbraw/zinc/74/63/19/599746319.db2.gz KNCCNAWJRIRSTJ-LJQANCHMSA-N -1 1 367.449 2.103 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)CCCNC(=O)[O-])N1CCCCC1 ZINC000738118917 599748860 /nfs/dbraw/zinc/74/88/60/599748860.db2.gz DVXUMUQSGJZVRE-MRXNPFEDSA-N -1 1 363.458 2.386 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1C ZINC000737699832 599926296 /nfs/dbraw/zinc/92/62/96/599926296.db2.gz LVDFHJHVJCIQEZ-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1F ZINC000739181178 599927290 /nfs/dbraw/zinc/92/72/90/599927290.db2.gz VMXQMZHNXHBQSO-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM C[C@@H](CN(CC(=O)Nc1ccnn1Cc1cccs1)C1CC1)C(=O)[O-] ZINC000736578613 599950409 /nfs/dbraw/zinc/95/04/09/599950409.db2.gz NYDSOGQFFAXBTQ-LBPRGKRZSA-N -1 1 362.455 2.117 20 0 FEADMM Cc1cnn([C@H]2CCCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738807735 599976754 /nfs/dbraw/zinc/97/67/54/599976754.db2.gz BVAVBTCGFGUHKI-QAPCUYQASA-N -1 1 370.453 2.232 20 0 FEADMM Cc1cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccccc2)ccc1C(=O)[O-] ZINC000738407838 600042362 /nfs/dbraw/zinc/04/23/62/600042362.db2.gz QBHQYNOHDUZLLW-KRWDZBQOSA-N -1 1 369.421 2.051 20 0 FEADMM COc1cc(C)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c(C)c1 ZINC000320268836 600053291 /nfs/dbraw/zinc/05/32/91/600053291.db2.gz DOMVDACXRXKTLQ-UHFFFAOYSA-N -1 1 356.425 2.196 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000649463004 600073583 /nfs/dbraw/zinc/07/35/83/600073583.db2.gz MWQNGWMGPPLLEU-HZPDHXFCSA-N -1 1 359.426 2.160 20 0 FEADMM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737123425 600095522 /nfs/dbraw/zinc/09/55/22/600095522.db2.gz ANBAVBXUBIKDOD-UHFFFAOYSA-N -1 1 366.370 2.074 20 0 FEADMM COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000737996855 600100920 /nfs/dbraw/zinc/10/09/20/600100920.db2.gz KSKQSEICAWZNEM-QGZVFWFLSA-N -1 1 356.422 2.183 20 0 FEADMM C[C@H]1CCc2c(sc(NC(=O)CN(CCO)CC3CC3)c2C(=O)[O-])C1 ZINC000736800594 600147096 /nfs/dbraw/zinc/14/70/96/600147096.db2.gz FUBFANXESCQRRG-NSHDSACASA-N -1 1 366.483 2.214 20 0 FEADMM C[C@H](c1ccccc1Br)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000736726177 600293232 /nfs/dbraw/zinc/29/32/32/600293232.db2.gz YXQGLXRSHMPDCC-LLVKDONJSA-N -1 1 357.248 2.375 20 0 FEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736825237 600298105 /nfs/dbraw/zinc/29/81/05/600298105.db2.gz MEBDINIPIREGKS-LSDHHAIUSA-N -1 1 355.438 2.425 20 0 FEADMM CN(CCCOc1ccccc1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737441400 600309645 /nfs/dbraw/zinc/30/96/45/600309645.db2.gz USHUFRVFISDKEP-KRWDZBQOSA-N -1 1 360.454 2.101 20 0 FEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1C ZINC000738625728 600309928 /nfs/dbraw/zinc/30/99/28/600309928.db2.gz WYVSXQXBFIIQCL-OAHLLOKOSA-N -1 1 359.426 2.138 20 0 FEADMM CC(C)C[C@@H](NC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC000736413780 600312567 /nfs/dbraw/zinc/31/25/67/600312567.db2.gz UYGNHWQMZCCLPK-QGZVFWFLSA-N -1 1 372.469 2.358 20 0 FEADMM CCC[C@](C)(NCC(=O)N1CCC(OCc2ccccc2)CC1)C(=O)[O-] ZINC000736960262 600321766 /nfs/dbraw/zinc/32/17/66/600321766.db2.gz OCAGZZJMYISBFQ-FQEVSTJZSA-N -1 1 362.470 2.427 20 0 FEADMM COC(=O)CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C(C)C ZINC000737598759 600394938 /nfs/dbraw/zinc/39/49/38/600394938.db2.gz KKYQQXHQSOWXQO-UHFFFAOYSA-N -1 1 356.444 2.275 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)N1CCCCCC1 ZINC000736216479 600404437 /nfs/dbraw/zinc/40/44/37/600404437.db2.gz QQZUBUUFIPZPAJ-AWEZNQCLSA-N -1 1 361.442 2.094 20 0 FEADMM O=C([O-])[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1 ZINC000739499765 600429588 /nfs/dbraw/zinc/42/95/88/600429588.db2.gz JUPDOLXCUVQKKX-SFHVURJKSA-N -1 1 372.396 2.214 20 0 FEADMM O=C([O-])C1(NC(=O)CN(CCCO)[C@@H]2CCc3ccccc32)CCCCC1 ZINC000739273994 600444248 /nfs/dbraw/zinc/44/42/48/600444248.db2.gz LWHYGDBVOCCFTD-GOSISDBHSA-N -1 1 374.481 2.262 20 0 FEADMM O=C([O-])C1(NC(=O)CN(CCCO)[C@H]2CCc3ccccc32)CCCCC1 ZINC000739273997 600444309 /nfs/dbraw/zinc/44/43/09/600444309.db2.gz LWHYGDBVOCCFTD-SFHVURJKSA-N -1 1 374.481 2.262 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)[O-])cc1 ZINC000738295981 600453041 /nfs/dbraw/zinc/45/30/41/600453041.db2.gz SPLNWPSFTZEBAI-GFCCVEGCSA-N -1 1 363.391 2.426 20 0 FEADMM COc1ccc(CN(C)C(=O)CNC2(C(=O)[O-])CCCCC2)cc1OC ZINC000737994627 600460441 /nfs/dbraw/zinc/46/04/41/600460441.db2.gz IZSQIEABSTZQBL-UHFFFAOYSA-N -1 1 364.442 2.039 20 0 FEADMM O=C([O-])CCCOc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1 ZINC000739687567 600489828 /nfs/dbraw/zinc/48/98/28/600489828.db2.gz QULZHYYFDDRWHQ-UHFFFAOYSA-N -1 1 354.359 2.265 20 0 FEADMM Cc1[nH]ncc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000738249333 600497845 /nfs/dbraw/zinc/49/78/45/600497845.db2.gz OWDUNMHKHFSZOQ-HNNXBMFYSA-N -1 1 356.382 2.050 20 0 FEADMM CCCN(C)CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000737007962 600506092 /nfs/dbraw/zinc/50/60/92/600506092.db2.gz RLNWIEGCYRGJHL-INIZCTEOSA-N -1 1 361.442 2.046 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000736719567 600515011 /nfs/dbraw/zinc/51/50/11/600515011.db2.gz XNEYNWGPIQHAGL-YOEHRIQHSA-N -1 1 366.433 2.301 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000390407297 600518112 /nfs/dbraw/zinc/51/81/12/600518112.db2.gz BYRLWSWYKUAXAN-QGZVFWFLSA-N -1 1 374.462 2.328 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000736205432 600643496 /nfs/dbraw/zinc/64/34/96/600643496.db2.gz OTBMDKFPPGDVQC-CRAIPNDOSA-N -1 1 360.454 2.242 20 0 FEADMM C[C@H]1CCN(C(=O)C2(C)CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809249494 674489002 /nfs/dbraw/zinc/48/90/02/674489002.db2.gz XDYJUMBKCABAOX-SRVKXCTJSA-N -1 1 350.381 2.107 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000740066297 600685764 /nfs/dbraw/zinc/68/57/64/600685764.db2.gz QXPFHDXTFKJULG-GXFFZTMASA-N -1 1 370.327 2.134 20 0 FEADMM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000826917526 600687360 /nfs/dbraw/zinc/68/73/60/600687360.db2.gz FIMZBTCZMKMNGF-UHFFFAOYSA-N -1 1 359.354 2.316 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000828266159 600710941 /nfs/dbraw/zinc/71/09/41/600710941.db2.gz QYPXAEMHGYHGEL-NWDGAFQWSA-N -1 1 374.890 2.437 20 0 FEADMM CCNC(=O)COc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829795419 600740851 /nfs/dbraw/zinc/74/08/51/600740851.db2.gz UCEFCPCFUCPCAJ-GOSISDBHSA-N -1 1 360.385 2.256 20 0 FEADMM CC(=O)NC[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000825871002 600820644 /nfs/dbraw/zinc/82/06/44/600820644.db2.gz KYMHPXBQXCSJMG-ZDUSSCGKSA-N -1 1 354.834 2.265 20 0 FEADMM COCCOC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000831763330 600847012 /nfs/dbraw/zinc/84/70/12/600847012.db2.gz PERJBTYMAJVHTL-LSDHHAIUSA-N -1 1 364.442 2.005 20 0 FEADMM COc1ccc(-c2[nH]ncc2C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000766812501 600866771 /nfs/dbraw/zinc/86/67/71/600866771.db2.gz ZSBWIONUQRSBCV-UHFFFAOYSA-N -1 1 358.379 2.421 20 0 FEADMM Cc1cccnc1[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)C ZINC000738322721 600956332 /nfs/dbraw/zinc/95/63/32/600956332.db2.gz YFHBBZMNCZVSOE-HNNXBMFYSA-N -1 1 362.455 2.399 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000829872980 601040323 /nfs/dbraw/zinc/04/03/23/601040323.db2.gz GVETUDKKVVMIMT-INIZCTEOSA-N -1 1 354.428 2.015 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000630226501 601090697 /nfs/dbraw/zinc/09/06/97/601090697.db2.gz YKBPFRHOEDQOHB-HNNXBMFYSA-N -1 1 362.470 2.370 20 0 FEADMM C[C@@H](CSc1ccccc1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630223459 601096712 /nfs/dbraw/zinc/09/67/12/601096712.db2.gz JJTICPWFPCJKGJ-LSDHHAIUSA-N -1 1 350.484 2.422 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)N2CCN3CCCC[C@H]3C2)c1OC ZINC000737854322 601100358 /nfs/dbraw/zinc/10/03/58/601100358.db2.gz NPAUZOANWBQGJS-ZDUSSCGKSA-N -1 1 363.414 2.104 20 0 FEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000647174078 601100709 /nfs/dbraw/zinc/10/07/09/601100709.db2.gz MOPQVTNBGVQDMP-ZDUSSCGKSA-N -1 1 358.398 2.014 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])cc3)CCO2)[nH]1 ZINC000647174078 601100712 /nfs/dbraw/zinc/10/07/12/601100712.db2.gz MOPQVTNBGVQDMP-ZDUSSCGKSA-N -1 1 358.398 2.014 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)c3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000647174333 601100891 /nfs/dbraw/zinc/10/08/91/601100891.db2.gz WXCWCYOFXBJVIM-CYBMUJFWSA-N -1 1 358.398 2.014 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3cccc(C(=O)[O-])c3)CCO2)[nH]1 ZINC000647174333 601100892 /nfs/dbraw/zinc/10/08/92/601100892.db2.gz WXCWCYOFXBJVIM-CYBMUJFWSA-N -1 1 358.398 2.014 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000832918681 601118390 /nfs/dbraw/zinc/11/83/90/601118390.db2.gz XXOHORDYPDHBDM-HUUCEWRRSA-N -1 1 370.453 2.318 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000827369275 601124056 /nfs/dbraw/zinc/12/40/56/601124056.db2.gz TTZLWUVFZSHBNC-OAHLLOKOSA-N -1 1 360.458 2.300 20 0 FEADMM Cc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1Br ZINC000630221441 601182660 /nfs/dbraw/zinc/18/26/60/601182660.db2.gz AHHSZKJUGQSVPX-GFCCVEGCSA-N -1 1 369.259 2.379 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC(CC(=O)[O-])CC3)n[nH]2)cc1OC ZINC000832111676 601280081 /nfs/dbraw/zinc/28/00/81/601280081.db2.gz IDINJYXVILDIPB-UHFFFAOYSA-N -1 1 373.409 2.421 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)CSc2n[nH]c(=S)s2)c2ccccc21 ZINC000833192353 601284668 /nfs/dbraw/zinc/28/46/68/601284668.db2.gz BLMBOZMEUDGGKK-MRVPVSSYSA-N -1 1 353.450 2.134 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1C[C@H](C)O ZINC000829141751 601332748 /nfs/dbraw/zinc/33/27/48/601332748.db2.gz PJFPDZKFJCOFLS-WFASDCNBSA-N -1 1 350.419 2.085 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)NCCSc2ccccc2)CC1 ZINC000827380291 601338823 /nfs/dbraw/zinc/33/88/23/601338823.db2.gz QSYJFKHYGPCWPY-AWEZNQCLSA-N -1 1 367.540 2.134 20 0 FEADMM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000830389867 601465134 /nfs/dbraw/zinc/46/51/34/601465134.db2.gz VMQLSCCHIZDGLJ-UHFFFAOYSA-N -1 1 373.365 2.191 20 0 FEADMM CCC1CCC(NCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)(C(=O)[O-])CC1 ZINC000829101863 601494953 /nfs/dbraw/zinc/49/49/53/601494953.db2.gz ZCWVPJJKPVTYBA-YJTLQXIOSA-N -1 1 352.475 2.170 20 0 FEADMM O=C([O-])[C@@H]1c2ccccc2CCN1CC(=O)NCCc1c(F)cccc1F ZINC000662234515 601543534 /nfs/dbraw/zinc/54/35/34/601543534.db2.gz PFBTZHLIMJCTEW-IBGZPJMESA-N -1 1 374.387 2.308 20 0 FEADMM O=C([O-])c1ccc(CN2CCN(C[C@H](O)c3ccccc3)CC2)cc1F ZINC000833314101 601630250 /nfs/dbraw/zinc/63/02/50/601630250.db2.gz ODKHZNBALOTZNE-IBGZPJMESA-N -1 1 358.413 2.375 20 0 FEADMM CC[C@H]1CN(CCn2cccn2)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000829152675 601631938 /nfs/dbraw/zinc/63/19/38/601631938.db2.gz ZCCPRKGLENVHIK-INIZCTEOSA-N -1 1 360.433 2.317 20 0 FEADMM C[C@@H](C(=O)[O-])[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000826054897 601652561 /nfs/dbraw/zinc/65/25/61/601652561.db2.gz RZBSNQHLWOACMC-SJKOYZFVSA-N -1 1 373.434 2.060 20 0 FEADMM OCCN(CCc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826510006 607522132 /nfs/dbraw/zinc/52/21/32/607522132.db2.gz UFXVBTSHGJFMFH-UHFFFAOYSA-N -1 1 350.835 2.018 20 0 FEADMM OCCN(CCc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826510006 607522133 /nfs/dbraw/zinc/52/21/33/607522133.db2.gz UFXVBTSHGJFMFH-UHFFFAOYSA-N -1 1 350.835 2.018 20 0 FEADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@H](C(=O)[O-])C(C)C)c1 ZINC000832430482 601825249 /nfs/dbraw/zinc/82/52/49/601825249.db2.gz BQPJKWNJZPGTTR-YJBOKZPZSA-N -1 1 364.442 2.066 20 0 FEADMM Cc1csc2nc(CSCc3ccnc(-c4nnn[n-]4)c3)cc(=O)n12 ZINC000826320995 607533003 /nfs/dbraw/zinc/53/30/03/607533003.db2.gz NCDSZYSIGCUZKO-UHFFFAOYSA-N -1 1 371.451 2.073 20 0 FEADMM Cc1csc2nc(CSCc3ccnc(-c4nn[n-]n4)c3)cc(=O)n12 ZINC000826320995 607533005 /nfs/dbraw/zinc/53/30/05/607533005.db2.gz NCDSZYSIGCUZKO-UHFFFAOYSA-N -1 1 371.451 2.073 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1-c1nn[nH]n1 ZINC000826304166 607533419 /nfs/dbraw/zinc/53/34/19/607533419.db2.gz ZNDOVQYFEXOPBX-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1C ZINC000829869668 601929399 /nfs/dbraw/zinc/92/93/99/601929399.db2.gz KEONZQAWIXWLOV-UHFFFAOYSA-N -1 1 372.424 2.369 20 0 FEADMM O=C([O-])NC[C@H]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000740643647 601938150 /nfs/dbraw/zinc/93/81/50/601938150.db2.gz TXLZOQSTIZZMFF-LLVKDONJSA-N -1 1 374.268 2.242 20 0 FEADMM CC(C)[C@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)c1ccc(F)cc1 ZINC000738786647 601947413 /nfs/dbraw/zinc/94/74/13/601947413.db2.gz BNKYJSPIULJSBX-DYVFJYSZSA-N -1 1 351.422 2.229 20 0 FEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398179105 601988906 /nfs/dbraw/zinc/98/89/06/601988906.db2.gz HCBHFKPXQFJCMD-WMLDXEAASA-N -1 1 374.462 2.326 20 0 FEADMM C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739039971 601990458 /nfs/dbraw/zinc/99/04/58/601990458.db2.gz PEELDJHSJQYWST-DTWKUNHWSA-N -1 1 366.361 2.161 20 0 FEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000828487271 602018382 /nfs/dbraw/zinc/01/83/82/602018382.db2.gz OMZJFPIHJSJFFL-XJKSGUPXSA-N -1 1 368.437 2.265 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000738262284 602019897 /nfs/dbraw/zinc/01/98/97/602019897.db2.gz WJRZSFPMODHFFT-OAHLLOKOSA-N -1 1 364.446 2.167 20 0 FEADMM O=Cc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826483876 607539655 /nfs/dbraw/zinc/53/96/55/607539655.db2.gz DHKUMVCJJOOSFF-UHFFFAOYSA-N -1 1 360.171 2.416 20 0 FEADMM O=Cc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826483876 607539659 /nfs/dbraw/zinc/53/96/59/607539659.db2.gz DHKUMVCJJOOSFF-UHFFFAOYSA-N -1 1 360.171 2.416 20 0 FEADMM C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738983695 602052693 /nfs/dbraw/zinc/05/26/93/602052693.db2.gz WDMHUDWCZUWWEX-MJBXVCDLSA-N -1 1 368.503 2.429 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)c1cccs1 ZINC000739605846 602054002 /nfs/dbraw/zinc/05/40/02/602054002.db2.gz CZELYINLZGJGAU-QWHCGFSZSA-N -1 1 354.476 2.135 20 0 FEADMM O=S1(=O)c2cccc3cccc(c23)N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826496950 607541758 /nfs/dbraw/zinc/54/17/58/607541758.db2.gz OWQQXSZEYDLVNW-UHFFFAOYSA-N -1 1 364.390 2.124 20 0 FEADMM O=S1(=O)c2cccc3cccc(c23)N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826496950 607541760 /nfs/dbraw/zinc/54/17/60/607541760.db2.gz OWQQXSZEYDLVNW-UHFFFAOYSA-N -1 1 364.390 2.124 20 0 FEADMM C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915822 602097554 /nfs/dbraw/zinc/09/75/54/602097554.db2.gz IMZUFOYTGFXUEK-HZPDHXFCSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1n[nH]c([C@@H]2CCCN([C@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000832997447 602234132 /nfs/dbraw/zinc/23/41/32/602234132.db2.gz YOROJYFJUGTYLN-DGCLKSJQSA-N -1 1 359.430 2.207 20 0 FEADMM Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)[nH]1 ZINC000832997447 602234133 /nfs/dbraw/zinc/23/41/33/602234133.db2.gz YOROJYFJUGTYLN-DGCLKSJQSA-N -1 1 359.430 2.207 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000739009469 602261482 /nfs/dbraw/zinc/26/14/82/602261482.db2.gz LYGANLJUZVUCOI-AVGNSLFASA-N -1 1 365.396 2.298 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000739006940 602274199 /nfs/dbraw/zinc/27/41/99/602274199.db2.gz GMPSUGOJZOGHCP-CJNGLKHVSA-N -1 1 351.422 2.295 20 0 FEADMM COc1ccccc1CN(C)C(=O)CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000739977462 602275298 /nfs/dbraw/zinc/27/52/98/602275298.db2.gz ZZCSBFIDLWGXEB-ZBFHGGJFSA-N -1 1 363.458 2.164 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000739026404 602443583 /nfs/dbraw/zinc/44/35/83/602443583.db2.gz LHRZIFWSOQNALO-WCQYABFASA-N -1 1 365.396 2.155 20 0 FEADMM Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740180617 602448688 /nfs/dbraw/zinc/44/86/88/602448688.db2.gz HQJJRIUWPWXWGR-HZPDHXFCSA-N -1 1 361.486 2.410 20 0 FEADMM C[C@H](CCNC(=O)c1n[nH]c2ccc(Br)cc21)NC(=O)[O-] ZINC000738902698 602495338 /nfs/dbraw/zinc/49/53/38/602495338.db2.gz DSGSOMSCEKSNTO-SSDOTTSWSA-N -1 1 355.192 2.101 20 0 FEADMM CN(C(=O)[O-])C1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000737927339 602540411 /nfs/dbraw/zinc/54/04/11/602540411.db2.gz AGADMRGSCUJDMX-HNNXBMFYSA-N -1 1 364.446 2.200 20 0 FEADMM CN(C[C@@H]1CCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1)C(=O)[O-] ZINC000739667167 602542633 /nfs/dbraw/zinc/54/26/33/602542633.db2.gz WKHYBHKFIKMMRV-LBPRGKRZSA-N -1 1 374.466 2.341 20 0 FEADMM Cc1nn(C)c2nc(Cl)c(CN3CC[C@H](CN(C)C(=O)[O-])C3)cc12 ZINC000740257467 602543572 /nfs/dbraw/zinc/54/35/72/602543572.db2.gz UVIWHUVWFIVRQZ-LLVKDONJSA-N -1 1 351.838 2.362 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000740121932 602543621 /nfs/dbraw/zinc/54/36/21/602543621.db2.gz MNVJCPRJAGNTAW-QGZVFWFLSA-N -1 1 359.470 2.418 20 0 FEADMM O=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826484163 607572478 /nfs/dbraw/zinc/57/24/78/607572478.db2.gz QARNYAKKDHAGPF-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM C[C@H](CNC(=O)[O-])N(C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000738939055 602554646 /nfs/dbraw/zinc/55/46/46/602554646.db2.gz LURGJRXQTBXRBJ-MRVPVSSYSA-N -1 1 373.335 2.108 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])c1ccsc1 ZINC000739608611 602566281 /nfs/dbraw/zinc/56/62/81/602566281.db2.gz PMBUKPWFWOIULV-HZPDHXFCSA-N -1 1 361.467 2.346 20 0 FEADMM CCOc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825659036 607575126 /nfs/dbraw/zinc/57/51/26/607575126.db2.gz MZSPNJGYMDSXOY-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCOc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825659036 607575127 /nfs/dbraw/zinc/57/51/27/607575127.db2.gz MZSPNJGYMDSXOY-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCC(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825043980 607575518 /nfs/dbraw/zinc/57/55/18/607575518.db2.gz LKWTXPPTLIXWEF-UHFFFAOYSA-N -1 1 363.365 2.352 20 0 FEADMM CSc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826231130 607578443 /nfs/dbraw/zinc/57/84/43/607578443.db2.gz YJZLBYUWTHKBFZ-UHFFFAOYSA-N -1 1 366.399 2.495 20 0 FEADMM CSc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826231130 607578445 /nfs/dbraw/zinc/57/84/45/607578445.db2.gz YJZLBYUWTHKBFZ-UHFFFAOYSA-N -1 1 366.399 2.495 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000826283546 607579067 /nfs/dbraw/zinc/57/90/67/607579067.db2.gz TZCXXUGIUGOTOE-SECBINFHSA-N -1 1 367.818 2.461 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000740674693 602666912 /nfs/dbraw/zinc/66/69/12/602666912.db2.gz XSOCGIRGZOXHHB-UHFFFAOYSA-N -1 1 369.356 2.308 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000740674693 602666914 /nfs/dbraw/zinc/66/69/14/602666914.db2.gz XSOCGIRGZOXHHB-UHFFFAOYSA-N -1 1 369.356 2.308 20 0 FEADMM CC(C)c1noc([C@H](C)N2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)n1 ZINC000738886286 602706600 /nfs/dbraw/zinc/70/66/00/602706600.db2.gz USIMCQFXSPQWMT-GJZGRUSLSA-N -1 1 365.478 2.262 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCN(C(=O)[O-])C[C@H]1C)c1ccco1 ZINC000739407917 602755529 /nfs/dbraw/zinc/75/55/29/602755529.db2.gz NNZQPVJSBDOPOY-ZIAGYGMSSA-N -1 1 352.435 2.056 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739175727 602764178 /nfs/dbraw/zinc/76/41/78/602764178.db2.gz KTAQOBAQWPUIAG-XUJVJEKNSA-N -1 1 353.850 2.323 20 0 FEADMM O=S(=O)([N-]c1ccncc1Br)c1cnn(C2CCCC2)c1 ZINC000634656399 677078958 /nfs/dbraw/zinc/07/89/58/677078958.db2.gz LCSJQNLEFIBLMI-UHFFFAOYSA-N -1 1 371.260 2.378 20 0 FEADMM CCc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000825712228 607588552 /nfs/dbraw/zinc/58/85/52/607588552.db2.gz OAPSFOOHILRIRU-UHFFFAOYSA-N -1 1 367.431 2.108 20 0 FEADMM CCc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000825712228 607588554 /nfs/dbraw/zinc/58/85/54/607588554.db2.gz OAPSFOOHILRIRU-UHFFFAOYSA-N -1 1 367.431 2.108 20 0 FEADMM C[C@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@H](C)N1C(=O)[O-] ZINC000739179000 602835154 /nfs/dbraw/zinc/83/51/54/602835154.db2.gz ATLWBBKEJWCDTC-STQMWFEESA-N -1 1 351.472 2.096 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000740698474 602851520 /nfs/dbraw/zinc/85/15/20/602851520.db2.gz MKCAIAYQWSDLCE-UHFFFAOYSA-N -1 1 370.409 2.272 20 0 FEADMM O=S(=O)(NCc1cc2ccccc2o1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492124 607591712 /nfs/dbraw/zinc/59/17/12/607591712.db2.gz UQHKEXORWFNVGB-UHFFFAOYSA-N -1 1 373.369 2.231 20 0 FEADMM O=S(=O)(NCc1cc2ccccc2o1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492124 607591714 /nfs/dbraw/zinc/59/17/14/607591714.db2.gz UQHKEXORWFNVGB-UHFFFAOYSA-N -1 1 373.369 2.231 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1ccsc1 ZINC000739609148 602888294 /nfs/dbraw/zinc/88/82/94/602888294.db2.gz SPXFGRLUCNDFTC-UONOGXRCSA-N -1 1 354.476 2.183 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000558747658 674514402 /nfs/dbraw/zinc/51/44/02/674514402.db2.gz SBBFFVJXPLASKX-GOSISDBHSA-N -1 1 359.813 2.336 20 0 FEADMM O=C([O-])N1CC[C@@H](CN2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 ZINC000740497860 602979879 /nfs/dbraw/zinc/97/98/79/602979879.db2.gz BUWCNSSORXHGQI-AWEZNQCLSA-N -1 1 365.861 2.027 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccnc1SC(F)F ZINC000826467481 607598645 /nfs/dbraw/zinc/59/86/45/607598645.db2.gz YCNYDFBVFUYYKX-UHFFFAOYSA-N -1 1 364.337 2.328 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccnc1SC(F)F ZINC000826467481 607598647 /nfs/dbraw/zinc/59/86/47/607598647.db2.gz YCNYDFBVFUYYKX-UHFFFAOYSA-N -1 1 364.337 2.328 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000738824915 603037386 /nfs/dbraw/zinc/03/73/86/603037386.db2.gz MTLPMMBZFUDDLI-ZDUSSCGKSA-N -1 1 368.409 2.394 20 0 FEADMM O=S(=O)(Oc1cc(F)cc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493457 607604043 /nfs/dbraw/zinc/60/40/43/607604043.db2.gz LNBDWLBCQNGFBD-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cc(F)cc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493457 607604045 /nfs/dbraw/zinc/60/40/45/607604045.db2.gz LNBDWLBCQNGFBD-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)c2)CC1 ZINC000739735690 603181846 /nfs/dbraw/zinc/18/18/46/603181846.db2.gz CUXJPNYJXLPNJC-WMZOPIPTSA-N -1 1 374.485 2.199 20 0 FEADMM COc1ccc([C@@H](CNC(=O)C[C@@H](C)NC(=O)[O-])N2CCCCC2)cc1 ZINC000829309850 603231659 /nfs/dbraw/zinc/23/16/59/603231659.db2.gz DUDAKXCAEZVLPJ-RHSMWYFYSA-N -1 1 363.458 2.385 20 0 FEADMM Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1NC(=O)[O-] ZINC000830230630 603345397 /nfs/dbraw/zinc/34/53/97/603345397.db2.gz OBYFAYLNZVFTJY-UHFFFAOYSA-N -1 1 369.425 2.484 20 0 FEADMM CCN(CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1)C(=O)[O-] ZINC000827089737 603503043 /nfs/dbraw/zinc/50/30/43/603503043.db2.gz SJOJZFDXIDGTDY-INIZCTEOSA-N -1 1 361.486 2.446 20 0 FEADMM Cc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)cc1NC(=O)[O-] ZINC000830206106 603508688 /nfs/dbraw/zinc/50/86/88/603508688.db2.gz XEHHEPMBXQZSRU-AWEZNQCLSA-N -1 1 352.354 2.117 20 0 FEADMM C[C@H](NC(=O)Nc1cnn(-c2ccncc2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825170834 603555879 /nfs/dbraw/zinc/55/58/79/603555879.db2.gz DZGSYVYGGWXGEP-QWHCGFSZSA-N -1 1 358.402 2.167 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000829592815 603581620 /nfs/dbraw/zinc/58/16/20/603581620.db2.gz UVLSOEXKWGPQGT-LSDHHAIUSA-N -1 1 363.458 2.289 20 0 FEADMM COc1cccc([C@H](CNC(=O)C2(CNC(=O)[O-])CCCC2)N(C)C)c1 ZINC000829544237 603619918 /nfs/dbraw/zinc/61/99/18/603619918.db2.gz UBLXZWVUFPIPQG-INIZCTEOSA-N -1 1 363.458 2.242 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-])c1ccsc1 ZINC000827994031 603688847 /nfs/dbraw/zinc/68/88/47/603688847.db2.gz GSYOFRGGNXJCNB-NWANDNLSSA-N -1 1 368.503 2.476 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262711 603743281 /nfs/dbraw/zinc/74/32/81/603743281.db2.gz XBRFZBKVGPXLRY-LSDHHAIUSA-N -1 1 364.446 2.167 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000826111044 603803232 /nfs/dbraw/zinc/80/32/32/603803232.db2.gz YCNKOYWKGPGGNB-NHYWBVRUSA-N -1 1 367.421 2.007 20 0 FEADMM O=C([O-])N1CC[C@](F)(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000831895961 603816126 /nfs/dbraw/zinc/81/61/26/603816126.db2.gz RLWDDPNCNACQRR-MLGOLLRUSA-N -1 1 355.435 2.093 20 0 FEADMM COc1cc(CNCc2cccc3c2N(C(=O)[O-])CC3)ccc1OCCO ZINC000829124541 603852824 /nfs/dbraw/zinc/85/28/24/603852824.db2.gz JHMGVHJXEIGADS-UHFFFAOYSA-N -1 1 372.421 2.397 20 0 FEADMM CC(C)(CNC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000823930143 603886238 /nfs/dbraw/zinc/88/62/38/603886238.db2.gz DXVPTWUYLJIUIO-CYBMUJFWSA-N -1 1 352.435 2.152 20 0 FEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000826087475 603892283 /nfs/dbraw/zinc/89/22/83/603892283.db2.gz NYAGSCWEEHSGMH-PVAVHDDUSA-N -1 1 360.458 2.264 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000827993178 603970029 /nfs/dbraw/zinc/97/00/29/603970029.db2.gz AUEBEHMIGGERTO-RBSFLKMASA-N -1 1 353.850 2.495 20 0 FEADMM CN(C)[C@H](CNC(=O)C1CCN(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827994281 603970144 /nfs/dbraw/zinc/97/01/44/603970144.db2.gz JVKBQYMNNLPETB-OAHLLOKOSA-N -1 1 353.850 2.449 20 0 FEADMM CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000827040467 604006759 /nfs/dbraw/zinc/00/67/59/604006759.db2.gz VZWDGNKNRCPSPP-AWEZNQCLSA-N -1 1 365.430 2.055 20 0 FEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000824959381 604045874 /nfs/dbraw/zinc/04/58/74/604045874.db2.gz KTIADUSMGPVZKS-SMDDNHRTSA-N -1 1 356.854 2.240 20 0 FEADMM COc1cccc([C@@H](CNC(=O)[C@@H](C)CN(C)C(=O)[O-])N2CCCC2)c1 ZINC000829543583 604064680 /nfs/dbraw/zinc/06/46/80/604064680.db2.gz MXHNUTJDZBUMFW-WMLDXEAASA-N -1 1 363.458 2.194 20 0 FEADMM CN(CCNC(=O)c1ccc(CNC(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000828329978 604066824 /nfs/dbraw/zinc/06/68/24/604066824.db2.gz QHUFVJSQXVJVJU-UHFFFAOYSA-N -1 1 359.401 2.455 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000825256231 604217586 /nfs/dbraw/zinc/21/75/86/604217586.db2.gz VNILKMISJYWOQG-AVGNSLFASA-N -1 1 363.414 2.110 20 0 FEADMM O=C([O-])NC1(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000832161362 604421461 /nfs/dbraw/zinc/42/14/61/604421461.db2.gz GKUYJKWKWNNHCY-AWEZNQCLSA-N -1 1 351.834 2.393 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)cc(F)c1 ZINC000831373602 604641678 /nfs/dbraw/zinc/64/16/78/604641678.db2.gz JDFVRRGQFPLIOY-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Cc1nc([C@H]2CCCN(C(=O)C[C@@H](Cc3ccccc3)NC(=O)[O-])C2)n[nH]1 ZINC000830739514 604646957 /nfs/dbraw/zinc/64/69/57/604646957.db2.gz YFPYIMLSBJAGFG-JKSUJKDBSA-N -1 1 371.441 2.088 20 0 FEADMM CN1CC[C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833697620 604706844 /nfs/dbraw/zinc/70/68/44/604706844.db2.gz HFZYZBLVZONZBC-ROUUACIJSA-N -1 1 374.462 2.250 20 0 FEADMM COC(=O)c1c(C)c(C)sc1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000831230943 604744323 /nfs/dbraw/zinc/74/43/23/604744323.db2.gz RRBHNIQUBKFWJS-SECBINFHSA-N -1 1 368.455 2.275 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C(F)F ZINC000630222043 604769438 /nfs/dbraw/zinc/76/94/38/604769438.db2.gz BZTRRTSPUFJSIP-GFCCVEGCSA-N -1 1 372.416 2.098 20 0 FEADMM CCOC(=O)CCCCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825506829 607715697 /nfs/dbraw/zinc/71/56/97/607715697.db2.gz NYKNACGBXAOGQV-UHFFFAOYSA-N -1 1 370.413 2.009 20 0 FEADMM CCc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000825705085 607716925 /nfs/dbraw/zinc/71/69/25/607716925.db2.gz VWDYABNHGLMATG-UHFFFAOYSA-N -1 1 374.404 2.330 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCOc1ccc(F)cc1 ZINC000826294928 607717572 /nfs/dbraw/zinc/71/75/72/607717572.db2.gz JTESPVQNZQNPEY-UHFFFAOYSA-N -1 1 366.356 2.103 20 0 FEADMM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833544675 604900580 /nfs/dbraw/zinc/90/05/80/604900580.db2.gz IHQXMHAATURHFT-CABZTGNLSA-N -1 1 353.831 2.356 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833541032 604900884 /nfs/dbraw/zinc/90/08/84/604900884.db2.gz PTWPUECHORGNMS-KWQFWETISA-N -1 1 372.208 2.296 20 0 FEADMM Cc1sc2[nH]c(CN(CCC(=O)[O-])C3CCOCC3)nc(=O)c2c1C ZINC000833758643 604921409 /nfs/dbraw/zinc/92/14/09/604921409.db2.gz JFZXOWFSBBRTRL-UHFFFAOYSA-N -1 1 365.455 2.469 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000833421173 604935120 /nfs/dbraw/zinc/93/51/20/604935120.db2.gz JATDTCALOLBXQM-CYBMUJFWSA-N -1 1 362.426 2.219 20 0 FEADMM CC(C)C[C@@H](NC(=O)CNC1(c2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000833481825 604948007 /nfs/dbraw/zinc/94/80/07/604948007.db2.gz OAQRKZMKVSMCCD-MRXNPFEDSA-N -1 1 366.433 2.037 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC000829780874 605012651 /nfs/dbraw/zinc/01/26/51/605012651.db2.gz MZFPQDOCNFNUES-HNNXBMFYSA-N -1 1 360.458 2.300 20 0 FEADMM CC(C)c1nc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[nH]1 ZINC000833512796 605023566 /nfs/dbraw/zinc/02/35/66/605023566.db2.gz VHMKMVJGHSNIAC-LLVKDONJSA-N -1 1 355.398 2.458 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000833767879 605024909 /nfs/dbraw/zinc/02/49/09/605024909.db2.gz SOMRJNPYKMTTGS-ZDUSSCGKSA-N -1 1 360.757 2.144 20 0 FEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833623291 605041801 /nfs/dbraw/zinc/04/18/01/605041801.db2.gz JQZWTJDWDHTGRH-ZWNOBZJWSA-N -1 1 360.863 2.045 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000833626811 605053268 /nfs/dbraw/zinc/05/32/68/605053268.db2.gz RJKWDCDABKRKCX-HLLBOEOZSA-N -1 1 369.506 2.018 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000833626936 605103166 /nfs/dbraw/zinc/10/31/66/605103166.db2.gz SQBYMGRITFCICU-CRAIPNDOSA-N -1 1 360.454 2.202 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000833618767 605154763 /nfs/dbraw/zinc/15/47/63/605154763.db2.gz FSRKPTIUGDNJLH-HVHJFMEUSA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1N1CCCCC1 ZINC000833623891 605158332 /nfs/dbraw/zinc/15/83/32/605158332.db2.gz GVNQJUBVPOHTHR-MRXNPFEDSA-N -1 1 359.470 2.298 20 0 FEADMM CN(CC(=O)Nc1nnc(C(C)(C)C)s1)C1CCC(NC(=O)[O-])CC1 ZINC000828120473 605158968 /nfs/dbraw/zinc/15/89/68/605158968.db2.gz OVLUGZBHLDXTDH-UHFFFAOYSA-N -1 1 369.491 2.285 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])N1CCC[C@@H](C)C1 ZINC000833614631 605171223 /nfs/dbraw/zinc/17/12/23/605171223.db2.gz QSWOLQCZYUJRMX-NEPJUHHUSA-N -1 1 374.890 2.437 20 0 FEADMM CC(C)COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ccco1 ZINC000577175260 605198689 /nfs/dbraw/zinc/19/86/89/605198689.db2.gz NEBYTDQFHDXHOV-GFCCVEGCSA-N -1 1 357.384 2.263 20 0 FEADMM CN(Cc1cc(=O)c(O)co1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694352 605210323 /nfs/dbraw/zinc/21/03/23/605210323.db2.gz HIGIIFLYWTUXLV-AWEZNQCLSA-N -1 1 368.183 2.366 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000833713893 605212932 /nfs/dbraw/zinc/21/29/32/605212932.db2.gz YBQDJCKUWGGUJH-AVGNSLFASA-N -1 1 362.426 2.476 20 0 FEADMM CC(=O)N1CC[C@@H](CN(C)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833390088 605217475 /nfs/dbraw/zinc/21/74/75/605217475.db2.gz IMGLFHORYWJOHQ-AWEZNQCLSA-N -1 1 357.410 2.340 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCN1CCC(=O)[O-] ZINC000833618447 605251299 /nfs/dbraw/zinc/25/12/99/605251299.db2.gz OFNJDIWGYQQTAT-MRVWCRGKSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833544168 605251465 /nfs/dbraw/zinc/25/14/65/605251465.db2.gz ZAWMEZXKPPASPG-CHWSQXEVSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833544170 605251526 /nfs/dbraw/zinc/25/15/26/605251526.db2.gz ZAWMEZXKPPASPG-OLZOCXBDSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(N3CCCCCC3)nc2)CCN1CCC(=O)[O-] ZINC000833625506 605278696 /nfs/dbraw/zinc/27/86/96/605278696.db2.gz YPEXPNNBWWCYCV-MRXNPFEDSA-N -1 1 374.485 2.083 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CCN1CCC(=O)[O-] ZINC000833621523 605279053 /nfs/dbraw/zinc/27/90/53/605279053.db2.gz KEGVDEGGXIFQDK-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM CC(=O)NC1CCC(N(C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000833395701 605431070 /nfs/dbraw/zinc/43/10/70/605431070.db2.gz IWYGNWNPXLMFLB-UHFFFAOYSA-N -1 1 361.442 2.011 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830036590 605436001 /nfs/dbraw/zinc/43/60/01/605436001.db2.gz UZLIPPWHNCCBBP-LBPRGKRZSA-N -1 1 359.430 2.196 20 0 FEADMM O=C([O-])N(CC1CC1)C1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000834286555 605438361 /nfs/dbraw/zinc/43/83/61/605438361.db2.gz AMNUIYXEZLQXDZ-UHFFFAOYSA-N -1 1 369.425 2.466 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103296 605471446 /nfs/dbraw/zinc/47/14/46/605471446.db2.gz AHONNVNOSALIHG-DLBZAZTESA-N -1 1 359.474 2.431 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103296 605471451 /nfs/dbraw/zinc/47/14/51/605471451.db2.gz AHONNVNOSALIHG-DLBZAZTESA-N -1 1 359.474 2.431 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103300 605471529 /nfs/dbraw/zinc/47/15/29/605471529.db2.gz AHONNVNOSALIHG-IAGOWNOFSA-N -1 1 359.474 2.431 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103300 605471533 /nfs/dbraw/zinc/47/15/33/605471533.db2.gz AHONNVNOSALIHG-IAGOWNOFSA-N -1 1 359.474 2.431 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000833814877 605485589 /nfs/dbraw/zinc/48/55/89/605485589.db2.gz FQEZQKWYWABFDE-SOUVJXGZSA-N -1 1 364.446 2.104 20 0 FEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000834241786 605566386 /nfs/dbraw/zinc/56/63/86/605566386.db2.gz UPMUATWRAVEIII-LBPRGKRZSA-N -1 1 357.813 2.075 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)SC)c1-c1nn[n-]n1 ZINC000826231696 607764262 /nfs/dbraw/zinc/76/42/62/607764262.db2.gz WBFUSRALUOWQIV-MRVPVSSYSA-N -1 1 364.500 2.342 20 0 FEADMM NC(=O)c1n[nH]c2ccc(NC(=O)[C@H]3CCCCCC[C@H]3NC(=O)[O-])cc21 ZINC000833985952 605618792 /nfs/dbraw/zinc/61/87/92/605618792.db2.gz CCQJWGVUHBZGOM-WCQYABFASA-N -1 1 373.413 2.207 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000834107347 605725349 /nfs/dbraw/zinc/72/53/49/605725349.db2.gz MOXODFNIRVPOLC-GOEBONIOSA-N -1 1 356.430 2.152 20 0 FEADMM O=C([O-])Nc1cccc(CC(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000834267282 605826324 /nfs/dbraw/zinc/82/63/24/605826324.db2.gz VPTKFCUAXPKQJA-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM O=C([O-])Nc1cccc(CC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000834267282 605826328 /nfs/dbraw/zinc/82/63/28/605826328.db2.gz VPTKFCUAXPKQJA-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM CC(C)(C)c1ccc(S(=O)(=O)CCN[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000823858807 605849928 /nfs/dbraw/zinc/84/99/28/605849928.db2.gz CLLDRXQOEXZZGS-CQSZACIVSA-N -1 1 354.472 2.100 20 0 FEADMM O=C([O-])N1CC[C@H](NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000831954046 605860338 /nfs/dbraw/zinc/86/03/38/605860338.db2.gz XNVLDYWALHONHW-AAEUAGOBSA-N -1 1 352.740 2.432 20 0 FEADMM O=C([O-])N[C@H](CNC(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000834145318 605932975 /nfs/dbraw/zinc/93/29/75/605932975.db2.gz NZDSSWOKESVYSW-HUUCEWRRSA-N -1 1 364.446 2.152 20 0 FEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000834094926 605966323 /nfs/dbraw/zinc/96/63/23/605966323.db2.gz IHNQBGLADXTRIR-KGLIPLIRSA-N -1 1 362.817 2.065 20 0 FEADMM O=C([O-])N[C@H](CC(F)F)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000834131053 606016328 /nfs/dbraw/zinc/01/63/28/606016328.db2.gz HPOAFOZIZYLXMW-CQSZACIVSA-N -1 1 373.375 2.198 20 0 FEADMM CCc1ccc(O)c(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000821487421 606054593 /nfs/dbraw/zinc/05/45/93/606054593.db2.gz SRXSEGZKGPZKQF-UHFFFAOYSA-N -1 1 372.410 2.210 20 0 FEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CC[C@@H](O)C1 ZINC000823488482 606110337 /nfs/dbraw/zinc/11/03/37/606110337.db2.gz OGTQTYRNZHCRNU-GFCCVEGCSA-N -1 1 369.356 2.005 20 0 FEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CC[C@@H](O)C1 ZINC000823488482 606110338 /nfs/dbraw/zinc/11/03/38/606110338.db2.gz OGTQTYRNZHCRNU-GFCCVEGCSA-N -1 1 369.356 2.005 20 0 FEADMM O=C([N-]C[C@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1)C(F)(F)F ZINC000810070685 674529441 /nfs/dbraw/zinc/52/94/41/674529441.db2.gz VGQQBWOATLCJRS-SNVBAGLBSA-N -1 1 358.320 2.220 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCc2ccccc21 ZINC000820508254 606135341 /nfs/dbraw/zinc/13/53/41/606135341.db2.gz NCVKJMFAEFPTIC-JTQLQIEISA-N -1 1 369.406 2.063 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCc2ccccc21 ZINC000820508254 606135343 /nfs/dbraw/zinc/13/53/43/606135343.db2.gz NCVKJMFAEFPTIC-JTQLQIEISA-N -1 1 369.406 2.063 20 0 FEADMM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822323300 606138334 /nfs/dbraw/zinc/13/83/34/606138334.db2.gz DQONKZJRTFATRH-SNVBAGLBSA-N -1 1 357.395 2.421 20 0 FEADMM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822323300 606138336 /nfs/dbraw/zinc/13/83/36/606138336.db2.gz DQONKZJRTFATRH-SNVBAGLBSA-N -1 1 357.395 2.421 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc3ccccc3c2)n1 ZINC000822620520 606163320 /nfs/dbraw/zinc/16/33/20/606163320.db2.gz UYBYXGYSSNMORP-UHFFFAOYSA-N -1 1 362.397 2.118 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc3ccccc3c2)n1 ZINC000822620520 606163322 /nfs/dbraw/zinc/16/33/22/606163322.db2.gz UYBYXGYSSNMORP-UHFFFAOYSA-N -1 1 362.397 2.118 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000822609803 606167607 /nfs/dbraw/zinc/16/76/07/606167607.db2.gz VPYQUBSMMYOSLA-CYBMUJFWSA-N -1 1 356.365 2.108 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000822609803 606167609 /nfs/dbraw/zinc/16/76/09/606167609.db2.gz VPYQUBSMMYOSLA-CYBMUJFWSA-N -1 1 356.365 2.108 20 0 FEADMM C[C@H]1CCN(C(=O)OC2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000810079449 674530107 /nfs/dbraw/zinc/53/01/07/674530107.db2.gz GJJNKSPCLFZJSZ-NHCYSSNCSA-N -1 1 352.353 2.079 20 0 FEADMM CC(C)c1ncc(S(=O)(=O)Oc2cc(N(C)C)cc(N(C)C)c2)[n-]1 ZINC000810080460 674530170 /nfs/dbraw/zinc/53/01/70/674530170.db2.gz DCDWKWKFZHQPKV-UHFFFAOYSA-N -1 1 352.460 2.433 20 0 FEADMM CC(C)c1nc(S(=O)(=O)Oc2cc(N(C)C)cc(N(C)C)c2)c[n-]1 ZINC000810080460 674530173 /nfs/dbraw/zinc/53/01/73/674530173.db2.gz DCDWKWKFZHQPKV-UHFFFAOYSA-N -1 1 352.460 2.433 20 0 FEADMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(C)c1 ZINC000820908701 606448219 /nfs/dbraw/zinc/44/82/19/606448219.db2.gz PLKKDMGPGRNGCB-CQSZACIVSA-N -1 1 352.398 2.158 20 0 FEADMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(C)c1 ZINC000820908701 606448221 /nfs/dbraw/zinc/44/82/21/606448221.db2.gz PLKKDMGPGRNGCB-CQSZACIVSA-N -1 1 352.398 2.158 20 0 FEADMM OC[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000823706763 606452813 /nfs/dbraw/zinc/45/28/13/606452813.db2.gz ORAAUNAKYDLKEZ-SNVBAGLBSA-N -1 1 350.835 2.240 20 0 FEADMM OC[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000823706763 606452815 /nfs/dbraw/zinc/45/28/15/606452815.db2.gz ORAAUNAKYDLKEZ-SNVBAGLBSA-N -1 1 350.835 2.240 20 0 FEADMM Clc1ccc(Nc2cnn(Cc3ccccn3)c2)nc1-c1nnn[n-]1 ZINC000822578674 606463401 /nfs/dbraw/zinc/46/34/01/606463401.db2.gz NSVPSFZGPZUWOR-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM Clc1ccc(Nc2cnn(Cc3ccccn3)c2)nc1-c1nn[n-]n1 ZINC000822578674 606463403 /nfs/dbraw/zinc/46/34/03/606463403.db2.gz NSVPSFZGPZUWOR-UHFFFAOYSA-N -1 1 353.777 2.299 20 0 FEADMM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821839810 606497424 /nfs/dbraw/zinc/49/74/24/606497424.db2.gz YUFLXHFINZDITB-VIFPVBQESA-N -1 1 359.411 2.436 20 0 FEADMM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821839810 606497426 /nfs/dbraw/zinc/49/74/26/606497426.db2.gz YUFLXHFINZDITB-VIFPVBQESA-N -1 1 359.411 2.436 20 0 FEADMM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1ccc(-c2nnn[n-]2)s1 ZINC000823542502 606497720 /nfs/dbraw/zinc/49/77/20/606497720.db2.gz WKVMAYGZHNRRHD-UHFFFAOYSA-N -1 1 358.408 2.225 20 0 FEADMM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1ccc(-c2nn[n-]n2)s1 ZINC000823542502 606497722 /nfs/dbraw/zinc/49/77/22/606497722.db2.gz WKVMAYGZHNRRHD-UHFFFAOYSA-N -1 1 358.408 2.225 20 0 FEADMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819826580 606500963 /nfs/dbraw/zinc/50/09/63/606500963.db2.gz JYESWXIETZMFPL-VIFPVBQESA-N -1 1 356.411 2.378 20 0 FEADMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819826580 606500965 /nfs/dbraw/zinc/50/09/65/606500965.db2.gz JYESWXIETZMFPL-VIFPVBQESA-N -1 1 356.411 2.378 20 0 FEADMM O=C(Oc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454712 606514331 /nfs/dbraw/zinc/51/43/31/606514331.db2.gz RPNFOPCTUFEXKK-UHFFFAOYSA-N -1 1 355.379 2.496 20 0 FEADMM O=C(Oc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454712 606514332 /nfs/dbraw/zinc/51/43/32/606514332.db2.gz RPNFOPCTUFEXKK-UHFFFAOYSA-N -1 1 355.379 2.496 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175352 606525390 /nfs/dbraw/zinc/52/53/90/606525390.db2.gz GKDCKUCDTUFYRQ-LBPRGKRZSA-N -1 1 354.439 2.185 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175352 606525391 /nfs/dbraw/zinc/52/53/91/606525391.db2.gz GKDCKUCDTUFYRQ-LBPRGKRZSA-N -1 1 354.439 2.185 20 0 FEADMM COc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1OCCC(C)C ZINC000821703182 606531048 /nfs/dbraw/zinc/53/10/48/606531048.db2.gz SJOJWZZEHRATPT-UHFFFAOYSA-N -1 1 371.401 2.276 20 0 FEADMM COc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1OCCC(C)C ZINC000821703182 606531049 /nfs/dbraw/zinc/53/10/49/606531049.db2.gz SJOJWZZEHRATPT-UHFFFAOYSA-N -1 1 371.401 2.276 20 0 FEADMM CCN(CC)Cc1csc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821196978 606531191 /nfs/dbraw/zinc/53/11/91/606531191.db2.gz DJMMWZIRQFEUFU-UHFFFAOYSA-N -1 1 363.472 2.479 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000823290035 606533521 /nfs/dbraw/zinc/53/35/21/606533521.db2.gz SCDVBXKFVVJPHB-UHFFFAOYSA-N -1 1 365.378 2.463 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2c(s1)-c1ccccc1OC2 ZINC000823290035 606533522 /nfs/dbraw/zinc/53/35/22/606533522.db2.gz SCDVBXKFVVJPHB-UHFFFAOYSA-N -1 1 365.378 2.463 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000822004671 606552914 /nfs/dbraw/zinc/55/29/14/606552914.db2.gz JZYOGFTXZSXTNH-GFCCVEGCSA-N -1 1 358.446 2.164 20 0 FEADMM COc1ccc(O[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821837959 606576048 /nfs/dbraw/zinc/57/60/48/606576048.db2.gz IJQIVKFYWNLIGG-SNVBAGLBSA-N -1 1 359.411 2.134 20 0 FEADMM COc1ccc(O[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821837959 606576051 /nfs/dbraw/zinc/57/60/51/606576051.db2.gz IJQIVKFYWNLIGG-SNVBAGLBSA-N -1 1 359.411 2.134 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000823435875 606648446 /nfs/dbraw/zinc/64/84/46/606648446.db2.gz CDQOAODOLOKWAQ-UHFFFAOYSA-N -1 1 365.328 2.148 20 0 FEADMM CSc1ccc(O[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821983457 606653716 /nfs/dbraw/zinc/65/37/16/606653716.db2.gz HXVPHYBAPMLCBA-LLVKDONJSA-N -1 1 371.422 2.494 20 0 FEADMM CSc1ccc(O[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821983457 606653717 /nfs/dbraw/zinc/65/37/17/606653717.db2.gz HXVPHYBAPMLCBA-LLVKDONJSA-N -1 1 371.422 2.494 20 0 FEADMM Clc1ccc(OCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)nc1 ZINC000822578079 606723395 /nfs/dbraw/zinc/72/33/95/606723395.db2.gz CGWDDQMNZOTPGN-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM Clc1ccc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)nc1 ZINC000822578079 606723396 /nfs/dbraw/zinc/72/33/96/606723396.db2.gz CGWDDQMNZOTPGN-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820697457 606841925 /nfs/dbraw/zinc/84/19/25/606841925.db2.gz HPTIXXPUAFGBCH-JQWIXIFHSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820697496 606844743 /nfs/dbraw/zinc/84/47/43/606844743.db2.gz HZFQMDRNXOZQBS-MNOVXSKESA-N -1 1 353.423 2.205 20 0 FEADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000823583597 606871073 /nfs/dbraw/zinc/87/10/73/606871073.db2.gz VTMZBYRUECOXLR-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC2(CCC2)C1 ZINC000823600707 606937798 /nfs/dbraw/zinc/93/77/98/606937798.db2.gz LCDRNMHGXICPHM-UHFFFAOYSA-N -1 1 353.835 2.085 20 0 FEADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820819057 606975815 /nfs/dbraw/zinc/97/58/15/606975815.db2.gz DNEBFEZMBKLBCZ-VIFPVBQESA-N -1 1 356.336 2.299 20 0 FEADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820819057 606975817 /nfs/dbraw/zinc/97/58/17/606975817.db2.gz DNEBFEZMBKLBCZ-VIFPVBQESA-N -1 1 356.336 2.299 20 0 FEADMM O=C(CCc1nc(-c2cccs2)no1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822987480 607024306 /nfs/dbraw/zinc/02/43/06/607024306.db2.gz YGMDNNOHSLHKOG-UHFFFAOYSA-N -1 1 374.411 2.006 20 0 FEADMM O=C(CCc1nc(-c2cccs2)no1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822987480 607024308 /nfs/dbraw/zinc/02/43/08/607024308.db2.gz YGMDNNOHSLHKOG-UHFFFAOYSA-N -1 1 374.411 2.006 20 0 FEADMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c2cccc(F)c2n1 ZINC000822209670 607024919 /nfs/dbraw/zinc/02/49/19/607024919.db2.gz RDMBRDHULKTMTF-UHFFFAOYSA-N -1 1 367.392 2.212 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[nH]n1 ZINC000821015676 607117032 /nfs/dbraw/zinc/11/70/32/607117032.db2.gz SBHRTSSYIULICD-JTQLQIEISA-N -1 1 361.431 2.294 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1Cl)c1ccccc1F ZINC000823583334 607123355 /nfs/dbraw/zinc/12/33/55/607123355.db2.gz NKRCQMACRFGSNW-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000822535235 607134902 /nfs/dbraw/zinc/13/49/02/607134902.db2.gz KNKFCUULRSJXBJ-AAEUAGOBSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000822535235 607134904 /nfs/dbraw/zinc/13/49/04/607134904.db2.gz KNKFCUULRSJXBJ-AAEUAGOBSA-N -1 1 370.413 2.104 20 0 FEADMM Clc1ccc(N[C@@H]2CCOC3(CCOCC3)C2)nc1-c1nnn[n-]1 ZINC000822578554 607175861 /nfs/dbraw/zinc/17/58/61/607175861.db2.gz KMNOREZCQSFBCV-SNVBAGLBSA-N -1 1 350.810 2.055 20 0 FEADMM Clc1ccc(N[C@@H]2CCOC3(CCOCC3)C2)nc1-c1nn[n-]n1 ZINC000822578554 607175862 /nfs/dbraw/zinc/17/58/62/607175862.db2.gz KMNOREZCQSFBCV-SNVBAGLBSA-N -1 1 350.810 2.055 20 0 FEADMM CC(C)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000820056552 607218717 /nfs/dbraw/zinc/21/87/17/607218717.db2.gz QMLICXZMRKKONJ-CYBMUJFWSA-N -1 1 374.836 2.015 20 0 FEADMM CC(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824024797 607865137 /nfs/dbraw/zinc/86/51/37/607865137.db2.gz PWVCWYCNITWOIV-UHFFFAOYSA-N -1 1 355.329 2.226 20 0 FEADMM CC(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824024797 607865138 /nfs/dbraw/zinc/86/51/38/607865138.db2.gz PWVCWYCNITWOIV-UHFFFAOYSA-N -1 1 355.329 2.226 20 0 FEADMM COc1ccc(OC)c([C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826211355 607874724 /nfs/dbraw/zinc/87/47/24/607874724.db2.gz YTOFLXSFJKQIBN-CYBMUJFWSA-N -1 1 360.345 2.135 20 0 FEADMM COc1ccc(OC)c([C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826211355 607874725 /nfs/dbraw/zinc/87/47/25/607874725.db2.gz YTOFLXSFJKQIBN-CYBMUJFWSA-N -1 1 360.345 2.135 20 0 FEADMM COc1cccc(CN(C[C@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826216027 607903190 /nfs/dbraw/zinc/90/31/90/607903190.db2.gz GYDARXLTWBQUMX-MRXNPFEDSA-N -1 1 366.425 2.456 20 0 FEADMM COc1cccc(CN(C[C@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826216027 607903191 /nfs/dbraw/zinc/90/31/91/607903191.db2.gz GYDARXLTWBQUMX-MRXNPFEDSA-N -1 1 366.425 2.456 20 0 FEADMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826455427 608027685 /nfs/dbraw/zinc/02/76/85/608027685.db2.gz NSASGBWHFWFHOO-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826455427 608027686 /nfs/dbraw/zinc/02/76/86/608027686.db2.gz NSASGBWHFWFHOO-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCC(F)(F)F ZINC000826232873 608075579 /nfs/dbraw/zinc/07/55/79/608075579.db2.gz LSJOWAWWVBEHKL-UHFFFAOYSA-N -1 1 373.335 2.402 20 0 FEADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826430628 608102795 /nfs/dbraw/zinc/10/27/95/608102795.db2.gz HJKKZWMIQZESOB-LLVKDONJSA-N -1 1 372.429 2.466 20 0 FEADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826430628 608102796 /nfs/dbraw/zinc/10/27/96/608102796.db2.gz HJKKZWMIQZESOB-LLVKDONJSA-N -1 1 372.429 2.466 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000826232867 608131319 /nfs/dbraw/zinc/13/13/19/608131319.db2.gz LOLKPNSCULHTHG-ZDUSSCGKSA-N -1 1 372.473 2.411 20 0 FEADMM COCCn1ccc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000826163619 608165997 /nfs/dbraw/zinc/16/59/97/608165997.db2.gz CNDSQEQKNZEPHW-UHFFFAOYSA-N -1 1 363.381 2.115 20 0 FEADMM COCCn1ccc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000826163619 608165998 /nfs/dbraw/zinc/16/59/98/608165998.db2.gz CNDSQEQKNZEPHW-UHFFFAOYSA-N -1 1 363.381 2.115 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(Cc2cccnc2)CC1 ZINC000826472710 608168337 /nfs/dbraw/zinc/16/83/37/608168337.db2.gz UVKMFUNOOJVQPP-UHFFFAOYSA-N -1 1 354.439 2.418 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(Cc2cccnc2)CC1 ZINC000826472710 608168338 /nfs/dbraw/zinc/16/83/38/608168338.db2.gz UVKMFUNOOJVQPP-UHFFFAOYSA-N -1 1 354.439 2.418 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826231793 608200289 /nfs/dbraw/zinc/20/02/89/608200289.db2.gz ZTZZEMQHJRHTOT-GXSJLCMTSA-N -1 1 374.470 2.016 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826098679 608238174 /nfs/dbraw/zinc/23/81/74/608238174.db2.gz LRHSSGDJCGOYTM-SNVBAGLBSA-N -1 1 364.837 2.331 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826098679 608238176 /nfs/dbraw/zinc/23/81/76/608238176.db2.gz LRHSSGDJCGOYTM-SNVBAGLBSA-N -1 1 364.837 2.331 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2F)C[C@H](C)O1 ZINC000824991421 608400215 /nfs/dbraw/zinc/40/02/15/608400215.db2.gz AWSBNLQBADHIHT-QWRGUYRKSA-N -1 1 370.392 2.153 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2F)C[C@H](C)O1 ZINC000824991421 608400216 /nfs/dbraw/zinc/40/02/16/608400216.db2.gz AWSBNLQBADHIHT-QWRGUYRKSA-N -1 1 370.392 2.153 20 0 FEADMM Brc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC000823832453 608402718 /nfs/dbraw/zinc/40/27/18/608402718.db2.gz OYJPPFHLMGERLK-JTQLQIEISA-N -1 1 374.202 2.355 20 0 FEADMM Brc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC000823832453 608402719 /nfs/dbraw/zinc/40/27/19/608402719.db2.gz OYJPPFHLMGERLK-JTQLQIEISA-N -1 1 374.202 2.355 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826208537 608410642 /nfs/dbraw/zinc/41/06/42/608410642.db2.gz PMCBTEWELYDPBN-NSHDSACASA-N -1 1 372.820 2.010 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826208537 608410643 /nfs/dbraw/zinc/41/06/43/608410643.db2.gz PMCBTEWELYDPBN-NSHDSACASA-N -1 1 372.820 2.010 20 0 FEADMM Fc1cc(Nc2ccc(-c3nnn[n-]3)nn2)ccc1NC[C@@H]1CCCO1 ZINC000826372879 608421689 /nfs/dbraw/zinc/42/16/89/608421689.db2.gz PKZYCSQYSIXEGB-NSHDSACASA-N -1 1 356.365 2.130 20 0 FEADMM Fc1cc(Nc2ccc(-c3nn[n-]n3)nn2)ccc1NC[C@@H]1CCCO1 ZINC000826372879 608421691 /nfs/dbraw/zinc/42/16/91/608421691.db2.gz PKZYCSQYSIXEGB-NSHDSACASA-N -1 1 356.365 2.130 20 0 FEADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825341567 608527957 /nfs/dbraw/zinc/52/79/57/608527957.db2.gz FHPDHEVEYGIUOH-UHFFFAOYSA-N -1 1 359.411 2.456 20 0 FEADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000826280668 608542738 /nfs/dbraw/zinc/54/27/38/608542738.db2.gz LKJGVBAYAWXBQM-UHFFFAOYSA-N -1 1 369.473 2.189 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000826280668 608542740 /nfs/dbraw/zinc/54/27/40/608542740.db2.gz LKJGVBAYAWXBQM-UHFFFAOYSA-N -1 1 369.473 2.189 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1CCCCC1(C)C ZINC000825923460 608556563 /nfs/dbraw/zinc/55/65/63/608556563.db2.gz IPTHFISGXQAOLX-GFCCVEGCSA-N -1 1 374.493 2.170 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1CCCCC1(C)C ZINC000825923460 608556565 /nfs/dbraw/zinc/55/65/65/608556565.db2.gz IPTHFISGXQAOLX-GFCCVEGCSA-N -1 1 374.493 2.170 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3cc(F)ccc3C2)c(-c2nn[n-]n2)c1C ZINC000826341738 608593239 /nfs/dbraw/zinc/59/32/39/608593239.db2.gz OZJIWGROBGMPED-UHFFFAOYSA-N -1 1 370.388 2.212 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826293796 609264692 /nfs/dbraw/zinc/26/46/92/609264692.db2.gz BQXAWLPRCISGOM-BTDLBPIBSA-N -1 1 352.398 2.064 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826293796 609264694 /nfs/dbraw/zinc/26/46/94/609264694.db2.gz BQXAWLPRCISGOM-BTDLBPIBSA-N -1 1 352.398 2.064 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC000826344892 609267410 /nfs/dbraw/zinc/26/74/10/609267410.db2.gz VRVTYBWUWNLBEW-KVPUOBJLSA-N -1 1 364.409 2.410 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC000826344892 609267412 /nfs/dbraw/zinc/26/74/12/609267412.db2.gz VRVTYBWUWNLBEW-KVPUOBJLSA-N -1 1 364.409 2.410 20 0 FEADMM O=C(C=Cc1ccco1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826402857 609288150 /nfs/dbraw/zinc/28/81/50/609288150.db2.gz DMMUGXQKHYTHOF-VOTSOKGWSA-N -1 1 365.328 2.436 20 0 FEADMM CCN(C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000825377113 609296412 /nfs/dbraw/zinc/29/64/12/609296412.db2.gz UBRXOSMIJXHKTH-UHFFFAOYSA-N -1 1 356.411 2.356 20 0 FEADMM CCN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000825376370 609356029 /nfs/dbraw/zinc/35/60/29/609356029.db2.gz GCKMVGPOEUATSW-UHFFFAOYSA-N -1 1 356.365 2.208 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1(C2CC2)CC1 ZINC000826458439 609356914 /nfs/dbraw/zinc/35/69/14/609356914.db2.gz PXMGDHABGQWDOK-UHFFFAOYSA-N -1 1 368.376 2.256 20 0 FEADMM C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)C1 ZINC000824916141 609401481 /nfs/dbraw/zinc/40/14/81/609401481.db2.gz JMHSPRUJATXVIG-BDJLRTHQSA-N -1 1 365.434 2.207 20 0 FEADMM CC(C)c1nc([C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC000824359130 609494469 /nfs/dbraw/zinc/49/44/69/609494469.db2.gz STEIMUWEQJTSJC-GFCCVEGCSA-N -1 1 355.406 2.285 20 0 FEADMM CC(C)c1nc([C@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC000824359130 609494472 /nfs/dbraw/zinc/49/44/72/609494472.db2.gz STEIMUWEQJTSJC-GFCCVEGCSA-N -1 1 355.406 2.285 20 0 FEADMM Cc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000826300379 609571249 /nfs/dbraw/zinc/57/12/49/609571249.db2.gz SKZOBRNUXRIOBP-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM COc1cnc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nc1 ZINC000560055423 674565717 /nfs/dbraw/zinc/56/57/17/674565717.db2.gz JFLVKLUZWZNZPO-UHFFFAOYSA-N -1 1 361.814 2.833 20 0 FEADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810904765 674567682 /nfs/dbraw/zinc/56/76/82/674567682.db2.gz ICVPTNHKGGQGQC-BXKDBHETSA-N -1 1 361.364 2.312 20 0 FEADMM O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000560347545 674578930 /nfs/dbraw/zinc/57/89/30/674578930.db2.gz RFADPMJIRMXOBQ-NSHDSACASA-N -1 1 357.805 2.263 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1c(F)ccc(SCC2CC2)c1F ZINC000560254520 674573580 /nfs/dbraw/zinc/57/35/80/674573580.db2.gz GFPJZXCBEZBPHX-UHFFFAOYSA-N -1 1 351.382 2.399 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ncsc2C(C)C)cc1 ZINC000811267026 674591649 /nfs/dbraw/zinc/59/16/49/674591649.db2.gz XUOUTVJOWPPXIQ-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM Cc1ccnc2ccc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc12 ZINC000560620592 674604361 /nfs/dbraw/zinc/60/43/61/674604361.db2.gz HCBWOEUITKLTBI-UHFFFAOYSA-N -1 1 357.391 2.149 20 0 FEADMM O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1cc(Br)ccc1[O-] ZINC000811569144 674614440 /nfs/dbraw/zinc/61/44/40/674614440.db2.gz UQERRDGXXNCFQB-IUODEOHRSA-N -1 1 364.195 2.379 20 0 FEADMM Cc1cnc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c([O-])c1 ZINC000561773770 674698049 /nfs/dbraw/zinc/69/80/49/674698049.db2.gz JKDLXPZZIARCHC-GFCCVEGCSA-N -1 1 369.190 2.461 20 0 FEADMM CSc1cccc(N2C[C@@H](C(=O)[N-]OCCOC(C)C)CC2=O)c1 ZINC000812802351 674699056 /nfs/dbraw/zinc/69/90/56/674699056.db2.gz IYINNTLDAOKMPZ-ZDUSSCGKSA-N -1 1 352.456 2.234 20 0 FEADMM COC[C@@H](C)n1ccc(=NC(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)[nH]1 ZINC000562687902 674787529 /nfs/dbraw/zinc/78/75/29/674787529.db2.gz IJNMRCGLJWWGGA-SNVBAGLBSA-N -1 1 360.443 2.338 20 0 FEADMM Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000562733113 674797372 /nfs/dbraw/zinc/79/73/72/674797372.db2.gz PAKUSVFTGVCSJL-BXKDBHETSA-N -1 1 361.876 2.334 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c(O)c1 ZINC000562809163 674812209 /nfs/dbraw/zinc/81/22/09/674812209.db2.gz QFDHXIKQLPTCJZ-UHFFFAOYSA-N -1 1 361.375 2.410 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2C)c1 ZINC000562890758 674820081 /nfs/dbraw/zinc/82/00/81/674820081.db2.gz ZDXNRZCXBZORJI-UHFFFAOYSA-N -1 1 365.455 2.430 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1c(N)noc1C)Oc1cccc(Cl)c1 ZINC000562902931 674820724 /nfs/dbraw/zinc/82/07/24/674820724.db2.gz YOVOMKLNMGYBOD-NSHDSACASA-N -1 1 359.835 2.355 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(F)cc1C ZINC000815045119 674906918 /nfs/dbraw/zinc/90/69/18/674906918.db2.gz OIDBQIBHENFDGF-LBPRGKRZSA-N -1 1 351.346 2.387 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)n1 ZINC000564075196 674970482 /nfs/dbraw/zinc/97/04/82/674970482.db2.gz FIIJDIMUNWQFOW-NSHDSACASA-N -1 1 367.427 2.291 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)CCCC1 ZINC000564341145 674998030 /nfs/dbraw/zinc/99/80/30/674998030.db2.gz HLBRWRMLQRDFMT-LLVKDONJSA-N -1 1 373.475 2.081 20 0 FEADMM CC(C)(O)CO[N-]C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000816384616 675052409 /nfs/dbraw/zinc/05/24/09/675052409.db2.gz UZRUTVRCSPXPMJ-SECBINFHSA-N -1 1 361.225 2.165 20 0 FEADMM O=C(c1nc(Br)ccc1F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000816525425 675062292 /nfs/dbraw/zinc/06/22/92/675062292.db2.gz SKGXMTKGSCBJKO-UHFFFAOYSA-N -1 1 371.166 2.092 20 0 FEADMM CC[C@@](O)(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1cccc(Cl)c1 ZINC000816498854 675060223 /nfs/dbraw/zinc/06/02/23/675060223.db2.gz RKIZNUFEWDWJIR-DIFFPNOSSA-N -1 1 365.817 2.432 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c[nH]nc4c3)ccc21 ZINC000007320459 669967069 /nfs/dbraw/zinc/96/70/69/669967069.db2.gz DGNAPIIWNHQYTM-UHFFFAOYSA-N -1 1 356.407 2.273 20 0 FEADMM CCC(Nc1ccc(C)cc1F)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009949857 669985420 /nfs/dbraw/zinc/98/54/20/669985420.db2.gz JJWMLYDOWJVVNC-OWBHPGMISA-N -1 1 365.430 2.100 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)CCN1C(=S)N=NC1c1cccc(C)c1 ZINC000816740876 675076579 /nfs/dbraw/zinc/07/65/79/675076579.db2.gz QKFLZYRZNABVOP-UHFFFAOYSA-N -1 1 358.427 2.308 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 ZINC000816741366 675076756 /nfs/dbraw/zinc/07/67/56/675076756.db2.gz JABRTGUOTWQNET-UHFFFAOYSA-N -1 1 361.383 2.215 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c1Cl ZINC000028060140 670086213 /nfs/dbraw/zinc/08/62/13/670086213.db2.gz NOAZBTUCRHZKOK-UHFFFAOYSA-N -1 1 370.681 2.376 20 0 FEADMM COc1cccc(CC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000029817576 670104105 /nfs/dbraw/zinc/10/41/05/670104105.db2.gz MSNUNWOSMGBRTQ-UHFFFAOYSA-N -1 1 364.423 2.257 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2csc(Br)c2)c1Cl ZINC000030444697 670110347 /nfs/dbraw/zinc/11/03/47/670110347.db2.gz BQZVLYKWDMSQGF-UHFFFAOYSA-N -1 1 370.681 2.376 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1C ZINC000032591146 670130322 /nfs/dbraw/zinc/13/03/22/670130322.db2.gz KMLIAZGQIQDMBB-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1)c1cc(Br)cnc1Cl ZINC000041065767 670141954 /nfs/dbraw/zinc/14/19/54/670141954.db2.gz BRIOVTFTSHMPLY-UHFFFAOYSA-N -1 1 362.636 2.371 20 0 FEADMM O=S(=O)([N-]Cc1ccccn1)c1cc(Br)cnc1Cl ZINC000041065766 670142180 /nfs/dbraw/zinc/14/21/80/670142180.db2.gz BOMOWGSPVPDCRJ-UHFFFAOYSA-N -1 1 362.636 2.371 20 0 FEADMM CCCS(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)c1ccccc1C ZINC000042017792 670155493 /nfs/dbraw/zinc/15/54/93/670155493.db2.gz ZWXMAKPAUJMGKX-UHFFFAOYSA-N -1 1 360.435 2.254 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)o1 ZINC000046316080 670220768 /nfs/dbraw/zinc/22/07/68/670220768.db2.gz AVQNDHOLWSWLRF-GFCCVEGCSA-N -1 1 365.407 2.233 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCOc1ccccc1C#N ZINC000051694950 670302702 /nfs/dbraw/zinc/30/27/02/670302702.db2.gz SRALKKQCCFGOMF-UHFFFAOYSA-N -1 1 366.420 2.227 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)N(CC)CC ZINC000052172230 670310052 /nfs/dbraw/zinc/31/00/52/670310052.db2.gz DINBXOBPSOVCSD-ZDUSSCGKSA-N -1 1 370.471 2.252 20 0 FEADMM CC(=O)Nc1ccc(F)c(C(=O)[N-]NC(=O)c2cc3c(s2)CCC3)c1 ZINC000053090756 670320312 /nfs/dbraw/zinc/32/03/12/670320312.db2.gz FQMZDBINWHOYIY-UHFFFAOYSA-N -1 1 361.398 2.409 20 0 FEADMM O=C(Nc1cccc(OCC(F)F)n1)c1ccc2n[n-]c(=S)n2c1 ZINC000817085252 675096886 /nfs/dbraw/zinc/09/68/86/675096886.db2.gz XZQIHTFJILUFFF-UHFFFAOYSA-N -1 1 351.338 2.309 20 0 FEADMM CCCc1noc(COC(=O)c2ccccc2[N-]S(=O)(=O)CC)n1 ZINC000062294512 670399889 /nfs/dbraw/zinc/39/98/89/670399889.db2.gz NUCYZQUNHFAPTF-UHFFFAOYSA-N -1 1 353.400 2.141 20 0 FEADMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2n[n-]c(=S)n2C2CC2)C1 ZINC000066637645 670445822 /nfs/dbraw/zinc/44/58/22/670445822.db2.gz VCGJRQWFYBOEBD-NEPJUHHUSA-N -1 1 365.503 2.176 20 0 FEADMM COc1cccc2c1OCC(C(=O)NCc1n[n-]c(=S)n1C1CC1)=C2 ZINC000067070410 670452542 /nfs/dbraw/zinc/45/25/42/670452542.db2.gz NZCMFRLZNPCBQO-UHFFFAOYSA-N -1 1 358.423 2.376 20 0 FEADMM N#C[C@H](C(=O)COCC1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833480 670489337 /nfs/dbraw/zinc/48/93/37/670489337.db2.gz ZXVBQRLSYYBAPS-GFCCVEGCSA-N -1 1 357.435 2.466 20 0 FEADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)cc1 ZINC000072913336 670498692 /nfs/dbraw/zinc/49/86/92/670498692.db2.gz CJMJCNVSRXGQIP-UHFFFAOYSA-N -1 1 365.455 2.459 20 0 FEADMM C[C@H](C[S@](C)=O)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000565335759 675112709 /nfs/dbraw/zinc/11/27/09/675112709.db2.gz GYBVFOSTKLRMEV-ZEDNOMKYSA-N -1 1 371.256 2.200 20 0 FEADMM C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000074294823 670517297 /nfs/dbraw/zinc/51/72/97/670517297.db2.gz QJCDARNVHHYVFC-XHDPSFHLSA-N -1 1 354.435 2.273 20 0 FEADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1cccs1 ZINC000077510924 670566119 /nfs/dbraw/zinc/56/61/19/670566119.db2.gz GSRWPHQQQLFYTR-VIFPVBQESA-N -1 1 360.844 2.379 20 0 FEADMM Cc1cnn(CCN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC000817294881 675118827 /nfs/dbraw/zinc/11/88/27/675118827.db2.gz STVRTJQPCLPNMJ-CQSZACIVSA-N -1 1 352.360 2.301 20 0 FEADMM C[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000569778974 670610462 /nfs/dbraw/zinc/61/04/62/670610462.db2.gz CBLKPLTYNWANLB-GFCCVEGCSA-N -1 1 365.430 2.391 20 0 FEADMM C[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000569778974 670610466 /nfs/dbraw/zinc/61/04/66/670610466.db2.gz CBLKPLTYNWANLB-GFCCVEGCSA-N -1 1 365.430 2.391 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000080279480 670620498 /nfs/dbraw/zinc/62/04/98/670620498.db2.gz WDUUPOTXZLWLJS-ZJUUUORDSA-N -1 1 358.250 2.444 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1ccc([S@@](=O)C(F)(F)F)cc1)OC ZINC000817353036 675123992 /nfs/dbraw/zinc/12/39/92/675123992.db2.gz MIRROFNUZLDEEN-LADRHHBVSA-N -1 1 359.391 2.481 20 0 FEADMM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1=O ZINC000080786065 670631150 /nfs/dbraw/zinc/63/11/50/670631150.db2.gz BLGDZZJVUBITEM-QMMMGPOBSA-N -1 1 366.270 2.066 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1cccc([S@](C)=O)c1 ZINC000084322964 670667342 /nfs/dbraw/zinc/66/73/42/670667342.db2.gz CDHOIJFLLURFJU-HSZRJFAPSA-N -1 1 353.473 2.062 20 0 FEADMM CC(C)C[C@H](C(=O)NCc1n[n-]c(=S)n1C1CC1)N1CCCCC1=O ZINC000087304436 670687085 /nfs/dbraw/zinc/68/70/85/670687085.db2.gz PNDCFUZCBSNPJY-CYBMUJFWSA-N -1 1 365.503 2.319 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000089285174 670697378 /nfs/dbraw/zinc/69/73/78/670697378.db2.gz PZWVUFHKTCWHRK-LBPRGKRZSA-N -1 1 354.863 2.396 20 0 FEADMM O=C([N-]CCC[S@@](=O)c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000091537775 670728641 /nfs/dbraw/zinc/72/86/41/670728641.db2.gz MWNXXNAQGZIERN-QHCPKHFHSA-N -1 1 351.346 2.024 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1c(C)cc(Br)cc1C=O ZINC000092345500 670738189 /nfs/dbraw/zinc/73/81/89/670738189.db2.gz UOKAMYNLNPTXKB-UHFFFAOYSA-N -1 1 359.201 2.369 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C[C@H]2CCCCN12 ZINC000570937856 670790565 /nfs/dbraw/zinc/79/05/65/670790565.db2.gz SCVBLKNINHZPGP-SFYZADRCSA-N -1 1 369.295 2.487 20 0 FEADMM CCCOC(=O)CCNC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000106835874 670813380 /nfs/dbraw/zinc/81/33/80/670813380.db2.gz YMSMABZZKYYLEU-UHFFFAOYSA-N -1 1 362.455 2.376 20 0 FEADMM CCCN(CCC)S(=O)(=O)[N-][C@@H](C(=O)OC)c1cc(F)ccc1F ZINC000110797307 670851971 /nfs/dbraw/zinc/85/19/71/670851971.db2.gz LPPPUCNKGLBGJB-CQSZACIVSA-N -1 1 364.414 2.135 20 0 FEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)cc1 ZINC000572088032 670959493 /nfs/dbraw/zinc/95/94/93/670959493.db2.gz GMMBGRMKVSLIIT-UHFFFAOYSA-N -1 1 351.428 2.337 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000572163993 670968796 /nfs/dbraw/zinc/96/87/96/670968796.db2.gz JMIXBWCRHHBWHQ-XDTLVQLUSA-N -1 1 350.415 2.032 20 0 FEADMM CCC[C@H](O)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817675523 675160307 /nfs/dbraw/zinc/16/03/07/675160307.db2.gz QOPOIHLJPKZPMF-OLZOCXBDSA-N -1 1 358.360 2.174 20 0 FEADMM CC(C)(C)OCc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)no1 ZINC000565976408 675165358 /nfs/dbraw/zinc/16/53/58/675165358.db2.gz GDWUGOUAOJIMJT-UHFFFAOYSA-N -1 1 350.375 2.098 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)[nH]n1 ZINC000574131829 671205549 /nfs/dbraw/zinc/20/55/49/671205549.db2.gz BWYTXTFVTYYCJT-UHFFFAOYSA-N -1 1 355.391 2.479 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000566163849 675188022 /nfs/dbraw/zinc/18/80/22/675188022.db2.gz BUAKYSASNPPHMU-APPZFPTMSA-N -1 1 368.238 2.236 20 0 FEADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000574684732 671267826 /nfs/dbraw/zinc/26/78/26/671267826.db2.gz KSCLWZTYRAXJNL-JOCHJYFZSA-N -1 1 351.449 2.396 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)Nc2ccc3c(C)[nH]nc3c2)c1 ZINC000576273764 671356952 /nfs/dbraw/zinc/35/69/52/671356952.db2.gz CJYRPDUMJCELNI-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)c1 ZINC000576273764 671356956 /nfs/dbraw/zinc/35/69/56/671356956.db2.gz CJYRPDUMJCELNI-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)c1 ZINC000576273764 671356960 /nfs/dbraw/zinc/35/69/60/671356960.db2.gz CJYRPDUMJCELNI-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000576999170 671410020 /nfs/dbraw/zinc/41/00/20/671410020.db2.gz VFQBJDDCKUWEEW-IBGZPJMESA-N -1 1 359.447 2.189 20 0 FEADMM C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])sc3C(C)(C)C)C[C@@H]21 ZINC000577497456 671600307 /nfs/dbraw/zinc/60/03/07/671600307.db2.gz UERYEXMEDNTKTJ-MNOVXSKESA-N -1 1 372.512 2.068 20 0 FEADMM CN1CC[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])sc3C(C)(C)C)C[C@@H]21 ZINC000577497456 671600308 /nfs/dbraw/zinc/60/03/08/671600308.db2.gz UERYEXMEDNTKTJ-MNOVXSKESA-N -1 1 372.512 2.068 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000609393270 675921111 /nfs/dbraw/zinc/92/11/11/675921111.db2.gz APGSTWKZDSGVPL-AWEZNQCLSA-N -1 1 355.362 2.027 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)[C@@H]1CCC[C@@H](OC)C1 ZINC000577877989 671626246 /nfs/dbraw/zinc/62/62/46/671626246.db2.gz ZMMPRVJJYMLKRR-DSZOFWSKSA-N -1 1 373.515 2.233 20 0 FEADMM Cc1c(Br)ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1F ZINC000577927231 671628778 /nfs/dbraw/zinc/62/87/78/671628778.db2.gz SYRZWXTWRSDYET-SECBINFHSA-N -1 1 368.210 2.430 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000578072634 671638614 /nfs/dbraw/zinc/63/86/14/671638614.db2.gz JJDQAUUVQSSYPV-UONOGXRCSA-N -1 1 352.456 2.455 20 0 FEADMM CO[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)[C@@H](C(=O)[O-])C1 ZINC000579130699 671714368 /nfs/dbraw/zinc/71/43/68/671714368.db2.gz RCXMNPRFYYYICF-ZYHUDNBSSA-N -1 1 372.215 2.242 20 0 FEADMM CCc1nc(SCC(=O)Nc2nnc(-c3ccco3)o2)[n-]c(=O)c1C ZINC000579854221 671765933 /nfs/dbraw/zinc/76/59/33/671765933.db2.gz QIYKPSMZIVDJIB-UHFFFAOYSA-N -1 1 361.383 2.427 20 0 FEADMM O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1[O-])N1CCCC1 ZINC000580033091 671777862 /nfs/dbraw/zinc/77/78/62/671777862.db2.gz FCFGMAUNEWSCBN-CQSZACIVSA-N -1 1 366.845 2.289 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cnccc1-n1cccn1 ZINC000580399400 671803542 /nfs/dbraw/zinc/80/35/42/671803542.db2.gz VNSBLHZIAOJEEO-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)ccc1OC ZINC000610056968 675948794 /nfs/dbraw/zinc/94/87/94/675948794.db2.gz UXGRCRBPIGBPPK-UHFFFAOYSA-N -1 1 361.379 2.159 20 0 FEADMM O=S(=O)([N-][C@H]([C@H]1CCCO1)C1(CO)CCC1)c1cc2ccccc2o1 ZINC000581101231 671863474 /nfs/dbraw/zinc/86/34/74/671863474.db2.gz YAUJUFNDVQOAJB-NVXWUHKLSA-N -1 1 365.451 2.421 20 0 FEADMM Cc1c([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cc3ccccc3o2)cnn1C ZINC000581171561 671869699 /nfs/dbraw/zinc/86/96/99/671869699.db2.gz UAUJAZFPCUVXJD-WMLDXEAASA-N -1 1 361.423 2.283 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C12CCC2 ZINC000581417159 671894496 /nfs/dbraw/zinc/89/44/96/671894496.db2.gz FEQHKRQLWNBKCL-MNOVXSKESA-N -1 1 367.393 2.065 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)c(Br)o1 ZINC000119671276 671905027 /nfs/dbraw/zinc/90/50/27/671905027.db2.gz FGZGCTBUXIIUGW-HTQZYQBOSA-N -1 1 366.233 2.296 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)c(Br)o1 ZINC000119671430 671905226 /nfs/dbraw/zinc/90/52/26/671905226.db2.gz FGZGCTBUXIIUGW-JGVFFNPUSA-N -1 1 366.233 2.296 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)c(Br)o1 ZINC000119671134 671905397 /nfs/dbraw/zinc/90/53/97/671905397.db2.gz FGZGCTBUXIIUGW-YUMQZZPRSA-N -1 1 366.233 2.296 20 0 FEADMM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)s1 ZINC000121004417 671940412 /nfs/dbraw/zinc/94/04/12/671940412.db2.gz PUPFIMPUHKNEOC-VIFPVBQESA-N -1 1 358.441 2.433 20 0 FEADMM C[C@H]1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000582179310 671976304 /nfs/dbraw/zinc/97/63/04/671976304.db2.gz WDNCJEAXHWLVAG-XJKSGUPXSA-N -1 1 351.422 2.010 20 0 FEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)CC1 ZINC000123705412 671984110 /nfs/dbraw/zinc/98/41/10/671984110.db2.gz VWXYLEHMPBVGNT-UHFFFAOYSA-N -1 1 374.890 2.451 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2ccc(Cl)c(Br)c2)s1 ZINC000125990755 672018848 /nfs/dbraw/zinc/01/88/48/672018848.db2.gz MGMZXMFKRAAOMN-QMMMGPOBSA-N -1 1 362.636 2.388 20 0 FEADMM COC(=O)N1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000133277219 672108438 /nfs/dbraw/zinc/10/84/38/672108438.db2.gz VQJUQMKRIYPVEX-UHFFFAOYSA-N -1 1 357.204 2.115 20 0 FEADMM O=C(NCC1N=NC(=S)N1C1CC1)c1ccc(Br)c([O-])c1 ZINC000133412569 672110270 /nfs/dbraw/zinc/11/02/70/672110270.db2.gz PNUODYGMTZKHHX-UHFFFAOYSA-N -1 1 369.244 2.300 20 0 FEADMM CC(C)n1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000583779822 672125276 /nfs/dbraw/zinc/12/52/76/672125276.db2.gz LLFQOZTWQLYMND-UHFFFAOYSA-N -1 1 368.459 2.064 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)s1 ZINC000137431428 672142558 /nfs/dbraw/zinc/14/25/58/672142558.db2.gz YEGZKQMTSKZMSL-AWEZNQCLSA-N -1 1 353.403 2.203 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)CCC(F)(F)F)CCc2ccccc21 ZINC000585736712 672228556 /nfs/dbraw/zinc/22/85/56/672228556.db2.gz ADIFTIKNHPKZLQ-AWEZNQCLSA-N -1 1 365.373 2.263 20 0 FEADMM COC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000586756730 672240124 /nfs/dbraw/zinc/24/01/24/672240124.db2.gz CNZIYOHHUNFPBK-ZETCQYMHSA-N -1 1 356.227 2.093 20 0 FEADMM CC[C@H](C(=O)N[N-]C(=O)c1cnc(C(F)(F)F)nc1)c1ccccc1 ZINC000156637770 672248690 /nfs/dbraw/zinc/24/86/90/672248690.db2.gz LWUULUAXRZRIHO-LBPRGKRZSA-N -1 1 352.316 2.450 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1c(F)c(F)c(F)c(F)c1F ZINC000157281983 672257232 /nfs/dbraw/zinc/25/72/32/672257232.db2.gz JELMAKNDCRIUCL-QMMMGPOBSA-N -1 1 370.343 2.145 20 0 FEADMM COc1ccc(NCC(=O)N[N-]C(=O)c2cc(Cl)ncc2Cl)cc1 ZINC000161370806 672297051 /nfs/dbraw/zinc/29/70/51/672297051.db2.gz SDZMKCQPXDDCAZ-UHFFFAOYSA-N -1 1 369.208 2.270 20 0 FEADMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178791371 672395336 /nfs/dbraw/zinc/39/53/36/672395336.db2.gz KCZZWXUZGNTOMS-YUMQZZPRSA-N -1 1 371.684 2.183 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C(=O)OC)c1ccco1 ZINC000611024757 676012394 /nfs/dbraw/zinc/01/23/94/676012394.db2.gz XYIBROYPOQDLJF-LBPRGKRZSA-N -1 1 353.396 2.041 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc1 ZINC000678720247 672439197 /nfs/dbraw/zinc/43/91/97/672439197.db2.gz LBDPQGYXHDVTRQ-UHFFFAOYSA-N -1 1 362.436 2.185 20 0 FEADMM CS(=O)(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000678964541 672457048 /nfs/dbraw/zinc/45/70/48/672457048.db2.gz LFBONKRXPVRAAO-UHFFFAOYSA-N -1 1 351.346 2.060 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cccc(Cl)c2-n2cccn2)n[nH]1 ZINC000184160720 672491873 /nfs/dbraw/zinc/49/18/73/672491873.db2.gz LPVBOFJOXABAMZ-UHFFFAOYSA-N -1 1 359.777 2.024 20 0 FEADMM Cc1nnc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000679505760 672503006 /nfs/dbraw/zinc/50/30/06/672503006.db2.gz KYQKISNZQPXEFO-UHFFFAOYSA-N -1 1 360.439 2.357 20 0 FEADMM CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000184898422 672510557 /nfs/dbraw/zinc/51/05/57/672510557.db2.gz CVIQGBQEKCDYFC-SNAWJCMRSA-N -1 1 362.398 2.324 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]Nc2c(F)cccc2Cl)oc1C ZINC000185341854 672526104 /nfs/dbraw/zinc/52/61/04/672526104.db2.gz HXGZBQSVALEDAD-UHFFFAOYSA-N -1 1 362.766 2.473 20 0 FEADMM Cc1nc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)n(C)n1 ZINC000185839215 672535890 /nfs/dbraw/zinc/53/58/90/672535890.db2.gz LWALNQRHSQLGDE-BQYQJAHWSA-N -1 1 357.233 2.299 20 0 FEADMM CCCCC[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC ZINC000185916802 672537440 /nfs/dbraw/zinc/53/74/40/672537440.db2.gz QMPXGUIMPDFHOM-ZDUSSCGKSA-N -1 1 354.428 2.369 20 0 FEADMM COC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000186152654 672542093 /nfs/dbraw/zinc/54/20/93/672542093.db2.gz MPZSOCYEZCLKJE-SNVBAGLBSA-N -1 1 362.398 2.110 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2nn(C)c3ccccc23)c(F)c1 ZINC000680540568 672585997 /nfs/dbraw/zinc/58/59/97/672585997.db2.gz TYEVECFORIRLJX-UHFFFAOYSA-N -1 1 367.377 2.339 20 0 FEADMM N#Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1[O-] ZINC000188660240 672595527 /nfs/dbraw/zinc/59/55/27/672595527.db2.gz GSFJHDZSHZNVPX-HOCLYGCPSA-N -1 1 358.419 2.290 20 0 FEADMM Cc1ccc(C(=O)[N-]NC(=O)NCc2ccccc2)c(Br)n1 ZINC000189088946 672607450 /nfs/dbraw/zinc/60/74/50/672607450.db2.gz MTNNQFPNYIZQAV-UHFFFAOYSA-N -1 1 363.215 2.297 20 0 FEADMM COC(=O)[C@H](COC(C)C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000611464807 676038759 /nfs/dbraw/zinc/03/87/59/676038759.db2.gz GFFAAHQXGLUFFI-LBPRGKRZSA-N -1 1 363.332 2.450 20 0 FEADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681016375 672621787 /nfs/dbraw/zinc/62/17/87/672621787.db2.gz TUVYQIMHKDZCOT-JTQLQIEISA-N -1 1 352.387 2.012 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc3cc4c(cc3s2)OCCO4)on1 ZINC000611486143 676040081 /nfs/dbraw/zinc/04/00/81/676040081.db2.gz ONVWJWOPXAOJMW-UHFFFAOYSA-N -1 1 361.335 2.094 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2cccc(C)c2Br)n1 ZINC000190507804 672642430 /nfs/dbraw/zinc/64/24/30/672642430.db2.gz LHYMVEXGYIUETJ-UHFFFAOYSA-N -1 1 366.219 2.382 20 0 FEADMM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1=O ZINC000192853169 672704314 /nfs/dbraw/zinc/70/43/14/672704314.db2.gz MSGDJCQWLWBARL-MRVPVSSYSA-N -1 1 370.780 2.258 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCC(=O)N4)ccc2O1 ZINC000592003658 672732240 /nfs/dbraw/zinc/73/22/40/672732240.db2.gz PXGBWDSEEGZDBD-SNVBAGLBSA-N -1 1 360.391 2.142 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000194119005 672748112 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355.419 2.339 20 0 FEADMM COCCOCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740923990 673661466 /nfs/dbraw/zinc/66/14/66/673661466.db2.gz SHSMHCZHCSYYPU-UHFFFAOYSA-N -1 1 354.403 2.132 20 0 FEADMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OCC ZINC000599367316 673664688 /nfs/dbraw/zinc/66/46/88/673664688.db2.gz FYWONGCAFFKMRD-NSHDSACASA-N -1 1 365.398 2.235 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cccc3c2OCO3)cc1C(=O)[O-] ZINC000543871515 673675692 /nfs/dbraw/zinc/67/56/92/673675692.db2.gz PTHZYPZNGMCWRG-UHFFFAOYSA-N -1 1 365.363 2.313 20 0 FEADMM COCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000544103970 673689992 /nfs/dbraw/zinc/68/99/92/673689992.db2.gz DFWSASGSRQIKOO-GFCCVEGCSA-N -1 1 370.254 2.163 20 0 FEADMM Cc1nonc1C[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000742326644 673722632 /nfs/dbraw/zinc/72/26/32/673722632.db2.gz XGNQQWVMUBGTPT-UHFFFAOYSA-N -1 1 353.734 2.111 20 0 FEADMM O=C(Nc1ccc(Br)c(Cl)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000544784444 673732736 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Cc1cc(O)cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000629330350 676847364 /nfs/dbraw/zinc/84/73/64/676847364.db2.gz CIACDRQJZJWDNR-UHFFFAOYSA-N -1 1 358.419 2.337 20 0 FEADMM Cc1nn(C)c(N2CCC2)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000629353858 676851227 /nfs/dbraw/zinc/85/12/27/676851227.db2.gz VXEZFQOLMGRLQJ-UHFFFAOYSA-N -1 1 356.398 2.159 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000630217704 676887627 /nfs/dbraw/zinc/88/76/27/676887627.db2.gz AIRINIKBMAFUHS-YNEHKIRRSA-N -1 1 350.381 2.363 20 0 FEADMM Cc1cc(Br)ccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224989 676888231 /nfs/dbraw/zinc/88/82/31/676888231.db2.gz RLLDXUSGILLTKJ-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630224729 676888297 /nfs/dbraw/zinc/88/82/97/676888297.db2.gz UBPSKOXQAVJYMK-GFCCVEGCSA-N -1 1 354.834 2.115 20 0 FEADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)c([O-])c1 ZINC000678432272 679729495 /nfs/dbraw/zinc/72/94/95/679729495.db2.gz GJPRPXYPIVZYSY-XHDPSFHLSA-N -1 1 356.216 2.223 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCN(Cc2cscn2)CC1 ZINC000630815326 676922942 /nfs/dbraw/zinc/92/29/42/676922942.db2.gz XXDZKFYHJYKNKH-UHFFFAOYSA-N -1 1 351.859 2.389 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@H]2C[C@@H](CO)C2)nc1 ZINC000631426368 676944586 /nfs/dbraw/zinc/94/45/86/676944586.db2.gz PBHIOCNBRUECHB-KLPPZKSPSA-N -1 1 369.393 2.343 20 0 FEADMM O=c1[nH]nc(CN=c2nc(-c3cc(F)cc(F)c3)[n-]s2)n1C1CC1 ZINC000631441242 676944739 /nfs/dbraw/zinc/94/47/39/676944739.db2.gz MPEJIQNZZVZBKW-UHFFFAOYSA-N -1 1 350.354 2.149 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000631547355 676947820 /nfs/dbraw/zinc/94/78/20/676947820.db2.gz SKZPCRORGLFSBD-HNNXBMFYSA-N -1 1 350.827 2.349 20 0 FEADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000631722058 676953675 /nfs/dbraw/zinc/95/36/75/676953675.db2.gz YPPATVKOLANGQX-UHFFFAOYSA-N -1 1 350.387 2.143 20 0 FEADMM CC[C@@H](Cc1ccccc1Br)NC(=O)CCc1nn[n-]n1 ZINC000631789744 676957743 /nfs/dbraw/zinc/95/77/43/676957743.db2.gz WXXFOPKRNSNZJJ-NSHDSACASA-N -1 1 352.236 2.032 20 0 FEADMM O=S(=O)([N-]CCOc1ccc(F)cc1F)c1c[nH]nc1C(F)(F)F ZINC000631911748 676963583 /nfs/dbraw/zinc/96/35/83/676963583.db2.gz QCKMRIZYEDPFSL-UHFFFAOYSA-N -1 1 371.287 2.064 20 0 FEADMM COC1(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)CCC1 ZINC000632050046 676973008 /nfs/dbraw/zinc/97/30/08/676973008.db2.gz WCDLHKQWBNIVNY-NSHDSACASA-N -1 1 369.418 2.425 20 0 FEADMM Cc1nocc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000632088642 676975024 /nfs/dbraw/zinc/97/50/24/676975024.db2.gz GLQIGXZVSSUFKW-CQSZACIVSA-N -1 1 366.439 2.185 20 0 FEADMM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2cc(C)ns2)C1 ZINC000632094323 676975316 /nfs/dbraw/zinc/97/53/16/676975316.db2.gz SUIBUWOSRZOTLC-LBPRGKRZSA-N -1 1 353.469 2.017 20 0 FEADMM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1c[nH]nc1C(F)(F)F ZINC000632124227 676977109 /nfs/dbraw/zinc/97/71/09/676977109.db2.gz WEOAKPCHCKMJGG-UHFFFAOYSA-N -1 1 363.365 2.219 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)sn1 ZINC000632255926 676983997 /nfs/dbraw/zinc/98/39/97/676983997.db2.gz HHSQIVBEHSNGOT-KOLCDFICSA-N -1 1 358.407 2.213 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000632271339 676984875 /nfs/dbraw/zinc/98/48/75/676984875.db2.gz PVXMUJMHUXZDFR-GFCCVEGCSA-N -1 1 354.369 2.443 20 0 FEADMM COC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)CCCC1 ZINC000632285618 676985737 /nfs/dbraw/zinc/98/57/37/676985737.db2.gz XNOCPDFIGOJOIW-UHFFFAOYSA-N -1 1 369.418 2.254 20 0 FEADMM C[C@@H](OCc1ccncc1)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000632292647 676986262 /nfs/dbraw/zinc/98/62/62/676986262.db2.gz NXULUHVFFIDTLL-LLVKDONJSA-N -1 1 367.402 2.136 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC(OC)(C(F)(F)F)CC2)c1 ZINC000632467864 676996171 /nfs/dbraw/zinc/99/61/71/676996171.db2.gz HEYWNSARDGYWFK-UHFFFAOYSA-N -1 1 369.361 2.133 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)no1 ZINC000632479406 676996712 /nfs/dbraw/zinc/99/67/12/676996712.db2.gz CHHFYXRVBAEGOB-YFKPBYRVSA-N -1 1 357.260 2.406 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000632522706 676998986 /nfs/dbraw/zinc/99/89/86/676998986.db2.gz NKMLLJPXQWJBMD-LBPRGKRZSA-N -1 1 371.388 2.468 20 0 FEADMM Cn1cc([C@H]2C[C@@H]([N-]S(=O)(=O)c3sccc3Cl)CCO2)cn1 ZINC000632532290 677000173 /nfs/dbraw/zinc/00/01/73/677000173.db2.gz WVELKMOHRPJJOX-CMPLNLGQSA-N -1 1 361.876 2.334 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@H]1CCCCO1)c1c[nH]nc1C(F)(F)F ZINC000632535920 677000653 /nfs/dbraw/zinc/00/06/53/677000653.db2.gz HJWQLICXWHYQEW-MWLCHTKSSA-N -1 1 353.366 2.055 20 0 FEADMM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1=O ZINC000632548539 677001362 /nfs/dbraw/zinc/00/13/62/677001362.db2.gz QOLMOZHSAPHMQX-SNVBAGLBSA-N -1 1 356.350 2.083 20 0 FEADMM O=S(=O)([N-][C@H](C1CCC1)[C@@H]1CCCO1)c1c[nH]nc1C(F)(F)F ZINC000632703740 677011023 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Cn1cc([C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C2(CO)CCC2)cn1 ZINC000633164758 677035016 /nfs/dbraw/zinc/03/50/16/677035016.db2.gz QDYOUCKUDNOCFU-KRWDZBQOSA-N -1 1 363.845 2.342 20 0 FEADMM O=S(=O)([N-]Cc1cccc(OCC(F)F)c1)c1c[nH]nc1Cl ZINC000830348436 677035285 /nfs/dbraw/zinc/03/52/85/677035285.db2.gz GFMYYRDFUGIDML-UHFFFAOYSA-N -1 1 351.762 2.186 20 0 FEADMM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633551218 677054680 /nfs/dbraw/zinc/05/46/80/677054680.db2.gz TUHGQFIMUJCGSC-INIZCTEOSA-N -1 1 358.825 2.288 20 0 FEADMM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1c[nH]nc1Cl ZINC000830744517 677058858 /nfs/dbraw/zinc/05/88/58/677058858.db2.gz AGOFVSCEDOYLOO-UHFFFAOYSA-N -1 1 359.810 2.186 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)[C@H](O)c1c(F)cccc1F ZINC000830751026 677059128 /nfs/dbraw/zinc/05/91/28/677059128.db2.gz SAHIVKQHOOSCKK-CABZTGNLSA-N -1 1 365.789 2.132 20 0 FEADMM C[C@@H]1C(=O)CC[C@H](C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1(C)C ZINC000830807767 677062135 /nfs/dbraw/zinc/06/21/35/677062135.db2.gz QAJCAHQJBVWLDG-UVWXRNBGSA-N -1 1 362.392 2.297 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000830839678 677064261 /nfs/dbraw/zinc/06/42/61/677064261.db2.gz BRIUJYGPROPAPG-MRXNPFEDSA-N -1 1 353.344 2.380 20 0 FEADMM CCc1c(=O)n(CC(C)(C)S(C)(=O)=O)[n-]c1-c1cccc(OC)c1 ZINC000634621087 677078074 /nfs/dbraw/zinc/07/80/74/677078074.db2.gz ZJLJBDRRHLBVRD-AWEZNQCLSA-N -1 1 352.456 2.091 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc2cnccc21)[C@@H]1CCOC1 ZINC000634662545 677079583 /nfs/dbraw/zinc/07/95/83/677079583.db2.gz OOXJGUHXVOIQAZ-ZBFHGGJFSA-N -1 1 350.440 2.336 20 0 FEADMM NC(=O)CCSc1ccccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000634789112 677082317 /nfs/dbraw/zinc/08/23/17/677082317.db2.gz YWQSKUZXCPUOJV-UHFFFAOYSA-N -1 1 372.512 2.213 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000635019551 677087481 /nfs/dbraw/zinc/08/74/81/677087481.db2.gz CORQTRJSWYLHHR-QAPCUYQASA-N -1 1 366.845 2.259 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000635019129 677087490 /nfs/dbraw/zinc/08/74/90/677087490.db2.gz RIJXMWSOWFUQFS-APPDUMDISA-N -1 1 370.833 2.099 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000635019166 677087581 /nfs/dbraw/zinc/08/75/81/677087581.db2.gz SCUSTBMQRXCMLM-OAHLLOKOSA-N -1 1 360.332 2.067 20 0 FEADMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCCc1nn[n-]n1 ZINC000635331735 677095898 /nfs/dbraw/zinc/09/58/98/677095898.db2.gz XQYAWXNXHBQRSP-JTQLQIEISA-N -1 1 352.236 2.032 20 0 FEADMM O=C(CCCc1nn[n-]n1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000635821895 677107476 /nfs/dbraw/zinc/10/74/76/677107476.db2.gz LYOQEJXDNXLEQR-UHFFFAOYSA-N -1 1 354.336 2.039 20 0 FEADMM O=C(CCCc1nn[n-]n1)NC1(Cc2ccccc2Br)CC1 ZINC000635970075 677111156 /nfs/dbraw/zinc/11/11/56/677111156.db2.gz GCQHDENBKULIRZ-UHFFFAOYSA-N -1 1 364.247 2.176 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000636061421 677112803 /nfs/dbraw/zinc/11/28/03/677112803.db2.gz 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/nfs/dbraw/zinc/37/27/92/681372792.db2.gz YCJIYMIZVGDFPU-FDYHWXHSSA-N -1 1 365.396 2.185 20 0 FEADMM CCC1N=NC(=S)N1CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776479541 681394924 /nfs/dbraw/zinc/39/49/24/681394924.db2.gz KWRDJLOGYGKXLS-UHFFFAOYSA-N -1 1 360.361 2.284 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)nc1Cl ZINC000776539648 681401537 /nfs/dbraw/zinc/40/15/37/681401537.db2.gz WMWFTEYFKFPUKC-UHFFFAOYSA-N -1 1 350.183 2.226 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000776562098 681406085 /nfs/dbraw/zinc/40/60/85/681406085.db2.gz AYXWZPBZUYLNEF-OAHLLOKOSA-N -1 1 361.471 2.094 20 0 FEADMM Cn1c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)ccc1-c1ccccc1 ZINC000776563325 681406646 /nfs/dbraw/zinc/40/66/46/681406646.db2.gz IIKHCFHGIBNLKR-HNNXBMFYSA-N -1 1 354.439 2.136 20 0 FEADMM CC(C)(C)c1ncc(C=CC(=O)N2CCSC[C@H]2c2nn[n-]n2)s1 ZINC000776564780 681407034 /nfs/dbraw/zinc/40/70/34/681407034.db2.gz PNXZKTWOMDXIPX-ZWNMCFTASA-N -1 1 364.500 2.284 20 0 FEADMM CC(C)[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1(CO)CCCC1 ZINC000848249374 681501886 /nfs/dbraw/zinc/50/18/86/681501886.db2.gz QYIPIBLJDZHEGB-QWHCGFSZSA-N -1 1 366.424 2.383 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)c1 ZINC000777599803 681508989 /nfs/dbraw/zinc/50/89/89/681508989.db2.gz RPFKBIOTQVUWKH-UHFFFAOYSA-N -1 1 363.395 2.025 20 0 FEADMM O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1c(F)ccc([O-])c1F ZINC000848335837 681520454 /nfs/dbraw/zinc/52/04/54/681520454.db2.gz BQSINZYUNKILRU-MRVPVSSYSA-N -1 1 366.286 2.201 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCc2cccnc21 ZINC000848391221 681533923 /nfs/dbraw/zinc/53/39/23/681533923.db2.gz ABWIPNBIUBCOCL-RAIGVLPGSA-N -1 1 355.360 2.169 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1nc(C2CC2)no1 ZINC000777930383 681545108 /nfs/dbraw/zinc/54/51/08/681545108.db2.gz AKWSMMOFHXTIOT-CQSZACIVSA-N -1 1 365.459 2.229 20 0 FEADMM CCc1nocc1COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000848701289 681606026 /nfs/dbraw/zinc/60/60/26/681606026.db2.gz QNBXOUVNPJZYOI-UHFFFAOYSA-N -1 1 356.400 2.264 20 0 FEADMM CSCC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1nn[n-]n1 ZINC000912860200 685458167 /nfs/dbraw/zinc/45/81/67/685458167.db2.gz KZUUKUPTAVXUSE-KWQFWETISA-N -1 1 373.841 2.370 20 0 FEADMM CSCC[C@H](NC(=O)[C@@H](C)Cn1ccc2ccccc21)c1nn[n-]n1 ZINC000912862344 685461427 /nfs/dbraw/zinc/46/14/27/685461427.db2.gz NFZDADRSCVBJRF-JSGCOSHPSA-N -1 1 358.471 2.401 20 0 FEADMM O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)[N-]OC1CCCCC1 ZINC000779318315 681703237 /nfs/dbraw/zinc/70/32/37/681703237.db2.gz USTBRWOKQYGOOC-UHFFFAOYSA-N -1 1 372.512 2.456 20 0 FEADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000779333439 681705651 /nfs/dbraw/zinc/70/56/51/681705651.db2.gz BBQJLCSVVAGJLB-JTQLQIEISA-N -1 1 368.377 2.041 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000913158468 685473184 /nfs/dbraw/zinc/47/31/84/685473184.db2.gz FJXWMQFXWUCVAS-MFKMUULPSA-N -1 1 356.394 2.334 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C1CCOCC1 ZINC000849419076 681725460 /nfs/dbraw/zinc/72/54/60/681725460.db2.gz KCPAGCMOMSIYPX-SNVBAGLBSA-N -1 1 369.270 2.108 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F)c1ccccc1 ZINC000849458960 681745154 /nfs/dbraw/zinc/74/51/54/681745154.db2.gz HQAPDLQZLDFXST-ZNMIVQPWSA-N -1 1 361.410 2.108 20 0 FEADMM COC(=O)N(C)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000849470296 681751998 /nfs/dbraw/zinc/75/19/98/681751998.db2.gz IZYIRLVCWDTBPB-UHFFFAOYSA-N -1 1 359.206 2.109 20 0 FEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494590 685478692 /nfs/dbraw/zinc/47/86/92/685478692.db2.gz GBHQOGLUDBYOBL-LOWVWBTDSA-N -1 1 368.224 2.210 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494591 685478698 /nfs/dbraw/zinc/47/86/98/685478698.db2.gz GBHQOGLUDBYOBL-NQBHXWOUSA-N -1 1 368.224 2.210 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OC[C@H](OC)[C@H]1CCOC1 ZINC000849704592 681787207 /nfs/dbraw/zinc/78/72/07/681787207.db2.gz ANRJJSYUYKDGKS-BBRMVZONSA-N -1 1 371.455 2.047 20 0 FEADMM O=C(c1cccc(Br)c1[O-])N1CCN(CCCCCO)CC1 ZINC000913692342 685482412 /nfs/dbraw/zinc/48/24/12/685482412.db2.gz IMMFCRGSDHRVSU-UHFFFAOYSA-N -1 1 371.275 2.075 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743746 685483920 /nfs/dbraw/zinc/48/39/20/685483920.db2.gz JSEKAJUFVOETJW-UHFFFAOYSA-N -1 1 350.220 2.290 20 0 FEADMM CCC[C@](C)(NC(=O)NC[C@H](C(CC)CC)N1CCOCC1)C(=O)[O-] ZINC000780393794 681823153 /nfs/dbraw/zinc/82/31/53/681823153.db2.gz APVKOMWGTZPSAV-QAPCUYQASA-N -1 1 357.495 2.066 20 0 FEADMM Cc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(Br)c1 ZINC000913743633 685484013 /nfs/dbraw/zinc/48/40/13/685484013.db2.gz DTPUXTYOTHDVHB-UHFFFAOYSA-N -1 1 350.220 2.290 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000780411901 681825183 /nfs/dbraw/zinc/82/51/83/681825183.db2.gz JLBYRSPWEPKCRX-ZDUSSCGKSA-N -1 1 367.427 2.200 20 0 FEADMM COC1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CCC(F)(F)CC1 ZINC000849967932 681830733 /nfs/dbraw/zinc/83/07/33/681830733.db2.gz PVQLGTJCOBKPCA-UHFFFAOYSA-N -1 1 355.337 2.081 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)Cc2noc3c2CCCC3)CCCCCC1 ZINC000913887933 685487783 /nfs/dbraw/zinc/48/77/83/685487783.db2.gz PLRZPZABHWHDMK-UHFFFAOYSA-N -1 1 370.471 2.239 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc(Cl)nc3)[nH]c21 ZINC000781110534 681902655 /nfs/dbraw/zinc/90/26/55/681902655.db2.gz GTLVZQDPLGUBMG-UHFFFAOYSA-N -1 1 366.786 2.199 20 0 FEADMM CN(C)c1ccc(CNC(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC000914070559 685493206 /nfs/dbraw/zinc/49/32/06/685493206.db2.gz OBJMEMQTHYFSFI-UHFFFAOYSA-N -1 1 350.369 2.173 20 0 FEADMM COC(=O)Cc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c(F)c1 ZINC000781401455 681931101 /nfs/dbraw/zinc/93/11/01/681931101.db2.gz ZOFNDIRGSKMSHV-UHFFFAOYSA-N -1 1 356.375 2.155 20 0 FEADMM COC(=O)Cc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c(F)c1 ZINC000781401455 681931105 /nfs/dbraw/zinc/93/11/05/681931105.db2.gz ZOFNDIRGSKMSHV-UHFFFAOYSA-N -1 1 356.375 2.155 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)Cc2ccsc2Br)CCC1 ZINC000914274858 685502075 /nfs/dbraw/zinc/50/20/75/685502075.db2.gz ZJCBZVIIBYMCST-UHFFFAOYSA-N -1 1 368.274 2.026 20 0 FEADMM Cc1ccccc1C1(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)CC1 ZINC000782648268 682069249 /nfs/dbraw/zinc/06/92/49/682069249.db2.gz CKJRVUZGYRSUJL-UHFFFAOYSA-N -1 1 359.344 2.265 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCn2cnc(C(F)(F)F)c2C1 ZINC000915487724 685515631 /nfs/dbraw/zinc/51/56/31/685515631.db2.gz FQDKPNFVNPVHBG-UHFFFAOYSA-N -1 1 373.360 2.084 20 0 FEADMM O=C(NCCc1c(F)cc([O-])cc1F)NC1CCN(CC(F)F)CC1 ZINC000915446677 685515239 /nfs/dbraw/zinc/51/52/39/685515239.db2.gz QDPLQLZPKBYVFL-UHFFFAOYSA-N -1 1 363.355 2.242 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)o1 ZINC000918353320 685538671 /nfs/dbraw/zinc/53/86/71/685538671.db2.gz JPUWSQFNLVMIOP-UHFFFAOYSA-N -1 1 369.418 2.424 20 0 FEADMM CCc1cccc(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852733781 682329424 /nfs/dbraw/zinc/32/94/24/682329424.db2.gz YZQGYQTXCVHEDG-KGLIPLIRSA-N -1 1 358.360 2.345 20 0 FEADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000852736163 682332147 /nfs/dbraw/zinc/33/21/47/682332147.db2.gz LJFDTFWGMGKCET-RYUDHWBXSA-N -1 1 366.286 2.061 20 0 FEADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cc(F)ccc1F ZINC000852736163 682332150 /nfs/dbraw/zinc/33/21/50/682332150.db2.gz LJFDTFWGMGKCET-RYUDHWBXSA-N -1 1 366.286 2.061 20 0 FEADMM Cc1ccc(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C)c1 ZINC000852737911 682333648 /nfs/dbraw/zinc/33/36/48/682333648.db2.gz VXRGHHJLGUMLNT-KGLIPLIRSA-N -1 1 358.360 2.400 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2cc(Br)nn2C)[n-]c1=O ZINC000788355938 682523444 /nfs/dbraw/zinc/52/34/44/682523444.db2.gz SKPUTPWFZOJQCZ-YVMONPNESA-N -1 1 367.203 2.415 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(CO)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000854468659 682554579 /nfs/dbraw/zinc/55/45/79/682554579.db2.gz IPSFESAQVUZCKQ-MJVIPROJSA-N -1 1 358.360 2.097 20 0 FEADMM O=S(=O)([N-]c1ccccc1-n1cncn1)C1=Cc2ccccc2OC1 ZINC000788741525 682554950 /nfs/dbraw/zinc/55/49/50/682554950.db2.gz JROQABUKPCAOSB-UHFFFAOYSA-N -1 1 354.391 2.443 20 0 FEADMM CON1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000854854889 682601274 /nfs/dbraw/zinc/60/12/74/682601274.db2.gz GVQRNKTYIZRZBN-UHFFFAOYSA-N -1 1 366.215 2.022 20 0 FEADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ncccc1N1CCOCC1 ZINC000789740121 682628338 /nfs/dbraw/zinc/62/83/38/682628338.db2.gz ZPDJVEDUYPTSJH-NTUHNPAUSA-N -1 1 363.414 2.470 20 0 FEADMM CCOc1cc(C(=O)N2CCC3=C(CCC(=O)N3)C2)cc(Cl)c1[O-] ZINC000855158964 682634103 /nfs/dbraw/zinc/63/41/03/682634103.db2.gz NUJXBWRDWFBGGJ-UHFFFAOYSA-N -1 1 350.802 2.454 20 0 FEADMM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790057418 682652745 /nfs/dbraw/zinc/65/27/45/682652745.db2.gz WKGSWGMHEHFXAY-MRVPVSSYSA-N -1 1 359.773 2.074 20 0 FEADMM 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2.414 20 0 FEADMM COc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)c(SC)cc1OC ZINC000904048434 690997722 /nfs/dbraw/zinc/99/77/22/690997722.db2.gz RHPLSUPYHCOAFQ-MRXNPFEDSA-N -1 1 365.455 2.383 20 0 FEADMM CCS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC000905394433 691113174 /nfs/dbraw/zinc/11/31/74/691113174.db2.gz HDDFETQLHNPRAW-KRWDZBQOSA-N -1 1 363.435 2.404 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000906931707 691346967 /nfs/dbraw/zinc/34/69/67/691346967.db2.gz NNQOKETVNHJYMN-HNNXBMFYSA-N -1 1 354.472 2.098 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)CN2CCC(C)CC2)c1C ZINC000907040981 691378028 /nfs/dbraw/zinc/37/80/28/691378028.db2.gz JVZQFQPXXQGNGK-CQSZACIVSA-N -1 1 368.499 2.400 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN1C1CCCC1 ZINC000907063197 691384377 /nfs/dbraw/zinc/38/43/77/691384377.db2.gz RTFPIAOXWDAFMD-CYBMUJFWSA-N -1 1 370.446 2.128 20 0 FEADMM O=C(c1ccc(C2CCOCC2)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907470575 691491289 /nfs/dbraw/zinc/49/12/89/691491289.db2.gz CXHYESPKGCRTEF-OAHLLOKOSA-N -1 1 359.455 2.024 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475920 691495148 /nfs/dbraw/zinc/49/51/48/691495148.db2.gz LYCAXPATTKKAPU-NSHDSACASA-N -1 1 373.360 2.071 20 0 FEADMM CCOc1ccc(C[C@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907480652 691496942 /nfs/dbraw/zinc/49/69/42/691496942.db2.gz PWZPGHRGBQPXKT-SWLSCSKDSA-N -1 1 361.471 2.094 20 0 FEADMM O=C(NCC1CCN(CC(F)(F)F)CC1)c1cnc(C2CC2)[n-]c1=O ZINC000907587458 691523089 /nfs/dbraw/zinc/52/30/89/691523089.db2.gz IAMDHZNTPMJPDY-UHFFFAOYSA-N -1 1 358.364 2.064 20 0 FEADMM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccnn2C)C(=O)OC(C)(C)C)c1 ZINC000907659902 691535057 /nfs/dbraw/zinc/53/50/57/691535057.db2.gz HHJMZLPSUAKDEP-HNNXBMFYSA-N -1 1 365.455 2.090 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)CC2)n1 ZINC000907864165 691573477 /nfs/dbraw/zinc/57/34/77/691573477.db2.gz IFJOKCDDXDAJGM-UHFFFAOYSA-N -1 1 363.317 2.086 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2OC[C@H]1CO)c1cc(F)c(F)cc1F ZINC000907953851 691589220 /nfs/dbraw/zinc/58/92/20/691589220.db2.gz SSCHKDJYLVCGSM-JDNHERCYSA-N -1 1 373.352 2.124 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)[n-]c1=O ZINC000908010835 691597970 /nfs/dbraw/zinc/59/79/70/691597970.db2.gz CPQFVZARPOTEDV-AWEZNQCLSA-N -1 1 363.439 2.333 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)CC23CCC(CC2)C3)[n-]c1=O ZINC000908015256 691598446 /nfs/dbraw/zinc/59/84/46/691598446.db2.gz ATNLOZZHKDZYGC-UIORMTCPSA-N -1 1 367.471 2.238 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2cc(C)cs2)[n-]c1=O ZINC000908017782 691599090 /nfs/dbraw/zinc/59/90/90/691599090.db2.gz YRBUSJGKEJZNFD-JTQLQIEISA-N -1 1 355.441 2.087 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2C)[n-]c1=O ZINC000908017793 691599395 /nfs/dbraw/zinc/59/93/95/691599395.db2.gz YYEIEHHYZRSVIJ-GFCCVEGCSA-N -1 1 367.402 2.164 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)CCCC(C)(F)F)[n-]c1=O ZINC000908018555 691599558 /nfs/dbraw/zinc/59/95/58/691599558.db2.gz JQSFMRBUCRRQPM-SNVBAGLBSA-N -1 1 365.402 2.093 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)CCC(C)(C)C2CC2)[n-]c1=O ZINC000908019096 691600105 /nfs/dbraw/zinc/60/01/05/691600105.db2.gz WERICPFMNRDHJU-ZDUSSCGKSA-N -1 1 369.487 2.484 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1cccs1 ZINC000908746952 691721695 /nfs/dbraw/zinc/72/16/95/691721695.db2.gz LDDAMVDIKBEDBS-RKDXNWHRSA-N -1 1 353.366 2.056 20 0 FEADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000909123771 691781879 /nfs/dbraw/zinc/78/18/79/691781879.db2.gz ZHHDIQUFIMOCPV-CABCVRRESA-N -1 1 371.865 2.074 20 0 FEADMM CN(C)[C@H](CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000909123400 691781974 /nfs/dbraw/zinc/78/19/74/691781974.db2.gz VPYIZJJXLZGMJS-MELADBBJSA-N -1 1 357.813 2.149 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H](CF)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909130632 691782991 /nfs/dbraw/zinc/78/29/91/691782991.db2.gz PRNHXCITIZHJBG-RYUDHWBXSA-N -1 1 365.327 2.030 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000909728051 691849398 /nfs/dbraw/zinc/84/93/98/691849398.db2.gz PJSFHCGQPLOCGB-GOEBONIOSA-N -1 1 366.845 2.037 20 0 FEADMM O=C([O-])[C@H](CC(F)F)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000909777479 691854898 /nfs/dbraw/zinc/85/48/98/691854898.db2.gz DAKGYJCAJWLTCP-QMMMGPOBSA-N -1 1 362.130 2.164 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000909829828 691862566 /nfs/dbraw/zinc/86/25/66/691862566.db2.gz MKUQURSWJMERBQ-GHMZBOCLSA-N -1 1 353.300 2.369 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cc([O-])c(F)cc1F ZINC000909973728 691877597 /nfs/dbraw/zinc/87/75/97/691877597.db2.gz AJGWDEAFYCGHAJ-WHOFXGATSA-N -1 1 371.409 2.335 20 0 FEADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000909976450 691877921 /nfs/dbraw/zinc/87/79/21/691877921.db2.gz ZKXYGJSMXRLCMY-OPRDCNLKSA-N -1 1 352.337 2.173 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000910170975 691896345 /nfs/dbraw/zinc/89/63/45/691896345.db2.gz QBSSRRDILFFVQK-SECBINFHSA-N -1 1 360.241 2.197 20 0 FEADMM O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)c1[n-]cnc1C(=O)c1ccccc1 ZINC000509400623 538948814 /nfs/dbraw/zinc/94/88/14/538948814.db2.gz BQGOCSSXHVKTKH-ZDUSSCGKSA-N -1 1 351.366 2.468 20 0 FEADMM Cc1nnc(NC(=O)c2ccc(I)c([O-])c2)s1 ZINC000230889936 548760838 /nfs/dbraw/zinc/76/08/38/548760838.db2.gz XTYCEOYQZKUVBM-UHFFFAOYSA-N -1 1 361.164 2.409 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCC1=O ZINC000235646067 548765977 /nfs/dbraw/zinc/76/59/77/548765977.db2.gz LHPSTVODTSOXHN-QMMMGPOBSA-N -1 1 359.163 2.048 20 0 FEADMM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549314288 674033218 /nfs/dbraw/zinc/03/32/18/674033218.db2.gz FJVUNPMPHZAABR-MNOVXSKESA-N -1 1 369.409 2.313 20 0 FEADMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@H](C)O1 ZINC000549426490 674041095 /nfs/dbraw/zinc/04/10/95/674041095.db2.gz TWTCVIBBVSZNCN-JGPRNRPPSA-N -1 1 369.409 2.311 20 0 FEADMM CCCNc1nnc(SCC(=O)[N-]C(=O)c2ccc(OC)cc2)s1 ZINC000017886339 539644934 /nfs/dbraw/zinc/64/49/34/539644934.db2.gz IYYCGRJYQYUKHS-UHFFFAOYSA-N -1 1 366.468 2.417 20 0 FEADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1)C1CC1 ZINC000021868817 539687958 /nfs/dbraw/zinc/68/79/58/539687958.db2.gz VJKGWKHCZHWNAY-UHFFFAOYSA-N -1 1 371.418 2.331 20 0 FEADMM COCc1ccccc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000029971480 539871798 /nfs/dbraw/zinc/87/17/98/539871798.db2.gz MYSVTMZPAHTPIU-UHFFFAOYSA-N -1 1 364.423 2.465 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)OCO2 ZINC000031806642 539919303 /nfs/dbraw/zinc/91/93/03/539919303.db2.gz DJJDLUUJJHFSQR-UHFFFAOYSA-N -1 1 352.350 2.120 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c[nH]c2ccccc2c1=O ZINC000031575929 539912434 /nfs/dbraw/zinc/91/24/34/539912434.db2.gz CBHMTCAQZDKEPG-UHFFFAOYSA-N -1 1 366.402 2.098 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1F ZINC000032591062 539944429 /nfs/dbraw/zinc/94/44/29/539944429.db2.gz MNOXNWVHGBUXAF-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000032629034 539944938 /nfs/dbraw/zinc/94/49/38/539944938.db2.gz XBJQJQDVAYNJQT-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM COc1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1[N-]S(C)(=O)=O ZINC000033069744 539966153 /nfs/dbraw/zinc/96/61/53/539966153.db2.gz BVIGBFRPIPSISC-INIZCTEOSA-N -1 1 362.407 2.009 20 0 FEADMM C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000035611154 539984114 /nfs/dbraw/zinc/98/41/14/539984114.db2.gz SCIDOCQXJIMNLC-YFKPBYRVSA-N -1 1 363.060 2.415 20 0 FEADMM O=C(NC[C@@H]1CCOC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000041371365 540018346 /nfs/dbraw/zinc/01/83/46/540018346.db2.gz LWUNYCBCUJXMSI-AWEZNQCLSA-N -1 1 360.435 2.254 20 0 FEADMM Cc1cc(=NC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)[n-]nc1C ZINC000532324603 540153054 /nfs/dbraw/zinc/15/30/54/540153054.db2.gz ALMBCZFWDBIZNP-GOSISDBHSA-N -1 1 368.485 2.204 20 0 FEADMM COC(=O)c1ccc(OCCNC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000533182300 540211584 /nfs/dbraw/zinc/21/15/84/540211584.db2.gz MKDHCDCWZSGTSX-UHFFFAOYSA-N -1 1 361.423 2.313 20 0 FEADMM Cn1nccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047457148 540312228 /nfs/dbraw/zinc/31/22/28/540312228.db2.gz NXWJYMZQRCLFBX-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)ccc2[nH]1 ZINC000050531731 540407502 /nfs/dbraw/zinc/40/75/02/540407502.db2.gz SLILHAVHDYDXSL-UHFFFAOYSA-N -1 1 370.434 2.468 20 0 FEADMM COc1ccc(NC(=O)c2cc(C(C)C)[nH]n2)cc1[N-]S(C)(=O)=O ZINC000052280996 540461120 /nfs/dbraw/zinc/46/11/20/540461120.db2.gz XNDIZJCWZRFBMI-UHFFFAOYSA-N -1 1 352.416 2.166 20 0 FEADMM CCN(CC)C(=O)N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000052638888 540479089 /nfs/dbraw/zinc/47/90/89/540479089.db2.gz RVHBJUGDACMRTC-UHFFFAOYSA-N -1 1 359.426 2.078 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)cc2)o1 ZINC000054633091 540599080 /nfs/dbraw/zinc/59/90/80/540599080.db2.gz JBGRCKAKQLXGDW-UHFFFAOYSA-N -1 1 366.439 2.035 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1S(N)(=O)=O ZINC000055571045 540660233 /nfs/dbraw/zinc/66/02/33/540660233.db2.gz DASHCIGNVAJLCN-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1Cl ZINC000055596534 540662080 /nfs/dbraw/zinc/66/20/80/540662080.db2.gz LCMMMLPIJWNITB-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1F ZINC000055678400 540670294 /nfs/dbraw/zinc/67/02/94/540670294.db2.gz WUMQJTATEYPTNH-UHFFFAOYSA-N -1 1 366.370 2.356 20 0 FEADMM COCc1cccc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000057117354 540768921 /nfs/dbraw/zinc/76/89/21/540768921.db2.gz GZAVPUQPWUTUMT-UHFFFAOYSA-N -1 1 365.407 2.270 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000057784307 540815379 /nfs/dbraw/zinc/81/53/79/540815379.db2.gz TUJKKAIHIYYKGG-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM O=C(CCNC(=O)c1cc(Br)ccc1[O-])Nc1ccncc1 ZINC000060343775 541106420 /nfs/dbraw/zinc/10/64/20/541106420.db2.gz GOWPXBYKZVCCBV-UHFFFAOYSA-N -1 1 364.199 2.308 20 0 FEADMM CNC(=O)C1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000063341281 541165471 /nfs/dbraw/zinc/16/54/71/541165471.db2.gz LGDJTNVXEUIUGW-UHFFFAOYSA-N -1 1 355.232 2.189 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)ccc1OCC(=O)[O-] ZINC000063476561 541169711 /nfs/dbraw/zinc/16/97/11/541169711.db2.gz RMXFBDOCOIEQKA-UHFFFAOYSA-N -1 1 361.379 2.136 20 0 FEADMM O=C(CS(=O)(=O)c1ccc([O-])cc1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000063927390 541191497 /nfs/dbraw/zinc/19/14/97/541191497.db2.gz CAGKDBDRPZJQPZ-UHFFFAOYSA-N -1 1 371.317 2.126 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)c1 ZINC000066586337 541342160 /nfs/dbraw/zinc/34/21/60/541342160.db2.gz NFBVDUUUGKDKTF-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n[n-]c1=S ZINC000066649998 541354986 /nfs/dbraw/zinc/35/49/86/541354986.db2.gz RVLQRILAHXXONY-CQSZACIVSA-N -1 1 373.482 2.186 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1C ZINC000066650041 541355371 /nfs/dbraw/zinc/35/53/71/541355371.db2.gz UBDWTPLRQOGTBB-UHFFFAOYSA-N -1 1 351.432 2.183 20 0 FEADMM CC(C)n1c(CCNC(=O)c2ccc(-n3cnnc3)cc2)n[n-]c1=S ZINC000067074564 541413592 /nfs/dbraw/zinc/41/35/92/541413592.db2.gz UQKFZNWKHDPHRF-UHFFFAOYSA-N -1 1 357.443 2.075 20 0 FEADMM CCn1c(CCNC(=O)C[C@H]2OCCc3ccsc32)n[n-]c1=S ZINC000067076884 541414431 /nfs/dbraw/zinc/41/44/31/541414431.db2.gz IHAJQPNYIISWME-LLVKDONJSA-N -1 1 352.485 2.385 20 0 FEADMM CC(C)c1noc(CCC(=O)NCCc2n[n-]c(=S)n2C2CC2)n1 ZINC000067079515 541414542 /nfs/dbraw/zinc/41/45/42/541414542.db2.gz GDBUAMDYHYBNAP-UHFFFAOYSA-N -1 1 350.448 2.073 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000068391852 541586406 /nfs/dbraw/zinc/58/64/06/541586406.db2.gz JTJWWASDVSZURA-UHFFFAOYSA-N -1 1 361.423 2.108 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000544059849 541708134 /nfs/dbraw/zinc/70/81/34/541708134.db2.gz MFSDHTXTSSFDOY-UHFFFAOYSA-N -1 1 367.365 2.431 20 0 FEADMM O=S(=O)([N-]c1cc(-c2ccncc2)n[nH]1)c1ccc2c(c1)OCCO2 ZINC000072255954 541796788 /nfs/dbraw/zinc/79/67/88/541796788.db2.gz YOVPPWVFMZAZGU-UHFFFAOYSA-N -1 1 358.379 2.044 20 0 FEADMM O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801362261 674124334 /nfs/dbraw/zinc/12/43/34/674124334.db2.gz PLJDEBHVCFOFNQ-GFCCVEGCSA-N -1 1 362.769 2.484 20 0 FEADMM CCCCNC(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359170 674124359 /nfs/dbraw/zinc/12/43/59/674124359.db2.gz VDXLJDYLOFVPRY-UHFFFAOYSA-N -1 1 351.790 2.304 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc2ccn(C)c(=O)c2c1 ZINC000551114894 674124879 /nfs/dbraw/zinc/12/48/79/674124879.db2.gz HNGNVHDGZJQEDC-UHFFFAOYSA-N -1 1 358.419 2.486 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@H](C)CC ZINC000551167412 674127823 /nfs/dbraw/zinc/12/78/23/674127823.db2.gz KCUQGZRSMNUWOM-RISCZKNCSA-N -1 1 360.476 2.369 20 0 FEADMM CO[C@@]1(C)C[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000073269068 541938361 /nfs/dbraw/zinc/93/83/61/541938361.db2.gz DQYTYBIUEAFZKP-QRWLVFNGSA-N -1 1 370.453 2.003 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000073635621 541978867 /nfs/dbraw/zinc/97/88/67/541978867.db2.gz FQJYPEYKEJMWSZ-UHFFFAOYSA-N -1 1 357.391 2.460 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCc2ccccc21 ZINC000074162278 542045514 /nfs/dbraw/zinc/04/55/14/542045514.db2.gz DMBSRMIHOIWWOK-INIZCTEOSA-N -1 1 350.422 2.376 20 0 FEADMM COCCOC[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000075196265 542158482 /nfs/dbraw/zinc/15/84/82/542158482.db2.gz OUXBZHSLNBHVSE-LLVKDONJSA-N -1 1 358.232 2.280 20 0 FEADMM CC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000075223480 542161197 /nfs/dbraw/zinc/16/11/97/542161197.db2.gz QCVJUUDHAQMZEY-SFHVURJKSA-N -1 1 362.451 2.378 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CO)cc1 ZINC000075576872 542189516 /nfs/dbraw/zinc/18/95/16/542189516.db2.gz JFCWHTCSHWGZNG-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM COc1ccc2nc(-c3ccc(OCC(=O)N(C)C)cc3)[n-]c(=O)c2c1 ZINC000076029737 542225899 /nfs/dbraw/zinc/22/58/99/542225899.db2.gz NFDLRXPDUSMLOL-UHFFFAOYSA-N -1 1 353.378 2.066 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc21 ZINC000078001591 542436779 /nfs/dbraw/zinc/43/67/79/542436779.db2.gz SPAFMZFFEQYKTI-UHFFFAOYSA-N -1 1 364.448 2.383 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)o1 ZINC000078670891 542475388 /nfs/dbraw/zinc/47/53/88/542475388.db2.gz JGJXKLBNJNDRMD-CQSZACIVSA-N -1 1 364.423 2.174 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1Cl ZINC000078980530 542492357 /nfs/dbraw/zinc/49/23/57/542492357.db2.gz NFYHHQYKKFBGCL-UHFFFAOYSA-N -1 1 354.815 2.313 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cc(=O)[nH]c4ccccc34)cnc2n1 ZINC000081733299 542674545 /nfs/dbraw/zinc/67/45/45/542674545.db2.gz PBABXJKUZCQAPQ-UHFFFAOYSA-N -1 1 360.373 2.415 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cc(=O)[nH]c3ccccc13)c2=O ZINC000081733299 542674549 /nfs/dbraw/zinc/67/45/49/542674549.db2.gz PBABXJKUZCQAPQ-UHFFFAOYSA-N -1 1 360.373 2.415 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)c(F)c3)ccc2O1 ZINC000084650111 542718130 /nfs/dbraw/zinc/71/81/30/542718130.db2.gz ITHMIIHOXGTHLJ-UHFFFAOYSA-N -1 1 364.398 2.439 20 0 FEADMM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000092269283 542853209 /nfs/dbraw/zinc/85/32/09/542853209.db2.gz WXYFXXUVFTYKQS-UHFFFAOYSA-N -1 1 355.362 2.272 20 0 FEADMM COc1ccc(COCC[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000093022841 542903854 /nfs/dbraw/zinc/90/38/54/542903854.db2.gz ILZWEOKYXWTRSM-UHFFFAOYSA-N -1 1 357.378 2.469 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CO)c2)c1 ZINC000097203299 543007109 /nfs/dbraw/zinc/00/71/09/543007109.db2.gz FJCGDMIBHFCAGT-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000098022662 543018058 /nfs/dbraw/zinc/01/80/58/543018058.db2.gz DZFLEJXWWYFSEB-AWEZNQCLSA-N -1 1 353.378 2.338 20 0 FEADMM CCN(CCO)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000097374739 543011055 /nfs/dbraw/zinc/01/10/55/543011055.db2.gz WADODTUSMXIQDF-UHFFFAOYSA-N -1 1 364.348 2.377 20 0 FEADMM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccc(F)c2F)cc1F ZINC000101570338 543034076 /nfs/dbraw/zinc/03/40/76/543034076.db2.gz RBUIDOSJTCHGEO-UHFFFAOYSA-N -1 1 372.368 2.121 20 0 FEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cccc(F)c2F)C[C@@H](C)O1 ZINC000101569912 543034622 /nfs/dbraw/zinc/03/46/22/543034622.db2.gz GEZJSQNZMPZWTF-VXGBXAGGSA-N -1 1 362.442 2.131 20 0 FEADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cnc(C2CC2)nc1 ZINC000103088440 543091986 /nfs/dbraw/zinc/09/19/86/543091986.db2.gz FLVRUYINGCWZBJ-UHFFFAOYSA-N -1 1 350.382 2.059 20 0 FEADMM COc1ccc([C@@H](C)N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000103941119 543118564 /nfs/dbraw/zinc/11/85/64/543118564.db2.gz UJQXXZWSOJVBIH-CYBMUJFWSA-N -1 1 368.437 2.410 20 0 FEADMM Cc1cc(C)c(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000104855243 543147397 /nfs/dbraw/zinc/14/73/97/543147397.db2.gz FYJWLJGUQUDKFP-UHFFFAOYSA-N -1 1 366.465 2.466 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3-n3ccnn3)ccc2O1 ZINC000106007219 543184403 /nfs/dbraw/zinc/18/44/03/543184403.db2.gz IJGZLXXCEJFJLS-GFCCVEGCSA-N -1 1 356.407 2.392 20 0 FEADMM CCOc1cccc2c1OC[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C2 ZINC000106749339 543244934 /nfs/dbraw/zinc/24/49/34/543244934.db2.gz OENHTEYLKIDCEO-VIFPVBQESA-N -1 1 356.304 2.412 20 0 FEADMM CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592886 543296176 /nfs/dbraw/zinc/29/61/76/543296176.db2.gz NKQDDLJQBBIHHU-GFCCVEGCSA-N -1 1 370.519 2.395 20 0 FEADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000110096632 543348887 /nfs/dbraw/zinc/34/88/87/543348887.db2.gz YJGDPOXQOMRRJL-MRXNPFEDSA-N -1 1 354.472 2.479 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCN(C)c3ccccc32)c(=O)[n-]1 ZINC000110474726 543358753 /nfs/dbraw/zinc/35/87/53/543358753.db2.gz DWBQBZXXALWKIB-UHFFFAOYSA-N -1 1 358.467 2.216 20 0 FEADMM C[C@H](NC(=O)c1cncc([O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000111592679 543408072 /nfs/dbraw/zinc/40/80/72/543408072.db2.gz JDGJNUAHZSTZBZ-ZDUSSCGKSA-N -1 1 354.410 2.144 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000114413041 543514015 /nfs/dbraw/zinc/51/40/15/543514015.db2.gz VVSOFONWJSRHOO-ZIAGYGMSSA-N -1 1 372.375 2.338 20 0 FEADMM CCOc1cccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)n1 ZINC000802641307 674189369 /nfs/dbraw/zinc/18/93/69/674189369.db2.gz YFCLDCDYZDTRDO-UHFFFAOYSA-N -1 1 351.428 2.473 20 0 FEADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123044338 543739417 /nfs/dbraw/zinc/73/94/17/543739417.db2.gz RQZOTKVCECQNMZ-QWHCGFSZSA-N -1 1 356.451 2.429 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1-c1cccc(Cl)c1 ZINC000124353367 543816322 /nfs/dbraw/zinc/81/63/22/543816322.db2.gz KBCHGWKGXODIEN-JTQLQIEISA-N -1 1 359.821 2.223 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1csc(Cc2ccccc2)n1)c1nn[n-]n1 ZINC000124302240 543812538 /nfs/dbraw/zinc/81/25/38/543812538.db2.gz GXLBVJMCWAHZPR-LBPRGKRZSA-N -1 1 356.455 2.052 20 0 FEADMM O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCN(C2CCCC2)CC1 ZINC000124958272 543852974 /nfs/dbraw/zinc/85/29/74/543852974.db2.gz SXSVRFQAWNSPIA-SFHVURJKSA-N -1 1 371.481 2.084 20 0 FEADMM Cc1ccc(C[C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000126806429 543957319 /nfs/dbraw/zinc/95/73/19/543957319.db2.gz QEXAJRCRNMNNDQ-SNVBAGLBSA-N -1 1 358.467 2.299 20 0 FEADMM O=C(COc1cccc(N2CCCC2=O)c1)Nc1nc(-c2ccco2)n[nH]1 ZINC000128096070 544032261 /nfs/dbraw/zinc/03/22/61/544032261.db2.gz ZIUOHNCRYPHAML-UHFFFAOYSA-N -1 1 367.365 2.209 20 0 FEADMM O=C(c1c[nH]c2ccccc2c1=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000127396469 543990282 /nfs/dbraw/zinc/99/02/82/543990282.db2.gz DGNHQSFBAHAOOI-GUYCJALGSA-N -1 1 368.389 2.086 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nn1-c1ccccc1Cl ZINC000128214554 544039423 /nfs/dbraw/zinc/03/94/23/544039423.db2.gz ODSLEFSJLRHJEM-LBPRGKRZSA-N -1 1 371.832 2.367 20 0 FEADMM C[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000129507505 544116218 /nfs/dbraw/zinc/11/62/18/544116218.db2.gz QGJBSJWNPXAFRK-CMPLNLGQSA-N -1 1 364.247 2.472 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)Cc2ccccc2C)co1 ZINC000130060778 544137592 /nfs/dbraw/zinc/13/75/92/544137592.db2.gz NUDYQVRQJGMPNF-UHFFFAOYSA-N -1 1 350.440 2.247 20 0 FEADMM O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131404360 544188864 /nfs/dbraw/zinc/18/88/64/544188864.db2.gz YGQMUQYOMHXXGI-UHFFFAOYSA-N -1 1 362.854 2.454 20 0 FEADMM O=S(=O)([N-]CC1(CO)CCCC1)c1sccc1Br ZINC000135156810 544336204 /nfs/dbraw/zinc/33/62/04/544336204.db2.gz SFAKAYRQLDBWQZ-UHFFFAOYSA-N -1 1 354.291 2.342 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)cc1 ZINC000135406210 544345428 /nfs/dbraw/zinc/34/54/28/544345428.db2.gz MUWRTXKWCNRTEA-UHFFFAOYSA-N -1 1 374.422 2.447 20 0 FEADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000140993817 544410813 /nfs/dbraw/zinc/41/08/13/544410813.db2.gz WIVBYPHQGVMZRB-UHFFFAOYSA-N -1 1 368.842 2.226 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cc(Br)ccc1OC)c1nn[n-]n1 ZINC000136691489 544377049 /nfs/dbraw/zinc/37/70/49/544377049.db2.gz ZVWNLRVXAPOARB-LLVKDONJSA-N -1 1 368.235 2.171 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1nn[n-]n1 ZINC000136722264 544378147 /nfs/dbraw/zinc/37/81/47/544378147.db2.gz JEMKGQKDQQDVJZ-AWEZNQCLSA-N -1 1 358.446 2.133 20 0 FEADMM CC(C)Cc1ccc(CCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000151475090 544546473 /nfs/dbraw/zinc/54/64/73/544546473.db2.gz PKTRWYKXCPMVDS-UHFFFAOYSA-N -1 1 364.471 2.368 20 0 FEADMM CC(C)Cc1ccc(CCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000151475090 544546476 /nfs/dbraw/zinc/54/64/76/544546476.db2.gz PKTRWYKXCPMVDS-UHFFFAOYSA-N -1 1 364.471 2.368 20 0 FEADMM O=S(=O)(Cc1coc(-c2ccc(Br)cc2)n1)c1ncn[n-]1 ZINC000153020625 544724255 /nfs/dbraw/zinc/72/42/55/544724255.db2.gz MKGZMCZCYOOZEX-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM O=S(=O)(Cc1coc(-c2ccc(Br)cc2)n1)c1nc[n-]n1 ZINC000153020625 544724258 /nfs/dbraw/zinc/72/42/58/544724258.db2.gz MKGZMCZCYOOZEX-UHFFFAOYSA-N -1 1 369.200 2.196 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)n[n-]1 ZINC000153108854 544734075 /nfs/dbraw/zinc/73/40/75/544734075.db2.gz JCZQVOMRTOQJOQ-UHFFFAOYSA-N -1 1 356.835 2.050 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)cnc2n1 ZINC000153340494 544763731 /nfs/dbraw/zinc/76/37/31/544763731.db2.gz SZWCCKOUNVVYRN-GFCCVEGCSA-N -1 1 367.384 2.187 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCN(c3ncccc3F)C1)c2=O ZINC000153340494 544763732 /nfs/dbraw/zinc/76/37/32/544763732.db2.gz SZWCCKOUNVVYRN-GFCCVEGCSA-N -1 1 367.384 2.187 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)N1CCOCC1 ZINC000180700389 327698197 /nfs/dbraw/zinc/69/81/97/327698197.db2.gz CGUXRFITHNODTP-AWEZNQCLSA-N -1 1 374.359 2.024 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1-n1cnnn1 ZINC000181084583 327715272 /nfs/dbraw/zinc/71/52/72/327715272.db2.gz HXEWFBPGPXZGMQ-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1C ZINC000182431559 327775175 /nfs/dbraw/zinc/77/51/75/327775175.db2.gz KMUHPPXSQNOTED-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM O=c1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)nc2cc[n-]n21 ZINC000183177421 327805659 /nfs/dbraw/zinc/80/56/59/327805659.db2.gz HJHKPFVWNXEKDC-UHFFFAOYSA-N -1 1 366.347 2.075 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)C[C@H](C)c2nccs2)c(=O)[n-]1 ZINC000185003835 327894550 /nfs/dbraw/zinc/89/45/50/327894550.db2.gz OVJFIHRGBVUXGO-JTQLQIEISA-N -1 1 366.512 2.451 20 0 FEADMM O=S(=O)([N-]CC(F)F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187270212 328012186 /nfs/dbraw/zinc/01/21/86/328012186.db2.gz GZOVCBQHEXYKPY-VIFPVBQESA-N -1 1 355.790 2.299 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(OCc2ccccc2)nc1)c1nn[n-]n1 ZINC000187271539 328012318 /nfs/dbraw/zinc/01/23/18/328012318.db2.gz KHQMIHHQJTWFIA-CYBMUJFWSA-N -1 1 352.398 2.049 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1C ZINC000187887705 328052826 /nfs/dbraw/zinc/05/28/26/328052826.db2.gz MGHCAIINFSWRAF-GXSJLCMTSA-N -1 1 356.216 2.426 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2nc(N)nc(Nc3ccccc3C)n2)n1 ZINC000188109123 328066556 /nfs/dbraw/zinc/06/65/56/328066556.db2.gz JFNJSGBZOMDQPI-UHFFFAOYSA-N -1 1 369.454 2.444 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN[C@H](C)C2)cc1 ZINC000188442903 328087191 /nfs/dbraw/zinc/08/71/91/328087191.db2.gz CNFKLWVCCHPPFX-OAHLLOKOSA-N -1 1 373.478 2.230 20 0 FEADMM CCOc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)cc(Cl)c1[O-] ZINC000188982021 328121533 /nfs/dbraw/zinc/12/15/33/328121533.db2.gz FMHPOMPUCHONAJ-ZDUSSCGKSA-N -1 1 354.834 2.431 20 0 FEADMM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000189827783 328170094 /nfs/dbraw/zinc/17/00/94/328170094.db2.gz DCVOEDDBHYTAGJ-HNNXBMFYSA-N -1 1 355.232 2.286 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000190554140 328215821 /nfs/dbraw/zinc/21/58/21/328215821.db2.gz HUQIWCYGQZJMRM-HXUWFJFHSA-N -1 1 374.485 2.432 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@H]1CCOC1 ZINC000266261549 329205884 /nfs/dbraw/zinc/20/58/84/329205884.db2.gz ZLAXFAYHASGPNN-YUMQZZPRSA-N -1 1 370.215 2.431 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)c1 ZINC000191200626 328253715 /nfs/dbraw/zinc/25/37/15/328253715.db2.gz NRIPKJIVTCABOT-UHFFFAOYSA-N -1 1 351.403 2.245 20 0 FEADMM Cc1csc(=O)n1CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000192708679 328334617 /nfs/dbraw/zinc/33/46/17/328334617.db2.gz MSZFXOVJXCJCOB-UHFFFAOYSA-N -1 1 353.469 2.388 20 0 FEADMM Cc1csc(=O)n1CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192708679 328334619 /nfs/dbraw/zinc/33/46/19/328334619.db2.gz MSZFXOVJXCJCOB-UHFFFAOYSA-N -1 1 353.469 2.388 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)CCC(=O)N3C)[n-]c1=O ZINC000193264223 328365976 /nfs/dbraw/zinc/36/59/76/328365976.db2.gz AHONXNQAOZBCKC-FMIVXFBMSA-N -1 1 367.405 2.416 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)NCCc2ccc(F)cc2)[n-]1 ZINC000193556087 328381575 /nfs/dbraw/zinc/38/15/75/328381575.db2.gz SUSCUTMYUMBNDF-SNVBAGLBSA-N -1 1 351.403 2.175 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)NCCc2ccc(F)cc2)n1 ZINC000193556087 328381576 /nfs/dbraw/zinc/38/15/76/328381576.db2.gz SUSCUTMYUMBNDF-SNVBAGLBSA-N -1 1 351.403 2.175 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c(C)c1 ZINC000194728671 328437063 /nfs/dbraw/zinc/43/70/63/328437063.db2.gz TXUUSHNHKCTVID-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM O=C(NCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000022470319 324398650 /nfs/dbraw/zinc/39/86/50/324398650.db2.gz ABKJQKSOAGXUEO-UHFFFAOYSA-N -1 1 370.796 2.149 20 0 FEADMM Cc1ccccc1CCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000047328024 324631715 /nfs/dbraw/zinc/63/17/15/324631715.db2.gz KOXVETMRIKLGCI-UHFFFAOYSA-N -1 1 362.433 2.350 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(OC(F)F)c3)cc2[nH]1 ZINC000055598429 324781567 /nfs/dbraw/zinc/78/15/67/324781567.db2.gz UZASKXRFZQHZEY-UHFFFAOYSA-N -1 1 355.322 2.258 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000077992063 325027609 /nfs/dbraw/zinc/02/76/09/325027609.db2.gz QXCOXAKMPCUZKM-NSHDSACASA-N -1 1 354.122 2.294 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCN(C)c2ccccc21 ZINC000078150452 325033491 /nfs/dbraw/zinc/03/34/91/325033491.db2.gz WRXIFUYYEIWOHI-UHFFFAOYSA-N -1 1 365.437 2.055 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000078566651 325051604 /nfs/dbraw/zinc/05/16/04/325051604.db2.gz NORSOGYMTXTIDM-KRWDZBQOSA-N -1 1 354.406 2.009 20 0 FEADMM COC(=O)[C@H](C)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000080594139 325136317 /nfs/dbraw/zinc/13/63/17/325136317.db2.gz VEEPUGIVUJXHHD-MLGOLLRUSA-N -1 1 365.389 2.203 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1-n1cccn1 ZINC000081596221 325187666 /nfs/dbraw/zinc/18/76/66/325187666.db2.gz QKCVBWOTAXTOCN-UHFFFAOYSA-N -1 1 365.437 2.492 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000081601553 325188272 /nfs/dbraw/zinc/18/82/72/325188272.db2.gz WZTCAXHWSRRXMB-NSHDSACASA-N -1 1 358.467 2.394 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)o1 ZINC000081793318 325197724 /nfs/dbraw/zinc/19/77/24/325197724.db2.gz WSZGSYVQOVKQIS-ZDUSSCGKSA-N -1 1 363.439 2.285 20 0 FEADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000084521673 325237952 /nfs/dbraw/zinc/23/79/52/325237952.db2.gz JKQDJLNTEOWFAW-UHFFFAOYSA-N -1 1 358.445 2.066 20 0 FEADMM O=S(=O)(Cc1csc(Cc2ccc(Cl)cc2)n1)c1ncn[n-]1 ZINC000086169542 325261764 /nfs/dbraw/zinc/26/17/64/325261764.db2.gz VPVFENXVKIDNAB-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM O=S(=O)(Cc1csc(Cc2ccc(Cl)cc2)n1)c1nc[n-]n1 ZINC000086169542 325261768 /nfs/dbraw/zinc/26/17/68/325261768.db2.gz VPVFENXVKIDNAB-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000091159958 325376008 /nfs/dbraw/zinc/37/60/08/325376008.db2.gz NRUAQPQTKPLWTB-UHFFFAOYSA-N -1 1 362.386 2.255 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1[nH]nc2ccccc21 ZINC000091159958 325376010 /nfs/dbraw/zinc/37/60/10/325376010.db2.gz NRUAQPQTKPLWTB-UHFFFAOYSA-N -1 1 362.386 2.255 20 0 FEADMM Cc1nnc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)n1C1CC1 ZINC000091577075 325388030 /nfs/dbraw/zinc/38/80/30/325388030.db2.gz KWJZOVLCPHRRBH-UHFFFAOYSA-N -1 1 364.475 2.136 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000104836719 325547589 /nfs/dbraw/zinc/54/75/89/325547589.db2.gz QWECWSGDSBACIV-UHFFFAOYSA-N -1 1 374.404 2.278 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1sccc1-n1cccc1 ZINC000114413369 325890055 /nfs/dbraw/zinc/89/00/55/325890055.db2.gz FKMYLACUQBNAOI-UHFFFAOYSA-N -1 1 367.434 2.422 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c1 ZINC000116601443 326026920 /nfs/dbraw/zinc/02/69/20/326026920.db2.gz MUWGTLLQMLCZML-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3cccs3)CC2)o1 ZINC000117856975 326073272 /nfs/dbraw/zinc/07/32/72/326073272.db2.gz NYTCKRBGEOAKRI-UHFFFAOYSA-N -1 1 352.437 2.179 20 0 FEADMM Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnn[n-]3)[C@@H]2c2cccs2)cc1 ZINC000118685542 326097225 /nfs/dbraw/zinc/09/72/25/326097225.db2.gz GHOSNFDHEBKAJW-IUODEOHRSA-N -1 1 368.422 2.303 20 0 FEADMM Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nn[n-]n3)[C@@H]2c2cccs2)cc1 ZINC000118685542 326097229 /nfs/dbraw/zinc/09/72/29/326097229.db2.gz GHOSNFDHEBKAJW-IUODEOHRSA-N -1 1 368.422 2.303 20 0 FEADMM C[C@H]1CN(C2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)CCO1 ZINC000118780546 326102069 /nfs/dbraw/zinc/10/20/69/326102069.db2.gz MRKPQLRDMHTZAT-LBPRGKRZSA-N -1 1 361.467 2.442 20 0 FEADMM C[C@@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)COCc1ccccc1 ZINC000119175389 326134776 /nfs/dbraw/zinc/13/47/76/326134776.db2.gz CJIHFTVRFOGKJW-ZDUSSCGKSA-N -1 1 354.410 2.257 20 0 FEADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2c[n-]c3c(cnn3C)c2=O)s1 ZINC000119445564 326163602 /nfs/dbraw/zinc/16/36/02/326163602.db2.gz DUEKUHIHMJUBND-UHFFFAOYSA-N -1 1 370.438 2.272 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(-c2nccn2C)n[nH]1)NC(=O)C1CCCCC1 ZINC000119723669 326191524 /nfs/dbraw/zinc/19/15/24/326191524.db2.gz AAOIHALEBYWWHW-LBPRGKRZSA-N -1 1 358.446 2.224 20 0 FEADMM O=C(COc1ccc(CCNC(=O)c2c([O-])cccc2F)cc1)NC1CC1 ZINC000120327177 326250078 /nfs/dbraw/zinc/25/00/78/326250078.db2.gz YOQRSTAQSNVXSC-UHFFFAOYSA-N -1 1 372.396 2.161 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1F ZINC000120542545 326266943 /nfs/dbraw/zinc/26/69/43/326266943.db2.gz OXGJVWXBKRXMQF-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM Cc1ccc([C@@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000127364006 326504946 /nfs/dbraw/zinc/50/49/46/326504946.db2.gz WWBFRELNKRLBPR-ZDUSSCGKSA-N -1 1 352.438 2.410 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)co1 ZINC000132784615 326598004 /nfs/dbraw/zinc/59/80/04/326598004.db2.gz KLIIDBAXBJXXOM-ZDUSSCGKSA-N -1 1 350.440 2.166 20 0 FEADMM O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccccc1[O-] ZINC000133041931 326602151 /nfs/dbraw/zinc/60/21/51/326602151.db2.gz JLVHDSUAJNVMSV-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM Cn1cc([C@]2(C)CN(C(=O)c3c([O-])cnc4ccccc43)CCO2)cn1 ZINC000134399367 326625094 /nfs/dbraw/zinc/62/50/94/326625094.db2.gz XWNZYHZNQQXWHW-IBGZPJMESA-N -1 1 352.394 2.062 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)co1 ZINC000151799464 326691413 /nfs/dbraw/zinc/69/14/13/326691413.db2.gz XSTOBVYRNLEGRR-INIZCTEOSA-N -1 1 362.451 2.343 20 0 FEADMM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000154097835 326751066 /nfs/dbraw/zinc/75/10/66/326751066.db2.gz IJAFKAYRIPOCPX-PWSUYJOCSA-N -1 1 355.232 2.319 20 0 FEADMM CCCOC1(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)CCCCC1 ZINC000155113636 326778290 /nfs/dbraw/zinc/77/82/90/326778290.db2.gz ZDOPWNGNUWNNTN-UHFFFAOYSA-N -1 1 358.460 2.047 20 0 FEADMM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000162283671 327021506 /nfs/dbraw/zinc/02/15/06/327021506.db2.gz AFMNHNMZXSQTAD-UHFFFAOYSA-N -1 1 360.377 2.280 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](Cn2ccnn2)C1 ZINC000162681346 327031990 /nfs/dbraw/zinc/03/19/90/327031990.db2.gz ABTLMRHBSJEBOH-LLVKDONJSA-N -1 1 365.231 2.299 20 0 FEADMM Cn1ncnc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000162978370 327039307 /nfs/dbraw/zinc/03/93/07/327039307.db2.gz NKGLWVXYIJOZHN-UHFFFAOYSA-N -1 1 373.319 2.304 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nncn3C)cc2)cc1 ZINC000163008679 327040327 /nfs/dbraw/zinc/04/03/27/327040327.db2.gz HPFMMPRELSKBAG-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000170877438 327104600 /nfs/dbraw/zinc/10/46/00/327104600.db2.gz PILQBNGAZZSGIY-UHFFFAOYSA-N -1 1 363.776 2.178 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000171260071 327128027 /nfs/dbraw/zinc/12/80/27/327128027.db2.gz ZCFJVKUDMSAZMR-UHFFFAOYSA-N -1 1 353.209 2.451 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000171266040 327128653 /nfs/dbraw/zinc/12/86/53/327128653.db2.gz AQZKZBGVAQCWFQ-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000171271402 327129022 /nfs/dbraw/zinc/12/90/22/327129022.db2.gz RHANBTVGVFWWMP-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000171296783 327130266 /nfs/dbraw/zinc/13/02/66/327130266.db2.gz VHLVONRPWBPNDS-GOSISDBHSA-N -1 1 368.433 2.399 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[N@@H+](C)C1CC1 ZINC000173109141 327235757 /nfs/dbraw/zinc/23/57/57/327235757.db2.gz ZXCPNMHFLSUKLT-VIFPVBQESA-N -1 1 365.268 2.349 20 0 FEADMM CCSCC[C@@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000173289089 327247295 /nfs/dbraw/zinc/24/72/95/327247295.db2.gz HCQWQHGGMJMROC-GFCCVEGCSA-N -1 1 360.483 2.331 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c1Cl ZINC000174033509 327302587 /nfs/dbraw/zinc/30/25/87/327302587.db2.gz OJCBLFFSDKMYAY-UHFFFAOYSA-N -1 1 374.797 2.070 20 0 FEADMM CO[C@@]1(C)C[C@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000175213454 327380439 /nfs/dbraw/zinc/38/04/39/327380439.db2.gz CFPSFFQJFDEJES-UGSOOPFHSA-N -1 1 367.515 2.395 20 0 FEADMM O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2cc1[O-] ZINC000175390263 327390198 /nfs/dbraw/zinc/39/01/98/327390198.db2.gz LYIAPOFFDPASAV-AWEZNQCLSA-N -1 1 371.418 2.354 20 0 FEADMM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(I)ccc1[O-] ZINC000249213428 328761255 /nfs/dbraw/zinc/76/12/55/328761255.db2.gz SRPRWGQFHYILSY-NDMJEZRESA-N -1 1 373.190 2.294 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)N(C)Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000263116046 328916828 /nfs/dbraw/zinc/91/68/28/328916828.db2.gz LNMIOQZOLABGMV-NHYWBVRUSA-N -1 1 358.385 2.335 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000263856678 328968805 /nfs/dbraw/zinc/96/88/05/328968805.db2.gz QIXQLDOIZPKRNV-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM CO[C@H]1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000263932478 328976212 /nfs/dbraw/zinc/97/62/12/328976212.db2.gz AYYGMNAMBOCBDH-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1OC ZINC000265199635 329101513 /nfs/dbraw/zinc/10/15/13/329101513.db2.gz CFSYISUQZNARAX-QHCPKHFHSA-N -1 1 369.464 2.383 20 0 FEADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000265246048 329106853 /nfs/dbraw/zinc/10/68/53/329106853.db2.gz KBQJKUNUDMRSRF-HSZRJFAPSA-N -1 1 367.448 2.137 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H](O)CC(C)(C)C ZINC000265687263 329150135 /nfs/dbraw/zinc/15/01/35/329150135.db2.gz VMPWXEWCJLKHIQ-CQSZACIVSA-N -1 1 358.442 2.008 20 0 FEADMM CO[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266074165 329187768 /nfs/dbraw/zinc/18/77/68/329187768.db2.gz CORGSZUUXRJEAT-JKSUJKDBSA-N -1 1 356.426 2.169 20 0 FEADMM CO[C@H](CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000266654540 329246177 /nfs/dbraw/zinc/24/61/77/329246177.db2.gz AUANSGHNLMLJFP-MRXNPFEDSA-N -1 1 358.442 2.272 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCC2)o1 ZINC000266835679 329264470 /nfs/dbraw/zinc/26/44/70/329264470.db2.gz JUUHGHHWXUOSJP-UHFFFAOYSA-N -1 1 356.425 2.189 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCN(c2nccs2)CC1 ZINC000266955551 329276703 /nfs/dbraw/zinc/27/67/03/329276703.db2.gz GFPPQXAIDOZXRC-UHFFFAOYSA-N -1 1 365.484 2.022 20 0 FEADMM CCOC(=O)N1CCC(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000266989499 329280438 /nfs/dbraw/zinc/28/04/38/329280438.db2.gz UNSKTANQPMCGAK-UHFFFAOYSA-N -1 1 364.446 2.139 20 0 FEADMM CCCN(CC(C)(C)O)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000267143550 329295933 /nfs/dbraw/zinc/29/59/33/329295933.db2.gz QQKJOLSEZMPMMG-UHFFFAOYSA-N -1 1 358.442 2.105 20 0 FEADMM CCC[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1nn[n-]n1 ZINC000267701984 329351197 /nfs/dbraw/zinc/35/11/97/329351197.db2.gz QFLMFPIQMQWSFM-HNNXBMFYSA-N -1 1 368.397 2.423 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CN1C1CC1 ZINC000267710591 329351540 /nfs/dbraw/zinc/35/15/40/329351540.db2.gz HZRBYQMMHPEXAS-LURJTMIESA-N -1 1 355.268 2.097 20 0 FEADMM CCC[C@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)c1nn[n-]n1 ZINC000268159189 329391665 /nfs/dbraw/zinc/39/16/65/329391665.db2.gz HTHBTKGMAPPGFK-NSHDSACASA-N -1 1 368.228 2.354 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000268922965 329468723 /nfs/dbraw/zinc/46/87/23/329468723.db2.gz XENKGJMMCFFSAF-KGLIPLIRSA-N -1 1 356.426 2.121 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000270041283 329570418 /nfs/dbraw/zinc/57/04/18/329570418.db2.gz SEXCVHDDJZRENV-HOCLYGCPSA-N -1 1 365.407 2.265 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)co1 ZINC000270070864 329572484 /nfs/dbraw/zinc/57/24/84/329572484.db2.gz XLDQZDFDKREUES-VIFPVBQESA-N -1 1 374.365 2.280 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000271282623 329680114 /nfs/dbraw/zinc/68/01/14/329680114.db2.gz QQQXABSFOFSXSO-ZUZCIYMTSA-N -1 1 371.386 2.260 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)c([O-])c1 ZINC000271472558 329696429 /nfs/dbraw/zinc/69/64/29/329696429.db2.gz USFCSFJDPNYEQF-UHFFFAOYSA-N -1 1 356.422 2.419 20 0 FEADMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272082054 329750708 /nfs/dbraw/zinc/75/07/08/329750708.db2.gz BFHITQBBFUOYRR-NSHDSACASA-N -1 1 353.271 2.464 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc4c(cc3C)OCO4)cc12 ZINC000272591297 329794781 /nfs/dbraw/zinc/79/47/81/329794781.db2.gz CKDJYNONZVXPGY-UHFFFAOYSA-N -1 1 360.395 2.115 20 0 FEADMM CCOc1cc(C(=O)N(C)Cc2nc(CCOC)no2)cc(Cl)c1[O-] ZINC000273831121 329895583 /nfs/dbraw/zinc/89/55/83/329895583.db2.gz HMAXKXDVFLOMOU-UHFFFAOYSA-N -1 1 369.805 2.288 20 0 FEADMM O=S(=O)(CCC1CC1)[N-]c1ccc(I)cn1 ZINC000273914123 329901956 /nfs/dbraw/zinc/90/19/56/329901956.db2.gz DHWUWOLFWZJACM-UHFFFAOYSA-N -1 1 352.197 2.228 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cn1C ZINC000273960792 329905606 /nfs/dbraw/zinc/90/56/06/329905606.db2.gz NXPONGUFXQPFIP-UHFFFAOYSA-N -1 1 365.455 2.377 20 0 FEADMM CCOc1cc(C(=O)NCCN2C(=S)N=NC2C)cc(Cl)c1[O-] ZINC000273967939 329905946 /nfs/dbraw/zinc/90/59/46/329905946.db2.gz QLPDNPRYLPEPMN-UHFFFAOYSA-N -1 1 356.835 2.063 20 0 FEADMM O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000275372394 330041181 /nfs/dbraw/zinc/04/11/81/330041181.db2.gz YWFWMAAWBVUCKR-KYZUINATSA-N -1 1 351.346 2.273 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccc2ccccc2c1 ZINC000276132485 330122450 /nfs/dbraw/zinc/12/24/50/330122450.db2.gz AQQROXAXWCIQAI-OAUYIBNBSA-N -1 1 363.435 2.151 20 0 FEADMM CN(C)C(=O)c1cccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000276379129 330146738 /nfs/dbraw/zinc/14/67/38/330146738.db2.gz SDZHIZQPXYYJGT-UHFFFAOYSA-N -1 1 372.450 2.492 20 0 FEADMM Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2)n1 ZINC000367122584 330219688 /nfs/dbraw/zinc/21/96/88/330219688.db2.gz CVFYFERUNSANNB-QGZVFWFLSA-N -1 1 365.441 2.081 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](N2CCNC2=O)C1 ZINC000367214510 330231077 /nfs/dbraw/zinc/23/10/77/330231077.db2.gz UYLAXZIIYHRHIM-LBPRGKRZSA-N -1 1 374.828 2.224 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)s1 ZINC000367233949 330233994 /nfs/dbraw/zinc/23/39/94/330233994.db2.gz HKNGLXNYEHFTBL-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM CCCCOCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805011850 674312416 /nfs/dbraw/zinc/31/24/16/674312416.db2.gz DIFCSNNSDICGES-AVGNSLFASA-N -1 1 367.412 2.290 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C(C(C)C)C(C)C)c(Br)n1C ZINC000805040841 674314647 /nfs/dbraw/zinc/31/46/47/674314647.db2.gz ASLRQGPPFIIEJV-UHFFFAOYSA-N -1 1 352.298 2.450 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)co1 ZINC000155386936 545520758 /nfs/dbraw/zinc/52/07/58/545520758.db2.gz WKSVJUGYRQMPOU-QLJPJBMISA-N -1 1 366.414 2.380 20 0 FEADMM CCc1ccc(C(C)(C)CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000155438963 545526949 /nfs/dbraw/zinc/52/69/49/545526949.db2.gz RLLNYCGIJCZDSP-UHFFFAOYSA-N -1 1 364.467 2.458 20 0 FEADMM O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155463963 545528905 /nfs/dbraw/zinc/52/89/05/545528905.db2.gz NBEBLLQHEMQOQK-CQSZACIVSA-N -1 1 363.425 2.283 20 0 FEADMM O=C(NCCO)c1ccc(=NCCc2ccc(Cl)cc2Cl)[n-]n1 ZINC000489553966 538823179 /nfs/dbraw/zinc/82/31/79/538823179.db2.gz VKNVRANMSZAJNU-UHFFFAOYSA-N -1 1 355.225 2.160 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000155986598 545589771 /nfs/dbraw/zinc/58/97/71/545589771.db2.gz AMILCCDISGNQSC-SCSAIBSYSA-N -1 1 368.241 2.309 20 0 FEADMM CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1 ZINC000477311555 561141907 /nfs/dbraw/zinc/14/19/07/561141907.db2.gz PZHGPVBPTNPFIZ-CYBMUJFWSA-N -1 1 359.382 2.272 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1O)c1nn[n-]n1 ZINC000156534645 545634199 /nfs/dbraw/zinc/63/41/99/545634199.db2.gz ZAMKBXUMTDQHLB-CYBMUJFWSA-N -1 1 351.410 2.372 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccn(C)n1 ZINC000478658719 561172050 /nfs/dbraw/zinc/17/20/50/561172050.db2.gz MATBVQFYHQCYJC-UHFFFAOYSA-N -1 1 370.434 2.498 20 0 FEADMM Cc1cc2sc(NC(=O)CNC(=O)c3ncccc3[O-])nc2c(C)c1 ZINC000479093358 561181534 /nfs/dbraw/zinc/18/15/34/561181534.db2.gz CYSFMJLJPREBMN-UHFFFAOYSA-N -1 1 356.407 2.382 20 0 FEADMM O=C(NCCc1ncc[nH]1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000171754414 546224265 /nfs/dbraw/zinc/22/42/65/546224265.db2.gz WREODAXJTOBALG-UHFFFAOYSA-N -1 1 370.434 2.183 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)o1 ZINC000479392755 561188886 /nfs/dbraw/zinc/18/88/86/561188886.db2.gz PNVWZHVMUUPRQJ-WCQYABFASA-N -1 1 359.444 2.328 20 0 FEADMM CCc1oc2ccccc2c1CN(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000479463655 561190149 /nfs/dbraw/zinc/19/01/49/561190149.db2.gz BCTISCHKJNVTHP-UHFFFAOYSA-N -1 1 367.405 2.484 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(Cc2ccccc2)CC1 ZINC000175894825 546367419 /nfs/dbraw/zinc/36/74/19/546367419.db2.gz OXJLMTPIAKEUJF-UHFFFAOYSA-N -1 1 350.422 2.279 20 0 FEADMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CCO1 ZINC000480072741 561202489 /nfs/dbraw/zinc/20/24/89/561202489.db2.gz PZHLIIJRHOZAPR-JSGCOSHPSA-N -1 1 359.444 2.328 20 0 FEADMM C[C@H]1CCc2[nH]c3ccc(C(=O)NCCCc4nc(=O)[n-][nH]4)cc3c2C1 ZINC000176267719 546425534 /nfs/dbraw/zinc/42/55/34/546425534.db2.gz ANILORMQCWRSHJ-NSHDSACASA-N -1 1 353.426 2.067 20 0 FEADMM CCC[C@H](NC(=O)CSc1nc2ccccc2n1CC)c1nn[n-]n1 ZINC000176766721 546485253 /nfs/dbraw/zinc/48/52/53/546485253.db2.gz KJSBFDCOLNZJRW-LBPRGKRZSA-N -1 1 359.459 2.319 20 0 FEADMM COc1ccc([C@H](CNC(=O)c2cc(F)ccc2[O-])N2CCOCC2)cc1 ZINC000176953077 546514190 /nfs/dbraw/zinc/51/41/90/546514190.db2.gz FBRRAPMHZLPBBX-SFHVURJKSA-N -1 1 374.412 2.343 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000178144817 546746048 /nfs/dbraw/zinc/74/60/48/546746048.db2.gz KMURZZXHQDCKKS-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178362528 546780446 /nfs/dbraw/zinc/78/04/46/546780446.db2.gz VHRNDZDHZSZENN-HZPDHXFCSA-N -1 1 352.438 2.331 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC1)c1c(Cl)cc(F)cc1Br ZINC000179340899 546934987 /nfs/dbraw/zinc/93/49/87/546934987.db2.gz UEPVXASWIXIWRY-SSDOTTSWSA-N -1 1 358.616 2.309 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)co1 ZINC000179363393 546940055 /nfs/dbraw/zinc/94/00/55/546940055.db2.gz HVRSAHMKKBXIPA-UHFFFAOYSA-N -1 1 374.422 2.054 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000179540196 546974408 /nfs/dbraw/zinc/97/44/08/546974408.db2.gz WCFWWEASHVCVEY-UHFFFAOYSA-N -1 1 359.407 2.092 20 0 FEADMM CO[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000482239230 561251001 /nfs/dbraw/zinc/25/10/01/561251001.db2.gz ZXQQCGIFJXMWKD-MRXNPFEDSA-N -1 1 360.435 2.348 20 0 FEADMM Cc1cn2c(ncc(C(=O)Nc3nnc(-c4ccc(C)cc4)[n-]3)c2=O)s1 ZINC000179839887 547019905 /nfs/dbraw/zinc/01/99/05/547019905.db2.gz ZPZGSSRTWYZEBE-UHFFFAOYSA-N -1 1 366.406 2.410 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)cc1 ZINC000179845780 547020564 /nfs/dbraw/zinc/02/05/64/547020564.db2.gz ZOIZCVQIUCLDCO-UHFFFAOYSA-N -1 1 372.443 2.397 20 0 FEADMM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000179869745 547023040 /nfs/dbraw/zinc/02/30/40/547023040.db2.gz SQMGCIJVNKPHJU-CQSZACIVSA-N -1 1 360.385 2.213 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CC1 ZINC000179920694 547029222 /nfs/dbraw/zinc/02/92/22/547029222.db2.gz OOKGDMCAGOVOSR-UHFFFAOYSA-N -1 1 371.673 2.451 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1F ZINC000180018324 547039225 /nfs/dbraw/zinc/03/92/25/547039225.db2.gz KOSFCJXEDBNVSM-UHFFFAOYSA-N -1 1 372.805 2.452 20 0 FEADMM COC(=O)c1cccc2[nH]c([N-]S(=O)(=O)Cc3cccc(F)c3)nc21 ZINC000180307132 547082600 /nfs/dbraw/zinc/08/26/00/547082600.db2.gz KFVIGNWCDMJLGT-UHFFFAOYSA-N -1 1 363.370 2.431 20 0 FEADMM CS(=O)(=O)C1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180590650 547138010 /nfs/dbraw/zinc/13/80/10/547138010.db2.gz UGFHXTGUMXLLRK-UHFFFAOYSA-N -1 1 365.373 2.497 20 0 FEADMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000180831026 547187353 /nfs/dbraw/zinc/18/73/53/547187353.db2.gz DYYADHIZUQQQRN-UHFFFAOYSA-N -1 1 370.427 2.220 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000180967856 547222447 /nfs/dbraw/zinc/22/24/47/547222447.db2.gz GSAXXWGSPOTAEO-GOSISDBHSA-N -1 1 363.417 2.336 20 0 FEADMM CCc1cccc2c(CC(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c[nH]c21 ZINC000181028664 547233365 /nfs/dbraw/zinc/23/33/65/547233365.db2.gz LYTQMBQKVRLHKS-UHFFFAOYSA-N -1 1 373.434 2.265 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000181668287 547356825 /nfs/dbraw/zinc/35/68/25/547356825.db2.gz MHAQASQMYVLTJU-UHFFFAOYSA-N -1 1 370.377 2.491 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000182032219 547425337 /nfs/dbraw/zinc/42/53/37/547425337.db2.gz JGSDKQQZNXKTMZ-NSHDSACASA-N -1 1 363.357 2.203 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183081576 547597618 /nfs/dbraw/zinc/59/76/18/547597618.db2.gz GWMATLAAUYKUDL-OAHLLOKOSA-N -1 1 370.453 2.145 20 0 FEADMM CCOc1c(Cl)cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1OC ZINC000183402469 547651900 /nfs/dbraw/zinc/65/19/00/547651900.db2.gz LFVQTOZZMHNPMH-VIFPVBQESA-N -1 1 353.810 2.136 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000484489615 561298545 /nfs/dbraw/zinc/29/85/45/561298545.db2.gz NZEDDYYWJMMFEN-UHFFFAOYSA-N -1 1 353.352 2.128 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nncn2C)cc1 ZINC000484571085 561300366 /nfs/dbraw/zinc/30/03/66/561300366.db2.gz MPAJYTXGEMBHEQ-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM Cc1nc(C)c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)nc1C ZINC000185020677 547919317 /nfs/dbraw/zinc/91/93/17/547919317.db2.gz UZIQOEYJVZUARW-UHFFFAOYSA-N -1 1 352.391 2.165 20 0 FEADMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000185266368 547962432 /nfs/dbraw/zinc/96/24/32/547962432.db2.gz ZJUJSULZWRSANU-UFUPEUMYSA-N -1 1 370.215 2.333 20 0 FEADMM O=S(=O)([N-]Cc1nc(-c2ccncc2)no1)c1c(F)cccc1Cl ZINC000185424215 547982802 /nfs/dbraw/zinc/98/28/02/547982802.db2.gz BQLAVESBXZZCLP-UHFFFAOYSA-N -1 1 368.777 2.403 20 0 FEADMM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)C2)cn1 ZINC000185766599 548032587 /nfs/dbraw/zinc/03/25/87/548032587.db2.gz DIDTZSDHODWOLI-NSHDSACASA-N -1 1 372.853 2.160 20 0 FEADMM COc1cc2nc(C)sc2cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485845978 561329710 /nfs/dbraw/zinc/32/97/10/561329710.db2.gz LDWKRSKJPNCLCB-UHFFFAOYSA-N -1 1 372.406 2.082 20 0 FEADMM CCOc1cc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc(Cl)c1[O-] ZINC000186784952 548192954 /nfs/dbraw/zinc/19/29/54/548192954.db2.gz GDIQTDQZOLHANG-VXGBXAGGSA-N -1 1 356.850 2.283 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Oc2ccccc2)nc1 ZINC000486097779 561337970 /nfs/dbraw/zinc/33/79/70/561337970.db2.gz QVNFIUYGUHGOSR-UHFFFAOYSA-N -1 1 364.361 2.343 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000187054914 548249183 /nfs/dbraw/zinc/24/91/83/548249183.db2.gz VBSZVRNFAXLWSL-UHFFFAOYSA-N -1 1 367.402 2.199 20 0 FEADMM O=C(NCc1ccc(OCCO)cc1)c1ccc(Br)c([O-])c1 ZINC000486204631 561341115 /nfs/dbraw/zinc/34/11/15/561341115.db2.gz CQENDQOXXQGIFK-UHFFFAOYSA-N -1 1 366.211 2.456 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000529407505 562372786 /nfs/dbraw/zinc/37/27/86/562372786.db2.gz KUOKTRUUTBRJCB-NWDGAFQWSA-N -1 1 352.437 2.104 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2ccnn2)c1)c1ccc2c(c1)OCCCO2 ZINC000486518194 561349667 /nfs/dbraw/zinc/34/96/67/561349667.db2.gz NPLZDQAESVFFNP-UHFFFAOYSA-N -1 1 372.406 2.229 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)ccc1C ZINC000486519479 561349687 /nfs/dbraw/zinc/34/96/87/561349687.db2.gz NHHURBRVJHSXNC-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)o1 ZINC000194529527 548494427 /nfs/dbraw/zinc/49/44/27/548494427.db2.gz QDYIGYXZBLNPCH-UHFFFAOYSA-N -1 1 362.411 2.371 20 0 FEADMM Cc1nc(SCCC(=O)Nc2nc(Br)ccc2[O-])n[nH]1 ZINC000194572482 548500818 /nfs/dbraw/zinc/50/08/18/548500818.db2.gz BCIBWHYOXIKRRH-UHFFFAOYSA-N -1 1 358.221 2.097 20 0 FEADMM Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)CC2 ZINC000486799560 561357041 /nfs/dbraw/zinc/35/70/41/561357041.db2.gz WFSQCZTYNQQGIU-SNVBAGLBSA-N -1 1 365.231 2.047 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195126145 548580388 /nfs/dbraw/zinc/58/03/88/548580388.db2.gz OOMQHFOPHAXBSM-JTQLQIEISA-N -1 1 368.434 2.078 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195126145 548580391 /nfs/dbraw/zinc/58/03/91/548580391.db2.gz OOMQHFOPHAXBSM-JTQLQIEISA-N -1 1 368.434 2.078 20 0 FEADMM Cc1ccccc1-c1nc(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)no1 ZINC000195175039 548589756 /nfs/dbraw/zinc/58/97/56/548589756.db2.gz UMLQPSNTCSADKG-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccccc1-c1nc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)no1 ZINC000195175039 548589760 /nfs/dbraw/zinc/58/97/60/548589760.db2.gz UMLQPSNTCSADKG-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccccc1-c1nc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)no1 ZINC000195175039 548589764 /nfs/dbraw/zinc/58/97/64/548589764.db2.gz UMLQPSNTCSADKG-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM COc1ccc(-c2nnc(S(=O)(=O)CC3CCCC3)[n-]2)c(OC)c1 ZINC000195188234 548593052 /nfs/dbraw/zinc/59/30/52/548593052.db2.gz QAALNJSPRYCZJD-UHFFFAOYSA-N -1 1 351.428 2.453 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CC3CCCC3)n[n-]2)c(OC)c1 ZINC000195188234 548593057 /nfs/dbraw/zinc/59/30/57/548593057.db2.gz QAALNJSPRYCZJD-UHFFFAOYSA-N -1 1 351.428 2.453 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1NC(N)=O ZINC000487398346 561369076 /nfs/dbraw/zinc/36/90/76/561369076.db2.gz JWHHRYTVQFJNHI-UHFFFAOYSA-N -1 1 357.338 2.265 20 0 FEADMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000228077260 548753152 /nfs/dbraw/zinc/75/31/52/548753152.db2.gz ORDCZCRPDWGLLO-JVXZTZIISA-N -1 1 374.673 2.465 20 0 FEADMM C[C@@H]1C[C@H](O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487425258 561369701 /nfs/dbraw/zinc/36/97/01/561369701.db2.gz FPBGHZCWJNGYML-BDAKNGLRSA-N -1 1 351.200 2.298 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000243885720 548889063 /nfs/dbraw/zinc/88/90/63/548889063.db2.gz ROPCLQPNVJQQOR-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n[nH]1 ZINC000489206440 561405684 /nfs/dbraw/zinc/40/56/84/561405684.db2.gz PHSRRAYNCAKOKF-ZJUUUORDSA-N -1 1 356.386 2.153 20 0 FEADMM CC(C)CN(Cc1ccccc1F)C(=O)CNC(=O)c1ncccc1[O-] ZINC000489350814 561408772 /nfs/dbraw/zinc/40/87/72/561408772.db2.gz ABCIXMSZUIAIQM-UHFFFAOYSA-N -1 1 359.401 2.341 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489731242 561417964 /nfs/dbraw/zinc/41/79/64/561417964.db2.gz AQUBZQZQVWLRCH-UHFFFAOYSA-N -1 1 366.370 2.307 20 0 FEADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000490013195 561424571 /nfs/dbraw/zinc/42/45/71/561424571.db2.gz ZYKYXFNVUGGWMF-GTNSWQLSSA-N -1 1 357.385 2.096 20 0 FEADMM CC(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)CCN1C ZINC000490296492 561430346 /nfs/dbraw/zinc/43/03/46/561430346.db2.gz FXCKRUHRCUDDCJ-OAHLLOKOSA-N -1 1 373.906 2.124 20 0 FEADMM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2cccc(F)c2F)c1=O ZINC000490299699 561430513 /nfs/dbraw/zinc/43/05/13/561430513.db2.gz NPPDEPHARMVXRH-UHFFFAOYSA-N -1 1 364.373 2.295 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000490331046 561431090 /nfs/dbraw/zinc/43/10/90/561431090.db2.gz PVTZLVYPAVDFGQ-GHMZBOCLSA-N -1 1 359.348 2.002 20 0 FEADMM Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263185630 549884137 /nfs/dbraw/zinc/88/41/37/549884137.db2.gz UTMJGBUEQPXGRG-QGZVFWFLSA-N -1 1 362.470 2.375 20 0 FEADMM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccn1)N1CCc2ccccc2C1 ZINC000263425472 549900748 /nfs/dbraw/zinc/90/07/48/549900748.db2.gz RAGZUTKJXDXTRE-UHFFFAOYSA-N -1 1 353.422 2.347 20 0 FEADMM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000263800734 549939148 /nfs/dbraw/zinc/93/91/48/549939148.db2.gz JVKFLVVYGOVCQO-SSDOTTSWSA-N -1 1 357.657 2.201 20 0 FEADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000263866460 549948105 /nfs/dbraw/zinc/94/81/05/549948105.db2.gz VZWBOICCOFSKSA-UHFFFAOYSA-N -1 1 370.862 2.355 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000268520468 550081196 /nfs/dbraw/zinc/08/11/96/550081196.db2.gz ZXYPJPOFMMZRQQ-UHFFFAOYSA-N -1 1 350.400 2.055 20 0 FEADMM CCOC(=O)COc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1OC ZINC000491815531 561447629 /nfs/dbraw/zinc/44/76/29/561447629.db2.gz NJNCUHRBJVKRCQ-UHFFFAOYSA-N -1 1 355.350 2.348 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1 ZINC000268996393 550142404 /nfs/dbraw/zinc/14/24/04/550142404.db2.gz WPJCMIDYEOEBKE-QHCPKHFHSA-N -1 1 369.464 2.383 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)no1 ZINC000269010861 550143782 /nfs/dbraw/zinc/14/37/82/550143782.db2.gz VCMORWJANUXFBC-HNNXBMFYSA-N -1 1 366.439 2.485 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)c1ccco1 ZINC000269847638 550230215 /nfs/dbraw/zinc/23/02/15/550230215.db2.gz DQRZFGHXNPBMJZ-LBPRGKRZSA-N -1 1 373.814 2.386 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)c1ccc(C)o1 ZINC000269862719 550231579 /nfs/dbraw/zinc/23/15/79/550231579.db2.gz SJRNDHPKLYVGPT-GFCCVEGCSA-N -1 1 371.386 2.180 20 0 FEADMM CCCc1cc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n(C)n1 ZINC000271369138 550369223 /nfs/dbraw/zinc/36/92/23/550369223.db2.gz HOQFBYPVRMOKRD-UHFFFAOYSA-N -1 1 366.425 2.420 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000272015011 550416095 /nfs/dbraw/zinc/41/60/95/550416095.db2.gz DPRKUSYKNPGJFZ-DTWKUNHWSA-N -1 1 366.361 2.347 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000272479962 550451745 /nfs/dbraw/zinc/45/17/45/550451745.db2.gz MZDLSQNNQRQJRF-NVXWUHKLSA-N -1 1 370.453 2.105 20 0 FEADMM COC1(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCC1 ZINC000273019133 550481211 /nfs/dbraw/zinc/48/12/11/550481211.db2.gz RBTDLJNKJULWSM-UHFFFAOYSA-N -1 1 356.426 2.171 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000273261089 550491877 /nfs/dbraw/zinc/49/18/77/550491877.db2.gz ZIJDBKBRPYOZLC-UKRRQHHQSA-N -1 1 370.453 2.417 20 0 FEADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000273381479 550496421 /nfs/dbraw/zinc/49/64/21/550496421.db2.gz CBWHVUKGIVWKGF-UHFFFAOYSA-N -1 1 355.460 2.406 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000273800902 550511881 /nfs/dbraw/zinc/51/18/81/550511881.db2.gz SPRHSDQPCOQISF-XPTSAGLGSA-N -1 1 372.874 2.108 20 0 FEADMM CC[C@]1(C)Oc2ccc(NC(=O)c3coc(S(=O)(=O)[N-]C)c3)cc2O1 ZINC000276909580 550610035 /nfs/dbraw/zinc/61/00/35/550610035.db2.gz KMVVQLUKPCOHPH-MRXNPFEDSA-N -1 1 366.395 2.337 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1 ZINC000277126208 550635022 /nfs/dbraw/zinc/63/50/22/550635022.db2.gz TYXHDFRABGLTOT-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM COc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1CO ZINC000494814562 561477026 /nfs/dbraw/zinc/47/70/26/561477026.db2.gz WMTZHDIYZMWVOA-UHFFFAOYSA-N -1 1 363.439 2.285 20 0 FEADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)n[nH]1 ZINC000277711769 550705166 /nfs/dbraw/zinc/70/51/66/550705166.db2.gz FEOXPKKQMJIZDS-WDEREUQCSA-N -1 1 365.459 2.181 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(C)ccc3F)CC2)n1 ZINC000277876033 550724216 /nfs/dbraw/zinc/72/42/16/550724216.db2.gz YUNZJGDUYSKMPP-UHFFFAOYSA-N -1 1 360.389 2.449 20 0 FEADMM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2nc(Cl)ccc2[O-])no1 ZINC000278734492 550816358 /nfs/dbraw/zinc/81/63/58/550816358.db2.gz VKGIXEPVDSRJNN-QMMMGPOBSA-N -1 1 370.818 2.436 20 0 FEADMM O=C(NCCOc1ncccc1F)c1ccc(Br)c([O-])c1 ZINC000495274316 561485982 /nfs/dbraw/zinc/48/59/82/561485982.db2.gz SQPGAAYEPRXDKU-UHFFFAOYSA-N -1 1 355.163 2.498 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000279726152 550922022 /nfs/dbraw/zinc/92/20/22/550922022.db2.gz IVOYAIXEYRDCDG-INIZCTEOSA-N -1 1 370.453 2.369 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccnc1-2 ZINC000279875140 550938460 /nfs/dbraw/zinc/93/84/60/550938460.db2.gz SZZZHDKBWUJFDE-XQEBGNCTSA-N -1 1 352.394 2.152 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000280197123 550969984 /nfs/dbraw/zinc/96/99/84/550969984.db2.gz WECAPHYKPHKTMG-PXAZEXFGSA-N -1 1 368.437 2.121 20 0 FEADMM CN(C)C(=O)CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280515036 551002739 /nfs/dbraw/zinc/00/27/39/551002739.db2.gz FFSBIDRSGYDQOB-UHFFFAOYSA-N -1 1 357.234 2.279 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000496550608 561494433 /nfs/dbraw/zinc/49/44/33/561494433.db2.gz GDRBSBSUKFOAPK-NSHDSACASA-N -1 1 365.459 2.181 20 0 FEADMM O=C(COCc1ccccc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281585534 551116687 /nfs/dbraw/zinc/11/66/87/551116687.db2.gz BWHMVMZEELWQHC-UHFFFAOYSA-N -1 1 358.360 2.120 20 0 FEADMM C[C@@H](c1nnc(SCc2nn[n-]n2)n1-c1ccc(Cl)cc1)N(C)C ZINC000497201959 561497751 /nfs/dbraw/zinc/49/77/51/561497751.db2.gz XICAHISTBKOBCW-VIFPVBQESA-N -1 1 364.866 2.349 20 0 FEADMM Cn1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C(C)(C)C)n1 ZINC000281837208 551146097 /nfs/dbraw/zinc/14/60/97/551146097.db2.gz WURQWMYPZDEVFX-UHFFFAOYSA-N -1 1 374.407 2.248 20 0 FEADMM Cn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1nn[n-]n1 ZINC000497353031 561499108 /nfs/dbraw/zinc/49/91/08/561499108.db2.gz XGHHELUTGQZJDV-UHFFFAOYSA-N -1 1 356.436 2.467 20 0 FEADMM Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)cs2)o1 ZINC000282806214 551272591 /nfs/dbraw/zinc/27/25/91/551272591.db2.gz AULMDOYVIIAXRY-SNVBAGLBSA-N -1 1 359.411 2.143 20 0 FEADMM O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282877604 551280829 /nfs/dbraw/zinc/28/08/29/551280829.db2.gz JBHYRNQRZIXKAT-GFCCVEGCSA-N -1 1 355.423 2.241 20 0 FEADMM O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000282947511 551288479 /nfs/dbraw/zinc/28/84/79/551288479.db2.gz KRKWCBWYQOQVGW-UHFFFAOYSA-N -1 1 369.450 2.103 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282964417 551290490 /nfs/dbraw/zinc/29/04/90/551290490.db2.gz RTJHGUXZSUDDGH-GARJFASQSA-N -1 1 364.808 2.400 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)ccnc1-2 ZINC000283329732 551348823 /nfs/dbraw/zinc/34/88/23/551348823.db2.gz XRJRJDGOMMMWIY-HAHDFKILSA-N -1 1 357.458 2.001 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cncc([O-])c3)cc2)C[C@H](C)O1 ZINC000283956716 551456904 /nfs/dbraw/zinc/45/69/04/551456904.db2.gz KRFJSSPKBVPLNS-STQMWFEESA-N -1 1 355.394 2.289 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000285399031 551749584 /nfs/dbraw/zinc/74/95/84/551749584.db2.gz JUGRDMLVAJLSRM-UHFFFAOYSA-N -1 1 354.472 2.190 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccsc2)c(Br)n1C ZINC000286513441 551894712 /nfs/dbraw/zinc/89/47/12/551894712.db2.gz FGALSXNETPAAAU-UHFFFAOYSA-N -1 1 364.290 2.074 20 0 FEADMM COCCN(CCc1ccccc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287029003 551953544 /nfs/dbraw/zinc/95/35/44/551953544.db2.gz CQKZQACPOPGYAE-XLNRJJMWSA-N -1 1 353.426 2.065 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3c(F)cccc3N3CCCC3)ccnc1-2 ZINC000287069500 551959380 /nfs/dbraw/zinc/95/93/80/551959380.db2.gz HHEFLFUSVJBLBX-JLPGSUDCSA-N -1 1 368.416 2.403 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@@H](c4ccccc4F)C3)ccnc1-2 ZINC000287137941 551968432 /nfs/dbraw/zinc/96/84/32/551968432.db2.gz LEFDWGULKIEUSP-GRVPHDJPSA-N -1 1 355.373 2.086 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)ccnc1-2 ZINC000287823475 552051632 /nfs/dbraw/zinc/05/16/32/552051632.db2.gz ZCQPQSJEUMDQKQ-DJFNHCPNSA-N -1 1 353.382 2.154 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000288034129 552077897 /nfs/dbraw/zinc/07/78/97/552077897.db2.gz LOSZBKFFTMPUNZ-GFCCVEGCSA-N -1 1 361.398 2.350 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499722061 561557010 /nfs/dbraw/zinc/55/70/10/561557010.db2.gz XPWUEOMQTJRWPH-MRVPVSSYSA-N -1 1 354.400 2.034 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288626555 552187767 /nfs/dbraw/zinc/18/77/67/552187767.db2.gz NILOCFZVTQFRFI-GFCCVEGCSA-N -1 1 351.346 2.401 20 0 FEADMM O=C([C@@H]1CC=CC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1)N1CCOCC1 ZINC000289126573 552269669 /nfs/dbraw/zinc/26/96/69/552269669.db2.gz QTQIWURMKHVZGA-UONOGXRCSA-N -1 1 373.384 2.490 20 0 FEADMM CCOC(=O)[C@H](c1cccc(Cl)c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289390881 552313370 /nfs/dbraw/zinc/31/33/70/552313370.db2.gz KAHSUXOQJCIUDN-AWEZNQCLSA-N -1 1 364.833 2.235 20 0 FEADMM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1cc(Cl)ccc1Cl ZINC000289444646 552322836 /nfs/dbraw/zinc/32/28/36/552322836.db2.gz OPKVAAJUYKNHOA-VIFPVBQESA-N -1 1 370.240 2.223 20 0 FEADMM CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289502911 552332061 /nfs/dbraw/zinc/33/20/61/552332061.db2.gz QDVKLRDJNWYTKR-DZGCQCFKSA-N -1 1 371.403 2.206 20 0 FEADMM Cc1noc2ncc(C(=O)N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)cc12 ZINC000290273942 552452438 /nfs/dbraw/zinc/45/24/38/552452438.db2.gz CGYYATJPZNIEGD-SNVBAGLBSA-N -1 1 370.331 2.062 20 0 FEADMM Cc1ncc(/C=C/C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290411017 552474884 /nfs/dbraw/zinc/47/48/84/552474884.db2.gz QTOYNIZKQNFXGC-ZWNMCFTASA-N -1 1 361.389 2.382 20 0 FEADMM C[C@@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1cccnc1 ZINC000290420701 552476700 /nfs/dbraw/zinc/47/67/00/552476700.db2.gz JPNACERLSFCWAQ-OPDFLTKYSA-N -1 1 357.376 2.489 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1)C(F)(F)F ZINC000290446679 552480504 /nfs/dbraw/zinc/48/05/04/552480504.db2.gz UHBQVIDPJKZPIR-JTQLQIEISA-N -1 1 371.315 2.465 20 0 FEADMM CC(C)=CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290540712 552495115 /nfs/dbraw/zinc/49/51/15/552495115.db2.gz VYZGMRYLPPQYDZ-UHFFFAOYSA-N -1 1 351.255 2.354 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000290952972 552567932 /nfs/dbraw/zinc/56/79/32/552567932.db2.gz NFHVUYBAOAEABE-UHFFFAOYSA-N -1 1 351.306 2.247 20 0 FEADMM O=C(CSc1ccncc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291038482 552579278 /nfs/dbraw/zinc/57/92/78/552579278.db2.gz FWZSSVXEEFQNPM-LLVKDONJSA-N -1 1 361.389 2.091 20 0 FEADMM Cc1nc(-c2ccncc2)nc(N2CCC(c3n[n-]c(=O)o3)CC2)c1C ZINC000291165474 552595221 /nfs/dbraw/zinc/59/52/21/552595221.db2.gz QLJXKVQPIXEKQL-UHFFFAOYSA-N -1 1 352.398 2.216 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(Cl)ncc1Br)c1nn[n-]n1 ZINC000291841463 552667198 /nfs/dbraw/zinc/66/71/98/552667198.db2.gz FKVLNHPWUNGCIG-MRVPVSSYSA-N -1 1 359.615 2.282 20 0 FEADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(CN2CCCC2)on1 ZINC000292322477 552716018 /nfs/dbraw/zinc/71/60/18/552716018.db2.gz MLYBARKMJAPSSK-UHFFFAOYSA-N -1 1 356.411 2.436 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1)C(F)(F)F ZINC000292652292 552746396 /nfs/dbraw/zinc/74/63/96/552746396.db2.gz GQQROROFLYUDHQ-JTQLQIEISA-N -1 1 368.363 2.056 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000292989296 552777981 /nfs/dbraw/zinc/77/79/81/552777981.db2.gz YDWVOZDSUZKPBM-OAHLLOKOSA-N -1 1 356.426 2.121 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293952650 552870303 /nfs/dbraw/zinc/87/03/03/552870303.db2.gz PCLCBSFDFGHQSR-IBGZPJMESA-N -1 1 365.437 2.187 20 0 FEADMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000294008893 552874905 /nfs/dbraw/zinc/87/49/05/552874905.db2.gz JZKSSNYDSVCJLK-VIFPVBQESA-N -1 1 365.352 2.488 20 0 FEADMM CC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000294060126 552878694 /nfs/dbraw/zinc/87/86/94/552878694.db2.gz GUMPVYFMIUSDQQ-INIZCTEOSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@]1(O)CCCC1(C)C ZINC000294120332 552883620 /nfs/dbraw/zinc/88/36/20/552883620.db2.gz KBZLDLOZLQTIOX-HXUWFJFHSA-N -1 1 370.453 2.153 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000294492059 552910286 /nfs/dbraw/zinc/91/02/86/552910286.db2.gz YLLUSPRYNTXBAC-GFCCVEGCSA-N -1 1 367.452 2.102 20 0 FEADMM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000501848453 561606570 /nfs/dbraw/zinc/60/65/70/561606570.db2.gz SGRWLPUWISVFLD-QWHCGFSZSA-N -1 1 372.491 2.302 20 0 FEADMM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000501848453 561606571 /nfs/dbraw/zinc/60/65/71/561606571.db2.gz SGRWLPUWISVFLD-QWHCGFSZSA-N -1 1 372.491 2.302 20 0 FEADMM COc1ccc(CCCNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1OC ZINC000294794491 552934636 /nfs/dbraw/zinc/93/46/36/552934636.db2.gz HVZKNQCQQYGDJF-UHFFFAOYSA-N -1 1 372.450 2.398 20 0 FEADMM C[C@H](NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cc1 ZINC000295300794 552983779 /nfs/dbraw/zinc/98/37/79/552983779.db2.gz JZAPHRIZHRZIKA-WCQYABFASA-N -1 1 364.833 2.073 20 0 FEADMM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000295338959 552990004 /nfs/dbraw/zinc/99/00/04/552990004.db2.gz QRJVYAWJDWKJCF-SECBINFHSA-N -1 1 369.668 2.343 20 0 FEADMM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)C[C@H](C)OC ZINC000295341425 552990428 /nfs/dbraw/zinc/99/04/28/552990428.db2.gz PVWCZFVUSFREJH-ZDUSSCGKSA-N -1 1 355.460 2.240 20 0 FEADMM CC[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1nnc2n1CCCCC2 ZINC000295343270 552991049 /nfs/dbraw/zinc/99/10/49/552991049.db2.gz PXOIYIFGQRDADV-LBPRGKRZSA-N -1 1 371.470 2.217 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000295752414 553054440 /nfs/dbraw/zinc/05/44/40/553054440.db2.gz UXBXCASGWUAHQG-UHFFFAOYSA-N -1 1 351.399 2.438 20 0 FEADMM Cc1ccn2ncc(C(=O)N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000296029819 553092404 /nfs/dbraw/zinc/09/24/04/553092404.db2.gz MLHZAGQIYMWAAL-GFCCVEGCSA-N -1 1 368.359 2.173 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000296074958 553100532 /nfs/dbraw/zinc/10/05/32/553100532.db2.gz KYVMETUFMUSURF-SKDRFNHKSA-N -1 1 370.375 2.371 20 0 FEADMM CCC[C@@H](CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)OC ZINC000296093055 553103398 /nfs/dbraw/zinc/10/33/98/553103398.db2.gz PGGHVLKQUOKNOV-HNNXBMFYSA-N -1 1 358.442 2.417 20 0 FEADMM C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000503475290 561642256 /nfs/dbraw/zinc/64/22/56/561642256.db2.gz KZDVYPKBURSCOF-RDJZCZTQSA-N -1 1 374.510 2.333 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298835653 553479407 /nfs/dbraw/zinc/47/94/07/553479407.db2.gz CZAHLXPCMCVPSW-SNVBAGLBSA-N -1 1 365.231 2.189 20 0 FEADMM Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000299253565 553537511 /nfs/dbraw/zinc/53/75/11/553537511.db2.gz PVGHMCGZDHVOKG-UHFFFAOYSA-N -1 1 362.455 2.492 20 0 FEADMM COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000299306451 553545488 /nfs/dbraw/zinc/54/54/88/553545488.db2.gz SLJJJJNDNZCEMR-AWEZNQCLSA-N -1 1 354.790 2.205 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)c1 ZINC000504022173 561651994 /nfs/dbraw/zinc/65/19/94/561651994.db2.gz LAVYIKOJZYZYRI-UHFFFAOYSA-N -1 1 351.380 2.297 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000504047011 561652411 /nfs/dbraw/zinc/65/24/11/561652411.db2.gz YKQVSYWVYNBUIP-UHFFFAOYSA-N -1 1 351.380 2.363 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c[nH]1 ZINC000299542994 553578271 /nfs/dbraw/zinc/57/82/71/553578271.db2.gz BGUROIBWOJBWNJ-UHFFFAOYSA-N -1 1 363.395 2.031 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCOC(C)C ZINC000299623033 553590271 /nfs/dbraw/zinc/59/02/71/553590271.db2.gz QVBQYZXZVVCZGX-UHFFFAOYSA-N -1 1 358.442 2.417 20 0 FEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000299634808 553592785 /nfs/dbraw/zinc/59/27/85/553592785.db2.gz TVKOQNSTKCLTFK-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM COc1cncc(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000504686756 561661410 /nfs/dbraw/zinc/66/14/10/561661410.db2.gz JTZLBUXRUIEJBE-JTQLQIEISA-N -1 1 368.436 2.456 20 0 FEADMM C[C@H](CO)CNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301572468 553662277 /nfs/dbraw/zinc/66/22/77/553662277.db2.gz YMCZNUZBTNDXKQ-JTQLQIEISA-N -1 1 357.382 2.201 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000324566436 553772708 /nfs/dbraw/zinc/77/27/08/553772708.db2.gz KEROESMTSWXBEB-UHFFFAOYSA-N -1 1 368.436 2.257 20 0 FEADMM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000327449529 553789268 /nfs/dbraw/zinc/78/92/68/553789268.db2.gz IJQPWBXXLWUFML-CVEARBPZSA-N -1 1 369.483 2.038 20 0 FEADMM COC(=O)[C@@H]1CC12CCN(C(=O)c1cnc3nc(C)ccc3c1[O-])CC2 ZINC000505990320 561686879 /nfs/dbraw/zinc/68/68/79/561686879.db2.gz BXMUEARQTRUYQF-AWEZNQCLSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)[C@@H]1CC12CCN(C(=O)c1c[n-]c3nc(C)ccc3c1=O)CC2 ZINC000505990320 561686881 /nfs/dbraw/zinc/68/68/81/561686881.db2.gz BXMUEARQTRUYQF-AWEZNQCLSA-N -1 1 355.394 2.059 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329471389 553952366 /nfs/dbraw/zinc/95/23/66/553952366.db2.gz YYWRHNBRVAEYLM-KRWDZBQOSA-N -1 1 372.469 2.402 20 0 FEADMM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000507523432 561731801 /nfs/dbraw/zinc/73/18/01/561731801.db2.gz AGWDHWOJHVKNGC-UHFFFAOYSA-N -1 1 355.362 2.272 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)c3c(Cl)cnn3C)CCCCCC2)no1 ZINC000330274310 554097823 /nfs/dbraw/zinc/09/78/23/554097823.db2.gz JWSGRPILFWBCLZ-UHFFFAOYSA-N -1 1 373.866 2.293 20 0 FEADMM CCn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2nc(C)c(C)s2)cn1 ZINC000330359390 554111541 /nfs/dbraw/zinc/11/15/41/554111541.db2.gz VYRCAEJXKZWICN-UONOGXRCSA-N -1 1 370.500 2.175 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(O)cc(F)c1)c1ccccc1 ZINC000507937025 561746660 /nfs/dbraw/zinc/74/66/60/561746660.db2.gz NWZKRMHJXFTSTD-HNNXBMFYSA-N -1 1 353.371 2.230 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000508219620 561755730 /nfs/dbraw/zinc/75/57/30/561755730.db2.gz CFHRRNIGBDGDIR-UHFFFAOYSA-N -1 1 352.464 2.342 20 0 FEADMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000508395171 561761141 /nfs/dbraw/zinc/76/11/41/561761141.db2.gz QLLJVLTYMJXBKN-OAHLLOKOSA-N -1 1 359.401 2.040 20 0 FEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000331542669 554282251 /nfs/dbraw/zinc/28/22/51/554282251.db2.gz QPUIFRZOCULSFI-SKDRFNHKSA-N -1 1 364.389 2.172 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1cc(NC(=O)c2cnoc2C)ccc1F ZINC000509073590 561783686 /nfs/dbraw/zinc/78/36/86/561783686.db2.gz CLZMNCPTSGQZPM-SECBINFHSA-N -1 1 371.390 2.151 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)c1 ZINC000509101132 561784851 /nfs/dbraw/zinc/78/48/51/561784851.db2.gz WVPWALFOEKUPQI-UHFFFAOYSA-N -1 1 352.437 2.073 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c1 ZINC000509104122 561784904 /nfs/dbraw/zinc/78/49/04/561784904.db2.gz UBWJIUQPWZNJTI-UHFFFAOYSA-N -1 1 366.464 2.464 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc(Cl)c1[O-] ZINC000331696446 554309932 /nfs/dbraw/zinc/30/99/32/554309932.db2.gz ABFHIFRNESGXOY-CYBMUJFWSA-N -1 1 365.817 2.100 20 0 FEADMM CCCN(CCC)C(=O)CCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509262454 561792681 /nfs/dbraw/zinc/79/26/81/561792681.db2.gz HHFNDMWHHXUVHM-UHFFFAOYSA-N -1 1 366.462 2.300 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCc2cccc(C)n2)o1 ZINC000509633724 561808260 /nfs/dbraw/zinc/80/82/60/561808260.db2.gz NDRFFYMRSYDNHT-UHFFFAOYSA-N -1 1 352.412 2.071 20 0 FEADMM COC(=O)[C@@H](CN=c1nc([C@@H](C)OC)[n-]s1)Cc1cccc(F)c1 ZINC000509681183 561810351 /nfs/dbraw/zinc/81/03/51/561810351.db2.gz NMXHDZFSXCMDSY-ZYHUDNBSSA-N -1 1 353.419 2.250 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)CCCO ZINC000509862710 561816457 /nfs/dbraw/zinc/81/64/57/561816457.db2.gz GFKPSVCPLQXVLS-MRVPVSSYSA-N -1 1 370.254 2.219 20 0 FEADMM CC(C)NC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000332386695 554436762 /nfs/dbraw/zinc/43/67/62/554436762.db2.gz ZUWFBXRKZNFYDO-CYBMUJFWSA-N -1 1 373.413 2.325 20 0 FEADMM COC(=O)c1cccc2[nH]c([N-]S(=O)(=O)CCc3ccccc3)nc21 ZINC000510248122 561829750 /nfs/dbraw/zinc/82/97/50/561829750.db2.gz FJVMAEISLBNDGY-UHFFFAOYSA-N -1 1 359.407 2.334 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](c2nnc3ccccn32)C(C)C)sc1C ZINC000333134221 554577529 /nfs/dbraw/zinc/57/75/29/554577529.db2.gz JFARKVXFERXHHH-ZDUSSCGKSA-N -1 1 365.484 2.478 20 0 FEADMM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1csc(=NC2CC2)[n-]1 ZINC000333307937 554601094 /nfs/dbraw/zinc/60/10/94/554601094.db2.gz IQPRBBBXDRZIPQ-XPTSAGLGSA-N -1 1 363.405 2.931 20 0 FEADMM CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1sccc1Cl)CC2 ZINC000333383600 554608065 /nfs/dbraw/zinc/60/80/65/554608065.db2.gz FUTGVIZUGMZPCO-SECBINFHSA-N -1 1 360.892 2.410 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCc2ccc(O)cc2C1 ZINC000510839838 561848297 /nfs/dbraw/zinc/84/82/97/561848297.db2.gz YDTMWFPYJXIFIM-UHFFFAOYSA-N -1 1 366.421 2.275 20 0 FEADMM Cc1nnc([C@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)[nH]1 ZINC000334011428 554667758 /nfs/dbraw/zinc/66/77/58/554667758.db2.gz VQTZISUCVZLLGK-JTQLQIEISA-N -1 1 351.204 2.211 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000511031976 561854439 /nfs/dbraw/zinc/85/44/39/561854439.db2.gz PZSRPXQSYLCKLO-HZPDHXFCSA-N -1 1 353.422 2.360 20 0 FEADMM CO[C@](C)(c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1)C1CC1 ZINC000350452560 554790107 /nfs/dbraw/zinc/79/01/07/554790107.db2.gz KCIFBLXRMIDPFU-XPTSAGLGSA-N -1 1 357.457 2.442 20 0 FEADMM CCOc1cc(-c2noc(C3=NN(C)C(=O)CC3)n2)cc(Cl)c1[O-] ZINC000350787127 554813295 /nfs/dbraw/zinc/81/32/95/554813295.db2.gz MLEPIHHYWNQJEJ-UHFFFAOYSA-N -1 1 350.762 2.451 20 0 FEADMM COc1cc(-c2nc(CC(=O)N3CCSCC3)no2)cc(Cl)c1[O-] ZINC000350884527 554819841 /nfs/dbraw/zinc/81/98/41/554819841.db2.gz DQNROMASUXADLJ-UHFFFAOYSA-N -1 1 369.830 2.222 20 0 FEADMM O=S(=O)([N-]Cc1cnn2ccccc12)c1ccc(Br)o1 ZINC000511313211 561864809 /nfs/dbraw/zinc/86/48/09/561864809.db2.gz GPDFBKUFNTYGQK-UHFFFAOYSA-N -1 1 356.201 2.168 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCN1Cc1ccccc1 ZINC000360572250 554880300 /nfs/dbraw/zinc/88/03/00/554880300.db2.gz TWVFGBZNKMHCCQ-HNNXBMFYSA-N -1 1 366.389 2.044 20 0 FEADMM O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000361190591 554909105 /nfs/dbraw/zinc/90/91/05/554909105.db2.gz LAQSLJOQZHFORB-LLVKDONJSA-N -1 1 357.805 2.059 20 0 FEADMM CN(C)c1ncnc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000362027018 554944979 /nfs/dbraw/zinc/94/49/79/554944979.db2.gz XMZIATNNHMKFJO-UHFFFAOYSA-N -1 1 366.343 2.466 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000363349508 555083275 /nfs/dbraw/zinc/08/32/75/555083275.db2.gz VUTHYFWDVVZMPN-AWEZNQCLSA-N -1 1 368.459 2.173 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCc3c(ncn3-c3ccccc3)C1)c2=O ZINC000512016485 561889107 /nfs/dbraw/zinc/88/91/07/561889107.db2.gz GYLJRLHCQHOIRA-UHFFFAOYSA-N -1 1 374.404 2.058 20 0 FEADMM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512081941 561891549 /nfs/dbraw/zinc/89/15/49/561891549.db2.gz LKPIEUIGWLPWDH-HNAYVOBHSA-N -1 1 352.394 2.143 20 0 FEADMM Cc1nccc(CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3[O-])C2=O)n1 ZINC000363977173 555225804 /nfs/dbraw/zinc/22/58/04/555225804.db2.gz SXTBIYAWGGTFHT-OAHLLOKOSA-N -1 1 374.828 2.065 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000364120908 555253880 /nfs/dbraw/zinc/25/38/80/555253880.db2.gz JRNLHVPUONTMTE-CYBMUJFWSA-N -1 1 370.446 2.128 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000512437485 561904955 /nfs/dbraw/zinc/90/49/55/561904955.db2.gz SZWUNKJROWSGOE-BHYGNILZSA-N -1 1 369.483 2.068 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC3(CC1)OCc1ccccc13)c2=O ZINC000364694734 555376799 /nfs/dbraw/zinc/37/67/99/555376799.db2.gz HJQOXPJRXZKCSX-UHFFFAOYSA-N -1 1 364.405 2.336 20 0 FEADMM CCOCCCNC(=O)[C@H](C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364837148 555412340 /nfs/dbraw/zinc/41/23/40/555412340.db2.gz FDMOIMDMRHRZKV-HNNXBMFYSA-N -1 1 362.470 2.496 20 0 FEADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000617366258 555426701 /nfs/dbraw/zinc/42/67/01/555426701.db2.gz XXXQMUNGBPRLCV-MRVPVSSYSA-N -1 1 358.345 2.488 20 0 FEADMM C[C@@H](CO[N-]C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000365608678 555621726 /nfs/dbraw/zinc/62/17/26/555621726.db2.gz JNDKFRVKIAZNML-YVEFUNNKSA-N -1 1 361.458 2.160 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCC[C@H]3CC)CC2)n1 ZINC000365767570 555663228 /nfs/dbraw/zinc/66/32/28/555663228.db2.gz CLEWSZZGAURYPZ-TZMCWYRMSA-N -1 1 363.462 2.449 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)o1 ZINC000513551641 561942641 /nfs/dbraw/zinc/94/26/41/561942641.db2.gz DFLJHXFBVKEUTN-OAHLLOKOSA-N -1 1 362.451 2.343 20 0 FEADMM CCc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000366066094 555741699 /nfs/dbraw/zinc/74/16/99/555741699.db2.gz UDRMNALSKUEELY-JSGCOSHPSA-N -1 1 374.407 2.140 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2OC)c1 ZINC000513799796 561950399 /nfs/dbraw/zinc/95/03/99/561950399.db2.gz SUSAHTKOLHYDOX-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000513818328 561951271 /nfs/dbraw/zinc/95/12/71/561951271.db2.gz ADJBGEOXAHTMNY-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)c2ccccc2OC)c1 ZINC000513792402 561950014 /nfs/dbraw/zinc/95/00/14/561950014.db2.gz FWOIICMIAZNAOS-UHFFFAOYSA-N -1 1 353.396 2.288 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(CC)CC ZINC000513845840 561952392 /nfs/dbraw/zinc/95/23/92/561952392.db2.gz BNAMZEIEDPKSBT-STQMWFEESA-N -1 1 359.444 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2cccs2)co1 ZINC000366737044 555921995 /nfs/dbraw/zinc/92/19/95/555921995.db2.gz CBZISRDTFVENGN-NSHDSACASA-N -1 1 372.493 2.180 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(CC1CC1)C1CCC1 ZINC000366820774 555943690 /nfs/dbraw/zinc/94/36/90/555943690.db2.gz CSSVRBTVRBYUFK-UHFFFAOYSA-N -1 1 352.438 2.474 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000514692691 561974320 /nfs/dbraw/zinc/97/43/20/561974320.db2.gz ZWEAUPQYSNSZTN-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM CCC[C@H](CC)S(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000367911321 556170827 /nfs/dbraw/zinc/17/08/27/556170827.db2.gz NKPKTEFCXJAKNC-KBPBESRZSA-N -1 1 353.444 2.268 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F ZINC000514981659 561990094 /nfs/dbraw/zinc/99/00/94/561990094.db2.gz CWBUUAFNZAQMDO-UHFFFAOYSA-N -1 1 366.370 2.356 20 0 FEADMM O=C(CC1CCOCC1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503328 556328148 /nfs/dbraw/zinc/32/81/48/556328148.db2.gz PVZDNFFLLPRHDU-CQSZACIVSA-N -1 1 353.785 2.015 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)cc1C(=O)[O-] ZINC000368654403 556375112 /nfs/dbraw/zinc/37/51/12/556375112.db2.gz XWNHBTAIKNRTMX-HNNXBMFYSA-N -1 1 363.391 2.310 20 0 FEADMM C[C@@H](CN1CCN(c2ccccc2)CC1)N=c1[n-]c(C2CCOCC2)no1 ZINC000515612025 562016961 /nfs/dbraw/zinc/01/69/61/562016961.db2.gz XGICDCDLTVWMPS-INIZCTEOSA-N -1 1 371.485 2.008 20 0 FEADMM C[C@@H]1CN(C(=O)CN2CCC(c3ccccc3C(=O)[O-])CC2)C[C@H](C)O1 ZINC000368920819 556448730 /nfs/dbraw/zinc/44/87/30/556448730.db2.gz WMMHCHSMBHZUDP-GASCZTMLSA-N -1 1 360.454 2.200 20 0 FEADMM CO[C@H]1Cc2ccccc2N(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000369122592 556510368 /nfs/dbraw/zinc/51/03/68/556510368.db2.gz RXOFLYYVFKFAAZ-HNNXBMFYSA-N -1 1 366.421 2.199 20 0 FEADMM CCCc1n[n-]c(=NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)s1 ZINC000369209554 556536326 /nfs/dbraw/zinc/53/63/26/556536326.db2.gz MBNXOFYHDSOCOI-OAHLLOKOSA-N -1 1 374.514 2.919 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCOC2CCCCC2)o1 ZINC000516399297 562042017 /nfs/dbraw/zinc/04/20/17/562042017.db2.gz MBZHDVUMVGLBOS-UHFFFAOYSA-N -1 1 372.487 2.436 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000369957912 556741700 /nfs/dbraw/zinc/74/17/00/556741700.db2.gz JOYULJLCZKCRCR-ZDUSSCGKSA-N -1 1 359.430 2.416 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1(CCO)CCCC1 ZINC000370573230 556911527 /nfs/dbraw/zinc/91/15/27/556911527.db2.gz AWJBWKXZNSKELV-UHFFFAOYSA-N -1 1 370.453 2.154 20 0 FEADMM C[C@@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(C(F)(F)F)cc1 ZINC000370893686 557005646 /nfs/dbraw/zinc/00/56/46/557005646.db2.gz WKPWLEVEXPYSCZ-GXFFZTMASA-N -1 1 369.347 2.312 20 0 FEADMM O=C(c1cc(F)ccc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000371027038 557050490 /nfs/dbraw/zinc/05/04/90/557050490.db2.gz YTKUPSDKHHWACK-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)NCCN1CC[C@@H](O)C1 ZINC000626507620 557099692 /nfs/dbraw/zinc/09/96/92/557099692.db2.gz HQXNFLROPPMORL-GFCCVEGCSA-N -1 1 367.862 2.047 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)sc1C ZINC000517476664 562090980 /nfs/dbraw/zinc/09/09/80/562090980.db2.gz MZHPVWXBUHFQGJ-HOCLYGCPSA-N -1 1 370.471 2.344 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1OC ZINC000517638072 562094311 /nfs/dbraw/zinc/09/43/11/562094311.db2.gz CXJHHAAOOAUUMT-JOCHJYFZSA-N -1 1 355.437 2.242 20 0 FEADMM Cc1nc(C2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)no1 ZINC000371825889 557304432 /nfs/dbraw/zinc/30/44/32/557304432.db2.gz AORMIQKJMYSGEX-UHFFFAOYSA-N -1 1 359.430 2.499 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)CC1 ZINC000371854561 557311866 /nfs/dbraw/zinc/31/18/66/557311866.db2.gz XZSXJTBMYCLZLB-UHFFFAOYSA-N -1 1 354.472 2.108 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC2(C1)CCCCC2 ZINC000371887296 557320212 /nfs/dbraw/zinc/32/02/12/557320212.db2.gz FGMRWBLVKUTYSP-UHFFFAOYSA-N -1 1 374.485 2.053 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCOCC12CCC2 ZINC000372125347 557386336 /nfs/dbraw/zinc/38/63/36/557386336.db2.gz HRZSNKGBHUXXGF-UHFFFAOYSA-N -1 1 368.437 2.267 20 0 FEADMM Cc1ccnc([C@@H]2CCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)C2)c1 ZINC000518794975 562118626 /nfs/dbraw/zinc/11/86/26/562118626.db2.gz UKKOXHQRLHUQPW-OAHLLOKOSA-N -1 1 365.437 2.314 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCSCC1 ZINC000372164718 557397073 /nfs/dbraw/zinc/39/70/73/557397073.db2.gz XSIRLNOJYBWFFV-AWEZNQCLSA-N -1 1 362.495 2.251 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C2CCOCC2)CC1 ZINC000372214694 557411782 /nfs/dbraw/zinc/41/17/82/557411782.db2.gz AHZWSOGSTRVOFM-UHFFFAOYSA-N -1 1 351.472 2.491 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)o1 ZINC000519356686 562129975 /nfs/dbraw/zinc/12/99/75/562129975.db2.gz RVZGTXMLUGLVKE-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM Cc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1C ZINC000519367509 562130277 /nfs/dbraw/zinc/13/02/77/562130277.db2.gz IJWROGLQFQVJHK-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000521037623 562167979 /nfs/dbraw/zinc/16/79/79/562167979.db2.gz LTPSRPDQKNVBFE-YGRLFVJLSA-N -1 1 369.418 2.281 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)o1 ZINC000374530000 557895561 /nfs/dbraw/zinc/89/55/61/557895561.db2.gz KCCZPBLZABRKMB-UHFFFAOYSA-N -1 1 368.842 2.156 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)ccc1C(=O)[O-] ZINC000375650259 558062461 /nfs/dbraw/zinc/06/24/61/558062461.db2.gz CEDYUKAVSKFUBB-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1occ2c1CCOC2 ZINC000376086574 558125183 /nfs/dbraw/zinc/12/51/83/558125183.db2.gz AFYQMTUNEHTHSN-UHFFFAOYSA-N -1 1 354.359 2.115 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000376305260 558155346 /nfs/dbraw/zinc/15/53/46/558155346.db2.gz QPGGSLLYOVZCAZ-CQSZACIVSA-N -1 1 358.442 2.012 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000376718990 558213123 /nfs/dbraw/zinc/21/31/23/558213123.db2.gz AWDDAUGYOPVGJM-UHFFFAOYSA-N -1 1 372.388 2.250 20 0 FEADMM COc1ccc(C2(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)CC2)cc1 ZINC000521852758 562184952 /nfs/dbraw/zinc/18/49/52/562184952.db2.gz ZVQYDLCPNSKKGD-UHFFFAOYSA-N -1 1 366.421 2.408 20 0 FEADMM COc1cc(NC(=O)c2snnc2C2CC2)ccc1[N-]S(C)(=O)=O ZINC000521944416 562187002 /nfs/dbraw/zinc/18/70/02/562187002.db2.gz XJVCLEJTSZBFBX-UHFFFAOYSA-N -1 1 368.440 2.048 20 0 FEADMM CCCc1n[n-]c(=NC(=O)N(C)C2CCN(Cc3ccncc3)CC2)s1 ZINC000377576426 558369268 /nfs/dbraw/zinc/36/92/68/558369268.db2.gz CPACZVTYVYKNEY-UHFFFAOYSA-N -1 1 374.514 3.014 20 0 FEADMM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000377628170 558380603 /nfs/dbraw/zinc/38/06/03/558380603.db2.gz NOVFOHIIFSEWED-ZDUSSCGKSA-N -1 1 360.360 2.449 20 0 FEADMM O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1F ZINC000377631268 558381007 /nfs/dbraw/zinc/38/10/07/558381007.db2.gz ROCXNDBHKNMRKF-ZIAGYGMSSA-N -1 1 362.376 2.036 20 0 FEADMM O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1F ZINC000377631266 558381225 /nfs/dbraw/zinc/38/12/25/558381225.db2.gz ROCXNDBHKNMRKF-KGLIPLIRSA-N -1 1 362.376 2.036 20 0 FEADMM COc1ccc(Cl)cc1NCCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522857356 562204940 /nfs/dbraw/zinc/20/49/40/562204940.db2.gz YVZJGUQEWNUYMK-UHFFFAOYSA-N -1 1 364.837 2.249 20 0 FEADMM O=S(=O)(CCc1cccs1)[N-]c1cnn(-c2ncccc2F)c1 ZINC000378063082 558472435 /nfs/dbraw/zinc/47/24/35/558472435.db2.gz VWXXKAYWNRHCSZ-UHFFFAOYSA-N -1 1 352.416 2.452 20 0 FEADMM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1c(Cl)ccnc1Cl ZINC000378471722 558565156 /nfs/dbraw/zinc/56/51/56/558565156.db2.gz FSNQVVVWBNBMFW-NWDGAFQWSA-N -1 1 359.234 2.325 20 0 FEADMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000378519753 558574017 /nfs/dbraw/zinc/57/40/17/558574017.db2.gz VNOZOWYTRIMCEU-MRXNPFEDSA-N -1 1 371.414 2.459 20 0 FEADMM C[C@@H](N(C)C(=O)c1ccc(I)c([O-])c1)C(C)(C)O ZINC000382864791 558604837 /nfs/dbraw/zinc/60/48/37/558604837.db2.gz NQMUCCWBMBQISP-MRVPVSSYSA-N -1 1 363.195 2.228 20 0 FEADMM COCC1(NC(=O)c2ccc(I)c([O-])c2)CCC1 ZINC000378832362 558601708 /nfs/dbraw/zinc/60/17/08/558601708.db2.gz SPDPZAOXOFMLQY-UHFFFAOYSA-N -1 1 361.179 2.296 20 0 FEADMM CC[C@]1(NC(=O)c2ccc(I)c([O-])c2)CCOC1 ZINC000393499045 558621089 /nfs/dbraw/zinc/62/10/89/558621089.db2.gz XLXFIUJBSGGPOM-ZDUSSCGKSA-N -1 1 361.179 2.296 20 0 FEADMM CCOC1(C)CN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000399983038 558628517 /nfs/dbraw/zinc/62/85/17/558628517.db2.gz LMXMJIXCWGVKSB-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)CSCC(=O)[O-] ZINC000404379268 558631157 /nfs/dbraw/zinc/63/11/57/558631157.db2.gz KRPDCCGWMPMNJG-RRFJBIMHSA-N -1 1 350.484 2.314 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cc(Cl)c1[O-] ZINC000408064649 558642691 /nfs/dbraw/zinc/64/26/91/558642691.db2.gz LWZYJBDFUUTQIP-NWANDNLSSA-N -1 1 369.845 2.446 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@H]2CCO[C@@H]21 ZINC000408213037 558657250 /nfs/dbraw/zinc/65/72/50/558657250.db2.gz BXRQJZQNUWEXSM-ONOSFVFSSA-N -1 1 350.234 2.134 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@@H]1C ZINC000408235644 558659343 /nfs/dbraw/zinc/65/93/43/558659343.db2.gz KBWPIJMIEIPMER-GHMZBOCLSA-N -1 1 364.464 2.006 20 0 FEADMM O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccncc1[O-] ZINC000409451306 558693792 /nfs/dbraw/zinc/69/37/92/558693792.db2.gz GBMYWJMZRVQBOT-UHFFFAOYSA-N -1 1 353.334 2.072 20 0 FEADMM Cc1nc(NC(=O)c2cncc([O-])c2)ccc1I ZINC000410010148 558733256 /nfs/dbraw/zinc/73/32/56/558733256.db2.gz JIVGJUOTPVNFBQ-UHFFFAOYSA-N -1 1 355.135 2.348 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000525523514 562249864 /nfs/dbraw/zinc/24/98/64/562249864.db2.gz HJMCKNFKLVIKMS-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM CC(=O)c1ccc2c(c1)CN(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)C2 ZINC000412529979 559041465 /nfs/dbraw/zinc/04/14/65/559041465.db2.gz BEZJTSQNHQXXPB-UHFFFAOYSA-N -1 1 364.405 2.339 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000526035902 562264660 /nfs/dbraw/zinc/26/46/60/562264660.db2.gz QDNSJWSGRLYBRW-UHFFFAOYSA-N -1 1 358.419 2.315 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000526947182 562270356 /nfs/dbraw/zinc/27/03/56/562270356.db2.gz DIMDVHFHDVESAH-MNOVXSKESA-N -1 1 361.847 2.140 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1Cl ZINC000414374560 559159441 /nfs/dbraw/zinc/15/94/41/559159441.db2.gz OZFULGHDTRVHEK-UHFFFAOYSA-N -1 1 361.851 2.036 20 0 FEADMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)n1 ZINC000414454551 559165005 /nfs/dbraw/zinc/16/50/05/559165005.db2.gz RDVJBNIDJKMHRB-UHFFFAOYSA-N -1 1 374.413 2.017 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1Br ZINC000414468153 559166634 /nfs/dbraw/zinc/16/66/34/559166634.db2.gz FNMZJAWPZDQAST-UHFFFAOYSA-N -1 1 362.253 2.134 20 0 FEADMM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2CC(=O)N(CCC)C2)[nH]1 ZINC000415526791 559246678 /nfs/dbraw/zinc/24/66/78/559246678.db2.gz UNTPDDFXZMCHIE-GFCCVEGCSA-N -1 1 364.446 2.126 20 0 FEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@@H]2C ZINC000416208595 559298534 /nfs/dbraw/zinc/29/85/34/559298534.db2.gz YITLYKANROITPC-NXEZZACHSA-N -1 1 359.382 2.053 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000416249188 559301133 /nfs/dbraw/zinc/30/11/33/559301133.db2.gz WIRFTWLKFHKNGU-LLVKDONJSA-N -1 1 351.309 2.152 20 0 FEADMM CO[C@@H](CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)CC(C)C ZINC000416262375 559301612 /nfs/dbraw/zinc/30/16/12/559301612.db2.gz OPUBZJPRKMCLTB-OAHLLOKOSA-N -1 1 358.442 2.272 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)nc2)c(C)c1C ZINC000416421006 559311803 /nfs/dbraw/zinc/31/18/03/559311803.db2.gz AICBPQMPDZRPEA-UHFFFAOYSA-N -1 1 363.439 2.491 20 0 FEADMM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]CC3(C(F)(F)F)CCC3)cc2o1 ZINC000416489835 559317092 /nfs/dbraw/zinc/31/70/92/559317092.db2.gz SNYGRCPPLXPLAW-UHFFFAOYSA-N -1 1 368.308 2.271 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)o1 ZINC000416507409 559318515 /nfs/dbraw/zinc/31/85/15/559318515.db2.gz KFFYYTOBELWMEA-ZYHUDNBSSA-N -1 1 371.436 2.326 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@@H]1CCCOC1)c1c(Cl)cc(F)cc1Cl ZINC000416608803 559324912 /nfs/dbraw/zinc/32/49/12/559324912.db2.gz LENTYASDSCZGTN-PRHODGIISA-N -1 1 372.245 2.198 20 0 FEADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc2c1OCO2 ZINC000417569216 559367095 /nfs/dbraw/zinc/36/70/95/559367095.db2.gz LEOKCIUIHLOSQL-MRXNPFEDSA-N -1 1 363.341 2.487 20 0 FEADMM COc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc2c1OCO2 ZINC000417569215 559367140 /nfs/dbraw/zinc/36/71/40/559367140.db2.gz LEOKCIUIHLOSQL-INIZCTEOSA-N -1 1 363.341 2.487 20 0 FEADMM COc1ccc(CN[C@@H](Cn2cc(C)cn2)C(=O)[O-])c(Br)c1 ZINC000417575093 559367259 /nfs/dbraw/zinc/36/72/59/559367259.db2.gz ISJJVUPMEOBNCK-AWEZNQCLSA-N -1 1 368.231 2.206 20 0 FEADMM CCOc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2)ccc1OC(F)F ZINC000417587259 559368104 /nfs/dbraw/zinc/36/81/04/559368104.db2.gz BROJLPKYDYHPSD-AWEZNQCLSA-N -1 1 355.341 2.336 20 0 FEADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(C(N)=O)c2)c1OC ZINC000417586878 559368127 /nfs/dbraw/zinc/36/81/27/559368127.db2.gz ROVQAIOXFBQWLB-OAHLLOKOSA-N -1 1 358.394 2.108 20 0 FEADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)ccc1OC(F)F ZINC000417587261 559368165 /nfs/dbraw/zinc/36/81/65/559368165.db2.gz BROJLPKYDYHPSD-CQSZACIVSA-N -1 1 355.341 2.336 20 0 FEADMM COc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2)ccc1OCC(F)(F)F ZINC000417591381 559368365 /nfs/dbraw/zinc/36/83/65/559368365.db2.gz GGWXIGFRJSPNOX-AWEZNQCLSA-N -1 1 373.331 2.285 20 0 FEADMM COc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1Br ZINC000417596766 559368721 /nfs/dbraw/zinc/36/87/21/559368721.db2.gz LIDYWIKHLASXRZ-ZDUSSCGKSA-N -1 1 354.204 2.107 20 0 FEADMM Cn1cnc(CCN=c2[n-]c(C(F)(F)F)c(Br)s2)n1 ZINC000418890787 559421123 /nfs/dbraw/zinc/42/11/23/559421123.db2.gz WRZDRIOMESJQJO-UHFFFAOYSA-N -1 1 356.171 2.708 20 0 FEADMM Cc1cc(=NC(=O)c2cnc3nc(C)ccc3c2[O-])[nH]n1CC(F)(F)F ZINC000420196943 559476146 /nfs/dbraw/zinc/47/61/46/559476146.db2.gz XGFYBOWPOAAROW-UHFFFAOYSA-N -1 1 365.315 2.963 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)(C(=O)OC)c1ccccc1 ZINC000420677438 559497321 /nfs/dbraw/zinc/49/73/21/559497321.db2.gz MSIVXONLQGJURJ-FUHWJXTLSA-N -1 1 371.499 2.445 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)o1 ZINC000420704623 559499275 /nfs/dbraw/zinc/49/92/75/559499275.db2.gz JDQCCDKNFVVKSZ-LLVKDONJSA-N -1 1 359.469 2.268 20 0 FEADMM CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000422032317 559561864 /nfs/dbraw/zinc/56/18/64/559561864.db2.gz FFUIELYWROJYDV-UHFFFAOYSA-N -1 1 360.439 2.856 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@@]12CCOC2 ZINC000422061504 559563347 /nfs/dbraw/zinc/56/33/47/559563347.db2.gz BDLYHZIRZYANLD-ZDUSSCGKSA-N -1 1 359.163 2.002 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl)OC ZINC000424065715 559653472 /nfs/dbraw/zinc/65/34/72/559653472.db2.gz MFOWNIXMYDEOSS-ZETCQYMHSA-N -1 1 355.243 2.259 20 0 FEADMM CCc1nc(=NC(=O)c2nn(-c3cc(C)cc(F)c3)c3c2CCC3)[n-][nH]1 ZINC000424738640 559675273 /nfs/dbraw/zinc/67/52/73/559675273.db2.gz OZIIJLLIGHLEAF-UHFFFAOYSA-N -1 1 354.389 2.741 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000424815791 559677483 /nfs/dbraw/zinc/67/74/83/559677483.db2.gz YRVCZXRRNVRYDX-VWLOTQADSA-N -1 1 363.483 2.482 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](n2ccnn2)C1 ZINC000424999617 559682940 /nfs/dbraw/zinc/68/29/40/559682940.db2.gz HMJKGILSGANDLW-LLVKDONJSA-N -1 1 351.204 2.224 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(=O)NCC(C)(C)C)c(F)c1 ZINC000425162965 559689073 /nfs/dbraw/zinc/68/90/73/559689073.db2.gz BWNWSPDKLKYAIT-UHFFFAOYSA-N -1 1 362.442 2.492 20 0 FEADMM Cc1cc(N2CCC([N-]S(=O)(=O)c3c(F)cc(C)cc3F)CC2)n[nH]1 ZINC000425178944 559689703 /nfs/dbraw/zinc/68/97/03/559689703.db2.gz SNNAAKFLDURDGN-UHFFFAOYSA-N -1 1 370.425 2.252 20 0 FEADMM Cc1ccn(-c2ccccc2C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1 ZINC000425301029 559695368 /nfs/dbraw/zinc/69/53/68/559695368.db2.gz LWTXIQVOIFCYSD-CYBMUJFWSA-N -1 1 353.382 2.289 20 0 FEADMM C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425300447 559695520 /nfs/dbraw/zinc/69/55/20/559695520.db2.gz LLGJRLPIIOZPBU-OLZOCXBDSA-N -1 1 367.409 2.303 20 0 FEADMM CN(C)[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1cccc(Cl)c1 ZINC000425306162 559695859 /nfs/dbraw/zinc/69/58/59/559695859.db2.gz RUIFYMICUNKHPD-JSGCOSHPSA-N -1 1 364.833 2.438 20 0 FEADMM CCOc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3n[n-]c(=O)o3)CC1)CO2 ZINC000425320858 559696369 /nfs/dbraw/zinc/69/63/69/559696369.db2.gz LROKCLXGTUMLAM-CQSZACIVSA-N -1 1 373.409 2.131 20 0 FEADMM COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425322242 559696665 /nfs/dbraw/zinc/69/66/65/559696665.db2.gz NQTVTAFSJBASKI-LBPRGKRZSA-N -1 1 359.382 2.056 20 0 FEADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3csc(=NC4CC4)[n-]3)cc21 ZINC000426824352 559742608 /nfs/dbraw/zinc/74/26/08/559742608.db2.gz HSBLUXDJQKGFID-UHFFFAOYSA-N -1 1 369.450 2.670 20 0 FEADMM COC1CCC(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000427071302 559747100 /nfs/dbraw/zinc/74/71/00/559747100.db2.gz DGFXAZRZYCHVAN-UHFFFAOYSA-N -1 1 360.458 2.306 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000427318637 559753136 /nfs/dbraw/zinc/75/31/36/559753136.db2.gz ATIVAWMPGLTADK-UHFFFAOYSA-N -1 1 359.444 2.176 20 0 FEADMM Cc1cnc(C(=O)NCc2cccc(C(=O)Nc3ccncc3)c2)c([O-])c1 ZINC000427446209 559755545 /nfs/dbraw/zinc/75/55/45/559755545.db2.gz KAHYHWHUXHEQNK-UHFFFAOYSA-N -1 1 362.389 2.095 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ncccc1[O-] ZINC000427556462 559757832 /nfs/dbraw/zinc/75/78/32/559757832.db2.gz ZQNPBXXSOJZXQX-LLVKDONJSA-N -1 1 354.328 2.387 20 0 FEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(OC(F)F)cn2)cc1 ZINC000427653239 559759729 /nfs/dbraw/zinc/75/97/29/559759729.db2.gz HRDYTNAFFPKYFR-UHFFFAOYSA-N -1 1 372.349 2.412 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cnc1C ZINC000427783762 559762424 /nfs/dbraw/zinc/76/24/24/559762424.db2.gz ZOOXHMZSDMPXBL-ZDUSSCGKSA-N -1 1 366.361 2.186 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)s2)c1 ZINC000427898461 559764877 /nfs/dbraw/zinc/76/48/77/559764877.db2.gz SVNUSGDQRMJUGO-UHFFFAOYSA-N -1 1 360.844 2.196 20 0 FEADMM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000427983128 559767024 /nfs/dbraw/zinc/76/70/24/559767024.db2.gz KCQSDGHVMGCCNM-UHFFFAOYSA-N -1 1 368.397 2.376 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000428396991 559774659 /nfs/dbraw/zinc/77/46/59/559774659.db2.gz FKVPSQOINYRQCT-MRXNPFEDSA-N -1 1 354.472 2.056 20 0 FEADMM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000428749331 559782491 /nfs/dbraw/zinc/78/24/91/559782491.db2.gz HVEBCWFZBUEBFK-LBPRGKRZSA-N -1 1 355.232 2.238 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(-n3cnc(N(C)C)n3)c2)c1 ZINC000430660043 559825897 /nfs/dbraw/zinc/82/58/97/559825897.db2.gz CCXOMTMDKQOJOI-UHFFFAOYSA-N -1 1 357.439 2.443 20 0 FEADMM O=C([O-])C1CCN(CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000430667576 559826034 /nfs/dbraw/zinc/82/60/34/559826034.db2.gz FXXTXQHVIKELGT-UHFFFAOYSA-N -1 1 360.454 2.421 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1C ZINC000435205494 559917911 /nfs/dbraw/zinc/91/79/11/559917911.db2.gz IMUPHNCZFJOYBC-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)n1 ZINC000436206092 559937603 /nfs/dbraw/zinc/93/76/03/559937603.db2.gz FSAIHKHUFLDEFL-SNVBAGLBSA-N -1 1 360.439 2.224 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436477615 559942337 /nfs/dbraw/zinc/94/23/37/559942337.db2.gz JBPOZVKJGRWVBA-UHFFFAOYSA-N -1 1 360.313 2.311 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1O ZINC000436482156 559942789 /nfs/dbraw/zinc/94/27/89/559942789.db2.gz HDNUCDCZEWTGCO-UHFFFAOYSA-N -1 1 358.350 2.404 20 0 FEADMM CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436486448 559942944 /nfs/dbraw/zinc/94/29/44/559942944.db2.gz ISWSVDCXSBLFHD-NSHDSACASA-N -1 1 365.373 2.450 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000436504166 559943504 /nfs/dbraw/zinc/94/35/04/559943504.db2.gz IZKYNIQMZRKSRC-AHIWAGSCSA-N -1 1 364.442 2.251 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cncn3)c(C)c2)c1 ZINC000436506337 559943790 /nfs/dbraw/zinc/94/37/90/559943790.db2.gz BLZUOEKCGDCBAV-UHFFFAOYSA-N -1 1 352.350 2.320 20 0 FEADMM CN(CCNC(=O)c1ccc(Br)cc1[O-])CC(F)(F)F ZINC000436550455 559945016 /nfs/dbraw/zinc/94/50/16/559945016.db2.gz IITVUVZSVQLADW-UHFFFAOYSA-N -1 1 355.154 2.379 20 0 FEADMM CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436549554 559945161 /nfs/dbraw/zinc/94/51/61/559945161.db2.gz XMSWYJOROUXJDK-GFCCVEGCSA-N -1 1 372.874 2.438 20 0 FEADMM O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000436555806 559945294 /nfs/dbraw/zinc/94/52/94/559945294.db2.gz JLEHCFXTJNYNPX-UHFFFAOYSA-N -1 1 368.361 2.463 20 0 FEADMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000436571035 559945573 /nfs/dbraw/zinc/94/55/73/559945573.db2.gz BPJXQPWVFMXZHS-GFCCVEGCSA-N -1 1 356.378 2.326 20 0 FEADMM CC[C@H](C)n1nc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])cc1C ZINC000436615527 559946611 /nfs/dbraw/zinc/94/66/11/559946611.db2.gz FJWRWDFUNCYBES-JTQLQIEISA-N -1 1 366.443 2.029 20 0 FEADMM CCNC(=O)N1CCc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc21 ZINC000436699674 559949288 /nfs/dbraw/zinc/94/92/88/559949288.db2.gz RIQVRIZKBMSUMO-UHFFFAOYSA-N -1 1 353.378 2.306 20 0 FEADMM Cc1cccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1O ZINC000436703789 559949327 /nfs/dbraw/zinc/94/93/27/559949327.db2.gz MXWCKFLYDLNTNQ-UHFFFAOYSA-N -1 1 362.407 2.099 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c(O)c1 ZINC000436701933 559949336 /nfs/dbraw/zinc/94/93/36/559949336.db2.gz GFMOHRUCCGIMME-UHFFFAOYSA-N -1 1 362.407 2.099 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1O ZINC000436765380 559951115 /nfs/dbraw/zinc/95/11/15/559951115.db2.gz AMVQRRRLYYXOJR-UHFFFAOYSA-N -1 1 359.306 2.493 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCOCC2(CC2)C1 ZINC000436766775 559951218 /nfs/dbraw/zinc/95/12/18/559951218.db2.gz DTWZGNZUFZCBLG-UHFFFAOYSA-N -1 1 373.190 2.249 20 0 FEADMM COc1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1O ZINC000436811711 559952791 /nfs/dbraw/zinc/95/27/91/559952791.db2.gz JUUOSHYYCLOXLN-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM COCCN(Cc1ccnn1C)C(=O)c1ccc(Br)cc1[O-] ZINC000436838750 559953974 /nfs/dbraw/zinc/95/39/74/559953974.db2.gz NYLPKMXDOOZTPW-UHFFFAOYSA-N -1 1 368.231 2.177 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1c([O-])cccc1F)Oc1ccc(F)cc1 ZINC000436904355 559955946 /nfs/dbraw/zinc/95/59/46/559955946.db2.gz YURLPNWVRDCFLU-CQSZACIVSA-N -1 1 351.305 2.021 20 0 FEADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436911222 559956241 /nfs/dbraw/zinc/95/62/41/559956241.db2.gz FMPVDEHFWSJAKS-MRVPVSSYSA-N -1 1 365.821 2.320 20 0 FEADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436911222 559956242 /nfs/dbraw/zinc/95/62/42/559956242.db2.gz FMPVDEHFWSJAKS-MRVPVSSYSA-N -1 1 365.821 2.320 20 0 FEADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916799 559956434 /nfs/dbraw/zinc/95/64/34/559956434.db2.gz XTFIVDWKIGCFOU-KOLCDFICSA-N -1 1 366.805 2.353 20 0 FEADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916799 559956435 /nfs/dbraw/zinc/95/64/35/559956435.db2.gz XTFIVDWKIGCFOU-KOLCDFICSA-N -1 1 366.805 2.353 20 0 FEADMM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1ccc2ccccc2c1[O-] ZINC000436922813 559956752 /nfs/dbraw/zinc/95/67/52/559956752.db2.gz QHQUUBBLMPSDGY-UHFFFAOYSA-N -1 1 370.430 2.465 20 0 FEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1noc(Cc2ccccc2)n1 ZINC000436944591 559957037 /nfs/dbraw/zinc/95/70/37/559957037.db2.gz QTKVVMVNKGAWHT-GFCCVEGCSA-N -1 1 351.362 2.426 20 0 FEADMM O=C(NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000436956490 559957511 /nfs/dbraw/zinc/95/75/11/559957511.db2.gz RQVQGLJUVDOKRL-UHFFFAOYSA-N -1 1 367.405 2.140 20 0 FEADMM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)C(=O)c1ccc([O-])cc1 ZINC000436966567 559957666 /nfs/dbraw/zinc/95/76/66/559957666.db2.gz VTXBGKDHIBBUKP-UHFFFAOYSA-N -1 1 367.361 2.191 20 0 FEADMM NC(=O)[C@@H](CNC(=O)c1c([O-])cccc1F)Cc1ccccc1Cl ZINC000436981661 559958244 /nfs/dbraw/zinc/95/82/44/559958244.db2.gz CTZKFOJDZIQHRW-LLVKDONJSA-N -1 1 350.777 2.259 20 0 FEADMM CNC(=O)c1cc2cc(NC(=O)c3cc(NC(C)=O)ccc3[O-])ccc2[nH]1 ZINC000436996720 559959054 /nfs/dbraw/zinc/95/90/54/559959054.db2.gz FAQLTZSJDBGHIM-UHFFFAOYSA-N -1 1 366.377 2.444 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438382388 559978163 /nfs/dbraw/zinc/97/81/63/559978163.db2.gz WWIZDHMFVGINSP-YUTCNCBUSA-N -1 1 356.426 2.119 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1 ZINC000438717535 559982688 /nfs/dbraw/zinc/98/26/88/559982688.db2.gz AZZOQCLFRRQXEZ-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000438726130 559982743 /nfs/dbraw/zinc/98/27/43/559982743.db2.gz SXRMTAWGKIPJIQ-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1 ZINC000438765793 559983417 /nfs/dbraw/zinc/98/34/17/559983417.db2.gz KFOMUSDJCAXQJG-QHCPKHFHSA-N -1 1 367.448 2.402 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)CO)o1 ZINC000439194862 559989805 /nfs/dbraw/zinc/98/98/05/559989805.db2.gz YXCVYKRTASBXJQ-HNNXBMFYSA-N -1 1 367.423 2.104 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1N ZINC000439261719 559990999 /nfs/dbraw/zinc/99/09/99/559990999.db2.gz WPYIOOZARLWFDS-UHFFFAOYSA-N -1 1 354.359 2.004 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000439990767 560002894 /nfs/dbraw/zinc/00/28/94/560002894.db2.gz GJPMARWLWQXDSE-JKSUJKDBSA-N -1 1 370.453 2.415 20 0 FEADMM N=c1nc(N2CCN(c3nc(C(F)F)nc4ccccc43)CC2)s[n-]1 ZINC000442725226 560055425 /nfs/dbraw/zinc/05/54/25/560055425.db2.gz XTYVCXYXMUVNAK-UHFFFAOYSA-N -1 1 363.397 2.328 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc(F)c1F ZINC000442847392 560059660 /nfs/dbraw/zinc/05/96/60/560059660.db2.gz QISCZZDGJAWRCP-LBPRGKRZSA-N -1 1 359.369 2.233 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)o1 ZINC000443717200 560091010 /nfs/dbraw/zinc/09/10/10/560091010.db2.gz IQDMOFADUKCNSL-UHFFFAOYSA-N -1 1 373.814 2.467 20 0 FEADMM O=S(=O)([N-]CCN1CCC1)c1cc(Br)sc1Cl ZINC000443717150 560091024 /nfs/dbraw/zinc/09/10/24/560091024.db2.gz ICWNJBBGAIFXRZ-UHFFFAOYSA-N -1 1 359.698 2.148 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cnc4n(C)[n-]cc-4c3=O)[nH][nH]2)c1 ZINC000444810309 560121556 /nfs/dbraw/zinc/12/15/56/560121556.db2.gz CFSDQKAUTHEQHG-UHFFFAOYSA-N -1 1 366.356 2.764 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3csc(-c4nc[nH]n4)n3)[nH][n-]2)c1 ZINC000444812129 560121674 /nfs/dbraw/zinc/12/16/74/560121674.db2.gz LVDLPEDYKQYYFV-UHFFFAOYSA-N -1 1 369.385 3.018 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C)co1 ZINC000446373972 560145270 /nfs/dbraw/zinc/14/52/70/560145270.db2.gz BVIPQSFMUNVOHH-CYBMUJFWSA-N -1 1 350.440 2.199 20 0 FEADMM C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447486639 560163102 /nfs/dbraw/zinc/16/31/02/560163102.db2.gz FGDBDSSVZMXYCN-NSHDSACASA-N -1 1 365.430 2.437 20 0 FEADMM C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447486639 560163103 /nfs/dbraw/zinc/16/31/03/560163103.db2.gz FGDBDSSVZMXYCN-NSHDSACASA-N -1 1 365.430 2.437 20 0 FEADMM CCc1nnc([C@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)o1 ZINC000447498829 560163324 /nfs/dbraw/zinc/16/33/24/560163324.db2.gz KDZCGTZNDGGRAG-JTQLQIEISA-N -1 1 373.438 2.441 20 0 FEADMM CCc1nnc([C@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)o1 ZINC000447498829 560163325 /nfs/dbraw/zinc/16/33/25/560163325.db2.gz KDZCGTZNDGGRAG-JTQLQIEISA-N -1 1 373.438 2.441 20 0 FEADMM O=S(=O)([N-]Cc1ccc(OC(F)F)cn1)c1cccc(F)c1F ZINC000447855203 560171329 /nfs/dbraw/zinc/17/13/29/560171329.db2.gz QAVNDRVHBZSTHJ-UHFFFAOYSA-N -1 1 350.293 2.440 20 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CC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(F)F ZINC000451627193 560318055 /nfs/dbraw/zinc/31/80/55/560318055.db2.gz XJGSVDTZNFDYKA-LBPRGKRZSA-N -1 1 366.817 2.128 20 0 FEADMM CCC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000451747668 560326267 /nfs/dbraw/zinc/32/62/67/560326267.db2.gz ZTEUBRRFAGWWCU-UHFFFAOYSA-N -1 1 364.464 2.198 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C)o1 ZINC000451865735 560333371 /nfs/dbraw/zinc/33/33/71/560333371.db2.gz XYQCCNITBQZSAU-IUODEOHRSA-N -1 1 361.460 2.024 20 0 FEADMM Cc1ncsc1CCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000452704548 560371719 /nfs/dbraw/zinc/37/17/19/560371719.db2.gz WJSHUPHPXTXGAG-UHFFFAOYSA-N -1 1 359.455 2.108 20 0 FEADMM COc1ccc(-c2nnc(S(=O)(=O)CC3CC(F)(F)C3)[n-]2)c(OC)c1 ZINC000453020515 560381498 /nfs/dbraw/zinc/38/14/98/560381498.db2.gz GBDUOLWKBBSRJD-UHFFFAOYSA-N -1 1 373.381 2.308 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CC3CC(F)(F)C3)n[n-]2)c(OC)c1 ZINC000453020515 560381499 /nfs/dbraw/zinc/38/14/99/560381499.db2.gz GBDUOLWKBBSRJD-UHFFFAOYSA-N -1 1 373.381 2.308 20 0 FEADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H](C)O ZINC000456190950 560510298 /nfs/dbraw/zinc/51/02/98/560510298.db2.gz MHVIQJWEPNQDLY-DYVFJYSZSA-N -1 1 362.451 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)o1 ZINC000456742097 560531445 /nfs/dbraw/zinc/53/14/45/560531445.db2.gz XGTITDKNKDKRAY-UHFFFAOYSA-N -1 1 368.842 2.346 20 0 FEADMM COCC1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCCC1 ZINC000456857492 560534524 /nfs/dbraw/zinc/53/45/24/560534524.db2.gz MACISNGLRUSEJK-UHFFFAOYSA-N -1 1 360.458 2.307 20 0 FEADMM CN(C(=O)c1csc(=NC2CC2)[n-]1)C1CCN(CC(F)(F)F)CC1 ZINC000456936393 560539090 /nfs/dbraw/zinc/53/90/90/560539090.db2.gz NENTZIGQXULWRQ-UHFFFAOYSA-N -1 1 362.421 2.816 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC(F)(F)C(F)(F)C2)c(=O)[n-]1 ZINC000457946237 560595689 /nfs/dbraw/zinc/59/56/89/560595689.db2.gz JLQWSNWQXGHGKT-UHFFFAOYSA-N -1 1 353.341 2.258 20 0 FEADMM CC(C)(C)c1nc(CNC(=O)c2nn(-c3ccccc3F)cc2[O-])n[nH]1 ZINC000458023327 560599654 /nfs/dbraw/zinc/59/96/54/560599654.db2.gz MSKMBFXELSYISI-UHFFFAOYSA-N -1 1 358.377 2.063 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C12CCC2 ZINC000458166662 560606389 /nfs/dbraw/zinc/60/63/89/560606389.db2.gz BUOUOCOEAJDLEP-CHWSQXEVSA-N -1 1 370.471 2.044 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000458239331 560610769 /nfs/dbraw/zinc/61/07/69/560610769.db2.gz SJTBPSYWKAHFBS-HUUCEWRRSA-N -1 1 358.442 2.058 20 0 FEADMM Cc1cnc(C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000460277004 560740413 /nfs/dbraw/zinc/74/04/13/560740413.db2.gz OVULKGQNMDGAGI-LBPRGKRZSA-N -1 1 370.327 2.284 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1 ZINC000460438084 560743795 /nfs/dbraw/zinc/74/37/95/560743795.db2.gz OFOWPRAPCNYWDZ-UHFFFAOYSA-N -1 1 374.422 2.097 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c(C)c1 ZINC000460830791 560752869 /nfs/dbraw/zinc/75/28/69/560752869.db2.gz SQUMTWGZQYUZIX-UHFFFAOYSA-N -1 1 373.438 2.385 20 0 FEADMM COCCOCc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000461252919 560764943 /nfs/dbraw/zinc/76/49/43/560764943.db2.gz UAGSSJYATKGBRV-UHFFFAOYSA-N -1 1 367.405 2.016 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2coc3cc(F)ccc32)c1 ZINC000461459828 560772559 /nfs/dbraw/zinc/77/25/59/560772559.db2.gz FRRZZQXSWKPEAD-UHFFFAOYSA-N -1 1 364.354 2.438 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnc3onc(C)c3c2)cc1C(=O)[O-] ZINC000462101087 560797113 /nfs/dbraw/zinc/79/71/13/560797113.db2.gz IKXFPSALHDXDQB-UHFFFAOYSA-N -1 1 363.351 2.039 20 0 FEADMM C/C=C/C[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OCC ZINC000463402023 560812806 /nfs/dbraw/zinc/81/28/06/560812806.db2.gz WCHURWJENXZBPE-IYNGYCSASA-N -1 1 367.471 2.159 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nc2ccc(F)cc2n1C ZINC000464423841 560841468 /nfs/dbraw/zinc/84/14/68/560841468.db2.gz DLRNVGYECGEPDB-UHFFFAOYSA-N -1 1 368.372 2.259 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ncccc3Cl)cc2oc1=O ZINC000467024990 560901902 /nfs/dbraw/zinc/90/19/02/560901902.db2.gz WSELVYXXZGWVCJ-UHFFFAOYSA-N -1 1 353.787 2.464 20 0 FEADMM COc1cc(NC(=O)c2cnc3cnccc3c2)ccc1[N-]S(C)(=O)=O ZINC000467075473 560903081 /nfs/dbraw/zinc/90/30/81/560903081.db2.gz PONMEVRYWTUXBC-UHFFFAOYSA-N -1 1 372.406 2.262 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cn1C ZINC000467080305 560903177 /nfs/dbraw/zinc/90/31/77/560903177.db2.gz FCGRRFYZLURWLE-UHFFFAOYSA-N -1 1 352.412 2.400 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)C[C@@H](C)O ZINC000467494353 560911242 /nfs/dbraw/zinc/91/12/42/560911242.db2.gz PUNZWFPCROPGMB-GFCCVEGCSA-N -1 1 358.442 2.008 20 0 FEADMM CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000467762114 560916727 /nfs/dbraw/zinc/91/67/27/560916727.db2.gz JKLLAUWXROMGDT-UHFFFAOYSA-N -1 1 367.383 2.228 20 0 FEADMM CCOc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1OC ZINC000468138869 560923349 /nfs/dbraw/zinc/92/33/49/560923349.db2.gz SRLMFJWEKISECL-UHFFFAOYSA-N -1 1 370.365 2.404 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)ccc1F ZINC000468951143 560943113 /nfs/dbraw/zinc/94/31/13/560943113.db2.gz LTSGNMKJGWUAOJ-UHFFFAOYSA-N -1 1 362.386 2.275 20 0 FEADMM COc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000468977774 560943805 /nfs/dbraw/zinc/94/38/05/560943805.db2.gz NKHKVMNOSBAMDK-UHFFFAOYSA-N -1 1 355.343 2.347 20 0 FEADMM CC(C)(C)c1ccccc1NC(=O)CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000469193303 560949578 /nfs/dbraw/zinc/94/95/78/560949578.db2.gz JMMVSIVOUIFIOO-UHFFFAOYSA-N -1 1 374.514 2.179 20 0 FEADMM CO[C@@H](CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(F)(F)F ZINC000469269114 560951405 /nfs/dbraw/zinc/95/14/05/560951405.db2.gz HXHKZORQIALIKY-VIFPVBQESA-N -1 1 366.283 2.346 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000471117715 560998560 /nfs/dbraw/zinc/99/85/60/560998560.db2.gz XJBDSLMIMRLZAX-UHFFFAOYSA-N -1 1 355.437 2.290 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2OC)cc1C(=O)[O-] ZINC000471129522 560998938 /nfs/dbraw/zinc/99/89/38/560998938.db2.gz CFRAQFIOSYJBKT-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000471592178 561008097 /nfs/dbraw/zinc/00/80/97/561008097.db2.gz CHEOBMPGZWSMRR-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)ccc1F ZINC000471615152 561008858 /nfs/dbraw/zinc/00/88/58/561008858.db2.gz PKIFWVJOOKTISO-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c1 ZINC000472427267 561026267 /nfs/dbraw/zinc/02/62/67/561026267.db2.gz BQXORUROBDEKOJ-UHFFFAOYSA-N -1 1 371.484 2.203 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1ccc(OC)cc1OC ZINC000472626067 561031350 /nfs/dbraw/zinc/03/13/50/561031350.db2.gz MQSGGPICVBNNNR-INIZCTEOSA-N -1 1 371.455 2.028 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000472919775 561037905 /nfs/dbraw/zinc/03/79/05/561037905.db2.gz UCMGIVJPAGEXMJ-YNEHKIRRSA-N -1 1 370.471 2.044 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cncs1 ZINC000473174510 561043518 /nfs/dbraw/zinc/04/35/18/561043518.db2.gz OONISYNQNBUWCM-NSHDSACASA-N -1 1 355.423 2.017 20 0 FEADMM O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1(c2nn[n-]n2)CC1 ZINC000473385762 561049132 /nfs/dbraw/zinc/04/91/32/561049132.db2.gz LBBPMGYDXGHHFO-UHFFFAOYSA-N -1 1 362.604 2.344 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)ccc1NC(N)=O ZINC000474302815 561070811 /nfs/dbraw/zinc/07/08/11/561070811.db2.gz NRHHEVBECWBBLS-UHFFFAOYSA-N -1 1 363.395 2.189 20 0 FEADMM O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(F)cc1[O-] ZINC000474364820 561072132 /nfs/dbraw/zinc/07/21/32/561072132.db2.gz BXCPIRZZHMYZOD-UHFFFAOYSA-N -1 1 357.135 2.255 20 0 FEADMM CC(C)c1nc(Cn2cc(C(=O)Nc3ccncc3[O-])ccc2=O)cs1 ZINC000474372930 561072585 /nfs/dbraw/zinc/07/25/85/561072585.db2.gz MFSWQUSEVCFRPP-UHFFFAOYSA-N -1 1 370.434 2.251 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1 ZINC000474422633 561073631 /nfs/dbraw/zinc/07/36/31/561073631.db2.gz VOFOVBQSAZWJSY-UHFFFAOYSA-N -1 1 366.443 2.376 20 0 FEADMM CC(C)(NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nn[n-]n1 ZINC000474996308 561087247 /nfs/dbraw/zinc/08/72/47/561087247.db2.gz AVJXNYGTXOKHGW-UHFFFAOYSA-N -1 1 371.470 2.077 20 0 FEADMM Cc1ccc(OCc2cccc(C(=O)NC(C)(C)c3nn[n-]n3)c2)cn1 ZINC000475008621 561087545 /nfs/dbraw/zinc/08/75/45/561087545.db2.gz VRXNDZSGIGKGHP-UHFFFAOYSA-N -1 1 352.398 2.147 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000476395228 561118336 /nfs/dbraw/zinc/11/83/36/561118336.db2.gz ICYCWLSUSNGCDL-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)ccc1OCC(=O)[O-] ZINC000476806635 561128893 /nfs/dbraw/zinc/12/88/93/561128893.db2.gz NGGRKCNRYYOXFB-UHFFFAOYSA-N -1 1 367.427 2.211 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000477025655 561134499 /nfs/dbraw/zinc/13/44/99/561134499.db2.gz NSWBDSFUIUBZAL-UHFFFAOYSA-N -1 1 355.789 2.038 20 0 FEADMM CC(C)[C@H]1CNCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000528050466 562312614 /nfs/dbraw/zinc/31/26/14/562312614.db2.gz YTKZWEGNPUKXRL-LLVKDONJSA-N -1 1 352.378 2.030 20 0 FEADMM C[C@H](c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)[nH]n1)c1ccccc1 ZINC000528599247 562337809 /nfs/dbraw/zinc/33/78/09/562337809.db2.gz PBMHOBRXYZKTSA-LBPRGKRZSA-N -1 1 351.414 2.274 20 0 FEADMM CCc1oc2ccccc2c1CC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000528810093 562348843 /nfs/dbraw/zinc/34/88/43/562348843.db2.gz FUFXWPZSAKBKMF-UHFFFAOYSA-N -1 1 371.466 2.320 20 0 FEADMM Cc1cccc(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1Br ZINC000529022062 562357075 /nfs/dbraw/zinc/35/70/75/562357075.db2.gz QQYWMEHENVDZDN-SNVBAGLBSA-N -1 1 352.236 2.075 20 0 FEADMM CC1(N2CCOCC2)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000529910217 562390825 /nfs/dbraw/zinc/39/08/25/562390825.db2.gz BFXSWVXCVWQVST-UHFFFAOYSA-N -1 1 358.360 2.136 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530067865 562396853 /nfs/dbraw/zinc/39/68/53/562396853.db2.gz LVZRZYABBRBACU-NLQQUQSOSA-N -1 1 358.257 2.280 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3COC3)ccc2C)c1 ZINC000530114015 562398688 /nfs/dbraw/zinc/39/86/88/562398688.db2.gz ZZCWIDCYRVZHSB-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1CCOc1ccc(S(C)(=O)=O)cc1 ZINC000530176551 562401496 /nfs/dbraw/zinc/40/14/96/562401496.db2.gz UJUGJOLEUBQREP-STQMWFEESA-N -1 1 355.456 2.043 20 0 FEADMM O=C(CNS(=O)(=O)c1ccc(Cl)s1)Nc1ccc(F)cc1[O-] ZINC000532621981 562483619 /nfs/dbraw/zinc/48/36/19/562483619.db2.gz RRJAPSSGPAXUHD-UHFFFAOYSA-N -1 1 364.807 2.163 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000532032925 562464615 /nfs/dbraw/zinc/46/46/15/562464615.db2.gz IMKAWWLYWRJTAN-UHFFFAOYSA-N -1 1 373.434 2.077 20 0 FEADMM COc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000532621272 562483471 /nfs/dbraw/zinc/48/34/71/562483471.db2.gz ZPNVVJVCYUNGOZ-UHFFFAOYSA-N -1 1 354.410 2.228 20 0 FEADMM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(F)cc1[O-])C2=O ZINC000532673560 562485285 /nfs/dbraw/zinc/48/52/85/562485285.db2.gz GKIACTOYAQHHQF-SFHVURJKSA-N -1 1 363.389 2.361 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cncc(-c3nncn3C)c2)c(C)c1 ZINC000533120988 562499284 /nfs/dbraw/zinc/49/92/84/562499284.db2.gz SHIMTPRDMNDBKE-UHFFFAOYSA-N -1 1 373.438 2.303 20 0 FEADMM C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000533253316 562502905 /nfs/dbraw/zinc/50/29/05/562502905.db2.gz BHWGBDLBMLKCMR-JTQLQIEISA-N -1 1 365.268 2.208 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000533520570 562511406 /nfs/dbraw/zinc/51/14/06/562511406.db2.gz FPMDTDUMQDQNIR-CVEARBPZSA-N -1 1 372.469 2.259 20 0 FEADMM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000533925219 562521419 /nfs/dbraw/zinc/52/14/19/562521419.db2.gz ADKMFXXQTDPMHV-MRVPVSSYSA-N -1 1 372.231 2.414 20 0 FEADMM COc1cccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c1F ZINC000534136115 562526408 /nfs/dbraw/zinc/52/64/08/562526408.db2.gz WWVBZXZCPUWPAK-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000534317429 562531436 /nfs/dbraw/zinc/53/14/36/562531436.db2.gz CWDLYIRGAKWINF-RYUDHWBXSA-N -1 1 356.426 2.167 20 0 FEADMM CCC[C@@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000534733528 562541444 /nfs/dbraw/zinc/54/14/44/562541444.db2.gz FFMHPWNTZDLOFW-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)co1 ZINC000535230372 562553632 /nfs/dbraw/zinc/55/36/32/562553632.db2.gz YHSHTFUDIWNSGD-UHFFFAOYSA-N -1 1 362.411 2.371 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000535348745 562556479 /nfs/dbraw/zinc/55/64/79/562556479.db2.gz DBBPVQKNEDLWSK-UHFFFAOYSA-N -1 1 367.354 2.404 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 ZINC000535653678 562563453 /nfs/dbraw/zinc/56/34/53/562563453.db2.gz BAPVAJCWNNWFTO-UHFFFAOYSA-N -1 1 374.418 2.420 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)cs1 ZINC000535655686 562563466 /nfs/dbraw/zinc/56/34/66/562563466.db2.gz QICUITXHKNFMKB-UHFFFAOYSA-N -1 1 373.383 2.261 20 0 FEADMM CC[C@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000535973447 562571422 /nfs/dbraw/zinc/57/14/22/562571422.db2.gz DXVSOGNEPWDSPK-SWLSCSKDSA-N -1 1 371.459 2.146 20 0 FEADMM CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1 ZINC000536319733 562574359 /nfs/dbraw/zinc/57/43/59/562574359.db2.gz LQQZRDFCKZMCAT-UHFFFAOYSA-N -1 1 365.411 2.206 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cc2ccccn2c1 ZINC000536433145 562575420 /nfs/dbraw/zinc/57/54/20/562575420.db2.gz GITTWYZWMVXIRX-UHFFFAOYSA-N -1 1 371.418 2.338 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)[nH]n1 ZINC000540650101 562590569 /nfs/dbraw/zinc/59/05/69/562590569.db2.gz NWPDXXQESFUMEJ-UHFFFAOYSA-N -1 1 363.439 2.368 20 0 FEADMM CC(=O)c1cc(F)c([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)c(F)c1 ZINC000540752320 562592407 /nfs/dbraw/zinc/59/24/07/562592407.db2.gz UQKATIHXUDPLMT-UHFFFAOYSA-N -1 1 372.349 2.263 20 0 FEADMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540804173 562593410 /nfs/dbraw/zinc/59/34/10/562593410.db2.gz IWVQTUHVNDMUDZ-INIZCTEOSA-N -1 1 364.423 2.144 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000541305845 562608434 /nfs/dbraw/zinc/60/84/34/562608434.db2.gz DLHGJFUQXUGCOK-UHFFFAOYSA-N -1 1 368.434 2.195 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)cn1 ZINC000541923758 562623430 /nfs/dbraw/zinc/62/34/30/562623430.db2.gz CAQFTKFDGPUCGP-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546149545 562634336 /nfs/dbraw/zinc/63/43/36/562634336.db2.gz ZTFMKUFFUCNNGP-CYBMUJFWSA-N -1 1 366.425 2.357 20 0 FEADMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cn1 ZINC000546353207 562636409 /nfs/dbraw/zinc/63/64/09/562636409.db2.gz NUNUJBJIBZICPT-UHFFFAOYSA-N -1 1 366.424 2.070 20 0 FEADMM O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000549716345 562638278 /nfs/dbraw/zinc/63/82/78/562638278.db2.gz KVFLTEUYEFMFKP-CQSZACIVSA-N -1 1 370.409 2.072 20 0 FEADMM C[C@H]1CCN(C(=O)N[C@@H]2CCCSC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806910091 674395553 /nfs/dbraw/zinc/39/55/53/674395553.db2.gz RJFQZFKOHDZYNH-YFKTTZPYSA-N -1 1 367.437 2.369 20 0 FEADMM NC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000556361002 674398728 /nfs/dbraw/zinc/39/87/28/674398728.db2.gz FIFKSDDUUIBXBB-UHFFFAOYSA-N -1 1 356.806 2.099 20 0 FEADMM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000601739004 567822301 /nfs/dbraw/zinc/82/23/01/567822301.db2.gz JALZJEFVLUZFGN-ZUZCIYMTSA-N -1 1 361.316 2.204 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2csc(Br)c2C)n[n-]1 ZINC000603015736 568051828 /nfs/dbraw/zinc/05/18/28/568051828.db2.gz KSCVKVZTXZGXFR-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2csc(Br)c2C)n1 ZINC000603015736 568051829 /nfs/dbraw/zinc/05/18/29/568051829.db2.gz KSCVKVZTXZGXFR-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCCc2ccc3c(c2)CCCC3)n[n-]1 ZINC000603023362 568052691 /nfs/dbraw/zinc/05/26/91/568052691.db2.gz RQGSLFGFFSVMPN-UHFFFAOYSA-N -1 1 370.453 2.499 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCCc2ccc3c(c2)CCCC3)n1 ZINC000603023362 568052692 /nfs/dbraw/zinc/05/26/92/568052692.db2.gz RQGSLFGFFSVMPN-UHFFFAOYSA-N -1 1 370.453 2.499 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)n[n-]1 ZINC000603155468 568068556 /nfs/dbraw/zinc/06/85/56/568068556.db2.gz NKHISAURUFUUGU-VGSLSFOHSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)[n-]1 ZINC000603155468 568068557 /nfs/dbraw/zinc/06/85/57/568068557.db2.gz NKHISAURUFUUGU-VGSLSFOHSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)n1 ZINC000603155468 568068558 /nfs/dbraw/zinc/06/85/58/568068558.db2.gz NKHISAURUFUUGU-VGSLSFOHSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)n[n-]1 ZINC000603156674 568068740 /nfs/dbraw/zinc/06/87/40/568068740.db2.gz SIYNCIKVYWYJFV-LLVKDONJSA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)[n-]1 ZINC000603156674 568068741 /nfs/dbraw/zinc/06/87/41/568068741.db2.gz SIYNCIKVYWYJFV-LLVKDONJSA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)n1 ZINC000603156674 568068742 /nfs/dbraw/zinc/06/87/42/568068742.db2.gz SIYNCIKVYWYJFV-LLVKDONJSA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)n[n-]1 ZINC000603166861 568070320 /nfs/dbraw/zinc/07/03/20/568070320.db2.gz SDFJJRQQSQQRPZ-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)[n-]1 ZINC000603166861 568070321 /nfs/dbraw/zinc/07/03/21/568070321.db2.gz SDFJJRQQSQQRPZ-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)n1 ZINC000603166861 568070322 /nfs/dbraw/zinc/07/03/22/568070322.db2.gz SDFJJRQQSQQRPZ-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603301370 568086717 /nfs/dbraw/zinc/08/67/17/568086717.db2.gz GOJHGUWTRJUOOH-FZMZJTMJSA-N -1 1 371.446 2.088 20 0 FEADMM COCC1(S(=O)(=O)[N-]c2cc(Cl)c(F)c(C(=O)OC)c2)CC1 ZINC000603417786 568098747 /nfs/dbraw/zinc/09/87/47/568098747.db2.gz BCCOPMBUAVBXBR-UHFFFAOYSA-N -1 1 351.783 2.186 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nccn3c2)o1 ZINC000603882316 568176531 /nfs/dbraw/zinc/17/65/31/568176531.db2.gz QASIGLWGHAZKAJ-UHFFFAOYSA-N -1 1 362.411 2.256 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000603974255 568189038 /nfs/dbraw/zinc/18/90/38/568189038.db2.gz GPEKOMCXAHVKFZ-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)c1 ZINC000604478072 568299843 /nfs/dbraw/zinc/29/98/43/568299843.db2.gz QMYARAALLMTLHJ-UHFFFAOYSA-N -1 1 362.407 2.257 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC3(CCC3)OC[C@@H]2C)c(=O)[n-]1 ZINC000617950342 568324003 /nfs/dbraw/zinc/32/40/03/568324003.db2.gz CJPOYQBAMDQQNI-NSHDSACASA-N -1 1 351.472 2.315 20 0 FEADMM C[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1ccc(F)c(Br)c1 ZINC000643251797 568345186 /nfs/dbraw/zinc/34/51/86/568345186.db2.gz YWNIRWNWIAFZBJ-MRVPVSSYSA-N -1 1 368.210 2.400 20 0 FEADMM CN(C)C(=O)C1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000736746657 598829744 /nfs/dbraw/zinc/82/97/44/598829744.db2.gz NEZZISLKLQGEAE-UHFFFAOYSA-N -1 1 355.855 2.037 20 0 FEADMM CN(C)C(=O)C1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000736746657 598829745 /nfs/dbraw/zinc/82/97/45/598829745.db2.gz NEZZISLKLQGEAE-UHFFFAOYSA-N -1 1 355.855 2.037 20 0 FEADMM Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737321391 598843823 /nfs/dbraw/zinc/84/38/23/598843823.db2.gz FCWCWQYBVVKHOR-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737321391 598843825 /nfs/dbraw/zinc/84/38/25/598843825.db2.gz FCWCWQYBVVKHOR-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ncoc2C)c1-c1nn[n-]n1 ZINC000737503380 598846583 /nfs/dbraw/zinc/84/65/83/598846583.db2.gz IOJXOPQAPKNKER-UHFFFAOYSA-N -1 1 365.353 2.014 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCOCC1 ZINC000738112257 598888891 /nfs/dbraw/zinc/88/88/91/598888891.db2.gz NZUJZTHIHDEXKP-UHFFFAOYSA-N -1 1 370.438 2.137 20 0 FEADMM CC1N=NC(=S)N1c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000807171606 674407759 /nfs/dbraw/zinc/40/77/59/674407759.db2.gz YFXLZXNBYDTHAT-UHFFFAOYSA-N -1 1 354.391 2.391 20 0 FEADMM O=C1CCCCCN1CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738302564 598956706 /nfs/dbraw/zinc/95/67/06/598956706.db2.gz YCNHVZGINVTHRH-UHFFFAOYSA-N -1 1 366.429 2.015 20 0 FEADMM O=C1CCCCCN1CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738302564 598956708 /nfs/dbraw/zinc/95/67/08/598956708.db2.gz YCNHVZGINVTHRH-UHFFFAOYSA-N -1 1 366.429 2.015 20 0 FEADMM O=C1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CN1c1ccccc1 ZINC000738301044 598962418 /nfs/dbraw/zinc/96/24/18/598962418.db2.gz IMMLALRYKKPABL-LBPRGKRZSA-N -1 1 372.392 2.027 20 0 FEADMM O=C1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CN1c1ccccc1 ZINC000738301044 598962419 /nfs/dbraw/zinc/96/24/19/598962419.db2.gz IMMLALRYKKPABL-LBPRGKRZSA-N -1 1 372.392 2.027 20 0 FEADMM O[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000738385305 598975512 /nfs/dbraw/zinc/97/55/12/598975512.db2.gz HFLPCUQXKBQMQO-SSDOTTSWSA-N -1 1 358.761 2.400 20 0 FEADMM O[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000738385305 598975514 /nfs/dbraw/zinc/97/55/14/598975514.db2.gz HFLPCUQXKBQMQO-SSDOTTSWSA-N -1 1 358.761 2.400 20 0 FEADMM CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736603260 598980173 /nfs/dbraw/zinc/98/01/73/598980173.db2.gz MLEZJSAGWCKTLK-UHFFFAOYSA-N -1 1 372.410 2.315 20 0 FEADMM CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736603260 598980174 /nfs/dbraw/zinc/98/01/74/598980174.db2.gz MLEZJSAGWCKTLK-UHFFFAOYSA-N -1 1 372.410 2.315 20 0 FEADMM CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736488981 598981857 /nfs/dbraw/zinc/98/18/57/598981857.db2.gz ROZPKOHZTSRDNA-UHFFFAOYSA-N -1 1 352.354 2.081 20 0 FEADMM CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736488981 598981860 /nfs/dbraw/zinc/98/18/60/598981860.db2.gz ROZPKOHZTSRDNA-UHFFFAOYSA-N -1 1 352.354 2.081 20 0 FEADMM CCOc1ccc(OCC)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736650115 598983462 /nfs/dbraw/zinc/98/34/62/598983462.db2.gz AISSHGOZCTUWDG-UHFFFAOYSA-N -1 1 354.370 2.311 20 0 FEADMM CCOc1ccc(OCC)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736650115 598983463 /nfs/dbraw/zinc/98/34/63/598983463.db2.gz AISSHGOZCTUWDG-UHFFFAOYSA-N -1 1 354.370 2.311 20 0 FEADMM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736327283 598995492 /nfs/dbraw/zinc/99/54/92/598995492.db2.gz QCQKEIWVOLBMPO-NSHDSACASA-N -1 1 365.397 2.042 20 0 FEADMM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736327283 598995494 /nfs/dbraw/zinc/99/54/94/598995494.db2.gz QCQKEIWVOLBMPO-NSHDSACASA-N -1 1 365.397 2.042 20 0 FEADMM COc1ccc(CC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737085833 598999337 /nfs/dbraw/zinc/99/93/37/598999337.db2.gz BWRGWMFVBZDGKE-LBPRGKRZSA-N -1 1 352.398 2.021 20 0 FEADMM COc1ccc(CC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737085833 598999338 /nfs/dbraw/zinc/99/93/38/598999338.db2.gz BWRGWMFVBZDGKE-LBPRGKRZSA-N -1 1 352.398 2.021 20 0 FEADMM CSc1cc2c(cc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)OCCO2 ZINC000737192514 599000285 /nfs/dbraw/zinc/00/02/85/599000285.db2.gz JTUJACAUCGAFLY-UHFFFAOYSA-N -1 1 370.394 2.007 20 0 FEADMM CSc1cc2c(cc1NC(=O)c1ccc(-c3nn[n-]n3)nc1)OCCO2 ZINC000737192514 599000288 /nfs/dbraw/zinc/00/02/88/599000288.db2.gz JTUJACAUCGAFLY-UHFFFAOYSA-N -1 1 370.394 2.007 20 0 FEADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737613899 599021499 /nfs/dbraw/zinc/02/14/99/599021499.db2.gz QMFRWLKRAUGWFW-MRXNPFEDSA-N -1 1 351.414 2.358 20 0 FEADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737613899 599021500 /nfs/dbraw/zinc/02/15/00/599021500.db2.gz QMFRWLKRAUGWFW-MRXNPFEDSA-N -1 1 351.414 2.358 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000738259477 599024803 /nfs/dbraw/zinc/02/48/03/599024803.db2.gz QCMMWSWYSNOPRK-OAHLLOKOSA-N -1 1 370.800 2.129 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000738259477 599024806 /nfs/dbraw/zinc/02/48/06/599024806.db2.gz QCMMWSWYSNOPRK-OAHLLOKOSA-N -1 1 370.800 2.129 20 0 FEADMM O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000738218928 599029089 /nfs/dbraw/zinc/02/90/89/599029089.db2.gz IYRAWBHCDDUNOI-LLVKDONJSA-N -1 1 369.406 2.138 20 0 FEADMM Cc1ccccc1CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737428124 599031430 /nfs/dbraw/zinc/03/14/30/599031430.db2.gz KKEPVXUTLKULMC-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM Cc1ccccc1CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737428124 599031432 /nfs/dbraw/zinc/03/14/32/599031432.db2.gz KKEPVXUTLKULMC-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc2ccccc21 ZINC000738219480 599138020 /nfs/dbraw/zinc/13/80/20/599138020.db2.gz KZLFURJAQGTKGP-UHFFFAOYSA-N -1 1 359.345 2.455 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc2ccccc21 ZINC000738219480 599138022 /nfs/dbraw/zinc/13/80/22/599138022.db2.gz KZLFURJAQGTKGP-UHFFFAOYSA-N -1 1 359.345 2.455 20 0 FEADMM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736677372 599138728 /nfs/dbraw/zinc/13/87/28/599138728.db2.gz ITWBYDPZPRZVBI-LLVKDONJSA-N -1 1 351.366 2.252 20 0 FEADMM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736677372 599138730 /nfs/dbraw/zinc/13/87/30/599138730.db2.gz ITWBYDPZPRZVBI-LLVKDONJSA-N -1 1 351.366 2.252 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccccc1Cl ZINC000736157816 599140569 /nfs/dbraw/zinc/14/05/69/599140569.db2.gz NFBHQMYDLGYUIR-VIFPVBQESA-N -1 1 372.772 2.099 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccccc1Cl ZINC000736157816 599140570 /nfs/dbraw/zinc/14/05/70/599140570.db2.gz NFBHQMYDLGYUIR-VIFPVBQESA-N -1 1 372.772 2.099 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000740079072 597039645 /nfs/dbraw/zinc/03/96/45/597039645.db2.gz DWYZZBHBACLLRH-UHFFFAOYSA-N -1 1 360.458 2.266 20 0 FEADMM COc1ccc(C(=O)N2CCCC2)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821770483 607314450 /nfs/dbraw/zinc/31/44/50/607314450.db2.gz VCYKAXOOYZDANZ-UHFFFAOYSA-N -1 1 368.397 2.316 20 0 FEADMM COc1ccc(C(=O)N2CCCC2)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821770483 607314451 /nfs/dbraw/zinc/31/44/51/607314451.db2.gz VCYKAXOOYZDANZ-UHFFFAOYSA-N -1 1 368.397 2.316 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000820677258 597718251 /nfs/dbraw/zinc/71/82/51/597718251.db2.gz CAGMERBDXAXAOV-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM CC(C)OCCCC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707936 674424947 /nfs/dbraw/zinc/42/49/47/674424947.db2.gz DPUNSDLSSAGTDA-OBJOEFQTSA-N -1 1 352.397 2.496 20 0 FEADMM CC[C@H]1CC[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807708225 674425039 /nfs/dbraw/zinc/42/50/39/674425039.db2.gz NSSOFFKYCNDECS-VLJOUNFMSA-N -1 1 350.381 2.248 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000823483151 607324584 /nfs/dbraw/zinc/32/45/84/607324584.db2.gz DFGORQKYXKEZTJ-LBPRGKRZSA-N -1 1 359.411 2.343 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000823483151 607324585 /nfs/dbraw/zinc/32/45/85/607324585.db2.gz DFGORQKYXKEZTJ-LBPRGKRZSA-N -1 1 359.411 2.343 20 0 FEADMM Cc1cccc2nc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)cn21 ZINC000737418082 599290054 /nfs/dbraw/zinc/29/00/54/599290054.db2.gz MEBFTSCZDHXQOM-UHFFFAOYSA-N -1 1 357.377 2.186 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](NCc3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000263440053 598192682 /nfs/dbraw/zinc/19/26/82/598192682.db2.gz WBRFZHQSZGODHN-GOSISDBHSA-N -1 1 370.405 2.297 20 0 FEADMM COc1ccc(-c2nc(Cn3ccc(C)c(-c4nn[n-]n4)c3=O)co2)cc1 ZINC000821732774 607347872 /nfs/dbraw/zinc/34/78/72/607347872.db2.gz UAMVSRFSWOLNBS-UHFFFAOYSA-N -1 1 364.365 2.049 20 0 FEADMM Fc1cccc(Sc2nnnn2Cc2cccs2)c1-c1nn[n-]n1 ZINC000737665492 598236054 /nfs/dbraw/zinc/23/60/54/598236054.db2.gz QSOIYGQAGDOARQ-UHFFFAOYSA-N -1 1 360.403 2.253 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338859 598260066 /nfs/dbraw/zinc/26/00/66/598260066.db2.gz JXZMNEODMMKDQE-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338859 598260067 /nfs/dbraw/zinc/26/00/67/598260067.db2.gz JXZMNEODMMKDQE-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736626524 598330566 /nfs/dbraw/zinc/33/05/66/598330566.db2.gz RIADQHYAPSQRJJ-UHFFFAOYSA-N -1 1 359.411 2.204 20 0 FEADMM CCOc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1OC(F)F ZINC000736626443 598345666 /nfs/dbraw/zinc/34/56/66/598345666.db2.gz TWWSEPHOANBTDE-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM CCOc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1OC(F)F ZINC000736626443 598345668 /nfs/dbraw/zinc/34/56/68/598345668.db2.gz TWWSEPHOANBTDE-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802013 674430195 /nfs/dbraw/zinc/43/01/95/674430195.db2.gz LZDLUIZLWNWREX-GRLWGSQLSA-N -1 1 362.392 2.296 20 0 FEADMM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000737317062 598404758 /nfs/dbraw/zinc/40/47/58/598404758.db2.gz JPQIFDRTSSSSLM-NSHDSACASA-N -1 1 355.402 2.185 20 0 FEADMM Cc1oc(NC(=O)[C@@H](C)N2Cc3ccccc3C2)c(-c2nn[n-]n2)c1C ZINC000737553918 598429436 /nfs/dbraw/zinc/42/94/36/598429436.db2.gz XXVHVZHNFWZRCC-LLVKDONJSA-N -1 1 352.398 2.419 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737388770 598577687 /nfs/dbraw/zinc/57/76/87/598577687.db2.gz FHUQXKSLWVVJCP-LBPRGKRZSA-N -1 1 374.832 2.384 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737388770 598577688 /nfs/dbraw/zinc/57/76/88/598577688.db2.gz FHUQXKSLWVVJCP-LBPRGKRZSA-N -1 1 374.832 2.384 20 0 FEADMM CCN(c1ccccc1F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736564586 598663543 /nfs/dbraw/zinc/66/35/43/598663543.db2.gz IQDKOQIEQFFJEX-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000808112924 674441800 /nfs/dbraw/zinc/44/18/00/674441800.db2.gz QAGFLOUJUGTIKU-UHFFFAOYSA-N -1 1 369.805 2.269 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cccc(OCC(F)(F)F)c1 ZINC000738372092 598676295 /nfs/dbraw/zinc/67/62/95/598676295.db2.gz NSKITHGSXMTYQA-UHFFFAOYSA-N -1 1 351.288 2.018 20 0 FEADMM CC(C)N(Cc1ccco1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735873860 598692837 /nfs/dbraw/zinc/69/28/37/598692837.db2.gz AGUHFIRUJZAVLD-UHFFFAOYSA-N -1 1 365.390 2.198 20 0 FEADMM C[C@H]1Cc2ccccc2[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295901 598712130 /nfs/dbraw/zinc/71/21/30/598712130.db2.gz BGZAJCLFDAMJIN-QFYYESIMSA-N -1 1 373.413 2.218 20 0 FEADMM Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)oc1C ZINC000737479965 598721578 /nfs/dbraw/zinc/72/15/78/598721578.db2.gz GKHAFUAAJCYAFX-UHFFFAOYSA-N -1 1 356.773 2.488 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)cc1Cl ZINC000808121055 674442327 /nfs/dbraw/zinc/44/23/27/674442327.db2.gz WKOQSHRYBAKZSC-UHFFFAOYSA-N -1 1 369.826 2.367 20 0 FEADMM CCOc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)cc1 ZINC000821417098 599308845 /nfs/dbraw/zinc/30/88/45/599308845.db2.gz JBANILWGYFDREI-UKTHLTGXSA-N -1 1 351.322 2.203 20 0 FEADMM CCOc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)cc1 ZINC000821417098 599308847 /nfs/dbraw/zinc/30/88/47/599308847.db2.gz JBANILWGYFDREI-UKTHLTGXSA-N -1 1 351.322 2.203 20 0 FEADMM CCOc1ccccc1C1=NC(=Cc2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC000821431746 599309264 /nfs/dbraw/zinc/30/92/64/599309264.db2.gz YRFVQAYTCAJSLS-FMIVXFBMSA-N -1 1 351.322 2.203 20 0 FEADMM CCOc1ccccc1C1=NC(=Cc2ccc(-c3nn[n-]n3)o2)C(=O)O1 ZINC000821431746 599309267 /nfs/dbraw/zinc/30/92/67/599309267.db2.gz YRFVQAYTCAJSLS-FMIVXFBMSA-N -1 1 351.322 2.203 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821970726 599330162 /nfs/dbraw/zinc/33/01/62/599330162.db2.gz RHBWNSDLORCFOJ-GIPNMCIBSA-N -1 1 374.470 2.482 20 0 FEADMM C[C@H](c1ccco1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820570391 599339563 /nfs/dbraw/zinc/33/95/63/599339563.db2.gz JAZULVJZDATFGH-SECBINFHSA-N -1 1 367.818 2.495 20 0 FEADMM C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820826073 599342058 /nfs/dbraw/zinc/34/20/58/599342058.db2.gz IRIDVLUHMBYHCD-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820826073 599342061 /nfs/dbraw/zinc/34/20/61/599342061.db2.gz IRIDVLUHMBYHCD-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820813214 599354535 /nfs/dbraw/zinc/35/45/35/599354535.db2.gz BFFJHLAMPWDGNZ-NSHDSACASA-N -1 1 373.413 2.141 20 0 FEADMM C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820813214 599354536 /nfs/dbraw/zinc/35/45/36/599354536.db2.gz BFFJHLAMPWDGNZ-NSHDSACASA-N -1 1 373.413 2.141 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000822534937 599426260 /nfs/dbraw/zinc/42/62/60/599426260.db2.gz CUDOYKCPPAZGHM-LLVKDONJSA-N -1 1 372.429 2.086 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000822534937 599426263 /nfs/dbraw/zinc/42/62/63/599426263.db2.gz CUDOYKCPPAZGHM-LLVKDONJSA-N -1 1 372.429 2.086 20 0 FEADMM OC[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC000823706709 599473639 /nfs/dbraw/zinc/47/36/39/599473639.db2.gz NXSKUWKCMLMBJM-NSHDSACASA-N -1 1 362.796 2.317 20 0 FEADMM OC[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC000823706709 599473640 /nfs/dbraw/zinc/47/36/40/599473640.db2.gz NXSKUWKCMLMBJM-NSHDSACASA-N -1 1 362.796 2.317 20 0 FEADMM CCOC(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821335079 599479518 /nfs/dbraw/zinc/47/95/18/599479518.db2.gz XMOJJPGYEXPLNU-GFCCVEGCSA-N -1 1 367.413 2.130 20 0 FEADMM CCOC(=O)N[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821335079 599479521 /nfs/dbraw/zinc/47/95/21/599479521.db2.gz XMOJJPGYEXPLNU-GFCCVEGCSA-N -1 1 367.413 2.130 20 0 FEADMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1c1ccccc1 ZINC000823511955 599548478 /nfs/dbraw/zinc/54/84/78/599548478.db2.gz JOEIKVYRPNFQHH-INIZCTEOSA-N -1 1 371.404 2.054 20 0 FEADMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1c1ccccc1 ZINC000823511955 599548479 /nfs/dbraw/zinc/54/84/79/599548479.db2.gz JOEIKVYRPNFQHH-INIZCTEOSA-N -1 1 371.404 2.054 20 0 FEADMM Cc1oc(NC(=O)CN2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822549421 599641640 /nfs/dbraw/zinc/64/16/40/599641640.db2.gz ZZLFCFCWOZLCQC-UHFFFAOYSA-N -1 1 374.445 2.050 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)CCNC(=O)[O-])CC1 ZINC000737123626 599710749 /nfs/dbraw/zinc/71/07/49/599710749.db2.gz YQOSXTVVMMRQSD-UHFFFAOYSA-N -1 1 354.838 2.078 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)CCCNC(=O)[O-])CC1 ZINC000737122084 599710790 /nfs/dbraw/zinc/71/07/90/599710790.db2.gz HRGGJCLAOBBSPT-UHFFFAOYSA-N -1 1 368.865 2.468 20 0 FEADMM CN1CCN(C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)c2ccccc2)CC1 ZINC000737526569 599749292 /nfs/dbraw/zinc/74/92/92/599749292.db2.gz UOAGIQXJGRYNBI-HNNXBMFYSA-N -1 1 373.478 2.165 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(C(=O)[O-])s1 ZINC000737680370 599813591 /nfs/dbraw/zinc/81/35/91/599813591.db2.gz IFHCAHYAFIPXPH-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM COC(=O)N1CCC[C@@H](Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)C1 ZINC000737632746 599843236 /nfs/dbraw/zinc/84/32/36/599843236.db2.gz IHVASEUVMOPTNX-SNVBAGLBSA-N -1 1 364.427 2.071 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCCO[C@H](c2ccccc2)C1 ZINC000736204177 599893926 /nfs/dbraw/zinc/89/39/26/599893926.db2.gz HCBYSKOURQLNDB-YJBOKZPZSA-N -1 1 360.454 2.162 20 0 FEADMM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1 ZINC000739742568 599924315 /nfs/dbraw/zinc/92/43/15/599924315.db2.gz NLCRFVQDRLLENE-UHFFFAOYSA-N -1 1 363.395 2.008 20 0 FEADMM CC(C)(NCC(=O)NCc1ccccc1COc1ccccc1)C(=O)[O-] ZINC000736339210 599925986 /nfs/dbraw/zinc/92/59/86/599925986.db2.gz GEJUVVFTXGEVOM-UHFFFAOYSA-N -1 1 356.422 2.335 20 0 FEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000676214052 599939915 /nfs/dbraw/zinc/93/99/15/599939915.db2.gz OJZWBHLZQRTJHI-IBGZPJMESA-N -1 1 368.433 2.244 20 0 FEADMM O=C([O-])c1ccc(OCCNS(=O)(=O)c2c(F)cccc2F)cc1 ZINC000740167801 599940423 /nfs/dbraw/zinc/94/04/23/599940423.db2.gz INQIRADKGZHTIY-UHFFFAOYSA-N -1 1 357.334 2.020 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCc3ccc(O)cc3CC2)cc1 ZINC000740024860 599962531 /nfs/dbraw/zinc/96/25/31/599962531.db2.gz MBMMNJQVDCJQQC-UHFFFAOYSA-N -1 1 369.421 2.199 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000738516737 599969012 /nfs/dbraw/zinc/96/90/12/599969012.db2.gz ASKWMVNYIPMARS-HUUCEWRRSA-N -1 1 371.441 2.024 20 0 FEADMM COc1ccccc1[C@H](C)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738120051 600046123 /nfs/dbraw/zinc/04/61/23/600046123.db2.gz KPZGUYRDWITURF-KBXCAEBGSA-N -1 1 368.433 2.384 20 0 FEADMM COc1ccc2c(Oc3ccc([N-]S(C)(=O)=O)nc3)ncnc2c1F ZINC000558031966 674480449 /nfs/dbraw/zinc/48/04/49/674480449.db2.gz TXJJCCBYKAGPNZ-UHFFFAOYSA-N -1 1 364.358 2.336 20 0 FEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806173 600065719 /nfs/dbraw/zinc/06/57/19/600065719.db2.gz CENBIKDQDBIFBS-JTDSTZFVSA-N -1 1 374.481 2.418 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000649461831 600079880 /nfs/dbraw/zinc/07/98/80/600079880.db2.gz ITGNSTJGAOFEPI-HZPDHXFCSA-N -1 1 359.426 2.160 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000736280589 600092567 /nfs/dbraw/zinc/09/25/67/600092567.db2.gz HFDWTKTVDVHEQA-AWEZNQCLSA-N -1 1 350.415 2.363 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c(F)cc1F ZINC000740089961 600233370 /nfs/dbraw/zinc/23/33/70/600233370.db2.gz QCHOUZPZAGYNGO-UHFFFAOYSA-N -1 1 355.318 2.399 20 0 FEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736618349 600291054 /nfs/dbraw/zinc/29/10/54/600291054.db2.gz OIUFJLWWOAYSQU-GXTWGEPZSA-N -1 1 366.408 2.199 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCCc1ccc(Cl)cc1)CC2 ZINC000739277870 600296342 /nfs/dbraw/zinc/29/63/42/600296342.db2.gz JQRQELFTIBCVFD-OAHLLOKOSA-N -1 1 350.846 2.185 20 0 FEADMM Cc1cccc(OCCCNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738738240 600303488 /nfs/dbraw/zinc/30/34/88/600303488.db2.gz ZJVJSGDIGPYJIT-KRWDZBQOSA-N -1 1 360.454 2.067 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCCOc1cccc(Cl)c1)CC2 ZINC000739279401 600303835 /nfs/dbraw/zinc/30/38/35/600303835.db2.gz XSPLBUXXAZVNMB-HNNXBMFYSA-N -1 1 366.845 2.022 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)c1 ZINC000738356313 600310252 /nfs/dbraw/zinc/31/02/52/600310252.db2.gz WAHDRGGMLAYRGO-SFHVURJKSA-N -1 1 358.482 2.457 20 0 FEADMM CC[C@@H](C)CN(C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000736879997 600324374 /nfs/dbraw/zinc/32/43/74/600324374.db2.gz KSIGKAAYOIODAY-SECBINFHSA-N -1 1 356.444 2.458 20 0 FEADMM CC[C@H](C)CN(C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000736879452 600324808 /nfs/dbraw/zinc/32/48/08/600324808.db2.gz DJNZUGYGJJRRMM-VIFPVBQESA-N -1 1 356.444 2.458 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737358506 600347011 /nfs/dbraw/zinc/34/70/11/600347011.db2.gz NWODDNZHYNBUSH-CVEARBPZSA-N -1 1 363.433 2.325 20 0 FEADMM O=C([O-])CCOc1ccc(NC(=O)c2nnc3ccccc3c2O)cc1 ZINC000739739930 600361321 /nfs/dbraw/zinc/36/13/21/600361321.db2.gz QMAOHNCNJWPXIN-UHFFFAOYSA-N -1 1 353.334 2.441 20 0 FEADMM CCOC(=O)c1c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])sc2c1CCC2 ZINC000580569453 600375827 /nfs/dbraw/zinc/37/58/27/600375827.db2.gz QENPEEAYKZFYPV-SNVBAGLBSA-N -1 1 368.455 2.005 20 0 FEADMM CN(C(=O)CN1CC[C@@H](CNc2ccccn2)C1)c1ccccc1C(=O)[O-] ZINC000737324370 600471431 /nfs/dbraw/zinc/47/14/31/600471431.db2.gz PXZOGCONCSZMMC-HNNXBMFYSA-N -1 1 368.437 2.177 20 0 FEADMM CCN(CC)CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000737086261 600496610 /nfs/dbraw/zinc/49/66/10/600496610.db2.gz IVUIRVVINNEVHE-INIZCTEOSA-N -1 1 361.442 2.046 20 0 FEADMM C[C@@H](NC(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1)c1ccccc1Cl ZINC000736640219 600515716 /nfs/dbraw/zinc/51/57/16/600515716.db2.gz JQISVQQJKSDENS-KGLIPLIRSA-N -1 1 368.861 2.473 20 0 FEADMM CN(C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC000737324322 600515803 /nfs/dbraw/zinc/51/58/03/600515803.db2.gz OGGYGIOEUJRDPC-MJGOQNOKSA-N -1 1 374.481 2.478 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC000737529552 600526142 /nfs/dbraw/zinc/52/61/42/600526142.db2.gz LAXFZUORTBQFFO-UHFFFAOYSA-N -1 1 358.398 2.051 20 0 FEADMM O=C([O-])c1ccc(NC(=O)COC(=O)c2c(F)cc(O)cc2F)cc1 ZINC000739316722 600581524 /nfs/dbraw/zinc/58/15/24/600581524.db2.gz ZLBJQKIFCXPQMU-UHFFFAOYSA-N -1 1 351.261 2.164 20 0 FEADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000558231193 674488890 /nfs/dbraw/zinc/48/88/90/674488890.db2.gz KIZZOONGRJMPEE-UHFFFAOYSA-N -1 1 350.256 2.414 20 0 FEADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000558231193 674488893 /nfs/dbraw/zinc/48/88/93/674488893.db2.gz KIZZOONGRJMPEE-UHFFFAOYSA-N -1 1 350.256 2.414 20 0 FEADMM CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000592007453 600680558 /nfs/dbraw/zinc/68/05/58/600680558.db2.gz ZUKXDWOYGSTZPA-UHFFFAOYSA-N -1 1 357.775 2.126 20 0 FEADMM CCOC(=O)Cc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000609985960 600683837 /nfs/dbraw/zinc/68/38/37/600683837.db2.gz SCLMJDHDRKILPV-UHFFFAOYSA-N -1 1 369.420 2.353 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000831435445 600688313 /nfs/dbraw/zinc/68/83/13/600688313.db2.gz XGJNXSMTANPGNH-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1(C)C ZINC000737157898 600741846 /nfs/dbraw/zinc/74/18/46/600741846.db2.gz OTGHIVYFSMVOGA-KZNAEPCWSA-N -1 1 374.481 2.160 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000829119203 600748130 /nfs/dbraw/zinc/74/81/30/600748130.db2.gz NZWXPOHOMYOVRD-CQSZACIVSA-N -1 1 354.472 2.236 20 0 FEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC000830857394 600786233 /nfs/dbraw/zinc/78/62/33/600786233.db2.gz ZDYUGVJYEXOFHG-MRXNPFEDSA-N -1 1 374.462 2.280 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3csc(C(=O)[O-])c3)[nH]c2c1 ZINC000832958643 600791995 /nfs/dbraw/zinc/79/19/95/600791995.db2.gz DTHGEFINLQILSB-UHFFFAOYSA-N -1 1 351.409 2.110 20 0 FEADMM CC(C)[C@@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CCS1 ZINC000826741265 601038379 /nfs/dbraw/zinc/03/83/79/601038379.db2.gz ATAVLPLPDWGPCS-HNNXBMFYSA-N -1 1 351.472 2.466 20 0 FEADMM Cc1c(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)cccc1C(=O)[O-] ZINC000832856886 601080970 /nfs/dbraw/zinc/08/09/70/601080970.db2.gz BAPUPQFITNROKU-LLVKDONJSA-N -1 1 366.377 2.327 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000630222140 601095465 /nfs/dbraw/zinc/09/54/65/601095465.db2.gz DCQFCHUJDRWPJG-OAHLLOKOSA-N -1 1 356.422 2.226 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000630222301 601104995 /nfs/dbraw/zinc/10/49/95/601104995.db2.gz GJZOLDMNRBRZSP-NEPJUHHUSA-N -1 1 372.824 2.254 20 0 FEADMM C[C@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cn2)C[C@H](C)O1 ZINC000820775742 607491462 /nfs/dbraw/zinc/49/14/62/607491462.db2.gz JCLSDJUOTVKKPL-RYUDHWBXSA-N -1 1 355.402 2.080 20 0 FEADMM C[C@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cn2)C[C@H](C)O1 ZINC000820775742 607491463 /nfs/dbraw/zinc/49/14/63/607491463.db2.gz JCLSDJUOTVKKPL-RYUDHWBXSA-N -1 1 355.402 2.080 20 0 FEADMM Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000832941772 601156728 /nfs/dbraw/zinc/15/67/28/601156728.db2.gz YWPOLCKRHZXUIJ-QGZVFWFLSA-N -1 1 369.421 2.051 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC000826785814 601195945 /nfs/dbraw/zinc/19/59/45/601195945.db2.gz FIRGBJDEVXSUPK-QLFBSQMISA-N -1 1 368.499 2.252 20 0 FEADMM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000321498681 601264180 /nfs/dbraw/zinc/26/41/80/601264180.db2.gz ZRKYAAAHVVIZDJ-LBPRGKRZSA-N -1 1 360.863 2.143 20 0 FEADMM O=C([O-])c1ccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)s1 ZINC000833311655 601278681 /nfs/dbraw/zinc/27/86/81/601278681.db2.gz YJGBKSYKYLYUCW-UHFFFAOYSA-N -1 1 366.483 2.459 20 0 FEADMM O=C([O-])CC1(NC(=O)c2ccc(Nc3ccncc3)cc2)CCOCC1 ZINC000663122205 601328813 /nfs/dbraw/zinc/32/88/13/601328813.db2.gz CCGUGFGBAWOFOR-UHFFFAOYSA-N -1 1 355.394 2.001 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000830582215 601416967 /nfs/dbraw/zinc/41/69/67/601416967.db2.gz ZWXMORUDOMREHZ-HNNXBMFYSA-N -1 1 351.422 2.373 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3cc(F)c(F)c(C(=O)[O-])c3)cc12 ZINC000751143584 601484818 /nfs/dbraw/zinc/48/48/18/601484818.db2.gz ZNCMSLYVUXQGQE-UHFFFAOYSA-N -1 1 369.305 2.308 20 0 FEADMM CCC1CCC(NCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)(C(=O)[O-])CC1 ZINC000829101292 601494055 /nfs/dbraw/zinc/49/40/55/601494055.db2.gz NDTVZKSZAJAMPI-JGCRXCKMSA-N -1 1 374.481 2.316 20 0 FEADMM C[C@@H](CCO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824406693 607510679 /nfs/dbraw/zinc/51/06/79/607510679.db2.gz QCJNEDLNOTVXSP-NSHDSACASA-N -1 1 371.372 2.299 20 0 FEADMM C[C@@H](CCO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824406693 607510681 /nfs/dbraw/zinc/51/06/81/607510681.db2.gz QCJNEDLNOTVXSP-NSHDSACASA-N -1 1 371.372 2.299 20 0 FEADMM CCCCOC(=O)c1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000829401107 601521899 /nfs/dbraw/zinc/52/18/99/601521899.db2.gz CUFJZHVSGNEBNF-CJNGLKHVSA-N -1 1 362.426 2.235 20 0 FEADMM O=C([O-])[C@H]1c2ccccc2CCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000662232741 601544705 /nfs/dbraw/zinc/54/47/05/601544705.db2.gz JTZODZSELDRANU-XJKSGUPXSA-N -1 1 370.371 2.471 20 0 FEADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827940259 601614952 /nfs/dbraw/zinc/61/49/52/601614952.db2.gz GBNYGLSGZIVEHJ-LLVKDONJSA-N -1 1 366.414 2.364 20 0 FEADMM Cc1cc(CC(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)[nH]n1 ZINC000832884097 601681765 /nfs/dbraw/zinc/68/17/65/601681765.db2.gz WFTYPZMJYPHWIG-HNNXBMFYSA-N -1 1 366.215 2.139 20 0 FEADMM CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829618769 601780282 /nfs/dbraw/zinc/78/02/82/601780282.db2.gz HEUZYJGOBVVCIG-ZMSDIMECSA-N -1 1 368.499 2.194 20 0 FEADMM Cc1cccc(C)c1OCCNC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662218915 601843254 /nfs/dbraw/zinc/84/32/54/601843254.db2.gz XAYSIDUFSULMKN-UHFFFAOYSA-N -1 1 362.470 2.375 20 0 FEADMM Cc1ccc(N2C(=O)C[C@H](N3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1Cl ZINC000832936067 601850486 /nfs/dbraw/zinc/85/04/86/601850486.db2.gz WCVBMSSVSFYTJJ-GUYCJALGSA-N -1 1 350.802 2.077 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000635507668 601852930 /nfs/dbraw/zinc/85/29/30/601852930.db2.gz MAASHZQTDOZYFH-UHFFFAOYSA-N -1 1 368.437 2.244 20 0 FEADMM O=C([O-])c1cccc(N2CC(=O)N(CN3C[C@H]4CCCC[C@@H]4C3)C2=O)c1 ZINC000833329716 601882777 /nfs/dbraw/zinc/88/27/77/601882777.db2.gz IEOYSTYYXVSBRT-HUUCEWRRSA-N -1 1 357.410 2.233 20 0 FEADMM COC(=O)c1ccc(OCCN2CCSC[C@@H]2CC(=O)[O-])c(Cl)c1 ZINC000831440200 601893040 /nfs/dbraw/zinc/89/30/40/601893040.db2.gz UVTRFNKVSTZINP-LBPRGKRZSA-N -1 1 373.858 2.398 20 0 FEADMM COc1cc(OC)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000832030234 601913110 /nfs/dbraw/zinc/91/31/10/601913110.db2.gz IQVFUDCZYYHPGZ-MRXNPFEDSA-N -1 1 356.806 2.092 20 0 FEADMM CSc1ccc(CN(C)C(=O)CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000832777426 601925823 /nfs/dbraw/zinc/92/58/23/601925823.db2.gz MOVFNSPQMCKEJV-AWEZNQCLSA-N -1 1 368.524 2.259 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000828029238 601931730 /nfs/dbraw/zinc/93/17/30/601931730.db2.gz WVZLGTHXLOXZPT-SFHVURJKSA-N -1 1 359.451 2.370 20 0 FEADMM C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738632248 601955386 /nfs/dbraw/zinc/95/53/86/601955386.db2.gz RKWFCOKOYVLPNN-GHMZBOCLSA-N -1 1 357.357 2.205 20 0 FEADMM O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501167 607539988 /nfs/dbraw/zinc/53/99/88/607539988.db2.gz CQKSBPZECYLSRE-UHFFFAOYSA-N -1 1 374.191 2.327 20 0 FEADMM O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501167 607539989 /nfs/dbraw/zinc/53/99/89/607539989.db2.gz CQKSBPZECYLSRE-UHFFFAOYSA-N -1 1 374.191 2.327 20 0 FEADMM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824419599 607541874 /nfs/dbraw/zinc/54/18/74/607541874.db2.gz ADTLIWYIIXTPHG-SECBINFHSA-N -1 1 367.841 2.488 20 0 FEADMM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824419599 607541875 /nfs/dbraw/zinc/54/18/75/607541875.db2.gz ADTLIWYIIXTPHG-SECBINFHSA-N -1 1 367.841 2.488 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C12CCC2 ZINC000829917852 602058407 /nfs/dbraw/zinc/05/84/07/602058407.db2.gz JPPOURGRIJMUEP-LSDHHAIUSA-N -1 1 352.475 2.170 20 0 FEADMM O=C(c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000826474168 607548054 /nfs/dbraw/zinc/54/80/54/607548054.db2.gz DJQTZHLWSHKTOG-UHFFFAOYSA-N -1 1 363.425 2.500 20 0 FEADMM O=C(c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000826474168 607548055 /nfs/dbraw/zinc/54/80/55/607548055.db2.gz DJQTZHLWSHKTOG-UHFFFAOYSA-N -1 1 363.425 2.500 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1Cl ZINC000833303061 602226850 /nfs/dbraw/zinc/22/68/50/602226850.db2.gz GJVPLTZRHSRYAV-GFCCVEGCSA-N -1 1 355.803 2.117 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000831961841 602227019 /nfs/dbraw/zinc/22/70/19/602227019.db2.gz NLBNGAHYMJJNJM-YVEFUNNKSA-N -1 1 366.458 2.278 20 0 FEADMM CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000829659301 602228013 /nfs/dbraw/zinc/22/80/13/602228013.db2.gz YRGFICNLXOHSKG-MRXNPFEDSA-N -1 1 363.458 2.196 20 0 FEADMM CN(C[C@@H]1CCCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1)C(=O)[O-] ZINC000739636235 602398929 /nfs/dbraw/zinc/39/89/29/602398929.db2.gz ISTLWJSJZKONID-STQMWFEESA-N -1 1 365.396 2.109 20 0 FEADMM O=C([O-])NCCCNC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000740650759 602414276 /nfs/dbraw/zinc/41/42/76/602414276.db2.gz CBWJRARQLSJFJQ-OAHLLOKOSA-N -1 1 368.865 2.434 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000739020571 602449486 /nfs/dbraw/zinc/44/94/86/602449486.db2.gz BAXBNYFUHQSWLL-XXWNAHEMSA-N -1 1 363.502 2.440 20 0 FEADMM CN(CCCNC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000739679968 602492904 /nfs/dbraw/zinc/49/29/04/602492904.db2.gz LYXHTIZDDLHZMR-UHFFFAOYSA-N -1 1 355.192 2.055 20 0 FEADMM CCCC[C@H](C(=O)Nc1cc(C)on1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739334382 602532095 /nfs/dbraw/zinc/53/20/95/602532095.db2.gz YBGWYWWVZNOSRY-ZIAGYGMSSA-N -1 1 352.435 2.412 20 0 FEADMM O=S(=O)(NCCc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491573 607572223 /nfs/dbraw/zinc/57/22/23/607572223.db2.gz PXNYHCXBJQBKEE-UHFFFAOYSA-N -1 1 363.830 2.041 20 0 FEADMM O=S(=O)(NCCc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491573 607572225 /nfs/dbraw/zinc/57/22/25/607572225.db2.gz PXNYHCXBJQBKEE-UHFFFAOYSA-N -1 1 363.830 2.041 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccsc1 ZINC000737951556 602542122 /nfs/dbraw/zinc/54/21/22/602542122.db2.gz UKRRPVHXNFVBCT-AWEZNQCLSA-N -1 1 354.476 2.135 20 0 FEADMM O=S(=O)(N[C@H]1CCCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488675 607573941 /nfs/dbraw/zinc/57/39/41/607573941.db2.gz WGJLORKLBSDKMX-AWEZNQCLSA-N -1 1 373.413 2.362 20 0 FEADMM O=S(=O)(N[C@H]1CCCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488675 607573942 /nfs/dbraw/zinc/57/39/42/607573942.db2.gz WGJLORKLBSDKMX-AWEZNQCLSA-N -1 1 373.413 2.362 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739183706 602601438 /nfs/dbraw/zinc/60/14/38/602601438.db2.gz SMGMFVFKQIBWHQ-CHWSQXEVSA-N -1 1 350.419 2.397 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739651506 602610450 /nfs/dbraw/zinc/61/04/50/602610450.db2.gz QGUKOOCTEHAJCU-BBRMVZONSA-N -1 1 366.437 2.070 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)N1CCN2CCCC[C@H]2C1)C1CCCCC1 ZINC000740614705 602639780 /nfs/dbraw/zinc/63/97/80/602639780.db2.gz UOWBZLCBAQEHNW-JKSUJKDBSA-N -1 1 352.479 2.083 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739606613 602692156 /nfs/dbraw/zinc/69/21/56/602692156.db2.gz FNNYJDNNZZJYSA-CZUORRHYSA-N -1 1 366.437 2.118 20 0 FEADMM CN(C)[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1ccc(F)cc1 ZINC000739608613 602708088 /nfs/dbraw/zinc/70/80/88/602708088.db2.gz PNCLJMXRMLBYOR-CYBMUJFWSA-N -1 1 366.418 2.083 20 0 FEADMM O=C([O-])NCCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000740661802 602710977 /nfs/dbraw/zinc/71/09/77/602710977.db2.gz BBZCZGDABPKYKA-UHFFFAOYSA-N -1 1 368.865 2.119 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])C[C@H]2C)N2CCCC2)o1 ZINC000740119579 602749196 /nfs/dbraw/zinc/74/91/96/602749196.db2.gz XHZCYRRRFSVJAG-UKRRQHHQSA-N -1 1 364.446 2.119 20 0 FEADMM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000739155084 602753902 /nfs/dbraw/zinc/75/39/02/602753902.db2.gz RSKGXYOVAFLFKT-LSDHHAIUSA-N -1 1 364.446 2.200 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739176569 602762249 /nfs/dbraw/zinc/76/22/49/602762249.db2.gz NATSBVAXYVHCGN-XHBSWPGZSA-N -1 1 369.412 2.462 20 0 FEADMM C[C@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739176685 602793178 /nfs/dbraw/zinc/79/31/78/602793178.db2.gz UXDYXNAJMMICHA-LPHOPBHVSA-N -1 1 373.497 2.446 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c(O)c1 ZINC000740698605 602861869 /nfs/dbraw/zinc/86/18/69/602861869.db2.gz QSXFIKFOLNBCHM-UHFFFAOYSA-N -1 1 371.328 2.336 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c(O)c1 ZINC000740698605 602861873 /nfs/dbraw/zinc/86/18/73/602861873.db2.gz QSXFIKFOLNBCHM-UHFFFAOYSA-N -1 1 371.328 2.336 20 0 FEADMM COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739805660 602863639 /nfs/dbraw/zinc/86/36/39/602863639.db2.gz PPKCZBGLNWCKBM-UHFFFAOYSA-N -1 1 365.430 2.101 20 0 FEADMM Cc1nnc([C@H](C)NC(=O)c2cc(I)ccc2[O-])o1 ZINC000558719190 674512980 /nfs/dbraw/zinc/51/29/80/674512980.db2.gz RCUHXAPOPPUMSV-LURJTMIESA-N -1 1 373.150 2.179 20 0 FEADMM O=C([O-])N1CC[C@H](N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740505055 602875646 /nfs/dbraw/zinc/87/56/46/602875646.db2.gz JLYYJKWXXJFPOT-AAEUAGOBSA-N -1 1 357.332 2.153 20 0 FEADMM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000740571868 603026772 /nfs/dbraw/zinc/02/67/72/603026772.db2.gz FISDNZQNXSYJMA-IRXDYDNUSA-N -1 1 363.433 2.343 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1csc(-c2ccccn2)n1 ZINC000826467432 607604482 /nfs/dbraw/zinc/60/44/82/607604482.db2.gz VYYJZOODJLICLN-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1csc(-c2ccccn2)n1 ZINC000826467432 607604483 /nfs/dbraw/zinc/60/44/83/607604483.db2.gz VYYJZOODJLICLN-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM CC[C@H](C)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825067002 607604957 /nfs/dbraw/zinc/60/49/57/607604957.db2.gz GCTHHHKWKQNQRA-QMMMGPOBSA-N -1 1 363.365 2.305 20 0 FEADMM NC(=O)[C@H](NC1CCC(NC(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000740323219 603088975 /nfs/dbraw/zinc/08/89/75/603088975.db2.gz GWKKSLZBRSDBNS-WXRRBKDZSA-N -1 1 370.247 2.144 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)c(Cl)nc1Cl ZINC000826467206 607606234 /nfs/dbraw/zinc/60/62/34/607606234.db2.gz LPRNPELWHSJHAZ-UHFFFAOYSA-N -1 1 369.143 2.460 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)c(Cl)nc1Cl ZINC000826467206 607606236 /nfs/dbraw/zinc/60/62/36/607606236.db2.gz LPRNPELWHSJHAZ-UHFFFAOYSA-N -1 1 369.143 2.460 20 0 FEADMM C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000738996827 603132431 /nfs/dbraw/zinc/13/24/31/603132431.db2.gz SBZCECZNVCWFPD-GWCFXTLKSA-N -1 1 359.348 2.052 20 0 FEADMM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2cncc(F)c2)C1 ZINC000740529872 603182891 /nfs/dbraw/zinc/18/28/91/603182891.db2.gz OBPGRHGTCUYESS-UHFFFAOYSA-N -1 1 351.359 2.058 20 0 FEADMM O=C([O-])N1CC[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000831810244 603199090 /nfs/dbraw/zinc/19/90/90/603199090.db2.gz KQDRWTJSGHXBPO-SSDOTTSWSA-N -1 1 353.176 2.264 20 0 FEADMM C[C@H](C(=O)Nc1cccc(Br)c1)N(C)CCCNC(=O)[O-] ZINC000738633580 603252182 /nfs/dbraw/zinc/25/21/82/603252182.db2.gz ZZAYJINASYIVCK-SNVBAGLBSA-N -1 1 358.236 2.366 20 0 FEADMM O=C([O-])N[C@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)Cc1ccccc1 ZINC000832114116 603484619 /nfs/dbraw/zinc/48/46/19/603484619.db2.gz SLUJWBGNZNEWEJ-ZDUSSCGKSA-N -1 1 366.381 2.074 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNCc1nccn1CC(F)(F)F ZINC000826127216 603564893 /nfs/dbraw/zinc/56/48/93/603564893.db2.gz RWNZKNXGKRAYBK-UWVGGRQHSA-N -1 1 350.341 2.038 20 0 FEADMM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823685644 603624232 /nfs/dbraw/zinc/62/42/32/603624232.db2.gz LJUZEYOTNIQIOP-UKRRQHHQSA-N -1 1 363.458 2.241 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1ccsc1 ZINC000828200772 603688931 /nfs/dbraw/zinc/68/89/31/603688931.db2.gz ZRTNXXGGPQVERU-ZIAGYGMSSA-N -1 1 354.476 2.135 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccsc1 ZINC000827995104 603689062 /nfs/dbraw/zinc/68/90/62/603689062.db2.gz PVMDUBRFDVIZIQ-DKUMPPAJSA-N -1 1 366.487 2.323 20 0 FEADMM C[C@@H]1CCCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H]1CNC(=O)[O-] ZINC000825919022 603722516 /nfs/dbraw/zinc/72/25/16/603722516.db2.gz JACZFRVDBWUONU-JHJVBQTASA-N -1 1 365.396 2.155 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)N2CCCC2)o1 ZINC000830262167 603742308 /nfs/dbraw/zinc/74/23/08/603742308.db2.gz JDZPENRRRQTSMG-DZGCQCFKSA-N -1 1 364.446 2.119 20 0 FEADMM Cc1cc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)n(C(C)(C)C)n1 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/nfs/dbraw/zinc/01/25/75/606012575.db2.gz FFURJRUQVZKNKS-UHFFFAOYSA-N -1 1 354.384 2.344 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCCN(C(=O)[O-])CC2)c1 ZINC000833979616 606044074 /nfs/dbraw/zinc/04/40/74/606044074.db2.gz CLLBDVOURRZLFK-WBVHZDCISA-N -1 1 360.458 2.081 20 0 FEADMM COCc1nc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000810067232 674528849 /nfs/dbraw/zinc/52/88/49/674528849.db2.gz SOCLHYULXONYDQ-SNVBAGLBSA-N -1 1 351.394 2.180 20 0 FEADMM CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000819834115 606136885 /nfs/dbraw/zinc/13/68/85/606136885.db2.gz MBPCONXLAJAPHG-UHFFFAOYSA-N -1 1 373.394 2.115 20 0 FEADMM CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000819834115 606136887 /nfs/dbraw/zinc/13/68/87/606136887.db2.gz MBPCONXLAJAPHG-UHFFFAOYSA-N -1 1 373.394 2.115 20 0 FEADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000821648279 606140367 /nfs/dbraw/zinc/14/03/67/606140367.db2.gz FZRXWVFMZYALFJ-GFCCVEGCSA-N -1 1 362.342 2.138 20 0 FEADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000821648279 606140369 /nfs/dbraw/zinc/14/03/69/606140369.db2.gz FZRXWVFMZYALFJ-GFCCVEGCSA-N -1 1 362.342 2.138 20 0 FEADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820643054 606159607 /nfs/dbraw/zinc/15/96/07/606159607.db2.gz PJHHLMIPZNKGJL-GXTWGEPZSA-N -1 1 366.429 2.085 20 0 FEADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820643054 606159609 /nfs/dbraw/zinc/15/96/09/606159609.db2.gz PJHHLMIPZNKGJL-GXTWGEPZSA-N -1 1 366.429 2.085 20 0 FEADMM CO[C@@H](C)c1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cs1 ZINC000821675997 606172151 /nfs/dbraw/zinc/17/21/51/606172151.db2.gz YQNRYOGWTJXCHN-JTQLQIEISA-N -1 1 368.422 2.394 20 0 FEADMM Cc1ncoc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000822482579 606193258 /nfs/dbraw/zinc/19/32/58/606193258.db2.gz WXKDBCZMXIJBQT-UHFFFAOYSA-N -1 1 365.353 2.014 20 0 FEADMM Clc1ccc(N2CCC(OC[C@@H]3CCCO3)CC2)nc1-c1nnn[n-]1 ZINC000822574175 606230833 /nfs/dbraw/zinc/23/08/33/606230833.db2.gz PKNSLZBFVMDNQI-LBPRGKRZSA-N -1 1 364.837 2.080 20 0 FEADMM Clc1ccc(N2CCC(OC[C@@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC000822574175 606230834 /nfs/dbraw/zinc/23/08/34/606230834.db2.gz PKNSLZBFVMDNQI-LBPRGKRZSA-N -1 1 364.837 2.080 20 0 FEADMM CSc1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccn21 ZINC000821990478 606292880 /nfs/dbraw/zinc/29/28/80/606292880.db2.gz STZAEOZXWWVNKT-UHFFFAOYSA-N -1 1 367.394 2.194 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1Cc2cc(Cl)ccc2O1 ZINC000823294849 606293513 /nfs/dbraw/zinc/29/35/13/606293513.db2.gz UOJBWGARPPTPAO-CQSZACIVSA-N -1 1 357.757 2.168 20 0 FEADMM O=C1OCCN1Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000823551024 606412039 /nfs/dbraw/zinc/41/20/39/606412039.db2.gz CAOKVIORIDJKHN-UHFFFAOYSA-N -1 1 356.411 2.493 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C2CCCCC2)no1 ZINC000820392217 606440023 /nfs/dbraw/zinc/44/00/23/606440023.db2.gz SPTFRQVRNIMMDW-SNVBAGLBSA-N -1 1 368.401 2.183 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(C2CCCCC2)no1 ZINC000820392217 606440025 /nfs/dbraw/zinc/44/00/25/606440025.db2.gz SPTFRQVRNIMMDW-SNVBAGLBSA-N -1 1 368.401 2.183 20 0 FEADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000823707339 606467737 /nfs/dbraw/zinc/46/77/37/606467737.db2.gz ZZVNLCAZPHZEFI-SNVBAGLBSA-N -1 1 352.732 2.339 20 0 FEADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000823707339 606467739 /nfs/dbraw/zinc/46/77/39/606467739.db2.gz ZZVNLCAZPHZEFI-SNVBAGLBSA-N -1 1 352.732 2.339 20 0 FEADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821207312 606491737 /nfs/dbraw/zinc/49/17/37/606491737.db2.gz KUDJUMDHLMSRCW-NSHDSACASA-N -1 1 371.422 2.230 20 0 FEADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821207312 606491738 /nfs/dbraw/zinc/49/17/38/606491738.db2.gz KUDJUMDHLMSRCW-NSHDSACASA-N -1 1 371.422 2.230 20 0 FEADMM CCn1c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccccc21 ZINC000821563778 606496352 /nfs/dbraw/zinc/49/63/52/606496352.db2.gz FMLXOQOSUCKFFU-UHFFFAOYSA-N -1 1 353.411 2.228 20 0 FEADMM CCn1c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc21 ZINC000821563778 606496353 /nfs/dbraw/zinc/49/63/53/606496353.db2.gz FMLXOQOSUCKFFU-UHFFFAOYSA-N -1 1 353.411 2.228 20 0 FEADMM O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823250536 606510408 /nfs/dbraw/zinc/51/04/08/606510408.db2.gz ZXKWMAKNTJQHML-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250536 606510409 /nfs/dbraw/zinc/51/04/09/606510409.db2.gz ZXKWMAKNTJQHML-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821073436 606527685 /nfs/dbraw/zinc/52/76/85/606527685.db2.gz ZWQWEXJOXVCABN-LSDHHAIUSA-N -1 1 358.446 2.318 20 0 FEADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821073436 606527687 /nfs/dbraw/zinc/52/76/87/606527687.db2.gz ZWQWEXJOXVCABN-LSDHHAIUSA-N -1 1 358.446 2.318 20 0 FEADMM CC(C)c1nc([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000820203073 606546621 /nfs/dbraw/zinc/54/66/21/606546621.db2.gz PJOIWZOEEKBZCC-JTQLQIEISA-N -1 1 373.442 2.454 20 0 FEADMM CC(C)c1nc([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC000820203073 606546623 /nfs/dbraw/zinc/54/66/23/606546623.db2.gz PJOIWZOEEKBZCC-JTQLQIEISA-N -1 1 373.442 2.454 20 0 FEADMM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821616946 606558526 /nfs/dbraw/zinc/55/85/26/606558526.db2.gz PLMALGCSMBUYMW-UHFFFAOYSA-N -1 1 353.411 2.087 20 0 FEADMM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821616946 606558527 /nfs/dbraw/zinc/55/85/27/606558527.db2.gz PLMALGCSMBUYMW-UHFFFAOYSA-N -1 1 353.411 2.087 20 0 FEADMM CS(=O)(=O)c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000821937909 606620105 /nfs/dbraw/zinc/62/01/05/606620105.db2.gz SPLLQWCNDSINON-UHFFFAOYSA-N -1 1 374.407 2.049 20 0 FEADMM CS(=O)(=O)c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000821937909 606620108 /nfs/dbraw/zinc/62/01/08/606620108.db2.gz SPLLQWCNDSINON-UHFFFAOYSA-N -1 1 374.407 2.049 20 0 FEADMM Cc1cccc(OCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822328730 606648269 /nfs/dbraw/zinc/64/82/69/606648269.db2.gz RSFFNHANKCDVQK-UHFFFAOYSA-N -1 1 353.382 2.473 20 0 FEADMM Cc1cccc(OCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822328730 606648270 /nfs/dbraw/zinc/64/82/70/606648270.db2.gz RSFFNHANKCDVQK-UHFFFAOYSA-N -1 1 353.382 2.473 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823435895 606648419 /nfs/dbraw/zinc/64/84/19/606648419.db2.gz CWSOPPUBXWTZMC-NEPJUHHUSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823435895 606648420 /nfs/dbraw/zinc/64/84/20/606648420.db2.gz CWSOPPUBXWTZMC-NEPJUHHUSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(Cc1csc(-c2ccoc2)n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823118911 606649071 /nfs/dbraw/zinc/64/90/71/606649071.db2.gz VCPZLHOWWIXFPI-UHFFFAOYSA-N -1 1 368.378 2.264 20 0 FEADMM O=C(Cc1csc(-c2ccoc2)n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823118911 606649072 /nfs/dbraw/zinc/64/90/72/606649072.db2.gz VCPZLHOWWIXFPI-UHFFFAOYSA-N -1 1 368.378 2.264 20 0 FEADMM O=C(CSCc1ccc(F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823060927 606649189 /nfs/dbraw/zinc/64/91/89/606649189.db2.gz OQRYLSPCRKRTOA-UHFFFAOYSA-N -1 1 359.386 2.377 20 0 FEADMM O=C(CSCc1ccc(F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823060927 606649190 /nfs/dbraw/zinc/64/91/90/606649190.db2.gz OQRYLSPCRKRTOA-UHFFFAOYSA-N -1 1 359.386 2.377 20 0 FEADMM O=C(CCc1nc2ccccc2o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986357 606650497 /nfs/dbraw/zinc/65/04/97/606650497.db2.gz DXEMTLQXQGQGCA-UHFFFAOYSA-N -1 1 350.338 2.079 20 0 FEADMM O=C(CCc1nc2ccccc2o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986357 606650498 /nfs/dbraw/zinc/65/04/98/606650498.db2.gz DXEMTLQXQGQGCA-UHFFFAOYSA-N -1 1 350.338 2.079 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Br)cs1 ZINC000823436384 606652511 /nfs/dbraw/zinc/65/25/11/606652511.db2.gz SMPCLPFXFWXHMR-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Br)cs1 ZINC000823436384 606652512 /nfs/dbraw/zinc/65/25/12/606652512.db2.gz SMPCLPFXFWXHMR-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823436516 606653397 /nfs/dbraw/zinc/65/33/97/606653397.db2.gz ZAGJYTPDVMPIIQ-WDEREUQCSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823436516 606653398 /nfs/dbraw/zinc/65/33/98/606653398.db2.gz ZAGJYTPDVMPIIQ-WDEREUQCSA-N -1 1 357.320 2.387 20 0 FEADMM CC(C)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820068240 606737449 /nfs/dbraw/zinc/73/74/49/606737449.db2.gz PIODZFNQQHLHRI-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822196405 606763903 /nfs/dbraw/zinc/76/39/03/606763903.db2.gz IFHDABFLHVLCMV-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM CCc1nnc(Oc2ccc(C(=O)OC)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548603 606916558 /nfs/dbraw/zinc/91/65/58/606916558.db2.gz PSHZFXZLROGJHJ-UHFFFAOYSA-N -1 1 354.370 2.360 20 0 FEADMM CCc1nnc(Oc2ccc(C(=O)OC)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548603 606916560 /nfs/dbraw/zinc/91/65/60/606916560.db2.gz PSHZFXZLROGJHJ-UHFFFAOYSA-N -1 1 354.370 2.360 20 0 FEADMM C[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820728262 607047645 /nfs/dbraw/zinc/04/76/45/607047645.db2.gz UKCNTLDRWQKNMP-IUODEOHRSA-N -1 1 361.413 2.094 20 0 FEADMM C[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820728262 607047648 /nfs/dbraw/zinc/04/76/48/607047648.db2.gz UKCNTLDRWQKNMP-IUODEOHRSA-N -1 1 361.413 2.094 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000823383489 607103965 /nfs/dbraw/zinc/10/39/65/607103965.db2.gz SMUKYRKNNZEQIP-UHFFFAOYSA-N -1 1 370.423 2.050 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000823383489 607103966 /nfs/dbraw/zinc/10/39/66/607103966.db2.gz SMUKYRKNNZEQIP-UHFFFAOYSA-N -1 1 370.423 2.050 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820533246 607106285 /nfs/dbraw/zinc/10/62/85/607106285.db2.gz CQCRRLYTGVRIKU-LURJTMIESA-N -1 1 352.326 2.007 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820533246 607106286 /nfs/dbraw/zinc/10/62/86/607106286.db2.gz CQCRRLYTGVRIKU-LURJTMIESA-N -1 1 352.326 2.007 20 0 FEADMM O=C(CCc1nnc(-c2ccsc2)o1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822986362 607107186 /nfs/dbraw/zinc/10/71/86/607107186.db2.gz FKBPEQFNIUTHKT-UHFFFAOYSA-N -1 1 374.411 2.006 20 0 FEADMM O=C(CCc1nnc(-c2ccsc2)o1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822986362 607107189 /nfs/dbraw/zinc/10/71/89/607107189.db2.gz FKBPEQFNIUTHKT-UHFFFAOYSA-N -1 1 374.411 2.006 20 0 FEADMM O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372425 607140073 /nfs/dbraw/zinc/14/00/73/607140073.db2.gz CLENPGSGHKLTLZ-SNVBAGLBSA-N -1 1 357.395 2.348 20 0 FEADMM O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372425 607140075 /nfs/dbraw/zinc/14/00/75/607140075.db2.gz CLENPGSGHKLTLZ-SNVBAGLBSA-N -1 1 357.395 2.348 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000826340646 607825094 /nfs/dbraw/zinc/82/50/94/607825094.db2.gz GGBHGQCULWAQRP-LBPRGKRZSA-N -1 1 370.413 2.246 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000826340646 607825095 /nfs/dbraw/zinc/82/50/95/607825095.db2.gz GGBHGQCULWAQRP-LBPRGKRZSA-N -1 1 370.413 2.246 20 0 FEADMM CC(=O)c1ccccc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824029464 607865074 /nfs/dbraw/zinc/86/50/74/607865074.db2.gz LAUNOBHPYYABHM-UHFFFAOYSA-N -1 1 355.329 2.226 20 0 FEADMM CC(=O)c1ccccc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824029464 607865075 /nfs/dbraw/zinc/86/50/75/607865075.db2.gz LAUNOBHPYYABHM-UHFFFAOYSA-N -1 1 355.329 2.226 20 0 FEADMM C[C@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824480513 607865872 /nfs/dbraw/zinc/86/58/72/607865872.db2.gz XPRLJCSPYHAAKV-JTQLQIEISA-N -1 1 359.336 2.401 20 0 FEADMM C[C@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824480513 607865873 /nfs/dbraw/zinc/86/58/73/607865873.db2.gz XPRLJCSPYHAAKV-JTQLQIEISA-N -1 1 359.336 2.401 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826268027 607866718 /nfs/dbraw/zinc/86/67/18/607866718.db2.gz HEOUSZZACJXASW-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826268027 607866719 /nfs/dbraw/zinc/86/67/19/607866719.db2.gz HEOUSZZACJXASW-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=S(=O)(CCCOc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826484559 607867523 /nfs/dbraw/zinc/86/75/23/607867523.db2.gz HMGSWEHKOBGABI-UHFFFAOYSA-N -1 1 362.386 2.249 20 0 FEADMM O=S(=O)(CCCOc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826484559 607867524 /nfs/dbraw/zinc/86/75/24/607867524.db2.gz HMGSWEHKOBGABI-UHFFFAOYSA-N -1 1 362.386 2.249 20 0 FEADMM COc1ccc(OC)c([C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826211356 607875000 /nfs/dbraw/zinc/87/50/00/607875000.db2.gz YTOFLXSFJKQIBN-ZDUSSCGKSA-N -1 1 360.345 2.135 20 0 FEADMM COc1ccc(OC)c([C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826211356 607875001 /nfs/dbraw/zinc/87/50/01/607875001.db2.gz YTOFLXSFJKQIBN-ZDUSSCGKSA-N -1 1 360.345 2.135 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cn2)C[C@@H](C)O1 ZINC000824994868 607896528 /nfs/dbraw/zinc/89/65/28/607896528.db2.gz WFIUDHQAONJUCX-VXGBXAGGSA-N -1 1 352.402 2.014 20 0 FEADMM CC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825133098 607912363 /nfs/dbraw/zinc/91/23/63/607912363.db2.gz JCFDBMANDACMOZ-OLZOCXBDSA-N -1 1 370.413 2.246 20 0 FEADMM CC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825133098 607912364 /nfs/dbraw/zinc/91/23/64/607912364.db2.gz JCFDBMANDACMOZ-OLZOCXBDSA-N -1 1 370.413 2.246 20 0 FEADMM COc1ccc(C(F)(F)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826188867 607928725 /nfs/dbraw/zinc/92/87/25/607928725.db2.gz JCGIKNICOMRYLJ-UHFFFAOYSA-N -1 1 361.308 2.311 20 0 FEADMM O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506777 607937084 /nfs/dbraw/zinc/93/70/84/607937084.db2.gz BNMLTWLPKMSTMZ-UWVGGRQHSA-N -1 1 366.809 2.428 20 0 FEADMM O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826506777 607937085 /nfs/dbraw/zinc/93/70/85/607937085.db2.gz BNMLTWLPKMSTMZ-UWVGGRQHSA-N -1 1 366.809 2.428 20 0 FEADMM Cn1cc(-c2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000826356648 608001791 /nfs/dbraw/zinc/00/17/91/608001791.db2.gz ZTGJFWDMUQDPDB-UHFFFAOYSA-N -1 1 365.422 2.259 20 0 FEADMM Cn1cc(-c2ccccc2CNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000826356648 608001792 /nfs/dbraw/zinc/00/17/92/608001792.db2.gz ZTGJFWDMUQDPDB-UHFFFAOYSA-N -1 1 365.422 2.259 20 0 FEADMM COc1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)c(OC)c1 ZINC000826181590 608013539 /nfs/dbraw/zinc/01/35/39/608013539.db2.gz FYHXUUMBRFEBAJ-UHFFFAOYSA-N -1 1 369.410 2.252 20 0 FEADMM COc1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)c(OC)c1 ZINC000826181590 608013540 /nfs/dbraw/zinc/01/35/40/608013540.db2.gz FYHXUUMBRFEBAJ-UHFFFAOYSA-N -1 1 369.410 2.252 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2scnc2C2CC2)n1 ZINC000824148254 608028505 /nfs/dbraw/zinc/02/85/05/608028505.db2.gz PWHPSHBVLFTQTF-UHFFFAOYSA-N -1 1 358.431 2.404 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2scnc2C2CC2)n1 ZINC000824148254 608028506 /nfs/dbraw/zinc/02/85/06/608028506.db2.gz PWHPSHBVLFTQTF-UHFFFAOYSA-N -1 1 358.431 2.404 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000826467389 608060902 /nfs/dbraw/zinc/06/09/02/608060902.db2.gz UIFZHLCXLVLGLD-OAHLLOKOSA-N -1 1 351.366 2.123 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000826467389 608060903 /nfs/dbraw/zinc/06/09/03/608060903.db2.gz UIFZHLCXLVLGLD-OAHLLOKOSA-N -1 1 351.366 2.123 20 0 FEADMM CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000826067782 608101029 /nfs/dbraw/zinc/10/10/29/608101029.db2.gz KEKQHYVZUHGTDF-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000826067782 608101030 /nfs/dbraw/zinc/10/10/30/608101030.db2.gz KEKQHYVZUHGTDF-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM Fc1cc(N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)ccc1Cl ZINC000826372710 608150324 /nfs/dbraw/zinc/15/03/24/608150324.db2.gz IKZRGYBHTUPBTR-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Fc1cc(N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)ccc1Cl ZINC000826372710 608150325 /nfs/dbraw/zinc/15/03/25/608150325.db2.gz IKZRGYBHTUPBTR-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000826340777 608166942 /nfs/dbraw/zinc/16/69/42/608166942.db2.gz KPEPTBGZKYRIRM-YPMHNXCESA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000826340777 608166944 /nfs/dbraw/zinc/16/69/44/608166944.db2.gz KPEPTBGZKYRIRM-YPMHNXCESA-N -1 1 370.413 2.104 20 0 FEADMM c1cc(-c2nnn[n-]2)nc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000823868007 608194737 /nfs/dbraw/zinc/19/47/37/608194737.db2.gz MPZQGCJYOPZIGK-UHFFFAOYSA-N -1 1 362.393 2.327 20 0 FEADMM c1cc(-c2nn[n-]n2)nc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000823868007 608194739 /nfs/dbraw/zinc/19/47/39/608194739.db2.gz MPZQGCJYOPZIGK-UHFFFAOYSA-N -1 1 362.393 2.327 20 0 FEADMM Cc1oc(NC(=O)CN(Cc2ccccn2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826341433 608262532 /nfs/dbraw/zinc/26/25/32/608262532.db2.gz HSCBTDZDGHYEKR-UHFFFAOYSA-N -1 1 367.413 2.075 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc2n[nH]cc21 ZINC000826256025 608267815 /nfs/dbraw/zinc/26/78/15/608267815.db2.gz RZXNYRNEDAKCOX-UHFFFAOYSA-N -1 1 369.410 2.161 20 0 FEADMM O=C(OCc1cn2ccccc2c1-c1nn[nH]n1)c1ccc([O-])cc1F ZINC000826467716 608323471 /nfs/dbraw/zinc/32/34/71/608323471.db2.gz JITNJNZXPZVLOH-UHFFFAOYSA-N -1 1 353.313 2.321 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000824961587 608342185 /nfs/dbraw/zinc/34/21/85/608342185.db2.gz DJKNCKZFTXMBCO-ZJUUUORDSA-N -1 1 355.851 2.187 20 0 FEADMM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc2c(c1)OCCO2 ZINC000824198997 608391565 /nfs/dbraw/zinc/39/15/65/608391565.db2.gz FYHFCHAKVWSMKA-INIZCTEOSA-N -1 1 353.386 2.237 20 0 FEADMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc2c(c1)OCCO2 ZINC000824198997 608391567 /nfs/dbraw/zinc/39/15/67/608391567.db2.gz FYHFCHAKVWSMKA-INIZCTEOSA-N -1 1 353.386 2.237 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337658 608438809 /nfs/dbraw/zinc/43/88/09/608438809.db2.gz WDIGNAPQQLDWNR-MWLCHTKSSA-N -1 1 357.447 2.459 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337658 608438810 /nfs/dbraw/zinc/43/88/10/608438810.db2.gz WDIGNAPQQLDWNR-MWLCHTKSSA-N -1 1 357.447 2.459 20 0 FEADMM CCOC(=O)CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC000825518363 608514466 /nfs/dbraw/zinc/51/44/66/608514466.db2.gz YARNPTJMLDTBCB-UHFFFAOYSA-N -1 1 357.439 2.494 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824900956 608564951 /nfs/dbraw/zinc/56/49/51/608564951.db2.gz WXFQEJIIFVKQQQ-UEKVPHQBSA-N -1 1 365.434 2.348 20 0 FEADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824764862 608891387 /nfs/dbraw/zinc/89/13/87/608891387.db2.gz ZBXDJLKOZARRGC-NSHDSACASA-N -1 1 351.370 2.029 20 0 FEADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824764862 608891391 /nfs/dbraw/zinc/89/13/91/608891391.db2.gz ZBXDJLKOZARRGC-NSHDSACASA-N -1 1 351.370 2.029 20 0 FEADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1[C@@H](C)C1CC1 ZINC000826260643 609261679 /nfs/dbraw/zinc/26/16/79/609261679.db2.gz YQVIIIUULWKVOH-JTQLQIEISA-N -1 1 353.386 2.301 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826293798 609264444 /nfs/dbraw/zinc/26/44/44/609264444.db2.gz BQXAWLPRCISGOM-QGHHPUGFSA-N -1 1 352.398 2.064 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1-c1nn[n-]n1 ZINC000826293798 609264446 /nfs/dbraw/zinc/26/44/46/609264446.db2.gz BQXAWLPRCISGOM-QGHHPUGFSA-N -1 1 352.398 2.064 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC000826344890 609267208 /nfs/dbraw/zinc/26/72/08/609267208.db2.gz VRVTYBWUWNLBEW-FEAKQIBJSA-N -1 1 364.409 2.410 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000826344890 609267209 /nfs/dbraw/zinc/26/72/09/609267209.db2.gz VRVTYBWUWNLBEW-FEAKQIBJSA-N -1 1 364.409 2.410 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N([C@@H](C)C(C)C)C2CC2)cc1-c1nn[n-]n1 ZINC000826229983 609299040 /nfs/dbraw/zinc/29/90/40/609299040.db2.gz ZGLMLZRPOWATFT-VIFPVBQESA-N -1 1 362.459 2.338 20 0 FEADMM C[C@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824945521 609355707 /nfs/dbraw/zinc/35/57/07/609355707.db2.gz DJYIEYYWMNGINF-JTQLQIEISA-N -1 1 356.365 2.208 20 0 FEADMM C[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824420281 609358293 /nfs/dbraw/zinc/35/82/93/609358293.db2.gz GSISIGMAXCTYQA-SNVBAGLBSA-N -1 1 370.392 2.359 20 0 FEADMM C[C@H]1C[C@H](C)N(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824875319 609360430 /nfs/dbraw/zinc/36/04/30/609360430.db2.gz LJZYCGAENCLDEI-QWRGUYRKSA-N -1 1 370.392 2.454 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824897439 609566771 /nfs/dbraw/zinc/56/67/71/609566771.db2.gz AIECVZOIICONPU-GYSYKLTISA-N -1 1 365.434 2.348 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)c2)C1)C(F)(F)F ZINC000810902411 674567315 /nfs/dbraw/zinc/56/73/15/674567315.db2.gz IARUYJRDLOTRRL-NSHDSACASA-N -1 1 355.360 2.490 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccc(F)cc32)C1)C(F)(F)F ZINC000810905226 674567865 /nfs/dbraw/zinc/56/78/65/674567865.db2.gz RIBLMNQQUUEDKI-IINYFYTJSA-N -1 1 358.335 2.383 20 0 FEADMM CCOCCONC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000811163596 674584837 /nfs/dbraw/zinc/58/48/37/674584837.db2.gz SVONKZQJMSJOFM-UHFFFAOYSA-N -1 1 355.188 2.401 20 0 FEADMM Cn1[n-]c(COC(=O)c2sc3ccccc3c2Br)nc1=O ZINC000811386482 674599087 /nfs/dbraw/zinc/59/90/87/674599087.db2.gz SCNBSZIIUJVXMV-UHFFFAOYSA-N -1 1 368.212 2.443 20 0 FEADMM O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)c([O-])c1 ZINC000811570171 674614570 /nfs/dbraw/zinc/61/45/70/674614570.db2.gz FNUQOYOOZHYLLV-WFASDCNBSA-N -1 1 364.195 2.379 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N(Cc1ccccc1Cl)CC1CC1 ZINC000561094728 674636264 /nfs/dbraw/zinc/63/62/64/674636264.db2.gz LCECNAWNICEIJV-UHFFFAOYSA-N -1 1 357.801 2.123 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)N[C@H]2CCC(F)(F)C2)C1)C(F)(F)F ZINC000811894912 674636522 /nfs/dbraw/zinc/63/65/22/674636522.db2.gz DFYMYXGFWNUGJG-ZJUUUORDSA-N -1 1 357.323 2.274 20 0 FEADMM COc1csc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000812278231 674661679 /nfs/dbraw/zinc/66/16/79/674661679.db2.gz DOXZNYGEPGIKQI-VIFPVBQESA-N -1 1 350.362 2.287 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C(/C)c2ccc(F)cc2)c1 ZINC000812362930 674670153 /nfs/dbraw/zinc/67/01/53/674670153.db2.gz NKCOIMPFZIGURB-LUAWRHEFSA-N -1 1 364.398 2.481 20 0 FEADMM CCCOc1cccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000561975529 674712270 /nfs/dbraw/zinc/71/22/70/674712270.db2.gz MELHOBWHRZOIRE-UHFFFAOYSA-N -1 1 364.423 2.010 20 0 FEADMM Cc1nc2nc(S(=O)(=O)Cc3cccnc3)[n-]c2cc1Br ZINC000562227022 674730612 /nfs/dbraw/zinc/73/06/12/674730612.db2.gz NHKBEYOGGOOIHQ-UHFFFAOYSA-N -1 1 367.228 2.398 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)Cc3cccnc3)nc-2cc1Br ZINC000562227022 674730628 /nfs/dbraw/zinc/73/06/28/674730628.db2.gz NHKBEYOGGOOIHQ-UHFFFAOYSA-N -1 1 367.228 2.398 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn([C@H]2CCOC2)c1C)c1ccccc1 ZINC000562714870 674793411 /nfs/dbraw/zinc/79/34/11/674793411.db2.gz XCUNFLPULHMIOK-RDJZCZTQSA-N -1 1 365.455 2.282 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)C1CCCCC1 ZINC000562723702 674795409 /nfs/dbraw/zinc/79/54/09/674795409.db2.gz BUQBKSSHVJVAKC-IAGOWNOFSA-N -1 1 369.483 2.415 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000562779927 674806052 /nfs/dbraw/zinc/80/60/52/674806052.db2.gz PTFHNBUZKMUBGJ-UHFFFAOYSA-N -1 1 367.764 2.307 20 0 FEADMM O=C(COc1ccc(Cl)c(F)c1)OCCC[N-]C(=O)C(F)(F)F ZINC000815301102 674940040 /nfs/dbraw/zinc/94/00/40/674940040.db2.gz PXXHGKVIFYHUFU-UHFFFAOYSA-N -1 1 357.687 2.470 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000564347663 674999059 /nfs/dbraw/zinc/99/90/59/674999059.db2.gz JIHBSMAQVCHZIM-LLVKDONJSA-N -1 1 368.459 2.252 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(N)=O ZINC000028260835 670088988 /nfs/dbraw/zinc/08/89/88/670088988.db2.gz NQJJWICTXBFNRE-UHFFFAOYSA-N -1 1 363.439 2.246 20 0 FEADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000032098451 670126589 /nfs/dbraw/zinc/12/65/89/670126589.db2.gz PYGQHVSMKZPBQJ-UHFFFAOYSA-N -1 1 354.453 2.087 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCO[C@@H]3C[C@@H]32)c1)OCC(F)(F)F ZINC000816895260 675084533 /nfs/dbraw/zinc/08/45/33/675084533.db2.gz GUSZEMXMHZJEQH-CMPLNLGQSA-N -1 1 360.288 2.116 20 0 FEADMM Cc1ncc2n1C[C@@H](C(=O)Nc1nc(Br)ccc1[O-])CC2 ZINC000816952272 675089852 /nfs/dbraw/zinc/08/98/52/675089852.db2.gz GVCCKFOWDZTTQK-VIFPVBQESA-N -1 1 351.204 2.256 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)C(C)C)o1 ZINC000051111768 670291882 /nfs/dbraw/zinc/29/18/82/670291882.db2.gz NJYBOQAURHGQRI-MRXNPFEDSA-N -1 1 365.407 2.252 20 0 FEADMM Cc1ccccc1C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051694927 670302606 /nfs/dbraw/zinc/30/26/06/670302606.db2.gz AHIGQENGGLGFFT-UHFFFAOYSA-N -1 1 353.421 2.468 20 0 FEADMM CN(CCOc1ccccc1Cl)CC(=O)N[N-]C(=O)c1cccs1 ZINC000052711320 670315770 /nfs/dbraw/zinc/31/57/70/670315770.db2.gz FQSKMBQWSCGRTR-UHFFFAOYSA-N -1 1 367.858 2.173 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCc2ccc3c(c2)OCO3)c(=O)[n-]1 ZINC000054566993 670339122 /nfs/dbraw/zinc/33/91/22/670339122.db2.gz YVNNDWFRQRTCFX-UHFFFAOYSA-N -1 1 362.407 2.205 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000055620926 670352683 /nfs/dbraw/zinc/35/26/83/670352683.db2.gz OZGJOCJXEPFGIE-UHFFFAOYSA-N -1 1 359.407 2.092 20 0 FEADMM CCCCCNC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000062295157 670400015 /nfs/dbraw/zinc/40/00/15/670400015.db2.gz KGAKZQNBHRBJDZ-CYBMUJFWSA-N -1 1 370.471 2.300 20 0 FEADMM CCCN(CCC)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000062294742 670400182 /nfs/dbraw/zinc/40/01/82/670400182.db2.gz ODJQQXSSJHCQQV-UHFFFAOYSA-N -1 1 370.471 2.254 20 0 FEADMM CC(C)CS(=O)(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817149347 675105390 /nfs/dbraw/zinc/10/53/90/675105390.db2.gz CWECHRCTKDBIHO-LBPRGKRZSA-N -1 1 364.389 2.082 20 0 FEADMM Cn1c(CNC(=O)c2ccccc2OCc2cscn2)n[n-]c1=S ZINC000066625615 670445078 /nfs/dbraw/zinc/44/50/78/670445078.db2.gz HNTDPRYJINCVLU-UHFFFAOYSA-N -1 1 361.452 2.443 20 0 FEADMM CC(C)n1c(CCNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n[n-]c1=S ZINC000067072701 670452337 /nfs/dbraw/zinc/45/23/37/670452337.db2.gz PSKWOFHXCSLENZ-GFCCVEGCSA-N -1 1 367.519 2.265 20 0 FEADMM CCOc1ccc(C(=O)NCCc2n[n-]c(=S)n2CC)cc1[N+](=O)[O-] ZINC000067075953 670452913 /nfs/dbraw/zinc/45/29/13/670452913.db2.gz FRHVQGNBISSDDF-UHFFFAOYSA-N -1 1 365.415 2.240 20 0 FEADMM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068075576 670465652 /nfs/dbraw/zinc/46/56/52/670465652.db2.gz DLKFXJZBWKITRH-UHFFFAOYSA-N -1 1 360.391 2.474 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(S(C)(=O)=O)s2)c1 ZINC000817195858 675111265 /nfs/dbraw/zinc/11/12/65/675111265.db2.gz CULAIVAXLVSFEU-UHFFFAOYSA-N -1 1 368.432 2.459 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)OC ZINC000569054965 670504221 /nfs/dbraw/zinc/50/42/21/670504221.db2.gz UIMAMBMGQNUQLH-VIFPVBQESA-N -1 1 370.254 2.483 20 0 FEADMM CC(C)CN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000569055538 670504384 /nfs/dbraw/zinc/50/43/84/670504384.db2.gz LMGRJDRVKFEAJL-UHFFFAOYSA-N -1 1 353.271 2.386 20 0 FEADMM O=c1[n-]c([C@@H]2CCCN(CCCc3nc(-c4cccs4)no3)C2)n[nH]1 ZINC000569149372 670516975 /nfs/dbraw/zinc/51/69/75/670516975.db2.gz NATXPKYUPCYZEW-LLVKDONJSA-N -1 1 360.443 2.434 20 0 FEADMM Cc1cnc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)nc1 ZINC000817295241 675118926 /nfs/dbraw/zinc/11/89/26/675118926.db2.gz WPEFBNORMMOHKT-ZDUSSCGKSA-N -1 1 350.344 2.395 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cc(Cl)c1[O-] ZINC000569789712 670612308 /nfs/dbraw/zinc/61/23/08/670612308.db2.gz FFLWYOXWLBKNDE-CABCVRRESA-N -1 1 368.861 2.427 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000081030221 670636150 /nfs/dbraw/zinc/63/61/50/670636150.db2.gz JJTZVDNRYYJYFK-MRVPVSSYSA-N -1 1 352.797 2.394 20 0 FEADMM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000089339956 670699098 /nfs/dbraw/zinc/69/90/98/670699098.db2.gz XODRWUFTVQXBKN-RDDDGLTNSA-N -1 1 360.266 2.387 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)COCc1ccccc1 ZINC000097094111 670762242 /nfs/dbraw/zinc/76/22/42/670762242.db2.gz UDSKCYWRCYLDSK-LBPRGKRZSA-N -1 1 357.863 2.205 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCCNC(=O)CC1CCCCC1 ZINC000101672825 670769552 /nfs/dbraw/zinc/76/95/52/670769552.db2.gz MSRITIYJPGKQLM-UHFFFAOYSA-N -1 1 367.519 2.096 20 0 FEADMM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000102889490 670777676 /nfs/dbraw/zinc/77/76/76/670777676.db2.gz YRDRIHFSLLCYLY-UHFFFAOYSA-N -1 1 353.304 2.449 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)cc1Cl ZINC000102862559 670778077 /nfs/dbraw/zinc/77/80/77/670778077.db2.gz QENSZASHAZPHLX-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM O=C(COCC1CC1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817492737 675138982 /nfs/dbraw/zinc/13/89/82/675138982.db2.gz LZCZLKAOKFNOGJ-CYBMUJFWSA-N -1 1 356.344 2.049 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)NN=c2c(F)c(F)[n-]c(F)c2F)c1 ZINC000105386753 670800189 /nfs/dbraw/zinc/80/01/89/670800189.db2.gz KXVHDWKWIDHYGT-UHFFFAOYSA-N -1 1 353.272 2.391 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000571126514 670819755 /nfs/dbraw/zinc/81/97/55/670819755.db2.gz FZNCRIIHBIXWAF-GJZGRUSLSA-N -1 1 365.455 2.320 20 0 FEADMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000571198036 670834118 /nfs/dbraw/zinc/83/41/18/670834118.db2.gz RUVDQACBYCUNLO-CQSZACIVSA-N -1 1 366.439 2.420 20 0 FEADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c1 ZINC000565747945 675148224 /nfs/dbraw/zinc/14/82/24/675148224.db2.gz VLGONFMQJUUFPI-UHFFFAOYSA-N -1 1 358.322 2.111 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)c1 ZINC000571936545 670942011 /nfs/dbraw/zinc/94/20/11/670942011.db2.gz ZFJRHPXRCUXSAF-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)CCCC1 ZINC000572174917 670969953 /nfs/dbraw/zinc/96/99/53/670969953.db2.gz OALANBWZFUGDAV-UHFFFAOYSA-N -1 1 363.439 2.347 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)ccc2[nH]1 ZINC000572808341 671046470 /nfs/dbraw/zinc/04/64/70/671046470.db2.gz BWNCFNVZRGCSCE-UHFFFAOYSA-N -1 1 358.301 2.071 20 0 FEADMM C[C@H](CN(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1)CS(C)(=O)=O ZINC000572967398 671066032 /nfs/dbraw/zinc/06/60/32/671066032.db2.gz CNPJFORYGURLGL-LLVKDONJSA-N -1 1 367.389 2.273 20 0 FEADMM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000573009277 671071349 /nfs/dbraw/zinc/07/13/49/671071349.db2.gz YZWDRVNVXLBNRW-OAHLLOKOSA-N -1 1 372.215 2.101 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000573009277 671071350 /nfs/dbraw/zinc/07/13/50/671071350.db2.gz YZWDRVNVXLBNRW-OAHLLOKOSA-N -1 1 372.215 2.101 20 0 FEADMM CNC(=O)NCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000573122700 671086320 /nfs/dbraw/zinc/08/63/20/671086320.db2.gz OBSLMXAISBDNJC-UHFFFAOYSA-N -1 1 350.600 2.066 20 0 FEADMM C[C@@H]1C[C@@H]1CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817772729 675175930 /nfs/dbraw/zinc/17/59/30/675175930.db2.gz FJQDDGOAJYBVEQ-RAIGVLPGSA-N -1 1 355.360 2.462 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H]1C1CC1 ZINC000573793510 671165008 /nfs/dbraw/zinc/16/50/08/671165008.db2.gz ARXPGOPBTBVODN-GFCCVEGCSA-N -1 1 363.266 2.283 20 0 FEADMM O=[S@@](c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1)C(F)(F)F ZINC000818049439 675193570 /nfs/dbraw/zinc/19/35/70/675193570.db2.gz DDCDTLDEGBMZNS-QFIPXVFZSA-N -1 1 371.402 2.482 20 0 FEADMM CCCc1nc(=NC(=O)NC2CCN(Cc3ccncc3)CC2)s[n-]1 ZINC000576962129 671407546 /nfs/dbraw/zinc/40/75/46/671407546.db2.gz LPRKOTYOKIZBER-UHFFFAOYSA-N -1 1 360.487 2.094 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(SCc2ccccc2)n1)C1CC1 ZINC000577396555 671593360 /nfs/dbraw/zinc/59/33/60/671593360.db2.gz ZCXWKKQJLWWWDM-CYBMUJFWSA-N -1 1 368.484 2.264 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)o1 ZINC000609351868 675919720 /nfs/dbraw/zinc/91/97/20/675919720.db2.gz KSNHKLADNANWGW-UHFFFAOYSA-N -1 1 364.423 2.145 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000578832404 671691954 /nfs/dbraw/zinc/69/19/54/671691954.db2.gz KTIUHKIDAOFPJS-CHWSQXEVSA-N -1 1 362.455 2.035 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000578832404 671691958 /nfs/dbraw/zinc/69/19/58/671691958.db2.gz KTIUHKIDAOFPJS-CHWSQXEVSA-N -1 1 362.455 2.035 20 0 FEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000579236770 671721636 /nfs/dbraw/zinc/72/16/36/671721636.db2.gz JMSQCCOXACDSMF-NXEZZACHSA-N -1 1 361.391 2.232 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](COc1ccccc1F)C(C)(C)C ZINC000580129755 671784302 /nfs/dbraw/zinc/78/43/02/671784302.db2.gz PZOCOWCGDRMPQF-CYBMUJFWSA-N -1 1 371.434 2.476 20 0 FEADMM C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000580279611 671794418 /nfs/dbraw/zinc/79/44/18/671794418.db2.gz BKABDMMNTRKFRW-IAQYHMDHSA-N -1 1 360.845 2.444 20 0 FEADMM CC[C@@H](C)CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000580780907 671832904 /nfs/dbraw/zinc/83/29/04/671832904.db2.gz ZYTKAGCOZJKWJH-CYBMUJFWSA-N -1 1 370.471 2.178 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@@H]1C(=O)[O-] ZINC000581310888 671883776 /nfs/dbraw/zinc/88/37/76/671883776.db2.gz SAAZLLMFBMMNPN-SCZZXKLOSA-N -1 1 367.345 2.142 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)ccc1OC ZINC000610254350 675961298 /nfs/dbraw/zinc/96/12/98/675961298.db2.gz MWYGAXNCXJXZKH-UHFFFAOYSA-N -1 1 355.343 2.127 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC000123582628 671981916 /nfs/dbraw/zinc/98/19/16/671981916.db2.gz NIEHFWRUIIKTQM-QGZVFWFLSA-N -1 1 368.499 2.401 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C1(N2CCOCC2)CCCC1 ZINC000125456211 672011817 /nfs/dbraw/zinc/01/18/17/672011817.db2.gz BFPKFRDHRNTUCT-ZDUSSCGKSA-N -1 1 374.453 2.277 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F)N1CCCCC1 ZINC000125927340 672018225 /nfs/dbraw/zinc/01/82/25/672018225.db2.gz NUQJEVPSQAVOLQ-MRXNPFEDSA-N -1 1 374.453 2.421 20 0 FEADMM CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000582966524 672050870 /nfs/dbraw/zinc/05/08/70/672050870.db2.gz NHFFWJWASSPOFF-NWDGAFQWSA-N -1 1 353.419 2.095 20 0 FEADMM O=C(Nc1c[nH]cc(Br)c1=O)c1nnc2ccccc2c1O ZINC000129608160 672064628 /nfs/dbraw/zinc/06/46/28/672064628.db2.gz SWIHLJOWESVOJF-UHFFFAOYSA-N -1 1 361.155 2.039 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C(=O)[O-] ZINC000583147368 672067722 /nfs/dbraw/zinc/06/77/22/672067722.db2.gz KTYMCJJWUSTTDB-GXSJLCMTSA-N -1 1 372.874 2.250 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1C(=O)[O-] ZINC000583147368 672067724 /nfs/dbraw/zinc/06/77/24/672067724.db2.gz KTYMCJJWUSTTDB-GXSJLCMTSA-N -1 1 372.874 2.250 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000583425220 672093447 /nfs/dbraw/zinc/09/34/47/672093447.db2.gz MQIQFZBDSZFAPX-JSGCOSHPSA-N -1 1 373.858 2.236 20 0 FEADMM COC[C@@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000143525491 672148908 /nfs/dbraw/zinc/14/89/08/672148908.db2.gz OSBZHZADLGZHDY-LLVKDONJSA-N -1 1 350.444 2.157 20 0 FEADMM O=C(CCOc1ccccc1)N[N-]C(=O)c1ccncc1Br ZINC000151111582 672157562 /nfs/dbraw/zinc/15/75/62/672157562.db2.gz VMPDWEZDWAFLHA-UHFFFAOYSA-N -1 1 364.199 2.074 20 0 FEADMM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H]3CN(CC(C)C)CCO3)c12 ZINC000584175454 672163274 /nfs/dbraw/zinc/16/32/74/672163274.db2.gz ZOOZZHSVLKICIS-GFCCVEGCSA-N -1 1 364.471 2.467 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO1 ZINC000584723320 672209690 /nfs/dbraw/zinc/20/96/90/672209690.db2.gz PCNWSSRUCNIZQI-CJNGLKHVSA-N -1 1 360.435 2.395 20 0 FEADMM O=S(=O)([N-]C[C@@]1(O)CCCc2ccccc21)c1cc(F)ccc1F ZINC000161621392 672298763 /nfs/dbraw/zinc/29/87/63/672298763.db2.gz YHMCRBRRKXRBTJ-KRWDZBQOSA-N -1 1 353.390 2.467 20 0 FEADMM O=C([N-]OCCC(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000162664013 672305541 /nfs/dbraw/zinc/30/55/41/672305541.db2.gz QDLJSPYIXGCTRR-QMMMGPOBSA-N -1 1 352.259 2.318 20 0 FEADMM O=S(=O)([N-]Cc1nccn1C(F)F)c1ccc(Cl)nc1Cl ZINC000173964595 672356403 /nfs/dbraw/zinc/35/64/03/672356403.db2.gz DXDAZUPUECFAGE-UHFFFAOYSA-N -1 1 357.169 2.459 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)c1Cl ZINC000173983516 672356822 /nfs/dbraw/zinc/35/68/22/672356822.db2.gz VNKOFQRLWZSZQN-UHFFFAOYSA-N -1 1 365.883 2.252 20 0 FEADMM O=S(=O)([N-]Cc1ccc(CO)c(F)c1)c1ccc(Cl)nc1Cl ZINC000178623635 672393423 /nfs/dbraw/zinc/39/34/23/672393423.db2.gz KYTJMCMBJUEHDN-UHFFFAOYSA-N -1 1 365.213 2.498 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc(C)c2O)cc1CC(=O)[O-] ZINC000678716839 672438484 /nfs/dbraw/zinc/43/84/84/672438484.db2.gz RKFUCISHOJBZDH-UHFFFAOYSA-N -1 1 351.380 2.137 20 0 FEADMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000182376566 672443979 /nfs/dbraw/zinc/44/39/79/672443979.db2.gz HLLNJRGTOXLTSN-UHFFFAOYSA-N -1 1 365.342 2.338 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1C(N)=O ZINC000588833042 672484698 /nfs/dbraw/zinc/48/46/98/672484698.db2.gz FBTQETXGEHNGLE-NSHDSACASA-N -1 1 364.423 2.302 20 0 FEADMM C[C@@](O)(CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccc(Cl)c1 ZINC000185214165 672522946 /nfs/dbraw/zinc/52/29/46/672522946.db2.gz LBKHBLIKFBUCCY-GOSISDBHSA-N -1 1 357.797 2.214 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000589595542 672533322 /nfs/dbraw/zinc/53/33/22/672533322.db2.gz DBHWBAXPRVKTMO-UHFFFAOYSA-N -1 1 352.387 2.070 20 0 FEADMM COC(=O)[C@@H](NCCC[N-]C(=O)C(F)(F)F)c1ccc(F)c(C)c1 ZINC000185783422 672534550 /nfs/dbraw/zinc/53/45/50/672534550.db2.gz QOUQNLQHVOHVCX-LBPRGKRZSA-N -1 1 350.312 2.006 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2c(C)cc(C)nc2OC)c(F)c1 ZINC000589629679 672536509 /nfs/dbraw/zinc/53/65/09/672536509.db2.gz MNVKZSWQUZPOCV-UHFFFAOYSA-N -1 1 372.393 2.472 20 0 FEADMM O=C(Cc1cn2ccccc2n1)N[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000186094043 672541022 /nfs/dbraw/zinc/54/10/22/672541022.db2.gz GBHASJWXKSHBCT-UHFFFAOYSA-N -1 1 364.739 2.270 20 0 FEADMM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000187576184 672573180 /nfs/dbraw/zinc/57/31/80/672573180.db2.gz PHWFMDZWMTVGCU-UHFFFAOYSA-N -1 1 368.633 2.324 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc(I)cc1 ZINC000590397410 672578206 /nfs/dbraw/zinc/57/82/06/672578206.db2.gz BNYUZPOZNCLOFB-UHFFFAOYSA-N -1 1 357.151 2.210 20 0 FEADMM O=C([N-]NC(=O)c1c[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1F ZINC000188232727 672586308 /nfs/dbraw/zinc/58/63/08/672586308.db2.gz LGWPPMDRHYHPCN-UHFFFAOYSA-N -1 1 359.744 2.395 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)c2ccccc2)o1 ZINC000590587388 672592725 /nfs/dbraw/zinc/59/27/25/672592725.db2.gz DDVGWDWKVUVCEI-UHFFFAOYSA-N -1 1 351.380 2.006 20 0 FEADMM N#Cc1ccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1[O-] ZINC000188599475 672593870 /nfs/dbraw/zinc/59/38/70/672593870.db2.gz XZSCABDTUUOZTP-INIZCTEOSA-N -1 1 350.296 2.444 20 0 FEADMM Cc1n[nH]nc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188630559 672594566 /nfs/dbraw/zinc/59/45/66/672594566.db2.gz DNIZYHYSANVNEE-UHFFFAOYSA-N -1 1 357.395 2.166 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)OC)cc2Cl)cn1 ZINC000590592648 672594616 /nfs/dbraw/zinc/59/46/16/672594616.db2.gz ZZDHGLGCJUFYNF-UHFFFAOYSA-N -1 1 371.802 2.116 20 0 FEADMM N#Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1[O-] ZINC000188660194 672595841 /nfs/dbraw/zinc/59/58/41/672595841.db2.gz GSFJHDZSHZNVPX-ZBFHGGJFSA-N -1 1 358.419 2.290 20 0 FEADMM COC(=O)c1cnc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)s1 ZINC000590644608 672598416 /nfs/dbraw/zinc/59/84/16/672598416.db2.gz SCMPNOAIONWEIF-UHFFFAOYSA-N -1 1 368.440 2.027 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)c3cccc(OC)c3)no2)co1 ZINC000680727075 672599366 /nfs/dbraw/zinc/59/93/66/672599366.db2.gz ADFPHYFKXORYPV-JTQLQIEISA-N -1 1 363.395 2.398 20 0 FEADMM Cc1cccnc1C(=O)N[N-]C(=O)c1cc(Br)ncc1Cl ZINC000188955717 672603111 /nfs/dbraw/zinc/60/31/11/672603111.db2.gz YHGGPECIJFQGQZ-UHFFFAOYSA-N -1 1 369.606 2.276 20 0 FEADMM CCCc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000681126547 672631162 /nfs/dbraw/zinc/63/11/62/672631162.db2.gz WJSZXPFUSUWPNO-CYBMUJFWSA-N -1 1 363.784 2.187 20 0 FEADMM O=C(CCn1ccccc1=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000681203224 672637923 /nfs/dbraw/zinc/63/79/23/672637923.db2.gz LZXOOVSCQFWBOO-UHFFFAOYSA-N -1 1 359.773 2.021 20 0 FEADMM O=C(CCn1ccccc1=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000681203224 672637926 /nfs/dbraw/zinc/63/79/26/672637926.db2.gz LZXOOVSCQFWBOO-UHFFFAOYSA-N -1 1 359.773 2.021 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3c(C)ccc(F)c3C(=O)[O-])cc12 ZINC000681565066 672672776 /nfs/dbraw/zinc/67/27/76/672672776.db2.gz PQKYBCUWPVSJRG-UHFFFAOYSA-N -1 1 365.342 2.478 20 0 FEADMM O=C(Cc1ccccc1Br)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000591441774 672681573 /nfs/dbraw/zinc/68/15/73/672681573.db2.gz REKFOKMPARLMBW-HNNXBMFYSA-N -1 1 372.226 2.411 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)C(C)C ZINC000592035931 672738647 /nfs/dbraw/zinc/73/86/47/672738647.db2.gz JGBKVAKNIACFNP-UONOGXRCSA-N -1 1 351.509 2.333 20 0 FEADMM CCOC(=O)CCN(C)C(=O)Cn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000194462899 672760096 /nfs/dbraw/zinc/76/00/96/672760096.db2.gz XHRCTHIBELDZQN-UHFFFAOYSA-N -1 1 362.455 2.328 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c(C(F)(F)F)n1 ZINC000856752734 682805898 /nfs/dbraw/zinc/80/58/98/682805898.db2.gz LQAOOBPMAUYYKK-ZCFIWIBFSA-N -1 1 366.192 2.301 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CN1c1ccccc1 ZINC000195152361 672776956 /nfs/dbraw/zinc/77/69/56/672776956.db2.gz PQXXDHJOMFSJEW-SNVBAGLBSA-N -1 1 370.352 2.188 20 0 FEADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCCCc2cn[nH]n2)c1C ZINC000195262643 672780350 /nfs/dbraw/zinc/78/03/50/672780350.db2.gz AHVOCBSXMIESQQ-UHFFFAOYSA-N -1 1 364.471 2.256 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)ccc1O ZINC000592385030 672795774 /nfs/dbraw/zinc/79/57/74/672795774.db2.gz KDFBSGYNRGGLAH-UHFFFAOYSA-N -1 1 353.400 2.135 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCN(C)C)C2CCCC2)c1C ZINC000237115001 672806821 /nfs/dbraw/zinc/80/68/21/672806821.db2.gz UJJNCJGDRCBLCZ-UHFFFAOYSA-N -1 1 368.499 2.497 20 0 FEADMM CCOC(=O)C[C@H](O)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000592799678 672840671 /nfs/dbraw/zinc/84/06/71/672840671.db2.gz UZXYUIFEGYTQGI-VIFPVBQESA-N -1 1 366.595 2.061 20 0 FEADMM CN(C)c1nc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc(=O)[n-]1 ZINC000683411685 672841951 /nfs/dbraw/zinc/84/19/51/672841951.db2.gz WVVWSFNWELVHEF-BQBZGAKWSA-N -1 1 372.269 2.061 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(C(C)(C)C)cc1Br)c1nn[n-]n1 ZINC000612059459 676066664 /nfs/dbraw/zinc/06/66/64/676066664.db2.gz BDRQTDJKESOWJW-SECBINFHSA-N -1 1 370.255 2.185 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)NC1CCCC1 ZINC000684761424 672963181 /nfs/dbraw/zinc/96/31/81/672963181.db2.gz VGCAXCPGHZYKGD-UHFFFAOYSA-N -1 1 369.245 2.470 20 0 FEADMM Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)no1 ZINC000684871718 672973108 /nfs/dbraw/zinc/97/31/08/672973108.db2.gz PEFUJRXZYDIHQU-UHFFFAOYSA-N -1 1 357.288 2.418 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)c1 ZINC000685002474 672984223 /nfs/dbraw/zinc/98/42/23/672984223.db2.gz SGKOWJNHSOCDDE-UHFFFAOYSA-N -1 1 350.371 2.290 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593820667 672995363 /nfs/dbraw/zinc/99/53/63/672995363.db2.gz LXIBACJSZXMFGZ-UHFFFAOYSA-N -1 1 367.471 2.406 20 0 FEADMM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000593891506 673005215 /nfs/dbraw/zinc/00/52/15/673005215.db2.gz XQYJXHIULOIWDN-JTQLQIEISA-N -1 1 355.460 2.405 20 0 FEADMM CCS(=O)(=O)c1ccc(CNC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000685485860 673013123 /nfs/dbraw/zinc/01/31/23/673013123.db2.gz SVMSOSKWCOUXBH-UHFFFAOYSA-N -1 1 361.391 2.456 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000685500665 673015740 /nfs/dbraw/zinc/01/57/40/673015740.db2.gz ROUUACATIBKWCA-KGLIPLIRSA-N -1 1 351.428 2.072 20 0 FEADMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000311580306 673027381 /nfs/dbraw/zinc/02/73/81/673027381.db2.gz CPEVOIJGKLCUMY-DTWKUNHWSA-N -1 1 368.322 2.053 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCN(C)C[C@H]1CC ZINC000326188025 673052158 /nfs/dbraw/zinc/05/21/58/673052158.db2.gz LHMUNDUDMAHVAQ-OAHLLOKOSA-N -1 1 354.472 2.052 20 0 FEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000326454210 673053241 /nfs/dbraw/zinc/05/32/41/673053241.db2.gz DZXTZQSFVDQJCF-BBRMVZONSA-N -1 1 351.447 2.193 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2cnn(C)c2)c(=O)[n-]1 ZINC000328895224 673068875 /nfs/dbraw/zinc/06/88/75/673068875.db2.gz BGKFMUONNRVLGQ-CQSZACIVSA-N -1 1 361.471 2.242 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C)c2OC)o1 ZINC000594476586 673082985 /nfs/dbraw/zinc/08/29/85/673082985.db2.gz TZEJBBFDAHOZDM-UHFFFAOYSA-N -1 1 353.396 2.252 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1csc(-c2ccoc2)n1 ZINC000594847476 673161256 /nfs/dbraw/zinc/16/12/56/673161256.db2.gz BVNAWRBKEPQEPG-CYBMUJFWSA-N -1 1 352.379 2.436 20 0 FEADMM CC(C)C[C@H](CNS(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926477264 683130198 /nfs/dbraw/zinc/13/01/98/683130198.db2.gz MHNZKANIORSCOK-MRVPVSSYSA-N -1 1 354.222 2.067 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc3[nH]c(=O)oc32)c1 ZINC000426809632 673210195 /nfs/dbraw/zinc/21/01/95/673210195.db2.gz FNEHNXCQMUUXAC-UHFFFAOYSA-N -1 1 361.379 2.466 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)cc1C ZINC000595300793 673218841 /nfs/dbraw/zinc/21/88/41/673218841.db2.gz VPSSXKFQLJIPER-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)cc1C ZINC000595313013 673221543 /nfs/dbraw/zinc/22/15/43/673221543.db2.gz OYJOXARWBSLTFA-JSGCOSHPSA-N -1 1 359.444 2.104 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)C12CCC2 ZINC000595314779 673221836 /nfs/dbraw/zinc/22/18/36/673221836.db2.gz KEVOHWRRDZJPFQ-RYUDHWBXSA-N -1 1 357.428 2.001 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](OC)c2ccccc2)cc1C ZINC000595317287 673222733 /nfs/dbraw/zinc/22/27/33/673222733.db2.gz PFHLYASDILYPRE-ZDUSSCGKSA-N -1 1 353.396 2.041 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)cc1C ZINC000595327442 673225474 /nfs/dbraw/zinc/22/54/74/673225474.db2.gz SGKXUYXRVWFUKG-UHFFFAOYSA-N -1 1 351.371 2.478 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCC2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000595327414 673225506 /nfs/dbraw/zinc/22/55/06/673225506.db2.gz RMLUTOCRCYGBHB-RYUDHWBXSA-N -1 1 359.444 2.247 20 0 FEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)o1 ZINC000595330039 673225966 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CCCCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358428 673277668 /nfs/dbraw/zinc/27/76/68/673277668.db2.gz AJRDQKZPKPBSMI-UHFFFAOYSA-N -1 1 363.197 2.482 20 0 FEADMM C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000613556411 676133618 /nfs/dbraw/zinc/13/36/18/676133618.db2.gz VMNCTUFCERSQCP-XXLQHYSLSA-N -1 1 367.812 2.403 20 0 FEADMM O=C(Nc1nc(-c2cccs2)n[nH]1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000732270795 673361263 /nfs/dbraw/zinc/36/12/63/673361263.db2.gz KMUFTBPYDLXEGB-UHFFFAOYSA-N -1 1 354.351 2.129 20 0 FEADMM CC(C)Oc1ccccc1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536739525 673379140 /nfs/dbraw/zinc/37/91/40/673379140.db2.gz XWRFADOFHHNUCM-UHFFFAOYSA-N -1 1 364.423 2.008 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2sccc2-c2ccc(F)cc2)n1 ZINC000733360407 673412622 /nfs/dbraw/zinc/41/26/22/673412622.db2.gz JPZMARGYDLAVTG-UHFFFAOYSA-N -1 1 366.399 2.328 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2sccc2-c2ccc(F)cc2)[n-]1 ZINC000733360407 673412626 /nfs/dbraw/zinc/41/26/26/673412626.db2.gz JPZMARGYDLAVTG-UHFFFAOYSA-N -1 1 366.399 2.328 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)cc1 ZINC000538093466 673421570 /nfs/dbraw/zinc/42/15/70/673421570.db2.gz CPHFZWNQQGAVDF-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM COCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1 ZINC000538092474 673421609 /nfs/dbraw/zinc/42/16/09/673421609.db2.gz OHLUJADXRWOVDW-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538951727 673467990 /nfs/dbraw/zinc/46/79/90/673467990.db2.gz OHCWMLQOXABJQJ-HNNXBMFYSA-N -1 1 364.423 2.144 20 0 FEADMM COc1cc(NC(=O)NC[C@H]2CCO[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000538950482 673468080 /nfs/dbraw/zinc/46/80/80/673468080.db2.gz VBCFDAKWUTUCLR-RYUDHWBXSA-N -1 1 371.459 2.003 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000539191215 673477972 /nfs/dbraw/zinc/47/79/72/673477972.db2.gz RLYUAYWKPFBQFR-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM Cc1nc(SCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n-]c(=O)c1C ZINC000539618878 673498720 /nfs/dbraw/zinc/49/87/20/673498720.db2.gz VFMXLORRFONZIE-SNVBAGLBSA-N -1 1 359.407 2.493 20 0 FEADMM CCN(CC)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000539704942 673502188 /nfs/dbraw/zinc/50/21/88/673502188.db2.gz FADLMURCUWFLKW-UHFFFAOYSA-N -1 1 363.439 2.138 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)cc(Cl)c1[O-] ZINC000597833167 673510897 /nfs/dbraw/zinc/51/08/97/673510897.db2.gz BADOPJLJHNYIIY-GFCCVEGCSA-N -1 1 371.817 2.237 20 0 FEADMM CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000737590992 673571453 /nfs/dbraw/zinc/57/14/53/673571453.db2.gz VGBZOGUMNKSKOQ-UHFFFAOYSA-N -1 1 353.375 2.412 20 0 FEADMM COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)s1 ZINC000598565462 673584373 /nfs/dbraw/zinc/58/43/73/673584373.db2.gz YDHMEUOYKXKRMT-LLVKDONJSA-N -1 1 361.423 2.359 20 0 FEADMM COc1cc2nc(-c3ccc(S(C)(=O)=O)cc3)[n-]c(=O)c2cc1OC ZINC000614110266 676161050 /nfs/dbraw/zinc/16/10/50/676161050.db2.gz HHQHKOLAJHVMSO-UHFFFAOYSA-N -1 1 360.391 2.011 20 0 FEADMM C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cccc(Cl)c1Cl ZINC000542773077 673604342 /nfs/dbraw/zinc/60/43/42/673604342.db2.gz PJFKNNKPLRJZLF-SSDOTTSWSA-N -1 1 352.181 2.215 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000542935228 673616282 /nfs/dbraw/zinc/61/62/82/673616282.db2.gz KXVYGNBUHCMNRN-UHFFFAOYSA-N -1 1 353.371 2.214 20 0 FEADMM C[C@H]1C[C@@H](CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000543201681 673632373 /nfs/dbraw/zinc/63/23/73/673632373.db2.gz BLULEJKXNVRJHC-STQMWFEESA-N -1 1 372.487 2.291 20 0 FEADMM COCc1nc(=NC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)s[n-]1 ZINC000543384041 673643443 /nfs/dbraw/zinc/64/34/43/673643443.db2.gz JCJKXHSWJJKQJF-UHFFFAOYSA-N -1 1 356.411 2.021 20 0 FEADMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000599266442 673650765 /nfs/dbraw/zinc/65/07/65/673650765.db2.gz PDEHRKJXQHGKIZ-LBPRGKRZSA-N -1 1 359.460 2.026 20 0 FEADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599270946 673651598 /nfs/dbraw/zinc/65/15/98/673651598.db2.gz BEGCERJYHCJHFI-VIFPVBQESA-N -1 1 353.412 2.171 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c1 ZINC000599411955 673672044 /nfs/dbraw/zinc/67/20/44/673672044.db2.gz MGKGZZNFJBRIBM-HNNXBMFYSA-N -1 1 350.396 2.281 20 0 FEADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC(F)C1 ZINC000544309480 673704063 /nfs/dbraw/zinc/70/40/63/673704063.db2.gz GMRSJXXHSOMIQN-UHFFFAOYSA-N -1 1 352.362 2.420 20 0 FEADMM O=S(=O)([N-]c1cccc(OS(=O)(=O)C2CC2)c1)c1ccccc1 ZINC000742305427 673720801 /nfs/dbraw/zinc/72/08/01/673720801.db2.gz GDXHBLYNGBDAFC-UHFFFAOYSA-N -1 1 353.421 2.358 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccc2c1COC2=O)c1nc(C(C)(C)C)no1 ZINC000742347821 673724814 /nfs/dbraw/zinc/72/48/14/673724814.db2.gz WACZWLMAUJMKNY-VIFPVBQESA-N -1 1 365.411 2.077 20 0 FEADMM CS[C@@H]1CC[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000742747451 673736773 /nfs/dbraw/zinc/73/67/73/673736773.db2.gz NLNCODRPCVCAQU-UONOGXRCSA-N -1 1 358.467 2.495 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(F)c(OC)c3)no2)o1 ZINC000544973379 673741905 /nfs/dbraw/zinc/74/19/05/673741905.db2.gz TYZRACOTSUMYFD-UHFFFAOYSA-N -1 1 353.331 2.052 20 0 FEADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000545119116 673745483 /nfs/dbraw/zinc/74/54/83/673745483.db2.gz BVFFYXVLCDCDSP-QHCPKHFHSA-N -1 1 366.420 2.213 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000545233052 673753719 /nfs/dbraw/zinc/75/37/19/673753719.db2.gz OKHYNCNBDXGPOS-VHSXEESVSA-N -1 1 351.332 2.306 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)cc1 ZINC000743265021 673754337 /nfs/dbraw/zinc/75/43/37/673754337.db2.gz YNDYTSFXNURBHC-UHFFFAOYSA-N -1 1 361.423 2.416 20 0 FEADMM CC(C)(C)OC(=O)[C@H](C([O-])=Nc1nc(C2CCOCC2)ns1)C1CC1 ZINC000600513276 673775404 /nfs/dbraw/zinc/77/54/04/673775404.db2.gz OAZCGVNSLPJHGX-LBPRGKRZSA-N -1 1 367.471 2.160 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000545832851 673777004 /nfs/dbraw/zinc/77/70/04/673777004.db2.gz UYFSPQWTTLDDES-UHFFFAOYSA-N -1 1 351.380 2.211 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(C(=O)OC)c1F)C1CC1 ZINC000600653322 673786243 /nfs/dbraw/zinc/78/62/43/673786243.db2.gz GNGLZZTYVBLTIK-GFCCVEGCSA-N -1 1 363.382 2.308 20 0 FEADMM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000546629422 673808027 /nfs/dbraw/zinc/80/80/27/673808027.db2.gz FKJRWGZSODZDRU-CYBMUJFWSA-N -1 1 359.806 2.500 20 0 FEADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1ccon1 ZINC000546913769 673827521 /nfs/dbraw/zinc/82/75/21/673827521.db2.gz JLUXHGJJQBUARO-ZETCQYMHSA-N -1 1 358.135 2.476 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CCOC(C)(C)C2)ccc1[N-]S(C)(=O)=O ZINC000547355423 673845434 /nfs/dbraw/zinc/84/54/34/673845434.db2.gz GEOHULQUXWSPLB-LBPRGKRZSA-N -1 1 371.459 2.146 20 0 FEADMM COC(=O)c1ccc(OC)cc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000601401803 673856233 /nfs/dbraw/zinc/85/62/33/673856233.db2.gz XDBSXSARFCPBDQ-LBPRGKRZSA-N -1 1 369.361 2.347 20 0 FEADMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000745978909 673859911 /nfs/dbraw/zinc/85/99/11/673859911.db2.gz VKNFITSFQFABQW-UHFFFAOYSA-N -1 1 360.391 2.141 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000614788327 676191325 /nfs/dbraw/zinc/19/13/25/676191325.db2.gz IARPNSOOMPBRRA-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)COC2(C)CCC2)c1 ZINC000746295539 673871355 /nfs/dbraw/zinc/87/13/55/673871355.db2.gz DUGCOAWEBADUDZ-UHFFFAOYSA-N -1 1 370.471 2.320 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cn[nH]c1 ZINC000746445280 673878586 /nfs/dbraw/zinc/87/85/86/673878586.db2.gz YFQQNRAYOPMXLN-UHFFFAOYSA-N -1 1 356.407 2.487 20 0 FEADMM Cc1ccccc1C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000547891764 673898625 /nfs/dbraw/zinc/89/86/25/673898625.db2.gz KMYXPCWAMSBYSV-ZDUSSCGKSA-N -1 1 369.389 2.495 20 0 FEADMM O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1F)c1c(F)cccc1F ZINC000548268299 673945997 /nfs/dbraw/zinc/94/59/97/673945997.db2.gz KVPIZTSRSVFBGG-LBPRGKRZSA-N -1 1 363.288 2.347 20 0 FEADMM COc1cc(C)c(NS(=O)(=O)c2c[nH]c3ncccc32)c(C(=O)[O-])c1 ZINC000548566388 673973581 /nfs/dbraw/zinc/97/35/81/673973581.db2.gz DGRYJCXZZDOXQM-UHFFFAOYSA-N -1 1 361.379 2.379 20 0 FEADMM CS(=O)(=O)CC1(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000548953212 674008142 /nfs/dbraw/zinc/00/81/42/674008142.db2.gz BMPYMTXIEFUCMW-UHFFFAOYSA-N -1 1 368.842 2.148 20 0 FEADMM COc1ccc(N)c(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000818556784 675224926 /nfs/dbraw/zinc/22/49/26/675224926.db2.gz YGAMSYRCTNQRTK-UHFFFAOYSA-N -1 1 367.427 2.200 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000615227354 676208018 /nfs/dbraw/zinc/20/80/18/676208018.db2.gz PHIWMXHZOKGZHV-UHFFFAOYSA-N -1 1 367.427 2.015 20 0 FEADMM O=S(=O)([N-]CCNc1ccc2ccccc2n1)c1cccc(F)c1F ZINC000567057186 675263855 /nfs/dbraw/zinc/26/38/55/675263855.db2.gz SRXXLNQRSJBTEM-UHFFFAOYSA-N -1 1 363.389 2.903 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)SCC2)c1nc2ccccc2s1 ZINC000567163298 675272367 /nfs/dbraw/zinc/27/23/67/675272367.db2.gz FZDQLXICIJRIFL-UHFFFAOYSA-N -1 1 366.493 2.120 20 0 FEADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cn(C)cc(Br)c1=O ZINC000567393954 675290008 /nfs/dbraw/zinc/29/00/08/675290008.db2.gz YEOQRRGATZYOFL-SECBINFHSA-N -1 1 351.266 2.468 20 0 FEADMM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000819550865 675298968 /nfs/dbraw/zinc/29/89/68/675298968.db2.gz ZWMOKHQCJMLPHP-LLVKDONJSA-N -1 1 358.822 2.003 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](N2CCOCC2)C1 ZINC000615544302 676218488 /nfs/dbraw/zinc/21/84/88/676218488.db2.gz RLXMUKQZPMDQBK-CYBMUJFWSA-N -1 1 358.360 2.348 20 0 FEADMM CN1C(=O)CC[C@H]([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)C1=O ZINC000819727333 675312347 /nfs/dbraw/zinc/31/23/47/675312347.db2.gz AEVKUVXJNFGIHL-JTQLQIEISA-N -1 1 365.163 2.349 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(c3ncccn3)CC2)c(F)c1 ZINC000819846734 675317196 /nfs/dbraw/zinc/31/71/96/675317196.db2.gz DIYYLCMEWFEMPC-UHFFFAOYSA-N -1 1 368.409 2.011 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CNC(=O)OC(C)(C)C)c(F)c1 ZINC000819878387 675318266 /nfs/dbraw/zinc/31/82/66/675318266.db2.gz FDBBFJWPXTURGL-JTQLQIEISA-N -1 1 364.414 2.465 20 0 FEADMM COc1cc(C)c([S@](C)=O)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000819906167 675322215 /nfs/dbraw/zinc/32/22/15/675322215.db2.gz CZAOWHJCJYYUCL-QHCPKHFHSA-N -1 1 372.468 2.355 20 0 FEADMM COc1cc(C)c([S@](C)=O)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000819906167 675322217 /nfs/dbraw/zinc/32/22/17/675322217.db2.gz CZAOWHJCJYYUCL-QHCPKHFHSA-N -1 1 372.468 2.355 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Br)nn2C)c1 ZINC000820237215 675345341 /nfs/dbraw/zinc/34/53/41/675345341.db2.gz OBAJRKPPMROHMK-UHFFFAOYSA-N -1 1 353.176 2.099 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H]1CCN(C(C)(C)C)C1=O ZINC000820313199 675352721 /nfs/dbraw/zinc/35/27/21/675352721.db2.gz ISDLOTYQWGALBY-CQSZACIVSA-N -1 1 368.455 2.004 20 0 FEADMM CCOC(=O)c1ccsc1NC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000568270293 675362990 /nfs/dbraw/zinc/36/29/90/675362990.db2.gz ALGCPLHIRPUFTF-UHFFFAOYSA-N -1 1 353.425 2.460 20 0 FEADMM CC(C)(C)OC(=O)CCN(C(=O)c1cncc([O-])c1)C1CCOCC1 ZINC000568273536 675363283 /nfs/dbraw/zinc/36/32/83/675363283.db2.gz FFYZUBMSJGXUBQ-UHFFFAOYSA-N -1 1 350.415 2.140 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000820632421 675375461 /nfs/dbraw/zinc/37/54/61/675375461.db2.gz LPRWANULTPZECJ-SGANQWHYSA-N -1 1 368.451 2.074 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC000615779188 676228311 /nfs/dbraw/zinc/22/83/11/676228311.db2.gz HVJFYMNHMUEDGS-LBPRGKRZSA-N -1 1 363.357 2.060 20 0 FEADMM CCC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821040475 675408630 /nfs/dbraw/zinc/40/86/30/675408630.db2.gz MESBKACILUOQPH-CQSZACIVSA-N -1 1 363.487 2.153 20 0 FEADMM CCC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821040475 675408632 /nfs/dbraw/zinc/40/86/32/675408632.db2.gz MESBKACILUOQPH-CQSZACIVSA-N -1 1 363.487 2.153 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[C@H](F)C1 ZINC000568937500 675411101 /nfs/dbraw/zinc/41/11/01/675411101.db2.gz FFJQAPSPKPIYBV-DTWKUNHWSA-N -1 1 369.245 2.279 20 0 FEADMM CCc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821487082 675437536 /nfs/dbraw/zinc/43/75/36/675437536.db2.gz PZQLCPUTFBUCNW-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CCc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821487082 675437537 /nfs/dbraw/zinc/43/75/37/675437537.db2.gz PZQLCPUTFBUCNW-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CN(C)c1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2o1 ZINC000821591073 675442480 /nfs/dbraw/zinc/44/24/80/675442480.db2.gz UFCXGTKWQXAFOM-UHFFFAOYSA-N -1 1 355.383 2.388 20 0 FEADMM CN(C)c1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2o1 ZINC000821591073 675442481 /nfs/dbraw/zinc/44/24/81/675442481.db2.gz UFCXGTKWQXAFOM-UHFFFAOYSA-N -1 1 355.383 2.388 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1-c1ccccc1 ZINC000822021115 675465582 /nfs/dbraw/zinc/46/55/82/675465582.db2.gz WLGOYYJPUZPBQF-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1-c1ccccc1 ZINC000822021115 675465583 /nfs/dbraw/zinc/46/55/83/675465583.db2.gz WLGOYYJPUZPBQF-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000822543220 675491313 /nfs/dbraw/zinc/49/13/13/675491313.db2.gz QPPPJGQYTZKZRO-SSDOTTSWSA-N -1 1 352.259 2.410 20 0 FEADMM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ncccc1Br ZINC000656958991 677887063 /nfs/dbraw/zinc/88/70/63/677887063.db2.gz PRLBPJJCRQUVHE-LLVKDONJSA-N -1 1 363.277 2.472 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000823379624 675548771 /nfs/dbraw/zinc/54/87/71/675548771.db2.gz BBIKYPHTPYYIDE-UHFFFAOYSA-N -1 1 356.289 2.474 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000823379624 675548772 /nfs/dbraw/zinc/54/87/72/675548772.db2.gz BBIKYPHTPYYIDE-UHFFFAOYSA-N -1 1 356.289 2.474 20 0 FEADMM COc1cccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000824154720 675586463 /nfs/dbraw/zinc/58/64/63/675586463.db2.gz GTUVPFAJXFIOKZ-SNVBAGLBSA-N -1 1 360.336 2.013 20 0 FEADMM CSc1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)cc(=O)[n-]1 ZINC000824602669 675613107 /nfs/dbraw/zinc/61/31/07/675613107.db2.gz IGVXDJHZBYIGLG-LSDHHAIUSA-N -1 1 358.467 2.390 20 0 FEADMM CCN1C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CC1=O ZINC000825443777 675653459 /nfs/dbraw/zinc/65/34/59/675653459.db2.gz FZZHMQBPTJJVRQ-SECBINFHSA-N -1 1 362.459 2.033 20 0 FEADMM CCN1C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CC1=O ZINC000825443777 675653461 /nfs/dbraw/zinc/65/34/61/675653461.db2.gz FZZHMQBPTJJVRQ-SECBINFHSA-N -1 1 362.459 2.033 20 0 FEADMM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000825863439 675671754 /nfs/dbraw/zinc/67/17/54/675671754.db2.gz QRZQWUVCXRTDII-CQSZACIVSA-N -1 1 353.451 2.417 20 0 FEADMM CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000825936309 675675140 /nfs/dbraw/zinc/67/51/40/675675140.db2.gz YTNNADAAIABNBJ-UHFFFAOYSA-N -1 1 365.459 2.005 20 0 FEADMM Cc1onc(CC(=O)NCc2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826347825 675686670 /nfs/dbraw/zinc/68/66/70/675686670.db2.gz HTNMLLFMJDRNGG-UHFFFAOYSA-N -1 1 367.196 2.329 20 0 FEADMM Cc1onc(CC(=O)NCc2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826347825 675686671 /nfs/dbraw/zinc/68/66/71/675686671.db2.gz HTNMLLFMJDRNGG-UHFFFAOYSA-N -1 1 367.196 2.329 20 0 FEADMM C[C@@H]1CCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826686144 675700211 /nfs/dbraw/zinc/70/02/11/675700211.db2.gz NPUXUICAROZOEN-ZZVYKPCYSA-N -1 1 362.392 2.250 20 0 FEADMM CSCC[C@H](NC(=O)c1ccc(OC(F)F)cc1F)c1nn[n-]n1 ZINC000826928242 675716144 /nfs/dbraw/zinc/71/61/44/675716144.db2.gz MFKVODFALDOMGW-JTQLQIEISA-N -1 1 361.349 2.164 20 0 FEADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000827117942 675730579 /nfs/dbraw/zinc/73/05/79/675730579.db2.gz RMGFMFZJKAZEBY-XHDPSFHLSA-N -1 1 354.435 2.482 20 0 FEADMM CC(C)c1ncc(Br)c(C(=O)[N-]c2nn3cnnc3s2)n1 ZINC000827954559 675788674 /nfs/dbraw/zinc/78/86/74/675788674.db2.gz JUOOWBJEHGXUAG-UHFFFAOYSA-N -1 1 368.220 2.114 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC2CCC(F)CC2)c(Br)n1C ZINC000828273905 675810117 /nfs/dbraw/zinc/81/01/17/675810117.db2.gz ZIQZZLHBXIULJS-UHFFFAOYSA-N -1 1 368.272 2.298 20 0 FEADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000828678475 675836888 /nfs/dbraw/zinc/83/68/88/675836888.db2.gz BCHHTSCXVWTPFW-HUBLWGQQSA-N -1 1 350.381 2.107 20 0 FEADMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)s1 ZINC000606753088 675840626 /nfs/dbraw/zinc/84/06/26/675840626.db2.gz RRDYNYNDYBLIKE-JTQLQIEISA-N -1 1 364.452 2.394 20 0 FEADMM O=C(NCC1(O)CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000607037140 675850731 /nfs/dbraw/zinc/85/07/31/675850731.db2.gz UOCCJWITCCXYCS-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c[nH]1 ZINC000616040282 676237629 /nfs/dbraw/zinc/23/76/29/676237629.db2.gz OTXOLVWQJUHDSY-UHFFFAOYSA-N -1 1 360.395 2.096 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2cc(Cl)c(F)c(C(=O)OC)c2)on1 ZINC000616707197 676254827 /nfs/dbraw/zinc/25/48/27/676254827.db2.gz JRRVVSQFESGKGK-UHFFFAOYSA-N -1 1 356.693 2.293 20 0 FEADMM CC(C)CCc1nnc([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)s1 ZINC000617095469 676269493 /nfs/dbraw/zinc/26/94/93/676269493.db2.gz QBRGDTOXGWIUKT-UHFFFAOYSA-N -1 1 372.472 2.222 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H](Cn2ccnn2)C1 ZINC000617255294 676277100 /nfs/dbraw/zinc/27/71/00/676277100.db2.gz ALPYFQWWXWSMRC-NSHDSACASA-N -1 1 357.801 2.348 20 0 FEADMM COC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCOCC1 ZINC000617368431 676282319 /nfs/dbraw/zinc/28/23/19/676282319.db2.gz UWURXLWOAXMOHU-CYBMUJFWSA-N -1 1 358.232 2.326 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000618609697 676345960 /nfs/dbraw/zinc/34/59/60/676345960.db2.gz VSNNWKMWEXFWGY-UHFFFAOYSA-N -1 1 354.815 2.392 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000619865154 676397821 /nfs/dbraw/zinc/39/78/21/676397821.db2.gz ABKJSMYOVDXXRE-MRVPVSSYSA-N -1 1 360.395 2.271 20 0 FEADMM Cc1noc(C)c1CSCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000619872567 676398081 /nfs/dbraw/zinc/39/80/81/676398081.db2.gz ZVIPCVYJCIMEGP-UHFFFAOYSA-N -1 1 352.416 2.019 20 0 FEADMM CC(C)(CNC(=O)c1ccc(Br)cc1[O-])[C@]1(O)CCCOC1 ZINC000620114940 676407310 /nfs/dbraw/zinc/40/73/10/676407310.db2.gz KGCSIHQMOYVHMG-INIZCTEOSA-N -1 1 372.259 2.452 20 0 FEADMM CCOc1ccc([C@H](C)NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000677297857 679674808 /nfs/dbraw/zinc/67/48/08/679674808.db2.gz RDKRKQFDDFMVSB-NSHDSACASA-N -1 1 352.412 2.077 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)co1 ZINC000677311813 679675450 /nfs/dbraw/zinc/67/54/50/679675450.db2.gz BNBWYTKQHXWHQL-ONGXEEELSA-N -1 1 368.377 2.286 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H](O)C3)c2)c1 ZINC000620866969 676433175 /nfs/dbraw/zinc/43/31/75/676433175.db2.gz FOQGXZCWPQTWPF-WKILWMFISA-N -1 1 360.435 2.049 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)o1 ZINC000621181683 676444541 /nfs/dbraw/zinc/44/45/41/676444541.db2.gz NXNNASQVYNRBTF-LLVKDONJSA-N -1 1 364.423 2.004 20 0 FEADMM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)n1 ZINC000625660454 676666051 /nfs/dbraw/zinc/66/60/51/676666051.db2.gz LZQZKRQKNCJJEP-SMDDNHRTSA-N -1 1 367.358 2.072 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000629286592 676840270 /nfs/dbraw/zinc/84/02/70/676840270.db2.gz WFBQYIZGYKSPDR-MRXNPFEDSA-N -1 1 352.456 2.136 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000630222792 676888011 /nfs/dbraw/zinc/88/80/11/676888011.db2.gz ONDKCKZTQYNEOF-UHFFFAOYSA-N -1 1 356.875 2.440 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000630226915 676888569 /nfs/dbraw/zinc/88/85/69/676888569.db2.gz XOHXYPNLHCFURB-DFBGVHRSSA-N -1 1 352.381 2.076 20 0 FEADMM CCCCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000630806013 676922604 /nfs/dbraw/zinc/92/26/04/676922604.db2.gz DMPFLEYQSDIEKC-ZDUSSCGKSA-N -1 1 359.875 2.404 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000631707944 676952829 /nfs/dbraw/zinc/95/28/29/676952829.db2.gz LVWMCMBPHVNQLE-ZFWWWQNUSA-N -1 1 357.859 2.156 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NCc2cccnc2OC(C)C)c1 ZINC000631758722 676955654 /nfs/dbraw/zinc/95/56/54/676955654.db2.gz HVWAYSMQEVODPS-UHFFFAOYSA-N -1 1 352.412 2.062 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3nc(C)cc3C)nc2)sn1 ZINC000631765420 676956017 /nfs/dbraw/zinc/95/60/17/676956017.db2.gz HYSNZURKYYHBKG-UHFFFAOYSA-N -1 1 363.468 2.128 20 0 FEADMM O=C1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631878548 676961552 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/nfs/dbraw/zinc/56/12/04/688561204.db2.gz FASPWKJIKBVTPU-GOSISDBHSA-N -1 1 367.829 2.356 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@]23C[C@H]2COC3)c1 ZINC000888307011 688583128 /nfs/dbraw/zinc/58/31/28/688583128.db2.gz SLAOPGGGRNMECY-NHYWBVRUSA-N -1 1 357.332 2.084 20 0 FEADMM CCn1ncc(Cl)c1C(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889785985 688828816 /nfs/dbraw/zinc/82/88/16/688828816.db2.gz KGKHBQDVCUQBCS-JTQLQIEISA-N -1 1 351.794 2.038 20 0 FEADMM COCCOc1ccc(CNCc2ncc(Br)cc2[O-])cn1 ZINC000892598274 689217190 /nfs/dbraw/zinc/21/71/90/689217190.db2.gz AAMJMLTZJWCUFD-UHFFFAOYSA-N -1 1 368.231 2.260 20 0 FEADMM C[C@@H]1CCN(Cc2cccc3[nH]c(=O)oc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000895472030 689722862 /nfs/dbraw/zinc/72/28/62/689722862.db2.gz DYFUQCGOVIHYIQ-SKDRFNHKSA-N -1 1 357.332 2.422 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1(C2CC2)CC1 ZINC000895524636 689729907 /nfs/dbraw/zinc/72/99/07/689729907.db2.gz QJLOXENVECWUHH-UHFFFAOYSA-N -1 1 350.440 2.305 20 0 FEADMM COC[C@@H](NC(=O)c1ccc(Br)cc1[O-])[C@@H]1CCCOC1 ZINC000899656017 690400492 /nfs/dbraw/zinc/40/04/92/690400492.db2.gz NZLKSYBLEPZYKK-ZWNOBZJWSA-N -1 1 358.232 2.326 20 0 FEADMM CC1(C)CCC[C@H](CS(=O)(=O)NN=c2c(F)c(F)[n-]c(F)c2F)O1 ZINC000901587762 690661623 /nfs/dbraw/zinc/66/16/23/690661623.db2.gz QARUKVBGJSQEMY-SSDOTTSWSA-N -1 1 371.356 2.232 20 0 FEADMM CC1(C)NC(=O)N(CCSc2nc(-c3ccccc3)cc(=O)[n-]2)C1=O ZINC000901618429 690667534 /nfs/dbraw/zinc/66/75/34/690667534.db2.gz GAGWEDMNCCBSJE-UHFFFAOYSA-N -1 1 358.423 2.272 20 0 FEADMM Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000901683265 690678586 /nfs/dbraw/zinc/67/85/86/690678586.db2.gz WZHCFNHBIVDIGV-UHFFFAOYSA-N -1 1 359.242 2.281 20 0 FEADMM CCc1cc(C(=O)OC)ccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000901761650 690690871 /nfs/dbraw/zinc/69/08/71/690690871.db2.gz GEMSQGBBEQKOID-UHFFFAOYSA-N -1 1 369.361 2.356 20 0 FEADMM COc1ccc([C@@H](NCc2c(C)cnn2C)C(=O)[O-])cc1Br ZINC000901828802 690698772 /nfs/dbraw/zinc/69/87/72/690698772.db2.gz NFNOBLLAPXIAGA-CQSZACIVSA-N -1 1 368.231 2.415 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1OC ZINC000901895176 690709465 /nfs/dbraw/zinc/70/94/65/690709465.db2.gz HUERCIBRNZNKRP-UHFFFAOYSA-N -1 1 369.361 2.094 20 0 FEADMM COc1cc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc(OC)c1OC ZINC000901965064 690722722 /nfs/dbraw/zinc/72/27/22/690722722.db2.gz JDALIDQJGAKFHF-QWRGUYRKSA-N -1 1 363.332 2.407 20 0 FEADMM CCc1nc(OC)ccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000901973443 690724226 /nfs/dbraw/zinc/72/42/26/690724226.db2.gz VPHSNDGDQSVDRJ-UHFFFAOYSA-N -1 1 352.412 2.471 20 0 FEADMM Cc1cc(Br)c(OCC(=O)[O-])c(CN2C[C@@H]3COC[C@@H]3C2)c1 ZINC000902397789 690763150 /nfs/dbraw/zinc/76/31/50/690763150.db2.gz NMYPICMZYJQWJV-BETUJISGSA-N -1 1 370.243 2.299 20 0 FEADMM O=C([O-])Cn1cc(CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000902453198 690766992 /nfs/dbraw/zinc/76/69/92/690766992.db2.gz QWVMUOATTAWCHH-AULYBMBSSA-N -1 1 354.332 2.417 20 0 FEADMM COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902513507 690772646 /nfs/dbraw/zinc/77/26/46/690772646.db2.gz ZPINMQJLJQKAPZ-OCCSQVGLSA-N -1 1 368.861 2.401 20 0 FEADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000902606093 690785309 /nfs/dbraw/zinc/78/53/09/690785309.db2.gz FWVCOYSNXOAJCK-KGLIPLIRSA-N -1 1 361.471 2.230 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(OC)c2ncccc12 ZINC000903094865 690843498 /nfs/dbraw/zinc/84/34/98/690843498.db2.gz IHJLYMNPORXKDN-UHFFFAOYSA-N -1 1 357.457 2.408 20 0 FEADMM CC1(C)CCN(CCNS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000903549607 690922028 /nfs/dbraw/zinc/92/20/28/690922028.db2.gz HETIZOYRQKMTRE-UHFFFAOYSA-N -1 1 360.863 2.048 20 0 FEADMM O=S(=O)(CCc1cccc(F)c1)[N-]c1ncccc1N1CCOCC1 ZINC000903628730 690943612 /nfs/dbraw/zinc/94/36/12/690943612.db2.gz HOYCYOOOCWLOMA-UHFFFAOYSA-N -1 1 365.430 2.042 20 0 FEADMM Cc1nc([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)ccc1-c1ccccc1 ZINC000903632453 690944625 /nfs/dbraw/zinc/94/46/25/690944625.db2.gz QWGPHOCOJASLMR-HSZRJFAPSA-N -1 1 368.484 2.288 20 0 FEADMM COc1cccc(S(=O)(=O)CCN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903949416 690988598 /nfs/dbraw/zinc/98/85/98/690988598.db2.gz MHVGDAWFOIJHOL-QDEZUTFSSA-N -1 1 369.483 2.289 20 0 FEADMM COc1cccc(S(=O)(=O)CCN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000903949412 690988731 /nfs/dbraw/zinc/98/87/31/690988731.db2.gz MHVGDAWFOIJHOL-LOUJCGABSA-N -1 1 369.483 2.289 20 0 FEADMM CC(C)(C)OC(=O)N1CCc2ccc(CNC[C@H](F)C(=O)[O-])cc2C1 ZINC000904042569 690996805 /nfs/dbraw/zinc/99/68/05/690996805.db2.gz GIKJCOVYZTWVTN-HNNXBMFYSA-N -1 1 352.406 2.492 20 0 FEADMM COc1cccc(COc2cccc(Cl)c2CN[C@H](CO)C(=O)[O-])c1 ZINC000904053631 690998986 /nfs/dbraw/zinc/99/89/86/690998986.db2.gz QPQQZBDYPLEACB-MRXNPFEDSA-N -1 1 365.813 2.463 20 0 FEADMM COCCn1cc(CN[C@H](C(=O)[O-])c2csc(Br)c2)cn1 ZINC000904072187 691000815 /nfs/dbraw/zinc/00/08/15/691000815.db2.gz WECKYMYBBVDFBO-LBPRGKRZSA-N -1 1 374.260 2.269 20 0 FEADMM COc1cc([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc(Cl)n1 ZINC000906067725 691226436 /nfs/dbraw/zinc/22/64/36/691226436.db2.gz ORELTMJRECTSNU-FQEVSTJZSA-N -1 1 355.869 2.297 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000906869075 691332296 /nfs/dbraw/zinc/33/22/96/691332296.db2.gz XTPMDENOVLLASH-LBPRGKRZSA-N -1 1 358.435 2.067 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000906890389 691337368 /nfs/dbraw/zinc/33/73/68/691337368.db2.gz FEKHCBDTKRLGAL-CQSZACIVSA-N -1 1 354.472 2.223 20 0 FEADMM CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)OC ZINC000906940863 691349323 /nfs/dbraw/zinc/34/93/23/691349323.db2.gz OVUAMDJJYGIFFZ-QMMMGPOBSA-N -1 1 351.147 2.004 20 0 FEADMM C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000906945052 691351047 /nfs/dbraw/zinc/35/10/47/691351047.db2.gz UPAJRDVJNIZCSJ-VXGBXAGGSA-N -1 1 374.890 2.437 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C1CCCC1)c1ccco1 ZINC000907015074 691370018 /nfs/dbraw/zinc/37/00/18/691370018.db2.gz ONLSMWPSBNEWLW-ZDUSSCGKSA-N -1 1 353.444 2.337 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000907018611 691371523 /nfs/dbraw/zinc/37/15/23/691371523.db2.gz XTUQNYSNGVDYKA-CQSZACIVSA-N -1 1 354.472 2.223 20 0 FEADMM C[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000907413770 691474999 /nfs/dbraw/zinc/47/49/99/691474999.db2.gz OZCMGJMTAQLZLO-CKLFPEKLSA-N -1 1 353.785 2.013 20 0 FEADMM O=C(Cc1cc(Cl)cc(Cl)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907470480 691491380 /nfs/dbraw/zinc/49/13/80/691491380.db2.gz AHPRIYJQUZOJNI-NSHDSACASA-N -1 1 358.254 2.366 20 0 FEADMM O=C(Cc1coc2cc(Cl)ccc12)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473167 691492776 /nfs/dbraw/zinc/49/27/76/691492776.db2.gz QKVVVDUUSORFJO-GFCCVEGCSA-N -1 1 363.830 2.459 20 0 FEADMM O=C(c1cc2c(cncc2Cl)s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473761 691493364 /nfs/dbraw/zinc/49/33/64/691493364.db2.gz FFERCTKPANANBN-VIFPVBQESA-N -1 1 366.859 2.393 20 0 FEADMM Cc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c(Br)c1 ZINC000907478330 691496293 /nfs/dbraw/zinc/49/62/93/691496293.db2.gz XAKQGNLDUXLKDN-NSHDSACASA-N -1 1 368.260 2.201 20 0 FEADMM O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478244 691496625 /nfs/dbraw/zinc/49/66/25/691496625.db2.gz HWFQYXFACKRZPW-GJZGRUSLSA-N -1 1 359.455 2.024 20 0 FEADMM COc1ccc(C=C(C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1F ZINC000907481090 691497895 /nfs/dbraw/zinc/49/78/95/691497895.db2.gz ZDVBOIGFWDSGAL-SZNGSJQDSA-N -1 1 363.418 2.067 20 0 FEADMM O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907482570 691498444 /nfs/dbraw/zinc/49/84/44/691498444.db2.gz QQWSEYQSFIBOEV-BZUAXINKSA-N -1 1 357.483 2.475 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC12CCCCC2)c1c[nH]nc1C(F)(F)F ZINC000907643802 691530728 /nfs/dbraw/zinc/53/07/28/691530728.db2.gz LNZKNYYGEXRVAW-SNVBAGLBSA-N -1 1 353.366 2.199 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-][C@H]2CCOC23CCCCC3)c1C(F)(F)F ZINC000907647802 691532177 /nfs/dbraw/zinc/53/21/77/691532177.db2.gz VALYLTWMZQJDEG-NSHDSACASA-N -1 1 367.393 2.209 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)[n-]c1=O ZINC000908011210 691597960 /nfs/dbraw/zinc/59/79/60/691597960.db2.gz GXZFRPSYIRUVEO-ZDUSSCGKSA-N -1 1 363.439 2.333 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2C)[n-]c1=O ZINC000908012644 691598381 /nfs/dbraw/zinc/59/83/81/691598381.db2.gz NTHOLPZFVVROGO-CYBMUJFWSA-N -1 1 363.439 2.333 20 0 FEADMM O=C(Cc1[nH]nc2c1CCCC2)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908174270 691630062 /nfs/dbraw/zinc/63/00/62/691630062.db2.gz ADLZJSSQEYVSHB-BJCXPLBRSA-N -1 1 363.483 2.076 20 0 FEADMM Cc1ncccc1CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000908358017 691666382 /nfs/dbraw/zinc/66/63/82/691666382.db2.gz YXGGIVXLHRBSPY-HSZRJFAPSA-N -1 1 371.459 2.063 20 0 FEADMM O=S(=O)([N-]CCOC1CCSCC1)c1cc(F)c(F)cc1F ZINC000908462033 691683800 /nfs/dbraw/zinc/68/38/00/691683800.db2.gz OLYIEMNCAFTPLM-UHFFFAOYSA-N -1 1 355.403 2.294 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCOC2CCSCC2)c(F)c1 ZINC000908460598 691683809 /nfs/dbraw/zinc/68/38/09/691683809.db2.gz KBLFWOKPPUINIH-UHFFFAOYSA-N -1 1 367.439 2.164 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000908502166 691690708 /nfs/dbraw/zinc/69/07/08/691690708.db2.gz XURDGDVEAVNZIN-KGLIPLIRSA-N -1 1 355.456 2.228 20 0 FEADMM CC1=C(C)C(=O)N(CCC(=O)Nc2cccc([O-])c2Br)C1=O ZINC000908716563 691717526 /nfs/dbraw/zinc/71/75/26/691717526.db2.gz GRUZXYWVFFMORD-UHFFFAOYSA-N -1 1 367.199 2.189 20 0 FEADMM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccc(OC(F)F)cc1 ZINC000908721165 691718817 /nfs/dbraw/zinc/71/88/17/691718817.db2.gz UHPVJEOEAIDGDU-YPMHNXCESA-N -1 1 356.369 2.262 20 0 FEADMM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000908745099 691721761 /nfs/dbraw/zinc/72/17/61/691721761.db2.gz XWYBHVNLTPVDPB-IHRRRGAJSA-N -1 1 353.394 2.013 20 0 FEADMM CC(C)CCC[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000908771874 691727593 /nfs/dbraw/zinc/72/75/93/691727593.db2.gz SOOMTXTZXIUNAD-XHSDSOJGSA-N -1 1 357.495 2.064 20 0 FEADMM C[C@H](C(=O)[O-])N(C(=O)NCCN(C)Cc1ccc(F)cc1)C1CCC1 ZINC000909096430 691777834 /nfs/dbraw/zinc/77/78/34/691777834.db2.gz VVUGABSOSWCCKS-CYBMUJFWSA-N -1 1 351.422 2.295 20 0 FEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)CN2CCOCC2)cc1 ZINC000909328297 691808439 /nfs/dbraw/zinc/80/84/39/691808439.db2.gz IHNDBXVRNDOBLD-BBRMVZONSA-N -1 1 366.483 2.009 20 0 FEADMM C[C@@H]1SCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccccc1 ZINC000909414746 691819508 /nfs/dbraw/zinc/81/95/08/691819508.db2.gz OKTMJWFOJLZEEG-LESCRADOSA-N -1 1 362.495 2.488 20 0 FEADMM CN(CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-])[C@@H]1CCSC1 ZINC000910108448 691888901 /nfs/dbraw/zinc/88/89/01/691888901.db2.gz RBVNTYHZXRKEIQ-VQIMIIECSA-N -1 1 362.495 2.112 20 0 FEADMM O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)s1 ZINC000910214186 691901731 /nfs/dbraw/zinc/90/17/31/691901731.db2.gz UPOMAXXPVGMDPW-NSHDSACASA-N -1 1 360.439 2.076 20 0 FEADMM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCN(C2CCCC2)CC1 ZINC001165033349 721862698 /nfs/dbraw/zinc/86/26/98/721862698.db2.gz KMWOUPXGDGYSCG-UHFFFAOYSA-N -1 1 360.792 2.438 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCCN1CCc2ccccc2C1)c1ccccc1 ZINC000780381562 939112674 /nfs/dbraw/zinc/11/26/74/939112674.db2.gz LKZFCDQSEZDYDZ-SFHVURJKSA-N -1 1 353.422 2.170 20 0 FEADMM O=C([O-])C1(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCCCC1 ZINC000780562210 939132451 /nfs/dbraw/zinc/13/24/51/939132451.db2.gz JZWQPMDLWDVKOK-UHFFFAOYSA-N -1 1 361.377 2.198 20 0 FEADMM O=C([O-])C1(NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCCCC1 ZINC000780562210 939132452 /nfs/dbraw/zinc/13/24/52/939132452.db2.gz JZWQPMDLWDVKOK-UHFFFAOYSA-N -1 1 361.377 2.198 20 0 FEADMM Cc1cccc([C@@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])c1C ZINC000909800206 939737834 /nfs/dbraw/zinc/73/78/34/939737834.db2.gz IXBGFLIALKFXBP-FAFZWHIHSA-N -1 1 374.481 2.436 20 0 FEADMM C[C@H]1CC[C@@](NC(=O)c2cccc(CN3CCN(C)CC3)c2)(C(=O)[O-])CC1 ZINC000909949483 939746540 /nfs/dbraw/zinc/74/65/40/939746540.db2.gz BWNOZZHRNNMWDG-OQIWPSSASA-N -1 1 373.497 2.197 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800158810 674027756 /nfs/dbraw/zinc/02/77/56/674027756.db2.gz UZSXMTGNWNYQLW-ZDUSSCGKSA-N -1 1 355.799 2.165 20 0 FEADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1cn[nH]c1 ZINC000230904050 548763078 /nfs/dbraw/zinc/76/30/78/548763078.db2.gz IOGISJCMTQSPFG-ZETCQYMHSA-N -1 1 357.151 2.211 20 0 FEADMM Cn1[n-]c(COC(=O)C(C)(C)c2csc(-c3cccs3)n2)nc1=O ZINC000800292420 674038701 /nfs/dbraw/zinc/03/87/01/674038701.db2.gz MXEWEQUYDGMSFP-UHFFFAOYSA-N -1 1 364.452 2.314 20 0 FEADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000007708373 539464920 /nfs/dbraw/zinc/46/49/20/539464920.db2.gz PTDYIJYKTANVLO-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1c(C)noc1C)O[C@H](C)C2 ZINC000008058707 539476509 /nfs/dbraw/zinc/47/65/09/539476509.db2.gz ZYEPTLPIYHSCFQ-SNVBAGLBSA-N -1 1 366.439 2.492 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c(C(F)(F)F)n1 ZINC000549805496 674065086 /nfs/dbraw/zinc/06/50/86/674065086.db2.gz LMMITEIAIFXTBC-JTQLQIEISA-N -1 1 355.382 2.067 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc(NC3CC3)s2)cc1 ZINC000022173403 539691716 /nfs/dbraw/zinc/69/17/16/539691716.db2.gz YQLRCKVOCCVWBN-UHFFFAOYSA-N -1 1 364.452 2.170 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCCc3c2cnn3C)c(=O)[n-]1 ZINC000024991907 539746127 /nfs/dbraw/zinc/74/61/27/539746127.db2.gz JNCYYOJESMIVGU-ZDUSSCGKSA-N -1 1 361.471 2.072 20 0 FEADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(C(N)=O)CC2)c1 ZINC000026535959 539788920 /nfs/dbraw/zinc/78/89/20/539788920.db2.gz XIHBJQZYEPHBIZ-UHFFFAOYSA-N -1 1 373.482 2.030 20 0 FEADMM Cn1cc(-c2ccc(=NC(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)[n-]n2)cn1 ZINC000529088117 539801580 /nfs/dbraw/zinc/80/15/80/539801580.db2.gz ILEDZPIIXAYBJY-HNNXBMFYSA-N -1 1 355.446 2.016 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000028987478 539840815 /nfs/dbraw/zinc/84/08/15/539840815.db2.gz MKVAYAYFUSGCFK-UHFFFAOYSA-N -1 1 357.683 2.310 20 0 FEADMM COCc1ccccc1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000029024276 539841647 /nfs/dbraw/zinc/84/16/47/539841647.db2.gz IZGIROQGWGREDD-UHFFFAOYSA-N -1 1 364.423 2.465 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1 ZINC000029322172 539850420 /nfs/dbraw/zinc/85/04/20/539850420.db2.gz DZSDKOAAWBOIPE-UHFFFAOYSA-N -1 1 363.395 2.155 20 0 FEADMM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1cc(F)ccc1F ZINC000030361565 539880323 /nfs/dbraw/zinc/88/03/23/539880323.db2.gz UCEKPFIWJSVAIZ-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM COC(=O)c1cc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c(F)cc1F ZINC000030820608 539892002 /nfs/dbraw/zinc/89/20/02/539892002.db2.gz VLVIXQSAFBNXMR-UHFFFAOYSA-N -1 1 361.308 2.058 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)o1 ZINC000031615168 539913540 /nfs/dbraw/zinc/91/35/40/539913540.db2.gz BQRXBUIXJOTONN-UHFFFAOYSA-N -1 1 372.443 2.239 20 0 FEADMM CNC(=O)c1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000032031320 539925975 /nfs/dbraw/zinc/92/59/75/539925975.db2.gz QDHSEEKYCDPUSW-UHFFFAOYSA-N -1 1 360.439 2.143 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCCC1 ZINC000032444698 539940324 /nfs/dbraw/zinc/94/03/24/539940324.db2.gz LXTSEOJGLARHRY-UHFFFAOYSA-N -1 1 351.255 2.284 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCCCC1 ZINC000032444722 539940373 /nfs/dbraw/zinc/94/03/73/539940373.db2.gz COHOFAWCYVIBPN-UHFFFAOYSA-N -1 1 357.284 2.346 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)N1CCOCC1 ZINC000032585593 539943285 /nfs/dbraw/zinc/94/32/85/539943285.db2.gz DXPVHPFCSZNNJF-UHFFFAOYSA-N -1 1 364.398 2.099 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)o1 ZINC000032963189 539961630 /nfs/dbraw/zinc/96/16/30/539961630.db2.gz HLNDVZUSGAWTIT-UHFFFAOYSA-N -1 1 354.350 2.039 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1 ZINC000034380413 539977147 /nfs/dbraw/zinc/97/71/47/539977147.db2.gz PZKJVWXBZIQJOL-QGZVFWFLSA-N -1 1 361.419 2.472 20 0 FEADMM O=S(=O)([N-]c1ncccc1I)c1ccccc1 ZINC000038276072 539998358 /nfs/dbraw/zinc/99/83/58/539998358.db2.gz OGBSPBYXTXXBEF-UHFFFAOYSA-N -1 1 360.176 2.487 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCc2ccccc2C1 ZINC000042105203 540051266 /nfs/dbraw/zinc/05/12/66/540051266.db2.gz LXVHNNQRVARPHL-UHFFFAOYSA-N -1 1 360.417 2.268 20 0 FEADMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000042623006 540070262 /nfs/dbraw/zinc/07/02/62/540070262.db2.gz POZDBKMQMBDZQE-UHFFFAOYSA-N -1 1 362.432 2.435 20 0 FEADMM CN(C)c1ncccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000049728066 540392586 /nfs/dbraw/zinc/39/25/86/540392586.db2.gz YLWIWGQVTFLJDT-UHFFFAOYSA-N -1 1 366.443 2.070 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1O ZINC000050532140 540407164 /nfs/dbraw/zinc/40/71/64/540407164.db2.gz CVCPUYZFIFBOTR-UHFFFAOYSA-N -1 1 361.423 2.000 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000055567327 540660095 /nfs/dbraw/zinc/66/00/95/540660095.db2.gz KBZBZUOVKRXZOK-UHFFFAOYSA-N -1 1 373.434 2.122 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000055594703 540662401 /nfs/dbraw/zinc/66/24/01/540662401.db2.gz PEYSDANLXUEBNF-UHFFFAOYSA-N -1 1 363.391 2.242 20 0 FEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000055596489 540662470 /nfs/dbraw/zinc/66/24/70/540662470.db2.gz BBCQYCBJHAPXPG-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1 ZINC000055616218 540663777 /nfs/dbraw/zinc/66/37/77/540663777.db2.gz CTLNENWTKWKPHC-UHFFFAOYSA-N -1 1 362.451 2.488 20 0 FEADMM O=S(=O)([N-]c1ccccc1Cn1cncn1)c1ccc2c(c1)CCO2 ZINC000055686668 540671124 /nfs/dbraw/zinc/67/11/24/540671124.db2.gz CKUPDOUUQJZEIS-UHFFFAOYSA-N -1 1 356.407 2.062 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000057012654 540762205 /nfs/dbraw/zinc/76/22/05/540762205.db2.gz SUWUFWVDIXCBLY-HNNXBMFYSA-N -1 1 369.389 2.418 20 0 FEADMM Cc1ccc(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000058368161 540840352 /nfs/dbraw/zinc/84/03/52/540840352.db2.gz JZRUIRVFUNGLNY-UHFFFAOYSA-N -1 1 354.435 2.369 20 0 FEADMM CCC(CC)n1nc(C)cc1C(=O)N=c1[n-]nc(NS(C)(=O)=O)s1 ZINC000540466164 541062758 /nfs/dbraw/zinc/06/27/58/541062758.db2.gz WGNWATWEWZIHSF-UHFFFAOYSA-N -1 1 372.476 2.028 20 0 FEADMM COc1cc(C(=O)Nc2nnn[n-]2)cc(OC)c1OCc1ccccc1 ZINC000060380320 541109547 /nfs/dbraw/zinc/10/95/47/541109547.db2.gz CJOMMTJWYMNSNQ-UHFFFAOYSA-N -1 1 355.354 2.048 20 0 FEADMM COc1cc(C(=O)Nc2nn[n-]n2)cc(OC)c1OCc1ccccc1 ZINC000060380320 541109551 /nfs/dbraw/zinc/10/95/51/541109551.db2.gz CJOMMTJWYMNSNQ-UHFFFAOYSA-N -1 1 355.354 2.048 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)S(=O)(=O)c2ccc([O-])cc2)c1 ZINC000063927555 541191808 /nfs/dbraw/zinc/19/18/08/541191808.db2.gz JBQUPCQVMZPWCE-NSHDSACASA-N -1 1 365.407 2.210 20 0 FEADMM CCn1c(CNC(=O)CCN(Cc2ccccc2)C(C)=O)n[n-]c1=S ZINC000066637121 541351433 /nfs/dbraw/zinc/35/14/33/541351433.db2.gz NBGYEVFHWTWGEY-UHFFFAOYSA-N -1 1 361.471 2.016 20 0 FEADMM CCn1c(CNC(=O)[C@H](C)OCc2cccc(OC)c2)n[n-]c1=S ZINC000066636174 541351559 /nfs/dbraw/zinc/35/15/59/541351559.db2.gz MOJZMBWBMNLYDV-NSHDSACASA-N -1 1 350.444 2.191 20 0 FEADMM CCn1c(CNC(=O)Cc2csc(-c3cccnc3)n2)n[n-]c1=S ZINC000066636714 541351657 /nfs/dbraw/zinc/35/16/57/541351657.db2.gz BHFCBEFONKPKOH-UHFFFAOYSA-N -1 1 360.468 2.338 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n[n-]c1=S ZINC000066637034 541351787 /nfs/dbraw/zinc/35/17/87/541351787.db2.gz RVDOJDGTIISTJZ-JTQLQIEISA-N -1 1 352.847 2.481 20 0 FEADMM CC(=O)CCc1ccc(OCCC(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066626057 541349948 /nfs/dbraw/zinc/34/99/48/541349948.db2.gz IABLVERCUHEGLS-UHFFFAOYSA-N -1 1 362.455 2.085 20 0 FEADMM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[n-]c(=S)n1C ZINC000066625417 541350043 /nfs/dbraw/zinc/35/00/43/541350043.db2.gz PITSHRDILIIWPU-JTQLQIEISA-N -1 1 357.480 2.033 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccc(N3CCOCC3)cc2)n[n-]c1=S ZINC000066650132 541355902 /nfs/dbraw/zinc/35/59/02/541355902.db2.gz DVVWYZAKGGJNBM-UHFFFAOYSA-N -1 1 361.471 2.288 20 0 FEADMM COCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000066743714 541368271 /nfs/dbraw/zinc/36/82/71/541368271.db2.gz ZYESHXJSUPJXOJ-UHFFFAOYSA-N -1 1 363.439 2.037 20 0 FEADMM CC(C)n1c(CCNC(=O)CCCNC(=O)C(C)(C)C)n[n-]c1=S ZINC000067074803 541414704 /nfs/dbraw/zinc/41/47/04/541414704.db2.gz PEGFTFDNZPQAIO-UHFFFAOYSA-N -1 1 355.508 2.123 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)c3cc(C)nc(C)n3)[n-][nH]2)c(OC)c1 ZINC000542537631 541421748 /nfs/dbraw/zinc/42/17/48/541421748.db2.gz MOLOTACOFWHANM-UHFFFAOYSA-N -1 1 354.370 2.148 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067813371 541516733 /nfs/dbraw/zinc/51/67/33/541516733.db2.gz OWFLHRNORSRDAK-ROUUACIJSA-N -1 1 360.417 2.355 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)NC(C)(C)C ZINC000068345865 541579953 /nfs/dbraw/zinc/57/99/53/541579953.db2.gz GBLHNANGWNINKB-ZETCQYMHSA-N -1 1 369.306 2.092 20 0 FEADMM CCn1c(C2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)n[n-]c1=S ZINC000068453846 541594343 /nfs/dbraw/zinc/59/43/43/541594343.db2.gz UFFYSJDXWAWMHY-UHFFFAOYSA-N -1 1 359.455 2.079 20 0 FEADMM CC(=O)NC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000068465429 541595326 /nfs/dbraw/zinc/59/53/26/541595326.db2.gz AWCWCWJWJKRVIX-LLVKDONJSA-N -1 1 355.232 2.143 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(Sc3ccccc3)CC2)o1 ZINC000068607917 541613658 /nfs/dbraw/zinc/61/36/58/541613658.db2.gz AQJFOKRHHADTLO-UHFFFAOYSA-N -1 1 366.464 2.242 20 0 FEADMM Cc1cc(=NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)[nH]n1[C@@H](C)C1CC1 ZINC000544266154 541743527 /nfs/dbraw/zinc/74/35/27/541743527.db2.gz WNJBQZHBYBABSD-JTQLQIEISA-N -1 1 368.397 2.473 20 0 FEADMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2cccs2)[nH]n1 ZINC000071925132 541775333 /nfs/dbraw/zinc/77/53/33/541775333.db2.gz VHPCJTSXCFSSAC-UHFFFAOYSA-N -1 1 359.411 2.038 20 0 FEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cnc(CC3CC3)nc2)cc1 ZINC000551037705 674121167 /nfs/dbraw/zinc/12/11/67/674121167.db2.gz XSZQDXWWJIWXOD-UHFFFAOYSA-N -1 1 361.423 2.158 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000055548435 205220514 /nfs/dbraw/zinc/22/05/14/205220514.db2.gz NSABTKXOXQBASM-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1CS(C)(=O)=O ZINC000058497527 205275692 /nfs/dbraw/zinc/27/56/92/205275692.db2.gz GVQCRANRBBPLKK-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)OCCCS(C)(=O)=O)n2)c1 ZINC000801411818 674125936 /nfs/dbraw/zinc/12/59/36/674125936.db2.gz QDLWSIOJVUAILV-UHFFFAOYSA-N -1 1 366.439 2.293 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@H](C)CC ZINC000551167410 674127781 /nfs/dbraw/zinc/12/77/81/674127781.db2.gz KCUQGZRSMNUWOM-BXUZGUMPSA-N -1 1 360.476 2.369 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)(C)C ZINC000073214464 541930933 /nfs/dbraw/zinc/93/09/33/541930933.db2.gz OFRATAIBNZGJCM-GFCCVEGCSA-N -1 1 360.476 2.147 20 0 FEADMM Cc1ccccc1OCCCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000074162204 542045754 /nfs/dbraw/zinc/04/57/54/542045754.db2.gz VDKNNSTYEPTJRJ-UHFFFAOYSA-N -1 1 368.437 2.423 20 0 FEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000801642900 674141468 /nfs/dbraw/zinc/14/14/68/674141468.db2.gz DIMLSJSFRIJKCM-LBPRGKRZSA-N -1 1 355.320 2.113 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(Nc2cccnc2)CC1 ZINC000081653808 542671919 /nfs/dbraw/zinc/67/19/19/542671919.db2.gz ABXNCBYPBGYYJZ-UHFFFAOYSA-N -1 1 369.469 2.488 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCN(c2ncccn2)C1)c1cc2ccccc2o1 ZINC000084936812 542722945 /nfs/dbraw/zinc/72/29/45/542722945.db2.gz JRYNYSQBUFYYDC-CQSZACIVSA-N -1 1 358.423 2.170 20 0 FEADMM O=C(CCCn1cccc1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000092625055 542876450 /nfs/dbraw/zinc/87/64/50/542876450.db2.gz FXZQIOVAYHPPOS-UHFFFAOYSA-N -1 1 363.439 2.053 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1cccc(O)c1 ZINC000101662721 543040352 /nfs/dbraw/zinc/04/03/52/543040352.db2.gz RKVSVDZZQVCKCA-UHFFFAOYSA-N -1 1 354.410 2.049 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccon1 ZINC000102381070 543067483 /nfs/dbraw/zinc/06/74/83/543067483.db2.gz PTENYZUFXWAKJG-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccccc2C)C2CCOCC2)n1 ZINC000551888806 674169320 /nfs/dbraw/zinc/16/93/20/674169320.db2.gz GJCBXXYKWUZGRD-OAHLLOKOSA-N -1 1 351.428 2.133 20 0 FEADMM CCOc1ccc([C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000103942293 543118897 /nfs/dbraw/zinc/11/88/97/543118897.db2.gz MNBRGIBSFRFBBF-LBPRGKRZSA-N -1 1 368.437 2.458 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000103943326 543119182 /nfs/dbraw/zinc/11/91/82/543119182.db2.gz XAKXMTCZWSALQH-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000104141376 543124834 /nfs/dbraw/zinc/12/48/34/543124834.db2.gz ZSFLYLGHGXOVJQ-UHFFFAOYSA-N -1 1 362.393 2.006 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000105390580 543173056 /nfs/dbraw/zinc/17/30/56/543173056.db2.gz ZFIDJFKPEKVSOJ-UHFFFAOYSA-N -1 1 352.387 2.060 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)ccc1F ZINC000105589672 543177518 /nfs/dbraw/zinc/17/75/18/543177518.db2.gz WTVMUZGGJKKPDX-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)CO2 ZINC000106749307 543244992 /nfs/dbraw/zinc/24/49/92/543244992.db2.gz SDXCTPTYVULNTL-SECBINFHSA-N -1 1 356.304 2.412 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000107308342 543266209 /nfs/dbraw/zinc/26/62/09/543266209.db2.gz HPWSPGMHPLEPMV-LLVKDONJSA-N -1 1 372.443 2.237 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)o1 ZINC000107699844 543276527 /nfs/dbraw/zinc/27/65/27/543276527.db2.gz WTSQMBUFVYBUHX-UHFFFAOYSA-N -1 1 364.423 2.014 20 0 FEADMM C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108593047 543296758 /nfs/dbraw/zinc/29/67/58/543296758.db2.gz PPYFSTYIOGNVHK-GFCCVEGCSA-N -1 1 368.503 2.149 20 0 FEADMM Cc1nn(C)c(C)c1NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000109714171 543335074 /nfs/dbraw/zinc/33/50/74/543335074.db2.gz FSSYSSDFRUMARB-UHFFFAOYSA-N -1 1 361.349 2.282 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1)N1CCCC1 ZINC000110097088 543348549 /nfs/dbraw/zinc/34/85/49/543348549.db2.gz OCKFYDSMBPJACM-MRXNPFEDSA-N -1 1 352.456 2.233 20 0 FEADMM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000111346365 543397969 /nfs/dbraw/zinc/39/79/69/543397969.db2.gz PFKFIWNDSXOOQF-UHFFFAOYSA-N -1 1 372.368 2.121 20 0 FEADMM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnn[n-]1 ZINC000113417706 543487376 /nfs/dbraw/zinc/48/73/76/543487376.db2.gz OFHNJDWGUTXLIT-AWEZNQCLSA-N -1 1 370.800 2.353 20 0 FEADMM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nn[n-]n1 ZINC000113417706 543487378 /nfs/dbraw/zinc/48/73/78/543487378.db2.gz OFHNJDWGUTXLIT-AWEZNQCLSA-N -1 1 370.800 2.353 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)Sc1ccccc1 ZINC000114412500 543513863 /nfs/dbraw/zinc/51/38/63/543513863.db2.gz AGJGVKCTQXGWBY-ZDUSSCGKSA-N -1 1 356.451 2.436 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N(C)C ZINC000115311700 543558905 /nfs/dbraw/zinc/55/89/05/543558905.db2.gz KHFMRFMIYQORSQ-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](F)(CO)C2)c([O-])c1 ZINC000802333741 674178002 /nfs/dbraw/zinc/17/80/02/674178002.db2.gz OWGNGIBPEMSMKL-KRWDZBQOSA-N -1 1 354.378 2.286 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CC[C@H]2CCCO2)n[n-]1 ZINC000552008075 674181264 /nfs/dbraw/zinc/18/12/64/674181264.db2.gz FPNYBWOZHPVJRD-CHWSQXEVSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CC[C@H]2CCCO2)[n-]1 ZINC000552008075 674181266 /nfs/dbraw/zinc/18/12/66/674181266.db2.gz FPNYBWOZHPVJRD-CHWSQXEVSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CC[C@H]2CCCO2)n1 ZINC000552008075 674181269 /nfs/dbraw/zinc/18/12/69/674181269.db2.gz FPNYBWOZHPVJRD-CHWSQXEVSA-N -1 1 352.435 2.144 20 0 FEADMM CCCN(CCC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000115845688 543590119 /nfs/dbraw/zinc/59/01/19/543590119.db2.gz QYFASEHFUZMPKG-UHFFFAOYSA-N -1 1 352.453 2.008 20 0 FEADMM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnn[n-]2)cc1 ZINC000118686064 543655303 /nfs/dbraw/zinc/65/53/03/543655303.db2.gz LWRIAIVDCLYDPZ-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nn[n-]n2)cc1 ZINC000118686064 543655307 /nfs/dbraw/zinc/65/53/07/543655307.db2.gz LWRIAIVDCLYDPZ-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc2c1OCCCO2 ZINC000123215922 543749420 /nfs/dbraw/zinc/74/94/20/543749420.db2.gz MKTVPWGIANINMQ-UHFFFAOYSA-N -1 1 371.437 2.467 20 0 FEADMM O=C(Cc1cccc(F)c1)NCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000124474243 543824081 /nfs/dbraw/zinc/82/40/81/543824081.db2.gz IIMWGHKSSBXHLC-UHFFFAOYSA-N -1 1 350.777 2.273 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nn[n-]n1 ZINC000124023487 543796778 /nfs/dbraw/zinc/79/67/78/543796778.db2.gz CIKSCXRZFJSANZ-VIFPVBQESA-N -1 1 373.398 2.107 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1nn[n-]n1 ZINC000124040914 543798437 /nfs/dbraw/zinc/79/84/37/543798437.db2.gz BKADWILFUXRDKB-ZDUSSCGKSA-N -1 1 372.473 2.379 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)o1 ZINC000124765611 543841985 /nfs/dbraw/zinc/84/19/85/543841985.db2.gz BKNZMFXTDOXPNF-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000125457214 543882621 /nfs/dbraw/zinc/88/26/21/543882621.db2.gz YAUZPZZADZXXGQ-CFVMTHIKSA-N -1 1 359.470 2.453 20 0 FEADMM C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1c(O)cccc1O ZINC000125814823 543903578 /nfs/dbraw/zinc/90/35/78/543903578.db2.gz XSSRJABSIDJYNN-HNNXBMFYSA-N -1 1 355.438 2.038 20 0 FEADMM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)nc3)cc21 ZINC000126174118 543922453 /nfs/dbraw/zinc/92/24/53/543922453.db2.gz WUDUWJLOFAIXGC-UHFFFAOYSA-N -1 1 369.450 2.451 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)ccc2O1 ZINC000126878220 543961038 /nfs/dbraw/zinc/96/10/38/543961038.db2.gz SMYQUEBXPNFBNP-LLVKDONJSA-N -1 1 363.439 2.428 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129508324 544115975 /nfs/dbraw/zinc/11/59/75/544115975.db2.gz CXBIGGACYWBIMK-ZJUUUORDSA-N -1 1 353.785 2.166 20 0 FEADMM COC(=O)c1sccc1S(=O)(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000130074380 544138006 /nfs/dbraw/zinc/13/80/06/544138006.db2.gz VZGZKRSFWLCSHD-UHFFFAOYSA-N -1 1 365.436 2.198 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1nccs1 ZINC000130829706 544166951 /nfs/dbraw/zinc/16/69/51/544166951.db2.gz JGZLXASSMLLHPI-LLVKDONJSA-N -1 1 352.485 2.457 20 0 FEADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)N1CCOCC1 ZINC000131067716 544175996 /nfs/dbraw/zinc/17/59/96/544175996.db2.gz ZGKDTECHRCASTQ-CQSZACIVSA-N -1 1 364.870 2.114 20 0 FEADMM CCC[C@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1C)c1nn[n-]n1 ZINC000136641766 544375969 /nfs/dbraw/zinc/37/59/69/544375969.db2.gz CSCIHNGNYAWNLU-LBPRGKRZSA-N -1 1 360.809 2.013 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)c1nn[n-]n1 ZINC000136702247 544377495 /nfs/dbraw/zinc/37/74/95/544377495.db2.gz STZXQKZJEASQHI-BXUZGUMPSA-N -1 1 356.434 2.495 20 0 FEADMM O=C(NC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1)c1cccnc1 ZINC000143456903 544422773 /nfs/dbraw/zinc/42/27/73/544422773.db2.gz JECYPHDODOUDDY-UHFFFAOYSA-N -1 1 359.813 2.475 20 0 FEADMM CCOCCO[C@@H](C)C(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000145140084 544432442 /nfs/dbraw/zinc/43/24/42/544432442.db2.gz SLSOMKISGYPFLE-VIFPVBQESA-N -1 1 371.488 2.290 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nn1-c1cc(C)cc(C)c1 ZINC000152574501 544669386 /nfs/dbraw/zinc/66/93/86/544669386.db2.gz YXKRCXHZGXWWJG-HNNXBMFYSA-N -1 1 365.441 2.330 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCS2)o1 ZINC000154363188 544896179 /nfs/dbraw/zinc/89/61/79/544896179.db2.gz LOHSIHNYCGEOLS-HNNXBMFYSA-N -1 1 360.501 2.372 20 0 FEADMM Cn1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)ccc1=O ZINC000154502338 544913933 /nfs/dbraw/zinc/91/39/33/544913933.db2.gz JWLPAZILEYMCLP-UHFFFAOYSA-N -1 1 361.192 2.088 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)CCc1nccs1 ZINC000155188403 544999633 /nfs/dbraw/zinc/99/96/33/544999633.db2.gz AYIQQRBJAKFAQD-UHFFFAOYSA-N -1 1 359.455 2.142 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000185124281 327900987 /nfs/dbraw/zinc/90/09/87/327900987.db2.gz HXTDVKAQXQWCEU-CYBMUJFWSA-N -1 1 358.485 2.085 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000187764129 328044577 /nfs/dbraw/zinc/04/45/77/328044577.db2.gz SIKYJHZKDWRZAD-GJZGRUSLSA-N -1 1 362.451 2.329 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])co1 ZINC000188923425 328117956 /nfs/dbraw/zinc/11/79/56/328117956.db2.gz NQQUALCEJAMCKS-UHFFFAOYSA-N -1 1 350.396 2.330 20 0 FEADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cc2c(cn1)nc[nH]c2=O ZINC000189023629 328124147 /nfs/dbraw/zinc/12/41/47/328124147.db2.gz FWHUNLCOVFLSGD-UHFFFAOYSA-N -1 1 356.392 2.150 20 0 FEADMM C[C@H]1OCCN(C(=O)c2cc(I)ccc2[O-])[C@H]1C ZINC000189492320 328151344 /nfs/dbraw/zinc/15/13/44/328151344.db2.gz KLVYXAQTHQPHQO-DTWKUNHWSA-N -1 1 361.179 2.246 20 0 FEADMM CCn1nccc1N1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1=O ZINC000189882848 328173595 /nfs/dbraw/zinc/17/35/95/328173595.db2.gz LMMDFVGRSZBXQA-ZDUSSCGKSA-N -1 1 362.817 2.187 20 0 FEADMM CCOC1CC(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000191113722 328250353 /nfs/dbraw/zinc/25/03/53/328250353.db2.gz QEGLRLAUAZHWJQ-UHFFFAOYSA-N -1 1 360.458 2.306 20 0 FEADMM O=C(c1ncccc1[O-])N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306864 328259305 /nfs/dbraw/zinc/25/93/05/328259305.db2.gz UYRMEBJARVFPSR-UHFFFAOYSA-N -1 1 373.360 2.010 20 0 FEADMM CCc1nnc(C2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)[nH]1 ZINC000191538283 328270137 /nfs/dbraw/zinc/27/01/37/328270137.db2.gz BDXITCVQKIGIDR-UHFFFAOYSA-N -1 1 372.473 2.076 20 0 FEADMM CCn1cc([C@@H]2CN(C(=O)c3c([O-])cnc4ccccc43)CCO2)cn1 ZINC000191786960 328281907 /nfs/dbraw/zinc/28/19/07/328281907.db2.gz LKBFMNLKCQHXTF-KRWDZBQOSA-N -1 1 352.394 2.371 20 0 FEADMM O=C([N-]OC[C@H]1CCOC1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000191804247 328282952 /nfs/dbraw/zinc/28/29/52/328282952.db2.gz MYTZZNNRNJHDKE-HOCLYGCPSA-N -1 1 354.406 2.277 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1ccnc1)c1ccc(F)c(F)c1F ZINC000193091957 328356930 /nfs/dbraw/zinc/35/69/30/328356930.db2.gz RQSSZWBNVTYOHP-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc(F)ccc3[O-])C[C@H]2C1 ZINC000193440951 328375752 /nfs/dbraw/zinc/37/57/52/328375752.db2.gz ZTMMQTGHJWBJLZ-TXEJJXNPSA-N -1 1 350.390 2.470 20 0 FEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)N1CCc2ccccc21 ZINC000005155056 324348528 /nfs/dbraw/zinc/34/85/28/324348528.db2.gz ZWQDVMPLAUEBMV-UHFFFAOYSA-N -1 1 355.341 2.470 20 0 FEADMM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1ccc(F)c(F)c1F ZINC000056060243 324794778 /nfs/dbraw/zinc/79/47/78/324794778.db2.gz PLSCKIGDQBZVMI-UHFFFAOYSA-N -1 1 371.384 2.446 20 0 FEADMM CCOc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000075809741 324903887 /nfs/dbraw/zinc/90/38/87/324903887.db2.gz BZXLDHDYPCZKFY-UHFFFAOYSA-N -1 1 353.378 2.260 20 0 FEADMM Cn1c(CCNC(=O)Cc2ccc(OC(F)(F)F)cc2)n[n-]c1=S ZINC000078502174 325048921 /nfs/dbraw/zinc/04/89/21/325048921.db2.gz AZXVHRVLLXKICD-UHFFFAOYSA-N -1 1 360.361 2.278 20 0 FEADMM CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000079337586 325087732 /nfs/dbraw/zinc/08/77/32/325087732.db2.gz MIPKZPMPIHCDCS-UHFFFAOYSA-N -1 1 362.813 2.443 20 0 FEADMM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000079746991 325103640 /nfs/dbraw/zinc/10/36/40/325103640.db2.gz MADSXWKPDKGGEB-MRVPVSSYSA-N -1 1 357.657 2.201 20 0 FEADMM COc1cccc([C@@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000084603399 325240258 /nfs/dbraw/zinc/24/02/58/325240258.db2.gz QEFYVBPNTCGTML-LBPRGKRZSA-N -1 1 368.437 2.458 20 0 FEADMM COC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000091047288 325371126 /nfs/dbraw/zinc/37/11/26/325371126.db2.gz RDFJIFFLSXDNBG-OAHLLOKOSA-N -1 1 359.332 2.319 20 0 FEADMM Cn1ccnc1CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000106290184 325593538 /nfs/dbraw/zinc/59/35/38/325593538.db2.gz SLEJKQAZAWEDGP-UHFFFAOYSA-N -1 1 350.422 2.237 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)o1 ZINC000107700726 325633408 /nfs/dbraw/zinc/63/34/08/325633408.db2.gz BIRCVGBDBWMEML-UHFFFAOYSA-N -1 1 358.441 2.299 20 0 FEADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000113082232 325822953 /nfs/dbraw/zinc/82/29/53/325822953.db2.gz ABJILXYQXPQSCY-RKDXNWHRSA-N -1 1 364.261 2.048 20 0 FEADMM Cc1nc(C)c(CC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(=O)[n-]1 ZINC000117312366 326056536 /nfs/dbraw/zinc/05/65/36/326056536.db2.gz FUIVOADNCPMUCT-UHFFFAOYSA-N -1 1 371.281 2.273 20 0 FEADMM CCC[C@@H]1SCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000118649179 326095737 /nfs/dbraw/zinc/09/57/37/326095737.db2.gz CETDPNFLJHHSDV-INIZCTEOSA-N -1 1 358.467 2.384 20 0 FEADMM Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nnn[n-]3)[C@H]2c2cccs2)cc1 ZINC000118685543 326097447 /nfs/dbraw/zinc/09/74/47/326097447.db2.gz GHOSNFDHEBKAJW-WFASDCNBSA-N -1 1 368.422 2.303 20 0 FEADMM Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nn[n-]n3)[C@H]2c2cccs2)cc1 ZINC000118685543 326097448 /nfs/dbraw/zinc/09/74/48/326097448.db2.gz GHOSNFDHEBKAJW-WFASDCNBSA-N -1 1 368.422 2.303 20 0 FEADMM Cn1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc(Cl)c1=O ZINC000118945291 326111622 /nfs/dbraw/zinc/11/16/22/326111622.db2.gz WXLCHSSXJXCKHC-UHFFFAOYSA-N -1 1 352.721 2.257 20 0 FEADMM CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119286744 326145635 /nfs/dbraw/zinc/14/56/35/326145635.db2.gz LONSVVSLKBEGDN-ZETCQYMHSA-N -1 1 358.204 2.167 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)o1 ZINC000119321404 326149726 /nfs/dbraw/zinc/14/97/26/326149726.db2.gz DSRLWCISSWHONN-UHFFFAOYSA-N -1 1 370.452 2.075 20 0 FEADMM CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2F)n1)c1nn[n-]n1 ZINC000119627041 326182151 /nfs/dbraw/zinc/18/21/51/326182151.db2.gz NKLGLPWKESPUTC-LBPRGKRZSA-N -1 1 361.356 2.243 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)[nH]n1 ZINC000119828229 326202793 /nfs/dbraw/zinc/20/27/93/326202793.db2.gz GIPLCLKSMXRQOG-ZDUSSCGKSA-N -1 1 368.422 2.252 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@H](CO)C1 ZINC000120094313 326229921 /nfs/dbraw/zinc/22/99/21/326229921.db2.gz OWXZQUPDRDYGEX-HNNXBMFYSA-N -1 1 374.462 2.332 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000120134938 326233531 /nfs/dbraw/zinc/23/35/31/326233531.db2.gz GBRQHJYUYBTUML-HNNXBMFYSA-N -1 1 368.441 2.461 20 0 FEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121457998 326340007 /nfs/dbraw/zinc/34/00/07/326340007.db2.gz JNGGCHVDQJJWQJ-QMMMGPOBSA-N -1 1 372.231 2.414 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000126087991 326482929 /nfs/dbraw/zinc/48/29/29/326482929.db2.gz GAGBYTRTJAAKFP-ZIAGYGMSSA-N -1 1 370.453 2.080 20 0 FEADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccsc3)ns2)co1 ZINC000132945655 326600423 /nfs/dbraw/zinc/60/04/23/326600423.db2.gz OISKBKORBSWHCU-UHFFFAOYSA-N -1 1 370.437 2.020 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)co1 ZINC000133574043 326611144 /nfs/dbraw/zinc/61/11/44/326611144.db2.gz XUTNTMZXYZLMJV-GFCCVEGCSA-N -1 1 369.468 2.102 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCC[C@H]2CCCC[C@@H]2O)c(=O)[n-]1 ZINC000134449470 326625829 /nfs/dbraw/zinc/62/58/29/326625829.db2.gz KLCAQJUCELFHSX-HIFRSBDPSA-N -1 1 367.515 2.180 20 0 FEADMM CN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151076227 326674237 /nfs/dbraw/zinc/67/42/37/326674237.db2.gz QUSNPCLFIRWBCT-UHFFFAOYSA-N -1 1 358.769 2.115 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2nc(C)c(C)s2)c(=O)[n-]1 ZINC000151494242 326683858 /nfs/dbraw/zinc/68/38/58/326683858.db2.gz MUZCTVUMXUSYLH-UHFFFAOYSA-N -1 1 366.512 2.165 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCCN(C)c2ccccc2)c1 ZINC000152057213 326697900 /nfs/dbraw/zinc/69/79/00/326697900.db2.gz WHAOTFPKVNZYHS-UHFFFAOYSA-N -1 1 366.439 2.261 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000152461394 326707975 /nfs/dbraw/zinc/70/79/75/326707975.db2.gz FCDLJFVMMAHIIB-CZAAIQMYSA-N -1 1 362.433 2.439 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)co1 ZINC000152643984 326712779 /nfs/dbraw/zinc/71/27/79/326712779.db2.gz BPLDQSYVQCARNR-YPMHNXCESA-N -1 1 366.414 2.345 20 0 FEADMM CCc1[nH]nc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1C ZINC000153697338 326740179 /nfs/dbraw/zinc/74/01/79/326740179.db2.gz WCZYEZLSZYTLFT-UHFFFAOYSA-N -1 1 354.432 2.203 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)co1 ZINC000154600050 326764233 /nfs/dbraw/zinc/76/42/33/326764233.db2.gz FKRCECFRHLIAKH-UHFFFAOYSA-N -1 1 374.422 2.149 20 0 FEADMM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(F)cccc1F ZINC000157176269 326857081 /nfs/dbraw/zinc/85/70/81/326857081.db2.gz ASYPMJIPWDVYIB-GFCCVEGCSA-N -1 1 356.398 2.493 20 0 FEADMM CCc1ccc(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)cc1CC ZINC000160252901 326958985 /nfs/dbraw/zinc/95/89/85/326958985.db2.gz ZGHVCDHMHLQEDF-UHFFFAOYSA-N -1 1 350.444 2.224 20 0 FEADMM COc1cccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)n1 ZINC000163435500 327051697 /nfs/dbraw/zinc/05/16/97/327051697.db2.gz BQEYEFLPCPXBMF-UHFFFAOYSA-N -1 1 350.444 2.305 20 0 FEADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000171261559 327128307 /nfs/dbraw/zinc/12/83/07/327128307.db2.gz CICCOSICKXRXHQ-NSHDSACASA-N -1 1 360.801 2.327 20 0 FEADMM COC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000171318965 327131871 /nfs/dbraw/zinc/13/18/71/327131871.db2.gz YXAOSWOPBWSSMT-OAHLLOKOSA-N -1 1 361.467 2.237 20 0 FEADMM O=S(=O)([N-][C@H]1CCCOC1)c1cc(Br)c(F)cc1F ZINC000171539791 327144867 /nfs/dbraw/zinc/14/48/67/327144867.db2.gz IAYYNVUCZMVTOJ-ZETCQYMHSA-N -1 1 356.188 2.185 20 0 FEADMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 ZINC000172367027 327198037 /nfs/dbraw/zinc/19/80/37/327198037.db2.gz FHOOWDSRWNFNJO-QGZVFWFLSA-N -1 1 366.483 2.479 20 0 FEADMM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000172898915 327225472 /nfs/dbraw/zinc/22/54/72/327225472.db2.gz HZCJUKHTLOHTBD-UHFFFAOYSA-N -1 1 361.398 2.327 20 0 FEADMM CCSCC[C@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000173273038 327245512 /nfs/dbraw/zinc/24/55/12/327245512.db2.gz NAJPUEOOHXHMJT-LBPRGKRZSA-N -1 1 360.483 2.331 20 0 FEADMM CN(C)c1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2n1 ZINC000173341654 327250862 /nfs/dbraw/zinc/25/08/62/327250862.db2.gz YZZNTPQDLLODST-UHFFFAOYSA-N -1 1 373.416 2.467 20 0 FEADMM COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000173429666 327256361 /nfs/dbraw/zinc/25/63/61/327256361.db2.gz MITBZFKOZTUQFL-UHFFFAOYSA-N -1 1 372.384 2.091 20 0 FEADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C(=O)N1c1ccccc1 ZINC000173686390 327276714 /nfs/dbraw/zinc/27/67/14/327276714.db2.gz IYHXAJYTUAHFFH-XHDPSFHLSA-N -1 1 366.389 2.437 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1 ZINC000174574188 327335859 /nfs/dbraw/zinc/33/58/59/327335859.db2.gz QXQNCUJDXCPBFD-OAHLLOKOSA-N -1 1 360.435 2.003 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C12CCCC2 ZINC000174582197 327336207 /nfs/dbraw/zinc/33/62/07/327336207.db2.gz SCXGFBBPDJAPLP-JKSUJKDBSA-N -1 1 372.469 2.036 20 0 FEADMM Cc1ccc2nc(CNC(=O)c3ccccc3[N-]S(C)(=O)=O)[nH]c2c1 ZINC000174904584 327360043 /nfs/dbraw/zinc/36/00/43/327360043.db2.gz GUGXIHOJCRNVMK-UHFFFAOYSA-N -1 1 358.423 2.173 20 0 FEADMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926803 327421703 /nfs/dbraw/zinc/42/17/03/327421703.db2.gz ZGCHAINUEPHINJ-QGZVFWFLSA-N -1 1 361.348 2.007 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000176320585 327448662 /nfs/dbraw/zinc/44/86/62/327448662.db2.gz BRTITVUPXNVFHK-CYBMUJFWSA-N -1 1 358.467 2.199 20 0 FEADMM CC[C@H](Oc1ccccc1C)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000176693085 327470531 /nfs/dbraw/zinc/47/05/31/327470531.db2.gz FDTRWDRJQUUJTA-INIZCTEOSA-N -1 1 368.437 2.422 20 0 FEADMM C[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000177362015 327516564 /nfs/dbraw/zinc/51/65/64/327516564.db2.gz FERCLBHHZMTSTD-SFHVURJKSA-N -1 1 360.435 2.084 20 0 FEADMM CCC[C@H](N[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1)C(=O)[O-] ZINC000262316884 328858841 /nfs/dbraw/zinc/85/88/41/328858841.db2.gz URDHOKSEPMJJLW-CJNGLKHVSA-N -1 1 363.458 2.339 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCC(=O)N2CCCCCC2)c(=O)[n-]1 ZINC000263663421 328950111 /nfs/dbraw/zinc/95/01/11/328950111.db2.gz FVVJIOSIRRJALD-UHFFFAOYSA-N -1 1 367.471 2.091 20 0 FEADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc([O-])c(Cl)c1)C2=O ZINC000264931324 329075636 /nfs/dbraw/zinc/07/56/36/329075636.db2.gz NTBMFRNOQBHRKE-BTDLBPIBSA-N -1 1 365.817 2.485 20 0 FEADMM COC(=O)CCCc1nnc(NC(=O)c2ccc(OC)cc2[O-])s1 ZINC000265692993 329150603 /nfs/dbraw/zinc/15/06/03/329150603.db2.gz AGBAWHQXBSWXOC-UHFFFAOYSA-N -1 1 351.384 2.000 20 0 FEADMM CC[C@]([N-]S(=O)(=O)c1cnn(C(C)C)c1)(C(=O)OC)c1ccccc1 ZINC000266233236 329202941 /nfs/dbraw/zinc/20/29/41/329202941.db2.gz YOPVBBUQRGIMJI-QGZVFWFLSA-N -1 1 365.455 2.221 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000266974786 329278789 /nfs/dbraw/zinc/27/87/89/329278789.db2.gz NLDUOLIHXOUMKK-UHFFFAOYSA-N -1 1 373.409 2.326 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccc(C)o1 ZINC000267013578 329283180 /nfs/dbraw/zinc/28/31/80/329283180.db2.gz IIGDKZHRWJYDMN-LLVKDONJSA-N -1 1 359.425 2.102 20 0 FEADMM COc1ccc(NC(=O)N2CCCSCC2)cc1[N-]S(C)(=O)=O ZINC000267243368 329306315 /nfs/dbraw/zinc/30/63/15/329306315.db2.gz XPMFFAOBFIXNGI-UHFFFAOYSA-N -1 1 359.473 2.038 20 0 FEADMM CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(F)ccc3[O-])CC2)no1 ZINC000267484369 329332293 /nfs/dbraw/zinc/33/22/93/329332293.db2.gz DCGOOQBXEHJRPG-UHFFFAOYSA-N -1 1 362.405 2.170 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CN1C1CC1 ZINC000267710593 329351546 /nfs/dbraw/zinc/35/15/46/329351546.db2.gz HZRBYQMMHPEXAS-ZCFIWIBFSA-N -1 1 355.268 2.097 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NC4)ccc2O1 ZINC000267833318 329361492 /nfs/dbraw/zinc/36/14/92/329361492.db2.gz XAIZTLXZEXQHSW-UHFFFAOYSA-N -1 1 358.419 2.444 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3cccc(OC)c3)CC2)o1 ZINC000268173336 329393343 /nfs/dbraw/zinc/39/33/43/329393343.db2.gz JOGORFRAFKUFAS-UHFFFAOYSA-N -1 1 351.380 2.042 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC1(CCO)CCCC1 ZINC000268586068 329436917 /nfs/dbraw/zinc/43/69/17/329436917.db2.gz NXVSFMZVZGURNY-UHFFFAOYSA-N -1 1 370.453 2.154 20 0 FEADMM CC(C)(C)OC(=O)NC1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000269283070 329503672 /nfs/dbraw/zinc/50/36/72/329503672.db2.gz RITSBDPFVPTTJB-UHFFFAOYSA-N -1 1 363.458 2.224 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cn1 ZINC000269670435 329538852 /nfs/dbraw/zinc/53/88/52/329538852.db2.gz YRZOHDPIITZHTI-UHFFFAOYSA-N -1 1 367.324 2.488 20 0 FEADMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000269792029 329549394 /nfs/dbraw/zinc/54/93/94/329549394.db2.gz QXUKAJANSABXBQ-VIFPVBQESA-N -1 1 366.258 2.424 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000269819694 329551704 /nfs/dbraw/zinc/55/17/04/329551704.db2.gz JTNOYMOJTBSXLX-CQSZACIVSA-N -1 1 359.451 2.456 20 0 FEADMM COc1ccc(NC(=O)Nc2c(C)noc2C)cc1[N-]S(C)(=O)=O ZINC000271137901 329665845 /nfs/dbraw/zinc/66/58/45/329665845.db2.gz SPDJTRUAKNNIAK-UHFFFAOYSA-N -1 1 354.388 2.316 20 0 FEADMM NC(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1N1CCCCC1 ZINC000271977775 329741971 /nfs/dbraw/zinc/74/19/71/329741971.db2.gz OIWPZPZKXINAKC-UHFFFAOYSA-N -1 1 355.394 2.439 20 0 FEADMM CCc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1CC ZINC000274918164 329992605 /nfs/dbraw/zinc/99/26/05/329992605.db2.gz AKORYDGSKVDHTF-KRWDZBQOSA-N -1 1 368.499 2.029 20 0 FEADMM CC(C)Cc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275045535 330004809 /nfs/dbraw/zinc/00/48/09/330004809.db2.gz WIFYANKVTBDRIK-QGZVFWFLSA-N -1 1 368.499 2.103 20 0 FEADMM COc1cc(/C=C/C(=O)[O-])ccc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000276070175 330116508 /nfs/dbraw/zinc/11/65/08/330116508.db2.gz MJSCNVZXNGFPBV-STMXVASLSA-N -1 1 355.412 2.104 20 0 FEADMM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000286411875 330182390 /nfs/dbraw/zinc/18/23/90/330182390.db2.gz RUHKSDNOSBSGPP-CQSZACIVSA-N -1 1 362.451 2.041 20 0 FEADMM O=C(NC1CCN(Cc2ccccn2)CC1)c1s[n-]c(=O)c1Cl ZINC000367114386 330218385 /nfs/dbraw/zinc/21/83/85/330218385.db2.gz OJKBJHGELSKFLI-UHFFFAOYSA-N -1 1 352.847 2.292 20 0 FEADMM CCOCCCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804927979 674307416 /nfs/dbraw/zinc/30/74/16/674307416.db2.gz MFKKGDXOBPGFRB-AVGNSLFASA-N -1 1 367.412 2.290 20 0 FEADMM O=S(=O)(Cc1ccccc1Br)[N-]Cc1nc(C2CC2)no1 ZINC000804959145 674309169 /nfs/dbraw/zinc/30/91/69/674309169.db2.gz BEBKKTQGZNOKNK-UHFFFAOYSA-N -1 1 372.244 2.329 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2ccc(SC)cc2)o1 ZINC000805397425 674335030 /nfs/dbraw/zinc/33/50/30/674335030.db2.gz GMARDAQVHALUOQ-UHFFFAOYSA-N -1 1 371.436 2.145 20 0 FEADMM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1c(C)onc1N ZINC000554900714 674340654 /nfs/dbraw/zinc/34/06/54/674340654.db2.gz UEZINDWENIOAGD-UFBFGSQYSA-N -1 1 359.835 2.273 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(N)=O)c(Cl)n2)c1 ZINC000805572483 674345730 /nfs/dbraw/zinc/34/57/30/674345730.db2.gz FOJBSGMVLFTOFH-UHFFFAOYSA-N -1 1 362.769 2.142 20 0 FEADMM O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155632665 545552064 /nfs/dbraw/zinc/55/20/64/545552064.db2.gz FUPJHEMPYKPDFD-LBPRGKRZSA-N -1 1 372.429 2.406 20 0 FEADMM C[C@@H](CCCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000155880397 545579481 /nfs/dbraw/zinc/57/94/81/545579481.db2.gz XIOWTIWSUBENIA-AWEZNQCLSA-N -1 1 362.451 2.378 20 0 FEADMM CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000477302798 561141572 /nfs/dbraw/zinc/14/15/72/561141572.db2.gz OKFSCFCQYTZJMX-NSHDSACASA-N -1 1 355.232 2.143 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000156492138 545630666 /nfs/dbraw/zinc/63/06/66/545630666.db2.gz RLQQYBYCBDYBOF-OLZOCXBDSA-N -1 1 372.462 2.011 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@](C)(O)c1cccs1 ZINC000156552259 545636082 /nfs/dbraw/zinc/63/60/82/545636082.db2.gz IUNZFQQJSCZGKV-SFHVURJKSA-N -1 1 374.466 2.070 20 0 FEADMM CC[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000156762005 545656992 /nfs/dbraw/zinc/65/69/92/545656992.db2.gz AHBNRPBCWIUKEO-SSDOTTSWSA-N -1 1 358.204 2.167 20 0 FEADMM CC(=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])nc1C ZINC000158036593 545814363 /nfs/dbraw/zinc/81/43/63/545814363.db2.gz BAQBSMHGWIMUJP-UHFFFAOYSA-N -1 1 350.378 2.480 20 0 FEADMM CC(=O)c1ccc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)nc1C ZINC000158036593 545814366 /nfs/dbraw/zinc/81/43/66/545814366.db2.gz BAQBSMHGWIMUJP-UHFFFAOYSA-N -1 1 350.378 2.480 20 0 FEADMM COC(=O)c1cc(F)cc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c1F ZINC000478104850 561159973 /nfs/dbraw/zinc/15/99/73/561159973.db2.gz WJQPXRGIJIPQJY-UHFFFAOYSA-N -1 1 361.308 2.058 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCOc1ccccc1 ZINC000159048852 545918182 /nfs/dbraw/zinc/91/81/82/545918182.db2.gz BVCUTKFRBGRRGC-UHFFFAOYSA-N -1 1 354.410 2.180 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1nc2ccccc2[nH]1 ZINC000159282006 545939450 /nfs/dbraw/zinc/93/94/50/545939450.db2.gz AAAYAZHMQSLSIX-UHFFFAOYSA-N -1 1 350.382 2.499 20 0 FEADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1F ZINC000478712104 561173474 /nfs/dbraw/zinc/17/34/74/561173474.db2.gz VWBSLFXQYHCEOB-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1nc(-c2cccc(F)c2)cs1 ZINC000479079784 561181036 /nfs/dbraw/zinc/18/10/36/561181036.db2.gz QRSOBGRQHGDSIP-UHFFFAOYSA-N -1 1 372.381 2.418 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nccs2)cc1 ZINC000479081708 561181212 /nfs/dbraw/zinc/18/12/12/561181212.db2.gz ZSECVIIRPOSTSN-UHFFFAOYSA-N -1 1 354.391 2.279 20 0 FEADMM CCc1nc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n[nH]1 ZINC000479128533 561182079 /nfs/dbraw/zinc/18/20/79/561182079.db2.gz DVTRUNYEWHZXIV-UHFFFAOYSA-N -1 1 369.282 2.358 20 0 FEADMM CC(C)(C)c1ccc(CCNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000479315063 561187041 /nfs/dbraw/zinc/18/70/41/561187041.db2.gz KVTUUPNHRVRYDM-UHFFFAOYSA-N -1 1 355.438 2.173 20 0 FEADMM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000175872382 546365330 /nfs/dbraw/zinc/36/53/30/546365330.db2.gz WCBMCMSYKAZONZ-QFIPXVFZSA-N -1 1 363.382 2.320 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCOC)c2ccc(C)o2)o1 ZINC000480049853 561202091 /nfs/dbraw/zinc/20/20/91/561202091.db2.gz HFCXPMZQXSKHEU-LBPRGKRZSA-N -1 1 371.411 2.414 20 0 FEADMM C[C@H](NC(=O)c1cnc2ccccc2c1O)C1([NH+]2CCOCC2)CCCC1 ZINC000175932047 546374477 /nfs/dbraw/zinc/37/44/77/546374477.db2.gz GISYCHKMWHIQIS-HNNXBMFYSA-N -1 1 369.465 2.291 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2c(C)c3ccccc3n2C)c1 ZINC000480418145 561208855 /nfs/dbraw/zinc/20/88/55/561208855.db2.gz PXZPDBVQZQSLPX-UHFFFAOYSA-N -1 1 362.407 2.345 20 0 FEADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nc[nH]n1 ZINC000176747060 546482961 /nfs/dbraw/zinc/48/29/61/546482961.db2.gz NMRHYPFTIRRKCP-GFCCVEGCSA-N -1 1 371.422 2.097 20 0 FEADMM CCC[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nn[n-]n1 ZINC000176775194 546485975 /nfs/dbraw/zinc/48/59/75/546485975.db2.gz AMNFUEUDNSKSFZ-NRXISQOPSA-N -1 1 362.478 2.022 20 0 FEADMM O=C(CCCOc1ccc2c(c1)OCO2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000480648449 561213588 /nfs/dbraw/zinc/21/35/88/561213588.db2.gz VNPYMIRAZDDDNS-UHFFFAOYSA-N -1 1 358.276 2.350 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2c(Cl)cccc2OC)c1 ZINC000480741461 561215728 /nfs/dbraw/zinc/21/57/28/561215728.db2.gz SGANQEHYGAVFHN-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](OC)C2(CC)CC)o1 ZINC000480874734 561219047 /nfs/dbraw/zinc/21/90/47/561219047.db2.gz YQJXYIRGSORFMY-OLZOCXBDSA-N -1 1 359.444 2.328 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2nc(C)cs2)o1 ZINC000177508391 546634026 /nfs/dbraw/zinc/63/40/26/546634026.db2.gz FAARWULYKHLPTQ-UHFFFAOYSA-N -1 1 358.441 2.435 20 0 FEADMM O=S(=O)([N-][C@H]1Cc2ccccc2[C@@H]1O)c1sccc1Br ZINC000178703822 546834963 /nfs/dbraw/zinc/83/49/63/546834963.db2.gz CEYRPFSUCYQYNK-RYUDHWBXSA-N -1 1 374.281 2.447 20 0 FEADMM COc1cccc2c(N3CCN(c4nc(=N)[n-]s4)CC3)cc(C)nc12 ZINC000481989087 561246919 /nfs/dbraw/zinc/24/69/19/561246919.db2.gz HYPFOTZCWYVSCV-UHFFFAOYSA-N -1 1 356.455 2.312 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C/c2ccc(F)cc2)c1 ZINC000179537759 546973394 /nfs/dbraw/zinc/97/33/94/546973394.db2.gz NMSZFWCUHNXFHA-OWOJBTEDSA-N -1 1 350.371 2.221 20 0 FEADMM CCOc1cccnc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000482107743 561248561 /nfs/dbraw/zinc/24/85/61/561248561.db2.gz FKJKJICKHWQVAZ-UHFFFAOYSA-N -1 1 365.411 2.113 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)o1 ZINC000179853084 547022105 /nfs/dbraw/zinc/02/21/05/547022105.db2.gz SLMZVQCFIDPJMR-UHFFFAOYSA-N -1 1 370.337 2.254 20 0 FEADMM O=C(CCc1ccc(Br)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000482305582 561252193 /nfs/dbraw/zinc/25/21/93/561252193.db2.gz CSQPGNAMCJJRTC-UHFFFAOYSA-N -1 1 364.247 2.481 20 0 FEADMM COCCN(C[C@H]1CC=CCC1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000483033877 561265483 /nfs/dbraw/zinc/26/54/83/561265483.db2.gz WPDZEZWYMLXTKH-INIZCTEOSA-N -1 1 372.469 2.426 20 0 FEADMM CC[C@@H]1CCc2nc(NC(=O)CNC(=O)c3ncccc3[O-])sc2C1 ZINC000483239794 561271608 /nfs/dbraw/zinc/27/16/08/561271608.db2.gz AISLLBCMFYZGMA-SNVBAGLBSA-N -1 1 360.439 2.127 20 0 FEADMM COc1cc(NC(=O)N2CCOC(C)(C)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000483366668 561275056 /nfs/dbraw/zinc/27/50/56/561275056.db2.gz ODSBVFYRGFXNTH-LLVKDONJSA-N -1 1 371.459 2.098 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1sccc1Br)c2=O ZINC000181876422 547397388 /nfs/dbraw/zinc/39/73/88/547397388.db2.gz BIHKCJKWXNVPOO-UHFFFAOYSA-N -1 1 367.228 2.428 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2c(C)c(C)n[nH]c2=O)c1 ZINC000182916809 547572113 /nfs/dbraw/zinc/57/21/13/547572113.db2.gz VRELMWMLHHZAPB-UHFFFAOYSA-N -1 1 352.188 2.416 20 0 FEADMM COc1cccc(C=CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1OC(F)F ZINC000183409632 547653253 /nfs/dbraw/zinc/65/32/53/547653253.db2.gz LZHFDFBEQSKREA-DMEOUFDRSA-N -1 1 367.356 2.085 20 0 FEADMM Cc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC000183419586 547655762 /nfs/dbraw/zinc/65/57/62/547655762.db2.gz XKKXOGADIHAKEO-JTQLQIEISA-N -1 1 359.821 2.223 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1ncc(-c2ccccc2F)o1)c1nn[n-]n1 ZINC000183449488 547661820 /nfs/dbraw/zinc/66/18/20/547661820.db2.gz LOIUKUGVOVIVCG-NSHDSACASA-N -1 1 358.377 2.189 20 0 FEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000183663468 547697340 /nfs/dbraw/zinc/69/73/40/547697340.db2.gz FNTCHPZKDKZRIC-LBPRGKRZSA-N -1 1 360.311 2.021 20 0 FEADMM CCc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1-c1ccccc1Cl ZINC000484909531 561308607 /nfs/dbraw/zinc/30/86/07/561308607.db2.gz NGRQXLBYZOECTR-UHFFFAOYSA-N -1 1 357.805 2.020 20 0 FEADMM CN(CC[N@H+](C)C1CC1)C(=O)c1cc(I)ccc1[O-] ZINC000184501472 547837189 /nfs/dbraw/zinc/83/71/89/547837189.db2.gz GRIMIYPTOFRUAT-UHFFFAOYSA-N -1 1 374.222 2.163 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000184915788 547899339 /nfs/dbraw/zinc/89/93/39/547899339.db2.gz PANBLENVILGXFL-GXTWGEPZSA-N -1 1 368.499 2.400 20 0 FEADMM CCC[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485414977 561318679 /nfs/dbraw/zinc/31/86/79/561318679.db2.gz XLEZTADPDCRUCY-INIZCTEOSA-N -1 1 355.438 2.435 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCSC[C@@H]1c1nccs1 ZINC000186055184 548078757 /nfs/dbraw/zinc/07/87/57/548078757.db2.gz SZJFOPHEZKSWMV-GFCCVEGCSA-N -1 1 358.448 2.310 20 0 FEADMM Cc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1C ZINC000485943705 561333035 /nfs/dbraw/zinc/33/30/35/561333035.db2.gz IENAIMQRJZUDKI-MRXNPFEDSA-N -1 1 353.422 2.498 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC[C@H]1O ZINC000186755135 548185310 /nfs/dbraw/zinc/18/53/10/548185310.db2.gz RMXVOSLJAUPELJ-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM CCOc1cc(C(=O)N2CCN(c3cnccn3)CC2)cc(Cl)c1[O-] ZINC000192659361 548369810 /nfs/dbraw/zinc/36/98/10/548369810.db2.gz RGYVPBNNUCAAEL-UHFFFAOYSA-N -1 1 362.817 2.197 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1 ZINC000486573821 561351201 /nfs/dbraw/zinc/35/12/01/561351201.db2.gz JWCLTPVWNAXBDE-UHFFFAOYSA-N -1 1 374.397 2.395 20 0 FEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000486762359 561355981 /nfs/dbraw/zinc/35/59/81/561355981.db2.gz YLPSYRIPAXOPAO-UHFFFAOYSA-N -1 1 353.375 2.404 20 0 FEADMM Cn1cnnc1-c1cncc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000194625519 548507742 /nfs/dbraw/zinc/50/77/42/548507742.db2.gz MJRANKMGRZKJJB-UHFFFAOYSA-N -1 1 365.365 2.097 20 0 FEADMM CC(C)OCCS(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195117163 548579784 /nfs/dbraw/zinc/57/97/84/548579784.db2.gz VNUZJALWQIIKGK-UHFFFAOYSA-N -1 1 359.835 2.236 20 0 FEADMM CC(C)OCCS(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195117163 548579785 /nfs/dbraw/zinc/57/97/85/548579785.db2.gz VNUZJALWQIIKGK-UHFFFAOYSA-N -1 1 359.835 2.236 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1COc2ccccc2C1 ZINC000195476931 548647368 /nfs/dbraw/zinc/64/73/68/548647368.db2.gz GUKGTYINJDDDLV-OAHLLOKOSA-N -1 1 366.421 2.104 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)o1 ZINC000487160323 561365186 /nfs/dbraw/zinc/36/51/86/561365186.db2.gz XTXIMIAROUKGLE-DOMZBBRYSA-N -1 1 359.444 2.186 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000237571641 548835102 /nfs/dbraw/zinc/83/51/02/548835102.db2.gz DALPOJVIBKCAMO-TZMCWYRMSA-N -1 1 354.472 2.092 20 0 FEADMM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000488247552 561386837 /nfs/dbraw/zinc/38/68/37/561386837.db2.gz GLCKFNAXVIPCJB-UHFFFAOYSA-N -1 1 372.443 2.233 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000248515424 549452666 /nfs/dbraw/zinc/45/26/66/549452666.db2.gz FZYSTFUBXUJNHR-KCXAZCMYSA-N -1 1 371.441 2.285 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000248886593 549522067 /nfs/dbraw/zinc/52/20/67/549522067.db2.gz QTSWNLHZHIYZTD-NWDGAFQWSA-N -1 1 374.890 2.437 20 0 FEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000489602016 561415282 /nfs/dbraw/zinc/41/52/82/561415282.db2.gz DIEFUDGHZCGWSC-TZMCWYRMSA-N -1 1 357.385 2.061 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000262932649 549863771 /nfs/dbraw/zinc/86/37/71/549863771.db2.gz BKZNWHOEPFCDAF-FQEVSTJZSA-N -1 1 368.437 2.485 20 0 FEADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000263642960 549911636 /nfs/dbraw/zinc/91/16/36/549911636.db2.gz CHDVYGVOQZNKKO-UHFFFAOYSA-N -1 1 369.377 2.007 20 0 FEADMM C[C@@H]1C[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000263916141 549955035 /nfs/dbraw/zinc/95/50/35/549955035.db2.gz CDNVZBXMWKMEMS-IAQYHMDHSA-N -1 1 374.418 2.354 20 0 FEADMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000263939293 549957570 /nfs/dbraw/zinc/95/75/70/549957570.db2.gz JXGOYWJVRSSKSS-RXLGXGPVSA-N -1 1 363.365 2.020 20 0 FEADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccnc3C)ccc2O1 ZINC000269681543 550216338 /nfs/dbraw/zinc/21/63/38/550216338.db2.gz FLWHKLIFHKZOTP-INIZCTEOSA-N -1 1 362.407 2.057 20 0 FEADMM CC(C)c1nc([C@@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)n[nH]1 ZINC000270729485 550301572 /nfs/dbraw/zinc/30/15/72/550301572.db2.gz JLYMZQAADUSUJY-MRVPVSSYSA-N -1 1 358.427 2.357 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)c([O-])c1 ZINC000271047377 550335109 /nfs/dbraw/zinc/33/51/09/550335109.db2.gz SFEPBNOYXIGSPA-UHFFFAOYSA-N -1 1 370.405 2.434 20 0 FEADMM NC(=O)CCC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000271066397 550336909 /nfs/dbraw/zinc/33/69/09/550336909.db2.gz JLGANABPJPRLAM-UHFFFAOYSA-N -1 1 355.232 2.272 20 0 FEADMM CS(=O)(=O)c1csc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1 ZINC000271161761 550347188 /nfs/dbraw/zinc/34/71/88/550347188.db2.gz KMFYJASRJOVZDH-UHFFFAOYSA-N -1 1 371.387 2.360 20 0 FEADMM COCCC1(CNC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CC1 ZINC000494185902 561464111 /nfs/dbraw/zinc/46/41/11/561464111.db2.gz NTYNMTGZPLBTTC-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM C[C@]1(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCOC1 ZINC000271384131 550371077 /nfs/dbraw/zinc/37/10/77/550371077.db2.gz HZCUIFXVWINHTI-AWEZNQCLSA-N -1 1 362.304 2.412 20 0 FEADMM C[N@@H+]1CC=C(CNC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000271895242 550409334 /nfs/dbraw/zinc/40/93/34/550409334.db2.gz NSNXYAPCFMCIPK-UHFFFAOYSA-N -1 1 354.248 2.216 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1OC ZINC000273848337 550513587 /nfs/dbraw/zinc/51/35/87/550513587.db2.gz HBZVRCLBHQGBFE-QHCPKHFHSA-N -1 1 369.464 2.383 20 0 FEADMM CCOc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)CC)cc(Cl)c1[O-] ZINC000273975912 550517587 /nfs/dbraw/zinc/51/75/87/550517587.db2.gz SRMKZRRBEGGWIK-GFCCVEGCSA-N -1 1 372.874 2.438 20 0 FEADMM C[C@@H]1CN(Cc2csc(NC([O-])=NO[C@H]3CCCCO3)n2)C[C@@H](C)O1 ZINC000274742552 550551491 /nfs/dbraw/zinc/55/14/91/550551491.db2.gz KIBSELONQMVYCJ-BZPMIXESSA-N -1 1 370.475 2.332 20 0 FEADMM C[C@@H]1CN(Cc2csc(NC(=O)[N-]O[C@H]3CCCCO3)n2)C[C@@H](C)O1 ZINC000274742552 550551493 /nfs/dbraw/zinc/55/14/93/550551493.db2.gz KIBSELONQMVYCJ-BZPMIXESSA-N -1 1 370.475 2.332 20 0 FEADMM COC(=O)c1c[n-]c(SCc2csc(N(C(C)=O)C3CC3)n2)n1 ZINC000274932705 550565760 /nfs/dbraw/zinc/56/57/60/550565760.db2.gz PHMJFPSRCGAUDB-UHFFFAOYSA-N -1 1 352.441 2.460 20 0 FEADMM COc1cc(NC(=O)N2CCS[C@@H](C)CC2)ccc1[N-]S(C)(=O)=O ZINC000494717733 561475174 /nfs/dbraw/zinc/47/51/74/561475174.db2.gz KRVOXBUKVUHPKN-NSHDSACASA-N -1 1 373.500 2.426 20 0 FEADMM C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000278202518 550760159 /nfs/dbraw/zinc/76/01/59/550760159.db2.gz NYPICSSVSTYDLU-QMMMGPOBSA-N -1 1 363.374 2.406 20 0 FEADMM C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000278202518 550760161 /nfs/dbraw/zinc/76/01/61/550760161.db2.gz NYPICSSVSTYDLU-QMMMGPOBSA-N -1 1 363.374 2.406 20 0 FEADMM CC1(C)CC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])O1 ZINC000278831809 550826905 /nfs/dbraw/zinc/82/69/05/550826905.db2.gz QRAONHKEDLJOGX-HNNXBMFYSA-N -1 1 368.455 2.073 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ncon2)C(C)C)c(=O)[n-]1 ZINC000279136883 550857883 /nfs/dbraw/zinc/85/78/83/550857883.db2.gz FQDBDMRHHRIXFR-GFCCVEGCSA-N -1 1 351.432 2.042 20 0 FEADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@@H](c2ccccc2)O1 ZINC000279285100 550873468 /nfs/dbraw/zinc/87/34/68/550873468.db2.gz KMGNKPZHYLRERD-POIPMWQWSA-N -1 1 351.410 2.336 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)c3cccc(OC[C@H]4CCCO4)c3)ccnc1-2 ZINC000279746035 550924355 /nfs/dbraw/zinc/92/43/55/550924355.db2.gz KSCIERFLUHPSNU-XQEBGNCTSA-N -1 1 352.394 2.152 20 0 FEADMM Cc1c(Br)ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1F ZINC000279875142 550938273 /nfs/dbraw/zinc/93/82/73/550938273.db2.gz YFHXBUNPXYXICP-SSDOTTSWSA-N -1 1 356.199 2.285 20 0 FEADMM COCCN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000280556722 551007330 /nfs/dbraw/zinc/00/73/30/551007330.db2.gz JWLFLVIYDNONGL-SNVBAGLBSA-N -1 1 371.261 2.132 20 0 FEADMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280607927 551012876 /nfs/dbraw/zinc/01/28/76/551012876.db2.gz QDXCAJXSSLBZEQ-GFCCVEGCSA-N -1 1 360.234 2.198 20 0 FEADMM O=C(C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc([O-])cc1 ZINC000280796872 551033237 /nfs/dbraw/zinc/03/32/37/551033237.db2.gz PNTBOQRHJKTMFH-UHFFFAOYSA-N -1 1 365.389 2.082 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O)OCO2 ZINC000280886108 551042540 /nfs/dbraw/zinc/04/25/40/551042540.db2.gz DTOZEQNLAVRNFE-HSZRJFAPSA-N -1 1 367.448 2.403 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc(Cl)c1[O-] ZINC000530058629 562396299 /nfs/dbraw/zinc/39/62/99/562396299.db2.gz ACUQAHBMOIOEBR-NEPJUHHUSA-N -1 1 373.858 2.236 20 0 FEADMM 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/nfs/dbraw/zinc/74/89/06/552748906.db2.gz ABEDPNCEFCQZLN-UHFFFAOYSA-N -1 1 354.379 2.109 20 0 FEADMM COCc1nc([C@@H]2CCCCN2C(=O)c2s[n-]c(=O)c2Cl)n[nH]1 ZINC000292851317 552765022 /nfs/dbraw/zinc/76/50/22/552765022.db2.gz XYSNRMJUMVTIIK-ZETCQYMHSA-N -1 1 357.823 2.134 20 0 FEADMM CCc1cc(NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n(C)n1 ZINC000293387118 552818191 /nfs/dbraw/zinc/81/81/91/552818191.db2.gz QCMHYWBDNFWHNA-MWLCHTKSSA-N -1 1 361.368 2.046 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(C(F)(F)F)n1 ZINC000293459403 552826172 /nfs/dbraw/zinc/82/61/72/552826172.db2.gz LBRWUHAEOHZDBX-UHFFFAOYSA-N -1 1 355.288 2.196 20 0 FEADMM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293505960 552830440 /nfs/dbraw/zinc/83/04/40/552830440.db2.gz NZCINEJHRRPSEL-UHFFFAOYSA-N -1 1 365.352 2.407 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000293598673 552839022 /nfs/dbraw/zinc/83/90/22/552839022.db2.gz BRORFLMSJIXHNT-ZYHUDNBSSA-N -1 1 368.359 2.163 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000294985569 552949418 /nfs/dbraw/zinc/94/94/18/552949418.db2.gz ZNPUIIMSFBLLNJ-AWEZNQCLSA-N -1 1 374.485 2.165 20 0 FEADMM COc1ccccc1N1CC[C@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000295007313 552951095 /nfs/dbraw/zinc/95/10/95/552951095.db2.gz CJNUCYMFVBWBAR-ZDUSSCGKSA-N -1 1 369.450 2.035 20 0 FEADMM CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000295111099 552959764 /nfs/dbraw/zinc/95/97/64/552959764.db2.gz LDKFFOLZGABCIO-UHFFFAOYSA-N -1 1 362.455 2.212 20 0 FEADMM O=C(C[N-]C(=O)C(F)(F)c1ccccc1Br)NCC(F)F ZINC000295252299 552976189 /nfs/dbraw/zinc/97/61/89/552976189.db2.gz ZEVFFFGGFBAQIS-UHFFFAOYSA-N -1 1 371.128 2.038 20 0 FEADMM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000295406611 553001476 /nfs/dbraw/zinc/00/14/76/553001476.db2.gz VZBUEXVHRLATEN-UHFFFAOYSA-N -1 1 372.231 2.414 20 0 FEADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000295538691 553022520 /nfs/dbraw/zinc/02/25/20/553022520.db2.gz KRMHWKUYPZMFQQ-MRVPVSSYSA-N -1 1 351.255 2.186 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000502433701 561618395 /nfs/dbraw/zinc/61/83/95/561618395.db2.gz XVTATBGNVRDURW-UHFFFAOYSA-N -1 1 363.317 2.382 20 0 FEADMM CC[C@@H](C)[C@H](CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)OC ZINC000296322208 553140914 /nfs/dbraw/zinc/14/09/14/553140914.db2.gz ZDDPAFQAEFAUNL-WBMJQRKESA-N -1 1 358.442 2.272 20 0 FEADMM CC[C@H](C)[C@H](CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)OC ZINC000296322201 553140967 /nfs/dbraw/zinc/14/09/67/553140967.db2.gz ZDDPAFQAEFAUNL-LRDDRELGSA-N -1 1 358.442 2.272 20 0 FEADMM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000296365061 553148079 /nfs/dbraw/zinc/14/80/79/553148079.db2.gz GFZPWVDMHZAUQS-ZDUSSCGKSA-N -1 1 356.361 2.203 20 0 FEADMM COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c([O-])c1 ZINC000298116498 553386317 /nfs/dbraw/zinc/38/63/17/553386317.db2.gz RTFWHBVKIDLYBX-UHFFFAOYSA-N -1 1 355.394 2.352 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)o1 ZINC000298530991 553436576 /nfs/dbraw/zinc/43/65/76/553436576.db2.gz ZEYHYEJUPBWBBH-GFCCVEGCSA-N -1 1 366.439 2.466 20 0 FEADMM O=c1nc([C@H]2CCCCN2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)[nH][n-]1 ZINC000298534242 553436863 /nfs/dbraw/zinc/43/68/63/553436863.db2.gz MKPAGZJBYQKYDF-GFCCVEGCSA-N -1 1 360.805 2.127 20 0 FEADMM COc1ccc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1O ZINC000298778567 553471699 /nfs/dbraw/zinc/47/16/99/553471699.db2.gz JSWIPUQDYMXJMF-UHFFFAOYSA-N -1 1 363.439 2.176 20 0 FEADMM O=C(c1ccc(OC(F)(F)Cl)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298895856 553486601 /nfs/dbraw/zinc/48/66/01/553486601.db2.gz KDSZXEWPAREKPJ-JTQLQIEISA-N -1 1 372.759 2.286 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000503975523 561651079 /nfs/dbraw/zinc/65/10/79/561651079.db2.gz XGWDCKWZCSFDHJ-UHFFFAOYSA-N -1 1 358.358 2.080 20 0 FEADMM COc1ccc(NC(=O)NCCOCCC(C)C)cc1[N-]S(C)(=O)=O ZINC000299339787 553550163 /nfs/dbraw/zinc/55/01/63/553550163.db2.gz MPGNSHYCYRZRKF-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299538863 553578217 /nfs/dbraw/zinc/57/82/17/553578217.db2.gz APADWYVFBCMMHS-JTQLQIEISA-N -1 1 365.411 2.042 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCSCC1 ZINC000299565248 553582018 /nfs/dbraw/zinc/58/20/18/553582018.db2.gz ARKVXIVPGMUFIO-UHFFFAOYSA-N -1 1 358.467 2.451 20 0 FEADMM CCOC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000299601808 553587165 /nfs/dbraw/zinc/58/71/65/553587165.db2.gz XTSQPNSVIJKLKV-CYBMUJFWSA-N -1 1 367.471 2.089 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c[nH]1 ZINC000299624908 553590573 /nfs/dbraw/zinc/59/05/73/553590573.db2.gz REPPHBOSQDMBGY-ZDUSSCGKSA-N -1 1 366.395 2.072 20 0 FEADMM CCOC(=O)N1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301157423 553627045 /nfs/dbraw/zinc/62/70/45/553627045.db2.gz DKSSKXQUCFLHGR-UHFFFAOYSA-N -1 1 357.414 2.140 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(c4nncn4C)CC3)nc2)[n-]c(=O)c1C ZINC000301375846 553646710 /nfs/dbraw/zinc/64/67/10/553646710.db2.gz RHZZZKHEIZIOIN-UHFFFAOYSA-N -1 1 365.441 2.374 20 0 FEADMM Cc1cc(NC(=O)c2ccc(I)c([O-])c2)nn1C ZINC000310686005 553753145 /nfs/dbraw/zinc/75/31/45/553753145.db2.gz UUEZVFKEHMKFGX-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000310633077 553753471 /nfs/dbraw/zinc/75/34/71/553753471.db2.gz MKTUIUYXCQJJIE-KCJUWKMLSA-N -1 1 361.179 2.152 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](O)C3CC3)c2)c1 ZINC000505647314 561676289 /nfs/dbraw/zinc/67/62/89/561676289.db2.gz UFVDDKPCWLXCDK-SFHVURJKSA-N -1 1 374.462 2.297 20 0 FEADMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1O ZINC000328161103 553793015 /nfs/dbraw/zinc/79/30/15/553793015.db2.gz QPFVYQLWDKLMSS-UHFFFAOYSA-N -1 1 365.363 2.053 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1NC(C)=O ZINC000328365534 553794247 /nfs/dbraw/zinc/79/42/47/553794247.db2.gz JJAYSSQJHCIIJQ-UHFFFAOYSA-N -1 1 366.443 2.475 20 0 FEADMM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505744780 561679045 /nfs/dbraw/zinc/67/90/45/561679045.db2.gz SOTWCCASDIMFSU-ZDUSSCGKSA-N -1 1 366.439 2.209 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1C(=O)[O-] ZINC000505803686 561681446 /nfs/dbraw/zinc/68/14/46/561681446.db2.gz UYSHMLVJOABKMK-HNNXBMFYSA-N -1 1 354.472 2.092 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)cn1 ZINC000506576879 561702657 /nfs/dbraw/zinc/70/26/57/561702657.db2.gz GMNVPPXQOMAQBW-UHFFFAOYSA-N -1 1 354.409 2.311 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000506593586 561703124 /nfs/dbraw/zinc/70/31/24/561703124.db2.gz JNTDFPVOXJUXNP-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000506691610 561706160 /nfs/dbraw/zinc/70/61/60/561706160.db2.gz ZWMCYKZYHVVMAK-UHFFFAOYSA-N -1 1 369.370 2.480 20 0 FEADMM Cc1cc(N2CC[C@H](Sc3nc(C(F)(F)F)cc(=O)[n-]3)C2=O)n(C)n1 ZINC000329803889 554008677 /nfs/dbraw/zinc/00/86/77/554008677.db2.gz JYKHHKKRUNNHOH-QMMMGPOBSA-N -1 1 373.360 2.141 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)ccc1F ZINC000507544950 561732536 /nfs/dbraw/zinc/73/25/36/561732536.db2.gz CXFMPPJSYOUKLD-UHFFFAOYSA-N -1 1 372.443 2.097 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000330505081 554130336 /nfs/dbraw/zinc/13/03/36/554130336.db2.gz FXCLJPDPKOUUBP-JQWIXIFHSA-N -1 1 362.854 2.404 20 0 FEADMM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)n1C ZINC000508209038 561755194 /nfs/dbraw/zinc/75/51/94/561755194.db2.gz PUOFYDUIEOEZER-UHFFFAOYSA-N -1 1 351.428 2.156 20 0 FEADMM CCC1(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCOCC1 ZINC000330738846 554164944 /nfs/dbraw/zinc/16/49/44/554164944.db2.gz NZQVEJSQTCWVEA-UHFFFAOYSA-N -1 1 356.444 2.212 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(Oc2ccccn2)c1 ZINC000508392555 561761000 /nfs/dbraw/zinc/76/10/00/561761000.db2.gz FEHVFOASNIWDQF-UHFFFAOYSA-N -1 1 364.361 2.343 20 0 FEADMM O=S(=O)([N-]C[C@]1(O)CCSC1)c1c(Cl)cc(F)cc1Cl ZINC000331238520 554234583 /nfs/dbraw/zinc/23/45/83/554234583.db2.gz VUAXOMKYSSMKHR-LLVKDONJSA-N -1 1 360.259 2.279 20 0 FEADMM COc1cc(C(=O)N2CCC([C@@H](C)NC(C)=O)CC2)cc(Cl)c1[O-] ZINC000331295632 554243063 /nfs/dbraw/zinc/24/30/63/554243063.db2.gz YODOEZHYIGSDSR-SNVBAGLBSA-N -1 1 354.834 2.431 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c1 ZINC000509097577 561784750 /nfs/dbraw/zinc/78/47/50/561784750.db2.gz IGZAAXPURFGICM-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)sc1S(N)(=O)=O ZINC000509187382 561788917 /nfs/dbraw/zinc/78/89/17/561788917.db2.gz WLOPMOQPBJIBHQ-UHFFFAOYSA-N -1 1 362.816 2.015 20 0 FEADMM Cn1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(-c2ccccc2)n1 ZINC000509297270 561794256 /nfs/dbraw/zinc/79/42/56/561794256.db2.gz XJENKBHSCHHZEZ-UHFFFAOYSA-N -1 1 353.382 2.196 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(C)COC1 ZINC000509407812 561798210 /nfs/dbraw/zinc/79/82/10/561798210.db2.gz MKKSTEZTDRZSFC-UHFFFAOYSA-N -1 1 368.238 2.095 20 0 FEADMM COC(=O)[C@H](CN=c1nc([C@H](C)OC)[n-]s1)Cc1cccc(F)c1 ZINC000509681175 561810330 /nfs/dbraw/zinc/81/03/30/561810330.db2.gz NMXHDZFSXCMDSY-JQWIXIFHSA-N -1 1 353.419 2.250 20 0 FEADMM O=S(=O)([N-]CCN1CCc2sccc2C1)c1cccc(F)c1F ZINC000509792213 561814159 /nfs/dbraw/zinc/81/41/59/561814159.db2.gz SQPXEUZGVIXWSQ-UHFFFAOYSA-N -1 1 358.435 2.363 20 0 FEADMM CC(C)NC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000332386698 554436818 /nfs/dbraw/zinc/43/68/18/554436818.db2.gz ZUWFBXRKZNFYDO-ZDUSSCGKSA-N -1 1 373.413 2.325 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)[n-]1 ZINC000510003277 561821549 /nfs/dbraw/zinc/82/15/49/561821549.db2.gz TXNPOJWRCVEEJH-AWEZNQCLSA-N -1 1 358.398 2.101 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)n1 ZINC000510003277 561821550 /nfs/dbraw/zinc/82/15/50/561821550.db2.gz TXNPOJWRCVEEJH-AWEZNQCLSA-N -1 1 358.398 2.101 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3sccc3OC)[nH]c21 ZINC000510233427 561829107 /nfs/dbraw/zinc/82/91/07/561829107.db2.gz KWGLHXVJDFYFSR-UHFFFAOYSA-N -1 1 367.408 2.220 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000510506227 561837143 /nfs/dbraw/zinc/83/71/43/561837143.db2.gz NZUSGKARZHUTDJ-UHFFFAOYSA-N -1 1 355.309 2.233 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(F)c(OC)cc32)o1 ZINC000510604941 561840268 /nfs/dbraw/zinc/84/02/68/561840268.db2.gz GKZMNHHFJRCKAP-LBPRGKRZSA-N -1 1 369.370 2.180 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2cnc3nc(C)ccc3c2[O-])[C@]12CCCO2 ZINC000332899226 554539586 /nfs/dbraw/zinc/53/95/86/554539586.db2.gz MFGUELWGLKPDCT-SPYBWZPUSA-N -1 1 357.410 2.100 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c3nc(C)ccc3c2=O)[C@]12CCCO2 ZINC000332899226 554539590 /nfs/dbraw/zinc/53/95/90/554539590.db2.gz MFGUELWGLKPDCT-SPYBWZPUSA-N -1 1 357.410 2.100 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000333057352 554565919 /nfs/dbraw/zinc/56/59/19/554565919.db2.gz HTNRUUZCLMIRJF-ZDUSSCGKSA-N -1 1 361.427 2.357 20 0 FEADMM C[C@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@@]2(CCCOC2)O1 ZINC000333513800 554619991 /nfs/dbraw/zinc/61/99/91/554619991.db2.gz JLWJKILAKKTABB-MGPUTAFESA-N -1 1 372.444 3.002 20 0 FEADMM O=C1CN(C2CC2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000348645949 554693030 /nfs/dbraw/zinc/69/30/30/554693030.db2.gz NNSROQPABSKTRJ-UHFFFAOYSA-N -1 1 371.418 2.418 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000511031973 561854324 /nfs/dbraw/zinc/85/43/24/561854324.db2.gz PZSRPXQSYLCKLO-CVEARBPZSA-N -1 1 353.422 2.360 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3cccc(Cl)c3)no2)co1 ZINC000349651588 554735632 /nfs/dbraw/zinc/73/56/32/554735632.db2.gz MHIQAKHDKHXOGI-UHFFFAOYSA-N -1 1 353.787 2.482 20 0 FEADMM CCOc1cc(-c2noc(CCCC(N)=O)n2)cc(Br)c1[O-] ZINC000350563819 554797838 /nfs/dbraw/zinc/79/78/38/554797838.db2.gz BYWORYBHKRPQKU-UHFFFAOYSA-N -1 1 370.203 2.411 20 0 FEADMM COc1cc(-c2noc(-c3ncn(C)n3)n2)cc(Br)c1[O-] ZINC000350565877 554798115 /nfs/dbraw/zinc/79/81/15/554798115.db2.gz JBXKWLSQLCIWGA-UHFFFAOYSA-N -1 1 352.148 2.009 20 0 FEADMM Cc1c([C@H]2[C@@H](c3nc(-c4ccc([O-])cc4F)no3)CC(=O)N2C)cnn1C ZINC000350612838 554802679 /nfs/dbraw/zinc/80/26/79/554802679.db2.gz QHTYBJKUPFPHSC-BLLLJJGKSA-N -1 1 371.372 2.310 20 0 FEADMM COc1cc(-c2noc([C@@H]3COCCO3)n2)cc(Br)c1[O-] ZINC000350780387 554812960 /nfs/dbraw/zinc/81/29/60/554812960.db2.gz NKJYHKOYJRJYNG-JTQLQIEISA-N -1 1 357.160 2.301 20 0 FEADMM CS(=O)(=O)Nc1cncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350830688 554816830 /nfs/dbraw/zinc/81/68/30/554816830.db2.gz BZSZSZKGQWAHAX-UHFFFAOYSA-N -1 1 350.331 2.015 20 0 FEADMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2sc(C)nc2C)n1 ZINC000511352262 561866376 /nfs/dbraw/zinc/86/63/76/561866376.db2.gz VBFMGWHBBASTHL-UHFFFAOYSA-N -1 1 363.411 2.234 20 0 FEADMM CN(CC(F)(F)F)C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000361909984 554938320 /nfs/dbraw/zinc/93/83/20/554938320.db2.gz FLCYWSISLBNUGL-UHFFFAOYSA-N -1 1 358.360 2.308 20 0 FEADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(O)c3)ccc2O1 ZINC000362419520 554971437 /nfs/dbraw/zinc/97/14/37/554971437.db2.gz SCRXYBULGULYKF-MRXNPFEDSA-N -1 1 363.391 2.060 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000362468453 554974054 /nfs/dbraw/zinc/97/40/54/554974054.db2.gz JVPOHEIUPMEARR-UHFFFAOYSA-N -1 1 352.350 2.109 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)c3cccc(C(=O)[O-])c3)n[nH]2)cc1 ZINC000362468453 554974057 /nfs/dbraw/zinc/97/40/57/554974057.db2.gz JVPOHEIUPMEARR-UHFFFAOYSA-N -1 1 352.350 2.109 20 0 FEADMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512009870 561888846 /nfs/dbraw/zinc/88/88/46/561888846.db2.gz OKWQGJXWZKAUSC-QLJPJBMISA-N -1 1 358.373 2.319 20 0 FEADMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512009865 561888851 /nfs/dbraw/zinc/88/88/51/561888851.db2.gz OKWQGJXWZKAUSC-HWPZZCPQSA-N -1 1 358.373 2.319 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@@H]2CCN(c3ccccc3OC(F)F)C2=O)C1 ZINC000363789417 555186838 /nfs/dbraw/zinc/18/68/38/555186838.db2.gz NSAQEGDYYBTJIE-WCQYABFASA-N -1 1 354.353 2.190 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@H](C)CC ZINC000512350930 561901726 /nfs/dbraw/zinc/90/17/26/561901726.db2.gz AVQWSSAFIMGPPD-OSDKZWGASA-N -1 1 373.515 2.279 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000512437487 561904898 /nfs/dbraw/zinc/90/48/98/561904898.db2.gz SZWUNKJROWSGOE-HYVNUMGLSA-N -1 1 369.483 2.068 20 0 FEADMM C[C@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000364647591 555362526 /nfs/dbraw/zinc/36/25/26/555362526.db2.gz SGQRJGIVYZCUDR-MFKMUULPSA-N -1 1 369.347 2.312 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)c1 ZINC000364965013 555451817 /nfs/dbraw/zinc/45/18/17/555451817.db2.gz RYSRTXPHYKYBIV-UHFFFAOYSA-N -1 1 372.406 2.070 20 0 FEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365060170 555475782 /nfs/dbraw/zinc/47/57/82/555475782.db2.gz DUVQTFDZCJQQDH-BFUOFWGJSA-N -1 1 354.410 2.317 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)o1 ZINC000365215404 555512628 /nfs/dbraw/zinc/51/26/28/555512628.db2.gz DLMBSZYHCGLAJR-ZDUSSCGKSA-N -1 1 370.377 2.443 20 0 FEADMM CC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1nccs1 ZINC000365399936 555565130 /nfs/dbraw/zinc/56/51/30/555565130.db2.gz WFMMJXFPHVXFKG-AWEZNQCLSA-N -1 1 369.450 2.407 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)o1 ZINC000365615166 555622775 /nfs/dbraw/zinc/62/27/75/555622775.db2.gz PHHKFPBDKPWPEB-UHFFFAOYSA-N -1 1 371.418 2.180 20 0 FEADMM CO[C@]1(C)CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000366221063 555785355 /nfs/dbraw/zinc/78/53/55/555785355.db2.gz DOMQMXUOUOSPAZ-LJQANCHMSA-N -1 1 356.426 2.123 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCOc2ccc(C)cc2)c1 ZINC000513790761 561949929 /nfs/dbraw/zinc/94/99/29/561949929.db2.gz CYXSOXIABWHTMV-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)co1)Oc1cccc(F)c1 ZINC000513851673 561952469 /nfs/dbraw/zinc/95/24/69/561952469.db2.gz UYLIZBGDXBHFSW-ZDUSSCGKSA-N -1 1 371.386 2.341 20 0 FEADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2[O-])[C@@H](C(F)F)C1 ZINC000366462363 555851150 /nfs/dbraw/zinc/85/11/50/555851150.db2.gz OBAMVMXLVVMKIS-SNVBAGLBSA-N -1 1 357.357 2.114 20 0 FEADMM CCOC(=O)C1CCC(N(CC)C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000514040732 561958572 /nfs/dbraw/zinc/95/85/72/561958572.db2.gz DLIGETCYJMZDDH-UHFFFAOYSA-N -1 1 374.441 2.258 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H](C)C4)C3)cnc2n1 ZINC000366657766 555901283 /nfs/dbraw/zinc/90/12/83/555901283.db2.gz WKIJGZKZZGVDHK-PJSUUKDQSA-N -1 1 371.437 2.442 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C1)c2=O ZINC000366657766 555901286 /nfs/dbraw/zinc/90/12/86/555901286.db2.gz WKIJGZKZZGVDHK-PJSUUKDQSA-N -1 1 371.437 2.442 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1ccc(Cl)cn1 ZINC000367587705 556090620 /nfs/dbraw/zinc/09/06/20/556090620.db2.gz JLKPKWOUSQEWRC-UHFFFAOYSA-N -1 1 369.812 2.048 20 0 FEADMM CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000367606053 556095502 /nfs/dbraw/zinc/09/55/02/556095502.db2.gz DGCXXXMHPANUNB-GOSISDBHSA-N -1 1 364.401 2.172 20 0 FEADMM COCC(=O)N1CCc2c1cccc2NC(=O)c1c(F)ccc([O-])c1F ZINC000367658380 556106977 /nfs/dbraw/zinc/10/69/77/556106977.db2.gz NQYIVGQWMRMJMR-UHFFFAOYSA-N -1 1 362.332 2.458 20 0 FEADMM CCOC(=O)C1(COC)CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000367660357 556108001 /nfs/dbraw/zinc/10/80/01/556108001.db2.gz ZLEMNRBWMBLIIL-UHFFFAOYSA-N -1 1 357.353 2.102 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)SCC(=O)N3)c1 ZINC000368110409 556221463 /nfs/dbraw/zinc/22/14/63/556221463.db2.gz DKDQKKQRJFFOOP-UHFFFAOYSA-N -1 1 358.375 2.475 20 0 FEADMM O=C(N=c1[n-]nc(Cc2cccc(F)c2)s1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000368122606 556224440 /nfs/dbraw/zinc/22/44/40/556224440.db2.gz BNUBOKQCGUVECO-GFCCVEGCSA-N -1 1 372.429 2.670 20 0 FEADMM CCOC(=O)c1sc(NC(=O)CN[C@H](C(=O)[O-])[C@@H](C)CC)cc1C ZINC000515062963 561994929 /nfs/dbraw/zinc/99/49/29/561994929.db2.gz OHNARSPCQBVKBG-ZANVPECISA-N -1 1 356.444 2.261 20 0 FEADMM O=C(CC1(O)CCCCC1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368629992 556368911 /nfs/dbraw/zinc/36/89/11/556368911.db2.gz BDJVMOSLFRLYOE-AWEZNQCLSA-N -1 1 367.812 2.283 20 0 FEADMM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000515490836 562012656 /nfs/dbraw/zinc/01/26/56/562012656.db2.gz UKDHNASAXPALDC-UHFFFAOYSA-N -1 1 350.419 2.432 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@H]3COc4ccccc4O3)cnc2n1 ZINC000515546331 562014984 /nfs/dbraw/zinc/01/49/84/562014984.db2.gz PRSHOOQPAJZMEM-LBPRGKRZSA-N -1 1 351.362 2.214 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@H]1COc3ccccc3O1)c2=O ZINC000515546331 562014985 /nfs/dbraw/zinc/01/49/85/562014985.db2.gz PRSHOOQPAJZMEM-LBPRGKRZSA-N -1 1 351.362 2.214 20 0 FEADMM O=C(Cc1ccc(F)cc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000368880236 556437422 /nfs/dbraw/zinc/43/74/22/556437422.db2.gz PHCFVDXTAJQKOP-JTQLQIEISA-N -1 1 368.210 2.050 20 0 FEADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000515632093 562017584 /nfs/dbraw/zinc/01/75/84/562017584.db2.gz JIZMUQLKNLSCEX-UHFFFAOYSA-N -1 1 361.423 2.243 20 0 FEADMM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000369070134 556496539 /nfs/dbraw/zinc/49/65/39/556496539.db2.gz GRZQJIQVJAXOEV-UHFFFAOYSA-N -1 1 365.802 2.335 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(F)cc3)no2)no1 ZINC000369136292 556513676 /nfs/dbraw/zinc/51/36/76/556513676.db2.gz CFALYRQSDKUGQN-SNVBAGLBSA-N -1 1 366.374 2.353 20 0 FEADMM O=S(=O)([N-]c1cnn(C2CCN(Cc3ccncc3)CC2)c1)C(F)F ZINC000369566956 556633231 /nfs/dbraw/zinc/63/32/31/556633231.db2.gz DRJDGMOTUDGPOU-UHFFFAOYSA-N -1 1 371.413 2.080 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2Br)cc1 ZINC000516291105 562038926 /nfs/dbraw/zinc/03/89/26/562038926.db2.gz ISHXXQBSMLPUCM-UHFFFAOYSA-N -1 1 360.233 2.382 20 0 FEADMM CC(C)n1cnc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC000369869046 556717243 /nfs/dbraw/zinc/71/72/43/556717243.db2.gz WYXYUQOHEDXHPI-CYBMUJFWSA-N -1 1 363.784 2.289 20 0 FEADMM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000370705028 556945237 /nfs/dbraw/zinc/94/52/37/556945237.db2.gz DCZOARFXJQYJRJ-ZYHUDNBSSA-N -1 1 361.316 2.204 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1c2cccc(F)c2O[C@H]1C ZINC000370732821 556952454 /nfs/dbraw/zinc/95/24/54/556952454.db2.gz RKHGZQXPEMLBPT-BBATYDOGSA-N -1 1 370.384 2.372 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@H]2CCn3cc(C)nc3C2)c1Br ZINC000625963818 556962825 /nfs/dbraw/zinc/96/28/25/556962825.db2.gz LIYWPFDGQIFOPW-VIFPVBQESA-N -1 1 352.236 2.441 20 0 FEADMM CCCCc1ccc(C(=O)CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370853455 556991926 /nfs/dbraw/zinc/99/19/26/556991926.db2.gz SVWSGEAHMMLIES-KRWDZBQOSA-N -1 1 371.441 2.105 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)co1 ZINC000371052352 557058627 /nfs/dbraw/zinc/05/86/27/557058627.db2.gz CDVPVFFFTAMILT-GJZGRUSLSA-N -1 1 366.414 2.393 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)o1 ZINC000371389025 557170865 /nfs/dbraw/zinc/17/08/65/557170865.db2.gz PSKCWWTVDMFHLM-XJKSGUPXSA-N -1 1 365.407 2.122 20 0 FEADMM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000517967846 562101717 /nfs/dbraw/zinc/10/17/17/562101717.db2.gz HHEBBPARBSQRRD-ZCFIWIBFSA-N -1 1 360.770 2.112 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3cccs3)C[C@H]2C)o1 ZINC000371740452 557280084 /nfs/dbraw/zinc/28/00/84/557280084.db2.gz DOLULOLLSCIMLZ-MNOVXSKESA-N -1 1 354.453 2.267 20 0 FEADMM COC(=O)[C@@H]1C[C@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)c2ccccc21 ZINC000371775290 557290166 /nfs/dbraw/zinc/29/01/66/557290166.db2.gz XHPFKAZXTCQPKD-OLZOCXBDSA-N -1 1 373.434 2.344 20 0 FEADMM CC(C)C[C@H](C)S(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000372142173 557390993 /nfs/dbraw/zinc/39/09/93/557390993.db2.gz BMHTYODEZGBEBL-JSGCOSHPSA-N -1 1 353.444 2.124 20 0 FEADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccsc3)ccc2O1 ZINC000372143448 557391510 /nfs/dbraw/zinc/39/15/10/557391510.db2.gz KRCVKMOZRYZLDF-AWEZNQCLSA-N -1 1 353.421 2.416 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCOC[C@@H](C)C2)c([O-])c1 ZINC000372218163 557412817 /nfs/dbraw/zinc/41/28/17/557412817.db2.gz SBSFERSSOMVJDN-NSHDSACASA-N -1 1 359.382 2.049 20 0 FEADMM O=C(c1cnccc1Oc1ccccc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000519001939 562123038 /nfs/dbraw/zinc/12/30/38/562123038.db2.gz MPEJCUHVNPXBGE-ZDUSSCGKSA-N -1 1 350.382 2.407 20 0 FEADMM Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)no1 ZINC000372534846 557495974 /nfs/dbraw/zinc/49/59/74/557495974.db2.gz YKNBZZBCHVJAKL-AWEZNQCLSA-N -1 1 362.405 2.349 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1Cc2ccccc2N(C)C1 ZINC000372555682 557503598 /nfs/dbraw/zinc/50/35/98/557503598.db2.gz TUZVWFYZMUQYKW-GFCCVEGCSA-N -1 1 358.467 2.251 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)c3ccnc(N4CCOCC4)n3)[nH][n-]2)s1 ZINC000628031323 557574104 /nfs/dbraw/zinc/57/41/04/557574104.db2.gz WHUBDRHZPDFECN-UHFFFAOYSA-N -1 1 370.438 2.326 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCCOCC1 ZINC000372954150 557596035 /nfs/dbraw/zinc/59/60/35/557596035.db2.gz ZFFKCCRQVTVIPD-UHFFFAOYSA-N -1 1 360.435 2.350 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)c1 ZINC000373247689 557658200 /nfs/dbraw/zinc/65/82/00/557658200.db2.gz SCFABRQZWXQIJF-UHFFFAOYSA-N -1 1 374.418 2.154 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000520103433 562149215 /nfs/dbraw/zinc/14/92/15/562149215.db2.gz LBRSRNWWWCSQNH-AWEZNQCLSA-N -1 1 363.421 2.297 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000374091685 557822062 /nfs/dbraw/zinc/82/20/62/557822062.db2.gz FRQGQIZJNNWBGS-CALCHBBNSA-N -1 1 372.446 2.491 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2nnc(-c3ccccn3)o2)c1 ZINC000374480996 557889662 /nfs/dbraw/zinc/88/96/62/557889662.db2.gz YHJNUKVZUPTCQL-UHFFFAOYSA-N -1 1 368.349 2.195 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@@H]2CCOC2)no1 ZINC000521137700 562170249 /nfs/dbraw/zinc/17/02/49/562170249.db2.gz DWFJGGKSOZHWBF-CYBMUJFWSA-N -1 1 353.382 2.225 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000375009039 557963343 /nfs/dbraw/zinc/96/33/43/557963343.db2.gz SXDLLKCATHXOFC-AWEZNQCLSA-N -1 1 358.398 2.371 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375038586 557968198 /nfs/dbraw/zinc/96/81/98/557968198.db2.gz LULWTNUAPYMTGA-KRWDZBQOSA-N -1 1 363.414 2.085 20 0 FEADMM O=C(CC1(CSc2ccccc2)CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000375232658 557995783 /nfs/dbraw/zinc/99/57/83/557995783.db2.gz CXJMQZAQRFPGOH-CQSZACIVSA-N -1 1 359.455 2.062 20 0 FEADMM O=C(C=Cc1cncs1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000375585266 558053040 /nfs/dbraw/zinc/05/30/40/558053040.db2.gz QSGCWFQEOOBDCV-OHVSUOQFSA-N -1 1 364.793 2.368 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)cc1F ZINC000521557558 562178620 /nfs/dbraw/zinc/17/86/20/562178620.db2.gz MRXWFOKNYHESMY-SSDOTTSWSA-N -1 1 362.295 2.019 20 0 FEADMM C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000376174894 558136928 /nfs/dbraw/zinc/13/69/28/558136928.db2.gz UWQNQDVZKFIMEC-GMTAPVOTSA-N -1 1 350.410 2.280 20 0 FEADMM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000376475425 558178148 /nfs/dbraw/zinc/17/81/48/558178148.db2.gz UEMDACQHFKSXKC-KGLIPLIRSA-N -1 1 366.389 2.041 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1C ZINC000521758651 562183222 /nfs/dbraw/zinc/18/32/22/562183222.db2.gz FKPIGSLXZXVVSQ-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM Cc1cc(C=C2CCN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CC2)no1 ZINC000376620588 558198875 /nfs/dbraw/zinc/19/88/75/558198875.db2.gz GMZXJMZMQJDHCE-PGMHBOJBSA-N -1 1 352.398 2.350 20 0 FEADMM COc1ccccc1C1CC(NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1 ZINC000376632253 558200518 /nfs/dbraw/zinc/20/05/18/558200518.db2.gz KNMUIASQVXLJPU-KQWNVCNZSA-N -1 1 351.410 2.418 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CCO[C@@]4(CCc5ccccc54)C3)ccnc1-2 ZINC000376639995 558201546 /nfs/dbraw/zinc/20/15/46/558201546.db2.gz GWTKAOJUSYFIHG-UZXYXVAJSA-N -1 1 363.421 2.048 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1C(N)=O ZINC000376728926 558214077 /nfs/dbraw/zinc/21/40/77/558214077.db2.gz NBUUHWUNNQLQKY-UHFFFAOYSA-N -1 1 370.434 2.295 20 0 FEADMM O=C(c1ccccc1[O-])N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000377114177 558269314 /nfs/dbraw/zinc/26/93/14/558269314.db2.gz BEEWRCSTEBGHQN-KBPBESRZSA-N -1 1 352.390 2.041 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000377309449 558312195 /nfs/dbraw/zinc/31/21/95/558312195.db2.gz RFNMFGGEATTXFH-AWEZNQCLSA-N -1 1 363.391 2.310 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1COc2cccc(Cl)c21 ZINC000377390859 558331493 /nfs/dbraw/zinc/33/14/93/558331493.db2.gz ZRJCXOOOCZJDRP-SECBINFHSA-N -1 1 362.238 2.447 20 0 FEADMM CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377528487 558358007 /nfs/dbraw/zinc/35/80/07/558358007.db2.gz RGMWDSFCZCEZRC-OAHLLOKOSA-N -1 1 359.430 2.116 20 0 FEADMM O=C(c1ccccc1CCc1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000377595619 558373052 /nfs/dbraw/zinc/37/30/52/558373052.db2.gz PZCLPUWRLGJKFT-SFHVURJKSA-N -1 1 363.421 2.199 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000377890025 558442522 /nfs/dbraw/zinc/44/25/22/558442522.db2.gz RNADGWDMWRYZJY-UHFFFAOYSA-N -1 1 371.846 2.451 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1 ZINC000377890611 558442768 /nfs/dbraw/zinc/44/27/68/558442768.db2.gz WXVGVTAEYGINEZ-UHFFFAOYSA-N -1 1 364.402 2.323 20 0 FEADMM CC[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000377980163 558456972 /nfs/dbraw/zinc/45/69/72/558456972.db2.gz XTIGJZCNSPDXMG-LAUBAEHRSA-N -1 1 370.449 2.427 20 0 FEADMM Cc1cn(-c2ncccc2F)[n-]c1=NCc1cc(=O)n2c(C)csc2n1 ZINC000378205276 558502343 /nfs/dbraw/zinc/50/23/43/558502343.db2.gz XHTXSYLNPDFOTO-UHFFFAOYSA-N -1 1 370.413 2.705 20 0 FEADMM CCc1cc(=O)[nH]c(-c2ccc(N3CCC[C@@H](c4nc[nH]n4)C3)nc2)n1 ZINC000378216873 558504559 /nfs/dbraw/zinc/50/45/59/558504559.db2.gz HXMAJZBZKYMGPF-CYBMUJFWSA-N -1 1 351.414 2.309 20 0 FEADMM O=S(=O)([N-]CCF)c1cc(Br)ccc1Br ZINC000389446106 558609269 /nfs/dbraw/zinc/60/92/69/558609269.db2.gz NIOVLDPHALBUGO-UHFFFAOYSA-N -1 1 361.030 2.459 20 0 FEADMM C[C@H](CCCO)CNC(=O)c1cc(I)ccc1[O-] ZINC000394945002 558622404 /nfs/dbraw/zinc/62/24/04/558622404.db2.gz FBFXKPGRTRVISP-SECBINFHSA-N -1 1 363.195 2.135 20 0 FEADMM CC1(C)C[C@@H](NC(=O)c2ccc(I)c([O-])c2)CO1 ZINC000396499912 558623340 /nfs/dbraw/zinc/62/33/40/558623340.db2.gz ITZVXHCGNGNXAF-SECBINFHSA-N -1 1 361.179 2.294 20 0 FEADMM C[C@@H]1CCSCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000408345447 558669195 /nfs/dbraw/zinc/66/91/95/558669195.db2.gz BANSENWJHLFFAB-LLVKDONJSA-N -1 1 360.501 2.324 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000410283880 558749678 /nfs/dbraw/zinc/74/96/78/558749678.db2.gz HCPKCUSFWNNVOB-QMMMGPOBSA-N -1 1 354.332 2.839 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410398396 558755106 /nfs/dbraw/zinc/75/51/06/558755106.db2.gz JSHHUUUTQBQTKH-UHFFFAOYSA-N -1 1 368.842 2.429 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc2ncccc2c1 ZINC000525523744 562249797 /nfs/dbraw/zinc/24/97/97/562249797.db2.gz RXMWZJDBUXXZQQ-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM O=C(NC[C@@H](CO)Cc1cccnc1)c1ccc(Br)c([O-])c1 ZINC000412279710 559024655 /nfs/dbraw/zinc/02/46/55/559024655.db2.gz BKRNKCRJWKWFLJ-LBPRGKRZSA-N -1 1 365.227 2.131 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3C[C@@H](O)C3)ccc2C)cc1 ZINC000412402817 559033476 /nfs/dbraw/zinc/03/34/76/559033476.db2.gz KRWPQIDARGAXQR-CALCHBBNSA-N -1 1 374.462 2.357 20 0 FEADMM CC(C)(CCNC(=O)c1ccc(Br)c([O-])c1)S(C)(=O)=O ZINC000412638854 559047947 /nfs/dbraw/zinc/04/79/47/559047947.db2.gz MYTHXBXDBPWTEE-UHFFFAOYSA-N -1 1 364.261 2.098 20 0 FEADMM CCNC(=O)c1ccc(=NCC2(c3cccc(Cl)c3)CCOCC2)[n-]n1 ZINC000413066020 559074484 /nfs/dbraw/zinc/07/44/84/559074484.db2.gz DWHSBCXQJSICGZ-UHFFFAOYSA-N -1 1 374.872 3.040 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000526947181 562270441 /nfs/dbraw/zinc/27/04/41/562270441.db2.gz DIMDVHFHDVESAH-GHMZBOCLSA-N -1 1 361.847 2.140 20 0 FEADMM CCCn1ncc([N-]S(=O)(=O)C2(CC(=O)OCC)CC2)c1C1CC1 ZINC000414383341 559160217 /nfs/dbraw/zinc/16/02/17/559160217.db2.gz NFBDECQPJYLGSY-UHFFFAOYSA-N -1 1 355.460 2.398 20 0 FEADMM COC(=O)[C@H](C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000414391408 559161035 /nfs/dbraw/zinc/16/10/35/559161035.db2.gz CNVOJBBJAAVAPI-SECBINFHSA-N -1 1 367.379 2.364 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccccc2OCC2CC2)C1=O ZINC000414655520 559177702 /nfs/dbraw/zinc/17/77/02/559177702.db2.gz JQSQGYNQHVQQMQ-AEFFLSMTSA-N -1 1 360.454 2.275 20 0 FEADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NCc2cc(F)cc(F)c2)C1=O ZINC000414656647 559177705 /nfs/dbraw/zinc/17/77/05/559177705.db2.gz KVXFGUQAGLHHJQ-DLBZAZTESA-N -1 1 360.360 2.481 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1=O ZINC000414662354 559178120 /nfs/dbraw/zinc/17/81/20/559178120.db2.gz RLCFHDHQZMQHPP-TZMCWYRMSA-N -1 1 374.359 2.227 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)cc(Cl)c1[O-] ZINC000527196261 562279668 /nfs/dbraw/zinc/27/96/68/562279668.db2.gz ZKHZQRICSNWWHJ-LBPRGKRZSA-N -1 1 352.818 2.281 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000416163095 559295477 /nfs/dbraw/zinc/29/54/77/559295477.db2.gz SHJBWNSHDPAQDN-CYBMUJFWSA-N -1 1 363.389 2.375 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000416173594 559296318 /nfs/dbraw/zinc/29/63/18/559296318.db2.gz DBJWHGUUNRCFRD-LLVKDONJSA-N -1 1 370.365 2.405 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000416206393 559298329 /nfs/dbraw/zinc/29/83/29/559298329.db2.gz ATKHLENPAIXISW-UHFFFAOYSA-N -1 1 365.336 2.194 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC(=O)N1 ZINC000416501752 559318105 /nfs/dbraw/zinc/31/81/05/559318105.db2.gz MXHSVQZJFGKZRN-LBPRGKRZSA-N -1 1 370.780 2.306 20 0 FEADMM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2sccc2Cl)cc1 ZINC000416549746 559321165 /nfs/dbraw/zinc/32/11/65/559321165.db2.gz DIQQGXOWGZHPQU-LLVKDONJSA-N -1 1 361.872 2.465 20 0 FEADMM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)Cc1cc(Cl)ccc1OC ZINC000416580502 559323125 /nfs/dbraw/zinc/32/31/25/559323125.db2.gz INNBMVDWOKEBSS-CYBMUJFWSA-N -1 1 361.847 2.110 20 0 FEADMM O=C([O-])[C@H]1CC(=O)N(CCNCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000417617005 559369507 /nfs/dbraw/zinc/36/95/07/559369507.db2.gz BKQPENJSCMBLMK-JTQLQIEISA-N -1 1 364.751 2.382 20 0 FEADMM COc1ccc(-c2n[n-]c(=NC[C@@H]3CN(CC(C)C)CCO3)s2)cc1 ZINC000420582532 559492823 /nfs/dbraw/zinc/49/28/23/559492823.db2.gz JKVIJQNYFQMFRQ-MRXNPFEDSA-N -1 1 362.499 2.982 20 0 FEADMM NC(=O)CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000420704787 559499254 /nfs/dbraw/zinc/49/92/54/559499254.db2.gz MNODYRJSPNJZOO-UHFFFAOYSA-N -1 1 355.218 2.066 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000420713156 559499808 /nfs/dbraw/zinc/49/98/08/559499808.db2.gz WCGIEOHUWWOSCY-UHFFFAOYSA-N -1 1 365.333 2.332 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)cc1 ZINC000421144775 559526518 /nfs/dbraw/zinc/52/65/18/559526518.db2.gz WDMVAAJPTLQICI-QGZVFWFLSA-N -1 1 362.451 2.046 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000421250532 559533570 /nfs/dbraw/zinc/53/35/70/559533570.db2.gz NWQJRYBFLWUUON-NSHDSACASA-N -1 1 363.361 2.428 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)C1CC(OC(C)(C)C)C1 ZINC000421693665 559549664 /nfs/dbraw/zinc/54/96/64/559549664.db2.gz NGKBZCYMKFYYJU-UHFFFAOYSA-N -1 1 360.458 2.399 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c1C ZINC000424061339 559653036 /nfs/dbraw/zinc/65/30/36/559653036.db2.gz IPXZKGRIHAAENI-UHFFFAOYSA-N -1 1 361.370 2.191 20 0 FEADMM CCC(CC)(CNC(=O)NC1CCN(Cc2ccccn2)CC1)C(=O)[O-] ZINC000424395059 559662921 /nfs/dbraw/zinc/66/29/21/559662921.db2.gz ODVWXFCVZIBKOT-UHFFFAOYSA-N -1 1 362.474 2.236 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCOCC2CCOCC2)c(F)c1 ZINC000425174634 559689531 /nfs/dbraw/zinc/68/95/31/559689531.db2.gz CSGSYHJYDYJTKW-UHFFFAOYSA-N -1 1 363.426 2.385 20 0 FEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(C)s2)s1 ZINC000425201746 559690993 /nfs/dbraw/zinc/69/09/93/559690993.db2.gz JSBRYNIXJGJRBA-ZETCQYMHSA-N -1 1 361.470 2.043 20 0 FEADMM CC(=O)NCC1CCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425212829 559691665 /nfs/dbraw/zinc/69/16/65/559691665.db2.gz FYQUMIXMDAPQCH-HNNXBMFYSA-N -1 1 353.470 3.002 20 0 FEADMM CC(=O)NC[C@@H]1CCCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000425217917 559691802 /nfs/dbraw/zinc/69/18/02/559691802.db2.gz WNHZRAROIRIATK-WBVHZDCISA-N -1 1 353.470 3.002 20 0 FEADMM Cc1cc(C)c2ncc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c(O)c2c1 ZINC000425292706 559694927 /nfs/dbraw/zinc/69/49/27/559694927.db2.gz ARQZLQOOCKZEON-GFCCVEGCSA-N -1 1 368.393 2.253 20 0 FEADMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425301002 559695525 /nfs/dbraw/zinc/69/55/25/559695525.db2.gz LUVWTSWEGOYKBH-AWEZNQCLSA-N -1 1 370.409 2.072 20 0 FEADMM CCOCCOc1ccccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425303030 559695617 /nfs/dbraw/zinc/69/56/17/559695617.db2.gz OCPIRCBHIRXBEA-ZDUSSCGKSA-N -1 1 361.398 2.210 20 0 FEADMM O=C(Cc1cc(Cl)cc2c1OCC2)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425309319 559696145 /nfs/dbraw/zinc/69/61/45/559696145.db2.gz VWIXYDXHFFQPSM-NSHDSACASA-N -1 1 363.801 2.312 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)C1(C)C ZINC000425326915 559696773 /nfs/dbraw/zinc/69/67/73/559696773.db2.gz UVDLOFIRQKKLQU-NEPJUHHUSA-N -1 1 365.430 2.095 20 0 FEADMM CC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000426619389 559739074 /nfs/dbraw/zinc/73/90/74/559739074.db2.gz QIDNNRYIHIBYCA-AWEZNQCLSA-N -1 1 357.410 2.135 20 0 FEADMM CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ncccc1[O-] ZINC000427129840 559748606 /nfs/dbraw/zinc/74/86/06/559748606.db2.gz BHASUOVJEISARX-OLZOCXBDSA-N -1 1 351.472 2.243 20 0 FEADMM CCOC(=O)[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC)c(F)c1 ZINC000427823448 559763512 /nfs/dbraw/zinc/76/35/12/559763512.db2.gz UBOIMSCQCLEBKS-OAHLLOKOSA-N -1 1 362.357 2.278 20 0 FEADMM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000427967702 559766576 /nfs/dbraw/zinc/76/65/76/559766576.db2.gz CVOHQYHNRBQZKK-GFCCVEGCSA-N -1 1 367.471 2.454 20 0 FEADMM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000428749329 559782473 /nfs/dbraw/zinc/78/24/73/559782473.db2.gz HVEBCWFZBUEBFK-GFCCVEGCSA-N -1 1 355.232 2.238 20 0 FEADMM COC(=O)c1cnccc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000430052105 559811918 /nfs/dbraw/zinc/81/19/18/559811918.db2.gz OFPDMEOXPMIPTE-UHFFFAOYSA-N -1 1 358.778 2.025 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccnc1SCc1ccc(F)cc1 ZINC000430312455 559817663 /nfs/dbraw/zinc/81/76/63/559817663.db2.gz PJZXOXSNDWWNRX-UHFFFAOYSA-N -1 1 370.413 2.445 20 0 FEADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OC ZINC000431312165 559837408 /nfs/dbraw/zinc/83/74/08/559837408.db2.gz IDMBFFWMXOGVEM-NOZJJQNGSA-N -1 1 351.827 2.486 20 0 FEADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432173496 559853366 /nfs/dbraw/zinc/85/33/66/559853366.db2.gz APADGINRVLXMMJ-QHCPKHFHSA-N -1 1 362.432 2.066 20 0 FEADMM Cc1nc2ccc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2s1 ZINC000432175161 559853423 /nfs/dbraw/zinc/85/34/23/559853423.db2.gz FNBGGLMNNDKBSE-UHFFFAOYSA-N -1 1 363.420 2.210 20 0 FEADMM COCCC1(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCC1 ZINC000432238753 559854668 /nfs/dbraw/zinc/85/46/68/559854668.db2.gz URZDSGGKDIGXPV-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCc3ccco3)c2)n1 ZINC000432639897 559862358 /nfs/dbraw/zinc/86/23/58/559862358.db2.gz BSGPHIAWLNGPOV-UHFFFAOYSA-N -1 1 369.381 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cc(OCC)ncn3)c2)n1 ZINC000432940054 559868386 /nfs/dbraw/zinc/86/83/86/559868386.db2.gz UADSOIXUANHDIZ-UHFFFAOYSA-N -1 1 368.397 2.449 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)c2)n1 ZINC000434422082 559900108 /nfs/dbraw/zinc/90/01/08/559900108.db2.gz OKVVIBAHHJGOEL-QDMKHBRRSA-N -1 1 369.425 2.246 20 0 FEADMM COC(=O)c1sc2[n-]c(-c3cc(C(=O)OC)ccn3)nc(=O)c2c1C ZINC000434937722 559912976 /nfs/dbraw/zinc/91/29/76/559912976.db2.gz LHZAQHPTMDWPPT-UHFFFAOYSA-N -1 1 359.363 2.341 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1F ZINC000435144152 559917051 /nfs/dbraw/zinc/91/70/51/559917051.db2.gz APFORJABKCIUNB-GFCCVEGCSA-N -1 1 364.398 2.239 20 0 FEADMM O=c1ccccn1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435440374 559923257 /nfs/dbraw/zinc/92/32/57/559923257.db2.gz WBKOGWPIBJCEIS-UHFFFAOYSA-N -1 1 365.213 2.273 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)o1 ZINC000435582056 559925528 /nfs/dbraw/zinc/92/55/28/559925528.db2.gz AEVNSCKLDXMQCO-AULYBMBSSA-N -1 1 353.371 2.430 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000435587991 559925586 /nfs/dbraw/zinc/92/55/86/559925586.db2.gz HNLIDDQKZJWVMG-YEORSEQZSA-N -1 1 353.371 2.430 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C(F)F)c1csc(-c2ccc(Cl)cc2)n1 ZINC000435636475 559926995 /nfs/dbraw/zinc/92/69/95/559926995.db2.gz NAMHYPUSDOJCKZ-VIFPVBQESA-N -1 1 368.814 2.368 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(F)c1 ZINC000436019195 559933722 /nfs/dbraw/zinc/93/37/22/559933722.db2.gz MWHMUJWKRTUKCU-UHFFFAOYSA-N -1 1 372.381 2.182 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000436172698 559936779 /nfs/dbraw/zinc/93/67/79/559936779.db2.gz AJMRISCUIHLOOE-UHFFFAOYSA-N -1 1 364.398 2.405 20 0 FEADMM CCOc1ccncc1S(=O)(=O)[N-]c1cc(OC)c(OC)cc1F ZINC000436474398 559942308 /nfs/dbraw/zinc/94/23/08/559942308.db2.gz CUEVIVWXDNKKFG-UHFFFAOYSA-N -1 1 356.375 2.437 20 0 FEADMM COC(=O)c1cn(-c2cccc(NC(=O)c3ccc([O-])cc3F)c2)nn1 ZINC000436518616 559944103 /nfs/dbraw/zinc/94/41/03/559944103.db2.gz LFBILNYTWUELMA-UHFFFAOYSA-N -1 1 356.313 2.151 20 0 FEADMM Cc1[nH]nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)ccc12 ZINC000436526920 559944185 /nfs/dbraw/zinc/94/41/85/559944185.db2.gz JUIMINAWYFGUBK-UHFFFAOYSA-N -1 1 361.379 2.384 20 0 FEADMM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436547997 559945114 /nfs/dbraw/zinc/94/51/14/559945114.db2.gz UCYXQOVCPURIEM-BXKDBHETSA-N -1 1 372.874 2.484 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c([O-])c1 ZINC000436589589 559946049 /nfs/dbraw/zinc/94/60/49/559946049.db2.gz WPJZIIFRRVTVGW-UHFFFAOYSA-N -1 1 353.371 2.337 20 0 FEADMM CCc1ccnc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000436617245 559946606 /nfs/dbraw/zinc/94/66/06/559946606.db2.gz MZVXLSWWQMTZTO-UHFFFAOYSA-N -1 1 361.423 2.043 20 0 FEADMM O=C(C(=O)N1CCC(CO)(Cc2ccccc2)CC1)c1ccc([O-])cc1 ZINC000436625766 559946848 /nfs/dbraw/zinc/94/68/48/559946848.db2.gz NAPZUOGGISPRRM-UHFFFAOYSA-N -1 1 353.418 2.419 20 0 FEADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1(S(C)(=O)=O)CC1 ZINC000436648403 559947864 /nfs/dbraw/zinc/94/78/64/559947864.db2.gz QGKNEYVCJYXPKN-MRVPVSSYSA-N -1 1 351.346 2.107 20 0 FEADMM O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000436676485 559948582 /nfs/dbraw/zinc/94/85/82/559948582.db2.gz PXUXRLKXUNYMIX-HNNXBMFYSA-N -1 1 356.397 2.495 20 0 FEADMM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436707192 559949556 /nfs/dbraw/zinc/94/95/56/559949556.db2.gz WZBSOTAIYPKPTL-HNNXBMFYSA-N -1 1 358.781 2.150 20 0 FEADMM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1[O-] ZINC000436758875 559951177 /nfs/dbraw/zinc/95/11/77/559951177.db2.gz YRVYNGMOBSTKPJ-UHFFFAOYSA-N -1 1 365.817 2.030 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1O ZINC000436775313 559951703 /nfs/dbraw/zinc/95/17/03/559951703.db2.gz ZMLOYHHPSHCHLT-UHFFFAOYSA-N -1 1 364.423 2.354 20 0 FEADMM CCOCc1nc([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)no1 ZINC000436816292 559952968 /nfs/dbraw/zinc/95/29/68/559952968.db2.gz NVAPHBQJSNFGAB-MRVPVSSYSA-N -1 1 355.778 2.465 20 0 FEADMM O=C(NC[C@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1)c1ccccc1 ZINC000436934834 559956818 /nfs/dbraw/zinc/95/68/18/559956818.db2.gz IENRIHDKRZYRIB-OAHLLOKOSA-N -1 1 366.417 2.244 20 0 FEADMM CCOC(=O)[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)Cc2ccccc21 ZINC000436968448 559957886 /nfs/dbraw/zinc/95/78/86/559957886.db2.gz VHARWTWDWOLYRX-KRWDZBQOSA-N -1 1 353.374 2.264 20 0 FEADMM CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)c1cc(F)ccc1[O-] ZINC000436982524 559958337 /nfs/dbraw/zinc/95/83/37/559958337.db2.gz HIDIMTAEERWJFN-KBPBESRZSA-N -1 1 362.380 2.006 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1)c1cccs1 ZINC000437221404 559962101 /nfs/dbraw/zinc/96/21/01/559962101.db2.gz YMRBFTIHAQBWIF-VNHYZAJKSA-N -1 1 372.512 2.309 20 0 FEADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2[nH]nc(CC)c2C)cc1 ZINC000438237801 559976098 /nfs/dbraw/zinc/97/60/98/559976098.db2.gz RYJHTDZTADBEII-UHFFFAOYSA-N -1 1 353.444 2.497 20 0 FEADMM C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438772728 559983531 /nfs/dbraw/zinc/98/35/31/559983531.db2.gz FXISMUOUOVLSEU-HSZRJFAPSA-N -1 1 371.411 2.203 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cn1C ZINC000439563539 559996911 /nfs/dbraw/zinc/99/69/11/559996911.db2.gz BJRGNYLPJSICDF-UHFFFAOYSA-N -1 1 352.412 2.238 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442324735 560049166 /nfs/dbraw/zinc/04/91/66/560049166.db2.gz OEZWCCMCLUVEKP-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000442768796 560056941 /nfs/dbraw/zinc/05/69/41/560056941.db2.gz MFNODWYKJVJDJX-IMJJTQAJSA-N -1 1 369.483 2.036 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)c(OC)c1 ZINC000442825442 560058705 /nfs/dbraw/zinc/05/87/05/560058705.db2.gz MPKJRLABDINUDI-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM COc1cc(C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cc(Cl)c1[O-] ZINC000442958968 560063831 /nfs/dbraw/zinc/06/38/31/560063831.db2.gz DGBHCXSNNUTHDA-LBPRGKRZSA-N -1 1 360.797 2.359 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000443006854 560065834 /nfs/dbraw/zinc/06/58/34/560065834.db2.gz KGCKNCUUEKQJJP-ZDUSSCGKSA-N -1 1 369.830 2.206 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1OC)c1ccsc1 ZINC000443048999 560067783 /nfs/dbraw/zinc/06/77/83/560067783.db2.gz NZJGHMHPOOWYOO-AWEZNQCLSA-N -1 1 355.437 2.258 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000443139483 560072458 /nfs/dbraw/zinc/07/24/58/560072458.db2.gz WXJIHCQZCLYQJS-GFCCVEGCSA-N -1 1 351.428 2.243 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@H](COCC3CC3)C2)cc(Cl)c1[O-] ZINC000443206287 560074505 /nfs/dbraw/zinc/07/45/05/560074505.db2.gz FVKOLHWRHPTHFS-CYBMUJFWSA-N -1 1 355.818 2.322 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)o1 ZINC000443749065 560091764 /nfs/dbraw/zinc/09/17/64/560091764.db2.gz PVTIKZABQCLXRE-UHFFFAOYSA-N -1 1 359.787 2.077 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3N(C)C2)sc1C ZINC000444278986 560108048 /nfs/dbraw/zinc/10/80/48/560108048.db2.gz UZBFLNRQEKGTRX-ZDUSSCGKSA-N -1 1 351.497 2.347 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc4c(c3)COC4)CC2)n1 ZINC000444760159 560119978 /nfs/dbraw/zinc/11/99/78/560119978.db2.gz RUIFWOUKWFDAOM-UHFFFAOYSA-N -1 1 370.409 2.031 20 0 FEADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1c[nH]c2ncccc12 ZINC000447281513 560159507 /nfs/dbraw/zinc/15/95/07/560159507.db2.gz RSFBZUHLJOZTJF-UHFFFAOYSA-N -1 1 358.358 2.288 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(F)(c2ccccc2)CC1 ZINC000447610328 560165262 /nfs/dbraw/zinc/16/52/62/560165262.db2.gz HAQVBNLOLIXWNR-UHFFFAOYSA-N -1 1 357.385 2.004 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3coc(CC)n3)c2)n1 ZINC000447684319 560167006 /nfs/dbraw/zinc/16/70/06/560167006.db2.gz AJDNKVIABHTIFJ-UHFFFAOYSA-N -1 1 369.381 2.129 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CO[C@@H](C)CC)c2)n1 ZINC000447683072 560167014 /nfs/dbraw/zinc/16/70/14/560167014.db2.gz MTICZJJKGWTXTJ-LBPRGKRZSA-N -1 1 360.414 2.080 20 0 FEADMM COc1cc(CN2CC[C@@H](N=c3[n-]c(C4CCC4)no3)C2)cc(OC)c1 ZINC000450379414 560260669 /nfs/dbraw/zinc/26/06/69/560260669.db2.gz NVWKIKUGNBHKEK-OAHLLOKOSA-N -1 1 358.442 2.463 20 0 FEADMM COCCc1nc(=NCc2nc3cccc(Br)c3[nH]2)s[n-]1 ZINC000450950374 560279739 /nfs/dbraw/zinc/27/97/39/560279739.db2.gz VLKFAYONQNYNMC-UHFFFAOYSA-N -1 1 368.260 2.400 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)N1CCCCC1 ZINC000451084983 560286080 /nfs/dbraw/zinc/28/60/80/560286080.db2.gz RVRLFYAKQKVSAG-NSHDSACASA-N -1 1 354.403 2.251 20 0 FEADMM Cc1c(NS(=O)(=O)c2cccc(Cl)c2[O-])cnn1[C@H]1CCOC1 ZINC000451097857 560286990 /nfs/dbraw/zinc/28/69/90/560286990.db2.gz UGOSHOKDLIWLSG-JTQLQIEISA-N -1 1 357.819 2.313 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2CCC2)c(F)c1 ZINC000451252979 560296144 /nfs/dbraw/zinc/29/61/44/560296144.db2.gz LQIQCAVJYICIGK-UHFFFAOYSA-N -1 1 364.464 2.150 20 0 FEADMM CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C ZINC000451838343 560331687 /nfs/dbraw/zinc/33/16/87/560331687.db2.gz BTRQYSJUIJFJDE-PWSUYJOCSA-N -1 1 371.425 2.006 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000451955732 560340551 /nfs/dbraw/zinc/34/05/51/560340551.db2.gz BYUWXEZZDPZEIB-RYUDHWBXSA-N -1 1 371.436 2.326 20 0 FEADMM O=S(=O)([N-][C@H]1CCC[C@H]1CO)c1cc(Br)c(F)cc1F ZINC000452027986 560346419 /nfs/dbraw/zinc/34/64/19/560346419.db2.gz GHYDNDYJYYWDJD-CPCISQLKSA-N -1 1 370.215 2.167 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cc(F)cc(OC)c2)o1 ZINC000452095788 560350909 /nfs/dbraw/zinc/35/09/09/560350909.db2.gz ZKQUBXSRCHRBPN-JTQLQIEISA-N -1 1 371.386 2.123 20 0 FEADMM CO[C@](C)(CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000452782130 560373852 /nfs/dbraw/zinc/37/38/52/560373852.db2.gz UMMURLNQHYZMFA-HXUWFJFHSA-N -1 1 368.437 2.272 20 0 FEADMM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1n1cccn1 ZINC000456625779 560526252 /nfs/dbraw/zinc/52/62/52/560526252.db2.gz CENDGXWGEVAJAT-OAGGEKHMSA-N -1 1 357.410 2.085 20 0 FEADMM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000456847464 560534434 /nfs/dbraw/zinc/53/44/34/560534434.db2.gz OFWHTMFQOKWPCB-HNNXBMFYSA-N -1 1 357.385 2.328 20 0 FEADMM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000456896929 560536300 /nfs/dbraw/zinc/53/63/00/560536300.db2.gz GOKBWSRLDPJHFA-LLVKDONJSA-N -1 1 370.247 2.031 20 0 FEADMM CC[C@@H]1OCC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000458278440 560612493 /nfs/dbraw/zinc/61/24/93/560612493.db2.gz BPUHKWHKCJKXGD-PWSUYJOCSA-N -1 1 361.179 2.294 20 0 FEADMM C[C@@H](CC(F)(F)F)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000457685231 560581849 /nfs/dbraw/zinc/58/18/49/560581849.db2.gz DQFKSVADMXAWAP-QMMMGPOBSA-N -1 1 366.361 2.360 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(C)C)o1 ZINC000457979533 560597821 /nfs/dbraw/zinc/59/78/21/560597821.db2.gz GEHVHCAHKDIQNL-CZUORRHYSA-N -1 1 362.451 2.357 20 0 FEADMM CCOC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000458088681 560602544 /nfs/dbraw/zinc/60/25/44/560602544.db2.gz ZBFVFKHAMBHMTA-ZDUSSCGKSA-N -1 1 372.487 2.388 20 0 FEADMM CCOC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000458088680 560602573 /nfs/dbraw/zinc/60/25/73/560602573.db2.gz ZBFVFKHAMBHMTA-CYBMUJFWSA-N -1 1 372.487 2.388 20 0 FEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459402232 560684598 /nfs/dbraw/zinc/68/45/98/560684598.db2.gz FPECJXCQSSGHNX-IAGOWNOFSA-N -1 1 371.437 2.392 20 0 FEADMM Cc1cnc(C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000460279425 560740570 /nfs/dbraw/zinc/74/05/70/560740570.db2.gz GACHLDQJVNXORQ-LBPRGKRZSA-N -1 1 370.327 2.284 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000460821189 560752569 /nfs/dbraw/zinc/75/25/69/560752569.db2.gz UDRUMUCUVKZSNU-HSZRJFAPSA-N -1 1 366.464 2.208 20 0 FEADMM CCOCc1nc([C@@H](C)NC(=O)c2cnc3nc(C)ccc3c2[O-])no1 ZINC000461233722 560764621 /nfs/dbraw/zinc/76/46/21/560764621.db2.gz AKZGPRVTNNUTAT-SNVBAGLBSA-N -1 1 357.370 2.054 20 0 FEADMM CCOCc1nc([C@@H](C)NC(=O)c2c[n-]c3nc(C)ccc3c2=O)no1 ZINC000461233722 560764623 /nfs/dbraw/zinc/76/46/23/560764623.db2.gz AKZGPRVTNNUTAT-SNVBAGLBSA-N -1 1 357.370 2.054 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000461443997 560771827 /nfs/dbraw/zinc/77/18/27/560771827.db2.gz PLUQNFGGYCMPNS-GFCCVEGCSA-N -1 1 364.448 2.128 20 0 FEADMM CC[C@H](C)n1ncc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])c1C ZINC000461457129 560772239 /nfs/dbraw/zinc/77/22/39/560772239.db2.gz OKYKUOOUBVYVBU-JTQLQIEISA-N -1 1 366.443 2.029 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cccc(F)c2)c1 ZINC000461463816 560772807 /nfs/dbraw/zinc/77/28/07/560772807.db2.gz OAMHJUKTCCLOPN-UHFFFAOYSA-N -1 1 366.414 2.356 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000461464156 560772827 /nfs/dbraw/zinc/77/28/27/560772827.db2.gz JMMPZTJAAIZEJC-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000461467052 560773103 /nfs/dbraw/zinc/77/31/03/560773103.db2.gz XETNSEBCTVGPEN-ZIAGYGMSSA-N -1 1 352.456 2.455 20 0 FEADMM CC(C)(NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nn[n-]n1 ZINC000461631723 560777971 /nfs/dbraw/zinc/77/79/71/560777971.db2.gz BHSIVKHVCLTGCE-UHFFFAOYSA-N -1 1 374.408 2.113 20 0 FEADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000462098455 560796856 /nfs/dbraw/zinc/79/68/56/560796856.db2.gz CALKVTUMCNOBQU-QFIPXVFZSA-N -1 1 352.393 2.072 20 0 FEADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000462103183 560797396 /nfs/dbraw/zinc/79/73/96/560797396.db2.gz QMDQGPNIDIGLFM-HSZRJFAPSA-N -1 1 367.448 2.386 20 0 FEADMM COc1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1[N-]S(C)(=O)=O ZINC000464852821 560853616 /nfs/dbraw/zinc/85/36/16/560853616.db2.gz CIKMHJCYMUCRQN-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000466268037 560883024 /nfs/dbraw/zinc/88/30/24/560883024.db2.gz UIGTUYKYCLFJRU-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(OC)sc3c2)o1 ZINC000468214162 560924746 /nfs/dbraw/zinc/92/47/46/560924746.db2.gz FIOAUEPHCABCQD-UHFFFAOYSA-N -1 1 367.408 2.058 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1COc2ccc(F)cc21 ZINC000468730857 560937343 /nfs/dbraw/zinc/93/73/43/560937343.db2.gz XTYTZRCNGQVRTO-OAHLLOKOSA-N -1 1 370.384 2.373 20 0 FEADMM COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(CCC(C)C)[nH]n1 ZINC000468814003 560939567 /nfs/dbraw/zinc/93/95/67/560939567.db2.gz DOJABDRLLLLTIL-UHFFFAOYSA-N -1 1 358.445 2.042 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)c1C ZINC000469185079 560949320 /nfs/dbraw/zinc/94/93/20/560949320.db2.gz ZGQUPTIQOOVECW-UHFFFAOYSA-N -1 1 357.407 2.246 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(-c2nc[nH]n2)c1 ZINC000470242812 560977181 /nfs/dbraw/zinc/97/71/81/560977181.db2.gz UBFHBBQEWXFZSH-UHFFFAOYSA-N -1 1 354.388 2.482 20 0 FEADMM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000470770869 560989416 /nfs/dbraw/zinc/98/94/16/560989416.db2.gz BSCZCRGBFHUOJS-UHFFFAOYSA-N -1 1 354.453 2.068 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000471128560 560998899 /nfs/dbraw/zinc/99/88/99/560998899.db2.gz ZSUTUNNTFPSRSS-UHFFFAOYSA-N -1 1 367.448 2.484 20 0 FEADMM CCO[C@H](CC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C(C)C ZINC000471395629 561003756 /nfs/dbraw/zinc/00/37/56/561003756.db2.gz CPKCZCDJJKTKRH-OAHLLOKOSA-N -1 1 358.460 2.456 20 0 FEADMM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000471498705 561005828 /nfs/dbraw/zinc/00/58/28/561005828.db2.gz DXEINPRLCABZBK-SSDOTTSWSA-N -1 1 371.659 2.224 20 0 FEADMM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1cc2c(cc1Cl)OCCO2 ZINC000474407731 561073325 /nfs/dbraw/zinc/07/33/25/561073325.db2.gz KJYNZSPHGKMYDZ-UHFFFAOYSA-N -1 1 366.786 2.183 20 0 FEADMM CO[C@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccc(F)cc1 ZINC000474983784 561086850 /nfs/dbraw/zinc/08/68/50/561086850.db2.gz GIZATFNGMXRXJX-GFCCVEGCSA-N -1 1 351.403 2.469 20 0 FEADMM CC(C)(NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nn[n-]n1 ZINC000475020038 561087841 /nfs/dbraw/zinc/08/78/41/561087841.db2.gz WZVCGYPHLKXVDL-UHFFFAOYSA-N -1 1 355.398 2.255 20 0 FEADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cnc[nH]1 ZINC000475717560 561103146 /nfs/dbraw/zinc/10/31/46/561103146.db2.gz LTCTVWWWRQWWAH-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM O=C(Cn1c2ccccc2nc1C1CCCCC1)NC1(c2nn[n-]n2)CC1 ZINC000477052507 561135246 /nfs/dbraw/zinc/13/52/46/561135246.db2.gz VVADQSKXHSAADF-UHFFFAOYSA-N -1 1 365.441 2.403 20 0 FEADMM COc1cc(OC)cc(OCC[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000477126207 561137290 /nfs/dbraw/zinc/13/72/90/561137290.db2.gz HQDVFMMEBWHUBP-UHFFFAOYSA-N -1 1 373.377 2.339 20 0 FEADMM COc1ccc(CN2CC[C@@H]2CN=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000528138939 562315485 /nfs/dbraw/zinc/31/54/85/562315485.db2.gz KVLLHCSUOIVFJZ-MRXNPFEDSA-N -1 1 358.442 2.081 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCCO1)c1sc2ccccc2c1Cl ZINC000528484037 562331668 /nfs/dbraw/zinc/33/16/68/562331668.db2.gz HHRIJBVGFKVDOS-MNOVXSKESA-N -1 1 361.872 2.373 20 0 FEADMM O=C1Nc2ccccc2C[C@H]1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000528542242 562335102 /nfs/dbraw/zinc/33/51/02/562335102.db2.gz MLVQYIYQTWVGHO-TZMCWYRMSA-N -1 1 358.410 2.295 20 0 FEADMM Cc1ccnc(Nc2cccc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2)n1 ZINC000528598309 562337740 /nfs/dbraw/zinc/33/77/40/562337740.db2.gz JYZMVLSYZKOKBD-UHFFFAOYSA-N -1 1 364.413 2.241 20 0 FEADMM O=C(c1ccc(-c2csnn2)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000529250987 562366323 /nfs/dbraw/zinc/36/63/23/562366323.db2.gz QZIAKZARZUGMNG-GFCCVEGCSA-N -1 1 357.395 2.314 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCC3(C)C)o1 ZINC000529645067 562380074 /nfs/dbraw/zinc/38/00/74/562380074.db2.gz UJCRQNWJKKQJDH-UHFFFAOYSA-N -1 1 350.396 2.110 20 0 FEADMM CC[C@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000529798780 562385614 /nfs/dbraw/zinc/38/56/14/562385614.db2.gz JUJBXHQXXYLHQI-CQSZACIVSA-N -1 1 350.440 2.329 20 0 FEADMM CCn1nc(C)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000530128512 562399050 /nfs/dbraw/zinc/39/90/50/562399050.db2.gz ZWJSXWMHANSUFZ-UHFFFAOYSA-N -1 1 352.398 2.259 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c(OC)n1 ZINC000530135125 562399168 /nfs/dbraw/zinc/39/91/68/562399168.db2.gz WQOYCWZEFQWJFS-CQSZACIVSA-N -1 1 370.402 2.367 20 0 FEADMM O=C([O-])c1ccc(F)c2c1CN(C[C@H](O)COc1ccc(F)cc1)CC2 ZINC000530169176 562400968 /nfs/dbraw/zinc/40/09/68/562400968.db2.gz RCDMZOHSEOSZAX-ZDUSSCGKSA-N -1 1 363.360 2.461 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000530178096 562401514 /nfs/dbraw/zinc/40/15/14/562401514.db2.gz XYSXSQBXIHTSDV-SCAQPMJSSA-N -1 1 368.499 2.022 20 0 FEADMM COc1ccc(NC(=O)NCCc2ccco2)cc1[N-]S(C)(=O)=O ZINC000530863587 562426774 /nfs/dbraw/zinc/42/67/74/562426774.db2.gz WNGUGVRZTUAKIE-UHFFFAOYSA-N -1 1 353.400 2.024 20 0 FEADMM CN(CC(=O)Nc1ccc(F)cc1[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000531755819 562455620 /nfs/dbraw/zinc/45/56/20/562455620.db2.gz BTCGYOIONOKXBH-UHFFFAOYSA-N -1 1 372.805 2.444 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)CCC1CCOCC1 ZINC000531821478 562457731 /nfs/dbraw/zinc/45/77/31/562457731.db2.gz KYFAQXLKHMEZHT-UHFFFAOYSA-N -1 1 370.453 2.370 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012678 562464128 /nfs/dbraw/zinc/46/41/28/562464128.db2.gz NOZUICWIIONFOW-UHFFFAOYSA-N -1 1 352.387 2.470 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1cccc(O)c1 ZINC000532389093 562476182 /nfs/dbraw/zinc/47/61/82/562476182.db2.gz MIBYMBLONLQBSW-UHFFFAOYSA-N -1 1 364.405 2.459 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000532620694 562483373 /nfs/dbraw/zinc/48/33/73/562483373.db2.gz JOIMRILGTAKWFV-UHFFFAOYSA-N -1 1 366.414 2.455 20 0 FEADMM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000533181856 562500676 /nfs/dbraw/zinc/50/06/76/562500676.db2.gz FRXBUNAPWKOQPY-CHWSQXEVSA-N -1 1 352.508 2.311 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000533229160 562502318 /nfs/dbraw/zinc/50/23/18/562502318.db2.gz OLRFJUQBOCGONO-UHFFFAOYSA-N -1 1 360.391 2.411 20 0 FEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cnc(C)s2)CC1 ZINC000533633857 562514965 /nfs/dbraw/zinc/51/49/65/562514965.db2.gz JMLKILYKDUOLIQ-UHFFFAOYSA-N -1 1 366.512 2.394 20 0 FEADMM Cc1cc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)ccc1C(=O)[O-] ZINC000534141050 562526328 /nfs/dbraw/zinc/52/63/28/562526328.db2.gz FHRVOKVZPOQAEE-NSHDSACASA-N -1 1 366.377 2.327 20 0 FEADMM CCC1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCOCC1 ZINC000534186840 562527043 /nfs/dbraw/zinc/52/70/43/562527043.db2.gz IMRNPJCXTKIBQF-UHFFFAOYSA-N -1 1 358.460 2.045 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3ccccc3)o2)co1 ZINC000534389733 562533172 /nfs/dbraw/zinc/53/31/72/562533172.db2.gz JEGNSFHGZFQSOW-UHFFFAOYSA-N -1 1 360.391 2.378 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000534899833 562544847 /nfs/dbraw/zinc/54/48/47/562544847.db2.gz FVSNBOLWEAARSJ-ZETCQYMHSA-N -1 1 362.181 2.469 20 0 FEADMM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1c[nH]nc1C ZINC000534905812 562545005 /nfs/dbraw/zinc/54/50/05/562545005.db2.gz FYTMURDZTGUGBO-UHFFFAOYSA-N -1 1 363.317 2.324 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)co1 ZINC000535152590 562552166 /nfs/dbraw/zinc/55/21/66/562552166.db2.gz ZIWPWKPGKMRRBP-SECBINFHSA-N -1 1 370.377 2.225 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)C(=O)[O-] ZINC000535154642 562552213 /nfs/dbraw/zinc/55/22/13/562552213.db2.gz FOFMYSQDPADFSY-BBRMVZONSA-N -1 1 350.484 2.465 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535618438 562562682 /nfs/dbraw/zinc/56/26/82/562562682.db2.gz ZXZKRRHHSJFVII-JTQLQIEISA-N -1 1 359.753 2.095 20 0 FEADMM CCn1c(Cc2ccccc2)nnc1Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000536516582 562577528 /nfs/dbraw/zinc/57/75/28/562577528.db2.gz FPXPQYITEDYTDA-UHFFFAOYSA-N -1 1 367.438 2.422 20 0 FEADMM COc1ccc(-c2nnc(Sc3nc4c(cnn4C)c(=O)[n-]3)n2C)cc1 ZINC000536528236 562577894 /nfs/dbraw/zinc/57/78/94/562577894.db2.gz KDLQCQAZGALVSQ-UHFFFAOYSA-N -1 1 369.410 2.024 20 0 FEADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1NS(C)(=O)=O ZINC000536901568 562582281 /nfs/dbraw/zinc/58/22/81/562582281.db2.gz PDEXQBSDUQXFRQ-UHFFFAOYSA-N -1 1 364.445 2.368 20 0 FEADMM CC(C)CCOc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1 ZINC000536990386 562583790 /nfs/dbraw/zinc/58/37/90/562583790.db2.gz YMMAOQXWGWZVKX-UHFFFAOYSA-N -1 1 367.427 2.344 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)cn1 ZINC000541005142 562600147 /nfs/dbraw/zinc/60/01/47/562600147.db2.gz OTEKQWRGFASUBJ-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)nn1-c1ccc(F)cc1 ZINC000549731532 562638855 /nfs/dbraw/zinc/63/88/55/562638855.db2.gz SXPNYYFXMJRTET-GFCCVEGCSA-N -1 1 371.372 2.428 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)C1(CO)CCOCC1)c1cc2ccccc2o1 ZINC000549931974 562641244 /nfs/dbraw/zinc/64/12/44/562641244.db2.gz KARDQWZWQVLSPX-QGZVFWFLSA-N -1 1 365.451 2.279 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1OC(F)F ZINC000550122292 562642953 /nfs/dbraw/zinc/64/29/53/562642953.db2.gz JMLNSQKTYRJQQH-JTQLQIEISA-N -1 1 369.324 2.405 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1ccc(C)c(C)c1 ZINC000556369157 674399199 /nfs/dbraw/zinc/39/91/99/674399199.db2.gz NUXCRJVGIJWNTH-GFCCVEGCSA-N -1 1 353.362 2.389 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)n[n-]1 ZINC000603153033 568065236 /nfs/dbraw/zinc/06/52/36/568065236.db2.gz FVSLOOUVYRURJK-RKDXNWHRSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)[n-]1 ZINC000603153033 568065237 /nfs/dbraw/zinc/06/52/37/568065237.db2.gz FVSLOOUVYRURJK-RKDXNWHRSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)n1 ZINC000603153033 568065238 /nfs/dbraw/zinc/06/52/38/568065238.db2.gz FVSLOOUVYRURJK-RKDXNWHRSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@]2(C)CCc3ccccc3C2)n[n-]1 ZINC000603156172 568068669 /nfs/dbraw/zinc/06/86/69/568068669.db2.gz QWTPVKGNQCHQRV-CWTRNNRKSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@]2(C)CCc3ccccc3C2)[n-]1 ZINC000603156172 568068670 /nfs/dbraw/zinc/06/86/70/568068670.db2.gz QWTPVKGNQCHQRV-CWTRNNRKSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@]2(C)CCc3ccccc3C2)n1 ZINC000603156172 568068671 /nfs/dbraw/zinc/06/86/71/568068671.db2.gz QWTPVKGNQCHQRV-CWTRNNRKSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2CCc3ccccc3CC2)n[n-]1 ZINC000603157684 568068969 /nfs/dbraw/zinc/06/89/69/568068969.db2.gz XKEIDYFRVLBMBN-GFCCVEGCSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2CCc3ccccc3CC2)[n-]1 ZINC000603157684 568068970 /nfs/dbraw/zinc/06/89/70/568068970.db2.gz XKEIDYFRVLBMBN-GFCCVEGCSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2CCc3ccccc3CC2)n1 ZINC000603157684 568068971 /nfs/dbraw/zinc/06/89/71/568068971.db2.gz XKEIDYFRVLBMBN-GFCCVEGCSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CSCc2cccc(C)c2)n[n-]1 ZINC000603160028 568069223 /nfs/dbraw/zinc/06/92/23/568069223.db2.gz COMKABIVEWMPSY-GFCCVEGCSA-N -1 1 362.455 2.400 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CSCc2cccc(C)c2)[n-]1 ZINC000603160028 568069224 /nfs/dbraw/zinc/06/92/24/568069224.db2.gz COMKABIVEWMPSY-GFCCVEGCSA-N -1 1 362.455 2.400 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CSCc2cccc(C)c2)n1 ZINC000603160028 568069225 /nfs/dbraw/zinc/06/92/25/568069225.db2.gz COMKABIVEWMPSY-GFCCVEGCSA-N -1 1 362.455 2.400 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CSCc2cccc(C)c2)n[n-]1 ZINC000603160030 568069256 /nfs/dbraw/zinc/06/92/56/568069256.db2.gz COMKABIVEWMPSY-LBPRGKRZSA-N -1 1 362.455 2.400 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CSCc2cccc(C)c2)[n-]1 ZINC000603160030 568069257 /nfs/dbraw/zinc/06/92/57/568069257.db2.gz COMKABIVEWMPSY-LBPRGKRZSA-N -1 1 362.455 2.400 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CSCc2cccc(C)c2)n1 ZINC000603160030 568069258 /nfs/dbraw/zinc/06/92/58/568069258.db2.gz COMKABIVEWMPSY-LBPRGKRZSA-N -1 1 362.455 2.400 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)n[n-]1 ZINC000603167083 568070423 /nfs/dbraw/zinc/07/04/23/568070423.db2.gz UDANZIHQQZUBEG-RYUDHWBXSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)[n-]1 ZINC000603167083 568070424 /nfs/dbraw/zinc/07/04/24/568070424.db2.gz UDANZIHQQZUBEG-RYUDHWBXSA-N -1 1 362.455 2.481 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)n1 ZINC000603167083 568070425 /nfs/dbraw/zinc/07/04/25/568070425.db2.gz UDANZIHQQZUBEG-RYUDHWBXSA-N -1 1 362.455 2.481 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000603546259 568117879 /nfs/dbraw/zinc/11/78/79/568117879.db2.gz JTFVXSXYNDSOFB-BMIGLBTASA-N -1 1 359.336 2.151 20 0 FEADMM C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC000563123759 568249827 /nfs/dbraw/zinc/24/98/27/568249827.db2.gz GZYQLDIETHOKJH-GXFFZTMASA-N -1 1 355.232 2.430 20 0 FEADMM C[C@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC000563123759 568249828 /nfs/dbraw/zinc/24/98/28/568249828.db2.gz GZYQLDIETHOKJH-GXFFZTMASA-N -1 1 355.232 2.430 20 0 FEADMM COc1cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)ccn1 ZINC000647744285 568335412 /nfs/dbraw/zinc/33/54/12/568335412.db2.gz BWMRNTKAVCKNLQ-UHFFFAOYSA-N -1 1 351.366 2.137 20 0 FEADMM Cc1cccc2c1CCCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737409692 598845630 /nfs/dbraw/zinc/84/56/30/598845630.db2.gz QMSWKYJXQXDSQV-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM Cc1cccc2c1CCCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737409692 598845632 /nfs/dbraw/zinc/84/56/32/598845632.db2.gz QMSWKYJXQXDSQV-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cn[nH]c1 ZINC000738112770 598847790 /nfs/dbraw/zinc/84/77/90/598847790.db2.gz RXOFHYWHTGOJHG-UHFFFAOYSA-N -1 1 351.395 2.248 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1C1CCC1 ZINC000738355625 598874389 /nfs/dbraw/zinc/87/43/89/598874389.db2.gz RKNOODOVBDIOPG-GFCCVEGCSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1C1CCC1 ZINC000738355625 598874391 /nfs/dbraw/zinc/87/43/91/598874391.db2.gz RKNOODOVBDIOPG-GFCCVEGCSA-N -1 1 367.862 2.473 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000737301907 598930671 /nfs/dbraw/zinc/93/06/71/598930671.db2.gz VPACIVLCGLEGPG-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM Cc1cc(O)ccc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737278490 598932388 /nfs/dbraw/zinc/93/23/88/598932388.db2.gz JJAKMFMNAZGNLV-UHFFFAOYSA-N -1 1 368.397 2.169 20 0 FEADMM CC(C)c1noc(CCCNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000735953069 598936273 /nfs/dbraw/zinc/93/62/73/598936273.db2.gz OGFYZXWTXSXPNP-UHFFFAOYSA-N -1 1 365.401 2.361 20 0 FEADMM CC(C)c1noc(CCCNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000735953069 598936275 /nfs/dbraw/zinc/93/62/75/598936275.db2.gz OGFYZXWTXSXPNP-UHFFFAOYSA-N -1 1 365.401 2.361 20 0 FEADMM COc1ccc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2c1 ZINC000737120743 598977392 /nfs/dbraw/zinc/97/73/92/598977392.db2.gz UCWKJCKUMCBBSI-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM COc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2c1 ZINC000737120743 598977393 /nfs/dbraw/zinc/97/73/93/598977393.db2.gz UCWKJCKUMCBBSI-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM O=C(NCCSCc1ccccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738086120 598984018 /nfs/dbraw/zinc/98/40/18/598984018.db2.gz TVGVDQBZNKQCIL-UHFFFAOYSA-N -1 1 358.402 2.064 20 0 FEADMM O=C(NCCSCc1ccccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738086120 598984019 /nfs/dbraw/zinc/98/40/19/598984019.db2.gz TVGVDQBZNKQCIL-UHFFFAOYSA-N -1 1 358.402 2.064 20 0 FEADMM CCCCCC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCC ZINC000736447877 599004211 /nfs/dbraw/zinc/00/42/11/599004211.db2.gz VCGUNRMWBOUPIA-GOSISDBHSA-N -1 1 374.445 2.284 20 0 FEADMM CCCCCC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCC ZINC000736447877 599004213 /nfs/dbraw/zinc/00/42/13/599004213.db2.gz VCGUNRMWBOUPIA-GOSISDBHSA-N -1 1 374.445 2.284 20 0 FEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736750195 599008348 /nfs/dbraw/zinc/00/83/48/599008348.db2.gz WDMBANNIKNKJDW-INIZCTEOSA-N -1 1 363.425 2.003 20 0 FEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736750195 599008350 /nfs/dbraw/zinc/00/83/50/599008350.db2.gz WDMBANNIKNKJDW-INIZCTEOSA-N -1 1 363.425 2.003 20 0 FEADMM O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244909 599137669 /nfs/dbraw/zinc/13/76/69/599137669.db2.gz MLVLOZVPGYMJAZ-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244909 599137671 /nfs/dbraw/zinc/13/76/71/599137671.db2.gz MLVLOZVPGYMJAZ-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820698996 599349476 /nfs/dbraw/zinc/34/94/76/599349476.db2.gz XGQJNXWYRUEMEU-WDEREUQCSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735648903 599183203 /nfs/dbraw/zinc/18/32/03/599183203.db2.gz IOHKZAXNGWLZGA-MRXNPFEDSA-N -1 1 366.425 2.023 20 0 FEADMM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735648903 599183207 /nfs/dbraw/zinc/18/32/07/599183207.db2.gz IOHKZAXNGWLZGA-MRXNPFEDSA-N -1 1 366.425 2.023 20 0 FEADMM Cc1cccn2cc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)nc12 ZINC000737436561 599222552 /nfs/dbraw/zinc/22/25/52/599222552.db2.gz UPJXDPXJXVWCMM-UHFFFAOYSA-N -1 1 357.377 2.186 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1 ZINC000819379896 597043205 /nfs/dbraw/zinc/04/32/05/597043205.db2.gz FSNSKJURISBJMH-DZZUKKPASA-N -1 1 357.410 2.066 20 0 FEADMM CCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821441359 607312409 /nfs/dbraw/zinc/31/24/09/607312409.db2.gz KUMVAWVEXBLGFV-UHFFFAOYSA-N -1 1 364.456 2.302 20 0 FEADMM CC[C@@H](C)[C@H](OC)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807706112 674424627 /nfs/dbraw/zinc/42/46/27/674424627.db2.gz HUJZWFCHFXCKEO-MOLYVOAJSA-N -1 1 352.397 2.352 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000822266589 607328164 /nfs/dbraw/zinc/32/81/64/607328164.db2.gz DRLUPSPCYVTBAX-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM O=S(=O)(Oc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738347786 598262771 /nfs/dbraw/zinc/26/27/71/598262771.db2.gz NXJBIIIQVPHBDG-UHFFFAOYSA-N -1 1 371.300 2.048 20 0 FEADMM O=S(=O)(Oc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738347786 598262772 /nfs/dbraw/zinc/26/27/72/598262772.db2.gz NXJBIIIQVPHBDG-UHFFFAOYSA-N -1 1 371.300 2.048 20 0 FEADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802012 674430248 /nfs/dbraw/zinc/43/02/48/674430248.db2.gz LZDLUIZLWNWREX-CDCRFNPESA-N -1 1 362.392 2.296 20 0 FEADMM C[C@H]1CCN(C(=O)CC2(O)CCCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807800831 674430277 /nfs/dbraw/zinc/43/02/77/674430277.db2.gz BBODJPOBMUSGMH-OBJOEFQTSA-N -1 1 364.408 2.376 20 0 FEADMM Brc1cccc([C@@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)c1 ZINC000735368497 598353914 /nfs/dbraw/zinc/35/39/14/598353914.db2.gz MQXSNPRFMAWZEN-WDEREUQCSA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)c1 ZINC000735368497 598353916 /nfs/dbraw/zinc/35/39/16/598353916.db2.gz MQXSNPRFMAWZEN-WDEREUQCSA-N -1 1 358.203 2.387 20 0 FEADMM CCc1nn(Cc2nc3ccccc3s2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707073 598378547 /nfs/dbraw/zinc/37/85/47/598378547.db2.gz PHTVZWYMVZXYMR-UHFFFAOYSA-N -1 1 367.438 2.206 20 0 FEADMM CCc1nn(Cc2ccc(F)cc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707786 598378693 /nfs/dbraw/zinc/37/86/93/598378693.db2.gz TVSRWTBPJKBDTP-UHFFFAOYSA-N -1 1 362.796 2.389 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC000735628407 598503177 /nfs/dbraw/zinc/50/31/77/598503177.db2.gz TUZOZYPCUULVNN-GFCCVEGCSA-N -1 1 374.449 2.106 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC000735628407 598503179 /nfs/dbraw/zinc/50/31/79/598503179.db2.gz TUZOZYPCUULVNN-GFCCVEGCSA-N -1 1 374.449 2.106 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C2CCC2)cc1-c1nn[n-]n1 ZINC000737187423 598605965 /nfs/dbraw/zinc/60/59/65/598605965.db2.gz ROMSNTZVLNUIGZ-LBPRGKRZSA-N -1 1 360.443 2.094 20 0 FEADMM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736841593 598663384 /nfs/dbraw/zinc/66/33/84/598663384.db2.gz FPBUAVKSOQNLHX-UHFFFAOYSA-N -1 1 369.328 2.109 20 0 FEADMM COc1cc(C)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737039871 598687191 /nfs/dbraw/zinc/68/71/91/598687191.db2.gz LNYRQNPLTBKVLH-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736270992 598688424 /nfs/dbraw/zinc/68/84/24/598688424.db2.gz LHSSNOGWBRAXLF-QMTHXVAHSA-N -1 1 353.423 2.205 20 0 FEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)c1ccc[nH]1 ZINC000737980228 598721892 /nfs/dbraw/zinc/72/18/92/598721892.db2.gz APDOCVNGSZULBA-UHFFFAOYSA-N -1 1 354.757 2.046 20 0 FEADMM O=C1OCCN1c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000738319390 598745639 /nfs/dbraw/zinc/74/56/39/598745639.db2.gz OYPAYEQVYFKKOP-UHFFFAOYSA-N -1 1 371.788 2.484 20 0 FEADMM O=C1OCCN1c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000738319390 598745640 /nfs/dbraw/zinc/74/56/40/598745640.db2.gz OYPAYEQVYFKKOP-UHFFFAOYSA-N -1 1 371.788 2.484 20 0 FEADMM CC(C)CC(CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735762091 598767775 /nfs/dbraw/zinc/76/77/75/598767775.db2.gz VAMHCIRHXMJYCX-UHFFFAOYSA-N -1 1 352.464 2.001 20 0 FEADMM CC(C)CC(CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735762091 598767777 /nfs/dbraw/zinc/76/77/77/598767777.db2.gz VAMHCIRHXMJYCX-UHFFFAOYSA-N -1 1 352.464 2.001 20 0 FEADMM O=C(O[C@H]1CCN(c2ccccc2F)C1=O)c1sccc1-c1nn[n-]n1 ZINC000738215936 598780521 /nfs/dbraw/zinc/78/05/21/598780521.db2.gz SXJZUSYZQYUMPH-LBPRGKRZSA-N -1 1 373.369 2.030 20 0 FEADMM CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736780341 599333359 /nfs/dbraw/zinc/33/33/59/599333359.db2.gz USONEVWUHNRJLA-UHFFFAOYSA-N -1 1 355.851 2.473 20 0 FEADMM C[C@H](O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736144638 599389183 /nfs/dbraw/zinc/38/91/83/599389183.db2.gz PYKNLZSQDZVKLM-NSHDSACASA-N -1 1 371.372 2.299 20 0 FEADMM C[C@H](O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736144638 599389185 /nfs/dbraw/zinc/38/91/85/599389185.db2.gz PYKNLZSQDZVKLM-NSHDSACASA-N -1 1 371.372 2.299 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000737611056 599456189 /nfs/dbraw/zinc/45/61/89/599456189.db2.gz BAUOGFAVMDNTSL-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819833016 599648352 /nfs/dbraw/zinc/64/83/52/599648352.db2.gz FGRCHTWWIVZDCY-UHFFFAOYSA-N -1 1 352.350 2.174 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(=O)C1CCCC1 ZINC000822540466 599651664 /nfs/dbraw/zinc/65/16/64/599651664.db2.gz BFKUWZSHQVXWOW-UHFFFAOYSA-N -1 1 369.381 2.475 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(=O)C1CCCC1 ZINC000822540466 599651665 /nfs/dbraw/zinc/65/16/65/599651665.db2.gz BFKUWZSHQVXWOW-UHFFFAOYSA-N -1 1 369.381 2.475 20 0 FEADMM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000323965130 599778488 /nfs/dbraw/zinc/77/84/88/599778488.db2.gz UEUIDCDIIYQHLJ-UFBFGSQYSA-N -1 1 372.208 2.296 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3cccc(C(=O)[O-])c3C)CC2)c1 ZINC000738143657 599818044 /nfs/dbraw/zinc/81/80/44/599818044.db2.gz VGVLUYHQQNJFHO-UHFFFAOYSA-N -1 1 370.409 2.451 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736652584 599884167 /nfs/dbraw/zinc/88/41/67/599884167.db2.gz IOABGHJTFVPURH-LLVKDONJSA-N -1 1 367.361 2.123 20 0 FEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)NCCN1CCc3ccccc3C1)C2 ZINC000740202378 600016454 /nfs/dbraw/zinc/01/64/54/600016454.db2.gz IDSWWUMKMVEDDV-UHFFFAOYSA-N -1 1 365.433 2.468 20 0 FEADMM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1[nH]c(-c2ccccc2)nc1C)C(=O)[O-] ZINC000736875335 600029295 /nfs/dbraw/zinc/02/92/95/600029295.db2.gz WMTOGIRNOZFPGU-ABAIWWIYSA-N -1 1 373.409 2.157 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000740122444 600067184 /nfs/dbraw/zinc/06/71/84/600067184.db2.gz DYUPXNRSBIOQBW-UHFFFAOYSA-N -1 1 374.481 2.278 20 0 FEADMM CCC[C@](C)(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000736965487 600324171 /nfs/dbraw/zinc/32/41/71/600324171.db2.gz ULTYDQSXYRNGSO-SFHVURJKSA-N -1 1 367.877 2.222 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(C(=O)NC[C@H](c1ccco1)N1CCCC1)CC2 ZINC000739525177 600340374 /nfs/dbraw/zinc/34/03/74/600340374.db2.gz JAGBWXGRCJLYTL-HUUCEWRRSA-N -1 1 361.442 2.313 20 0 FEADMM CC[C@@](C)(NCC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000094229164 600562009 /nfs/dbraw/zinc/56/20/09/600562009.db2.gz LTVFKZWDRCPTPJ-MEBBXXQBSA-N -1 1 357.248 2.469 20 0 FEADMM CC[C@@](C)(NCC(=O)Nc1ccnn1Cc1ccccc1Cl)C(=O)[O-] ZINC000736864771 600563895 /nfs/dbraw/zinc/56/38/95/600563895.db2.gz XDWSKIQCEDKQOM-QGZVFWFLSA-N -1 1 364.833 2.366 20 0 FEADMM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000736551823 600580968 /nfs/dbraw/zinc/58/09/68/600580968.db2.gz KUMILCYXHCGKNO-FMKPAKJESA-N -1 1 350.484 2.362 20 0 FEADMM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000736551826 600580984 /nfs/dbraw/zinc/58/09/84/600580984.db2.gz KUMILCYXHCGKNO-YCPHGPKFSA-N -1 1 350.484 2.362 20 0 FEADMM COC1CCC(N(C)Cn2nc(C(=O)[O-])c(Br)c2C)CC1 ZINC000737733370 600623295 /nfs/dbraw/zinc/62/32/95/600623295.db2.gz KOKNILKUBGXIDN-UHFFFAOYSA-N -1 1 360.252 2.499 20 0 FEADMM CCn1ncc2c1CCC[C@H]2N[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000830450622 600759340 /nfs/dbraw/zinc/75/93/40/600759340.db2.gz DPBVWMAWYJOKDS-CXAGYDPISA-N -1 1 370.453 2.273 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000832956212 600770700 /nfs/dbraw/zinc/77/07/00/600770700.db2.gz PLFHJAYFVXZPCZ-UONOGXRCSA-N -1 1 354.472 2.234 20 0 FEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000828424575 600793074 /nfs/dbraw/zinc/79/30/74/600793074.db2.gz QNIOWZZYJIYGRH-ZWNOBZJWSA-N -1 1 360.863 2.045 20 0 FEADMM O[C@@H](C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000823672382 607468904 /nfs/dbraw/zinc/46/89/04/607468904.db2.gz DKVWHIUMDRSRPC-ZBFHGGJFSA-N -1 1 354.389 2.493 20 0 FEADMM O[C@@H](C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000823672382 607468905 /nfs/dbraw/zinc/46/89/05/607468905.db2.gz DKVWHIUMDRSRPC-ZBFHGGJFSA-N -1 1 354.389 2.493 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCN(C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000833321441 600816702 /nfs/dbraw/zinc/81/67/02/600816702.db2.gz SJRRKEIJBWOMAK-HNNXBMFYSA-N -1 1 368.861 2.214 20 0 FEADMM COC(=O)c1cc(NC(=O)CN2CC[C@@H](CC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831268648 600824085 /nfs/dbraw/zinc/82/40/85/600824085.db2.gz CBKVGKOQFRYYJV-ZDUSSCGKSA-N -1 1 362.426 2.478 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3ccc(F)cc3C2)c(-c2nn[n-]n2)c1C ZINC000826341317 607471851 /nfs/dbraw/zinc/47/18/51/607471851.db2.gz CSLGEIWNCNMPLX-UHFFFAOYSA-N -1 1 370.388 2.212 20 0 FEADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)C(=O)[O-] ZINC000736879579 600956225 /nfs/dbraw/zinc/95/62/25/600956225.db2.gz RBSVZWKWSHBRJN-FZKQIMNGSA-N -1 1 372.469 2.358 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000737681480 600976875 /nfs/dbraw/zinc/97/68/75/600976875.db2.gz JOTWKDAGAKURGT-LEWSCRJBSA-N -1 1 360.410 2.086 20 0 FEADMM CC(C)[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCS1 ZINC000581017185 601037763 /nfs/dbraw/zinc/03/77/63/601037763.db2.gz NPEGRTDDIAUWSR-CJNGLKHVSA-N -1 1 350.484 2.463 20 0 FEADMM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222928 601084014 /nfs/dbraw/zinc/08/40/14/601084014.db2.gz GNYVIFJIDNTTGU-TWMKSMIVSA-N -1 1 354.491 2.368 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000630222002 601091082 /nfs/dbraw/zinc/09/10/82/601091082.db2.gz BPHXWWIQDNUAKA-KWCYVHTRSA-N -1 1 352.381 2.076 20 0 FEADMM Cc1ccc2[nH]cc(CCC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c2c1 ZINC000630223439 601096461 /nfs/dbraw/zinc/09/64/61/601096461.db2.gz JICCQNYSAVYIDE-OAHLLOKOSA-N -1 1 357.454 2.416 20 0 FEADMM CC(C)c1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1C(C)(C)C ZINC000630225817 601098162 /nfs/dbraw/zinc/09/81/62/601098162.db2.gz XLPMUOPZEKQHQZ-AWEZNQCLSA-N -1 1 364.490 2.383 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1OC ZINC000737854321 601100104 /nfs/dbraw/zinc/10/01/04/601100104.db2.gz NPAUZOANWBQGJS-CYBMUJFWSA-N -1 1 363.414 2.104 20 0 FEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)n[nH]1 ZINC000736300035 601100585 /nfs/dbraw/zinc/10/05/85/601100585.db2.gz RBVKLFWKYSTMKV-VIFPVBQESA-N -1 1 364.427 2.076 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)[nH]1 ZINC000736300035 601100590 /nfs/dbraw/zinc/10/05/90/601100590.db2.gz RBVKLFWKYSTMKV-VIFPVBQESA-N -1 1 364.427 2.076 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000827368960 601123231 /nfs/dbraw/zinc/12/32/31/601123231.db2.gz KXSCUBDCHHAMPR-LLVKDONJSA-N -1 1 370.247 2.462 20 0 FEADMM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCc1nc[nH]n1 ZINC000827957203 601136975 /nfs/dbraw/zinc/13/69/75/601136975.db2.gz LWJIGPYOUKQVBN-GFCCVEGCSA-N -1 1 369.381 2.214 20 0 FEADMM C[C@](NCC(=O)NCc1ccccc1OC1CCCC1)(C(=O)[O-])C1CC1 ZINC000827727695 601175235 /nfs/dbraw/zinc/17/52/35/601175235.db2.gz LJOIILHZIQIHHV-HXUWFJFHSA-N -1 1 360.454 2.467 20 0 FEADMM CCCCCn1nc(C)cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829373284 601194381 /nfs/dbraw/zinc/19/43/81/601194381.db2.gz PGWPDOMQIBUWQZ-HNNXBMFYSA-N -1 1 365.478 2.394 20 0 FEADMM Cc1nc([C@H]2CN(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000832991234 601199196 /nfs/dbraw/zinc/19/91/96/601199196.db2.gz LCLLLVGMCMDISL-GFCCVEGCSA-N -1 1 365.777 2.070 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829119574 601244391 /nfs/dbraw/zinc/24/43/91/601244391.db2.gz SHWVHTDNJYGKOT-YCABEKBOSA-N -1 1 366.483 2.327 20 0 FEADMM C[C@H](CS(=O)(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C(=O)[O-] ZINC000828286739 601275412 /nfs/dbraw/zinc/27/54/12/601275412.db2.gz ZKHHFNURPXKKFG-NVXWUHKLSA-N -1 1 368.499 2.100 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)n[nH]2)cc1OC ZINC000832112329 601282972 /nfs/dbraw/zinc/28/29/72/601282972.db2.gz SDZODHUFNDFJDT-NSHDSACASA-N -1 1 373.409 2.419 20 0 FEADMM O=C([O-])c1nn(CN2CCC(CC(=O)N3CCCC3)CC2)c2ccccc21 ZINC000833347131 601398378 /nfs/dbraw/zinc/39/83/78/601398378.db2.gz UXQPDARUKUWXLD-UHFFFAOYSA-N -1 1 370.453 2.417 20 0 FEADMM CCN(CC)C(=O)C1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000829648196 601398633 /nfs/dbraw/zinc/39/86/33/601398633.db2.gz FSOGUMQSFBIYEA-UHFFFAOYSA-N -1 1 358.442 2.272 20 0 FEADMM O=C([O-])[C@]1(F)CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000833175710 601439289 /nfs/dbraw/zinc/43/92/89/601439289.db2.gz SQUZSBPWGVXWDJ-XPTSAGLGSA-N -1 1 352.189 2.232 20 0 FEADMM O=C([O-])C[C@@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CCO1 ZINC000581434896 601459234 /nfs/dbraw/zinc/45/92/34/601459234.db2.gz QRKSKKHWNCGTBL-JKSUJKDBSA-N -1 1 368.433 2.331 20 0 FEADMM CC(C)(C)OC(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000824109589 607509904 /nfs/dbraw/zinc/50/99/04/607509904.db2.gz SAIVUBDJBAQWSS-UHFFFAOYSA-N -1 1 373.461 2.093 20 0 FEADMM C[C@H]1CN(Cc2csc(CNC(=O)c3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000828462546 601510621 /nfs/dbraw/zinc/51/06/21/601510621.db2.gz KQSIPOFAOCQAGU-WFASDCNBSA-N -1 1 359.451 2.226 20 0 FEADMM C[C@H]1CN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451851 601816433 /nfs/dbraw/zinc/81/64/33/601816433.db2.gz VLXBKOOMFMEYTQ-TXCIGDHXSA-N -1 1 365.474 2.123 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000237571755 601835091 /nfs/dbraw/zinc/83/50/91/601835091.db2.gz WRISGXBIOUEXDE-VXGBXAGGSA-N -1 1 374.890 2.437 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000666516305 601849287 /nfs/dbraw/zinc/84/92/87/601849287.db2.gz ITDNNEJXHVAUDG-UHFFFAOYSA-N -1 1 353.422 2.242 20 0 FEADMM O=C([O-])N1CSC[C@@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000740467000 601921990 /nfs/dbraw/zinc/92/19/90/601921990.db2.gz XLNKLWOXGIEKDY-CHWSQXEVSA-N -1 1 362.411 2.406 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000827622150 601924728 /nfs/dbraw/zinc/92/47/28/601924728.db2.gz HKFCTULOQYRCDS-SLEUVZQESA-N -1 1 354.447 2.284 20 0 FEADMM Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000832980171 601928099 /nfs/dbraw/zinc/92/80/99/601928099.db2.gz WSMAFNXRZRFQJG-GDBMZVCRSA-N -1 1 350.484 2.234 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 ZINC000740369606 601929825 /nfs/dbraw/zinc/92/98/25/601929825.db2.gz ORLKDEMELBRXAI-SJORKVTESA-N -1 1 363.433 2.439 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000739059048 601938876 /nfs/dbraw/zinc/93/88/76/601938876.db2.gz QULJYDXAKOFFRJ-VXGBXAGGSA-N -1 1 355.385 2.074 20 0 FEADMM Cc1ccc(-n2nnnc2SCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826281167 607538187 /nfs/dbraw/zinc/53/81/87/607538187.db2.gz HEUZNIIOPZRCHN-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM Cc1ccc(-n2nnnc2SCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826281167 607538189 /nfs/dbraw/zinc/53/81/89/607538189.db2.gz HEUZNIIOPZRCHN-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM C[C@@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738922635 602009797 /nfs/dbraw/zinc/00/97/97/602009797.db2.gz ZWKJXLOEEQDLMC-HNNXBMFYSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])n[nH]1 ZINC000740241990 602011776 /nfs/dbraw/zinc/01/17/76/602011776.db2.gz HLKZJSDDECCNDM-BONVTDFDSA-N -1 1 374.445 2.078 20 0 FEADMM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000830007955 602018348 /nfs/dbraw/zinc/01/83/48/602018348.db2.gz XRHFDLAMDKGFDR-CYBMUJFWSA-N -1 1 361.398 2.186 20 0 FEADMM C[C@H](NC(=O)NCCN1CCc2ccccc2C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738982243 602083889 /nfs/dbraw/zinc/08/38/89/602083889.db2.gz RYPLIOCJVATZAQ-RDJZCZTQSA-N -1 1 374.485 2.122 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)nc2)c1 ZINC000062281449 602156511 /nfs/dbraw/zinc/15/65/11/602156511.db2.gz UZMWDWIOKMRZBJ-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000827375105 602190780 /nfs/dbraw/zinc/19/07/80/602190780.db2.gz QDMFPMALCMYRMD-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000827369258 602383472 /nfs/dbraw/zinc/38/34/72/602383472.db2.gz SNEBFOXTJNOVDZ-CYBMUJFWSA-N -1 1 361.442 2.413 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000739026406 602443813 /nfs/dbraw/zinc/44/38/13/602443813.db2.gz LHRZIFWSOQNALO-YPMHNXCESA-N -1 1 365.396 2.155 20 0 FEADMM O=C([O-])N1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000738645771 602492372 /nfs/dbraw/zinc/49/23/72/602492372.db2.gz QJYFLFAMDZDBEM-UHFFFAOYSA-N -1 1 367.203 2.151 20 0 FEADMM O=C([O-])Nc1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)ccc1F ZINC000740696440 602508034 /nfs/dbraw/zinc/50/80/34/602508034.db2.gz RDGNTNZNPBEEOG-AWEZNQCLSA-N -1 1 365.405 2.243 20 0 FEADMM CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739659294 602536103 /nfs/dbraw/zinc/53/61/03/602536103.db2.gz HRKWBIUVPROKIA-NSHDSACASA-N -1 1 359.879 2.292 20 0 FEADMM C[C@@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000737669581 602541542 /nfs/dbraw/zinc/54/15/42/602541542.db2.gz QRXLLMNGHUFCLY-HNNXBMFYSA-N -1 1 374.485 2.217 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]1C ZINC000824925761 607575060 /nfs/dbraw/zinc/57/50/60/607575060.db2.gz GRFXZAGWFPHAEY-NRUUGDAUSA-N -1 1 353.423 2.109 20 0 FEADMM CC(C)N(CCCNC(=O)NCc1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000738846181 602665122 /nfs/dbraw/zinc/66/51/22/602665122.db2.gz JPDMIVUPDKPXOP-UHFFFAOYSA-N -1 1 360.418 2.049 20 0 FEADMM CC(C)N(CCCNC(=O)NCc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000738846181 602665124 /nfs/dbraw/zinc/66/51/24/602665124.db2.gz JPDMIVUPDKPXOP-UHFFFAOYSA-N -1 1 360.418 2.049 20 0 FEADMM O=S(=O)(NC1(c2ccccc2)CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488538 607584163 /nfs/dbraw/zinc/58/41/63/607584163.db2.gz SGZUFNRZESYMJK-UHFFFAOYSA-N -1 1 373.413 2.364 20 0 FEADMM O=S(=O)(NC1(c2ccccc2)CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488538 607584164 /nfs/dbraw/zinc/58/41/64/607584164.db2.gz SGZUFNRZESYMJK-UHFFFAOYSA-N -1 1 373.413 2.364 20 0 FEADMM C[C@@H]1CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@H]1NC(=O)[O-] ZINC000739170564 602761606 /nfs/dbraw/zinc/76/16/06/602761606.db2.gz GQCTZYLWBZTNEP-CZUORRHYSA-N -1 1 370.453 2.031 20 0 FEADMM C[C@@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739176689 602793291 /nfs/dbraw/zinc/79/32/91/602793291.db2.gz UXDYXNAJMMICHA-VQIMIIECSA-N -1 1 373.497 2.446 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc(Br)c2O)C[C@H](C)N1C(=O)[O-] ZINC000739164361 602907180 /nfs/dbraw/zinc/90/71/80/602907180.db2.gz CDDWENCYEQLTRM-DTORHVGOSA-N -1 1 357.204 2.368 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739136608 602955790 /nfs/dbraw/zinc/95/57/90/602955790.db2.gz OUYURWBDNDIUGN-UPJWGTAASA-N -1 1 354.476 2.133 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000740571866 603026737 /nfs/dbraw/zinc/02/67/37/603026737.db2.gz FISDNZQNXSYJMA-IAGOWNOFSA-N -1 1 363.433 2.343 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000740571863 603026902 /nfs/dbraw/zinc/02/69/02/603026902.db2.gz FISDNZQNXSYJMA-DLBZAZTESA-N -1 1 363.433 2.343 20 0 FEADMM CCN(C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825390639 607602869 /nfs/dbraw/zinc/60/28/69/607602869.db2.gz IOLXURJEGHFXND-UHFFFAOYSA-N -1 1 363.365 2.305 20 0 FEADMM O=C([O-])N1CCN(C(=O)c2nnc3ccccc3c2O)c2ccccc2C1 ZINC000740527989 603059044 /nfs/dbraw/zinc/05/90/44/603059044.db2.gz XVSSZFIJAPCNLP-UHFFFAOYSA-N -1 1 364.361 2.476 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=Cc3ccco3)cc2)n1 ZINC000740681448 603060113 /nfs/dbraw/zinc/06/01/13/603060113.db2.gz KYKSBYKBLPFOPC-BQYQJAHWSA-N -1 1 353.338 2.484 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C=Cc3ccco3)cc2)n[nH]1 ZINC000740681448 603060119 /nfs/dbraw/zinc/06/01/19/603060119.db2.gz KYKSBYKBLPFOPC-BQYQJAHWSA-N -1 1 353.338 2.484 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000740117250 603082944 /nfs/dbraw/zinc/08/29/44/603082944.db2.gz JACITVPUVJPTJV-LSDHHAIUSA-N -1 1 364.446 2.070 20 0 FEADMM CCCN(C(=O)NCc1n[nH]c(-c2ccccc2)n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739345176 603127759 /nfs/dbraw/zinc/12/77/59/603127759.db2.gz VUOGAEJTUNHWDW-AWEZNQCLSA-N -1 1 372.429 2.146 20 0 FEADMM CCCN(C(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739345176 603127762 /nfs/dbraw/zinc/12/77/62/603127762.db2.gz VUOGAEJTUNHWDW-AWEZNQCLSA-N -1 1 372.429 2.146 20 0 FEADMM CC(C)CNc1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000824265989 607611405 /nfs/dbraw/zinc/61/14/05/607611405.db2.gz AESCQQYETJNYLE-UHFFFAOYSA-N -1 1 359.415 2.143 20 0 FEADMM CC(C)CNc1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000824265989 607611406 /nfs/dbraw/zinc/61/14/06/607611406.db2.gz AESCQQYETJNYLE-UHFFFAOYSA-N -1 1 359.415 2.143 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)c2)CC1 ZINC000739735687 603181720 /nfs/dbraw/zinc/18/17/20/603181720.db2.gz CUXJPNYJXLPNJC-AEFFLSMTSA-N -1 1 374.485 2.199 20 0 FEADMM O=S(=O)(NCc1coc2ccccc12)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491963 607617866 /nfs/dbraw/zinc/61/78/66/607617866.db2.gz MAPGTTXQFUBMTB-UHFFFAOYSA-N -1 1 373.369 2.231 20 0 FEADMM O=C([O-])N1CC[C@H](C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000740495111 603296718 /nfs/dbraw/zinc/29/67/18/603296718.db2.gz WMENTEPTFFAJHI-HNNXBMFYSA-N -1 1 369.425 2.178 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(CNC(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000824973153 603306425 /nfs/dbraw/zinc/30/64/25/603306425.db2.gz DTOWRVCWXFGHMI-ZDUSSCGKSA-N -1 1 357.410 2.224 20 0 FEADMM O=C([O-])N1CC[C@H](CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 ZINC000740497855 603325405 /nfs/dbraw/zinc/32/54/05/603325405.db2.gz BSJQLSQLLSHTNW-OAHLLOKOSA-N -1 1 365.861 2.027 20 0 FEADMM CCN(CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)C(=O)[O-] ZINC000739394473 603375177 /nfs/dbraw/zinc/37/51/77/603375177.db2.gz WSVIKSXEFMOOIP-KRWDZBQOSA-N -1 1 363.458 2.338 20 0 FEADMM CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1C)C(=O)[O-] ZINC000739397572 603385508 /nfs/dbraw/zinc/38/55/08/603385508.db2.gz NWKQZCUSDSIKLY-UHFFFAOYSA-N -1 1 351.472 2.482 20 0 FEADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(NS(C)(=O)=O)c1 ZINC000825503111 603543655 /nfs/dbraw/zinc/54/36/55/603543655.db2.gz OOVGUVAYXLOHRJ-NSHDSACASA-N -1 1 364.427 2.394 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1cccc(F)c1 ZINC000828137723 603564881 /nfs/dbraw/zinc/56/48/81/603564881.db2.gz MMMUUHFINDEBMX-OAHLLOKOSA-N -1 1 368.453 2.364 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827994866 603674101 /nfs/dbraw/zinc/67/41/01/603674101.db2.gz ODUMRVCJQKNIOB-CABCVRRESA-N -1 1 368.865 2.336 20 0 FEADMM Cc1ccc(F)c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826289560 607644210 /nfs/dbraw/zinc/64/42/10/607644210.db2.gz FTPFTXZAAYPJNY-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1ccc(F)c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826289560 607644211 /nfs/dbraw/zinc/64/42/11/607644211.db2.gz FTPFTXZAAYPJNY-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCc3cscn3)cc2)n1 ZINC000832729571 603736319 /nfs/dbraw/zinc/73/63/19/603736319.db2.gz GDKZQXDMSSALKI-UHFFFAOYSA-N -1 1 372.410 2.267 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCc3cscn3)cc2)n[nH]1 ZINC000832729571 603736320 /nfs/dbraw/zinc/73/63/20/603736320.db2.gz GDKZQXDMSSALKI-UHFFFAOYSA-N -1 1 372.410 2.267 20 0 FEADMM CN(C(=O)[O-])[C@H]1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000827889094 603820878 /nfs/dbraw/zinc/82/08/78/603820878.db2.gz CXPJUGSPCQRDON-INIZCTEOSA-N -1 1 357.410 2.394 20 0 FEADMM CC(C)[C@@H](CCN(C)CC(=O)N[C@@H]1CCOc2ccccc21)NC(=O)[O-] ZINC000824100626 603823437 /nfs/dbraw/zinc/82/34/37/603823437.db2.gz XSGRSFKOYNBGKA-HZPDHXFCSA-N -1 1 363.458 2.241 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827995141 603994382 /nfs/dbraw/zinc/99/43/82/603994382.db2.gz QKSSNNZTLOXJPJ-RHSMWYFYSA-N -1 1 353.850 2.449 20 0 FEADMM Cc1cc2c[nH]nc2c(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1 ZINC000829924040 604071541 /nfs/dbraw/zinc/07/15/41/604071541.db2.gz DCCLHHLSLOJISM-UHFFFAOYSA-N -1 1 360.414 2.150 20 0 FEADMM C[NH+](C)CCCOC1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000828023967 604098156 /nfs/dbraw/zinc/09/81/56/604098156.db2.gz IYQQESZCJKFMBM-UHFFFAOYSA-N -1 1 365.430 2.055 20 0 FEADMM CC1CCC(N(C)C(=O)CN2CCC(OCCCNC(=O)[O-])CC2)CC1 ZINC000825874112 604107344 /nfs/dbraw/zinc/10/73/44/604107344.db2.gz ZGXPUDPFOOYLSW-UHFFFAOYSA-N -1 1 369.506 2.162 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825893838 604107431 /nfs/dbraw/zinc/10/74/31/604107431.db2.gz BKPCCUPRJGDRGD-INMHGKMJSA-N -1 1 369.506 2.209 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000825255398 604166467 /nfs/dbraw/zinc/16/64/67/604166467.db2.gz QREPRZSYSWVETI-HIFRSBDPSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256523 604223615 /nfs/dbraw/zinc/22/36/15/604223615.db2.gz YOYYHAWNQRMJJQ-GUTXKFCHSA-N -1 1 351.422 2.199 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000825252509 604246374 /nfs/dbraw/zinc/24/63/74/604246374.db2.gz FBVKGFBKTSJTCI-STQMWFEESA-N -1 1 351.472 2.001 20 0 FEADMM C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252998 604251957 /nfs/dbraw/zinc/25/19/57/604251957.db2.gz HOOVOTWAXJNCAD-GZBFAFLISA-N -1 1 351.422 2.199 20 0 FEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000832847718 604293476 /nfs/dbraw/zinc/29/34/76/604293476.db2.gz ZZQGERVUFWCCGU-UHFFFAOYSA-N -1 1 370.453 2.329 20 0 FEADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830304538 604326937 /nfs/dbraw/zinc/32/69/37/604326937.db2.gz PKXIBRSPWOUDEO-ZDUSSCGKSA-N -1 1 374.401 2.087 20 0 FEADMM C[C@@](CNC(=O)[O-])(NCc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CC1 ZINC000824953772 604342517 /nfs/dbraw/zinc/34/25/17/604342517.db2.gz XFMAAZALKQWRLJ-KRWDZBQOSA-N -1 1 362.455 2.412 20 0 FEADMM C[C@](CNC(=O)[O-])(NCc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CC1 ZINC000824953775 604342566 /nfs/dbraw/zinc/34/25/66/604342566.db2.gz XFMAAZALKQWRLJ-QGZVFWFLSA-N -1 1 362.455 2.412 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(CNC3CN(C(=O)[O-])C3)c2)cc1 ZINC000829283942 604419708 /nfs/dbraw/zinc/41/97/08/604419708.db2.gz BKVDETSJKFWTEC-UHFFFAOYSA-N -1 1 355.394 2.399 20 0 FEADMM O=C([O-])NC1(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)CC1 ZINC000832180540 604446070 /nfs/dbraw/zinc/44/60/70/604446070.db2.gz LMRKUDKRIIQHPU-UHFFFAOYSA-N -1 1 374.441 2.240 20 0 FEADMM CCOC(=O)N[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)C1 ZINC000829861247 604458009 /nfs/dbraw/zinc/45/80/09/604458009.db2.gz PBQUBECURFXMQW-CZUORRHYSA-N -1 1 366.414 2.040 20 0 FEADMM CCOc1ccc([C@H](C)NC(=O)CNC2(C(=O)[O-])CCCC2)cc1OC ZINC000676232560 604476336 /nfs/dbraw/zinc/47/63/36/604476336.db2.gz VWZNOXKSRJHCGW-ZDUSSCGKSA-N -1 1 364.442 2.258 20 0 FEADMM CN(C)C(=O)c1ccc(NC(=O)CNC2(C(=O)[O-])CCCCCC2)cc1 ZINC000833687564 604481690 /nfs/dbraw/zinc/48/16/90/604481690.db2.gz VILFFEXHJGVVCE-UHFFFAOYSA-N -1 1 361.442 2.094 20 0 FEADMM CC(C)(NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000826630360 604485618 /nfs/dbraw/zinc/48/56/18/604485618.db2.gz BRIJMBAGRARTBS-MRXNPFEDSA-N -1 1 372.421 2.131 20 0 FEADMM CC(=O)NC(=Cc1ccccc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833394897 604500432 /nfs/dbraw/zinc/50/04/32/604500432.db2.gz HXQDTBDYAHIFAJ-XNTDXEJSSA-N -1 1 364.361 2.377 20 0 FEADMM C[C@@H](CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000826057956 604669633 /nfs/dbraw/zinc/66/96/33/604669633.db2.gz LJOSOGMWFUKMOH-HRCADAONSA-N -1 1 369.506 2.018 20 0 FEADMM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CN1CCCC[C@H]1CC(=O)[O-])C2=O ZINC000833595584 604686373 /nfs/dbraw/zinc/68/63/73/604686373.db2.gz WUEDLSSPGOXKLK-MCIONIFRSA-N -1 1 351.447 2.020 20 0 FEADMM CN1CC[C@@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833697617 604706606 /nfs/dbraw/zinc/70/66/06/604706606.db2.gz HFZYZBLVZONZBC-MSOLQXFVSA-N -1 1 374.462 2.250 20 0 FEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833619022 604721419 /nfs/dbraw/zinc/72/14/19/604721419.db2.gz AKAKJMORTBHFGQ-RVKKMQEKSA-N -1 1 360.454 2.028 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H](CNC(=O)[O-])C3)n[nH]2)cc1 ZINC000829234787 604755709 /nfs/dbraw/zinc/75/57/09/604755709.db2.gz USKDDCAVOJNSEW-GFCCVEGCSA-N -1 1 358.398 2.205 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC000833445215 604763830 /nfs/dbraw/zinc/76/38/30/604763830.db2.gz QVYBZYSLOUIDSN-HNNXBMFYSA-N -1 1 365.430 2.086 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3C[C@H](C(=O)[O-])[C@H](C)C3)C2=O)cc1 ZINC000830236693 604764646 /nfs/dbraw/zinc/76/46/46/604764646.db2.gz CYJWKEFRXRSRGA-PSGMQZRDSA-N -1 1 373.453 2.016 20 0 FEADMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833033915 604770854 /nfs/dbraw/zinc/77/08/54/604770854.db2.gz PHUPZGQUIUMRDP-DAXSKMNVSA-N -1 1 366.420 2.054 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3CNC(=O)[O-])n[nH]2)c1 ZINC000829532210 604781150 /nfs/dbraw/zinc/78/11/50/604781150.db2.gz YCYBIVWFIACYPW-CYBMUJFWSA-N -1 1 358.398 2.348 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)c3ccsc3)CC2)O1 ZINC000833579930 604826366 /nfs/dbraw/zinc/82/63/66/604826366.db2.gz NXRAESMKOHRCNT-AWEZNQCLSA-N -1 1 350.440 2.044 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)CN(c3ccccc3)C2=O)C1 ZINC000833420853 604863758 /nfs/dbraw/zinc/86/37/58/604863758.db2.gz ZXXZHLVXLGBGSO-AWEZNQCLSA-N -1 1 359.426 2.236 20 0 FEADMM C[C@@H](c1ccccc1Br)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833548900 604864417 /nfs/dbraw/zinc/86/44/17/604864417.db2.gz IDFLUSGAWICIBZ-NSHDSACASA-N -1 1 367.247 2.361 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833435608 604868831 /nfs/dbraw/zinc/86/88/31/604868831.db2.gz PADQIRJDLBEHCR-JTQLQIEISA-N -1 1 374.397 2.457 20 0 FEADMM O=C([O-])c1cncc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000324980425 604889533 /nfs/dbraw/zinc/88/95/33/604889533.db2.gz RCNLOWMTYRGICW-UHFFFAOYSA-N -1 1 362.285 2.479 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000833421453 604953903 /nfs/dbraw/zinc/95/39/03/604953903.db2.gz OIEKGEXRAHQLKD-LLVKDONJSA-N -1 1 351.472 2.393 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@H]3CN(C)C(=O)[O-])n[nH]2)c1 ZINC000829532197 604968520 /nfs/dbraw/zinc/96/85/20/604968520.db2.gz XWWKULRJPONZLU-ZDUSSCGKSA-N -1 1 358.398 2.300 20 0 FEADMM CC(C)c1nc([C@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)n[nH]1 ZINC000833511732 605020903 /nfs/dbraw/zinc/02/09/03/605020903.db2.gz BOHVWYQXMWIWAC-QMMMGPOBSA-N -1 1 352.420 2.285 20 0 FEADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CCN1C ZINC000833595125 605039444 /nfs/dbraw/zinc/03/94/44/605039444.db2.gz CNYKGHDPABENSU-CMPLNLGQSA-N -1 1 360.863 2.141 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000833624840 605044170 /nfs/dbraw/zinc/04/41/70/605044170.db2.gz LAVWWADKXXYFNY-NVXWUHKLSA-N -1 1 359.470 2.297 20 0 FEADMM CCOc1ccc([C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833664203 605044549 /nfs/dbraw/zinc/04/45/49/605044549.db2.gz REQPMXBILWYPNZ-CABCVRRESA-N -1 1 363.458 2.337 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(F)cc1Cl ZINC000833622657 605051891 /nfs/dbraw/zinc/05/18/91/605051891.db2.gz FQGPRPCHDNSNBP-GFCCVEGCSA-N -1 1 371.840 2.212 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Br)cc1 ZINC000833627591 605106504 /nfs/dbraw/zinc/10/65/04/605106504.db2.gz ZDHLLXNYBPLDQO-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000833622576 605109079 /nfs/dbraw/zinc/10/90/79/605109079.db2.gz BYMUMWVTLHMJHA-GFCCVEGCSA-N -1 1 374.359 2.249 20 0 FEADMM COc1ccc2oc(C)c(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c2c1 ZINC000833734686 605112997 /nfs/dbraw/zinc/11/29/97/605112997.db2.gz BZTYZEUZCPYVMG-LBPRGKRZSA-N -1 1 360.410 2.371 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000833627115 605139224 /nfs/dbraw/zinc/13/92/24/605139224.db2.gz UEXIDSNJUNVSAC-HNNXBMFYSA-N -1 1 372.469 2.291 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000833618970 605161466 /nfs/dbraw/zinc/16/14/66/605161466.db2.gz HRGORHMQOISNEZ-CFHLNLSMSA-N -1 1 365.499 2.461 20 0 FEADMM C[C@@](CNC(=O)[O-])(NCc1csc(-c2ccc(C(N)=O)cc2)n1)C1CC1 ZINC000824953363 605164012 /nfs/dbraw/zinc/16/40/12/605164012.db2.gz VOGQLWQNJXDNRB-SFHVURJKSA-N -1 1 374.466 2.435 20 0 FEADMM CC(C)(O)CN1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833462562 605264280 /nfs/dbraw/zinc/26/42/80/605264280.db2.gz FFUDZEOQHWHMNT-AWEZNQCLSA-N -1 1 360.376 2.220 20 0 FEADMM CCc1cnccc1[C@@H](C)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833675403 605272777 /nfs/dbraw/zinc/27/27/77/605272777.db2.gz YESISAQXEKALCZ-AUUYWEPGSA-N -1 1 367.449 2.333 20 0 FEADMM C[C@@H]1CN(C(=O)/C=C\c2nc3ccccc3s2)CCN1CCC(=O)[O-] ZINC000833619843 605276634 /nfs/dbraw/zinc/27/66/34/605276634.db2.gz VTJMRPMGDOTQKO-FMFIFOJESA-N -1 1 359.451 2.317 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)n[nH]1 ZINC000830030567 605301672 /nfs/dbraw/zinc/30/16/72/605301672.db2.gz OXRAAXRERGBHOA-LRDDRELGSA-N -1 1 363.462 2.213 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)n[nH]1 ZINC000830029981 605301790 /nfs/dbraw/zinc/30/17/90/605301790.db2.gz KVKVTXKVXAKZFL-GFCCVEGCSA-N -1 1 363.462 2.213 20 0 FEADMM COC(=O)C1=C(C)O[C@H](CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)C1 ZINC000833704390 605331854 /nfs/dbraw/zinc/33/18/54/605331854.db2.gz QJYKESCVRHXRQR-DYVFJYSZSA-N -1 1 374.437 2.131 20 0 FEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)cc2C1 ZINC000834193543 605361754 /nfs/dbraw/zinc/36/17/54/605361754.db2.gz CGSDMWZVVZPNBU-IUODEOHRSA-N -1 1 370.413 2.129 20 0 FEADMM O=C([O-])N1CCC(CSCC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000834082615 605412713 /nfs/dbraw/zinc/41/27/13/605412713.db2.gz QVAPUDFGOFZVEY-UHFFFAOYSA-N -1 1 369.468 2.132 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000834162397 605443698 /nfs/dbraw/zinc/44/36/98/605443698.db2.gz UYJKSLILFUFMET-GOOCMWNKSA-N -1 1 355.398 2.265 20 0 FEADMM O=C([O-])N1CCC(CCN2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000834078650 605476227 /nfs/dbraw/zinc/47/62/27/605476227.db2.gz NFYAZWSDOGNFJZ-UHFFFAOYSA-N -1 1 363.433 2.364 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000825815322 605497406 /nfs/dbraw/zinc/49/74/06/605497406.db2.gz BUKWQBBSAUQVCU-QLFBSQMISA-N -1 1 364.446 2.247 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)N(C)C)c1 ZINC000829543025 605586888 /nfs/dbraw/zinc/58/68/88/605586888.db2.gz CIXMEKNXZQVISD-LSDHHAIUSA-N -1 1 351.447 2.096 20 0 FEADMM O=C([O-])N1CC[C@@H](N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)C1 ZINC000834082062 605782429 /nfs/dbraw/zinc/78/24/29/605782429.db2.gz IEBCWKAYLOMLIE-CQSZACIVSA-N -1 1 362.817 2.065 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833831195 605898946 /nfs/dbraw/zinc/89/89/46/605898946.db2.gz MLFRTWMJKKNGJH-UPJWGTAASA-N -1 1 369.412 2.462 20 0 FEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCC3(c4ccccc4)CC3)C2)CC1 ZINC000834008066 605902559 /nfs/dbraw/zinc/90/25/59/605902559.db2.gz SAXKGYJDBWNWGX-UHFFFAOYSA-N -1 1 371.481 2.300 20 0 FEADMM O=C([O-])N1CC[C@@H](CCN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000834076591 605983667 /nfs/dbraw/zinc/98/36/67/605983667.db2.gz ZTWOMIOLZQMFTO-BXUZGUMPSA-N -1 1 356.419 2.024 20 0 FEADMM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170788 605997250 /nfs/dbraw/zinc/99/72/50/605997250.db2.gz QMMUDNUYXJVPKE-ZFWWWQNUSA-N -1 1 361.442 2.018 20 0 FEADMM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)n1 ZINC000559071175 674526932 /nfs/dbraw/zinc/52/69/32/674526932.db2.gz QKBZAIYTFBGETA-SSDOTTSWSA-N -1 1 368.406 2.286 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820979375 606132619 /nfs/dbraw/zinc/13/26/19/606132619.db2.gz HEWDCHSSBKSDLX-WDEREUQCSA-N -1 1 363.443 2.265 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820979375 606132620 /nfs/dbraw/zinc/13/26/20/606132620.db2.gz HEWDCHSSBKSDLX-WDEREUQCSA-N -1 1 363.443 2.265 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCc2ccccc21 ZINC000820508255 606135595 /nfs/dbraw/zinc/13/55/95/606135595.db2.gz NCVKJMFAEFPTIC-SNVBAGLBSA-N -1 1 369.406 2.063 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCc2ccccc21 ZINC000820508255 606135596 /nfs/dbraw/zinc/13/55/96/606135596.db2.gz NCVKJMFAEFPTIC-SNVBAGLBSA-N -1 1 369.406 2.063 20 0 FEADMM CCN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000821155321 606140507 /nfs/dbraw/zinc/14/05/07/606140507.db2.gz YBSBZAHIGCQCAM-UHFFFAOYSA-N -1 1 363.443 2.266 20 0 FEADMM CCN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000821155321 606140509 /nfs/dbraw/zinc/14/05/09/606140509.db2.gz YBSBZAHIGCQCAM-UHFFFAOYSA-N -1 1 363.443 2.266 20 0 FEADMM CCCN(CC(C)(C)O)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821095150 606153223 /nfs/dbraw/zinc/15/32/23/606153223.db2.gz YVDHHTWVPNYVON-UHFFFAOYSA-N -1 1 372.429 2.182 20 0 FEADMM CCCN(CC(C)(C)O)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821095150 606153224 /nfs/dbraw/zinc/15/32/24/606153224.db2.gz YVDHHTWVPNYVON-UHFFFAOYSA-N -1 1 372.429 2.182 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)CC2CCC2)n1 ZINC000822605084 606160116 /nfs/dbraw/zinc/16/01/16/606160116.db2.gz XTKWMCKIANNUNS-UHFFFAOYSA-N -1 1 366.429 2.434 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)CC2CCC2)n1 ZINC000822605084 606160117 /nfs/dbraw/zinc/16/01/17/606160117.db2.gz XTKWMCKIANNUNS-UHFFFAOYSA-N -1 1 366.429 2.434 20 0 FEADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820915182 606161063 /nfs/dbraw/zinc/16/10/63/606161063.db2.gz SSCDFYVOARLFLZ-ZDUSSCGKSA-N -1 1 354.418 2.085 20 0 FEADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820915182 606161064 /nfs/dbraw/zinc/16/10/64/606161064.db2.gz SSCDFYVOARLFLZ-ZDUSSCGKSA-N -1 1 354.418 2.085 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000822614958 606162286 /nfs/dbraw/zinc/16/22/86/606162286.db2.gz YCDAQLQOHAEEFF-UKRRQHHQSA-N -1 1 366.429 2.133 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000822614958 606162287 /nfs/dbraw/zinc/16/22/87/606162287.db2.gz YCDAQLQOHAEEFF-UKRRQHHQSA-N -1 1 366.429 2.133 20 0 FEADMM COC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(C(C)=O)c1 ZINC000821669540 606178997 /nfs/dbraw/zinc/17/89/97/606178997.db2.gz QJBVHKAQCJXJCZ-UHFFFAOYSA-N -1 1 372.362 2.137 20 0 FEADMM COC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(C(C)=O)c1 ZINC000821669540 606178999 /nfs/dbraw/zinc/17/89/99/606178999.db2.gz QJBVHKAQCJXJCZ-UHFFFAOYSA-N -1 1 372.362 2.137 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(Cl)cn1 ZINC000822010265 606185966 /nfs/dbraw/zinc/18/59/66/606185966.db2.gz VSGGHYAYBZCFBL-UHFFFAOYSA-N -1 1 373.804 2.204 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823118658 606194627 /nfs/dbraw/zinc/19/46/27/606194627.db2.gz KLDAURSATHYRLI-UHFFFAOYSA-N -1 1 368.378 2.470 20 0 FEADMM CCC(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000820838599 606195385 /nfs/dbraw/zinc/19/53/85/606195385.db2.gz XNNCTRTYISFENC-UHFFFAOYSA-N -1 1 352.354 2.173 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2c(c(Cl)c1)OCO2 ZINC000823294868 606195584 /nfs/dbraw/zinc/19/55/84/606195584.db2.gz VKKHAYHSIREPEL-UHFFFAOYSA-N -1 1 359.729 2.207 20 0 FEADMM COc1ccc(CCC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1 ZINC000821790887 606238334 /nfs/dbraw/zinc/23/83/34/606238334.db2.gz VUDXGYLIOGOMQC-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM COc1ccc(CCC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821790887 606238335 /nfs/dbraw/zinc/23/83/35/606238335.db2.gz VUDXGYLIOGOMQC-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC000822530452 606238353 /nfs/dbraw/zinc/23/83/53/606238353.db2.gz BUQSQLPTRXMLAY-UHFFFAOYSA-N -1 1 370.438 2.162 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000822530452 606238354 /nfs/dbraw/zinc/23/83/54/606238354.db2.gz BUQSQLPTRXMLAY-UHFFFAOYSA-N -1 1 370.438 2.162 20 0 FEADMM CS(=O)(=O)Cc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821932436 606462466 /nfs/dbraw/zinc/46/24/66/606462466.db2.gz MMRHWGKYDFMPRG-UHFFFAOYSA-N -1 1 364.818 2.203 20 0 FEADMM CS(=O)(=O)Cc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821932436 606462467 /nfs/dbraw/zinc/46/24/67/606462467.db2.gz MMRHWGKYDFMPRG-UHFFFAOYSA-N -1 1 364.818 2.203 20 0 FEADMM CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821496441 606491624 /nfs/dbraw/zinc/49/16/24/606491624.db2.gz GBQWZKLRUAFRJD-UHFFFAOYSA-N -1 1 370.438 2.201 20 0 FEADMM CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821496441 606491625 /nfs/dbraw/zinc/49/16/25/606491625.db2.gz GBQWZKLRUAFRJD-UHFFFAOYSA-N -1 1 370.438 2.201 20 0 FEADMM O=C(Oc1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823455250 606497668 /nfs/dbraw/zinc/49/76/68/606497668.db2.gz ZGHJJNRINVTFAL-UHFFFAOYSA-N -1 1 355.379 2.274 20 0 FEADMM O=C(Oc1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823455250 606497670 /nfs/dbraw/zinc/49/76/70/606497670.db2.gz ZGHJJNRINVTFAL-UHFFFAOYSA-N -1 1 355.379 2.274 20 0 FEADMM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363866 606498018 /nfs/dbraw/zinc/49/80/18/606498018.db2.gz PKDDKGKTXLYXEI-UHFFFAOYSA-N -1 1 354.395 2.307 20 0 FEADMM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363866 606498020 /nfs/dbraw/zinc/49/80/20/606498020.db2.gz PKDDKGKTXLYXEI-UHFFFAOYSA-N -1 1 354.395 2.307 20 0 FEADMM O=C(NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261705 606528256 /nfs/dbraw/zinc/52/82/56/606528256.db2.gz QUSFPQSXNISFLW-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261705 606528258 /nfs/dbraw/zinc/52/82/58/606528258.db2.gz QUSFPQSXNISFLW-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(NCc1ccccc1-n1cccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261672 606538454 /nfs/dbraw/zinc/53/84/54/606538454.db2.gz PSFNKESVJWYHRZ-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(NCc1ccccc1-n1cccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261672 606538455 /nfs/dbraw/zinc/53/84/55/606538455.db2.gz PSFNKESVJWYHRZ-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823375796 606595606 /nfs/dbraw/zinc/59/56/06/606595606.db2.gz KLRCHIBKGAKBRJ-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823375796 606595609 /nfs/dbraw/zinc/59/56/09/606595609.db2.gz KLRCHIBKGAKBRJ-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM CC(C)Oc1cccc([C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820178603 606597978 /nfs/dbraw/zinc/59/79/78/606597978.db2.gz VSRHVZXKUASNSF-ZDUSSCGKSA-N -1 1 373.438 2.179 20 0 FEADMM CC(C)Oc1cccc([C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820178603 606597980 /nfs/dbraw/zinc/59/79/80/606597980.db2.gz VSRHVZXKUASNSF-ZDUSSCGKSA-N -1 1 373.438 2.179 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823478072 606641513 /nfs/dbraw/zinc/64/15/13/606641513.db2.gz FNZAAXGOFWSXAA-GXTWGEPZSA-N -1 1 370.438 2.052 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823478072 606641514 /nfs/dbraw/zinc/64/15/14/606641514.db2.gz FNZAAXGOFWSXAA-GXTWGEPZSA-N -1 1 370.438 2.052 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823436466 606647540 /nfs/dbraw/zinc/64/75/40/606647540.db2.gz WSQAYUYBWWVQGL-NWDGAFQWSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823436466 606647541 /nfs/dbraw/zinc/64/75/41/606647541.db2.gz WSQAYUYBWWVQGL-NWDGAFQWSA-N -1 1 357.320 2.387 20 0 FEADMM Clc1cccnc1OCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000822591552 606722832 /nfs/dbraw/zinc/72/28/32/606722832.db2.gz UVWFYNQORMOIGV-UHFFFAOYSA-N -1 1 368.788 2.349 20 0 FEADMM Clc1cccnc1OCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000822591552 606722834 /nfs/dbraw/zinc/72/28/34/606722834.db2.gz UVWFYNQORMOIGV-UHFFFAOYSA-N -1 1 368.788 2.349 20 0 FEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2nccc(N)n2)n1 ZINC000822191362 606768789 /nfs/dbraw/zinc/76/87/89/606768789.db2.gz JJMSQIQZINKBAS-UHFFFAOYSA-N -1 1 368.348 2.253 20 0 FEADMM C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820697458 606842031 /nfs/dbraw/zinc/84/20/31/606842031.db2.gz HPTIXXPUAFGBCH-PWSUYJOCSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820697498 606844624 /nfs/dbraw/zinc/84/46/24/606844624.db2.gz HZFQMDRNXOZQBS-WDEREUQCSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820826516 606845012 /nfs/dbraw/zinc/84/50/12/606845012.db2.gz NFTHCNVYTVLHGZ-JTQLQIEISA-N -1 1 359.386 2.271 20 0 FEADMM CCC1(CC)CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820958411 606845279 /nfs/dbraw/zinc/84/52/79/606845279.db2.gz UTGUAQVZTFOKDK-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820386489 606948353 /nfs/dbraw/zinc/94/83/53/606948353.db2.gz ZJOYXCLXRJIGOQ-STQMWFEESA-N -1 1 373.461 2.391 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820386489 606948355 /nfs/dbraw/zinc/94/83/55/606948355.db2.gz ZJOYXCLXRJIGOQ-STQMWFEESA-N -1 1 373.461 2.391 20 0 FEADMM COc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000821703006 607024142 /nfs/dbraw/zinc/02/41/42/607024142.db2.gz KOECWTGSKAJPTG-UHFFFAOYSA-N -1 1 368.325 2.186 20 0 FEADMM COc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccc1OC(F)F ZINC000821703006 607024143 /nfs/dbraw/zinc/02/41/43/607024143.db2.gz KOECWTGSKAJPTG-UHFFFAOYSA-N -1 1 368.325 2.186 20 0 FEADMM C[C@@H](O)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736143931 607207683 /nfs/dbraw/zinc/20/76/83/607207683.db2.gz MLXNPWWDYXYDNE-LLVKDONJSA-N -1 1 372.454 2.165 20 0 FEADMM Cc1cc(Cl)ncc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826267690 607812150 /nfs/dbraw/zinc/81/21/50/607812150.db2.gz QKCQVFIRLSNBKK-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000826418776 607864771 /nfs/dbraw/zinc/86/47/71/607864771.db2.gz WDFXJCHKGSKEOQ-SECBINFHSA-N -1 1 373.310 2.186 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000826418776 607864772 /nfs/dbraw/zinc/86/47/72/607864772.db2.gz WDFXJCHKGSKEOQ-SECBINFHSA-N -1 1 373.310 2.186 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1c(F)cc(F)cc1F ZINC000826493411 607867925 /nfs/dbraw/zinc/86/79/25/607867925.db2.gz JJIMXRQBFOBNSH-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1c(F)cc(F)cc1F ZINC000826493411 607867926 /nfs/dbraw/zinc/86/79/26/607867926.db2.gz JJIMXRQBFOBNSH-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM O[C@@H](COc1ccccc1Cl)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826505276 607875344 /nfs/dbraw/zinc/87/53/44/607875344.db2.gz RBZNUENZKLFVQH-JTQLQIEISA-N -1 1 364.764 2.478 20 0 FEADMM O[C@@H](COc1ccccc1Cl)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826505276 607875345 /nfs/dbraw/zinc/87/53/45/607875345.db2.gz RBZNUENZKLFVQH-JTQLQIEISA-N -1 1 364.764 2.478 20 0 FEADMM Cc1oc(NC(=O)CN2CC=C(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1C ZINC000826341588 607942288 /nfs/dbraw/zinc/94/22/88/607942288.db2.gz LIDDNDLJHZMWHY-UHFFFAOYSA-N -1 1 370.335 2.209 20 0 FEADMM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826505380 607990760 /nfs/dbraw/zinc/99/07/60/607990760.db2.gz UKBPUXXMEJSLSY-INIZCTEOSA-N -1 1 371.832 2.260 20 0 FEADMM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826505380 607990761 /nfs/dbraw/zinc/99/07/61/607990761.db2.gz UKBPUXXMEJSLSY-INIZCTEOSA-N -1 1 371.832 2.260 20 0 FEADMM COC1CCC(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000826144775 608005681 /nfs/dbraw/zinc/00/56/81/608005681.db2.gz RRFKETOAKCBYCP-UHFFFAOYSA-N -1 1 361.450 2.352 20 0 FEADMM COC1CCC(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826144775 608005682 /nfs/dbraw/zinc/00/56/82/608005682.db2.gz RRFKETOAKCBYCP-UHFFFAOYSA-N -1 1 361.450 2.352 20 0 FEADMM COc1ccccc1[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccccn1 ZINC000826219358 608017246 /nfs/dbraw/zinc/01/72/46/608017246.db2.gz ZKGBNOQQVOJSOJ-OAHLLOKOSA-N -1 1 360.381 2.262 20 0 FEADMM COc1ccccc1[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccccn1 ZINC000826219358 608017247 /nfs/dbraw/zinc/01/72/47/608017247.db2.gz ZKGBNOQQVOJSOJ-OAHLLOKOSA-N -1 1 360.381 2.262 20 0 FEADMM CS(=O)(=O)c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826224223 608171056 /nfs/dbraw/zinc/17/10/56/608171056.db2.gz VDXZXHYMGWGSHI-UHFFFAOYSA-N -1 1 357.804 2.172 20 0 FEADMM Oc1cccc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)c1 ZINC000826511313 608173385 /nfs/dbraw/zinc/17/33/85/608173385.db2.gz KLRUYBJHJRXRIG-UHFFFAOYSA-N -1 1 363.834 2.009 20 0 FEADMM Oc1cccc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC000826511313 608173387 /nfs/dbraw/zinc/17/33/87/608173387.db2.gz KLRUYBJHJRXRIG-UHFFFAOYSA-N -1 1 363.834 2.009 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826523266 608199116 /nfs/dbraw/zinc/19/91/16/608199116.db2.gz HCMJNJTZMYXIGC-XIKOKIGWSA-N -1 1 352.398 2.165 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826523266 608199118 /nfs/dbraw/zinc/19/91/18/608199118.db2.gz HCMJNJTZMYXIGC-XIKOKIGWSA-N -1 1 352.398 2.165 20 0 FEADMM CCc1nn(Cc2cccc(F)c2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763178 608218487 /nfs/dbraw/zinc/21/84/87/608218487.db2.gz RKRDKRIFPAKSGN-UHFFFAOYSA-N -1 1 362.796 2.389 20 0 FEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824977925 608261485 /nfs/dbraw/zinc/26/14/85/608261485.db2.gz SXGLRUMVBFMIAI-OLZOCXBDSA-N -1 1 373.461 2.091 20 0 FEADMM Cn1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cc1=O ZINC000826362633 608348867 /nfs/dbraw/zinc/34/88/67/608348867.db2.gz BOTGJTGECQNSOE-UHFFFAOYSA-N -1 1 358.427 2.177 20 0 FEADMM Cn1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cc1=O ZINC000826362633 608348869 /nfs/dbraw/zinc/34/88/69/608348869.db2.gz BOTGJTGECQNSOE-UHFFFAOYSA-N -1 1 358.427 2.177 20 0 FEADMM Cc1cccc(NC(=O)CN(C)c2nc(-c3nnn[n-]3)ccc2C)c1C ZINC000826279878 608542510 /nfs/dbraw/zinc/54/25/10/608542510.db2.gz FXZBGXDUCYUOHC-UHFFFAOYSA-N -1 1 351.414 2.262 20 0 FEADMM Cc1cccc(NC(=O)CN(C)c2nc(-c3nn[n-]n3)ccc2C)c1C ZINC000826279878 608542512 /nfs/dbraw/zinc/54/25/12/608542512.db2.gz FXZBGXDUCYUOHC-UHFFFAOYSA-N -1 1 351.414 2.262 20 0 FEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825892484 608673879 /nfs/dbraw/zinc/67/38/79/608673879.db2.gz MJDBGLMPCMYAPH-UHFFFAOYSA-N -1 1 364.381 2.277 20 0 FEADMM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1nc(-c2cccnc2)no1 ZINC000825992119 608697651 /nfs/dbraw/zinc/69/76/51/608697651.db2.gz PQLSFWNLLQDNMH-UHFFFAOYSA-N -1 1 354.399 2.005 20 0 FEADMM CCCCOc1ccc(-c2nnc(Cn3ccnc3-c3nnn[n-]3)o2)cc1 ZINC000825291449 608893702 /nfs/dbraw/zinc/89/37/02/608893702.db2.gz SMTFLFXRHTUTLQ-UHFFFAOYSA-N -1 1 366.385 2.340 20 0 FEADMM CCCCOc1ccc(-c2nnc(Cn3ccnc3-c3nn[n-]n3)o2)cc1 ZINC000825291449 608893704 /nfs/dbraw/zinc/89/37/04/608893704.db2.gz SMTFLFXRHTUTLQ-UHFFFAOYSA-N -1 1 366.385 2.340 20 0 FEADMM Fc1cccc(-n2ccc(NCCOCC(F)(F)F)n2)c1-c1nn[n-]n1 ZINC000826376963 609278434 /nfs/dbraw/zinc/27/84/34/609278434.db2.gz ZECXNHWGSQHEFV-UHFFFAOYSA-N -1 1 371.298 2.182 20 0 FEADMM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)[nH]1 ZINC000826260472 609291165 /nfs/dbraw/zinc/29/11/65/609291165.db2.gz POAVEDCQTPGCBM-UHFFFAOYSA-N -1 1 366.360 2.389 20 0 FEADMM C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824420280 609358249 /nfs/dbraw/zinc/35/82/49/609358249.db2.gz GSISIGMAXCTYQA-JTQLQIEISA-N -1 1 370.392 2.359 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C[C@H]2CCC[C@@H]21 ZINC000826458590 609365052 /nfs/dbraw/zinc/36/50/52/609365052.db2.gz WQUWNPOOVYPKML-PWSUYJOCSA-N -1 1 368.376 2.208 20 0 FEADMM CC[C@@H]1C[C@@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825182584 609392830 /nfs/dbraw/zinc/39/28/30/609392830.db2.gz LCQPCZJJSGRBBC-NWDGAFQWSA-N -1 1 361.450 2.352 20 0 FEADMM CC[C@@H]1C[C@@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825182584 609392832 /nfs/dbraw/zinc/39/28/32/609392832.db2.gz LCQPCZJJSGRBBC-NWDGAFQWSA-N -1 1 361.450 2.352 20 0 FEADMM C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)C1 ZINC000824916147 609401506 /nfs/dbraw/zinc/40/15/06/609401506.db2.gz JMHSPRUJATXVIG-MEDUHNTESA-N -1 1 365.434 2.207 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@@H]2C[C@]2(CO)C1 ZINC000811331636 674595277 /nfs/dbraw/zinc/59/52/77/674595277.db2.gz QZLAINZEFSIMBZ-XXFAHNHDSA-N -1 1 363.211 2.157 20 0 FEADMM CCN(CCN1CCCCCC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000561291566 674653754 /nfs/dbraw/zinc/65/37/54/674653754.db2.gz DVWDYAHITOHLMR-UHFFFAOYSA-N -1 1 360.501 2.333 20 0 FEADMM O=C([N-]OC/C=C\Cl)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000812409763 674673527 /nfs/dbraw/zinc/67/35/27/674673527.db2.gz XSWHPTBLVKQEOL-GCLPIYDQSA-N -1 1 373.236 2.368 20 0 FEADMM O=S(=O)(C[C@H]1CCCCO1)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000641692092 677214100 /nfs/dbraw/zinc/21/41/00/677214100.db2.gz KWVOGANNFLTUQZ-MRVPVSSYSA-N -1 1 361.773 2.410 20 0 FEADMM CC(C)OCCONC(=O)c1cc(I)ccc1[O-] ZINC000812803329 674699188 /nfs/dbraw/zinc/69/91/88/674699188.db2.gz CQAXROZVABBYEN-UHFFFAOYSA-N -1 1 365.167 2.083 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3sc(Cl)cc32)o1 ZINC000562177245 674726783 /nfs/dbraw/zinc/72/67/83/674726783.db2.gz LCMVZYVECTXKEP-QMMMGPOBSA-N -1 1 360.844 2.320 20 0 FEADMM CCc1nc2ccc(Cl)cn2c1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000813235653 674731058 /nfs/dbraw/zinc/73/10/58/674731058.db2.gz UUUXYOGIYPQONJ-UHFFFAOYSA-N -1 1 354.801 2.458 20 0 FEADMM Cc1cc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)no1 ZINC000562333654 674742405 /nfs/dbraw/zinc/74/24/05/674742405.db2.gz KOAOFZDLUDRNEO-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1N1CCOCC1)c1sccc1Cl ZINC000562548057 674768698 /nfs/dbraw/zinc/76/86/98/674768698.db2.gz KVRQDRXAQQJDQK-CHWSQXEVSA-N -1 1 364.920 2.323 20 0 FEADMM CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000813725468 674774622 /nfs/dbraw/zinc/77/46/22/674774622.db2.gz LHNLXHQAPQSOMI-NSHDSACASA-N -1 1 356.806 2.405 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000562913028 674821658 /nfs/dbraw/zinc/82/16/58/674821658.db2.gz ZZAIPDQYZPROOW-UHFFFAOYSA-N -1 1 367.280 2.155 20 0 FEADMM O=C([O-])C[C@H]1CSCCN1Cc1ccc(Cl)cc1-n1cncn1 ZINC000563276750 674868227 /nfs/dbraw/zinc/86/82/27/674868227.db2.gz ASWDCSHGRUJOAE-ZDUSSCGKSA-N -1 1 352.847 2.313 20 0 FEADMM NC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccccc1 ZINC000815079965 674913460 /nfs/dbraw/zinc/91/34/60/674913460.db2.gz CFJARIXMWPVHHO-NSHDSACASA-N -1 1 374.249 2.283 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cn[nH]n3)c2)c1 ZINC000816319203 675046286 /nfs/dbraw/zinc/04/62/86/675046286.db2.gz PLKYUXQXBGKZST-UHFFFAOYSA-N -1 1 357.395 2.166 20 0 FEADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000007709517 669974346 /nfs/dbraw/zinc/97/43/46/669974346.db2.gz XOOWJQHWXAHNTM-UHFFFAOYSA-N -1 1 354.453 2.087 20 0 FEADMM O=c1cc(CSc2nnnn2Cc2ccco2)c2ccc([O-])cc2o1 ZINC000011676663 669998767 /nfs/dbraw/zinc/99/87/67/669998767.db2.gz UTUJNPUFQZWZLE-UHFFFAOYSA-N -1 1 356.363 2.419 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)n1 ZINC000015805411 670013908 /nfs/dbraw/zinc/01/39/08/670013908.db2.gz SAYKBINDNHNGPE-QMMMGPOBSA-N -1 1 366.468 2.414 20 0 FEADMM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000023566958 670049745 /nfs/dbraw/zinc/04/97/45/670049745.db2.gz OURZCBNWQONPCB-VIFPVBQESA-N -1 1 352.749 2.413 20 0 FEADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024357888 670054340 /nfs/dbraw/zinc/05/43/40/670054340.db2.gz TXKOGMGNADCHNL-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC(F)(F)F)o1 ZINC000032937879 670133380 /nfs/dbraw/zinc/13/33/80/670133380.db2.gz GOXGJVGSGXQSBA-UHFFFAOYSA-N -1 1 364.301 2.339 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cc(Br)ccc21)c1nn[n-]n1 ZINC000565021291 675087192 /nfs/dbraw/zinc/08/71/92/675087192.db2.gz UIGKGBMZGAVLJJ-NOZJJQNGSA-N -1 1 364.247 2.254 20 0 FEADMM COc1ccc(-c2nc(C(=O)NN=c3nc(OC)cc[n-]3)cs2)cc1 ZINC000046364387 670222414 /nfs/dbraw/zinc/22/24/14/670222414.db2.gz NPRANCRUIXEFHW-UHFFFAOYSA-N -1 1 357.395 2.374 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1OC ZINC000048492442 670264711 /nfs/dbraw/zinc/26/47/11/670264711.db2.gz RSZHEMWSWJGNHK-UHFFFAOYSA-N -1 1 361.379 2.274 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000051695169 670302542 /nfs/dbraw/zinc/30/25/42/670302542.db2.gz GXNBUZFPVNBOCK-UHFFFAOYSA-N -1 1 370.408 2.427 20 0 FEADMM COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1OC ZINC000055114152 670346365 /nfs/dbraw/zinc/34/63/65/670346365.db2.gz MCLSILCHIBVSME-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000055621007 670353141 /nfs/dbraw/zinc/35/31/41/670353141.db2.gz YGEOJYPIVCRVPX-UHFFFAOYSA-N -1 1 362.407 2.415 20 0 FEADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)NCCc1ccc(F)cc1 ZINC000063543586 670407899 /nfs/dbraw/zinc/40/78/99/670407899.db2.gz SYFDDXVBVFYCDX-UHFFFAOYSA-N -1 1 353.296 2.325 20 0 FEADMM Cn1c(CNC(=O)c2sccc2NC(=O)c2ccncc2)n[n-]c1=S ZINC000067050228 670451965 /nfs/dbraw/zinc/45/19/65/670451965.db2.gz UMMHGIQMGSEBPP-UHFFFAOYSA-N -1 1 374.451 2.116 20 0 FEADMM CCCNC(=O)N[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000070776545 670492124 /nfs/dbraw/zinc/49/21/24/670492124.db2.gz NMLBACCJLPDDLY-UHFFFAOYSA-N -1 1 359.757 2.261 20 0 FEADMM CCc1nnc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)o1 ZINC000817290317 675117841 /nfs/dbraw/zinc/11/78/41/675117841.db2.gz GOFRXUUCSBVFJA-NSHDSACASA-N -1 1 354.332 2.242 20 0 FEADMM Cc1nn(C)c2ncc(NC(=O)NCc3n[n-]c(=S)n3C(C)C)cc12 ZINC000085561460 670681036 /nfs/dbraw/zinc/68/10/36/670681036.db2.gz GHYJEFHBZSRDHR-UHFFFAOYSA-N -1 1 360.447 2.433 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089833763 670706463 /nfs/dbraw/zinc/70/64/63/670706463.db2.gz VZJNVLHBKPVFAZ-SECBINFHSA-N -1 1 353.473 2.241 20 0 FEADMM CO[C@H](C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)C1CC1 ZINC000817490009 675138216 /nfs/dbraw/zinc/13/82/16/675138216.db2.gz KHWIWQKSKQTZFI-JSGCOSHPSA-N -1 1 356.344 2.048 20 0 FEADMM C[C@@H]1OCC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491317 675138492 /nfs/dbraw/zinc/13/84/92/675138492.db2.gz XVAOCJYRFDYSKP-CYZMBNFOSA-N -1 1 356.344 2.048 20 0 FEADMM CCO[C@H](CC)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817491715 675138659 /nfs/dbraw/zinc/13/86/59/675138659.db2.gz DANXHAUQGSAZLG-GXTWGEPZSA-N -1 1 358.360 2.438 20 0 FEADMM O=C(CN1CCC(c2ccccc2C(F)(F)F)CC1)Nc1nnn[n-]1 ZINC000570928872 670789179 /nfs/dbraw/zinc/78/91/79/670789179.db2.gz MORPNHTVJXYFMR-UHFFFAOYSA-N -1 1 354.336 2.037 20 0 FEADMM O=C(CN1CCC(c2ccccc2C(F)(F)F)CC1)Nc1nn[n-]n1 ZINC000570928872 670789181 /nfs/dbraw/zinc/78/91/81/670789181.db2.gz MORPNHTVJXYFMR-UHFFFAOYSA-N -1 1 354.336 2.037 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(c3cccc(OC)c3)CC2)c1 ZINC000571127701 670820701 /nfs/dbraw/zinc/82/07/01/670820701.db2.gz YSQOARCMXSAMTR-UHFFFAOYSA-N -1 1 365.407 2.085 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC(N)=O)c1 ZINC000571466017 670878453 /nfs/dbraw/zinc/87/84/53/670878453.db2.gz GHTGEZNJTPCYEY-UHFFFAOYSA-N -1 1 367.814 2.258 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(c3cccc(F)c3)C2)c1Cl ZINC000116367849 670905018 /nfs/dbraw/zinc/90/50/18/670905018.db2.gz RFPZBFDWHXTLTC-LBPRGKRZSA-N -1 1 372.853 2.160 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)cnc1Cl ZINC000117227915 670913159 /nfs/dbraw/zinc/91/31/59/670913159.db2.gz VMWQGGRDPXEAPV-UHFFFAOYSA-N -1 1 364.818 2.128 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccnc(OC)c2)cc1C ZINC000571742664 670919743 /nfs/dbraw/zinc/91/97/43/670919743.db2.gz CPHSHOJOLHRNTM-UHFFFAOYSA-N -1 1 352.412 2.225 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])s1 ZINC000565855384 675156226 /nfs/dbraw/zinc/15/62/26/675156226.db2.gz UGOGLGGAJSPGRO-UHFFFAOYSA-N -1 1 373.387 2.048 20 0 FEADMM CN(C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1)S(C)(=O)=O ZINC000572304489 670984897 /nfs/dbraw/zinc/98/48/97/670984897.db2.gz ROIMYQLPYFYAFX-GFCCVEGCSA-N -1 1 374.890 2.142 20 0 FEADMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c(Cl)c1 ZINC000572691004 671032324 /nfs/dbraw/zinc/03/23/24/671032324.db2.gz PJDJGRLUONAWAO-UHFFFAOYSA-N -1 1 374.777 2.470 20 0 FEADMM CSCCNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817775581 675176231 /nfs/dbraw/zinc/17/62/31/675176231.db2.gz SNYNXZPNQSYUHP-LLVKDONJSA-N -1 1 361.389 2.169 20 0 FEADMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1cccc2c1OC(F)(F)O2 ZINC000575970225 671334627 /nfs/dbraw/zinc/33/46/27/671334627.db2.gz PPNZXKXJOIPYSC-UHFFFAOYSA-N -1 1 358.326 2.195 20 0 FEADMM CO[C@H](CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CC1 ZINC000566229184 675196178 /nfs/dbraw/zinc/19/61/78/675196178.db2.gz KIJQOYFHOLJUDQ-OAHLLOKOSA-N -1 1 357.428 2.339 20 0 FEADMM CC(C)C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000576881311 671401658 /nfs/dbraw/zinc/40/16/58/671401658.db2.gz ZBFJGQIICUOPSS-HNNXBMFYSA-N -1 1 374.890 2.146 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-][C@]1(C(F)(F)F)CCc2ccccc21 ZINC000577438452 671595880 /nfs/dbraw/zinc/59/58/80/671595880.db2.gz NSHHZXWNCYFADD-CQSZACIVSA-N -1 1 359.373 2.411 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000577929545 671629076 /nfs/dbraw/zinc/62/90/76/671629076.db2.gz HXJCVZGKQVHJCU-VIFPVBQESA-N -1 1 351.346 2.326 20 0 FEADMM COCCN(C(C)=O)c1nc(CSc2ncc(C)c(=O)[n-]2)cs1 ZINC000578787075 671689555 /nfs/dbraw/zinc/68/95/55/671689555.db2.gz AZFBIENNLVCVJW-UHFFFAOYSA-N -1 1 354.457 2.239 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3ccccc3C2)c1 ZINC000580200740 671790005 /nfs/dbraw/zinc/79/00/05/671790005.db2.gz GOPNDBIZGUJGDB-CQSZACIVSA-N -1 1 360.435 2.044 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2CCCSC2)n[n-]1 ZINC000580209115 671790577 /nfs/dbraw/zinc/79/05/77/671790577.db2.gz GAVJVOXKXGULIN-RYUDHWBXSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2CCCSC2)[n-]1 ZINC000580209115 671790578 /nfs/dbraw/zinc/79/05/78/671790578.db2.gz GAVJVOXKXGULIN-RYUDHWBXSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2CCCSC2)n1 ZINC000580209115 671790579 /nfs/dbraw/zinc/79/05/79/671790579.db2.gz GAVJVOXKXGULIN-RYUDHWBXSA-N -1 1 354.476 2.328 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000119005494 671890538 /nfs/dbraw/zinc/89/05/38/671890538.db2.gz KKCJNBFUJPNPAP-ZFWWWQNUSA-N -1 1 374.853 2.287 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)c(Br)o1 ZINC000119671006 671905077 /nfs/dbraw/zinc/90/50/77/671905077.db2.gz FGZGCTBUXIIUGW-SFYZADRCSA-N -1 1 366.233 2.296 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)s1 ZINC000581847647 671940700 /nfs/dbraw/zinc/94/07/00/671940700.db2.gz SPCZGTVFWYMSNF-UHFFFAOYSA-N -1 1 357.461 2.214 20 0 FEADMM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1F)c1ccc(F)c(F)c1F ZINC000121053610 671941826 /nfs/dbraw/zinc/94/18/26/671941826.db2.gz CHBGZCVESVTVKA-JTQLQIEISA-N -1 1 367.295 2.394 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CCc1ccc(Cl)cc1 ZINC000121342771 671947096 /nfs/dbraw/zinc/94/70/96/671947096.db2.gz MGJDFHHFRXEILJ-UHFFFAOYSA-N -1 1 360.801 2.098 20 0 FEADMM CC(C)CCn1cc(C(=O)Nc2nc(Br)ccc2[O-])nn1 ZINC000121499314 671950700 /nfs/dbraw/zinc/95/07/00/671950700.db2.gz BKQBSWQSWMYREL-UHFFFAOYSA-N -1 1 354.208 2.440 20 0 FEADMM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)o1 ZINC000121913430 671959785 /nfs/dbraw/zinc/95/97/85/671959785.db2.gz BOHKRULVPFEFPT-OAHLLOKOSA-N -1 1 363.357 2.500 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)c1Cl ZINC000123322576 671978196 /nfs/dbraw/zinc/97/81/96/671978196.db2.gz ITZQRJUQFNORRO-UHFFFAOYSA-N -1 1 356.810 2.215 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCCC2)c(F)c1 ZINC000125115560 672006905 /nfs/dbraw/zinc/00/69/05/672006905.db2.gz ZAWRTEVLTAEPIA-INIZCTEOSA-N -1 1 356.463 2.450 20 0 FEADMM O=S(=O)([N-]CCCc1nccs1)c1ccc(Br)o1 ZINC000583053583 672059058 /nfs/dbraw/zinc/05/90/58/672059058.db2.gz JSHCLZHIESMXQC-UHFFFAOYSA-N -1 1 351.247 2.410 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000583354544 672086746 /nfs/dbraw/zinc/08/67/46/672086746.db2.gz XGVIMRSJRWLBQG-UHFFFAOYSA-N -1 1 365.333 2.255 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c1 ZINC000132563207 672099249 /nfs/dbraw/zinc/09/92/49/672099249.db2.gz HOHNZBMVQLEKFU-UHFFFAOYSA-N -1 1 350.371 2.318 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000583487394 672099477 /nfs/dbraw/zinc/09/94/77/672099477.db2.gz WRMDZYBPBBXBRG-UKRRQHHQSA-N -1 1 353.850 2.449 20 0 FEADMM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000132775060 672101830 /nfs/dbraw/zinc/10/18/30/672101830.db2.gz KGCMTNHQENLXIA-AWEZNQCLSA-N -1 1 359.806 2.500 20 0 FEADMM COCc1nc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cs1 ZINC000583804987 672127701 /nfs/dbraw/zinc/12/77/01/672127701.db2.gz LLZRIEANGBOCPG-UHFFFAOYSA-N -1 1 367.374 2.182 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)s1 ZINC000137431357 672142542 /nfs/dbraw/zinc/14/25/42/672142542.db2.gz YEGZKQMTSKZMSL-CQSZACIVSA-N -1 1 353.403 2.203 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(C)ccc3[nH]2)c1 ZINC000583968274 672143170 /nfs/dbraw/zinc/14/31/70/672143170.db2.gz CPGXGTHSJKENNX-UHFFFAOYSA-N -1 1 359.407 2.342 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)S(C)(=O)=O ZINC000583975930 672143846 /nfs/dbraw/zinc/14/38/46/672143846.db2.gz XRNNVEGCVHPDID-QMMMGPOBSA-N -1 1 367.901 2.266 20 0 FEADMM Cc1cnc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)[n-]c1=O ZINC000584302421 672175058 /nfs/dbraw/zinc/17/50/58/672175058.db2.gz DDJNADOAPREXJJ-UHFFFAOYSA-N -1 1 358.423 2.347 20 0 FEADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1sc(N)nc1[O-] ZINC000152972274 672191204 /nfs/dbraw/zinc/19/12/04/672191204.db2.gz NOQZJUZXAYBCKU-VHSXEESVSA-N -1 1 354.501 2.441 20 0 FEADMM CCOC(=O)c1ncc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)[nH]1 ZINC000585730205 672227774 /nfs/dbraw/zinc/22/77/74/672227774.db2.gz DHNVWKHRTURPIL-UHFFFAOYSA-N -1 1 353.400 2.013 20 0 FEADMM O=C([N-]c1n[nH]c(SCCO)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000155287360 672230852 /nfs/dbraw/zinc/23/08/52/672230852.db2.gz DEAFTQLICDHQPF-UHFFFAOYSA-N -1 1 365.802 2.450 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1C(=O)[O-] ZINC000156337462 672245242 /nfs/dbraw/zinc/24/52/42/672245242.db2.gz XRWIORAKXPRYKZ-UHFFFAOYSA-N -1 1 363.317 2.095 20 0 FEADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000160761056 672293337 /nfs/dbraw/zinc/29/33/37/672293337.db2.gz PIWAIUHCGDWIJE-GFCCVEGCSA-N -1 1 361.341 2.124 20 0 FEADMM O=S(=O)([N-]C[C@]1(O)CCc2ccccc21)c1cc(F)c(F)cc1F ZINC000162180335 672302751 /nfs/dbraw/zinc/30/27/51/672302751.db2.gz GYUDEIFNINLYGE-MRXNPFEDSA-N -1 1 357.353 2.216 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCCc3nc(C)sc32)co1 ZINC000166496097 672319458 /nfs/dbraw/zinc/31/94/58/672319458.db2.gz HTTQHXUWHCGBPF-NSHDSACASA-N -1 1 356.425 2.187 20 0 FEADMM O=C(NCCCCCCO)c1cc(I)ccc1[O-] ZINC000182625906 672448738 /nfs/dbraw/zinc/44/87/38/672448738.db2.gz SNGDXIKRERKOMN-UHFFFAOYSA-N -1 1 363.195 2.279 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cc1C ZINC000588630434 672466795 /nfs/dbraw/zinc/46/67/95/672466795.db2.gz PCKPUBRSKOADHG-UHFFFAOYSA-N -1 1 352.387 2.433 20 0 FEADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])o1 ZINC000679114051 672466915 /nfs/dbraw/zinc/46/69/15/672466915.db2.gz PXNALEOEUBQQNH-ZWNOBZJWSA-N -1 1 364.423 2.327 20 0 FEADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])o1 ZINC000679114050 672466940 /nfs/dbraw/zinc/46/69/40/672466940.db2.gz PXNALEOEUBQQNH-MFKMUULPSA-N -1 1 364.423 2.327 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCc2cn3c(n2)CCCC3)c(F)c1 ZINC000588676232 672470945 /nfs/dbraw/zinc/47/09/45/672470945.db2.gz BQILZAGYLZZTTE-UHFFFAOYSA-N -1 1 371.409 2.027 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(C)c(Br)c2)n[nH]1 ZINC000183530545 672471381 /nfs/dbraw/zinc/47/13/81/672471381.db2.gz OERQRICFAHTYFF-UHFFFAOYSA-N -1 1 352.192 2.256 20 0 FEADMM CCOC(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000588902057 672491250 /nfs/dbraw/zinc/49/12/50/672491250.db2.gz DLDALZGPGUJRNJ-LBPRGKRZSA-N -1 1 351.346 2.483 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1F)[N-][C@H](CO)c1c(F)cccc1F ZINC000679470410 672499131 /nfs/dbraw/zinc/49/91/31/672499131.db2.gz MNFGQWJVCQKIGR-CQSZACIVSA-N -1 1 363.332 2.396 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCc2cn(C)c3cc(F)ccc23)c1Cl ZINC000185205410 672522634 /nfs/dbraw/zinc/52/26/34/672522634.db2.gz UVCCLQHPDYUYDN-UHFFFAOYSA-N -1 1 370.837 2.225 20 0 FEADMM C[C@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1(F)F ZINC000680863166 672608654 /nfs/dbraw/zinc/60/86/54/672608654.db2.gz VHRCKZYYORNDHH-ZANVPECISA-N -1 1 360.382 2.016 20 0 FEADMM C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189980038 672628496 /nfs/dbraw/zinc/62/84/96/672628496.db2.gz HWDLHIGPKMIZCI-SECBINFHSA-N -1 1 367.199 2.448 20 0 FEADMM O=C(Cn1cc(-c2ccccc2)nn1)Nc1nc(Br)ccc1[O-] ZINC000189977340 672628682 /nfs/dbraw/zinc/62/86/82/672628682.db2.gz DKJCBKOECASRKC-UHFFFAOYSA-N -1 1 374.198 2.447 20 0 FEADMM CCCc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000681126548 672631541 /nfs/dbraw/zinc/63/15/41/672631541.db2.gz WJSZXPFUSUWPNO-ZDUSSCGKSA-N -1 1 363.784 2.187 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)n1 ZINC000591302349 672667577 /nfs/dbraw/zinc/66/75/77/672667577.db2.gz IDJYMPVUBPDAHC-UHFFFAOYSA-N -1 1 365.411 2.021 20 0 FEADMM O=C(NNc1ccc(Br)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193390968 672722439 /nfs/dbraw/zinc/72/24/39/672722439.db2.gz SHLBLUFCYLKULK-UHFFFAOYSA-N -1 1 353.132 2.215 20 0 FEADMM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592033589 672737544 /nfs/dbraw/zinc/73/75/44/672737544.db2.gz BCBVYLIKIFXIJA-UHFFFAOYSA-N -1 1 354.350 2.111 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000592038288 672739494 /nfs/dbraw/zinc/73/94/94/672739494.db2.gz QSCKVIUSUGSHAG-SNVBAGLBSA-N -1 1 368.377 2.499 20 0 FEADMM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592041899 672740653 /nfs/dbraw/zinc/74/06/53/672740653.db2.gz RJZNEZLJDGFKLE-SECBINFHSA-N -1 1 354.350 2.111 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCC1CCC1)c1ccc(F)c(C)c1 ZINC000592047270 672741781 /nfs/dbraw/zinc/74/17/81/672741781.db2.gz QHQFIUQLWQJOOC-MRXNPFEDSA-N -1 1 373.446 2.084 20 0 FEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)CCN(C)c1ccccc1 ZINC000194064941 672745621 /nfs/dbraw/zinc/74/56/21/672745621.db2.gz UNJZTFRIGIIZLA-AWEZNQCLSA-N -1 1 359.392 2.284 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000592074714 672748191 /nfs/dbraw/zinc/74/81/91/672748191.db2.gz MINDQEBGMNLJMW-JKSUJKDBSA-N -1 1 371.499 2.141 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(COC(C)C)cc2)o1 ZINC000194162517 672750137 /nfs/dbraw/zinc/75/01/37/672750137.db2.gz GSOIRWCBVIQAFH-UHFFFAOYSA-N -1 1 352.412 2.365 20 0 FEADMM CC(C)n1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cn1 ZINC000682531849 672769180 /nfs/dbraw/zinc/76/91/80/672769180.db2.gz WSCVLCCAKXCVIR-ZDUSSCGKSA-N -1 1 363.784 2.289 20 0 FEADMM C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000195140034 672776433 /nfs/dbraw/zinc/77/64/33/672776433.db2.gz ASKLNGMRCUDQJZ-JTQLQIEISA-N -1 1 352.287 2.399 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000612043945 676065880 /nfs/dbraw/zinc/06/58/80/676065880.db2.gz ZVSGRNAYXSNVGA-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM CO[C@@H]1CC[C@H]2OCCN(Cn3[n-]c(-c4ccccn4)nc3=S)[C@H]2C1 ZINC000246596369 672839655 /nfs/dbraw/zinc/83/96/55/672839655.db2.gz MPDCFRASQHDSMY-VHDGCEQUSA-N -1 1 361.471 2.228 20 0 FEADMM CC(C)(C)OC(=O)C1(CNC(=O)c2c([O-])cccc2F)CCOCC1 ZINC000592832580 672843772 /nfs/dbraw/zinc/84/37/72/672843772.db2.gz UAFJVUQCGWVZIQ-UHFFFAOYSA-N -1 1 353.390 2.400 20 0 FEADMM CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000683685297 672866830 /nfs/dbraw/zinc/86/68/30/672866830.db2.gz BXBGCTKFOXVCHZ-GHMZBOCLSA-N -1 1 353.419 2.293 20 0 FEADMM CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000683685297 672866836 /nfs/dbraw/zinc/86/68/36/672866836.db2.gz BXBGCTKFOXVCHZ-GHMZBOCLSA-N -1 1 353.419 2.293 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2)c1C ZINC000593218453 672895365 /nfs/dbraw/zinc/89/53/65/672895365.db2.gz KCKAXTOXXXUMOA-UHFFFAOYSA-N -1 1 365.455 2.430 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)o1 ZINC000612173490 676071945 /nfs/dbraw/zinc/07/19/45/676071945.db2.gz VUXICOUGNOLMCX-SNVBAGLBSA-N -1 1 373.333 2.147 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)cc1C(=O)[O-] ZINC000269995182 672944888 /nfs/dbraw/zinc/94/48/88/672944888.db2.gz KQAIOLBPRUTXBO-UHFFFAOYSA-N -1 1 354.384 2.024 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000282704143 672971105 /nfs/dbraw/zinc/97/11/05/672971105.db2.gz AIGRVNIZVREGBJ-RNCFNFMXSA-N -1 1 361.785 2.164 20 0 FEADMM C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684873685 672973073 /nfs/dbraw/zinc/97/30/73/672973073.db2.gz CQWHUNURCTXBGO-SECBINFHSA-N -1 1 365.373 2.449 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000684876491 672973514 /nfs/dbraw/zinc/97/35/14/672973514.db2.gz WFVRXZKOGXRGJV-CYBMUJFWSA-N -1 1 358.360 2.348 20 0 FEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)on1 ZINC000684908818 672976548 /nfs/dbraw/zinc/97/65/48/672976548.db2.gz SICYULKIKNZIAT-UHFFFAOYSA-N -1 1 357.819 2.029 20 0 FEADMM COc1cncc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)c1 ZINC000685005922 672984682 /nfs/dbraw/zinc/98/46/82/672984682.db2.gz YUYYOYGDERJBRN-UHFFFAOYSA-N -1 1 358.423 2.399 20 0 FEADMM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)n(C)c1C ZINC000593948780 673014220 /nfs/dbraw/zinc/01/42/20/673014220.db2.gz PVIUHRCLHCDCBW-OAHLLOKOSA-N -1 1 352.337 2.314 20 0 FEADMM COc1ccccc1C[C@H]([N-]S(=O)(=O)c1c(C)onc1N)C(C)C ZINC000685501382 673015873 /nfs/dbraw/zinc/01/58/73/673015873.db2.gz FSVGLRMSHLUPKW-ZDUSSCGKSA-N -1 1 353.444 2.119 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(C)C)CN(C)C ZINC000324825679 673047339 /nfs/dbraw/zinc/04/73/39/673047339.db2.gz AVZDRYMGXMMGLL-HNNXBMFYSA-N -1 1 356.488 2.202 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCC2(F)CCC2)c(Br)n1C ZINC000702430777 673058216 /nfs/dbraw/zinc/05/82/16/673058216.db2.gz HIQDHQDERHEDMX-UHFFFAOYSA-N -1 1 354.245 2.052 20 0 FEADMM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)nc1F)OC ZINC000859176558 683051374 /nfs/dbraw/zinc/05/13/74/683051374.db2.gz QGCZQDWISYBQCN-NSHDSACASA-N -1 1 355.229 2.077 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)c1Cl ZINC000716308201 673075205 /nfs/dbraw/zinc/07/52/05/673075205.db2.gz KNXLRKJMYHVBPH-UHFFFAOYSA-N -1 1 355.847 2.100 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)O2)c1F ZINC000594464541 673077280 /nfs/dbraw/zinc/07/72/80/673077280.db2.gz PXVNOCQTKGRGIC-PSASIEDQSA-N -1 1 365.810 2.112 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CSC[C@@H]2C)c1F ZINC000594467278 673078427 /nfs/dbraw/zinc/07/84/27/673078427.db2.gz UDKIMZYIXOSZPQ-XVKPBYJWSA-N -1 1 367.851 2.296 20 0 FEADMM O=C(c1ncsc1Nc1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612817679 676099608 /nfs/dbraw/zinc/09/96/08/676099608.db2.gz OIPNMRMVAUNHKW-LLVKDONJSA-N -1 1 355.427 2.420 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)cc1F ZINC000594696752 673118003 /nfs/dbraw/zinc/11/80/03/673118003.db2.gz LZBPKFRSSYRCLN-INIZCTEOSA-N -1 1 373.446 2.488 20 0 FEADMM CCc1ccccc1Cc1noc(C[N-]S(=O)(=O)CCOC(C)C)n1 ZINC000350906246 673131385 /nfs/dbraw/zinc/13/13/85/673131385.db2.gz HPIJUMAWBCNSHR-UHFFFAOYSA-N -1 1 367.471 2.067 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000594820486 673152298 /nfs/dbraw/zinc/15/22/98/673152298.db2.gz AAUYOGGHBJSOFX-AWEZNQCLSA-N -1 1 357.472 2.414 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](c1ccccc1F)C(C)C ZINC000594830018 673154716 /nfs/dbraw/zinc/15/47/16/673154716.db2.gz CTZGLLUKBJVOGW-AWEZNQCLSA-N -1 1 369.418 2.401 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)c1 ZINC000727357310 673167498 /nfs/dbraw/zinc/16/74/98/673167498.db2.gz PUBNKFNUSNAIPH-UHFFFAOYSA-N -1 1 362.407 2.448 20 0 FEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000594865725 673171230 /nfs/dbraw/zinc/17/12/30/673171230.db2.gz MBBSXEGVLQVDED-ZDUSSCGKSA-N -1 1 355.790 2.190 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3F)cn21 ZINC000416408951 673186792 /nfs/dbraw/zinc/18/67/92/673186792.db2.gz SSYZRXYQHJRZSF-SECBINFHSA-N -1 1 353.375 2.419 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c(O)c1 ZINC000421161895 673197966 /nfs/dbraw/zinc/19/79/66/673197966.db2.gz YHOXTFZWEDYOJW-OAHLLOKOSA-N -1 1 351.424 2.400 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)cc1C ZINC000595299908 673218963 /nfs/dbraw/zinc/21/89/63/673218963.db2.gz GFFWYNJCLXINLS-NSHDSACASA-N -1 1 372.468 2.017 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)cc1C(=O)[O-] ZINC000438817653 673219228 /nfs/dbraw/zinc/21/92/28/673219228.db2.gz ZLKVUKRVIWZXLN-UHFFFAOYSA-N -1 1 360.395 2.397 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)cc1C ZINC000595315407 673222360 /nfs/dbraw/zinc/22/23/60/673222360.db2.gz NHORMVOFOVPJLP-LBPRGKRZSA-N -1 1 354.428 2.013 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)cc1C ZINC000595319183 673223401 /nfs/dbraw/zinc/22/34/01/673223401.db2.gz XVYKOQPFLJOUIG-UHFFFAOYSA-N -1 1 353.371 2.481 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)c2c(C)noc2C)cc1C ZINC000595322733 673224042 /nfs/dbraw/zinc/22/40/42/673224042.db2.gz OEOBWCYZMYJNEE-SECBINFHSA-N -1 1 356.400 2.061 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)cc1C ZINC000595323502 673224375 /nfs/dbraw/zinc/22/43/75/673224375.db2.gz YXWKUZRUUGWZNZ-JTQLQIEISA-N -1 1 373.333 2.065 20 0 FEADMM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595333581 673226759 /nfs/dbraw/zinc/22/67/59/673226759.db2.gz KQNZCBHXNFGFDZ-VIFPVBQESA-N -1 1 373.349 2.010 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2nc(CN(C)C)cs2)c1 ZINC000457293085 673247973 /nfs/dbraw/zinc/24/79/73/673247973.db2.gz PGFVBUVXXVGQRO-UHFFFAOYSA-N -1 1 368.484 2.137 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000462709497 673277946 /nfs/dbraw/zinc/27/79/46/673277946.db2.gz ULPYRZLORAUCRE-NSHDSACASA-N -1 1 373.352 2.339 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)COc2ccc(C)cc2)o1 ZINC000730810636 673291753 /nfs/dbraw/zinc/29/17/53/673291753.db2.gz DTOCYRQTBLTZSK-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM O=C(Cc1cccc(OC(F)F)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507922935 673341460 /nfs/dbraw/zinc/34/14/60/673341460.db2.gz WEBHKVUMMMTTTF-LLVKDONJSA-N -1 1 353.325 2.325 20 0 FEADMM C[C@H]1CCCN1S(=O)(=O)[N-]c1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000596029241 673350685 /nfs/dbraw/zinc/35/06/85/673350685.db2.gz WCGXICXNVUNEJZ-LBPRGKRZSA-N -1 1 372.491 2.101 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2C)cc1C(=O)[O-] ZINC000533145718 673354247 /nfs/dbraw/zinc/35/42/47/673354247.db2.gz JJRLUBISZNCZPY-UHFFFAOYSA-N -1 1 365.411 2.274 20 0 FEADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000732288623 673361920 /nfs/dbraw/zinc/36/19/20/673361920.db2.gz SMQRPCYNUQJCMK-SECBINFHSA-N -1 1 352.847 2.483 20 0 FEADMM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000732306605 673362572 /nfs/dbraw/zinc/36/25/72/673362572.db2.gz HHKCRDRAOYTOFY-UHFFFAOYSA-N -1 1 370.814 2.480 20 0 FEADMM C[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000613556408 676133833 /nfs/dbraw/zinc/13/38/33/676133833.db2.gz VMNCTUFCERSQCP-DVJZZOLTSA-N -1 1 367.812 2.403 20 0 FEADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732836371 673386121 /nfs/dbraw/zinc/38/61/21/673386121.db2.gz VWEOOKUQCRWFOY-SECBINFHSA-N -1 1 350.724 2.281 20 0 FEADMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(F)(F)F ZINC000537563854 673394420 /nfs/dbraw/zinc/39/44/20/673394420.db2.gz NBUWVHLVFMEPAM-ZYHUDNBSSA-N -1 1 369.409 2.490 20 0 FEADMM O=S(=O)([N-]c1ccccc1-n1ccnn1)c1ccc2c(c1)CCCO2 ZINC000537837722 673410594 /nfs/dbraw/zinc/41/05/94/673410594.db2.gz WFWVDEQGYACJRG-UHFFFAOYSA-N -1 1 356.407 2.393 20 0 FEADMM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537850468 673411286 /nfs/dbraw/zinc/41/12/86/673411286.db2.gz OMQCFPZZHOLWNG-GFCCVEGCSA-N -1 1 364.423 2.083 20 0 FEADMM CCOc1nnc(COC(=O)c2ccccc2[N-]S(=O)(=O)CC)s1 ZINC000733471237 673419664 /nfs/dbraw/zinc/41/96/64/673419664.db2.gz NTXJXXIQRJYFGF-UHFFFAOYSA-N -1 1 371.440 2.055 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(CC(C)(C)C)cs2)o1 ZINC000538478792 673442372 /nfs/dbraw/zinc/44/23/72/673442372.db2.gz NWSDUDNQQHUYQL-UHFFFAOYSA-N -1 1 357.457 2.485 20 0 FEADMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000735269969 673488643 /nfs/dbraw/zinc/48/86/43/673488643.db2.gz TVRDGFRHPVBJOG-UHFFFAOYSA-N -1 1 350.396 2.352 20 0 FEADMM NC(=O)c1ccc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000735522768 673495754 /nfs/dbraw/zinc/49/57/54/673495754.db2.gz YFZSVPVQOOOZAH-UHFFFAOYSA-N -1 1 359.813 2.107 20 0 FEADMM COc1ccc(NC(=O)NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000539616391 673498619 /nfs/dbraw/zinc/49/86/19/673498619.db2.gz IILBXNMALZDCPF-UHFFFAOYSA-N -1 1 362.411 2.248 20 0 FEADMM Cc1nc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)[n-]c(=O)c1C ZINC000539618894 673498675 /nfs/dbraw/zinc/49/86/75/673498675.db2.gz WBOZXJINBGYROZ-LLVKDONJSA-N -1 1 358.423 2.265 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N(CCO)C1CCSCC1 ZINC000539925295 673513739 /nfs/dbraw/zinc/51/37/39/673513739.db2.gz XLYSVHXSFIBDFI-UHFFFAOYSA-N -1 1 360.273 2.485 20 0 FEADMM C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cccc(Cl)c1Cl ZINC000542773080 673604365 /nfs/dbraw/zinc/60/43/65/673604365.db2.gz PJFKNNKPLRJZLF-ZETCQYMHSA-N -1 1 352.181 2.215 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)c(F)cc1F ZINC000739385818 673631517 /nfs/dbraw/zinc/63/15/17/673631517.db2.gz XMKDETZOYQYFLW-UHFFFAOYSA-N -1 1 367.333 2.200 20 0 FEADMM O=C([O-])CCCc1nnc(NC(=O)c2cc(-c3ccncc3)on2)s1 ZINC000739711638 673634888 /nfs/dbraw/zinc/63/48/88/673634888.db2.gz LYPMRAGNGWMBHJ-UHFFFAOYSA-N -1 1 359.367 2.248 20 0 FEADMM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OC ZINC000599320330 673658441 /nfs/dbraw/zinc/65/84/41/673658441.db2.gz QNRRRBPMENJNNU-CABZTGNLSA-N -1 1 365.398 2.091 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cn1 ZINC000543957785 673679682 /nfs/dbraw/zinc/67/96/82/673679682.db2.gz KLFKXDIPTZJNGB-UHFFFAOYSA-N -1 1 370.402 2.364 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)CC4)cc21 ZINC000741654866 673693254 /nfs/dbraw/zinc/69/32/54/673693254.db2.gz SAZRYFKMUUSURY-UHFFFAOYSA-N -1 1 358.375 2.043 20 0 FEADMM CC[C@@H](CSC)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000599745572 673712619 /nfs/dbraw/zinc/71/26/19/673712619.db2.gz UQSZMNFAPKJSQZ-JTQLQIEISA-N -1 1 350.440 2.417 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc2nccnc21 ZINC000544538248 673716898 /nfs/dbraw/zinc/71/68/98/673716898.db2.gz MNYWRUWVLGZAHA-UHFFFAOYSA-N -1 1 360.370 2.393 20 0 FEADMM Cc1c(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cnn1-c1ccccn1 ZINC000546179206 673796006 /nfs/dbraw/zinc/79/60/06/673796006.db2.gz WTBYFAWEVIAKBO-UHFFFAOYSA-N -1 1 360.361 2.339 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744567963 673801452 /nfs/dbraw/zinc/80/14/52/673801452.db2.gz VHUBQDWJGSTSSB-GFCCVEGCSA-N -1 1 370.471 2.298 20 0 FEADMM O=S(=O)([N-]Cc1n[nH]cc1Br)c1c(F)cccc1Cl ZINC000546630473 673807933 /nfs/dbraw/zinc/80/79/33/673807933.db2.gz HNJHHNLUHPLFGT-UHFFFAOYSA-N -1 1 368.615 2.443 20 0 FEADMM CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000546780257 673818331 /nfs/dbraw/zinc/81/83/31/673818331.db2.gz KDMSDXCSZJUWBR-UHFFFAOYSA-N -1 1 366.313 2.156 20 0 FEADMM O=S(=O)([N-]CCn1cnc2ccccc21)c1ccc(Br)o1 ZINC000546798672 673819742 /nfs/dbraw/zinc/81/97/42/673819742.db2.gz DVJSAIGCLBRVQE-UHFFFAOYSA-N -1 1 370.228 2.370 20 0 FEADMM Brc1cc(CNC2(c3nnn[n-]3)CCCC2)cc2c1OCO2 ZINC000547449280 673851704 /nfs/dbraw/zinc/85/17/04/673851704.db2.gz SZJSZXCGAFBWLL-UHFFFAOYSA-N -1 1 366.219 2.250 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000547545270 673860887 /nfs/dbraw/zinc/86/08/87/673860887.db2.gz AMSQOKUYUWMOOE-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])cs1 ZINC000547556735 673863032 /nfs/dbraw/zinc/86/30/32/673863032.db2.gz DAZUDFATOATKCJ-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000614796051 676191650 /nfs/dbraw/zinc/19/16/50/676191650.db2.gz 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ZINC000548254032 673943165 /nfs/dbraw/zinc/94/31/65/673943165.db2.gz VFVZRZRFYGDXJE-ZDUSSCGKSA-N -1 1 370.243 2.422 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)n[nH]1 ZINC000548279652 673946898 /nfs/dbraw/zinc/94/68/98/673946898.db2.gz BUKIMEQWUYBQRZ-UHFFFAOYSA-N -1 1 360.395 2.244 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000548521806 673964807 /nfs/dbraw/zinc/96/48/07/673964807.db2.gz SQOGUUZRCNIWIP-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM CCC(CC)(CCO)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000548955869 674008072 /nfs/dbraw/zinc/00/80/72/674008072.db2.gz RHFCRCCCJWDJJH-UHFFFAOYSA-N -1 1 373.475 2.129 20 0 FEADMM CN(C)[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cc1 ZINC000566468958 675216981 /nfs/dbraw/zinc/21/69/81/675216981.db2.gz BXFSAMHELBWQQB-JSGCOSHPSA-N -1 1 364.833 2.438 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000615221295 676207632 /nfs/dbraw/zinc/20/76/32/676207632.db2.gz KWPAJRGJIWLARN-QMMMGPOBSA-N 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2.234 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1c[nH]nc1C(F)(F)F ZINC000632604921 677004544 /nfs/dbraw/zinc/00/45/44/677004544.db2.gz BZIANUOMCRWWQY-PWSUYJOCSA-N -1 1 361.345 2.237 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H](O)C(F)(F)F ZINC000632676317 677009806 /nfs/dbraw/zinc/00/98/06/677009806.db2.gz IGDJPDZYDTXDLP-CLZZGJSISA-N -1 1 357.297 2.357 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000632765780 677014393 /nfs/dbraw/zinc/01/43/93/677014393.db2.gz KNXIWPVQEFOVFG-UHFFFAOYSA-N -1 1 362.231 2.363 20 0 FEADMM O=C(CCc1nn[n-]n1)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000632770056 677014593 /nfs/dbraw/zinc/01/45/93/677014593.db2.gz KTYVLBKBAAJBEF-UHFFFAOYSA-N -1 1 365.262 2.434 20 0 FEADMM O=C(CCc1nn[n-]n1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000632773540 677014705 /nfs/dbraw/zinc/01/47/05/677014705.db2.gz QHZKARXRDVEUPG-NSHDSACASA-N -1 1 351.691 2.345 20 0 FEADMM COc1ccccc1N1CCC([N-]S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC000830301955 677033848 /nfs/dbraw/zinc/03/38/48/677033848.db2.gz FMLIZPNFRMZCJK-UHFFFAOYSA-N -1 1 370.862 2.019 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000633260784 677039695 /nfs/dbraw/zinc/03/96/95/677039695.db2.gz KCBYNYLIILRUMU-UONOGXRCSA-N -1 1 358.825 2.396 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2Cc3ccccc3S2)C1 ZINC000830834279 677064063 /nfs/dbraw/zinc/06/40/63/677064063.db2.gz XNXXJCBNFBXUMW-IUODEOHRSA-N -1 1 358.385 2.373 20 0 FEADMM COC(C)(C)c1nc(=NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)s[n-]1 ZINC000634148783 677071831 /nfs/dbraw/zinc/07/18/31/677071831.db2.gz DSCMEEZQKMVSQO-CQSZACIVSA-N -1 1 360.483 2.302 20 0 FEADMM CCCCn1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(C)n1 ZINC000634655781 677078936 /nfs/dbraw/zinc/07/89/36/677078936.db2.gz HEBMHJGYPUVFSB-UHFFFAOYSA-N -1 1 360.443 2.373 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1cnn(C2CCCC2)c1 ZINC000634656222 677078969 /nfs/dbraw/zinc/07/89/69/677078969.db2.gz CSAWCLNFIXAVGY-UHFFFAOYSA-N -1 1 358.427 2.380 20 0 FEADMM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1cnn(C2CCCC2)c1 ZINC000634657189 677079069 /nfs/dbraw/zinc/07/90/69/677079069.db2.gz ZKWRUDCUJUQPOG-UHFFFAOYSA-N -1 1 367.393 2.388 20 0 FEADMM Cc1cc(-c2ncccc2[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)cs1 ZINC000634665413 677079805 /nfs/dbraw/zinc/07/98/05/677079805.db2.gz IKHFJXNKCFIIDA-LLVKDONJSA-N -1 1 353.469 2.337 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc(Br)cc2OC)C1 ZINC000635316024 677095246 /nfs/dbraw/zinc/09/52/46/677095246.db2.gz ASZDHLGKNJQDKM-OAHLLOKOSA-N -1 1 358.232 2.381 20 0 FEADMM O=C(CCCc1nn[n-]n1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000635482733 677100267 /nfs/dbraw/zinc/10/02/67/677100267.db2.gz HMHVWOODGDYNFU-UHFFFAOYSA-N -1 1 353.348 2.389 20 0 FEADMM O=C(CCCc1nn[n-]n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000635678281 677104403 /nfs/dbraw/zinc/10/44/03/677104403.db2.gz PAOGBSZJYGLGJD-UHFFFAOYSA-N -1 1 353.348 2.242 20 0 FEADMM CSc1nc(CNC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc(=O)[n-]1 ZINC000640654882 677185198 /nfs/dbraw/zinc/18/51/98/677185198.db2.gz CURMJWPXUNZVGJ-CQSZACIVSA-N -1 1 361.423 2.002 20 0 FEADMM CSc1nc(CNC(=O)[C@H](C)Cn2ncc3ccccc32)cc(=O)[n-]1 ZINC000640655742 677185297 /nfs/dbraw/zinc/18/52/97/677185297.db2.gz RGGBRXLKZPWJSE-LLVKDONJSA-N -1 1 357.439 2.206 20 0 FEADMM COc1cccc(Cl)c1CC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640656115 677185338 /nfs/dbraw/zinc/18/53/38/677185338.db2.gz LURHOFGTBDBYBY-UHFFFAOYSA-N -1 1 353.831 2.425 20 0 FEADMM CSc1nc(CNC(=O)c2ncccc2OCC(F)(F)F)cc(=O)[n-]1 ZINC000640657877 677185447 /nfs/dbraw/zinc/18/54/47/677185447.db2.gz JBYVRKCFOJWWFI-UHFFFAOYSA-N -1 1 374.344 2.170 20 0 FEADMM CCCN(CC)c1ccc(C(=O)NCc2cc(=O)[n-]c(SC)n2)cn1 ZINC000640659579 677185514 /nfs/dbraw/zinc/18/55/14/677185514.db2.gz ZRRIAGHTNQGTQY-UHFFFAOYSA-N -1 1 361.471 2.465 20 0 FEADMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F ZINC000641686502 677213861 /nfs/dbraw/zinc/21/38/61/677213861.db2.gz UODZKLZDXFNMNK-UONOGXRCSA-N -1 1 354.407 2.310 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)o1 ZINC000642254520 677219146 /nfs/dbraw/zinc/21/91/46/677219146.db2.gz CDTBNCXFOKKMPD-UHFFFAOYSA-N -1 1 362.411 2.485 20 0 FEADMM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CCO1 ZINC000867062020 684204367 /nfs/dbraw/zinc/20/43/67/684204367.db2.gz HWBKERXPHKJEDY-VHSXEESVSA-N -1 1 366.281 2.044 20 0 FEADMM CN1CCN(c2ccc(CN=c3nc(C4CCCC4)[n-]s3)cn2)CC1 ZINC000643181780 677223708 /nfs/dbraw/zinc/22/37/08/677223708.db2.gz MNACARFPIFOJIA-UHFFFAOYSA-N -1 1 358.515 2.377 20 0 FEADMM CC(C)(C(=O)NCc1nn[n-]n1)c1csc(-c2c(F)cccc2F)n1 ZINC000645388385 677258621 /nfs/dbraw/zinc/25/86/21/677258621.db2.gz KLTQDHLSEWPCFY-UHFFFAOYSA-N -1 1 364.381 2.195 20 0 FEADMM O=S(=O)([N-]CCN1Cc2ccccc2C1)c1ncccc1C(F)(F)F ZINC000645490022 677261634 /nfs/dbraw/zinc/26/16/34/677261634.db2.gz RNBDOAPBNOVXDC-UHFFFAOYSA-N -1 1 371.384 2.395 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1)C(C)C ZINC000645593176 677265073 /nfs/dbraw/zinc/26/50/73/677265073.db2.gz SDIRUQWHGFUWIH-UKRRQHHQSA-N -1 1 367.471 2.312 20 0 FEADMM CCC1(O)CCC([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645638288 677266832 /nfs/dbraw/zinc/26/68/32/677266832.db2.gz QQVCRIXLQXNABX-UHFFFAOYSA-N -1 1 352.378 2.462 20 0 FEADMM CO[C@@H]1CCC[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000645984790 677276323 /nfs/dbraw/zinc/27/63/23/677276323.db2.gz FIERDQLHAAUHBZ-MISXGVKJSA-N -1 1 367.812 2.403 20 0 FEADMM CCN(CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)CCC(F)(F)F ZINC000646156121 677280201 /nfs/dbraw/zinc/28/02/01/677280201.db2.gz KQFGKCPRDOZTGT-UHFFFAOYSA-N -1 1 353.385 2.157 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C(F)(F)F)o1 ZINC000646284706 677281911 /nfs/dbraw/zinc/28/19/11/677281911.db2.gz BPTBZORRPZEONO-SECBINFHSA-N -1 1 354.350 2.133 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1)C(C)C ZINC000647126500 677295603 /nfs/dbraw/zinc/29/56/03/677295603.db2.gz CGJFAUWILBZEHW-HNNXBMFYSA-N -1 1 351.428 2.262 20 0 FEADMM CC[C@@H](C)n1ncc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)c1C ZINC000647131309 677296045 /nfs/dbraw/zinc/29/60/45/677296045.db2.gz GEDNTGLXFPNPTK-WBMJQRKESA-N -1 1 359.492 2.346 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647372224 677300750 /nfs/dbraw/zinc/30/07/50/677300750.db2.gz HUIZZVHLHGTFGO-UHFFFAOYSA-N -1 1 350.484 2.390 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3n[nH]cc3Br)ccc2O1 ZINC000647906632 677308271 /nfs/dbraw/zinc/30/82/71/677308271.db2.gz CPEBVLNCNFVWPP-SSDOTTSWSA-N -1 1 358.217 2.296 20 0 FEADMM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000649689167 677335359 /nfs/dbraw/zinc/33/53/59/677335359.db2.gz XOMZKJQIMRGLTJ-UHFFFAOYSA-N -1 1 372.834 2.095 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c(Br)o1 ZINC000760571156 680693033 /nfs/dbraw/zinc/69/30/33/680693033.db2.gz FZEINYLXIZJMJL-ZETCQYMHSA-N -1 1 366.233 2.153 20 0 FEADMM CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OC ZINC000760615727 680694950 /nfs/dbraw/zinc/69/49/50/680694950.db2.gz LKTFQUPMXXGNOM-SECBINFHSA-N -1 1 355.243 2.399 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000650361645 677368257 /nfs/dbraw/zinc/36/82/57/677368257.db2.gz YSCULENITBYGDP-UHFFFAOYSA-N -1 1 355.291 2.430 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C2CC2)C2CCOCC2)c(=O)[n-]1 ZINC000650467409 677377072 /nfs/dbraw/zinc/37/70/72/677377072.db2.gz GVJMJLDWRMBZJI-INIZCTEOSA-N -1 1 365.499 2.467 20 0 FEADMM CC(C)(C)c1ncc(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000650791699 677389618 /nfs/dbraw/zinc/38/96/18/677389618.db2.gz NVDZMSZDDRSUPG-GFCCVEGCSA-N -1 1 365.499 2.338 20 0 FEADMM N=c1nc(N2CCN(C(=O)NCc3cccc4ccsc43)CC2)s[n-]1 ZINC000651182664 677411888 /nfs/dbraw/zinc/41/18/88/677411888.db2.gz CKQCWAXIUMHDFL-UHFFFAOYSA-N -1 1 374.495 2.197 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3c2ccc(=O)n3C)c(F)c1 ZINC000651940348 677463478 /nfs/dbraw/zinc/46/34/78/677463478.db2.gz KDKVVLAPVYTFOB-AWEZNQCLSA-N -1 1 368.405 2.328 20 0 FEADMM O=C(N[C@@H](CO)CCF)c1c([O-])cnc2c(Br)cccc21 ZINC000652910559 677505878 /nfs/dbraw/zinc/50/58/78/677505878.db2.gz UIDVNXHCBGYGNX-MRVPVSSYSA-N -1 1 357.179 2.153 20 0 FEADMM C[C@@H]1[C@H](O)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000654163362 677564961 /nfs/dbraw/zinc/56/49/61/677564961.db2.gz NCXYFBSGWWXGKM-CXAGYDPISA-N -1 1 360.435 2.083 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000654343153 677575506 /nfs/dbraw/zinc/57/55/06/677575506.db2.gz FWVRKRBQHHDGHW-AAEUAGOBSA-N -1 1 363.357 2.203 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2C[C@@H](OCC(C)C)C2(C)C)o1 ZINC000761197520 680714582 /nfs/dbraw/zinc/71/45/82/680714582.db2.gz MJXKWAFWNMJSDS-OLZOCXBDSA-N -1 1 359.444 2.184 20 0 FEADMM CCCCO[C@@H]1C[C@H](OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(C)C ZINC000761240266 680716536 /nfs/dbraw/zinc/71/65/36/680716536.db2.gz VTERHPWBXZVZTK-OLZOCXBDSA-N -1 1 359.444 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(C)o2)C(F)(F)F)o1 ZINC000655326585 677636992 /nfs/dbraw/zinc/63/69/92/677636992.db2.gz LLLCWEORSUZIPS-NSHDSACASA-N -1 1 366.317 2.123 20 0 FEADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccccc2)c(OC)c1 ZINC000761244431 680716679 /nfs/dbraw/zinc/71/66/79/680716679.db2.gz VKHQSHSHKDYYSM-UHFFFAOYSA-N -1 1 371.436 2.225 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H](C)COc2ccccc2)o1 ZINC000761285380 680717903 /nfs/dbraw/zinc/71/79/03/680717903.db2.gz XYVMUJKQMPAESD-GFCCVEGCSA-N -1 1 353.396 2.060 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000655865102 677668550 /nfs/dbraw/zinc/66/85/50/677668550.db2.gz DVJPJXSDYTYEHC-HUUCEWRRSA-N -1 1 351.447 2.381 20 0 FEADMM COc1ccc(-c2cc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)on2)cc1 ZINC000656554916 677773795 /nfs/dbraw/zinc/77/37/95/677773795.db2.gz WMGWODPVRGXUIJ-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2ncco2)cc1)[C@@H]1CCOC1 ZINC000656625619 677790941 /nfs/dbraw/zinc/79/09/41/677790941.db2.gz BZWNYYJGSXMDRD-UKRRQHHQSA-N -1 1 352.412 2.135 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1c(F)cccc1N1CCCC1)[C@@H]1CCOC1 ZINC000656727532 677818323 /nfs/dbraw/zinc/81/83/23/677818323.db2.gz NCEPPRCFANGROC-CZUORRHYSA-N -1 1 372.462 2.219 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1c(F)cccc1N1CCCC1)[C@@H]1CCOC1 ZINC000656727530 677818395 /nfs/dbraw/zinc/81/83/95/677818395.db2.gz NCEPPRCFANGROC-CJNGLKHVSA-N -1 1 372.462 2.219 20 0 FEADMM CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1[O-] ZINC000656881013 677846926 /nfs/dbraw/zinc/84/69/26/677846926.db2.gz RQMBKFAYQKZYDE-UHFFFAOYSA-N -1 1 352.431 2.284 20 0 FEADMM C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656920382 677868025 /nfs/dbraw/zinc/86/80/25/677868025.db2.gz HCXHNVLFUKAVOA-YFKPBYRVSA-N -1 1 363.060 2.415 20 0 FEADMM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C1(C)C ZINC000656925541 677870800 /nfs/dbraw/zinc/87/08/00/677870800.db2.gz YZAFGJLIEZBHJF-MFKMUULPSA-N -1 1 363.277 2.326 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2ncccc2Br)CCCC[C@H]1O ZINC000656929951 677872921 /nfs/dbraw/zinc/87/29/21/677872921.db2.gz ZEMKJAGPOUYZEL-DGCLKSJQSA-N -1 1 363.277 2.064 20 0 FEADMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ncccc2Br)o1 ZINC000656994433 677904982 /nfs/dbraw/zinc/90/49/82/677904982.db2.gz HPMUCARSZDGATK-UHFFFAOYSA-N -1 1 360.233 2.181 20 0 FEADMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656996678 677905844 /nfs/dbraw/zinc/90/58/44/677905844.db2.gz XCQLBJPKWXWCNO-CYBMUJFWSA-N -1 1 363.277 2.064 20 0 FEADMM CCOc1cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000762622465 680756116 /nfs/dbraw/zinc/75/61/16/680756116.db2.gz GGHCNNFQNCVNKW-UHFFFAOYSA-N -1 1 363.863 2.340 20 0 FEADMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)on1 ZINC000660010586 678253568 /nfs/dbraw/zinc/25/35/68/678253568.db2.gz OGLRPGWNVDPXMU-UHFFFAOYSA-N -1 1 367.210 2.477 20 0 FEADMM CCCN1CC[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000660025836 678256856 /nfs/dbraw/zinc/25/68/56/678256856.db2.gz BDYPDMRRSAIIIE-LLVKDONJSA-N -1 1 352.378 2.174 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661400244 678478919 /nfs/dbraw/zinc/47/89/19/678478919.db2.gz XNFLAPDRUPGNRJ-NSHDSACASA-N -1 1 363.487 2.411 20 0 FEADMM CC[C@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1cc(F)cc(Br)c1 ZINC000662212973 678591339 /nfs/dbraw/zinc/59/13/39/678591339.db2.gz ZAXPSMJYRAQJRS-STQMWFEESA-N -1 1 373.222 2.314 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 ZINC000663253914 678709293 /nfs/dbraw/zinc/70/92/93/678709293.db2.gz SHNVPSSVITXTBA-UHFFFAOYSA-N -1 1 360.435 2.496 20 0 FEADMM Cc1nc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)[nH]c1C ZINC000665093258 678940814 /nfs/dbraw/zinc/94/08/14/678940814.db2.gz CFHZLAVMDDRQQN-UHFFFAOYSA-N -1 1 365.415 2.413 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccco1 ZINC000665303169 678951338 /nfs/dbraw/zinc/95/13/38/678951338.db2.gz DGIPLVOSYOVDSM-HUUCEWRRSA-N -1 1 351.447 2.463 20 0 FEADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)CCO4)c2C1 ZINC000666379861 679020783 /nfs/dbraw/zinc/02/07/83/679020783.db2.gz KMEFZHPLRMGYOR-UHFFFAOYSA-N -1 1 358.419 2.398 20 0 FEADMM O=C([N-]CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccco2)CC1)C(F)(F)F ZINC000840483039 680826322 /nfs/dbraw/zinc/82/63/22/680826322.db2.gz GPQXTMUALFPWOI-VXGBXAGGSA-N -1 1 359.348 2.236 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccco2)C1)C(F)(F)F ZINC000840484168 680826546 /nfs/dbraw/zinc/82/65/46/680826546.db2.gz NUJGJCPKYQPRSW-QJPTWQEYSA-N -1 1 359.348 2.236 20 0 FEADMM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)s1 ZINC000672428973 679375743 /nfs/dbraw/zinc/37/57/43/679375743.db2.gz ANAFPDIVOCHHBF-KCJUWKMLSA-N -1 1 352.428 2.411 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N2C(=O)NC3(CCC3)C2=O)c1 ZINC000840902603 680851481 /nfs/dbraw/zinc/85/14/81/680851481.db2.gz HEWJVWBGQYZINO-UHFFFAOYSA-N -1 1 355.316 2.152 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)C[C@@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000675369472 679545319 /nfs/dbraw/zinc/54/53/19/679545319.db2.gz YGPYWNJEPTYDIG-RYUDHWBXSA-N -1 1 371.459 2.003 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1 ZINC000675547686 679562290 /nfs/dbraw/zinc/56/22/90/679562290.db2.gz IIMXUNDRENAMRD-UHFFFAOYSA-N -1 1 364.471 2.088 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)COc2c(C)cccc2C)sc1C ZINC000676850143 679644825 /nfs/dbraw/zinc/64/48/25/679644825.db2.gz FVBRAJFPBYRMHC-CQSZACIVSA-N -1 1 370.496 2.095 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(C)(C)O ZINC000676851918 679644925 /nfs/dbraw/zinc/64/49/25/679644925.db2.gz IZJWKRBKDSGOQQ-LURJTMIESA-N -1 1 358.204 2.165 20 0 FEADMM Cc1cccc(CSCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC000830965294 679902277 /nfs/dbraw/zinc/90/22/77/679902277.db2.gz CDCPVAUPWHLJKU-UHFFFAOYSA-N -1 1 359.451 2.113 20 0 FEADMM CCc1cccc2[nH]c(C(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)cc21 ZINC000831117083 679926788 /nfs/dbraw/zinc/92/67/88/679926788.db2.gz JPQDSACMTCBAKS-UHFFFAOYSA-N -1 1 353.344 2.481 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2ccccc2OCC2CC2)C1)C(F)(F)F ZINC000831149931 679934338 /nfs/dbraw/zinc/93/43/38/679934338.db2.gz YTLMCMYIZIWYED-UHFFFAOYSA-N -1 1 356.344 2.226 20 0 FEADMM Cc1cc(C)cc(OCCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831154647 679935901 /nfs/dbraw/zinc/93/59/01/679935901.db2.gz YSPLYRDHNNPDEC-UHFFFAOYSA-N -1 1 358.360 2.209 20 0 FEADMM O=C([N-]CC1CN(C(=O)C2(c3cccc(F)c3)CCC2)C1)C(F)(F)F ZINC000831154674 679936105 /nfs/dbraw/zinc/93/61/05/679936105.db2.gz ZJPRYCNMHOPWBA-UHFFFAOYSA-N -1 1 358.335 2.384 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CCCC2=O)o1 ZINC000748174838 679938172 /nfs/dbraw/zinc/93/81/72/679938172.db2.gz SNVMRSFPFIBORF-NSHDSACASA-N -1 1 357.428 2.273 20 0 FEADMM CC1(/C=C/C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCOCC1 ZINC000831722784 680032104 /nfs/dbraw/zinc/03/21/04/680032104.db2.gz DMMVPORKAMWMFX-GORDUTHDSA-N -1 1 362.392 2.276 20 0 FEADMM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C)c1ccsc1 ZINC000989982285 680041437 /nfs/dbraw/zinc/04/14/37/680041437.db2.gz KGKDDDQETMZYSB-BZPMIXESSA-N -1 1 359.451 2.372 20 0 FEADMM CONC(=O)C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000832019545 680076489 /nfs/dbraw/zinc/07/64/89/680076489.db2.gz VHPSWPAWIOJDIP-UHFFFAOYSA-N -1 1 363.801 2.124 20 0 FEADMM COC(=O)[C@H](Cc1cncs1)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000832691486 680166060 /nfs/dbraw/zinc/16/60/60/680166060.db2.gz AJOSVPURIVSWIG-NSHDSACASA-N -1 1 374.340 2.382 20 0 FEADMM O=S(=O)([N-][C@@H](CCO)C1CC1)c1cc(Br)c(F)cc1F ZINC000751440557 680175786 /nfs/dbraw/zinc/17/57/86/680175786.db2.gz HJEYJYYHMPJWNG-NSHDSACASA-N -1 1 370.215 2.167 20 0 FEADMM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C)o1 ZINC000751451902 680177796 /nfs/dbraw/zinc/17/77/96/680177796.db2.gz YARBYRRVBACRBR-OAHLLOKOSA-N -1 1 363.357 2.500 20 0 FEADMM Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCCCC2)cc1C(=O)[O-] ZINC000832955952 680184992 /nfs/dbraw/zinc/18/49/92/680184992.db2.gz BCBRRCLMBXDHFL-UHFFFAOYSA-N -1 1 354.472 2.236 20 0 FEADMM Cc1csc(C(=O)N2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](C)C2)c1 ZINC000993928782 680198792 /nfs/dbraw/zinc/19/87/92/680198792.db2.gz IWNBFSOLTPHZSB-CHWSQXEVSA-N -1 1 359.451 2.295 20 0 FEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)c1ccc(Cl)[nH]1 ZINC000981202708 680220773 /nfs/dbraw/zinc/22/07/73/680220773.db2.gz LJJAYLGISHNNRK-WDEREUQCSA-N -1 1 362.817 2.097 20 0 FEADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000752398107 680239270 /nfs/dbraw/zinc/23/92/70/680239270.db2.gz BUZSZCHSJRORKP-AWEZNQCLSA-N -1 1 362.451 2.288 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(C)(C)SC)c2)n1 ZINC000834713256 680259941 /nfs/dbraw/zinc/25/99/41/680259941.db2.gz JKNOAGHXMMFNBI-UHFFFAOYSA-N -1 1 362.455 2.406 20 0 FEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccc(Cl)[nH]1 ZINC000982085549 680267402 /nfs/dbraw/zinc/26/74/02/680267402.db2.gz PCTXQXQCODIGDP-WDEREUQCSA-N -1 1 362.817 2.097 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](O)Cc1cccc(Cl)c1 ZINC000834802842 680270189 /nfs/dbraw/zinc/27/01/89/680270189.db2.gz ZCNKWEJISALRJV-GFCCVEGCSA-N -1 1 367.858 2.199 20 0 FEADMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834824970 680273537 /nfs/dbraw/zinc/27/35/37/680273537.db2.gz DNTBWRXDDLDULL-CQSZACIVSA-N -1 1 370.833 2.298 20 0 FEADMM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833566 680275164 /nfs/dbraw/zinc/27/51/64/680275164.db2.gz DAVXGTCYJZCRNR-MRVPVSSYSA-N -1 1 353.835 2.164 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1Cl ZINC000753769148 680313361 /nfs/dbraw/zinc/31/33/61/680313361.db2.gz ISJMZQUVLGMURH-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])cs1 ZINC000998401324 680382656 /nfs/dbraw/zinc/38/26/56/680382656.db2.gz LPFSQSVTIMXKQS-RDBSUJKOSA-N -1 1 357.435 2.333 20 0 FEADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])s1 ZINC001001102427 680449958 /nfs/dbraw/zinc/44/99/58/680449958.db2.gz CLVHJIGHJQYQTK-UPJWGTAASA-N -1 1 357.435 2.333 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Br)cc2)co1 ZINC000756404125 680476754 /nfs/dbraw/zinc/47/67/54/680476754.db2.gz KFDFXRDIIHGITG-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccc(NC(C)=O)c2)co1 ZINC000756531020 680483587 /nfs/dbraw/zinc/48/35/87/680483587.db2.gz VZDJZQRELSVJJP-SNVBAGLBSA-N -1 1 366.395 2.064 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@H](CO)C2CC2)c1 ZINC000836737988 680505497 /nfs/dbraw/zinc/50/54/97/680505497.db2.gz DPGAITDZTUSXOV-CYBMUJFWSA-N -1 1 359.348 2.066 20 0 FEADMM CC[C@@H](NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)[C@H](C)O ZINC000836744594 680506524 /nfs/dbraw/zinc/50/65/24/680506524.db2.gz GBRCMKMLQZOKHF-GXFFZTMASA-N -1 1 361.364 2.454 20 0 FEADMM CC(C)Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001041896573 680515586 /nfs/dbraw/zinc/51/55/86/680515586.db2.gz HLRZKRUPJVQNJT-VXGBXAGGSA-N -1 1 361.471 2.092 20 0 FEADMM O=S(=O)([N-]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)o1 ZINC000759068025 680624553 /nfs/dbraw/zinc/62/45/53/680624553.db2.gz DJDPWCDHJALDCN-VIFPVBQESA-N -1 1 366.233 2.006 20 0 FEADMM CSc1ccnc(N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])n1 ZINC001045439081 680629604 /nfs/dbraw/zinc/62/96/04/680629604.db2.gz WLQGLKMGKYQBPQ-VXGBXAGGSA-N -1 1 359.455 2.452 20 0 FEADMM CCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912485802 685382635 /nfs/dbraw/zinc/38/26/35/685382635.db2.gz ISBYILCFAYOCOE-LLVKDONJSA-N -1 1 373.404 2.117 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(OC)c1)c1ccc(C)o1 ZINC000767799789 680927062 /nfs/dbraw/zinc/92/70/62/680927062.db2.gz CDKWWCHXJYBJEN-LLVKDONJSA-N -1 1 360.819 2.311 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c1 ZINC000842824615 680969736 /nfs/dbraw/zinc/96/97/36/680969736.db2.gz QSYBUMGNGKGQKL-UHFFFAOYSA-N -1 1 367.427 2.438 20 0 FEADMM Cc1cccc(CCOC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000842838481 680970744 /nfs/dbraw/zinc/97/07/44/680970744.db2.gz KPYYKCBJZRZFIB-UHFFFAOYSA-N -1 1 366.439 2.459 20 0 FEADMM Cc1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c2ccccc2n1 ZINC000843016560 680982200 /nfs/dbraw/zinc/98/22/00/680982200.db2.gz UOQOTNWEIVBELS-UHFFFAOYSA-N -1 1 361.467 2.087 20 0 FEADMM C[C@@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018000 680982610 /nfs/dbraw/zinc/98/26/10/680982610.db2.gz KSAUOGPFHFTFLV-AWEZNQCLSA-N -1 1 370.540 2.345 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-]c2cccc(O)c2)c(=O)[nH]c1=O ZINC000769620360 680989185 /nfs/dbraw/zinc/98/91/85/680989185.db2.gz ALGJONFDMWKFQD-UHFFFAOYSA-N -1 1 367.427 2.036 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CC)c(=O)[nH]c1=O ZINC000769664589 680990991 /nfs/dbraw/zinc/99/09/91/680990991.db2.gz QDVFZEHSLDRCAV-KGLIPLIRSA-N -1 1 371.503 2.386 20 0 FEADMM CC[C@@H](NC(=S)NNc1nc(=O)c2cnn(C)c2[n-]1)c1cccs1 ZINC000769796011 680995373 /nfs/dbraw/zinc/99/53/73/680995373.db2.gz VYQKAIDXUGNLCW-SECBINFHSA-N -1 1 363.472 2.073 20 0 FEADMM CC[C@H](NC(=S)NNc1nc(=O)c2cnn(C)c2[n-]1)c1cccs1 ZINC000769796012 680995470 /nfs/dbraw/zinc/99/54/70/680995470.db2.gz VYQKAIDXUGNLCW-VIFPVBQESA-N -1 1 363.472 2.073 20 0 FEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1 ZINC000912527727 685392644 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COC(=O)N[C@@H](CC(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000771575167 681060366 /nfs/dbraw/zinc/06/03/66/681060366.db2.gz XZSGSOBRONGMAJ-QMMMGPOBSA-N -1 1 360.208 2.259 20 0 FEADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)cc1 ZINC000771607222 681062557 /nfs/dbraw/zinc/06/25/57/681062557.db2.gz IJHXWFNUVQLMFC-HJWRWDBZSA-N -1 1 370.427 2.194 20 0 FEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000844648610 681070857 /nfs/dbraw/zinc/07/08/57/681070857.db2.gz XHRLDJABZPBJNW-OAHLLOKOSA-N -1 1 357.428 2.321 20 0 FEADMM C[C@H](CSc1ccc(F)cc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773149532 681127741 /nfs/dbraw/zinc/12/77/41/681127741.db2.gz FPFQHFMAMTWFEW-ZWNOBZJWSA-N -1 1 367.475 2.384 20 0 FEADMM O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157987 681127871 /nfs/dbraw/zinc/12/78/71/681127871.db2.gz GHHVILLCLDRTQL-ZDUSSCGKSA-N -1 1 362.846 2.194 20 0 FEADMM COc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1NC(C)=O ZINC000773754921 681154612 /nfs/dbraw/zinc/15/46/12/681154612.db2.gz 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XCXBZVGZWTXPTH-UHFFFAOYSA-N -1 1 357.432 2.452 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2c3c(nn2C)CCSC3)[n-]c1=O ZINC000901492317 690651693 /nfs/dbraw/zinc/65/16/93/690651693.db2.gz UULJWFCTHNBJQA-YFHOEESVSA-N -1 1 360.439 2.442 20 0 FEADMM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1C ZINC000901598674 690663374 /nfs/dbraw/zinc/66/33/74/690663374.db2.gz OVCOJGUDZCIUMV-UHFFFAOYSA-N -1 1 354.453 2.338 20 0 FEADMM C[C@H](NCc1cnc(-c2ccccc2F)s1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000901745958 690688028 /nfs/dbraw/zinc/68/80/28/690688028.db2.gz SNUDDRHIXOLVMQ-UWVGGRQHSA-N -1 1 351.403 2.017 20 0 FEADMM CN(C)[C@H](CNC(=O)C1(C(=O)[O-])CCSCC1)c1cccc(F)c1 ZINC000901795332 690694953 /nfs/dbraw/zinc/69/49/53/690694953.db2.gz GYGPNCLEUMHJLK-CQSZACIVSA-N -1 1 354.447 2.143 20 0 FEADMM COc1ccc([C@@H](NCc2n[nH]cc2C)C(=O)[O-])cc1Br ZINC000901831601 690699148 /nfs/dbraw/zinc/69/91/48/690699148.db2.gz ZJTTXFKPASIXRA-CYBMUJFWSA-N -1 1 354.204 2.405 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2c(C)csc2C)cc1 ZINC000901887360 690707620 /nfs/dbraw/zinc/70/76/20/690707620.db2.gz LJMGCOGLXMRWTM-UHFFFAOYSA-N -1 1 354.453 2.291 20 0 FEADMM COc1ccc(CN2CC[C@@H](NCc3csc(C(=O)[O-])c3)C2=O)cc1 ZINC000902279923 690753927 /nfs/dbraw/zinc/75/39/27/690753927.db2.gz CJWZGLOYYUPXFY-OAHLLOKOSA-N -1 1 360.435 2.346 20 0 FEADMM O=C([O-])c1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1Br ZINC000902444717 690766062 /nfs/dbraw/zinc/76/60/62/690766062.db2.gz JQTTYEZMABPASN-LBPRGKRZSA-N -1 1 365.231 2.261 20 0 FEADMM O=C([N-]Cc1c[nH]nn1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902888697 690817599 /nfs/dbraw/zinc/81/75/99/690817599.db2.gz UHTZRLGVOQLREQ-UHFFFAOYSA-N -1 1 355.654 2.280 20 0 FEADMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1nc2ccccc2c(=O)[n-]1 ZINC000902970752 690825082 /nfs/dbraw/zinc/82/50/82/690825082.db2.gz WANCVLBEKPMJEF-CABZTGNLSA-N -1 1 355.316 2.153 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccnc(Br)c1 ZINC000903138438 690850290 /nfs/dbraw/zinc/85/02/90/690850290.db2.gz NKCXVYLMKNXOMH-UHFFFAOYSA-N -1 1 356.267 2.009 20 0 FEADMM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1Cl ZINC000903164370 690858627 /nfs/dbraw/zinc/85/86/27/690858627.db2.gz MPSZRQVNNPMXGS-UHFFFAOYSA-N -1 1 368.846 2.310 20 0 FEADMM Cc1nn(C)c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1Cl ZINC000903165469 690859211 /nfs/dbraw/zinc/85/92/11/690859211.db2.gz UISVBJSLRQZWIO-UHFFFAOYSA-N -1 1 372.809 2.207 20 0 FEADMM COC(=O)C1CC2(C1)CN(Cc1c(F)ccc(C)c1F)C[C@H]2C(=O)[O-] ZINC000903416577 690891736 /nfs/dbraw/zinc/89/17/36/690891736.db2.gz QJVGRDFBTYSSFZ-HLZQHVJHSA-N -1 1 353.365 2.359 20 0 FEADMM COc1ccc(CN2CC[C@](O)(C(=O)[O-])C2)cc1SC(F)(F)F ZINC000903624232 690941864 /nfs/dbraw/zinc/94/18/64/690941864.db2.gz XQAFSQGTUWIYFU-CYBMUJFWSA-N -1 1 351.346 2.329 20 0 FEADMM COC(=O)C1CC2(C1)C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]2C(=O)[O-] ZINC000903693810 690963280 /nfs/dbraw/zinc/96/32/80/690963280.db2.gz JJPHCGJBWLAIAT-OFKYTCTHSA-N -1 1 353.802 2.131 20 0 FEADMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]2C(=O)[O-] ZINC000903693810 690963283 /nfs/dbraw/zinc/96/32/83/690963283.db2.gz JJPHCGJBWLAIAT-OFKYTCTHSA-N -1 1 353.802 2.131 20 0 FEADMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]2C(=O)[O-] ZINC000903694785 690963859 /nfs/dbraw/zinc/96/38/59/690963859.db2.gz GLZCCRCODLOPGG-FBWYHRDQSA-N -1 1 371.792 2.271 20 0 FEADMM CS(=O)(=O)c1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)s1 ZINC000904009584 690994213 /nfs/dbraw/zinc/99/42/13/690994213.db2.gz FTXRYRONSHUJSD-INIZCTEOSA-N -1 1 369.439 2.307 20 0 FEADMM COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904194562 691011559 /nfs/dbraw/zinc/01/15/59/691011559.db2.gz CMDHFUNKKPELFW-AWEZNQCLSA-N -1 1 350.415 2.108 20 0 FEADMM COc1ccc([C@@H](NCCS(=O)(=O)Cc2ccccc2)C(=O)[O-])cc1 ZINC000905386055 691112277 /nfs/dbraw/zinc/11/22/77/691112277.db2.gz ZVNIUEXRJWYSCW-QGZVFWFLSA-N -1 1 363.435 2.026 20 0 FEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cccnc1N1CCCC1 ZINC000906060087 691223914 /nfs/dbraw/zinc/22/39/14/691223914.db2.gz YIGUXRDMKFNGEV-JOCHJYFZSA-N -1 1 360.505 2.235 20 0 FEADMM CN(C)c1cncc([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c1 ZINC000906073475 691228066 /nfs/dbraw/zinc/22/80/66/691228066.db2.gz IWKIWPHPLYGWDP-JOCHJYFZSA-N -1 1 360.505 2.235 20 0 FEADMM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc3c(s2)CCC3)C1=O ZINC000906468539 691273661 /nfs/dbraw/zinc/27/36/61/691273661.db2.gz HEZKOLDPLCHFLC-GOSISDBHSA-N -1 1 355.419 2.349 20 0 FEADMM COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3sccc3C)C2=O)cc1 ZINC000906503230 691277948 /nfs/dbraw/zinc/27/79/48/691277948.db2.gz RHNVNWYKYYMBSG-KRWDZBQOSA-N -1 1 359.407 2.177 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000906873871 691333645 /nfs/dbraw/zinc/33/36/45/691333645.db2.gz VBMSYOHZJHYYLN-SWLSCSKDSA-N -1 1 354.472 2.050 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000906934243 691348273 /nfs/dbraw/zinc/34/82/73/691348273.db2.gz HYXOBKGRTQEDKA-DYVFJYSZSA-N -1 1 362.451 2.355 20 0 FEADMM C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000906944065 691350552 /nfs/dbraw/zinc/35/05/52/691350552.db2.gz JXXGUDLASSPTGN-ZDUSSCGKSA-N -1 1 366.483 2.026 20 0 FEADMM CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000906945495 691350848 /nfs/dbraw/zinc/35/08/48/691350848.db2.gz ZUJYODMEIZXPHB-HNNXBMFYSA-N -1 1 368.499 2.128 20 0 FEADMM CCN(c1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1)C(C)C ZINC000907473300 691493390 /nfs/dbraw/zinc/49/33/90/691493390.db2.gz FQQFKHOGLXNITC-OAHLLOKOSA-N -1 1 360.487 2.365 20 0 FEADMM Cc1cc(OCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)ccc1C(C)C ZINC000907474354 691494158 /nfs/dbraw/zinc/49/41/58/691494158.db2.gz HDNYAHKQEFFXEV-OAHLLOKOSA-N -1 1 361.471 2.327 20 0 FEADMM Cc1cccc([C@@H]([N-]S(=O)(=O)[C@@H]2CCOC2)C(=O)OC(C)(C)C)c1 ZINC000907662292 691535550 /nfs/dbraw/zinc/53/55/50/691535550.db2.gz URXNESJSYAEMNW-HUUCEWRRSA-N -1 1 355.456 2.086 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3cc(F)ccc3OC(C)C)CC2)n1 ZINC000907859845 691572149 /nfs/dbraw/zinc/57/21/49/691572149.db2.gz LBQPPGUXPWXTPS-UHFFFAOYSA-N -1 1 355.391 2.272 20 0 FEADMM O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000907957851 691589888 /nfs/dbraw/zinc/58/98/88/691589888.db2.gz QREIRGQFEZJQND-OLZOCXBDSA-N -1 1 358.423 2.043 20 0 FEADMM O=C(CSc1nnnn1C1CC1)Nc1cccc([O-])c1Br ZINC000908715679 691717477 /nfs/dbraw/zinc/71/74/77/691717477.db2.gz WRBSOXQNBYNIOO-UHFFFAOYSA-N -1 1 370.232 2.207 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000908726239 691719207 /nfs/dbraw/zinc/71/92/07/691719207.db2.gz GPBYJJLWGKSVNV-SMDDNHRTSA-N -1 1 352.431 2.275 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000908769587 691726544 /nfs/dbraw/zinc/72/65/44/691726544.db2.gz VHIWSTFAKLYWDK-INIZCTEOSA-N -1 1 365.861 2.467 20 0 FEADMM CC[C@@H](C(=O)[O-])N(C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C1CC1 ZINC000908818929 691735101 /nfs/dbraw/zinc/73/51/01/691735101.db2.gz JKUUWTSADOZHQD-JKSUJKDBSA-N -1 1 351.422 2.466 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000909548655 691832923 /nfs/dbraw/zinc/83/29/23/691832923.db2.gz HRDIKMLMJYEEHT-MISXGVKJSA-N -1 1 354.809 2.248 20 0 FEADMM CN(CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)[C@H]1CCSC1 ZINC000909682319 691845282 /nfs/dbraw/zinc/84/52/82/691845282.db2.gz NHZBDBDQONWCCP-YOEHRIQHSA-N -1 1 354.447 2.069 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000910170977 691896266 /nfs/dbraw/zinc/89/62/66/691896266.db2.gz QBSSRRDILFFVQK-VIFPVBQESA-N -1 1 360.241 2.197 20 0 FEADMM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910242175 691905337 /nfs/dbraw/zinc/90/53/37/691905337.db2.gz QIGKCOTZGJBJPX-IGCXYCKISA-N -1 1 368.861 2.329 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000910251537 691906369 /nfs/dbraw/zinc/90/63/69/691906369.db2.gz KLJGQHULWMRKJV-SNVBAGLBSA-N -1 1 350.362 2.180 20 0 FEADMM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCN(C[C@H]2CCCO2)CC1 ZINC000910277017 691910166 /nfs/dbraw/zinc/91/01/66/691910166.db2.gz PZPMRPZMDVNUTF-LLVKDONJSA-N -1 1 359.348 2.100 20 0 FEADMM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000910380132 691925319 /nfs/dbraw/zinc/92/53/19/691925319.db2.gz UHDHGOSFVZBJES-HNNXBMFYSA-N -1 1 360.435 2.404 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccsc1 ZINC001119636099 939814920 /nfs/dbraw/zinc/81/49/20/939814920.db2.gz YWOFISWUMVTHHS-MRXNPFEDSA-N -1 1 373.478 2.272 20 0 FEADMM O=C(NC[C@H]1CCSC1)c1ccc(I)c([O-])c1 ZINC000229695457 548756785 /nfs/dbraw/zinc/75/67/85/548756785.db2.gz KLLOKTMBUMGENT-MRVPVSSYSA-N -1 1 363.220 2.480 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CCCC(F)(F)C2)cc1 ZINC000800280275 674038203 /nfs/dbraw/zinc/03/82/03/674038203.db2.gz SAFSXAOAUOFQTK-GFCCVEGCSA-N -1 1 355.337 2.320 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000009854131 539508579 /nfs/dbraw/zinc/50/85/79/539508579.db2.gz JXVTZXWYJJWQIM-CQSZACIVSA-N -1 1 360.435 2.348 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000014097498 539594987 /nfs/dbraw/zinc/59/49/87/539594987.db2.gz SQXYTXACSXQXDQ-UHFFFAOYSA-N -1 1 367.448 2.484 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c(C(F)(F)F)n1 ZINC000549815011 674065649 /nfs/dbraw/zinc/06/56/49/674065649.db2.gz SQZKTKDHQXDJGN-ZDUSSCGKSA-N -1 1 369.409 2.049 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(F)c2ncccc12 ZINC000024579122 539734854 /nfs/dbraw/zinc/73/48/54/539734854.db2.gz RFZDCUHNNIUWHC-UHFFFAOYSA-N -1 1 370.369 2.150 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCCOc2ccccc2)c(=O)[n-]1 ZINC000025909288 539772211 /nfs/dbraw/zinc/77/22/11/539772211.db2.gz OFTLIAIBUAZJRB-UHFFFAOYSA-N -1 1 361.467 2.318 20 0 FEADMM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000026549061 539789876 /nfs/dbraw/zinc/78/98/76/539789876.db2.gz RRAMXQGTTZAIOR-UHFFFAOYSA-N -1 1 352.387 2.094 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1OC ZINC000028258934 539829212 /nfs/dbraw/zinc/82/92/12/539829212.db2.gz NMMQUDLZQIJVTA-UHFFFAOYSA-N -1 1 370.814 2.257 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000029345479 539851312 /nfs/dbraw/zinc/85/13/12/539851312.db2.gz LSFUBHNBZGORKX-NSHDSACASA-N -1 1 354.453 2.399 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cn(-c2ccc(F)cc2)nc1C ZINC000030429963 539881640 /nfs/dbraw/zinc/88/16/40/539881640.db2.gz GZSQULYMCLVLTF-UHFFFAOYSA-N -1 1 364.402 2.403 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000030565958 539885750 /nfs/dbraw/zinc/88/57/50/539885750.db2.gz SOBSHXDPBQVRFY-IUCAKERBSA-N -1 1 354.350 2.039 20 0 FEADMM COc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000031520471 539908984 /nfs/dbraw/zinc/90/89/84/539908984.db2.gz DTACWWYJONFKFX-UHFFFAOYSA-N -1 1 366.439 2.295 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000031665154 539915740 /nfs/dbraw/zinc/91/57/40/539915740.db2.gz UHAYZCIHBPJSMH-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000032097001 539929070 /nfs/dbraw/zinc/92/90/70/539929070.db2.gz AAGYGYBIGJSVIK-UHFFFAOYSA-N -1 1 369.240 2.278 20 0 FEADMM COc1ccc(NC(=O)c2ccccc2[O-])cc1OCC(=O)NC1CC1 ZINC000046026233 540237810 /nfs/dbraw/zinc/23/78/10/540237810.db2.gz CKFJTKYJVAJGGR-UHFFFAOYSA-N -1 1 356.378 2.311 20 0 FEADMM CCCC(=O)Nc1ccc(CNC(=O)NN=c2nc(OC)cc[n-]2)cc1 ZINC000046848617 540273110 /nfs/dbraw/zinc/27/31/10/540273110.db2.gz YPZUDLPZYHSENI-UHFFFAOYSA-N -1 1 358.402 2.050 20 0 FEADMM COc1ccccc1S(=O)(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000047214463 540296768 /nfs/dbraw/zinc/29/67/68/540296768.db2.gz NMXMBSJNFPEHST-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM Cc1ccc(N2C[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)c(F)c1 ZINC000047436859 540311101 /nfs/dbraw/zinc/31/11/01/540311101.db2.gz IVDRUVAKFXHGHW-QMMMGPOBSA-N -1 1 371.294 2.263 20 0 FEADMM CCCc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)[nH]c(C)c1C(=O)OC ZINC000051266608 540428376 /nfs/dbraw/zinc/42/83/76/540428376.db2.gz MRTMWLVHGSZPNZ-UHFFFAOYSA-N -1 1 359.308 2.451 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000055594687 540662553 /nfs/dbraw/zinc/66/25/53/540662553.db2.gz FQWLXPYGULCTGO-UHFFFAOYSA-N -1 1 357.334 2.317 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)c1 ZINC000055652041 540668141 /nfs/dbraw/zinc/66/81/41/540668141.db2.gz YLEOXZIRRAACIZ-UHFFFAOYSA-N -1 1 351.380 2.378 20 0 FEADMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000055667555 540669012 /nfs/dbraw/zinc/66/90/12/540669012.db2.gz QASGAMAZLGGPNH-UHFFFAOYSA-N -1 1 372.805 2.002 20 0 FEADMM CCCCOCCCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000056074698 540699798 /nfs/dbraw/zinc/69/97/98/540699798.db2.gz XHNISPJFSWESBU-UHFFFAOYSA-N -1 1 358.442 2.006 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1 ZINC000058496446 540846138 /nfs/dbraw/zinc/84/61/38/540846138.db2.gz IYYPNCCDNKBJKW-UHFFFAOYSA-N -1 1 367.448 2.235 20 0 FEADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000059885297 540865846 /nfs/dbraw/zinc/86/58/46/540865846.db2.gz ZIBNRVNKIRPKPN-UHFFFAOYSA-N -1 1 350.396 2.415 20 0 FEADMM CC1(C)CC[C@@H](CN=c2ccc(C(=O)NCCO)n[n-]2)c2ccccc21 ZINC000539866139 541002261 /nfs/dbraw/zinc/00/22/61/541002261.db2.gz LCRNZXGZOJHACK-AWEZNQCLSA-N -1 1 354.454 2.466 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)c3ccc4nc[nH]c4n3)[n-][nH]2)c(OC)c1 ZINC000539956646 541013691 /nfs/dbraw/zinc/01/36/91/541013691.db2.gz YEUVYZLIECSSAL-UHFFFAOYSA-N -1 1 365.353 2.013 20 0 FEADMM CCc1nnc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000063451539 541169002 /nfs/dbraw/zinc/16/90/02/541169002.db2.gz NZWYUYSLAHKWNJ-UHFFFAOYSA-N -1 1 370.438 2.126 20 0 FEADMM COc1cccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000064334625 541201302 /nfs/dbraw/zinc/20/13/02/541201302.db2.gz MZXMUUQQLCRCEY-UHFFFAOYSA-N -1 1 354.410 2.309 20 0 FEADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000065832514 541264785 /nfs/dbraw/zinc/26/47/85/541264785.db2.gz AGSJHKXGAAOCII-UHFFFAOYSA-N -1 1 359.411 2.250 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nnc(C2CC2)s1 ZINC000065872684 541267808 /nfs/dbraw/zinc/26/78/08/541267808.db2.gz QUPZSQMRMCGTKR-UHFFFAOYSA-N -1 1 352.441 2.429 20 0 FEADMM CCn1c(CNC(=O)CCCN(C)C(=O)OC(C)(C)C)n[n-]c1=S ZINC000066636961 541351552 /nfs/dbraw/zinc/35/15/52/541351552.db2.gz FPYOZSWRBTYAID-UHFFFAOYSA-N -1 1 357.480 2.224 20 0 FEADMM CCOc1ccc2c(c1)C[C@@H](C(=O)NCc1n[n-]c(=S)n1CC)CO2 ZINC000066637090 541351628 /nfs/dbraw/zinc/35/16/28/541351628.db2.gz SYQCSWHKJVUOEO-GFCCVEGCSA-N -1 1 362.455 2.227 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000066637595 541352666 /nfs/dbraw/zinc/35/26/66/541352666.db2.gz ONJUFABSYUECKE-UHFFFAOYSA-N -1 1 359.411 2.162 20 0 FEADMM CC(C)n1c(CNC(=O)c2cn(Cc3ccccc3)nn2)n[n-]c1=S ZINC000066639459 541352743 /nfs/dbraw/zinc/35/27/43/541352743.db2.gz JCCZLZIIMPJBIW-UHFFFAOYSA-N -1 1 357.443 2.091 20 0 FEADMM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067093470 541417071 /nfs/dbraw/zinc/41/70/71/541417071.db2.gz XZQRHNGHMUJUOP-NSHDSACASA-N -1 1 369.491 2.238 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000067093534 541417178 /nfs/dbraw/zinc/41/71/78/541417178.db2.gz HGYVRUIZMBNLNB-UHFFFAOYSA-N -1 1 371.422 2.196 20 0 FEADMM Cc1[nH]nc2ncc(C(=O)N3CCC(c4n[n-]c(=S)n4C)CC3)cc12 ZINC000068428472 541590647 /nfs/dbraw/zinc/59/06/47/541590647.db2.gz CMNHWWGGRLURGN-UHFFFAOYSA-N -1 1 357.443 2.077 20 0 FEADMM CC(C)n1c(CCNC(=O)CCOc2cccc(C=O)c2)n[n-]c1=S ZINC000068448987 541593635 /nfs/dbraw/zinc/59/36/35/541593635.db2.gz LMXJPFPQQUZQDW-UHFFFAOYSA-N -1 1 362.455 2.462 20 0 FEADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000068794643 541629550 /nfs/dbraw/zinc/62/95/50/541629550.db2.gz IWAWJSSAQONJLL-NSHDSACASA-N -1 1 352.412 2.077 20 0 FEADMM C[C@@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000069163343 541664918 /nfs/dbraw/zinc/66/49/18/541664918.db2.gz MFMODIQKRXMIGP-LBPRGKRZSA-N -1 1 351.399 2.052 20 0 FEADMM Cc1csc(N2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])CC2)n1 ZINC000071970057 541778021 /nfs/dbraw/zinc/77/80/21/541778021.db2.gz HAPSQJBZSYYFFM-UHFFFAOYSA-N -1 1 369.450 2.371 20 0 FEADMM Cc1csc(N2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CC2)n1 ZINC000071970057 541778022 /nfs/dbraw/zinc/77/80/22/541778022.db2.gz HAPSQJBZSYYFFM-UHFFFAOYSA-N -1 1 369.450 2.371 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000007054809 204288113 /nfs/dbraw/zinc/28/81/13/204288113.db2.gz PWIOVOXAFYHHGH-UHFFFAOYSA-N -1 1 368.480 2.483 20 0 FEADMM CCCc1nc(=NC(=O)NCc2ccc(F)c(CN(C)C)c2)s[n-]1 ZINC000551053786 674122198 /nfs/dbraw/zinc/12/21/98/674122198.db2.gz WRIYYJGJADBEHF-UHFFFAOYSA-N -1 1 351.451 2.435 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCCO1)c1cc(Br)cnc1Cl ZINC000042822368 205098613 /nfs/dbraw/zinc/09/86/13/205098613.db2.gz HEKRJJNKOYNSAE-VIFPVBQESA-N -1 1 369.668 2.345 20 0 FEADMM O=C(OCc1cc(=O)c(O)co1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361293 674124431 /nfs/dbraw/zinc/12/44/31/674124431.db2.gz GCEVCABSMUHNQE-UHFFFAOYSA-N -1 1 362.725 2.247 20 0 FEADMM O=C(OCC[C@@H]1CCOC1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361260 674124396 /nfs/dbraw/zinc/12/43/96/674124396.db2.gz UXVWXTGGOIEAIS-JTQLQIEISA-N -1 1 350.758 2.341 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1OC ZINC000116408155 206100560 /nfs/dbraw/zinc/10/05/60/206100560.db2.gz RVCCFJUATMGVHX-UHFFFAOYSA-N -1 1 362.411 2.095 20 0 FEADMM CC(C)(O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000075237724 542162648 /nfs/dbraw/zinc/16/26/48/542162648.db2.gz GFCCTLOALVTWOK-UHFFFAOYSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1nc(C)c(CC[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)s1 ZINC000872448437 684951338 /nfs/dbraw/zinc/95/13/38/684951338.db2.gz PMMYBISMESZOJX-FQEVSTJZSA-N -1 1 353.535 2.033 20 0 FEADMM CCOc1ccc(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1Cl ZINC000551324486 674138658 /nfs/dbraw/zinc/13/86/58/674138658.db2.gz INODIUSYPKJXAA-UHFFFAOYSA-N -1 1 372.830 2.170 20 0 FEADMM Cn1c(CCNC(=O)c2ccc(Br)cc2F)n[n-]c1=S ZINC000078502323 542464750 /nfs/dbraw/zinc/46/47/50/542464750.db2.gz POJRXWGRCZJEHK-UHFFFAOYSA-N -1 1 359.224 2.352 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000078980526 542492282 /nfs/dbraw/zinc/49/22/82/542492282.db2.gz INIWBDYHHRTWJF-UHFFFAOYSA-N -1 1 354.815 2.313 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2n1C ZINC000083577607 542699132 /nfs/dbraw/zinc/69/91/32/542699132.db2.gz HIOXWBWHDHDYDM-UHFFFAOYSA-N -1 1 359.407 2.454 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1ccccc1 ZINC000084937003 542723010 /nfs/dbraw/zinc/72/30/10/542723010.db2.gz WAGXJKLKVMBQCN-CYBMUJFWSA-N -1 1 358.419 2.416 20 0 FEADMM Cc1n[nH]c2cc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)ccc12 ZINC000091835961 542827580 /nfs/dbraw/zinc/82/75/80/542827580.db2.gz GBSJORTUVFIJGK-UHFFFAOYSA-N -1 1 350.382 2.005 20 0 FEADMM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000092433865 542863322 /nfs/dbraw/zinc/86/33/22/542863322.db2.gz ZVIFSYRSHFVKQL-INIZCTEOSA-N -1 1 356.397 2.495 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000092527837 542868952 /nfs/dbraw/zinc/86/89/52/542868952.db2.gz JTGSMBMJFRJAPM-CQSZACIVSA-N -1 1 357.414 2.175 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092600513 542873450 /nfs/dbraw/zinc/87/34/50/542873450.db2.gz UFMWHULJUJXREZ-RYUDHWBXSA-N -1 1 353.216 2.038 20 0 FEADMM COc1ccc(COCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000093022859 542903424 /nfs/dbraw/zinc/90/34/24/542903424.db2.gz DAVFVRILIFUXCO-UHFFFAOYSA-N -1 1 357.378 2.469 20 0 FEADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000093923912 542946181 /nfs/dbraw/zinc/94/61/81/542946181.db2.gz MYNVKERRWGXWHS-UHFFFAOYSA-N -1 1 352.387 2.472 20 0 FEADMM Cc1nnc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)[nH]1 ZINC000103253113 543099102 /nfs/dbraw/zinc/09/91/02/543099102.db2.gz AEYOJEJJLAOYEK-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCc1ccccc1Cl ZINC000104012175 543120175 /nfs/dbraw/zinc/12/01/75/543120175.db2.gz UCIVINUOVJDHLY-UHFFFAOYSA-N -1 1 369.812 2.048 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CC[C@H]2CCOC2)n[n-]1 ZINC000551922050 674173381 /nfs/dbraw/zinc/17/33/81/674173381.db2.gz DVBGSXSIIALPAC-QWHCGFSZSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CC[C@H]2CCOC2)[n-]1 ZINC000551922050 674173384 /nfs/dbraw/zinc/17/33/84/674173384.db2.gz DVBGSXSIIALPAC-QWHCGFSZSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CC[C@H]2CCOC2)n1 ZINC000551922050 674173386 /nfs/dbraw/zinc/17/33/86/674173386.db2.gz DVBGSXSIIALPAC-QWHCGFSZSA-N -1 1 352.435 2.002 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000114156343 543504879 /nfs/dbraw/zinc/50/48/79/543504879.db2.gz QQJVQSQHDFTXPE-LBPRGKRZSA-N -1 1 374.828 2.377 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)N(C)C ZINC000115311799 543559496 /nfs/dbraw/zinc/55/94/96/543559496.db2.gz PVLIPLKCTCLOAK-UHFFFAOYSA-N -1 1 370.377 2.476 20 0 FEADMM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)C1=O ZINC000802422357 674181332 /nfs/dbraw/zinc/18/13/32/674181332.db2.gz UCXFIJSPZKKLJD-YGRLFVJLSA-N -1 1 361.295 2.468 20 0 FEADMM Cc1ccc(CCNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000116207471 543604802 /nfs/dbraw/zinc/60/48/02/543604802.db2.gz NLGPVHGGWZLOHW-UHFFFAOYSA-N -1 1 362.433 2.350 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)cc2o1 ZINC000116158815 543601929 /nfs/dbraw/zinc/60/19/29/543601929.db2.gz ONAZKPMCIOVKFT-UHFFFAOYSA-N -1 1 357.391 2.223 20 0 FEADMM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000116409716 543607614 /nfs/dbraw/zinc/60/76/14/543607614.db2.gz XZOKWOYBGKBGAW-CQSZACIVSA-N -1 1 366.396 2.461 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c(C)c1C ZINC000117228383 543624830 /nfs/dbraw/zinc/62/48/30/543624830.db2.gz MIXVMFKDGGYJDO-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000118635786 543654368 /nfs/dbraw/zinc/65/43/68/543654368.db2.gz UDOSBWCZWNWONC-UHFFFAOYSA-N -1 1 366.449 2.317 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OCC(F)F)o1 ZINC000123593306 543771214 /nfs/dbraw/zinc/77/12/14/543771214.db2.gz DFRDPVPINRDBFR-UHFFFAOYSA-N -1 1 360.338 2.084 20 0 FEADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124314741 543813389 /nfs/dbraw/zinc/81/33/89/543813389.db2.gz OJBROKFXLMAJIJ-PWSUYJOCSA-N -1 1 356.434 2.100 20 0 FEADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1-c1ccccc1 ZINC000124503428 543826056 /nfs/dbraw/zinc/82/60/56/543826056.db2.gz ZPVTUTGCDKJXNS-ZDUSSCGKSA-N -1 1 353.430 2.385 20 0 FEADMM O=c1nc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[nH][n-]1 ZINC000124089979 543800160 /nfs/dbraw/zinc/80/01/60/543800160.db2.gz JMQRWNWBIYQGPC-HNNXBMFYSA-N -1 1 352.373 2.118 20 0 FEADMM C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000125713409 543897406 /nfs/dbraw/zinc/89/74/06/543897406.db2.gz JPZCLGQNJLYDJM-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM Cc1cc(C)n(-c2ccc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)cc2)n1 ZINC000127139959 543974713 /nfs/dbraw/zinc/97/47/13/543974713.db2.gz PLRUHFGPYMHRRQ-UHFFFAOYSA-N -1 1 357.439 2.459 20 0 FEADMM C[C@H](O)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000126502561 543939742 /nfs/dbraw/zinc/93/97/42/543939742.db2.gz PDCIMLVCLAQVIK-LBPRGKRZSA-N -1 1 366.414 2.079 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(CC(C)(C)C)n[nH]3)cc12 ZINC000126794226 543957121 /nfs/dbraw/zinc/95/71/21/543957121.db2.gz MSZIEGAGOMJMCX-UHFFFAOYSA-N -1 1 362.459 2.389 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(C)ccc2OC(F)F)o1 ZINC000128740310 544070159 /nfs/dbraw/zinc/07/01/59/544070159.db2.gz ZHNSBQLLCPBCEL-UHFFFAOYSA-N -1 1 374.365 2.028 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000128940597 544081824 /nfs/dbraw/zinc/08/18/24/544081824.db2.gz NMMXFMMMDYJLMT-UHFFFAOYSA-N -1 1 365.802 2.330 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)co1 ZINC000128213335 544039321 /nfs/dbraw/zinc/03/93/21/544039321.db2.gz IISBWMCEHXPMDM-UHFFFAOYSA-N -1 1 374.365 2.392 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)co1 ZINC000129550969 544117906 /nfs/dbraw/zinc/11/79/06/544117906.db2.gz WIABVTUHXBZAKB-UHFFFAOYSA-N -1 1 374.422 2.204 20 0 FEADMM CC(C)c1ccc([C@H](C)CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000130697257 544161495 /nfs/dbraw/zinc/16/14/95/544161495.db2.gz RPALCYWGSYAXBM-LLVKDONJSA-N -1 1 350.444 2.464 20 0 FEADMM CC(C)c1ccc([C@H](C)CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000130697257 544161497 /nfs/dbraw/zinc/16/14/97/544161497.db2.gz RPALCYWGSYAXBM-LLVKDONJSA-N -1 1 350.444 2.464 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2c(C)[n-]c(=O)nc2SC)C12CCC2 ZINC000132527667 544234496 /nfs/dbraw/zinc/23/44/96/544234496.db2.gz HWWBGPOQSOZGMB-NWDGAFQWSA-N -1 1 351.472 2.220 20 0 FEADMM O=C(c1ncccc1[O-])N(CCO)Cc1cc(Br)ccc1F ZINC000133484381 544272244 /nfs/dbraw/zinc/27/22/44/544272244.db2.gz RXXMFBLLIGADAA-UHFFFAOYSA-N -1 1 369.190 2.324 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)nc1 ZINC000135062475 544332680 /nfs/dbraw/zinc/33/26/80/544332680.db2.gz QMAWMXQUMVHKSX-UHFFFAOYSA-N -1 1 353.357 2.246 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000135234519 544339005 /nfs/dbraw/zinc/33/90/05/544339005.db2.gz WTIOJEKNGVIYOS-UHFFFAOYSA-N -1 1 371.212 2.432 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)o1 ZINC000135405155 544345588 /nfs/dbraw/zinc/34/55/88/544345588.db2.gz ZRYZKKONWAHARQ-UHFFFAOYSA-N -1 1 365.367 2.467 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nn[n-]n1 ZINC000136635379 544375761 /nfs/dbraw/zinc/37/57/61/544375761.db2.gz PQQOGALUMRROHC-ZDUSSCGKSA-N -1 1 353.386 2.398 20 0 FEADMM COC[C@H](C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000149347115 544456743 /nfs/dbraw/zinc/45/67/43/544456743.db2.gz QGEJTVCAJWIOAI-CQSZACIVSA-N -1 1 362.451 2.500 20 0 FEADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCN(CC(F)F)CC1 ZINC000148230698 544449581 /nfs/dbraw/zinc/44/95/81/544449581.db2.gz HTZPNIRYPYGUKQ-UHFFFAOYSA-N -1 1 373.454 2.078 20 0 FEADMM COC[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000149101999 544454828 /nfs/dbraw/zinc/45/48/28/544454828.db2.gz HEZRXYJQBJTLQT-AWEZNQCLSA-N -1 1 362.451 2.500 20 0 FEADMM CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1nc(C)cs1 ZINC000150733623 544465891 /nfs/dbraw/zinc/46/58/91/544465891.db2.gz VDRSJHYHKPCQQJ-AWEZNQCLSA-N -1 1 357.457 2.008 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n[n-]1 ZINC000151123686 544508225 /nfs/dbraw/zinc/50/82/25/544508225.db2.gz FAYZSMDXHOSYFT-JTQLQIEISA-N -1 1 370.862 2.014 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)o1 ZINC000151505316 544549754 /nfs/dbraw/zinc/54/97/54/544549754.db2.gz AHTZCUJDYTZFSI-UHFFFAOYSA-N -1 1 353.371 2.215 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)co1 ZINC000152665676 544681528 /nfs/dbraw/zinc/68/15/28/544681528.db2.gz LTBKQGPYHBSFJO-GDBMZVCRSA-N -1 1 362.451 2.329 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)c(F)c1F ZINC000153012383 544722924 /nfs/dbraw/zinc/72/29/24/544722924.db2.gz SAPVXMBODOORFE-YMTOWFKASA-N -1 1 367.414 2.437 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCN(C)CC3)c2)c(C)o1 ZINC000153937041 544843061 /nfs/dbraw/zinc/84/30/61/544843061.db2.gz SFPGCFLUCDOPKF-UHFFFAOYSA-N -1 1 363.483 2.445 20 0 FEADMM COCCS(=O)(=O)[N-]c1cc(Br)ccc1-n1cccn1 ZINC000154442448 544907146 /nfs/dbraw/zinc/90/71/46/544907146.db2.gz VBAOZQFXTFKBNC-UHFFFAOYSA-N -1 1 360.233 2.023 20 0 FEADMM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc2cncn2c1 ZINC000802847608 674202472 /nfs/dbraw/zinc/20/24/72/674202472.db2.gz GJAKWXQSOVWECN-UHFFFAOYSA-N -1 1 353.762 2.246 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnc(CC2CC2)nc1 ZINC000552345954 674203555 /nfs/dbraw/zinc/20/35/55/674203555.db2.gz SJTDJBVTIACFDL-UHFFFAOYSA-N -1 1 360.439 2.443 20 0 FEADMM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000803172204 674226597 /nfs/dbraw/zinc/22/65/97/674226597.db2.gz JMNOKTMNPGFNKE-SNVBAGLBSA-N -1 1 371.821 2.405 20 0 FEADMM CC(C)N(CCS(C)(=O)=O)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182075324 327759838 /nfs/dbraw/zinc/75/98/38/327759838.db2.gz LHSOCKAFRRCWAM-UHFFFAOYSA-N -1 1 353.362 2.306 20 0 FEADMM COc1cccc2c1CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C2 ZINC000182783645 327788750 /nfs/dbraw/zinc/78/87/50/327788750.db2.gz JVMMQMPWGMEFDC-UHFFFAOYSA-N -1 1 373.478 2.326 20 0 FEADMM CC[C@H]1CCCC[C@H]1OCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000183996106 327845646 /nfs/dbraw/zinc/84/56/46/327845646.db2.gz QBKBKEFQUBIATB-GOEBONIOSA-N -1 1 360.458 2.241 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cn1 ZINC000184493366 327870121 /nfs/dbraw/zinc/87/01/21/327870121.db2.gz ROCJHQVBDYYQNA-HSZRJFAPSA-N -1 1 368.480 2.468 20 0 FEADMM O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1c([O-])cccc1Cl ZINC000804384814 674284089 /nfs/dbraw/zinc/28/40/89/674284089.db2.gz BOAPSKADTKPAKS-GFCCVEGCSA-N -1 1 351.834 2.456 20 0 FEADMM C/C=C/C[C@H](CO)NC(=O)c1cc(I)ccc1[O-] ZINC000184504728 327870574 /nfs/dbraw/zinc/87/05/74/327870574.db2.gz QBCSYIHAQJKNPR-VMZHVLLKSA-N -1 1 361.179 2.054 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)[n-]1 ZINC000187589275 328034729 /nfs/dbraw/zinc/03/47/29/328034729.db2.gz AVZCMNNIBRHCRT-JTQLQIEISA-N -1 1 351.403 2.475 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000187589275 328034731 /nfs/dbraw/zinc/03/47/31/328034731.db2.gz AVZCMNNIBRHCRT-JTQLQIEISA-N -1 1 351.403 2.475 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2ccc(CCNC(C)=O)cc2)n1 ZINC000188122141 328067597 /nfs/dbraw/zinc/06/75/97/328067597.db2.gz BNZINDSBKHNOBB-GFCCVEGCSA-N -1 1 373.478 2.374 20 0 FEADMM CCCn1ccnc1CCCN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000190436407 328207613 /nfs/dbraw/zinc/20/76/13/328207613.db2.gz TZVAVJJRNJRWHW-UHFFFAOYSA-N -1 1 353.426 2.234 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)co1 ZINC000190734436 328228779 /nfs/dbraw/zinc/22/87/79/328228779.db2.gz JMVGVQNREUZAJI-JTQLQIEISA-N -1 1 368.377 2.238 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000191455785 328266768 /nfs/dbraw/zinc/26/67/68/328266768.db2.gz DCUXYQOIFVGTBR-UHFFFAOYSA-N -1 1 370.840 2.420 20 0 FEADMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191878681 328286383 /nfs/dbraw/zinc/28/63/83/328286383.db2.gz OJESQQVKWYIMJE-QMMMGPOBSA-N -1 1 355.218 2.080 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1Cl ZINC000193489107 328378410 /nfs/dbraw/zinc/37/84/10/328378410.db2.gz NMFAEWUWPWBVFG-UHFFFAOYSA-N -1 1 366.826 2.435 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H](O)C1 ZINC000021411262 324395834 /nfs/dbraw/zinc/39/58/34/324395834.db2.gz KZSVHRRGLWIQDG-INIZCTEOSA-N -1 1 360.435 2.084 20 0 FEADMM CNC(=O)c1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1C ZINC000041969086 324518122 /nfs/dbraw/zinc/51/81/22/324518122.db2.gz YFEUNGBVBMYUKS-UHFFFAOYSA-N -1 1 374.466 2.040 20 0 FEADMM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(C)C)[nH]n2)C1=O ZINC000044942712 324567335 /nfs/dbraw/zinc/56/73/35/324567335.db2.gz FAKMPJCPDXBGNA-SFHVURJKSA-N -1 1 355.398 2.035 20 0 FEADMM C[C@@H](CO)CCCNC(=O)c1cc(I)ccc1[O-] ZINC000230319132 328486855 /nfs/dbraw/zinc/48/68/55/328486855.db2.gz MEUYATHAERMVAL-SECBINFHSA-N -1 1 363.195 2.135 20 0 FEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)CC1 ZINC000236855129 328496358 /nfs/dbraw/zinc/49/63/58/328496358.db2.gz DPVDYVDYFWWBMD-UHFFFAOYSA-N -1 1 354.472 2.106 20 0 FEADMM [O-]c1nnn(-c2ccccc2)c1CN1CCN(CCc2ccccc2)CC1 ZINC000057085660 324821780 /nfs/dbraw/zinc/82/17/80/324821780.db2.gz COOQQXAZHKBCDM-UHFFFAOYSA-N -1 1 363.465 2.333 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000064317272 324871737 /nfs/dbraw/zinc/87/17/37/324871737.db2.gz JXOYIQSDLGFGOJ-OAHLLOKOSA-N -1 1 366.421 2.104 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](Nc3ccccc3)C2)c(=O)[n-]1 ZINC000076969364 324973078 /nfs/dbraw/zinc/97/30/78/324973078.db2.gz CZWVOJZJNCBBIG-HNNXBMFYSA-N -1 1 372.494 2.446 20 0 FEADMM CCn1c(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)n[n-]c1=S ZINC000078496463 325048546 /nfs/dbraw/zinc/04/85/46/325048546.db2.gz OEJJBHWKEVTCOD-GXFFZTMASA-N -1 1 359.455 2.485 20 0 FEADMM CC(C)n1c(CNC(=O)c2cn(Cc3cccs3)nn2)n[n-]c1=S ZINC000080191052 325121648 /nfs/dbraw/zinc/12/16/48/325121648.db2.gz XNDKMEPXZYZVQJ-UHFFFAOYSA-N -1 1 363.472 2.153 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1cc2ccccc2o1)NCc1ccccc1 ZINC000084937343 325247061 /nfs/dbraw/zinc/24/70/61/325247061.db2.gz VWWPVYMUWBAFFW-UHFFFAOYSA-N -1 1 358.419 2.418 20 0 FEADMM Cn1c(C2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)n[n-]c1=S ZINC000091442545 325386432 /nfs/dbraw/zinc/38/64/32/325386432.db2.gz LDCLFTDNPXAGDS-CQSZACIVSA-N -1 1 364.446 2.446 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000104834819 325547621 /nfs/dbraw/zinc/54/76/21/325547621.db2.gz CKIZEHDWLDIJJV-QGZVFWFLSA-N -1 1 364.449 2.416 20 0 FEADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)CCn2cccn2)c1 ZINC000109968927 325681273 /nfs/dbraw/zinc/68/12/73/325681273.db2.gz JUYDZSAJCZWZAF-UHFFFAOYSA-N -1 1 356.455 2.271 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCc3c2cccc3O)c(=O)[n-]1 ZINC000111603616 325726484 /nfs/dbraw/zinc/72/64/84/325726484.db2.gz KIAJPIKPUBTHRQ-AWEZNQCLSA-N -1 1 359.451 2.242 20 0 FEADMM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CCCC(=O)[O-])CC1 ZINC000116402328 326011555 /nfs/dbraw/zinc/01/15/55/326011555.db2.gz RBGRVBJYZRKMLK-LBPRGKRZSA-N -1 1 350.444 2.342 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)co1 ZINC000119356063 326153357 /nfs/dbraw/zinc/15/33/57/326153357.db2.gz SAFOTJANTSJTJL-UHFFFAOYSA-N -1 1 352.456 2.084 20 0 FEADMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119437216 326162252 /nfs/dbraw/zinc/16/22/52/326162252.db2.gz SVSXXFOKDDWFLD-WRWORJQWSA-N -1 1 372.231 2.413 20 0 FEADMM CC(=O)c1cccc(COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000119446014 326163531 /nfs/dbraw/zinc/16/35/31/326163531.db2.gz HPORHAUGKXFTEB-UHFFFAOYSA-N -1 1 353.378 2.128 20 0 FEADMM O=C(CCNC(=O)c1c([O-])cccc1F)N1CCN(c2ccccc2)CC1 ZINC000122080207 326383218 /nfs/dbraw/zinc/38/32/18/326383218.db2.gz AHOUVGGHYHYTHS-UHFFFAOYSA-N -1 1 371.412 2.000 20 0 FEADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4oc(=O)[nH]c4c3)ccc2NC1=O ZINC000122312171 326391898 /nfs/dbraw/zinc/39/18/98/326391898.db2.gz POKIJOHAPRPILX-UHFFFAOYSA-N -1 1 373.390 2.152 20 0 FEADMM CCOCCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000124168600 326448819 /nfs/dbraw/zinc/44/88/19/326448819.db2.gz IDMJAUPMCCKLTR-UHFFFAOYSA-N -1 1 368.861 2.441 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000128332902 326521881 /nfs/dbraw/zinc/52/18/81/326521881.db2.gz KPLOWCGIWBRPPN-HOCLYGCPSA-N -1 1 358.442 2.012 20 0 FEADMM C[C@@H](CC(=O)NCCCc1nc(=O)[n-][nH]1)c1ccc(Br)cc1 ZINC000129466041 326541122 /nfs/dbraw/zinc/54/11/22/326541122.db2.gz YKPQAUJOYXHHMJ-JTQLQIEISA-N -1 1 367.247 2.103 20 0 FEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000133113618 326603267 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O=S(=O)([N-][C@@H](C1CC1)[C@]1(CO)CCCO1)c1c(F)cccc1Cl ZINC000555456325 674362520 /nfs/dbraw/zinc/36/25/20/674362520.db2.gz OYWQYUGKVWWRMZ-LSDHHAIUSA-N -1 1 363.838 2.078 20 0 FEADMM O=S(=O)([N-]c1cc(-c2cc3ccccc3s2)[nH]n1)N1CCOCC1 ZINC000555753628 674374958 /nfs/dbraw/zinc/37/49/58/674374958.db2.gz VZPGRZCZYVFQDX-UHFFFAOYSA-N -1 1 364.452 2.280 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(CC)CC ZINC000155508404 545534757 /nfs/dbraw/zinc/53/47/57/545534757.db2.gz JWJCFJBPWAQABL-ZIAGYGMSSA-N -1 1 372.487 2.244 20 0 FEADMM O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155510488 545536054 /nfs/dbraw/zinc/53/60/54/545536054.db2.gz GAFPEMOINKDZSI-CQSZACIVSA-N -1 1 350.382 2.407 20 0 FEADMM CC(C)C(=O)N1CCC(C(=O)Nc2nc(Br)ccc2[O-])CC1 ZINC000156400369 545624954 /nfs/dbraw/zinc/62/49/54/545624954.db2.gz GZSZZQJAFYAEAD-UHFFFAOYSA-N -1 1 370.247 2.383 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000477383914 561143569 /nfs/dbraw/zinc/14/35/69/561143569.db2.gz RMSUJSBNGITCAC-RYUDHWBXSA-N -1 1 363.414 2.041 20 0 FEADMM Cc1c([C@H](C)NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cnn1C ZINC000477461655 561145665 /nfs/dbraw/zinc/14/56/65/561145665.db2.gz BVCJTWQCCYAROW-LBPRGKRZSA-N -1 1 366.425 2.014 20 0 FEADMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157608442 545759888 /nfs/dbraw/zinc/75/98/88/545759888.db2.gz SWDVZHOKULOUHJ-UHFFFAOYSA-N -1 1 358.341 2.193 20 0 FEADMM NC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157639292 545764051 /nfs/dbraw/zinc/76/40/51/545764051.db2.gz JYIQXAJNMPQLAP-UHFFFAOYSA-N -1 1 374.340 2.159 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(CCO)CC1CC1 ZINC000477956945 561157087 /nfs/dbraw/zinc/15/70/87/561157087.db2.gz DFDMPNYHUHTJRJ-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C3CCCCC3)nn2C)co1 ZINC000158653723 545880506 /nfs/dbraw/zinc/88/05/06/545880506.db2.gz PJYRTELRUDOQFB-UHFFFAOYSA-N -1 1 366.443 2.221 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1 ZINC000158780282 545895082 /nfs/dbraw/zinc/89/50/82/545895082.db2.gz VIFQIJAFXDBSRC-UHFFFAOYSA-N -1 1 372.443 2.331 20 0 FEADMM CCc1nc([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n[nH]1 ZINC000479058919 561180549 /nfs/dbraw/zinc/18/05/49/561180549.db2.gz UHTARPRJUGRWOZ-UHFFFAOYSA-N -1 1 369.282 2.358 20 0 FEADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000479134788 561182417 /nfs/dbraw/zinc/18/24/17/561182417.db2.gz ZTUSFPLKZCONEV-UHFFFAOYSA-N -1 1 368.422 2.312 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2F)o1 ZINC000479197331 561184125 /nfs/dbraw/zinc/18/41/25/561184125.db2.gz UKEJHRPXIOAQAE-NSHDSACASA-N -1 1 371.386 2.341 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1C ZINC000479232498 561185426 /nfs/dbraw/zinc/18/54/26/561185426.db2.gz SNJJTTPWFPCANZ-UHFFFAOYSA-N -1 1 362.407 2.193 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1Cn1cncn1)OCO2 ZINC000479271897 561186353 /nfs/dbraw/zinc/18/63/53/561186353.db2.gz CIRJDRALMWAASF-UHFFFAOYSA-N -1 1 372.406 2.164 20 0 FEADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc12 ZINC000479566734 561192102 /nfs/dbraw/zinc/19/21/02/561192102.db2.gz LWPNRAJTXJRBCB-UHFFFAOYSA-N -1 1 371.374 2.072 20 0 FEADMM O=c1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)nc2cc[n-]n21 ZINC000175956529 546379807 /nfs/dbraw/zinc/37/98/07/546379807.db2.gz ZFFOZCIPBXQBNL-GOSISDBHSA-N -1 1 352.438 2.246 20 0 FEADMM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000176630737 546470120 /nfs/dbraw/zinc/47/01/20/546470120.db2.gz MYARGYCGCWJFOO-SSDOTTSWSA-N -1 1 351.329 2.265 20 0 FEADMM CCC[C@H](NC(=O)Cn1c(CSC)nc2ccccc21)c1nn[n-]n1 ZINC000176774033 546486202 /nfs/dbraw/zinc/48/62/02/546486202.db2.gz XLLVAJMYDFIJKI-LBPRGKRZSA-N -1 1 359.459 2.070 20 0 FEADMM COc1cc(NC(=O)Cn2cc3ccccc3n2)ccc1[N-]S(C)(=O)=O ZINC000480711655 561214899 /nfs/dbraw/zinc/21/48/99/561214899.db2.gz YRNCNYYEEIKBFM-UHFFFAOYSA-N -1 1 374.422 2.055 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1O ZINC000481464878 561233335 /nfs/dbraw/zinc/23/33/35/561233335.db2.gz NUOPEAULWBHLEM-UHFFFAOYSA-N -1 1 372.406 2.337 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2-n2cccn2)ccc1[O-] ZINC000481464878 561233336 /nfs/dbraw/zinc/23/33/36/561233336.db2.gz NUOPEAULWBHLEM-UHFFFAOYSA-N -1 1 372.406 2.337 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)[C@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000481587212 561236681 /nfs/dbraw/zinc/23/66/81/561236681.db2.gz KCURDYMXNPKOBD-IUCAKERBSA-N -1 1 372.245 2.056 20 0 FEADMM O=C(N[C@@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000179043310 546890116 /nfs/dbraw/zinc/89/01/16/546890116.db2.gz OXXPOFGGJIEKRN-OAHLLOKOSA-N -1 1 364.398 2.145 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)cc1 ZINC000179043995 546890745 /nfs/dbraw/zinc/89/07/45/546890745.db2.gz LXWIMAAKGGGVFA-MRXNPFEDSA-N -1 1 360.435 2.315 20 0 FEADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@@H](C)c1cccc(OC)c1 ZINC000179295957 546927232 /nfs/dbraw/zinc/92/72/32/546927232.db2.gz BKVNMYQRPYIGPX-LBPRGKRZSA-N -1 1 366.439 2.420 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000481900938 561245107 /nfs/dbraw/zinc/24/51/07/561245107.db2.gz LXUAQJRPPAJANM-INIZCTEOSA-N -1 1 359.813 2.438 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@H](c2ccccc2)O1 ZINC000179454425 546956792 /nfs/dbraw/zinc/95/67/92/546956792.db2.gz VVAFHTYKEULZLH-MLGOLLRUSA-N -1 1 352.394 2.276 20 0 FEADMM CCc1nn(C)c(OC)c1CNC(=O)c1cc(Br)ccc1[O-] ZINC000179471773 546960935 /nfs/dbraw/zinc/96/09/35/546960935.db2.gz ZIEWFXBONYYVCJ-UHFFFAOYSA-N -1 1 368.231 2.389 20 0 FEADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179538524 546972986 /nfs/dbraw/zinc/97/29/86/546972986.db2.gz OREGCARGFMBFKB-UHFFFAOYSA-N -1 1 359.407 2.011 20 0 FEADMM Cc1cccc2[nH]cc(CC(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c21 ZINC000179539051 546973325 /nfs/dbraw/zinc/97/33/25/546973325.db2.gz PKCCLMCCWOVYRE-UHFFFAOYSA-N -1 1 359.407 2.011 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000179540756 546974008 /nfs/dbraw/zinc/97/40/08/546974008.db2.gz CYBGTYOTDQEBFY-NEPJUHHUSA-N -1 1 366.826 2.435 20 0 FEADMM C[C@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCCc2ccccc21 ZINC000179540302 546974562 /nfs/dbraw/zinc/97/45/62/546974562.db2.gz LYKFBADCENDYKW-SFHVURJKSA-N -1 1 360.435 2.272 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccccc1 ZINC000482108656 561248505 /nfs/dbraw/zinc/24/85/05/561248505.db2.gz ZFYYAZZMJLECPG-UHFFFAOYSA-N -1 1 362.407 2.244 20 0 FEADMM O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)[N-]CC(F)F)C1 ZINC000180342037 547088348 /nfs/dbraw/zinc/08/83/48/547088348.db2.gz GGKQXCWHXNZWNJ-GFCCVEGCSA-N -1 1 366.817 2.129 20 0 FEADMM Cn1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cn1 ZINC000180644605 547149492 /nfs/dbraw/zinc/14/94/92/547149492.db2.gz NBCUSNGSTXPJAK-UHFFFAOYSA-N -1 1 354.332 2.107 20 0 FEADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000181029054 547233270 /nfs/dbraw/zinc/23/32/70/547233270.db2.gz HFGXBSKGFXARGS-WDEREUQCSA-N -1 1 352.437 2.152 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000484198215 561293499 /nfs/dbraw/zinc/29/34/99/561293499.db2.gz YBRKPVQKSCJSNL-CQSZACIVSA-N -1 1 371.412 2.452 20 0 FEADMM CC(C)CC(=O)Nc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1F ZINC000183407298 547652706 /nfs/dbraw/zinc/65/27/06/547652706.db2.gz XFXFGPJGLOTQQE-LLVKDONJSA-N -1 1 362.409 2.199 20 0 FEADMM C[C@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccc(Br)s1 ZINC000183430843 547657711 /nfs/dbraw/zinc/65/77/11/547657711.db2.gz OHTAVBNLZVJPOQ-YUMQZZPRSA-N -1 1 358.265 2.389 20 0 FEADMM Cc1ccc(-n2nc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c3c2CCC3)cc1 ZINC000183450531 547661526 /nfs/dbraw/zinc/66/15/26/547661526.db2.gz TZOPMDHLIPXENM-ZDUSSCGKSA-N -1 1 365.441 2.058 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000484630136 561301531 /nfs/dbraw/zinc/30/15/31/561301531.db2.gz NTXMYSXZBSJRSM-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H](C)c2nccs2)c(=O)[n-]1 ZINC000184307491 547804073 /nfs/dbraw/zinc/80/40/73/547804073.db2.gz PTPVTRXDHSZBMK-VIFPVBQESA-N -1 1 352.485 2.109 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(SC)c(F)c2)co1 ZINC000184609256 547853044 /nfs/dbraw/zinc/85/30/44/547853044.db2.gz KLXHLVYOBCFBOM-UHFFFAOYSA-N -1 1 362.379 2.440 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)cc1 ZINC000485274905 561316147 /nfs/dbraw/zinc/31/61/47/561316147.db2.gz RSAPGCVHUBYVQT-UHFFFAOYSA-N -1 1 371.418 2.304 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185105386 547934986 /nfs/dbraw/zinc/93/49/86/547934986.db2.gz HIMGVOGIAUBCDO-OCCSQVGLSA-N -1 1 366.483 2.412 20 0 FEADMM CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000485332881 561317119 /nfs/dbraw/zinc/31/71/19/561317119.db2.gz HVWQWXFRGPGTNY-UHFFFAOYSA-N -1 1 352.188 2.386 20 0 FEADMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1c([O-])cccc1F ZINC000186138594 548090433 /nfs/dbraw/zinc/09/04/33/548090433.db2.gz MMBATBBJRJIHDV-UHFFFAOYSA-N -1 1 357.790 2.388 20 0 FEADMM Cc1nnc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000485823123 561329145 /nfs/dbraw/zinc/32/91/45/561329145.db2.gz YNWUSUYHQVAPEL-UHFFFAOYSA-N -1 1 372.406 2.360 20 0 FEADMM CCCCc1nc2cc(NC(=O)CNC(=O)c3ncccc3[O-])ccc2[nH]1 ZINC000485946430 561333021 /nfs/dbraw/zinc/33/30/21/561333021.db2.gz UZGYPIRSUWYNNZ-UHFFFAOYSA-N -1 1 367.409 2.375 20 0 FEADMM COCc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)n1 ZINC000186839991 548204102 /nfs/dbraw/zinc/20/41/02/548204102.db2.gz FGHNBNARGMATFI-LLVKDONJSA-N -1 1 362.411 2.449 20 0 FEADMM COCCO[C@H]1COCC[C@@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000486031299 561336052 /nfs/dbraw/zinc/33/60/52/561336052.db2.gz SXTIGAMIOQDOPA-HOTGVXAUSA-N -1 1 374.441 2.093 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(Cc2ccc(F)cc2)CC1 ZINC000486282999 561343162 /nfs/dbraw/zinc/34/31/62/561343162.db2.gz VLFLXVNOGFVCLJ-UHFFFAOYSA-N -1 1 371.412 2.137 20 0 FEADMM CCCc1nc(C)c(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)s1 ZINC000486340999 561344705 /nfs/dbraw/zinc/34/47/05/561344705.db2.gz MZIGEWWMMSPQEM-UHFFFAOYSA-N -1 1 367.504 2.192 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1ccccc1 ZINC000193982582 548417036 /nfs/dbraw/zinc/41/70/36/548417036.db2.gz VDQKPSCUMRDYEX-MRXNPFEDSA-N -1 1 365.455 2.122 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nc4ccc(F)cc4[nH]3)cc21 ZINC000486565099 561351029 /nfs/dbraw/zinc/35/10/29/561351029.db2.gz VKXKHXLUQODJKP-UHFFFAOYSA-N -1 1 374.397 2.412 20 0 FEADMM CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195114496 548579131 /nfs/dbraw/zinc/57/91/31/548579131.db2.gz CHZPYDFYXSVRDL-JTQLQIEISA-N -1 1 370.862 2.156 20 0 FEADMM CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195114496 548579135 /nfs/dbraw/zinc/57/91/35/548579135.db2.gz CHZPYDFYXSVRDL-JTQLQIEISA-N -1 1 370.862 2.156 20 0 FEADMM CCc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)n1 ZINC000195129143 548582879 /nfs/dbraw/zinc/58/28/79/548582879.db2.gz WGQOWSRZOTVVHY-MRVPVSSYSA-N -1 1 351.363 2.091 20 0 FEADMM CCc1noc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)n1 ZINC000195129143 548582883 /nfs/dbraw/zinc/58/28/83/548582883.db2.gz WGQOWSRZOTVVHY-MRVPVSSYSA-N -1 1 351.363 2.091 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195165288 548588505 /nfs/dbraw/zinc/58/85/05/548588505.db2.gz YIEPIUANHIKKTA-VIFPVBQESA-N -1 1 354.407 2.042 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195165288 548588507 /nfs/dbraw/zinc/58/85/07/548588507.db2.gz YIEPIUANHIKKTA-VIFPVBQESA-N -1 1 354.407 2.042 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195165288 548588518 /nfs/dbraw/zinc/58/85/18/548588518.db2.gz YIEPIUANHIKKTA-VIFPVBQESA-N -1 1 354.407 2.042 20 0 FEADMM COc1ccccc1C[C@H](CNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000237278810 548815110 /nfs/dbraw/zinc/81/51/10/548815110.db2.gz RBQWBOIVJXXHQG-CYBMUJFWSA-N -1 1 353.378 2.245 20 0 FEADMM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000488365608 561388741 /nfs/dbraw/zinc/38/87/41/561388741.db2.gz JVEYTCKOGYDUJI-SECBINFHSA-N -1 1 353.375 2.492 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)cc1 ZINC000247972932 549396902 /nfs/dbraw/zinc/39/69/02/549396902.db2.gz YVVGLPUKRBGUAA-UHFFFAOYSA-N -1 1 359.411 2.036 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000248432133 549436160 /nfs/dbraw/zinc/43/61/60/549436160.db2.gz VJECDCQEUSDLQT-ADEWGFFLSA-N -1 1 369.347 2.464 20 0 FEADMM O=S(=O)([N-]CCN1CCSCC1)c1cc(Cl)sc1Cl ZINC000489708848 561417509 /nfs/dbraw/zinc/41/75/09/561417509.db2.gz AQFBYZSNPCOXSW-UHFFFAOYSA-N -1 1 361.341 2.382 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000249706819 549617291 /nfs/dbraw/zinc/61/72/91/549617291.db2.gz OWPUSGMWPADOHT-DOMZBBRYSA-N -1 1 368.499 2.400 20 0 FEADMM CCC[C@@H](NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000262285784 549806246 /nfs/dbraw/zinc/80/62/46/549806246.db2.gz MFANEEZSXLVQPM-HZPDHXFCSA-N -1 1 364.442 2.210 20 0 FEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CSCN1 ZINC000490420641 561432620 /nfs/dbraw/zinc/43/26/20/561432620.db2.gz SFGPLPUXFVPOCQ-OAHLLOKOSA-N -1 1 363.464 2.088 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000262978877 549867835 /nfs/dbraw/zinc/86/78/35/549867835.db2.gz UDAICRSRFYQHEJ-LJQANCHMSA-N -1 1 373.409 2.039 20 0 FEADMM Cc1cccc(OCCCNC(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000263130363 549880218 /nfs/dbraw/zinc/88/02/18/549880218.db2.gz NBHOZIITLBYPMZ-KRWDZBQOSA-N -1 1 362.470 2.457 20 0 FEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000263435275 549901023 /nfs/dbraw/zinc/90/10/23/549901023.db2.gz ZSIYMHWYOOVJTM-LSDHHAIUSA-N -1 1 356.426 2.042 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnc(C(=O)[O-])cn3)[nH]c2c1 ZINC000263471398 549903330 /nfs/dbraw/zinc/90/33/30/549903330.db2.gz YAXAICNJCCUTQX-OAHLLOKOSA-N -1 1 351.366 2.337 20 0 FEADMM COc1ccc(CN(CC(=O)NCC(=O)[O-])C2CCCCC2)cc1OC ZINC000263582643 549910200 /nfs/dbraw/zinc/91/02/00/549910200.db2.gz YWAPMOYKWDMSRI-UHFFFAOYSA-N -1 1 364.442 2.039 20 0 FEADMM COc1cc(C)c(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1OC ZINC000264187778 549989895 /nfs/dbraw/zinc/98/98/95/549989895.db2.gz RBUUDUGFRUIVMP-UHFFFAOYSA-N -1 1 370.409 2.146 20 0 FEADMM CC[C@@H]1CC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])O1 ZINC000268283367 550044614 /nfs/dbraw/zinc/04/46/14/550044614.db2.gz WWYJWNPGQNTJOR-MLGOLLRUSA-N -1 1 368.455 2.073 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@H](CCO)CC(C)C ZINC000268651287 550099382 /nfs/dbraw/zinc/09/93/82/550099382.db2.gz QCNYZSIKLIGJAQ-HNNXBMFYSA-N -1 1 372.469 2.256 20 0 FEADMM CCC[C@@H](CCO)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000269645501 550213844 /nfs/dbraw/zinc/21/38/44/550213844.db2.gz YRWRFMJPCURYCA-HNNXBMFYSA-N -1 1 372.469 2.400 20 0 FEADMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000269792024 550225797 /nfs/dbraw/zinc/22/57/97/550225797.db2.gz QXUKAJANSABXBQ-SECBINFHSA-N -1 1 366.258 2.424 20 0 FEADMM COCCN(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271217015 550354405 /nfs/dbraw/zinc/35/44/05/550354405.db2.gz FIKXTZPNRXHINO-UHFFFAOYSA-N -1 1 350.293 2.221 20 0 FEADMM CCc1nn(C)cc1NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000271552359 550384734 /nfs/dbraw/zinc/38/47/34/550384734.db2.gz OUMPWCJKRWWUSS-UHFFFAOYSA-N -1 1 367.431 2.007 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000271883056 550408271 /nfs/dbraw/zinc/40/82/71/550408271.db2.gz NLXVOJHZIWBADF-KRWDZBQOSA-N -1 1 370.453 2.008 20 0 FEADMM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272144943 550425159 /nfs/dbraw/zinc/42/51/59/550425159.db2.gz PROFVHSXNMKDMQ-HNNXBMFYSA-N -1 1 356.444 2.106 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CCCCS1 ZINC000273036600 550481697 /nfs/dbraw/zinc/48/16/97/550481697.db2.gz ZWERDAXEKFYXKX-OAHLLOKOSA-N -1 1 370.496 2.401 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc(C(=O)[O-])c1Cl ZINC000273759175 550510307 /nfs/dbraw/zinc/51/03/07/550510307.db2.gz QMLRLQQAGZVKFI-YGRLFVJLSA-N -1 1 372.874 2.108 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)o1 ZINC000274840365 550558522 /nfs/dbraw/zinc/55/85/22/550558522.db2.gz RYLTWALKEXSOCJ-UHFFFAOYSA-N -1 1 358.803 2.140 20 0 FEADMM CCOC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)C ZINC000276916020 550610635 /nfs/dbraw/zinc/61/06/35/550610635.db2.gz RXLIWIVLTJNGET-MRXNPFEDSA-N -1 1 358.442 2.272 20 0 FEADMM COc1ccc(NC(=O)Nc2cc(C3CC3)[nH]n2)cc1[N-]S(C)(=O)=O ZINC000277144912 550636638 /nfs/dbraw/zinc/63/66/38/550636638.db2.gz VHEYWDRDNFNOAW-UHFFFAOYSA-N -1 1 365.415 2.311 20 0 FEADMM Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000277304326 550654082 /nfs/dbraw/zinc/65/40/82/550654082.db2.gz AYNYNDCQYRZDCX-QUGAMOGWSA-N -1 1 369.446 2.225 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCOc3ccccc3)CC2)n1 ZINC000277668744 550699157 /nfs/dbraw/zinc/69/91/57/550699157.db2.gz JSEHOYFCJCPAFO-UHFFFAOYSA-N -1 1 372.425 2.157 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(C(C)C)no3)CC2)n1 ZINC000277692019 550702182 /nfs/dbraw/zinc/70/21/82/550702182.db2.gz LHKIARUAZYUKLU-UHFFFAOYSA-N -1 1 361.402 2.113 20 0 FEADMM CCOc1cc(-c2noc(CN3CCCS3(=O)=O)n2)cc(Cl)c1[O-] ZINC000277806146 550715957 /nfs/dbraw/zinc/71/59/57/550715957.db2.gz GHWRUMNGJLQXGG-UHFFFAOYSA-N -1 1 373.818 2.030 20 0 FEADMM CCOc1cc(-c2nc(CS(=O)(=O)NC3CC3)no2)cc(Cl)c1[O-] ZINC000278117248 550751225 /nfs/dbraw/zinc/75/12/25/550751225.db2.gz FQGCZTKSIFEJEY-UHFFFAOYSA-N -1 1 373.818 2.076 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1nc(Cl)ccc1[O-] ZINC000278694026 550812055 /nfs/dbraw/zinc/81/20/55/550812055.db2.gz RKRBABRKIWSUMV-DVYJOKAKSA-N -1 1 370.862 2.105 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)c3cc(Cl)nc(N4CCCC4)c3)ccnc1-2 ZINC000279121937 550856440 /nfs/dbraw/zinc/85/64/40/550856440.db2.gz AGUPFXIJQDDWSR-BKUYFWCQSA-N -1 1 356.817 2.243 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1C[C@H](C)O ZINC000279126299 550856937 /nfs/dbraw/zinc/85/69/37/550856937.db2.gz ATCSUKIZVREDSV-BBRMVZONSA-N -1 1 370.453 2.247 20 0 FEADMM CC1CCN(c2ccc(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)cn2)CC1 ZINC000279143756 550858710 /nfs/dbraw/zinc/85/87/10/550858710.db2.gz DKQCKIGWBQDIFN-KQWNVCNZSA-N -1 1 350.426 2.225 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)c1 ZINC000279218404 550866018 /nfs/dbraw/zinc/86/60/18/550866018.db2.gz FLWYJRAYJPJBQO-LBPRGKRZSA-N -1 1 358.398 2.230 20 0 FEADMM CC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1O ZINC000279257408 550870523 /nfs/dbraw/zinc/87/05/23/550870523.db2.gz ILAMSUVQKATSAI-QGZVFWFLSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CCC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279753977 550925450 /nfs/dbraw/zinc/92/54/50/550925450.db2.gz LIWVXGNYHJFBRW-XLNRJJMWSA-N -1 1 354.458 2.382 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nn[n-]n1 ZINC000280641996 551016469 /nfs/dbraw/zinc/01/64/69/551016469.db2.gz COKJWSCHAVDZQR-JIMOISOXSA-N -1 1 369.347 2.464 20 0 FEADMM C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cn2)CCO1 ZINC000280669116 551019682 /nfs/dbraw/zinc/01/96/82/551019682.db2.gz BIAKEEYRKJAPBD-LLVKDONJSA-N -1 1 363.364 2.221 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000280702296 551023138 /nfs/dbraw/zinc/02/31/38/551023138.db2.gz FQUHJWPWTVCDNM-UHFFFAOYSA-N -1 1 368.433 2.318 20 0 FEADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000280852764 551039312 /nfs/dbraw/zinc/03/93/12/551039312.db2.gz WEYJDCQDTICQMH-ZDUSSCGKSA-N -1 1 354.406 2.420 20 0 FEADMM Cc1noc(C)c1CN1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000281053420 551058613 /nfs/dbraw/zinc/05/86/13/551058613.db2.gz XTBYOBGKEMSPIW-UHFFFAOYSA-N -1 1 351.353 2.233 20 0 FEADMM Cc1c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)sc2nccn12 ZINC000281581233 551116243 /nfs/dbraw/zinc/11/62/43/551116243.db2.gz BLQVGXWASUJFMF-UHFFFAOYSA-N -1 1 374.388 2.235 20 0 FEADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281593629 551117748 /nfs/dbraw/zinc/11/77/48/551117748.db2.gz CSEPIKQQXRPLNL-SECBINFHSA-N -1 1 360.380 2.047 20 0 FEADMM Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2nn[n-]n2)cc1 ZINC000497371650 561499576 /nfs/dbraw/zinc/49/95/76/561499576.db2.gz XMNSRPOBYUIEBE-UHFFFAOYSA-N -1 1 350.407 2.500 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1nn[n-]n1 ZINC000282322042 551211692 /nfs/dbraw/zinc/21/16/92/551211692.db2.gz MLWMECLYYXEOLS-UDZFHETQSA-N -1 1 367.812 2.332 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)cn1 ZINC000282532473 551242970 /nfs/dbraw/zinc/24/29/70/551242970.db2.gz WHWPMPVLWBDLGG-ZDUSSCGKSA-N -1 1 363.439 2.116 20 0 FEADMM O=C(c1cc(-c2ccccc2Cl)on1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282826935 551274931 /nfs/dbraw/zinc/27/49/31/551274931.db2.gz CZKKUXKZTUQUPZ-JTQLQIEISA-N -1 1 373.800 2.426 20 0 FEADMM O=C(c1ccc(Br)cc1F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282923108 551285762 /nfs/dbraw/zinc/28/57/62/551285762.db2.gz NZFBRLMSVYQLOV-QMMMGPOBSA-N -1 1 369.194 2.019 20 0 FEADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000282988794 551294118 /nfs/dbraw/zinc/29/41/18/551294118.db2.gz HNBPNCAVIMYSCM-MRVPVSSYSA-N -1 1 354.382 2.107 20 0 FEADMM COc1cc(NC(=O)c2c3ccccc3nn2C)ccc1[N-]S(C)(=O)=O ZINC000497732090 561507409 /nfs/dbraw/zinc/50/74/09/561507409.db2.gz HGOBTVXEQMITLR-UHFFFAOYSA-N -1 1 374.422 2.206 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](OCCO)C1 ZINC000283467178 551371214 /nfs/dbraw/zinc/37/12/14/551371214.db2.gz AZSYBIBUUNFPBW-GFCCVEGCSA-N -1 1 350.802 2.207 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cncc([O-])c3)cc2)C[C@@H](C)O1 ZINC000283956709 551457028 /nfs/dbraw/zinc/45/70/28/551457028.db2.gz KRFJSSPKBVPLNS-CHWSQXEVSA-N -1 1 355.394 2.289 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C)c(O)c3)cc2CC1 ZINC000284066070 551477869 /nfs/dbraw/zinc/47/78/69/551477869.db2.gz YVXHWTKPRBDFIV-UHFFFAOYSA-N -1 1 374.462 2.449 20 0 FEADMM COCCOCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000498201891 561518467 /nfs/dbraw/zinc/51/84/67/561518467.db2.gz OPEOHFUCDZZEKH-UHFFFAOYSA-N -1 1 364.423 2.089 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1cc(C)cc(C)c1 ZINC000284309532 551520833 /nfs/dbraw/zinc/52/08/33/551520833.db2.gz NMMPPQLUNYMRBZ-GFCCVEGCSA-N -1 1 353.362 2.389 20 0 FEADMM C[C@H](CCO)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498213919 561518912 /nfs/dbraw/zinc/51/89/12/561518912.db2.gz KWRSAQSZAUNZMQ-CYBMUJFWSA-N -1 1 363.439 2.380 20 0 FEADMM CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)CC2 ZINC000284340328 551527259 /nfs/dbraw/zinc/52/72/59/551527259.db2.gz PLPXEWFPZMHQCU-NSHDSACASA-N -1 1 372.853 2.487 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c1 ZINC000285173957 551715337 /nfs/dbraw/zinc/71/53/37/551715337.db2.gz UDIOUZFLDQQBFE-UHFFFAOYSA-N -1 1 351.428 2.103 20 0 FEADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000285408019 551751397 /nfs/dbraw/zinc/75/13/97/551751397.db2.gz ZXLQEBKAFFOVSQ-NSHDSACASA-N -1 1 366.487 2.089 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2CCCSC2)cc1[N-]S(C)(=O)=O ZINC000286901194 551938112 /nfs/dbraw/zinc/93/81/12/551938112.db2.gz AIDJESRSDAOTII-NSHDSACASA-N -1 1 373.500 2.331 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287228947 551978702 /nfs/dbraw/zinc/97/87/02/551978702.db2.gz BCRBDHPYKVYEJG-ZDUSSCGKSA-N -1 1 362.426 2.338 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c(Br)n1C ZINC000287266303 551982694 /nfs/dbraw/zinc/98/26/94/551982694.db2.gz HZTBRQRBZVCCJI-QMMMGPOBSA-N -1 1 374.260 2.236 20 0 FEADMM C[C@@H]1[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000287297004 551986645 /nfs/dbraw/zinc/98/66/45/551986645.db2.gz SQIKRIDPFPEIGB-RDTXWAMCSA-N -1 1 374.462 2.326 20 0 FEADMM O=C(NCc1cccc(CN2CCCC2=O)c1)C(=O)c1ccc([O-])cc1 ZINC000287335561 551990889 /nfs/dbraw/zinc/99/08/89/551990889.db2.gz PACMAADGTGCTNX-UHFFFAOYSA-N -1 1 352.390 2.014 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@@H](CCc4ccccc4)C3)ccnc1-2 ZINC000287361085 551994322 /nfs/dbraw/zinc/99/43/22/551994322.db2.gz YVIGCNUSEQVBBI-CYMZXICGSA-N -1 1 365.437 2.207 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000499331679 561548915 /nfs/dbraw/zinc/54/89/15/561548915.db2.gz VOXXAEFBKGBXAM-UHFFFAOYSA-N -1 1 361.326 2.163 20 0 FEADMM Cc1cccc(NC(=O)CN(C)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1C ZINC000287552037 552018536 /nfs/dbraw/zinc/01/85/36/552018536.db2.gz JRTRJRXMLCGBTM-KQWNVCNZSA-N -1 1 366.425 2.061 20 0 FEADMM C[C@@H]1CN(c2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)C[C@@H](C)O1 ZINC000287564260 552019690 /nfs/dbraw/zinc/01/96/90/552019690.db2.gz KKIXCPCFKXIKRH-CHWSQXEVSA-N -1 1 355.394 2.222 20 0 FEADMM Cc1cccc(CC2(O)CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000287916315 552062454 /nfs/dbraw/zinc/06/24/54/552062454.db2.gz CKHQRCVDBLZHFQ-UHFFFAOYSA-N -1 1 353.418 2.480 20 0 FEADMM CC(C)[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)NC(=O)OC(C)(C)C ZINC000287957395 552067870 /nfs/dbraw/zinc/06/78/70/552067870.db2.gz LBRJNVIWWJITRA-CQSZACIVSA-N -1 1 350.415 2.240 20 0 FEADMM Cc1ncccc1CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000288269048 552122736 /nfs/dbraw/zinc/12/27/36/552122736.db2.gz RPYUYUPNVPNPEW-WBIUFABUSA-N -1 1 357.376 2.237 20 0 FEADMM CC(=O)Nc1ccc(O)c(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000288362944 552140703 /nfs/dbraw/zinc/14/07/03/552140703.db2.gz KTJABSWFZKPTJD-UHFFFAOYSA-N -1 1 353.422 2.307 20 0 FEADMM O=C([C@H]1CC=CC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1)N1CCOCC1 ZINC000289126564 552269845 /nfs/dbraw/zinc/26/98/45/552269845.db2.gz QTQIWURMKHVZGA-KBPBESRZSA-N -1 1 373.384 2.490 20 0 FEADMM CCN1C[C@H](C)N(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C[C@@H]1C ZINC000500407087 561571777 /nfs/dbraw/zinc/57/17/77/561571777.db2.gz KHKLCBDABWNUHZ-KBPBESRZSA-N -1 1 358.442 2.141 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C[C@@H]1C ZINC000500407089 561571844 /nfs/dbraw/zinc/57/18/44/561571844.db2.gz KHKLCBDABWNUHZ-UONOGXRCSA-N -1 1 358.442 2.141 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(C)c2)no1 ZINC000289505298 552332474 /nfs/dbraw/zinc/33/24/74/552332474.db2.gz KISFTHQZJJQICG-SECBINFHSA-N -1 1 360.823 2.002 20 0 FEADMM CCc1cc2c(CN3C[C@H](C)S(=O)(=O)[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000289609084 552349120 /nfs/dbraw/zinc/34/91/20/552349120.db2.gz SAUGMQKAWGCWHM-RYUDHWBXSA-N -1 1 365.451 2.068 20 0 FEADMM CCOc1ncccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289929775 552401161 /nfs/dbraw/zinc/40/11/61/552401161.db2.gz SVDIKOHLOKSYCQ-LLVKDONJSA-N -1 1 374.363 2.403 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3OC(C)(C)C2)o1 ZINC000289945054 552403451 /nfs/dbraw/zinc/40/34/51/552403451.db2.gz AWJCFHCEGIQJDN-UHFFFAOYSA-N -1 1 364.423 2.001 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)[C@H](O)c2ccccc2)c(=O)[n-]1 ZINC000290747497 552530538 /nfs/dbraw/zinc/53/05/38/552530538.db2.gz YBSUBTPVEXOUQR-WBMJQRKESA-N -1 1 361.467 2.383 20 0 FEADMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290778149 552536433 /nfs/dbraw/zinc/53/64/33/552536433.db2.gz PDQLGUFJYMSHJC-UHFFFAOYSA-N -1 1 370.427 2.274 20 0 FEADMM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)o1 ZINC000291845863 552667396 /nfs/dbraw/zinc/66/73/96/552667396.db2.gz CZYGYIPJQSIXEP-UHFFFAOYSA-N -1 1 356.400 2.020 20 0 FEADMM COc1ccc(Br)c([N-]S(=O)(=O)c2cnn(C)c2C)c1 ZINC000291971008 552679991 /nfs/dbraw/zinc/67/99/91/552679991.db2.gz SXBSYNIWPJKETF-UHFFFAOYSA-N -1 1 360.233 2.300 20 0 FEADMM CCOCc1nc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)no1 ZINC000292093584 552692938 /nfs/dbraw/zinc/69/29/38/552692938.db2.gz NZILYYGWFKRSMY-SNVBAGLBSA-N -1 1 363.418 2.199 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1nc(N)c2ccccc2n1 ZINC000292259108 552709961 /nfs/dbraw/zinc/70/99/61/552709961.db2.gz YLNZPSCPSZKHMB-ZYHUDNBSSA-N -1 1 367.375 2.243 20 0 FEADMM C[C@H]1CCN(C(=O)/C=C/c2ccn(C)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000292373760 552720838 /nfs/dbraw/zinc/72/08/38/552720838.db2.gz SFHUYLHHCSNWKF-ZFMVDLLRSA-N -1 1 357.376 2.342 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCC2)c1Cl ZINC000292768834 552756825 /nfs/dbraw/zinc/75/68/25/552756825.db2.gz PYYHDZVRXLKAKV-ZDUSSCGKSA-N -1 1 369.874 2.256 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@@H](CO)O1)c1c(Cl)cccc1C(F)(F)F ZINC000292938342 552772845 /nfs/dbraw/zinc/77/28/45/552772845.db2.gz IJOJJPXTQIVJDF-BDAKNGLRSA-N -1 1 373.780 2.177 20 0 FEADMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)s1 ZINC000293052313 552784286 /nfs/dbraw/zinc/78/42/86/552784286.db2.gz KPBRVGZFLNOZAE-ZETCQYMHSA-N -1 1 368.406 2.286 20 0 FEADMM CCc1nnc(C)cc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000293626335 552841615 /nfs/dbraw/zinc/84/16/15/552841615.db2.gz FAMPYHBLWBDQJI-ZWNOBZJWSA-N -1 1 358.364 2.019 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(=O)c3ccc([O-])cc3)CC[C@@H]21 ZINC000293645609 552843401 /nfs/dbraw/zinc/84/34/01/552843401.db2.gz HSUQOXYUOQMSQK-HOCLYGCPSA-N -1 1 374.437 2.433 20 0 FEADMM CCOCC(C)(C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000293845609 552861710 /nfs/dbraw/zinc/86/17/10/552861710.db2.gz IFGAYJMAWCUXIC-UHFFFAOYSA-N -1 1 358.442 2.417 20 0 FEADMM NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294057129 552878795 /nfs/dbraw/zinc/87/87/95/552878795.db2.gz XLVLIOXCMDQCFP-GOSISDBHSA-N -1 1 359.857 2.390 20 0 FEADMM CCc1nc(C)c(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)o1 ZINC000294156336 552886252 /nfs/dbraw/zinc/88/62/52/552886252.db2.gz VJZICOHTXKXFIM-UHFFFAOYSA-N -1 1 357.414 2.160 20 0 FEADMM O=C(N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)C1(Cc2ccccc2Cl)CC1 ZINC000294284284 552893825 /nfs/dbraw/zinc/89/38/25/552893825.db2.gz GTNRZDCQOYTTSX-ZDUSSCGKSA-N -1 1 360.845 2.480 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1 ZINC000295262892 552978193 /nfs/dbraw/zinc/97/81/93/552978193.db2.gz YHWPXKJZAGKDKM-HNNXBMFYSA-N -1 1 360.435 2.351 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(C1CC1)C1COC1 ZINC000295535801 553022112 /nfs/dbraw/zinc/02/21/12/553022112.db2.gz CCWICZHBKXHXKG-UHFFFAOYSA-N -1 1 372.446 2.491 20 0 FEADMM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000295625342 553035608 /nfs/dbraw/zinc/03/56/08/553035608.db2.gz ZNQGIMKXNAETCZ-ZETCQYMHSA-N -1 1 371.684 2.325 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)co1 ZINC000295690594 553045540 /nfs/dbraw/zinc/04/55/40/553045540.db2.gz ZNJMPFNIFBEFIP-AWEZNQCLSA-N -1 1 370.377 2.273 20 0 FEADMM CC[C@H](CO)N(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000295769064 553056890 /nfs/dbraw/zinc/05/68/90/553056890.db2.gz JMRWCTIKQXSGBB-SNVBAGLBSA-N -1 1 364.320 2.346 20 0 FEADMM O=C(CSC1CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000295873870 553070501 /nfs/dbraw/zinc/07/05/01/553070501.db2.gz XMRCZHDMYDSAJH-UHFFFAOYSA-N -1 1 356.469 2.011 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000296731548 553204150 /nfs/dbraw/zinc/20/41/50/553204150.db2.gz NZRCRFZWPXFREC-UHFFFAOYSA-N -1 1 357.476 2.409 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1c(F)ccc(Br)c1F)c1nn[n-]n1 ZINC000502823706 561626597 /nfs/dbraw/zinc/62/65/97/561626597.db2.gz LZMQSMVXXNICTB-SSDOTTSWSA-N -1 1 374.189 2.045 20 0 FEADMM CCOc1cc(C(=O)[N-]c2cc(C)n3nc(C(F)(F)F)nc3n2)on1 ZINC000298056581 553378077 /nfs/dbraw/zinc/37/80/77/553378077.db2.gz KODGDGKQGWGDER-UHFFFAOYSA-N -1 1 356.264 2.091 20 0 FEADMM CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000298265140 553405637 /nfs/dbraw/zinc/40/56/37/553405637.db2.gz ADMHRKYQCCNACJ-UHFFFAOYSA-N -1 1 365.411 2.119 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@@H](O)C3)cc2)c1 ZINC000298505482 553433532 /nfs/dbraw/zinc/43/35/32/553433532.db2.gz TXKSSBMFILWTJE-CALCHBBNSA-N -1 1 374.462 2.357 20 0 FEADMM Cc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(Br)c1 ZINC000298907386 553488075 /nfs/dbraw/zinc/48/80/75/553488075.db2.gz LKKMFEFMYPAZNH-JTQLQIEISA-N -1 1 365.231 2.189 20 0 FEADMM O=C(c1ccc2c(c1)CCCCC2=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298943779 553493206 /nfs/dbraw/zinc/49/32/06/553493206.db2.gz NLGSRPXZAQEYBN-CQSZACIVSA-N -1 1 354.410 2.027 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2C(=O)[O-])c(F)c1 ZINC000504665545 561660854 /nfs/dbraw/zinc/66/08/54/561660854.db2.gz HSSDWWCNNVSJMH-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM Cc1cc(NC(=O)CN(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)no1 ZINC000301375382 553646554 /nfs/dbraw/zinc/64/65/54/553646554.db2.gz VQPOWCXDNGWEEI-UHFFFAOYSA-N -1 1 368.397 2.232 20 0 FEADMM Cc1nc(-c2ccc(N3CCOCC4(CCOCC4)C3)nc2)[n-]c(=O)c1C ZINC000302137157 553706424 /nfs/dbraw/zinc/70/64/24/553706424.db2.gz IIEMNUOJHJOZLQ-UHFFFAOYSA-N -1 1 370.453 2.494 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@@H](COCC4CC4)C3)nc2)[n-]c(=O)c1C ZINC000302512494 553719753 /nfs/dbraw/zinc/71/97/53/553719753.db2.gz XJXVLDQKVKTVCS-QGZVFWFLSA-N -1 1 370.453 2.493 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000324177296 553771697 /nfs/dbraw/zinc/77/16/97/553771697.db2.gz WMXLBNUGSAEKKB-OAHLLOKOSA-N -1 1 361.225 2.355 20 0 FEADMM COc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc(OC)c1OC ZINC000324693061 553773332 /nfs/dbraw/zinc/77/33/32/553773332.db2.gz RGOCSINNFFMWBC-UHFFFAOYSA-N -1 1 373.408 2.273 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1C(=O)[O-] ZINC000324808302 553773391 /nfs/dbraw/zinc/77/33/91/553773391.db2.gz ROOQRVJNCJWXGI-UHFFFAOYSA-N -1 1 353.400 2.362 20 0 FEADMM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000324999291 553774522 /nfs/dbraw/zinc/77/45/22/553774522.db2.gz YMJQLKBRFDQMCP-UHFFFAOYSA-N -1 1 353.352 2.182 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(O)c1 ZINC000327079773 553785944 /nfs/dbraw/zinc/78/59/44/553785944.db2.gz FXYOLDVYIQDXKN-UHFFFAOYSA-N -1 1 365.363 2.053 20 0 FEADMM COc1ccc(F)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000507000910 561713519 /nfs/dbraw/zinc/71/35/19/561713519.db2.gz FSVTXHYPXYJNNI-UHFFFAOYSA-N -1 1 355.343 2.099 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@@H](C)c2cccc(Br)c2)n1 ZINC000506909957 561711592 /nfs/dbraw/zinc/71/15/92/561711592.db2.gz MJDMDXKTNFLYDL-QMMMGPOBSA-N -1 1 373.228 2.494 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000507978051 561747747 /nfs/dbraw/zinc/74/77/47/561747747.db2.gz FMFMAAFNEGGLQX-UHFFFAOYSA-N -1 1 353.297 2.409 20 0 FEADMM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000330613351 554146100 /nfs/dbraw/zinc/14/61/00/554146100.db2.gz REJTVIHGQDTTGU-GFCCVEGCSA-N -1 1 364.464 2.150 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000330624627 554147123 /nfs/dbraw/zinc/14/71/23/554147123.db2.gz GMXKGKVAIVMJTC-ZJUUUORDSA-N -1 1 366.361 2.347 20 0 FEADMM O=S(=O)([N-]c1nc(Cc2cccc(F)c2)n[nH]1)c1cccc(F)c1 ZINC000508109939 561752205 /nfs/dbraw/zinc/75/22/05/561752205.db2.gz NJTRFOCRJQZRFG-UHFFFAOYSA-N -1 1 350.350 2.475 20 0 FEADMM COc1cc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cc(Cl)c1[O-] ZINC000330879252 554182379 /nfs/dbraw/zinc/18/23/79/554182379.db2.gz MACROYBHVYVZFP-LLVKDONJSA-N -1 1 372.874 2.484 20 0 FEADMM COc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)cc(Cl)c1[O-] ZINC000330885974 554183566 /nfs/dbraw/zinc/18/35/66/554183566.db2.gz REGHSOPQPQBOEN-GFCCVEGCSA-N -1 1 372.874 2.436 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(Oc2ccncc2)c1 ZINC000508374136 561760420 /nfs/dbraw/zinc/76/04/20/561760420.db2.gz FFCAWPHFOKPNQH-UHFFFAOYSA-N -1 1 364.361 2.343 20 0 FEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)CC(F)(F)F)CC1 ZINC000331075357 554209492 /nfs/dbraw/zinc/20/94/92/554209492.db2.gz VRIMBQPBTJSRTE-UHFFFAOYSA-N -1 1 351.394 2.133 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](O)C[C@@H]3C)c2)cc1 ZINC000331575563 554287786 /nfs/dbraw/zinc/28/77/86/554287786.db2.gz ABYJYVCOUZSLAB-YOEHRIQHSA-N -1 1 374.462 2.391 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)C[C@@H]3C)c2)cc1 ZINC000331575562 554288132 /nfs/dbraw/zinc/28/81/32/554288132.db2.gz ABYJYVCOUZSLAB-WMLDXEAASA-N -1 1 374.462 2.391 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cc(F)c[nH]3)c2)n1 ZINC000509228526 561791352 /nfs/dbraw/zinc/79/13/52/561791352.db2.gz VUXGXCIBBBBBRF-UHFFFAOYSA-N -1 1 357.345 2.046 20 0 FEADMM COc1ccc(C(=O)CCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000509296012 561793963 /nfs/dbraw/zinc/79/39/63/561793963.db2.gz JHBWHDBUMIQLSB-UHFFFAOYSA-N -1 1 359.382 2.153 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)[C@@H](O)C3)c2)cc1 ZINC000509342878 561795698 /nfs/dbraw/zinc/79/56/98/561795698.db2.gz NPGWOHZUEFVDDJ-KDOFPFPSSA-N -1 1 374.462 2.249 20 0 FEADMM COc1cc(O)cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000509524293 561803788 /nfs/dbraw/zinc/80/37/88/561803788.db2.gz MJUNHYMFRYCKCO-UHFFFAOYSA-N -1 1 366.377 2.448 20 0 FEADMM COC(=O)[C@@H](CN=c1nc([C@H](C)OC)[n-]s1)Cc1ccccc1OC ZINC000509568317 561805474 /nfs/dbraw/zinc/80/54/74/561805474.db2.gz JMMQLMWSAVAADW-WCQYABFASA-N -1 1 365.455 2.120 20 0 FEADMM CO[C@H](C)c1nc(=NC2CCN(C(=O)CC(F)(F)F)CC2)s[n-]1 ZINC000509693904 561810718 /nfs/dbraw/zinc/81/07/18/561810718.db2.gz RNIIUERRJHIBNE-MRVPVSSYSA-N -1 1 352.382 2.023 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)c1C ZINC000332202518 554400382 /nfs/dbraw/zinc/40/03/82/554400382.db2.gz XRLYBMWVBDINTA-UHFFFAOYSA-N -1 1 362.455 2.380 20 0 FEADMM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1cccc(F)c1F ZINC000509818120 561815003 /nfs/dbraw/zinc/81/50/03/561815003.db2.gz FANMEQAKCFQBFU-UHFFFAOYSA-N -1 1 357.334 2.051 20 0 FEADMM CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000509923048 561818590 /nfs/dbraw/zinc/81/85/90/561818590.db2.gz DFIKPMVTMKUCIC-INIZCTEOSA-N -1 1 369.421 2.279 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000531010342 562431870 /nfs/dbraw/zinc/43/18/70/562431870.db2.gz ZAIRMZOXYOUSEX-ZIAGYGMSSA-N -1 1 350.440 2.358 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)Cn2cc(-c3ccccc3)c(C)n2)n1 ZINC000509988412 561821063 /nfs/dbraw/zinc/82/10/63/561821063.db2.gz XKDYPZWGOSMVBZ-UHFFFAOYSA-N -1 1 353.382 2.397 20 0 FEADMM Cc1cc(C)n2nc(CC(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)nc2n1 ZINC000510070410 561823840 /nfs/dbraw/zinc/82/38/40/561823840.db2.gz KLAPPTMVTQSYLG-UHFFFAOYSA-N -1 1 363.381 2.018 20 0 FEADMM O=S(=O)([N-]CCC1(O)CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000510450826 561835061 /nfs/dbraw/zinc/83/50/61/561835061.db2.gz XXMMSOILSMPWOA-UHFFFAOYSA-N -1 1 372.245 2.342 20 0 FEADMM Cc1cnc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000332553737 554470116 /nfs/dbraw/zinc/47/01/16/554470116.db2.gz LZBYLXZXYCGMSG-UHFFFAOYSA-N -1 1 357.385 2.269 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)n1 ZINC000332603262 554481545 /nfs/dbraw/zinc/48/15/45/554481545.db2.gz IFHBQBUXMZZLIY-JQWIXIFHSA-N -1 1 352.460 2.241 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCC[C@@H](C(=O)NC(C)C)C3)cnc2n1 ZINC000332636774 554488350 /nfs/dbraw/zinc/48/83/50/554488350.db2.gz UZVQQYCRXKFYOW-KGLIPLIRSA-N -1 1 370.453 2.457 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCC[C@@H](C(=O)NC(C)C)C1)c2=O ZINC000332636774 554488352 /nfs/dbraw/zinc/48/83/52/554488352.db2.gz UZVQQYCRXKFYOW-KGLIPLIRSA-N -1 1 370.453 2.457 20 0 FEADMM CC[C@]([N-]S(=O)(=O)[C@@H](C)COC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510471604 561835841 /nfs/dbraw/zinc/83/58/41/561835841.db2.gz JMGKWDWHMHBWBY-XHDPSFHLSA-N -1 1 363.863 2.073 20 0 FEADMM COc1cc(C(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc(Cl)c1[O-] ZINC000333209644 554589352 /nfs/dbraw/zinc/58/93/52/554589352.db2.gz BGIJLKYCQBRPJY-DIFFPNOSSA-N -1 1 355.818 2.464 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2N2CCOCC2)sc1C ZINC000333255260 554595026 /nfs/dbraw/zinc/59/50/26/554595026.db2.gz LBMOOJXNFKCQSP-UHFFFAOYSA-N -1 1 367.496 2.075 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)[C@@]12CCCO2 ZINC000333273115 554597304 /nfs/dbraw/zinc/59/73/04/554597304.db2.gz CVFDYNBBWGOVQY-LOWVWBTDSA-N -1 1 351.877 2.406 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCOCC2)C1)c1sccc1Cl ZINC000333480507 554617401 /nfs/dbraw/zinc/61/74/01/554617401.db2.gz XUTCXILDEAYUNI-SNVBAGLBSA-N -1 1 351.877 2.408 20 0 FEADMM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000511002747 561853469 /nfs/dbraw/zinc/85/34/69/561853469.db2.gz NMBFTPZADVUVSW-VIFPVBQESA-N -1 1 354.369 2.396 20 0 FEADMM CC(C)N1C[C@@H](c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CC1=O ZINC000349743922 554740359 /nfs/dbraw/zinc/74/03/59/554740359.db2.gz HJVQSBUPOYJWHL-ZDUSSCGKSA-N -1 1 365.393 2.415 20 0 FEADMM CC(C)(C)N=c1[n-]nc([C@@H]2OCC[C@@H]2Cn2cccn2)n1C[C@@H]1CCOC1 ZINC000612173335 554745362 /nfs/dbraw/zinc/74/53/62/554745362.db2.gz WWAHKFBJJHADLV-ARFHVFGLSA-N -1 1 374.489 2.499 20 0 FEADMM Cc1oc(S(=O)(=O)N(C)C)cc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350812738 554815231 /nfs/dbraw/zinc/81/52/31/554815231.db2.gz MHXUWYAALFCGMF-UHFFFAOYSA-N -1 1 367.358 2.400 20 0 FEADMM CCS(=O)(=O)N1CCC(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000350838838 554816984 /nfs/dbraw/zinc/81/69/84/554816984.db2.gz PXFRWHJYSBYFCM-UHFFFAOYSA-N -1 1 355.391 2.110 20 0 FEADMM CNS(=O)(=O)c1csc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350841861 554817277 /nfs/dbraw/zinc/81/72/77/554817277.db2.gz XEPPTQPJTDJAAP-UHFFFAOYSA-N -1 1 355.372 2.218 20 0 FEADMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000511399337 561868025 /nfs/dbraw/zinc/86/80/25/561868025.db2.gz PCSKKSPAWQJTHT-UHFFFAOYSA-N -1 1 364.320 2.439 20 0 FEADMM O=c1cc(CN2CCN(c3ccc(F)cn3)CC2)c2ccc([O-])cc2o1 ZINC000362490167 554975276 /nfs/dbraw/zinc/97/52/76/554975276.db2.gz ZDTOYTBVFZOJSL-UHFFFAOYSA-N -1 1 355.369 2.355 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362780222 554988163 /nfs/dbraw/zinc/98/81/63/554988163.db2.gz DOCQVZJWFMYJEN-AWEZNQCLSA-N -1 1 351.414 2.022 20 0 FEADMM CC(C)(C)OC(=O)N1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000362963124 555003446 /nfs/dbraw/zinc/00/34/46/555003446.db2.gz ZEMNFASHYIQLHU-UHFFFAOYSA-N -1 1 372.425 2.006 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3cccc(F)c3)CC2)co1 ZINC000363168450 555044425 /nfs/dbraw/zinc/04/44/25/555044425.db2.gz YLPDXNJXMHSDNT-UHFFFAOYSA-N -1 1 364.398 2.256 20 0 FEADMM COc1cc(C)cc2c1OCC[C@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000363196753 555051065 /nfs/dbraw/zinc/05/10/65/555051065.db2.gz VITAUZNJEHQWBM-OAHLLOKOSA-N -1 1 365.389 2.494 20 0 FEADMM Cc1ncc(CN2CC[C@@H](NC(=O)N=c3[n-]nc(C)s3)[C@@H](C)C2)s1 ZINC000363248320 555063055 /nfs/dbraw/zinc/06/30/55/555063055.db2.gz DVPUMQBEEHVMBB-TVQRCGJNSA-N -1 1 366.516 2.644 20 0 FEADMM CCN(Cc1ccc(OC)cc1OC)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000511969849 561887362 /nfs/dbraw/zinc/88/73/62/561887362.db2.gz DUGJAVCLJIZATB-UHFFFAOYSA-N -1 1 370.409 2.353 20 0 FEADMM COc1ccc(C[C@@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000512034077 561889790 /nfs/dbraw/zinc/88/97/90/561889790.db2.gz QVBYHFSUYKTALJ-LLVKDONJSA-N -1 1 370.409 2.052 20 0 FEADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000363779030 555184230 /nfs/dbraw/zinc/18/42/30/555184230.db2.gz ZISXEESMYVRPRG-AWEZNQCLSA-N -1 1 355.394 2.348 20 0 FEADMM O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364058592 555242580 /nfs/dbraw/zinc/24/25/80/555242580.db2.gz WMNUUSDKOVXTDU-QAPCUYQASA-N -1 1 368.433 2.445 20 0 FEADMM O=C(N=c1ccc([O-])n[nH]1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000364309261 555288889 /nfs/dbraw/zinc/28/88/89/555288889.db2.gz PLZWCEBRAXSRCV-MRXNPFEDSA-N -1 1 361.357 2.889 20 0 FEADMM O=C(N=c1ccc(O)n[n-]1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000364309261 555288890 /nfs/dbraw/zinc/28/88/90/555288890.db2.gz PLZWCEBRAXSRCV-MRXNPFEDSA-N -1 1 361.357 2.889 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1)c1nc(-c2ccncc2)no1 ZINC000364506020 555325861 /nfs/dbraw/zinc/32/58/61/555325861.db2.gz SCOQXDQXSFOZHF-CQSZACIVSA-N -1 1 359.411 2.202 20 0 FEADMM CNS(=O)(=O)c1cccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000617365546 555426999 /nfs/dbraw/zinc/42/69/99/555426999.db2.gz TYVJWIMBPBKCGJ-UHFFFAOYSA-N -1 1 362.436 2.299 20 0 FEADMM COc1cc(C)cc2c1OCC[C@@H]2[N-]S(=O)(=O)c1c(C)noc1C ZINC000365107084 555486836 /nfs/dbraw/zinc/48/68/36/555486836.db2.gz YAJKUEWHGMKIJW-ZDUSSCGKSA-N -1 1 352.412 2.411 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-c3ncn(C)n3)cc1)OCO2 ZINC000365427015 555572704 /nfs/dbraw/zinc/57/27/04/555572704.db2.gz ZDJZUVYBFKJCMO-UHFFFAOYSA-N -1 1 372.406 2.320 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000365674256 555637541 /nfs/dbraw/zinc/63/75/41/555637541.db2.gz SUESXIKLOQUANK-XHDPSFHLSA-N -1 1 356.825 2.415 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ocnc1C1CC1 ZINC000365892187 555694118 /nfs/dbraw/zinc/69/41/18/555694118.db2.gz UYRXWHIUYRYKMO-GFCCVEGCSA-N -1 1 362.752 2.377 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c1 ZINC000513793583 561950154 /nfs/dbraw/zinc/95/01/54/561950154.db2.gz AWBKDAZCYYMUAS-UHFFFAOYSA-N -1 1 359.787 2.077 20 0 FEADMM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000366394543 555832558 /nfs/dbraw/zinc/83/25/58/555832558.db2.gz FEIOPIXXMSDZHL-GFCCVEGCSA-N -1 1 371.441 2.413 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000366464762 555851567 /nfs/dbraw/zinc/85/15/67/555851567.db2.gz WCHMILURAWOCJZ-GFCCVEGCSA-N -1 1 352.369 2.071 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000366908557 555966424 /nfs/dbraw/zinc/96/64/24/555966424.db2.gz DKZTYVOPWOKGPE-IRWJRLHMSA-N -1 1 355.438 2.325 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(NS(C)(=O)=O)ccc2C)c1 ZINC000514644274 561971460 /nfs/dbraw/zinc/97/14/60/561971460.db2.gz ISCWZXOGVJIQDP-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCCOCC2)c1)OCC(F)(F)F ZINC000367447826 556052166 /nfs/dbraw/zinc/05/21/66/556052166.db2.gz GXOOBDPKWOVIEU-UHFFFAOYSA-N -1 1 362.304 2.366 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367615137 556097612 /nfs/dbraw/zinc/09/76/12/556097612.db2.gz KAKAXYCMRUPBLF-CVEARBPZSA-N -1 1 363.417 2.161 20 0 FEADMM CN(C)c1noc([C@H]2CCCN(C(=O)c3c(F)ccc([O-])c3F)C2)n1 ZINC000368135890 556227329 /nfs/dbraw/zinc/22/73/29/556227329.db2.gz SGOQALVPJDJNST-VIFPVBQESA-N -1 1 352.341 2.139 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1c(F)ccc([O-])c1F)Cc1ccc(O)cc1 ZINC000515093427 561996182 /nfs/dbraw/zinc/99/61/82/561996182.db2.gz KSJDOVVTLIBFPL-NSHDSACASA-N -1 1 365.332 2.138 20 0 FEADMM 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562190199 /nfs/dbraw/zinc/19/01/99/562190199.db2.gz UVZHNBMFDTWLGP-UHFFFAOYSA-N -1 1 362.349 2.376 20 0 FEADMM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377586220 558371427 /nfs/dbraw/zinc/37/14/27/558371427.db2.gz SROJEKMBUVJKTK-ZIAGYGMSSA-N -1 1 357.458 2.264 20 0 FEADMM O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000377597814 558374061 /nfs/dbraw/zinc/37/40/61/558374061.db2.gz DLDMGYWPPMCHNU-ZDUSSCGKSA-N -1 1 370.240 2.429 20 0 FEADMM CN(C)c1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ncn1 ZINC000377806310 558423774 /nfs/dbraw/zinc/42/37/74/558423774.db2.gz DHUMQQUDCPQLPM-UHFFFAOYSA-N -1 1 369.425 2.375 20 0 FEADMM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N[C@@H]2CCc3nc[nH]c3C2)s1 ZINC000377807431 558423857 /nfs/dbraw/zinc/42/38/57/558423857.db2.gz RAUCRARYQYHQGE-LLVKDONJSA-N -1 1 372.429 3.055 20 0 FEADMM COc1ccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1 ZINC000377839017 558432710 /nfs/dbraw/zinc/43/27/10/558432710.db2.gz FKOLKXOSBSILFY-IINYFYTJSA-N -1 1 351.428 2.346 20 0 FEADMM COc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1C ZINC000377897735 558443761 /nfs/dbraw/zinc/44/37/61/558443761.db2.gz CINJDWGJZQGHDS-ZDUSSCGKSA-N -1 1 351.428 2.408 20 0 FEADMM Cc1noc2nc(C(C)C)cc(C(=O)NC3(c4nn[n-]n4)CCCC3)c12 ZINC000522929940 562206199 /nfs/dbraw/zinc/20/61/99/562206199.db2.gz HBCBJCPHIZWCAP-UHFFFAOYSA-N -1 1 355.402 2.367 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3O[C@@H]2C)o1 ZINC000378165380 558494686 /nfs/dbraw/zinc/49/46/86/558494686.db2.gz YVPIJXWLNWUCQA-AMIZOPFISA-N -1 1 355.343 2.006 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000378381637 558544678 /nfs/dbraw/zinc/54/46/78/558544678.db2.gz VXRRCDSIKRPKBD-CJNGLKHVSA-N -1 1 365.407 2.122 20 0 FEADMM Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cncc([O-])c3)no2)cn1 ZINC000378545290 558579729 /nfs/dbraw/zinc/57/97/29/558579729.db2.gz BDZHBJYCTFLRJY-HNNXBMFYSA-N -1 1 368.397 2.328 20 0 FEADMM CO[C@@H](CNC(=O)c1cc(I)ccc1[O-])C(C)C ZINC000381265787 558603459 /nfs/dbraw/zinc/60/34/59/558603459.db2.gz GGZDVCCJMJFBLU-LBPRGKRZSA-N -1 1 363.195 2.398 20 0 FEADMM O=C(N[C@H]1CC12CCOCC2)c1cc(I)ccc1[O-] ZINC000387035385 558607557 /nfs/dbraw/zinc/60/75/57/558607557.db2.gz QSZSPNPICKGSAZ-LBPRGKRZSA-N -1 1 373.190 2.296 20 0 FEADMM O=C(NCc1ccc(=O)[nH]c1)c1ccc(I)c([O-])c1 ZINC000392836017 558619569 /nfs/dbraw/zinc/61/95/69/558619569.db2.gz JPMKMSXUVVFJAK-UHFFFAOYSA-N -1 1 370.146 2.027 20 0 FEADMM O=C(NC1CCCCC1)N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000408098646 558646274 /nfs/dbraw/zinc/64/62/74/558646274.db2.gz GTSGPOGQQIGWEU-UHFFFAOYSA-N -1 1 367.396 2.471 20 0 FEADMM COCCc1ccc(OCCCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000524574571 562230447 /nfs/dbraw/zinc/23/04/47/562230447.db2.gz SCAXQVFELGORQQ-UHFFFAOYSA-N -1 1 373.457 2.133 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1C ZINC000524640505 562231524 /nfs/dbraw/zinc/23/15/24/562231524.db2.gz LWKCKYIUJJZQHM-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM Cc1noc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000524655473 562231774 /nfs/dbraw/zinc/23/17/74/562231774.db2.gz TWKVODRCLUGEAH-UHFFFAOYSA-N -1 1 372.406 2.109 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cccc(Br)c1Cl ZINC000410284399 558749705 /nfs/dbraw/zinc/74/97/05/558749705.db2.gz ISEQLLQFJOKTLN-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000410281229 558749775 /nfs/dbraw/zinc/74/97/75/558749775.db2.gz GKEMYAPVJAWQHF-GFCCVEGCSA-N -1 1 352.394 2.637 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000410292261 558750196 /nfs/dbraw/zinc/75/01/96/558750196.db2.gz SFEAZOFFKUFJSA-UHFFFAOYSA-N -1 1 355.423 2.762 20 0 FEADMM COc1cc(NC(=O)N2CCCSCC2)ccc1[N-]S(C)(=O)=O ZINC000525415926 562247711 /nfs/dbraw/zinc/24/77/11/562247711.db2.gz CQQHGXZTRZHEKX-UHFFFAOYSA-N -1 1 359.473 2.038 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C[C@@H](C)O1 ZINC000525414093 562247774 /nfs/dbraw/zinc/24/77/74/562247774.db2.gz RPFMJGKOIRZYDR-DGCLKSJQSA-N -1 1 371.459 2.098 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1 ZINC000412251279 559022881 /nfs/dbraw/zinc/02/28/81/559022881.db2.gz WFMSZQFQJROMEO-LLVKDONJSA-N -1 1 358.236 2.485 20 0 FEADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000412259077 559023240 /nfs/dbraw/zinc/02/32/40/559023240.db2.gz PVUJPDULHXSBCU-VHSXEESVSA-N -1 1 364.789 2.359 20 0 FEADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000412259077 559023241 /nfs/dbraw/zinc/02/32/41/559023241.db2.gz PVUJPDULHXSBCU-VHSXEESVSA-N -1 1 364.789 2.359 20 0 FEADMM CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@H](C)O ZINC000412375406 559031899 /nfs/dbraw/zinc/03/18/99/559031899.db2.gz GMBJTLJUXGPZFU-DOPJRALCSA-N -1 1 370.449 2.426 20 0 FEADMM CO[C@](C)([C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C1CC1 ZINC000412618072 559046834 /nfs/dbraw/zinc/04/68/34/559046834.db2.gz SYORRRKGGTXZSJ-BFUOFWGJSA-N -1 1 360.458 2.304 20 0 FEADMM C[C@@H]1C[C@H](O)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000412762928 559054897 /nfs/dbraw/zinc/05/48/97/559054897.db2.gz DLSODYRORCJQOJ-PBHICJAKSA-N -1 1 374.462 2.330 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)c1C ZINC000526119814 562267552 /nfs/dbraw/zinc/26/75/52/562267552.db2.gz JMTSIOFUXDLXFB-UHFFFAOYSA-N -1 1 353.444 2.415 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000414382440 559160058 /nfs/dbraw/zinc/16/00/58/559160058.db2.gz KZWUXNGWQJPPAR-UHFFFAOYSA-N -1 1 359.444 2.176 20 0 FEADMM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1 ZINC000414455138 559164934 /nfs/dbraw/zinc/16/49/34/559164934.db2.gz RNTOYZFJHPMBGC-SSDOTTSWSA-N -1 1 358.769 2.237 20 0 FEADMM CN(C)c1ccccc1CN[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414647387 559176924 /nfs/dbraw/zinc/17/69/24/559176924.db2.gz BZNYUANOBHKYAE-IEBWSBKVSA-N -1 1 367.449 2.269 20 0 FEADMM COc1cc(F)cc(CN[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414653085 559177432 /nfs/dbraw/zinc/17/74/32/559177432.db2.gz HMOZKUOLORLQIB-QZTJIDSGSA-N -1 1 372.396 2.351 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2cc(O)cc(C(F)(F)F)c2)C1=O ZINC000414668812 559178686 /nfs/dbraw/zinc/17/86/86/559178686.db2.gz XQKSLCFKEIBGAS-KBPBESRZSA-N -1 1 374.359 2.211 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)n1 ZINC000415652816 559258336 /nfs/dbraw/zinc/25/83/36/559258336.db2.gz WFOGKWDXMNKJME-LJQANCHMSA-N -1 1 370.409 2.220 20 0 FEADMM CC[C@@H](C)[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1nc2ccccc2[nH]1 ZINC000416133744 559293545 /nfs/dbraw/zinc/29/35/45/559293545.db2.gz MKXFWOGBQZZKNL-BXKDBHETSA-N -1 1 371.397 2.290 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCCCOC1CCCCC1 ZINC000416155119 559295138 /nfs/dbraw/zinc/29/51/38/559295138.db2.gz CJIWSGGOGXABRS-UHFFFAOYSA-N -1 1 353.419 2.146 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)C ZINC000416190768 559297420 /nfs/dbraw/zinc/29/74/20/559297420.db2.gz MCWOWIJMLPDSOD-LLVKDONJSA-N -1 1 353.325 2.302 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)c1ccccc1 ZINC000416412871 559311303 /nfs/dbraw/zinc/31/13/03/559311303.db2.gz OEKMNKWOSOWPHA-OAHLLOKOSA-N -1 1 365.455 2.126 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)nc2)cc1C ZINC000416421906 559311849 /nfs/dbraw/zinc/31/18/49/559311849.db2.gz GSPDVMFEUOYLJO-UHFFFAOYSA-N -1 1 363.439 2.491 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)CC(F)(F)F ZINC000416584148 559323258 /nfs/dbraw/zinc/32/32/58/559323258.db2.gz AONWCHOFOBIOJW-QMMMGPOBSA-N -1 1 359.395 2.358 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@@H]1CCCOC1)c1cc(Cl)sc1Cl ZINC000416621015 559325673 /nfs/dbraw/zinc/32/56/73/559325673.db2.gz YREHUPQPLDRGKI-HTQZYQBOSA-N -1 1 360.284 2.121 20 0 FEADMM Cc1nn(C)c2ncc(CN[C@@]3(C(=O)[O-])CCOc4ccccc43)cc12 ZINC000417570474 559367159 /nfs/dbraw/zinc/36/71/59/559367159.db2.gz RXVZIHLQLMJMIO-IBGZPJMESA-N -1 1 352.394 2.129 20 0 FEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000417602022 559369055 /nfs/dbraw/zinc/36/90/55/559369055.db2.gz TYEXMVMTKKJUEM-KRWDZBQOSA-N -1 1 357.389 2.277 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(C)cc1C ZINC000527277789 562283649 /nfs/dbraw/zinc/28/36/49/562283649.db2.gz YIZRITHMQWBKCK-UHFFFAOYSA-N -1 1 362.407 2.444 20 0 FEADMM COc1ccc(-c2n[n-]c(=NC[C@H]3CN(CC(C)C)CCO3)s2)cc1 ZINC000420582530 559492859 /nfs/dbraw/zinc/49/28/59/559492859.db2.gz JKVIJQNYFQMFRQ-INIZCTEOSA-N -1 1 362.499 2.982 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cnccc1-n1cc(C)cn1 ZINC000421233091 559532710 /nfs/dbraw/zinc/53/27/10/559532710.db2.gz LPZNJLDQRCLIOR-AWEZNQCLSA-N -1 1 352.460 2.379 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)[C@@H]1C(=O)[O-] ZINC000424365695 559662090 /nfs/dbraw/zinc/66/20/90/559662090.db2.gz HMAWKXUVOKOQPW-UFBFGSQYSA-N -1 1 367.345 2.285 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000424391433 559662726 /nfs/dbraw/zinc/66/27/26/559662726.db2.gz QKXGPLLLNFBAHY-CABCVRRESA-N -1 1 351.447 2.463 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000424392493 559662874 /nfs/dbraw/zinc/66/28/74/559662874.db2.gz JTWGGMMYRCYRBS-HOCLYGCPSA-N -1 1 353.438 2.475 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000425010308 559683555 /nfs/dbraw/zinc/68/35/55/559683555.db2.gz QHDOVYDZMJHFOR-HNAYVOBHSA-N -1 1 354.385 2.348 20 0 FEADMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)C1(C)C ZINC000425175308 559689565 /nfs/dbraw/zinc/68/95/65/559689565.db2.gz IHRAXYRPOYLMOU-CJNGLKHVSA-N -1 1 363.426 2.118 20 0 FEADMM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425178757 559689693 /nfs/dbraw/zinc/68/96/93/559689693.db2.gz SBJGCFTXCHBCOW-KBPBESRZSA-N -1 1 371.409 2.298 20 0 FEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2F)s1 ZINC000425208559 559691329 /nfs/dbraw/zinc/69/13/29/559691329.db2.gz SAYRRKLPIGMZBS-QMMMGPOBSA-N -1 1 374.415 2.117 20 0 FEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2F)s1 ZINC000425208558 559691457 /nfs/dbraw/zinc/69/14/57/559691457.db2.gz SAYRRKLPIGMZBS-MRVPVSSYSA-N -1 1 374.415 2.117 20 0 FEADMM CC(C)C[C@@H](CN=c1ccc(C(=O)N(C)C)n[n-]1)C(=O)OC(C)(C)C ZINC000425271386 559694306 /nfs/dbraw/zinc/69/43/06/559694306.db2.gz YDXRUPFCKJNMEB-ZDUSSCGKSA-N -1 1 350.463 2.594 20 0 FEADMM CC(C)C[C@H](CN=c1ccc(C(=O)N(C)C)n[n-]1)C(=O)OC(C)(C)C ZINC000425271384 559694343 /nfs/dbraw/zinc/69/43/43/559694343.db2.gz YDXRUPFCKJNMEB-CYBMUJFWSA-N -1 1 350.463 2.594 20 0 FEADMM C[C@@H]1CCN(c2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)ccn2)C1 ZINC000425304259 559695602 /nfs/dbraw/zinc/69/56/02/559695602.db2.gz PWLFFINXEMOLRA-TZMCWYRMSA-N -1 1 357.414 2.036 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)cn1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425303931 559695700 /nfs/dbraw/zinc/69/57/00/559695700.db2.gz PLPDHTZDNUDLQX-SECBINFHSA-N -1 1 372.303 2.131 20 0 FEADMM CC(C)(C)c1nnc2ccc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cn21 ZINC000425316017 559696219 /nfs/dbraw/zinc/69/62/19/559696219.db2.gz BWOFFRCAQDHXKC-UHFFFAOYSA-N -1 1 370.413 2.135 20 0 FEADMM O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425325750 559696818 /nfs/dbraw/zinc/69/68/18/559696818.db2.gz SRSQLBCFKAORAF-LIRRHRJNSA-N -1 1 355.394 2.222 20 0 FEADMM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425325248 559696824 /nfs/dbraw/zinc/69/68/24/559696824.db2.gz RRYVAVZKTQXSNN-OAHLLOKOSA-N -1 1 367.409 2.427 20 0 FEADMM O=C(c1nc(C2CC2)n2ccccc12)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425325250 559696942 /nfs/dbraw/zinc/69/69/42/559696942.db2.gz RTEDTQSQUXGOCU-UHFFFAOYSA-N -1 1 353.382 2.320 20 0 FEADMM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000425487545 559705029 /nfs/dbraw/zinc/70/50/29/559705029.db2.gz YYQUJPNRKWGBMX-HNNXBMFYSA-N -1 1 360.458 2.499 20 0 FEADMM CCCCCc1n[n-]c(=NC(=O)N2CCN(C(C)(C)COC)CC2)s1 ZINC000425617557 559711711 /nfs/dbraw/zinc/71/17/11/559711711.db2.gz CDJKRDLACZOZAQ-UHFFFAOYSA-N -1 1 369.535 2.845 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccc(C)cc1 ZINC000425913046 559725067 /nfs/dbraw/zinc/72/50/67/559725067.db2.gz BYGPPCAYSLGDQN-AWEZNQCLSA-N -1 1 359.451 2.712 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1C(N)=O ZINC000426006601 559727369 /nfs/dbraw/zinc/72/73/69/559727369.db2.gz XFPDQGCFNZLWSL-UHFFFAOYSA-N -1 1 374.418 2.114 20 0 FEADMM Cc1cnc(C(=O)NCc2cn3cc(Br)ccc3n2)c([O-])c1 ZINC000426653103 559739516 /nfs/dbraw/zinc/73/95/16/559739516.db2.gz YNLPWAUGDTVTNQ-UHFFFAOYSA-N -1 1 361.199 2.436 20 0 FEADMM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000427232103 559750999 /nfs/dbraw/zinc/75/09/99/559750999.db2.gz ZSQNULPTAQKDJV-LBPRGKRZSA-N -1 1 373.375 2.440 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)ccc2F)cnc1C ZINC000427265148 559751812 /nfs/dbraw/zinc/75/18/12/559751812.db2.gz AQSZHMPJBUEKPQ-UHFFFAOYSA-N -1 1 354.359 2.125 20 0 FEADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 ZINC000427630842 559759319 /nfs/dbraw/zinc/75/93/19/559759319.db2.gz ONGMOVZGHQBCNN-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1CCO ZINC000428588694 559779057 /nfs/dbraw/zinc/77/90/57/559779057.db2.gz KPWRGUYVLAHOGH-QGZVFWFLSA-N -1 1 374.462 2.474 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)no1 ZINC000429250562 559793936 /nfs/dbraw/zinc/79/39/36/559793936.db2.gz AVPVLGRJXXNORJ-UHFFFAOYSA-N -1 1 369.418 2.169 20 0 FEADMM CCCc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1-c1ccc(C)cc1 ZINC000430314768 559817631 /nfs/dbraw/zinc/81/76/31/559817631.db2.gz ZWCJZFPCMQJGTA-UHFFFAOYSA-N -1 1 351.414 2.065 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc(OC)c1C ZINC000431154595 559835014 /nfs/dbraw/zinc/83/50/14/559835014.db2.gz WPZUUAZHHBNSLS-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM Cc1ccc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1C(=O)[O-] ZINC000431520459 559840714 /nfs/dbraw/zinc/84/07/14/559840714.db2.gz QZPLHXJSABBKNR-UHFFFAOYSA-N -1 1 366.370 2.456 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000431842646 559847071 /nfs/dbraw/zinc/84/70/71/559847071.db2.gz UMRVCMQYLLOUNB-UHFFFAOYSA-N -1 1 368.422 2.433 20 0 FEADMM NC(=O)c1csc(=N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[n-]1 ZINC000432154026 559853078 /nfs/dbraw/zinc/85/30/78/559853078.db2.gz NYZZQQBHUCHMNL-SECBINFHSA-N -1 1 371.249 2.766 20 0 FEADMM COc1ccc(NC(=O)[C@H]2CCC[C@H](OC)C2)cc1[N-]S(C)(=O)=O ZINC000432407934 559858156 /nfs/dbraw/zinc/85/81/56/559858156.db2.gz QNJSFFZIMWXUPM-AAEUAGOBSA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000432669268 559862803 /nfs/dbraw/zinc/86/28/03/559862803.db2.gz PZENBHHDMQEUKW-UHFFFAOYSA-N -1 1 363.370 2.195 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ncc(Cl)cn3)c2)n1 ZINC000432935761 559868129 /nfs/dbraw/zinc/86/81/29/559868129.db2.gz AYZFBWVNTHKFSU-UHFFFAOYSA-N -1 1 358.789 2.704 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1C(=O)N(C)C ZINC000433491175 559882967 /nfs/dbraw/zinc/88/29/67/559882967.db2.gz MGTNYBQGDDEDBK-UHFFFAOYSA-N -1 1 368.436 2.257 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC000433505698 559883284 /nfs/dbraw/zinc/88/32/84/559883284.db2.gz BSLKIHAVAZRJAR-GOSISDBHSA-N -1 1 373.434 2.104 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000435468364 559923789 /nfs/dbraw/zinc/92/37/89/559923789.db2.gz OOHXXFKWZGFSEH-UHFFFAOYSA-N -1 1 354.472 2.094 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cn1C ZINC000435733622 559929070 /nfs/dbraw/zinc/92/90/70/559929070.db2.gz UHNHFQZQBAZREQ-UHFFFAOYSA-N -1 1 352.412 2.238 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)c1 ZINC000436149904 559936128 /nfs/dbraw/zinc/93/61/28/559936128.db2.gz FHONAZURCYPQKN-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000436154770 559936252 /nfs/dbraw/zinc/93/62/52/559936252.db2.gz OOANEAQQFOTYTJ-UHFFFAOYSA-N -1 1 367.354 2.184 20 0 FEADMM COC(=O)c1cccc(F)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000436175840 559936693 /nfs/dbraw/zinc/93/66/93/559936693.db2.gz BFWDPQBADHDNFT-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)NC)c2)cc1 ZINC000436480370 559942513 /nfs/dbraw/zinc/94/25/13/559942513.db2.gz VSVPQVFLYSFZOQ-UHFFFAOYSA-N -1 1 366.464 2.347 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)c1 ZINC000436515141 559943816 /nfs/dbraw/zinc/94/38/16/559943816.db2.gz RNVUGTUXZSWWHU-AWEZNQCLSA-N -1 1 365.430 2.240 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1cc(F)ccc1[O-])Cc1ccccc1OC ZINC000436516410 559944142 /nfs/dbraw/zinc/94/41/42/559944142.db2.gz UNNGUROVJUAHMN-CYBMUJFWSA-N -1 1 361.369 2.302 20 0 FEADMM CC(C)C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)N=c1cc[nH][nH]1 ZINC000436567597 559945569 /nfs/dbraw/zinc/94/55/69/559945569.db2.gz OSTGKEBOIXEPAY-INIZCTEOSA-N -1 1 366.421 3.052 20 0 FEADMM CCOC(=O)COc1ccc(CCNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436570979 559945628 /nfs/dbraw/zinc/94/56/28/559945628.db2.gz UGSSRZZHNNOTHI-UHFFFAOYSA-N -1 1 361.369 2.446 20 0 FEADMM COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436569016 559945646 /nfs/dbraw/zinc/94/56/46/559945646.db2.gz YVHATIDKUDODPO-UHFFFAOYSA-N -1 1 360.341 2.077 20 0 FEADMM CCC(CC)n1nccc1C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000436622487 559946746 /nfs/dbraw/zinc/94/67/46/559946746.db2.gz ZNTICPCHTOOULS-UHFFFAOYSA-N -1 1 366.443 2.110 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(Br)ccc1[O-] ZINC000436657640 559947931 /nfs/dbraw/zinc/94/79/31/559947931.db2.gz JQSYKOSLDILTPU-QMMMGPOBSA-N -1 1 370.121 2.379 20 0 FEADMM O=C(NCCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1[O-] ZINC000436664483 559948289 /nfs/dbraw/zinc/94/82/89/559948289.db2.gz OOBSDBZOPLFSTP-UHFFFAOYSA-N -1 1 358.781 2.462 20 0 FEADMM COC(=O)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)c(F)c1 ZINC000436706293 559949486 /nfs/dbraw/zinc/94/94/86/559949486.db2.gz MCPTWSVENHHRPF-AWEZNQCLSA-N -1 1 365.744 2.398 20 0 FEADMM COCCN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CCO[C@H]1C ZINC000436728200 559950231 /nfs/dbraw/zinc/95/02/31/559950231.db2.gz IUURXRWMSRCCIQ-GWCFXTLKSA-N -1 1 358.232 2.421 20 0 FEADMM COc1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1C(N)=O ZINC000436751163 559950912 /nfs/dbraw/zinc/95/09/12/559950912.db2.gz JNWCXOYKAFKQMX-UHFFFAOYSA-N -1 1 355.272 2.166 20 0 FEADMM CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2ccc([O-])cc2F)CC1 ZINC000436750461 559950939 /nfs/dbraw/zinc/95/09/39/559950939.db2.gz XGXVVPWKOWYPNR-GFCCVEGCSA-N -1 1 372.462 2.054 20 0 FEADMM COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccccc1[O-] ZINC000436757381 559950949 /nfs/dbraw/zinc/95/09/49/559950949.db2.gz SYXJFQWMFXGDBZ-UHFFFAOYSA-N -1 1 362.407 2.094 20 0 FEADMM Cn1ncc(I)c1C(=O)Nc1ccc(F)cc1[O-] ZINC000436818222 559953035 /nfs/dbraw/zinc/95/30/35/559953035.db2.gz JQQNIRHLGHUCTG-UHFFFAOYSA-N -1 1 361.114 2.122 20 0 FEADMM COC(=O)C(C)(C)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436823266 559953229 /nfs/dbraw/zinc/95/32/29/559953229.db2.gz UBTRKWNVTWILGP-UHFFFAOYSA-N -1 1 356.422 2.255 20 0 FEADMM COCCN(Cc1ccnn1C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436835855 559953707 /nfs/dbraw/zinc/95/37/07/559953707.db2.gz FUKJJNAQUGKCAE-UHFFFAOYSA-N -1 1 353.806 2.077 20 0 FEADMM Cn1c(CNC(=O)c2ccc(Br)cc2[O-])nnc1C1CC1 ZINC000436862471 559954758 /nfs/dbraw/zinc/95/47/58/559954758.db2.gz ODIODIWVUIIAST-UHFFFAOYSA-N -1 1 351.204 2.091 20 0 FEADMM CCn1cc(CN(CCO)C(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC000436886290 559955242 /nfs/dbraw/zinc/95/52/42/559955242.db2.gz HCHZKHPQBYMHDG-UHFFFAOYSA-N -1 1 357.332 2.262 20 0 FEADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000437341248 559963558 /nfs/dbraw/zinc/96/35/58/559963558.db2.gz GXYQFOPBWHJTMV-UHFFFAOYSA-N -1 1 352.485 2.004 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)OC)c1C ZINC000438252251 559976213 /nfs/dbraw/zinc/97/62/13/559976213.db2.gz JQSOLVCKPQYLCC-UHFFFAOYSA-N -1 1 374.422 2.416 20 0 FEADMM O=C(NCCF)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000438250468 559976248 /nfs/dbraw/zinc/97/62/48/559976248.db2.gz SYHLZMYSBHEUJY-UHFFFAOYSA-N -1 1 351.403 2.256 20 0 FEADMM CC(C)n1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)ccc2n1 ZINC000438756758 559983256 /nfs/dbraw/zinc/98/32/56/559983256.db2.gz QJDHAWIFIAWTLV-UHFFFAOYSA-N -1 1 362.411 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)o1 ZINC000440016581 560003160 /nfs/dbraw/zinc/00/31/60/560003160.db2.gz URJJBDSGRIYCSC-GFCCVEGCSA-N -1 1 368.377 2.429 20 0 FEADMM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(I)c([O-])c1 ZINC000440040589 560003605 /nfs/dbraw/zinc/00/36/05/560003605.db2.gz XIZYYYMNZUSUFY-UFGOTCBOSA-N -1 1 373.190 2.294 20 0 FEADMM Cc1nc(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)sc1C ZINC000440536917 560014078 /nfs/dbraw/zinc/01/40/78/560014078.db2.gz QRJLLFLYZBZINT-UHFFFAOYSA-N -1 1 369.450 2.073 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@@H](OC)C[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000441639579 560036752 /nfs/dbraw/zinc/03/67/52/560036752.db2.gz UPTRBUIOXJGQPO-DGCLKSJQSA-N -1 1 371.459 2.098 20 0 FEADMM CCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000442339409 560049468 /nfs/dbraw/zinc/04/94/68/560049468.db2.gz ZYYBSVJQVXAXKS-UHFFFAOYSA-N -1 1 363.391 2.291 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)c[nH]1 ZINC000442840319 560059513 /nfs/dbraw/zinc/05/95/13/560059513.db2.gz KWZPRBQAJURWHG-UHFFFAOYSA-N -1 1 366.273 2.118 20 0 FEADMM COc1cc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000442955204 560063605 /nfs/dbraw/zinc/06/36/05/560063605.db2.gz VYSOFORKOCSYEK-UHFFFAOYSA-N -1 1 374.824 2.369 20 0 FEADMM COc1cc(C(=O)NCCCc2nnc3n2CCCC3)cc(Cl)c1[O-] ZINC000443053184 560068031 /nfs/dbraw/zinc/06/80/31/560068031.db2.gz RBRPDDMSJVLVKG-UHFFFAOYSA-N -1 1 364.833 2.345 20 0 FEADMM CCN(Cc1c[nH]c2ccccc12)C(=O)CNC(=O)c1ncccc1[O-] ZINC000443304565 560078693 /nfs/dbraw/zinc/07/86/93/560078693.db2.gz ATIYIGHESGAAHM-UHFFFAOYSA-N -1 1 352.394 2.047 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc3c2ccn(C)c3=O)ccc1F ZINC000443532642 560086609 /nfs/dbraw/zinc/08/66/09/560086609.db2.gz OAYIFWSJNOVGGN-UHFFFAOYSA-N -1 1 362.382 2.487 20 0 FEADMM Cn1nccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000443896019 560095463 /nfs/dbraw/zinc/09/54/63/560095463.db2.gz AQWBHNRELKBSKU-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM Cc1nc(=NC(=O)c2cnc3c(OC(F)(F)F)cccc3c2O)s[n-]1 ZINC000444299171 560108598 /nfs/dbraw/zinc/10/85/98/560108598.db2.gz SMBNZQIUGRSHDW-UHFFFAOYSA-N -1 1 370.312 2.261 20 0 FEADMM O=C(NCc1cccnn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000444404006 560113128 /nfs/dbraw/zinc/11/31/28/560113128.db2.gz QGLPYKAYMCLKBA-UHFFFAOYSA-N -1 1 368.418 2.207 20 0 FEADMM COc1ccc(CCNC(=O)Cc2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000445420161 560132263 /nfs/dbraw/zinc/13/22/63/560132263.db2.gz AHPWINOICLOXFO-UHFFFAOYSA-N -1 1 371.368 2.491 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)[nH]n2)o1 ZINC000446620038 560148655 /nfs/dbraw/zinc/14/86/55/560148655.db2.gz LYFFMEXTEJMDPE-UHFFFAOYSA-N -1 1 360.395 2.186 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1OC(C)C ZINC000447272475 560159162 /nfs/dbraw/zinc/15/91/62/560159162.db2.gz WSEMKERXNTVJLZ-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000447278164 560159389 /nfs/dbraw/zinc/15/93/89/560159389.db2.gz AXTAJXCJXLVCDI-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM Cc1cccc(C)c1NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000447478170 560162910 /nfs/dbraw/zinc/16/29/10/560162910.db2.gz LBAMDMULOGGAPU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1cccc(C)c1NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000447478170 560162911 /nfs/dbraw/zinc/16/29/11/560162911.db2.gz LBAMDMULOGGAPU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3scnc3C)c2)n1 ZINC000447672285 560166429 /nfs/dbraw/zinc/16/64/29/560166429.db2.gz PLFGNZTXDXLGDB-UHFFFAOYSA-N -1 1 371.422 2.343 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)cc(C(=O)[O-])c1C ZINC000448172344 560179804 /nfs/dbraw/zinc/17/98/04/560179804.db2.gz BJIPVHPQKRYLPN-MRXNPFEDSA-N -1 1 368.499 2.400 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2c[nH]nc2-c2ccncc2)c1Br ZINC000448316181 560183913 /nfs/dbraw/zinc/18/39/13/560183913.db2.gz PZAWIXCPGZGZFP-UHFFFAOYSA-N -1 1 361.203 2.772 20 0 FEADMM CC[C@@H](O)CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448873656 560204380 /nfs/dbraw/zinc/20/43/80/560204380.db2.gz YVAFCWKKODEUGP-OAHLLOKOSA-N -1 1 362.451 2.265 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(C)cc1Br)c1nn[n-]n1 ZINC000450119780 560251197 /nfs/dbraw/zinc/25/11/97/560251197.db2.gz DLKTVJUVRQAPPU-LBPRGKRZSA-N -1 1 352.236 2.471 20 0 FEADMM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(Br)c(F)cc1[O-] ZINC000450176971 560252986 /nfs/dbraw/zinc/25/29/86/560252986.db2.gz UXOKOHBAXVUMON-ZETCQYMHSA-N -1 1 354.179 2.304 20 0 FEADMM CC(=O)N[C@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C(C)(C)C ZINC000450702814 560270754 /nfs/dbraw/zinc/27/07/54/560270754.db2.gz IWNLMNSULMVMHQ-GFCCVEGCSA-N -1 1 365.821 2.320 20 0 FEADMM CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C(C)(C)C ZINC000450702814 560270755 /nfs/dbraw/zinc/27/07/55/560270755.db2.gz IWNLMNSULMVMHQ-GFCCVEGCSA-N -1 1 365.821 2.320 20 0 FEADMM O=S(=O)([N-][C@H]1CCCN(c2ncccn2)C1)c1sccc1Cl ZINC000451081062 560286065 /nfs/dbraw/zinc/28/60/65/560286065.db2.gz QYKYLEOCNOYARL-JTQLQIEISA-N -1 1 358.876 2.139 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c(Cl)c1 ZINC000451116269 560288023 /nfs/dbraw/zinc/28/80/23/560288023.db2.gz PXDFBXYCPBIYTB-UHFFFAOYSA-N -1 1 356.835 2.395 20 0 FEADMM CCCOc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1 ZINC000451116996 560288058 /nfs/dbraw/zinc/28/80/58/560288058.db2.gz SASSFKHIGFHFBR-UHFFFAOYSA-N -1 1 366.443 2.222 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC000451184040 560291880 /nfs/dbraw/zinc/29/18/80/560291880.db2.gz ABRYWFBSMXXSPQ-UHFFFAOYSA-N -1 1 350.893 2.328 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2sccc2Cl)CCSCC1 ZINC000451357230 560302422 /nfs/dbraw/zinc/30/24/22/560302422.db2.gz YEWIBJAABNDGBL-UHFFFAOYSA-N -1 1 355.890 2.119 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CCCOC1 ZINC000451385049 560303844 /nfs/dbraw/zinc/30/38/44/560303844.db2.gz PZHQMLGRDJYWBJ-MWLCHTKSSA-N -1 1 367.876 2.038 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)o1 ZINC000451405993 560304853 /nfs/dbraw/zinc/30/48/53/560304853.db2.gz RSIKJKLGWSQJLJ-UHFFFAOYSA-N -1 1 372.830 2.464 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000451476025 560309315 /nfs/dbraw/zinc/30/93/15/560309315.db2.gz DLAIIFLKFIBLIQ-ZIAGYGMSSA-N -1 1 351.827 2.093 20 0 FEADMM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451509512 560311048 /nfs/dbraw/zinc/31/10/48/560311048.db2.gz NTVHIQOTAWWKOD-UFBFGSQYSA-N -1 1 358.872 2.358 20 0 FEADMM Cn1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451530033 560312371 /nfs/dbraw/zinc/31/23/71/560312371.db2.gz RZTNYXOWDANTRF-LRDDRELGSA-N -1 1 365.386 2.114 20 0 FEADMM CSCC[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)N(C)C ZINC000451556280 560314507 /nfs/dbraw/zinc/31/45/07/560314507.db2.gz LLJISIGEXWKHEO-LBPRGKRZSA-N -1 1 374.459 2.060 20 0 FEADMM O=S(=O)([N-]C1(CF)CCOCC1)c1ccc(Br)s1 ZINC000451731420 560325325 /nfs/dbraw/zinc/32/53/25/560325325.db2.gz BQWIESJIOBTQJF-UHFFFAOYSA-N -1 1 358.254 2.308 20 0 FEADMM O=S(=O)([N-][C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Br)o1 ZINC000451854264 560332552 /nfs/dbraw/zinc/33/25/52/560332552.db2.gz MZQQLBYDORIYJH-GWCFXTLKSA-N -1 1 364.261 2.118 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3c2CCCC3)c1 ZINC000451859202 560332845 /nfs/dbraw/zinc/33/28/45/560332845.db2.gz KAXMTDSFIGHKOR-UHFFFAOYSA-N -1 1 360.435 2.431 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(Cc3ccc(F)cc3)CC2)o1 ZINC000451933485 560338738 /nfs/dbraw/zinc/33/87/38/560338738.db2.gz BTLCDMPZRYTEFU-UHFFFAOYSA-N -1 1 353.371 2.259 20 0 FEADMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000452062024 560348901 /nfs/dbraw/zinc/34/89/01/560348901.db2.gz WVLJXGVEQRSDMR-SFYZADRCSA-N -1 1 370.780 2.291 20 0 FEADMM COc1cc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(Cl)c1[O-] ZINC000452858366 560376319 /nfs/dbraw/zinc/37/63/19/560376319.db2.gz ZQZBTQRMPNIDGC-WCQYABFASA-N -1 1 374.824 2.475 20 0 FEADMM CN(C(=O)N=c1[n-]nc2ccccn21)C1CCN(CCC(F)(F)F)CC1 ZINC000454758348 560457087 /nfs/dbraw/zinc/45/70/87/560457087.db2.gz XPTFBRSKCRWWMR-UHFFFAOYSA-N -1 1 370.379 2.610 20 0 FEADMM COc1ccccc1-c1n[n-]c(=NC(=O)N2CCN(C)[C@H](C)[C@@H]2C)s1 ZINC000455817683 560495795 /nfs/dbraw/zinc/49/57/95/560495795.db2.gz XOTZPZSHQSEUQG-NEPJUHHUSA-N -1 1 361.471 2.770 20 0 FEADMM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1n1cccn1 ZINC000456625778 560526237 /nfs/dbraw/zinc/52/62/37/560526237.db2.gz CENDGXWGEVAJAT-BZUAXINKSA-N -1 1 357.410 2.085 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000456781547 560532676 /nfs/dbraw/zinc/53/26/76/560532676.db2.gz FQLQGBQFPALBJD-AAEUAGOBSA-N -1 1 354.353 2.169 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(CCO)c2)o1 ZINC000456910478 560537414 /nfs/dbraw/zinc/53/74/14/560537414.db2.gz GMMIKMZOAURISV-UHFFFAOYSA-N -1 1 366.439 2.144 20 0 FEADMM Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1 ZINC000457203154 560555514 /nfs/dbraw/zinc/55/55/14/560555514.db2.gz LYUSDFBNYJHFGR-UHFFFAOYSA-N -1 1 365.455 2.032 20 0 FEADMM CC(C)(C)c1nc(CNC(=O)c2nn(-c3cccc(F)c3)cc2[O-])n[nH]1 ZINC000458035077 560600207 /nfs/dbraw/zinc/60/02/07/560600207.db2.gz XLAPPCCAISCQQO-UHFFFAOYSA-N -1 1 358.377 2.063 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000458238307 560610578 /nfs/dbraw/zinc/61/05/78/560610578.db2.gz RTGHCOFFRDZJAA-QWHCGFSZSA-N -1 1 351.472 2.219 20 0 FEADMM Cc1cnc(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c([O-])c1 ZINC000460125550 560735800 /nfs/dbraw/zinc/73/58/00/560735800.db2.gz AUEZZFYWFXPOHA-INIZCTEOSA-N -1 1 353.422 2.059 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000460288526 560740843 /nfs/dbraw/zinc/74/08/43/560740843.db2.gz HBVAEDURNNDFRO-CYBMUJFWSA-N -1 1 374.393 2.147 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000460288527 560740967 /nfs/dbraw/zinc/74/09/67/560740967.db2.gz HBVAEDURNNDFRO-ZDUSSCGKSA-N -1 1 374.393 2.147 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCCO1 ZINC000460352203 560741987 /nfs/dbraw/zinc/74/19/87/560741987.db2.gz NECGSXBDJGEZJU-UHFFFAOYSA-N -1 1 361.423 2.334 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000460448865 560743932 /nfs/dbraw/zinc/74/39/32/560743932.db2.gz NYSALTJEBMDZHD-UHFFFAOYSA-N -1 1 367.793 2.470 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc3c(C)n(C)nc3c2)cc1C(=O)[O-] ZINC000461345064 560767440 /nfs/dbraw/zinc/76/74/40/560767440.db2.gz XYDYIVAYZXRNQB-UHFFFAOYSA-N -1 1 362.411 2.202 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000461451085 560772016 /nfs/dbraw/zinc/77/20/16/560772016.db2.gz CFMUXEAKFCVLLI-BDAKNGLRSA-N -1 1 366.361 2.217 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000461461911 560772562 /nfs/dbraw/zinc/77/25/62/560772562.db2.gz GTVRJTMFCNHSAO-UHFFFAOYSA-N -1 1 363.370 2.173 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 ZINC000461460779 560772588 /nfs/dbraw/zinc/77/25/88/560772588.db2.gz OWLWKZBFJHWRJZ-LBPRGKRZSA-N -1 1 364.423 2.015 20 0 FEADMM O=C(NCc1c[nH]cn1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461462947 560772735 /nfs/dbraw/zinc/77/27/35/560772735.db2.gz HDYWVTUWZZWFQC-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM CC(C)(NC(=O)COc1ccccc1Cc1ccccc1)c1nn[n-]n1 ZINC000461648791 560778678 /nfs/dbraw/zinc/77/86/78/560778678.db2.gz RZWVQRCVIVXXGB-UHFFFAOYSA-N -1 1 351.410 2.221 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1 ZINC000462104155 560797436 /nfs/dbraw/zinc/79/74/36/560797436.db2.gz QULRORFCIVMJEQ-QHCPKHFHSA-N -1 1 369.464 2.250 20 0 FEADMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cncc(F)c2)nc1C ZINC000465506535 560866985 /nfs/dbraw/zinc/86/69/85/560866985.db2.gz RYNUZHFPTHPTGC-SECBINFHSA-N -1 1 373.431 2.202 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)o1 ZINC000466534104 560889192 /nfs/dbraw/zinc/88/91/92/560889192.db2.gz MTNGJRXEEVMYMC-LLVKDONJSA-N -1 1 355.343 2.007 20 0 FEADMM COc1ccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(F)c1 ZINC000467564575 560912749 /nfs/dbraw/zinc/91/27/49/560912749.db2.gz SERDOJNQZWJMQP-UHFFFAOYSA-N -1 1 372.400 2.448 20 0 FEADMM Cc1ccc2c(CCC(=O)N3CCN(c4nc(=N)[n-]s4)CC3)c[nH]c2c1 ZINC000467839037 560918671 /nfs/dbraw/zinc/91/86/71/560918671.db2.gz APWDQDOLTYBZMQ-UHFFFAOYSA-N -1 1 370.482 2.191 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccc(C)c(C)c1 ZINC000468821073 560939673 /nfs/dbraw/zinc/93/96/73/560939673.db2.gz FBIXBUNUPULEQO-MRXNPFEDSA-N -1 1 365.455 2.273 20 0 FEADMM CC(C)(C)c1cccc(OCCN2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000468842887 560940273 /nfs/dbraw/zinc/94/02/73/560940273.db2.gz DTULDHMGVVFRAR-UHFFFAOYSA-N -1 1 361.515 2.619 20 0 FEADMM CCc1c(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cnn1-c1ccccc1 ZINC000469486607 560956300 /nfs/dbraw/zinc/95/63/00/560956300.db2.gz WVOZGNSOANJNMV-UHFFFAOYSA-N -1 1 374.422 2.188 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(O)CCC3)c2)c1 ZINC000469820653 560965279 /nfs/dbraw/zinc/96/52/79/560965279.db2.gz LJNFUNBRAIWGSY-UHFFFAOYSA-N -1 1 374.462 2.441 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC)c2)c1 ZINC000471136578 560998982 /nfs/dbraw/zinc/99/89/82/560998982.db2.gz LXCOTJPVSXNGLU-UHFFFAOYSA-N -1 1 355.437 2.290 20 0 FEADMM COC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccco1 ZINC000471512741 561006167 /nfs/dbraw/zinc/00/61/67/561006167.db2.gz ZFLHJEVUPSOEKO-LLVKDONJSA-N -1 1 370.427 2.067 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)ccc1F ZINC000471615438 561008783 /nfs/dbraw/zinc/00/87/83/561008783.db2.gz SUOYMZNLZNTCOW-GFCCVEGCSA-N -1 1 364.398 2.239 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccccc1OC1CCCC1 ZINC000473323314 561047578 /nfs/dbraw/zinc/04/75/78/561047578.db2.gz HGTDWVFUAXELFO-UHFFFAOYSA-N -1 1 359.382 2.148 20 0 FEADMM O=C(CCCOc1cccc(Cl)c1Cl)NC1(c2nn[n-]n2)CC1 ZINC000473363682 561048474 /nfs/dbraw/zinc/04/84/74/561048474.db2.gz BBSMUENZDCSPQH-UHFFFAOYSA-N -1 1 356.213 2.471 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ncn(C)n1 ZINC000473955501 561061945 /nfs/dbraw/zinc/06/19/45/561061945.db2.gz FLTMCGIIBNRGNE-LURJTMIESA-N -1 1 353.206 2.301 20 0 FEADMM CCC[C@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nn[n-]n1 ZINC000474487638 561075238 /nfs/dbraw/zinc/07/52/38/561075238.db2.gz GHDYNKNUDINSGV-VIFPVBQESA-N -1 1 353.308 2.137 20 0 FEADMM CCC[C@@H](NC(=O)CCC(=O)c1ccc(OCC)c(F)c1)c1nn[n-]n1 ZINC000474488656 561075277 /nfs/dbraw/zinc/07/52/77/561075277.db2.gz IMTKNRWTTXMMSL-CYBMUJFWSA-N -1 1 363.393 2.358 20 0 FEADMM C/C=C\C[C@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000474622049 561078677 /nfs/dbraw/zinc/07/86/77/561078677.db2.gz YHWFQRHUWZNQRD-MXQLGCADSA-N -1 1 361.179 2.054 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000475059417 561089238 /nfs/dbraw/zinc/08/92/38/561089238.db2.gz ASFUCAXOXXUBQL-AWEZNQCLSA-N -1 1 372.812 2.498 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)[C@H]1CCCOC1 ZINC000476503111 561120940 /nfs/dbraw/zinc/12/09/40/561120940.db2.gz GISDHINDOGZNHS-GJZGRUSLSA-N -1 1 361.504 2.235 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)[C@H]1CCCOC1 ZINC000476503113 561120963 /nfs/dbraw/zinc/12/09/63/561120963.db2.gz GISDHINDOGZNHS-LSDHHAIUSA-N -1 1 361.504 2.235 20 0 FEADMM Cc1ccc(-n2cc(C(=O)NC3(c4nn[n-]n4)CC3)c(C(C)(C)C)n2)cc1 ZINC000477052612 561135337 /nfs/dbraw/zinc/13/53/37/561135337.db2.gz ZPAGMTMMDLCETA-UHFFFAOYSA-N -1 1 365.441 2.410 20 0 FEADMM CC(C)(NS(C)(=O)=O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539718 562377016 /nfs/dbraw/zinc/37/70/16/562377016.db2.gz STEVOIVMEVDRKC-UHFFFAOYSA-N -1 1 356.831 2.465 20 0 FEADMM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1cccc(F)c1[O-])C2=O ZINC000530005133 562394211 /nfs/dbraw/zinc/39/42/11/562394211.db2.gz IHVOCEVMPAEIHJ-QWRGUYRKSA-N -1 1 363.389 2.217 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)C1CCOCC1 ZINC000531643690 562452478 /nfs/dbraw/zinc/45/24/78/562452478.db2.gz FHJDJIXBWAZZFD-CYBMUJFWSA-N -1 1 370.453 2.417 20 0 FEADMM CN(C(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1CCCCC1 ZINC000531802967 562457168 /nfs/dbraw/zinc/45/71/68/562457168.db2.gz MJHIFHATERPJQI-UHFFFAOYSA-N -1 1 364.389 2.173 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(COC2CCOCC2)c1 ZINC000532282679 562472759 /nfs/dbraw/zinc/47/27/59/562472759.db2.gz CQSNGWDMECRUEW-UHFFFAOYSA-N -1 1 371.441 2.095 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1CC ZINC000533787184 562518105 /nfs/dbraw/zinc/51/81/05/562518105.db2.gz RNNVEJNHMJAQMD-UHFFFAOYSA-N -1 1 362.451 2.476 20 0 FEADMM COc1cccc(-c2nc(C)c(C(=O)NC3(c4nn[n-]n4)CCCC3)[nH]2)c1 ZINC000535129142 562551584 /nfs/dbraw/zinc/55/15/84/562551584.db2.gz MMWOLYTYWJUPNQ-UHFFFAOYSA-N -1 1 367.413 2.106 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3F)CC2)co1 ZINC000535129622 562551603 /nfs/dbraw/zinc/55/16/03/562551603.db2.gz PICWQYHQGLMSIA-UHFFFAOYSA-N -1 1 366.414 2.347 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc2ncccc2c1 ZINC000535654330 562563367 /nfs/dbraw/zinc/56/33/67/562563367.db2.gz GNDNYDVRNAXIIX-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3ccnn3)cc2)sc1C ZINC000535896728 562570454 /nfs/dbraw/zinc/57/04/54/562570454.db2.gz LEAIEKKDOISVIJ-LLVKDONJSA-N -1 1 363.468 2.380 20 0 FEADMM CCC(CC)c1nnc([N-]C(=O)c2ccc(S(N)(=O)=O)cc2F)s1 ZINC000536106135 562572748 /nfs/dbraw/zinc/57/27/48/562572748.db2.gz IGDCEVYZXUMHDA-UHFFFAOYSA-N -1 1 372.447 2.481 20 0 FEADMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540804175 562593492 /nfs/dbraw/zinc/59/34/92/562593492.db2.gz IWVQTUHVNDMUDZ-MRXNPFEDSA-N -1 1 364.423 2.144 20 0 FEADMM O=C(NCc1ccno1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000540848207 562594239 /nfs/dbraw/zinc/59/42/39/562594239.db2.gz VDGPUYAFGVQGKV-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)s2)o1 ZINC000541025628 562600758 /nfs/dbraw/zinc/60/07/58/562600758.db2.gz ZIXSACOFCZUADO-UHFFFAOYSA-N -1 1 352.397 2.090 20 0 FEADMM Cc1ccc(-c2ccc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)s2)o1 ZINC000541025628 562600759 /nfs/dbraw/zinc/60/07/59/562600759.db2.gz ZIXSACOFCZUADO-UHFFFAOYSA-N -1 1 352.397 2.090 20 0 FEADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(=O)n3nc[n-]c3n2)o1 ZINC000541836875 562621123 /nfs/dbraw/zinc/62/11/23/562621123.db2.gz XMZXVSRCBZVFGL-RISCZKNCSA-N -1 1 355.398 2.186 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000546264362 562635575 /nfs/dbraw/zinc/63/55/75/562635575.db2.gz UKMHLCLXLPZTSN-LSDHHAIUSA-N -1 1 368.499 2.103 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c(C(F)(F)F)n1 ZINC000549722052 562638373 /nfs/dbraw/zinc/63/83/73/562638373.db2.gz NNQFCHQEDHMDKA-UHFFFAOYSA-N -1 1 355.288 2.196 20 0 FEADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)CCC(F)(F)F ZINC000556056922 674386564 /nfs/dbraw/zinc/38/65/64/674386564.db2.gz MHXVPYYROXABBY-UHFFFAOYSA-N -1 1 355.334 2.407 20 0 FEADMM CCC[C@H](CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000601711193 567818897 /nfs/dbraw/zinc/81/88/97/567818897.db2.gz GDWSOUWBDAFELD-SNVBAGLBSA-N -1 1 363.195 2.278 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)c(F)c1 ZINC000643224040 567884469 /nfs/dbraw/zinc/88/44/69/567884469.db2.gz NDCOZDQECWBYPL-UHFFFAOYSA-N -1 1 374.413 2.359 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n[n-]1 ZINC000603155469 568068551 /nfs/dbraw/zinc/06/85/51/568068551.db2.gz NKHISAURUFUUGU-ZLCVWYCYSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)[n-]1 ZINC000603155469 568068552 /nfs/dbraw/zinc/06/85/52/568068552.db2.gz NKHISAURUFUUGU-ZLCVWYCYSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC000603155469 568068553 /nfs/dbraw/zinc/06/85/53/568068553.db2.gz NKHISAURUFUUGU-ZLCVWYCYSA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)n[n-]1 ZINC000603166794 568070333 /nfs/dbraw/zinc/07/03/33/568070333.db2.gz RWMPCSDWYCIVTK-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)[n-]1 ZINC000603166794 568070334 /nfs/dbraw/zinc/07/03/34/568070334.db2.gz RWMPCSDWYCIVTK-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000603166794 568070335 /nfs/dbraw/zinc/07/03/35/568070335.db2.gz RWMPCSDWYCIVTK-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(F)c(C)c1 ZINC000603310711 568084687 /nfs/dbraw/zinc/08/46/87/568084687.db2.gz PXFCNQPARUJKFM-JSGCOSHPSA-N -1 1 365.373 2.313 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCOc1cccc(F)c1 ZINC000603910696 568178487 /nfs/dbraw/zinc/17/84/87/568178487.db2.gz YPEYXTKKTPHJGN-UHFFFAOYSA-N -1 1 358.373 2.276 20 0 FEADMM CC[C@@]1(C)CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820950216 599371431 /nfs/dbraw/zinc/37/14/31/599371431.db2.gz KWDWIGKSSCLUEL-HNNXBMFYSA-N -1 1 353.423 2.207 20 0 FEADMM CC[C@@]1(C)CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820950216 599371434 /nfs/dbraw/zinc/37/14/34/599371434.db2.gz KWDWIGKSSCLUEL-HNNXBMFYSA-N -1 1 353.423 2.207 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1COc2ccccc2O1 ZINC000738442509 598935669 /nfs/dbraw/zinc/93/56/69/598935669.db2.gz PAKZCOUVWGMJHR-NSHDSACASA-N -1 1 361.365 2.062 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1COc2ccccc2O1 ZINC000738442509 598935671 /nfs/dbraw/zinc/93/56/71/598935671.db2.gz PAKZCOUVWGMJHR-NSHDSACASA-N -1 1 361.365 2.062 20 0 FEADMM CCc1nn(CCOC2CCCCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705794 598939649 /nfs/dbraw/zinc/93/96/49/598939649.db2.gz BAKQQWIKJJEEEE-UHFFFAOYSA-N -1 1 360.462 2.288 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821695946 607255055 /nfs/dbraw/zinc/25/50/55/607255055.db2.gz OJBJNGFFWAKXDH-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM CC(C)(C)c1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735652411 598982490 /nfs/dbraw/zinc/98/24/90/598982490.db2.gz KCWPDOPDEHCQON-UHFFFAOYSA-N -1 1 366.425 2.368 20 0 FEADMM CC(C)(C)c1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735652411 598982492 /nfs/dbraw/zinc/98/24/92/598982492.db2.gz KCWPDOPDEHCQON-UHFFFAOYSA-N -1 1 366.425 2.368 20 0 FEADMM C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736222130 598984524 /nfs/dbraw/zinc/98/45/24/598984524.db2.gz ASZXAGQLGBEJCB-QMMMGPOBSA-N -1 1 353.313 2.310 20 0 FEADMM C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736222130 598984525 /nfs/dbraw/zinc/98/45/25/598984525.db2.gz ASZXAGQLGBEJCB-QMMMGPOBSA-N -1 1 353.313 2.310 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OC(F)F ZINC000736116619 598989103 /nfs/dbraw/zinc/98/91/03/598989103.db2.gz BZZWSMYVYMTQOY-VIFPVBQESA-N -1 1 360.324 2.354 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OC(F)F ZINC000736116619 598989104 /nfs/dbraw/zinc/98/91/04/598989104.db2.gz BZZWSMYVYMTQOY-VIFPVBQESA-N -1 1 360.324 2.354 20 0 FEADMM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736602878 598996094 /nfs/dbraw/zinc/99/60/94/598996094.db2.gz PGTGRAUMDMYTBV-UHFFFAOYSA-N -1 1 366.381 2.105 20 0 FEADMM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736602878 598996096 /nfs/dbraw/zinc/99/60/96/598996096.db2.gz PGTGRAUMDMYTBV-UHFFFAOYSA-N -1 1 366.381 2.105 20 0 FEADMM O=C(Oc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738250523 599006774 /nfs/dbraw/zinc/00/67/74/599006774.db2.gz HYVQTLMEGMNCJG-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Oc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738250523 599006775 /nfs/dbraw/zinc/00/67/75/599006775.db2.gz HYVQTLMEGMNCJG-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM CCc1cnc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000821496055 599083217 /nfs/dbraw/zinc/08/32/17/599083217.db2.gz BBNGYMPUXJQPHW-UHFFFAOYSA-N -1 1 352.427 2.483 20 0 FEADMM CCc1cnc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000821496055 599083220 /nfs/dbraw/zinc/08/32/20/599083220.db2.gz BBNGYMPUXJQPHW-UHFFFAOYSA-N -1 1 352.427 2.483 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(Cl)cc1 ZINC000736159556 599134056 /nfs/dbraw/zinc/13/40/56/599134056.db2.gz WJSMIDLPUBOSAD-VIFPVBQESA-N -1 1 372.772 2.099 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(Cl)cc1 ZINC000736159556 599134057 /nfs/dbraw/zinc/13/40/57/599134057.db2.gz WJSMIDLPUBOSAD-VIFPVBQESA-N -1 1 372.772 2.099 20 0 FEADMM Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737202605 599136884 /nfs/dbraw/zinc/13/68/84/599136884.db2.gz NVBZWFVNNZPZQB-UHFFFAOYSA-N -1 1 363.333 2.356 20 0 FEADMM Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737202605 599136886 /nfs/dbraw/zinc/13/68/86/599136886.db2.gz NVBZWFVNNZPZQB-UHFFFAOYSA-N -1 1 363.333 2.356 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(Cl)ccc2O1 ZINC000820743091 599204547 /nfs/dbraw/zinc/20/45/47/599204547.db2.gz QEPLKUQGHJWUPR-VIFPVBQESA-N -1 1 356.773 2.343 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(Cl)ccc2O1 ZINC000820743091 599204550 /nfs/dbraw/zinc/20/45/50/599204550.db2.gz QEPLKUQGHJWUPR-VIFPVBQESA-N -1 1 356.773 2.343 20 0 FEADMM CC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736401272 599240068 /nfs/dbraw/zinc/24/00/68/599240068.db2.gz HOXNUBITSHYPRF-JTQLQIEISA-N -1 1 362.459 2.342 20 0 FEADMM Cc1ccc(CN2CCSCC2)cc1NC(=O)CSCC(=O)[O-] ZINC000740126057 597091051 /nfs/dbraw/zinc/09/10/51/597091051.db2.gz IVCRWHZDJISYGG-UHFFFAOYSA-N -1 1 354.497 2.300 20 0 FEADMM O=C([O-])Cc1ccccc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000819617800 597328670 /nfs/dbraw/zinc/32/86/70/597328670.db2.gz DDYCFHNFPHHSGZ-UHFFFAOYSA-N -1 1 353.422 2.494 20 0 FEADMM c1ccn2c(c1)nnc2CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000738438042 599261511 /nfs/dbraw/zinc/26/15/11/599261511.db2.gz VIAQCGQAUFKGFM-UHFFFAOYSA-N -1 1 357.381 2.112 20 0 FEADMM c1ccn2c(c1)nnc2CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000738438042 599261513 /nfs/dbraw/zinc/26/15/13/599261513.db2.gz VIAQCGQAUFKGFM-UHFFFAOYSA-N -1 1 357.381 2.112 20 0 FEADMM O=C([O-])CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000819527771 597492189 /nfs/dbraw/zinc/49/21/89/597492189.db2.gz YHOIWFZQTBPPQQ-UHFFFAOYSA-N -1 1 362.430 2.097 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000819018734 597534673 /nfs/dbraw/zinc/53/46/73/597534673.db2.gz FWKFIVLZEJVWKN-CABCVRRESA-N -1 1 356.426 2.223 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC(C(C)C)C(C)C ZINC000822004838 607320624 /nfs/dbraw/zinc/32/06/24/607320624.db2.gz LPLOYEHWQCTEDA-UHFFFAOYSA-N -1 1 360.462 2.314 20 0 FEADMM CCCN(Cc1ccccc1Br)C(=O)CCc1nn[n-]n1 ZINC000630698169 676917119 /nfs/dbraw/zinc/91/71/19/676917119.db2.gz AKBATOOQYDLEIQ-UHFFFAOYSA-N -1 1 352.236 2.334 20 0 FEADMM CCC[C@@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])CCN1CCOC ZINC000820310991 598083868 /nfs/dbraw/zinc/08/38/68/598083868.db2.gz KTUSDRGKTKDUAU-MRXNPFEDSA-N -1 1 363.458 2.278 20 0 FEADMM N=C1Nc2nc3cc4c(cc3n2C2(CCC(C(=O)[O-])CC2)N1)OCCCO4 ZINC000738445443 598094702 /nfs/dbraw/zinc/09/47/02/598094702.db2.gz UGYSYNOKHATKDM-UHFFFAOYSA-N -1 1 371.397 2.075 20 0 FEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)n[nH]1 ZINC000819932700 598178781 /nfs/dbraw/zinc/17/87/81/598178781.db2.gz WOLKOJCYZBBUNX-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)[nH]1 ZINC000819932700 598178782 /nfs/dbraw/zinc/17/87/82/598178782.db2.gz WOLKOJCYZBBUNX-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM O=C([O-])CSCC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000263415251 598200637 /nfs/dbraw/zinc/20/06/37/598200637.db2.gz JTSSOUJAEUGZDB-CYBMUJFWSA-N -1 1 366.487 2.376 20 0 FEADMM CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735922240 598259848 /nfs/dbraw/zinc/25/98/48/598259848.db2.gz DGMIMHUNTJMLFL-UHFFFAOYSA-N -1 1 372.454 2.206 20 0 FEADMM CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735922240 598259851 /nfs/dbraw/zinc/25/98/51/598259851.db2.gz DGMIMHUNTJMLFL-UHFFFAOYSA-N -1 1 372.454 2.206 20 0 FEADMM C[C@@H](Cc1ccc(Br)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC000736057190 598343373 /nfs/dbraw/zinc/34/33/73/598343373.db2.gz UYWIHRPCBAATIQ-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM C[C@@H](Cc1ccc(Br)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC000736057190 598343375 /nfs/dbraw/zinc/34/33/75/598343375.db2.gz UYWIHRPCBAATIQ-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138270 598350481 /nfs/dbraw/zinc/35/04/81/598350481.db2.gz QEHMJWKXXIYJSC-RYUDHWBXSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138270 598350482 /nfs/dbraw/zinc/35/04/82/598350482.db2.gz QEHMJWKXXIYJSC-RYUDHWBXSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820219256 607355152 /nfs/dbraw/zinc/35/51/52/607355152.db2.gz DSBNSVUNOTUBGO-MFKMUULPSA-N -1 1 355.423 2.392 20 0 FEADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820219256 607355154 /nfs/dbraw/zinc/35/51/54/607355154.db2.gz DSBNSVUNOTUBGO-MFKMUULPSA-N -1 1 355.423 2.392 20 0 FEADMM COc1ccc(CCCCCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737086703 598471442 /nfs/dbraw/zinc/47/14/42/598471442.db2.gz AXVXKPQUHIOCLR-UHFFFAOYSA-N -1 1 355.402 2.097 20 0 FEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCN(c3ccccc3)C2=O)n1 ZINC000737472341 598584853 /nfs/dbraw/zinc/58/48/53/598584853.db2.gz ZYDOGRGHAHLJAK-ZDUSSCGKSA-N -1 1 367.438 2.171 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000738342797 598596069 /nfs/dbraw/zinc/59/60/69/598596069.db2.gz QMKJMWZXJFONRY-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM CC(C)C[C@@H](C)Oc1cc(CNc2nccnc2-c2nnn[n-]2)ccn1 ZINC000735760251 598675060 /nfs/dbraw/zinc/67/50/60/598675060.db2.gz ABEOIQQOGLCMQF-GFCCVEGCSA-N -1 1 354.418 2.477 20 0 FEADMM CC(C)C[C@@H](C)Oc1cc(CNc2nccnc2-c2nn[n-]n2)ccn1 ZINC000735760251 598675062 /nfs/dbraw/zinc/67/50/62/598675062.db2.gz ABEOIQQOGLCMQF-GFCCVEGCSA-N -1 1 354.418 2.477 20 0 FEADMM CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736512246 598686748 /nfs/dbraw/zinc/68/67/48/598686748.db2.gz NYCGENDWPCTHAU-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM CSc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737189819 598687304 /nfs/dbraw/zinc/68/73/04/598687304.db2.gz CJLOZJIBCTWEEC-UHFFFAOYSA-N -1 1 366.399 2.495 20 0 FEADMM CCCCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736451244 598720558 /nfs/dbraw/zinc/72/05/58/598720558.db2.gz LCJUKYGHFNZICR-UHFFFAOYSA-N -1 1 374.832 2.141 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCS[C@@H](C)C1 ZINC000737547744 598754981 /nfs/dbraw/zinc/75/49/81/598754981.db2.gz KDVAPWCFCUERTG-JTQLQIEISA-N -1 1 358.427 2.136 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCS[C@@H](C)C1 ZINC000737547744 598754983 /nfs/dbraw/zinc/75/49/83/598754983.db2.gz KDVAPWCFCUERTG-JTQLQIEISA-N -1 1 358.427 2.136 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC/C=C/c2ccccc2)cc1-c1nn[n-]n1 ZINC000737186634 598799041 /nfs/dbraw/zinc/79/90/41/598799041.db2.gz KIZIVXFRBHMXKN-VMPITWQZSA-N -1 1 368.422 2.132 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@]2(C)CCOC2)c1-c1nn[n-]n1 ZINC000737189420 598813530 /nfs/dbraw/zinc/81/35/30/598813530.db2.gz MINIFTROWZMHDJ-KRWDZBQOSA-N -1 1 374.470 2.017 20 0 FEADMM C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820686060 599327242 /nfs/dbraw/zinc/32/72/42/599327242.db2.gz WRYONQHNFXUEMD-NXEZZACHSA-N -1 1 355.851 2.329 20 0 FEADMM CCN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736556264 599333041 /nfs/dbraw/zinc/33/30/41/599333041.db2.gz PRQQHUCNMGERPA-UHFFFAOYSA-N -1 1 361.402 2.217 20 0 FEADMM CCN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736556264 599333043 /nfs/dbraw/zinc/33/30/43/599333043.db2.gz PRQQHUCNMGERPA-UHFFFAOYSA-N -1 1 361.402 2.217 20 0 FEADMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820703643 599335269 /nfs/dbraw/zinc/33/52/69/599335269.db2.gz JFQSDFXIPZOBSO-JQWIXIFHSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820703643 599335272 /nfs/dbraw/zinc/33/52/72/599335272.db2.gz JFQSDFXIPZOBSO-JQWIXIFHSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820698158 599349053 /nfs/dbraw/zinc/34/90/53/599349053.db2.gz QKJOJZATNNQOQT-GHMZBOCLSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820698158 599349055 /nfs/dbraw/zinc/34/90/55/599349055.db2.gz QKJOJZATNNQOQT-GHMZBOCLSA-N -1 1 353.423 2.205 20 0 FEADMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)c1 ZINC000821491921 599378951 /nfs/dbraw/zinc/37/89/51/599378951.db2.gz COIZRNNUZQXOLE-UKTHLTGXSA-N -1 1 366.406 2.284 20 0 FEADMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)c1 ZINC000821491921 599378954 /nfs/dbraw/zinc/37/89/54/599378954.db2.gz COIZRNNUZQXOLE-UKTHLTGXSA-N -1 1 366.406 2.284 20 0 FEADMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820859546 599379613 /nfs/dbraw/zinc/37/96/13/599379613.db2.gz FQWFYQSGXGRZNC-ADLMAVQZSA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820859546 599379616 /nfs/dbraw/zinc/37/96/16/599379616.db2.gz FQWFYQSGXGRZNC-ADLMAVQZSA-N -1 1 372.429 2.086 20 0 FEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(N2CCOC2=O)c1 ZINC000736136008 599418890 /nfs/dbraw/zinc/41/88/90/599418890.db2.gz CWCGVAHYYZYFLO-LLVKDONJSA-N -1 1 351.370 2.391 20 0 FEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(N2CCOC2=O)c1 ZINC000736136008 599418893 /nfs/dbraw/zinc/41/88/93/599418893.db2.gz CWCGVAHYYZYFLO-LLVKDONJSA-N -1 1 351.370 2.391 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627663 599430810 /nfs/dbraw/zinc/43/08/10/599430810.db2.gz NUSSGGOWXJYETD-GFCCVEGCSA-N -1 1 359.434 2.321 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627663 599430812 /nfs/dbraw/zinc/43/08/12/599430812.db2.gz NUSSGGOWXJYETD-GFCCVEGCSA-N -1 1 359.434 2.321 20 0 FEADMM O=C(NCCNc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccs1 ZINC000823202157 599483979 /nfs/dbraw/zinc/48/39/79/599483979.db2.gz RETSPEUDEJFRPN-UHFFFAOYSA-N -1 1 365.422 2.318 20 0 FEADMM O=C(NCCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccs1 ZINC000823202157 599483981 /nfs/dbraw/zinc/48/39/81/599483981.db2.gz RETSPEUDEJFRPN-UHFFFAOYSA-N -1 1 365.422 2.318 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC[C@@H](C2OCCO2)C1 ZINC000823792528 599518009 /nfs/dbraw/zinc/51/80/09/599518009.db2.gz WNJPUMURLJPBGB-GFCCVEGCSA-N -1 1 352.398 2.004 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC[C@@H](C2OCCO2)C1 ZINC000823792528 599518011 /nfs/dbraw/zinc/51/80/11/599518011.db2.gz WNJPUMURLJPBGB-GFCCVEGCSA-N -1 1 352.398 2.004 20 0 FEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(C)c1F ZINC000822168948 599662337 /nfs/dbraw/zinc/66/23/37/599662337.db2.gz VURDNIBWUPNUIZ-UHFFFAOYSA-N -1 1 355.329 2.057 20 0 FEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(C)c1F ZINC000822168948 599662338 /nfs/dbraw/zinc/66/23/38/599662338.db2.gz VURDNIBWUPNUIZ-UHFFFAOYSA-N -1 1 355.329 2.057 20 0 FEADMM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820973629 599683830 /nfs/dbraw/zinc/68/38/30/599683830.db2.gz YQLAVQVJURIXPP-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820973629 599683831 /nfs/dbraw/zinc/68/38/31/599683831.db2.gz YQLAVQVJURIXPP-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM CC(C)C(=O)NC[C@H]1CCCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000736347696 599782658 /nfs/dbraw/zinc/78/26/58/599782658.db2.gz WZTDDFODRYLWPF-CQSZACIVSA-N -1 1 358.442 2.176 20 0 FEADMM COc1ccc2c(c1)CCCN([C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000738075464 599979186 /nfs/dbraw/zinc/97/91/86/599979186.db2.gz ZXDUGTJNTSMLHS-AWEZNQCLSA-N -1 1 360.454 2.155 20 0 FEADMM Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1C(=O)[O-] ZINC000738411043 600041466 /nfs/dbraw/zinc/04/14/66/600041466.db2.gz OAJRFGMJKJIJBD-QGZVFWFLSA-N -1 1 369.421 2.051 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n[nH]1 ZINC000738905660 600071435 /nfs/dbraw/zinc/07/14/35/600071435.db2.gz LPFGESUZDUNLEJ-UHFFFAOYSA-N -1 1 365.393 2.281 20 0 FEADMM CC(C)n1cc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cn1 ZINC000324837536 600099282 /nfs/dbraw/zinc/09/92/82/600099282.db2.gz CGOXVMJAZRRLSI-UHFFFAOYSA-N -1 1 353.400 2.118 20 0 FEADMM C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262672607 600131608 /nfs/dbraw/zinc/13/16/08/600131608.db2.gz QARFFEDGGJQNBF-CHWSQXEVSA-N -1 1 361.467 2.440 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1F ZINC000737367732 600190044 /nfs/dbraw/zinc/19/00/44/600190044.db2.gz DCXLMWIVFMNOGG-HNNXBMFYSA-N -1 1 363.433 2.284 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC(CC(=O)[O-])CC2)ccc1F ZINC000737367980 600190250 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O=C([O-])c1csc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000833361299 602117210 /nfs/dbraw/zinc/11/72/10/602117210.db2.gz RREZXGQCQKAWEP-UHFFFAOYSA-N -1 1 372.811 2.395 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)nc2)s1 ZINC000222061568 602156428 /nfs/dbraw/zinc/15/64/28/602156428.db2.gz IGOPTDJMLPCOQV-UHFFFAOYSA-N -1 1 363.214 2.405 20 0 FEADMM c1cc(NCc2ccnc(-c3nnn[n-]3)c2)cc(OC[C@H]2CCCO2)c1 ZINC000826516808 607548496 /nfs/dbraw/zinc/54/84/96/607548496.db2.gz BWPLFXWXKYCPFV-MRXNPFEDSA-N -1 1 352.398 2.432 20 0 FEADMM c1cc(NCc2ccnc(-c3nn[n-]n3)c2)cc(OC[C@H]2CCCO2)c1 ZINC000826516808 607548498 /nfs/dbraw/zinc/54/84/98/607548498.db2.gz BWPLFXWXKYCPFV-MRXNPFEDSA-N -1 1 352.398 2.432 20 0 FEADMM COc1coc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1=O ZINC000832643315 602202458 /nfs/dbraw/zinc/20/24/58/602202458.db2.gz ZWSGXUKDFSXIBM-CQSZACIVSA-N -1 1 368.183 2.326 20 0 FEADMM COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000739945288 602351417 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C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738632144 602534349 /nfs/dbraw/zinc/53/43/49/602534349.db2.gz ZMARFLSPFKJOGT-TZMCWYRMSA-N -1 1 353.850 2.276 20 0 FEADMM C[C@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000737669582 602541368 /nfs/dbraw/zinc/54/13/68/602541368.db2.gz QRXLLMNGHUFCLY-OAHLLOKOSA-N -1 1 374.485 2.217 20 0 FEADMM CSCC[C@H](NC(=O)[O-])C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000740009934 602545406 /nfs/dbraw/zinc/54/54/06/602545406.db2.gz AIXHESCQKDVGEV-JTQLQIEISA-N -1 1 356.835 2.222 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000739792420 602653111 /nfs/dbraw/zinc/65/31/11/602653111.db2.gz NJBBOYQEYYXFAD-UHFFFAOYSA-N -1 1 358.303 2.096 20 0 FEADMM COc1cc(OC)cc([C@H](O)CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000809685034 674505038 /nfs/dbraw/zinc/50/50/38/674505038.db2.gz XICLDWCFNWFSLT-CQSZACIVSA-N -1 1 353.321 2.151 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000739605777 602698182 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C[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000809800114 674510446 /nfs/dbraw/zinc/51/04/46/674510446.db2.gz IRCJAKMZOOXOED-PWJLMRLQSA-N -1 1 351.305 2.251 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739605360 602955675 /nfs/dbraw/zinc/95/56/75/602955675.db2.gz BGISVTMVSNZMIR-HZPDHXFCSA-N -1 1 366.437 2.260 20 0 FEADMM C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824936346 607597000 /nfs/dbraw/zinc/59/70/00/607597000.db2.gz GOMMJGUBIJOGRG-QWRGUYRKSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824936346 607597002 /nfs/dbraw/zinc/59/70/02/607597002.db2.gz GOMMJGUBIJOGRG-QWRGUYRKSA-N -1 1 353.423 2.110 20 0 FEADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000832464039 603004504 /nfs/dbraw/zinc/00/45/04/603004504.db2.gz ADGQBBCPCTWCEJ-RRFJBIMHSA-N -1 1 364.446 2.152 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccs1 ZINC000827995434 603005832 /nfs/dbraw/zinc/00/58/32/603005832.db2.gz TUXRSHTYPVYHTH-GSPSYOTPSA-N -1 1 366.487 2.323 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000738558988 603256968 /nfs/dbraw/zinc/25/69/68/603256968.db2.gz DCFVNGRIYZRZLN-HUUCEWRRSA-N -1 1 364.446 2.167 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)NC(=O)[O-] ZINC000824678623 603284121 /nfs/dbraw/zinc/28/41/21/603284121.db2.gz DEHWMTSKVYJIQN-NSHDSACASA-N -1 1 354.838 2.077 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739609775 603425615 /nfs/dbraw/zinc/42/56/15/603425615.db2.gz GQUAYORVBFIGMW-UHFFFAOYSA-N -1 1 374.372 2.328 20 0 FEADMM C[C@@H](NC(=O)Nc1cnn(-c2ccncc2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825170831 603556149 /nfs/dbraw/zinc/55/61/49/603556149.db2.gz DZGSYVYGGWXGEP-CHWSQXEVSA-N -1 1 358.402 2.167 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000829592813 603581988 /nfs/dbraw/zinc/58/19/88/603581988.db2.gz UVLSOEXKWGPQGT-GJZGRUSLSA-N -1 1 363.458 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607657639 /nfs/dbraw/zinc/65/76/39/607657639.db2.gz RPGDOOJXFSCCSZ-SNVBAGLBSA-N -1 1 373.479 2.158 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000828793866 604020082 /nfs/dbraw/zinc/02/00/82/604020082.db2.gz PJUBWSUQMLQXNA-JSGCOSHPSA-N -1 1 360.414 2.149 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000827994676 604022892 /nfs/dbraw/zinc/02/28/92/604022892.db2.gz MTTXIUQTAFXSDX-MRXNPFEDSA-N -1 1 366.437 2.212 20 0 FEADMM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000824867922 604080044 /nfs/dbraw/zinc/08/00/44/604080044.db2.gz HCNPYTFQPIGCBI-LBPRGKRZSA-N -1 1 368.865 2.276 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000825236144 604093228 /nfs/dbraw/zinc/09/32/28/604093228.db2.gz LMZNYIOKUZMNEO-STQMWFEESA-N -1 1 358.402 2.167 20 0 FEADMM CCC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000825171386 607672172 /nfs/dbraw/zinc/67/21/72/607672172.db2.gz OMLZIYANILGOBX-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000825229833 604115021 /nfs/dbraw/zinc/11/50/21/604115021.db2.gz WBADZQUENCLFTR-RDJZCZTQSA-N -1 1 374.485 2.122 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)Nc3cc(C(=O)[O-])cs3)c2)CC1 ZINC000830954962 604316275 /nfs/dbraw/zinc/31/62/75/604316275.db2.gz UFTYVGQPHGIZKD-UHFFFAOYSA-N -1 1 359.451 2.446 20 0 FEADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000827620124 604336568 /nfs/dbraw/zinc/33/65/68/604336568.db2.gz GHXCRLXAVQMFSB-LBPRGKRZSA-N -1 1 360.374 2.062 20 0 FEADMM COC(=O)c1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1C(=O)[O-] ZINC000831416724 604350156 /nfs/dbraw/zinc/35/01/56/604350156.db2.gz AVLQKESONAQQHK-ZDUSSCGKSA-N -1 1 358.354 2.094 20 0 FEADMM O=C([O-])CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000486185537 604419602 /nfs/dbraw/zinc/41/96/02/604419602.db2.gz HRQOVLYXTWOXAS-UHFFFAOYSA-N -1 1 364.361 2.143 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)ccc1OCC(=O)[O-] ZINC000830037411 604424845 /nfs/dbraw/zinc/42/48/45/604424845.db2.gz CVLWZKAPXMAXCJ-ZDUSSCGKSA-N -1 1 359.382 2.079 20 0 FEADMM O=C([O-])NC1(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000832163092 604429911 /nfs/dbraw/zinc/42/99/11/604429911.db2.gz UEPZGYUKQYVPQF-CQSZACIVSA-N -1 1 351.834 2.393 20 0 FEADMM CCOC(=O)N[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)C1 ZINC000829861244 604458217 /nfs/dbraw/zinc/45/82/17/604458217.db2.gz PBQUBECURFXMQW-CJNGLKHVSA-N -1 1 366.414 2.040 20 0 FEADMM CCOC(=O)Cc1ncccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833659033 604502613 /nfs/dbraw/zinc/50/26/13/604502613.db2.gz OXKFXTQQKTZDHT-UHFFFAOYSA-N -1 1 368.349 2.014 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)n[nH]1 ZINC000832907928 604676753 /nfs/dbraw/zinc/67/67/53/604676753.db2.gz BSZLAFBMKWFYOQ-OAHLLOKOSA-N -1 1 359.430 2.116 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000833626020 604721284 /nfs/dbraw/zinc/72/12/84/604721284.db2.gz NXQHYRMSMWPZHH-NUJGCVRESA-N -1 1 374.481 2.418 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cccc(F)c1F ZINC000826295044 607716777 /nfs/dbraw/zinc/71/67/77/607716777.db2.gz ODECVAYFXUWEMD-UHFFFAOYSA-N -1 1 354.320 2.212 20 0 FEADMM CN(C)Cc1ccsc1C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000833689581 604852818 /nfs/dbraw/zinc/85/28/18/604852818.db2.gz JCVLYFVKQLCRAK-CQSZACIVSA-N -1 1 366.414 2.211 20 0 FEADMM O=C([O-])c1cncc(NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000062946996 604889563 /nfs/dbraw/zinc/88/95/63/604889563.db2.gz XRCSZGFLOKNSFW-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM C[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825107754 604896188 /nfs/dbraw/zinc/89/61/88/604896188.db2.gz IAQSWAVEDPRPOL-GXSJLCMTSA-N -1 1 366.805 2.162 20 0 FEADMM CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833462204 604915410 /nfs/dbraw/zinc/91/54/10/604915410.db2.gz CEDUDFUKWVSYHV-CYBMUJFWSA-N -1 1 358.398 2.237 20 0 FEADMM CCc1ccc([C@@]2(CC)NC(=O)N(CN3CCC[C@@H]3CC(=O)[O-])C2=O)cc1 ZINC000830237283 604975975 /nfs/dbraw/zinc/97/59/75/604975975.db2.gz INPUTBFYUBFMOL-OXQOHEQNSA-N -1 1 373.453 2.303 20 0 FEADMM C[C@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000828123156 604981354 /nfs/dbraw/zinc/98/13/54/604981354.db2.gz UKZSTMVDLQRFBN-CXAGYDPISA-N -1 1 365.817 2.004 20 0 FEADMM CC(C)(C)c1ccc(N2CCC(NCc3cn(CC(=O)[O-])nn3)CC2)cc1 ZINC000833449145 605005274 /nfs/dbraw/zinc/00/52/74/605005274.db2.gz NWWAHTIBEVEKBR-UHFFFAOYSA-N -1 1 371.485 2.419 20 0 FEADMM CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1 ZINC000833655565 605041796 /nfs/dbraw/zinc/04/17/96/605041796.db2.gz DRIOEWOAEJFZSF-PWSUYJOCSA-N -1 1 368.480 2.218 20 0 FEADMM CC(C)(C)OC(=O)CSCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833434371 605058731 /nfs/dbraw/zinc/05/87/31/605058731.db2.gz KWBBEOPHLQIIQB-UHFFFAOYSA-N -1 1 365.411 2.275 20 0 FEADMM C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)[O-])cc3c2C1 ZINC000833617656 605075287 /nfs/dbraw/zinc/07/52/87/605075287.db2.gz UVLOIURHMGAULW-VOJFVSQTSA-N -1 1 366.421 2.442 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(OC(F)(F)F)c1 ZINC000833623067 605102574 /nfs/dbraw/zinc/10/25/74/605102574.db2.gz DIRUSCXNIHMXFX-NSHDSACASA-N -1 1 360.332 2.206 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000833620158 605105139 /nfs/dbraw/zinc/10/51/39/605105139.db2.gz KNRZERZJVCWCLD-UXIGCNINSA-N -1 1 352.381 2.076 20 0 FEADMM CC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@@H](C)C1 ZINC000823972462 607735811 /nfs/dbraw/zinc/73/58/11/607735811.db2.gz BPYVBDCULVPYFO-SMDDNHRTSA-N -1 1 351.414 2.084 20 0 FEADMM CC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@@H](C)C1 ZINC000823972462 607735812 /nfs/dbraw/zinc/73/58/12/607735812.db2.gz BPYVBDCULVPYFO-SMDDNHRTSA-N -1 1 351.414 2.084 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C[C@H]1C ZINC000833655925 605162280 /nfs/dbraw/zinc/16/22/80/605162280.db2.gz HPGOJJQQFVWBPW-NEPJUHHUSA-N -1 1 363.414 2.118 20 0 FEADMM CC1CCC(N(C(=O)CN2CCN(CCC(=O)[O-])C[C@H]2C)C2CC2)CC1 ZINC000833601378 605186345 /nfs/dbraw/zinc/18/63/45/605186345.db2.gz BDHKXZYBRWKFTQ-AQFXKWCLSA-N -1 1 365.518 2.037 20 0 FEADMM CN(CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000833691170 605196602 /nfs/dbraw/zinc/19/66/02/605196602.db2.gz KUMQDUADZVQIHM-AWEZNQCLSA-N -1 1 356.875 2.191 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000833629759 605197417 /nfs/dbraw/zinc/19/74/17/605197417.db2.gz ZGEGHEVPKLVHSZ-LBPRGKRZSA-N -1 1 373.375 2.125 20 0 FEADMM C[C@H]1COc2ccccc2CN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000652443295 605224077 /nfs/dbraw/zinc/22/40/77/605224077.db2.gz RPSVTCAKUIOGJK-WMLDXEAASA-N -1 1 357.406 2.408 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])[nH]n1 ZINC000831031474 605337398 /nfs/dbraw/zinc/33/73/98/605337398.db2.gz QEAIGZYIJWFMBR-ZDUSSCGKSA-N -1 1 368.397 2.018 20 0 FEADMM CC[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC[C@H]1NC(=O)[O-] ZINC000833847986 605371945 /nfs/dbraw/zinc/37/19/45/605371945.db2.gz LAOAGPZQWORWTD-TZMCWYRMSA-N -1 1 372.429 2.049 20 0 FEADMM CC[C@@H]1CN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC[C@H]1NC(=O)[O-] ZINC000833847986 605371953 /nfs/dbraw/zinc/37/19/53/605371953.db2.gz LAOAGPZQWORWTD-TZMCWYRMSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000833622230 605375786 /nfs/dbraw/zinc/37/57/86/605375786.db2.gz KTKNBHIJDMQBLP-DIOULYMOSA-N -1 1 356.825 2.257 20 0 FEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000833682810 605427096 /nfs/dbraw/zinc/42/70/96/605427096.db2.gz LYMCSCALOTUQEJ-VXGBXAGGSA-N -1 1 358.460 2.081 20 0 FEADMM Cn1c(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)nnc1-c1ccccc1 ZINC000833941428 605446072 /nfs/dbraw/zinc/44/60/72/605446072.db2.gz LOMXXYUXHJQXON-XHSDSOJGSA-N -1 1 355.442 2.350 20 0 FEADMM O=C([O-])N1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000834108912 605475505 /nfs/dbraw/zinc/47/55/05/605475505.db2.gz DEPZMDNUQZXURR-UHFFFAOYSA-N -1 1 358.398 2.034 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N[C@H]1CCOC1 ZINC000826441891 607759034 /nfs/dbraw/zinc/75/90/34/607759034.db2.gz AKZHBHIFASZPTB-ZDUSSCGKSA-N -1 1 370.438 2.183 20 0 FEADMM NC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)cc21 ZINC000833986465 605583807 /nfs/dbraw/zinc/58/38/07/605583807.db2.gz RCAACHZNOKAZOI-UHFFFAOYSA-N -1 1 357.301 2.143 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000825815925 605598507 /nfs/dbraw/zinc/59/85/07/605598507.db2.gz GIIJTELUFQUBAR-FRRDWIJNSA-N -1 1 354.476 2.181 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000833982905 605694593 /nfs/dbraw/zinc/69/45/93/605694593.db2.gz ZEWSEDMAHBZJET-NJAFHUGGSA-N -1 1 374.485 2.375 20 0 FEADMM O=C([O-])Nc1cccc(CC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000834266405 605759522 /nfs/dbraw/zinc/75/95/22/605759522.db2.gz FVMMEDIHYLMMTH-UHFFFAOYSA-N -1 1 353.422 2.494 20 0 FEADMM O=C([O-])Nc1cccc(CC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000834267348 605762694 /nfs/dbraw/zinc/76/26/94/605762694.db2.gz REXCWHYMBTUFPM-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000834021566 605790591 /nfs/dbraw/zinc/79/05/91/605790591.db2.gz HIVOYXVFBMGTFQ-GJZGRUSLSA-N -1 1 361.442 2.313 20 0 FEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000834044401 605939688 /nfs/dbraw/zinc/93/96/88/605939688.db2.gz GRAJDYPDFGMCEW-LBPRGKRZSA-N -1 1 360.389 2.141 20 0 FEADMM O=C([O-])NC1CCC(N[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000834164991 605985030 /nfs/dbraw/zinc/98/50/30/605985030.db2.gz MJJUPRHUJVKUPH-ORHYLEIMSA-N -1 1 356.419 2.213 20 0 FEADMM O=C(CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)Nc1ccccc1F ZINC000810071311 674529550 /nfs/dbraw/zinc/52/95/50/674529550.db2.gz BEIPAVPOWWNQRW-NSHDSACASA-N -1 1 361.339 2.155 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)c1ccccc1 ZINC000820507629 606133826 /nfs/dbraw/zinc/13/38/26/606133826.db2.gz ITVJOZWEFUVCIM-SNVBAGLBSA-N -1 1 357.395 2.137 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)c1ccccc1 ZINC000820507629 606133827 /nfs/dbraw/zinc/13/38/27/606133827.db2.gz ITVJOZWEFUVCIM-SNVBAGLBSA-N -1 1 357.395 2.137 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000822248779 606136756 /nfs/dbraw/zinc/13/67/56/606136756.db2.gz NHQIYYNSZUACIY-UHFFFAOYSA-N -1 1 361.358 2.171 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000822248779 606136757 /nfs/dbraw/zinc/13/67/57/606136757.db2.gz NHQIYYNSZUACIY-UHFFFAOYSA-N -1 1 361.358 2.171 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000820512061 606137048 /nfs/dbraw/zinc/13/70/48/606137048.db2.gz GEKPYJYXFIQYIX-GARJFASQSA-N -1 1 363.443 2.168 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000820512061 606137050 /nfs/dbraw/zinc/13/70/50/606137050.db2.gz GEKPYJYXFIQYIX-GARJFASQSA-N -1 1 363.443 2.168 20 0 FEADMM COc1cc(Cl)c(C)cc1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821717677 606158934 /nfs/dbraw/zinc/15/89/34/606158934.db2.gz SXHGSYUEJGWEEC-UHFFFAOYSA-N -1 1 362.781 2.215 20 0 FEADMM COc1cc(Cl)c(C)cc1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821717677 606158936 /nfs/dbraw/zinc/15/89/36/606158936.db2.gz SXHGSYUEJGWEEC-UHFFFAOYSA-N -1 1 362.781 2.215 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3ccc(Cl)cc3)CC2)n1 ZINC000822609104 606161376 /nfs/dbraw/zinc/16/13/76/606161376.db2.gz JUSCLTMVRWLWAQ-UHFFFAOYSA-N -1 1 358.793 2.064 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3ccc(Cl)cc3)CC2)n1 ZINC000822609104 606161377 /nfs/dbraw/zinc/16/13/77/606161377.db2.gz JUSCLTMVRWLWAQ-UHFFFAOYSA-N -1 1 358.793 2.064 20 0 FEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820299156 606161739 /nfs/dbraw/zinc/16/17/39/606161739.db2.gz CNTRRXAJFUNILZ-VIFPVBQESA-N -1 1 360.809 2.006 20 0 FEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820299156 606161740 /nfs/dbraw/zinc/16/17/40/606161740.db2.gz CNTRRXAJFUNILZ-VIFPVBQESA-N -1 1 360.809 2.006 20 0 FEADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820743138 606172476 /nfs/dbraw/zinc/17/24/76/606172476.db2.gz QUFRMXJNGVXLKG-JSGCOSHPSA-N -1 1 366.429 2.258 20 0 FEADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820743138 606172477 /nfs/dbraw/zinc/17/24/77/606172477.db2.gz QUFRMXJNGVXLKG-JSGCOSHPSA-N -1 1 366.429 2.258 20 0 FEADMM Clc1nsc(NCc2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000822591822 606218407 /nfs/dbraw/zinc/21/84/07/606218407.db2.gz XJKHZEXATRVMTR-UHFFFAOYSA-N -1 1 350.791 2.360 20 0 FEADMM Clc1nsc(NCc2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000822591822 606218409 /nfs/dbraw/zinc/21/84/09/606218409.db2.gz XJKHZEXATRVMTR-UHFFFAOYSA-N -1 1 350.791 2.360 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC[C@H]1CCCC1=O ZINC000822542028 606227309 /nfs/dbraw/zinc/22/73/09/606227309.db2.gz SRBDMATWVDHAHM-GFCCVEGCSA-N -1 1 369.381 2.475 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC[C@H]1CCCC1=O ZINC000822542028 606227311 /nfs/dbraw/zinc/22/73/11/606227311.db2.gz SRBDMATWVDHAHM-GFCCVEGCSA-N -1 1 369.381 2.475 20 0 FEADMM CCc1ccccc1OCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000821496960 606237359 /nfs/dbraw/zinc/23/73/59/606237359.db2.gz MXVDVKYPCIONNW-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM CCc1ccccc1OCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821496960 606237361 /nfs/dbraw/zinc/23/73/61/606237361.db2.gz MXVDVKYPCIONNW-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821361707 606284475 /nfs/dbraw/zinc/28/44/75/606284475.db2.gz WRNFTHZHDFNDFS-HUUCEWRRSA-N -1 1 356.430 2.119 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821361707 606284476 /nfs/dbraw/zinc/28/44/76/606284476.db2.gz WRNFTHZHDFNDFS-HUUCEWRRSA-N -1 1 356.430 2.119 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821825332 606295460 /nfs/dbraw/zinc/29/54/60/606295460.db2.gz XBPITBXXBDPQGX-UHFFFAOYSA-N -1 1 359.773 2.416 20 0 FEADMM Nc1n[nH]c(CCCNc2cc3ccccc3c(Cl)n2)c1-c1nn[n-]n1 ZINC000822899708 606442191 /nfs/dbraw/zinc/44/21/91/606442191.db2.gz PNUFEJKXZRWGEO-UHFFFAOYSA-N -1 1 369.820 2.418 20 0 FEADMM CNC(=O)CCOc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821633128 606464723 /nfs/dbraw/zinc/46/47/23/606464723.db2.gz ZQVCLKXOKKLLNH-UHFFFAOYSA-N -1 1 373.804 2.174 20 0 FEADMM CNC(=O)CCOc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821633128 606464725 /nfs/dbraw/zinc/46/47/25/606464725.db2.gz ZQVCLKXOKKLLNH-UHFFFAOYSA-N -1 1 373.804 2.174 20 0 FEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)cc1F ZINC000821668300 606501817 /nfs/dbraw/zinc/50/18/17/606501817.db2.gz ZSNHUSPASKDHJD-UHFFFAOYSA-N -1 1 365.321 2.245 20 0 FEADMM CCn1cc(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cn1 ZINC000821565132 606568192 /nfs/dbraw/zinc/56/81/92/606568192.db2.gz FNTCWPGPENWBIJ-UHFFFAOYSA-N -1 1 357.443 2.164 20 0 FEADMM CCn1cc(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cn1 ZINC000821565132 606568194 /nfs/dbraw/zinc/56/81/94/606568194.db2.gz FNTCWPGPENWBIJ-UHFFFAOYSA-N -1 1 357.443 2.164 20 0 FEADMM COc1cccc(O[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821873681 606575050 /nfs/dbraw/zinc/57/50/50/606575050.db2.gz WPVAUJIRMUQLPB-SNVBAGLBSA-N -1 1 359.411 2.134 20 0 FEADMM COc1cccc(O[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821873681 606575051 /nfs/dbraw/zinc/57/50/51/606575051.db2.gz WPVAUJIRMUQLPB-SNVBAGLBSA-N -1 1 359.411 2.134 20 0 FEADMM Cc1noc(C2CCC(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000822528262 606604328 /nfs/dbraw/zinc/60/43/28/606604328.db2.gz ZEKZBFRNHYUVMR-UHFFFAOYSA-N -1 1 359.415 2.076 20 0 FEADMM Cc1noc(C2CCC(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000822528262 606604330 /nfs/dbraw/zinc/60/43/30/606604330.db2.gz ZEKZBFRNHYUVMR-UHFFFAOYSA-N -1 1 359.415 2.076 20 0 FEADMM C[C@@H](CC(=O)c1ccccc1F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820225489 606652460 /nfs/dbraw/zinc/65/24/60/606652460.db2.gz JSIFELYQJMZARQ-NSHDSACASA-N -1 1 369.356 2.353 20 0 FEADMM C[C@@H](CC(=O)c1ccccc1F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820225489 606652461 /nfs/dbraw/zinc/65/24/61/606652461.db2.gz JSIFELYQJMZARQ-NSHDSACASA-N -1 1 369.356 2.353 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](C(C)C)C1 ZINC000822004993 606689693 /nfs/dbraw/zinc/68/96/93/606689693.db2.gz MXQLWYWYTKDLMT-CYBMUJFWSA-N -1 1 358.446 2.021 20 0 FEADMM CN(C)c1ccc(-c2nn[nH]n2)c([N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000821588302 606751343 /nfs/dbraw/zinc/75/13/43/606751343.db2.gz LQVRJRSBAXYBFE-KHPPLWFESA-N -1 1 370.438 2.345 20 0 FEADMM CN(CC1CCCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821596895 606841141 /nfs/dbraw/zinc/84/11/41/606841141.db2.gz XUYGONCGCHFBPR-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1C1CCCCC1 ZINC000823520868 607043872 /nfs/dbraw/zinc/04/38/72/607043872.db2.gz OCRGYOKJTMAVLB-JTQLQIEISA-N -1 1 361.837 2.261 20 0 FEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1C1CCCCC1 ZINC000823520868 607043874 /nfs/dbraw/zinc/04/38/74/607043874.db2.gz OCRGYOKJTMAVLB-JTQLQIEISA-N -1 1 361.837 2.261 20 0 FEADMM CC(C)C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820067088 607048558 /nfs/dbraw/zinc/04/85/58/607048558.db2.gz CENYXCWZTKFATE-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM CC(C)C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820067088 607048559 /nfs/dbraw/zinc/04/85/59/607048559.db2.gz CENYXCWZTKFATE-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820549573 607102887 /nfs/dbraw/zinc/10/28/87/607102887.db2.gz PCBQVZHRNDQWAW-SSDOTTSWSA-N -1 1 350.791 2.383 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820549573 607102889 /nfs/dbraw/zinc/10/28/89/607102889.db2.gz PCBQVZHRNDQWAW-SSDOTTSWSA-N -1 1 350.791 2.383 20 0 FEADMM Cc1cc(F)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826268719 607852148 /nfs/dbraw/zinc/85/21/48/607852148.db2.gz KLUKXJGTPIFZML-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cc(F)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826268719 607852149 /nfs/dbraw/zinc/85/21/49/607852149.db2.gz KLUKXJGTPIFZML-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM COc1ccccc1CN(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826220020 607864476 /nfs/dbraw/zinc/86/44/76/607864476.db2.gz ZHXINPJJKFEEGU-UHFFFAOYSA-N -1 1 371.372 2.052 20 0 FEADMM COc1ccccc1CN(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826220020 607864477 /nfs/dbraw/zinc/86/44/77/607864477.db2.gz ZHXINPJJKFEEGU-UHFFFAOYSA-N -1 1 371.372 2.052 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826268788 607867659 /nfs/dbraw/zinc/86/76/59/607867659.db2.gz NMZMJFYDVBIJTH-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826268788 607867660 /nfs/dbraw/zinc/86/76/60/607867660.db2.gz NMZMJFYDVBIJTH-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM COc1ccc(C[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826191614 607977362 /nfs/dbraw/zinc/97/73/62/607977362.db2.gz LHDGSJHNMUDRPQ-LBPRGKRZSA-N -1 1 353.382 2.192 20 0 FEADMM COc1ccc(C[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826191614 607977363 /nfs/dbraw/zinc/97/73/63/607977363.db2.gz LHDGSJHNMUDRPQ-LBPRGKRZSA-N -1 1 353.382 2.192 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(F)c(F)c(F)c1F ZINC000826450863 607998155 /nfs/dbraw/zinc/99/81/55/607998155.db2.gz HCYBJWOXNBHJLT-UHFFFAOYSA-N -1 1 353.235 2.381 20 0 FEADMM Cn1c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2nc1C1CC1 ZINC000826355403 608031291 /nfs/dbraw/zinc/03/12/91/608031291.db2.gz XXAVBUTXIIVAKZ-UHFFFAOYSA-N -1 1 360.381 2.278 20 0 FEADMM Cn1c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2nc1C1CC1 ZINC000826355403 608031292 /nfs/dbraw/zinc/03/12/92/608031292.db2.gz XXAVBUTXIIVAKZ-UHFFFAOYSA-N -1 1 360.381 2.278 20 0 FEADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000826430142 608102080 /nfs/dbraw/zinc/10/20/80/608102080.db2.gz VCZZKRGJGKHNAN-XLDPMVHQSA-N -1 1 353.498 2.038 20 0 FEADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000826430142 608102081 /nfs/dbraw/zinc/10/20/81/608102081.db2.gz VCZZKRGJGKHNAN-XLDPMVHQSA-N -1 1 353.498 2.038 20 0 FEADMM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826430629 608102849 /nfs/dbraw/zinc/10/28/49/608102849.db2.gz HJKKZWMIQZESOB-NSHDSACASA-N -1 1 372.429 2.466 20 0 FEADMM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826430629 608102850 /nfs/dbraw/zinc/10/28/50/608102850.db2.gz HJKKZWMIQZESOB-NSHDSACASA-N -1 1 372.429 2.466 20 0 FEADMM COc1ccccc1SCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826220989 608117620 /nfs/dbraw/zinc/11/76/20/608117620.db2.gz JWXXJZCYLOJFKK-UHFFFAOYSA-N -1 1 357.395 2.106 20 0 FEADMM COc1ccccc1SCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826220989 608117621 /nfs/dbraw/zinc/11/76/21/608117621.db2.gz JWXXJZCYLOJFKK-UHFFFAOYSA-N -1 1 357.395 2.106 20 0 FEADMM COCC(=O)Nc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826147752 608174319 /nfs/dbraw/zinc/17/43/19/608174319.db2.gz KWMREFXOXNRQRQ-UHFFFAOYSA-N -1 1 365.806 2.305 20 0 FEADMM COCC(=O)Nc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826147752 608174320 /nfs/dbraw/zinc/17/43/20/608174320.db2.gz KWMREFXOXNRQRQ-UHFFFAOYSA-N -1 1 365.806 2.305 20 0 FEADMM Clc1nsc(N2CCOC[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826354321 608189218 /nfs/dbraw/zinc/18/92/18/608189218.db2.gz XXDJERZQXVHGDS-LLVKDONJSA-N -1 1 362.846 2.425 20 0 FEADMM Clc1nsc(N2CCOC[C@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826354321 608189219 /nfs/dbraw/zinc/18/92/19/608189219.db2.gz XXDJERZQXVHGDS-LLVKDONJSA-N -1 1 362.846 2.425 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826231796 608200066 /nfs/dbraw/zinc/20/00/66/608200066.db2.gz ZTZZEMQHJRHTOT-ONGXEEELSA-N -1 1 374.470 2.016 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1-c1nn[n-]n1 ZINC000826229567 608202555 /nfs/dbraw/zinc/20/25/55/608202555.db2.gz JEQWBXBTHNTGKP-SNVBAGLBSA-N -1 1 374.470 2.342 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CC23CCCCC3)cc1-c1nn[n-]n1 ZINC000826229934 608202602 /nfs/dbraw/zinc/20/26/02/608202602.db2.gz XBTXEMLKBAOKHZ-NSHDSACASA-N -1 1 360.443 2.142 20 0 FEADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826403941 608277558 /nfs/dbraw/zinc/27/75/58/608277558.db2.gz JEOPONMVMDWGNJ-CQSZACIVSA-N -1 1 359.773 2.288 20 0 FEADMM COc1ncc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cn1 ZINC000826221775 608347299 /nfs/dbraw/zinc/34/72/99/608347299.db2.gz UGTSIWMWBQJPHL-UHFFFAOYSA-N -1 1 359.415 2.277 20 0 FEADMM COc1ncc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cn1 ZINC000826221775 608347301 /nfs/dbraw/zinc/34/73/01/608347301.db2.gz UGTSIWMWBQJPHL-UHFFFAOYSA-N -1 1 359.415 2.277 20 0 FEADMM c1cc(-c2nc(Sc3ccc(-c4nn[n-]n4)nn3)n[nH]2)cc2c1CCC2 ZINC000826517424 608425219 /nfs/dbraw/zinc/42/52/19/608425219.db2.gz BSOKGLLKFSAPLB-UHFFFAOYSA-N -1 1 363.410 2.082 20 0 FEADMM CCCCCC(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825268570 608559036 /nfs/dbraw/zinc/55/90/36/608559036.db2.gz VBSSKQCZVTWZKS-UHFFFAOYSA-N -1 1 362.482 2.170 20 0 FEADMM CCCCCC(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825268570 608559038 /nfs/dbraw/zinc/55/90/38/608559038.db2.gz VBSSKQCZVTWZKS-UHFFFAOYSA-N -1 1 362.482 2.170 20 0 FEADMM CC(C)(C)Oc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000824123601 608562982 /nfs/dbraw/zinc/56/29/82/608562982.db2.gz HDTKVNRITGSRLB-UHFFFAOYSA-N -1 1 354.370 2.191 20 0 FEADMM CC(C)(C)Oc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000824123601 608562983 /nfs/dbraw/zinc/56/29/83/608562983.db2.gz HDTKVNRITGSRLB-UHFFFAOYSA-N -1 1 354.370 2.191 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477970 609172032 /nfs/dbraw/zinc/17/20/32/609172032.db2.gz QNRQEGVQQOHFPY-CYBMUJFWSA-N -1 1 373.779 2.272 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477970 609172034 /nfs/dbraw/zinc/17/20/34/609172034.db2.gz QNRQEGVQQOHFPY-CYBMUJFWSA-N -1 1 373.779 2.272 20 0 FEADMM COC(=O)CN(CCc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826138439 609172953 /nfs/dbraw/zinc/17/29/53/609172953.db2.gz VCDAMWTUUHLJNZ-UHFFFAOYSA-N -1 1 372.816 2.137 20 0 FEADMM COC(=O)CN(CCc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826138439 609172955 /nfs/dbraw/zinc/17/29/55/609172955.db2.gz VCDAMWTUUHLJNZ-UHFFFAOYSA-N -1 1 372.816 2.137 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CC=CCC1 ZINC000826458320 609289947 /nfs/dbraw/zinc/28/99/47/609289947.db2.gz LUSSFPDHQREHKY-NSHDSACASA-N -1 1 353.361 2.486 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H](F)Cc2ccccc2)n1 ZINC000824148542 609325590 /nfs/dbraw/zinc/32/55/90/609325590.db2.gz ZHBHTHWQDYFAKB-CYBMUJFWSA-N -1 1 357.393 2.338 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H](F)Cc2ccccc2)n1 ZINC000824148542 609325592 /nfs/dbraw/zinc/32/55/92/609325592.db2.gz ZHBHTHWQDYFAKB-CYBMUJFWSA-N -1 1 357.393 2.338 20 0 FEADMM C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@@H]1C ZINC000824948749 609358130 /nfs/dbraw/zinc/35/81/30/609358130.db2.gz VQVCFPUBTOBQFV-GHMZBOCLSA-N -1 1 370.392 2.454 20 0 FEADMM COc1ccc2c(c1)CCCCN2C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826212737 609468781 /nfs/dbraw/zinc/46/87/81/609468781.db2.gz ZUSJNPBDOKFEPG-UHFFFAOYSA-N -1 1 368.397 2.084 20 0 FEADMM COc1ccc2c(c1)CCCCN2C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826212737 609468783 /nfs/dbraw/zinc/46/87/83/609468783.db2.gz ZUSJNPBDOKFEPG-UHFFFAOYSA-N -1 1 368.397 2.084 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3ccccc3CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826346411 609469148 /nfs/dbraw/zinc/46/91/48/609469148.db2.gz LTOVGCNSGUOWSU-BMLIUANNSA-N -1 1 352.398 2.145 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3ccccc3CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826346411 609469151 /nfs/dbraw/zinc/46/91/51/609469151.db2.gz LTOVGCNSGUOWSU-BMLIUANNSA-N -1 1 352.398 2.145 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000826341038 609623202 /nfs/dbraw/zinc/62/32/02/609623202.db2.gz UMGYTPADMDYZHW-WCQYABFASA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000826341038 609623203 /nfs/dbraw/zinc/62/32/03/609623203.db2.gz UMGYTPADMDYZHW-WCQYABFASA-N -1 1 370.413 2.104 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)cc1C ZINC000560232168 674572665 /nfs/dbraw/zinc/57/26/65/674572665.db2.gz YPPKHBYHXHSVEU-UHFFFAOYSA-N -1 1 360.391 2.030 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)no2)C2CCOCC2)s1 ZINC000560324342 674577473 /nfs/dbraw/zinc/57/74/73/674577473.db2.gz VOIBFECBFFFDCZ-CYBMUJFWSA-N -1 1 357.457 2.194 20 0 FEADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000811835583 674632504 /nfs/dbraw/zinc/63/25/04/674632504.db2.gz CBBQXCQITDVSIY-UHFFFAOYSA-N -1 1 351.815 2.130 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(F)(F)C2)C1)C(F)(F)F ZINC000811894911 674636650 /nfs/dbraw/zinc/63/66/50/674636650.db2.gz DFYMYXGFWNUGJG-VHSXEESVSA-N -1 1 357.323 2.274 20 0 FEADMM COc1nc(C)cc(C)c1CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000561295416 674654170 /nfs/dbraw/zinc/65/41/70/674654170.db2.gz OOETXSFXXZXJHZ-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM COc1nc(C)cc(C)c1CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000561295416 674654173 /nfs/dbraw/zinc/65/41/73/674654173.db2.gz OOETXSFXXZXJHZ-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM CCOc1cccnc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274877 674660816 /nfs/dbraw/zinc/66/08/16/674660816.db2.gz LJRXMOKMGIQHEO-LLVKDONJSA-N -1 1 359.348 2.011 20 0 FEADMM O=C(Cc1ccc(Cl)cn1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274974 674661069 /nfs/dbraw/zinc/66/10/69/674661069.db2.gz NBDDEYROCPIGEB-JTQLQIEISA-N -1 1 363.767 2.195 20 0 FEADMM O=C([N-]OC1CCC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000812788697 674698362 /nfs/dbraw/zinc/69/83/62/674698362.db2.gz WBHBTUDHQIFSKC-SNVBAGLBSA-N -1 1 353.216 2.402 20 0 FEADMM Cc1ccncc1/C=C\C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813282783 674733472 /nfs/dbraw/zinc/73/34/72/674733472.db2.gz AIGAAVYJOVEBDJ-DSYXLKISSA-N -1 1 355.360 2.320 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccncc3)C2)sc1C ZINC000562731637 674796955 /nfs/dbraw/zinc/79/69/55/674796955.db2.gz UQMBEUFMPIAXEO-KBPBESRZSA-N -1 1 353.469 2.354 20 0 FEADMM CCC(Nc1cc(C)ccc1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814334881 674832181 /nfs/dbraw/zinc/83/21/81/674832181.db2.gz JLILHWMPMNVWEH-FYWRMAATSA-N -1 1 361.467 2.269 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)[C@@H]1CCCOC1 ZINC000814389198 674839204 /nfs/dbraw/zinc/83/92/04/674839204.db2.gz FCDBVDGHYLANHX-NDUQDZPOSA-N -1 1 373.515 2.235 20 0 FEADMM O=C([O-])c1sc2ccsc2c1CNS(=O)(=O)CCN1CCCC1 ZINC000563073106 674845082 /nfs/dbraw/zinc/84/50/82/674845082.db2.gz WWLWYDGIJGJORX-UHFFFAOYSA-N -1 1 374.509 2.176 20 0 FEADMM COC(=O)c1ccc(Br)c(S(=O)(=O)[N-]CC(C)(F)F)c1 ZINC000815066904 674909932 /nfs/dbraw/zinc/90/99/32/674909932.db2.gz IYKGDSZKHRWBLD-UHFFFAOYSA-N -1 1 372.187 2.169 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2cc(Cl)ccc2F)C(=O)[N-]C1=S ZINC000009877035 669985436 /nfs/dbraw/zinc/98/54/36/669985436.db2.gz HXKAFSPRRGHHHD-WQLSENKSSA-N -1 1 371.821 2.055 20 0 FEADMM Cc1ccoc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000016416456 670019326 /nfs/dbraw/zinc/01/93/26/670019326.db2.gz SLAJLAKTKUCQOH-UHFFFAOYSA-N -1 1 353.277 2.303 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1OCC ZINC000016727818 670021492 /nfs/dbraw/zinc/02/14/92/670021492.db2.gz QGPNCZWMSVAJJJ-UHFFFAOYSA-N -1 1 364.423 2.384 20 0 FEADMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000025369284 670061829 /nfs/dbraw/zinc/06/18/29/670061829.db2.gz XNHSTWYUHILYLH-UHFFFAOYSA-N -1 1 361.379 2.036 20 0 FEADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000027069688 670076321 /nfs/dbraw/zinc/07/63/21/670076321.db2.gz YSVSNTPKUHOOBT-UHFFFAOYSA-N -1 1 356.350 2.399 20 0 FEADMM Cc1sc2ncn([N-]C(=O)c3cc(-c4ccco4)[nH]n3)c(=O)c2c1C ZINC000028493006 670091554 /nfs/dbraw/zinc/09/15/54/670091554.db2.gz RUCXJXYVEYCDAR-UHFFFAOYSA-N -1 1 355.379 2.442 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)cc1F ZINC000032590709 670130269 /nfs/dbraw/zinc/13/02/69/670130269.db2.gz FLVWJCMKBZEIFO-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000032629945 670130903 /nfs/dbraw/zinc/13/09/03/670130903.db2.gz KMMSWMLMWDPTJH-UHFFFAOYSA-N -1 1 358.375 2.001 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2ccccc2OC(F)(F)F)n1 ZINC000045313645 670202764 /nfs/dbraw/zinc/20/27/64/670202764.db2.gz TWWMBYSDNHQXSB-UHFFFAOYSA-N -1 1 357.292 2.210 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)o1 ZINC000046315476 670220599 /nfs/dbraw/zinc/22/05/99/670220599.db2.gz XMNFEOPYCOEKMR-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3s2)o1 ZINC000046316112 670220791 /nfs/dbraw/zinc/22/07/91/670220791.db2.gz SOHMGOIKHDHNSY-UHFFFAOYSA-N -1 1 352.393 2.154 20 0 FEADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000048487832 670264300 /nfs/dbraw/zinc/26/43/00/670264300.db2.gz NWVFMHWOOFQBDZ-RKDXNWHRSA-N -1 1 363.189 2.068 20 0 FEADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 ZINC000055637435 670353212 /nfs/dbraw/zinc/35/32/12/670353212.db2.gz IYZASEZIIQJVDO-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc(OC)c1 ZINC000065621426 670431087 /nfs/dbraw/zinc/43/10/87/670431087.db2.gz ZMLGJSFFMHSASH-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM CCn1c(CNC(=O)Cc2c(C)nn(CC(C)C)c2C)n[n-]c1=S ZINC000066636539 670445369 /nfs/dbraw/zinc/44/53/69/670445369.db2.gz LSYZSQOQUHTYBU-UHFFFAOYSA-N -1 1 350.492 2.289 20 0 FEADMM CCCc1noc(CCCC(=O)NCc2n[n-]c(=S)n2C(C)C)n1 ZINC000066639058 670445675 /nfs/dbraw/zinc/44/56/75/670445675.db2.gz KKTIUGVYSJKXSV-UHFFFAOYSA-N -1 1 352.464 2.496 20 0 FEADMM Cc1c(C(=O)NCc2n[n-]c(=S)n2C2CC2)cnn1-c1ccccn1 ZINC000066638136 670445684 /nfs/dbraw/zinc/44/56/84/670445684.db2.gz ZMMSSRBBAWMKID-UHFFFAOYSA-N -1 1 355.427 2.095 20 0 FEADMM CC(C)(C)c1noc(CCC(=O)NCc2n[n-]c(=S)n2C2CC2)n1 ZINC000066638151 670445852 /nfs/dbraw/zinc/44/58/52/670445852.db2.gz YQYQQPYUDVKHSG-UHFFFAOYSA-N -1 1 350.448 2.205 20 0 FEADMM CC(C)n1c(CNC(=O)C[C@H](C)NC(=O)c2ccccc2)n[n-]c1=S ZINC000066639757 670446306 /nfs/dbraw/zinc/44/63/06/670446306.db2.gz ZJLHSOJYWHQVGZ-LBPRGKRZSA-N -1 1 361.471 2.346 20 0 FEADMM CC(=O)NCc1ccc(C(=O)[N-]NC(=O)c2ccc(Cl)cc2)s1 ZINC000067019653 670451510 /nfs/dbraw/zinc/45/15/10/670451510.db2.gz VYFHOYPXUVOCIV-UHFFFAOYSA-N -1 1 351.815 2.112 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCc2n[n-]c(=S)n2C)c1C#N ZINC000067050284 670451998 /nfs/dbraw/zinc/45/19/98/670451998.db2.gz ANAOFZFYXZNZQS-UHFFFAOYSA-N -1 1 360.468 2.274 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H](C)NC(=O)C2CCCCC2)n[n-]c1=S ZINC000067071484 670452233 /nfs/dbraw/zinc/45/22/33/670452233.db2.gz SFCKUXHDNCGTKI-LLVKDONJSA-N -1 1 353.492 2.223 20 0 FEADMM CCn1c(CCNC(=O)CSc2nccn2C(C)(C)C)n[n-]c1=S ZINC000067077828 670452918 /nfs/dbraw/zinc/45/29/18/670452918.db2.gz DWDCHJKHGCUNKA-UHFFFAOYSA-N -1 1 368.532 2.363 20 0 FEADMM CCCC(=O)N1CCCC[C@H]1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079116 670452992 /nfs/dbraw/zinc/45/29/92/670452992.db2.gz NZNZATKUBDMFFE-ZDUSSCGKSA-N -1 1 365.503 2.115 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000569597365 670584133 /nfs/dbraw/zinc/58/41/33/670584133.db2.gz VLYLGXOWJPPGEN-ILWJIGKKSA-N -1 1 363.266 2.186 20 0 FEADMM O=C([N-]OCC1CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000817324552 675122048 /nfs/dbraw/zinc/12/20/48/675122048.db2.gz HGOBVMNCCCOXLF-LLVKDONJSA-N -1 1 353.216 2.260 20 0 FEADMM Cn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)CCCOc2cccnc2)C1 ZINC000080092054 670615932 /nfs/dbraw/zinc/61/59/32/670615932.db2.gz VUPVMDCRLDNJNP-ZDUSSCGKSA-N -1 1 361.471 2.438 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@@H](Cc2ccccc2)c2cccs2)s1 ZINC000080345870 670623188 /nfs/dbraw/zinc/62/31/88/670623188.db2.gz RKMLTJDRFATAJB-GXTWGEPZSA-N -1 1 359.476 2.495 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000084318054 670667039 /nfs/dbraw/zinc/66/70/39/670667039.db2.gz RUGBCHCRBHTUCX-UHFFFAOYSA-N -1 1 357.443 2.316 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cccc(Cn2cccn2)c1 ZINC000084301735 670667073 /nfs/dbraw/zinc/66/70/73/670667073.db2.gz LPMBPQWJDLCDNL-UHFFFAOYSA-N -1 1 357.443 2.316 20 0 FEADMM CN(C)[C@H](C[N-]S(=O)(=O)c1nc2ccccc2s1)c1ccco1 ZINC000565598592 675135527 /nfs/dbraw/zinc/13/55/27/675135527.db2.gz SASAIOKTAUNYFZ-GFCCVEGCSA-N -1 1 351.453 2.471 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CCC1 ZINC000817522857 675141478 /nfs/dbraw/zinc/14/14/78/675141478.db2.gz BSIPBCVDYLFYSJ-MRVPVSSYSA-N -1 1 363.340 2.455 20 0 FEADMM O=C([N-][C@@H]1CCC(=O)NC1=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817551728 675145963 /nfs/dbraw/zinc/14/59/63/675145963.db2.gz AZJMMGTXBSWTQL-SECBINFHSA-N -1 1 351.136 2.007 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1Br ZINC000115577994 670898702 /nfs/dbraw/zinc/89/87/02/670898702.db2.gz JVQUJZJUIKTUIT-UHFFFAOYSA-N -1 1 368.224 2.452 20 0 FEADMM CO[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[C@H](C(=O)[O-])C1 ZINC000572060723 670957061 /nfs/dbraw/zinc/95/70/61/670957061.db2.gz SERBLVFLYGRXBD-WFASDCNBSA-N -1 1 363.801 2.434 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)n1 ZINC000572471521 671005792 /nfs/dbraw/zinc/00/57/92/671005792.db2.gz FUPAGMZXHSAWPM-SCZZXKLOSA-N -1 1 372.809 2.133 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)[n-]1 ZINC000572471521 671005795 /nfs/dbraw/zinc/00/57/95/671005795.db2.gz FUPAGMZXHSAWPM-SCZZXKLOSA-N -1 1 372.809 2.133 20 0 FEADMM CC1CCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000572561535 671017099 /nfs/dbraw/zinc/01/70/99/671017099.db2.gz GSWYZZCGFRDCOS-UHFFFAOYSA-N -1 1 366.405 2.421 20 0 FEADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cn(C)c(C(C)C)n2)c1F ZINC000573447477 671124243 /nfs/dbraw/zinc/12/42/43/671124243.db2.gz DWIJSSVZJUSFIA-UHFFFAOYSA-N -1 1 371.390 2.190 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000573656681 671148420 /nfs/dbraw/zinc/14/84/20/671148420.db2.gz HBBVBMPRAIYLRL-NSHDSACASA-N -1 1 361.423 2.172 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)s[n-]1 ZINC000576742892 671390811 /nfs/dbraw/zinc/39/08/11/671390811.db2.gz ICTNGJDHMIBCRI-GXFFZTMASA-N -1 1 367.450 2.231 20 0 FEADMM CCC(C)(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000608758690 675902187 /nfs/dbraw/zinc/90/21/87/675902187.db2.gz VGGZNHMBBNJPTK-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(F)cc1Br ZINC000577244822 671426570 /nfs/dbraw/zinc/42/65/70/671426570.db2.gz BLRJWYREQLUCBV-UHFFFAOYSA-N -1 1 354.183 2.301 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000578259029 671652164 /nfs/dbraw/zinc/65/21/64/671652164.db2.gz MYTYBJFHBVZAHD-NSHDSACASA-N -1 1 355.334 2.248 20 0 FEADMM CN(Cc1ncccc1[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000578469859 671667430 /nfs/dbraw/zinc/66/74/30/671667430.db2.gz DQBIBYGVGTWWKM-AWEZNQCLSA-N -1 1 350.216 2.208 20 0 FEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)CCOC(F)(F)F ZINC000579538914 671743053 /nfs/dbraw/zinc/74/30/53/671743053.db2.gz YPXJFAKXBVJMDN-UHFFFAOYSA-N -1 1 371.333 2.450 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000579851151 671765758 /nfs/dbraw/zinc/76/57/58/671765758.db2.gz JHULHUAWBNZZLH-LBPRGKRZSA-N -1 1 358.360 2.205 20 0 FEADMM O=C([O-])c1cn(C2CCN(CCOc3ccccc3Cl)CC2)nn1 ZINC000580097606 671782912 /nfs/dbraw/zinc/78/29/12/671782912.db2.gz SSYMYUZBMTXMLU-UHFFFAOYSA-N -1 1 350.806 2.346 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)s[n-]1 ZINC000580260467 671793089 /nfs/dbraw/zinc/79/30/89/671793089.db2.gz WACHTYJVSGZSOF-ZWNOBZJWSA-N -1 1 367.450 2.231 20 0 FEADMM O=C(Cc1cc(Cl)c(Br)cc1F)NC1(c2nn[n-]n2)CC1 ZINC000580410956 671804782 /nfs/dbraw/zinc/80/47/82/671804782.db2.gz RROGVWIWEFFAFI-UHFFFAOYSA-N -1 1 374.601 2.103 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]Cc2nc(C)c(Br)s2)on1 ZINC000581173036 671869717 /nfs/dbraw/zinc/86/97/17/671869717.db2.gz BSWVMGWWYGHVGR-UHFFFAOYSA-N -1 1 366.262 2.130 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)CC[C@@H]3CCCCO3)n2)cc1 ZINC000581171096 671869864 /nfs/dbraw/zinc/86/98/64/671869864.db2.gz OKXZQEDXQOIZOK-AWEZNQCLSA-N -1 1 351.428 2.213 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CC[C@@H]3CCCCO3)n[n-]2)cc1 ZINC000581171096 671869871 /nfs/dbraw/zinc/86/98/71/671869871.db2.gz OKXZQEDXQOIZOK-AWEZNQCLSA-N -1 1 351.428 2.213 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)s1 ZINC000581232422 671875828 /nfs/dbraw/zinc/87/58/28/671875828.db2.gz YVYZSKYRRQKTBH-UHFFFAOYSA-N -1 1 366.512 2.313 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)s1 ZINC000581328257 671885390 /nfs/dbraw/zinc/88/53/90/671885390.db2.gz PTQXPHAYSUNOLQ-UHFFFAOYSA-N -1 1 373.374 2.163 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000120876688 671937066 /nfs/dbraw/zinc/93/70/66/671937066.db2.gz WTTGQZNSFKSZJD-HOTGVXAUSA-N -1 1 353.447 2.433 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc3nonc32)o1 ZINC000120936307 671938994 /nfs/dbraw/zinc/93/89/94/671938994.db2.gz NPCHYCGNGLWLPV-GFCCVEGCSA-N -1 1 351.384 2.044 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2nnc(C3CC3)s2)c1 ZINC000582351636 671992541 /nfs/dbraw/zinc/99/25/41/671992541.db2.gz GKABYTQVJZWQRE-UHFFFAOYSA-N -1 1 352.441 2.348 20 0 FEADMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000610518253 675977824 /nfs/dbraw/zinc/97/78/24/675977824.db2.gz SXLXOZQALINWHI-UHFFFAOYSA-N -1 1 365.398 2.374 20 0 FEADMM COc1ccc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1Cl ZINC000583946254 672141364 /nfs/dbraw/zinc/14/13/64/672141364.db2.gz VENBNQFXJGTPEP-UHFFFAOYSA-N -1 1 350.806 2.475 20 0 FEADMM O=C1NCCN(Cc2ncccc2[O-])[C@@H]1c1ccc(Br)cc1 ZINC000584139881 672159350 /nfs/dbraw/zinc/15/93/50/672159350.db2.gz IKQVSNJXUJMHCL-OAHLLOKOSA-N -1 1 362.227 2.223 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C)c1)c1ccccc1F ZINC000610702795 675990383 /nfs/dbraw/zinc/99/03/83/675990383.db2.gz JUCPRRONZJRPCO-MRXNPFEDSA-N -1 1 351.399 2.468 20 0 FEADMM CC(C)[C@@H](C(=O)Nc1nc(Br)ccc1[O-])N1CCCC1=O ZINC000156326877 672244898 /nfs/dbraw/zinc/24/48/98/672244898.db2.gz ZXNXEYSHIVLPCI-LBPRGKRZSA-N -1 1 356.220 2.135 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(-n2ccnc2)nc1 ZINC000156335392 672245194 /nfs/dbraw/zinc/24/51/94/672245194.db2.gz PZPMVUMKUFRFRY-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM Cc1ccccc1C(=O)NCC(=O)Nc1nc(Br)ccc1[O-] ZINC000156366816 672245431 /nfs/dbraw/zinc/24/54/31/672245431.db2.gz YMSBYDSOLAWOBU-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C2CCC2)c(Br)o1 ZINC000157536526 672259755 /nfs/dbraw/zinc/25/97/55/672259755.db2.gz IZLXZHFJIHVKCI-ZETCQYMHSA-N -1 1 366.233 2.296 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(Cl)ccc2Cl)co1 ZINC000166114778 672318406 /nfs/dbraw/zinc/31/84/06/672318406.db2.gz VGDJHOGHILRQMS-UHFFFAOYSA-N -1 1 365.194 2.247 20 0 FEADMM O=C([N-]NC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)c(Cl)c1F ZINC000181049424 672421294 /nfs/dbraw/zinc/42/12/94/672421294.db2.gz LMVPCJQSSWCNTL-GFCCVEGCSA-N -1 1 368.723 2.219 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C12CCCCC2 ZINC000611082952 676015676 /nfs/dbraw/zinc/01/56/76/676015676.db2.gz XLPPYJMLKGRHFI-UONOGXRCSA-N -1 1 371.455 2.472 20 0 FEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000588144662 672453607 /nfs/dbraw/zinc/45/36/07/672453607.db2.gz QWPHXSZQGJCAKQ-GFCCVEGCSA-N -1 1 351.346 2.469 20 0 FEADMM COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nc1Br ZINC000182903460 672455664 /nfs/dbraw/zinc/45/56/64/672455664.db2.gz YWVHSFQVWNHOMC-UHFFFAOYSA-N -1 1 366.097 2.242 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3c2cccc3Cl)c1 ZINC000679113570 672467029 /nfs/dbraw/zinc/46/70/29/672467029.db2.gz ABZHOHAOEPKNFJ-LBPRGKRZSA-N -1 1 366.826 2.362 20 0 FEADMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000679182643 672471725 /nfs/dbraw/zinc/47/17/25/672471725.db2.gz HCHVUPFSENSGEC-UHFFFAOYSA-N -1 1 365.407 2.379 20 0 FEADMM CCOC(=O)c1ccccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000588902056 672491457 /nfs/dbraw/zinc/49/14/57/672491457.db2.gz DLDALZGPGUJRNJ-GFCCVEGCSA-N -1 1 351.346 2.483 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(Cl)(Cl)Cl)o1 ZINC000184649363 672504016 /nfs/dbraw/zinc/50/40/16/672504016.db2.gz WKYBXJQKTQHDTF-YFKPBYRVSA-N -1 1 350.607 2.103 20 0 FEADMM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000589429583 672524603 /nfs/dbraw/zinc/52/46/03/672524603.db2.gz DNNUTTAHDZQGEF-UHFFFAOYSA-N -1 1 368.480 2.484 20 0 FEADMM COC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000186152633 672542021 /nfs/dbraw/zinc/54/20/21/672542021.db2.gz MPZSOCYEZCLKJE-JTQLQIEISA-N -1 1 362.398 2.110 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)c(F)c1 ZINC000680108495 672553079 /nfs/dbraw/zinc/55/30/79/672553079.db2.gz WZPFOBJUPQMGMX-CYBMUJFWSA-N -1 1 371.405 2.245 20 0 FEADMM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H](CO)c1c(F)cccc1F ZINC000680623326 672593025 /nfs/dbraw/zinc/59/30/25/672593025.db2.gz JXJUSBFWXJUOMT-ZDUSSCGKSA-N -1 1 368.361 2.259 20 0 FEADMM O=C(/C=C/c1ccc[nH]1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000188642207 672594967 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O=C(NCc1cc[nH]n1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000193411795 672723409 /nfs/dbraw/zinc/72/34/09/672723409.db2.gz QPVBQDHGXKTDJS-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1cc(C)cc(C)c1 ZINC000592047040 672741708 /nfs/dbraw/zinc/74/17/08/672741708.db2.gz IIAIDICTXUXRHZ-HOTGVXAUSA-N -1 1 357.472 2.108 20 0 FEADMM CN(C)CCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000193941518 672742457 /nfs/dbraw/zinc/74/24/57/672742457.db2.gz WXCOJOGBQFUKJS-UHFFFAOYSA-N -1 1 358.435 2.019 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000592073916 672747735 /nfs/dbraw/zinc/74/77/35/672747735.db2.gz BBJBXRAVGBPIHX-GFCCVEGCSA-N -1 1 354.428 2.225 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1C ZINC000194168055 672749986 /nfs/dbraw/zinc/74/99/86/672749986.db2.gz XFYJZQPBSJBAHX-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)N2CCC[C@H]3CCCC[C@H]32)n[n-]1 ZINC000195172186 672777635 /nfs/dbraw/zinc/77/76/35/672777635.db2.gz NQBOACOJSSIRGC-CHWSQXEVSA-N -1 1 368.503 2.057 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)NC1CCCC1 ZINC000682724810 672786706 /nfs/dbraw/zinc/78/67/06/672786706.db2.gz CCKLLNBOJMGIKU-UHFFFAOYSA-N -1 1 369.245 2.470 20 0 FEADMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000225773850 672794822 /nfs/dbraw/zinc/79/48/22/672794822.db2.gz PHRPXGAOTOSSRX-UHFFFAOYSA-N -1 1 371.684 2.325 20 0 FEADMM O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000683184275 672820737 /nfs/dbraw/zinc/82/07/37/672820737.db2.gz HYPSNVZOVFHPMU-LBPRGKRZSA-N -1 1 355.312 2.450 20 0 FEADMM CCc1cnc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)o1 ZINC000683689639 672867199 /nfs/dbraw/zinc/86/71/99/672867199.db2.gz YSKZOLILNYAMBH-UHFFFAOYSA-N -1 1 358.423 2.485 20 0 FEADMM CCc1cnc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)o1 ZINC000683689639 672867203 /nfs/dbraw/zinc/86/72/03/672867203.db2.gz YSKZOLILNYAMBH-UHFFFAOYSA-N -1 1 358.423 2.485 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(F)c1 ZINC000683700516 672867747 /nfs/dbraw/zinc/86/77/47/672867747.db2.gz MTAPOXXOJPUWGB-UHFFFAOYSA-N -1 1 354.378 2.379 20 0 FEADMM CC1(C)CC[C@@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)O1 ZINC000683872028 672880549 /nfs/dbraw/zinc/88/05/49/672880549.db2.gz NROIFRPYCUIKLD-NWDGAFQWSA-N -1 1 353.785 2.155 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccc(Cl)nc1 ZINC000255210295 672886583 /nfs/dbraw/zinc/88/65/83/672886583.db2.gz NHUULASPMJNWIK-XQRVVYSFSA-N -1 1 357.801 2.017 20 0 FEADMM CC[C@]([N-]S(=O)(=O)CC1(COC)CCC1)(C(=O)OC)c1ccccc1 ZINC000593545131 672939107 /nfs/dbraw/zinc/93/91/07/672939107.db2.gz XWQNOYSNEKFCOZ-GOSISDBHSA-N -1 1 369.483 2.201 20 0 FEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593633431 672965658 /nfs/dbraw/zinc/96/56/58/672965658.db2.gz HATJKKDNCQGOOX-SSDOTTSWSA-N -1 1 364.247 2.376 20 0 FEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1ccccc1C ZINC000593649733 672970419 /nfs/dbraw/zinc/97/04/19/672970419.db2.gz GWJSEXSZWJKITH-INIZCTEOSA-N -1 1 369.483 2.305 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(Br)n1C ZINC000314830282 673033499 /nfs/dbraw/zinc/03/34/99/673033499.db2.gz SCECOFJGQCGOLU-NSHDSACASA-N -1 1 370.272 2.109 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000321400752 673040392 /nfs/dbraw/zinc/04/03/92/673040392.db2.gz PXMXUOIBOUJQMJ-LBPRGKRZSA-N -1 1 358.485 2.004 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000321400747 673040411 /nfs/dbraw/zinc/04/04/11/673040411.db2.gz PXMXUOIBOUJQMJ-GFCCVEGCSA-N -1 1 358.485 2.004 20 0 FEADMM NC(=O)Cc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000685879586 673051411 /nfs/dbraw/zinc/05/14/11/673051411.db2.gz KHIADYADVRKIKG-UHFFFAOYSA-N -1 1 363.211 2.113 20 0 FEADMM O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000326839517 673055425 /nfs/dbraw/zinc/05/54/25/673055425.db2.gz LDVHIDSRHZHDAN-GFCCVEGCSA-N -1 1 360.363 2.046 20 0 FEADMM CC(C)[C@@H]1CN(C(=O)CSCC(=O)[O-])CCN1Cc1ccccc1 ZINC000704723967 673061979 /nfs/dbraw/zinc/06/19/79/673061979.db2.gz BGSATNVOWCOTPH-INIZCTEOSA-N -1 1 350.484 2.173 20 0 FEADMM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)nc1F)C1CC1 ZINC000859179287 683052155 /nfs/dbraw/zinc/05/21/55/683052155.db2.gz PJYHWEDNBUVMJG-RDDDGLTNSA-N -1 1 367.240 2.075 20 0 FEADMM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594449778 673074155 /nfs/dbraw/zinc/07/41/55/673074155.db2.gz NQUDBHIFUHGVIG-UHFFFAOYSA-N -1 1 367.826 2.361 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCS[C@@H]2C)c1F ZINC000594466635 673078177 /nfs/dbraw/zinc/07/81/77/673078177.db2.gz BWVASMPJGZMNIE-XCBNKYQSSA-N -1 1 367.851 2.438 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1nc(C(C)(C)C)no1 ZINC000329639646 673080822 /nfs/dbraw/zinc/08/08/22/673080822.db2.gz WQXGVCQOXHSRDJ-SNVBAGLBSA-N -1 1 367.427 2.178 20 0 FEADMM O=C([O-])c1cn(CCNCc2cc(Br)ccc2Cl)nn1 ZINC000722376583 673085055 /nfs/dbraw/zinc/08/50/55/673085055.db2.gz TZGVUVSSYVLALR-UHFFFAOYSA-N -1 1 359.611 2.182 20 0 FEADMM O=C(CCOc1ccc(Cl)c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000612816165 676099543 /nfs/dbraw/zinc/09/95/43/676099543.db2.gz KLKZVTPOWMUIMU-JTQLQIEISA-N -1 1 353.785 2.167 20 0 FEADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cnc2c(C)cccn12 ZINC000594730936 673125553 /nfs/dbraw/zinc/12/55/53/673125553.db2.gz YQMVSBWOUQCAIT-UHFFFAOYSA-N -1 1 363.395 2.440 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000726866234 673144410 /nfs/dbraw/zinc/14/44/10/673144410.db2.gz XZFOWASXEPYPPW-JTQLQIEISA-N -1 1 370.236 2.453 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCOc2cccc(C)c2)cc1C ZINC000595300771 673218710 /nfs/dbraw/zinc/21/87/10/673218710.db2.gz VDSWJDYDGQNFFK-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM CCO[C@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)c1ccccc1 ZINC000595325026 673224861 /nfs/dbraw/zinc/22/48/61/673224861.db2.gz FLJFEUDIPGYRJO-CQSZACIVSA-N -1 1 367.423 2.431 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C(C)=O)c2ccccc2F)cc1C ZINC000595335891 673227043 /nfs/dbraw/zinc/22/70/43/673227043.db2.gz DNURKWACLLUXBQ-CQSZACIVSA-N -1 1 369.370 2.122 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000595349882 673230017 /nfs/dbraw/zinc/23/00/17/673230017.db2.gz AVGABIWLLXCQBS-LLVKDONJSA-N -1 1 351.346 2.182 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(O)CCC(C)(C)CC2)o1 ZINC000595353082 673230812 /nfs/dbraw/zinc/23/08/12/673230812.db2.gz QJHHNCLMNLHBSD-UHFFFAOYSA-N -1 1 359.444 2.066 20 0 FEADMM C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@H](C)O1 ZINC000730358955 673277671 /nfs/dbraw/zinc/27/76/71/673277671.db2.gz FGYAHDSMOSPBEK-IUCAKERBSA-N -1 1 362.209 2.492 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OC(C)C)c2)o1 ZINC000730810204 673291773 /nfs/dbraw/zinc/29/17/73/673291773.db2.gz CWKIVTJETCKBJE-UHFFFAOYSA-N -1 1 353.396 2.332 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000496598088 673331060 /nfs/dbraw/zinc/33/10/60/673331060.db2.gz BVDWRJMOOPPTGA-NSHDSACASA-N -1 1 365.459 2.099 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@@H](CO)c3ccccc32)c1 ZINC000498322710 673332920 /nfs/dbraw/zinc/33/29/20/673332920.db2.gz KFGOYNPJQDRKJO-ZDUSSCGKSA-N -1 1 360.435 2.103 20 0 FEADMM CCCN(Cc1cn(CC(=O)[O-])nn1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000514791383 673347462 /nfs/dbraw/zinc/34/74/62/673347462.db2.gz QBDOOWXALGOARF-HZPDHXFCSA-N -1 1 350.463 2.313 20 0 FEADMM CCc1nnc([C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)CC)o1 ZINC000732332697 673364156 /nfs/dbraw/zinc/36/41/56/673364156.db2.gz XNUSPNLTZAZHTC-JTQLQIEISA-N -1 1 353.400 2.312 20 0 FEADMM CO[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000613555038 676133865 /nfs/dbraw/zinc/13/38/65/676133865.db2.gz LDIBGAFOBCNKQB-KBPBESRZSA-N -1 1 367.812 2.403 20 0 FEADMM C[C@H](SCc1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536739157 673379104 /nfs/dbraw/zinc/37/91/04/673379104.db2.gz SOBDBRVZLJMGIO-NSHDSACASA-N -1 1 366.464 2.300 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536739219 673379315 /nfs/dbraw/zinc/37/93/15/673379315.db2.gz XRNRNDPROTWVLU-VIFPVBQESA-N -1 1 370.814 2.099 20 0 FEADMM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)C1 ZINC000537414605 673388355 /nfs/dbraw/zinc/38/83/55/673388355.db2.gz PDGUFENSVIUIER-OLZOCXBDSA-N -1 1 367.471 2.081 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2c(c1)OCO2 ZINC000538050762 673420053 /nfs/dbraw/zinc/42/00/53/673420053.db2.gz MGIFUNQNIPDQFU-UHFFFAOYSA-N -1 1 352.343 2.178 20 0 FEADMM Cc1cc(Cl)ccc1OCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538952110 673468203 /nfs/dbraw/zinc/46/82/03/673468203.db2.gz RBMUHIGGTFXAGY-UHFFFAOYSA-N -1 1 370.814 2.019 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000538951757 673468210 /nfs/dbraw/zinc/46/82/10/673468210.db2.gz JOCSVTDZZUQQGH-UHFFFAOYSA-N -1 1 370.427 2.300 20 0 FEADMM O=C(c1cnn(-c2ccccc2Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539326095 673484187 /nfs/dbraw/zinc/48/41/87/673484187.db2.gz PZOSLTACNSQVNC-LLVKDONJSA-N -1 1 357.805 2.059 20 0 FEADMM COc1ccc(N(C)S(=O)(=O)c2cc(OC)ccc2[O-])c(OC)c1 ZINC000539400440 673488774 /nfs/dbraw/zinc/48/87/74/673488774.db2.gz OURBXEUOAPXJRK-UHFFFAOYSA-N -1 1 353.396 2.243 20 0 FEADMM CSCCCCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539988074 673518014 /nfs/dbraw/zinc/51/80/14/673518014.db2.gz UZQFYFISNXFRGO-UHFFFAOYSA-N -1 1 358.485 2.305 20 0 FEADMM CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000737066568 673549013 /nfs/dbraw/zinc/54/90/13/673549013.db2.gz BJOZEIDETDRLLJ-RDJZCZTQSA-N -1 1 368.499 2.338 20 0 FEADMM CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000737066567 673549168 /nfs/dbraw/zinc/54/91/68/673549168.db2.gz BJOZEIDETDRLLJ-NVXWUHKLSA-N -1 1 368.499 2.338 20 0 FEADMM CC(C)(NC(=O)CCc1cc(F)ccc1Br)c1nn[n-]n1 ZINC000541434828 673552885 /nfs/dbraw/zinc/55/28/85/673552885.db2.gz VVPHPLOLZWQSLM-UHFFFAOYSA-N -1 1 356.199 2.085 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000598395541 673566505 /nfs/dbraw/zinc/56/65/05/673566505.db2.gz PQTSXROSBIFZMZ-MNOVXSKESA-N -1 1 373.190 2.105 20 0 FEADMM CCOc1cc(-c2noc(Cn3cncn3)n2)cc(Br)c1[O-] ZINC000598566049 673584757 /nfs/dbraw/zinc/58/47/57/673584757.db2.gz QOALADGSBGUNDS-UHFFFAOYSA-N -1 1 366.175 2.243 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1Cl ZINC000543168274 673629235 /nfs/dbraw/zinc/62/92/35/673629235.db2.gz DRVIHFNXRGNCLP-GFCCVEGCSA-N -1 1 367.254 2.138 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC000740701159 673650759 /nfs/dbraw/zinc/65/07/59/673650759.db2.gz WDNRUNQWFOGHTA-UHFFFAOYSA-N -1 1 365.745 2.159 20 0 FEADMM O=C(NCc1nn[n-]n1)c1csc(-c2cc(Br)cs2)n1 ZINC000599334869 673660416 /nfs/dbraw/zinc/66/04/16/673660416.db2.gz WIYKJMYVRPPWRU-UHFFFAOYSA-N -1 1 371.245 2.077 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1 ZINC000599468315 673679624 /nfs/dbraw/zinc/67/96/24/673679624.db2.gz MIOKJZOAOXOLET-NILFDRSVSA-N -1 1 367.810 2.336 20 0 FEADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544725067 673729027 /nfs/dbraw/zinc/72/90/27/673729027.db2.gz DOIZPUDLNHQDEE-QMMMGPOBSA-N -1 1 366.258 2.424 20 0 FEADMM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)c1ccco1 ZINC000544748723 673730264 /nfs/dbraw/zinc/73/02/64/673730264.db2.gz NAFPOJRLFZJWIK-SECBINFHSA-N -1 1 363.233 2.216 20 0 FEADMM O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(Br)cc1[O-] ZINC000744321868 673793156 /nfs/dbraw/zinc/79/31/56/673793156.db2.gz MTVZQZQNQJMVFH-UHFFFAOYSA-N -1 1 374.198 2.060 20 0 FEADMM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744567544 673801382 /nfs/dbraw/zinc/80/13/82/673801382.db2.gz OAQNFPOJUPBGGA-QWHCGFSZSA-N -1 1 370.471 2.298 20 0 FEADMM CCCOC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000744830350 673812769 /nfs/dbraw/zinc/81/27/69/673812769.db2.gz XYOJTUOMIKWUGJ-LBPRGKRZSA-N -1 1 357.428 2.337 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000546969866 673829586 /nfs/dbraw/zinc/82/95/86/673829586.db2.gz PLLQZZCAINCTFE-LKFCYVNXSA-N -1 1 372.874 2.108 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(F)c1 ZINC000745998299 673860454 /nfs/dbraw/zinc/86/04/54/673860454.db2.gz OMZOEGRLLSECKW-UHFFFAOYSA-N -1 1 364.185 2.427 20 0 FEADMM CN1C(=O)C[C@H](NC(=O)c2ncccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000547653894 673878442 /nfs/dbraw/zinc/87/84/42/673878442.db2.gz UMUHFYMLFVZDKB-BLLLJJGKSA-N -1 1 363.776 2.282 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c1 ZINC000547870075 673895163 /nfs/dbraw/zinc/89/51/63/673895163.db2.gz XAQSNLUBSHDQCJ-UHFFFAOYSA-N -1 1 359.743 2.219 20 0 FEADMM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cncc([O-])c2)ccc1C ZINC000548079493 673921010 /nfs/dbraw/zinc/92/10/10/673921010.db2.gz FQVWTLQCQUIFKR-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000548540075 673967937 /nfs/dbraw/zinc/96/79/37/673967937.db2.gz VMZAAGBQQWXRAU-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM CN(C)[C@@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cc1 ZINC000566468963 675217041 /nfs/dbraw/zinc/21/70/41/675217041.db2.gz BXFSAMHELBWQQB-TZMCWYRMSA-N -1 1 364.833 2.438 20 0 FEADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000566619425 675229813 /nfs/dbraw/zinc/22/98/13/675229813.db2.gz HZQDPPFHUXVIAC-QWHCGFSZSA-N -1 1 362.455 2.117 20 0 FEADMM CN(C)C(=O)OC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000818702269 675233690 /nfs/dbraw/zinc/23/36/90/675233690.db2.gz RAEBWLWYDIDQAT-UHFFFAOYSA-N -1 1 371.231 2.458 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000566688748 675235181 /nfs/dbraw/zinc/23/51/81/675235181.db2.gz AQEITQCHHUJPJZ-HYSWKAIVSA-N -1 1 352.381 2.367 20 0 FEADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000567242906 675278291 /nfs/dbraw/zinc/27/82/91/675278291.db2.gz ZUNBOWWGXOKHOL-VIFPVBQESA-N -1 1 370.377 2.070 20 0 FEADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cn(C)cc(Br)c1=O ZINC000567393955 675290001 /nfs/dbraw/zinc/29/00/01/675290001.db2.gz YEOQRRGATZYOFL-VIFPVBQESA-N -1 1 351.266 2.468 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000615537593 676218202 /nfs/dbraw/zinc/21/82/02/676218202.db2.gz NTXIEPMWAGVXLI-CYBMUJFWSA-N -1 1 358.360 2.348 20 0 FEADMM CCc1nc(SCC(=O)Nc2nnc([C@H]3CCCO3)o2)[n-]c(=O)c1C ZINC000567628005 675307899 /nfs/dbraw/zinc/30/78/99/675307899.db2.gz GXUBYFVWMWSGIG-SNVBAGLBSA-N -1 1 365.415 2.018 20 0 FEADMM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000819876197 675318015 /nfs/dbraw/zinc/31/80/15/675318015.db2.gz RZYNCXMRZXOTLT-AWEZNQCLSA-N -1 1 357.378 2.294 20 0 FEADMM CC(C)(C)OC(=O)CN(C(=O)c1cc(F)ccc1[O-])C1CCOCC1 ZINC000568395249 675371024 /nfs/dbraw/zinc/37/10/24/675371024.db2.gz BXUSQMXNLKAIDM-UHFFFAOYSA-N -1 1 353.390 2.494 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1C ZINC000568396607 675371102 /nfs/dbraw/zinc/37/11/02/675371102.db2.gz PUKNFXIOCKWCIG-CHWSQXEVSA-N -1 1 350.415 2.176 20 0 FEADMM O=c1ccc2ccc(OS(=O)(=O)c3c[n-]nc3C(F)(F)F)cc2o1 ZINC000820758104 675385810 /nfs/dbraw/zinc/38/58/10/675385810.db2.gz SZXSJFBBLKWIRO-UHFFFAOYSA-N -1 1 360.269 2.303 20 0 FEADMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000820793876 675389166 /nfs/dbraw/zinc/38/91/66/675389166.db2.gz JTUYOQQVUZHLAI-ONGXEEELSA-N -1 1 363.361 2.219 20 0 FEADMM COc1cc(F)c([N-]S(=O)(=O)CCOCC(F)(F)F)cc1OC ZINC000568938925 675411526 /nfs/dbraw/zinc/41/15/26/675411526.db2.gz MDAPSHHCEOQZQZ-UHFFFAOYSA-N -1 1 361.313 2.164 20 0 FEADMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656913244 677864887 /nfs/dbraw/zinc/86/48/87/677864887.db2.gz DRTPGYPTXJMMIO-ZDUSSCGKSA-N -1 1 365.293 2.310 20 0 FEADMM CCOC(=O)CCCCCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000825486952 675655621 /nfs/dbraw/zinc/65/56/21/675655621.db2.gz GLHDCAXZRRWLKE-UHFFFAOYSA-N -1 1 350.444 2.261 20 0 FEADMM CCOC(=O)c1c(F)cccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825561007 675658801 /nfs/dbraw/zinc/65/88/01/675658801.db2.gz ZPCBTZKSYJWZBP-UHFFFAOYSA-N -1 1 361.358 2.496 20 0 FEADMM CCOC(=O)c1c(F)cccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825561007 675658802 /nfs/dbraw/zinc/65/88/02/675658802.db2.gz ZPCBTZKSYJWZBP-UHFFFAOYSA-N -1 1 361.358 2.496 20 0 FEADMM Cc1cn(C)nc1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000826036865 675679249 /nfs/dbraw/zinc/67/92/49/675679249.db2.gz RAJGYJIGZLDPBV-LSJOCFKGSA-N -1 1 361.368 2.038 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nn[nH]n2)cc1C ZINC000826178083 675683885 /nfs/dbraw/zinc/68/38/85/675683885.db2.gz JFCODCSFGGPOOQ-UHFFFAOYSA-N -1 1 359.411 2.293 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826345754 675686888 /nfs/dbraw/zinc/68/68/88/675686888.db2.gz SZVOQYFHXJDQSR-ZCFIWIBFSA-N -1 1 352.807 2.298 20 0 FEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826345754 675686890 /nfs/dbraw/zinc/68/68/90/675686890.db2.gz SZVOQYFHXJDQSR-ZCFIWIBFSA-N -1 1 352.807 2.298 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1cn(C)c2ncccc12 ZINC000826857252 675711254 /nfs/dbraw/zinc/71/12/54/675711254.db2.gz HAFNBDSDCWANAH-UHFFFAOYSA-N -1 1 357.439 2.072 20 0 FEADMM CCOC(=O)CCC1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000827203027 675739470 /nfs/dbraw/zinc/73/94/70/675739470.db2.gz NKLMCZUNXYYPDX-UHFFFAOYSA-N -1 1 362.455 2.214 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(-c3cscn3)c2)CC1 ZINC000827380688 675751947 /nfs/dbraw/zinc/75/19/47/675751947.db2.gz UYHDEQFLSKGELG-ZDUSSCGKSA-N -1 1 359.451 2.431 20 0 FEADMM O=C(COc1ccccc1C(F)(F)F)NC1(c2nn[n-]n2)CCCC1 ZINC000605381649 675812210 /nfs/dbraw/zinc/81/22/10/675812210.db2.gz IWXOZFRCDWIOID-UHFFFAOYSA-N -1 1 355.320 2.183 20 0 FEADMM CC(C)[C@@H]1C[C@H](C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000828678484 675836806 /nfs/dbraw/zinc/83/68/06/675836806.db2.gz BCHHTSCXVWTPFW-TYNCELHUSA-N -1 1 350.381 2.107 20 0 FEADMM C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000828689333 675837389 /nfs/dbraw/zinc/83/73/89/675837389.db2.gz MWWWKGGQMBSVBE-SNVBAGLBSA-N -1 1 363.414 2.191 20 0 FEADMM CC(C)NC(=O)NCCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000829116532 675865191 /nfs/dbraw/zinc/86/51/91/675865191.db2.gz RXVLYAWRLUQPAG-UHFFFAOYSA-N -1 1 366.805 2.096 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cnc(C3CCCC3)nc2N)c1Br ZINC000616004595 676236224 /nfs/dbraw/zinc/23/62/24/676236224.db2.gz ZETKKNZMMLVACM-UHFFFAOYSA-N -1 1 365.235 2.185 20 0 FEADMM C/C=C/C[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)OCC ZINC000619003647 676359965 /nfs/dbraw/zinc/35/99/65/676359965.db2.gz KNXLHBIXITYOEZ-DIECRNLCSA-N -1 1 363.382 2.150 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C[C@H]2CCCCO2)n[n-]1 ZINC000619254513 676369206 /nfs/dbraw/zinc/36/92/06/676369206.db2.gz OSRJOEXVHHESRB-OLZOCXBDSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C[C@H]2CCCCO2)[n-]1 ZINC000619254513 676369209 /nfs/dbraw/zinc/36/92/09/676369209.db2.gz OSRJOEXVHHESRB-OLZOCXBDSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C[C@H]2CCCCO2)n1 ZINC000619254513 676369211 /nfs/dbraw/zinc/36/92/11/676369211.db2.gz OSRJOEXVHHESRB-OLZOCXBDSA-N -1 1 352.435 2.144 20 0 FEADMM COc1cc(C(=O)NCC(C)(C)[C@@]2(O)CCCOC2)cc(Cl)c1[O-] ZINC000620115635 676407286 /nfs/dbraw/zinc/40/72/86/676407286.db2.gz NGTIGMCOEPGQBP-QGZVFWFLSA-N -1 1 357.834 2.352 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000620252437 676411765 /nfs/dbraw/zinc/41/17/65/676411765.db2.gz BLHTWWSTQKMTCW-LLVKDONJSA-N -1 1 367.243 2.239 20 0 FEADMM CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000620561595 676421512 /nfs/dbraw/zinc/42/15/12/676421512.db2.gz RTRZPCKKDZLPOK-AEFFLSMTSA-N -1 1 360.435 2.395 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)o1 ZINC000621222220 676446580 /nfs/dbraw/zinc/44/65/80/676446580.db2.gz LJPHOHRIDUMJEZ-SFHVURJKSA-N -1 1 362.451 2.285 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc(-c2cccs2)n[nH]1 ZINC000622610034 676502894 /nfs/dbraw/zinc/50/28/94/676502894.db2.gz OAGZRXHLYCKOBH-AWEZNQCLSA-N -1 1 351.395 2.171 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cc(C)oc3C(F)(F)F)nc2n1 ZINC000622994512 676514510 /nfs/dbraw/zinc/51/45/10/676514510.db2.gz SAJXIXMWHDPNSO-UHFFFAOYSA-N -1 1 355.276 2.153 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)CCSc3ccccc3)nc2n1 ZINC000622995615 676514754 /nfs/dbraw/zinc/51/47/54/676514754.db2.gz ISSHOXNZSHWKDH-UHFFFAOYSA-N -1 1 357.439 2.491 20 0 FEADMM Cc1cnc2c(c1)N(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)CC2 ZINC000623245543 676526093 /nfs/dbraw/zinc/52/60/93/676526093.db2.gz KXKJEPOWJAZOOH-UHFFFAOYSA-N -1 1 363.439 2.263 20 0 FEADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ccn(-c3ncccc3F)n2)C1 ZINC000677550389 679685494 /nfs/dbraw/zinc/68/54/94/679685494.db2.gz VVWRZTZNQVCKDR-RYUDHWBXSA-N -1 1 353.423 2.041 20 0 FEADMM CO[C@@H](C)c1nc(=NCC2(OCCO)CCC(F)(F)CC2)s[n-]1 ZINC000624526103 676583307 /nfs/dbraw/zinc/58/33/07/676583307.db2.gz AOAPVKJNXAGEME-JTQLQIEISA-N -1 1 351.419 2.036 20 0 FEADMM COc1cc2[n-]cc(C(=O)N3CC[C@H]3C(F)(F)F)c(=O)c2c(OC)c1 ZINC000627387392 676752814 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Cc1ncc(S(=O)(=O)[N-]c2cc(CCc3ccccc3C)[nH]n2)n1C ZINC000629350572 676850298 /nfs/dbraw/zinc/85/02/98/676850298.db2.gz SVBLWXBIHRSHLN-UHFFFAOYSA-N -1 1 359.455 2.346 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000630221282 676887779 /nfs/dbraw/zinc/88/77/79/676887779.db2.gz XAEWKVRVMFTKNP-VIFPVBQESA-N -1 1 350.362 2.388 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000630226167 676888530 /nfs/dbraw/zinc/88/85/30/676888530.db2.gz CNEPRTBHMPJXII-UHFFFAOYSA-N -1 1 350.362 2.388 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000630227643 676888800 /nfs/dbraw/zinc/88/88/00/676888800.db2.gz OHDORXNWCPQSDE-UHFFFAOYSA-N -1 1 360.332 2.206 20 0 FEADMM C[C@H](O)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000678379211 679727304 /nfs/dbraw/zinc/72/73/04/679727304.db2.gz JMAXRSCOMFPZLP-VIFPVBQESA-N -1 1 370.814 2.166 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000630789583 676922076 /nfs/dbraw/zinc/92/20/76/676922076.db2.gz 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ZINC000672281613 679368126 /nfs/dbraw/zinc/36/81/26/679368126.db2.gz ZKPZVIRXIXPRRI-UHFFFAOYSA-N -1 1 365.373 2.498 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000672362573 679372195 /nfs/dbraw/zinc/37/21/95/679372195.db2.gz XCEYCVDWAHWWIH-DTWKUNHWSA-N -1 1 366.418 2.338 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c(F)c1 ZINC000673576718 679438234 /nfs/dbraw/zinc/43/82/34/679438234.db2.gz NAWVBCCNPXQNCD-UHFFFAOYSA-N -1 1 358.366 2.319 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ncc(Cl)s1 ZINC000673939907 679456612 /nfs/dbraw/zinc/45/66/12/679456612.db2.gz PYJLJRRVHXDEOW-UHFFFAOYSA-N -1 1 362.802 2.239 20 0 FEADMM Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1O ZINC000674755122 679504015 /nfs/dbraw/zinc/50/40/15/679504015.db2.gz RJAAOCJFEFSTDY-UHFFFAOYSA-N -1 1 355.343 2.104 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)c1 ZINC000675283115 679539142 /nfs/dbraw/zinc/53/91/42/679539142.db2.gz WLFWEKNICHDPLR-UHFFFAOYSA-N -1 1 373.427 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371.455 2.330 20 0 FEADMM CCc1ccc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)s1 ZINC000987681243 680577426 /nfs/dbraw/zinc/57/74/26/680577426.db2.gz OBZNLNQXZSFKEI-YPMHNXCESA-N -1 1 359.451 2.444 20 0 FEADMM O=C([N-][C@]12CCC[C@H]1CN(C(=O)c1coc(C(F)(F)F)n1)C2)C(F)F ZINC001006814433 680613726 /nfs/dbraw/zinc/61/37/26/680613726.db2.gz MWZSNZZDQYENPB-CPFSXVBKSA-N -1 1 367.274 2.069 20 0 FEADMM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000759068520 680624753 /nfs/dbraw/zinc/62/47/53/680624753.db2.gz JAIHWEUDHSNLDP-NSHDSACASA-N -1 1 360.229 2.362 20 0 FEADMM CC(C)(CNC(=O)c1ccc(Cl)cc1[O-])[C@H]1COCC12OCCO2 ZINC000837994707 680667099 /nfs/dbraw/zinc/66/70/99/680667099.db2.gz FIWQLNGDJIRJQW-CQSZACIVSA-N -1 1 355.818 2.191 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[nH]nc1C1CC1 ZINC000760319327 680682616 /nfs/dbraw/zinc/68/26/16/680682616.db2.gz IULLWZDVDVJYKU-UHFFFAOYSA-N -1 1 369.468 2.108 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)[nH]nc1C1CC1 ZINC000760321135 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Cn1nc(Br)cc1CN[C@]1(C(=O)[O-])CCc2c1cccc2F ZINC000841801667 680913312 /nfs/dbraw/zinc/91/33/12/680913312.db2.gz VFKNPKYEWWKSLJ-OAHLLOKOSA-N -1 1 368.206 2.338 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000768259874 680942150 /nfs/dbraw/zinc/94/21/50/680942150.db2.gz WPYNELPVBWMDKN-UHFFFAOYSA-N -1 1 354.359 2.161 20 0 FEADMM C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017354 680982381 /nfs/dbraw/zinc/98/23/81/680982381.db2.gz BNUOSJMWLLXHRI-CQSZACIVSA-N -1 1 370.490 2.325 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C2)c(=O)[nH]c1=O ZINC000769673705 680991011 /nfs/dbraw/zinc/99/10/11/680991011.db2.gz SFJPLPIEDVTCCU-ZDUSSCGKSA-N -1 1 371.503 2.386 20 0 FEADMM CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000770226936 681009792 /nfs/dbraw/zinc/00/97/92/681009792.db2.gz ILHZCSZTKZUXLK-UHFFFAOYSA-N -1 1 368.224 2.453 20 0 FEADMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]CC(C)C)c1 ZINC000770226957 681009773 /nfs/dbraw/zinc/00/97/73/681009773.db2.gz 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CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc([C@H]2CCC(=O)N2)c1 ZINC000844661979 681072572 /nfs/dbraw/zinc/07/25/72/681072572.db2.gz CMZCGNKHOFAZIS-HUUCEWRRSA-N -1 1 368.455 2.111 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000844811300 681084511 /nfs/dbraw/zinc/08/45/11/681084511.db2.gz JTEWQBKBMUAVBX-CVEARBPZSA-N -1 1 354.813 2.415 20 0 FEADMM CC(C)c1cccc(O[C@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000773157478 681127896 /nfs/dbraw/zinc/12/78/96/681127896.db2.gz KDCXCJCESZZVBF-IUODEOHRSA-N -1 1 361.471 2.407 20 0 FEADMM O=C(Cc1c(Cl)cccc1Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773158694 681128291 /nfs/dbraw/zinc/12/82/91/681128291.db2.gz JEHVBIQZRAOSPV-LLVKDONJSA-N -1 1 358.254 2.366 20 0 FEADMM C[C@@H](CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc(F)cc1F ZINC000773164470 681128704 /nfs/dbraw/zinc/12/87/04/681128704.db2.gz XYJJXHTWHPXBOW-ZANVPECISA-N -1 1 353.398 2.288 20 0 FEADMM O=C(OCc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc([O-])cc1F ZINC000773578282 681149059 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O=C([N-]CCCSCCn1cnc2ccccc2c1=O)C(F)(F)F ZINC000774682931 681220233 /nfs/dbraw/zinc/22/02/33/681220233.db2.gz DHQKDFIGYWIUSJ-UHFFFAOYSA-N -1 1 359.373 2.198 20 0 FEADMM Cc1nn(C(F)F)c(C)c1CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774935495 681252929 /nfs/dbraw/zinc/25/29/29/681252929.db2.gz CWOMVBAEHQBIEY-UHFFFAOYSA-N -1 1 357.279 2.049 20 0 FEADMM Cc1oc(-c2ccco2)nc1CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774940069 681253983 /nfs/dbraw/zinc/25/39/83/681253983.db2.gz SPSJVPNKKBBNJC-UHFFFAOYSA-N -1 1 360.288 2.397 20 0 FEADMM Nc1cc(Br)ccc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774968757 681258556 /nfs/dbraw/zinc/25/85/56/681258556.db2.gz ZRVMJPMVJBMWBD-UHFFFAOYSA-N -1 1 369.137 2.257 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)[n-]1 ZINC000846651485 681272392 /nfs/dbraw/zinc/27/23/92/681272392.db2.gz UMIMTCOWEPUUJY-UHFFFAOYSA-N -1 1 351.309 2.466 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCC(=O)c2ccc(F)c(F)c2)n1 ZINC000846651485 681272396 /nfs/dbraw/zinc/27/23/96/681272396.db2.gz 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/nfs/dbraw/zinc/90/56/56/691905656.db2.gz ISUFRJMQLIIGBY-HUUCEWRRSA-N -1 1 366.483 2.052 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1F ZINC001465114202 804139894 /nfs/dbraw/zinc/13/98/94/804139894.db2.gz DTRROPNVWWJJRG-SKDRFNHKSA-N -1 1 369.336 2.229 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000909127308 939383141 /nfs/dbraw/zinc/38/31/41/939383141.db2.gz WAAMRDYLTOGKCN-UONOGXRCSA-N -1 1 373.375 2.471 20 0 FEADMM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1c(C)noc1C)O[C@@H](C)C2 ZINC000008058709 539476456 /nfs/dbraw/zinc/47/64/56/539476456.db2.gz ZYEPTLPIYHSCFQ-JTQLQIEISA-N -1 1 366.439 2.492 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)NCC)c2)n1 ZINC000008205096 539480085 /nfs/dbraw/zinc/48/00/85/539480085.db2.gz NGNUYLSBQCEHAZ-UHFFFAOYSA-N -1 1 374.466 2.203 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014256768 539600607 /nfs/dbraw/zinc/60/06/07/539600607.db2.gz PLSSFJJFDSRZDL-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2cn3ccccc3n2)c(=O)[n-]1 ZINC000025529843 539762268 /nfs/dbraw/zinc/76/22/68/539762268.db2.gz JSGUBPOLQJDFGS-UHFFFAOYSA-N -1 1 371.466 2.152 20 0 FEADMM COc1ccc(CCS(=O)(=O)[N-]c2cc(C3CCOCC3)[nH]n2)cc1 ZINC000800785840 674076254 /nfs/dbraw/zinc/07/62/54/674076254.db2.gz RLSHOSVJQLOKEY-UHFFFAOYSA-N -1 1 365.455 2.297 20 0 FEADMM COc1ccc(NC(=O)c2ccc(C)cc2O)cc1[N-]S(C)(=O)=O ZINC000029817171 539865265 /nfs/dbraw/zinc/86/52/65/539865265.db2.gz CKNHNHDZMFKHFM-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)o1 ZINC000031588922 539912168 /nfs/dbraw/zinc/91/21/68/539912168.db2.gz SWQBXPHZDZHROG-UHFFFAOYSA-N -1 1 362.329 2.137 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc3c[nH]nc32)o1 ZINC000032939452 539960464 /nfs/dbraw/zinc/96/04/64/539960464.db2.gz YFUBVHVTTUJPNC-UHFFFAOYSA-N -1 1 362.411 2.485 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)o1 ZINC000033016292 539963996 /nfs/dbraw/zinc/96/39/96/539963996.db2.gz DRMRRNGWJBOPGC-MRXNPFEDSA-N -1 1 364.423 2.077 20 0 FEADMM COc1cccc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000047330359 540304489 /nfs/dbraw/zinc/30/44/89/540304489.db2.gz SECDQBSYLQOMEP-UHFFFAOYSA-N -1 1 364.405 2.008 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NCc2cccc(COC)c2)n1 ZINC000053359169 540528984 /nfs/dbraw/zinc/52/89/84/540528984.db2.gz SUIXJGJDHYJZRV-UHFFFAOYSA-N -1 1 361.467 2.277 20 0 FEADMM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000054798872 540610758 /nfs/dbraw/zinc/61/07/58/540610758.db2.gz RZXRBRCUMCWAKG-UHFFFAOYSA-N -1 1 364.389 2.175 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000055159282 540632151 /nfs/dbraw/zinc/63/21/51/540632151.db2.gz CICYNKNOLADBKY-SECBINFHSA-N -1 1 355.350 2.322 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc2c(c1)OCCO2 ZINC000055296956 540644888 /nfs/dbraw/zinc/64/48/88/540644888.db2.gz GVPSKQSNKJCVOR-ZDUSSCGKSA-N -1 1 352.412 2.492 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)ccc1OC ZINC000055631812 540665670 /nfs/dbraw/zinc/66/56/70/540665670.db2.gz QZCSNUVAHIKYCM-UHFFFAOYSA-N -1 1 364.423 2.254 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1 ZINC000055621933 540664421 /nfs/dbraw/zinc/66/44/21/540664421.db2.gz XZSIRKSUOJBZMH-UHFFFAOYSA-N -1 1 368.842 2.171 20 0 FEADMM Cc1nc(SCc2nc(N)nc(Nc3ccccc3)n2)[n-]c(=O)c1C ZINC000537414538 540727959 /nfs/dbraw/zinc/72/79/59/540727959.db2.gz NWPOWJFKWGLNBM-UHFFFAOYSA-N -1 1 355.427 2.024 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cc(-c2cnn(C)c2)ccc1F ZINC000541270110 541179288 /nfs/dbraw/zinc/17/92/88/541179288.db2.gz OVCGRAGCZQYXPI-UHFFFAOYSA-N -1 1 371.372 2.389 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000541274979 541179912 /nfs/dbraw/zinc/17/99/12/541179912.db2.gz URCCANRUTMHZRZ-UHFFFAOYSA-N -1 1 356.382 2.198 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC000542202522 541356636 /nfs/dbraw/zinc/35/66/36/541356636.db2.gz LIPUIWACFBSDCX-UHFFFAOYSA-N -1 1 367.365 2.431 20 0 FEADMM Cn1c(CCNC(=O)[C@H]2COc3ccc(Cl)cc3C2)n[n-]c1=S ZINC000067051771 541411109 /nfs/dbraw/zinc/41/11/09/541411109.db2.gz CECWEBYORGGFJV-SNVBAGLBSA-N -1 1 352.847 2.041 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)[C@H](c1ccccc1)n1cccn1 ZINC000067079709 541414708 /nfs/dbraw/zinc/41/47/08/541414708.db2.gz WPXPUACVPMUFGA-INIZCTEOSA-N -1 1 368.466 2.420 20 0 FEADMM Cc1nn2c(nc(C)cc2C)c1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067093555 541416831 /nfs/dbraw/zinc/41/68/31/541416831.db2.gz DOSMLKZRJIZILV-UHFFFAOYSA-N -1 1 371.470 2.216 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1Cl ZINC000068075579 541544318 /nfs/dbraw/zinc/54/43/18/541544318.db2.gz VEEIIYUJHQNXPV-UHFFFAOYSA-N -1 1 352.799 2.270 20 0 FEADMM O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccccc1[O-] ZINC000068147542 541556202 /nfs/dbraw/zinc/55/62/02/541556202.db2.gz JGZQSWPFSJVORA-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 ZINC000068453018 541594097 /nfs/dbraw/zinc/59/40/97/541594097.db2.gz MPTKHMAZZGUFIF-UHFFFAOYSA-N -1 1 371.470 2.332 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000068452026 541593587 /nfs/dbraw/zinc/59/35/87/541593587.db2.gz CYJMBPKPVWLXCV-UHFFFAOYSA-N -1 1 369.491 2.191 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F ZINC000068716701 541622300 /nfs/dbraw/zinc/62/23/00/541622300.db2.gz DLPSJEHZPKZJSC-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)C2CCCCC2)o1 ZINC000069493882 541690954 /nfs/dbraw/zinc/69/09/54/541690954.db2.gz PMHDIFXRGUQGQX-CYBMUJFWSA-N -1 1 372.487 2.027 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N=c2ncn(C(C)(C)C)[n-]2)N(C)C)c1 ZINC000544314088 541750707 /nfs/dbraw/zinc/75/07/07/541750707.db2.gz BBDMRMZKKLKGOV-OAHLLOKOSA-N -1 1 360.462 2.466 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1 ZINC000071092113 541763801 /nfs/dbraw/zinc/76/38/01/541763801.db2.gz OIVQTXZVUWQACQ-UHFFFAOYSA-N -1 1 374.422 2.093 20 0 FEADMM O=C(OCCn1ccccc1=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801372486 674124729 /nfs/dbraw/zinc/12/47/29/674124729.db2.gz BPBXWHKYBHELON-UHFFFAOYSA-N -1 1 359.769 2.250 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000055546093 205220741 /nfs/dbraw/zinc/22/07/41/205220741.db2.gz BDCXGNVKZRHDGS-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000058496428 205276107 /nfs/dbraw/zinc/27/61/07/205276107.db2.gz ADTVPAOSMRKJEX-UHFFFAOYSA-N -1 1 361.391 2.310 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000074011674 542026244 /nfs/dbraw/zinc/02/62/44/542026244.db2.gz DHNNZUAAPIJVGM-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN2C(=O)OCC[C@H]2C1 ZINC000801639351 674141339 /nfs/dbraw/zinc/14/13/39/674141339.db2.gz NWOFRLIZESSYBL-NSHDSACASA-N -1 1 361.785 2.261 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000077383528 542375490 /nfs/dbraw/zinc/37/54/90/542375490.db2.gz XDIUKLWDIBHFBR-GHMZBOCLSA-N -1 1 364.464 2.054 20 0 FEADMM O=S(=O)([N-]CCCOCC1CCOCC1)c1ccc(F)c(F)c1F ZINC000077396831 542377741 /nfs/dbraw/zinc/37/77/41/542377741.db2.gz OCJHYGUUHWEQLP-UHFFFAOYSA-N -1 1 367.389 2.216 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000078808728 542482640 /nfs/dbraw/zinc/48/26/40/542482640.db2.gz CIDOLLMLWMOWOC-UHFFFAOYSA-N -1 1 369.425 2.158 20 0 FEADMM CCO[C@H](CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C1CCCC1 ZINC000080030012 542559384 /nfs/dbraw/zinc/55/93/84/542559384.db2.gz MYHDWNMSGUIFHI-QGZVFWFLSA-N -1 1 374.485 2.284 20 0 FEADMM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC000091574841 542813111 /nfs/dbraw/zinc/81/31/11/542813111.db2.gz YPNSXZISDUWUEN-UHFFFAOYSA-N -1 1 358.421 2.472 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000093058886 542906090 /nfs/dbraw/zinc/90/60/90/542906090.db2.gz MOAKLLQIJCZIHP-UHFFFAOYSA-N -1 1 366.425 2.424 20 0 FEADMM CCN(CCO)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000098075225 543019882 /nfs/dbraw/zinc/01/98/82/543019882.db2.gz QMVHDBLYPLKPLG-UHFFFAOYSA-N -1 1 362.451 2.250 20 0 FEADMM CCCc1noc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)n1 ZINC000108592935 543296881 /nfs/dbraw/zinc/29/68/81/543296881.db2.gz SGMMXPWZOYRYBU-UHFFFAOYSA-N -1 1 353.448 2.237 20 0 FEADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000110096629 543348598 /nfs/dbraw/zinc/34/85/98/543348598.db2.gz YJGDPOXQOMRRJL-INIZCTEOSA-N -1 1 354.472 2.479 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3nc[nH]n3)cc2)c(=O)[n-]1 ZINC000110093174 543348963 /nfs/dbraw/zinc/34/89/63/543348963.db2.gz KGTIMHDYFIXJDU-UHFFFAOYSA-N -1 1 370.438 2.157 20 0 FEADMM CCCc1cc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n[nH]1 ZINC000110851053 543370098 /nfs/dbraw/zinc/37/00/98/543370098.db2.gz YXOXQBWEPWFONM-UHFFFAOYSA-N -1 1 366.425 2.387 20 0 FEADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000113082237 543473897 /nfs/dbraw/zinc/47/38/97/543473897.db2.gz ABJILXYQXPQSCY-IUCAKERBSA-N -1 1 364.261 2.048 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)o1 ZINC000113213216 543477388 /nfs/dbraw/zinc/47/73/88/543477388.db2.gz SEXUWFZAIYXGOE-GOSISDBHSA-N -1 1 362.451 2.382 20 0 FEADMM CC(=O)N(c1nc(CS(=O)(=O)c2ccc([O-])cc2)cs1)C1CC1 ZINC000114839771 543539565 /nfs/dbraw/zinc/53/95/65/543539565.db2.gz NUXCERCJHXRXEQ-UHFFFAOYSA-N -1 1 352.437 2.338 20 0 FEADMM Cc1cc(F)cc2[nH]c(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)cc21 ZINC000116765115 543615428 /nfs/dbraw/zinc/61/54/28/543615428.db2.gz UNUFTLUCTMBGJT-UHFFFAOYSA-N -1 1 367.384 2.498 20 0 FEADMM CCC[C@@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1nn[n-]n1 ZINC000122723335 543720213 /nfs/dbraw/zinc/72/02/13/543720213.db2.gz HEQSRYLJMBMWAG-WDEREUQCSA-N -1 1 366.219 2.096 20 0 FEADMM COCCC1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCC1 ZINC000123895877 543789839 /nfs/dbraw/zinc/78/98/39/543789839.db2.gz SUYCVWXELFHCJW-UHFFFAOYSA-N -1 1 360.458 2.307 20 0 FEADMM C[C@@H](CN(C)C(=O)CSCC(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000124468070 543823527 /nfs/dbraw/zinc/82/35/27/543823527.db2.gz ANJUMOMBWMNGJJ-JTQLQIEISA-N -1 1 367.862 2.031 20 0 FEADMM C[C@H](CN(C)C(=O)CCCOc1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC000124499349 543826216 /nfs/dbraw/zinc/82/62/16/543826216.db2.gz IKEJFVYCBDSTEI-CQSZACIVSA-N -1 1 357.458 2.500 20 0 FEADMM CCOc1cccc([C@@H](C)NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000124032044 543797597 /nfs/dbraw/zinc/79/75/97/543797597.db2.gz GZWZXKFPBZPBQE-LLVKDONJSA-N -1 1 352.412 2.077 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1cc(F)ccc1Br)c1nn[n-]n1 ZINC000124587760 543830868 /nfs/dbraw/zinc/83/08/68/543830868.db2.gz WEZLCHUPHVIPDL-VIFPVBQESA-N -1 1 370.226 2.296 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(OCc2ccccn2)cc1)c1nn[n-]n1 ZINC000124668401 543836110 /nfs/dbraw/zinc/83/61/10/543836110.db2.gz YGEVSVPYNIJZRI-CYBMUJFWSA-N -1 1 352.398 2.049 20 0 FEADMM Cc1ccc([C@H](NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)C2CC2)cc1 ZINC000127135486 543974607 /nfs/dbraw/zinc/97/46/07/543974607.db2.gz KZVNZMSMLGDWAI-INIZCTEOSA-N -1 1 374.466 2.032 20 0 FEADMM O=C(NCCNC(=O)c1ccc(Br)cc1[O-])c1cccs1 ZINC000127530584 543998630 /nfs/dbraw/zinc/99/86/30/543998630.db2.gz WZVQFTMFROFVLC-UHFFFAOYSA-N -1 1 369.240 2.376 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](Cc2ccccc2)C(C)=O)c(=O)[n-]1 ZINC000128161025 544036176 /nfs/dbraw/zinc/03/61/76/544036176.db2.gz UATKKZODOBSRRL-MRXNPFEDSA-N -1 1 373.478 2.049 20 0 FEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1sccc1Br)C1CC1 ZINC000129069408 544089216 /nfs/dbraw/zinc/08/92/16/544089216.db2.gz RRMDPOYRFBSSMB-NSHDSACASA-N -1 1 368.274 2.131 20 0 FEADMM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2n[nH]c3ccccc32)c1 ZINC000129415694 544110900 /nfs/dbraw/zinc/11/09/00/544110900.db2.gz KWGZIWMMPMGFMR-UHFFFAOYSA-N -1 1 359.407 2.243 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)o1 ZINC000130011010 544135373 /nfs/dbraw/zinc/13/53/73/544135373.db2.gz NDEKAEJYMAXVKJ-CYBMUJFWSA-N -1 1 350.440 2.199 20 0 FEADMM COC[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000130324358 544146933 /nfs/dbraw/zinc/14/69/33/544146933.db2.gz LMZPVLLCRDBZAW-MRVPVSSYSA-N -1 1 361.769 2.035 20 0 FEADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000131064207 544176003 /nfs/dbraw/zinc/17/60/03/544176003.db2.gz JFBILMYALUMCOG-VXGBXAGGSA-N -1 1 364.870 2.257 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccccn1)c1nc(-c2ccncc2)no1 ZINC000131620876 544198366 /nfs/dbraw/zinc/19/83/66/544198366.db2.gz TZEMUMWDNHWHER-AWEZNQCLSA-N -1 1 359.411 2.202 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1ccc(OC)cc1 ZINC000552210208 674195174 /nfs/dbraw/zinc/19/51/74/674195174.db2.gz RKHUFTYTKHVCSF-HNNXBMFYSA-N -1 1 353.371 2.027 20 0 FEADMM Cc1ocnc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000134441571 544308172 /nfs/dbraw/zinc/30/81/72/544308172.db2.gz DYMHBIIWDDLMDR-UHFFFAOYSA-N -1 1 372.406 2.109 20 0 FEADMM CCc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1C(=O)[O-] ZINC000137509687 544391306 /nfs/dbraw/zinc/39/13/06/544391306.db2.gz FZZKXYLOAJJZTP-UHFFFAOYSA-N -1 1 359.354 2.210 20 0 FEADMM CCC[C@@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nn[n-]n1 ZINC000136655857 544376442 /nfs/dbraw/zinc/37/64/42/544376442.db2.gz IMSPTKNMFCHKFF-CYBMUJFWSA-N -1 1 373.392 2.369 20 0 FEADMM CCCOc1cc(C)ccc1CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000151030257 544498012 /nfs/dbraw/zinc/49/80/12/544498012.db2.gz BUJJHAKFUKIWIV-UHFFFAOYSA-N -1 1 366.439 2.215 20 0 FEADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000151884364 544591720 /nfs/dbraw/zinc/59/17/20/544591720.db2.gz ISRYJRMHIAKREJ-UHFFFAOYSA-N -1 1 360.435 2.415 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(OC(F)F)c2)co1 ZINC000151972769 544602483 /nfs/dbraw/zinc/60/24/83/544602483.db2.gz GKJSLAOWKCQBGY-UHFFFAOYSA-N -1 1 360.338 2.350 20 0 FEADMM O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1nnn[n-]1 ZINC000152560606 544667882 /nfs/dbraw/zinc/66/78/82/544667882.db2.gz DAZLTNAMGWTVAV-UHFFFAOYSA-N -1 1 374.430 2.287 20 0 FEADMM O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1nn[n-]n1 ZINC000152560606 544667885 /nfs/dbraw/zinc/66/78/85/544667885.db2.gz DAZLTNAMGWTVAV-UHFFFAOYSA-N -1 1 374.430 2.287 20 0 FEADMM O=S(=O)(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ncn[n-]1 ZINC000153012219 544723442 /nfs/dbraw/zinc/72/34/42/544723442.db2.gz HZWNPMBEOKSAKE-UHFFFAOYSA-N -1 1 360.182 2.135 20 0 FEADMM O=S(=O)(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc[n-]n1 ZINC000153012219 544723446 /nfs/dbraw/zinc/72/34/46/544723446.db2.gz HZWNPMBEOKSAKE-UHFFFAOYSA-N -1 1 360.182 2.135 20 0 FEADMM O=C(c1ncccc1[O-])N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000153091048 544731352 /nfs/dbraw/zinc/73/13/52/544731352.db2.gz WUSYQFYTLZMFHW-CQSZACIVSA-N -1 1 365.311 2.119 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@](C)(CO)C2CCCCC2)c(=O)[n-]1 ZINC000152887718 544707622 /nfs/dbraw/zinc/70/76/22/544707622.db2.gz MCFPWUKOSVNUQQ-GOSISDBHSA-N -1 1 367.515 2.180 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2cn(C(C)(C)C)nc2C)c1 ZINC000152976823 544718419 /nfs/dbraw/zinc/71/84/19/544718419.db2.gz LLHKLPRHXNUQJY-LLVKDONJSA-N -1 1 369.443 2.366 20 0 FEADMM COc1cc(C(=O)N[C@H](C)C(=O)NCc2ccco2)cc(Cl)c1[O-] ZINC000153684031 544808301 /nfs/dbraw/zinc/80/83/01/544808301.db2.gz UZMXXUJEVQFGBQ-SECBINFHSA-N -1 1 352.774 2.082 20 0 FEADMM CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1nn[n-]n1 ZINC000153928123 544841120 /nfs/dbraw/zinc/84/11/20/544841120.db2.gz CPFHEPMCZKGSHQ-LBPRGKRZSA-N -1 1 354.370 2.061 20 0 FEADMM COCCNC(=O)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000552925400 674230023 /nfs/dbraw/zinc/23/00/23/674230023.db2.gz OVWNCSXXDYXDMM-UHFFFAOYSA-N -1 1 350.321 2.299 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCN(CC(F)(F)F)CC1 ZINC000179321142 327636557 /nfs/dbraw/zinc/63/65/57/327636557.db2.gz JWWOXYULEQKXOS-UHFFFAOYSA-N -1 1 367.165 2.475 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](CO)C3)c2)cc1 ZINC000179702992 327656534 /nfs/dbraw/zinc/65/65/34/327656534.db2.gz WEDIIJGVOKNAON-HNNXBMFYSA-N -1 1 374.462 2.250 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000180198175 327675951 /nfs/dbraw/zinc/67/59/51/327675951.db2.gz ZHDYROFTQWDJSR-UHFFFAOYSA-N -1 1 360.844 2.248 20 0 FEADMM CC(C)c1nnc(/C=C/C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)o1 ZINC000181085513 327715588 /nfs/dbraw/zinc/71/55/88/327715588.db2.gz CTVOLJYHJPDFJK-VOTSOKGWSA-N -1 1 368.390 2.356 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC(F)F)c1c(F)cccc1OC(F)(F)F ZINC000553882540 674291829 /nfs/dbraw/zinc/29/18/29/674291829.db2.gz TVCYLPZMXLOIPY-ZCFIWIBFSA-N -1 1 367.267 2.019 20 0 FEADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000186422940 327961343 /nfs/dbraw/zinc/96/13/43/327961343.db2.gz ZYIVLLZBJQCOGN-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM CCCCN(C)S(=O)(=O)[N-]c1ccn(Cc2ccc(OC)cc2)n1 ZINC000187793929 328046442 /nfs/dbraw/zinc/04/64/42/328046442.db2.gz ACDWVLJIEQIJFF-UHFFFAOYSA-N -1 1 352.460 2.329 20 0 FEADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000188249908 328075635 /nfs/dbraw/zinc/07/56/35/328075635.db2.gz REHWZPROBUWTHI-UHFFFAOYSA-N -1 1 366.292 2.015 20 0 FEADMM CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000188339594 328081765 /nfs/dbraw/zinc/08/17/65/328081765.db2.gz OTBMFXMHMBTVTP-VIFPVBQESA-N -1 1 371.235 2.071 20 0 FEADMM CO[C@@H]1CC[C@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000188443123 328087336 /nfs/dbraw/zinc/08/73/36/328087336.db2.gz RSJRICNJXDFKGW-VHSXEESVSA-N -1 1 361.179 2.294 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccc1F ZINC000188580430 328096605 /nfs/dbraw/zinc/09/66/05/328096605.db2.gz JPWYSFMRWOPISU-UHFFFAOYSA-N -1 1 350.371 2.154 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-n2ncn(C)c2=O)cc1 ZINC000189054193 328126101 /nfs/dbraw/zinc/12/61/01/328126101.db2.gz CTBSBDVUOFCODG-UHFFFAOYSA-N -1 1 372.450 2.495 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(Cn2cncn2)CC1 ZINC000190717729 328227387 /nfs/dbraw/zinc/22/73/87/328227387.db2.gz CUOXEALKQWJSPW-UHFFFAOYSA-N -1 1 365.231 2.299 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](Cc2ccccc2)C(C)C)co1 ZINC000190747052 328229830 /nfs/dbraw/zinc/22/98/30/328229830.db2.gz KSFYJFCYZXTJDW-HNNXBMFYSA-N -1 1 364.467 2.432 20 0 FEADMM CC[C@@H]1COCCN1C(=O)c1cc(I)ccc1[O-] ZINC000191857975 328285248 /nfs/dbraw/zinc/28/52/48/328285248.db2.gz MLBYFNXANJJGBJ-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])[C@@H](C)CO1 ZINC000192614085 328328674 /nfs/dbraw/zinc/32/86/74/328328674.db2.gz GNOYGCBIAUWDPP-DTWKUNHWSA-N -1 1 361.179 2.246 20 0 FEADMM COc1cc(CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C2CC2)ccc1O ZINC000193559628 328381994 /nfs/dbraw/zinc/38/19/94/328381994.db2.gz PNBHEROFRREEFP-UHFFFAOYSA-N -1 1 365.389 2.442 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016101030 324384473 /nfs/dbraw/zinc/38/44/73/324384473.db2.gz GUQJCKMATSAWSR-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)o1 ZINC000028045958 324437989 /nfs/dbraw/zinc/43/79/89/324437989.db2.gz WHGPRMKTNFWYRM-LLVKDONJSA-N -1 1 370.427 2.294 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1ccc(F)c(F)c1F ZINC000041626902 324511895 /nfs/dbraw/zinc/51/18/95/324511895.db2.gz IUBVEDUNEXTIHD-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1sccc1Br ZINC000042351249 324525132 /nfs/dbraw/zinc/52/51/32/324525132.db2.gz QKJPMFQBJQQYSF-QMMMGPOBSA-N -1 1 350.263 2.074 20 0 FEADMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000195475461 328479455 /nfs/dbraw/zinc/47/94/55/328479455.db2.gz LSXHHVDAGWWIFA-QUBYGPBYSA-N -1 1 371.673 2.450 20 0 FEADMM O=C(NC[C@@H]1CCCOC1)c1ccc(I)c([O-])c1 ZINC000230889636 328487075 /nfs/dbraw/zinc/48/70/75/328487075.db2.gz IQTLWVPZXRMTPN-VIFPVBQESA-N -1 1 361.179 2.153 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1 ZINC000055678792 324786207 /nfs/dbraw/zinc/78/62/07/324786207.db2.gz PLEOAASZPOWNQV-UHFFFAOYSA-N -1 1 372.443 2.226 20 0 FEADMM Cc1ccccc1O[C@H](C)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000078229132 325035843 /nfs/dbraw/zinc/03/58/43/325035843.db2.gz DIZRBOBRXYLRMR-CYBMUJFWSA-N -1 1 368.437 2.074 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(c1)CCO2 ZINC000079542127 325095958 /nfs/dbraw/zinc/09/59/58/325095958.db2.gz FNZJNYFUVIMQJL-UHFFFAOYSA-N -1 1 362.389 2.256 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000079582253 325097693 /nfs/dbraw/zinc/09/76/93/325097693.db2.gz JEARDSTXJQIOGM-MGPLVRAMSA-N -1 1 366.414 2.380 20 0 FEADMM O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080023265 325114467 /nfs/dbraw/zinc/11/44/67/325114467.db2.gz ADTLEQCYWRNPQL-UHFFFAOYSA-N -1 1 364.323 2.408 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000080504312 325134061 /nfs/dbraw/zinc/13/40/61/325134061.db2.gz VWUPDOAFFUCKNP-UHFFFAOYSA-N -1 1 358.467 2.483 20 0 FEADMM CN(CC(C)(C)O)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000080821201 325145092 /nfs/dbraw/zinc/14/50/92/325145092.db2.gz RJEXKNLSPLFQBI-UHFFFAOYSA-N -1 1 362.451 2.330 20 0 FEADMM CCn1c(CCNC(=O)C[C@H](O)c2ccc(Cl)cc2)n[n-]c1=S ZINC000091444249 325386719 /nfs/dbraw/zinc/38/67/19/325386719.db2.gz GVDBJBDYTBILLV-LBPRGKRZSA-N -1 1 354.863 2.396 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092600514 325421371 /nfs/dbraw/zinc/42/13/71/325421371.db2.gz UFMWHULJUJXREZ-NEPJUHHUSA-N -1 1 353.216 2.038 20 0 FEADMM CC(=O)Nc1ccc(C)c(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000104144482 325533569 /nfs/dbraw/zinc/53/35/69/325533569.db2.gz WKTARFKRFZUVTN-UHFFFAOYSA-N -1 1 367.409 2.087 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c(C)[nH]c3ccccc32)o1 ZINC000107700460 325633404 /nfs/dbraw/zinc/63/34/04/325633404.db2.gz LCSRZBYZOLLOSU-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1OC ZINC000114496850 325900363 /nfs/dbraw/zinc/90/03/63/325900363.db2.gz QELOXUBLJHITSW-QMMMGPOBSA-N -1 1 358.391 2.487 20 0 FEADMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1=O ZINC000114743600 325919921 /nfs/dbraw/zinc/91/99/21/325919921.db2.gz KGILYVKWGLQRLP-SSDOTTSWSA-N -1 1 357.284 2.343 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCS[C@H](C)[C@H]1C ZINC000118377402 326089878 /nfs/dbraw/zinc/08/98/78/326089878.db2.gz KHLFQBGYXQJIPT-ZIAGYGMSSA-N -1 1 372.494 2.425 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC([C@H](O)c3ccccc3)CC1)c2=O ZINC000119148463 326131562 /nfs/dbraw/zinc/13/15/62/326131562.db2.gz YBASWNBHNZJHRU-QGZVFWFLSA-N -1 1 366.421 2.260 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1COc1ccccc1)c2=O ZINC000119250208 326141655 /nfs/dbraw/zinc/14/16/55/326141655.db2.gz ROFMHUDNDXOPCR-ZDUSSCGKSA-N -1 1 352.394 2.358 20 0 FEADMM COc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccco4)n[nH]3)CC2=O)cc1 ZINC000119280592 326144425 /nfs/dbraw/zinc/14/44/25/326144425.db2.gz XDECHSQNVQWHSY-LLVKDONJSA-N -1 1 367.365 2.065 20 0 FEADMM COC(=O)c1ccc(CCC(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1 ZINC000119291951 326145586 /nfs/dbraw/zinc/14/55/86/326145586.db2.gz NTPLUEVSEPUFEB-UHFFFAOYSA-N -1 1 353.382 2.168 20 0 FEADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119396405 326157899 /nfs/dbraw/zinc/15/78/99/326157899.db2.gz DTWSJXXGIFKUFV-BDJLRTHQSA-N -1 1 352.394 2.138 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000122513215 326399694 /nfs/dbraw/zinc/39/96/94/326399694.db2.gz MAKWJRKWEMQEQN-AWEZNQCLSA-N -1 1 365.311 2.119 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000126608750 326491923 /nfs/dbraw/zinc/49/19/23/326491923.db2.gz HTBRUHDLZFWIEB-BZUAXINKSA-N -1 1 358.442 2.058 20 0 FEADMM COCCOc1cc(C)ccc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127514479 326507795 /nfs/dbraw/zinc/50/77/95/326507795.db2.gz LWWATXCEABOUPY-UHFFFAOYSA-N -1 1 367.405 2.187 20 0 FEADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1c([O-])cccc1F ZINC000129184292 326535995 /nfs/dbraw/zinc/53/59/95/326535995.db2.gz ZEMAGGFMNVGOAM-LBPRGKRZSA-N -1 1 350.296 2.345 20 0 FEADMM C[C@@H](NC(=O)c1ncccc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000130317190 326554692 /nfs/dbraw/zinc/55/46/92/326554692.db2.gz OGEIEKRKBYSWJU-CYBMUJFWSA-N -1 1 354.410 2.144 20 0 FEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000130876600 326564973 /nfs/dbraw/zinc/56/49/73/326564973.db2.gz VFILFSRVKOQFGU-CYBMUJFWSA-N -1 1 351.428 2.196 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000131074107 326568249 /nfs/dbraw/zinc/56/82/49/326568249.db2.gz YCUVHZZFKDHRRT-UHFFFAOYSA-N -1 1 356.806 2.187 20 0 FEADMM COc1ccc(C(C)(C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000133883314 326616269 /nfs/dbraw/zinc/61/62/69/326616269.db2.gz GMKQHCPGHWNDEU-UHFFFAOYSA-N -1 1 368.437 2.242 20 0 FEADMM CCC(CC)CS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000152331273 326704523 /nfs/dbraw/zinc/70/45/23/326704523.db2.gz BHSHQRIYZZKHKH-NSHDSACASA-N -1 1 370.479 2.298 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCCc2nc(C)cs2)c1 ZINC000152615779 326712023 /nfs/dbraw/zinc/71/20/23/326712023.db2.gz KYGAYDNLUZBKHJ-UHFFFAOYSA-N -1 1 358.441 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)co1 ZINC000162729818 327033072 /nfs/dbraw/zinc/03/30/72/327033072.db2.gz VICPOQFLIDYUEB-INIZCTEOSA-N -1 1 364.423 2.077 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nncn3C)c2)cc1 ZINC000163047275 327041288 /nfs/dbraw/zinc/04/12/88/327041288.db2.gz GKAWFFAZJBMXRY-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2scnc2C)c(=O)[n-]1 ZINC000171693122 327155445 /nfs/dbraw/zinc/15/54/45/327155445.db2.gz MPGFJRCJRWSVBS-UHFFFAOYSA-N -1 1 352.485 2.156 20 0 FEADMM Cc1cc(C(=O)Nc2cccc(N(C)C(C)C)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172802601 327220055 /nfs/dbraw/zinc/22/00/55/327220055.db2.gz FRDWRCNCCYBXHJ-UHFFFAOYSA-N -1 1 367.409 2.429 20 0 FEADMM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000172807657 327220418 /nfs/dbraw/zinc/22/04/18/327220418.db2.gz YLWZKZFOOFGVJN-ZDUSSCGKSA-N -1 1 361.467 2.301 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173200432 327240949 /nfs/dbraw/zinc/24/09/49/327240949.db2.gz SNGPBCVLBYEVCN-IUCAKERBSA-N -1 1 354.288 2.337 20 0 FEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000174022102 327302019 /nfs/dbraw/zinc/30/20/19/327302019.db2.gz QONHEWFTHWLREL-CQSZACIVSA-N -1 1 350.440 2.281 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCS[C@@H](C(C)C)C1 ZINC000174281302 327317084 /nfs/dbraw/zinc/31/70/84/327317084.db2.gz DSICOTJSWCHIHC-MRXNPFEDSA-N -1 1 372.494 2.283 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000174938048 327362405 /nfs/dbraw/zinc/36/24/05/327362405.db2.gz LYCGAYAWLHXDMN-LBPRGKRZSA-N -1 1 363.458 2.180 20 0 FEADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000176582837 327464714 /nfs/dbraw/zinc/46/47/14/327464714.db2.gz IIMAEXLGBYIEAT-LLVKDONJSA-N -1 1 369.450 2.377 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)c1nccs1 ZINC000178550009 327591844 /nfs/dbraw/zinc/59/18/44/327591844.db2.gz LEEOKPQSKBDART-LLVKDONJSA-N -1 1 358.416 2.498 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H]3O)cc2)cc1 ZINC000178622842 327596365 /nfs/dbraw/zinc/59/63/65/327596365.db2.gz CNAXEALWRWAXOP-ROUUACIJSA-N -1 1 374.462 2.439 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1CCCO1 ZINC000263792191 328962868 /nfs/dbraw/zinc/96/28/68/328962868.db2.gz JYXUXOICQMVNIF-QGZVFWFLSA-N -1 1 360.435 2.283 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000265126084 329093891 /nfs/dbraw/zinc/09/38/91/329093891.db2.gz FRLLHUBFLHNFBU-NXEZZACHSA-N -1 1 364.389 2.029 20 0 FEADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)cc2O1 ZINC000265263090 329108215 /nfs/dbraw/zinc/10/82/15/329108215.db2.gz JTAIYSWEZRDMBD-UHFFFAOYSA-N -1 1 374.418 2.281 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@](C)(O)c2cccs2)c(=O)[n-]1 ZINC000265802061 329161649 /nfs/dbraw/zinc/16/16/49/329161649.db2.gz IHOWPTJXTPDEDE-INIZCTEOSA-N -1 1 367.496 2.231 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1nc(C2CC2)no1 ZINC000266162901 329196209 /nfs/dbraw/zinc/19/62/09/329196209.db2.gz LKVLLSYGGDCVJU-CYBMUJFWSA-N -1 1 353.448 2.400 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c(C)nn(CC)c2C)o1 ZINC000266171864 329196897 /nfs/dbraw/zinc/19/68/97/329196897.db2.gz JOMKHBCNTPOKJO-CQSZACIVSA-N -1 1 355.460 2.341 20 0 FEADMM CCCN(CC(C)(C)O)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000267169849 329298844 /nfs/dbraw/zinc/29/88/44/329298844.db2.gz ULVXJUKPMPPSAA-UHFFFAOYSA-N -1 1 358.442 2.105 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H](OC)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000267180486 329299924 /nfs/dbraw/zinc/29/99/24/329299924.db2.gz PVCATRVGLGXEEM-CQSZACIVSA-N -1 1 373.475 2.249 20 0 FEADMM COc1ccc(NC(=O)NCC2(C)CCOCC2)cc1[N-]S(C)(=O)=O ZINC000267821867 329360582 /nfs/dbraw/zinc/36/05/82/329360582.db2.gz HFKFPXHXRKWCJG-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM CC[C@@H]1CC[C@H](C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])O1 ZINC000268234006 329399521 /nfs/dbraw/zinc/39/95/21/329399521.db2.gz MBGMTJKGONLRTP-MLGOLLRUSA-N -1 1 370.471 2.319 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)CO)cc1 ZINC000268921988 329468342 /nfs/dbraw/zinc/46/83/42/329468342.db2.gz WQRNLDRPNMGUED-ZDUSSCGKSA-N -1 1 362.451 2.154 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2ccccc2)o1 ZINC000269300745 329505593 /nfs/dbraw/zinc/50/55/93/329505593.db2.gz QQMDOPQUGGCGGF-NSHDSACASA-N -1 1 351.380 2.006 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)c1ccc(C)o1 ZINC000269862720 329555424 /nfs/dbraw/zinc/55/54/24/329555424.db2.gz SJRNDHPKLYVGPT-LBPRGKRZSA-N -1 1 371.386 2.180 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000271362910 329687791 /nfs/dbraw/zinc/68/77/91/329687791.db2.gz OZJLGNOMXNKYLL-DZGCQCFKSA-N -1 1 370.453 2.417 20 0 FEADMM O=C(Cn1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1)NC1CC1 ZINC000271869695 329732579 /nfs/dbraw/zinc/73/25/79/329732579.db2.gz NQAISEVZQSESHA-UHFFFAOYSA-N -1 1 368.315 2.138 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000272518996 329787533 /nfs/dbraw/zinc/78/75/33/329787533.db2.gz RQCHVDBLZUYIHQ-RDJZCZTQSA-N -1 1 370.453 2.105 20 0 FEADMM CC[C@H]1C[C@H](C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000272561517 329792132 /nfs/dbraw/zinc/79/21/32/329792132.db2.gz VMJQPQMHFNLRRL-YPMHNXCESA-N -1 1 356.444 2.210 20 0 FEADMM COc1ccc(NC(=O)NCC[C@@H]2CCCCO2)cc1[N-]S(C)(=O)=O ZINC000272578365 329793468 /nfs/dbraw/zinc/79/34/68/329793468.db2.gz TVGOLZJLUIRBRA-ZDUSSCGKSA-N -1 1 371.459 2.147 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NO[C@H]2CCCCO2)c1 ZINC000273310177 329854764 /nfs/dbraw/zinc/85/47/64/329854764.db2.gz MTMAYQAMUJIVOZ-HNNXBMFYSA-N -1 1 361.354 2.129 20 0 FEADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2c(C)cc(C)cc2C)no1 ZINC000273674765 329883417 /nfs/dbraw/zinc/88/34/17/329883417.db2.gz HKBMOKRQPHTROE-UHFFFAOYSA-N -1 1 367.471 2.042 20 0 FEADMM O=C(NC1CC1)N[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000273765056 329889819 /nfs/dbraw/zinc/88/98/19/329889819.db2.gz UHUYESKXYLNTEH-NSHDSACASA-N -1 1 357.332 2.087 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)Cc2noc3ccccc32)s1 ZINC000275573401 330065193 /nfs/dbraw/zinc/06/51/93/330065193.db2.gz GUCGGLAOEACBMI-UHFFFAOYSA-N -1 1 356.454 2.021 20 0 FEADMM CC[C@@]1(C)CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000275988882 330109408 /nfs/dbraw/zinc/10/94/08/330109408.db2.gz DXFMCVODHTYSIV-INIZCTEOSA-N -1 1 371.459 2.100 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)c1ccc2ccccc2c1 ZINC000276131151 330122247 /nfs/dbraw/zinc/12/22/47/330122247.db2.gz AQQROXAXWCIQAI-AFAVFJNCSA-N -1 1 363.435 2.151 20 0 FEADMM CN(CCCCO)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000276520896 330160577 /nfs/dbraw/zinc/16/05/77/330160577.db2.gz XNJPBIDZMZAXSZ-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccccc3C(C)=O)CC2)n1 ZINC000369322490 330239230 /nfs/dbraw/zinc/23/92/30/330239230.db2.gz RIPHUFMPDANMEO-UHFFFAOYSA-N -1 1 370.409 2.204 20 0 FEADMM CO[C@@H](CC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(F)(F)F ZINC000805074242 674317118 /nfs/dbraw/zinc/31/71/18/674317118.db2.gz FGYCNJJZCIIESR-QMMMGPOBSA-N -1 1 350.721 2.120 20 0 FEADMM O=C(NCCS(=O)(=O)[N-][C@@H]1CCCC1(F)F)OCc1ccccc1 ZINC000805143828 674323076 /nfs/dbraw/zinc/32/30/76/674323076.db2.gz QAMHLTBEUYDKAI-CYBMUJFWSA-N -1 1 362.398 2.020 20 0 FEADMM CCOC(C)(C)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805320542 674330968 /nfs/dbraw/zinc/33/09/68/674330968.db2.gz KJSDMTCEOZJYRF-SRVKXCTJSA-N -1 1 367.412 2.289 20 0 FEADMM C[C@H]1CCN(CC(=O)NCCC(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789199 674354275 /nfs/dbraw/zinc/35/42/75/674354275.db2.gz XVIIEZKEFDGDCE-OBJOEFQTSA-N -1 1 365.440 2.316 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000155888389 545580807 /nfs/dbraw/zinc/58/08/07/545580807.db2.gz KQGBVXNQHZCKFR-UHFFFAOYSA-N -1 1 352.398 2.209 20 0 FEADMM CCc1nc(=NC(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)[n-][nH]1 ZINC000479051418 538780956 /nfs/dbraw/zinc/78/09/56/538780956.db2.gz UQSSKXKUDIHLDF-NSHDSACASA-N -1 1 374.470 2.117 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000155986465 545589801 /nfs/dbraw/zinc/58/98/01/545589801.db2.gz AMILCCDISGNQSC-BYPYZUCNSA-N -1 1 368.241 2.309 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2cccc(N(C)C)c2)c(=O)[n-]1 ZINC000156144175 545602668 /nfs/dbraw/zinc/60/26/68/545602668.db2.gz BNZQARZBHFBJIM-UHFFFAOYSA-N -1 1 374.510 2.457 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(c2cccc(C)c2)CCCC1 ZINC000477617344 561149563 /nfs/dbraw/zinc/14/95/63/561149563.db2.gz QCTYDZMIQAWCRV-UHFFFAOYSA-N -1 1 357.410 2.447 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)c3ccc([S@@](C)=O)cc3)[nH]c21 ZINC000162488229 546140491 /nfs/dbraw/zinc/14/04/91/546140491.db2.gz GDSWQMMDEVSDJL-VWLOTQADSA-N -1 1 357.391 2.339 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c(C)o1 ZINC000479160348 561183120 /nfs/dbraw/zinc/18/31/20/561183120.db2.gz JRZBHZRPIMNDOH-LBPRGKRZSA-N -1 1 355.334 2.384 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1)OCO2 ZINC000479253266 561185978 /nfs/dbraw/zinc/18/59/78/561185978.db2.gz KAJIKJVDYZWBFW-QFIPXVFZSA-N -1 1 353.421 2.262 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC(C)C ZINC000172726656 546266558 /nfs/dbraw/zinc/26/65/58/546266558.db2.gz IOVYGZHMYLNTJT-SECBINFHSA-N -1 1 353.362 2.218 20 0 FEADMM Cc1nc(CCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000176513730 546455732 /nfs/dbraw/zinc/45/57/32/546455732.db2.gz VDTCWVOZYSRCRH-UHFFFAOYSA-N -1 1 359.455 2.043 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1nn[n-]n1 ZINC000176750353 546483240 /nfs/dbraw/zinc/48/32/40/546483240.db2.gz PHHBYGFHKLDUEP-MRXNPFEDSA-N -1 1 353.430 2.333 20 0 FEADMM CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nn[n-]n1 ZINC000176760409 546484876 /nfs/dbraw/zinc/48/48/76/546484876.db2.gz YXOBCWSJTCCFBP-DZGCQCFKSA-N -1 1 371.445 2.101 20 0 FEADMM CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nn[n-]n1 ZINC000176760645 546485107 /nfs/dbraw/zinc/48/51/07/546485107.db2.gz KIMJFSJPIODGTI-JKSUJKDBSA-N -1 1 370.457 2.018 20 0 FEADMM CCC[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000176782954 546487852 /nfs/dbraw/zinc/48/78/52/546487852.db2.gz HERUHXCFRNZJDU-CYBMUJFWSA-N -1 1 364.837 2.021 20 0 FEADMM Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cnn1-c1ccccn1 ZINC000480716551 561215125 /nfs/dbraw/zinc/21/51/25/561215125.db2.gz XQIVBAQOXGIXSC-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CN1c1ccccc1 ZINC000480904044 561219878 /nfs/dbraw/zinc/21/98/78/561219878.db2.gz FSIAFFIOAJMXBL-HNNXBMFYSA-N -1 1 368.817 2.314 20 0 FEADMM CCN(Cc1ccccc1)S(=O)(=O)[N-][C@H](C(=O)OC)c1cccs1 ZINC000481000659 561222508 /nfs/dbraw/zinc/22/25/08/561222508.db2.gz FISVTBXFXUBZKZ-HNNXBMFYSA-N -1 1 368.480 2.319 20 0 FEADMM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000178111125 546740844 /nfs/dbraw/zinc/74/08/44/546740844.db2.gz QMCYCCPODUOPFP-OLXKUKDPSA-N -1 1 367.515 2.185 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCc2ccc(Cl)cc2)co1 ZINC000178919530 546872861 /nfs/dbraw/zinc/87/28/61/546872861.db2.gz ONUCCZJGQKFZFQ-UHFFFAOYSA-N -1 1 356.831 2.156 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc3ccccc32)co1 ZINC000179294533 546927275 /nfs/dbraw/zinc/92/72/75/546927275.db2.gz RYVYWOZEVBMVMY-UHFFFAOYSA-N -1 1 358.419 2.313 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000179538494 546972929 /nfs/dbraw/zinc/97/29/29/546972929.db2.gz FLWXHNWVSBOUJU-CMPLNLGQSA-N -1 1 368.361 2.060 20 0 FEADMM CCc1ccc([C@@H]2COCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)o1 ZINC000179715942 547003847 /nfs/dbraw/zinc/00/38/47/547003847.db2.gz QIUZLTXUHULCGM-AWEZNQCLSA-N -1 1 356.382 2.043 20 0 FEADMM CN1CC[C@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)[C@@H]1c1ccccc1 ZINC000180201094 547066757 /nfs/dbraw/zinc/06/67/57/547066757.db2.gz BZLLHIBCZXXAGJ-ROUUACIJSA-N -1 1 373.478 2.233 20 0 FEADMM CN1CC[C@@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)[C@@H]1c1ccccc1 ZINC000180201117 547066973 /nfs/dbraw/zinc/06/69/73/547066973.db2.gz BZLLHIBCZXXAGJ-MSOLQXFVSA-N -1 1 373.478 2.233 20 0 FEADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000180360088 547091605 /nfs/dbraw/zinc/09/16/05/547091605.db2.gz NASQBOVEARYXFH-JTQLQIEISA-N -1 1 351.346 2.060 20 0 FEADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180533943 547125679 /nfs/dbraw/zinc/12/56/79/547125679.db2.gz ISLRUPGUTRIYDR-SECBINFHSA-N -1 1 353.362 2.306 20 0 FEADMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000180986167 547225067 /nfs/dbraw/zinc/22/50/67/547225067.db2.gz LOKRJARJWLZPAO-HZPDHXFCSA-N -1 1 371.343 2.461 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)N(C)CC4)cc21 ZINC000181162770 547262127 /nfs/dbraw/zinc/26/21/27/547262127.db2.gz PMOVHQFTFGXFER-UHFFFAOYSA-N -1 1 371.462 2.389 20 0 FEADMM Cc1c(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cnn1C ZINC000181285091 547286419 /nfs/dbraw/zinc/28/64/19/547286419.db2.gz AMUQYBLYWSKIEG-UHFFFAOYSA-N -1 1 351.428 2.082 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)co1 ZINC000182932883 547575756 /nfs/dbraw/zinc/57/57/56/547575756.db2.gz AUEUQAWAAIIWBN-UHFFFAOYSA-N -1 1 374.422 2.243 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(C)c2C)c1 ZINC000183119517 547605165 /nfs/dbraw/zinc/60/51/65/547605165.db2.gz CFHFTZUMZZMPCY-UHFFFAOYSA-N -1 1 355.354 2.235 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nn[n-]n1 ZINC000183394876 547649402 /nfs/dbraw/zinc/64/94/02/547649402.db2.gz LADHMTKFQPGEJA-ZDUSSCGKSA-N -1 1 364.409 2.328 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000484748435 561305223 /nfs/dbraw/zinc/30/52/23/561305223.db2.gz CRHILTNCOSLARM-OAHLLOKOSA-N -1 1 362.455 2.369 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184965720 547908422 /nfs/dbraw/zinc/90/84/22/547908422.db2.gz LCCVZXHPEATHOH-ZDUSSCGKSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000184995316 547914654 /nfs/dbraw/zinc/91/46/54/547914654.db2.gz DLEBHKBSMCLIDI-SECBINFHSA-N -1 1 360.863 2.108 20 0 FEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000185053076 547924797 /nfs/dbraw/zinc/92/47/97/547924797.db2.gz GYMHHWLLNSLQQT-UHFFFAOYSA-N -1 1 368.480 2.199 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc12 ZINC000485296216 561316480 /nfs/dbraw/zinc/31/64/80/561316480.db2.gz DXYUSNVWMLDXGB-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM COc1cc2c(cc1S(=O)(=O)[N-]c1cc(C)ccc1F)OCC(=O)N2 ZINC000485394508 561318144 /nfs/dbraw/zinc/31/81/44/561318144.db2.gz WWQGEMNFLZJJAQ-UHFFFAOYSA-N -1 1 366.370 2.274 20 0 FEADMM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000186448860 548136822 /nfs/dbraw/zinc/13/68/22/548136822.db2.gz NOZUQUNHQNHLNQ-UHFFFAOYSA-N -1 1 368.368 2.070 20 0 FEADMM Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000186460891 548138715 /nfs/dbraw/zinc/13/87/15/548138715.db2.gz HOQAJFLMEITSFO-UHFFFAOYSA-N -1 1 368.368 2.070 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)Cc2n[nH]c3ccccc32)c1OC ZINC000486048908 561336806 /nfs/dbraw/zinc/33/68/06/561336806.db2.gz WDYCQKFRJZYYPF-UHFFFAOYSA-N -1 1 355.350 2.460 20 0 FEADMM O=c1nc(N[C@H]2CSc3ccc(Br)cc32)nc2[nH][n-]cc1-2 ZINC000486462061 561347809 /nfs/dbraw/zinc/34/78/09/561347809.db2.gz BZPSQKVCHAYGPL-VIFPVBQESA-N -1 1 364.228 2.453 20 0 FEADMM CCCCCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195128239 548580550 /nfs/dbraw/zinc/58/05/50/548580550.db2.gz WYQRMIZJEXGNKL-LLVKDONJSA-N -1 1 368.434 2.079 20 0 FEADMM CCCCCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195128239 548580555 /nfs/dbraw/zinc/58/05/55/548580555.db2.gz WYQRMIZJEXGNKL-LLVKDONJSA-N -1 1 368.434 2.079 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1cc(F)c(F)c(F)c1 ZINC000486888910 561359021 /nfs/dbraw/zinc/35/90/21/561359021.db2.gz UNMGDVCMRBNJBE-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM Cc1cccc(-c2noc(CS(=O)(=O)c3nnc(C(C)(C)C)[n-]3)n2)c1 ZINC000195176785 548591765 /nfs/dbraw/zinc/59/17/65/548591765.db2.gz SWJPDPIAJSIQQE-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1cccc(-c2noc(CS(=O)(=O)c3nc(C(C)(C)C)n[n-]3)n2)c1 ZINC000195176785 548591767 /nfs/dbraw/zinc/59/17/67/548591767.db2.gz SWJPDPIAJSIQQE-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1cccc(-c2noc(CS(=O)(=O)c3n[n-]c(C(C)(C)C)n3)n2)c1 ZINC000195176785 548591769 /nfs/dbraw/zinc/59/17/69/548591769.db2.gz SWJPDPIAJSIQQE-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccccc1NC(=O)CS(=O)(=O)c1nnc(Cc2ccccc2)[n-]1 ZINC000195290606 548613075 /nfs/dbraw/zinc/61/30/75/548613075.db2.gz UERPGECSPPLMEK-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM Cc1ccccc1NC(=O)CS(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000195290606 548613077 /nfs/dbraw/zinc/61/30/77/548613077.db2.gz UERPGECSPPLMEK-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM Cc1ccccc1NC(=O)CS(=O)(=O)c1n[n-]c(Cc2ccccc2)n1 ZINC000195290606 548613081 /nfs/dbraw/zinc/61/30/81/548613081.db2.gz UERPGECSPPLMEK-UHFFFAOYSA-N -1 1 370.434 2.116 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2[O-])CCO1 ZINC000220264346 548699376 /nfs/dbraw/zinc/69/93/76/548699376.db2.gz ZPFWEAVEXOYNLB-PSASIEDQSA-N -1 1 361.179 2.294 20 0 FEADMM COCCN(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000230889215 548761878 /nfs/dbraw/zinc/76/18/78/548761878.db2.gz BFENISGMUDGIDO-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000230901391 548762635 /nfs/dbraw/zinc/76/26/35/548762635.db2.gz YBTHWIBNSUBUDB-ZYHUDNBSSA-N -1 1 361.179 2.294 20 0 FEADMM C[C@]1(NC(=O)c2ccc(I)c([O-])c2)CCCOC1 ZINC000230906908 548762972 /nfs/dbraw/zinc/76/29/72/548762972.db2.gz XQGGJPDXPJZGHW-ZDUSSCGKSA-N -1 1 361.179 2.296 20 0 FEADMM C[C@H]1OCC[C@]1(C)NC(=O)c1cc(I)ccc1[O-] ZINC000235624799 548765884 /nfs/dbraw/zinc/76/58/84/548765884.db2.gz OTMKZHWJTKKRCO-OQPBUACISA-N -1 1 361.179 2.294 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246132074 549059987 /nfs/dbraw/zinc/05/99/87/549059987.db2.gz BCQBPSGBKHIMHZ-IWMITWMQSA-N -1 1 362.433 2.027 20 0 FEADMM COc1ccc(Cn2ccc([N-]S(=O)(=O)N3CCC[C@H]3C)n2)cc1 ZINC000488368480 561388731 /nfs/dbraw/zinc/38/87/31/561388731.db2.gz PLIIORXGZLOJHW-CYBMUJFWSA-N -1 1 350.444 2.081 20 0 FEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000489602015 561415246 /nfs/dbraw/zinc/41/52/46/561415246.db2.gz DIEFUDGHZCGWSC-OCCSQVGLSA-N -1 1 357.385 2.061 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3CC[C@H](C(=O)OC(C)(C)C)C3)c2=O)[nH+]1 ZINC000490003513 561424422 /nfs/dbraw/zinc/42/44/22/561424422.db2.gz WYDCNMCXEUVHHN-LBPRGKRZSA-N -1 1 357.410 2.448 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1)c2=O ZINC000490003513 561424424 /nfs/dbraw/zinc/42/44/24/561424424.db2.gz WYDCNMCXEUVHHN-LBPRGKRZSA-N -1 1 357.410 2.448 20 0 FEADMM CSc1cc(O)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000490247336 561429586 /nfs/dbraw/zinc/42/95/86/561429586.db2.gz KNLXMWVPRTTWJE-UHFFFAOYSA-N -1 1 358.379 2.424 20 0 FEADMM CCC[C@H](NCC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000262286932 549806557 /nfs/dbraw/zinc/80/65/57/549806557.db2.gz MQKDDRQLSUWJDN-LSDHHAIUSA-N -1 1 364.442 2.210 20 0 FEADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000490565279 561435167 /nfs/dbraw/zinc/43/51/67/561435167.db2.gz MLIKRQMRCAXROI-MRXNPFEDSA-N -1 1 353.422 2.498 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263278610 549891287 /nfs/dbraw/zinc/89/12/87/549891287.db2.gz SRKFIDLOVKLWTL-CZUORRHYSA-N -1 1 358.442 2.424 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCC1CCC(C(F)(F)F)CC1 ZINC000491187473 561443649 /nfs/dbraw/zinc/44/36/49/561443649.db2.gz SDQXVPQPLQKVHJ-UHFFFAOYSA-N -1 1 359.348 2.002 20 0 FEADMM CCC[C@@H](NC(=O)CCOc1ccc(CCC(C)=O)cc1)c1nn[n-]n1 ZINC000268237579 550037916 /nfs/dbraw/zinc/03/79/16/550037916.db2.gz UHHIKLPFIMPLRH-MRXNPFEDSA-N -1 1 359.430 2.148 20 0 FEADMM Cc1nnc([C@H]2CCCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)[nH]1 ZINC000268425786 550063558 /nfs/dbraw/zinc/06/35/58/550063558.db2.gz HJHSZGBKSLDMFB-LBPRGKRZSA-N -1 1 358.446 2.234 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)o1 ZINC000492288525 561450651 /nfs/dbraw/zinc/45/06/51/561450651.db2.gz HCAOYXOFVTVXRQ-UHFFFAOYSA-N -1 1 373.362 2.328 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000269564038 550206830 /nfs/dbraw/zinc/20/68/30/550206830.db2.gz OCBKUJGFEJLCLY-NOZJJQNGSA-N -1 1 351.403 2.204 20 0 FEADMM COC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000269689665 550217097 /nfs/dbraw/zinc/21/70/97/550217097.db2.gz GJDHQQWUTMXZHI-MRXNPFEDSA-N -1 1 356.426 2.026 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)CC1(O)CCCC1 ZINC000269852623 550230935 /nfs/dbraw/zinc/23/09/35/550230935.db2.gz BMDIECGCSMTZAG-UHFFFAOYSA-N -1 1 370.453 2.249 20 0 FEADMM CC[C@H](C)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000269867538 550232126 /nfs/dbraw/zinc/23/21/26/550232126.db2.gz WWNNEVZQCOFCJP-LBPRGKRZSA-N -1 1 358.460 2.176 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)c1 ZINC000270069279 550246740 /nfs/dbraw/zinc/24/67/40/550246740.db2.gz YVALCFJCOSTUOT-ZDUSSCGKSA-N -1 1 351.380 2.258 20 0 FEADMM C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271536505 550382922 /nfs/dbraw/zinc/38/29/22/550382922.db2.gz UWDIPRDAHANBJQ-DGCLKSJQSA-N -1 1 374.434 2.110 20 0 FEADMM Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000271818208 550403777 /nfs/dbraw/zinc/40/37/77/550403777.db2.gz CFPYOQTYOZZGCT-SNVBAGLBSA-N -1 1 354.332 2.303 20 0 FEADMM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[nH]1 ZINC000271890204 550409350 /nfs/dbraw/zinc/40/93/50/550409350.db2.gz XCNHMQNUADZIBQ-SCSAIBSYSA-N -1 1 370.303 2.102 20 0 FEADMM CC(C)(C)c1ncsc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272133344 550424758 /nfs/dbraw/zinc/42/47/58/550424758.db2.gz NANPIESTLJXEEM-UHFFFAOYSA-N -1 1 355.441 2.046 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccnc3Cl)CC2)n1 ZINC000277758491 550710791 /nfs/dbraw/zinc/71/07/91/550710791.db2.gz QEVPHPSVMCSMAN-UHFFFAOYSA-N -1 1 363.805 2.050 20 0 FEADMM Cc1cnc(C(=O)N2CCN(c3ncnc4sccc43)CC2)c([O-])c1 ZINC000494992538 561480574 /nfs/dbraw/zinc/48/05/74/561480574.db2.gz GRQXAPOQFGWJPZ-UHFFFAOYSA-N -1 1 355.423 2.063 20 0 FEADMM C[C@H](O)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000278862056 550830016 /nfs/dbraw/zinc/83/00/16/550830016.db2.gz XVCFRDNCEJNJPT-ZETCQYMHSA-N -1 1 358.204 2.167 20 0 FEADMM CC1(C)CCc2ccccc2[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000495451465 561488365 /nfs/dbraw/zinc/48/83/65/561488365.db2.gz HNIKSQZJHCTLOY-GOSISDBHSA-N -1 1 353.422 2.347 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCc1ccccc1F ZINC000279889597 550939989 /nfs/dbraw/zinc/93/99/89/550939989.db2.gz FACLIVJJMCOHRI-UHFFFAOYSA-N -1 1 356.401 2.070 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2C[C@@H](C)O)c(=O)[n-]1 ZINC000279940887 550945101 /nfs/dbraw/zinc/94/51/01/550945101.db2.gz XDINHMITEAUBBR-DGCLKSJQSA-N -1 1 353.488 2.297 20 0 FEADMM C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(Br)cc1[O-])CCO2 ZINC000280107357 550961562 /nfs/dbraw/zinc/96/15/62/550961562.db2.gz RLVXNYJHSXOLNM-ZUZCIYMTSA-N -1 1 356.216 2.175 20 0 FEADMM O=C(CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)NC1CC1 ZINC000280567569 551008457 /nfs/dbraw/zinc/00/84/57/551008457.db2.gz LCHGLVCBKUBMHU-UHFFFAOYSA-N -1 1 369.245 2.470 20 0 FEADMM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280570599 551008770 /nfs/dbraw/zinc/00/87/70/551008770.db2.gz LNRVRRFXXAQPCW-SSDOTTSWSA-N -1 1 353.206 2.091 20 0 FEADMM COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000280671005 551019629 /nfs/dbraw/zinc/01/96/29/551019629.db2.gz BKSBZJKFPBNLCK-AWEZNQCLSA-N -1 1 354.406 2.226 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1c(F)ccc([O-])c1F ZINC000280884021 551042154 /nfs/dbraw/zinc/04/21/54/551042154.db2.gz YZZDOQYVXFKWMI-UHFFFAOYSA-N -1 1 350.321 2.298 20 0 FEADMM CC1CCN(C(=O)C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000280883858 551042222 /nfs/dbraw/zinc/04/22/22/551042222.db2.gz YXODORJDWGGZIS-UHFFFAOYSA-N -1 1 358.438 2.072 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)N1CCCC1 ZINC000281545350 551111265 /nfs/dbraw/zinc/11/12/65/551111265.db2.gz 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CS[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2O)C[C@H]1[NH+]1CCCC1 ZINC000329601411 553975165 /nfs/dbraw/zinc/97/51/65/553975165.db2.gz KORUYPZSPOZVFE-HZPDHXFCSA-N -1 1 372.494 2.296 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cnc(C4CC4)nc3N)[nH][n-]2)c1 ZINC000507185805 561720492 /nfs/dbraw/zinc/72/04/92/561720492.db2.gz BZQHOUGJFKJCGG-UHFFFAOYSA-N -1 1 352.373 2.448 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000507621040 561735471 /nfs/dbraw/zinc/73/54/71/561735471.db2.gz MMZRVQPKOHCKCU-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)cc(S(C)(=O)=O)c1 ZINC000507636987 561736200 /nfs/dbraw/zinc/73/62/00/561736200.db2.gz PVVZTTXIUKZGSQ-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CC(=O)N[C@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(C)cc1 ZINC000507879356 561744333 /nfs/dbraw/zinc/74/43/33/561744333.db2.gz ROAZWKUHQXCHDV-HZPDHXFCSA-N -1 1 372.425 2.057 20 0 FEADMM CCC[C@H](C)N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000330506966 554131142 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COC(C)(C)CS(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000331334323 554247979 /nfs/dbraw/zinc/24/79/79/554247979.db2.gz IMQKRJINMTYHOF-UHFFFAOYSA-N -1 1 354.472 2.479 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)o1 ZINC000331374253 554253073 /nfs/dbraw/zinc/25/30/73/554253073.db2.gz CMEPDBLZWLTTKY-LLVKDONJSA-N -1 1 366.443 2.057 20 0 FEADMM CC(=O)N1CC[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1 ZINC000331647371 554301432 /nfs/dbraw/zinc/30/14/32/554301432.db2.gz QPULQCKDXUBGDM-AWEZNQCLSA-N -1 1 373.453 2.262 20 0 FEADMM O=C(COC(F)F)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000509246306 561792104 /nfs/dbraw/zinc/79/21/04/561792104.db2.gz JJDPDMLPYRRRMO-UHFFFAOYSA-N -1 1 370.377 2.343 20 0 FEADMM CN(C)c1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)nc2ccccc21 ZINC000509280454 561793420 /nfs/dbraw/zinc/79/34/20/561793420.db2.gz UXKRYUYOWFNBHB-UHFFFAOYSA-N -1 1 367.409 2.409 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc(Cl)c1[O-] ZINC000331857211 554331988 /nfs/dbraw/zinc/33/19/88/554331988.db2.gz FIKGYIWDKSOLJM-YUTCNCBUSA-N -1 1 355.818 2.056 20 0 FEADMM C[C@@H](Cc1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1)C(=O)[O-] ZINC000509378080 561796957 /nfs/dbraw/zinc/79/69/57/561796957.db2.gz JJCMELNTSMVULL-NSHDSACASA-N -1 1 363.391 2.479 20 0 FEADMM COC1([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000331963912 554353556 /nfs/dbraw/zinc/35/35/56/554353556.db2.gz KRIRLQZDFWTIRK-LLVKDONJSA-N -1 1 358.460 2.044 20 0 FEADMM CO[C@@H](C)c1nc(=NCC2(CN3CCOCC3)CCCCC2)s[n-]1 ZINC000509537377 561804328 /nfs/dbraw/zinc/80/43/28/561804328.db2.gz BTKQPAMTPBPEPU-AWEZNQCLSA-N -1 1 354.520 2.362 20 0 FEADMM COc1ccc(C)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509628299 561807935 /nfs/dbraw/zinc/80/79/35/561807935.db2.gz IJJRLSSLXBJANN-UHFFFAOYSA-N -1 1 369.370 2.407 20 0 FEADMM CO[C@@H](C)c1nc(=NC[C@H](C)N2CCN(c3ccccc3)CC2)s[n-]1 ZINC000509700122 561810869 /nfs/dbraw/zinc/81/08/69/561810869.db2.gz QLVAVQZNWWNLJU-GJZGRUSLSA-N -1 1 361.515 2.290 20 0 FEADMM CO[C@@H](C)c1nsc(=NC[C@H](C)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000509700122 561810870 /nfs/dbraw/zinc/81/08/70/561810870.db2.gz QLVAVQZNWWNLJU-GJZGRUSLSA-N -1 1 361.515 2.290 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C(F)F)c1cc(Cl)ccc1C(F)(F)F ZINC000509784924 561813844 /nfs/dbraw/zinc/81/38/44/561813844.db2.gz BAMTWYOSELBMIT-ZETCQYMHSA-N -1 1 353.696 2.263 20 0 FEADMM CC[C@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)C1CCC(C)CC1 ZINC000332425794 554444419 /nfs/dbraw/zinc/44/44/19/554444419.db2.gz XWUDRNNPGKCMMO-RUXDESIVSA-N -1 1 351.520 2.621 20 0 FEADMM CCOC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509962103 561819895 /nfs/dbraw/zinc/81/98/95/561819895.db2.gz WQYZGJZEZOOWLE-QMMMGPOBSA-N -1 1 370.254 2.483 20 0 FEADMM CCN(C(=O)CNC(=O)c1ncccc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000509963045 561819941 /nfs/dbraw/zinc/81/99/41/561819941.db2.gz ITVQNVXZPOLDLB-ZDUSSCGKSA-N -1 1 357.410 2.135 20 0 FEADMM CN(C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1)S(C)(=O)=O ZINC000332514360 554459746 /nfs/dbraw/zinc/45/97/46/554459746.db2.gz JJPSMULDZPFMFH-UHFFFAOYSA-N -1 1 362.451 2.041 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@@H](C)OC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510557553 561838809 /nfs/dbraw/zinc/83/88/09/561838809.db2.gz FUWMIASARQFDIF-IAQYHMDHSA-N -1 1 363.863 2.073 20 0 FEADMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(Br)cn1 ZINC000510560024 561838972 /nfs/dbraw/zinc/83/89/72/561838972.db2.gz QBPIANOGGONLNC-UHFFFAOYSA-N -1 1 359.167 2.465 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000333057349 554565866 /nfs/dbraw/zinc/56/58/66/554565866.db2.gz HTNRUUZCLMIRJF-CYBMUJFWSA-N -1 1 361.427 2.357 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1sccc1Cl ZINC000333657774 554631236 /nfs/dbraw/zinc/63/12/36/554631236.db2.gz GGJLXSOHQUDCGO-ZYHUDNBSSA-N -1 1 365.904 2.248 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000334091242 554677023 /nfs/dbraw/zinc/67/70/23/554677023.db2.gz GEVMMOLUDICWRD-JQWIXIFHSA-N -1 1 354.834 2.431 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000511204323 561861260 /nfs/dbraw/zinc/86/12/60/561861260.db2.gz KFBHALBCNYWZBI-LSDHHAIUSA-N -1 1 373.453 2.048 20 0 FEADMM Cc1ccnc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)n1 ZINC000350547683 554797142 /nfs/dbraw/zinc/79/71/42/554797142.db2.gz DZEBMSDBNKAMPG-UHFFFAOYSA-N -1 1 363.399 2.172 20 0 FEADMM C[C@]1(c2cccc(-c3noc(-c4cc(F)ccc4[O-])n3)c2)NC(=O)NC1=O ZINC000350564351 554798043 /nfs/dbraw/zinc/79/80/43/554798043.db2.gz FJQRMWBVSUNLFT-GOSISDBHSA-N -1 1 368.324 2.303 20 0 FEADMM CNC(=O)COc1cccc(Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350809552 554815332 /nfs/dbraw/zinc/81/53/32/554815332.db2.gz AGHZPLPSLDSLNE-UHFFFAOYSA-N -1 1 357.341 2.297 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000350820069 554816161 /nfs/dbraw/zinc/81/61/61/554816161.db2.gz UDGGNBXIYZSAJL-UHFFFAOYSA-N -1 1 353.331 2.092 20 0 FEADMM CS(=O)(=O)Nc1cncc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350843193 554817532 /nfs/dbraw/zinc/81/75/32/554817532.db2.gz QNHZTBGFBTXENZ-UHFFFAOYSA-N -1 1 350.331 2.015 20 0 FEADMM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000361330700 554916667 /nfs/dbraw/zinc/91/66/67/554916667.db2.gz IEYGAFVZVBCQGC-MAUKXSAKSA-N -1 1 364.417 2.181 20 0 FEADMM C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000363352166 555083942 /nfs/dbraw/zinc/08/39/42/555083942.db2.gz MDLMMFOQCFTOJZ-LAUBAEHRSA-N -1 1 368.433 2.133 20 0 FEADMM Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000511999509 561888571 /nfs/dbraw/zinc/88/85/71/561888571.db2.gz AVHPDGWSAFUOEC-UHFFFAOYSA-N -1 1 372.384 2.469 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c([O-])c1 ZINC000363894143 555208688 /nfs/dbraw/zinc/20/86/88/555208688.db2.gz BPAZRQZPRHTMRJ-VMGRFDJRSA-N -1 1 371.393 2.238 20 0 FEADMM Cc1cccnc1-c1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000363953022 555220693 /nfs/dbraw/zinc/22/06/93/555220693.db2.gz JZHBOIHSURZLDX-UHFFFAOYSA-N -1 1 360.377 2.485 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc2)n[nH]1 ZINC000364050939 555240712 /nfs/dbraw/zinc/24/07/12/555240712.db2.gz FKEXPHISYHYLBO-CQSZACIVSA-N -1 1 364.377 2.459 20 0 FEADMM Cc1nnc([C@H]([N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc2)[nH]1 ZINC000364050939 555240713 /nfs/dbraw/zinc/24/07/13/555240713.db2.gz FKEXPHISYHYLBO-CQSZACIVSA-N -1 1 364.377 2.459 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000364120911 555253744 /nfs/dbraw/zinc/25/37/44/555253744.db2.gz JRNLHVPUONTMTE-ZDUSSCGKSA-N -1 1 370.446 2.128 20 0 FEADMM CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364627556 555356967 /nfs/dbraw/zinc/35/69/67/555356967.db2.gz FYPPZJHJEAFLJW-WMLDXEAASA-N -1 1 356.422 2.037 20 0 FEADMM C[C@@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000364647589 555362230 /nfs/dbraw/zinc/36/22/30/555362230.db2.gz SGQRJGIVYZCUDR-GXFFZTMASA-N -1 1 369.347 2.312 20 0 FEADMM CN(C(=O)c1cnc2n(C)[n-]cc-2c1=O)c1nnc(-c2ccccc2)s1 ZINC000364692443 555376187 /nfs/dbraw/zinc/37/61/87/555376187.db2.gz CRSIOVSDLBZXNC-UHFFFAOYSA-N -1 1 366.406 2.469 20 0 FEADMM COC[C@H]1CCCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000364866265 555419487 /nfs/dbraw/zinc/41/94/87/555419487.db2.gz WPSWAOMYDAWXHQ-HNNXBMFYSA-N -1 1 370.453 2.370 20 0 FEADMM COC1(CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)CCC1 ZINC000365082028 555480633 /nfs/dbraw/zinc/48/06/33/555480633.db2.gz BZTJFPSTBDULAQ-CYBMUJFWSA-N -1 1 353.785 2.157 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCC3(F)CCC3)CC2)n1 ZINC000512873421 561918692 /nfs/dbraw/zinc/91/86/92/561918692.db2.gz ZQTFAJIWOHFUJC-UHFFFAOYSA-N -1 1 367.425 2.153 20 0 FEADMM O=S(=O)([N-][C@H]1CC[C@H](O)CC1)c1cc(Br)c(F)cc1F ZINC000513059363 561923762 /nfs/dbraw/zinc/92/37/62/561923762.db2.gz SCSKKXVLLQRLPI-ZKCHVHJHSA-N -1 1 370.215 2.309 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000365526742 555599501 /nfs/dbraw/zinc/59/95/01/555599501.db2.gz WLOZNSRJAGAIKO-ZIAGYGMSSA-N -1 1 366.414 2.393 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCCC12CCCC2 ZINC000365536511 555602220 /nfs/dbraw/zinc/60/22/20/555602220.db2.gz KAWLSZLHMUREHT-UHFFFAOYSA-N -1 1 374.485 2.195 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@H]2C2CC2)cc1[N-]S(C)(=O)=O ZINC000365802241 555670263 /nfs/dbraw/zinc/67/02/63/555670263.db2.gz BFBKELNJYIHBAW-AWEZNQCLSA-N -1 1 353.444 2.473 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cncc([O-])c2)C1=O ZINC000513477452 561939782 /nfs/dbraw/zinc/93/97/82/561939782.db2.gz SFQVXJCPDDERDX-SJCJKPOMSA-N -1 1 357.385 2.408 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccnc(F)c1F ZINC000366228876 555787149 /nfs/dbraw/zinc/78/71/49/555787149.db2.gz IDKBMVAOLUFZGW-LLVKDONJSA-N -1 1 368.706 2.185 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)co1)Oc1ccccc1F ZINC000513845073 561952353 /nfs/dbraw/zinc/95/23/53/561952353.db2.gz LBDYSHQRXNRYKQ-GFCCVEGCSA-N -1 1 371.386 2.341 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CO)CC2CCCC2)c(=O)[n-]1 ZINC000513921811 561954730 /nfs/dbraw/zinc/95/47/30/561954730.db2.gz IFQWAKDPQFNAPK-ZDUSSCGKSA-N -1 1 353.488 2.203 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000366548190 555873792 /nfs/dbraw/zinc/87/37/92/555873792.db2.gz RTBTYZZHFHKLQD-BONVTDFDSA-N -1 1 356.216 2.175 20 0 FEADMM O=C(Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1)c1csc(=NC2CC2)[n-]1 ZINC000620124039 555896801 /nfs/dbraw/zinc/89/68/01/555896801.db2.gz ZYKNWWURRMGOOF-LBPRGKRZSA-N -1 1 371.422 2.240 20 0 FEADMM COc1ccc(-c2ocnc2C(=O)[N-]c2ncn(-c3cccnc3)n2)cc1 ZINC000367361444 556028057 /nfs/dbraw/zinc/02/80/57/556028057.db2.gz PBEYNDNJKTWYCB-UHFFFAOYSA-N -1 1 362.349 2.578 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000367392119 556036418 /nfs/dbraw/zinc/03/64/18/556036418.db2.gz MDJLSCSLOFFNBN-RCZQDCHWSA-N -1 1 369.387 2.489 20 0 FEADMM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000367441826 556049480 /nfs/dbraw/zinc/04/94/80/556049480.db2.gz AKZWUTOMESYBFH-OLZOCXBDSA-N -1 1 366.389 2.041 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000368037113 556200937 /nfs/dbraw/zinc/20/09/37/556200937.db2.gz LSVQUNCOXAMRFB-AWEZNQCLSA-N -1 1 374.387 2.491 20 0 FEADMM O=C(CSC(F)(F)F)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368502679 556328466 /nfs/dbraw/zinc/32/84/66/556328466.db2.gz NIOYSPVHSNKLDR-SECBINFHSA-N -1 1 369.731 2.451 20 0 FEADMM CCCCO[C@H](C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368505214 556328915 /nfs/dbraw/zinc/32/89/15/556328915.db2.gz XYBMIUZZHDIQES-RNCFNFMXSA-N -1 1 355.801 2.403 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1[nH]nc2ccccc21 ZINC000368504429 556329535 /nfs/dbraw/zinc/32/95/35/556329535.db2.gz VBHJTRQPJVPRBH-CYBMUJFWSA-N -1 1 371.763 2.388 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)OC ZINC000515417922 562010123 /nfs/dbraw/zinc/01/01/23/562010123.db2.gz GIDQEEYFXQAEFA-LBPRGKRZSA-N -1 1 373.324 2.344 20 0 FEADMM Cc1nc(C(=O)[N-]c2nn3cnnc3s2)nn1-c1ccccc1C(C)C ZINC000624030596 556526116 /nfs/dbraw/zinc/52/61/16/556526116.db2.gz OSZLIEXMWBLMEN-UHFFFAOYSA-N -1 1 368.426 2.451 20 0 FEADMM COc1cc(C(=O)Nc2cccc(C(=O)NC(N)=O)c2)cc(Cl)c1[O-] ZINC000516018232 562028224 /nfs/dbraw/zinc/02/82/24/562028224.db2.gz DDGUVXTUEIJNKJ-UHFFFAOYSA-N -1 1 363.757 2.115 20 0 FEADMM CCN(C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1)S(C)(=O)=O ZINC000516076590 562029831 /nfs/dbraw/zinc/02/98/31/562029831.db2.gz TXFZOOFMWLRUMS-UHFFFAOYSA-N -1 1 360.501 2.001 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3c(F)c(F)cc(F)c3F)ccnc1-2 ZINC000806488645 674378766 /nfs/dbraw/zinc/37/87/66/674378766.db2.gz QFQGHXWZMPKFKI-UHFFFAOYSA-N -1 1 353.279 2.220 20 0 FEADMM COc1ccc(NC(=O)c2cncnc2C(C)C)cc1[N-]S(C)(=O)=O ZINC000516435403 562042707 /nfs/dbraw/zinc/04/27/07/562042707.db2.gz ZHBWFWFZSJICNG-UHFFFAOYSA-N -1 1 364.427 2.232 20 0 FEADMM COc1ccc(NC(=O)c2c[nH]c3ncccc23)cc1[N-]S(C)(=O)=O ZINC000516576987 562049128 /nfs/dbraw/zinc/04/91/28/562049128.db2.gz OSGUTHQSGJSSRR-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM CC[C@H](C)[C@H](O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370595563 556917352 /nfs/dbraw/zinc/91/73/52/556917352.db2.gz WZEDMEFVADYGTO-BLLLJJGKSA-N -1 1 358.442 2.008 20 0 FEADMM C[C@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(C(F)(F)F)cc1 ZINC000370893687 557005707 /nfs/dbraw/zinc/00/57/07/557005707.db2.gz WKPWLEVEXPYSCZ-MFKMUULPSA-N -1 1 369.347 2.312 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000371068433 557064854 /nfs/dbraw/zinc/06/48/54/557064854.db2.gz GVUUYMQIZFKORV-KYNGSXCRSA-N -1 1 372.469 2.304 20 0 FEADMM C[C@H](CO)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000371196661 557104486 /nfs/dbraw/zinc/10/44/86/557104486.db2.gz UEUBTHGQCWBHHF-QWQRMKEZSA-N -1 1 370.449 2.283 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3n[nH]cc3Br)cnc2n1 ZINC000517607560 562093594 /nfs/dbraw/zinc/09/35/94/562093594.db2.gz RIDMPKNTAAUMTF-UHFFFAOYSA-N -1 1 362.187 2.059 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3n[nH]cc3Br)c[n-]c2n1 ZINC000517607560 562093595 /nfs/dbraw/zinc/09/35/95/562093595.db2.gz RIDMPKNTAAUMTF-UHFFFAOYSA-N -1 1 362.187 2.059 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2)n[nH]1 ZINC000371536900 557214069 /nfs/dbraw/zinc/21/40/69/557214069.db2.gz GRCUFBJIEZUATB-UHFFFAOYSA-N -1 1 358.379 2.310 20 0 FEADMM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C2 ZINC000371539841 557214898 /nfs/dbraw/zinc/21/48/98/557214898.db2.gz RYLQAWMYDHXTBB-SECBINFHSA-N -1 1 361.254 2.187 20 0 FEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000517942694 562101315 /nfs/dbraw/zinc/10/13/15/562101315.db2.gz CLOOFBKRGZRSMH-RTBURBONSA-N -1 1 352.434 2.293 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000371722184 557274836 /nfs/dbraw/zinc/27/48/36/557274836.db2.gz DFOSPLJQAJRGER-ZFWWWQNUSA-N -1 1 370.453 2.004 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc([S@](C)=O)c1 ZINC000518406620 562110860 /nfs/dbraw/zinc/11/08/60/562110860.db2.gz PKNWPTXUYPGETI-QHCPKHFHSA-N -1 1 366.464 2.438 20 0 FEADMM O=C(NC[C@H](O)C1CCOCC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000519187144 562126885 /nfs/dbraw/zinc/12/68/85/562126885.db2.gz OKFIYWOSTCNLPD-AWEZNQCLSA-N -1 1 350.802 2.111 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)[nH]n2)cc1C ZINC000372506904 557488429 /nfs/dbraw/zinc/48/84/29/557488429.db2.gz XYUQWTZZLCBVNS-CQSZACIVSA-N -1 1 351.414 2.226 20 0 FEADMM CN1CCC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)C1=O ZINC000372547537 557500253 /nfs/dbraw/zinc/50/02/53/557500253.db2.gz NYPLEPZXJRWPPW-INIZCTEOSA-N -1 1 356.344 2.496 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCc3nc(C)sc32)c1 ZINC000373112032 557630673 /nfs/dbraw/zinc/63/06/73/557630673.db2.gz JGTSKPBNHWGOJK-LLVKDONJSA-N -1 1 356.425 2.187 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@@H]1Cn1ccnn1 ZINC000373308684 557669910 /nfs/dbraw/zinc/66/99/10/557669910.db2.gz BKBGULHSHDLGNA-GFCCVEGCSA-N -1 1 365.231 2.441 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000520291071 562152786 /nfs/dbraw/zinc/15/27/86/562152786.db2.gz OFGHXBYNQYFKIZ-HNNXBMFYSA-N -1 1 357.382 2.272 20 0 FEADMM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1 ZINC000520294238 562152937 /nfs/dbraw/zinc/15/29/37/562152937.db2.gz YUDMNULLGNIWDU-LYSGOOTNSA-N -1 1 357.801 2.198 20 0 FEADMM Cn1cc(C(=O)CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000373511101 557708231 /nfs/dbraw/zinc/70/82/31/557708231.db2.gz WJOIKJGUBNHQGB-UHFFFAOYSA-N -1 1 369.421 2.210 20 0 FEADMM Cc1ccc(-c2cnccn2)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000373523442 557710701 /nfs/dbraw/zinc/71/07/01/557710701.db2.gz UXRBOHUEKBZMHF-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCOC[C@H]1C1CCC1 ZINC000520410998 562155888 /nfs/dbraw/zinc/15/58/88/562155888.db2.gz MTSIJFHJZNJFPQ-KRWDZBQOSA-N -1 1 368.437 2.123 20 0 FEADMM COC(=O)[C@]12CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C[C@H]1COCC2 ZINC000373711569 557743103 /nfs/dbraw/zinc/74/31/03/557743103.db2.gz MARBWHBPGPZHIO-MEDUHNTESA-N -1 1 373.327 2.063 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1c(F)ccc([O-])c1F ZINC000373825313 557767610 /nfs/dbraw/zinc/76/76/10/557767610.db2.gz JLCCXJDRXLWUIP-LLVKDONJSA-N -1 1 350.296 2.345 20 0 FEADMM CCc1cc(N2CCC(N=c3[n-]c(C(F)(F)F)ns3)CC2)ncn1 ZINC000373849756 557772781 /nfs/dbraw/zinc/77/27/81/557772781.db2.gz ILWFDUBFBWYFRE-UHFFFAOYSA-N -1 1 358.393 2.412 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000374048014 557813820 /nfs/dbraw/zinc/81/38/20/557813820.db2.gz BSTMKIZVFDBDHP-BHTHQVBYSA-N -1 1 358.442 2.076 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000374133933 557829259 /nfs/dbraw/zinc/82/92/59/557829259.db2.gz RRTRYZSGFVOMRR-QGZVFWFLSA-N -1 1 366.421 2.194 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(C(=O)NC4CC4)CC3)nc2)[n-]c(=O)c1C ZINC000374167785 557835964 /nfs/dbraw/zinc/83/59/64/557835964.db2.gz MBMWQGDZUDWXNL-UHFFFAOYSA-N -1 1 367.453 2.356 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)nc2)[n-]c(=O)c1C ZINC000374167790 557835975 /nfs/dbraw/zinc/83/59/75/557835975.db2.gz MDFICDGHXWGUJM-KMUNFCNLSA-N -1 1 353.426 2.282 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCN[C@H](c2cccnc2)C1 ZINC000374362542 557872075 /nfs/dbraw/zinc/87/20/75/557872075.db2.gz FSEBTXDIESBGKR-AWEZNQCLSA-N -1 1 362.227 2.336 20 0 FEADMM O=C(NCCc1ccccc1N1CCOCC1)c1c(F)ccc([O-])c1F ZINC000521055797 562168654 /nfs/dbraw/zinc/16/86/54/562168654.db2.gz CXALKEKFJVKVHO-UHFFFAOYSA-N -1 1 362.376 2.480 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C)c1 ZINC000374473244 557888512 /nfs/dbraw/zinc/88/85/12/557888512.db2.gz VNZXCIVPRXLQGF-LNSITVRQSA-N -1 1 360.410 2.154 20 0 FEADMM COC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C2 ZINC000374650378 557912140 /nfs/dbraw/zinc/91/21/40/557912140.db2.gz XKQKIPMMXIUOBJ-HXPMCKFVSA-N -1 1 361.442 2.203 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccc3c2OCCC3=O)c1 ZINC000374838345 557938732 /nfs/dbraw/zinc/93/87/32/557938732.db2.gz LCICCHPJFLPBNW-UHFFFAOYSA-N -1 1 365.338 2.290 20 0 FEADMM Cc1nc(CO[C@H]2CCN(CC(=O)[N-]OCc3ccccc3)C2)cs1 ZINC000374933026 557953325 /nfs/dbraw/zinc/95/33/25/557953325.db2.gz UIIVAKVMGDDJDH-KRWDZBQOSA-N -1 1 361.467 2.290 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000521319311 562174126 /nfs/dbraw/zinc/17/41/26/562174126.db2.gz OBWFNNQJNAOEJP-UHFFFAOYSA-N -1 1 366.406 2.454 20 0 FEADMM CO[C@H](C)c1nc(=NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)s[n-]1 ZINC000375697533 558069223 /nfs/dbraw/zinc/06/92/23/558069223.db2.gz NUWQBGWUTNKYBF-UKRRQHHQSA-N -1 1 360.483 2.171 20 0 FEADMM CO[C@@H](C)c1nc(=NC[C@@H]2CN(Cc3ccccc3)CCCO2)s[n-]1 ZINC000375963907 558106217 /nfs/dbraw/zinc/10/62/17/558106217.db2.gz VDFRCUOXFZMMPF-GOEBONIOSA-N -1 1 362.499 2.370 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)ccnc1-2 ZINC000376631171 558200147 /nfs/dbraw/zinc/20/01/47/558200147.db2.gz UMDWWKZYUQHVFR-YFFDSABZSA-N -1 1 351.410 2.241 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CCO[C@]4(CCc5ccccc54)C3)ccnc1-2 ZINC000376639996 558201596 /nfs/dbraw/zinc/20/15/96/558201596.db2.gz GWTKAOJUSYFIHG-YYTOJMEDSA-N -1 1 363.421 2.048 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@H]3CCN(C)c4ccccc43)ccnc1-2 ZINC000376701123 558210821 /nfs/dbraw/zinc/21/08/21/558210821.db2.gz PXQONKCQZYBZPB-OETDOYICSA-N -1 1 350.426 2.087 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000377124934 558271449 /nfs/dbraw/zinc/27/14/49/558271449.db2.gz ZSYLXDHNEQHCDW-STQMWFEESA-N -1 1 370.380 2.180 20 0 FEADMM O=C(N=c1[n-]nc(Cc2ccccc2F)s1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000377745163 558410186 /nfs/dbraw/zinc/41/01/86/558410186.db2.gz AWFYVTSXHUHVED-LLVKDONJSA-N -1 1 372.429 2.670 20 0 FEADMM COc1ccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1 ZINC000377839018 558432512 /nfs/dbraw/zinc/43/25/12/558432512.db2.gz FKOLKXOSBSILFY-QMTHXVAHSA-N -1 1 351.428 2.346 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000522742311 562203126 /nfs/dbraw/zinc/20/31/26/562203126.db2.gz LGVBTJNACVEEJD-UHFFFAOYSA-N -1 1 364.408 2.341 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000377855595 558435828 /nfs/dbraw/zinc/43/58/28/558435828.db2.gz KZPCIGJHOLSXNO-UHFFFAOYSA-N -1 1 357.382 2.412 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@]3(C1)CCc1ccccc1O3)c2=O ZINC000377977583 558456441 /nfs/dbraw/zinc/45/64/41/558456441.db2.gz VQJRDSIEQNJPLX-FQEVSTJZSA-N -1 1 364.405 2.284 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])CC1(C)C ZINC000377989273 558458572 /nfs/dbraw/zinc/45/85/72/558458572.db2.gz KDDFOGGPKQTDJG-LLVKDONJSA-N -1 1 356.216 2.426 20 0 FEADMM O=C(NCC1(O)Cc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000523424865 562212798 /nfs/dbraw/zinc/21/27/98/562212798.db2.gz SBZOWDZJZSTGOA-UHFFFAOYSA-N -1 1 362.223 2.414 20 0 FEADMM O=S(=O)([N-][C@@H]1c2ccccc2C[C@H]1O)c1c(Cl)ccnc1Cl ZINC000378471726 558565078 /nfs/dbraw/zinc/56/50/78/558565078.db2.gz FSNQVVVWBNBMFW-VXGBXAGGSA-N -1 1 359.234 2.325 20 0 FEADMM O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000378522527 558574583 /nfs/dbraw/zinc/57/45/83/558574583.db2.gz SLEQNTPXKJKIPB-OAHLLOKOSA-N -1 1 356.422 2.476 20 0 FEADMM C[C@H](CCCO)CNC(=O)c1ccc(I)c([O-])c1 ZINC000384365301 558605699 /nfs/dbraw/zinc/60/56/99/558605699.db2.gz GTLHFJOCEVQDON-SECBINFHSA-N -1 1 363.195 2.135 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(-n4ccnc4)c3)cc2N1 ZINC000523883214 562221156 /nfs/dbraw/zinc/22/11/56/562221156.db2.gz KEEDOOSXSGXHQZ-UHFFFAOYSA-N -1 1 370.390 2.004 20 0 FEADMM C[C@@H]1CSC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000397912757 558625745 /nfs/dbraw/zinc/62/57/45/558625745.db2.gz CBXSWXOASFRENJ-GMSGAONNSA-N -1 1 363.220 2.478 20 0 FEADMM CC[C@@H](O)CCCNC(=O)c1cc(I)ccc1[O-] ZINC000398551924 558626694 /nfs/dbraw/zinc/62/66/94/558626694.db2.gz OETJSABVLOJAAW-SNVBAGLBSA-N -1 1 363.195 2.278 20 0 FEADMM C[C@@H]1C[C@H](CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CC(C)(C)C1 ZINC000408260247 558661787 /nfs/dbraw/zinc/66/17/87/558661787.db2.gz DSRBFHCNYYPFTO-CHWSQXEVSA-N -1 1 351.520 2.621 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1sc(-c2ccccc2C)nc1C ZINC000410282818 558749740 /nfs/dbraw/zinc/74/97/40/558749740.db2.gz CZAAHHRDNWSXRM-UHFFFAOYSA-N -1 1 369.450 3.070 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1OC ZINC000410360929 558753172 /nfs/dbraw/zinc/75/31/72/558753172.db2.gz SVSMRMHIDXYGFE-UHFFFAOYSA-N -1 1 370.814 2.257 20 0 FEADMM CC(C)c1nn(C)c2sc(C(=O)NC3(c4nn[n-]n4)CCCC3)cc12 ZINC000525197365 562242631 /nfs/dbraw/zinc/24/26/31/562242631.db2.gz BQEHDESMTAJGOQ-UHFFFAOYSA-N -1 1 359.459 2.471 20 0 FEADMM CC(C)(C)[C@@H]1CCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000525209809 562242974 /nfs/dbraw/zinc/24/29/74/562242974.db2.gz WCGRRSAYLWZNOW-INIZCTEOSA-N -1 1 355.438 2.295 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2ccco2)ccc1[N-]S(C)(=O)=O ZINC000525416119 562247862 /nfs/dbraw/zinc/24/78/62/562247862.db2.gz GQZCXGCCVYIRFW-UHFFFAOYSA-N -1 1 353.400 2.324 20 0 FEADMM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1 ZINC000525944076 562260585 /nfs/dbraw/zinc/26/05/85/562260585.db2.gz AEXXBIPJBPMEKH-UHFFFAOYSA-N -1 1 371.828 2.265 20 0 FEADMM C[C@H](NC(=O)C1CCCC1)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000412193015 559019283 /nfs/dbraw/zinc/01/92/83/559019283.db2.gz MZNLPDTYVGXUAX-JTQLQIEISA-N -1 1 362.380 2.988 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ncccc2NC(C)=O)c(=O)[n-]1 ZINC000526042536 562264938 /nfs/dbraw/zinc/26/49/38/562264938.db2.gz YTMHDKZLOPJKQK-UHFFFAOYSA-N -1 1 361.427 2.137 20 0 FEADMM CC[C@@](CNC(=O)C(=O)c1ccc([O-])cc1)(C(=O)OC)c1ccccc1 ZINC000412969414 559068147 /nfs/dbraw/zinc/06/81/47/559068147.db2.gz JMNOFEPPODWZJI-FQEVSTJZSA-N -1 1 355.390 2.212 20 0 FEADMM CCOc1cccc2[nH]cc(CC(=O)NC3(c4nn[n-]n4)CCCC3)c21 ZINC000526116561 562267403 /nfs/dbraw/zinc/26/74/03/562267403.db2.gz APWZLZGYWMGPJU-UHFFFAOYSA-N -1 1 354.414 2.208 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000413779566 559129930 /nfs/dbraw/zinc/12/99/30/559129930.db2.gz UPLMXHPJIZMBJE-TUAOUCFPSA-N -1 1 371.459 2.002 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)nc3c2CCCC3)o1 ZINC000414475852 559167537 /nfs/dbraw/zinc/16/75/37/559167537.db2.gz YQTSVLVIXWXYCM-UHFFFAOYSA-N -1 1 364.423 2.261 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2cc(O)cc(C(F)(F)F)c2)C1=O ZINC000414668814 559178675 /nfs/dbraw/zinc/17/86/75/559178675.db2.gz XQKSLCFKEIBGAS-UONOGXRCSA-N -1 1 374.359 2.211 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)CC(C)C ZINC000416050111 559290951 /nfs/dbraw/zinc/29/09/51/559290951.db2.gz ZCFOYRYRJAUTFM-GFCCVEGCSA-N -1 1 360.476 2.147 20 0 FEADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)c1ncc(C(=O)OC)s1 ZINC000416161466 559295410 /nfs/dbraw/zinc/29/54/10/559295410.db2.gz MTPVFOVCYVWGRR-UHFFFAOYSA-N -1 1 352.441 2.627 20 0 FEADMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416167745 559295978 /nfs/dbraw/zinc/29/59/78/559295978.db2.gz UITWVHTZKPSDNO-LLVKDONJSA-N -1 1 351.790 2.301 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000416186770 559297114 /nfs/dbraw/zinc/29/71/14/559297114.db2.gz CSKOLAPOJGJUAP-PELKAZGASA-N -1 1 367.789 2.056 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000416189000 559297342 /nfs/dbraw/zinc/29/73/42/559297342.db2.gz ITSJBIDCPXKBSA-SSDOTTSWSA-N -1 1 373.287 2.286 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CO)CC1CCCCC1 ZINC000416335785 559306357 /nfs/dbraw/zinc/30/63/57/559306357.db2.gz WBRPYAWLYQKZSS-MRXNPFEDSA-N -1 1 374.485 2.432 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3F)cn21 ZINC000416406536 559310435 /nfs/dbraw/zinc/31/04/35/559310435.db2.gz FXNFKTQXFUUGRL-SECBINFHSA-N -1 1 353.375 2.419 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)c1ccco1 ZINC000416412023 559311174 /nfs/dbraw/zinc/31/11/74/559311174.db2.gz BHDAVFDYCDJZCD-CYBMUJFWSA-N -1 1 363.395 2.359 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2nc3c(s2)CCC3)o1 ZINC000416534403 559320341 /nfs/dbraw/zinc/32/03/41/559320341.db2.gz HSRAQSHKQOTEEK-QMMMGPOBSA-N -1 1 356.425 2.051 20 0 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FEADMM CCN(CCOc1ccccc1C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000421959474 559558303 /nfs/dbraw/zinc/55/83/03/559558303.db2.gz CYHLSOYTRCSZKE-UHFFFAOYSA-N -1 1 366.439 2.037 20 0 FEADMM CC[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000422125211 559566705 /nfs/dbraw/zinc/56/67/05/559566705.db2.gz WAVVZWHSQGDYTA-YOEHRIQHSA-N -1 1 356.422 2.037 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)C1 ZINC000422546368 559594146 /nfs/dbraw/zinc/59/41/46/559594146.db2.gz ZPMUOYIRBXPIIB-UVWXRNBGSA-N -1 1 369.259 2.192 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)CCOCC2CC2)c(F)cc1C ZINC000424208719 559657737 /nfs/dbraw/zinc/65/77/37/559657737.db2.gz KMDXFSWQOOASOB-UHFFFAOYSA-N -1 1 359.419 2.479 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])n[nH]2)cc1OC ZINC000424267552 559660187 /nfs/dbraw/zinc/66/01/87/559660187.db2.gz VHIFHJNLWRFXMR-APPDUMDISA-N -1 1 373.409 2.419 20 0 FEADMM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1OC ZINC000424617624 559671255 /nfs/dbraw/zinc/67/12/55/559671255.db2.gz IJUUDPYJHGQINV-AWEZNQCLSA-N -1 1 353.806 2.396 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCC[C@H](F)C1 ZINC000424767671 559676148 /nfs/dbraw/zinc/67/61/48/559676148.db2.gz RDOAQDDGICZPDP-QWRGUYRKSA-N -1 1 356.419 2.300 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)c(F)c1 ZINC000425157809 559688915 /nfs/dbraw/zinc/68/89/15/559688915.db2.gz OWYRETJMYZZWOF-GFCCVEGCSA-N -1 1 368.409 2.011 20 0 FEADMM COc1cc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1Cl ZINC000425310475 559696033 /nfs/dbraw/zinc/69/60/33/559696033.db2.gz XGATUWANWJALNS-LLVKDONJSA-N -1 1 351.790 2.386 20 0 FEADMM Cc1nc([C@H]2CCCO2)sc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425320836 559696499 /nfs/dbraw/zinc/69/64/99/559696499.db2.gz LOUCGGMTCYQYFB-LLVKDONJSA-N -1 1 364.427 2.411 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c1 ZINC000427326939 559753405 /nfs/dbraw/zinc/75/34/05/559753405.db2.gz BEMDVOJMGRRLQT-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)oc1C ZINC000427339938 559753764 /nfs/dbraw/zinc/75/37/64/559753764.db2.gz XNQKGLGYRDWHTA-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccccc3Cn3cncn3)[nH]c2c1 ZINC000427637609 559759384 /nfs/dbraw/zinc/75/93/84/559759384.db2.gz QJSLRMTUCGLRAV-UHFFFAOYSA-N -1 1 368.422 2.312 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)c1 ZINC000427637243 559759441 /nfs/dbraw/zinc/75/94/41/559759441.db2.gz FVAZCOMVPFTFAA-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM O=C(N[C@@H](CCO)c1ccccc1Br)c1ncccc1[O-] ZINC000427895746 559764852 /nfs/dbraw/zinc/76/48/52/559764852.db2.gz LZGTWLMDEQWCRE-LBPRGKRZSA-N -1 1 351.200 2.403 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Cl)ccc1Br ZINC000429907415 559808399 /nfs/dbraw/zinc/80/83/99/559808399.db2.gz ZKHIHZDGSSENSO-UHFFFAOYSA-N -1 1 364.595 2.008 20 0 FEADMM COC(=O)c1cnccc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000430052084 559811985 /nfs/dbraw/zinc/81/19/85/559811985.db2.gz HYCWDSCBJFXXIR-UHFFFAOYSA-N -1 1 374.340 2.251 20 0 FEADMM CCOC(=O)c1nc(C)n(C)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000430655892 559825751 /nfs/dbraw/zinc/82/57/51/559825751.db2.gz DSUQRIRQWONMJF-UHFFFAOYSA-N -1 1 373.381 2.125 20 0 FEADMM Cc1cc(=NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)[n-]nc1C ZINC000432334498 559856538 /nfs/dbraw/zinc/85/65/38/559856538.db2.gz JRCHNHRUVVWRMP-WMZOPIPTSA-N -1 1 354.458 2.645 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N[C@H](C)Cc2c(F)cccc2F)n1 ZINC000432662820 559862846 /nfs/dbraw/zinc/86/28/46/559862846.db2.gz BETPOFIMJIZBPN-SECBINFHSA-N -1 1 369.393 2.314 20 0 FEADMM COc1cc(S(=O)(=O)Nc2c(C)cccc2O)cc(C(=O)[O-])c1OC ZINC000433834600 559888692 /nfs/dbraw/zinc/88/86/92/559888692.db2.gz UHLHQZHQQWGKJO-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)cnc2n1 ZINC000434499997 559901689 /nfs/dbraw/zinc/90/16/89/559901689.db2.gz PERSGNALYDKTPZ-YGRLFVJLSA-N -1 1 369.343 2.419 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000434499997 559901690 /nfs/dbraw/zinc/90/16/90/559901690.db2.gz PERSGNALYDKTPZ-YGRLFVJLSA-N -1 1 369.343 2.419 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)c1ccc(F)cc1 ZINC000434785528 559909284 /nfs/dbraw/zinc/90/92/84/559909284.db2.gz PUPMHDBFDHSYIW-ZDUSSCGKSA-N -1 1 372.443 2.134 20 0 FEADMM COc1cc(OC)c([N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1Cl ZINC000436477958 559942462 /nfs/dbraw/zinc/94/24/62/559942462.db2.gz JVPBSRZFCUJLKF-UHFFFAOYSA-N -1 1 350.805 2.320 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2SCC(N)=O)c1 ZINC000436518614 559944099 /nfs/dbraw/zinc/94/40/99/559944099.db2.gz LFALVPQGMSVBGF-UHFFFAOYSA-N -1 1 360.391 2.009 20 0 FEADMM CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436539441 559944879 /nfs/dbraw/zinc/94/48/79/559944879.db2.gz YIIOFTPHOIVEOS-KRWDZBQOSA-N -1 1 356.422 2.255 20 0 FEADMM COc1cc(C[C@H](CO)CNC(=O)c2cc(F)ccc2[O-])cc(OC)c1 ZINC000436583097 559946094 /nfs/dbraw/zinc/94/60/94/559946094.db2.gz GPYIQQWAJBRHHO-ZDUSSCGKSA-N -1 1 363.385 2.130 20 0 FEADMM O=C(COc1ccccc1)N1CC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436630423 559947037 /nfs/dbraw/zinc/94/70/37/559947037.db2.gz NPUBVDDFTZXAGL-CQSZACIVSA-N -1 1 374.824 2.455 20 0 FEADMM Cc1nc(COc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)no1 ZINC000436663212 559948156 /nfs/dbraw/zinc/94/81/56/559948156.db2.gz FYSMCQURIUSNCU-UHFFFAOYSA-N -1 1 353.334 2.484 20 0 FEADMM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436668279 559948218 /nfs/dbraw/zinc/94/82/18/559948218.db2.gz XGKYDXRRANUQSN-AWEZNQCLSA-N -1 1 358.781 2.150 20 0 FEADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)c1ccc2c(c1)OCCO2 ZINC000436686339 559948831 /nfs/dbraw/zinc/94/88/31/559948831.db2.gz GJCADCZTPBFKOP-UHFFFAOYSA-N -1 1 355.390 2.440 20 0 FEADMM CC1(O)CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436710276 559949530 /nfs/dbraw/zinc/94/95/30/559949530.db2.gz RPUBHGVJOUMQKM-UHFFFAOYSA-N -1 1 362.332 2.130 20 0 FEADMM CC(C)C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)Nc1nccs1 ZINC000436708693 559949696 /nfs/dbraw/zinc/94/96/96/559949696.db2.gz SWLACDFIIQBMSO-ZDUSSCGKSA-N -1 1 361.423 2.201 20 0 FEADMM O=C(NCCNS(=O)(=O)c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436754763 559951081 /nfs/dbraw/zinc/95/10/81/559951081.db2.gz JOTKXHJXSGPCIJ-UHFFFAOYSA-N -1 1 370.430 2.254 20 0 FEADMM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436776340 559951583 /nfs/dbraw/zinc/95/15/83/559951583.db2.gz UHTQATVYFYAFFN-CABCVRRESA-N -1 1 360.410 2.202 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)ccc1O ZINC000436842805 559953832 /nfs/dbraw/zinc/95/38/32/559953832.db2.gz XNNGJEXPVUDGEJ-UHFFFAOYSA-N -1 1 361.379 2.164 20 0 FEADMM CC(=O)c1ccc([O-])c(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)c1 ZINC000436878080 559955196 /nfs/dbraw/zinc/95/51/96/559955196.db2.gz RKGYTWSGBMFRCN-UHFFFAOYSA-N -1 1 366.370 2.358 20 0 FEADMM COC(=O)COc1ccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436904835 559956040 /nfs/dbraw/zinc/95/60/40/559956040.db2.gz GDGQOOSPZSGVJS-GFCCVEGCSA-N -1 1 357.362 2.004 20 0 FEADMM O=C(NC[C@@H](CO)Cc1c(F)cccc1Cl)C(=O)c1ccc([O-])cc1 ZINC000436939062 559957075 /nfs/dbraw/zinc/95/70/75/559957075.db2.gz LWEWCTRXSMDEQE-NSHDSACASA-N -1 1 365.788 2.335 20 0 FEADMM CCc1nn(C)cc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436978084 559958339 /nfs/dbraw/zinc/95/83/39/559958339.db2.gz HFECKBSTRLZQNK-UHFFFAOYSA-N -1 1 369.381 2.489 20 0 FEADMM COc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1N1CCCC1=O ZINC000437007675 559959414 /nfs/dbraw/zinc/95/94/14/559959414.db2.gz WCSUCZDLXVDJOO-UHFFFAOYSA-N -1 1 354.362 2.349 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3[nH]ccc3C)c2)n1 ZINC000437188400 559961598 /nfs/dbraw/zinc/96/15/98/559961598.db2.gz HHHOCVPBQJZFEG-UHFFFAOYSA-N -1 1 353.382 2.215 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000437221403 559962082 /nfs/dbraw/zinc/96/20/82/559962082.db2.gz YMRBFTIHAQBWIF-UMVBOHGHSA-N -1 1 372.512 2.309 20 0 FEADMM O=C(NCCF)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000437677340 559967700 /nfs/dbraw/zinc/96/77/00/559967700.db2.gz METSBMYVWNUBFZ-UHFFFAOYSA-N -1 1 358.341 2.465 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438382384 559978166 /nfs/dbraw/zinc/97/81/66/559978166.db2.gz WWIZDHMFVGINSP-IACUBPJLSA-N -1 1 356.426 2.119 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1 ZINC000438755841 559983097 /nfs/dbraw/zinc/98/30/97/559983097.db2.gz HHZMQQYEKKUWQK-QFIPXVFZSA-N -1 1 353.465 2.414 20 0 FEADMM CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3nnn[n-]3)o2)cc1 ZINC000439264149 559991206 /nfs/dbraw/zinc/99/12/06/559991206.db2.gz VFZGHJIIOAZWFX-UHFFFAOYSA-N -1 1 359.415 2.278 20 0 FEADMM CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3nn[n-]n3)o2)cc1 ZINC000439264149 559991207 /nfs/dbraw/zinc/99/12/07/559991207.db2.gz VFZGHJIIOAZWFX-UHFFFAOYSA-N -1 1 359.415 2.278 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)ccc1C ZINC000442250646 560046766 /nfs/dbraw/zinc/04/67/66/560046766.db2.gz LLKWBKXSBDQOGG-UHFFFAOYSA-N -1 1 374.422 2.347 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1 ZINC000442329192 560049368 /nfs/dbraw/zinc/04/93/68/560049368.db2.gz SUOJUGHVCBBROR-UHFFFAOYSA-N -1 1 370.434 2.375 20 0 FEADMM CC(C)(C)OC(=O)CN[C@@]1(C)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000442832178 560058841 /nfs/dbraw/zinc/05/88/41/560058841.db2.gz XXPKWDWFBMXRBS-SFHVURJKSA-N -1 1 352.406 2.067 20 0 FEADMM CO[C@@H]1CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)[C@H](C)C1 ZINC000442901804 560061535 /nfs/dbraw/zinc/06/15/35/560061535.db2.gz UYFJVRQLURZRJQ-IUODEOHRSA-N -1 1 356.426 2.121 20 0 FEADMM COc1cc(C(=O)NC[C@@H](O)COc2ccccc2)cc(Cl)c1[O-] ZINC000527487116 562289746 /nfs/dbraw/zinc/28/97/46/562289746.db2.gz VJNUTDNQFOLDME-GFCCVEGCSA-N -1 1 351.786 2.224 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc(Cl)c1[O-] ZINC000443074359 560069375 /nfs/dbraw/zinc/06/93/75/560069375.db2.gz QQVZQTZJONVJRD-KWCYVHTRSA-N -1 1 355.818 2.463 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c1 ZINC000443410411 560083401 /nfs/dbraw/zinc/08/34/01/560083401.db2.gz ZYPXVMBBMIDXCR-UHFFFAOYSA-N -1 1 355.437 2.290 20 0 FEADMM Cn1nccc1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000443938268 560096655 /nfs/dbraw/zinc/09/66/55/560096655.db2.gz BFOLCAGEMMOYJX-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCC(=O)N2)cc1[O-] ZINC000444356666 560111224 /nfs/dbraw/zinc/11/12/24/560111224.db2.gz FAOLQRZBDBLJTP-HNNXBMFYSA-N -1 1 359.426 2.062 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(Cl)cc(Br)c1F ZINC000444386887 560112917 /nfs/dbraw/zinc/11/29/17/560112917.db2.gz YBVRFKHONYTDTR-UHFFFAOYSA-N -1 1 360.574 2.174 20 0 FEADMM NC(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)co1 ZINC000444374081 560112308 /nfs/dbraw/zinc/11/23/08/560112308.db2.gz MOVMXZGDRKLSQA-UHFFFAOYSA-N -1 1 371.393 2.399 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC[C@H](C)SC)CC2)n1 ZINC000444665219 560117875 /nfs/dbraw/zinc/11/78/75/560117875.db2.gz SZBGHIGHJBRILO-NSHDSACASA-N -1 1 354.476 2.219 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3ccc(C)o3)CC2)n1 ZINC000444756086 560119857 /nfs/dbraw/zinc/11/98/57/560119857.db2.gz BAAHOUWWWCKMGQ-UHFFFAOYSA-N -1 1 360.414 2.222 20 0 FEADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)cn1 ZINC000446965957 560154446 /nfs/dbraw/zinc/15/44/46/560154446.db2.gz KJGLTWWCIDSZPI-UHFFFAOYSA-N -1 1 357.819 2.127 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CC[C@H](CC)O3)c2)n1 ZINC000447678114 560166730 /nfs/dbraw/zinc/16/67/30/560166730.db2.gz JDQTYKILSSYBLZ-GJZGRUSLSA-N -1 1 372.425 2.222 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CCO[C@@H](C)C3)c2)n1 ZINC000447683157 560166888 /nfs/dbraw/zinc/16/68/88/560166888.db2.gz NNYSRFJDTNVVHE-SWLSCSKDSA-N -1 1 372.425 2.080 20 0 FEADMM CC1CC(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)(c2cccc(Cl)c2)C1 ZINC000449832966 560241769 /nfs/dbraw/zinc/24/17/69/560241769.db2.gz FBIAXPCDAQMORN-UHFFFAOYSA-N -1 1 368.846 2.168 20 0 FEADMM CC1CC(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)(c2cccc(Cl)c2)C1 ZINC000449832966 560241770 /nfs/dbraw/zinc/24/17/70/560241770.db2.gz FBIAXPCDAQMORN-UHFFFAOYSA-N -1 1 368.846 2.168 20 0 FEADMM Cn1nc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c2c1CCCC2 ZINC000450596330 560267491 /nfs/dbraw/zinc/26/74/91/560267491.db2.gz GAFNVLFXSOSOOH-UHFFFAOYSA-N -1 1 366.418 2.062 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@H]2C[C@@H](O)C2)nc1 ZINC000450927988 560278994 /nfs/dbraw/zinc/27/89/94/560278994.db2.gz QIFSQCNYFGSESS-PHIMTYICSA-N -1 1 355.366 2.096 20 0 FEADMM CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000450963119 560280252 /nfs/dbraw/zinc/28/02/52/560280252.db2.gz CVBRESDCRSZIGI-UHFFFAOYSA-N -1 1 352.453 2.056 20 0 FEADMM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000451005348 560281947 /nfs/dbraw/zinc/28/19/47/560281947.db2.gz SCTLZRPNCMMOBV-UHFFFAOYSA-N -1 1 373.381 2.476 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000451029475 560283344 /nfs/dbraw/zinc/28/33/44/560283344.db2.gz RGJFAWOREDYJNV-UHFFFAOYSA-N -1 1 351.251 2.300 20 0 FEADMM Cn1[n-]c(COc2ccc(Br)c(C(F)(F)F)c2)nc1=O ZINC000451072788 560285639 /nfs/dbraw/zinc/28/56/39/560285639.db2.gz XXSHJDYAWPBUPO-UHFFFAOYSA-N -1 1 352.110 2.469 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2C)c1 ZINC000451113275 560287867 /nfs/dbraw/zinc/28/78/67/560287867.db2.gz KCFNKUQTFTYUII-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451198970 560292670 /nfs/dbraw/zinc/29/26/70/560292670.db2.gz COXOGSZQEZBMFU-VHSXEESVSA-N -1 1 350.893 2.327 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCOCC1 ZINC000451350957 560302006 /nfs/dbraw/zinc/30/20/06/560302006.db2.gz HVAAURNRDPKSMR-NSHDSACASA-N -1 1 367.876 2.038 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000451476024 560309289 /nfs/dbraw/zinc/30/92/89/560309289.db2.gz DLAIIFLKFIBLIQ-UONOGXRCSA-N -1 1 351.827 2.093 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(C)(F)F ZINC000451688775 560321910 /nfs/dbraw/zinc/32/19/10/560321910.db2.gz KKNRIIVNRLKSNA-DGCLKSJQSA-N -1 1 352.447 2.131 20 0 FEADMM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000451786317 560328485 /nfs/dbraw/zinc/32/84/85/560328485.db2.gz KIHCAVUPYIKWHA-UHFFFAOYSA-N -1 1 351.247 2.328 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000451955731 560340473 /nfs/dbraw/zinc/34/04/73/560340473.db2.gz BYUWXEZZDPZEIB-NWDGAFQWSA-N -1 1 371.436 2.326 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c(F)cccc32)o1 ZINC000452191032 560355187 /nfs/dbraw/zinc/35/51/87/560355187.db2.gz IUVXLTAMLCMVQO-CYBMUJFWSA-N -1 1 352.387 2.134 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000452671968 560370696 /nfs/dbraw/zinc/37/06/96/560370696.db2.gz ZWVJXOYLDOZVHL-ZACQAIPSSA-N -1 1 372.469 2.136 20 0 FEADMM CCOC1(C)CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000452697507 560371485 /nfs/dbraw/zinc/37/14/85/560371485.db2.gz MVJILSYZKVYLSZ-UHFFFAOYSA-N -1 1 356.426 2.123 20 0 FEADMM CCc1n[n-]c(=NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)s1 ZINC000454192795 560434015 /nfs/dbraw/zinc/43/40/15/560434015.db2.gz CEFMKQNJVORXTE-UHFFFAOYSA-N -1 1 365.425 2.981 20 0 FEADMM O=C(N=c1[n-]nc(C=Cc2ccco2)s1)NCc1n[nH]c(C2CC2)n1 ZINC000455058754 560468746 /nfs/dbraw/zinc/46/87/46/560468746.db2.gz SZOLEYQNWODSAF-WAYWQWQTSA-N -1 1 357.399 2.619 20 0 FEADMM COCC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCC1 ZINC000456860504 560534658 /nfs/dbraw/zinc/53/46/58/560534658.db2.gz RAMWAVQBOFLGTR-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1cnn(C)c1)CC(C)C ZINC000457343850 560563163 /nfs/dbraw/zinc/56/31/63/560563163.db2.gz NYNOREZHBUKCBY-UHFFFAOYSA-N -1 1 370.457 2.013 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C12CCC2 ZINC000458183928 560607542 /nfs/dbraw/zinc/60/75/42/560607542.db2.gz FXXCPVGLTGZHRK-HZPDHXFCSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)c([O-])c1 ZINC000460183223 560737265 /nfs/dbraw/zinc/73/72/65/560737265.db2.gz BCHJSICMPRXBHU-INIZCTEOSA-N -1 1 359.401 2.038 20 0 FEADMM Cc1cnc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c([O-])c1 ZINC000460197845 560737865 /nfs/dbraw/zinc/73/78/65/560737865.db2.gz KRWNKDMWNSKHFW-CYBMUJFWSA-N -1 1 361.398 2.389 20 0 FEADMM Cc1nc(C)c(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000461030603 560759961 /nfs/dbraw/zinc/75/99/61/560759961.db2.gz XYPYUCRFBNBKCI-UHFFFAOYSA-N -1 1 359.455 2.374 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(C)n(C)nc3c2)c1 ZINC000461331968 560766987 /nfs/dbraw/zinc/76/69/87/560766987.db2.gz IXUSWVUARGZDJN-UHFFFAOYSA-N -1 1 373.434 2.398 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc12 ZINC000461338679 560767139 /nfs/dbraw/zinc/76/71/39/560767139.db2.gz BNHBFVGREKLSQY-UHFFFAOYSA-N -1 1 356.407 2.177 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000461453730 560772036 /nfs/dbraw/zinc/77/20/36/560772036.db2.gz PZJQWXGNSBPABG-SSKCKEOISA-N -1 1 360.435 2.289 20 0 FEADMM CC(C)(NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nn[n-]n1 ZINC000461644863 560778743 /nfs/dbraw/zinc/77/87/43/560778743.db2.gz FWOAHOCMWQDZMM-UHFFFAOYSA-N -1 1 368.372 2.256 20 0 FEADMM CC(C)Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)[nH]n1 ZINC000462377356 560808084 /nfs/dbraw/zinc/80/80/84/560808084.db2.gz BGPBTOFBQKELRE-UHFFFAOYSA-N -1 1 374.466 2.244 20 0 FEADMM COC[C@@](C)(NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(F)(F)F ZINC000464504481 560843617 /nfs/dbraw/zinc/84/36/17/560843617.db2.gz DKQGITUSGOKDFL-CYBMUJFWSA-N -1 1 367.393 2.229 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000466268974 560882964 /nfs/dbraw/zinc/88/29/64/560882964.db2.gz WCORZZAYMKRSMX-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)o1 ZINC000466534105 560889153 /nfs/dbraw/zinc/88/91/53/560889153.db2.gz MTNGJRXEEVMYMC-NSHDSACASA-N -1 1 355.343 2.007 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)ccc1C ZINC000467086682 560903295 /nfs/dbraw/zinc/90/32/95/560903295.db2.gz VZDPIGPXLLNMKC-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM COc1cc(F)c([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)cc1F ZINC000468368096 560928130 /nfs/dbraw/zinc/92/81/30/560928130.db2.gz QYMOQBWIRFAXDI-UHFFFAOYSA-N -1 1 360.338 2.069 20 0 FEADMM CCOc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)ccc1OC ZINC000468604078 560933895 /nfs/dbraw/zinc/93/38/95/560933895.db2.gz WSNHHDIOXGROQQ-UHFFFAOYSA-N -1 1 370.365 2.404 20 0 FEADMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[nH]n1 ZINC000468913901 560942050 /nfs/dbraw/zinc/94/20/50/560942050.db2.gz LIFDNSRMAQEGEW-UHFFFAOYSA-N -1 1 371.484 2.203 20 0 FEADMM Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(c3nc(=N)[n-]s3)CC2)c(C)c1 ZINC000469286568 560951821 /nfs/dbraw/zinc/95/18/21/560951821.db2.gz XMBCLDAFYLJROK-AWEZNQCLSA-N -1 1 374.514 2.195 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1cccc2cc[nH]c21 ZINC000469458269 560955685 /nfs/dbraw/zinc/95/56/85/560955685.db2.gz CDMQKVGBBQPDIY-UHFFFAOYSA-N -1 1 373.416 2.481 20 0 FEADMM CC[S@@](=O)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469514462 560956819 /nfs/dbraw/zinc/95/68/19/560956819.db2.gz XIBBRTWLWNFTBI-HSZRJFAPSA-N -1 1 366.464 2.195 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3OC)o1 ZINC000470609910 560985801 /nfs/dbraw/zinc/98/58/01/560985801.db2.gz CSGQYELMNRWQBQ-LBPRGKRZSA-N -1 1 351.380 2.041 20 0 FEADMM COc1ccc(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)cc1OC ZINC000470767581 560989229 /nfs/dbraw/zinc/98/92/29/560989229.db2.gz WOVRXHIHSPCLLL-UHFFFAOYSA-N -1 1 356.469 2.298 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cncs1 ZINC000470958923 560995256 /nfs/dbraw/zinc/99/52/56/560995256.db2.gz LWOVBMZUJLCDGA-NSHDSACASA-N -1 1 355.423 2.429 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000470979446 560995756 /nfs/dbraw/zinc/99/57/56/560995756.db2.gz JQJUEVFLERRXBO-VHSXEESVSA-N -1 1 353.304 2.007 20 0 FEADMM Cc1nn(-c2ccccc2)c2sc(C(=O)NC3(c4nn[n-]n4)CC3)cc12 ZINC000470986488 560995929 /nfs/dbraw/zinc/99/59/29/560995929.db2.gz PRKBEYOQZQNCAD-UHFFFAOYSA-N -1 1 365.422 2.328 20 0 FEADMM COC(=O)c1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)ccc1C ZINC000471516763 561006299 /nfs/dbraw/zinc/00/62/99/561006299.db2.gz SHYFQSRFDUYIEL-UHFFFAOYSA-N -1 1 368.349 2.092 20 0 FEADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000471907713 561014063 /nfs/dbraw/zinc/01/40/63/561014063.db2.gz PQASWQPIKUKMIQ-UHFFFAOYSA-N -1 1 353.375 2.322 20 0 FEADMM CC(C)(C)N1C[C@H](NC(=O)c2cc(Br)ccc2[O-])CC1=O ZINC000472589111 561030078 /nfs/dbraw/zinc/03/00/78/561030078.db2.gz AOZDRJGSBLHEQA-SNVBAGLBSA-N -1 1 355.232 2.284 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cccc(C)c1C ZINC000472735162 561034088 /nfs/dbraw/zinc/03/40/88/561034088.db2.gz DWABPFCCJHBLMP-GOEBONIOSA-N -1 1 355.456 2.006 20 0 FEADMM C[C@H]1C[C@H](O)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473002790 561039982 /nfs/dbraw/zinc/03/99/82/561039982.db2.gz TZYPKJBZXTYMKV-BBRMVZONSA-N -1 1 360.435 2.083 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000473195184 561043937 /nfs/dbraw/zinc/04/39/37/561043937.db2.gz JLVIVSKSMANECJ-AWEZNQCLSA-N -1 1 373.409 2.111 20 0 FEADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000473422452 561049867 /nfs/dbraw/zinc/04/98/67/561049867.db2.gz UTQFISIBRPCDCI-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM O=S(=O)([N-]C[C@H](O)COCC1CC1)c1ccc(Cl)c(F)c1Cl ZINC000473854176 561059228 /nfs/dbraw/zinc/05/92/28/561059228.db2.gz OBJFWJXAFFQWOZ-VIFPVBQESA-N -1 1 372.245 2.198 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)c(OC)c2)c1 ZINC000474310455 561070840 /nfs/dbraw/zinc/07/08/40/561070840.db2.gz HAFLOIPOYYHBGS-UHFFFAOYSA-N -1 1 365.411 2.133 20 0 FEADMM C[C@@H](Sc1ccc(Br)cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000474998710 561087354 /nfs/dbraw/zinc/08/73/54/561087354.db2.gz DLCZQYSDTUBCPY-MRVPVSSYSA-N -1 1 370.276 2.494 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C ZINC000475787408 561105227 /nfs/dbraw/zinc/10/52/27/561105227.db2.gz GGDVVWMLROJWBZ-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C ZINC000475814112 561106038 /nfs/dbraw/zinc/10/60/38/561106038.db2.gz VVLNEALWFVTJEV-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1nn[n-]n1 ZINC000476062242 561110709 /nfs/dbraw/zinc/11/07/09/561110709.db2.gz NJMQTAHCBAFWCY-UHFFFAOYSA-N -1 1 363.175 2.432 20 0 FEADMM C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477050737 561135397 /nfs/dbraw/zinc/13/53/97/561135397.db2.gz OAKWBSVAPRSDAY-MRVPVSSYSA-N -1 1 368.260 2.248 20 0 FEADMM CCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2c1CCCC2)c1nn[n-]n1 ZINC000528797606 562348271 /nfs/dbraw/zinc/34/82/71/562348271.db2.gz IWIQZGBQJAXOBQ-MRVPVSSYSA-N -1 1 357.340 2.023 20 0 FEADMM Cc1cccc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1Br ZINC000528882814 562351653 /nfs/dbraw/zinc/35/16/53/562351653.db2.gz NQIJZPAOZKVQOH-LBPRGKRZSA-N -1 1 364.247 2.219 20 0 FEADMM CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000529969220 562393236 /nfs/dbraw/zinc/39/32/36/562393236.db2.gz VRALQNAMAJTUFU-WBMJQRKESA-N -1 1 358.460 2.042 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cc1O ZINC000530135888 562399333 /nfs/dbraw/zinc/39/93/33/562399333.db2.gz ZUSKIXISAMYMDL-UHFFFAOYSA-N -1 1 358.419 2.337 20 0 FEADMM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC000530163553 562400913 /nfs/dbraw/zinc/40/09/13/562400913.db2.gz PACSSOIUNWPARZ-JTQLQIEISA-N -1 1 369.347 2.307 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)SCC2)c1c(F)cccc1Cl ZINC000530330102 562407122 /nfs/dbraw/zinc/40/71/22/562407122.db2.gz ZYNJBBRYLCMRET-UHFFFAOYSA-N -1 1 361.851 2.302 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000532012278 562463913 /nfs/dbraw/zinc/46/39/13/562463913.db2.gz CTGWOIDKXFIBFE-LLVKDONJSA-N -1 1 372.352 2.294 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCNC(=O)c2ccc(Cl)cc2)sc1C ZINC000532497132 562479581 /nfs/dbraw/zinc/47/95/81/562479581.db2.gz MVBYUZIPDJDQLU-UHFFFAOYSA-N -1 1 373.887 2.122 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000532711923 562486316 /nfs/dbraw/zinc/48/63/16/562486316.db2.gz QNEYEEFGHUJBBR-STQMWFEESA-N -1 1 350.415 2.218 20 0 FEADMM Cc1ccc(-c2nc(CN3CCN(c4nc(=N)[n-]s4)CC3)co2)cc1 ZINC000532736071 562487176 /nfs/dbraw/zinc/48/71/76/562487176.db2.gz UYWVMYBDRXYQLE-UHFFFAOYSA-N -1 1 356.455 2.406 20 0 FEADMM O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793212 562489223 /nfs/dbraw/zinc/48/92/23/562489223.db2.gz UFPMDXPSDGVLJK-SECBINFHSA-N -1 1 356.213 2.292 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000534899830 562544886 /nfs/dbraw/zinc/54/48/86/562544886.db2.gz FVSNBOLWEAARSJ-SSDOTTSWSA-N -1 1 362.181 2.469 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)co1 ZINC000535127980 562551592 /nfs/dbraw/zinc/55/15/92/562551592.db2.gz AREQVYLGJBQZJI-MRXNPFEDSA-N -1 1 362.451 2.343 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2cccc(OC)c2)co1 ZINC000535161897 562552410 /nfs/dbraw/zinc/55/24/10/562552410.db2.gz NVULINHAOUMZFT-UHFFFAOYSA-N -1 1 366.439 2.499 20 0 FEADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000535498594 562559954 /nfs/dbraw/zinc/55/99/54/562559954.db2.gz PVFHFKLXVTVUJX-UHFFFAOYSA-N -1 1 370.515 2.238 20 0 FEADMM COc1ccc(COCCCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000535580537 562561861 /nfs/dbraw/zinc/56/18/61/562561861.db2.gz QIZNJXBFCJUFBP-UHFFFAOYSA-N -1 1 359.430 2.091 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)cc1F ZINC000536111460 562572865 /nfs/dbraw/zinc/57/28/65/562572865.db2.gz CSMMHOYDOHUMEZ-UHFFFAOYSA-N -1 1 353.327 2.096 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1C ZINC000536113121 562572883 /nfs/dbraw/zinc/57/28/83/562572883.db2.gz JTKDGMKXGFJHCO-UHFFFAOYSA-N -1 1 371.422 2.189 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccncc2CC)o1 ZINC000536902946 562582233 /nfs/dbraw/zinc/58/22/33/562582233.db2.gz AMGCHVLAVRFEDC-LLVKDONJSA-N -1 1 352.412 2.453 20 0 FEADMM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(OC(F)F)cc1 ZINC000537403892 562590459 /nfs/dbraw/zinc/59/04/59/562590459.db2.gz QOBLINWROPTOOS-ZDUSSCGKSA-N -1 1 362.292 2.115 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)C[C@H]1CC=CCC1 ZINC000541331953 562609575 /nfs/dbraw/zinc/60/95/75/562609575.db2.gz QVKULJDFOBLMSH-INIZCTEOSA-N -1 1 374.485 2.075 20 0 FEADMM O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cc(=O)n2[n-]cnc2n1 ZINC000541841447 562621323 /nfs/dbraw/zinc/62/13/23/562621323.db2.gz NYGBAWALSPBYNX-UHFFFAOYSA-N -1 1 371.360 2.009 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@H]2CCO[C@@H](C)C2)no1 ZINC000545805824 562630504 /nfs/dbraw/zinc/63/05/04/562630504.db2.gz PHXVTPVDAUNTHO-FZMZJTMJSA-N -1 1 367.409 2.397 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)c3cc(=O)n4[n-]cnc4n3)c2)cs1 ZINC000546067108 562633203 /nfs/dbraw/zinc/63/32/03/562633203.db2.gz DWBXQPCXAVZZAZ-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000546540376 562637663 /nfs/dbraw/zinc/63/76/63/562637663.db2.gz MSRAFXGMOWRTKS-UHFFFAOYSA-N -1 1 372.874 2.057 20 0 FEADMM O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550101015 562642475 /nfs/dbraw/zinc/64/24/75/562642475.db2.gz IOKUFBZECFTHOJ-JTQLQIEISA-N -1 1 350.400 2.103 20 0 FEADMM Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550102092 562642638 /nfs/dbraw/zinc/64/26/38/562642638.db2.gz NCDKHAIQULQFPB-UHFFFAOYSA-N -1 1 353.382 2.289 20 0 FEADMM COC(C)(C)c1nsc(N=C([O-])[C@H](C(=O)OC(C)(C)C)C(C)C)n1 ZINC000601795977 567844211 /nfs/dbraw/zinc/84/42/11/567844211.db2.gz OAZIVQGXCYVCGD-SNVBAGLBSA-N -1 1 357.476 2.394 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)n[n-]1 ZINC000603015958 568051848 /nfs/dbraw/zinc/05/18/48/568051848.db2.gz MCHSAVFENMBAPU-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000603015958 568051849 /nfs/dbraw/zinc/05/18/49/568051849.db2.gz MCHSAVFENMBAPU-UHFFFAOYSA-N -1 1 360.267 2.069 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(Cc3ccccc3Cl)CC2)n[n-]1 ZINC000603016947 568052010 /nfs/dbraw/zinc/05/20/10/568052010.db2.gz NEMZXADYTFVSQQ-UHFFFAOYSA-N -1 1 362.817 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(Cc3ccccc3Cl)CC2)n1 ZINC000603016947 568052011 /nfs/dbraw/zinc/05/20/11/568052011.db2.gz NEMZXADYTFVSQQ-UHFFFAOYSA-N -1 1 362.817 2.274 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2c(F)cccc2SC)n[n-]1 ZINC000603152640 568065153 /nfs/dbraw/zinc/06/51/53/568065153.db2.gz CVROGFWMCIRREW-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2c(F)cccc2SC)[n-]1 ZINC000603152640 568065154 /nfs/dbraw/zinc/06/51/54/568065154.db2.gz CVROGFWMCIRREW-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2c(F)cccc2SC)n1 ZINC000603152640 568065155 /nfs/dbraw/zinc/06/51/55/568065155.db2.gz CVROGFWMCIRREW-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2SCCc3ccccc32)n[n-]1 ZINC000603158415 568068983 /nfs/dbraw/zinc/06/89/83/568068983.db2.gz YFUVEYVINJHCTC-MFKMUULPSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2SCCc3ccccc32)[n-]1 ZINC000603158415 568068984 /nfs/dbraw/zinc/06/89/84/568068984.db2.gz YFUVEYVINJHCTC-MFKMUULPSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2SCCc3ccccc32)n1 ZINC000603158415 568068985 /nfs/dbraw/zinc/06/89/85/568068985.db2.gz YFUVEYVINJHCTC-MFKMUULPSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2SCCc3ccccc32)n[n-]1 ZINC000603158413 568068991 /nfs/dbraw/zinc/06/89/91/568068991.db2.gz YFUVEYVINJHCTC-GWCFXTLKSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2SCCc3ccccc32)[n-]1 ZINC000603158413 568068992 /nfs/dbraw/zinc/06/89/92/568068992.db2.gz YFUVEYVINJHCTC-GWCFXTLKSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2SCCc3ccccc32)n1 ZINC000603158413 568068993 /nfs/dbraw/zinc/06/89/93/568068993.db2.gz YFUVEYVINJHCTC-GWCFXTLKSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(Br)s2)n[n-]1 ZINC000603163190 568069624 /nfs/dbraw/zinc/06/96/24/568069624.db2.gz HBZKYRCMFUCVIO-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(Br)s2)[n-]1 ZINC000603163190 568069625 /nfs/dbraw/zinc/06/96/25/568069625.db2.gz HBZKYRCMFUCVIO-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(Br)s2)n1 ZINC000603163190 568069626 /nfs/dbraw/zinc/06/96/26/568069626.db2.gz HBZKYRCMFUCVIO-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(C)C ZINC000603631877 568128005 /nfs/dbraw/zinc/12/80/05/568128005.db2.gz LOUZORJGTYGKIM-AWEZNQCLSA-N -1 1 365.455 2.305 20 0 FEADMM CC[C@@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)[C@@H]1CCCO1 ZINC000626268684 568317727 /nfs/dbraw/zinc/31/77/27/568317727.db2.gz AGESHUXKAUYBSM-HIFRSBDPSA-N -1 1 360.410 2.233 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H](CO)C1 ZINC000128571286 568392461 /nfs/dbraw/zinc/39/24/61/568392461.db2.gz HWPDWDZJUCSDHI-OAHLLOKOSA-N -1 1 374.462 2.332 20 0 FEADMM Cn1cc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000737601270 598846959 /nfs/dbraw/zinc/84/69/59/598846959.db2.gz BTQSVHOASJYHJE-UHFFFAOYSA-N -1 1 365.422 2.259 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC2C[C@@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000737188027 598892313 /nfs/dbraw/zinc/89/23/13/598892313.db2.gz WFYZDVCJEXQLFV-IUCAKERBSA-N -1 1 362.459 2.244 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCCC[C@@H]1C ZINC000737200892 598908952 /nfs/dbraw/zinc/90/89/52/598908952.db2.gz NVUWWMXJKHGIBO-NSHDSACASA-N -1 1 358.446 2.308 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc2o1 ZINC000737487857 598930659 /nfs/dbraw/zinc/93/06/59/598930659.db2.gz KMZBCHGURVLCIM-UHFFFAOYSA-N -1 1 370.394 2.426 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCCOC(C)C ZINC000737549420 598941632 /nfs/dbraw/zinc/94/16/32/598941632.db2.gz WUSZMDSSTGJPCG-UHFFFAOYSA-N -1 1 372.429 2.446 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCCOC(C)C ZINC000737549420 598941634 /nfs/dbraw/zinc/94/16/34/598941634.db2.gz WUSZMDSSTGJPCG-UHFFFAOYSA-N -1 1 372.429 2.446 20 0 FEADMM c1cn(-c2ncccc2CNc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000738445699 598959814 /nfs/dbraw/zinc/95/98/14/598959814.db2.gz KTYWJUMZJYVEAP-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1cn(-c2ncccc2CNc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000738445699 598959816 /nfs/dbraw/zinc/95/98/16/598959816.db2.gz KTYWJUMZJYVEAP-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)c1cccc(OC)c1 ZINC000736505035 598989089 /nfs/dbraw/zinc/98/90/89/598989089.db2.gz GBBFBGNTPBAVAM-LBPRGKRZSA-N -1 1 352.398 2.494 20 0 FEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)c1cccc(OC)c1 ZINC000736505035 598989090 /nfs/dbraw/zinc/98/90/90/598989090.db2.gz GBBFBGNTPBAVAM-LBPRGKRZSA-N -1 1 352.398 2.494 20 0 FEADMM O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738187280 598994854 /nfs/dbraw/zinc/99/48/54/598994854.db2.gz RZVLHSTVVXWJFT-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738187280 598994855 /nfs/dbraw/zinc/99/48/55/598994855.db2.gz RZVLHSTVVXWJFT-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000735482202 598995504 /nfs/dbraw/zinc/99/55/04/598995504.db2.gz NTHHQYSKSSVPGB-UHFFFAOYSA-N -1 1 351.370 2.089 20 0 FEADMM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000735482202 598995505 /nfs/dbraw/zinc/99/55/05/598995505.db2.gz NTHHQYSKSSVPGB-UHFFFAOYSA-N -1 1 351.370 2.089 20 0 FEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000736742555 599003006 /nfs/dbraw/zinc/00/30/06/599003006.db2.gz ONBKLANPGQKSAP-UHFFFAOYSA-N -1 1 364.287 2.437 20 0 FEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000736742555 599003008 /nfs/dbraw/zinc/00/30/08/599003008.db2.gz ONBKLANPGQKSAP-UHFFFAOYSA-N -1 1 364.287 2.437 20 0 FEADMM CCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736555081 599032515 /nfs/dbraw/zinc/03/25/15/599032515.db2.gz DKAJNJXEGGSRAD-UHFFFAOYSA-N -1 1 367.431 2.278 20 0 FEADMM CCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736555081 599032516 /nfs/dbraw/zinc/03/25/16/599032516.db2.gz DKAJNJXEGGSRAD-UHFFFAOYSA-N -1 1 367.431 2.278 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)CO1 ZINC000737423539 599223977 /nfs/dbraw/zinc/22/39/77/599223977.db2.gz QPWDTOPLZQIMGF-SUMWQHHRSA-N -1 1 364.409 2.172 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)CO1 ZINC000737423539 599223979 /nfs/dbraw/zinc/22/39/79/599223979.db2.gz QPWDTOPLZQIMGF-SUMWQHHRSA-N -1 1 364.409 2.172 20 0 FEADMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000819151704 597534696 /nfs/dbraw/zinc/53/46/96/597534696.db2.gz PTFVKZSBSAHOMZ-CYBMUJFWSA-N -1 1 360.410 2.463 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)O2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707787 674424988 /nfs/dbraw/zinc/42/49/88/674424988.db2.gz BGADFZVLBXAVGP-YFKTTZPYSA-N -1 1 350.381 2.248 20 0 FEADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)cc1 ZINC000821545792 598160684 /nfs/dbraw/zinc/16/06/84/598160684.db2.gz KMZLWLAYTUEFLP-UHFFFAOYSA-N -1 1 366.377 2.350 20 0 FEADMM COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865571 598216016 /nfs/dbraw/zinc/21/60/16/598216016.db2.gz SFIHDGZPVAVSGU-FHLIZLRMSA-N -1 1 373.453 2.089 20 0 FEADMM Fc1ccc(Br)cc1CNc1nccnc1-c1nnn[n-]1 ZINC000737651263 598342495 /nfs/dbraw/zinc/34/24/95/598342495.db2.gz RINPZGNUEKXDLI-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1ccc(Br)cc1CNc1nccnc1-c1nn[n-]n1 ZINC000737651263 598342497 /nfs/dbraw/zinc/34/24/97/598342497.db2.gz RINPZGNUEKXDLI-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM c1ccc(COc2cccc(CNc3nccnc3-c3nnn[n-]3)c2)nc1 ZINC000738433224 598345040 /nfs/dbraw/zinc/34/50/40/598345040.db2.gz RWKWBESJULFAEJ-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM c1ccc(COc2cccc(CNc3nccnc3-c3nn[n-]n3)c2)nc1 ZINC000738433224 598345041 /nfs/dbraw/zinc/34/50/41/598345041.db2.gz RWKWBESJULFAEJ-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM Fc1ccc(Br)cc1CCNc1nccnc1-c1nnn[n-]1 ZINC000737648767 598348546 /nfs/dbraw/zinc/34/85/46/598348546.db2.gz IWYYKHBWETXPKY-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Fc1ccc(Br)cc1CCNc1nccnc1-c1nn[n-]n1 ZINC000737648767 598348547 /nfs/dbraw/zinc/34/85/47/598348547.db2.gz IWYYKHBWETXPKY-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM COc1ccc([C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c(OC)c1 ZINC000737073686 598385639 /nfs/dbraw/zinc/38/56/39/598385639.db2.gz AUPLATLPHQUOAC-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc([C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c(OC)c1 ZINC000737073686 598385640 /nfs/dbraw/zinc/38/56/40/598385640.db2.gz AUPLATLPHQUOAC-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@@H]2CCCCN12 ZINC000557088949 674435960 /nfs/dbraw/zinc/43/59/60/674435960.db2.gz FFGTWIMNRAZRCK-STQMWFEESA-N -1 1 352.387 2.004 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)no1 ZINC000557091724 674436180 /nfs/dbraw/zinc/43/61/80/674436180.db2.gz HAHAWAYMYKSRRY-CQSZACIVSA-N -1 1 364.814 2.494 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](COC(F)F)C2)c(=O)[n-]1 ZINC000557124538 674438062 /nfs/dbraw/zinc/43/80/62/674438062.db2.gz QQBRWEQETSPHKG-SNVBAGLBSA-N -1 1 361.414 2.233 20 0 FEADMM COc1ccccc1OCCN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737153147 598576422 /nfs/dbraw/zinc/57/64/22/598576422.db2.gz WPFBSGCIZBHATO-UHFFFAOYSA-N -1 1 360.805 2.439 20 0 FEADMM COc1ccccc1OCCN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737153147 598576424 /nfs/dbraw/zinc/57/64/24/598576424.db2.gz WPFBSGCIZBHATO-UHFFFAOYSA-N -1 1 360.805 2.439 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000738342785 598595839 /nfs/dbraw/zinc/59/58/39/598595839.db2.gz QEZKFLTXFXLZCX-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM CCc1nn(CCOc2cc(C)ccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705912 598641979 /nfs/dbraw/zinc/64/19/79/598641979.db2.gz CKCBXTRGPPUVCR-UHFFFAOYSA-N -1 1 368.441 2.244 20 0 FEADMM COc1cccc(-c2nc(Cn3cccc(-c4nn[n-]n4)c3=O)cs2)c1 ZINC000737122053 598675708 /nfs/dbraw/zinc/67/57/08/598675708.db2.gz QNGSJRAKMUIEAP-UHFFFAOYSA-N -1 1 366.406 2.209 20 0 FEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc(-c2ccccc2)cc1 ZINC000737986132 598677988 /nfs/dbraw/zinc/67/79/88/598677988.db2.gz CMLNISBOUDNXFA-UHFFFAOYSA-N -1 1 372.388 2.334 20 0 FEADMM Cc1ccccc1CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737428232 598686947 /nfs/dbraw/zinc/68/69/47/598686947.db2.gz NRGACWAQRUBIJG-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000737200518 598734901 /nfs/dbraw/zinc/73/49/01/598734901.db2.gz NKYPZGBVBOJRTC-GHMZBOCLSA-N -1 1 358.446 2.306 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)c(C)c1F ZINC000808119762 674442299 /nfs/dbraw/zinc/44/22/99/674442299.db2.gz HPJILCHLBWJNET-UHFFFAOYSA-N -1 1 367.398 2.161 20 0 FEADMM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000557583029 674455287 /nfs/dbraw/zinc/45/52/87/674455287.db2.gz RYAUAIXXJHBFDK-WCQYABFASA-N -1 1 369.259 2.090 20 0 FEADMM CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820994698 599376051 /nfs/dbraw/zinc/37/60/51/599376051.db2.gz KHGFRWOQEHMXIZ-JTQLQIEISA-N -1 1 373.891 2.036 20 0 FEADMM CC(C)NC(=O)Nc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735888155 599407939 /nfs/dbraw/zinc/40/79/39/599407939.db2.gz HWTHIGLZKDSWNT-UHFFFAOYSA-N -1 1 352.402 2.404 20 0 FEADMM CC(C)NC(=O)Nc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735888155 599407940 /nfs/dbraw/zinc/40/79/40/599407940.db2.gz HWTHIGLZKDSWNT-UHFFFAOYSA-N -1 1 352.402 2.404 20 0 FEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000736139762 599418914 /nfs/dbraw/zinc/41/89/14/599418914.db2.gz XNCFXHJBVUKDFT-NSHDSACASA-N -1 1 351.370 2.391 20 0 FEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000736139762 599418915 /nfs/dbraw/zinc/41/89/15/599418915.db2.gz XNCFXHJBVUKDFT-NSHDSACASA-N -1 1 351.370 2.391 20 0 FEADMM COCCN(Cc1ccccn1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821690334 599485501 /nfs/dbraw/zinc/48/55/01/599485501.db2.gz GJIJKNOLVKPEBE-UHFFFAOYSA-N -1 1 361.409 2.463 20 0 FEADMM COCCN(Cc1ccccn1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821690334 599485503 /nfs/dbraw/zinc/48/55/03/599485503.db2.gz GJIJKNOLVKPEBE-UHFFFAOYSA-N -1 1 361.409 2.463 20 0 FEADMM Cc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1OC1CCOCC1 ZINC000737277815 599534924 /nfs/dbraw/zinc/53/49/24/599534924.db2.gz AIDZOHBBEBUZFJ-UHFFFAOYSA-N -1 1 353.386 2.267 20 0 FEADMM Cc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1OC1CCOCC1 ZINC000737277815 599534927 /nfs/dbraw/zinc/53/49/27/599534927.db2.gz AIDZOHBBEBUZFJ-UHFFFAOYSA-N -1 1 353.386 2.267 20 0 FEADMM CC[C@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820979659 599552950 /nfs/dbraw/zinc/55/29/50/599552950.db2.gz JBYRCMRVKGFOLL-JTQLQIEISA-N -1 1 362.459 2.484 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548147 599664266 /nfs/dbraw/zinc/66/42/66/599664266.db2.gz GEZJVHYYQZVPPN-JOYOIKCWSA-N -1 1 361.402 2.385 20 0 FEADMM CCCC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000564801064 599705161 /nfs/dbraw/zinc/70/51/61/599705161.db2.gz AOVLJUBJTCHJNQ-HNNXBMFYSA-N -1 1 374.890 2.290 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(OC)c1OC ZINC000738040952 599748396 /nfs/dbraw/zinc/74/83/96/599748396.db2.gz DLYOETRILIFKSO-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM O=C([O-])Nc1cccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000740043510 599816401 /nfs/dbraw/zinc/81/64/01/599816401.db2.gz UVAFYJYLSZZKKU-UHFFFAOYSA-N -1 1 367.365 2.411 20 0 FEADMM C[C@@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736686816 599817409 /nfs/dbraw/zinc/81/74/09/599817409.db2.gz IYHXTVQJJNACHV-SNVBAGLBSA-N -1 1 371.349 2.278 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])Oc4ccccc43)[nH]n2)o1 ZINC000738486936 599912972 /nfs/dbraw/zinc/91/29/72/599912972.db2.gz MSBGXSFJQVBUGM-MRXNPFEDSA-N -1 1 353.334 2.471 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000726765350 599926588 /nfs/dbraw/zinc/92/65/88/599926588.db2.gz JLXIQCQYPQWEHV-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(C)CC(C)(C)C ZINC000737653547 599994975 /nfs/dbraw/zinc/99/49/75/599994975.db2.gz ZMWUCYHZIJTBTK-UHFFFAOYSA-N -1 1 356.444 2.458 20 0 FEADMM CCC(CC)[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)N1CCOCC1 ZINC000736896092 600014923 /nfs/dbraw/zinc/01/49/23/600014923.db2.gz WKOIYHYRQBAGQN-JCYILVPMSA-N -1 1 369.506 2.066 20 0 FEADMM O=C([O-])c1ccc(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000570902440 600045508 /nfs/dbraw/zinc/04/55/08/600045508.db2.gz RCTLRIOZUCOPEP-UHFFFAOYSA-N -1 1 368.433 2.474 20 0 FEADMM COc1ccccc1[C@H](C)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000738120053 600046216 /nfs/dbraw/zinc/04/62/16/600046216.db2.gz KPZGUYRDWITURF-KSSFIOAISA-N -1 1 368.433 2.384 20 0 FEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000739547667 600076484 /nfs/dbraw/zinc/07/64/84/600076484.db2.gz NCCXRMUPYAEHSQ-GJZGRUSLSA-N -1 1 350.846 2.389 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000739285640 600080182 /nfs/dbraw/zinc/08/01/82/600080182.db2.gz ITGNSTJGAOFEPI-JKSUJKDBSA-N -1 1 359.426 2.160 20 0 FEADMM COCCOc1ccc(F)cc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000737829649 600099508 /nfs/dbraw/zinc/09/95/08/600099508.db2.gz UDXWPGAPFUKPQN-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(C)(C)C(=O)[O-] ZINC000737396946 600137080 /nfs/dbraw/zinc/13/70/80/600137080.db2.gz MMNVBODEFLLNPW-UHFFFAOYSA-N -1 1 358.320 2.315 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)N(C)C)C(=O)[O-])cc1 ZINC000738552100 600173738 /nfs/dbraw/zinc/17/37/38/600173738.db2.gz MNYJUEZLTPHMPD-MOPGFXCFSA-N -1 1 354.450 2.452 20 0 FEADMM O=C([O-])c1cc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000738672226 600181466 /nfs/dbraw/zinc/18/14/66/600181466.db2.gz OGIPFMHLYXSDCN-LSDHHAIUSA-N -1 1 367.833 2.101 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])ccc1F ZINC000737154220 600254981 /nfs/dbraw/zinc/25/49/81/600254981.db2.gz MXYUGDNCGMWDRO-UHFFFAOYSA-N -1 1 370.358 2.138 20 0 FEADMM COc1ccc([C@@H](NCCC(=O)NCC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737974865 600317808 /nfs/dbraw/zinc/31/78/08/600317808.db2.gz XBMXADPTILHVAG-IBGZPJMESA-N -1 1 360.385 2.104 20 0 FEADMM CN1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000737521637 600376533 /nfs/dbraw/zinc/37/65/33/600376533.db2.gz PASUNALREFNCBS-STQMWFEESA-N -1 1 355.232 2.175 20 0 FEADMM CCOc1cc(C)nc(N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)n1 ZINC000737193042 600406651 /nfs/dbraw/zinc/40/66/51/600406651.db2.gz LZIMUXXUJBDNGY-QGZVFWFLSA-N -1 1 356.426 2.132 20 0 FEADMM O=C([O-])c1sc(N2CCC(CCN3CCOCC3)CC2)nc1Cl ZINC000740278946 600434419 /nfs/dbraw/zinc/43/44/19/600434419.db2.gz LSQNWUGQSDESLO-UHFFFAOYSA-N -1 1 359.879 2.433 20 0 FEADMM C[C@H](NC(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000736641471 600515294 /nfs/dbraw/zinc/51/52/94/600515294.db2.gz RFGOPCJNJQCVAD-XJKSGUPXSA-N -1 1 368.861 2.473 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1C(=O)[O-] ZINC000738070101 600544712 /nfs/dbraw/zinc/54/47/12/600544712.db2.gz YQFPWPBYZYHUQI-SNVBAGLBSA-N -1 1 365.411 2.362 20 0 FEADMM CC[C@](C)(NCC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000094229161 600562152 /nfs/dbraw/zinc/56/21/52/600562152.db2.gz LTVFKZWDRCPTPJ-BONVTDFDSA-N -1 1 357.248 2.469 20 0 FEADMM CCN(C)[C@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC000737069434 600581341 /nfs/dbraw/zinc/58/13/41/600581341.db2.gz UBDMZMBUEQGPBY-MJGOQNOKSA-N -1 1 370.449 2.445 20 0 FEADMM CC(C)c1nn(C)c(N(C)C)c1CNCc1cccc(OCC(=O)[O-])c1 ZINC000736533253 600639774 /nfs/dbraw/zinc/63/97/74/600639774.db2.gz UYCQJCJJWXZBFJ-UHFFFAOYSA-N -1 1 360.458 2.363 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833003906 600660720 /nfs/dbraw/zinc/66/07/20/600660720.db2.gz BKUVRCGFNGHBGP-KRWDZBQOSA-N -1 1 373.340 2.102 20 0 FEADMM CC1CCN(CCNS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000828290052 600710862 /nfs/dbraw/zinc/71/08/62/600710862.db2.gz RFGONPDTDCBLID-UHFFFAOYSA-N -1 1 360.863 2.048 20 0 FEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCC(=O)OC(C)C)CC2 ZINC000832102879 600817241 /nfs/dbraw/zinc/81/72/41/600817241.db2.gz JWJGADNXPAOROL-HNNXBMFYSA-N -1 1 365.426 2.419 20 0 FEADMM Cn1nc2c(cc1=O)CN(Cc1c(C(=O)[O-])sc3cccc(F)c31)CC2 ZINC000833060472 600827153 /nfs/dbraw/zinc/82/71/53/600827153.db2.gz LXXRHZRQFHQBPP-UHFFFAOYSA-N -1 1 373.409 2.391 20 0 FEADMM COCCOC[C@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000831763328 600846933 /nfs/dbraw/zinc/84/69/33/600846933.db2.gz PERJBTYMAJVHTL-GJZGRUSLSA-N -1 1 364.442 2.005 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)cc(C(=O)[O-])c1 ZINC000737659251 600976901 /nfs/dbraw/zinc/97/69/01/600976901.db2.gz HRZBZEBJVIUDFI-NZVBXONLSA-N -1 1 360.410 2.086 20 0 FEADMM Cc1nnc(SCC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])[nH]1 ZINC000832990594 600981108 /nfs/dbraw/zinc/98/11/08/600981108.db2.gz GBEXNKLVPXLYTC-QWHCGFSZSA-N -1 1 352.460 2.087 20 0 FEADMM Cc1n[nH]c(SCC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000832990594 600981110 /nfs/dbraw/zinc/98/11/10/600981110.db2.gz GBEXNKLVPXLYTC-QWHCGFSZSA-N -1 1 352.460 2.087 20 0 FEADMM CC[C@@H](C)[C@@H](NC(=O)CNC1(c2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000828716073 601003179 /nfs/dbraw/zinc/00/31/79/601003179.db2.gz FKQLUORHHBVZEG-CXAGYDPISA-N -1 1 366.433 2.037 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000827380658 601085523 /nfs/dbraw/zinc/08/55/23/601085523.db2.gz SRKIAWXSUGZTPB-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000630226393 601086360 /nfs/dbraw/zinc/08/63/60/601086360.db2.gz XQSKSJRMDPRIRK-OLZOCXBDSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000630222007 601091049 /nfs/dbraw/zinc/09/10/49/601091049.db2.gz BPHXWWIQDNUAKA-XBFCOCLRSA-N -1 1 352.381 2.076 20 0 FEADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000738958199 601104896 /nfs/dbraw/zinc/10/48/96/601104896.db2.gz WAYMHERGVCQIIH-CQSZACIVSA-N -1 1 362.430 2.499 20 0 FEADMM CCn1ncc2ccc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc21 ZINC000830452536 601131723 /nfs/dbraw/zinc/13/17/23/601131723.db2.gz ZVLJSAPQSLYAMX-CYBMUJFWSA-N -1 1 359.430 2.069 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1 ZINC000827368557 601133532 /nfs/dbraw/zinc/13/35/32/601133532.db2.gz GGNHTMCYPLACIZ-LBPRGKRZSA-N -1 1 368.865 2.419 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000828714474 601155934 /nfs/dbraw/zinc/15/59/34/601155934.db2.gz ASRHGHFGFAVPSR-LOUJCGABSA-N -1 1 368.499 2.252 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)NC3(CC(=O)[O-])CCCCC3)c2)CC1 ZINC000663120529 601187416 /nfs/dbraw/zinc/18/74/16/601187416.db2.gz WXNGHLALNRCAQM-UHFFFAOYSA-N -1 1 373.497 2.341 20 0 FEADMM CN(CCNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000830785232 601196028 /nfs/dbraw/zinc/19/60/28/601196028.db2.gz NWPWTYXMIFUMPE-MRXNPFEDSA-N -1 1 363.433 2.154 20 0 FEADMM CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828879736 601259062 /nfs/dbraw/zinc/25/90/62/601259062.db2.gz NYMRUZVBWOBTCT-GFCCVEGCSA-N -1 1 360.863 2.191 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CSc1n[nH]c(=S)s1 ZINC000833180693 601277636 /nfs/dbraw/zinc/27/76/36/601277636.db2.gz GRIBXZLDAJTHII-CIUDSAMLSA-N -1 1 359.498 2.163 20 0 FEADMM O=C([O-])c1ccc2c(cnn2CN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000833326030 601342976 /nfs/dbraw/zinc/34/29/76/601342976.db2.gz GQSABOXETOOBBI-QGZVFWFLSA-N -1 1 359.426 2.352 20 0 FEADMM O=C([O-])c1nn(CN2CCC(C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000833346326 601397836 /nfs/dbraw/zinc/39/78/36/601397836.db2.gz IBAYOBOWZWNLST-UHFFFAOYSA-N -1 1 356.426 2.026 20 0 FEADMM CCC1CCC(NCC(=O)N2CCO[C@H]3CCCC[C@H]32)(C(=O)[O-])CC1 ZINC000829101860 601494985 /nfs/dbraw/zinc/49/49/85/601494985.db2.gz ZCWVPJJKPVTYBA-BHEGOAEISA-N -1 1 352.475 2.170 20 0 FEADMM CCC1CCC(NCC(=O)NC(=O)NCc2cccs2)(C(=O)[O-])CC1 ZINC000829101363 601497011 /nfs/dbraw/zinc/49/70/11/601497011.db2.gz OPSPDKOFOSIXIA-UHFFFAOYSA-N -1 1 367.471 2.087 20 0 FEADMM CCCCO[C@@H]1C[C@@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC000582671620 601564485 /nfs/dbraw/zinc/56/44/85/601564485.db2.gz RTSHHYUNMBFBDZ-HZPDHXFCSA-N -1 1 354.491 2.225 20 0 FEADMM Cc1cc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832861110 601564697 /nfs/dbraw/zinc/56/46/97/601564697.db2.gz VWRORQOMPBORSX-RDJZCZTQSA-N -1 1 360.454 2.466 20 0 FEADMM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc(C)c1OCC(=O)[O-] ZINC000832866241 601678845 /nfs/dbraw/zinc/67/88/45/601678845.db2.gz BMFNDBPOIXWMSH-UHFFFAOYSA-N -1 1 367.365 2.199 20 0 FEADMM O=C([O-])c1cc(CNCC(=O)Nc2ccc(Br)cc2)c[nH]1 ZINC000833110206 601831642 /nfs/dbraw/zinc/83/16/42/601831642.db2.gz LZHQCCYEBZAUKK-UHFFFAOYSA-N -1 1 352.188 2.204 20 0 FEADMM O=C([O-])N[C@H](C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000740690039 601862711 /nfs/dbraw/zinc/86/27/11/601862711.db2.gz SEIZXRYDZHSHJQ-SFHVURJKSA-N -1 1 368.437 2.171 20 0 FEADMM O=C([O-])N[C@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000740690402 601868094 /nfs/dbraw/zinc/86/80/94/601868094.db2.gz UZPXGVAMKYARBK-SFHVURJKSA-N -1 1 368.437 2.171 20 0 FEADMM CCC[C@@H](NC(=O)[O-])C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739310372 601871015 /nfs/dbraw/zinc/87/10/15/601871015.db2.gz HEBIVPGGHARFRO-MRXNPFEDSA-N -1 1 351.422 2.343 20 0 FEADMM O=C([O-])N1[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000740477987 601893205 /nfs/dbraw/zinc/89/32/05/601893205.db2.gz LTXVKDWJAVACHG-DRZSPHRISA-N -1 1 356.386 2.116 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC2(CC1)OCc1ccccc12 ZINC000825977327 601909636 /nfs/dbraw/zinc/90/96/36/601909636.db2.gz DAEBDCGXCREWIL-HNNXBMFYSA-N -1 1 372.465 2.220 20 0 FEADMM C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826009075 601919946 /nfs/dbraw/zinc/91/99/46/601919946.db2.gz QSHWVLGUIWWYMB-RISCZKNCSA-N -1 1 356.875 2.237 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000736379167 601933858 /nfs/dbraw/zinc/93/38/58/601933858.db2.gz ZOCVIFYGWPJZSE-HNNXBMFYSA-N -1 1 351.472 2.466 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000739053662 601939210 /nfs/dbraw/zinc/93/92/10/601939210.db2.gz NALSTCUJZIGCHZ-CHWSQXEVSA-N -1 1 353.850 2.449 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738598471 601941110 /nfs/dbraw/zinc/94/11/10/601941110.db2.gz AJMIKGYMXKLKEL-RYUDHWBXSA-N -1 1 371.840 2.416 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000828019700 601944389 /nfs/dbraw/zinc/94/43/89/601944389.db2.gz BIBBQISEGYTHEG-MRXNPFEDSA-N -1 1 358.360 2.374 20 0 FEADMM C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739039970 601990467 /nfs/dbraw/zinc/99/04/67/601990467.db2.gz PEELDJHSJQYWST-BDAKNGLRSA-N -1 1 366.361 2.161 20 0 FEADMM Cc1nc(Cc2nnc(SCc3ccnc(-c4nnn[n-]4)c3)o2)cs1 ZINC000826326133 607537957 /nfs/dbraw/zinc/53/79/57/607537957.db2.gz BUGGTDWUAWYWDS-UHFFFAOYSA-N -1 1 372.439 2.293 20 0 FEADMM Cc1nc(Cc2nnc(SCc3ccnc(-c4nn[n-]n4)c3)o2)cs1 ZINC000826326133 607537959 /nfs/dbraw/zinc/53/79/59/607537959.db2.gz BUGGTDWUAWYWDS-UHFFFAOYSA-N -1 1 372.439 2.293 20 0 FEADMM CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000825796957 607538579 /nfs/dbraw/zinc/53/85/79/607538579.db2.gz RJDKKFZDHMDGOA-UHFFFAOYSA-N -1 1 354.399 2.425 20 0 FEADMM CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccco1 ZINC000825796957 607538581 /nfs/dbraw/zinc/53/85/81/607538581.db2.gz RJDKKFZDHMDGOA-UHFFFAOYSA-N -1 1 354.399 2.425 20 0 FEADMM O=C([O-])NCCCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000739952432 602023745 /nfs/dbraw/zinc/02/37/45/602023745.db2.gz CFJDQABHYOUVHM-UHFFFAOYSA-N -1 1 357.414 2.226 20 0 FEADMM O=C([O-])N1CCC[C@@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000740345186 602024275 /nfs/dbraw/zinc/02/42/75/602024275.db2.gz JVBNINJFRYDNGL-OAHLLOKOSA-N -1 1 369.425 2.320 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1cccs1 ZINC000739605502 602052873 /nfs/dbraw/zinc/05/28/73/602052873.db2.gz BREZXGKMHIOCTA-CHWSQXEVSA-N -1 1 354.476 2.040 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000739608625 602052881 /nfs/dbraw/zinc/05/28/81/602052881.db2.gz PXJCLWSDKRLCME-ZDUSSCGKSA-N -1 1 354.476 2.040 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000827996346 602061236 /nfs/dbraw/zinc/06/12/36/602061236.db2.gz MXQPJBKCMDLMPP-LJQANCHMSA-N -1 1 363.433 2.296 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000739608581 602061343 /nfs/dbraw/zinc/06/13/43/602061343.db2.gz OZNQUOPNNMJEBD-MRXNPFEDSA-N -1 1 366.437 2.118 20 0 FEADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000829961103 602076541 /nfs/dbraw/zinc/07/65/41/602076541.db2.gz PIFGNUUIOFCYHK-AWEZNQCLSA-N -1 1 351.790 2.292 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)c1ccsc1 ZINC000739609675 602086941 /nfs/dbraw/zinc/08/69/41/602086941.db2.gz XESYTDOMLYLUDA-KGLIPLIRSA-N -1 1 354.476 2.135 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCCN1C(=O)[O-])c1ccco1 ZINC000739409193 602143107 /nfs/dbraw/zinc/14/31/07/602143107.db2.gz XTKIZAVIQIPAKT-CABCVRRESA-N -1 1 366.462 2.494 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC000821058425 602196423 /nfs/dbraw/zinc/19/64/23/602196423.db2.gz OMZVEFBGXZUDMP-ZDUSSCGKSA-N -1 1 360.439 2.338 20 0 FEADMM CCCc1nc(=NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s[n-]1 ZINC000558458463 674497262 /nfs/dbraw/zinc/49/72/62/674497262.db2.gz HMDDGSMCEJVKKO-LLVKDONJSA-N -1 1 361.475 2.320 20 0 FEADMM CC(C)CN1CCN(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1 ZINC000738826538 602284822 /nfs/dbraw/zinc/28/48/22/602284822.db2.gz YKKSQRHRLGPOCH-UHFFFAOYSA-N -1 1 364.446 2.139 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccsc1 ZINC000739608612 602383166 /nfs/dbraw/zinc/38/31/66/602383166.db2.gz PMBUKPWFWOIULV-JKSUJKDBSA-N -1 1 361.467 2.346 20 0 FEADMM CN(CC1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1)C(=O)[O-] ZINC000739662009 602385157 /nfs/dbraw/zinc/38/51/57/602385157.db2.gz YGUSYXSLVHCLKS-IRXDYDNUSA-N -1 1 351.491 2.489 20 0 FEADMM CN(C[C@H]1CCCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1)C(=O)[O-] ZINC000739636232 602399048 /nfs/dbraw/zinc/39/90/48/602399048.db2.gz ISTLWJSJZKONID-OLZOCXBDSA-N -1 1 365.396 2.109 20 0 FEADMM C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738618070 602408346 /nfs/dbraw/zinc/40/83/46/602408346.db2.gz IGFMCWYBUCXLNM-OAHLLOKOSA-N -1 1 359.470 2.282 20 0 FEADMM O=C([O-])NCCCNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000740653626 602415872 /nfs/dbraw/zinc/41/58/72/602415872.db2.gz RNJADHFCASLPNR-HNNXBMFYSA-N -1 1 368.865 2.434 20 0 FEADMM C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000739159276 602510817 /nfs/dbraw/zinc/51/08/17/602510817.db2.gz GAXSGIDCIBLINB-QMMMGPOBSA-N -1 1 367.203 2.150 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)c(C)c1 ZINC000740065003 602528601 /nfs/dbraw/zinc/52/86/01/602528601.db2.gz YDDGLPJRBKQUOF-QGZVFWFLSA-N -1 1 361.486 2.202 20 0 FEADMM Cc1ccc([C@H](NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000740116226 602532720 /nfs/dbraw/zinc/53/27/20/602532720.db2.gz AWEKTDFZGRWCSX-BEFAXECRSA-N -1 1 359.470 2.494 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739956403 602543426 /nfs/dbraw/zinc/54/34/26/602543426.db2.gz DOPBBUDNYVROMQ-GJZGRUSLSA-N -1 1 363.458 2.146 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccccc1OC)[C@H]1CCN(C(=O)[O-])C1 ZINC000739346150 602546162 /nfs/dbraw/zinc/54/61/62/602546162.db2.gz AVKAXZILSNJUME-INIZCTEOSA-N -1 1 363.458 2.118 20 0 FEADMM O=Cc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826483871 607574181 /nfs/dbraw/zinc/57/41/81/607574181.db2.gz DAIPXTTVVPCTOP-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM O=Cc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826483871 607574183 /nfs/dbraw/zinc/57/41/83/607574183.db2.gz DAIPXTTVVPCTOP-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM CCOc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825658287 607575137 /nfs/dbraw/zinc/57/51/37/607575137.db2.gz CXRNGUMPHBEDKU-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCOc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825658287 607575138 /nfs/dbraw/zinc/57/51/38/607575138.db2.gz CXRNGUMPHBEDKU-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1)C(=O)[O-] ZINC000739648853 602608507 /nfs/dbraw/zinc/60/85/07/602608507.db2.gz HBXHEDZUGJFLKX-GJZGRUSLSA-N -1 1 364.446 2.058 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000826304501 607576211 /nfs/dbraw/zinc/57/62/11/607576211.db2.gz NMROKOGSFROIFO-UHFFFAOYSA-N -1 1 356.407 2.432 20 0 FEADMM CC1(C)CN(C2(CNC(=O)[C@H]3CCCN3C(=O)[O-])CCCCC2)CCO1 ZINC000739064074 602677552 /nfs/dbraw/zinc/67/75/52/602677552.db2.gz RVRNTFVFAYAFLN-OAHLLOKOSA-N -1 1 367.490 2.059 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000739002307 602689901 /nfs/dbraw/zinc/68/99/01/602689901.db2.gz HHYJKWIQVCDHSI-OCCSQVGLSA-N -1 1 368.503 2.429 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739606615 602692120 /nfs/dbraw/zinc/69/21/20/602692120.db2.gz FNNYJDNNZZJYSA-XJKSGUPXSA-N -1 1 366.437 2.118 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000739605776 602698062 /nfs/dbraw/zinc/69/80/62/602698062.db2.gz COGBMVRWQAEOOE-GXTWGEPZSA-N -1 1 354.476 2.040 20 0 FEADMM Cc1ccccc1CC(=O)N1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740180713 602704839 /nfs/dbraw/zinc/70/48/39/602704839.db2.gz JZVWIDNTKHYTMX-QGZVFWFLSA-N -1 1 359.470 2.072 20 0 FEADMM CCc1cc(CNC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)n[nH]1 ZINC000739536119 602717374 /nfs/dbraw/zinc/71/73/74/602717374.db2.gz NFCRYSVTQWBXRK-UHFFFAOYSA-N -1 1 371.441 2.213 20 0 FEADMM O=S(=O)(NCC1(c2ccccc2)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490498 607582683 /nfs/dbraw/zinc/58/26/83/607582683.db2.gz XJDVZDZGWULFIY-UHFFFAOYSA-N -1 1 373.413 2.016 20 0 FEADMM CN(C)Cc1cc(CNC(=O)C2(NC(=O)[O-])CCCCC2)ccc1F ZINC000739609407 602762466 /nfs/dbraw/zinc/76/24/66/602762466.db2.gz BXTQQRSCFIGHKU-UHFFFAOYSA-N -1 1 351.422 2.474 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@H](C)N1CCc2ccccc2C1)NC(=O)[O-] ZINC000738784407 602795034 /nfs/dbraw/zinc/79/50/34/602795034.db2.gz GQEFRUVDYRJTND-YOEHRIQHSA-N -1 1 362.474 2.025 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739441022 602799907 /nfs/dbraw/zinc/79/99/07/602799907.db2.gz JQFRTUOMCMDLLV-CZUORRHYSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739132700 602811383 /nfs/dbraw/zinc/81/13/83/602811383.db2.gz GASNRFUBBCHWQP-KFWWJZLASA-N -1 1 364.446 2.104 20 0 FEADMM C[C@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@@H]1NC(=O)[O-] ZINC000739136381 602836283 /nfs/dbraw/zinc/83/62/83/602836283.db2.gz FGNRBMWHKQYTHZ-LRDDRELGSA-N -1 1 366.437 2.075 20 0 FEADMM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824925479 607595459 /nfs/dbraw/zinc/59/54/59/607595459.db2.gz DASKIHHPTVCUDO-WDEREUQCSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CCN1C(=O)[O-] ZINC000739177746 602936035 /nfs/dbraw/zinc/93/60/35/602936035.db2.gz WJKSUGPQPMMYIM-MRVPVSSYSA-N -1 1 367.203 2.150 20 0 FEADMM C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CCN1C(=O)[O-] ZINC000739177750 602936208 /nfs/dbraw/zinc/93/62/08/602936208.db2.gz WJKSUGPQPMMYIM-QMMMGPOBSA-N -1 1 367.203 2.150 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739136606 602955785 /nfs/dbraw/zinc/95/57/85/602955785.db2.gz OUYURWBDNDIUGN-FRRDWIJNSA-N -1 1 354.476 2.133 20 0 FEADMM CC(C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824166911 607598046 /nfs/dbraw/zinc/59/80/46/607598046.db2.gz MBUQZZRCUVLJNC-UHFFFAOYSA-N -1 1 361.402 2.219 20 0 FEADMM O=C(CCc1ccc2ccccc2n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826409084 607599976 /nfs/dbraw/zinc/59/99/76/607599976.db2.gz HYBKIMZJJYRQLV-UHFFFAOYSA-N -1 1 360.377 2.486 20 0 FEADMM O=C(CCc1ccc2ccccc2n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826409084 607599978 /nfs/dbraw/zinc/59/99/78/607599978.db2.gz HYBKIMZJJYRQLV-UHFFFAOYSA-N -1 1 360.377 2.486 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(-c2nc([C@@H](C)CN(C)C(=O)[O-])no2)[nH]n1 ZINC000740243851 603011702 /nfs/dbraw/zinc/01/17/02/603011702.db2.gz QCKOJGUFSWPMDC-QMMMGPOBSA-N -1 1 359.390 2.190 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000826691483 603058906 /nfs/dbraw/zinc/05/89/06/603058906.db2.gz RXQJPMWTOPPJTA-AAEUAGOBSA-N -1 1 369.849 2.347 20 0 FEADMM CCCc1nnc([C@@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000737049715 603076967 /nfs/dbraw/zinc/07/69/67/603076967.db2.gz BQRKRIDOTAOBIQ-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)n1 ZINC000737049715 603076972 /nfs/dbraw/zinc/07/69/72/603076972.db2.gz BQRKRIDOTAOBIQ-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CCN(c1cccnc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825444177 607606384 /nfs/dbraw/zinc/60/63/84/607606384.db2.gz JROMOLSGKJRYGD-UHFFFAOYSA-N -1 1 364.818 2.130 20 0 FEADMM CCN(c1cccnc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825444177 607606386 /nfs/dbraw/zinc/60/63/86/607606386.db2.gz JROMOLSGKJRYGD-UHFFFAOYSA-N -1 1 364.818 2.130 20 0 FEADMM CN(CC1CCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1)C(=O)[O-] ZINC000739650146 603127746 /nfs/dbraw/zinc/12/77/46/603127746.db2.gz NDUWZZHWFCSFAV-UHFFFAOYSA-N -1 1 372.429 2.003 20 0 FEADMM CN(CC1CCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC1)C(=O)[O-] ZINC000739650146 603127747 /nfs/dbraw/zinc/12/77/47/603127747.db2.gz NDUWZZHWFCSFAV-UHFFFAOYSA-N -1 1 372.429 2.003 20 0 FEADMM O=S(=O)(Oc1ccccc1OC(F)F)c1ccccc1-c1nn[n-]n1 ZINC000826493818 607611285 /nfs/dbraw/zinc/61/12/85/607611285.db2.gz DDJSRPYRTXXYOR-UHFFFAOYSA-N -1 1 368.321 2.236 20 0 FEADMM O=C([O-])N1CCC[C@@H](CNCc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 ZINC000831981042 603178368 /nfs/dbraw/zinc/17/83/68/603178368.db2.gz SUUGJZFXKQRDCC-QWRGUYRKSA-N -1 1 361.368 2.197 20 0 FEADMM O=C([O-])NC1(C(=O)Nc2ccn(-c3ccncc3)n2)Cc2ccccc2C1 ZINC000740543614 603179886 /nfs/dbraw/zinc/17/98/86/603179886.db2.gz XSMQAGPVAAPARQ-UHFFFAOYSA-N -1 1 363.377 2.011 20 0 FEADMM Cc1ccc([C@@H](NCCNC(=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000830261612 603180103 /nfs/dbraw/zinc/18/01/03/603180103.db2.gz CNUDDYLNTQVTMM-QGZVFWFLSA-N -1 1 362.451 2.345 20 0 FEADMM CCc1ncc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cn1 ZINC000825750621 607615320 /nfs/dbraw/zinc/61/53/20/607615320.db2.gz UPVGJNQCDLGDCU-UHFFFAOYSA-N -1 1 364.369 2.164 20 0 FEADMM CCc1ncc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cn1 ZINC000825750621 607615321 /nfs/dbraw/zinc/61/53/21/607615321.db2.gz UPVGJNQCDLGDCU-UHFFFAOYSA-N -1 1 364.369 2.164 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CN(C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739906659 603321967 /nfs/dbraw/zinc/32/19/67/603321967.db2.gz MLGBTUOSOUMIPG-NSHDSACASA-N -1 1 355.822 2.219 20 0 FEADMM Cc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1NC(=O)[O-] ZINC000830185605 603341901 /nfs/dbraw/zinc/34/19/01/603341901.db2.gz BOACGONZERADIG-UHFFFAOYSA-N -1 1 361.442 2.269 20 0 FEADMM CC(C)(C)OC(=O)NC[C@](C)(O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809985494 674523656 /nfs/dbraw/zinc/52/36/56/674523656.db2.gz OSPYMEBCLAPRQT-AWEZNQCLSA-N -1 1 365.402 2.488 20 0 FEADMM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809984900 674523827 /nfs/dbraw/zinc/52/38/27/674523827.db2.gz BZVZZAMJMXGLET-QMMMGPOBSA-N -1 1 369.397 2.440 20 0 FEADMM Cn1cncc1[C@@H]1CCCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831045916 603403673 /nfs/dbraw/zinc/40/36/73/603403673.db2.gz DWDLKHBJLQFXIG-LNLFQRSKSA-N -1 1 372.469 2.187 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000827851526 603612532 /nfs/dbraw/zinc/61/25/32/603612532.db2.gz MEPMRESNUJVLOG-CABCVRRESA-N -1 1 364.446 2.200 20 0 FEADMM COc1cccc([C@@H](CNC(=O)C2(CNC(=O)[O-])CCCC2)N(C)C)c1 ZINC000829544238 603620192 /nfs/dbraw/zinc/62/01/92/603620192.db2.gz UBLXZWVUFPIPQG-MRXNPFEDSA-N -1 1 363.458 2.242 20 0 FEADMM C[NH+](C)C1(CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])Cc2ccccc2C1 ZINC000828001358 603725058 /nfs/dbraw/zinc/72/50/58/603725058.db2.gz PUHFXMPMILOPKP-UHFFFAOYSA-N -1 1 369.421 2.311 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262706 603743092 /nfs/dbraw/zinc/74/30/92/603743092.db2.gz XBRFZBKVGPXLRY-CABCVRRESA-N -1 1 364.446 2.167 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000826116835 603784034 /nfs/dbraw/zinc/78/40/34/603784034.db2.gz VTUXMSVPOXMLLX-SDBXPKJASA-N -1 1 366.805 2.336 20 0 FEADMM Cc1ncccc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830818500 603909334 /nfs/dbraw/zinc/90/93/34/603909334.db2.gz LZMUOFGLOZOCFF-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM Cc1ncccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830818500 603909340 /nfs/dbraw/zinc/90/93/40/603909340.db2.gz LZMUOFGLOZOCFF-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cc(Cl)c[nH]3)cc2)n1 ZINC000832729551 603913668 /nfs/dbraw/zinc/91/36/68/603913668.db2.gz FWHKEQSAIFUTBC-UHFFFAOYSA-N -1 1 360.761 2.473 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cc(Cl)c[nH]3)cc2)n[nH]1 ZINC000832729551 603913669 /nfs/dbraw/zinc/91/36/69/603913669.db2.gz FWHKEQSAIFUTBC-UHFFFAOYSA-N -1 1 360.761 2.473 20 0 FEADMM CN(C)[C@@H](CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827995142 603994046 /nfs/dbraw/zinc/99/40/46/603994046.db2.gz QKSSNNZTLOXJPJ-WMLDXEAASA-N -1 1 353.850 2.449 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000828793865 604019952 /nfs/dbraw/zinc/01/99/52/604019952.db2.gz PJUBWSUQMLQXNA-GXTWGEPZSA-N -1 1 360.414 2.149 20 0 FEADMM O=C([O-])N1CC[C@@H](CN2CCN(C(=O)Cc3cccc(Cl)c3)CC2)C1 ZINC000831878338 604064715 /nfs/dbraw/zinc/06/47/15/604064715.db2.gz GTIBOGIVPKPBIW-HNNXBMFYSA-N -1 1 365.861 2.027 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000829555517 604259586 /nfs/dbraw/zinc/25/95/86/604259586.db2.gz BYUVLDZPFBCUCH-ZBFHGGJFSA-N -1 1 363.458 2.022 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000579910386 604313545 /nfs/dbraw/zinc/31/35/45/604313545.db2.gz GVNYKKBAAQHJDT-UHFFFAOYSA-N -1 1 358.372 2.209 20 0 FEADMM CS(=O)(=O)CCCCN(Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829668987 604347527 /nfs/dbraw/zinc/34/75/27/604347527.db2.gz JHNSMEUFRMPOPI-QGZVFWFLSA-N -1 1 368.499 2.456 20 0 FEADMM Cc1nnc(SCCC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)[nH]1 ZINC000830893055 604452108 /nfs/dbraw/zinc/45/21/08/604452108.db2.gz JEBOSCAVKIOCHZ-SNVBAGLBSA-N -1 1 363.443 2.240 20 0 FEADMM COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc2c1OCCO2 ZINC000831995789 604466385 /nfs/dbraw/zinc/46/63/85/604466385.db2.gz PDBQOWHAKZJJBN-MRXNPFEDSA-N -1 1 355.390 2.478 20 0 FEADMM CS(=O)(=O)Nc1cccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000832703952 604466725 /nfs/dbraw/zinc/46/67/25/604466725.db2.gz MSTAIFJWJYUAOT-KRWDZBQOSA-N -1 1 360.435 2.070 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000833286552 604498820 /nfs/dbraw/zinc/49/88/20/604498820.db2.gz SGYPCMPRPQUCIH-KXBFYZLASA-N -1 1 361.442 2.020 20 0 FEADMM CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000833685938 604503108 /nfs/dbraw/zinc/50/31/08/604503108.db2.gz UPALWNLSZQVFFH-UHFFFAOYSA-N -1 1 356.791 2.232 20 0 FEADMM CC1(c2cccc(Br)c2)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000833572853 604566793 /nfs/dbraw/zinc/56/67/93/604566793.db2.gz DJMNYFYDKAYILM-UHFFFAOYSA-N -1 1 369.259 2.003 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H]3CC(=O)[O-])n[nH]2)cc1OC ZINC000832111771 604584548 /nfs/dbraw/zinc/58/45/48/604584548.db2.gz IZTZRYZGGLDCEI-LBPRGKRZSA-N -1 1 359.382 2.173 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1-c1cc[nH+]cc1 ZINC000832853005 604621575 /nfs/dbraw/zinc/62/15/75/604621575.db2.gz PXLKYZAVPSOZGT-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000559059486 674525995 /nfs/dbraw/zinc/52/59/95/674525995.db2.gz HDHUODVVNUXTIX-JQWIXIFHSA-N -1 1 369.409 2.168 20 0 FEADMM COc1cc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c(OC)cc1Cl ZINC000832017340 604740089 /nfs/dbraw/zinc/74/00/89/604740089.db2.gz RKYPSMBYZPXDAA-JTQLQIEISA-N -1 1 370.833 2.481 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@H](CNC(=O)[O-])C3)n[nH]2)c1 ZINC000829531738 604757490 /nfs/dbraw/zinc/75/74/90/604757490.db2.gz OJXLNJGUQWKTOC-GFCCVEGCSA-N -1 1 358.398 2.205 20 0 FEADMM O=C([O-])[C@@H](O)C1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000833771208 604763298 /nfs/dbraw/zinc/76/32/98/604763298.db2.gz XUGFHEGPJKDFOP-INIZCTEOSA-N -1 1 351.353 2.012 20 0 FEADMM CSc1ccc([C@@H](C)NCC(=O)N2CCN(C(=O)[O-])CC2)cc1F ZINC000829761119 604770998 /nfs/dbraw/zinc/77/09/98/604770998.db2.gz YVVUCYXJMSUAGI-LLVKDONJSA-N -1 1 355.435 2.020 20 0 FEADMM O=C([O-])CC1(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CCOCC1 ZINC000833205958 604791824 /nfs/dbraw/zinc/79/18/24/604791824.db2.gz SBXQMZZQWOJTPR-UHFFFAOYSA-N -1 1 371.315 2.267 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ncccc2Br)s1 ZINC000091272092 604796811 /nfs/dbraw/zinc/79/68/11/604796811.db2.gz BVRBYRZJGVYGDY-UHFFFAOYSA-N -1 1 363.214 2.405 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)c3cccc(C)c3)CC2)O1 ZINC000833579046 604823097 /nfs/dbraw/zinc/82/30/97/604823097.db2.gz KYBHQPUPNZLNMC-KRWDZBQOSA-N -1 1 358.438 2.290 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000833416639 604856445 /nfs/dbraw/zinc/85/64/45/604856445.db2.gz CCMFEHFNFWCEFJ-DOMZBBRYSA-N -1 1 362.401 2.280 20 0 FEADMM COc1ccccc1N1C(=O)C[C@H](N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833736611 604857419 /nfs/dbraw/zinc/85/74/19/604857419.db2.gz QQEJLQVFQQZLLQ-HIFRSBDPSA-N -1 1 374.437 2.150 20 0 FEADMM Cc1cc(N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000830077072 604876994 /nfs/dbraw/zinc/87/69/94/604876994.db2.gz BKWVRPFUJLQCTI-ZDUSSCGKSA-N -1 1 374.416 2.283 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000833764109 604897668 /nfs/dbraw/zinc/89/76/68/604897668.db2.gz WUISIGMXTXMIBY-SFHVURJKSA-N -1 1 371.437 2.476 20 0 FEADMM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCC[C@@H]1CC(=O)[O-])C2=O ZINC000828156484 604980375 /nfs/dbraw/zinc/98/03/75/604980375.db2.gz LLZFUCSMVAZYRU-VFVRVIDISA-N -1 1 351.447 2.020 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000184916788 605000683 /nfs/dbraw/zinc/00/06/83/605000683.db2.gz IKHISTTUBIGTCB-LLVKDONJSA-N -1 1 360.863 2.048 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])N1CCC[C@H](C)C1 ZINC000833614705 605017538 /nfs/dbraw/zinc/01/75/38/605017538.db2.gz SEQREWGPXHQACQ-RYUDHWBXSA-N -1 1 374.890 2.437 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]c21 ZINC000833716822 605059208 /nfs/dbraw/zinc/05/92/08/605059208.db2.gz REGMPYHNNBPTBP-UHFFFAOYSA-N -1 1 357.297 2.439 20 0 FEADMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000320714961 605074503 /nfs/dbraw/zinc/07/45/03/605074503.db2.gz UYVGTTVEGHKCPY-RNCFNFMXSA-N -1 1 353.831 2.356 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000833626939 605102882 /nfs/dbraw/zinc/10/28/82/605102882.db2.gz SQBYMGRITFCICU-YJBOKZPZSA-N -1 1 360.454 2.202 20 0 FEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1Br ZINC000833742783 605104625 /nfs/dbraw/zinc/10/46/25/605104625.db2.gz VYLQYKZZQKDFBY-GFCCVEGCSA-N -1 1 369.259 2.379 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C[C@@H]1C ZINC000833655926 605162083 /nfs/dbraw/zinc/16/20/83/605162083.db2.gz HPGOJJQQFVWBPW-NWDGAFQWSA-N -1 1 363.414 2.118 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C[C@H]1C ZINC000833657608 605165149 /nfs/dbraw/zinc/16/51/49/605165149.db2.gz MZPANVQSIJJDAX-NEPJUHHUSA-N -1 1 363.414 2.118 20 0 FEADMM C[NH+](C)Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833689603 605167715 /nfs/dbraw/zinc/16/77/15/605167715.db2.gz KEGLXNKMYKKXRS-UHFFFAOYSA-N -1 1 352.387 2.386 20 0 FEADMM O=C([O-])c1ccccc1NC(=O)CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000833764579 605186245 /nfs/dbraw/zinc/18/62/45/605186245.db2.gz IZLLYERQPFDMLI-UHFFFAOYSA-N -1 1 354.362 2.331 20 0 FEADMM CC(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833397006 605202632 /nfs/dbraw/zinc/20/26/32/605202632.db2.gz UHXVBLDSOWLAJD-CQSZACIVSA-N -1 1 355.232 2.175 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C(=O)CC4(CCCCC4)C3=O)C[C@H]21 ZINC000834177503 605321388 /nfs/dbraw/zinc/32/13/88/605321388.db2.gz CBMMTFVVDNPNNG-RBSFLKMASA-N -1 1 363.458 2.021 20 0 FEADMM C[C@H](CC(=O)Nc1cc(-c2nccn2C)n[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824679887 605336748 /nfs/dbraw/zinc/33/67/48/605336748.db2.gz PDUURDRAAZAFAL-LLVKDONJSA-N -1 1 360.418 2.165 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000833995917 605416886 /nfs/dbraw/zinc/41/68/86/605416886.db2.gz WQCIGTKKULCSEY-KRWDZBQOSA-N -1 1 360.458 2.085 20 0 FEADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(N(C)C(=O)[O-])CC1 ZINC000833919618 605593654 /nfs/dbraw/zinc/59/36/54/605593654.db2.gz LZDHPGJIHUXPQO-UHFFFAOYSA-N -1 1 366.462 2.026 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C1 ZINC000833818998 605669793 /nfs/dbraw/zinc/66/97/93/605669793.db2.gz SLEXOOZEVRRXFR-DUVNUKRYSA-N -1 1 366.437 2.116 20 0 FEADMM O=C([O-])NC1CCN(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000834180889 605821129 /nfs/dbraw/zinc/82/11/29/605821129.db2.gz AHOBILCJKWEEBH-BLGFXRMMSA-N -1 1 357.454 2.423 20 0 FEADMM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000834121311 605834758 /nfs/dbraw/zinc/83/47/58/605834758.db2.gz XSLAPRQVQNPUJS-BRWVUGGUSA-N -1 1 357.414 2.227 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)cc2C1 ZINC000834057431 605924599 /nfs/dbraw/zinc/92/45/99/605924599.db2.gz LKMKSHVFJYPRLT-CQSZACIVSA-N -1 1 356.386 2.040 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C(=O)[O-])c1 ZINC000833510610 605936352 /nfs/dbraw/zinc/93/63/52/605936352.db2.gz MPCJPRJXTDPDMZ-GXTWGEPZSA-N -1 1 373.453 2.188 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C(=O)[O-])c1 ZINC000833510610 605936355 /nfs/dbraw/zinc/93/63/55/605936355.db2.gz MPCJPRJXTDPDMZ-GXTWGEPZSA-N -1 1 373.453 2.188 20 0 FEADMM O=C([O-])N1CC[C@H](CCN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000834076594 605983626 /nfs/dbraw/zinc/98/36/26/605983626.db2.gz ZTWOMIOLZQMFTO-SMDDNHRTSA-N -1 1 356.419 2.024 20 0 FEADMM O=C([O-])N[C@H](CC(F)F)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000834135720 606000689 /nfs/dbraw/zinc/00/06/89/606000689.db2.gz ZFEBPJRPQZOGAS-VXGBXAGGSA-N -1 1 359.373 2.214 20 0 FEADMM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)N1CCc2sccc2C1 ZINC000833828935 606043301 /nfs/dbraw/zinc/04/33/01/606043301.db2.gz QGNQDCQQOZCQAS-OLZOCXBDSA-N -1 1 351.472 2.096 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833994562 606093817 /nfs/dbraw/zinc/09/38/17/606093817.db2.gz FLMYOSKNCIANKP-KBPBESRZSA-N -1 1 361.446 2.311 20 0 FEADMM Cc1ccccc1CN(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822356468 606138526 /nfs/dbraw/zinc/13/85/26/606138526.db2.gz UGPKMQLPHNJKGP-UHFFFAOYSA-N -1 1 371.422 2.052 20 0 FEADMM Cc1ccccc1CN(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822356468 606138528 /nfs/dbraw/zinc/13/85/28/606138528.db2.gz UGPKMQLPHNJKGP-UHFFFAOYSA-N -1 1 371.422 2.052 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCCc3ccccc32)n1 ZINC000822614666 606162997 /nfs/dbraw/zinc/16/29/97/606162997.db2.gz PHGRTWHELJHTKA-CQSZACIVSA-N -1 1 352.402 2.189 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCCc3ccccc32)n1 ZINC000822614666 606163000 /nfs/dbraw/zinc/16/30/00/606163000.db2.gz PHGRTWHELJHTKA-CQSZACIVSA-N -1 1 352.402 2.189 20 0 FEADMM CCCN(Cc1ccc(C)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821109839 606164955 /nfs/dbraw/zinc/16/49/55/606164955.db2.gz QUADTTFNEWAWOK-UHFFFAOYSA-N -1 1 354.418 2.353 20 0 FEADMM CCCN(Cc1ccc(C)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821109839 606164956 /nfs/dbraw/zinc/16/49/56/606164956.db2.gz QUADTTFNEWAWOK-UHFFFAOYSA-N -1 1 354.418 2.353 20 0 FEADMM CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820177876 606167687 /nfs/dbraw/zinc/16/76/87/606167687.db2.gz BWXLZMZERZLQPD-NSHDSACASA-N -1 1 370.417 2.270 20 0 FEADMM CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820177876 606167688 /nfs/dbraw/zinc/16/76/88/606167688.db2.gz BWXLZMZERZLQPD-NSHDSACASA-N -1 1 370.417 2.270 20 0 FEADMM CO[C@H](C)c1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cs1 ZINC000821675998 606172095 /nfs/dbraw/zinc/17/20/95/606172095.db2.gz YQNRYOGWTJXCHN-SNVBAGLBSA-N -1 1 368.422 2.394 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726990 606188274 /nfs/dbraw/zinc/18/82/74/606188274.db2.gz DZWPSEVGBSUDRI-HWPZZCPQSA-N -1 1 352.373 2.454 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726990 606188276 /nfs/dbraw/zinc/18/82/76/606188276.db2.gz DZWPSEVGBSUDRI-HWPZZCPQSA-N -1 1 352.373 2.454 20 0 FEADMM COCc1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2o1 ZINC000821696376 606190467 /nfs/dbraw/zinc/19/04/67/606190467.db2.gz AOCYAQRCZVIUHQ-UHFFFAOYSA-N -1 1 356.367 2.468 20 0 FEADMM COCc1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2o1 ZINC000821696376 606190468 /nfs/dbraw/zinc/19/04/68/606190468.db2.gz AOCYAQRCZVIUHQ-UHFFFAOYSA-N -1 1 356.367 2.468 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000822328403 606238233 /nfs/dbraw/zinc/23/82/33/606238233.db2.gz PANYHCVQOBPMFI-NSHDSACASA-N -1 1 358.427 2.370 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000822328403 606238235 /nfs/dbraw/zinc/23/82/35/606238235.db2.gz PANYHCVQOBPMFI-NSHDSACASA-N -1 1 358.427 2.370 20 0 FEADMM CSc1nc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c2ccccn21 ZINC000559254674 674533878 /nfs/dbraw/zinc/53/38/78/674533878.db2.gz NYUHJQDZLXWZAE-JTQLQIEISA-N -1 1 359.411 2.165 20 0 FEADMM O=C(COc1ccc(F)cc1Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823040079 606294526 /nfs/dbraw/zinc/29/45/26/606294526.db2.gz CBVMLGXQCWDSHL-UHFFFAOYSA-N -1 1 363.736 2.382 20 0 FEADMM CCCN(CC)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000821094049 606296237 /nfs/dbraw/zinc/29/62/37/606296237.db2.gz BRFPYLPIDMAMQY-UHFFFAOYSA-N -1 1 367.413 2.456 20 0 FEADMM O=C(Nc1ccnn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823375629 606496528 /nfs/dbraw/zinc/49/65/28/606496528.db2.gz CDWCCJPDTSCOBJ-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1ccnn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823375629 606496530 /nfs/dbraw/zinc/49/65/30/606496530.db2.gz CDWCCJPDTSCOBJ-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821777632 606505619 /nfs/dbraw/zinc/50/56/19/606505619.db2.gz JZDQGUBRJRQHTN-SECBINFHSA-N -1 1 359.411 2.436 20 0 FEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821777632 606505621 /nfs/dbraw/zinc/50/56/21/606505621.db2.gz JZDQGUBRJRQHTN-SECBINFHSA-N -1 1 359.411 2.436 20 0 FEADMM COc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821777633 606505798 /nfs/dbraw/zinc/50/57/98/606505798.db2.gz JZDQGUBRJRQHTN-VIFPVBQESA-N -1 1 359.411 2.436 20 0 FEADMM COc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821777633 606505800 /nfs/dbraw/zinc/50/58/00/606505800.db2.gz JZDQGUBRJRQHTN-VIFPVBQESA-N -1 1 359.411 2.436 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000820391439 606512852 /nfs/dbraw/zinc/51/28/52/606512852.db2.gz PXKVSGLEAKEDJQ-SECBINFHSA-N -1 1 368.422 2.304 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000820391439 606512853 /nfs/dbraw/zinc/51/28/53/606512853.db2.gz PXKVSGLEAKEDJQ-SECBINFHSA-N -1 1 368.422 2.304 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000820391440 606513030 /nfs/dbraw/zinc/51/30/30/606513030.db2.gz PXKVSGLEAKEDJQ-VIFPVBQESA-N -1 1 368.422 2.304 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000820391440 606513032 /nfs/dbraw/zinc/51/30/32/606513032.db2.gz PXKVSGLEAKEDJQ-VIFPVBQESA-N -1 1 368.422 2.304 20 0 FEADMM O=C(Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1)NC1CC1 ZINC000823350151 606516219 /nfs/dbraw/zinc/51/62/19/606516219.db2.gz AWKMYYKINQBOMQ-UHFFFAOYSA-N -1 1 369.410 2.464 20 0 FEADMM O=C(Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1)NC1CC1 ZINC000823350151 606516222 /nfs/dbraw/zinc/51/62/22/606516222.db2.gz AWKMYYKINQBOMQ-UHFFFAOYSA-N -1 1 369.410 2.464 20 0 FEADMM O=C(NCCCOCCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823191872 606516352 /nfs/dbraw/zinc/51/63/52/606516352.db2.gz QXKZICSNZDMQOF-UHFFFAOYSA-N -1 1 357.439 2.307 20 0 FEADMM O=C(NCCCOCCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823191872 606516354 /nfs/dbraw/zinc/51/63/54/606516354.db2.gz QXKZICSNZDMQOF-UHFFFAOYSA-N -1 1 357.439 2.307 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358680 606547176 /nfs/dbraw/zinc/54/71/76/606547176.db2.gz KBJGDACRXSGCKB-LSDHHAIUSA-N -1 1 358.446 2.318 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358680 606547178 /nfs/dbraw/zinc/54/71/78/606547178.db2.gz KBJGDACRXSGCKB-LSDHHAIUSA-N -1 1 358.446 2.318 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000823435890 606648977 /nfs/dbraw/zinc/64/89/77/606648977.db2.gz CSGAARZTZGZTCJ-IFXJQAMLSA-N -1 1 363.377 2.045 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000823435890 606648978 /nfs/dbraw/zinc/64/89/78/606648978.db2.gz CSGAARZTZGZTCJ-IFXJQAMLSA-N -1 1 363.377 2.045 20 0 FEADMM c1csc([C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000823815996 606726813 /nfs/dbraw/zinc/72/68/13/606726813.db2.gz NHVMKFVHHFXHIO-ZDUSSCGKSA-N -1 1 365.422 2.449 20 0 FEADMM c1csc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000823815996 606726814 /nfs/dbraw/zinc/72/68/14/606726814.db2.gz NHVMKFVHHFXHIO-ZDUSSCGKSA-N -1 1 365.422 2.449 20 0 FEADMM CCC1(CC)CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820958465 606744401 /nfs/dbraw/zinc/74/44/01/606744401.db2.gz VOSLJFNRNFEDCA-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM O=C(OCc1cccc(-n2cccn2)c1)c1sccc1-c1nn[n-]n1 ZINC000823431772 606751707 /nfs/dbraw/zinc/75/17/07/606751707.db2.gz WLAUTMOIWRCUDO-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821242843 606763200 /nfs/dbraw/zinc/76/32/00/606763200.db2.gz WXMJJBQCQXEZNZ-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000822614869 606772501 /nfs/dbraw/zinc/77/25/01/606772501.db2.gz VRTIITSZBIOWHM-LBPRGKRZSA-N -1 1 368.401 2.024 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000822614869 606772502 /nfs/dbraw/zinc/77/25/02/606772502.db2.gz VRTIITSZBIOWHM-LBPRGKRZSA-N -1 1 368.401 2.024 20 0 FEADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000823583669 606780243 /nfs/dbraw/zinc/78/02/43/606780243.db2.gz XPUGKTJZZCUYSP-UHFFFAOYSA-N -1 1 359.415 2.048 20 0 FEADMM CCOC(=O)c1sc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)nc1C ZINC000821345997 606804832 /nfs/dbraw/zinc/80/48/32/606804832.db2.gz BVQUYZMURGQHEF-SECBINFHSA-N -1 1 359.415 2.376 20 0 FEADMM CCOC(=O)c1sc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)nc1C ZINC000821345997 606804833 /nfs/dbraw/zinc/80/48/33/606804833.db2.gz BVQUYZMURGQHEF-SECBINFHSA-N -1 1 359.415 2.376 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccccc1Br ZINC000823382851 607025589 /nfs/dbraw/zinc/02/55/89/607025589.db2.gz FBWTWARUASVCSE-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccccc1Br ZINC000823382851 607025590 /nfs/dbraw/zinc/02/55/90/607025590.db2.gz FBWTWARUASVCSE-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM CCc1cc(C)c(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000821470221 607157051 /nfs/dbraw/zinc/15/70/51/607157051.db2.gz OJGDURPNDIUTJY-UHFFFAOYSA-N -1 1 373.369 2.336 20 0 FEADMM CCOc1ccccc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825654012 607865056 /nfs/dbraw/zinc/86/50/56/607865056.db2.gz MPAPVHRRJJUIIF-UHFFFAOYSA-N -1 1 357.345 2.422 20 0 FEADMM CCOc1ccccc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825654012 607865057 /nfs/dbraw/zinc/86/50/57/607865057.db2.gz MPAPVHRRJJUIIF-UHFFFAOYSA-N -1 1 357.345 2.422 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826493355 607867968 /nfs/dbraw/zinc/86/79/68/607867968.db2.gz GYQVGYZNXBWZFY-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826493355 607867969 /nfs/dbraw/zinc/86/79/69/607867969.db2.gz GYQVGYZNXBWZFY-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825133100 607912352 /nfs/dbraw/zinc/91/23/52/607912352.db2.gz JCFDBMANDACMOZ-STQMWFEESA-N -1 1 370.413 2.246 20 0 FEADMM CC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825133100 607912353 /nfs/dbraw/zinc/91/23/53/607912353.db2.gz JCFDBMANDACMOZ-STQMWFEESA-N -1 1 370.413 2.246 20 0 FEADMM FC(F)Oc1cccc([C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)c1 ZINC000826370527 607969193 /nfs/dbraw/zinc/96/91/93/607969193.db2.gz XCCDTZZVXHVUQJ-CQSZACIVSA-N -1 1 374.351 2.441 20 0 FEADMM FC(F)Oc1cccc([C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)c1 ZINC000826370527 607969194 /nfs/dbraw/zinc/96/91/94/607969194.db2.gz XCCDTZZVXHVUQJ-CQSZACIVSA-N -1 1 374.351 2.441 20 0 FEADMM Oc1cccc([C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)c1 ZINC000826511093 608016659 /nfs/dbraw/zinc/01/66/59/608016659.db2.gz BRBMSSFOBGCNCF-JTQLQIEISA-N -1 1 364.818 2.260 20 0 FEADMM Oc1cccc([C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)c1 ZINC000826511093 608016660 /nfs/dbraw/zinc/01/66/60/608016660.db2.gz BRBMSSFOBGCNCF-JTQLQIEISA-N -1 1 364.818 2.260 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000826493241 608057015 /nfs/dbraw/zinc/05/70/15/608057015.db2.gz ANTROEMRGYLADN-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(N[C@H]1CC12CCCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488015 608156804 /nfs/dbraw/zinc/15/68/04/608156804.db2.gz GRNSKAZVWKCPJL-LBPRGKRZSA-N -1 1 351.407 2.007 20 0 FEADMM O=S(=O)(N[C@H]1CC12CCCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488015 608156805 /nfs/dbraw/zinc/15/68/05/608156805.db2.gz GRNSKAZVWKCPJL-LBPRGKRZSA-N -1 1 351.407 2.007 20 0 FEADMM Cc1ccc(NC(=O)CN(C)c2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826290692 608170987 /nfs/dbraw/zinc/17/09/87/608170987.db2.gz VNZPCKFJUFGEKG-UHFFFAOYSA-N -1 1 363.834 2.360 20 0 FEADMM Cc1ccc(NC(=O)CN(C)c2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826290692 608170989 /nfs/dbraw/zinc/17/09/89/608170989.db2.gz VNZPCKFJUFGEKG-UHFFFAOYSA-N -1 1 363.834 2.360 20 0 FEADMM CC[C@H]1CC[C@@H](C)N1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825193363 608245667 /nfs/dbraw/zinc/24/56/67/608245667.db2.gz LDPMHHJJYVQINC-MFKMUULPSA-N -1 1 358.446 2.306 20 0 FEADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826189328 608247600 /nfs/dbraw/zinc/24/76/00/608247600.db2.gz SXYVAMAAWLEQRH-BONVTDFDSA-N -1 1 373.438 2.443 20 0 FEADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826189328 608247602 /nfs/dbraw/zinc/24/76/02/608247602.db2.gz SXYVAMAAWLEQRH-BONVTDFDSA-N -1 1 373.438 2.443 20 0 FEADMM CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccccc1 ZINC000825796751 608393159 /nfs/dbraw/zinc/39/31/59/608393159.db2.gz MAXNKTPRDWXZTH-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccccc1 ZINC000825796751 608393161 /nfs/dbraw/zinc/39/31/61/608393161.db2.gz MAXNKTPRDWXZTH-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM Clc1ccc2[nH]c3c(c2c1)CN(c1ccc(-c2nnn[n-]2)nn1)CC3 ZINC000826352612 608401818 /nfs/dbraw/zinc/40/18/18/608401818.db2.gz HUQYARQCEZUOAU-UHFFFAOYSA-N -1 1 352.789 2.354 20 0 FEADMM Clc1ccc2[nH]c3c(c2c1)CN(c1ccc(-c2nn[n-]n2)nn1)CC3 ZINC000826352612 608401820 /nfs/dbraw/zinc/40/18/20/608401820.db2.gz HUQYARQCEZUOAU-UHFFFAOYSA-N -1 1 352.789 2.354 20 0 FEADMM Clc1cccc(OCCNc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC000826353401 608403823 /nfs/dbraw/zinc/40/38/23/608403823.db2.gz NMOBBKSGHFPZAJ-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM Clc1cccc(OCCNc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC000826353401 608403824 /nfs/dbraw/zinc/40/38/24/608403824.db2.gz NMOBBKSGHFPZAJ-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824108251 608424045 /nfs/dbraw/zinc/42/40/45/608424045.db2.gz DHOPXVGQLGWUHR-NWDGAFQWSA-N -1 1 374.449 2.152 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824108251 608424046 /nfs/dbraw/zinc/42/40/46/608424046.db2.gz DHOPXVGQLGWUHR-NWDGAFQWSA-N -1 1 374.449 2.152 20 0 FEADMM O=C(CCC(=O)c1cccc(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826405843 608453866 /nfs/dbraw/zinc/45/38/66/608453866.db2.gz WMAUYJYYMCCNSO-UHFFFAOYSA-N -1 1 355.329 2.107 20 0 FEADMM O=C(CCC(=O)c1cccc(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826405843 608453868 /nfs/dbraw/zinc/45/38/68/608453868.db2.gz WMAUYJYYMCCNSO-UHFFFAOYSA-N -1 1 355.329 2.107 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825494293 608689267 /nfs/dbraw/zinc/68/92/67/608689267.db2.gz VKCIVCNSCAYCGV-OAHLLOKOSA-N -1 1 355.398 2.066 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825494293 608689268 /nfs/dbraw/zinc/68/92/68/608689268.db2.gz VKCIVCNSCAYCGV-OAHLLOKOSA-N -1 1 355.398 2.066 20 0 FEADMM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(F)(F)F ZINC000824047315 609287238 /nfs/dbraw/zinc/28/72/38/609287238.db2.gz ZVZWMKUCACRTIJ-ZETCQYMHSA-N -1 1 369.282 2.328 20 0 FEADMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1C ZINC000826282505 609312988 /nfs/dbraw/zinc/31/29/88/609312988.db2.gz RHSAORNDAGHBNL-UHFFFAOYSA-N -1 1 366.360 2.091 20 0 FEADMM COc1cccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn[n-]4)s3)c21 ZINC000826217558 609334288 /nfs/dbraw/zinc/33/42/88/609334288.db2.gz RZVHVAVHVIDPQG-UHFFFAOYSA-N -1 1 368.422 2.391 20 0 FEADMM COc1cccc2[nH]cc(CCNC(=O)c3ccc(-c4nn[n-]n4)s3)c21 ZINC000826217558 609334290 /nfs/dbraw/zinc/33/42/90/609334290.db2.gz RZVHVAVHVIDPQG-UHFFFAOYSA-N -1 1 368.422 2.391 20 0 FEADMM CC1(C)C[C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824795763 609355670 /nfs/dbraw/zinc/35/56/70/609355670.db2.gz CTEPWPVPTUMUQL-SNVBAGLBSA-N -1 1 370.392 2.359 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826345486 609472207 /nfs/dbraw/zinc/47/22/07/609472207.db2.gz LZPOIJZBPLZGQX-VIFPVBQESA-N -1 1 360.340 2.189 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826345486 609472210 /nfs/dbraw/zinc/47/22/10/609472210.db2.gz LZPOIJZBPLZGQX-VIFPVBQESA-N -1 1 360.340 2.189 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000810717250 674558679 /nfs/dbraw/zinc/55/86/79/674558679.db2.gz UOGNDSFNWGZAPX-SFHVURJKSA-N -1 1 370.490 2.462 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)n1 ZINC000560017169 674564064 /nfs/dbraw/zinc/56/40/64/674564064.db2.gz SILKNGXPTHBCPV-UHFFFAOYSA-N -1 1 350.322 2.005 20 0 FEADMM COC(=O)c1ccc(Cl)c(C(=O)[N-]N2CCc3ccccc3C2=O)c1 ZINC000810854365 674565293 /nfs/dbraw/zinc/56/52/93/674565293.db2.gz WEHAJPMBXDAUCU-UHFFFAOYSA-N -1 1 358.781 2.470 20 0 FEADMM Cc1cccc(OCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810901880 674567525 /nfs/dbraw/zinc/56/75/25/674567525.db2.gz GJNNZQVWKNDKLD-CYBMUJFWSA-N -1 1 358.360 2.291 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)CCc2ccccc2)C2CCOCC2)n1 ZINC000560324226 674577300 /nfs/dbraw/zinc/57/73/00/674577300.db2.gz VNTFAXHVNCZXJH-INIZCTEOSA-N -1 1 365.455 2.008 20 0 FEADMM COC(=O)CCCO[N-]C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000811560170 674613557 /nfs/dbraw/zinc/61/35/57/674613557.db2.gz WERPBCNZXCCNAZ-INIZCTEOSA-N -1 1 352.406 2.181 20 0 FEADMM O=C(N[C@H]1COc2ccccc2[C@H]1O)c1cc(Br)ccc1[O-] ZINC000811569145 674614492 /nfs/dbraw/zinc/61/44/92/674614492.db2.gz UQERRDGXXNCFQB-SWLSCSKDSA-N -1 1 364.195 2.379 20 0 FEADMM CC[C@@H](CSC)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000561140841 674640787 /nfs/dbraw/zinc/64/07/87/674640787.db2.gz ROSMELBFINUEOX-JTQLQIEISA-N -1 1 361.489 2.330 20 0 FEADMM COCc1ccsc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812278733 674661556 /nfs/dbraw/zinc/66/15/56/674661556.db2.gz ONJURDFJZLRBLZ-SNVBAGLBSA-N -1 1 364.389 2.425 20 0 FEADMM CCc1ccc(O)c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000812278899 674661604 /nfs/dbraw/zinc/66/16/04/674661604.db2.gz JRTTUGUTKNJKLA-GFCCVEGCSA-N -1 1 358.360 2.485 20 0 FEADMM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000561678061 674689698 /nfs/dbraw/zinc/68/96/98/674689698.db2.gz HFUWKLKZNVLOOB-UHFFFAOYSA-N -1 1 356.787 2.380 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)c(F)c1F ZINC000813195837 674726698 /nfs/dbraw/zinc/72/66/98/674726698.db2.gz BMCFHIYQBLUZEM-UHFFFAOYSA-N -1 1 351.334 2.040 20 0 FEADMM CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000562497233 674762637 /nfs/dbraw/zinc/76/26/37/674762637.db2.gz BIOGDGADMILGBW-STQMWFEESA-N -1 1 364.471 2.247 20 0 FEADMM C[C@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccn1 ZINC000813635003 674763498 /nfs/dbraw/zinc/76/34/98/674763498.db2.gz IBVYXJFVMVNXBJ-MNXVOIDGSA-N -1 1 357.376 2.489 20 0 FEADMM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000562545367 674767964 /nfs/dbraw/zinc/76/79/64/674767964.db2.gz DPRXTTYGHBZSLG-LBPRGKRZSA-N -1 1 354.403 2.109 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CC[C@H](c3ccccc3)O2)co1 ZINC000814061014 674814845 /nfs/dbraw/zinc/81/48/45/674814845.db2.gz LUUBUZSNAPHSGN-HUUCEWRRSA-N -1 1 365.407 2.265 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000563399040 674882806 /nfs/dbraw/zinc/88/28/06/674882806.db2.gz UTKQSYXGPSVBGC-GXTWGEPZSA-N -1 1 365.817 2.438 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3sc(Cl)cc32)co1 ZINC000563613114 674917123 /nfs/dbraw/zinc/91/71/23/674917123.db2.gz BHLIJGIWYSKVKG-VIFPVBQESA-N -1 1 360.844 2.320 20 0 FEADMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2nc3ccccc3s2)C1(C)C ZINC000564447405 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CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)o1 ZINC000510415070 673344559 /nfs/dbraw/zinc/34/45/59/673344559.db2.gz RTZXZMHAWXTSAZ-CYBMUJFWSA-N -1 1 365.407 2.128 20 0 FEADMM COC[C@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596022869 673349394 /nfs/dbraw/zinc/34/93/94/673349394.db2.gz XPZBLYPWIJQULO-JTQLQIEISA-N -1 1 369.586 2.134 20 0 FEADMM CC(C)(C)OC(=O)C(C)(C)n1ccc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000596027339 673350442 /nfs/dbraw/zinc/35/04/42/673350442.db2.gz AHAOOKOQKSAFDH-UHFFFAOYSA-N -1 1 372.491 2.103 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)cc1C ZINC000596041495 673352402 /nfs/dbraw/zinc/35/24/02/673352402.db2.gz JJSYBZVWKYIMNW-UHFFFAOYSA-N -1 1 355.416 2.487 20 0 FEADMM C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000613556412 676133726 /nfs/dbraw/zinc/13/37/26/676133726.db2.gz VMNCTUFCERSQCP-ZDBHGNHJSA-N -1 1 367.812 2.403 20 0 FEADMM COCc1nc(C)c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)s1 ZINC000536939380 673381952 /nfs/dbraw/zinc/38/19/52/673381952.db2.gz JPOMMWQZLPDJRU-UHFFFAOYSA-N -1 1 373.431 2.361 20 0 FEADMM CCOC(=O)C(C)(C)C(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000537505721 673392240 /nfs/dbraw/zinc/39/22/40/673392240.db2.gz ASBJBCIUUFITGB-UHFFFAOYSA-N -1 1 352.334 2.452 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1ccsc1)c1ccccc1 ZINC000733144912 673400240 /nfs/dbraw/zinc/40/02/40/673400240.db2.gz QACNCUKHABJMTN-UHFFFAOYSA-N -1 1 355.419 2.222 20 0 FEADMM CCSC1(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000596776623 673411906 /nfs/dbraw/zinc/41/19/06/673411906.db2.gz CYDWNMYYMJJOEB-UHFFFAOYSA-N -1 1 373.500 2.474 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2CCC[C@@H]2OC)ccc1[N-]S(C)(=O)=O ZINC000538197985 673426132 /nfs/dbraw/zinc/42/61/32/673426132.db2.gz DYLFDTRCUWIKJW-FZMZJTMJSA-N -1 1 371.459 2.003 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)Nc2cc3c(cc2F)CCC(=O)N3)c1 ZINC000538298425 673432574 /nfs/dbraw/zinc/43/25/74/673432574.db2.gz MKEVGDKDYSKKFR-UHFFFAOYSA-N -1 1 366.370 2.225 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](COC)c2ccccc2)o1 ZINC000538758209 673456616 /nfs/dbraw/zinc/45/66/16/673456616.db2.gz FPFKINYFEUKCON-ZDUSSCGKSA-N -1 1 353.396 2.122 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000539706402 673502106 /nfs/dbraw/zinc/50/21/06/673502106.db2.gz MBAPLKYYKSAEPS-UHFFFAOYSA-N -1 1 362.407 2.223 20 0 FEADMM Cc1cnc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)c([O-])c1 ZINC000597769496 673505774 /nfs/dbraw/zinc/50/57/74/673505774.db2.gz SOUKLTDTXNCYTC-UHFFFAOYSA-N -1 1 350.415 2.106 20 0 FEADMM COc1csc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000539984695 673517723 /nfs/dbraw/zinc/51/77/23/673517723.db2.gz IWINIZSZNPDBQZ-UHFFFAOYSA-N -1 1 368.436 2.155 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCC(=O)c2c(F)cccc2F)[n-]1 ZINC000598729367 673603917 /nfs/dbraw/zinc/60/39/17/673603917.db2.gz QDWCVBHKDDQKIO-UHFFFAOYSA-N -1 1 351.309 2.466 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCC(=O)c2c(F)cccc2F)n1 ZINC000598729367 673603919 /nfs/dbraw/zinc/60/39/19/673603919.db2.gz QDWCVBHKDDQKIO-UHFFFAOYSA-N -1 1 351.309 2.466 20 0 FEADMM CC[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)c1ccccc1 ZINC000738609272 673623347 /nfs/dbraw/zinc/62/33/47/673623347.db2.gz FNYWHNCMOVHXGJ-GFCCVEGCSA-N -1 1 351.380 2.006 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@](CC)(C(=O)OC)c1ccccc1)C1CC1 ZINC000599228876 673644391 /nfs/dbraw/zinc/64/43/91/673644391.db2.gz LLXXNSYHFRZCJM-WMZOPIPTSA-N -1 1 369.483 2.199 20 0 FEADMM O=C([O-])NC[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000740623245 673649719 /nfs/dbraw/zinc/64/97/19/673649719.db2.gz HBWRYZOGCJNNBD-SECBINFHSA-N -1 1 357.204 2.275 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)OC)C1CC1 ZINC000599294227 673654842 /nfs/dbraw/zinc/65/48/42/673654842.db2.gz DKWHQKUZZCHJJD-HZPDHXFCSA-N -1 1 361.504 2.233 20 0 FEADMM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)cn1 ZINC000599322452 673658768 /nfs/dbraw/zinc/65/87/68/673658768.db2.gz PSPAGFOSTLIIDI-SECBINFHSA-N -1 1 373.381 2.007 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)c1F ZINC000599337856 673660999 /nfs/dbraw/zinc/66/09/99/673660999.db2.gz JPPHPUAKCHXFPI-SNVBAGLBSA-N -1 1 370.377 2.228 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)cc2OC)c1 ZINC000599430267 673675017 /nfs/dbraw/zinc/67/50/17/673675017.db2.gz YKNOOKCMTLXDQS-JTQLQIEISA-N -1 1 369.395 2.123 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c1 ZINC000543861231 673675150 /nfs/dbraw/zinc/67/51/50/673675150.db2.gz JYWCOJCLHHJARP-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(CCC2CCCCC2)no1 ZINC000544149220 673694566 /nfs/dbraw/zinc/69/45/66/673694566.db2.gz MTVOTRDZMMEQDD-UHFFFAOYSA-N -1 1 359.492 2.427 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000544941329 673740974 /nfs/dbraw/zinc/74/09/74/673740974.db2.gz WRLOUOGVNZZXDJ-LRDDRELGSA-N -1 1 366.483 2.269 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cn1C ZINC000546152613 673794457 /nfs/dbraw/zinc/79/44/57/673794457.db2.gz AJAFPDBBCARTNO-UHFFFAOYSA-N -1 1 362.329 2.420 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CS(=O)(=O)C2CCCC2)c1 ZINC000744778788 673810635 /nfs/dbraw/zinc/81/06/35/673810635.db2.gz JUTKPMCQHGOFGE-UHFFFAOYSA-N -1 1 354.424 2.038 20 0 FEADMM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601179170 673831335 /nfs/dbraw/zinc/83/13/35/673831335.db2.gz NOWGBXMPKVZMGP-ZDUSSCGKSA-N -1 1 355.818 2.159 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc([C@H](C)c2cccs2)no1 ZINC000547163544 673834709 /nfs/dbraw/zinc/83/47/09/673834709.db2.gz GXBSRJVSILHOIX-LLVKDONJSA-N -1 1 359.473 2.127 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000547241067 673837437 /nfs/dbraw/zinc/83/74/37/673837437.db2.gz CVGWAWLIEGOBSN-UHFFFAOYSA-N -1 1 367.379 2.057 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@H]1CCC1(F)F)(C(=O)OC)c1ccccc1 ZINC000601340820 673844796 /nfs/dbraw/zinc/84/47/96/673844796.db2.gz XJVIYHZAOWITGO-HIFRSBDPSA-N -1 1 361.410 2.430 20 0 FEADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000614788431 676191471 /nfs/dbraw/zinc/19/14/71/676191471.db2.gz QZUFYLMXTRZOOF-UHFFFAOYSA-N -1 1 361.423 2.181 20 0 FEADMM Cc1nonc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000746109342 673863782 /nfs/dbraw/zinc/86/37/82/673863782.db2.gz NJOVSHOPSSWRJE-UHFFFAOYSA-N -1 1 358.379 2.431 20 0 FEADMM CCn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cc3ccccc3o2)cn1 ZINC000547682205 673880399 /nfs/dbraw/zinc/88/03/99/673880399.db2.gz LRKBQPGALBWIKW-WMLDXEAASA-N -1 1 361.423 2.458 20 0 FEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)Cc2cccc(F)c2)c1OC ZINC000547933654 673906563 /nfs/dbraw/zinc/90/65/63/673906563.db2.gz ZNAXVXNDFVSXTR-UHFFFAOYSA-N -1 1 369.370 2.483 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000747421874 673927745 /nfs/dbraw/zinc/92/77/45/673927745.db2.gz WDXYQUFMOWFVOD-QWHCGFSZSA-N -1 1 363.845 2.231 20 0 FEADMM CCc1nc(SCC(=O)NCC(=O)c2cccs2)[n-]c(=O)c1C ZINC000566747158 675239717 /nfs/dbraw/zinc/23/97/17/675239717.db2.gz CCCFADOFNLQWNM-UHFFFAOYSA-N -1 1 351.453 2.206 20 0 FEADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000567280022 675280940 /nfs/dbraw/zinc/28/09/40/675280940.db2.gz KZMJZXKWYDSDES-JTQLQIEISA-N -1 1 352.412 2.127 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1C(=O)[O-] ZINC000567506423 675298998 /nfs/dbraw/zinc/29/89/98/675298998.db2.gz OLNJQTOKNANGAL-GFCCVEGCSA-N -1 1 372.874 2.205 20 0 FEADMM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c([O-])cccc1Cl ZINC000819551897 675299114 /nfs/dbraw/zinc/29/91/14/675299114.db2.gz MKBUCPZUFWYSJO-SNVBAGLBSA-N -1 1 358.822 2.003 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H](N2CCOCC2)C1 ZINC000615537594 676218211 /nfs/dbraw/zinc/21/82/11/676218211.db2.gz NTXIEPMWAGVXLI-ZDUSSCGKSA-N -1 1 358.360 2.348 20 0 FEADMM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc(F)c1F ZINC000567547839 675301326 /nfs/dbraw/zinc/30/13/26/675301326.db2.gz IEADRNAJEZWBFB-DYVFJYSZSA-N -1 1 353.390 2.409 20 0 FEADMM CCOC(=O)c1cc(NC(=O)CCc2cccc(OC(F)F)c2)n[nH]1 ZINC000567892798 675333368 /nfs/dbraw/zinc/33/33/68/675333368.db2.gz MJEKZKNZWRLVIT-UHFFFAOYSA-N -1 1 353.325 2.759 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CO1 ZINC000567961033 675339363 /nfs/dbraw/zinc/33/93/63/675339363.db2.gz GPRQFNOXYMFFJW-CZUORRHYSA-N -1 1 360.435 2.395 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1C)C1CC1 ZINC000568393608 675370726 /nfs/dbraw/zinc/37/07/26/675370726.db2.gz JAZQJTFXCUCCLC-MRXNPFEDSA-N -1 1 353.419 2.487 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)c2nc(C3CC3)no2)c1 ZINC000820627167 675375253 /nfs/dbraw/zinc/37/52/53/675375253.db2.gz MJBMJAKZGAXGPO-CCGUKBGLSA-N -1 1 350.396 2.368 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCOC3(CCOCC3)C2)c1 ZINC000820632420 675375471 /nfs/dbraw/zinc/37/54/71/675375471.db2.gz LPRWANULTPZECJ-ODCWNRFASA-N -1 1 368.451 2.074 20 0 FEADMM Cc1cnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)[n-]c1=O ZINC000568649493 675389193 /nfs/dbraw/zinc/38/91/93/675389193.db2.gz SMLFAFKICZCISL-JTQLQIEISA-N -1 1 367.452 2.226 20 0 FEADMM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cnn(C)n3)nc(=O)c2c1C ZINC000821031275 675407983 /nfs/dbraw/zinc/40/79/83/675407983.db2.gz HAYJXDVQVDCSMG-YWEYNIOJSA-N -1 1 365.802 2.357 20 0 FEADMM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000821344542 675428638 /nfs/dbraw/zinc/42/86/38/675428638.db2.gz VIUUPSQHJBRLAV-GFCCVEGCSA-N -1 1 353.394 2.021 20 0 FEADMM C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000822349067 675479316 /nfs/dbraw/zinc/47/93/16/675479316.db2.gz TWRQAQRZBWDSCZ-YVSHFGMPSA-N -1 1 354.447 2.130 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC1CCCCCCC1 ZINC000823026773 675523929 /nfs/dbraw/zinc/52/39/29/675523929.db2.gz GMVLMZCRNDMJLF-UHFFFAOYSA-N -1 1 363.443 2.314 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC1CCCCCCC1 ZINC000823026773 675523931 /nfs/dbraw/zinc/52/39/31/675523931.db2.gz GMVLMZCRNDMJLF-UHFFFAOYSA-N -1 1 363.443 2.314 20 0 FEADMM COC[C@H](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)OC ZINC000657050601 677925108 /nfs/dbraw/zinc/92/51/08/677925108.db2.gz KCTBIWXRDFCNOL-VIFPVBQESA-N -1 1 360.234 2.462 20 0 FEADMM CSc1nc(CNC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc(=O)[n-]1 ZINC000824603049 675613081 /nfs/dbraw/zinc/61/30/81/675613081.db2.gz NODGPTYZUGWLTH-VHSXEESVSA-N -1 1 365.377 2.410 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826345382 675686400 /nfs/dbraw/zinc/68/64/00/675686400.db2.gz KDUOJMMSDCIHBK-ZETCQYMHSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1onc(CC(=O)N[C@@H](C)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826345382 675686402 /nfs/dbraw/zinc/68/64/02/675686402.db2.gz KDUOJMMSDCIHBK-ZETCQYMHSA-N -1 1 364.768 2.376 20 0 FEADMM Cc1nc(CC(C)C)c(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)s1 ZINC000826325287 675686437 /nfs/dbraw/zinc/68/64/37/675686437.db2.gz SYGPRPLQBKSBFV-UHFFFAOYSA-N -1 1 361.431 2.308 20 0 FEADMM Cc1nc(CC(C)C)c(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)s1 ZINC000826325287 675686439 /nfs/dbraw/zinc/68/64/39/675686439.db2.gz SYGPRPLQBKSBFV-UHFFFAOYSA-N -1 1 361.431 2.308 20 0 FEADMM Cc1onc(CC(=O)Nc2nc(-c3ccco3)cs2)c1-c1nnn[n-]1 ZINC000826348958 675686749 /nfs/dbraw/zinc/68/67/49/675686749.db2.gz NNGBRHLEVPMHGB-UHFFFAOYSA-N -1 1 357.355 2.061 20 0 FEADMM Cc1onc(CC(=O)Nc2nc(-c3ccco3)cs2)c1-c1nn[n-]n1 ZINC000826348958 675686750 /nfs/dbraw/zinc/68/67/50/675686750.db2.gz NNGBRHLEVPMHGB-UHFFFAOYSA-N -1 1 357.355 2.061 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000826937947 675717266 /nfs/dbraw/zinc/71/72/66/675717266.db2.gz PABBUBNQCFZJCA-NWDGAFQWSA-N -1 1 354.455 2.193 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC(C(C)(C)O)CC2)c(=O)[n-]1 ZINC000827819618 675781157 /nfs/dbraw/zinc/78/11/57/675781157.db2.gz FUFBNJNOKRGOBQ-UHFFFAOYSA-N -1 1 353.488 2.155 20 0 FEADMM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CC=CC1)c1c[nH]nc1Cl ZINC000828199382 675805834 /nfs/dbraw/zinc/80/58/34/675805834.db2.gz ZWBWGEQYOSNHRS-CQSZACIVSA-N -1 1 367.858 2.411 20 0 FEADMM 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Cc1ccc(CO[C@H](C)C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000831116621 679926730 /nfs/dbraw/zinc/92/67/30/679926730.db2.gz CLANUVUSHYOQIH-GFCCVEGCSA-N -1 1 358.360 2.037 20 0 FEADMM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000831129740 679929216 /nfs/dbraw/zinc/92/92/16/679929216.db2.gz CAVVGRNREOYOJR-GFCCVEGCSA-N -1 1 356.375 2.081 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2ccc3c(c2O)CCCC3)C1)C(F)(F)F ZINC000831133797 679929965 /nfs/dbraw/zinc/92/99/65/679929965.db2.gz DLVSYCWSQBFWJD-UHFFFAOYSA-N -1 1 356.344 2.022 20 0 FEADMM CCCOc1cccc(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831140510 679932573 /nfs/dbraw/zinc/93/25/73/679932573.db2.gz ZLAMPAPZJDZHHC-UHFFFAOYSA-N -1 1 358.360 2.155 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2coc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000831145130 679932893 /nfs/dbraw/zinc/93/28/93/679932893.db2.gz QPIXDUICMBMPOK-UHFFFAOYSA-N -1 1 353.300 2.092 20 0 FEADMM COc1cccc2cc(C(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)oc21 ZINC000831154517 679936118 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COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000832187283 680108052 /nfs/dbraw/zinc/10/80/52/680108052.db2.gz JWRYDCFOZMNTHH-QMMMGPOBSA-N -1 1 368.789 2.235 20 0 FEADMM Cc1ccsc1C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001020954306 680120076 /nfs/dbraw/zinc/12/00/76/680120076.db2.gz JVCUJJQATKFTNB-QWHCGFSZSA-N -1 1 357.435 2.144 20 0 FEADMM O=C(CC1CCN(CC(F)(F)F)CC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000874147891 685306452 /nfs/dbraw/zinc/30/64/52/685306452.db2.gz OKKPRYLIUAYLJY-UHFFFAOYSA-N -1 1 359.274 2.426 20 0 FEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(OCC)cc1 ZINC000750953271 680141962 /nfs/dbraw/zinc/14/19/62/680141962.db2.gz RZTZWYWTAUDGEI-UHFFFAOYSA-N -1 1 354.384 2.061 20 0 FEADMM COc1cccc(OCCOC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC000751682189 680193805 /nfs/dbraw/zinc/19/38/05/680193805.db2.gz JLYPONRQFPHCFN-UHFFFAOYSA-N -1 1 371.436 2.364 20 0 FEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)c1ccoc1Cl ZINC000981207599 680221314 /nfs/dbraw/zinc/22/13/14/680221314.db2.gz 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CCn1nc(C)c(C(=O)COC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000837592516 680623707 /nfs/dbraw/zinc/62/37/07/680623707.db2.gz RJXAUXLTWKDLQO-UHFFFAOYSA-N -1 1 368.187 2.114 20 0 FEADMM O=C(NOCC(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000760148787 680678052 /nfs/dbraw/zinc/67/80/52/680678052.db2.gz SDAUDRYAMWDOMJ-UHFFFAOYSA-N -1 1 356.350 2.414 20 0 FEADMM COCc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000766580149 680882114 /nfs/dbraw/zinc/88/21/14/680882114.db2.gz KIOLKQGKPVSWAA-UHFFFAOYSA-N -1 1 373.427 2.176 20 0 FEADMM O=C([N-]OCC(F)(F)F)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000766763769 680887476 /nfs/dbraw/zinc/88/74/76/680887476.db2.gz VFRICMDWMNVEOM-SNVBAGLBSA-N -1 1 350.724 2.299 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C)CCOC2)c(F)cc1Cl ZINC000841511218 680889236 /nfs/dbraw/zinc/88/92/36/680889236.db2.gz RBIPDFOBZFDEOB-AWEZNQCLSA-N -1 1 365.810 2.113 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(O)c2F)c(F)cc1F ZINC000768049868 680936131 /nfs/dbraw/zinc/93/61/31/680936131.db2.gz 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/nfs/dbraw/zinc/70/81/29/888708129.db2.gz QYGCUKBAGCFZNG-CYBMUJFWSA-N -1 1 366.381 2.329 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C[C@@H](C)O1 ZINC000908770265 939317805 /nfs/dbraw/zinc/31/78/05/939317805.db2.gz JBINGKVYQZFALP-INMHGKMJSA-N -1 1 369.506 2.209 20 0 FEADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910936125 939759726 /nfs/dbraw/zinc/75/97/26/939759726.db2.gz MHSMLBUMUXPQBA-KBXCAEBGSA-N -1 1 356.422 2.050 20 0 FEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)s1 ZINC000819899833 675321651 /nfs/dbraw/zinc/32/16/51/675321651.db2.gz CZFQPBNFMDUVHM-ZETCQYMHSA-N -1 1 361.832 2.018 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4n[nH]cc4c3)ccc21 ZINC000007320641 539455271 /nfs/dbraw/zinc/45/52/71/539455271.db2.gz PUEBAJFEKZKQLO-UHFFFAOYSA-N -1 1 356.407 2.273 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000015243656 539614593 /nfs/dbraw/zinc/61/45/93/539614593.db2.gz MNTIKNLDVIWDKM-UHFFFAOYSA-N -1 1 351.380 2.291 20 0 FEADMM CCn1c(SCC(=O)[N-]C(=O)c2ccc(OC)cc2)nnc1C1CC1 ZINC000017769550 539643371 /nfs/dbraw/zinc/64/33/71/539643371.db2.gz LLBADPRSPVIMNN-UHFFFAOYSA-N -1 1 360.439 2.233 20 0 FEADMM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000024484609 539732564 /nfs/dbraw/zinc/73/25/64/539732564.db2.gz FNISCVJFBOUJOF-UHFFFAOYSA-N -1 1 373.352 2.412 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc(C)c1F ZINC000549935985 674073675 /nfs/dbraw/zinc/07/36/75/674073675.db2.gz IGMWEGGAWJXGBJ-UHFFFAOYSA-N -1 1 365.386 2.052 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)NC(N)=O)c1 ZINC000549943535 674074550 /nfs/dbraw/zinc/07/45/50/674074550.db2.gz FELQSCGXFZDMJE-UHFFFAOYSA-N -1 1 367.814 2.258 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000028195906 539827357 /nfs/dbraw/zinc/82/73/57/539827357.db2.gz NMBCMBCYOMFCJY-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000028258449 539828922 /nfs/dbraw/zinc/82/89/22/539828922.db2.gz TZGBMOOYZFKCGS-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1C ZINC000028250037 539829231 /nfs/dbraw/zinc/82/92/31/539829231.db2.gz RZAKBKKXMYPGLS-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000029048931 539841677 /nfs/dbraw/zinc/84/16/77/539841677.db2.gz ZHXNSHCLTHVXIJ-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000029534744 539856072 /nfs/dbraw/zinc/85/60/72/539856072.db2.gz HFCHORZUDLNMOZ-SFHVURJKSA-N -1 1 354.406 2.025 20 0 FEADMM COc1cc(NC(=O)CCc2ccccc2O)ccc1[N-]S(C)(=O)=O ZINC000029968674 539870930 /nfs/dbraw/zinc/87/09/30/539870930.db2.gz DTGPEVKLKPKIJO-UHFFFAOYSA-N -1 1 364.423 2.344 20 0 FEADMM COc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000029817498 539865174 /nfs/dbraw/zinc/86/51/74/539865174.db2.gz AMGONVXJOOXUOJ-UHFFFAOYSA-N -1 1 363.439 2.385 20 0 FEADMM CCOCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000032146931 539929820 /nfs/dbraw/zinc/92/98/20/539929820.db2.gz LPOMPXBWZZWEAT-UHFFFAOYSA-N -1 1 363.439 2.039 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1F ZINC000032590900 539943582 /nfs/dbraw/zinc/94/35/82/539943582.db2.gz SNCOXNYXSKKEKV-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)o1 ZINC000032948452 539961222 /nfs/dbraw/zinc/96/12/22/539961222.db2.gz QVNLIQAAFUIOBG-CQSZACIVSA-N -1 1 365.455 2.284 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)c1Cl ZINC000045797322 540228507 /nfs/dbraw/zinc/22/85/07/540228507.db2.gz HRPKIWSCFCDWOR-LBPRGKRZSA-N -1 1 372.878 2.172 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C(C1CC1)C1CC1 ZINC000050681897 540410138 /nfs/dbraw/zinc/41/01/38/540410138.db2.gz NCYZOZQPLLZXAJ-UHFFFAOYSA-N -1 1 352.438 2.330 20 0 FEADMM NC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000055594487 540662666 /nfs/dbraw/zinc/66/26/66/540662666.db2.gz NZDNBWSAFYMXAE-UHFFFAOYSA-N -1 1 354.815 2.395 20 0 FEADMM NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000055580495 540660756 /nfs/dbraw/zinc/66/07/56/540660756.db2.gz DOAHSMVGJPDYLF-UHFFFAOYSA-N -1 1 374.422 2.253 20 0 FEADMM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000055584107 540661673 /nfs/dbraw/zinc/66/16/73/540661673.db2.gz PECJZUWUPIALDM-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000055616718 540663985 /nfs/dbraw/zinc/66/39/85/540663985.db2.gz NFAAHXZTBWTFJS-UHFFFAOYSA-N -1 1 360.395 2.006 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1F ZINC000055618912 540664433 /nfs/dbraw/zinc/66/44/33/540664433.db2.gz IUCCXYBUZVYIES-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1F ZINC000055682129 540670141 /nfs/dbraw/zinc/67/01/41/540670141.db2.gz GFKQZCXTHULPSP-UHFFFAOYSA-N -1 1 356.350 2.182 20 0 FEADMM COc1ccccc1OC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000056232914 540712896 /nfs/dbraw/zinc/71/28/96/540712896.db2.gz SYYHCHJYKZHLOL-UHFFFAOYSA-N -1 1 351.362 2.297 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1C ZINC000058497516 540845941 /nfs/dbraw/zinc/84/59/41/540845941.db2.gz LISMEEMDNPNQSJ-UHFFFAOYSA-N -1 1 369.464 2.349 20 0 FEADMM CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000060168742 540869853 /nfs/dbraw/zinc/86/98/53/540869853.db2.gz AZQWZFKNENLDNL-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2n(C)c1=O ZINC000064477791 541207265 /nfs/dbraw/zinc/20/72/65/541207265.db2.gz ULVPAWNDQBOOGL-UHFFFAOYSA-N -1 1 369.805 2.470 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000066086221 541281346 /nfs/dbraw/zinc/28/13/46/541281346.db2.gz ZNHBCFIWAIRPTL-UHFFFAOYSA-N -1 1 365.393 2.437 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000065833848 541265411 /nfs/dbraw/zinc/26/54/11/541265411.db2.gz PAJWERHOPKPBSI-UHFFFAOYSA-N -1 1 353.400 2.146 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cc(OC)ccc2Br)cn1 ZINC000066584565 541342135 /nfs/dbraw/zinc/34/21/35/541342135.db2.gz KPMOQOZUSXQUEY-UHFFFAOYSA-N -1 1 360.233 2.475 20 0 FEADMM CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638357 541352967 /nfs/dbraw/zinc/35/29/67/541352967.db2.gz VGQCXTMWBFNXRD-GFCCVEGCSA-N -1 1 351.476 2.073 20 0 FEADMM Cc1cccc(C(=O)N[C@@H](C)C(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000066650037 541355464 /nfs/dbraw/zinc/35/54/64/541355464.db2.gz VRLJVCGFUBXYES-LBPRGKRZSA-N -1 1 361.471 2.265 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)Cc2ccccc21 ZINC000067027390 541408366 /nfs/dbraw/zinc/40/83/66/541408366.db2.gz HYGUOYLWOBGOMB-GFCCVEGCSA-N -1 1 350.422 2.407 20 0 FEADMM CC(C)n1c(CCNC(=O)CN2CCc3sccc3C2)n[n-]c1=S ZINC000067073025 541414161 /nfs/dbraw/zinc/41/41/61/541414161.db2.gz VHNWMMBNTWEVED-UHFFFAOYSA-N -1 1 365.528 2.300 20 0 FEADMM CCn1c(CCNC(=O)Cc2c[nH]c3ccc(OC)cc23)n[n-]c1=S ZINC000067077912 541414682 /nfs/dbraw/zinc/41/46/82/541414682.db2.gz WHEDTXBAPHWENJ-UHFFFAOYSA-N -1 1 359.455 2.352 20 0 FEADMM CC(C)n1c(CCNC(=O)c2ccc(N3CCCC3)nc2)n[n-]c1=S ZINC000067074588 541415171 /nfs/dbraw/zinc/41/51/71/541415171.db2.gz WZEPYPDRAPFZGL-UHFFFAOYSA-N -1 1 360.487 2.489 20 0 FEADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000067542212 541477945 /nfs/dbraw/zinc/47/79/45/541477945.db2.gz MGMPEIVCYYTDIJ-KGLIPLIRSA-N -1 1 370.453 2.492 20 0 FEADMM C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426955 541590002 /nfs/dbraw/zinc/59/00/02/541590002.db2.gz DHBYMOWAYSLCBZ-LBPRGKRZSA-N -1 1 374.466 2.464 20 0 FEADMM O=C(NCCCOC[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000068532117 541604342 /nfs/dbraw/zinc/60/43/42/541604342.db2.gz WOISTKIOIKAPAV-GFCCVEGCSA-N -1 1 358.232 2.470 20 0 FEADMM COC(=O)CCSCCNC(=O)c1cc(Br)ccc1[O-] ZINC000070985478 541756766 /nfs/dbraw/zinc/75/67/66/541756766.db2.gz FDEQRPQNPQYXBR-UHFFFAOYSA-N -1 1 362.245 2.181 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cc1C ZINC000070953538 541754837 /nfs/dbraw/zinc/75/48/37/541754837.db2.gz MQSQSKPKSCMVFY-UHFFFAOYSA-N -1 1 360.435 2.480 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000007056040 204288212 /nfs/dbraw/zinc/28/82/12/204288212.db2.gz KUWWMALHEFTLMD-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000007709523 204304187 /nfs/dbraw/zinc/30/41/87/204304187.db2.gz RPJXFWDUWCAVRQ-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000007784556 204306795 /nfs/dbraw/zinc/30/67/95/204306795.db2.gz LAQDMAGRSWCJHN-UHFFFAOYSA-N -1 1 370.430 2.165 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)c1 ZINC000055686770 205222656 /nfs/dbraw/zinc/22/26/56/205222656.db2.gz HUTNGMJNNFNMFQ-UHFFFAOYSA-N -1 1 356.407 2.330 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)o1 ZINC000057392563 205239017 /nfs/dbraw/zinc/23/90/17/205239017.db2.gz QKQFOOZYJAZJBY-UHFFFAOYSA-N -1 1 364.301 2.181 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccnc(F)c2)c1 ZINC000109388354 206055517 /nfs/dbraw/zinc/05/55/17/206055517.db2.gz LMANRJLPBXLHCS-UHFFFAOYSA-N -1 1 367.402 2.209 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nc(C)c(C)s2)c(=O)[n-]1 ZINC000075334542 542169772 /nfs/dbraw/zinc/16/97/72/542169772.db2.gz RCLZWASBUHXSNX-UHFFFAOYSA-N -1 1 352.485 2.123 20 0 FEADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)COC4)ccc21 ZINC000075444776 542180337 /nfs/dbraw/zinc/18/03/37/542180337.db2.gz CAIFMOVUQWNTHU-UHFFFAOYSA-N -1 1 358.419 2.427 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CO)cc1 ZINC000075576871 542190115 /nfs/dbraw/zinc/19/01/15/542190115.db2.gz JFCWHTCSHWGZNG-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(F)c1F ZINC000075941177 542216544 /nfs/dbraw/zinc/21/65/44/542216544.db2.gz ARYHCKOJDUEJAQ-VIFPVBQESA-N -1 1 358.332 2.127 20 0 FEADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccn1 ZINC000077888448 542430153 /nfs/dbraw/zinc/43/01/53/542430153.db2.gz DAHXPYXRUCGYCU-UHFFFAOYSA-N -1 1 357.794 2.377 20 0 FEADMM Cn1ccnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1=O ZINC000078335852 542456312 /nfs/dbraw/zinc/45/63/12/542456312.db2.gz WJJXGNNIDRAKGK-UHFFFAOYSA-N -1 1 357.391 2.373 20 0 FEADMM Cc1noc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000078964683 542490738 /nfs/dbraw/zinc/49/07/38/542490738.db2.gz JSRZTVVANLJENY-UHFFFAOYSA-N -1 1 358.379 2.431 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)ccc1F ZINC000083577478 542698319 /nfs/dbraw/zinc/69/83/19/542698319.db2.gz LHNNFHXRKPVRMN-UHFFFAOYSA-N -1 1 362.386 2.472 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c(C)c1 ZINC000083577513 542699234 /nfs/dbraw/zinc/69/92/34/542699234.db2.gz VHAQDBBFSHNLNM-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)CC1CCC1)c1noc(C)n1 ZINC000092993497 542900472 /nfs/dbraw/zinc/90/04/72/542900472.db2.gz KTPNKZZAVMDATP-HNNXBMFYSA-N -1 1 351.428 2.196 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)o1 ZINC000093061144 542906257 /nfs/dbraw/zinc/90/62/57/542906257.db2.gz LHXPWOMHEDOARM-ZDUSSCGKSA-N -1 1 352.387 2.134 20 0 FEADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000094137205 542953827 /nfs/dbraw/zinc/95/38/27/542953827.db2.gz GSRQCGQDHIUMDB-VIFPVBQESA-N -1 1 364.261 2.050 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000098052316 543019416 /nfs/dbraw/zinc/01/94/16/543019416.db2.gz AQQVDZPLKWOTNI-UHFFFAOYSA-N -1 1 360.420 2.105 20 0 FEADMM O=C(CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)N1CCCCCC1 ZINC000108592810 543296228 /nfs/dbraw/zinc/29/62/28/543296228.db2.gz UYBQODGQBJLFEQ-UHFFFAOYSA-N -1 1 368.503 2.104 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)C(=O)Nc1ccccc1)c2=O ZINC000112115934 543430990 /nfs/dbraw/zinc/43/09/90/543430990.db2.gz OPGFOURKUATDLB-GFCCVEGCSA-N -1 1 350.378 2.401 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)C(=O)Nc3ccccc3)cnc2n1 ZINC000112115934 543430994 /nfs/dbraw/zinc/43/09/94/543430994.db2.gz OPGFOURKUATDLB-GFCCVEGCSA-N -1 1 350.378 2.401 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4nccnc4c3)cc21 ZINC000115312096 543559629 /nfs/dbraw/zinc/55/96/29/543559629.db2.gz TZLJJCZLLMPUCC-UHFFFAOYSA-N -1 1 368.418 2.340 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)cc1F ZINC000122812927 543725264 /nfs/dbraw/zinc/72/52/64/543725264.db2.gz ZZJJUTKGNOXSAN-UHFFFAOYSA-N -1 1 364.398 2.263 20 0 FEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123280896 543752637 /nfs/dbraw/zinc/75/26/37/543752637.db2.gz HEGZIXDRNYAOQB-JKSUJKDBSA-N -1 1 374.485 2.234 20 0 FEADMM C[C@@H](CN(C)C(=O)CSCc1coc(-c2ccccc2)n1)c1nn[n-]n1 ZINC000124386584 543817954 /nfs/dbraw/zinc/81/79/54/543817954.db2.gz NWSGIIOODPDBQA-LBPRGKRZSA-N -1 1 372.454 2.350 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)N(C)C[C@H](C)c3nn[n-]n3)cs2)cc1 ZINC000123974893 543794124 /nfs/dbraw/zinc/79/41/24/543794124.db2.gz LLAVLHRFJKLNBY-LBPRGKRZSA-N -1 1 356.455 2.436 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2cccc(C)c2)co1 ZINC000124085644 543800275 /nfs/dbraw/zinc/80/02/75/543800275.db2.gz AUZZSVREURYTEH-UHFFFAOYSA-N -1 1 350.440 2.204 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(CCc2ccccc2)n1)c1nn[n-]n1 ZINC000124674210 543836043 /nfs/dbraw/zinc/83/60/43/543836043.db2.gz QPBNXOWARNGNMP-LBPRGKRZSA-N -1 1 356.455 2.317 20 0 FEADMM O=S(=O)(Cc1nc(C2CC2)no1)c1n[n-]c(CCC2CCCC2)n1 ZINC000126548734 543942944 /nfs/dbraw/zinc/94/29/44/543942944.db2.gz CURDVWZXPCPELW-UHFFFAOYSA-N -1 1 351.432 2.162 20 0 FEADMM C[C@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000126816268 543958008 /nfs/dbraw/zinc/95/80/08/543958008.db2.gz XAXOBRUEANYYMK-GFCCVEGCSA-N -1 1 366.414 2.079 20 0 FEADMM CCc1ncc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cn1 ZINC000127317387 543985414 /nfs/dbraw/zinc/98/54/14/543985414.db2.gz FKMDYFGICGKLKX-UHFFFAOYSA-N -1 1 364.409 2.064 20 0 FEADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000128117560 544033690 /nfs/dbraw/zinc/03/36/90/544033690.db2.gz DUXIDWRREBJSCA-GFCCVEGCSA-N -1 1 367.331 2.298 20 0 FEADMM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1=O ZINC000128121643 544034357 /nfs/dbraw/zinc/03/43/57/544034357.db2.gz XONUVRWOIGNWGF-ONGXEEELSA-N -1 1 367.331 2.372 20 0 FEADMM O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129296685 544103698 /nfs/dbraw/zinc/10/36/98/544103698.db2.gz OBZZCENHHZXDDP-CYBMUJFWSA-N -1 1 354.439 2.267 20 0 FEADMM O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129429589 544112094 /nfs/dbraw/zinc/11/20/94/544112094.db2.gz RQNLLZTVJNXUAS-VIFPVBQESA-N -1 1 356.213 2.292 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)(C)CO)c1Cl ZINC000129369809 544108447 /nfs/dbraw/zinc/10/84/47/544108447.db2.gz WRHXUGOXJZBCLV-ZDUSSCGKSA-N -1 1 371.890 2.154 20 0 FEADMM O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129377920 544108829 /nfs/dbraw/zinc/10/88/29/544108829.db2.gz BKSQLQVYLUJHOR-HNNXBMFYSA-N -1 1 361.405 2.451 20 0 FEADMM O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129453672 544112811 /nfs/dbraw/zinc/11/28/11/544112811.db2.gz PHJUWAJPFWPQPZ-NSHDSACASA-N -1 1 357.805 2.263 20 0 FEADMM O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129481722 544114956 /nfs/dbraw/zinc/11/49/56/544114956.db2.gz OXDJLLVQIWGTHM-VIFPVBQESA-N -1 1 372.376 2.112 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ncccc1F ZINC000131458548 544191260 /nfs/dbraw/zinc/19/12/60/544191260.db2.gz AHTYQZARUHOKJR-UHFFFAOYSA-N -1 1 355.391 2.167 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)ccc1F ZINC000133951649 544288796 /nfs/dbraw/zinc/28/87/96/544288796.db2.gz ADUCGEWASIXLMZ-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM CC(C)[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134254258 544300530 /nfs/dbraw/zinc/30/05/30/544300530.db2.gz OKKAONNVRPLRRJ-ROUUACIJSA-N -1 1 370.449 2.283 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC(C)(C)c1cccc(F)c1 ZINC000134935015 544328225 /nfs/dbraw/zinc/32/82/25/544328225.db2.gz AFUPFZYIBFMHIM-UHFFFAOYSA-N -1 1 356.401 2.373 20 0 FEADMM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2[nH]nnc2c1 ZINC000140224695 544407275 /nfs/dbraw/zinc/40/72/75/544407275.db2.gz LEIOTKKEOHGWHR-UHFFFAOYSA-N -1 1 360.320 2.353 20 0 FEADMM O=C(CCNC(=O)c1ccc(Br)c([O-])c1)N1CCCCC1 ZINC000136564441 544374343 /nfs/dbraw/zinc/37/43/43/544374343.db2.gz ZRPUDMNMTGBXJW-UHFFFAOYSA-N -1 1 355.232 2.287 20 0 FEADMM CCC[C@H](NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)c1nn[n-]n1 ZINC000136660997 544376597 /nfs/dbraw/zinc/37/65/97/544376597.db2.gz PDNAGESUNQGEAJ-ZDUSSCGKSA-N -1 1 372.408 2.314 20 0 FEADMM CCC[C@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)c1nn[n-]n1 ZINC000136692820 544377125 /nfs/dbraw/zinc/37/71/25/544377125.db2.gz PHNGMMBZHXZCSP-HNNXBMFYSA-N -1 1 352.398 2.135 20 0 FEADMM CCC[C@H](NC(=O)c1ccc2[nH]c(C(=O)OCC)cc2c1)c1nn[n-]n1 ZINC000136713964 544377394 /nfs/dbraw/zinc/37/73/94/544377394.db2.gz FOYVOORTBXSJLA-ZDUSSCGKSA-N -1 1 356.386 2.129 20 0 FEADMM O=S(=O)(Cc1noc(-c2cccc(Cl)c2)n1)c1n[n-]c(C2CC2)n1 ZINC000151044513 544498875 /nfs/dbraw/zinc/49/88/75/544498875.db2.gz RHIJPSYJDFBIIC-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM CCCN(CCc1cccc(F)c1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000151810066 544583744 /nfs/dbraw/zinc/58/37/44/544583744.db2.gz GMHVVRMWPMYJSL-UHFFFAOYSA-N -1 1 368.430 2.422 20 0 FEADMM C[C@]1(O)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000153019344 544724151 /nfs/dbraw/zinc/72/41/51/544724151.db2.gz SSOXOKYDSKKYDZ-IBGZPJMESA-N -1 1 374.462 2.474 20 0 FEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)OC)co2)on1 ZINC000153568625 544793354 /nfs/dbraw/zinc/79/33/54/544793354.db2.gz FBUOWSFPXAFMNW-UHFFFAOYSA-N -1 1 356.400 2.436 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc([O-])cc1F ZINC000154843934 544957077 /nfs/dbraw/zinc/95/70/77/544957077.db2.gz RWXSXEZANRGFDJ-GOSISDBHSA-N -1 1 356.397 2.495 20 0 FEADMM Cc1nc(CN2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)oc1C ZINC000155012989 544976987 /nfs/dbraw/zinc/97/69/87/544976987.db2.gz RNXRRXRJHRUNBZ-UHFFFAOYSA-N -1 1 369.421 2.421 20 0 FEADMM Cc1nc([C@H]([N-]C(=O)C(F)(F)C2(O)CCC2)c2ccccc2F)no1 ZINC000155245100 545005716 /nfs/dbraw/zinc/00/57/16/545005716.db2.gz CBRKSWDRMCDLDH-GFCCVEGCSA-N -1 1 355.316 2.273 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC2CCC(=O)CC2)o1 ZINC000803278423 674233814 /nfs/dbraw/zinc/23/38/14/674233814.db2.gz QYMSRDMSOBIBDJ-UHFFFAOYSA-N -1 1 357.428 2.273 20 0 FEADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)C1(S(C)(=O)=O)CC1 ZINC000553140478 674241069 /nfs/dbraw/zinc/24/10/69/674241069.db2.gz CZKJXNVWGOYNHH-VIFPVBQESA-N -1 1 368.842 2.289 20 0 FEADMM C[C@H]1CCc2sc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2C1 ZINC000179538630 327648463 /nfs/dbraw/zinc/64/84/63/327648463.db2.gz ZGAKWVQUUPRREX-VIFPVBQESA-N -1 1 366.464 2.478 20 0 FEADMM CC(C)C[C@@H](CO)NC(=O)c1cc(I)ccc1[O-] ZINC000180350933 327682355 /nfs/dbraw/zinc/68/23/55/327682355.db2.gz SAZXXXRUROYIAF-JTQLQIEISA-N -1 1 363.195 2.134 20 0 FEADMM C[C@H]([C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])S(C)(=O)=O ZINC000180534574 327689783 /nfs/dbraw/zinc/68/97/83/327689783.db2.gz BPDLKQYETJXMEG-DTWKUNHWSA-N -1 1 353.362 2.305 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccc(C)c(C)c1 ZINC000184257495 327858541 /nfs/dbraw/zinc/85/85/41/327858541.db2.gz MRZXANAABQKRCB-MRXNPFEDSA-N -1 1 365.455 2.273 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)Cc2noc3ccccc32)CCCCC1 ZINC000185655273 327926755 /nfs/dbraw/zinc/92/67/55/327926755.db2.gz NQBRXGBSAGELAK-UHFFFAOYSA-N -1 1 352.412 2.123 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)[C@H](C)CC ZINC000185861377 327936277 /nfs/dbraw/zinc/93/62/77/327936277.db2.gz DZKTUKWRMHKIFK-ABAIWWIYSA-N -1 1 354.428 2.225 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000186982107 327995280 /nfs/dbraw/zinc/99/52/80/327995280.db2.gz RCHDIPCUSLHIDB-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000188274565 328077365 /nfs/dbraw/zinc/07/73/65/328077365.db2.gz KCHLWBKECVQSKN-LBPRGKRZSA-N -1 1 359.369 2.294 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)c1nn[n-]n1 ZINC000188278670 328077384 /nfs/dbraw/zinc/07/73/84/328077384.db2.gz QFPGPWJCRRWHAT-GFCCVEGCSA-N -1 1 361.356 2.243 20 0 FEADMM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000188274582 328077515 /nfs/dbraw/zinc/07/75/15/328077515.db2.gz KCHLWBKECVQSKN-GFCCVEGCSA-N -1 1 359.369 2.294 20 0 FEADMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000188354523 328082300 /nfs/dbraw/zinc/08/23/00/328082300.db2.gz BHTJWTDXVNKNQT-LBPRGKRZSA-N -1 1 359.369 2.294 20 0 FEADMM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000188792031 328110979 /nfs/dbraw/zinc/11/09/79/328110979.db2.gz XDUSSWIUUMXBPJ-VHSXEESVSA-N -1 1 357.336 2.248 20 0 FEADMM CCSc1cc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)ccn1 ZINC000189030432 328124483 /nfs/dbraw/zinc/12/44/83/328124483.db2.gz GDHKXGNAGPAYRN-UHFFFAOYSA-N -1 1 371.466 2.005 20 0 FEADMM CC1(NC(=O)c2cc(I)ccc2[O-])CCOCC1 ZINC000189719985 328164147 /nfs/dbraw/zinc/16/41/47/328164147.db2.gz TVUHHYRVENHVTL-UHFFFAOYSA-N -1 1 361.179 2.296 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)ccc1F ZINC000190763255 328231149 /nfs/dbraw/zinc/23/11/49/328231149.db2.gz AHHGDQWRNMIPFS-UHFFFAOYSA-N -1 1 352.343 2.080 20 0 FEADMM CCN(CC(=O)[O-])C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000190791325 328232833 /nfs/dbraw/zinc/23/28/33/328232833.db2.gz KCMVZYABNSBSLW-UHFFFAOYSA-N -1 1 352.188 2.386 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cc(Cl)ccc3C2)o1 ZINC000191480598 328267937 /nfs/dbraw/zinc/26/79/37/328267937.db2.gz PNUNQTHQKWKLJL-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM C[C@@H](O)[C@](C)(CNC(=O)c1c[n-]c2c(cnn2C)c1=O)Cc1ccccc1 ZINC000192065858 328297937 /nfs/dbraw/zinc/29/79/37/328297937.db2.gz MNDYLPONMXBJMZ-XCLFUZPHSA-N -1 1 368.437 2.034 20 0 FEADMM CC1(C)CN(C(=O)c2cc(I)ccc2[O-])CCO1 ZINC000193186988 328361676 /nfs/dbraw/zinc/36/16/76/328361676.db2.gz QTGXWTXKAJRNDW-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000193316859 328368297 /nfs/dbraw/zinc/36/82/97/328368297.db2.gz GLINYNVZYZNNPW-KGLIPLIRSA-N -1 1 354.472 2.478 20 0 FEADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000194863100 328444112 /nfs/dbraw/zinc/44/41/12/328444112.db2.gz JZYDHATVYKNFKT-UHFFFAOYSA-N -1 1 368.480 2.348 20 0 FEADMM COc1cccc(CC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c1 ZINC000033067384 324483223 /nfs/dbraw/zinc/48/32/23/324483223.db2.gz ZWOPVFDACHCENA-UHFFFAOYSA-N -1 1 364.423 2.257 20 0 FEADMM CCCCN(CCO)C(=O)c1ccc(I)c([O-])c1 ZINC000230888400 328487137 /nfs/dbraw/zinc/48/71/37/328487137.db2.gz WXMROCKHPSQREM-UHFFFAOYSA-N -1 1 363.195 2.231 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)NCc1ccccc1 ZINC000057007351 324818672 /nfs/dbraw/zinc/81/86/72/324818672.db2.gz QELQHDXSJFVCNE-JTQLQIEISA-N -1 1 372.368 2.087 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000076454754 324945404 /nfs/dbraw/zinc/94/54/04/324945404.db2.gz RSAOASMBBWFOKM-JTQLQIEISA-N -1 1 356.216 2.380 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cccc(-n3cccn3)n2)n[n-]c1=S ZINC000076595067 324954985 /nfs/dbraw/zinc/95/49/85/324954985.db2.gz DTAQJLCTIJUAEK-UHFFFAOYSA-N -1 1 357.443 2.075 20 0 FEADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c(C)c1 ZINC000078491186 325048564 /nfs/dbraw/zinc/04/85/64/325048564.db2.gz QEBVOSFSCJBOAY-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc2c(c1)OCCO2 ZINC000078795219 325062235 /nfs/dbraw/zinc/06/22/35/325062235.db2.gz KRPCXSCLGGZDJC-UHFFFAOYSA-N -1 1 357.410 2.077 20 0 FEADMM COC(=O)c1ccc(CCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000078809244 325063123 /nfs/dbraw/zinc/06/31/23/325063123.db2.gz VVBJYSTUXYRJPP-UHFFFAOYSA-N -1 1 371.437 2.135 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000079582259 325097837 /nfs/dbraw/zinc/09/78/37/325097837.db2.gz JEARDSTXJQIOGM-QFYYESIMSA-N -1 1 366.414 2.380 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000081622332 325189577 /nfs/dbraw/zinc/18/95/77/325189577.db2.gz FZBBVVIPALBLDW-UHFFFAOYSA-N -1 1 366.425 2.268 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc2c(c1)CCO2 ZINC000081766292 325195873 /nfs/dbraw/zinc/19/58/73/325195873.db2.gz HMDGLDUWGUKXEJ-UHFFFAOYSA-N -1 1 355.438 2.283 20 0 FEADMM Cc1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)ccc1C(=O)[O-] ZINC000237799410 328529334 /nfs/dbraw/zinc/52/93/34/328529334.db2.gz OUTWJTRPUGIBLY-UHFFFAOYSA-N -1 1 368.437 2.239 20 0 FEADMM C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000097203324 325458656 /nfs/dbraw/zinc/45/86/56/325458656.db2.gz XFVXUVDLCQOREW-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCSc1ccccc1 ZINC000103941397 325529250 /nfs/dbraw/zinc/52/92/50/325529250.db2.gz DSFATLDIIRDPHN-UHFFFAOYSA-N -1 1 370.478 2.481 20 0 FEADMM COCCOC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000116981296 326045757 /nfs/dbraw/zinc/04/57/57/326045757.db2.gz YLPONJLWKRGFPH-UHFFFAOYSA-N -1 1 358.232 2.422 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCN(c3ccccc3)C1)c2=O ZINC000119257002 326142104 /nfs/dbraw/zinc/14/21/04/326142104.db2.gz GYHOGVKKMJHVBJ-ZDUSSCGKSA-N -1 1 351.410 2.073 20 0 FEADMM C[C@H](CC(=O)Nc1cc(-c2nccn2C)n[nH]1)NC(=O)C1CCCCC1 ZINC000119723841 326191657 /nfs/dbraw/zinc/19/16/57/326191657.db2.gz AAOIHALEBYWWHW-GFCCVEGCSA-N -1 1 358.446 2.224 20 0 FEADMM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000120883892 326296349 /nfs/dbraw/zinc/29/63/49/326296349.db2.gz AXOJFBWSPCHYFR-KRWDZBQOSA-N -1 1 373.840 2.030 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)co1 ZINC000121247388 326324633 /nfs/dbraw/zinc/32/46/33/326324633.db2.gz HRYQOXQOVAXZEZ-UHFFFAOYSA-N -1 1 352.412 2.475 20 0 FEADMM CC[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123301829 326426955 /nfs/dbraw/zinc/42/69/55/326426955.db2.gz PRCSNSRCSGBLDZ-QAPCUYQASA-N -1 1 370.449 2.427 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000134114299 326619918 /nfs/dbraw/zinc/61/99/18/326619918.db2.gz AEPQNVHINMVKFD-MRXNPFEDSA-N -1 1 369.418 2.022 20 0 FEADMM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](CN2CCOCC2)C1 ZINC000151285233 326678772 /nfs/dbraw/zinc/67/87/72/326678772.db2.gz ULEVQQAOWBPSOD-GFCCVEGCSA-N -1 1 356.825 2.369 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCc2cccc(F)c2)C2CC2)co1 ZINC000151873065 326693407 /nfs/dbraw/zinc/69/34/07/326693407.db2.gz YFOGIGWDJSWXDI-UHFFFAOYSA-N -1 1 366.414 2.174 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)co1 ZINC000153593986 326737190 /nfs/dbraw/zinc/73/71/90/326737190.db2.gz CMQFMCDGDOSYBC-XJKSGUPXSA-N -1 1 362.451 2.454 20 0 FEADMM COc1cc(C)ccc1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000153723278 326740913 /nfs/dbraw/zinc/74/09/13/326740913.db2.gz QGYWVWIAIHDVEW-UHFFFAOYSA-N -1 1 361.467 2.366 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@]1(C)CCCS1 ZINC000154161677 326752780 /nfs/dbraw/zinc/75/27/80/326752780.db2.gz XJXRSILDBLAANC-LJQANCHMSA-N -1 1 372.494 2.475 20 0 FEADMM CSC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000157238310 326859347 /nfs/dbraw/zinc/85/93/47/326859347.db2.gz VXVQUWYNJDWTHL-NSHDSACASA-N -1 1 360.501 2.324 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 ZINC000158288574 326891153 /nfs/dbraw/zinc/89/11/53/326891153.db2.gz FZWYNTLXZVZOPD-OAHLLOKOSA-N -1 1 372.446 2.309 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000161677443 327006260 /nfs/dbraw/zinc/00/62/60/327006260.db2.gz QNFMETOQOCRZHC-IAQYHMDHSA-N -1 1 361.417 2.367 20 0 FEADMM COc1ccc(C)cc1N1C[C@@H](C(=O)[N-]OCCC(F)(F)F)CC1=O ZINC000162673561 327031582 /nfs/dbraw/zinc/03/15/82/327031582.db2.gz FOOGWKAYMDYGHK-NSHDSACASA-N -1 1 360.332 2.357 20 0 FEADMM CCOc1ccccc1N1C[C@H](C(=O)[N-]OCCC(F)(F)F)CC1=O ZINC000162670432 327031789 /nfs/dbraw/zinc/03/17/89/327031789.db2.gz WUKSCDUARQZWPD-LLVKDONJSA-N -1 1 360.332 2.438 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000170630114 327089819 /nfs/dbraw/zinc/08/98/19/327089819.db2.gz BTLXHPNNAZQSIX-LZWOXQAQSA-N -1 1 352.438 2.235 20 0 FEADMM CN(C[C@H]1CCCO1)C(=O)c1cc(I)ccc1[O-] ZINC000170857068 327102864 /nfs/dbraw/zinc/10/28/64/327102864.db2.gz ADUKGXUANCSWCN-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)c1 ZINC000171335700 327132819 /nfs/dbraw/zinc/13/28/19/327132819.db2.gz LBIOEWHKXOQTJK-UHFFFAOYSA-N -1 1 362.451 2.265 20 0 FEADMM COC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000171425444 327138574 /nfs/dbraw/zinc/13/85/74/327138574.db2.gz WZFVXNLGCBEIFM-QGZVFWFLSA-N -1 1 368.437 2.488 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)c1Cl ZINC000172333013 327196400 /nfs/dbraw/zinc/19/64/00/327196400.db2.gz ZZQQMPFVSWRPFV-UHFFFAOYSA-N -1 1 373.837 2.197 20 0 FEADMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000172658613 327213840 /nfs/dbraw/zinc/21/38/40/327213840.db2.gz XZZDHXDYLZAUAJ-JTQLQIEISA-N -1 1 370.780 2.306 20 0 FEADMM O=C(Cc1cc[nH]n1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000172745778 327216636 /nfs/dbraw/zinc/21/66/36/327216636.db2.gz ZHEGALFDBWQZES-UHFFFAOYSA-N -1 1 370.434 2.069 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000173108967 327235699 /nfs/dbraw/zinc/23/56/99/327235699.db2.gz PFBXJKSOIOJPOH-HSZRJFAPSA-N -1 1 366.464 2.438 20 0 FEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C(=O)N1c1ccccc1 ZINC000173685489 327276719 /nfs/dbraw/zinc/27/67/19/327276719.db2.gz LKORWUOGPPUSIE-RISCZKNCSA-N -1 1 366.389 2.437 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nc3cc(C)ccc3[nH]2)c(=O)[n-]1 ZINC000174878956 327357594 /nfs/dbraw/zinc/35/75/94/327357594.db2.gz IMBZBSSEGOAZFD-UHFFFAOYSA-N -1 1 371.466 2.234 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nc3ccc(C)cc3[nH]2)c(=O)[n-]1 ZINC000174878956 327357596 /nfs/dbraw/zinc/35/75/96/327357596.db2.gz IMBZBSSEGOAZFD-UHFFFAOYSA-N -1 1 371.466 2.234 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000174992462 327366234 /nfs/dbraw/zinc/36/62/34/327366234.db2.gz UISSAZLDOYIXBG-SNVBAGLBSA-N -1 1 371.441 2.357 20 0 FEADMM O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2cc1[O-] ZINC000175390245 327390259 /nfs/dbraw/zinc/39/02/59/327390259.db2.gz LYIAPOFFDPASAV-CQSZACIVSA-N -1 1 371.418 2.354 20 0 FEADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000176079878 327432863 /nfs/dbraw/zinc/43/28/63/327432863.db2.gz UTUPSPTUOREZJW-QMMMGPOBSA-N -1 1 356.341 2.015 20 0 FEADMM O=C(N[C@H]1CCC[C@@H]1O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000178626955 327596577 /nfs/dbraw/zinc/59/65/77/327596577.db2.gz AXBWGYYWIRLCFJ-IRXDYDNUSA-N -1 1 360.435 2.131 20 0 FEADMM CCC[C@H](NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000262285786 328856531 /nfs/dbraw/zinc/85/65/31/328856531.db2.gz MFANEEZSXLVQPM-JKSUJKDBSA-N -1 1 364.442 2.210 20 0 FEADMM CC(C)CN1CCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000263470738 328942145 /nfs/dbraw/zinc/94/21/45/328942145.db2.gz LFRMFNQGIYVXCB-GOSISDBHSA-N -1 1 361.486 2.446 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000264318185 329009535 /nfs/dbraw/zinc/00/95/35/329009535.db2.gz PWFASMWPKYBOPN-NSHDSACASA-N -1 1 367.448 2.214 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)c1C ZINC000266066306 329186893 /nfs/dbraw/zinc/18/68/93/329186893.db2.gz JVCIANNREHREMN-UHFFFAOYSA-N -1 1 373.381 2.385 20 0 FEADMM CO[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266074163 329187633 /nfs/dbraw/zinc/18/76/33/329187633.db2.gz CORGSZUUXRJEAT-HOTGVXAUSA-N -1 1 356.426 2.169 20 0 FEADMM COc1ccc2c(c1)c(C(=O)NN1CC(=O)[N-]C1=O)c(C)n2C1CCCC1 ZINC000266531892 329233560 /nfs/dbraw/zinc/23/35/60/329233560.db2.gz FJXZSHXQRKJMPW-UHFFFAOYSA-N -1 1 370.409 2.270 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000266582675 329238529 /nfs/dbraw/zinc/23/85/29/329238529.db2.gz RFLSOJJZXXJURU-UTKZUKDTSA-N -1 1 362.433 2.160 20 0 FEADMM CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000266749923 329256072 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CO[C@@H]1[C@H](C)[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000271973553 329741675 /nfs/dbraw/zinc/74/16/75/329741675.db2.gz NFGFBXNUQNZQSL-ZTFRIQLXSA-N -1 1 370.453 2.271 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCO[C@@H](C)C2)c1 ZINC000272119168 329753679 /nfs/dbraw/zinc/75/36/79/329753679.db2.gz SPEQFAGYULCCDY-STQMWFEESA-N -1 1 370.471 2.176 20 0 FEADMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000274171671 329922835 /nfs/dbraw/zinc/92/28/35/329922835.db2.gz OENPLLIEDMYPHN-SNVBAGLBSA-N -1 1 370.452 2.368 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000274213106 329926973 /nfs/dbraw/zinc/92/69/73/329926973.db2.gz QTKDNGAMLDKWQL-HUUCEWRRSA-N -1 1 365.407 2.265 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccc2c(c1)CCO2 ZINC000274518722 329956934 /nfs/dbraw/zinc/95/69/34/329956934.db2.gz WTZLQHIBFXBGMR-MRXNPFEDSA-N -1 1 365.407 2.024 20 0 FEADMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cnn(C(C)C)c2)no1 ZINC000275955211 330106386 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367.437 2.227 20 0 FEADMM O=C(Cc1ccccc1OC(F)F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000554854415 674338704 /nfs/dbraw/zinc/33/87/04/674338704.db2.gz OVWGEBBRKATBNJ-UHFFFAOYSA-N -1 1 353.325 2.325 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC[C@@H]1O ZINC000186755101 518180045 /nfs/dbraw/zinc/18/00/45/518180045.db2.gz RMXVOSLJAUPELJ-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H]1CSC[C@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788125 674354078 /nfs/dbraw/zinc/35/40/78/674354078.db2.gz AGLUZDMDNAUYIT-MJDLHHQISA-N -1 1 367.437 2.225 20 0 FEADMM C[C@H]1CCN(CCNC(=O)OC(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787197 674354095 /nfs/dbraw/zinc/35/40/95/674354095.db2.gz JFLFZMNJQTWTBM-SRVKXCTJSA-N -1 1 367.412 2.289 20 0 FEADMM O=C(Cc1ccc(OC(F)F)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000555538454 674365465 /nfs/dbraw/zinc/36/54/65/674365465.db2.gz RNIYXYKZUQTTCF-LLVKDONJSA-N -1 1 353.325 2.325 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(n2ccnn2)CC1 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CCSc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000483115804 561267857 /nfs/dbraw/zinc/26/78/57/561267857.db2.gz HLWOTDFHMZQOLC-UHFFFAOYSA-N -1 1 352.437 2.404 20 0 FEADMM CO[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000483122463 561268157 /nfs/dbraw/zinc/26/81/57/561268157.db2.gz CAKJCYPOZQUEAX-YJBOKZPZSA-N -1 1 368.433 2.397 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)c1 ZINC000181163136 547262019 /nfs/dbraw/zinc/26/20/19/547262019.db2.gz KKQHZIWPRSFHRP-UHFFFAOYSA-N -1 1 356.407 2.486 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1)c2=O ZINC000181902673 547401297 /nfs/dbraw/zinc/40/12/97/547401297.db2.gz HCOVKEVPVNNTEW-JKSUJKDBSA-N -1 1 352.394 2.324 20 0 FEADMM Cc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1C(=O)NC(C)C ZINC000181979020 547416196 /nfs/dbraw/zinc/41/61/96/547416196.db2.gz VUIOLVOXQVKGRT-UHFFFAOYSA-N -1 1 367.409 2.373 20 0 FEADMM CC(C)c1nc(C2(NC(=O)c3c[n-]c4c(cnn4C)c3=O)CCCC2)no1 ZINC000182114062 547440195 /nfs/dbraw/zinc/44/01/95/547440195.db2.gz KIKSDFWMUSTONV-UHFFFAOYSA-N -1 1 370.413 2.380 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@H]1c1cccnc1)c1ccc(Br)o1 ZINC000483899466 561286281 /nfs/dbraw/zinc/28/62/81/561286281.db2.gz UTRWLLKDRUKCFT-GXFFZTMASA-N -1 1 373.228 2.246 20 0 FEADMM Cn1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)n1 ZINC000484111638 561291681 /nfs/dbraw/zinc/29/16/81/561291681.db2.gz FXCDAVXPEOVGBE-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183409782 547652664 /nfs/dbraw/zinc/65/26/64/547652664.db2.gz LXFTTZAWORUBBZ-JTQLQIEISA-N -1 1 357.393 2.017 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000183421075 547655755 /nfs/dbraw/zinc/65/57/55/547655755.db2.gz ANVHPWIWUMJQHF-SNVBAGLBSA-N -1 1 357.336 2.293 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000183422569 547656539 /nfs/dbraw/zinc/65/65/39/547656539.db2.gz VJECDCQEUSDLQT-YUSALJHKSA-N -1 1 369.347 2.464 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccc(OCc2cccnc2)c1)c1nn[n-]n1 ZINC000183451045 547661751 /nfs/dbraw/zinc/66/17/51/547661751.db2.gz LAQSVQNQJGWUHA-CYBMUJFWSA-N -1 1 352.398 2.049 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccccc1C(=O)c1cccs1)c1nn[n-]n1 ZINC000183448970 547661958 /nfs/dbraw/zinc/66/19/58/547661958.db2.gz PBMFTOCMPOGABG-LLVKDONJSA-N -1 1 355.423 2.368 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(N)=O ZINC000484567065 561300145 /nfs/dbraw/zinc/30/01/45/561300145.db2.gz GHGUILVOQWFIPA-UHFFFAOYSA-N -1 1 361.423 2.075 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c1Cl ZINC000183847258 547728464 /nfs/dbraw/zinc/72/84/64/547728464.db2.gz BVBJEUCMFRFYBK-QWHCGFSZSA-N -1 1 355.847 2.272 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)Oc1ccccc1F ZINC000484798751 561306277 /nfs/dbraw/zinc/30/62/77/561306277.db2.gz SDYCXSOPZGRPIZ-NSHDSACASA-N -1 1 371.386 2.341 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cs1 ZINC000484801541 561306330 /nfs/dbraw/zinc/30/63/30/561306330.db2.gz ZPDXMKDOZKGWMB-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000184307765 547804457 /nfs/dbraw/zinc/80/44/57/547804457.db2.gz QNKGXAJMGNNTGS-UHFFFAOYSA-N -1 1 364.398 2.001 20 0 FEADMM O=S(=O)(Cc1ccn(-c2ccc(Cl)cc2)n1)c1n[n-]c(C2CC2)n1 ZINC000184798308 547880788 /nfs/dbraw/zinc/88/07/88/547880788.db2.gz UDDWFBXWDWWEJJ-UHFFFAOYSA-N -1 1 363.830 2.495 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc(C(=O)[O-])c1F ZINC000184915187 547899319 /nfs/dbraw/zinc/89/93/19/547899319.db2.gz VVZKTLRAWPUOSU-WCQYABFASA-N -1 1 372.462 2.231 20 0 FEADMM CCCN(CC(=O)[O-])CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000184927053 547902746 /nfs/dbraw/zinc/90/27/46/547902746.db2.gz HNCWPDOXBGXLGW-UHFFFAOYSA-N -1 1 358.320 2.317 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)o1 ZINC000485884332 561331140 /nfs/dbraw/zinc/33/11/40/561331140.db2.gz RMTYRPBHPXXREB-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM O=C([O-])[C@H](CNC(=O)Cc1[nH]nc2ccccc21)Cc1cccc(F)c1 ZINC000486151840 561339366 /nfs/dbraw/zinc/33/93/66/561339366.db2.gz CMCOHJFYUAZOCK-ZDUSSCGKSA-N -1 1 355.369 2.304 20 0 FEADMM C[C@@](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000193079318 548379052 /nfs/dbraw/zinc/37/90/52/548379052.db2.gz NSKLOCLYTIOZME-SFHVURJKSA-N -1 1 368.349 2.243 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000193719777 548394232 /nfs/dbraw/zinc/39/42/32/548394232.db2.gz IRNWTJNLCXWKRI-GFCCVEGCSA-N -1 1 366.361 2.268 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cs1 ZINC000486549143 561350422 /nfs/dbraw/zinc/35/04/22/561350422.db2.gz NJUROOONNCQFPA-UHFFFAOYSA-N -1 1 355.372 2.351 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1ccc(Cl)cc1F ZINC000194194062 548447800 /nfs/dbraw/zinc/44/78/00/548447800.db2.gz HVBPSQVTFMHNHZ-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM COCc1nnc(S(=O)(=O)[C@@H](C)c2cccc(Br)c2)[n-]1 ZINC000486603791 561352109 /nfs/dbraw/zinc/35/21/09/561352109.db2.gz NAGDGACURHODJM-QMMMGPOBSA-N -1 1 360.233 2.249 20 0 FEADMM COCc1nc(S(=O)(=O)[C@@H](C)c2cccc(Br)c2)n[n-]1 ZINC000486603791 561352110 /nfs/dbraw/zinc/35/21/10/561352110.db2.gz NAGDGACURHODJM-QMMMGPOBSA-N -1 1 360.233 2.249 20 0 FEADMM CSC1(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCC1 ZINC000194629569 548507554 /nfs/dbraw/zinc/50/75/54/548507554.db2.gz MTIHBGZIPPPVIW-UHFFFAOYSA-N -1 1 372.494 2.475 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cn1 ZINC000194799198 548533656 /nfs/dbraw/zinc/53/36/56/548533656.db2.gz KHJXKTPOTQDERO-UHFFFAOYSA-N -1 1 358.217 2.357 20 0 FEADMM CCOC(=O)[C@H]([N-]C(=O)C(F)F)c1ccc(OC)c(Br)c1 ZINC000194844221 548540212 /nfs/dbraw/zinc/54/02/12/548540212.db2.gz DBLPBOMEEZSMMB-SNVBAGLBSA-N -1 1 366.158 2.443 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)n1 ZINC000195174865 548589815 /nfs/dbraw/zinc/58/98/15/548589815.db2.gz INRNBLGBHKTRIT-JTQLQIEISA-N -1 1 371.463 2.193 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)n1 ZINC000195174865 548589819 /nfs/dbraw/zinc/58/98/19/548589819.db2.gz INRNBLGBHKTRIT-JTQLQIEISA-N -1 1 371.463 2.193 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)n1 ZINC000195174865 548589823 /nfs/dbraw/zinc/58/98/23/548589823.db2.gz INRNBLGBHKTRIT-JTQLQIEISA-N -1 1 371.463 2.193 20 0 FEADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000486921282 561359579 /nfs/dbraw/zinc/35/95/79/561359579.db2.gz WQLYEHNBMRKWQN-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM CN1CCC[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)[C@@H]1c1cccs1 ZINC000195301569 548617703 /nfs/dbraw/zinc/61/77/03/548617703.db2.gz KABQHLGNMKHBAP-CMPLNLGQSA-N -1 1 371.450 2.117 20 0 FEADMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nnn1Cc1ccc(F)cc1 ZINC000195446197 548641390 /nfs/dbraw/zinc/64/13/90/548641390.db2.gz OJRFIISUXHRENA-UHFFFAOYSA-N -1 1 369.282 2.163 20 0 FEADMM CN(C)C(=O)CNCc1cc(Br)c([O-])c(Br)c1 ZINC000218417662 548686846 /nfs/dbraw/zinc/68/68/46/548686846.db2.gz YGOIPGDTGDCUAT-UHFFFAOYSA-N -1 1 366.053 2.095 20 0 FEADMM CN1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000221177060 548704377 /nfs/dbraw/zinc/70/43/77/548704377.db2.gz XDZWDPHKYVBXIE-JTQLQIEISA-N -1 1 367.696 2.475 20 0 FEADMM O=C([O-])[C@@H](CNC(=O)c1cc(F)cc2nc[nH]c21)Oc1ccc(F)cc1 ZINC000238186698 548880436 /nfs/dbraw/zinc/88/04/36/548880436.db2.gz KBKQBWWSCOAATH-CQSZACIVSA-N -1 1 361.304 2.103 20 0 FEADMM CC(C)c1ccc(CCCNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000489167927 561404814 /nfs/dbraw/zinc/40/48/14/561404814.db2.gz BCUKVBYPWVVVKQ-UHFFFAOYSA-N -1 1 355.438 2.389 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)Nc1ccc(-n2cccc2C(=O)[O-])c(C)c1 ZINC000489302774 561407620 /nfs/dbraw/zinc/40/76/20/561407620.db2.gz BDCHZLWBUOTMNS-UHFFFAOYSA-N -1 1 374.422 2.327 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)c1ccc(C)o1 ZINC000489556146 561414152 /nfs/dbraw/zinc/41/41/52/561414152.db2.gz WRWOXWSMUKJVEA-AWEZNQCLSA-N -1 1 373.471 2.318 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)c2ccc(Cl)cc2)no1 ZINC000248902504 549525699 /nfs/dbraw/zinc/52/56/99/549525699.db2.gz HMLLOCYOFQXMMG-CUOATXAZSA-N -1 1 371.846 2.218 20 0 FEADMM COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249125299 549557375 /nfs/dbraw/zinc/55/73/75/549557375.db2.gz UCKWBBWGFUVCQE-YPMHNXCESA-N -1 1 374.528 2.242 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000261857661 549763212 /nfs/dbraw/zinc/76/32/12/549763212.db2.gz OEVXQPBHRHRSNJ-KBPBESRZSA-N -1 1 368.499 2.346 20 0 FEADMM CCOC(=O)CC(C)(C)N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000490361448 561431704 /nfs/dbraw/zinc/43/17/04/561431704.db2.gz DXWFPVFYBXAERX-UHFFFAOYSA-N -1 1 369.487 2.335 20 0 FEADMM CC[C@H](CNC(=O)c1cc(C(=O)[O-])ccn1)N1CCc2ccccc2C1 ZINC000263443954 549901550 /nfs/dbraw/zinc/90/15/50/549901550.db2.gz XZSJNAAYOJZFDE-QGZVFWFLSA-N -1 1 353.422 2.347 20 0 FEADMM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000263858698 549947167 /nfs/dbraw/zinc/94/71/67/549947167.db2.gz RHMMIAAFBLGRPP-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000268508600 550079056 /nfs/dbraw/zinc/07/90/56/550079056.db2.gz BWQLGNOEUKHVQT-NSHDSACASA-N -1 1 371.459 2.003 20 0 FEADMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccccc1 ZINC000268644820 550098808 /nfs/dbraw/zinc/09/88/08/550098808.db2.gz SJANWJYZCQGBRD-LSDHHAIUSA-N -1 1 355.456 2.168 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(N(C)C)no1 ZINC000269290725 550177691 /nfs/dbraw/zinc/17/76/91/550177691.db2.gz ODHKBTPXYZBIPP-MRVPVSSYSA-N -1 1 364.349 2.194 20 0 FEADMM C[C@H](CCO)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000269442328 550196284 /nfs/dbraw/zinc/19/62/84/550196284.db2.gz JNULLGNIEGQXCO-CQSZACIVSA-N -1 1 362.451 2.236 20 0 FEADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cnn([C@@H]2CCOC2)c1 ZINC000269668308 550215080 /nfs/dbraw/zinc/21/50/80/550215080.db2.gz AEMZERVPLGSAMJ-SECBINFHSA-N -1 1 371.802 2.027 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1)c1ccco1 ZINC000269747289 550222437 /nfs/dbraw/zinc/22/24/37/550222437.db2.gz RNBNSGOFHMJLIM-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2OC(F)F)co1 ZINC000270070859 550247161 /nfs/dbraw/zinc/24/71/61/550247161.db2.gz XLDQZDFDKREUES-SECBINFHSA-N -1 1 374.365 2.280 20 0 FEADMM CC(C)[C@@H](O)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271237074 550356670 /nfs/dbraw/zinc/35/66/70/550356670.db2.gz FHEISSUPVRFJHL-LBPRGKRZSA-N -1 1 364.320 2.250 20 0 FEADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000271516457 550381749 /nfs/dbraw/zinc/38/17/49/550381749.db2.gz OPWITRSYNVWBER-GHMZBOCLSA-N -1 1 372.418 2.115 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000271963663 550413510 /nfs/dbraw/zinc/41/35/10/550413510.db2.gz VQRCJLUVHLLSCC-NSHDSACASA-N -1 1 353.444 2.018 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(=O)[n-]1 ZINC000272224898 550429545 /nfs/dbraw/zinc/42/95/45/550429545.db2.gz KYMHOXBZHYUQSH-UONOGXRCSA-N -1 1 367.515 2.401 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)[C@H]1CCCCO1 ZINC000272241316 550430616 /nfs/dbraw/zinc/43/06/16/550430616.db2.gz NOKNGKRSWUVYES-CZUORRHYSA-N -1 1 356.426 2.169 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cn1C ZINC000272939741 550477461 /nfs/dbraw/zinc/47/74/61/550477461.db2.gz NHWQGKWOTYUROD-UHFFFAOYSA-N -1 1 374.365 2.256 20 0 FEADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000273706079 550508734 /nfs/dbraw/zinc/50/87/34/550508734.db2.gz LSIQQBKRNIOBTH-UHFFFAOYSA-N -1 1 367.471 2.240 20 0 FEADMM CCOC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000276858694 550603912 /nfs/dbraw/zinc/60/39/12/550603912.db2.gz JUNIMTLPWXGGPM-INIZCTEOSA-N -1 1 358.442 2.272 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000277266667 550649660 /nfs/dbraw/zinc/64/96/60/550649660.db2.gz AYNCBRUHFNOZGU-LLVKDONJSA-N -1 1 363.393 2.226 20 0 FEADMM CCOc1cc(C(=O)N[C@H](CO)Cc2ccncc2)cc(Cl)c1[O-] ZINC000277327980 550657025 /nfs/dbraw/zinc/65/70/25/550657025.db2.gz CIDKKYVWOIKVFC-ZDUSSCGKSA-N -1 1 350.802 2.173 20 0 FEADMM Cc1cn2nc([N-]c3cnn(Cc4nnc5n4CCCC5)c3)sc2n1 ZINC000277709635 550704791 /nfs/dbraw/zinc/70/47/91/550704791.db2.gz INJXDTXVNFCAJA-UHFFFAOYSA-N -1 1 355.431 2.015 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(C)c3O)CC2)n1 ZINC000277783259 550713497 /nfs/dbraw/zinc/71/34/97/550713497.db2.gz RZXKCAYXAYTQSL-UHFFFAOYSA-N -1 1 358.398 2.015 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C)(O)C3)cc2)c1 ZINC000277786155 550713809 /nfs/dbraw/zinc/71/38/09/550713809.db2.gz RSNUDJFCSJVONP-UHFFFAOYSA-N -1 1 374.462 2.311 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C=Cc3ccc(C)o3)CC2)n1 ZINC000277838411 550719982 /nfs/dbraw/zinc/71/99/82/550719982.db2.gz WTWKXEVDUXJILO-VOTSOKGWSA-N -1 1 358.398 2.302 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CO)C(C)(C)C ZINC000278443193 550786986 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FEADMM CCc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000294290823 552894362 /nfs/dbraw/zinc/89/43/62/552894362.db2.gz PJNSSWKJWRHAPU-HNNXBMFYSA-N -1 1 356.426 2.030 20 0 FEADMM CC(=O)c1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000294544582 552914663 /nfs/dbraw/zinc/91/46/63/552914663.db2.gz DDDNIHHIYYZPHZ-JTQLQIEISA-N -1 1 362.373 2.481 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)C)nc2C)c1 ZINC000294833106 552937278 /nfs/dbraw/zinc/93/72/78/552937278.db2.gz WLBYZJZMBHCNTP-UHFFFAOYSA-N -1 1 363.439 2.379 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000295319609 552986889 /nfs/dbraw/zinc/98/68/89/552986889.db2.gz WHCBSHDRAVQEGZ-GFCCVEGCSA-N -1 1 373.413 2.236 20 0 FEADMM COCCCOc1cccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000295582544 553028994 /nfs/dbraw/zinc/02/89/94/553028994.db2.gz WYLHKYYIVAAHAZ-UHFFFAOYSA-N -1 1 372.450 2.363 20 0 FEADMM CC[C@H](CO)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000295805278 553061604 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COc1ccc(C)nc1NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000297311867 553276784 /nfs/dbraw/zinc/27/67/84/553276784.db2.gz XLHBAWWEAFLNKR-GHMZBOCLSA-N -1 1 374.363 2.462 20 0 FEADMM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000298199773 553397291 /nfs/dbraw/zinc/39/72/91/553397291.db2.gz WSZJVNGZOGKRFU-INIZCTEOSA-N -1 1 367.409 2.387 20 0 FEADMM CC(C)c1nc(C2CCN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CC2)no1 ZINC000298551504 553439389 /nfs/dbraw/zinc/43/93/89/553439389.db2.gz YFFHGBXRVWTCFQ-STZFKDTASA-N -1 1 369.429 2.260 20 0 FEADMM COc1ccc(NC(=O)NCCCOCC(C)C)cc1[N-]S(C)(=O)=O ZINC000298767702 553470341 /nfs/dbraw/zinc/47/03/41/553470341.db2.gz QBRDURDTAFVXQB-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM CCOc1cc(C(=O)[N-]c2ccccc2S(=O)(=O)NC(C)(C)C)on1 ZINC000299100581 553515573 /nfs/dbraw/zinc/51/55/73/553515573.db2.gz KZPMZCHCMKCWCX-UHFFFAOYSA-N -1 1 367.427 2.402 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C[C@@H]2CCOC2)C2CC2)c(=O)[n-]1 ZINC000299259413 553538341 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Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCCO1 ZINC000299660092 553598522 /nfs/dbraw/zinc/59/85/22/553598522.db2.gz MZJKTACJDTVLBJ-HNNXBMFYSA-N -1 1 356.426 2.171 20 0 FEADMM CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000301328801 553642467 /nfs/dbraw/zinc/64/24/67/553642467.db2.gz AOGKYGCBQRVWIK-HNNXBMFYSA-N -1 1 355.442 2.214 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccn(-c4ccncc4)n3)ccc2O1 ZINC000505321938 561669555 /nfs/dbraw/zinc/66/95/55/561669555.db2.gz AJZDGXACRMWUFR-LBPRGKRZSA-N -1 1 356.407 2.392 20 0 FEADMM COC(=O)[C@H]1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C[C@@H]1C ZINC000302790081 553733255 /nfs/dbraw/zinc/73/32/55/553733255.db2.gz YFGZQTZVTHNNHS-NHYWBVRUSA-N -1 1 356.426 2.496 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1 ZINC000326532416 553781236 /nfs/dbraw/zinc/78/12/36/553781236.db2.gz WXNVNYALJFMDSI-UHFFFAOYSA-N -1 1 356.407 2.330 20 0 FEADMM COc1ccccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000327330659 553787971 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CC(C)(C)n1ncnc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000506237808 561693828 /nfs/dbraw/zinc/69/38/28/561693828.db2.gz HGKLCIZFXXHQNR-UHFFFAOYSA-N -1 1 353.220 2.431 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)cc2oc1=O ZINC000506660242 561705306 /nfs/dbraw/zinc/70/53/06/561705306.db2.gz BEAVOLZIGZHZOT-UHFFFAOYSA-N -1 1 365.411 2.359 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@H](N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000329630526 553979489 /nfs/dbraw/zinc/97/94/89/553979489.db2.gz HWMRHFDLJCMFOB-INIZCTEOSA-N -1 1 373.432 2.333 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2coc(-c3ccc(C)cc3)n2)n1 ZINC000506960567 561712782 /nfs/dbraw/zinc/71/27/82/561712782.db2.gz GBSKKUZMYCERNZ-UHFFFAOYSA-N -1 1 361.379 2.134 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000507621835 561735680 /nfs/dbraw/zinc/73/56/80/561735680.db2.gz PIQCWMUQLLPSAP-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM NC(=O)CCC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000507717588 561738800 /nfs/dbraw/zinc/73/88/00/561738800.db2.gz KOZSZSMPIJXCGH-UHFFFAOYSA-N -1 1 355.232 2.272 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)cc1 ZINC000508068688 561750150 /nfs/dbraw/zinc/75/01/50/561750150.db2.gz OUCHUQJEYINLPN-UHFFFAOYSA-N -1 1 362.386 2.344 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000330583506 554141344 /nfs/dbraw/zinc/14/13/44/554141344.db2.gz KMJKMNADPRNSPX-CYBMUJFWSA-N -1 1 369.409 2.156 20 0 FEADMM O=S(=O)([N-]c1nc(Cc2cccc(F)c2)n[nH]1)c1ccccc1F ZINC000508125600 561752618 /nfs/dbraw/zinc/75/26/18/561752618.db2.gz ABBOGGFWXSAMCT-UHFFFAOYSA-N -1 1 350.350 2.475 20 0 FEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000508225301 561755831 /nfs/dbraw/zinc/75/58/31/561755831.db2.gz XILAGQJKGJOCMX-UHFFFAOYSA-N -1 1 368.390 2.189 20 0 FEADMM CC[C@H]1C[C@@H](C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000330763388 554168099 /nfs/dbraw/zinc/16/80/99/554168099.db2.gz QETBMJLZEBVBDM-AAEUAGOBSA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCOC1 ZINC000508859025 561775677 /nfs/dbraw/zinc/77/56/77/561775677.db2.gz JKQPDMVSUCHFPJ-QMMMGPOBSA-N -1 1 368.238 2.095 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1F ZINC000331424620 554262272 /nfs/dbraw/zinc/26/22/72/554262272.db2.gz PJSZSVVUFSACBW-GFCCVEGCSA-N -1 1 363.838 2.486 20 0 FEADMM C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000331542659 554282338 /nfs/dbraw/zinc/28/23/38/554282338.db2.gz QPUIFRZOCULSFI-CABZTGNLSA-N -1 1 364.389 2.172 20 0 FEADMM COc1cc(F)c([N-]S(=O)(=O)c2cccc3c2OCO3)cc1OC ZINC000509075087 561783899 /nfs/dbraw/zinc/78/38/99/561783899.db2.gz QITZXXKZZKQQAH-UHFFFAOYSA-N -1 1 355.343 2.372 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c1 ZINC000509098314 561784639 /nfs/dbraw/zinc/78/46/39/561784639.db2.gz KSIORYYPWVRBEX-UHFFFAOYSA-N -1 1 361.452 2.400 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@](C)(O)C3)c2)c1 ZINC000331682777 554307973 /nfs/dbraw/zinc/30/79/73/554307973.db2.gz QZDVCZLMAITKOI-LJQANCHMSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(CSc1nnnn1CC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000509179906 561788550 /nfs/dbraw/zinc/78/85/50/561788550.db2.gz BPNCFXWQSLRGRB-UHFFFAOYSA-N -1 1 367.740 2.325 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)[C@@H](C)C3)c2)cc1 ZINC000509342880 561795755 /nfs/dbraw/zinc/79/57/55/561795755.db2.gz NPGWOHZUEFVDDJ-KSSFIOAISA-N -1 1 374.462 2.249 20 0 FEADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc3c2OCO3)c1F ZINC000509397153 561797722 /nfs/dbraw/zinc/79/77/22/561797722.db2.gz QTAKYOFPWSSYDT-UHFFFAOYSA-N -1 1 371.317 2.281 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C(N)=O ZINC000509536778 561804401 /nfs/dbraw/zinc/80/44/01/561804401.db2.gz BQAYRIRWAVXOCK-UHFFFAOYSA-N -1 1 363.420 2.205 20 0 FEADMM Cc1noc([C@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)n1 ZINC000332078293 554375396 /nfs/dbraw/zinc/37/53/96/554375396.db2.gz HJLJDTMZRCMISZ-VIFPVBQESA-N -1 1 352.188 2.476 20 0 FEADMM COC(=O)c1cc2cc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2o1 ZINC000509552300 561805026 /nfs/dbraw/zinc/80/50/26/561805026.db2.gz DLBPBHJUMSIDNL-UHFFFAOYSA-N -1 1 364.335 2.047 20 0 FEADMM N=c1nc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)s[n-]1 ZINC000332305261 554421231 /nfs/dbraw/zinc/42/12/31/554421231.db2.gz MQHNJPSBZSFNFJ-UHFFFAOYSA-N -1 1 374.257 2.176 20 0 FEADMM CSc1ccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000332376956 554434641 /nfs/dbraw/zinc/43/46/41/554434641.db2.gz GKKGDOZEVNWLTF-UHFFFAOYSA-N -1 1 350.473 2.196 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Oc2ccncc2)cc1 ZINC000509948031 561819547 /nfs/dbraw/zinc/81/95/47/561819547.db2.gz HALFRHJVTQNWOE-UHFFFAOYSA-N -1 1 364.361 2.343 20 0 FEADMM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CNC(=O)c2ncccc2[O-])C2CC2)o1 ZINC000509989368 561820987 /nfs/dbraw/zinc/82/09/87/561820987.db2.gz NFYHRRWINVVGEJ-WFASDCNBSA-N -1 1 369.421 2.425 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCOC(C)C ZINC000509995072 561821183 /nfs/dbraw/zinc/82/11/83/561821183.db2.gz AKHUGJQKZNXJOC-UHFFFAOYSA-N -1 1 370.254 2.483 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)OC ZINC000510000535 561821530 /nfs/dbraw/zinc/82/15/30/561821530.db2.gz ATFWOQIWHIWWBL-JGVFFNPUSA-N -1 1 370.254 2.482 20 0 FEADMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)C1(C)C ZINC000332511455 554459095 /nfs/dbraw/zinc/45/90/95/554459095.db2.gz ZPNXEDGTHLMBOC-ZFWWWQNUSA-N -1 1 365.854 2.324 20 0 FEADMM Cc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)OCO2 ZINC000510137485 561826344 /nfs/dbraw/zinc/82/63/44/561826344.db2.gz XCIQFSCARZQYPF-UHFFFAOYSA-N -1 1 353.327 2.362 20 0 FEADMM COc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc(Cl)c1[O-] ZINC000332718518 554502688 /nfs/dbraw/zinc/50/26/88/554502688.db2.gz JRDBCTYSNMFMQS-BZNIZROVSA-N -1 1 369.845 2.352 20 0 FEADMM COc1cc(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)cc(Cl)c1[O-] ZINC000333209646 554589160 /nfs/dbraw/zinc/58/91/60/554589160.db2.gz BGIJLKYCQBRPJY-PIGZYNQJSA-N -1 1 355.818 2.464 20 0 FEADMM CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000333270043 554596635 /nfs/dbraw/zinc/59/66/35/554596635.db2.gz NMSKGCFEZSQKPQ-ZBFHGGJFSA-N -1 1 352.394 2.276 20 0 FEADMM C[C@@H](N=c1ccc(N2CCOC3(CCOCC3)C2)n[n-]1)c1ccccc1 ZINC000333523362 554620838 /nfs/dbraw/zinc/62/08/38/554620838.db2.gz WNPYWONXMWIQBW-MRXNPFEDSA-N -1 1 354.454 3.036 20 0 FEADMM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2nnc(-c3ccco3)s2)o1 ZINC000510979174 561852934 /nfs/dbraw/zinc/85/29/34/561852934.db2.gz OGRZUIQYPYBXFJ-UHFFFAOYSA-N -1 1 353.381 2.188 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(C2CCOCC2)no1 ZINC000349843258 554745060 /nfs/dbraw/zinc/74/50/60/554745060.db2.gz GWAJDMFQLMGTLE-UHFFFAOYSA-N -1 1 353.382 2.420 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3nccc4ccccc43)no2)o1 ZINC000349877691 554747387 /nfs/dbraw/zinc/74/73/87/554747387.db2.gz KQLXWTYCUDZQKI-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM NC(=O)Cc1ccc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)cc1 ZINC000350153379 554763384 /nfs/dbraw/zinc/76/33/84/554763384.db2.gz GOCPFGABGDOWLV-UHFFFAOYSA-N -1 1 373.372 2.386 20 0 FEADMM O=C1CNC(=O)N1Cc1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000350575238 554799427 /nfs/dbraw/zinc/79/94/27/554799427.db2.gz IIBGHXPBVHDROJ-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM CCOc1cc(-c2noc(C[C@H]3CCS(=O)(=O)C3)n2)cc(Cl)c1[O-] ZINC000350775262 554812505 /nfs/dbraw/zinc/81/25/05/554812505.db2.gz GHMSQKCOOYHNKW-SECBINFHSA-N -1 1 372.830 2.472 20 0 FEADMM C[C@@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccccc1C(F)(F)F ZINC000360939302 554896298 /nfs/dbraw/zinc/89/62/98/554896298.db2.gz CDQFAZNOMQCHBV-GXFFZTMASA-N -1 1 369.347 2.312 20 0 FEADMM CO[C@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2ncccc2[O-])C1 ZINC000362703220 554981937 /nfs/dbraw/zinc/98/19/37/554981937.db2.gz FFJSLOIKTOPNJE-ZFWWWQNUSA-N -1 1 365.393 2.175 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000363349510 555083652 /nfs/dbraw/zinc/08/36/52/555083652.db2.gz VUTHYFWDVVZMPN-CQSZACIVSA-N -1 1 368.459 2.173 20 0 FEADMM CCc1cccc2c1OCC[C@H]2NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512019971 561889277 /nfs/dbraw/zinc/88/92/77/561889277.db2.gz MAVJXLJYSXUNCP-OAHLLOKOSA-N -1 1 352.394 2.490 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOc3c(C)cc(C)cc32)o1 ZINC000363680251 555162404 /nfs/dbraw/zinc/16/24/04/555162404.db2.gz TXTSTMSKLBJAQK-ZDUSSCGKSA-N -1 1 364.423 2.058 20 0 FEADMM CC1(CN2CCOCC2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000363994553 555229645 /nfs/dbraw/zinc/22/96/45/555229645.db2.gz BRQPIRRAMHCKMF-UHFFFAOYSA-N -1 1 354.397 2.245 20 0 FEADMM O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364058591 555242320 /nfs/dbraw/zinc/24/23/20/555242320.db2.gz WMNUUSDKOVXTDU-MAUKXSAKSA-N -1 1 368.433 2.445 20 0 FEADMM Cc1oc(C)c(S(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)c1C(=O)[O-] ZINC000364119073 555253576 /nfs/dbraw/zinc/25/35/76/555253576.db2.gz IXZJWRMYAPGVAC-AWEZNQCLSA-N -1 1 370.471 2.234 20 0 FEADMM CCCC(=O)N1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2Br)C1 ZINC000616011145 555263503 /nfs/dbraw/zinc/26/35/03/555263503.db2.gz VXVTXXRBRLHVEF-JTQLQIEISA-N -1 1 357.252 2.458 20 0 FEADMM Cc1nnc(C2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)[nH]1 ZINC000364346314 555295942 /nfs/dbraw/zinc/29/59/42/555295942.db2.gz OBFYBBIRTGSFLZ-UHFFFAOYSA-N -1 1 358.446 2.234 20 0 FEADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)ccc2NC1=O ZINC000364353714 555297237 /nfs/dbraw/zinc/29/72/37/555297237.db2.gz IICZTZBTNKTIGV-UHFFFAOYSA-N -1 1 373.390 2.135 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1C ZINC000364555237 555337141 /nfs/dbraw/zinc/33/71/41/555337141.db2.gz GSGDKLMCSYYIRC-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC(C)(C)CC)CC2)n1 ZINC000364758670 555395628 /nfs/dbraw/zinc/39/56/28/555395628.db2.gz KMGGQYIFNPAWHO-UHFFFAOYSA-N -1 1 351.451 2.307 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@]2(CCOC2)C1)c1c(Cl)ccnc1Cl ZINC000364893590 555428891 /nfs/dbraw/zinc/42/88/91/555428891.db2.gz ZIQHQTOJOBHUKH-ZANVPECISA-N -1 1 367.254 2.005 20 0 FEADMM Cc1ccc(Cl)cc1N1C[C@H](C(=O)[N-]OC[C@H]2CCOC2)CC1=O ZINC000364983749 555457112 /nfs/dbraw/zinc/45/71/12/555457112.db2.gz NOJOZRGVZBDSMP-QWHCGFSZSA-N -1 1 352.818 2.086 20 0 FEADMM CC(C)N1CCc2nc(CN=c3[n-]nc(-c4ccncc4)o3)sc2C1 ZINC000365294178 555534775 /nfs/dbraw/zinc/53/47/75/555534775.db2.gz VQLOTMONTZXJIW-UHFFFAOYSA-N -1 1 356.455 2.967 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ncccc3C)CC2)o1 ZINC000366138581 555762123 /nfs/dbraw/zinc/76/21/23/555762123.db2.gz NDOZRUGAHXMTCI-UHFFFAOYSA-N -1 1 364.423 2.170 20 0 FEADMM C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1csc(=O)[nH]1 ZINC000366202764 555780160 /nfs/dbraw/zinc/78/01/60/555780160.db2.gz LOWWSXYTODOVTN-CJNGLKHVSA-N -1 1 361.467 2.210 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2OC)c1 ZINC000513847461 561952217 /nfs/dbraw/zinc/95/22/17/561952217.db2.gz LNOWBXLXTBMVIM-RHSMWYFYSA-N -1 1 365.407 2.083 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2OC)c1 ZINC000513848767 561952506 /nfs/dbraw/zinc/95/25/06/561952506.db2.gz NCWKTPIJNBLCCP-VIFPVBQESA-N -1 1 357.359 2.253 20 0 FEADMM CC(C)(NC(=O)Cc1c[nH]c2cccc(Br)c12)c1nn[n-]n1 ZINC000514005960 561957694 /nfs/dbraw/zinc/95/76/94/561957694.db2.gz WNCXIQNQEFUCBL-UHFFFAOYSA-N -1 1 363.219 2.038 20 0 FEADMM O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366646158 555898084 /nfs/dbraw/zinc/89/80/84/555898084.db2.gz VFKCXOOOEDXFBK-GFCCVEGCSA-N -1 1 372.429 2.411 20 0 FEADMM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000366993434 555991957 /nfs/dbraw/zinc/99/19/57/555991957.db2.gz CHKDPTAQQLMUFU-NSHDSACASA-N -1 1 361.254 2.478 20 0 FEADMM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000366993432 555992096 /nfs/dbraw/zinc/99/20/96/555992096.db2.gz CHKDPTAQQLMUFU-LLVKDONJSA-N -1 1 361.254 2.478 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000367392118 556036145 /nfs/dbraw/zinc/03/61/45/556036145.db2.gz MDJLSCSLOFFNBN-OPYWOCCESA-N -1 1 369.387 2.489 20 0 FEADMM O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1c(F)ccc([O-])c1F ZINC000367394670 556036846 /nfs/dbraw/zinc/03/68/46/556036846.db2.gz QJYGXFQUXSGXTK-CYBMUJFWSA-N -1 1 364.323 2.340 20 0 FEADMM COCCCO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000367743012 556127802 /nfs/dbraw/zinc/12/78/02/556127802.db2.gz YGJNLNHWUYVUDJ-GOEBONIOSA-N -1 1 354.834 2.334 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC000368019289 556196460 /nfs/dbraw/zinc/19/64/60/556196460.db2.gz LONOATZQXYILTR-UHFFFAOYSA-N -1 1 366.377 2.104 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccncc3)c2C)cn1 ZINC000368076913 556212271 /nfs/dbraw/zinc/21/22/71/556212271.db2.gz SCDPAKFHMCRWCM-UHFFFAOYSA-N -1 1 359.411 2.375 20 0 FEADMM C[C@]1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)OCCc2sccc21 ZINC000368354602 556285819 /nfs/dbraw/zinc/28/58/19/556285819.db2.gz JKLHDANZYDJQCP-MRXNPFEDSA-N -1 1 360.464 2.297 20 0 FEADMM COc1cccc(-n2cc(CNC(=O)c3c(F)ccc([O-])c3F)nn2)c1 ZINC000368566023 556347510 /nfs/dbraw/zinc/34/75/10/556347510.db2.gz GPOUYRXZSPRNIN-UHFFFAOYSA-N -1 1 360.320 2.190 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000368726798 556399052 /nfs/dbraw/zinc/39/90/52/556399052.db2.gz FHDBZYQPRZAJFO-WCQYABFASA-N -1 1 368.227 2.365 20 0 FEADMM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)c2cc(-c3cccs3)n[nH]2)s1 ZINC000368731398 556399771 /nfs/dbraw/zinc/39/97/71/556399771.db2.gz DOTSWNLESICKFD-UHFFFAOYSA-N -1 1 357.424 2.941 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)CCCN3C(=O)CN(C)C3=O)[nH][n-]2)s1 ZINC000623493254 556431359 /nfs/dbraw/zinc/43/13/59/556431359.db2.gz DTHGHVBTVOWZGV-UHFFFAOYSA-N -1 1 361.427 2.059 20 0 FEADMM CCOc1cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc(Cl)c1[O-] ZINC000515999956 562027622 /nfs/dbraw/zinc/02/76/22/562027622.db2.gz BTULNWIVQCYFNE-NEPJUHHUSA-N -1 1 352.818 2.280 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2ccnc2)c1)c1cc(F)c(F)cc1F ZINC000369491654 556610578 /nfs/dbraw/zinc/61/05/78/556610578.db2.gz JDZSQWVQROMZLL-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM Cc1csc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000369983295 556748456 /nfs/dbraw/zinc/74/84/56/556748456.db2.gz DHSSLDGCEVQTKV-UHFFFAOYSA-N -1 1 373.434 2.217 20 0 FEADMM O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)c1nc2ccccc2c(=O)[n-]1 ZINC000370259095 556823304 /nfs/dbraw/zinc/82/33/04/556823304.db2.gz BAKKOCQOFWXGHP-UHFFFAOYSA-N -1 1 363.352 2.382 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000516687137 562054413 /nfs/dbraw/zinc/05/44/13/562054413.db2.gz POAIVSRGNGSYFI-UHFFFAOYSA-N -1 1 371.846 2.203 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000516687137 562054414 /nfs/dbraw/zinc/05/44/14/562054414.db2.gz POAIVSRGNGSYFI-UHFFFAOYSA-N -1 1 371.846 2.203 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl)C1CC1 ZINC000516926924 562065349 /nfs/dbraw/zinc/06/53/49/562065349.db2.gz OUMLOIUEDZFVSE-LBPRGKRZSA-N -1 1 367.254 2.259 20 0 FEADMM O=C(C1c2ccccc2Oc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370855171 556992071 /nfs/dbraw/zinc/99/20/71/556992071.db2.gz IGTDTBJTMIGYFU-MRXNPFEDSA-N -1 1 363.377 2.037 20 0 FEADMM O=C(CSc1cc(Cl)ccc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370861830 556994356 /nfs/dbraw/zinc/99/43/56/556994356.db2.gz YKMVSXSJMUOBIE-SNVBAGLBSA-N -1 1 374.253 2.199 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000517344939 562085973 /nfs/dbraw/zinc/08/59/73/562085973.db2.gz BNZPRXXLOQXPEH-UHFFFAOYSA-N -1 1 370.308 2.390 20 0 FEADMM CO[C@H]1C[C@H](C(=O)[O-])N(CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000517382529 562087951 /nfs/dbraw/zinc/08/79/51/562087951.db2.gz YMLURDSLRUDPQK-DZGCQCFKSA-N -1 1 363.389 2.291 20 0 FEADMM CCc1nccc([C@@H]2CCCN(CC(=O)[N-]OCc3ccccc3)C2)n1 ZINC000371386943 557169940 /nfs/dbraw/zinc/16/99/40/557169940.db2.gz GEKZDTDGGIXGPQ-QGZVFWFLSA-N -1 1 354.454 2.466 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCCCO ZINC000517617182 562093903 /nfs/dbraw/zinc/09/39/03/562093903.db2.gz QSXKJNOENYYXJQ-UHFFFAOYSA-N -1 1 370.254 2.221 20 0 FEADMM CN1C(=O)C[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@H]1c1cccs1 ZINC000371797346 557296079 /nfs/dbraw/zinc/29/60/79/557296079.db2.gz SUPPGWIINVGOIO-HZMBPMFUSA-N -1 1 368.422 2.086 20 0 FEADMM CN1C(=O)C[C@@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@@H]1c1cccs1 ZINC000371797348 557296134 /nfs/dbraw/zinc/29/61/34/557296134.db2.gz SUPPGWIINVGOIO-QMTHXVAHSA-N -1 1 368.422 2.086 20 0 FEADMM CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)CC1 ZINC000371851650 557311553 /nfs/dbraw/zinc/31/15/53/557311553.db2.gz HEDUYIMQQVDNMN-UHFFFAOYSA-N -1 1 354.472 2.054 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)CC1 ZINC000371851650 557311555 /nfs/dbraw/zinc/31/15/55/557311555.db2.gz HEDUYIMQQVDNMN-UHFFFAOYSA-N -1 1 354.472 2.054 20 0 FEADMM COCCc1nc(=N[C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)s[n-]1 ZINC000371862603 557314025 /nfs/dbraw/zinc/31/40/25/557314025.db2.gz FXBFNQWRZQHKSG-BXUZGUMPSA-N -1 1 367.544 2.236 20 0 FEADMM CCN1C(=O)N=NC1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000371973970 557344408 /nfs/dbraw/zinc/34/44/08/557344408.db2.gz RKHVETUUXXLNIZ-UHFFFAOYSA-N -1 1 350.806 2.382 20 0 FEADMM O=C(c1ncccc1Oc1ccccc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000518678565 562116313 /nfs/dbraw/zinc/11/63/13/562116313.db2.gz OSVIKTLVPQZXMG-ZDUSSCGKSA-N -1 1 350.382 2.407 20 0 FEADMM CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@H](c4nn[n-]n4)C3)c21 ZINC000372279346 557428656 /nfs/dbraw/zinc/42/86/56/557428656.db2.gz YSQLBZSTHQGQRV-LBPRGKRZSA-N -1 1 354.414 2.028 20 0 FEADMM O=C([O-])C1(NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCOCC1 ZINC000519331128 562129306 /nfs/dbraw/zinc/12/93/06/562129306.db2.gz LTADLBMJDFUHNK-UHFFFAOYSA-N -1 1 354.313 2.256 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccc(OC)cc2)o1 ZINC000519377215 562130441 /nfs/dbraw/zinc/13/04/41/562130441.db2.gz FRJHCPVHIKSSRX-LBPRGKRZSA-N -1 1 367.423 2.374 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1C ZINC000519469061 562132308 /nfs/dbraw/zinc/13/23/08/562132308.db2.gz NBGFVIKGMMRQJE-UHFFFAOYSA-N -1 1 350.352 2.491 20 0 FEADMM CCCc1nc([C@H]([N-]S(=O)(=O)Cc2ccon2)c2ccccc2)no1 ZINC000372624311 557524286 /nfs/dbraw/zinc/52/42/86/557524286.db2.gz FNHNUTIBYOWLIB-OAHLLOKOSA-N -1 1 362.411 2.219 20 0 FEADMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000372672632 557534223 /nfs/dbraw/zinc/53/42/23/557534223.db2.gz DXISIASKHNGMPY-HIFRSBDPSA-N -1 1 361.467 2.347 20 0 FEADMM Cc1cc(Oc2ccc([N-]S(C)(=O)=O)nc2)nc(-c2ccccn2)n1 ZINC000519786013 562143969 /nfs/dbraw/zinc/14/39/69/562143969.db2.gz IOEBGHOIKNEPIU-UHFFFAOYSA-N -1 1 357.395 2.406 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC(O)(c4ccc(F)cc4)C3)cnc2n1 ZINC000373372701 557681490 /nfs/dbraw/zinc/68/14/90/557681490.db2.gz JCVZGRQWCPUJIH-UHFFFAOYSA-N -1 1 353.353 2.127 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC(O)(c4ccc(F)cc4)C3)c[n-]c2n1 ZINC000373372701 557681494 /nfs/dbraw/zinc/68/14/94/557681494.db2.gz JCVZGRQWCPUJIH-UHFFFAOYSA-N -1 1 353.353 2.127 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC([C@@H]2CCOC2)C1 ZINC000373427949 557691404 /nfs/dbraw/zinc/69/14/04/557691404.db2.gz SBTUZLKSCGAUPW-SECBINFHSA-N -1 1 373.190 2.105 20 0 FEADMM CC[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@]2(CCCOC2)O1 ZINC000373657167 557732773 /nfs/dbraw/zinc/73/27/73/557732773.db2.gz VZDRYKBLKVOUNC-XOBRGWDASA-N -1 1 371.437 2.444 20 0 FEADMM CC[C@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@]2(CCCOC2)O1 ZINC000373657167 557732774 /nfs/dbraw/zinc/73/27/74/557732774.db2.gz VZDRYKBLKVOUNC-XOBRGWDASA-N -1 1 371.437 2.444 20 0 FEADMM Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000373749327 557751201 /nfs/dbraw/zinc/75/12/01/557751201.db2.gz AGJFKAHEYKSQFG-LBPRGKRZSA-N -1 1 374.788 2.030 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-][C@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000373867693 557776781 /nfs/dbraw/zinc/77/67/81/557776781.db2.gz GCZODXOGXDDPEU-OCCSQVGLSA-N -1 1 353.444 2.388 20 0 FEADMM O=c1cc(CN2CCNC(=O)[C@H]2c2ccccc2F)c2ccc([O-])cc2o1 ZINC000374597565 557904464 /nfs/dbraw/zinc/90/44/64/557904464.db2.gz UFLIQXJKTYUAEH-LJQANCHMSA-N -1 1 368.364 2.311 20 0 FEADMM CS(=O)(=O)Nc1cn[nH]c1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000374808932 557934777 /nfs/dbraw/zinc/93/47/77/557934777.db2.gz SKELXMBPURYYDC-GFCCVEGCSA-N -1 1 363.443 2.193 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000374855715 557941702 /nfs/dbraw/zinc/94/17/02/557941702.db2.gz OLMORJGJXHSMSO-UHFFFAOYSA-N -1 1 357.801 2.250 20 0 FEADMM O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000375234128 557996161 /nfs/dbraw/zinc/99/61/61/557996161.db2.gz ORWSTJNCICUWOK-SNVBAGLBSA-N -1 1 361.711 2.086 20 0 FEADMM Cc1cc(S(=O)(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc(C(=O)[O-])c1Cl ZINC000375575677 558051382 /nfs/dbraw/zinc/05/13/82/558051382.db2.gz AEHWJEYDPSVREO-BXUZGUMPSA-N -1 1 372.874 2.061 20 0 FEADMM Cc1nc(S(=O)(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)n[n-]1 ZINC000375636687 558060449 /nfs/dbraw/zinc/06/04/49/558060449.db2.gz PCQXEQVPKHDCIZ-UHFFFAOYSA-N -1 1 373.316 2.156 20 0 FEADMM C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000376174900 558136896 /nfs/dbraw/zinc/13/68/96/558136896.db2.gz UWQNQDVZKFIMEC-OUAUKWLOSA-N -1 1 350.410 2.280 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)C[C@H]1CCCOC1 ZINC000521683863 562182096 /nfs/dbraw/zinc/18/20/96/562182096.db2.gz JXQAXSWYRFESKW-OAHLLOKOSA-N -1 1 370.453 2.370 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC(Cc4cccnc4)CC3)ccnc1-2 ZINC000376592972 558194945 /nfs/dbraw/zinc/19/49/45/558194945.db2.gz OMFLYQFIONMIMZ-QJOMJCCJSA-N -1 1 350.426 2.223 20 0 FEADMM Cc1ccc(C2CCN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CC2)cn1 ZINC000376624276 558199215 /nfs/dbraw/zinc/19/92/15/558199215.db2.gz YBOPQWDBERILQR-QJOMJCCJSA-N -1 1 350.426 2.457 20 0 FEADMM Cn1cc(-c2cccc(CNC(=O)/N=c3/ccnc4n(C)[n-]cc3-4)c2)cn1 ZINC000376673909 558206236 /nfs/dbraw/zinc/20/62/36/558206236.db2.gz RGVPILCJORAETF-ULJHMMPZSA-N -1 1 361.409 2.064 20 0 FEADMM O=C(N=c1[n-]nc(C=Cc2ccco2)s1)N[C@H]1CCc2nc[nH]c2C1 ZINC000377395331 558332911 /nfs/dbraw/zinc/33/29/11/558332911.db2.gz DPUQTJRFANUYMG-RWCYGVJQSA-N -1 1 356.411 2.704 20 0 FEADMM Cc1sc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nc1C(=O)[O-] ZINC000522060243 562190696 /nfs/dbraw/zinc/19/06/96/562190696.db2.gz IVYUHVDSURFQKH-SWLSCSKDSA-N -1 1 363.487 2.403 20 0 FEADMM Cc1noc([C@H]2CCCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)n1 ZINC000377452230 558343745 /nfs/dbraw/zinc/34/37/45/558343745.db2.gz XDOFXCRWMPYDRY-LBPRGKRZSA-N -1 1 353.382 2.355 20 0 FEADMM Cc1noc([C@H]2CCCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)n1 ZINC000377452230 558343747 /nfs/dbraw/zinc/34/37/47/558343747.db2.gz XDOFXCRWMPYDRY-LBPRGKRZSA-N -1 1 353.382 2.355 20 0 FEADMM CC1CCC(N(C(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)C2CC2)CC1 ZINC000377530657 558358883 /nfs/dbraw/zinc/35/88/83/558358883.db2.gz QGBQFCYMPRTPGC-UHFFFAOYSA-N -1 1 361.490 2.259 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000377560902 558364365 /nfs/dbraw/zinc/36/43/65/558364365.db2.gz RHSKBQPLCAQSHQ-OAHLLOKOSA-N -1 1 362.451 2.283 20 0 FEADMM Cc1cc(C)c(N2CC[C@H](N3CCC(c4n[nH]c(=O)[n-]4)CC3)C2=O)c(C)c1 ZINC000377594418 558373358 /nfs/dbraw/zinc/37/33/58/558373358.db2.gz SZTPEPAIWCDJGB-INIZCTEOSA-N -1 1 369.469 2.420 20 0 FEADMM C[C@@]1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)OCCc2sccc21 ZINC000378005332 558461520 /nfs/dbraw/zinc/46/15/20/558461520.db2.gz FEGLEFHWTFLGGM-SFHVURJKSA-N -1 1 355.419 2.203 20 0 FEADMM COc1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1-c1ccccn1 ZINC000378312478 558526876 /nfs/dbraw/zinc/52/68/76/558526876.db2.gz FPOQSNWWEVUQBB-UHFFFAOYSA-N -1 1 371.422 2.212 20 0 FEADMM CCn1ccnc1NC(=O)c1cc(I)ccc1[O-] ZINC000382392290 558604227 /nfs/dbraw/zinc/60/42/27/558604227.db2.gz OPQTZVBKBVRXFA-UHFFFAOYSA-N -1 1 357.151 2.466 20 0 FEADMM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000391666602 558614632 /nfs/dbraw/zinc/61/46/32/558614632.db2.gz RGBHMVOIGLAAIG-UHFFFAOYSA-N -1 1 368.436 2.305 20 0 FEADMM C[C@@H]1Sc2ccc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)cc2NC1=O ZINC000408000204 558637039 /nfs/dbraw/zinc/63/70/39/558637039.db2.gz YAZJLVFTBRIWGV-ONGXEEELSA-N -1 1 374.422 2.228 20 0 FEADMM O=S1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000408299704 558664906 /nfs/dbraw/zinc/66/49/06/558664906.db2.gz VWXUKZVZYYQZBP-UHFFFAOYSA-N -1 1 360.259 2.322 20 0 FEADMM Cc1ccc(NC(=O)c2cnnn2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000409459308 558693916 /nfs/dbraw/zinc/69/39/16/558693916.db2.gz PAMGXBOSRMEQPH-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000410286410 558749735 /nfs/dbraw/zinc/74/97/35/558749735.db2.gz GNWWVVFVGOKNBD-UHFFFAOYSA-N -1 1 359.773 2.638 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000410303638 558750807 /nfs/dbraw/zinc/75/08/07/558750807.db2.gz QJIIUBAQVYUIJI-UHFFFAOYSA-N -1 1 369.812 3.045 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)on1 ZINC000524945977 562238073 /nfs/dbraw/zinc/23/80/73/562238073.db2.gz IWKOAFPCTWDDLS-UHFFFAOYSA-N -1 1 369.830 2.254 20 0 FEADMM CO[C@H](C)CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000525380594 562246916 /nfs/dbraw/zinc/24/69/16/562246916.db2.gz AVVCIDMNMVGLHZ-GFCCVEGCSA-N -1 1 360.476 2.242 20 0 FEADMM COc1cc(NC(=O)N2CCS[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000525415254 562247753 /nfs/dbraw/zinc/24/77/53/562247753.db2.gz IBJDBPAZMDTIKQ-JTQLQIEISA-N -1 1 359.473 2.036 20 0 FEADMM CN(C)C(=O)c1ccc(=NCC2(c3cccc(Cl)c3)CCOCC2)[n-]n1 ZINC000413064948 559074220 /nfs/dbraw/zinc/07/42/20/559074220.db2.gz CMXVYDOYDKEHFI-UHFFFAOYSA-N -1 1 374.872 2.992 20 0 FEADMM CCCCCc1nnc([N-]C(=O)c2ncccc2S(C)(=O)=O)s1 ZINC000413204663 559088328 /nfs/dbraw/zinc/08/83/28/559088328.db2.gz JHBABTCUHJPWIL-UHFFFAOYSA-N -1 1 354.457 2.322 20 0 FEADMM CO[C@](C)([C@@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000413966766 559143849 /nfs/dbraw/zinc/14/38/49/559143849.db2.gz ZVYAMKTWHCNGMO-PIGZYNQJSA-N -1 1 353.488 2.465 20 0 FEADMM Cc1cccc(Cl)c1S(=O)(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000414380238 559159904 /nfs/dbraw/zinc/15/99/04/559159904.db2.gz IJIUTIJLULEOTC-UHFFFAOYSA-N -1 1 351.762 2.784 20 0 FEADMM Cc1nncn1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000414461845 559165741 /nfs/dbraw/zinc/16/57/41/559165741.db2.gz PALXCKBOIIZQCK-UHFFFAOYSA-N -1 1 353.206 2.011 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)nc3c2CCCC3)oc1C ZINC000414463270 559165804 /nfs/dbraw/zinc/16/58/04/559165804.db2.gz GMYBSGMCHHNAOA-UHFFFAOYSA-N -1 1 364.423 2.180 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1F ZINC000414481826 559167809 /nfs/dbraw/zinc/16/78/09/559167809.db2.gz WQYPLINHGHAZBT-NSHDSACASA-N -1 1 357.325 2.478 20 0 FEADMM O=C([O-])CCNC(=O)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000414608320 559175103 /nfs/dbraw/zinc/17/51/03/559175103.db2.gz JQDIOBAUJJPGPE-UHFFFAOYSA-N -1 1 363.502 2.395 20 0 FEADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1=O ZINC000414655550 559177639 /nfs/dbraw/zinc/17/76/39/559177639.db2.gz JTMWLMHAGJLLTB-IAGOWNOFSA-N -1 1 360.360 2.481 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000416186773 559297101 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FEADMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCC(=O)N1 ZINC000416504052 559318371 /nfs/dbraw/zinc/31/83/71/559318371.db2.gz YRIMHJSEKQMJBL-LBPRGKRZSA-N -1 1 355.218 2.080 20 0 FEADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)c1ccccc1F ZINC000416638955 559326764 /nfs/dbraw/zinc/32/67/64/559326764.db2.gz AGGCJWOZSWGVPX-OAHLLOKOSA-N -1 1 353.419 2.291 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)(C(=O)OC)c1ccccc1 ZINC000420677435 559497257 /nfs/dbraw/zinc/49/72/57/559497257.db2.gz MSIVXONLQGJURJ-AEFFLSMTSA-N -1 1 371.499 2.445 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1cc(C)cc(C)c1 ZINC000420683006 559497563 /nfs/dbraw/zinc/49/75/63/559497563.db2.gz BJGOPCNVHSLOHA-IAGOWNOFSA-N -1 1 371.499 2.498 20 0 FEADMM CC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000420740978 559501729 /nfs/dbraw/zinc/50/17/29/559501729.db2.gz HHOPMZHGPPSNNG-SSDOTTSWSA-N -1 1 360.632 2.291 20 0 FEADMM CON1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000420754650 559502363 /nfs/dbraw/zinc/50/23/63/559502363.db2.gz WYSNUNRKWDTHRI-UHFFFAOYSA-N -1 1 357.234 2.437 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000421143488 559526445 /nfs/dbraw/zinc/52/64/45/559526445.db2.gz ALPXWYPBXQSUFT-HJPURHCSSA-N -1 1 367.492 2.423 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000421143493 559526533 /nfs/dbraw/zinc/52/65/33/559526533.db2.gz ALPXWYPBXQSUFT-MWTRTKDXSA-N -1 1 367.492 2.423 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000421236697 559532871 /nfs/dbraw/zinc/53/28/71/559532871.db2.gz APTHJJDWCRWNGY-UHFFFAOYSA-N -1 1 352.750 2.423 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nnn(Cc3ccccc3)c2CC)n1 ZINC000421540147 559544692 /nfs/dbraw/zinc/54/46/92/559544692.db2.gz JZMDGAJGTXJBAX-UHFFFAOYSA-N -1 1 368.397 2.041 20 0 FEADMM CC[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000421664844 559548844 /nfs/dbraw/zinc/54/88/44/559548844.db2.gz RMUVZOLWGAIPEW-VXGBXAGGSA-N -1 1 358.460 2.044 20 0 FEADMM CC[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000421664837 559548907 /nfs/dbraw/zinc/54/89/07/559548907.db2.gz RMUVZOLWGAIPEW-NEPJUHHUSA-N -1 1 358.460 2.044 20 0 FEADMM CCc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nnn1Cc1ccccc1 ZINC000421749569 559551931 /nfs/dbraw/zinc/55/19/31/559551931.db2.gz QXYMYYYBWRNFHG-UHFFFAOYSA-N -1 1 365.319 2.278 20 0 FEADMM CCc1nc(=NC(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)[n-][nH]1 ZINC000421782468 559553370 /nfs/dbraw/zinc/55/33/70/559553370.db2.gz CRHNVSUFAKKSBW-UHFFFAOYSA-N -1 1 354.389 2.741 20 0 FEADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@H](CC)O1 ZINC000421939011 559557495 /nfs/dbraw/zinc/55/74/95/559557495.db2.gz ADLCBWQNROUOFZ-GJZGRUSLSA-N -1 1 360.458 2.400 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)[C@@H]1C(=O)[O-] ZINC000424365692 559662039 /nfs/dbraw/zinc/66/20/39/559662039.db2.gz HMAWKXUVOKOQPW-PELKAZGASA-N -1 1 367.345 2.285 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc2)c1 ZINC000425037682 559684660 /nfs/dbraw/zinc/68/46/60/559684660.db2.gz UBRIMLMQUAVKKO-IAGOWNOFSA-N -1 1 374.462 2.357 20 0 FEADMM C[C@H](N=c1ccc(N2CCN(Cc3ccon3)CC2)n[n-]1)c1ccccc1 ZINC000425227263 559692361 /nfs/dbraw/zinc/69/23/61/559692361.db2.gz IQUAGDYDQMTBPV-INIZCTEOSA-N -1 1 364.453 2.960 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@H](CS(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425267024 559694210 /nfs/dbraw/zinc/69/42/10/559694210.db2.gz KJJKKDUPBYUEFD-JKSUJKDBSA-N -1 1 374.510 2.911 20 0 FEADMM C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425315327 559696174 /nfs/dbraw/zinc/69/61/74/559696174.db2.gz BAXBZPVDEBFGOQ-LBPRGKRZSA-N -1 1 367.409 2.303 20 0 FEADMM CCn1cc(Br)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425314902 559696233 /nfs/dbraw/zinc/69/62/33/559696233.db2.gz ASDIJABEVWPANC-UHFFFAOYSA-N -1 1 369.219 2.379 20 0 FEADMM O=C(c1ccn(Cc2ccccc2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425324161 559696587 /nfs/dbraw/zinc/69/65/87/559696587.db2.gz QCYMFVHNZNFGBM-UHFFFAOYSA-N -1 1 353.382 2.040 20 0 FEADMM C[C@H]1CCCN(c2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)ccn2)C1 ZINC000425323552 559696712 /nfs/dbraw/zinc/69/67/12/559696712.db2.gz PDARCKJAVZTBFO-ZDUSSCGKSA-N -1 1 371.441 2.426 20 0 FEADMM CCO[C@@H](C)c1nc(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cs1 ZINC000425320936 559696731 /nfs/dbraw/zinc/69/67/31/559696731.db2.gz MACNZANGJGWLDZ-JTQLQIEISA-N -1 1 366.443 2.278 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000426723993 559741003 /nfs/dbraw/zinc/74/10/03/559741003.db2.gz OWORVPPJCNHWEW-UGSOOPFHSA-N -1 1 359.451 2.109 20 0 FEADMM O=C([O-])[C@H](Cc1ccco1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426770923 559741594 /nfs/dbraw/zinc/74/15/94/559741594.db2.gz XJHBKQGGZBEJIT-HNNXBMFYSA-N -1 1 364.764 2.438 20 0 FEADMM COc1ccccc1[C@H](NCc1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000426823380 559742419 /nfs/dbraw/zinc/74/24/19/559742419.db2.gz IRMAVHNRVGUQAB-KRWDZBQOSA-N -1 1 359.378 2.391 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2c(F)cccc2CO)CCCCC1 ZINC000427267530 559751817 /nfs/dbraw/zinc/75/18/17/559751817.db2.gz PIJGBLXYYBKJJM-UHFFFAOYSA-N -1 1 359.419 2.183 20 0 FEADMM O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1cc(=O)n2[n-]cnc2n1 ZINC000427803166 559762968 /nfs/dbraw/zinc/76/29/68/559762968.db2.gz FFNSEUXPXYQHEC-UHFFFAOYSA-N -1 1 371.360 2.213 20 0 FEADMM CCOc1cc(NC2CCN(C(=O)c3ncc(C)cc3[O-])CC2)ncn1 ZINC000427810366 559763221 /nfs/dbraw/zinc/76/32/21/559763221.db2.gz YZVVZGAPJKHIFR-UHFFFAOYSA-N -1 1 357.414 2.001 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000428099880 559769730 /nfs/dbraw/zinc/76/97/30/559769730.db2.gz CLYBREWNDKDCKH-UHFFFAOYSA-N -1 1 366.370 2.077 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)n1 ZINC000428712599 559781647 /nfs/dbraw/zinc/78/16/47/559781647.db2.gz YKSCBEQTGVYMFF-UHFFFAOYSA-N -1 1 372.406 2.472 20 0 FEADMM COCCC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000428729095 559781902 /nfs/dbraw/zinc/78/19/02/559781902.db2.gz TTWRCDTVOMHEEI-UHFFFAOYSA-N -1 1 356.426 2.028 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N=c2cc(OC(F)F)n(C)[nH]2)N(C)C)cc1 ZINC000429656438 559803362 /nfs/dbraw/zinc/80/33/62/559803362.db2.gz CRDVLXHOSGGDOS-CYBMUJFWSA-N -1 1 367.400 2.754 20 0 FEADMM O=C(NC1CCCC1)c1ccc(=NCCCn2cnc3ccccc32)[n-]n1 ZINC000432117040 559852377 /nfs/dbraw/zinc/85/23/77/559852377.db2.gz OICNDMCTLOKXAN-UHFFFAOYSA-N -1 1 364.453 3.001 20 0 FEADMM COc1ccc(OC)c(CCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)c1 ZINC000432122785 559852442 /nfs/dbraw/zinc/85/24/42/559852442.db2.gz PJSGNJPIWUKYIB-UHFFFAOYSA-N -1 1 370.453 2.821 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432205396 559854137 /nfs/dbraw/zinc/85/41/37/559854137.db2.gz YHMYSEXDYVQFMD-UHFFFAOYSA-N -1 1 358.375 2.116 20 0 FEADMM COc1ccc(NC(=O)N2CC(C)=C[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000432241817 559854746 /nfs/dbraw/zinc/85/47/46/559854746.db2.gz SRILVPFWDAJPCY-LLVKDONJSA-N -1 1 353.444 2.497 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCC2CC(OC(C)(C)C)C2)c1 ZINC000432303714 559855793 /nfs/dbraw/zinc/85/57/93/559855793.db2.gz SHHAGESMEQKZPA-UHFFFAOYSA-N -1 1 359.444 2.328 20 0 FEADMM NC(=O)c1csc(=N[C@@H]2CCN(c3ccc(Br)cc3)C2)[n-]1 ZINC000432341530 559856878 /nfs/dbraw/zinc/85/68/78/559856878.db2.gz XSTDPMAXQRPFPI-SNVBAGLBSA-N -1 1 367.272 2.695 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c(F)c1 ZINC000432758306 559864079 /nfs/dbraw/zinc/86/40/79/559864079.db2.gz FKLKKGKFENUPTJ-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cs1 ZINC000432779506 559864606 /nfs/dbraw/zinc/86/46/06/559864606.db2.gz KWMGZPIFVLKNET-UHFFFAOYSA-N -1 1 371.392 2.042 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ncnc(CC)c3F)c2)n1 ZINC000432938273 559868160 /nfs/dbraw/zinc/86/81/60/559868160.db2.gz NSLSTZPRZBSRIO-UHFFFAOYSA-N -1 1 370.388 2.752 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@H]3CC3(C)C)c2)n1 ZINC000434182805 559895447 /nfs/dbraw/zinc/89/54/47/559895447.db2.gz LMJKXTGDJUNYNW-CQSZACIVSA-N -1 1 371.441 2.494 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc(-c4ccccc4)n[nH]3)ccc21 ZINC000434971025 559913607 /nfs/dbraw/zinc/91/36/07/559913607.db2.gz GPAKDPWRKATJMC-UHFFFAOYSA-N -1 1 368.418 2.396 20 0 FEADMM COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000435144369 559917028 /nfs/dbraw/zinc/91/70/28/559917028.db2.gz DYCAIHRUNLEVOJ-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM COCCOC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435428585 559922768 /nfs/dbraw/zinc/92/27/68/559922768.db2.gz RKEOKCXGSUVBOZ-QMMMGPOBSA-N -1 1 360.234 2.462 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccnc2)c1-c1ccc2c(c1)OCCO2 ZINC000435937545 559932789 /nfs/dbraw/zinc/93/27/89/559932789.db2.gz OYOQGKRXHLRSDF-UHFFFAOYSA-N -1 1 372.406 2.352 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000436188295 559937187 /nfs/dbraw/zinc/93/71/87/559937187.db2.gz RMCPJLFXPXGLCJ-UHFFFAOYSA-N -1 1 359.766 2.044 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c1 ZINC000436502158 559943593 /nfs/dbraw/zinc/94/35/93/559943593.db2.gz GNWZEBYMVMKUGK-LLVKDONJSA-N -1 1 360.332 2.392 20 0 FEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c1 ZINC000436520479 559944040 /nfs/dbraw/zinc/94/40/40/559944040.db2.gz GMYRHHRLIGDKKQ-UHFFFAOYSA-N -1 1 361.379 2.384 20 0 FEADMM COC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C(=O)OC ZINC000436594400 559946157 /nfs/dbraw/zinc/94/61/57/559946157.db2.gz FBUDTJXFQKCQBR-PBHICJAKSA-N -1 1 371.389 2.112 20 0 FEADMM COC(=O)C1CCC(NC(=O)c2ccc(Cl)cc2[O-])(C(=O)OC)CC1 ZINC000436615336 559946590 /nfs/dbraw/zinc/94/65/90/559946590.db2.gz ABSNWIGUNZEZFW-UHFFFAOYSA-N -1 1 369.801 2.050 20 0 FEADMM CN(CCc1nc(-c2ccccc2)no1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436624824 559946864 /nfs/dbraw/zinc/94/68/64/559946864.db2.gz COAMSBDSXIVOGF-UHFFFAOYSA-N -1 1 351.362 2.326 20 0 FEADMM O=C(c1cccc(O)c1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436628164 559947023 /nfs/dbraw/zinc/94/70/23/559947023.db2.gz OLFRYBOIEIUICV-UHFFFAOYSA-N -1 1 360.797 2.349 20 0 FEADMM CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000436655779 559948006 /nfs/dbraw/zinc/94/80/06/559948006.db2.gz NLUWRNMVNNCRMJ-NSHDSACASA-N -1 1 358.316 2.021 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1O ZINC000436726884 559950226 /nfs/dbraw/zinc/95/02/26/559950226.db2.gz WOLQINDIHDKRPN-UHFFFAOYSA-N -1 1 362.285 2.305 20 0 FEADMM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436734606 559950288 /nfs/dbraw/zinc/95/02/88/559950288.db2.gz KFMHANZVTJSFKN-GFCCVEGCSA-N -1 1 361.419 2.246 20 0 FEADMM C[C@H](NC(=O)c1cc(I)ccc1[O-])c1ccon1 ZINC000436764023 559951165 /nfs/dbraw/zinc/95/11/65/559951165.db2.gz JGYDZPOHRYXIQM-ZETCQYMHSA-N -1 1 358.135 2.476 20 0 FEADMM Cn1ccnc1CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436766460 559951252 /nfs/dbraw/zinc/95/12/52/559951252.db2.gz DMEZTXABPKEKSQ-UHFFFAOYSA-N -1 1 368.359 2.103 20 0 FEADMM COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000436778159 559951606 /nfs/dbraw/zinc/95/16/06/559951606.db2.gz FXYYFDGGMQUPKQ-PXAZEXFGSA-N -1 1 361.369 2.096 20 0 FEADMM COC(=O)c1cc(C(C)(C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)no1 ZINC000436797017 559952198 /nfs/dbraw/zinc/95/21/98/559952198.db2.gz LVSZATXIOKALHP-UHFFFAOYSA-N -1 1 368.773 2.494 20 0 FEADMM CCn1nccc1CN(CCO)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436888814 559955614 /nfs/dbraw/zinc/95/56/14/559955614.db2.gz PBABSGGWXMCERB-UHFFFAOYSA-N -1 1 357.332 2.262 20 0 FEADMM CCO[C@H]1C[C@@](O)(CNC(=O)c2cc(Br)ccc2[O-])C1(C)C ZINC000436994620 559958951 /nfs/dbraw/zinc/95/89/51/559958951.db2.gz NUNJIXIQPROOFV-XJKSGUPXSA-N -1 1 372.259 2.451 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)ccc1C ZINC000436998302 559959223 /nfs/dbraw/zinc/95/92/23/559959223.db2.gz YMISYXUGIXCAMY-UHFFFAOYSA-N -1 1 364.379 2.158 20 0 FEADMM CS(=O)(=O)CCc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1 ZINC000437522317 559965479 /nfs/dbraw/zinc/96/54/79/559965479.db2.gz IDRZUGGIZBTPCR-UHFFFAOYSA-N -1 1 370.434 2.311 20 0 FEADMM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccn(-c3ccncc3)n2)n1 ZINC000438897811 559985402 /nfs/dbraw/zinc/98/54/02/559985402.db2.gz REEQSFQKBLQYFR-UHFFFAOYSA-N -1 1 374.404 2.973 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cn(Cc2ccccn2)nn1 ZINC000439071739 559988111 /nfs/dbraw/zinc/98/81/11/559988111.db2.gz PNDQBVRPPPJYSO-UHFFFAOYSA-N -1 1 361.365 2.069 20 0 FEADMM Cn1[n-]c(CN2CCC(c3ccccc3Br)CC2)nc1=O ZINC000439261800 559990984 /nfs/dbraw/zinc/99/09/84/559990984.db2.gz VBHBPHAHXQYPKS-UHFFFAOYSA-N -1 1 351.248 2.251 20 0 FEADMM C[C@](O)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000440210585 560006821 /nfs/dbraw/zinc/00/68/21/560006821.db2.gz ZLQMUKOTTAXYRT-IBGZPJMESA-N -1 1 374.462 2.378 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)ccc2O1 ZINC000440297222 560008335 /nfs/dbraw/zinc/00/83/35/560008335.db2.gz XUPBGJQCBGWJOU-UHFFFAOYSA-N -1 1 371.422 2.381 20 0 FEADMM CCO[C@@H](C)c1noc(CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])n1 ZINC000440305414 560008442 /nfs/dbraw/zinc/00/84/42/560008442.db2.gz PBZJPWTUNNJGDB-NSHDSACASA-N -1 1 371.397 2.397 20 0 FEADMM CCO[C@@H](C)c1noc(CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)n1 ZINC000440305414 560008443 /nfs/dbraw/zinc/00/84/43/560008443.db2.gz PBZJPWTUNNJGDB-NSHDSACASA-N -1 1 371.397 2.397 20 0 FEADMM COc1cc(C(=O)NCC(=O)N(C)Cc2ccccc2)cc(Cl)c1[O-] ZINC000442728349 560055423 /nfs/dbraw/zinc/05/54/23/560055423.db2.gz DSCGHBNGQZEACP-UHFFFAOYSA-N -1 1 362.813 2.443 20 0 FEADMM COc1cc(C(=O)NCC(=O)NCCc2ccccc2)cc(Cl)c1[O-] ZINC000442941599 560062914 /nfs/dbraw/zinc/06/29/14/560062914.db2.gz FYIXXIYHBMHQKO-UHFFFAOYSA-N -1 1 362.813 2.143 20 0 FEADMM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000443233236 560075574 /nfs/dbraw/zinc/07/55/74/560075574.db2.gz IFIHJDPQBREDOF-WDSKDSINSA-N -1 1 362.698 2.459 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1F ZINC000443464200 560084560 /nfs/dbraw/zinc/08/45/60/560084560.db2.gz VHFXQQUENMPDSD-UHFFFAOYSA-N -1 1 352.387 2.296 20 0 FEADMM Cn1ccc2c([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cccc2c1=O ZINC000443526557 560086460 /nfs/dbraw/zinc/08/64/60/560086460.db2.gz CWYNLKIKJNCQEK-UHFFFAOYSA-N -1 1 358.375 2.068 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)cnc3N)CCCCC2)no1 ZINC000443704358 560090763 /nfs/dbraw/zinc/09/07/63/560090763.db2.gz GKHJXMCSDWAMQG-UHFFFAOYSA-N -1 1 371.850 2.147 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1nn[n-]n1 ZINC000444289351 560108281 /nfs/dbraw/zinc/10/82/81/560108281.db2.gz FSIQNBZLPGCPLB-LBPRGKRZSA-N -1 1 365.393 2.012 20 0 FEADMM CC(C)(NC(=O)c1cc(Cl)cc(Br)c1F)c1nn[n-]n1 ZINC000444298243 560108656 /nfs/dbraw/zinc/10/86/56/560108656.db2.gz MSBDJSUWENYYKN-UHFFFAOYSA-N -1 1 362.590 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C[C@@H](C)c3cccnc3)CC2)n1 ZINC000444761825 560120026 /nfs/dbraw/zinc/12/00/26/560120026.db2.gz PHDAKRGFZHVFDD-CYBMUJFWSA-N -1 1 371.441 2.276 20 0 FEADMM Cc1c2cc(C)ccc2sc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000447389025 560161204 /nfs/dbraw/zinc/16/12/04/560161204.db2.gz YVHTWWXTMJJFCS-UHFFFAOYSA-N -1 1 350.425 2.292 20 0 FEADMM Cc1c2cc(C)ccc2sc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000447389025 560161205 /nfs/dbraw/zinc/16/12/05/560161205.db2.gz YVHTWWXTMJJFCS-UHFFFAOYSA-N -1 1 350.425 2.292 20 0 FEADMM CC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cn1 ZINC000447617096 560165344 /nfs/dbraw/zinc/16/53/44/560165344.db2.gz ABIZIUQGXOBKTO-UHFFFAOYSA-N -1 1 364.199 2.438 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](CC)SC)c2)n1 ZINC000447680357 560166813 /nfs/dbraw/zinc/16/68/13/560166813.db2.gz RDABCIZCXZRNEB-CYBMUJFWSA-N -1 1 362.455 2.406 20 0 FEADMM COc1c(C)cnc(Cn2cnc(NC(=O)c3ccc([O-])cc3F)n2)c1C ZINC000447701430 560167478 /nfs/dbraw/zinc/16/74/78/560167478.db2.gz RKJBRMFFXTXREO-UHFFFAOYSA-N -1 1 371.372 2.444 20 0 FEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000447796623 560169197 /nfs/dbraw/zinc/16/91/97/560169197.db2.gz WRSVABJRTBAXBB-UHFFFAOYSA-N -1 1 374.340 2.256 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1N(C)CCCC1(C)C 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/nfs/dbraw/zinc/29/39/27/560293927.db2.gz XNZUKDHJJOERGW-SECBINFHSA-N -1 1 358.872 2.454 20 0 FEADMM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000451308673 560299335 /nfs/dbraw/zinc/29/93/35/560299335.db2.gz DFOFWCSOZVILCR-JTQLQIEISA-N -1 1 358.872 2.454 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)CCSCC1 ZINC000451351508 560301924 /nfs/dbraw/zinc/30/19/24/560301924.db2.gz JIYMPGZCAPFDCJ-NSHDSACASA-N -1 1 371.471 2.170 20 0 FEADMM CCc1nc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n[nH]1 ZINC000451348738 560301827 /nfs/dbraw/zinc/30/18/27/560301827.db2.gz AEVKZPGNWNDGLS-SSDOTTSWSA-N -1 1 364.349 2.131 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000451351555 560301979 /nfs/dbraw/zinc/30/19/79/560301979.db2.gz FQZMVGVJXMQOSV-AMDVSUOASA-N -1 1 367.336 2.224 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451356661 560302439 /nfs/dbraw/zinc/30/24/39/560302439.db2.gz RQUGBMKWSOCQLC-SECBINFHSA-N -1 1 351.302 2.047 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)CF)c(F)c1 ZINC000451419237 560305796 /nfs/dbraw/zinc/30/57/96/560305796.db2.gz OEDQSQODQOEFIU-UHFFFAOYSA-N -1 1 370.443 2.004 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(OC)c2)o1 ZINC000451954347 560340502 /nfs/dbraw/zinc/34/05/02/560340502.db2.gz AJJFGUMYHWNGTE-UONOGXRCSA-N -1 1 365.407 2.299 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)NC ZINC000452089548 560350615 /nfs/dbraw/zinc/35/06/15/560350615.db2.gz RISOXWKSJRIRHS-VIFPVBQESA-N -1 1 359.662 2.450 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c(F)cccc32)o1 ZINC000452191033 560355133 /nfs/dbraw/zinc/35/51/33/560355133.db2.gz IUVXLTAMLCMVQO-ZDUSSCGKSA-N -1 1 352.387 2.134 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3c(F)cccc32)co1 ZINC000452191945 560355183 /nfs/dbraw/zinc/35/51/83/560355183.db2.gz QTLFMIIMWBQQDM-AWEZNQCLSA-N -1 1 352.387 2.134 20 0 FEADMM CCO[C@@H]1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H]1C ZINC000452834746 560375795 /nfs/dbraw/zinc/37/57/95/560375795.db2.gz QLHSTQNIZSRXMH-BLLLJJGKSA-N -1 1 360.458 2.258 20 0 FEADMM COc1cc(NC(=O)NCCC[C@H]2CCOC2)ccc1[N-]S(C)(=O)=O ZINC000454765745 560457304 /nfs/dbraw/zinc/45/73/04/560457304.db2.gz GJQSUUGWPHUERZ-LBPRGKRZSA-N -1 1 371.459 2.005 20 0 FEADMM COc1ccccc1-c1n[n-]c(=NC(=O)N2CCN(CC3CC3)CC2)s1 ZINC000455808947 560495371 /nfs/dbraw/zinc/49/53/71/560495371.db2.gz INWSZRQBILJTGP-UHFFFAOYSA-N -1 1 373.482 2.773 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCOC[C@@H]1c1ccc(F)cc1)c2=O ZINC000456493776 560522317 /nfs/dbraw/zinc/52/23/17/560522317.db2.gz ZKHIJUOJOYPMCJ-OAHLLOKOSA-N -1 1 356.357 2.027 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC000456848222 560534476 /nfs/dbraw/zinc/53/44/76/560534476.db2.gz VJULNCGNZMMINL-AWEZNQCLSA-N -1 1 361.348 2.159 20 0 FEADMM CCN1CCN(CC(C)(C)NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000456884352 560535574 /nfs/dbraw/zinc/53/55/74/560535574.db2.gz RRFUCDIGJKKCEU-UHFFFAOYSA-N -1 1 357.857 2.331 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3sccc3CC2(C)C)o1 ZINC000457336149 560562861 /nfs/dbraw/zinc/56/28/61/560562861.db2.gz ZUGUOYNSJNELHQ-UHFFFAOYSA-N -1 1 354.453 2.226 20 0 FEADMM COCC1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000457422810 560566012 /nfs/dbraw/zinc/56/60/12/560566012.db2.gz RFWUIPVPXCGRPC-UHFFFAOYSA-N -1 1 356.444 2.212 20 0 FEADMM CC[C@@H]1CN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC[N@H+]1C[C@@H](C)O ZINC000459342252 560680840 /nfs/dbraw/zinc/68/08/40/560680840.db2.gz WZWKLJLCDVRYRM-CRAIPNDOSA-N -1 1 356.470 2.126 20 0 FEADMM O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000460277227 560740566 /nfs/dbraw/zinc/74/05/66/560740566.db2.gz QSIZLPPNBLENJB-UHFFFAOYSA-N -1 1 360.377 2.282 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000460552330 560746117 /nfs/dbraw/zinc/74/61/17/560746117.db2.gz ANHXVIZWXOBGKC-UHFFFAOYSA-N -1 1 366.834 2.315 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)c1 ZINC000460838232 560753021 /nfs/dbraw/zinc/75/30/21/560753021.db2.gz WFHDGCYAEPKQCM-UHFFFAOYSA-N -1 1 368.480 2.399 20 0 FEADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)cc2nn1C ZINC000461335147 560766972 /nfs/dbraw/zinc/76/69/72/560766972.db2.gz STQSONCWXMDHEQ-UHFFFAOYSA-N -1 1 372.450 2.384 20 0 FEADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2nn1C ZINC000461340794 560767146 /nfs/dbraw/zinc/76/71/46/560767146.db2.gz NYVPHIVMIAAQDL-UHFFFAOYSA-N -1 1 359.407 2.454 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000461461688 560772543 /nfs/dbraw/zinc/77/25/43/560772543.db2.gz ALBJFKRKEKLHMY-LLVKDONJSA-N -1 1 366.464 2.420 20 0 FEADMM O=C(NC[C@H](CO)C1CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000461625008 560777652 /nfs/dbraw/zinc/77/76/52/560777652.db2.gz STCVWWVZWPMEHO-SNVBAGLBSA-N -1 1 365.227 2.451 20 0 FEADMM CC(C)(NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nn[n-]n1 ZINC000461644525 560778829 /nfs/dbraw/zinc/77/88/29/560778829.db2.gz CQVFMDVHJKLIBQ-UHFFFAOYSA-N -1 1 356.430 2.384 20 0 FEADMM Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cnn1-c1ccccn1 ZINC000462065431 560794740 /nfs/dbraw/zinc/79/47/40/560794740.db2.gz CETLWYCZQMWKDY-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)s1 ZINC000462072106 560795036 /nfs/dbraw/zinc/79/50/36/560795036.db2.gz QJWGJNGLKDUHDV-RXMQYKEDSA-N -1 1 357.297 2.359 20 0 FEADMM Cc1noc2ncc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc12 ZINC000462106275 560797562 /nfs/dbraw/zinc/79/75/62/560797562.db2.gz WUANGCWXXDTEKI-UHFFFAOYSA-N -1 1 351.359 2.491 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnc3onc(C)c3c2)sc1C(=O)[O-] ZINC000462107022 560797680 /nfs/dbraw/zinc/79/76/80/560797680.db2.gz YMYDEWIQVOYXGM-UHFFFAOYSA-N -1 1 353.381 2.400 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2OC)o1 ZINC000462305741 560805049 /nfs/dbraw/zinc/80/50/49/560805049.db2.gz MEPZLIDAPOIPRG-WMLDXEAASA-N -1 1 365.407 2.083 20 0 FEADMM Cc1ccc(O)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1 ZINC000464838720 560852968 /nfs/dbraw/zinc/85/29/68/560852968.db2.gz OJDAWTFWKFUNDS-UHFFFAOYSA-N -1 1 355.343 2.104 20 0 FEADMM Cn1nccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000466481990 560887863 /nfs/dbraw/zinc/88/78/63/560887863.db2.gz PGFJBDRBPKDWMT-UHFFFAOYSA-N -1 1 352.160 2.262 20 0 FEADMM COc1cc(NC(=O)N(C)CC[C@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000466588600 560890696 /nfs/dbraw/zinc/89/06/96/560890696.db2.gz WEWHTIKLCMXOEZ-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM Cn1[n-]c(CN2CCC[C@@H]2c2cc(F)cc(Br)c2)nc1=O ZINC000467196041 560906067 /nfs/dbraw/zinc/90/60/67/560906067.db2.gz IRYSQUFWIFHJRE-GFCCVEGCSA-N -1 1 355.211 2.347 20 0 FEADMM Cc1ccc(SCCC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000467866789 560919076 /nfs/dbraw/zinc/91/90/76/560919076.db2.gz ZHIFRGUWDRVWKB-UHFFFAOYSA-N -1 1 363.512 2.260 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(-c3ncon3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468899425 560941653 /nfs/dbraw/zinc/94/16/53/560941653.db2.gz IZHMCXPLWZABCL-UHFFFAOYSA-N -1 1 364.321 2.047 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc(C)cc(C)c1 ZINC000469013389 560944807 /nfs/dbraw/zinc/94/48/07/560944807.db2.gz RXVZAHHPTZQNFJ-CVEARBPZSA-N -1 1 355.456 2.006 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1C(N)=O ZINC000469088295 560946909 /nfs/dbraw/zinc/94/69/09/560946909.db2.gz XHUSQLYAKAQIJV-UHFFFAOYSA-N -1 1 350.444 2.206 20 0 FEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2C1=O ZINC000471197313 561000201 /nfs/dbraw/zinc/00/02/01/561000201.db2.gz VXNWGTAMUIROBL-UHFFFAOYSA-N -1 1 358.419 2.146 20 0 FEADMM COCCC1(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCC1 ZINC000471227574 561000968 /nfs/dbraw/zinc/00/09/68/561000968.db2.gz RSMBFDZOGYWBLD-UHFFFAOYSA-N -1 1 356.444 2.212 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2csnc2C(=O)OC)[nH]n1 ZINC000471507329 561005989 /nfs/dbraw/zinc/00/59/89/561005989.db2.gz LFPWBGYGPNMBMS-MRVPVSSYSA-N -1 1 358.445 2.357 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccncc1 ZINC000471505608 561006061 /nfs/dbraw/zinc/00/60/61/561006061.db2.gz BQGNGJUCPSBPDJ-UHFFFAOYSA-N -1 1 350.425 2.447 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC1)c1cc(Cl)c(Br)cc1F ZINC000471571195 561007620 /nfs/dbraw/zinc/00/76/20/561007620.db2.gz RLFPDYPBVCVOGC-LURJTMIESA-N -1 1 358.616 2.309 20 0 FEADMM O=C1N=NCN1c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000471963399 561015202 /nfs/dbraw/zinc/01/52/02/561015202.db2.gz IGCRMYPSFCVLLK-UHFFFAOYSA-N -1 1 367.390 2.322 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)s[n-]1 ZINC000472262422 561022241 /nfs/dbraw/zinc/02/22/41/561022241.db2.gz QQLSELVMWWGKNA-UHFFFAOYSA-N -1 1 373.413 2.482 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)s1 ZINC000472427886 561026312 /nfs/dbraw/zinc/02/63/12/561026312.db2.gz DKWPYEDEKPHISU-UHFFFAOYSA-N -1 1 373.456 2.266 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCOC(C)C)c1cccc(C)c1C ZINC000472743738 561034128 /nfs/dbraw/zinc/03/41/28/561034128.db2.gz BGSXLHCSDPTSDH-INIZCTEOSA-N -1 1 357.472 2.252 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000473250371 561045464 /nfs/dbraw/zinc/04/54/64/561045464.db2.gz QWAFQJPRVFVWJD-UHFFFAOYSA-N -1 1 365.389 2.458 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000473287550 561046616 /nfs/dbraw/zinc/04/66/16/561046616.db2.gz MDJOHWLKGCBWFS-UHFFFAOYSA-N -1 1 358.181 2.475 20 0 FEADMM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473850744 561059214 /nfs/dbraw/zinc/05/92/14/561059214.db2.gz DCKNGBZKACOJQG-SSDOTTSWSA-N -1 1 353.206 2.091 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C)c1ccco1 ZINC000474181377 561067747 /nfs/dbraw/zinc/06/77/47/561067747.db2.gz YIYJRWHOBJFICS-AWEZNQCLSA-N -1 1 367.423 2.349 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000474538653 561076217 /nfs/dbraw/zinc/07/62/17/561076217.db2.gz ZCJKFEMEXNZYDR-UHFFFAOYSA-N -1 1 366.830 2.234 20 0 FEADMM CC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000474998010 561087239 /nfs/dbraw/zinc/08/72/39/561087239.db2.gz ARRHVGANUPEUQK-NXEZZACHSA-N -1 1 355.320 2.253 20 0 FEADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000476523322 561121653 /nfs/dbraw/zinc/12/16/53/561121653.db2.gz KOASUESIWPQIAR-MLGOLLRUSA-N -1 1 372.487 2.422 20 0 FEADMM O=C1CSc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2N1 ZINC000476528885 561121762 /nfs/dbraw/zinc/12/17/62/561121762.db2.gz AIGVHPQBAQLLPM-UHFFFAOYSA-N -1 1 364.404 2.260 20 0 FEADMM CCOc1ccc(C(C)(C)C(=O)NC2(c3nn[n-]n3)CC2)cc1OCC ZINC000477022111 561134389 /nfs/dbraw/zinc/13/43/89/561134389.db2.gz DAUHDVQYFUENHV-UHFFFAOYSA-N -1 1 359.430 2.080 20 0 FEADMM COc1ccc(CN2CC[C@H]2CN=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000528138938 562315555 /nfs/dbraw/zinc/31/55/55/562315555.db2.gz KVLLHCSUOIVFJZ-INIZCTEOSA-N -1 1 358.442 2.081 20 0 FEADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000529040945 562357760 /nfs/dbraw/zinc/35/77/60/562357760.db2.gz GQFSFUQJTKPIDQ-VSUSAZAXSA-N -1 1 367.812 2.257 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529944384 562392397 /nfs/dbraw/zinc/39/23/97/562392397.db2.gz ONSXJUPPYXAOMM-LBPRGKRZSA-N -1 1 361.373 2.444 20 0 FEADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000530005537 562394293 /nfs/dbraw/zinc/39/42/93/562394293.db2.gz HWCXUGAXAIKJRJ-LBPRGKRZSA-N -1 1 372.352 2.294 20 0 FEADMM O=S(=O)([N-]c1cccc(Oc2nccn3nnnc23)c1)c1ccccc1 ZINC000531379533 562443879 /nfs/dbraw/zinc/44/38/79/562443879.db2.gz RHVKJOKKNUTFNP-UHFFFAOYSA-N -1 1 368.378 2.112 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000531534255 562448950 /nfs/dbraw/zinc/44/89/50/562448950.db2.gz CERUZMSVXWAYBE-MRVPVSSYSA-N -1 1 351.432 2.384 20 0 FEADMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000531776088 562456324 /nfs/dbraw/zinc/45/63/24/562456324.db2.gz RUKXIDFGYVKICY-UHFFFAOYSA-N -1 1 373.434 2.124 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cn(-c3ccccc3)nn2)sc1C ZINC000532496559 562479521 /nfs/dbraw/zinc/47/95/21/562479521.db2.gz ZRUMKTMMULCXRK-LLVKDONJSA-N -1 1 363.468 2.380 20 0 FEADMM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000532771054 562488164 /nfs/dbraw/zinc/48/81/64/562488164.db2.gz NIWQVACIQLHCJZ-CYBMUJFWSA-N -1 1 361.341 2.124 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2)CC1 ZINC000532875718 562491490 /nfs/dbraw/zinc/49/14/90/562491490.db2.gz DQMVYSXCTDJABH-UHFFFAOYSA-N -1 1 367.449 2.313 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)cc1OC ZINC000534149226 562526496 /nfs/dbraw/zinc/52/64/96/562526496.db2.gz LQKBEQGQAKJBKI-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2csc([C@H]3CCCO3)n2)s1 ZINC000534394882 562533259 /nfs/dbraw/zinc/53/32/59/562533259.db2.gz KNERIZZQVZCKAL-SECBINFHSA-N -1 1 368.440 2.204 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2NC(C)=O)co1 ZINC000534425424 562533880 /nfs/dbraw/zinc/53/38/80/562533880.db2.gz JOEBJWZTDMNKLQ-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000535612627 562562562 /nfs/dbraw/zinc/56/25/62/562562562.db2.gz JRXMCPQQVCGYNQ-UHFFFAOYSA-N -1 1 373.471 2.355 20 0 FEADMM CC(C)[C@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccc(F)cc1 ZINC000535910720 562570641 /nfs/dbraw/zinc/57/06/41/562570641.db2.gz PWQJSHVEQKNPMG-AWEZNQCLSA-N -1 1 363.462 2.348 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000536497125 562577034 /nfs/dbraw/zinc/57/70/34/562577034.db2.gz JQLLMYAWTPCUQZ-UHFFFAOYSA-N -1 1 357.334 2.045 20 0 FEADMM Cc1[nH]c(=O)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1-c1ccccc1 ZINC000537124115 562585982 /nfs/dbraw/zinc/58/59/82/562585982.db2.gz AVGQENHVJHFNTQ-AWEZNQCLSA-N -1 1 364.409 2.296 20 0 FEADMM CSc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])ccc1F ZINC000540807529 562593536 /nfs/dbraw/zinc/59/35/36/562593536.db2.gz YWPVWQLIPNWQBT-UHFFFAOYSA-N -1 1 356.400 2.153 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cn1 ZINC000541802032 562620006 /nfs/dbraw/zinc/62/00/06/562620006.db2.gz URXFUGFETCSTAC-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(=O)n3[n-]cnc3n2)o1 ZINC000541836876 562621113 /nfs/dbraw/zinc/62/11/13/562621113.db2.gz XMZXVSRCBZVFGL-SMDDNHRTSA-N -1 1 355.398 2.186 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C[S@@](C)=O ZINC000545830173 562630862 /nfs/dbraw/zinc/63/08/62/562630862.db2.gz UKYKNTHMFIXSDE-JOCHJYFZSA-N -1 1 373.477 2.434 20 0 FEADMM C[C@@]1(CO)CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000546116455 562633849 /nfs/dbraw/zinc/63/38/49/562633849.db2.gz VPMFNQZGXRVDQU-IBGZPJMESA-N -1 1 374.462 2.474 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000546170295 562634659 /nfs/dbraw/zinc/63/46/59/562634659.db2.gz MEZZVJVIZMHJEU-UHFFFAOYSA-N -1 1 369.409 2.471 20 0 FEADMM CN(c1cccc2cccnc21)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000550110964 562642721 /nfs/dbraw/zinc/64/27/21/562642721.db2.gz VPRZPEIHFNQDEH-UHFFFAOYSA-N -1 1 358.375 2.464 20 0 FEADMM COC[C@]1(C(=O)OC(C)(C)C)CCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000602964592 568023971 /nfs/dbraw/zinc/02/39/71/568023971.db2.gz RQQGOEFGBPJTPX-IBGZPJMESA-N -1 1 363.458 2.240 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccsc2Br)n[n-]1 ZINC000603158509 568068978 /nfs/dbraw/zinc/06/89/78/568068978.db2.gz ZXGAUOFKWRBFLG-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccsc2Br)[n-]1 ZINC000603158509 568068979 /nfs/dbraw/zinc/06/89/79/568068979.db2.gz ZXGAUOFKWRBFLG-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccsc2Br)n1 ZINC000603158509 568068980 /nfs/dbraw/zinc/06/89/80/568068980.db2.gz ZXGAUOFKWRBFLG-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2c(F)ccc(F)c2Cl)n[n-]1 ZINC000603152529 568065130 /nfs/dbraw/zinc/06/51/30/568065130.db2.gz DIFTWWYPUYUYMK-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2c(F)ccc(F)c2Cl)[n-]1 ZINC000603152529 568065131 /nfs/dbraw/zinc/06/51/31/568065131.db2.gz DIFTWWYPUYUYMK-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2c(F)ccc(F)c2Cl)n1 ZINC000603152529 568065132 /nfs/dbraw/zinc/06/51/32/568065132.db2.gz DIFTWWYPUYUYMK-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1CCSCC1 ZINC000603475306 568103999 /nfs/dbraw/zinc/10/39/99/568103999.db2.gz AYHQDBVISNHBIW-UHFFFAOYSA-N -1 1 358.467 2.355 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000603546261 568117912 /nfs/dbraw/zinc/11/79/12/568117912.db2.gz JTFVXSXYNDSOFB-MEBBXXQBSA-N -1 1 359.336 2.151 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000617947561 568137496 /nfs/dbraw/zinc/13/74/96/568137496.db2.gz DSAWKBKVKDNQQA-LBPRGKRZSA-N -1 1 358.442 2.154 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H](CO)C1 ZINC000128571095 568392440 /nfs/dbraw/zinc/39/24/40/568392440.db2.gz HWPDWDZJUCSDHI-HNNXBMFYSA-N -1 1 374.462 2.332 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2nc(C)no2)nc1 ZINC000643269781 568451766 /nfs/dbraw/zinc/45/17/66/568451766.db2.gz KKYCVOQCWHBQDB-CYBMUJFWSA-N -1 1 354.432 2.243 20 0 FEADMM C[C@H](CN1CCN(c2ccccn2)CC1)N=c1[n-]c(-c2ccccc2)no1 ZINC000605148780 568586363 /nfs/dbraw/zinc/58/63/63/568586363.db2.gz ACNPSHJVVJDKSN-MRXNPFEDSA-N -1 1 364.453 2.176 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000737378472 598843673 /nfs/dbraw/zinc/84/36/73/598843673.db2.gz SKXQWJHUKPGDTE-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000737378472 598843675 /nfs/dbraw/zinc/84/36/75/598843675.db2.gz SKXQWJHUKPGDTE-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cnc[nH]1 ZINC000738111672 598847691 /nfs/dbraw/zinc/84/76/91/598847691.db2.gz IYBUXGNXZVPFDI-UHFFFAOYSA-N -1 1 351.395 2.248 20 0 FEADMM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738166059 598946781 /nfs/dbraw/zinc/94/67/81/598946781.db2.gz QYQMEZMLLUNRRR-UHFFFAOYSA-N -1 1 354.345 2.442 20 0 FEADMM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738166059 598946782 /nfs/dbraw/zinc/94/67/82/598946782.db2.gz QYQMEZMLLUNRRR-UHFFFAOYSA-N -1 1 354.345 2.442 20 0 FEADMM CCCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000736489962 598981600 /nfs/dbraw/zinc/98/16/00/598981600.db2.gz GLEVPAZOAKNFAQ-UHFFFAOYSA-N -1 1 369.381 2.416 20 0 FEADMM CCCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000736489962 598981601 /nfs/dbraw/zinc/98/16/01/598981601.db2.gz GLEVPAZOAKNFAQ-UHFFFAOYSA-N -1 1 369.381 2.416 20 0 FEADMM CCOCCOCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736627316 598994154 /nfs/dbraw/zinc/99/41/54/598994154.db2.gz SRUXEWDAYRAEIV-UHFFFAOYSA-N -1 1 368.397 2.067 20 0 FEADMM CCOCCOCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736627316 598994157 /nfs/dbraw/zinc/99/41/57/598994157.db2.gz SRUXEWDAYRAEIV-UHFFFAOYSA-N -1 1 368.397 2.067 20 0 FEADMM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735622526 598995412 /nfs/dbraw/zinc/99/54/12/598995412.db2.gz AQXRKCRIXXMOAV-UHFFFAOYSA-N -1 1 365.397 2.042 20 0 FEADMM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735622526 598995414 /nfs/dbraw/zinc/99/54/14/598995414.db2.gz AQXRKCRIXXMOAV-UHFFFAOYSA-N -1 1 365.397 2.042 20 0 FEADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737613896 599021142 /nfs/dbraw/zinc/02/11/42/599021142.db2.gz QMFRWLKRAUGWFW-INIZCTEOSA-N -1 1 351.414 2.358 20 0 FEADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737613896 599021143 /nfs/dbraw/zinc/02/11/43/599021143.db2.gz QMFRWLKRAUGWFW-INIZCTEOSA-N -1 1 351.414 2.358 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@H]2CCCO[C@@H]21 ZINC000820583750 599041328 /nfs/dbraw/zinc/04/13/28/599041328.db2.gz FDIMPPKEGUMYMA-JLZZUVOBSA-N -1 1 350.426 2.452 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@H]2CCCO[C@@H]21 ZINC000820583750 599041330 /nfs/dbraw/zinc/04/13/30/599041330.db2.gz FDIMPPKEGUMYMA-JLZZUVOBSA-N -1 1 350.426 2.452 20 0 FEADMM CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735594923 599177218 /nfs/dbraw/zinc/17/72/18/599177218.db2.gz CJSFGGMIALAFDM-LBPRGKRZSA-N -1 1 364.475 2.099 20 0 FEADMM CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735594923 599177219 /nfs/dbraw/zinc/17/72/19/599177219.db2.gz CJSFGGMIALAFDM-LBPRGKRZSA-N -1 1 364.475 2.099 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)CO1 ZINC000737423530 599223961 /nfs/dbraw/zinc/22/39/61/599223961.db2.gz QPWDTOPLZQIMGF-CXAGYDPISA-N -1 1 364.409 2.172 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)CO1 ZINC000737423530 599223964 /nfs/dbraw/zinc/22/39/64/599223964.db2.gz QPWDTOPLZQIMGF-CXAGYDPISA-N -1 1 364.409 2.172 20 0 FEADMM O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000740482100 596926338 /nfs/dbraw/zinc/92/63/38/596926338.db2.gz AEMXVVYBARITDM-KRWDZBQOSA-N -1 1 352.390 2.268 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676233453 597069604 /nfs/dbraw/zinc/06/96/04/597069604.db2.gz PRCMJSGKGXPZTJ-LSDHHAIUSA-N -1 1 373.453 2.327 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000819188234 597214954 /nfs/dbraw/zinc/21/49/54/597214954.db2.gz HQRUNABGIFHLKF-UHFFFAOYSA-N -1 1 368.437 2.244 20 0 FEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000261852127 597495221 /nfs/dbraw/zinc/49/52/21/597495221.db2.gz OUZXTVYIXQPNIJ-SNVBAGLBSA-N -1 1 364.199 2.386 20 0 FEADMM Cc1nc(NC2CC2)sc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822452977 607324317 /nfs/dbraw/zinc/32/43/17/607324317.db2.gz CYQLXTNRSAHNLN-UHFFFAOYSA-N -1 1 357.399 2.164 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(C)cc(F)c2)cc1-c1nn[n-]n1 ZINC000821979313 607325419 /nfs/dbraw/zinc/32/54/19/607325419.db2.gz QSQDDVZYHKLSLK-UHFFFAOYSA-N -1 1 360.374 2.389 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C3)cc1 ZINC000738421758 598352479 /nfs/dbraw/zinc/35/24/79/598352479.db2.gz FSKIGBZVZMMATB-CQSZACIVSA-N -1 1 371.408 2.083 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C3)cc1 ZINC000738421758 598352481 /nfs/dbraw/zinc/35/24/81/598352481.db2.gz FSKIGBZVZMMATB-CQSZACIVSA-N -1 1 371.408 2.083 20 0 FEADMM O=C(Cc1coc2cc3c(cc12)CCC3)N=c1cc[nH]cc1-c1nnn[n-]1 ZINC000737978013 598381945 /nfs/dbraw/zinc/38/19/45/598381945.db2.gz MTECYVHGNQLVRH-UHFFFAOYSA-N -1 1 360.377 2.100 20 0 FEADMM O=C(Cc1coc2cc3c(cc12)CCC3)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737978013 598381946 /nfs/dbraw/zinc/38/19/46/598381946.db2.gz MTECYVHGNQLVRH-UHFFFAOYSA-N -1 1 360.377 2.100 20 0 FEADMM Clc1cc(CNc2cnc(-c3nnn[n-]3)cn2)cc2c1OCCCO2 ZINC000737565700 598385592 /nfs/dbraw/zinc/38/55/92/598385592.db2.gz OSEQVEWHZNEZFN-UHFFFAOYSA-N -1 1 359.777 2.084 20 0 FEADMM Clc1cc(CNc2cnc(-c3nn[n-]n3)cn2)cc2c1OCCCO2 ZINC000737565700 598385593 /nfs/dbraw/zinc/38/55/93/598385593.db2.gz OSEQVEWHZNEZFN-UHFFFAOYSA-N -1 1 359.777 2.084 20 0 FEADMM CCOCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736617194 598455426 /nfs/dbraw/zinc/45/54/26/598455426.db2.gz BBDCJDMUFMBYEZ-UHFFFAOYSA-N -1 1 358.402 2.057 20 0 FEADMM CCOCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736617194 598455428 /nfs/dbraw/zinc/45/54/28/598455428.db2.gz BBDCJDMUFMBYEZ-UHFFFAOYSA-N -1 1 358.402 2.057 20 0 FEADMM CCOC(=O)N[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)CC(C)C ZINC000736601393 598572734 /nfs/dbraw/zinc/57/27/34/598572734.db2.gz WQIDQKNTRAYLGU-SNVBAGLBSA-N -1 1 367.841 2.488 20 0 FEADMM CCOC(=O)N[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)CC(C)C ZINC000736601393 598572735 /nfs/dbraw/zinc/57/27/35/598572735.db2.gz WQIDQKNTRAYLGU-SNVBAGLBSA-N -1 1 367.841 2.488 20 0 FEADMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736831564 598590901 /nfs/dbraw/zinc/59/09/01/598590901.db2.gz PHVOVOPRMSDPOQ-UHFFFAOYSA-N -1 1 368.788 2.200 20 0 FEADMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736831564 598590903 /nfs/dbraw/zinc/59/09/03/598590903.db2.gz PHVOVOPRMSDPOQ-UHFFFAOYSA-N -1 1 368.788 2.200 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C2CCC2)cc1-c1nn[n-]n1 ZINC000737187420 598606121 /nfs/dbraw/zinc/60/61/21/598606121.db2.gz ROMSNTZVLNUIGZ-GFCCVEGCSA-N -1 1 360.443 2.094 20 0 FEADMM CCCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n[nH]1 ZINC000736497541 598691196 /nfs/dbraw/zinc/69/11/96/598691196.db2.gz SHEBWKXPTPRNOH-UHFFFAOYSA-N -1 1 366.385 2.487 20 0 FEADMM CCCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n[nH]1 ZINC000736497541 598691198 /nfs/dbraw/zinc/69/11/98/598691198.db2.gz SHEBWKXPTPRNOH-UHFFFAOYSA-N -1 1 366.385 2.487 20 0 FEADMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735794923 598692628 /nfs/dbraw/zinc/69/26/28/598692628.db2.gz IJJWCHPFYSYZJG-NSHDSACASA-N -1 1 353.423 2.205 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000737548960 598700568 /nfs/dbraw/zinc/70/05/68/598700568.db2.gz RXSHGTBHXBKTFA-UHFFFAOYSA-N -1 1 364.369 2.412 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000737548960 598700570 /nfs/dbraw/zinc/70/05/70/598700570.db2.gz RXSHGTBHXBKTFA-UHFFFAOYSA-N -1 1 364.369 2.412 20 0 FEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc2c(c1)COC2 ZINC000737982813 598720352 /nfs/dbraw/zinc/72/03/52/598720352.db2.gz RHLPJOKNVDHLBO-UHFFFAOYSA-N -1 1 373.372 2.095 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1COC2=O ZINC000808128372 674443327 /nfs/dbraw/zinc/44/33/27/674443327.db2.gz RKJQIQDHWGKFIN-UHFFFAOYSA-N -1 1 365.338 2.304 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccco2)C1 ZINC000820726657 599327255 /nfs/dbraw/zinc/32/72/55/599327255.db2.gz AATQUTUHSSVNFF-FZMZJTMJSA-N -1 1 374.426 2.017 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccco2)C1 ZINC000820726657 599327256 /nfs/dbraw/zinc/32/72/56/599327256.db2.gz AATQUTUHSSVNFF-FZMZJTMJSA-N -1 1 374.426 2.017 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820595963 599344983 /nfs/dbraw/zinc/34/49/83/599344983.db2.gz LPAUHMRCKHANAH-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC2(CCCC2)C1 ZINC000823601169 599375831 /nfs/dbraw/zinc/37/58/31/599375831.db2.gz USFWNRAJHMUPJT-UHFFFAOYSA-N -1 1 367.862 2.475 20 0 FEADMM COc1cccc([C@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn2C)c1 ZINC000737125286 599399878 /nfs/dbraw/zinc/39/98/78/599399878.db2.gz AGBGREIKAGEPKN-INIZCTEOSA-N -1 1 362.397 2.205 20 0 FEADMM COc1cccc([C@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn2C)c1 ZINC000737125286 599399881 /nfs/dbraw/zinc/39/98/81/599399881.db2.gz AGBGREIKAGEPKN-INIZCTEOSA-N -1 1 362.397 2.205 20 0 FEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1F ZINC000822694237 599402558 /nfs/dbraw/zinc/40/25/58/599402558.db2.gz ZKYUHMHPBQMYHE-OAHLLOKOSA-N -1 1 353.361 2.212 20 0 FEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1F ZINC000822694237 599402561 /nfs/dbraw/zinc/40/25/61/599402561.db2.gz ZKYUHMHPBQMYHE-OAHLLOKOSA-N -1 1 353.361 2.212 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821971091 599415417 /nfs/dbraw/zinc/41/54/17/599415417.db2.gz XJICWABIOUPHIL-VIFPVBQESA-N -1 1 362.459 2.388 20 0 FEADMM Cc1cc([C@](C)(O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c(C)o1 ZINC000822191486 599577359 /nfs/dbraw/zinc/57/73/59/599577359.db2.gz JSQDVBLHVLZCBI-GOSISDBHSA-N -1 1 365.397 2.339 20 0 FEADMM Cc1cc([C@](C)(O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c(C)o1 ZINC000822191486 599577362 /nfs/dbraw/zinc/57/73/62/599577362.db2.gz JSQDVBLHVLZCBI-GOSISDBHSA-N -1 1 365.397 2.339 20 0 FEADMM O=S(=O)(C[C@H]1CCCC(F)(F)C1)[N-]Cc1nc(C(F)(F)F)no1 ZINC000632198725 676981193 /nfs/dbraw/zinc/98/11/93/676981193.db2.gz MBMKDTBWAYRLLJ-ZETCQYMHSA-N -1 1 363.308 2.333 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736160335 599738178 /nfs/dbraw/zinc/73/81/78/599738178.db2.gz WYJHLMCMJIZZCM-UHFFFAOYSA-N -1 1 358.759 2.390 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)s1 ZINC000740172568 599776105 /nfs/dbraw/zinc/77/61/05/599776105.db2.gz FJLWUJYHNYWDFE-LBPRGKRZSA-N -1 1 358.485 2.085 20 0 FEADMM O=C([O-])[C@H](NCc1cn2cccnc2n1)c1ccc(Br)cc1 ZINC000739504664 599789812 /nfs/dbraw/zinc/78/98/12/599789812.db2.gz LQLZMTLFXOANNM-CYBMUJFWSA-N -1 1 361.199 2.407 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736653160 599799316 /nfs/dbraw/zinc/79/93/16/599799316.db2.gz TXRSGWDHOQSCNK-JTQLQIEISA-N -1 1 352.350 2.018 20 0 FEADMM O=C([O-])c1cccc(COC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000739248479 599818296 /nfs/dbraw/zinc/81/82/96/599818296.db2.gz FKUFTGQHAGPWJD-UHFFFAOYSA-N -1 1 367.361 2.124 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736442100 599828190 /nfs/dbraw/zinc/82/81/90/599828190.db2.gz DHEYBXJTOVJJJD-KRWDZBQOSA-N -1 1 363.458 2.182 20 0 FEADMM CCc1[nH]c(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c(C)c1C(=O)[O-] ZINC000737244125 599893446 /nfs/dbraw/zinc/89/34/46/599893446.db2.gz LNRRRTIKQNGAHZ-UHFFFAOYSA-N -1 1 371.372 2.438 20 0 FEADMM CCc1[nH]c(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c(C)c1C(=O)[O-] ZINC000737244125 599893449 /nfs/dbraw/zinc/89/34/49/599893449.db2.gz LNRRRTIKQNGAHZ-UHFFFAOYSA-N -1 1 371.372 2.438 20 0 FEADMM Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)c(C(=O)[O-])c1 ZINC000738626992 600074342 /nfs/dbraw/zinc/07/43/42/600074342.db2.gz AJUJTADHJBJJHZ-UHFFFAOYSA-N -1 1 369.402 2.481 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)n2)cc1 ZINC000737911396 600077438 /nfs/dbraw/zinc/07/74/38/600077438.db2.gz HDFVJICBLIAQIQ-UHFFFAOYSA-N -1 1 369.381 2.053 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)n[nH]2)cc1 ZINC000737911396 600077441 /nfs/dbraw/zinc/07/74/41/600077441.db2.gz HDFVJICBLIAQIQ-UHFFFAOYSA-N -1 1 369.381 2.053 20 0 FEADMM O=C([O-])Nc1cc(NS(=O)(=O)c2cccc3c2OCCO3)ccc1F ZINC000740013364 600101717 /nfs/dbraw/zinc/10/17/17/600101717.db2.gz AGRWQGHGFRQIJQ-UHFFFAOYSA-N -1 1 368.342 2.488 20 0 FEADMM O=C([O-])C1(NCC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000739309771 600151777 /nfs/dbraw/zinc/15/17/77/600151777.db2.gz RPPZYKARJRJASA-MRXNPFEDSA-N -1 1 359.470 2.006 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736218290 600287990 /nfs/dbraw/zinc/28/79/90/600287990.db2.gz MOEFLTUEENYKFA-HIFRSBDPSA-N -1 1 374.437 2.362 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000737688179 600290995 /nfs/dbraw/zinc/29/09/95/600290995.db2.gz JPCSMAPKNHCWNK-UKRRQHHQSA-N -1 1 374.437 2.295 20 0 FEADMM O=C([O-])CNC(=O)CCN(Cc1cc(Br)ccc1F)C1CC1 ZINC000739803773 600294257 /nfs/dbraw/zinc/29/42/57/600294257.db2.gz MGKIUGMJKQLOGH-UHFFFAOYSA-N -1 1 373.222 2.144 20 0 FEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738737814 600296359 /nfs/dbraw/zinc/29/63/59/600296359.db2.gz MDRGKPYRVHYQER-RDJZCZTQSA-N -1 1 360.454 2.065 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCN1CCOC ZINC000736936521 600335318 /nfs/dbraw/zinc/33/53/18/600335318.db2.gz ALRVVSHBZGVZFA-CYBMUJFWSA-N -1 1 353.394 2.098 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390671221 600345389 /nfs/dbraw/zinc/34/53/89/600345389.db2.gz VLOWFJLYNAUKLG-AWEZNQCLSA-N -1 1 362.451 2.184 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)N(C)Cc1ccccc1 ZINC000390650964 600345421 /nfs/dbraw/zinc/34/54/21/600345421.db2.gz PDTFVAFUTLNLCY-GFCCVEGCSA-N -1 1 368.480 2.245 20 0 FEADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737115682 600347100 /nfs/dbraw/zinc/34/71/00/600347100.db2.gz PDVBRIBVCQBQAH-LBPRGKRZSA-N -1 1 360.863 2.191 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)ccc1C ZINC000736161909 600360601 /nfs/dbraw/zinc/36/06/01/600360601.db2.gz WKNQVBPELVRFTN-UHFFFAOYSA-N -1 1 369.424 2.217 20 0 FEADMM CCN(C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000571172139 600408952 /nfs/dbraw/zinc/40/89/52/600408952.db2.gz NBFMAOYSCDPCCH-HNNXBMFYSA-N -1 1 374.890 2.212 20 0 FEADMM COCCN(CC(=O)[O-])C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000578137382 600446742 /nfs/dbraw/zinc/44/67/42/600446742.db2.gz FQNLCKUDRPNQQS-OAHLLOKOSA-N -1 1 356.422 2.188 20 0 FEADMM CCN(CCC(F)(F)F)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821207318 607446030 /nfs/dbraw/zinc/44/60/30/607446030.db2.gz LCVNDDHJWIYNCZ-UHFFFAOYSA-N -1 1 360.340 2.289 20 0 FEADMM O=C(CN1CCN(C2CCC2)CC1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000738464276 600508327 /nfs/dbraw/zinc/50/83/27/600508327.db2.gz IVTRNHMXNUYWGR-UHFFFAOYSA-N -1 1 363.483 2.044 20 0 FEADMM Cc1ccccc1CN1CCCN(C(=O)CSC[C@@H](C)C(=O)[O-])CC1 ZINC000738769414 600598806 /nfs/dbraw/zinc/59/88/06/600598806.db2.gz BKVOUSJBSMDGKU-MRXNPFEDSA-N -1 1 364.511 2.483 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000736205438 600643431 /nfs/dbraw/zinc/64/34/31/600643431.db2.gz OTBMDKFPPGDVQC-YJBOKZPZSA-N -1 1 360.454 2.242 20 0 FEADMM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000739568302 600656513 /nfs/dbraw/zinc/65/65/13/600656513.db2.gz LBEXFIHCAQURAO-ROUUACIJSA-N -1 1 373.497 2.206 20 0 FEADMM CCCCOC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000326667120 600670642 /nfs/dbraw/zinc/67/06/42/600670642.db2.gz HPJMSNNGSMJSTO-UHFFFAOYSA-N -1 1 366.395 2.471 20 0 FEADMM O=C([O-])c1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000544632254 600670724 /nfs/dbraw/zinc/67/07/24/600670724.db2.gz LEUGQIIZEASVEB-UHFFFAOYSA-N -1 1 368.754 2.274 20 0 FEADMM O[C@H](C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000823672380 607468947 /nfs/dbraw/zinc/46/89/47/607468947.db2.gz DKVWHIUMDRSRPC-GOEBONIOSA-N -1 1 354.389 2.493 20 0 FEADMM O[C@H](C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000823672380 607468948 /nfs/dbraw/zinc/46/89/48/607468948.db2.gz DKVWHIUMDRSRPC-GOEBONIOSA-N -1 1 354.389 2.493 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@@H](Sc2nc(C3CC3)n[nH]2)C1=O ZINC000833339214 600806372 /nfs/dbraw/zinc/80/63/72/600806372.db2.gz UTZPWQYGCBUWQS-SECBINFHSA-N -1 1 350.425 2.339 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@@H](Sc2n[nH]c(C3CC3)n2)C1=O ZINC000833339214 600806373 /nfs/dbraw/zinc/80/63/73/600806373.db2.gz UTZPWQYGCBUWQS-SECBINFHSA-N -1 1 350.425 2.339 20 0 FEADMM O=C([O-])CNC(=O)c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1 ZINC000833252608 600851232 /nfs/dbraw/zinc/85/12/32/600851232.db2.gz ZYFRJXFHRMXCIQ-UHFFFAOYSA-N -1 1 364.361 2.143 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1)C(=O)[O-] ZINC000826786108 600852197 /nfs/dbraw/zinc/85/21/97/600852197.db2.gz KQPKGVHKTYHRFT-BZSNNMDCSA-N -1 1 362.470 2.190 20 0 FEADMM CC(C)C[C@@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)C(=O)[O-] ZINC000736404503 600980738 /nfs/dbraw/zinc/98/07/38/600980738.db2.gz FMNYZIFAWNMAPH-HNNXBMFYSA-N -1 1 362.474 2.307 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNc3cncc(C(=O)[O-])n3)cc2)C[C@@H](C)O1 ZINC000649384861 600999972 /nfs/dbraw/zinc/99/99/72/600999972.db2.gz XFOZCGAHFSLWRA-ZIAGYGMSSA-N -1 1 356.426 2.396 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832955502 601038703 /nfs/dbraw/zinc/03/87/03/601038703.db2.gz FFCNIHHNKMYINI-QGZVFWFLSA-N -1 1 362.451 2.031 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000630226892 601093972 /nfs/dbraw/zinc/09/39/72/601093972.db2.gz XGQADASHEXXLBP-LBPRGKRZSA-N -1 1 358.360 2.255 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)CSc2ccccc2)CC1 ZINC000630223454 601096582 /nfs/dbraw/zinc/09/65/82/601096582.db2.gz JJTICPWFPCJKGJ-HUUCEWRRSA-N -1 1 350.484 2.422 20 0 FEADMM Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630225005 601101892 /nfs/dbraw/zinc/10/18/92/601101892.db2.gz RNOCEORHKBOJOH-AWEZNQCLSA-N -1 1 371.437 2.200 20 0 FEADMM CCOc1cc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1OC ZINC000830049622 601129460 /nfs/dbraw/zinc/12/94/60/601129460.db2.gz KFHVVHFNQPFAOP-ZDUSSCGKSA-N -1 1 365.430 2.107 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000830581881 601149975 /nfs/dbraw/zinc/14/99/75/601149975.db2.gz SRLBTNFKTGPWEN-GJZGRUSLSA-N -1 1 368.865 2.384 20 0 FEADMM CN(CCNC(=O)NC1CCC(C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000820597416 601194805 /nfs/dbraw/zinc/19/48/05/601194805.db2.gz QSCJRWPEQWPLLG-UHFFFAOYSA-N -1 1 351.422 2.200 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000829780169 601272738 /nfs/dbraw/zinc/27/27/38/601272738.db2.gz DGGFRQLLXWBYCI-UHFFFAOYSA-N -1 1 354.410 2.174 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 ZINC000827374422 601294054 /nfs/dbraw/zinc/29/40/54/601294054.db2.gz HYWJBFUZGSIQIH-AWEZNQCLSA-N -1 1 369.425 2.156 20 0 FEADMM Cc1nc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc2n1C ZINC000833004220 601340250 /nfs/dbraw/zinc/34/02/50/601340250.db2.gz MHZNKLBICZRBRZ-UHFFFAOYSA-N -1 1 351.409 2.442 20 0 FEADMM C[C@H]1CCc2c(sc(NC(=O)CSc3c[nH]nn3)c2C(=O)[O-])C1 ZINC000828310065 601350178 /nfs/dbraw/zinc/35/01/78/601350178.db2.gz IRMGXMYNLJYANE-ZETCQYMHSA-N -1 1 352.441 2.420 20 0 FEADMM CCC1CCC(NCC(=O)NCCOc2cccc(F)c2)(C(=O)[O-])CC1 ZINC000829101002 601493945 /nfs/dbraw/zinc/49/39/45/601493945.db2.gz GTAJAKRDARPTHL-UHFFFAOYSA-N -1 1 366.433 2.334 20 0 FEADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C[C@H]1C(=O)[O-] ZINC000828349496 601648257 /nfs/dbraw/zinc/64/82/57/601648257.db2.gz PHTQAZAEJCNQBT-SUMWQHHRSA-N -1 1 363.433 2.152 20 0 FEADMM O=C(CN1CCC[C@H]2COCC[C@@H]21)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833106469 601662534 /nfs/dbraw/zinc/66/25/34/601662534.db2.gz SYYISMQEQPHJDT-AAEUAGOBSA-N -1 1 364.467 2.374 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832703796 601715000 /nfs/dbraw/zinc/71/50/00/601715000.db2.gz BRRLGNJYEKQUQX-UHFFFAOYSA-N -1 1 367.354 2.252 20 0 FEADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1C(=O)[O-] ZINC000571931288 601804195 /nfs/dbraw/zinc/80/41/95/601804195.db2.gz SOARFNHKCQGHMN-SNVBAGLBSA-N -1 1 354.453 2.287 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)N1CCC(C)CC1 ZINC000184966624 601836495 /nfs/dbraw/zinc/83/64/95/601836495.db2.gz PYYJHXSITOFCDB-GFCCVEGCSA-N -1 1 374.890 2.437 20 0 FEADMM C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CCC(=O)[O-])CC1 ZINC000826021082 601844308 /nfs/dbraw/zinc/84/43/08/601844308.db2.gz MJRQYYLSSMCRJN-NSHDSACASA-N -1 1 360.414 2.172 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000829781378 601861106 /nfs/dbraw/zinc/86/11/06/601861106.db2.gz VHLYILGLWDXXNA-LJQANCHMSA-N -1 1 360.458 2.157 20 0 FEADMM CC(C)C[C@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000826840988 601881123 /nfs/dbraw/zinc/88/11/23/601881123.db2.gz SGXYSSJEVYWTIN-CQSZACIVSA-N -1 1 359.426 2.479 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]1C(F)F ZINC000633227080 677038397 /nfs/dbraw/zinc/03/83/97/677038397.db2.gz NWEZEXGQBDEFFK-VIFPVBQESA-N -1 1 373.208 2.138 20 0 FEADMM CCC[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000809393716 674492896 /nfs/dbraw/zinc/49/28/96/674492896.db2.gz VDGGNVJPMYDIAR-VIFPVBQESA-N -1 1 367.826 2.095 20 0 FEADMM O=C([O-])N1CCC([N@@H+](Cc2c([O-])nnn2-c2ccccc2)C2CC2)CC1 ZINC000740500721 601912683 /nfs/dbraw/zinc/91/26/83/601912683.db2.gz RWRSOHJKJNZPLU-UHFFFAOYSA-N -1 1 357.414 2.080 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCOC)c(F)cc1Cl ZINC000809393066 674492998 /nfs/dbraw/zinc/49/29/98/674492998.db2.gz QFNZVIIKXIHIHW-VIFPVBQESA-N -1 1 367.826 2.359 20 0 FEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000833263849 601976080 /nfs/dbraw/zinc/97/60/80/601976080.db2.gz XCUFCEJOBUTTEE-UHFFFAOYSA-N -1 1 369.389 2.254 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824762595 607536719 /nfs/dbraw/zinc/53/67/19/607536719.db2.gz HQGSUKORNURRLZ-SECBINFHSA-N -1 1 365.365 2.216 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824762595 607536721 /nfs/dbraw/zinc/53/67/21/607536721.db2.gz HQGSUKORNURRLZ-SECBINFHSA-N -1 1 365.365 2.216 20 0 FEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398179097 601989225 /nfs/dbraw/zinc/98/92/25/601989225.db2.gz HCBHFKPXQFJCMD-PBHICJAKSA-N -1 1 374.462 2.326 20 0 FEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1OC ZINC000832226573 602018603 /nfs/dbraw/zinc/01/86/03/602018603.db2.gz POGPVDXDSREBDA-DOMZBBRYSA-N -1 1 373.409 2.179 20 0 FEADMM CCn1c(=O)c2ccccc2nc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825796402 607540704 /nfs/dbraw/zinc/54/07/04/607540704.db2.gz FECPVNWTZJYPCW-UHFFFAOYSA-N -1 1 365.422 2.284 20 0 FEADMM CCn1c(=O)c2ccccc2nc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825796402 607540706 /nfs/dbraw/zinc/54/07/06/607540706.db2.gz FECPVNWTZJYPCW-UHFFFAOYSA-N -1 1 365.422 2.284 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000739582790 602053992 /nfs/dbraw/zinc/05/39/92/602053992.db2.gz NGQFJAMKLWLZBY-HUUCEWRRSA-N -1 1 364.446 2.200 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000558431023 674495090 /nfs/dbraw/zinc/49/50/90/674495090.db2.gz DGCZPYILBDXPNO-GJZGRUSLSA-N -1 1 365.455 2.542 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NCCCN(C)C(=O)[O-])N2CCCC2)o1 ZINC000740116766 602186027 /nfs/dbraw/zinc/18/60/27/602186027.db2.gz GCJDBUYZZOLXLL-AWEZNQCLSA-N -1 1 352.435 2.024 20 0 FEADMM C[C@@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C[C@@H]1n1ccnc1 ZINC000828284057 602255453 /nfs/dbraw/zinc/25/54/53/602255453.db2.gz BCXAECLTAMCFSZ-SNPRPXQTSA-N -1 1 374.466 2.331 20 0 FEADMM O=C([O-])N1CCC(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)CC1 ZINC000740476226 602263826 /nfs/dbraw/zinc/26/38/26/602263826.db2.gz FFKKKIPPZWLAGC-UHFFFAOYSA-N -1 1 366.381 2.348 20 0 FEADMM CC(C)N(CCCNS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000738849003 602389045 /nfs/dbraw/zinc/38/90/45/602389045.db2.gz UKOORJXSBCBEOY-UHFFFAOYSA-N -1 1 354.350 2.161 20 0 FEADMM C[C@H](C(=O)NCCc1cccs1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738631943 602408334 /nfs/dbraw/zinc/40/83/34/602408334.db2.gz XETVIIPNCFTLHC-CYBMUJFWSA-N -1 1 353.488 2.117 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000739792330 602425518 /nfs/dbraw/zinc/42/55/18/602425518.db2.gz MBHHLJQMAHCGOI-LBPRGKRZSA-N -1 1 360.414 2.149 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000739021827 602445790 /nfs/dbraw/zinc/44/57/90/602445790.db2.gz DBPWAOMKNCJVES-LBPRGKRZSA-N -1 1 353.850 2.324 20 0 FEADMM Cc1ccc(CNC(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)cc1F ZINC000740126274 602448040 /nfs/dbraw/zinc/44/80/40/602448040.db2.gz LEPFENZAEPDKJT-CYBMUJFWSA-N -1 1 351.422 2.118 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000739025414 602449076 /nfs/dbraw/zinc/44/90/76/602449076.db2.gz JLXASHSMVYBMKW-GFCCVEGCSA-N -1 1 353.850 2.324 20 0 FEADMM CCc1ccc(C(=O)N2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000739545009 602450752 /nfs/dbraw/zinc/45/07/52/602450752.db2.gz NUXPHLPYDKSDLP-QGZVFWFLSA-N -1 1 359.470 2.397 20 0 FEADMM C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560039 602529685 /nfs/dbraw/zinc/52/96/85/602529685.db2.gz AJXSOEAQEHLIRV-AWEZNQCLSA-N -1 1 372.469 2.289 20 0 FEADMM C[C@@H](NC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737680436 602531452 /nfs/dbraw/zinc/53/14/52/602531452.db2.gz JYEISQLABJYPGP-OLZOCXBDSA-N -1 1 351.422 2.466 20 0 FEADMM CCCN(CC(=O)NCC1(c2ccccc2)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352149 602544163 /nfs/dbraw/zinc/54/41/63/602544163.db2.gz CMWRKPDLWDIQMD-KRWDZBQOSA-N -1 1 359.470 2.299 20 0 FEADMM Cc1cccc(CNC(=O)CN2CCC([C@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000740168583 602550818 /nfs/dbraw/zinc/55/08/18/602550818.db2.gz CRIBLIQHFNLGRV-GOSISDBHSA-N -1 1 359.470 2.466 20 0 FEADMM Cc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740170611 602550977 /nfs/dbraw/zinc/55/09/77/602550977.db2.gz LUPRPJMBRPINSZ-ZWKOTPCHSA-N -1 1 359.470 2.466 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])c1cccc(F)c1 ZINC000739608664 602563196 /nfs/dbraw/zinc/56/31/96/602563196.db2.gz QMRHSOULMPYNTP-QZTJIDSGSA-N -1 1 373.428 2.424 20 0 FEADMM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824938142 607575410 /nfs/dbraw/zinc/57/54/10/607575410.db2.gz TWRLMVRHQYYHST-ONGXEEELSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824938142 607575411 /nfs/dbraw/zinc/57/54/11/607575411.db2.gz TWRLMVRHQYYHST-ONGXEEELSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739183703 602601399 /nfs/dbraw/zinc/60/13/99/602601399.db2.gz SMGMFVFKQIBWHQ-BETUJISGSA-N -1 1 350.419 2.397 20 0 FEADMM COc1cc(OC)cc([C@@H](O)CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000809685033 674505067 /nfs/dbraw/zinc/50/50/67/674505067.db2.gz XICLDWCFNWFSLT-AWEZNQCLSA-N -1 1 353.321 2.151 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824929782 607585406 /nfs/dbraw/zinc/58/54/06/607585406.db2.gz ZARGELMVGZEBQH-NXEZZACHSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824929782 607585408 /nfs/dbraw/zinc/58/54/08/607585408.db2.gz ZARGELMVGZEBQH-NXEZZACHSA-N -1 1 355.851 2.377 20 0 FEADMM O=S(=O)(NCCC1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490688 607585771 /nfs/dbraw/zinc/58/57/71/607585771.db2.gz DKOUQVYGPUTMGY-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM O=S(=O)(NCCC1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490688 607585772 /nfs/dbraw/zinc/58/57/72/607585772.db2.gz DKOUQVYGPUTMGY-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM CC(C)c1ccc(CCNC(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738884967 602798695 /nfs/dbraw/zinc/79/86/95/602798695.db2.gz YNJRTEXTNOTMGO-MAUKXSAKSA-N -1 1 361.486 2.447 20 0 FEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825029186 607587512 /nfs/dbraw/zinc/58/75/12/607587512.db2.gz OKAQNHSIUVAZEL-PKNBQFBNSA-N -1 1 353.386 2.041 20 0 FEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825029186 607587514 /nfs/dbraw/zinc/58/75/14/607587514.db2.gz OKAQNHSIUVAZEL-PKNBQFBNSA-N -1 1 353.386 2.041 20 0 FEADMM C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H](C)N1C(=O)[O-] ZINC000739175090 602838798 /nfs/dbraw/zinc/83/87/98/602838798.db2.gz BJEQEMKDTCVBFN-XJKCOSOUSA-N -1 1 356.850 2.290 20 0 FEADMM C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])Cc1ccccc1 ZINC000739606045 602841046 /nfs/dbraw/zinc/84/10/46/602841046.db2.gz DSLDVMDSJUHQBM-OAHLLOKOSA-N -1 1 357.410 2.385 20 0 FEADMM CCC(CC)N(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825107497 607592189 /nfs/dbraw/zinc/59/21/89/607592189.db2.gz PLQBTKCOQQNAEZ-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000740405444 602883898 /nfs/dbraw/zinc/88/38/98/602883898.db2.gz HMZLBYKTNAYAME-CABCVRRESA-N -1 1 364.446 2.248 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1cccs1 ZINC000739608911 602955566 /nfs/dbraw/zinc/95/55/66/602955566.db2.gz RINAEJPVGWNQJV-QWHCGFSZSA-N -1 1 354.476 2.183 20 0 FEADMM CC(C)(NC(=O)[O-])c1noc(CSc2nc(-c3ccccn3)n[nH]2)n1 ZINC000738757688 602978529 /nfs/dbraw/zinc/97/85/29/602978529.db2.gz LDEWLMCZUAJEDK-UHFFFAOYSA-N -1 1 361.387 2.045 20 0 FEADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000832464038 603004711 /nfs/dbraw/zinc/00/47/11/603004711.db2.gz ADGQBBCPCTWCEJ-KKUMJFAQSA-N -1 1 364.446 2.152 20 0 FEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825147642 607600739 /nfs/dbraw/zinc/60/07/39/607600739.db2.gz KXEJJGULFWUBQF-CYBMUJFWSA-N -1 1 361.402 2.435 20 0 FEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825147642 607600741 /nfs/dbraw/zinc/60/07/41/607600741.db2.gz KXEJJGULFWUBQF-CYBMUJFWSA-N -1 1 361.402 2.435 20 0 FEADMM COCCN(CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC000739818681 603096099 /nfs/dbraw/zinc/09/60/99/603096099.db2.gz ZPHQNPLMWPOIEP-HNNXBMFYSA-N -1 1 360.414 2.161 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cnc(Cl)s2)o1 ZINC000809849004 674516406 /nfs/dbraw/zinc/51/64/06/674516406.db2.gz FSRBDHUUUVYQGV-UHFFFAOYSA-N -1 1 350.805 2.045 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)cc2)CC1 ZINC000739736305 603156183 /nfs/dbraw/zinc/15/61/83/603156183.db2.gz ISBNDWGGNCDKNW-ZBFHGGJFSA-N -1 1 360.458 2.203 20 0 FEADMM O=C(C[C@H](O)c1ccc(Cl)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826404155 607612501 /nfs/dbraw/zinc/61/25/01/607612501.db2.gz PWSLHVFVPXNHOB-AWEZNQCLSA-N -1 1 359.773 2.082 20 0 FEADMM O=C(C[C@H](O)c1ccc(Cl)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826404155 607612502 /nfs/dbraw/zinc/61/25/02/607612502.db2.gz PWSLHVFVPXNHOB-AWEZNQCLSA-N -1 1 359.773 2.082 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000827229141 603278850 /nfs/dbraw/zinc/27/88/50/603278850.db2.gz VEAZFPGUSKNYDN-UHFFFAOYSA-N -1 1 372.425 2.441 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)[O-])C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000739660897 603344194 /nfs/dbraw/zinc/34/41/94/603344194.db2.gz XDYWNZJOHIQTKS-SWLSCSKDSA-N -1 1 351.834 2.377 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)c1ccco1 ZINC000827035684 603638249 /nfs/dbraw/zinc/63/82/49/603638249.db2.gz MSPOMSHCFQOEHQ-KGLIPLIRSA-N -1 1 352.435 2.056 20 0 FEADMM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825194917 607642223 /nfs/dbraw/zinc/64/22/23/607642223.db2.gz SYWDCHNSDVDRSX-GHMZBOCLSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825194917 607642225 /nfs/dbraw/zinc/64/22/25/607642225.db2.gz SYWDCHNSDVDRSX-GHMZBOCLSA-N -1 1 353.423 2.253 20 0 FEADMM CN(C(=O)NCc1n[nH]c(-c2ccccc2)n1)C1CCC(NC(=O)[O-])CC1 ZINC000827807074 603663264 /nfs/dbraw/zinc/66/32/64/603663264.db2.gz SLSFIXRFFSQPOU-UHFFFAOYSA-N -1 1 372.429 2.192 20 0 FEADMM CN(C(=O)NCc1nc(-c2ccccc2)n[nH]1)C1CCC(NC(=O)[O-])CC1 ZINC000827807074 603663267 /nfs/dbraw/zinc/66/32/67/603663267.db2.gz SLSFIXRFFSQPOU-UHFFFAOYSA-N -1 1 372.429 2.192 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-])c1ccsc1 ZINC000827996340 603688857 /nfs/dbraw/zinc/68/88/57/603688857.db2.gz XJVLVTLJEIQDOF-IACUBPJLSA-N -1 1 354.476 2.086 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000832697398 603737993 /nfs/dbraw/zinc/73/79/93/603737993.db2.gz BBCIRXWENKLOIE-UHFFFAOYSA-N -1 1 356.357 2.442 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000824993286 607654155 /nfs/dbraw/zinc/65/41/55/607654155.db2.gz PZXVLSKIRZCBND-BDJLRTHQSA-N -1 1 373.413 2.388 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000824993286 607654156 /nfs/dbraw/zinc/65/41/56/607654156.db2.gz PZXVLSKIRZCBND-BDJLRTHQSA-N -1 1 373.413 2.388 20 0 FEADMM Cc1nnc(SCCC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)[nH]1 ZINC000830894960 603783926 /nfs/dbraw/zinc/78/39/26/603783926.db2.gz ZHCSHGAWFSEZBB-UHFFFAOYSA-N -1 1 361.427 2.270 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])ccc1F ZINC000828042606 603800784 /nfs/dbraw/zinc/80/07/84/603800784.db2.gz JKEALWQVAYJBGU-CZUORRHYSA-N -1 1 366.437 2.123 20 0 FEADMM Cn1cc(Cl)cc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000831004595 603913571 /nfs/dbraw/zinc/91/35/71/603913571.db2.gz OFRJYWZDWVDNBQ-UHFFFAOYSA-N -1 1 374.788 2.484 20 0 FEADMM Cn1cc(Cl)cc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000831004595 603913573 /nfs/dbraw/zinc/91/35/73/603913573.db2.gz OFRJYWZDWVDNBQ-UHFFFAOYSA-N -1 1 374.788 2.484 20 0 FEADMM O=C([O-])NCC1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000832590264 603962790 /nfs/dbraw/zinc/96/27/90/603962790.db2.gz RAYVHLOBLRAFPF-OAHLLOKOSA-N -1 1 351.834 2.425 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000827996498 604028697 /nfs/dbraw/zinc/02/86/97/604028697.db2.gz YEOQTOCGWYWADS-INIZCTEOSA-N -1 1 366.437 2.212 20 0 FEADMM C[C@H](CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)NC(=O)[O-] ZINC000824793504 604045617 /nfs/dbraw/zinc/04/56/17/604045617.db2.gz LHCMXBUATOCQFR-RISCZKNCSA-N -1 1 356.854 2.288 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1ccco1 ZINC000827034699 604072806 /nfs/dbraw/zinc/07/28/06/604072806.db2.gz DNYDMHJQPBEDLB-CABCVRRESA-N -1 1 366.462 2.446 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NCC(C)(C)NC(=O)[O-])N2CCCC2)o1 ZINC000830261766 604102483 /nfs/dbraw/zinc/10/24/83/604102483.db2.gz FRBMUSGQTOVDMV-ZDUSSCGKSA-N -1 1 352.435 2.070 20 0 FEADMM O=C([O-])NCCCOC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000832632908 604105690 /nfs/dbraw/zinc/10/56/90/604105690.db2.gz MGAWJABSXSZWPA-UHFFFAOYSA-N -1 1 350.415 2.097 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000825256448 604166839 /nfs/dbraw/zinc/16/68/39/604166839.db2.gz XWQLXBAWGCZBOI-IHRRRGAJSA-N -1 1 353.488 2.163 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256524 604223570 /nfs/dbraw/zinc/22/35/70/604223570.db2.gz YOYYHAWNQRMJJQ-GZBFAFLISA-N -1 1 351.422 2.199 20 0 FEADMM Cc1ccc(CNC(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1F ZINC000830314132 604235784 /nfs/dbraw/zinc/23/57/84/604235784.db2.gz VWHTXTHLSIEABG-ZFWWWQNUSA-N -1 1 351.422 2.118 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CCC[C@H]([C@H](C)NC(=O)[O-])C3)[nH]c2c1 ZINC000830432803 604270583 /nfs/dbraw/zinc/27/05/83/604270583.db2.gz LYZWUWKEPHFLJP-STQMWFEESA-N -1 1 359.430 2.449 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCSC[C@H]3CC(=O)[O-])n[nH]2)cc1 ZINC000262192180 604285596 /nfs/dbraw/zinc/28/55/96/604285596.db2.gz RFVKIXQVTUKDFQ-GFCCVEGCSA-N -1 1 361.423 2.118 20 0 FEADMM CCOCCC1(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCC1 ZINC000559053002 674525746 /nfs/dbraw/zinc/52/57/46/674525746.db2.gz BVEGNIPEGMHVFK-UHFFFAOYSA-N -1 1 369.409 2.314 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cncc(F)c3)cc2)n1 ZINC000832730246 604310697 /nfs/dbraw/zinc/31/06/97/604310697.db2.gz PNLKBZDGDOOHFM-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cncc(F)c3)cc2)n[nH]1 ZINC000832730246 604310700 /nfs/dbraw/zinc/31/07/00/604310700.db2.gz PNLKBZDGDOOHFM-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000833358101 604360067 /nfs/dbraw/zinc/36/00/67/604360067.db2.gz OOLRTHSKSAJAGU-XJKSGUPXSA-N -1 1 366.845 2.037 20 0 FEADMM O=C([O-])NC1(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000832161363 604421499 /nfs/dbraw/zinc/42/14/99/604421499.db2.gz GKUYJKWKWNNHCY-CQSZACIVSA-N -1 1 351.834 2.393 20 0 FEADMM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000833411518 604662655 /nfs/dbraw/zinc/66/26/55/604662655.db2.gz PBISUDQLLFFSGP-IAQYHMDHSA-N -1 1 370.365 2.320 20 0 FEADMM C[C@H](CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000826057954 604669471 /nfs/dbraw/zinc/66/94/71/604669471.db2.gz LJOSOGMWFUKMOH-BZUAXINKSA-N -1 1 369.506 2.018 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-])N1CCCC[C@H]1C ZINC000833614330 604683751 /nfs/dbraw/zinc/68/37/51/604683751.db2.gz GHBPKNIKLGBRPQ-NEPJUHHUSA-N -1 1 358.435 2.065 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)Nc3nc(CCC(=O)[O-])cs3)c[n-]c2[nH+]1 ZINC000832961503 604728644 /nfs/dbraw/zinc/72/86/44/604728644.db2.gz CSJDNBIYHMYJLK-UHFFFAOYSA-N -1 1 358.379 2.370 20 0 FEADMM CC(C)c1nnc(-c2ccccc2NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)[nH]1 ZINC000824482113 604738866 /nfs/dbraw/zinc/73/88/66/604738866.db2.gz HDXMMGCJBQKPJM-GFCCVEGCSA-N -1 1 373.413 2.303 20 0 FEADMM COc1cc2nc(CN(C[C@@H](C)C(=O)[O-])C3CC3)[nH]c(=O)c2cc1OC ZINC000832112764 604744241 /nfs/dbraw/zinc/74/42/41/604744241.db2.gz YUYSWONUORMFPC-SNVBAGLBSA-N -1 1 361.398 2.038 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NCC[C@H](C)NC(=O)[O-])n2)cc1 ZINC000830161296 604803269 /nfs/dbraw/zinc/80/32/69/604803269.db2.gz XVJRQDLSRPPSNB-NSHDSACASA-N -1 1 363.443 2.035 20 0 FEADMM C[C@@H](C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-])N(C)Cc1ccccc1 ZINC000833404653 604850205 /nfs/dbraw/zinc/85/02/05/604850205.db2.gz NGJSMGLXBNWVLJ-KSSFIOAISA-N -1 1 374.412 2.294 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)CN(c3ccccc3)C2=O)C1 ZINC000833420855 604863954 /nfs/dbraw/zinc/86/39/54/604863954.db2.gz ZXXZHLVXLGBGSO-CQSZACIVSA-N -1 1 359.426 2.236 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC3(CC3)CC2)cc(C(=O)[O-])c1 ZINC000833712227 604932033 /nfs/dbraw/zinc/93/20/33/604932033.db2.gz ASSAGYWAXWWNTF-LBPRGKRZSA-N -1 1 360.410 2.374 20 0 FEADMM C[C@H]1CCc2c(sc(NC(=O)CN3CCN(C)[C@@H](C)C3)c2C(=O)[O-])C1 ZINC000833616948 604933811 /nfs/dbraw/zinc/93/38/11/604933811.db2.gz KUNYAVAIKGHMPC-RYUDHWBXSA-N -1 1 365.499 2.146 20 0 FEADMM CN(C(=O)CN1CCc2ccc(O)cc2CC1)c1ccccc1C(=O)[O-] ZINC000833686554 604945205 /nfs/dbraw/zinc/94/52/05/604945205.db2.gz ZGKJRVXXJTVQAE-UHFFFAOYSA-N -1 1 354.406 2.154 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3CCC[C@@H]3CC(=O)[O-])C2=O)cc1 ZINC000830237286 604976218 /nfs/dbraw/zinc/97/62/18/604976218.db2.gz INPUTBFYUBFMOL-UZLBHIALSA-N -1 1 373.453 2.303 20 0 FEADMM CC(C)C[C@H]1CCN([C@@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833483045 605000514 /nfs/dbraw/zinc/00/05/14/605000514.db2.gz KNJMVAPFHGSNQY-DGCLKSJQSA-N -1 1 350.440 2.446 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC000833512758 605003623 /nfs/dbraw/zinc/00/36/23/605003623.db2.gz SYSMSRIMVWUKJU-QMMMGPOBSA-N -1 1 372.834 2.319 20 0 FEADMM CC(C)Oc1cccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833507614 605045164 /nfs/dbraw/zinc/04/51/64/605045164.db2.gz XJCORIOHDFLIDU-OAHLLOKOSA-N -1 1 363.458 2.164 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000833623456 605049435 /nfs/dbraw/zinc/04/94/35/605049435.db2.gz HUOKJBWEHLRCGD-CQSZACIVSA-N -1 1 365.449 2.294 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)Cc3cccc(C(=O)[O-])c3)[nH]c21 ZINC000833716454 605061642 /nfs/dbraw/zinc/06/16/42/605061642.db2.gz HMLDRFDXEISFIE-UHFFFAOYSA-N -1 1 353.334 2.229 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C[C@H](C)c2ccc(F)cc2F)CC1 ZINC000630219938 605079275 /nfs/dbraw/zinc/07/92/75/605079275.db2.gz KFSYFRVNUNSTTF-QWHCGFSZSA-N -1 1 354.397 2.466 20 0 FEADMM C[C@@H]1CCc2c(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)csc2C1 ZINC000833617962 605107993 /nfs/dbraw/zinc/10/79/93/605107993.db2.gz XNLIIMRDGWEYDD-CHWSQXEVSA-N -1 1 350.484 2.494 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000833625304 605108920 /nfs/dbraw/zinc/10/89/20/605108920.db2.gz KSCCYPZLPPENOH-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(c2ccccc2)CCC1 ZINC000833624311 605137570 /nfs/dbraw/zinc/13/75/70/605137570.db2.gz KHBHOHTXCLYFDB-INIZCTEOSA-N -1 1 359.470 2.299 20 0 FEADMM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cccc3c2OCO3)cc1 ZINC000833775047 605167874 /nfs/dbraw/zinc/16/78/74/605167874.db2.gz UBKLNUZCSVREOS-UHFFFAOYSA-N -1 1 365.363 2.070 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000833628638 605194235 /nfs/dbraw/zinc/19/42/35/605194235.db2.gz MPQMCMJOMIQMAK-HNNXBMFYSA-N -1 1 361.486 2.403 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc2ccccc2c1 ZINC000833629376 605200342 /nfs/dbraw/zinc/20/03/42/605200342.db2.gz UKHYLQLYLFRHDQ-HNNXBMFYSA-N -1 1 355.438 2.259 20 0 FEADMM C[C@@H]1CCc2c(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)csc2C1 ZINC000833617015 605253417 /nfs/dbraw/zinc/25/34/17/605253417.db2.gz MNEJXUZOBRIFOY-OLZOCXBDSA-N -1 1 350.484 2.494 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CCN1CCC(=O)[O-] ZINC000833617653 605258796 /nfs/dbraw/zinc/25/87/96/605258796.db2.gz FXXISZXHQQYBBL-OSAQELSMSA-N -1 1 352.381 2.076 20 0 FEADMM O=C([O-])N(CC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000831451168 605298265 /nfs/dbraw/zinc/29/82/65/605298265.db2.gz QMGMPBDZCNPDIQ-UHFFFAOYSA-N -1 1 369.356 2.412 20 0 FEADMM O=C([O-])N(CC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000831451168 605298268 /nfs/dbraw/zinc/29/82/68/605298268.db2.gz QMGMPBDZCNPDIQ-UHFFFAOYSA-N -1 1 369.356 2.412 20 0 FEADMM O=C([O-])N1CCCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000834103095 605350864 /nfs/dbraw/zinc/35/08/64/605350864.db2.gz IXVIALYQJHJGMR-LBPRGKRZSA-N -1 1 362.348 2.131 20 0 FEADMM O=C([O-])NC1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000834150774 605375712 /nfs/dbraw/zinc/37/57/12/605375712.db2.gz BBTTVPPHNWUAPR-CYBMUJFWSA-N -1 1 361.446 2.359 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@H]21 ZINC000834184688 605441643 /nfs/dbraw/zinc/44/16/43/605441643.db2.gz RIKXCKZIRKBUEL-IUIKQTSFSA-N -1 1 358.394 2.367 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@H]21 ZINC000834184688 605441646 /nfs/dbraw/zinc/44/16/46/605441646.db2.gz RIKXCKZIRKBUEL-IUIKQTSFSA-N -1 1 358.394 2.367 20 0 FEADMM C[C@H]1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc21 ZINC000824919140 607763999 /nfs/dbraw/zinc/76/39/99/607763999.db2.gz RXKRIEKKOBTMIV-IINYFYTJSA-N -1 1 352.402 2.360 20 0 FEADMM C[C@H]1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc21 ZINC000824919140 607764000 /nfs/dbraw/zinc/76/40/00/607764000.db2.gz RXKRIEKKOBTMIV-IINYFYTJSA-N -1 1 352.402 2.360 20 0 FEADMM O=C([O-])NCCN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000834239355 605729995 /nfs/dbraw/zinc/72/99/95/605729995.db2.gz LPCYKZXGTQZAQF-CQSZACIVSA-N -1 1 357.414 2.109 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)n[nH]2)cc1 ZINC000829234356 605756932 /nfs/dbraw/zinc/75/69/32/605756932.db2.gz MJPQPTNDTXXJPG-YPMHNXCESA-N -1 1 358.398 2.346 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)n[nH]1 ZINC000830031514 605806681 /nfs/dbraw/zinc/80/66/81/605806681.db2.gz WBRNSVLSTNXVQN-YMTOWFKASA-N -1 1 350.806 2.428 20 0 FEADMM O=C([O-])N1CCC2(CC[N@H+](Cc3cc(=O)oc4cc([O-])ccc34)C2)CC1 ZINC000834091826 605900772 /nfs/dbraw/zinc/90/07/72/605900772.db2.gz JRTAOCGQWGOLOC-UHFFFAOYSA-N -1 1 358.394 2.465 20 0 FEADMM O=C([O-])N1CCC2(CC[N@@H+](Cc3cc(=O)oc4cc([O-])ccc34)C2)CC1 ZINC000834091826 605900774 /nfs/dbraw/zinc/90/07/74/605900774.db2.gz JRTAOCGQWGOLOC-UHFFFAOYSA-N -1 1 358.394 2.465 20 0 FEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000833833497 605905602 /nfs/dbraw/zinc/90/56/02/605905602.db2.gz YQNRCNJSASZYQG-RYUDHWBXSA-N -1 1 371.840 2.416 20 0 FEADMM O=C([O-])NC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000834216225 605950343 /nfs/dbraw/zinc/95/03/43/605950343.db2.gz PGXYRGAEGABUDT-GJZGRUSLSA-N -1 1 364.446 2.248 20 0 FEADMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000833827007 606014281 /nfs/dbraw/zinc/01/42/81/606014281.db2.gz VIUZSJDDVUALAY-YLJYHZDGSA-N -1 1 374.485 2.379 20 0 FEADMM Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)nc2ccccc12 ZINC000822449671 606021073 /nfs/dbraw/zinc/02/10/73/606021073.db2.gz JPIRQBMITQHEOQ-UHFFFAOYSA-N -1 1 369.388 2.482 20 0 FEADMM O=C([O-])Nc1cnc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cn1 ZINC000834279520 606053792 /nfs/dbraw/zinc/05/37/92/606053792.db2.gz LSTITCQTRCQKRC-LBPRGKRZSA-N -1 1 361.427 2.195 20 0 FEADMM CC(C)CN1CCO[C@H](COC(=O)Cc2ccccc2NC(=O)[O-])C1 ZINC000833796229 606092493 /nfs/dbraw/zinc/09/24/93/606092493.db2.gz LFKLWJYSAQHENA-HNNXBMFYSA-N -1 1 350.415 2.219 20 0 FEADMM O=C([O-])N[C@H]1CCc2ncc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2C1 ZINC000834196113 606096137 /nfs/dbraw/zinc/09/61/37/606096137.db2.gz MDUKEQHYJHXAAO-NSHDSACASA-N -1 1 367.365 2.442 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000820847668 606134173 /nfs/dbraw/zinc/13/41/73/606134173.db2.gz IQOREYYVWHSLFQ-LBPRGKRZSA-N -1 1 365.459 2.414 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000820847668 606134174 /nfs/dbraw/zinc/13/41/74/606134174.db2.gz IQOREYYVWHSLFQ-LBPRGKRZSA-N -1 1 365.459 2.414 20 0 FEADMM Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822361724 606141142 /nfs/dbraw/zinc/14/11/42/606141142.db2.gz HPBGJHFGIWZOBX-SNVBAGLBSA-N -1 1 357.395 2.421 20 0 FEADMM Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822361724 606141145 /nfs/dbraw/zinc/14/11/45/606141145.db2.gz HPBGJHFGIWZOBX-SNVBAGLBSA-N -1 1 357.395 2.421 20 0 FEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820826260 606144622 /nfs/dbraw/zinc/14/46/22/606144622.db2.gz LRCHDYHRTFXMIM-JTQLQIEISA-N -1 1 359.386 2.271 20 0 FEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820826260 606144623 /nfs/dbraw/zinc/14/46/23/606144623.db2.gz LRCHDYHRTFXMIM-JTQLQIEISA-N -1 1 359.386 2.271 20 0 FEADMM CC(C)Oc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820155403 606156494 /nfs/dbraw/zinc/15/64/94/606156494.db2.gz PKYKKCBTESLXTD-NSHDSACASA-N -1 1 370.417 2.270 20 0 FEADMM CC(C)Oc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820155403 606156495 /nfs/dbraw/zinc/15/64/95/606156495.db2.gz PKYKKCBTESLXTD-NSHDSACASA-N -1 1 370.417 2.270 20 0 FEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668421 606158004 /nfs/dbraw/zinc/15/80/04/606158004.db2.gz SFZDMVCFPLBXEN-YGRLFVJLSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668421 606158006 /nfs/dbraw/zinc/15/80/06/606158006.db2.gz SFZDMVCFPLBXEN-YGRLFVJLSA-N -1 1 370.392 2.354 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2csc3ccccc23)n1 ZINC000822620447 606159865 /nfs/dbraw/zinc/15/98/65/606159865.db2.gz QVTNEELBJKAZRH-UHFFFAOYSA-N -1 1 368.426 2.179 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2csc3ccccc23)n1 ZINC000822620447 606159867 /nfs/dbraw/zinc/15/98/67/606159867.db2.gz QVTNEELBJKAZRH-UHFFFAOYSA-N -1 1 368.426 2.179 20 0 FEADMM Cc1ccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822232284 606165818 /nfs/dbraw/zinc/16/58/18/606165818.db2.gz ZQBLSCJHFDQNEB-UHFFFAOYSA-N -1 1 364.413 2.230 20 0 FEADMM Cc1ccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822232284 606165820 /nfs/dbraw/zinc/16/58/20/606165820.db2.gz ZQBLSCJHFDQNEB-UHFFFAOYSA-N -1 1 364.413 2.230 20 0 FEADMM Cc1ccccc1[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CC1 ZINC000822351607 606167091 /nfs/dbraw/zinc/16/70/91/606167091.db2.gz PIMOOAREOCKBOG-CQSZACIVSA-N -1 1 352.402 2.181 20 0 FEADMM Cc1ccccc1[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CC1 ZINC000822351607 606167093 /nfs/dbraw/zinc/16/70/93/606167093.db2.gz PIMOOAREOCKBOG-CQSZACIVSA-N -1 1 352.402 2.181 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCC(c3ccccc3)CC2)n1 ZINC000822614302 606167654 /nfs/dbraw/zinc/16/76/54/606167654.db2.gz LSFNZSYKAVUPBA-UHFFFAOYSA-N -1 1 366.429 2.448 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCC(c3ccccc3)CC2)n1 ZINC000822614302 606167655 /nfs/dbraw/zinc/16/76/55/606167655.db2.gz LSFNZSYKAVUPBA-UHFFFAOYSA-N -1 1 366.429 2.448 20 0 FEADMM CCCN(CCc1cccc(F)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821099900 606170887 /nfs/dbraw/zinc/17/08/87/606170887.db2.gz QMYZTIIIEOHMET-UHFFFAOYSA-N -1 1 372.408 2.226 20 0 FEADMM CCCN(CCc1cccc(F)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821099900 606170889 /nfs/dbraw/zinc/17/08/89/606170889.db2.gz QMYZTIIIEOHMET-UHFFFAOYSA-N -1 1 372.408 2.226 20 0 FEADMM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822234658 606172773 /nfs/dbraw/zinc/17/27/73/606172773.db2.gz CNMUJBAJNKHQOH-LBPRGKRZSA-N -1 1 354.418 2.004 20 0 FEADMM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822234658 606172775 /nfs/dbraw/zinc/17/27/75/606172775.db2.gz CNMUJBAJNKHQOH-LBPRGKRZSA-N -1 1 354.418 2.004 20 0 FEADMM COc1ccc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1F ZINC000821790163 606194916 /nfs/dbraw/zinc/19/49/16/606194916.db2.gz IOTUQIRXIRZTHX-UHFFFAOYSA-N -1 1 357.345 2.291 20 0 FEADMM CN(Cc1nc2ccccc2n1C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821618077 606221466 /nfs/dbraw/zinc/22/14/66/606221466.db2.gz PHWBCGKMDXMOKR-UHFFFAOYSA-N -1 1 360.834 2.500 20 0 FEADMM CN(Cc1nc2ccccc2n1C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821618077 606221468 /nfs/dbraw/zinc/22/14/68/606221468.db2.gz PHWBCGKMDXMOKR-UHFFFAOYSA-N -1 1 360.834 2.500 20 0 FEADMM c1cn(CCCc2ccccc2)c(CNc2nccnc2-c2nnn[n-]2)n1 ZINC000823780159 606233356 /nfs/dbraw/zinc/23/33/56/606233356.db2.gz OTPKQKRYQLKSEE-UHFFFAOYSA-N -1 1 361.413 2.098 20 0 FEADMM c1cn(CCCc2ccccc2)c(CNc2nccnc2-c2nn[n-]n2)n1 ZINC000823780159 606233358 /nfs/dbraw/zinc/23/33/58/606233358.db2.gz OTPKQKRYQLKSEE-UHFFFAOYSA-N -1 1 361.413 2.098 20 0 FEADMM Cc1nsc(N(C)C(=O)C=Cc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000822530513 606236931 /nfs/dbraw/zinc/23/69/31/606236931.db2.gz FBAFWQRXUIOIDC-XQRVVYSFSA-N -1 1 370.394 2.037 20 0 FEADMM Cc1nsc(N(C)C(=O)C=Cc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000822530513 606236932 /nfs/dbraw/zinc/23/69/32/606236932.db2.gz FBAFWQRXUIOIDC-XQRVVYSFSA-N -1 1 370.394 2.037 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821361705 606284441 /nfs/dbraw/zinc/28/44/41/606284441.db2.gz WRNFTHZHDFNDFS-CABCVRRESA-N -1 1 356.430 2.119 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821361705 606284442 /nfs/dbraw/zinc/28/44/42/606284442.db2.gz WRNFTHZHDFNDFS-CABCVRRESA-N -1 1 356.430 2.119 20 0 FEADMM COc1ccc(C(=O)CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821769996 606293889 /nfs/dbraw/zinc/29/38/89/606293889.db2.gz MWHICOIHVODLEW-UHFFFAOYSA-N -1 1 367.365 2.183 20 0 FEADMM COCCONC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821693243 606368159 /nfs/dbraw/zinc/36/81/59/606368159.db2.gz YQESBAQLHLXGBV-UHFFFAOYSA-N -1 1 373.344 2.106 20 0 FEADMM COCCONC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821693243 606368161 /nfs/dbraw/zinc/36/81/61/606368161.db2.gz YQESBAQLHLXGBV-UHFFFAOYSA-N -1 1 373.344 2.106 20 0 FEADMM Clc1ccc(NCc2nncn2-c2ccccc2)nc1-c1nnn[n-]1 ZINC000822579246 606452695 /nfs/dbraw/zinc/45/26/95/606452695.db2.gz ZDWAQIQRXQHYDM-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2nncn2-c2ccccc2)nc1-c1nn[n-]n1 ZINC000822579246 606452698 /nfs/dbraw/zinc/45/26/98/606452698.db2.gz ZDWAQIQRXQHYDM-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM FC(F)(F)CN1CC[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822718211 606457539 /nfs/dbraw/zinc/45/75/39/606457539.db2.gz CHBCCCZURZHVGP-MRVPVSSYSA-N -1 1 361.759 2.211 20 0 FEADMM FC(F)(F)CN1CC[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822718211 606457540 /nfs/dbraw/zinc/45/75/40/606457540.db2.gz CHBCCCZURZHVGP-MRVPVSSYSA-N -1 1 361.759 2.211 20 0 FEADMM O=C(OCCNc1ncnc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000823405924 606469649 /nfs/dbraw/zinc/46/96/49/606469649.db2.gz XVLHHMDDLGVAHR-UHFFFAOYSA-N -1 1 367.394 2.140 20 0 FEADMM O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823223774 606500976 /nfs/dbraw/zinc/50/09/76/606500976.db2.gz ILQCGKMTUNFCCH-UHFFFAOYSA-N -1 1 365.422 2.086 20 0 FEADMM O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823223774 606500977 /nfs/dbraw/zinc/50/09/77/606500977.db2.gz ILQCGKMTUNFCCH-UHFFFAOYSA-N -1 1 365.422 2.086 20 0 FEADMM O=C(NCCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823223565 606501251 /nfs/dbraw/zinc/50/12/51/606501251.db2.gz DBYAMRULRLZABB-UHFFFAOYSA-N -1 1 350.407 2.449 20 0 FEADMM O=C(NCCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823223565 606501253 /nfs/dbraw/zinc/50/12/53/606501253.db2.gz DBYAMRULRLZABB-UHFFFAOYSA-N -1 1 350.407 2.449 20 0 FEADMM CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821634989 606513465 /nfs/dbraw/zinc/51/34/65/606513465.db2.gz FUGTXHVQNIOLFQ-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821634989 606513466 /nfs/dbraw/zinc/51/34/66/606513466.db2.gz FUGTXHVQNIOLFQ-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1OCC ZINC000821127831 606532058 /nfs/dbraw/zinc/53/20/58/606532058.db2.gz LSLUUNRAOKLPTM-UHFFFAOYSA-N -1 1 357.374 2.030 20 0 FEADMM CCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1OCC ZINC000821127831 606532060 /nfs/dbraw/zinc/53/20/60/606532060.db2.gz LSLUUNRAOKLPTM-UHFFFAOYSA-N -1 1 357.374 2.030 20 0 FEADMM O=C(NCc1cccnc1N1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261941 606536647 /nfs/dbraw/zinc/53/66/47/606536647.db2.gz XPRBDWZHBGXNSV-UHFFFAOYSA-N -1 1 369.454 2.244 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358678 606547270 /nfs/dbraw/zinc/54/72/70/606547270.db2.gz KBJGDACRXSGCKB-GJZGRUSLSA-N -1 1 358.446 2.318 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358678 606547273 /nfs/dbraw/zinc/54/72/73/606547273.db2.gz KBJGDACRXSGCKB-GJZGRUSLSA-N -1 1 358.446 2.318 20 0 FEADMM CC(C)n1cnnc1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820215050 606554704 /nfs/dbraw/zinc/55/47/04/606554704.db2.gz QUNSHLLIYAVEBB-UHFFFAOYSA-N -1 1 372.458 2.120 20 0 FEADMM CC(C)n1cnnc1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820215050 606554705 /nfs/dbraw/zinc/55/47/05/606554705.db2.gz QUNSHLLIYAVEBB-UHFFFAOYSA-N -1 1 372.458 2.120 20 0 FEADMM O=C(NC1(c2ccccc2)CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139463 606561165 /nfs/dbraw/zinc/56/11/65/606561165.db2.gz FKPQHHSLFYFJHM-UHFFFAOYSA-N -1 1 355.423 2.364 20 0 FEADMM O=C(NC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139463 606561167 /nfs/dbraw/zinc/56/11/67/606561167.db2.gz FKPQHHSLFYFJHM-UHFFFAOYSA-N -1 1 355.423 2.364 20 0 FEADMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821882693 606573167 /nfs/dbraw/zinc/57/31/67/606573167.db2.gz ICNFYXNUHUTDRI-YOEHRIQHSA-N -1 1 355.423 2.397 20 0 FEADMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821882693 606573169 /nfs/dbraw/zinc/57/31/69/606573169.db2.gz ICNFYXNUHUTDRI-YOEHRIQHSA-N -1 1 355.423 2.397 20 0 FEADMM c1ccc(-c2ccc(NCCNc3cccc(-c4nnn[n-]4)n3)nn2)cc1 ZINC000823767470 606643075 /nfs/dbraw/zinc/64/30/75/606643075.db2.gz RVJWDJAZZWAXIE-UHFFFAOYSA-N -1 1 359.397 2.243 20 0 FEADMM c1ccc(-c2ccc(NCCNc3cccc(-c4nn[n-]n4)n3)nn2)cc1 ZINC000823767470 606643076 /nfs/dbraw/zinc/64/30/76/606643076.db2.gz RVJWDJAZZWAXIE-UHFFFAOYSA-N -1 1 359.397 2.243 20 0 FEADMM CCOc1ccc(SCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821426763 606646738 /nfs/dbraw/zinc/64/67/38/606646738.db2.gz JEMQNEYNQCKUSZ-UHFFFAOYSA-N -1 1 371.422 2.496 20 0 FEADMM CCOc1ccc(SCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821426763 606646739 /nfs/dbraw/zinc/64/67/39/606646739.db2.gz JEMQNEYNQCKUSZ-UHFFFAOYSA-N -1 1 371.422 2.496 20 0 FEADMM Cc1nc(C(F)(F)F)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822427346 606648278 /nfs/dbraw/zinc/64/82/78/606648278.db2.gz KJYGTQQLAOVNKK-UHFFFAOYSA-N -1 1 364.287 2.341 20 0 FEADMM Cc1nc(C(F)(F)F)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822427346 606648279 /nfs/dbraw/zinc/64/82/79/606648279.db2.gz KJYGTQQLAOVNKK-UHFFFAOYSA-N -1 1 364.287 2.341 20 0 FEADMM Cc1ccc(-c2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)n[nH]2)cc1 ZINC000822214216 606649600 /nfs/dbraw/zinc/64/96/00/606649600.db2.gz UVACJJIXKQUABL-UHFFFAOYSA-N -1 1 361.365 2.317 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)c(F)cc(F)c1F ZINC000823436403 606653301 /nfs/dbraw/zinc/65/33/01/606653301.db2.gz UBYYLDALZFVXCU-UHFFFAOYSA-N -1 1 353.235 2.175 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)c(F)cc(F)c1F ZINC000823436403 606653302 /nfs/dbraw/zinc/65/33/02/606653302.db2.gz UBYYLDALZFVXCU-UHFFFAOYSA-N -1 1 353.235 2.175 20 0 FEADMM O=S(=O)([N-]c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823582929 606656112 /nfs/dbraw/zinc/65/61/12/606656112.db2.gz DHHMHWJOSJIKKD-UHFFFAOYSA-N -1 1 367.394 2.058 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(F)c(F)c2)n1 ZINC000819971811 606683974 /nfs/dbraw/zinc/68/39/74/606683974.db2.gz SEHMFIQYZNCAAM-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(F)c(F)c2)n1 ZINC000819971811 606683975 /nfs/dbraw/zinc/68/39/75/606683975.db2.gz SEHMFIQYZNCAAM-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM c1csc([C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000823815994 606726775 /nfs/dbraw/zinc/72/67/75/606726775.db2.gz NHVMKFVHHFXHIO-CYBMUJFWSA-N -1 1 365.422 2.449 20 0 FEADMM c1csc([C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000823815994 606726776 /nfs/dbraw/zinc/72/67/76/606726776.db2.gz NHVMKFVHHFXHIO-CYBMUJFWSA-N -1 1 365.422 2.449 20 0 FEADMM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820571271 606762774 /nfs/dbraw/zinc/76/27/74/606762774.db2.gz XEKJWQKJTNHJNG-LLVKDONJSA-N -1 1 361.402 2.388 20 0 FEADMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820703245 606840266 /nfs/dbraw/zinc/84/02/66/606840266.db2.gz DJCDSSNMTALELT-GXFFZTMASA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000820438191 606884096 /nfs/dbraw/zinc/88/40/96/606884096.db2.gz KFOMUQAGFPQMPA-ZETCQYMHSA-N -1 1 371.394 2.246 20 0 FEADMM CCC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821040860 606895713 /nfs/dbraw/zinc/89/57/13/606895713.db2.gz TXAUMGZYAPKXHJ-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM CCC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821040860 606895715 /nfs/dbraw/zinc/89/57/15/606895715.db2.gz TXAUMGZYAPKXHJ-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(c2ccc(F)cc2)CCOCC1 ZINC000823380073 607025047 /nfs/dbraw/zinc/02/50/47/607025047.db2.gz PEMLXAHERLDZGW-UHFFFAOYSA-N -1 1 374.401 2.149 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(c2ccc(F)cc2)CCOCC1 ZINC000823380073 607025048 /nfs/dbraw/zinc/02/50/48/607025048.db2.gz PEMLXAHERLDZGW-UHFFFAOYSA-N -1 1 374.401 2.149 20 0 FEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000821309941 607032839 /nfs/dbraw/zinc/03/28/39/607032839.db2.gz URBJCLPHMJJIMI-UHFFFAOYSA-N -1 1 374.426 2.108 20 0 FEADMM C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820727553 607047036 /nfs/dbraw/zinc/04/70/36/607047036.db2.gz MRBLPEKHISDLSC-BDAKNGLRSA-N -1 1 350.839 2.261 20 0 FEADMM CC(C)Oc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)ccn1 ZINC000820151219 607143433 /nfs/dbraw/zinc/14/34/33/607143433.db2.gz CZPQYFCGTKJSRE-UHFFFAOYSA-N -1 1 370.417 2.253 20 0 FEADMM CC(C)Oc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)ccn1 ZINC000820151219 607143435 /nfs/dbraw/zinc/14/34/35/607143435.db2.gz CZPQYFCGTKJSRE-UHFFFAOYSA-N -1 1 370.417 2.253 20 0 FEADMM Cc1nc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)s1 ZINC000822436203 607239158 /nfs/dbraw/zinc/23/91/58/607239158.db2.gz IJEMQWJRCFPXRN-UHFFFAOYSA-N -1 1 360.447 2.073 20 0 FEADMM Cc1nc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c(C)s1 ZINC000822436203 607239159 /nfs/dbraw/zinc/23/91/59/607239159.db2.gz IJEMQWJRCFPXRN-UHFFFAOYSA-N -1 1 360.447 2.073 20 0 FEADMM Nc1ccc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)c(Cl)c1 ZINC000826396209 607813466 /nfs/dbraw/zinc/81/34/66/607813466.db2.gz MSEHRLNZBBHLTK-UHFFFAOYSA-N -1 1 374.817 2.143 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000826340645 607824955 /nfs/dbraw/zinc/82/49/55/607824955.db2.gz GGBHGQCULWAQRP-GFCCVEGCSA-N -1 1 370.413 2.246 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000826340645 607824956 /nfs/dbraw/zinc/82/49/56/607824956.db2.gz GGBHGQCULWAQRP-GFCCVEGCSA-N -1 1 370.413 2.246 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cnc1Cl ZINC000826272437 607867592 /nfs/dbraw/zinc/86/75/92/607867592.db2.gz JMHGWMILROYRGA-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cnc1Cl ZINC000826272437 607867593 /nfs/dbraw/zinc/86/75/93/607867593.db2.gz JMHGWMILROYRGA-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM FC(F)(F)c1ccc(-c2nc(Cn3cnc(-c4nn[n-]n4)n3)co2)cc1 ZINC000826368144 607893294 /nfs/dbraw/zinc/89/32/94/607893294.db2.gz DFQNCQSKSFVFQO-UHFFFAOYSA-N -1 1 362.275 2.180 20 0 FEADMM COCC(C)(C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826148275 607919309 /nfs/dbraw/zinc/91/93/09/607919309.db2.gz DNLYFPLEKLUMOS-UHFFFAOYSA-N -1 1 370.413 2.077 20 0 FEADMM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825833595 607934124 /nfs/dbraw/zinc/93/41/24/607934124.db2.gz IVFWHUCBFJVVLY-ZDUSSCGKSA-N -1 1 371.832 2.027 20 0 FEADMM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825833595 607934125 /nfs/dbraw/zinc/93/41/25/607934125.db2.gz IVFWHUCBFJVVLY-ZDUSSCGKSA-N -1 1 371.832 2.027 20 0 FEADMM CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000823972451 607956443 /nfs/dbraw/zinc/95/64/43/607956443.db2.gz BNSLBDIGNRMQJQ-GFCCVEGCSA-N -1 1 368.422 2.156 20 0 FEADMM CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000823972451 607956444 /nfs/dbraw/zinc/95/64/44/607956444.db2.gz BNSLBDIGNRMQJQ-GFCCVEGCSA-N -1 1 368.422 2.156 20 0 FEADMM c1nn(-c2cnc3ccccc3n2)cc1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826517962 607967454 /nfs/dbraw/zinc/96/74/54/607967454.db2.gz WTIIJAIYMMBBQE-UHFFFAOYSA-N -1 1 356.353 2.134 20 0 FEADMM c1nn(-c2cnc3ccccc3n2)cc1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826517962 607967455 /nfs/dbraw/zinc/96/74/55/607967455.db2.gz WTIIJAIYMMBBQE-UHFFFAOYSA-N -1 1 356.353 2.134 20 0 FEADMM C[C@@](O)(CNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824680237 607967874 /nfs/dbraw/zinc/96/78/74/607967874.db2.gz ZMAKYYWRMLRYJH-CYBMUJFWSA-N -1 1 354.798 2.435 20 0 FEADMM C[C@@](O)(CNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824680237 607967875 /nfs/dbraw/zinc/96/78/75/607967875.db2.gz ZMAKYYWRMLRYJH-CYBMUJFWSA-N -1 1 354.798 2.435 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1C ZINC000824024353 607982540 /nfs/dbraw/zinc/98/25/40/607982540.db2.gz AXZYUOMZJMYCIJ-UHFFFAOYSA-N -1 1 371.422 2.487 20 0 FEADMM CCC[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCO1 ZINC000825251177 608010052 /nfs/dbraw/zinc/01/00/52/608010052.db2.gz AIHMJWSYBURWKA-ZDUSSCGKSA-N -1 1 370.413 2.200 20 0 FEADMM CCC[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCO1 ZINC000825251177 608010053 /nfs/dbraw/zinc/01/00/53/608010053.db2.gz AIHMJWSYBURWKA-ZDUSSCGKSA-N -1 1 370.413 2.200 20 0 FEADMM COc1cccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)c1OC ZINC000826214039 608012851 /nfs/dbraw/zinc/01/28/51/608012851.db2.gz XNSHZIKEDNCYPL-UHFFFAOYSA-N -1 1 369.410 2.252 20 0 FEADMM COc1cccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)c1OC ZINC000826214039 608012852 /nfs/dbraw/zinc/01/28/52/608012852.db2.gz XNSHZIKEDNCYPL-UHFFFAOYSA-N -1 1 369.410 2.252 20 0 FEADMM C[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000824480322 608013521 /nfs/dbraw/zinc/01/35/21/608013521.db2.gz VOJQXDDUMMPNFP-QMMMGPOBSA-N -1 1 366.212 2.247 20 0 FEADMM C[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000824480322 608013522 /nfs/dbraw/zinc/01/35/22/608013522.db2.gz VOJQXDDUMMPNFP-QMMMGPOBSA-N -1 1 366.212 2.247 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)c1ccc[nH]1 ZINC000826340586 608030476 /nfs/dbraw/zinc/03/04/76/608030476.db2.gz DHBWVPQKXZHMBY-SNVBAGLBSA-N -1 1 351.370 2.378 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)c1ccc[nH]1 ZINC000826340586 608030477 /nfs/dbraw/zinc/03/04/77/608030477.db2.gz DHBWVPQKXZHMBY-SNVBAGLBSA-N -1 1 351.370 2.378 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCCN1c1ccccc1F ZINC000826478213 608053767 /nfs/dbraw/zinc/05/37/67/608053767.db2.gz XAJICZTZRBTKSW-ZDUSSCGKSA-N -1 1 353.361 2.008 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCCN1c1ccccc1F ZINC000826478213 608053768 /nfs/dbraw/zinc/05/37/68/608053768.db2.gz XAJICZTZRBTKSW-ZDUSSCGKSA-N -1 1 353.361 2.008 20 0 FEADMM Cc1nn(CCCSCc2ccccc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334798 608054784 /nfs/dbraw/zinc/05/47/84/608054784.db2.gz JWLFVQHGDHTCIH-UHFFFAOYSA-N -1 1 356.455 2.364 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000826341068 608077511 /nfs/dbraw/zinc/07/75/11/608077511.db2.gz VKLDLIHYHBKUDW-ZYHUDNBSSA-N -1 1 357.370 2.283 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000826341068 608077512 /nfs/dbraw/zinc/07/75/12/608077512.db2.gz VKLDLIHYHBKUDW-ZYHUDNBSSA-N -1 1 357.370 2.283 20 0 FEADMM Cc1oc(NC(=O)CN(C)[C@H](C)c2ccccn2)c(-c2nn[n-]n2)c1C ZINC000826341367 608087246 /nfs/dbraw/zinc/08/72/46/608087246.db2.gz FZQDKRGSQLSAJT-LLVKDONJSA-N -1 1 355.402 2.103 20 0 FEADMM CN(C[C@H]1CC=CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825909529 608124639 /nfs/dbraw/zinc/12/46/39/608124639.db2.gz ZXBGMLZFGCVYBV-NSHDSACASA-N -1 1 367.862 2.497 20 0 FEADMM CN(C[C@H]1CC=CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825909529 608124640 /nfs/dbraw/zinc/12/46/40/608124640.db2.gz ZXBGMLZFGCVYBV-NSHDSACASA-N -1 1 367.862 2.497 20 0 FEADMM CN(C[C@H]1CC=CCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825908496 608124690 /nfs/dbraw/zinc/12/46/90/608124690.db2.gz IORZHIBCSMNUEX-NSHDSACASA-N -1 1 367.862 2.497 20 0 FEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CCCO1 ZINC000826271810 608153790 /nfs/dbraw/zinc/15/37/90/608153790.db2.gz IQQNZQRZKCJPDO-HNNXBMFYSA-N -1 1 366.381 2.480 20 0 FEADMM Cc1cc([C@@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)ccc1F ZINC000826266260 608172847 /nfs/dbraw/zinc/17/28/47/608172847.db2.gz IVYPQRXXYKQQGA-KRWDZBQOSA-N -1 1 354.389 2.283 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nnc2n1CCCCC2 ZINC000824670581 608173276 /nfs/dbraw/zinc/17/32/76/608173276.db2.gz RRQFZSRDNJNXEE-SSDOTTSWSA-N -1 1 365.854 2.468 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nnc2n1CCCCC2 ZINC000824670581 608173278 /nfs/dbraw/zinc/17/32/78/608173278.db2.gz RRQFZSRDNJNXEE-SSDOTTSWSA-N -1 1 365.854 2.468 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ncccc1C(F)(F)F ZINC000826467383 608178140 /nfs/dbraw/zinc/17/81/40/608178140.db2.gz UEEAJGGEQWWNAZ-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ncccc1C(F)(F)F ZINC000826467383 608178141 /nfs/dbraw/zinc/17/81/41/608178141.db2.gz UEEAJGGEQWWNAZ-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM Clc1nsc(Nc2cnn(Cc3ccccn3)c2)c1-c1nnn[n-]1 ZINC000826354638 608181847 /nfs/dbraw/zinc/18/18/47/608181847.db2.gz OAMBFUNIMIPPMK-UHFFFAOYSA-N -1 1 359.806 2.360 20 0 FEADMM Clc1nsc(Nc2cnn(Cc3ccccn3)c2)c1-c1nn[n-]n1 ZINC000826354638 608181849 /nfs/dbraw/zinc/18/18/49/608181849.db2.gz OAMBFUNIMIPPMK-UHFFFAOYSA-N -1 1 359.806 2.360 20 0 FEADMM FC(F)(F)Cn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826367732 608184381 /nfs/dbraw/zinc/18/43/81/608184381.db2.gz LRYANHORXFAEPJ-UHFFFAOYSA-N -1 1 350.717 2.479 20 0 FEADMM FC(F)(F)Cn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826367732 608184383 /nfs/dbraw/zinc/18/43/83/608184383.db2.gz LRYANHORXFAEPJ-UHFFFAOYSA-N -1 1 350.717 2.479 20 0 FEADMM OC[C@@H](Cc1ccc(F)cc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826507560 608305676 /nfs/dbraw/zinc/30/56/76/608305676.db2.gz QUGJNOCHUJGWHU-SECBINFHSA-N -1 1 354.798 2.131 20 0 FEADMM OC[C@@H](Cc1ccc(F)cc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826507560 608305678 /nfs/dbraw/zinc/30/56/78/608305678.db2.gz QUGJNOCHUJGWHU-SECBINFHSA-N -1 1 354.798 2.131 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3cc(C)ccc32)c(-c2nn[n-]n2)c1C ZINC000826294644 608324086 /nfs/dbraw/zinc/32/40/86/608324086.db2.gz YBKAXXRNJOGJPM-UHFFFAOYSA-N -1 1 352.398 2.386 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC000824961687 608341785 /nfs/dbraw/zinc/34/17/85/608341785.db2.gz GIGURBFYDDLVHI-NXEZZACHSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC000824961687 608341788 /nfs/dbraw/zinc/34/17/88/608341788.db2.gz GIGURBFYDDLVHI-NXEZZACHSA-N -1 1 355.851 2.187 20 0 FEADMM Cc1noc(C2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)n1 ZINC000826339786 608371716 /nfs/dbraw/zinc/37/17/16/608371716.db2.gz TVAUNNZUMMRUKX-UHFFFAOYSA-N -1 1 362.397 2.490 20 0 FEADMM Cc1noc(C2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000826339786 608371718 /nfs/dbraw/zinc/37/17/18/608371718.db2.gz TVAUNNZUMMRUKX-UHFFFAOYSA-N -1 1 362.397 2.490 20 0 FEADMM COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1OCC(F)(F)F ZINC000826210246 608396592 /nfs/dbraw/zinc/39/65/92/608396592.db2.gz JZTRPDVLPJNTKL-UHFFFAOYSA-N -1 1 367.291 2.350 20 0 FEADMM COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1OCC(F)(F)F ZINC000826210246 608396593 /nfs/dbraw/zinc/39/65/93/608396593.db2.gz JZTRPDVLPJNTKL-UHFFFAOYSA-N -1 1 367.291 2.350 20 0 FEADMM CC(C)OCCOCc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824315060 608406128 /nfs/dbraw/zinc/40/61/28/608406128.db2.gz JTMFUMQXUJAQIF-UHFFFAOYSA-N -1 1 355.402 2.342 20 0 FEADMM CC(C)OCCOCc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824315060 608406129 /nfs/dbraw/zinc/40/61/29/608406129.db2.gz JTMFUMQXUJAQIF-UHFFFAOYSA-N -1 1 355.402 2.342 20 0 FEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650551 608410107 /nfs/dbraw/zinc/41/01/07/608410107.db2.gz RNUQCOFCEAIVCT-RYUDHWBXSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650551 608410108 /nfs/dbraw/zinc/41/01/08/608410108.db2.gz RNUQCOFCEAIVCT-RYUDHWBXSA-N -1 1 374.449 2.104 20 0 FEADMM c1sc(-c2ccccc2)nc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826519304 608431085 /nfs/dbraw/zinc/43/10/85/608431085.db2.gz SOOFXIRZOIOJAB-UHFFFAOYSA-N -1 1 350.411 2.435 20 0 FEADMM c1sc(-c2ccccc2)nc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826519304 608431086 /nfs/dbraw/zinc/43/10/86/608431086.db2.gz SOOFXIRZOIOJAB-UHFFFAOYSA-N -1 1 350.411 2.435 20 0 FEADMM CN(Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825981136 608433375 /nfs/dbraw/zinc/43/33/75/608433375.db2.gz PMBVIAMWDIQVRP-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CN(Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825981136 608433377 /nfs/dbraw/zinc/43/33/77/608433377.db2.gz PMBVIAMWDIQVRP-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473419 608513123 /nfs/dbraw/zinc/51/31/23/608513123.db2.gz XOFJVSVSDNUVPN-UHFFFAOYSA-N -1 1 372.816 2.071 20 0 FEADMM O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473419 608513124 /nfs/dbraw/zinc/51/31/24/608513124.db2.gz XOFJVSVSDNUVPN-UHFFFAOYSA-N -1 1 372.816 2.071 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000826280212 608528528 /nfs/dbraw/zinc/52/85/28/608528528.db2.gz RRIUWBBPXQJFSW-UHFFFAOYSA-N -1 1 357.395 2.006 20 0 FEADMM CCc1nnc(Oc2ccc3c(c2)CN(C)C3=O)c(-c2nnn[n-]2)c1CC ZINC000825770520 608553216 /nfs/dbraw/zinc/55/32/16/608553216.db2.gz AEFLCMHACUHMIJ-UHFFFAOYSA-N -1 1 365.397 2.159 20 0 FEADMM CCc1nnc(Oc2ccc3c(c2)CN(C)C3=O)c(-c2nn[n-]n2)c1CC ZINC000825770520 608553218 /nfs/dbraw/zinc/55/32/18/608553218.db2.gz AEFLCMHACUHMIJ-UHFFFAOYSA-N -1 1 365.397 2.159 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCC(C)(C)C1 ZINC000826232749 608555389 /nfs/dbraw/zinc/55/53/89/608555389.db2.gz GZJFLINACUTYSH-LBPRGKRZSA-N -1 1 358.446 2.212 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824900951 608565138 /nfs/dbraw/zinc/56/51/38/608565138.db2.gz WXFQEJIIFVKQQQ-HFAKWTLXSA-N -1 1 365.434 2.348 20 0 FEADMM CCOc1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1O ZINC000825615987 608566765 /nfs/dbraw/zinc/56/67/65/608566765.db2.gz RTVUUQJTFINGAZ-XQRVVYSFSA-N -1 1 367.365 2.123 20 0 FEADMM CCOc1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1O ZINC000825615987 608566767 /nfs/dbraw/zinc/56/67/67/608566767.db2.gz RTVUUQJTFINGAZ-XQRVVYSFSA-N -1 1 367.365 2.123 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826332843 608583523 /nfs/dbraw/zinc/58/35/23/608583523.db2.gz KBVNATADEZIJBP-CYBMUJFWSA-N -1 1 366.351 2.005 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H](NCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826332843 608583524 /nfs/dbraw/zinc/58/35/24/608583524.db2.gz KBVNATADEZIJBP-CYBMUJFWSA-N -1 1 366.351 2.005 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824114339 608584981 /nfs/dbraw/zinc/58/49/81/608584981.db2.gz OXDGVJNCWAFBHX-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824114339 608584982 /nfs/dbraw/zinc/58/49/82/608584982.db2.gz OXDGVJNCWAFBHX-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM CCN1CC(=O)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000825445031 609276745 /nfs/dbraw/zinc/27/67/45/609276745.db2.gz UWOHDXVZLFSWFW-UHFFFAOYSA-N -1 1 368.422 2.379 20 0 FEADMM CC(C)c1nc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000824358184 609277978 /nfs/dbraw/zinc/27/79/78/609277978.db2.gz BEGWGRLKTYDBTL-UHFFFAOYSA-N -1 1 369.364 2.310 20 0 FEADMM CC(C)c1noc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000824371650 609280246 /nfs/dbraw/zinc/28/02/46/609280246.db2.gz NEZMJBXYLDIBNW-UHFFFAOYSA-N -1 1 369.364 2.310 20 0 FEADMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nc1 ZINC000826282259 609287556 /nfs/dbraw/zinc/28/75/56/609287556.db2.gz GGCYFUGSRWFMSO-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826282532 609291113 /nfs/dbraw/zinc/29/11/13/609291113.db2.gz SSADFCSYHRGIEO-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826458455 609314001 /nfs/dbraw/zinc/31/40/01/609314001.db2.gz QQGHWVIYDQWBEQ-MSRIBSCDSA-N -1 1 353.361 2.176 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C2CCC1CC2 ZINC000826458471 609365413 /nfs/dbraw/zinc/36/54/13/609365413.db2.gz RFBBFWKWGQFEKU-UHFFFAOYSA-N -1 1 368.376 2.350 20 0 FEADMM Cc1onc(CC(=O)Nc2nc(CC(C)(C)C)cs2)c1-c1nnn[n-]1 ZINC000826348736 609471447 /nfs/dbraw/zinc/47/14/47/609471447.db2.gz BKDNTUSQLJPLJQ-UHFFFAOYSA-N -1 1 361.431 2.389 20 0 FEADMM Cc1onc(CC(=O)Nc2nc(CC(C)(C)C)cs2)c1-c1nn[n-]n1 ZINC000826348736 609471449 /nfs/dbraw/zinc/47/14/49/609471449.db2.gz BKDNTUSQLJPLJQ-UHFFFAOYSA-N -1 1 361.431 2.389 20 0 FEADMM CC(C)c1nc([C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC000824359131 609494635 /nfs/dbraw/zinc/49/46/35/609494635.db2.gz STEIMUWEQJTSJC-LBPRGKRZSA-N -1 1 355.406 2.285 20 0 FEADMM CC(C)c1nc([C@@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC000824359131 609494637 /nfs/dbraw/zinc/49/46/37/609494637.db2.gz STEIMUWEQJTSJC-LBPRGKRZSA-N -1 1 355.406 2.285 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824994043 609610642 /nfs/dbraw/zinc/61/06/42/609610642.db2.gz SMYAOANYPPHSMF-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM CC1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)OCCO1 ZINC000810688592 674557093 /nfs/dbraw/zinc/55/70/93/674557093.db2.gz PXJIGDWQDJLJOE-UHFFFAOYSA-N -1 1 367.199 2.196 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cnc1Cl ZINC000811832783 674632085 /nfs/dbraw/zinc/63/20/85/674632085.db2.gz YWFPMDMUUTYVFX-UHFFFAOYSA-N -1 1 356.713 2.286 20 0 FEADMM C[C@@H](CC(F)(F)F)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811904263 674637700 /nfs/dbraw/zinc/63/77/00/674637700.db2.gz XCJZEHYZSUOCPG-IUCAKERBSA-N -1 1 363.302 2.427 20 0 FEADMM O=C([N-]OC/C=C/Cl)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000812409766 674673433 /nfs/dbraw/zinc/67/34/33/674673433.db2.gz XSWHPTBLVKQEOL-UXONFWTHSA-N -1 1 373.236 2.368 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000562335585 674742931 /nfs/dbraw/zinc/74/29/31/674742931.db2.gz QGGPZEKCRLQLAV-LURJTMIESA-N -1 1 369.296 2.455 20 0 FEADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1COC1 ZINC000562568101 674771095 /nfs/dbraw/zinc/77/10/95/674771095.db2.gz ZFCKKPCEGSJRBQ-UHFFFAOYSA-N -1 1 360.435 2.348 20 0 FEADMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(Cl)c2nonc21 ZINC000814393954 674840882 /nfs/dbraw/zinc/84/08/82/674840882.db2.gz YPLUMUMTKUBIEZ-UHFFFAOYSA-N -1 1 355.725 2.497 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000563602021 674914679 /nfs/dbraw/zinc/91/46/79/674914679.db2.gz JFHZJXXFGVOOTE-AAEUAGOBSA-N -1 1 363.357 2.203 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)s1 ZINC000563765869 674937058 /nfs/dbraw/zinc/93/70/58/674937058.db2.gz JEZUHKQUCVSDHB-UHFFFAOYSA-N -1 1 351.413 2.087 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000564063052 674969245 /nfs/dbraw/zinc/96/92/45/674969245.db2.gz RFKYWCJJNDVAKY-VIFPVBQESA-N -1 1 367.345 2.286 20 0 FEADMM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1ccc(Br)o1 ZINC000564413358 675013878 /nfs/dbraw/zinc/01/38/78/675013878.db2.gz FERXSWPSMKJXES-UHFFFAOYSA-N -1 1 372.240 2.498 20 0 FEADMM CC(Nc1cccnc1Cl)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009769281 669984439 /nfs/dbraw/zinc/98/44/39/669984439.db2.gz PIVDXHQIWBHABD-LUAWRHEFSA-N -1 1 352.847 2.320 20 0 FEADMM CC(Nc1ccc(-c2csc(C)n2)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000010515102 669988554 /nfs/dbraw/zinc/98/85/54/669988554.db2.gz QUYRSHLFHIQULZ-UHFFFAOYSA-N -1 1 358.448 2.335 20 0 FEADMM NC(=O)Cc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000024491697 670055527 /nfs/dbraw/zinc/05/55/27/670055527.db2.gz UXCGRNAAFJPAEQ-UHFFFAOYSA-N -1 1 373.463 2.336 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NOC)cc2)cc1 ZINC000025825597 670064821 /nfs/dbraw/zinc/06/48/21/670064821.db2.gz FWGOJNUFQBFYGP-UHFFFAOYSA-N -1 1 350.396 2.177 20 0 FEADMM O=S(=O)([N-]c1cccc(F)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000026154560 670068094 /nfs/dbraw/zinc/06/80/94/670068094.db2.gz QMOHACGVVBIWGY-UHFFFAOYSA-N -1 1 370.427 2.067 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)n2C)c1 ZINC000028837278 670092762 /nfs/dbraw/zinc/09/27/62/670092762.db2.gz PGCFLIVZERHRDM-UHFFFAOYSA-N -1 1 365.455 2.322 20 0 FEADMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000032143869 670126397 /nfs/dbraw/zinc/12/63/97/670126397.db2.gz JRVXYUFGROIGBN-UHFFFAOYSA-N -1 1 369.311 2.018 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(Cl)ccc2O)cc1 ZINC000039587748 670141620 /nfs/dbraw/zinc/14/16/20/670141620.db2.gz JDZMMRKJTYZNBW-UHFFFAOYSA-N -1 1 363.753 2.168 20 0 FEADMM O=C(NC[C@@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000041336382 670144680 /nfs/dbraw/zinc/14/46/80/670144680.db2.gz XLTHLWOJKAFMQL-GFCCVEGCSA-N -1 1 366.211 2.324 20 0 FEADMM CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CC(C)C ZINC000042167675 670158550 /nfs/dbraw/zinc/15/85/50/670158550.db2.gz BETRFLOZSPYPRX-GFCCVEGCSA-N -1 1 364.414 2.404 20 0 FEADMM COCCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000043854190 670180348 /nfs/dbraw/zinc/18/03/48/670180348.db2.gz GJZGYYODAJICQQ-UHFFFAOYSA-N -1 1 367.398 2.359 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2)o1 ZINC000046314670 670220491 /nfs/dbraw/zinc/22/04/91/670220491.db2.gz PFCXDRBLBDCOEF-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCOc2ccc(Cl)cc2)o1 ZINC000046315758 670220516 /nfs/dbraw/zinc/22/05/16/670220516.db2.gz HKGBLTKRLHKAEY-UHFFFAOYSA-N -1 1 373.814 2.467 20 0 FEADMM Cc1noc(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000048164488 670258466 /nfs/dbraw/zinc/25/84/66/670258466.db2.gz HOBCSQMXJNALDQ-UHFFFAOYSA-N -1 1 369.443 2.233 20 0 FEADMM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000050123653 670282178 /nfs/dbraw/zinc/28/21/78/670282178.db2.gz GYNKODSUUJQJKD-UHFFFAOYSA-N -1 1 372.368 2.041 20 0 FEADMM Cc1ccc(CCC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])o1 ZINC000565123549 675096105 /nfs/dbraw/zinc/09/61/05/675096105.db2.gz YCHBYAUNSBRTOX-UHFFFAOYSA-N -1 1 364.423 2.306 20 0 FEADMM COc1ccccc1CN(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000054236044 670333842 /nfs/dbraw/zinc/33/38/42/670333842.db2.gz PPBHSIJHLQFFIH-UHFFFAOYSA-N -1 1 361.467 2.400 20 0 FEADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000055663584 670353643 /nfs/dbraw/zinc/35/36/43/670353643.db2.gz NRPAVXMFEKSUNC-UHFFFAOYSA-N -1 1 352.391 2.093 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000817129735 675100259 /nfs/dbraw/zinc/10/02/59/675100259.db2.gz LWJLQKNCUZDEHN-OAHLLOKOSA-N -1 1 367.471 2.141 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1 ZINC000058497337 670378570 /nfs/dbraw/zinc/37/85/70/670378570.db2.gz VBVGSGZVPZDRLL-UHFFFAOYSA-N -1 1 366.782 2.082 20 0 FEADMM Cc1sc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c(C#N)c1C ZINC000060862952 670390171 /nfs/dbraw/zinc/39/01/71/670390171.db2.gz CAWYLQDRIZPLNB-SDQBBNPISA-N -1 1 362.480 2.432 20 0 FEADMM COCCN1C(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)[N-]C1=S ZINC000060861019 670390286 /nfs/dbraw/zinc/39/02/86/670390286.db2.gz HFKCQQRNQHERIS-CLFYSBASSA-N -1 1 374.249 2.179 20 0 FEADMM CCn1c(CNC(=O)c2[nH]nc(C(C)C)c2Br)n[n-]c1=S ZINC000066637087 670445418 /nfs/dbraw/zinc/44/54/18/670445418.db2.gz HGVMPWAGZLWQNK-UHFFFAOYSA-N -1 1 373.280 2.500 20 0 FEADMM CCn1cc(Br)cc1C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051341 670452003 /nfs/dbraw/zinc/45/20/03/670452003.db2.gz HXVDPHQHARMHAO-UHFFFAOYSA-N -1 1 358.265 2.034 20 0 FEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067072741 670452439 /nfs/dbraw/zinc/45/24/39/670452439.db2.gz LCUKPEOLDXRVSG-JTQLQIEISA-N -1 1 350.492 2.334 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc(=O)[nH]c2ccccc21 ZINC000067079653 670453257 /nfs/dbraw/zinc/45/32/57/670453257.db2.gz KASSEARNZYUOMQ-UHFFFAOYSA-N -1 1 355.423 2.090 20 0 FEADMM COc1cccc(COCC(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067080083 670453352 /nfs/dbraw/zinc/45/33/52/670453352.db2.gz MIOWLEJPMLZCGG-UHFFFAOYSA-N -1 1 362.455 2.160 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3c(C)cccc3C2)o1 ZINC000565390180 675117237 /nfs/dbraw/zinc/11/72/37/675117237.db2.gz GEAMDXKDSYXLSU-CYBMUJFWSA-N -1 1 365.407 2.047 20 0 FEADMM C[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1ccc(Br)cc1 ZINC000565397278 675117611 /nfs/dbraw/zinc/11/76/11/675117611.db2.gz WKACDDZOQZUOHG-SECBINFHSA-N -1 1 350.220 2.261 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1CCNC2=O)c1ccccc1 ZINC000569790759 670612568 /nfs/dbraw/zinc/61/25/68/670612568.db2.gz ZHIFFDZBGQSGAO-KRWDZBQOSA-N -1 1 360.435 2.102 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2cc(F)ccc2N2CCCCC2)s1 ZINC000079937935 670613354 /nfs/dbraw/zinc/61/33/54/670613354.db2.gz KVQDPJTXROOYIU-ZDUSSCGKSA-N -1 1 350.419 2.101 20 0 FEADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000080076230 670615777 /nfs/dbraw/zinc/61/57/77/670615777.db2.gz YGNCYUSAMHJHCF-YPMHNXCESA-N -1 1 360.487 2.195 20 0 FEADMM N#C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1cccc(Cl)c1Cl ZINC000080161144 670617574 /nfs/dbraw/zinc/61/75/74/670617574.db2.gz LISCEHZSCGMHFQ-DTWKUNHWSA-N -1 1 357.222 2.021 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)c1 ZINC000565481022 675125778 /nfs/dbraw/zinc/12/57/78/675125778.db2.gz LTFMORLLWIFVLO-UHFFFAOYSA-N -1 1 371.365 2.266 20 0 FEADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000570158873 670670189 /nfs/dbraw/zinc/67/01/89/670670189.db2.gz UVXLMDGTKLBXMF-SUNKGSAMSA-N -1 1 350.440 2.208 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1c[nH]nc1-c1ccccc1F ZINC000087391548 670687182 /nfs/dbraw/zinc/68/71/82/670687182.db2.gz MQLDTLPCSUMERY-UHFFFAOYSA-N -1 1 360.418 2.462 20 0 FEADMM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000570465818 670718241 /nfs/dbraw/zinc/71/82/41/670718241.db2.gz QXTPTVBEEHGNLK-WDEREUQCSA-N -1 1 369.409 2.311 20 0 FEADMM O=C([N-]OCCC1CC1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000817446145 675134127 /nfs/dbraw/zinc/13/41/27/675134127.db2.gz HVDNCEQKYSVXHN-CQSZACIVSA-N -1 1 366.845 2.415 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000570639149 670744605 /nfs/dbraw/zinc/74/46/05/670744605.db2.gz VFFZIFPDTMXYFE-OAHLLOKOSA-N -1 1 372.215 2.101 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000570790636 670769784 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371.684 2.183 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)ccc1F ZINC000178184308 672389566 /nfs/dbraw/zinc/38/95/66/672389566.db2.gz PFGBVDTXKGHJEX-UHFFFAOYSA-N -1 1 352.387 2.479 20 0 FEADMM Cc1ncc(C(=O)N[N-]C(=O)c2cc(F)ccc2Br)c(C)n1 ZINC000180260752 672411771 /nfs/dbraw/zinc/41/17/71/672411771.db2.gz IHZPWPTZVNHSLA-UHFFFAOYSA-N -1 1 367.178 2.070 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C(F)(F)C(F)F)c1 ZINC000180961574 672420411 /nfs/dbraw/zinc/42/04/11/672420411.db2.gz POUKZHXQGCCMCH-UHFFFAOYSA-N -1 1 372.340 2.262 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(C[C@@H]2CCCO2)CC1 ZINC000678995648 672459112 /nfs/dbraw/zinc/45/91/12/672459112.db2.gz QZCDHUAIYZAJBR-ZDUSSCGKSA-N -1 1 358.360 2.348 20 0 FEADMM Cc1cccc(C2(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])CCC2)c1 ZINC000679114242 672467071 /nfs/dbraw/zinc/46/70/71/672467071.db2.gz VLDLATLRAFMOIN-UHFFFAOYSA-N -1 1 360.435 2.408 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCN(C)c2ccccc2)c(F)c1 ZINC000588674595 672470389 /nfs/dbraw/zinc/47/03/89/672470389.db2.gz LTCSNAROTXATRN-UHFFFAOYSA-N -1 1 356.394 2.388 20 0 FEADMM CC(C)(C)c1nc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cs1 ZINC000588696330 672472815 /nfs/dbraw/zinc/47/28/15/672472815.db2.gz BRGSOPOBLJVCNX-CQSZACIVSA-N -1 1 356.455 2.402 20 0 FEADMM CCn1nc(C)c(NC(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1C ZINC000183654045 672475871 /nfs/dbraw/zinc/47/58/71/672475871.db2.gz DYZJFRHYQPNDBD-UHFFFAOYSA-N -1 1 351.794 2.345 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccc1Br ZINC000588926426 672494413 /nfs/dbraw/zinc/49/44/13/672494413.db2.gz WEMMWYPULFFVPZ-CYBMUJFWSA-N -1 1 358.199 2.482 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000589428953 672524546 /nfs/dbraw/zinc/52/45/46/672524546.db2.gz JNSXNQAWGXYHJQ-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]NC(=O)Cc1cc[nH]n1 ZINC000186132042 672542077 /nfs/dbraw/zinc/54/20/77/672542077.db2.gz JMCMLWBOPSBWPP-UHFFFAOYSA-N -1 1 359.773 2.030 20 0 FEADMM Cc1[nH]nc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c1[O-] ZINC000680272241 672561256 /nfs/dbraw/zinc/56/12/56/672561256.db2.gz JPFLDUVKLYVTJT-UHFFFAOYSA-N -1 1 350.806 2.162 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@@]12CCCO2 ZINC000680538849 672585410 /nfs/dbraw/zinc/58/54/10/672585410.db2.gz QSESCJRISWOIDD-ZNMIVQPWSA-N -1 1 365.373 2.109 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000680654020 672596765 /nfs/dbraw/zinc/59/67/65/672596765.db2.gz GYVSQLZIKSFXSV-HNNXBMFYSA-N -1 1 366.483 2.271 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000680654020 672596768 /nfs/dbraw/zinc/59/67/68/672596768.db2.gz GYVSQLZIKSFXSV-HNNXBMFYSA-N -1 1 366.483 2.271 20 0 FEADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1O ZINC000680809833 672602693 /nfs/dbraw/zinc/60/26/93/672602693.db2.gz RGOGVBKOUDPHTE-UHFFFAOYSA-N -1 1 359.411 2.000 20 0 FEADMM CCc1nsc(N2CCCN(C(=O)c3ccc([O-])c(F)c3)CC2)n1 ZINC000681051449 672625151 /nfs/dbraw/zinc/62/51/51/672625151.db2.gz CLIOJOXVPHXEMI-UHFFFAOYSA-N -1 1 350.419 2.298 20 0 FEADMM Cn1cc([C@@H]2CSCCN2Cn2[n-]c(-c3ccccn3)nc2=S)cn1 ZINC000189868856 672625961 /nfs/dbraw/zinc/62/59/61/672625961.db2.gz HPBPWCJXRCHEJR-AWEZNQCLSA-N -1 1 373.511 2.484 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CC(c2cccnc2)=NO1 ZINC000190845806 672652006 /nfs/dbraw/zinc/65/20/06/672652006.db2.gz OCUWZILVNKBQNH-NSHDSACASA-N -1 1 363.171 2.076 20 0 FEADMM Cc1ncsc1CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000591247188 672661703 /nfs/dbraw/zinc/66/17/03/672661703.db2.gz MTKXXYRMMKPSSI-UHFFFAOYSA-N -1 1 355.423 2.176 20 0 FEADMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cccc1F)Cc1ccccc1 ZINC000681577001 672676251 /nfs/dbraw/zinc/67/62/51/672676251.db2.gz IPXCGRQRYVTSJD-GFCCVEGCSA-N -1 1 355.362 2.187 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000681577565 672676747 /nfs/dbraw/zinc/67/67/47/672676747.db2.gz BNQIZJZALIVBDR-INIZCTEOSA-N -1 1 368.499 2.029 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccn(C)c2C)c1 ZINC000192572196 672695037 /nfs/dbraw/zinc/69/50/37/672695037.db2.gz VRYGZXIILWTOJI-UHFFFAOYSA-N -1 1 365.455 2.322 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)n1 ZINC000591649317 672697242 /nfs/dbraw/zinc/69/72/42/672697242.db2.gz HZAOZUQXTJTIHJ-UHFFFAOYSA-N -1 1 368.842 2.435 20 0 FEADMM Cc1cc(COCC(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)on1 ZINC000193600138 672730279 /nfs/dbraw/zinc/73/02/79/672730279.db2.gz KMLXAWDKXISDSF-UHFFFAOYSA-N -1 1 358.181 2.268 20 0 FEADMM CC[C@]([N-]S(=O)(=O)CCOCC1CCC1)(C(=O)OC)c1ccccc1 ZINC000592026529 672735916 /nfs/dbraw/zinc/73/59/16/672735916.db2.gz ATUMWLSILVLJIQ-GOSISDBHSA-N -1 1 369.483 2.201 20 0 FEADMM COC(=O)C1CCC([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000592028208 672736332 /nfs/dbraw/zinc/73/63/32/672736332.db2.gz VRMNNJAPMIDHIF-UHFFFAOYSA-N -1 1 366.361 2.111 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CCC1)c1ccc(F)c(C)c1 ZINC000592047269 672741680 /nfs/dbraw/zinc/74/16/80/672741680.db2.gz QHQFIUQLWQJOOC-INIZCTEOSA-N -1 1 373.446 2.084 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(C)cc2)c(F)c1 ZINC000682418503 672754212 /nfs/dbraw/zinc/75/42/12/672754212.db2.gz CIEQBZBXLQLNCO-CYBMUJFWSA-N -1 1 371.405 2.164 20 0 FEADMM O=S(=O)(Cc1noc2c1CCCC2)c1nc(Cc2cccs2)n[n-]1 ZINC000195162217 672776929 /nfs/dbraw/zinc/77/69/29/672776929.db2.gz GQJNBHXISGTAQE-UHFFFAOYSA-N -1 1 364.452 2.298 20 0 FEADMM O=S(=O)(Cc1noc2c1CCCC2)c1n[n-]c(Cc2cccs2)n1 ZINC000195162217 672776933 /nfs/dbraw/zinc/77/69/33/672776933.db2.gz GQJNBHXISGTAQE-UHFFFAOYSA-N -1 1 364.452 2.298 20 0 FEADMM CCn1cnnc1CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000682724458 672786604 /nfs/dbraw/zinc/78/66/04/672786604.db2.gz BBZHCLSMCXNTOY-UHFFFAOYSA-N -1 1 367.233 2.265 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1 ZINC000592353103 672790476 /nfs/dbraw/zinc/79/04/76/672790476.db2.gz SMHARAXLURJWDI-MRXNPFEDSA-N -1 1 373.471 2.422 20 0 FEADMM O=S(=O)([N-]CCn1cccc1)c1cc(Br)cnc1Cl ZINC000226579215 672795436 /nfs/dbraw/zinc/79/54/36/672795436.db2.gz SCONAZHKFQCRSB-UHFFFAOYSA-N -1 1 364.652 2.278 20 0 FEADMM Cc1cc(C)n(CC(=O)NN=Cc2ccc([O-])c(Br)c2)n1 ZINC000254310966 672880069 /nfs/dbraw/zinc/88/00/69/672880069.db2.gz MJOGHADXXRMQKC-UHFFFAOYSA-N -1 1 351.204 2.118 20 0 FEADMM COc1ccc(NC(=O)[C@H]2Cc3ccc(F)cc32)cc1[N-]S(C)(=O)=O ZINC000684376350 672929447 /nfs/dbraw/zinc/92/94/47/672929447.db2.gz IQSGWRMYXSQFDT-AWEZNQCLSA-N -1 1 364.398 2.484 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCN(c2cnccn2)CC1 ZINC000684870590 672972963 /nfs/dbraw/zinc/97/29/63/672972963.db2.gz KLDFLRCQRACHSR-UHFFFAOYSA-N -1 1 352.316 2.163 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CN(C)c2nc3ccccc3s2)n1 ZINC000593901911 673006461 /nfs/dbraw/zinc/00/64/61/673006461.db2.gz XJWCBQZMNBTQIF-UHFFFAOYSA-N -1 1 359.411 2.271 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F)c1ccccc1 ZINC000295518634 673007482 /nfs/dbraw/zinc/00/74/82/673007482.db2.gz IJAJBPGBOWGUTJ-HOTGVXAUSA-N -1 1 371.405 2.305 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)ccc12 ZINC000685501740 673015678 /nfs/dbraw/zinc/01/56/78/673015678.db2.gz JWMFTIXFLPABPY-UHFFFAOYSA-N -1 1 354.819 2.221 20 0 FEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)no1 ZINC000685604317 673027526 /nfs/dbraw/zinc/02/75/26/673027526.db2.gz QTCXLDARXOVFLG-QMMMGPOBSA-N -1 1 363.798 2.438 20 0 FEADMM CCCC[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C)C(=O)[O-] ZINC000326440587 673053134 /nfs/dbraw/zinc/05/31/34/673053134.db2.gz ZANIHYYZIWTWSY-JKSUJKDBSA-N -1 1 351.447 2.241 20 0 FEADMM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594459552 673075397 /nfs/dbraw/zinc/07/53/97/673075397.db2.gz CEGXQUMDNYXUPK-UHFFFAOYSA-N -1 1 367.826 2.359 20 0 FEADMM CO[C@]1(C[N-]S(=O)(=O)c2sccc2Br)CCSC1 ZINC000719303942 673078606 /nfs/dbraw/zinc/07/86/06/673078606.db2.gz WENMBYVYEPQDPR-JTQLQIEISA-N -1 1 372.331 2.311 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c1F ZINC000594470506 673079217 /nfs/dbraw/zinc/07/92/17/673079217.db2.gz KCDZKPZXOZGXSS-SNVBAGLBSA-N -1 1 365.810 2.113 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000612992024 676105609 /nfs/dbraw/zinc/10/56/09/676105609.db2.gz IUIAOKKJYJNLOH-UHFFFAOYSA-N -1 1 363.391 2.210 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000727853116 673184889 /nfs/dbraw/zinc/18/48/89/673184889.db2.gz OUSGHNKIRUAKNY-UHFFFAOYSA-N -1 1 356.407 2.053 20 0 FEADMM C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1c(Cl)cccc1Cl ZINC000727854528 673184961 /nfs/dbraw/zinc/18/49/61/673184961.db2.gz JZUDURSYEGOTEL-SNVBAGLBSA-N -1 1 370.236 2.153 20 0 FEADMM CN(CC[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)OC(C)(C)C ZINC000728587908 673205037 /nfs/dbraw/zinc/20/50/37/673205037.db2.gz WEOVVRIZRGQVMO-UHFFFAOYSA-N -1 1 350.387 2.110 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)cc1C ZINC000595312187 673221497 /nfs/dbraw/zinc/22/14/97/673221497.db2.gz QRTJSSZEKYDKAL-UHFFFAOYSA-N -1 1 359.350 2.174 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)cc1C ZINC000595314721 673221878 /nfs/dbraw/zinc/22/18/78/673221878.db2.gz JYPFGZXMDHIQGO-ZDUSSCGKSA-N -1 1 367.423 2.429 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)cc1C ZINC000595315870 673222143 /nfs/dbraw/zinc/22/21/43/673222143.db2.gz FWIJBOQUEUGYMQ-GFCCVEGCSA-N -1 1 365.407 2.219 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3OC)cc1C ZINC000595316882 673222741 /nfs/dbraw/zinc/22/27/41/673222741.db2.gz AIAMSUWFFPTQBC-ZDUSSCGKSA-N -1 1 365.407 2.349 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2csc([C@H](C)OC)n2)cc1C ZINC000595319325 673223391 /nfs/dbraw/zinc/22/33/91/673223391.db2.gz QLJRYDKIQDNXQR-VIFPVBQESA-N -1 1 374.440 2.017 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1C ZINC000595320825 673223657 /nfs/dbraw/zinc/22/36/57/673223657.db2.gz HIDPSVDDMXOFLH-VXGBXAGGSA-N -1 1 359.444 2.247 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)c2nc(C)cs2)cc1C ZINC000595329926 673225868 /nfs/dbraw/zinc/22/58/68/673225868.db2.gz YPPUKVYTOVWHLL-SECBINFHSA-N -1 1 358.441 2.222 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)cc1C ZINC000595331729 673226264 /nfs/dbraw/zinc/22/62/64/673226264.db2.gz BXVHWPWNMSNFMB-QMTHXVAHSA-N -1 1 351.380 2.175 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3F)no2)o1 ZINC000729273684 673230824 /nfs/dbraw/zinc/23/08/24/673230824.db2.gz ZLOVGNIHHMCQPD-UHFFFAOYSA-N -1 1 365.342 2.234 20 0 FEADMM CNS(=O)(=O)c1ccc(C(=O)[N-]c2cc(-c3ccccc3F)no2)o1 ZINC000729273684 673230829 /nfs/dbraw/zinc/23/08/29/673230829.db2.gz ZLOVGNIHHMCQPD-UHFFFAOYSA-N -1 1 365.342 2.234 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](OC)C2CCCCC2)cc1C ZINC000595378207 673237383 /nfs/dbraw/zinc/23/73/83/673237383.db2.gz WZAVLOCOGFIKRA-CYBMUJFWSA-N -1 1 359.444 2.248 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)o1 ZINC000462681749 673274411 /nfs/dbraw/zinc/27/44/11/673274411.db2.gz BZPHTSNUCYNKKQ-UWVGGRQHSA-N -1 1 350.234 2.278 20 0 FEADMM C[C@@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@@H](C)O1 ZINC000730358956 673277656 /nfs/dbraw/zinc/27/76/56/673277656.db2.gz FGYAHDSMOSPBEK-RKDXNWHRSA-N -1 1 362.209 2.492 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)C(=O)Nc1ccccc1 ZINC000731038985 673298922 /nfs/dbraw/zinc/29/89/22/673298922.db2.gz LMWWWZPOBICNOB-UHFFFAOYSA-N -1 1 370.862 2.078 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000479996320 673319253 /nfs/dbraw/zinc/31/92/53/673319253.db2.gz QQZBTIGEZNQCHT-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCCOCC(F)(F)F ZINC000731447958 673330671 /nfs/dbraw/zinc/33/06/71/673330671.db2.gz RFYPNJQNYPGVPF-UHFFFAOYSA-N -1 1 361.320 2.106 20 0 FEADMM O=C(c1sc2cc(F)ccc2c1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089102 673353430 /nfs/dbraw/zinc/35/34/30/673353430.db2.gz BKVPJNIPODLVQS-VIFPVBQESA-N -1 1 367.793 2.421 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1ccc(F)cc1 ZINC000613517691 676132425 /nfs/dbraw/zinc/13/24/25/676132425.db2.gz ABVSNUPDEMVMTQ-HNNXBMFYSA-N -1 1 351.305 2.021 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Br)s1)C(F)(F)F ZINC000536336557 673367543 /nfs/dbraw/zinc/36/75/43/673367543.db2.gz JOUIVCGSZKZTAF-ZETCQYMHSA-N -1 1 368.196 2.102 20 0 FEADMM Cc1cc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)c(C)n1-c1nc[nH]n1 ZINC000537414562 673388313 /nfs/dbraw/zinc/38/83/13/673388313.db2.gz ORXALJPHIWQGIF-UHFFFAOYSA-N -1 1 358.427 2.300 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCn1cc[n-]c(=O)c1=O)C1CC1 ZINC000733136183 673399870 /nfs/dbraw/zinc/39/98/70/673399870.db2.gz QECHTRVGXPMBCR-LBPRGKRZSA-N -1 1 361.829 2.332 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)[C@@H](C)[C@@H]1OC ZINC000537750504 673405373 /nfs/dbraw/zinc/40/53/73/673405373.db2.gz UOSKDBDMRNDIRA-HONMWMINSA-N -1 1 359.444 2.184 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)C(F)(F)F ZINC000733322412 673409575 /nfs/dbraw/zinc/40/95/75/673409575.db2.gz UXZDQLBWSPWFKF-YFKPBYRVSA-N -1 1 368.196 2.366 20 0 FEADMM O=C(CSc1nccc2ccccc21)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539328356 673484029 /nfs/dbraw/zinc/48/40/29/673484029.db2.gz VPWHANCLCXKHMF-ZDUSSCGKSA-N -1 1 354.439 2.246 20 0 FEADMM CC(C)n1ccc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000735132927 673484962 /nfs/dbraw/zinc/48/49/62/673484962.db2.gz RZTYRHGUEDHCQI-UHFFFAOYSA-N -1 1 369.443 2.491 20 0 FEADMM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000597690667 673499377 /nfs/dbraw/zinc/49/93/77/673499377.db2.gz AKJZGDINCFEJPV-CYBMUJFWSA-N -1 1 362.455 2.222 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1csc2nccn12 ZINC000540247581 673531301 /nfs/dbraw/zinc/53/13/01/673531301.db2.gz LEIYTVDUAZRFLW-UHFFFAOYSA-N -1 1 368.415 2.088 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1CC(=O)[O-] ZINC000540290521 673532781 /nfs/dbraw/zinc/53/27/81/673532781.db2.gz HYLWQSHUFHBBBP-UHFFFAOYSA-N -1 1 371.798 2.482 20 0 FEADMM CCCC(=O)Nc1ccc(OS(=O)(=O)c2c[n-]cn2)c(C(C)=O)c1 ZINC000736625526 673534546 /nfs/dbraw/zinc/53/45/46/673534546.db2.gz PMNMCRHKIKYHIV-UHFFFAOYSA-N -1 1 351.384 2.119 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2OC)cc1CC(=O)[O-] ZINC000540337435 673534788 /nfs/dbraw/zinc/53/47/88/673534788.db2.gz AXKWEOLGAUSFNS-UHFFFAOYSA-N -1 1 369.370 2.271 20 0 FEADMM CCCn1c2ccccc2c2nnc(SCc3nc(=O)n(C)[n-]3)nc21 ZINC000541852707 673557651 /nfs/dbraw/zinc/55/76/51/673557651.db2.gz GYFIQMSIOQHMQD-UHFFFAOYSA-N -1 1 355.427 2.104 20 0 FEADMM CCOC(=O)C12CC(C1)CN2C(=O)c1cc(Br)ccc1[O-] ZINC000598445937 673571061 /nfs/dbraw/zinc/57/10/61/673571061.db2.gz LYJIFOLELKZNRM-UHFFFAOYSA-N -1 1 354.200 2.322 20 0 FEADMM O=C(CSc1ccc2ccccc2c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737947358 673590252 /nfs/dbraw/zinc/59/02/52/673590252.db2.gz MAVOYLXOHIVTSG-HNNXBMFYSA-N -1 1 355.423 2.045 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC)c1F ZINC000599244267 673647527 /nfs/dbraw/zinc/64/75/27/673647527.db2.gz YSXSAOOSGZEWCD-VIFPVBQESA-N -1 1 365.398 2.233 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)o1 ZINC000599376197 673666058 /nfs/dbraw/zinc/66/60/58/673666058.db2.gz ROLZNKYRZDQOME-BYCMXARLSA-N -1 1 367.810 2.336 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000599376475 673666132 /nfs/dbraw/zinc/66/61/32/673666132.db2.gz VBQDPBHEOAUGKE-VHDGCEQUSA-N -1 1 367.810 2.336 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000614313490 676169096 /nfs/dbraw/zinc/16/90/96/676169096.db2.gz RURCUMWMXFQQRP-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2CCCCS2)ccc1[N-]S(C)(=O)=O ZINC000544251087 673700484 /nfs/dbraw/zinc/70/04/84/673700484.db2.gz SGZOZYDYYYEZOE-LBPRGKRZSA-N -1 1 373.500 2.474 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N(Cc1cccs1)Cc1cccs1 ZINC000544684457 673726402 /nfs/dbraw/zinc/72/64/02/673726402.db2.gz FJVOFIRYEXNKPN-UHFFFAOYSA-N -1 1 371.447 2.383 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000544941323 673740942 /nfs/dbraw/zinc/74/09/42/673740942.db2.gz WRLOUOGVNZZXDJ-BLLLJJGKSA-N -1 1 366.483 2.269 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3c(F)cccc3F)no2)o1 ZINC000545027970 673743166 /nfs/dbraw/zinc/74/31/66/673743166.db2.gz IJZVWNRZUPIULF-UHFFFAOYSA-N -1 1 355.322 2.107 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000545233050 673753730 /nfs/dbraw/zinc/75/37/30/673753730.db2.gz OKHYNCNBDXGPOS-NXEZZACHSA-N -1 1 351.332 2.306 20 0 FEADMM COC(=O)[C@H](CC(C)C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000744157751 673784808 /nfs/dbraw/zinc/78/48/08/673784808.db2.gz BMEXXXATIHICCE-LBPRGKRZSA-N -1 1 356.444 2.276 20 0 FEADMM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1cc(=O)n2[n-]cnc2n1 ZINC000545994529 673786105 /nfs/dbraw/zinc/78/61/05/673786105.db2.gz YEULXIUHDWQKRQ-UHFFFAOYSA-N -1 1 364.192 2.144 20 0 FEADMM CCCc1nc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)co1 ZINC000546770350 673817258 /nfs/dbraw/zinc/81/72/58/673817258.db2.gz APTIWLSLYWHVGM-UHFFFAOYSA-N -1 1 353.400 2.260 20 0 FEADMM COc1cccc(Cc2noc(C[N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000546976720 673830647 /nfs/dbraw/zinc/83/06/47/673830647.db2.gz PJJGFIWQXXFGTD-UHFFFAOYSA-N -1 1 365.436 2.209 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC1(F)F)c1cc(C)cc(C)c1 ZINC000601394859 673854828 /nfs/dbraw/zinc/85/48/28/673854828.db2.gz XRPCSNMFEFSPLZ-KBPBESRZSA-N -1 1 361.410 2.482 20 0 FEADMM CC(C)OC[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCO1 ZINC000548114017 673924671 /nfs/dbraw/zinc/92/46/71/673924671.db2.gz KGGMRFMXCAFWKR-LBPRGKRZSA-N -1 1 358.232 2.421 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC1N=NC(=S)N1C(C)C ZINC000747385894 673925752 /nfs/dbraw/zinc/92/57/52/673925752.db2.gz GZOOMQWDKDYXJQ-UHFFFAOYSA-N -1 1 364.475 2.048 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc2cc(F)ccc2n1C ZINC000747386623 673925789 /nfs/dbraw/zinc/92/57/89/673925789.db2.gz OBZAGKZUBPNYIE-UHFFFAOYSA-N -1 1 361.402 2.168 20 0 FEADMM Cn1nccc1S(=O)(=O)Nc1cc(F)c(NC(C)(C)C)cc1C(=O)[O-] ZINC000548225845 673937876 /nfs/dbraw/zinc/93/78/76/673937876.db2.gz QBMBLAZAGMXZQV-UHFFFAOYSA-N -1 1 370.406 2.269 20 0 FEADMM C[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)[C@H](C)C(=O)[O-] ZINC000566662912 675232577 /nfs/dbraw/zinc/23/25/77/675232577.db2.gz SEJOTNPRCOJUAK-WDSKDSINSA-N -1 1 372.187 2.115 20 0 FEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)CCc2cccs2)c1OC ZINC000567435595 675292773 /nfs/dbraw/zinc/29/27/73/675292773.db2.gz PPUAMGGSAULSDQ-UHFFFAOYSA-N -1 1 371.436 2.448 20 0 FEADMM CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)c1ccccc1Cl ZINC000567732633 675317592 /nfs/dbraw/zinc/31/75/92/675317592.db2.gz JHWRCXDLIXPQMP-OWCLPIDISA-N -1 1 368.861 2.471 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)c2ccccc2)c(F)c1 ZINC000819878267 675318269 /nfs/dbraw/zinc/31/82/69/675318269.db2.gz MLSBODJJKAMVMT-XJKSGUPXSA-N -1 1 371.405 2.036 20 0 FEADMM Cc1cccc(S(=O)(=O)CCCN(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000568521131 675380653 /nfs/dbraw/zinc/38/06/53/675380653.db2.gz SAIQTGDCPBPBKG-MRXNPFEDSA-N -1 1 369.483 2.115 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]CCSCc1ccccc1F ZINC000820779045 675387126 /nfs/dbraw/zinc/38/71/26/675387126.db2.gz AXIMJQFYIXAULH-UHFFFAOYSA-N -1 1 366.505 2.155 20 0 FEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1c(F)cccc1F ZINC000568744188 675397030 /nfs/dbraw/zinc/39/70/30/675397030.db2.gz ITOCTNZDROKYQN-ZDUSSCGKSA-N -1 1 359.325 2.078 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)N2CCCCCC2)c1 ZINC000821357662 675429779 /nfs/dbraw/zinc/42/97/79/675429779.db2.gz ACNKYRSOWDIRJX-DLUDVSRJSA-N -1 1 367.467 2.137 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000821360641 675430056 /nfs/dbraw/zinc/43/00/56/675430056.db2.gz WDTPETNCDIHLCE-SHZVTRLKSA-N -1 1 367.467 2.183 20 0 FEADMM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc2[nH]cnc2cc1F ZINC000821619590 675443701 /nfs/dbraw/zinc/44/37/01/675443701.db2.gz DRPDEULQDQFCBN-UHFFFAOYSA-N -1 1 353.762 2.474 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000821626737 675444076 /nfs/dbraw/zinc/44/40/76/675444076.db2.gz YAAGCUBMKUOZLZ-UHFFFAOYSA-N -1 1 351.334 2.268 20 0 FEADMM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823082869 675528216 /nfs/dbraw/zinc/52/82/16/675528216.db2.gz UUQYJHXIHSEQFG-UHFFFAOYSA-N -1 1 370.316 2.403 20 0 FEADMM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823082869 675528218 /nfs/dbraw/zinc/52/82/18/675528218.db2.gz UUQYJHXIHSEQFG-UHFFFAOYSA-N -1 1 370.316 2.403 20 0 FEADMM O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)s1 ZINC000823445516 675553173 /nfs/dbraw/zinc/55/31/73/675553173.db2.gz ZFTLQYGTNHHHHI-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)s1 ZINC000823445516 675553174 /nfs/dbraw/zinc/55/31/74/675553174.db2.gz ZFTLQYGTNHHHHI-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM CCN1CCc2nc(NC(=O)c3ccc4n[n-]c(=S)n4c3)sc2C1 ZINC000824125917 675585028 /nfs/dbraw/zinc/58/50/28/675585028.db2.gz QBGUFNQYDBHRHX-UHFFFAOYSA-N -1 1 360.468 2.105 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C2CCC2)c1 ZINC000824346713 675596760 /nfs/dbraw/zinc/59/67/60/675596760.db2.gz WBAVVAXVBSEFHF-ZWNOBZJWSA-N -1 1 358.364 2.280 20 0 FEADMM CS[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC000826226006 675684535 /nfs/dbraw/zinc/68/45/35/675684535.db2.gz QAKOTUSUCNGVLQ-NSHDSACASA-N -1 1 373.479 2.062 20 0 FEADMM CS[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC000826226006 675684537 /nfs/dbraw/zinc/68/45/37/675684537.db2.gz QAKOTUSUCNGVLQ-NSHDSACASA-N -1 1 373.479 2.062 20 0 FEADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1Cl ZINC000826502528 675689578 /nfs/dbraw/zinc/68/95/78/675689578.db2.gz FLUPWCUNYIVPCX-LLVKDONJSA-N -1 1 352.185 2.109 20 0 FEADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1Cl ZINC000826502528 675689580 /nfs/dbraw/zinc/68/95/80/675689580.db2.gz FLUPWCUNYIVPCX-LLVKDONJSA-N -1 1 352.185 2.109 20 0 FEADMM C[C@@H]1CCN(c2nnc(C3CCCC3)n2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000828318715 675812813 /nfs/dbraw/zinc/81/28/13/675812813.db2.gz BJHPAJKEIJRBLA-PWSUYJOCSA-N -1 1 359.396 2.366 20 0 FEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000607614389 675870679 /nfs/dbraw/zinc/87/06/79/675870679.db2.gz FKKUTJVWNXLBMD-UHFFFAOYSA-N -1 1 359.329 2.073 20 0 FEADMM Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000607622229 675871170 /nfs/dbraw/zinc/87/11/70/675871170.db2.gz YIZGAOCCVRJNOA-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3c(O)cccc3F)cc2o1 ZINC000608342193 675889124 /nfs/dbraw/zinc/88/91/24/675889124.db2.gz VRBPNEVDFAIGJI-UHFFFAOYSA-N -1 1 358.734 2.420 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)Sc2ccccc2Cl)n[n-]1 ZINC000615919995 676233949 /nfs/dbraw/zinc/23/39/49/676233949.db2.gz LHVYVPZEHDICPI-SECBINFHSA-N -1 1 368.846 2.432 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)Sc2ccccc2Cl)n1 ZINC000615919995 676233953 /nfs/dbraw/zinc/23/39/53/676233953.db2.gz LHVYVPZEHDICPI-SECBINFHSA-N -1 1 368.846 2.432 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1ccccc1F ZINC000615939216 676234295 /nfs/dbraw/zinc/23/42/95/676234295.db2.gz DOSDHVOSAFOMAC-INIZCTEOSA-N -1 1 366.414 2.084 20 0 FEADMM CSC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC1 ZINC000618855880 676355024 /nfs/dbraw/zinc/35/50/24/676355024.db2.gz QHFNRDNPWUYBLE-UHFFFAOYSA-N -1 1 370.496 2.401 20 0 FEADMM CCC[C@H](C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)OCC ZINC000619012554 676360252 /nfs/dbraw/zinc/36/02/52/676360252.db2.gz PZBYAONHRZACAV-SNVBAGLBSA-N -1 1 365.398 2.231 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(OC)c3)CCC2)o1 ZINC000620349453 676414536 /nfs/dbraw/zinc/41/45/36/676414536.db2.gz SDTCZKGCTPFXHD-UHFFFAOYSA-N -1 1 364.423 2.006 20 0 FEADMM CCOc1ccc([C@@H](C)NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000677297856 679674747 /nfs/dbraw/zinc/67/47/47/679674747.db2.gz RDKRKQFDDFMVSB-LLVKDONJSA-N -1 1 352.412 2.077 20 0 FEADMM COc1ccc(SCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611845 676502899 /nfs/dbraw/zinc/50/28/99/676502899.db2.gz LVDZNMIMWWIHIW-INIZCTEOSA-N -1 1 355.423 2.206 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000622612372 676502944 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O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1cc(Cl)c(Br)cc1F ZINC000625568748 676657760 /nfs/dbraw/zinc/65/77/60/676657760.db2.gz SRKBHMPEZSPMGH-KNVOCYPGSA-N -1 1 372.643 2.291 20 0 FEADMM CCC[C@@H](OCC)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000626472784 676707569 /nfs/dbraw/zinc/70/75/69/676707569.db2.gz LMBGQFJYGFMIDM-CHWSQXEVSA-N -1 1 355.801 2.403 20 0 FEADMM CS(=O)(=O)c1ccc2[nH]c(-c3[nH]nc4cc(C(=O)[O-])ccc43)nc2c1 ZINC000677951456 679705656 /nfs/dbraw/zinc/70/56/56/679705656.db2.gz OTWJCKJAPFGCJQ-UHFFFAOYSA-N -1 1 356.363 2.208 20 0 FEADMM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233800 676795285 /nfs/dbraw/zinc/79/52/85/676795285.db2.gz VTQIOSVDLNUANW-VIFPVBQESA-N -1 1 356.831 2.465 20 0 FEADMM CCc1nn(C)cc1[N-]S(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000629292084 676841647 /nfs/dbraw/zinc/84/16/47/676841647.db2.gz YOGPULBEAOHYED-AWEZNQCLSA-N -1 1 355.435 2.121 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)CCOCC1 ZINC000629293536 676841965 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CSc1nc(CNC(=O)c2ccnc(OCC(F)(F)F)c2)cc(=O)[n-]1 ZINC000640657419 677185410 /nfs/dbraw/zinc/18/54/10/677185410.db2.gz DSMQMAOKNOFOGT-UHFFFAOYSA-N -1 1 374.344 2.170 20 0 FEADMM COCCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(SC)n2)cc1 ZINC000640659543 677185511 /nfs/dbraw/zinc/18/55/11/677185511.db2.gz YRPOHCHWDVCODV-UHFFFAOYSA-N -1 1 363.439 2.249 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1COc2ccccc2O1)c1ccc(C)o1 ZINC000641366347 677203055 /nfs/dbraw/zinc/20/30/55/677203055.db2.gz XDRQOWRYYJQMHY-UONOGXRCSA-N -1 1 367.423 2.035 20 0 FEADMM COc1cc(S(=O)(=O)[N-][C@H](C)C(F)F)c(OC)cc1Br ZINC000641701707 677214486 /nfs/dbraw/zinc/21/44/86/677214486.db2.gz JDFRPDRDSFUSKY-ZCFIWIBFSA-N -1 1 374.203 2.398 20 0 FEADMM CCOc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc(Cl)c1[O-] ZINC000641981557 677217634 /nfs/dbraw/zinc/21/76/34/677217634.db2.gz SPODCFXPXUIQQU-AWEZNQCLSA-N -1 1 368.861 2.381 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2noc(C(F)F)n2)c(=O)[n-]1 ZINC000644772516 677249241 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CCn1cc(Cl)c([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1 ZINC000901714911 690683402 /nfs/dbraw/zinc/68/34/02/690683402.db2.gz FKFMNDHKSUISTD-UHFFFAOYSA-N -1 1 370.818 2.314 20 0 FEADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cnn(C4CCC4)c3)cc2N1 ZINC000901851145 690702329 /nfs/dbraw/zinc/70/23/29/690702329.db2.gz SOLKSKGRPSXKCH-UHFFFAOYSA-N -1 1 364.402 2.433 20 0 FEADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000901920496 690714229 /nfs/dbraw/zinc/71/42/29/690714229.db2.gz JIUVSZHIPZVEEO-SMDDNHRTSA-N -1 1 366.215 2.171 20 0 FEADMM COc1ccccc1-c1[nH]nc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C ZINC000901985852 690726465 /nfs/dbraw/zinc/72/64/65/690726465.db2.gz GHHZYSYLFWNHBK-LBPRGKRZSA-N -1 1 351.428 2.314 20 0 FEADMM CO[C@H]1CCN(Cc2cc(Br)cc3c2OCC3)[C@@H](C(=O)[O-])C1 ZINC000902033284 690732938 /nfs/dbraw/zinc/73/29/38/690732938.db2.gz VJNNYBOJZXKMOG-UONOGXRCSA-N -1 1 370.243 2.448 20 0 FEADMM O=C([O-])Cn1cc(CNCCc2cc(Cl)cc(Br)c2)nn1 ZINC000902507517 690772329 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691459258 /nfs/dbraw/zinc/45/92/58/691459258.db2.gz KWNYVFVYPLRFOW-QMMMGPOBSA-N -1 1 356.199 2.285 20 0 FEADMM C[C@@H](CSCc1ccccc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907472747 691492250 /nfs/dbraw/zinc/49/22/50/691492250.db2.gz CESPNZLPJWLTPP-JSGCOSHPSA-N -1 1 363.512 2.386 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1C ZINC000907472990 691492933 /nfs/dbraw/zinc/49/29/33/691492933.db2.gz ARBUILQURRRZKW-AWEZNQCLSA-N -1 1 359.455 2.096 20 0 FEADMM O=C(CCc1cccc(C(F)(F)F)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478216 691496312 /nfs/dbraw/zinc/49/63/12/691496312.db2.gz HSDNKPPKJGRZHJ-LBPRGKRZSA-N -1 1 371.388 2.468 20 0 FEADMM Cc1c(Br)scc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480172 691496900 /nfs/dbraw/zinc/49/69/00/691496900.db2.gz RBVKLLOLDOOTBF-MRVPVSSYSA-N -1 1 374.289 2.262 20 0 FEADMM COc1ccc([C@@H]2C[C@H]2CC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907480798 691498037 /nfs/dbraw/zinc/49/80/37/691498037.db2.gz DJLJHSILCUCFDT-QEJZJMRPSA-N -1 1 359.455 2.019 20 0 FEADMM O=C(c1sc2ncccc2c1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907482315 691498109 /nfs/dbraw/zinc/49/81/09/691498109.db2.gz POQVDGGJZJDWHO-QMMMGPOBSA-N -1 1 366.859 2.393 20 0 FEADMM COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)[C@@H]2C1 ZINC000907685714 691539955 /nfs/dbraw/zinc/53/99/55/691539955.db2.gz YIQJWSRQMXZXHA-COMAGPEQSA-N -1 1 361.822 2.345 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)CC2)n1 ZINC000907865221 691573816 /nfs/dbraw/zinc/57/38/16/691573816.db2.gz PHKWQZLBAMOEDC-QMMMGPOBSA-N -1 1 369.830 2.322 20 0 FEADMM CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000907957344 691589391 /nfs/dbraw/zinc/58/93/91/691589391.db2.gz MTLLUWLONSBOMP-MNOVXSKESA-N -1 1 364.368 2.048 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)[n-]c1=O ZINC000908010837 691597915 /nfs/dbraw/zinc/59/79/15/691597915.db2.gz CPQFVZARPOTEDV-CQSZACIVSA-N -1 1 363.439 2.333 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)[n-]c1=O ZINC000908013311 691598422 /nfs/dbraw/zinc/59/84/22/691598422.db2.gz SQPRPRNVRQCKOK-SNVBAGLBSA-N -1 1 355.441 2.087 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)CCO2 ZINC000908019041 691600129 /nfs/dbraw/zinc/60/01/29/691600129.db2.gz SAVYXFLXUPKWMA-SJORKVTESA-N -1 1 372.487 2.467 20 0 FEADMM O=S(=O)([N-]C1CC(CCO)C1)c1cnc(Cl)cc1C(F)(F)F ZINC000908058501 691606435 /nfs/dbraw/zinc/60/64/35/691606435.db2.gz QMJSSCUHFPVLGR-UHFFFAOYSA-N -1 1 358.769 2.193 20 0 FEADMM Cn1cc([C@]2(C[N-]S(=O)(=O)c3sccc3Cl)CCCO2)cn1 ZINC000908109408 691615930 /nfs/dbraw/zinc/61/59/30/691615930.db2.gz PNTUDBALNHZWRD-CYBMUJFWSA-N -1 1 361.876 2.119 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C[C@H](C)[S@@]1=O ZINC000908143543 691624105 /nfs/dbraw/zinc/62/41/05/691624105.db2.gz BWIWOVBPCVFFAK-XNZGRGRPSA-N -1 1 350.415 2.451 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC12CCOCC2)c1cc2cc(F)ccc2o1 ZINC000908194601 691635494 /nfs/dbraw/zinc/63/54/94/691635494.db2.gz SBGBYUXDSZLKCZ-CQSZACIVSA-N -1 1 355.387 2.188 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000908298949 691654176 /nfs/dbraw/zinc/65/41/76/691654176.db2.gz ROQNKHCKXOTIBU-LBPRGKRZSA-N -1 1 365.455 2.437 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000908502165 691690844 /nfs/dbraw/zinc/69/08/44/691690844.db2.gz XURDGDVEAVNZIN-KBPBESRZSA-N -1 1 355.456 2.228 20 0 FEADMM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC000908721525 691718868 /nfs/dbraw/zinc/71/88/68/691718868.db2.gz ZYDVVHBWTZWINT-YPMHNXCESA-N -1 1 356.369 2.262 20 0 FEADMM O=C([O-])[C@H]1CSCCN1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000908744833 691721674 /nfs/dbraw/zinc/72/16/74/691721674.db2.gz WDTRVWTUDXOGRJ-UONOGXRCSA-N -1 1 367.471 2.018 20 0 FEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C1CCC1 ZINC000908753705 691723473 /nfs/dbraw/zinc/72/34/73/691723473.db2.gz NYKUSDYGASFPSG-LRDDRELGSA-N -1 1 351.422 2.466 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000908820992 691735475 /nfs/dbraw/zinc/73/54/75/691735475.db2.gz XNCHVOQEZXDXLV-CVEARBPZSA-N -1 1 351.422 2.467 20 0 FEADMM C[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1ccc(Cl)cc1 ZINC000908824065 691736187 /nfs/dbraw/zinc/73/61/87/691736187.db2.gz ARNPVIVEVDBVTJ-CHWSQXEVSA-N -1 1 354.834 2.020 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@]1(C(=O)[O-])CCSC1)c1ccc(Cl)cc1 ZINC000909122703 691781302 /nfs/dbraw/zinc/78/13/02/691781302.db2.gz NSEHGPYGCNJZOY-XJKSGUPXSA-N -1 1 371.890 2.202 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCSC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000909122674 691781372 /nfs/dbraw/zinc/78/13/72/691781372.db2.gz MSWVAQCPWDRWDH-UONOGXRCSA-N -1 1 371.890 2.154 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909123408 691781950 /nfs/dbraw/zinc/78/19/50/691781950.db2.gz VXEPFXQFMHFTSE-BBRMVZONSA-N -1 1 359.829 2.445 20 0 FEADMM O=C([O-])c1ccc(NC(=O)C2CCC(N3CCOCC3)CC2)cc1F ZINC000909297046 691804660 /nfs/dbraw/zinc/80/46/60/691804660.db2.gz TWJJVCLMZFNQDQ-UHFFFAOYSA-N -1 1 350.390 2.353 20 0 FEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)CN2CCOCC2)cc1 ZINC000909328298 691808519 /nfs/dbraw/zinc/80/85/19/691808519.db2.gz IHNDBXVRNDOBLD-CJNGLKHVSA-N -1 1 366.483 2.009 20 0 FEADMM C[C@H]1CN(C(=O)COC(=O)Cc2ccc([O-])c(Cl)c2)CC(C)(C)O1 ZINC000909468884 691825933 /nfs/dbraw/zinc/82/59/33/691825933.db2.gz WUZOYDWDUOLCBQ-NSHDSACASA-N -1 1 355.818 2.157 20 0 FEADMM Cc1cccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1Br ZINC000909729700 691849965 /nfs/dbraw/zinc/84/99/65/691849965.db2.gz VSUNOXWUKDCSFX-ZDUSSCGKSA-N -1 1 369.259 2.170 20 0 FEADMM COc1ccc([C@H](NC(=O)CN(C)[C@H]2CCSC2)C(=O)[O-])cc1Cl ZINC000909796523 691856446 /nfs/dbraw/zinc/85/64/46/691856446.db2.gz OSJINMFPINRIDN-NHYWBVRUSA-N -1 1 372.874 2.028 20 0 FEADMM O=C([O-])[C@@H]1CSCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000910145488 691894021 /nfs/dbraw/zinc/89/40/21/691894021.db2.gz SMOLPRLKFFRTBN-DLBZAZTESA-N -1 1 362.495 2.317 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCc2c[nH]c3c2cccc3Cl)C1 ZINC000910256505 691907229 /nfs/dbraw/zinc/90/72/29/691907229.db2.gz YKEHQPJPUNHLNV-CYBMUJFWSA-N -1 1 363.845 2.277 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2c[nH]c3c2cccc3Cl)C1 ZINC000910256506 691907314 /nfs/dbraw/zinc/90/73/14/691907314.db2.gz YKEHQPJPUNHLNV-ZDUSSCGKSA-N -1 1 363.845 2.277 20 0 FEADMM O=C([O-])[C@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1F ZINC001465114201 804140014 /nfs/dbraw/zinc/14/00/14/804140014.db2.gz DTRROPNVWWJJRG-JOYOIKCWSA-N -1 1 369.336 2.229 20 0 FEADMM O=C([O-])C1(NC(=O)NC2CCN(Cc3ccccn3)CC2)CCCCC1 ZINC000780434188 939120867 /nfs/dbraw/zinc/12/08/67/939120867.db2.gz IWGOVIXMCDTYIK-UHFFFAOYSA-N -1 1 360.458 2.133 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000780559749 939132673 /nfs/dbraw/zinc/13/26/73/939132673.db2.gz KPGXNWAXEAVVGL-HNNXBMFYSA-N -1 1 369.356 2.236 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000780559749 939132674 /nfs/dbraw/zinc/13/26/74/939132674.db2.gz KPGXNWAXEAVVGL-HNNXBMFYSA-N -1 1 369.356 2.236 20 0 FEADMM C[C@@H](CN1CCOCC1)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909528047 939402385 /nfs/dbraw/zinc/40/23/85/939402385.db2.gz LXXCLHJOAQWUKZ-KSSFIOAISA-N -1 1 356.422 2.050 20 0 FEADMM CCc1ncoc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263630127 939828784 /nfs/dbraw/zinc/82/87/84/939828784.db2.gz BIEWXVLFSHHETK-LJQANCHMSA-N -1 1 357.410 2.086 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H](C(=O)[O-])C3CC3)cc2)C[C@@H](C)O1 ZINC000663104543 939855242 /nfs/dbraw/zinc/85/52/42/939855242.db2.gz LXMMQQYFBUWRSS-HBUWYVDXSA-N -1 1 360.454 2.023 20 0 FEADMM O=C(NCCc1nccs1)c1ccc(I)c([O-])c1 ZINC000230891208 548761927 /nfs/dbraw/zinc/76/19/27/548761927.db2.gz FDYIDDRIJNFGCB-UHFFFAOYSA-N -1 1 374.203 2.426 20 0 FEADMM COc1cc(NC(=O)[C@H]2CCCC[C@@H]2OC)ccc1[N-]S(C)(=O)=O ZINC000549318014 674033255 /nfs/dbraw/zinc/03/32/55/674033255.db2.gz RESJBGNPOQJGFA-JSGCOSHPSA-N -1 1 356.444 2.210 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ncc[nH]1 ZINC000549757421 674061543 /nfs/dbraw/zinc/06/15/43/674061543.db2.gz CEOYCQMCNWVRFO-CYBMUJFWSA-N -1 1 368.459 2.207 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000012648207 539568794 /nfs/dbraw/zinc/56/87/94/539568794.db2.gz LPAXFVNWTFGVAT-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1csc(=NC2CC2)[n-]1 ZINC000524853086 539664888 /nfs/dbraw/zinc/66/48/88/539664888.db2.gz MGOIZILJYWCEEW-HNNXBMFYSA-N -1 1 370.478 2.337 20 0 FEADMM C[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)n1cncn1 ZINC000024576475 539734941 /nfs/dbraw/zinc/73/49/41/539734941.db2.gz YOWZIARLIRPYEZ-ZDUSSCGKSA-N -1 1 371.422 2.279 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c1Cl ZINC000027968394 539821561 /nfs/dbraw/zinc/82/15/61/539821561.db2.gz NMMDRIOBNYZWMN-UHFFFAOYSA-N -1 1 351.762 2.153 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C ZINC000028249630 539828821 /nfs/dbraw/zinc/82/88/21/539828821.db2.gz LGMDFXINXOHUDJ-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000029323355 539850479 /nfs/dbraw/zinc/85/04/79/539850479.db2.gz QHPXMQCRGGUTPW-UHFFFAOYSA-N -1 1 374.422 2.105 20 0 FEADMM C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029914697 539868357 /nfs/dbraw/zinc/86/83/57/539868357.db2.gz HCNIVQSGEQEJES-CQSZACIVSA-N -1 1 360.435 2.348 20 0 FEADMM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1cccc(F)c1F ZINC000549989757 674077588 /nfs/dbraw/zinc/07/75/88/674077588.db2.gz FXQSWVHBQGDYAF-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(N)=O ZINC000032081665 539928163 /nfs/dbraw/zinc/92/81/63/539928163.db2.gz LFSOQJFMPPLPRD-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1C ZINC000032595865 539944167 /nfs/dbraw/zinc/94/41/67/539944167.db2.gz UVCBJWBHNGAAPY-UHFFFAOYSA-N -1 1 370.452 2.176 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C ZINC000032631904 539946013 /nfs/dbraw/zinc/94/60/13/539946013.db2.gz OSHHFLKZTZQOEN-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM O=C(NC[C@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000041371380 540018426 /nfs/dbraw/zinc/01/84/26/540018426.db2.gz DBBINUYLCCDWTG-CQSZACIVSA-N -1 1 360.435 2.254 20 0 FEADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1F ZINC000044260255 540121742 /nfs/dbraw/zinc/12/17/42/540121742.db2.gz RGRPFBWWLRFAIB-UHFFFAOYSA-N -1 1 372.399 2.433 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)o1 ZINC000046491013 540259625 /nfs/dbraw/zinc/25/96/25/540259625.db2.gz PNBDKLYQMCCERX-OLZOCXBDSA-N -1 1 370.471 2.140 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1N(C)C ZINC000047328349 540303742 /nfs/dbraw/zinc/30/37/42/540303742.db2.gz MIQZHQXHOQGTJF-UHFFFAOYSA-N -1 1 363.421 2.388 20 0 FEADMM CN(Cc1ccc(O)cc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000052963727 540503372 /nfs/dbraw/zinc/50/33/72/540503372.db2.gz BOVALRVKGLUEPC-UHFFFAOYSA-N -1 1 366.439 2.334 20 0 FEADMM CCOc1ncccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000054367027 540586124 /nfs/dbraw/zinc/58/61/24/540586124.db2.gz FXPZEJQSXOAIGF-UHFFFAOYSA-N -1 1 365.393 2.115 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1S(N)(=O)=O ZINC000055571047 540659844 /nfs/dbraw/zinc/65/98/44/540659844.db2.gz JNFMTOGSBGHVHV-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CCNC(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000056066159 540698492 /nfs/dbraw/zinc/69/84/92/540698492.db2.gz ZPYQDIQGQUCSPC-UHFFFAOYSA-N -1 1 354.378 2.193 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)CCc1ccccc1 ZINC000056737956 540741707 /nfs/dbraw/zinc/74/17/07/540741707.db2.gz SWYSFBGHLZXKHW-UHFFFAOYSA-N -1 1 362.433 2.384 20 0 FEADMM Cc1noc([N-]C(=O)c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000056912961 540755331 /nfs/dbraw/zinc/75/53/31/540755331.db2.gz JHNPCYGFRPCEML-UHFFFAOYSA-N -1 1 363.175 2.282 20 0 FEADMM CCOc1ncccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000057083711 540767880 /nfs/dbraw/zinc/76/78/80/540767880.db2.gz BUKASHMVKALSRP-UHFFFAOYSA-N -1 1 365.393 2.115 20 0 FEADMM C[C@@H](CN1CCCC1=O)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057016119 540762796 /nfs/dbraw/zinc/76/27/96/540762796.db2.gz SYPFBXRYQUOXNA-AWEZNQCLSA-N -1 1 373.453 2.007 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1 ZINC000057115597 540768997 /nfs/dbraw/zinc/76/89/97/540768997.db2.gz JNQGQWOAKHFPIS-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM CCn1cc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cn1 ZINC000060360568 541107415 /nfs/dbraw/zinc/10/74/15/541107415.db2.gz WYXXFEPLZPIWKP-UHFFFAOYSA-N -1 1 367.427 2.256 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000063927090 541191371 /nfs/dbraw/zinc/19/13/71/541191371.db2.gz QAZAWXGPTWICIX-UHFFFAOYSA-N -1 1 351.399 2.354 20 0 FEADMM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(CC2CC2)CC1 ZINC000063779460 541185160 /nfs/dbraw/zinc/18/51/60/541185160.db2.gz PLXMSZLPIOAQHB-UHFFFAOYSA-N -1 1 372.494 2.003 20 0 FEADMM COc1ccccc1N(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000065160372 541228138 /nfs/dbraw/zinc/22/81/38/541228138.db2.gz DPMABMFJXKKTTK-UHFFFAOYSA-N -1 1 364.405 2.354 20 0 FEADMM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000066348035 541305394 /nfs/dbraw/zinc/30/53/94/541305394.db2.gz HTHWEUXSPHEFOB-CYBMUJFWSA-N -1 1 366.396 2.319 20 0 FEADMM CCn1c(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)n[n-]c1=S ZINC000066637058 541351289 /nfs/dbraw/zinc/35/12/89/541351289.db2.gz MCIOOHVQDYGJJX-INIZCTEOSA-N -1 1 373.482 2.331 20 0 FEADMM CC(=O)NC(=Cc1ccccc1)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067071984 541414127 /nfs/dbraw/zinc/41/41/27/541414127.db2.gz DEEQADGXZPOXGS-NTEUORMPSA-N -1 1 359.455 2.315 20 0 FEADMM Cc1[nH]c(=S)sc1CC(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074087 541414177 /nfs/dbraw/zinc/41/41/77/541414177.db2.gz RZPZQMXHZSXXIK-UHFFFAOYSA-N -1 1 357.530 2.477 20 0 FEADMM CCn1c(CCNC(=O)CCOc2ccc(OC)cc2)n[n-]c1=S ZINC000067075604 541414626 /nfs/dbraw/zinc/41/46/26/541414626.db2.gz KYMGTCIRBXGHEF-UHFFFAOYSA-N -1 1 350.444 2.097 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@@H]2CC(c3ccccc3)=NO2)n[n-]c1=S ZINC000067074695 541414740 /nfs/dbraw/zinc/41/47/40/541414740.db2.gz OXUNYYLXWZKAAW-AWEZNQCLSA-N -1 1 359.455 2.373 20 0 FEADMM CCn1c(CCNC(=O)c2cccnc2N2CCCCC2)n[n-]c1=S ZINC000067078237 541415076 /nfs/dbraw/zinc/41/50/76/541415076.db2.gz YHBLTPWBRIURSR-UHFFFAOYSA-N -1 1 360.487 2.318 20 0 FEADMM Cc1n[nH]cc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000068239001 541567179 /nfs/dbraw/zinc/56/71/79/541567179.db2.gz NXBPIUBSRYLTRT-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000068452183 541594247 /nfs/dbraw/zinc/59/42/47/541594247.db2.gz FPOSYUAHJSIWLX-UHFFFAOYSA-N -1 1 371.470 2.332 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2OC)o1 ZINC000068807706 541631332 /nfs/dbraw/zinc/63/13/32/541631332.db2.gz NJWNTWSKGPYCPM-ZDUSSCGKSA-N -1 1 364.423 2.174 20 0 FEADMM COc1cnc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)nc1 ZINC000550808770 674111733 /nfs/dbraw/zinc/11/17/33/674111733.db2.gz JROMKWLBOGLGPL-UHFFFAOYSA-N -1 1 355.423 2.915 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000068935357 541642270 /nfs/dbraw/zinc/64/22/70/541642270.db2.gz ZWDFGZJFRHBSQX-OAHLLOKOSA-N -1 1 360.435 2.480 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCN1c1ccccc1 ZINC000068941664 541643035 /nfs/dbraw/zinc/64/30/35/541643035.db2.gz YSOWMILUEQVUGV-ZDUSSCGKSA-N -1 1 352.362 2.049 20 0 FEADMM CC(C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000069223580 541669689 /nfs/dbraw/zinc/66/96/89/541669689.db2.gz LKMDOIZWTSWLGW-ZDUSSCGKSA-N -1 1 353.382 2.311 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)o1 ZINC000069789341 541713836 /nfs/dbraw/zinc/71/38/36/541713836.db2.gz WKAGQBWCSWXZIT-UHFFFAOYSA-N -1 1 354.815 2.260 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000070953603 541754870 /nfs/dbraw/zinc/75/48/70/541754870.db2.gz INQRYOCQFIUKGC-UHFFFAOYSA-N -1 1 373.434 2.122 20 0 FEADMM O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374725 674124684 /nfs/dbraw/zinc/12/46/84/674124684.db2.gz RPJVOXGOJNGPSL-GFCCVEGCSA-N -1 1 362.769 2.484 20 0 FEADMM CCCNC(=O)[C@H](C)OC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361229 674124378 /nfs/dbraw/zinc/12/43/78/674124378.db2.gz FETXMOBKXPBPLM-JTQLQIEISA-N -1 1 351.790 2.303 20 0 FEADMM CCC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000063091502 205293242 /nfs/dbraw/zinc/29/32/42/205293242.db2.gz FUSSSRMZKYWELF-KRWDZBQOSA-N -1 1 372.465 2.462 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1 ZINC000073743737 541994977 /nfs/dbraw/zinc/99/49/77/541994977.db2.gz UPKZGFZFKAUJGM-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM O=C(NCc1ccccc1Cn1cccn1)c1nc2ccccc2c(=O)[n-]1 ZINC000074273163 542062439 /nfs/dbraw/zinc/06/24/39/542062439.db2.gz MFIBUZDDLLCOGB-UHFFFAOYSA-N -1 1 359.389 2.098 20 0 FEADMM COc1cccc(O[C@H](C)CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000075504222 542183178 /nfs/dbraw/zinc/18/31/78/542183178.db2.gz PTPIFFTYZXFEGL-GFCCVEGCSA-N -1 1 353.378 2.129 20 0 FEADMM CCN1C(=S)N=NC1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000801616744 674140446 /nfs/dbraw/zinc/14/04/46/674140446.db2.gz WKGTUHLMLJAIIU-UHFFFAOYSA-N -1 1 363.830 2.424 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000076466011 542282793 /nfs/dbraw/zinc/28/27/93/542282793.db2.gz OKEZCQFUYRMHIU-GOSISDBHSA-N -1 1 364.449 2.319 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)CCc3nc(-c4ccsc4)no3)ccnc1-2 ZINC000801703772 674144516 /nfs/dbraw/zinc/14/45/16/674144516.db2.gz QOKJAECWNPJXII-UHFFFAOYSA-N -1 1 354.395 2.025 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(Br)cc1F ZINC000605381829 675812144 /nfs/dbraw/zinc/81/21/44/675812144.db2.gz ZOIOWKAHJAKZQN-UHFFFAOYSA-N -1 1 354.183 2.301 20 0 FEADMM Cc1noc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000078964678 542490410 /nfs/dbraw/zinc/49/04/10/542490410.db2.gz PYFMOQCRKDBYNF-UHFFFAOYSA-N -1 1 358.379 2.431 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc12 ZINC000093909454 542944811 /nfs/dbraw/zinc/94/48/11/542944811.db2.gz RYXUQXCKZGECBF-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)CO)c1 ZINC000097202890 543007086 /nfs/dbraw/zinc/00/70/86/543007086.db2.gz IFRCEXYTEITJSB-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)O)cc2)cc1C ZINC000098078130 543020272 /nfs/dbraw/zinc/02/02/72/543020272.db2.gz CQGSXXJFPNMZIJ-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCO1)c1cc(Br)c(F)cc1F ZINC000103151505 543095194 /nfs/dbraw/zinc/09/51/94/543095194.db2.gz NUOVUQOBJLILBK-ZETCQYMHSA-N -1 1 356.188 2.185 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)cc1 ZINC000103943192 543119206 /nfs/dbraw/zinc/11/92/06/543119206.db2.gz SAKBLPLECJLVGH-CYBMUJFWSA-N -1 1 362.451 2.160 20 0 FEADMM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105618576 543178447 /nfs/dbraw/zinc/17/84/47/543178447.db2.gz DPQCWYIEYXAQFS-UHFFFAOYSA-N -1 1 372.368 2.041 20 0 FEADMM CCCOC(=O)CCNC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000106836148 543249494 /nfs/dbraw/zinc/24/94/94/543249494.db2.gz SALSLGWQMXXVQP-UHFFFAOYSA-N -1 1 354.457 2.129 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)NCc1ccc(OCC2CC2)nc1 ZINC000109843245 543342032 /nfs/dbraw/zinc/34/20/32/543342032.db2.gz IKZUIRLEEBUBPP-UHFFFAOYSA-N -1 1 361.471 2.393 20 0 FEADMM CC[C@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C[C@@H](C)O1 ZINC000111025843 543379273 /nfs/dbraw/zinc/37/92/73/543379273.db2.gz SSXSYVVSYCNPGG-CJNGLKHVSA-N -1 1 370.453 2.099 20 0 FEADMM O=C(c1cncc([O-])c1)N(CCO)Cc1cc(Br)ccc1F ZINC000111591082 543408051 /nfs/dbraw/zinc/40/80/51/543408051.db2.gz PYCZSYFVVSEFDH-UHFFFAOYSA-N -1 1 369.190 2.324 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(c2ccccc2)CCC1 ZINC000114156387 543505526 /nfs/dbraw/zinc/50/55/26/543505526.db2.gz XMPVLMDGJNXKGV-UHFFFAOYSA-N -1 1 350.422 2.378 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000115170925 543554136 /nfs/dbraw/zinc/55/41/36/543554136.db2.gz NKZMQLXZVBLJRY-SFHVURJKSA-N -1 1 363.417 2.435 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)c1Cl ZINC000115582849 543575552 /nfs/dbraw/zinc/57/55/52/543575552.db2.gz RMIXIZUAZAQUBD-LBPRGKRZSA-N -1 1 354.863 2.021 20 0 FEADMM CN(CC(=O)Nc1ccccc1Br)C(=O)c1ncccc1[O-] ZINC000122434210 543707286 /nfs/dbraw/zinc/70/72/86/543707286.db2.gz QDFYIJANBMQCJW-UHFFFAOYSA-N -1 1 364.199 2.260 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nn[n-]n1 ZINC000124395198 543818858 /nfs/dbraw/zinc/81/88/58/543818858.db2.gz WHTGFBUJBSXZIZ-SECBINFHSA-N -1 1 373.398 2.107 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccnc1Nc1ccccc1F)c1nn[n-]n1 ZINC000124441077 543821538 /nfs/dbraw/zinc/82/15/38/543821538.db2.gz VMPWYLFUBHWJPD-NSHDSACASA-N -1 1 355.377 2.353 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1cc(F)ccc1Br)c1nn[n-]n1 ZINC000124587977 543831308 /nfs/dbraw/zinc/83/13/08/543831308.db2.gz WEZLCHUPHVIPDL-SECBINFHSA-N -1 1 370.226 2.296 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000125927265 543908960 /nfs/dbraw/zinc/90/89/60/543908960.db2.gz YRORLZNELLEEDU-QGZVFWFLSA-N -1 1 364.449 2.273 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(=O)[n-]1 ZINC000126183730 543922093 /nfs/dbraw/zinc/92/20/93/543922093.db2.gz QFALTGURSWVPFS-PVAVHDDUSA-N -1 1 355.463 2.187 20 0 FEADMM Cc1cc(C)c(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)c(Cl)c1 ZINC000127169871 543976970 /nfs/dbraw/zinc/97/69/70/543976970.db2.gz WIVBJLMHQPICBZ-UHFFFAOYSA-N -1 1 368.846 2.365 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127435145 543992972 /nfs/dbraw/zinc/99/29/72/543992972.db2.gz BOXOSVVLQKSACI-KGLIPLIRSA-N -1 1 353.488 2.003 20 0 FEADMM O=S(=O)(CCCF)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000128301964 544044692 /nfs/dbraw/zinc/04/46/92/544044692.db2.gz OZFPZUJZKZKSAK-LLVKDONJSA-N -1 1 366.340 2.192 20 0 FEADMM COc1ccc(Cl)cc1NCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129329196 544105008 /nfs/dbraw/zinc/10/50/08/544105008.db2.gz KEKXIMNQHFFXFG-NSHDSACASA-N -1 1 364.837 2.070 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)o1 ZINC000129500475 544115825 /nfs/dbraw/zinc/11/58/25/544115825.db2.gz FMTUFGNZTYLVTE-UHFFFAOYSA-N -1 1 351.428 2.123 20 0 FEADMM C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000129504869 544115835 /nfs/dbraw/zinc/11/58/35/544115835.db2.gz WKNLJOYBMSKCMG-RYUDHWBXSA-N -1 1 374.466 2.212 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc(C)c1OC(F)F ZINC000129534477 544117113 /nfs/dbraw/zinc/11/71/13/544117113.db2.gz NFWLMAVBBHZHJR-NSHDSACASA-N -1 1 351.357 2.438 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cccc(-n2cnnn2)c1 ZINC000132823247 544244809 /nfs/dbraw/zinc/24/48/09/544244809.db2.gz RNPJSSJHUTWETP-UHFFFAOYSA-N -1 1 368.378 2.118 20 0 FEADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000132935330 544248877 /nfs/dbraw/zinc/24/88/77/544248877.db2.gz YXRPZZWAXTWKCS-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1C ZINC000132953209 544249657 /nfs/dbraw/zinc/24/96/57/544249657.db2.gz FIWGPCHKSAGYSO-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000135904906 544363158 /nfs/dbraw/zinc/36/31/58/544363158.db2.gz RMQZODFTZRMILN-UHFFFAOYSA-N -1 1 360.801 2.419 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC[C@H](C)O)c2)c1 ZINC000136064030 544366171 /nfs/dbraw/zinc/36/61/71/544366171.db2.gz HIQSTFKCRDJYCS-AWEZNQCLSA-N -1 1 362.451 2.297 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NC[C@@H]2CCCCO2)cc1 ZINC000140097819 544406894 /nfs/dbraw/zinc/40/68/94/544406894.db2.gz SGIDYNIHNRBCDT-AWEZNQCLSA-N -1 1 362.455 2.302 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(Nc2ccc(C)nn2)c1)c1nn[n-]n1 ZINC000136631698 544375302 /nfs/dbraw/zinc/37/53/02/544375302.db2.gz HXQUMIVKKMMKOF-AWEZNQCLSA-N -1 1 352.402 2.313 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)c1nn[n-]n1 ZINC000136676683 544376743 /nfs/dbraw/zinc/37/67/43/544376743.db2.gz IKVMAXLGDCKCRM-CABZTGNLSA-N -1 1 368.235 2.387 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1ccc(F)cc1F ZINC000151363314 544533457 /nfs/dbraw/zinc/53/34/57/544533457.db2.gz ZDYYFKOOSGIMSR-UHFFFAOYSA-N -1 1 360.364 2.167 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)c2nc(Cc3ccc(F)cc3)no2)n[n-]1 ZINC000151115897 544506840 /nfs/dbraw/zinc/50/68/40/544506840.db2.gz QSXGVGSPHUWAMZ-SECBINFHSA-N -1 1 365.390 2.015 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC3(CCCC3)C2)o1 ZINC000151156176 544510530 /nfs/dbraw/zinc/51/05/30/544510530.db2.gz XVTBNIHGAOQIOB-UHFFFAOYSA-N -1 1 370.471 2.142 20 0 FEADMM C[S@@](=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151202616 544516052 /nfs/dbraw/zinc/51/60/52/544516052.db2.gz XXWIRGTYJZPWTJ-FQEVSTJZSA-N -1 1 363.810 2.406 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)c1 ZINC000151665376 544567986 /nfs/dbraw/zinc/56/79/86/544567986.db2.gz WVCDQUZQHWVONK-UHFFFAOYSA-N -1 1 355.334 2.466 20 0 FEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000151936446 544597388 /nfs/dbraw/zinc/59/73/88/544597388.db2.gz SKSOLTIXPKORKO-UONOGXRCSA-N -1 1 367.515 2.443 20 0 FEADMM CCC(CC)(CCO)CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000152246676 544629131 /nfs/dbraw/zinc/62/91/31/544629131.db2.gz WTXLUJXJYDTMPH-UHFFFAOYSA-N -1 1 355.504 2.038 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc(C)c1F ZINC000152586977 544670630 /nfs/dbraw/zinc/67/06/30/544670630.db2.gz UGQAXIAJRVNYJK-UHFFFAOYSA-N -1 1 362.386 2.219 20 0 FEADMM CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)Nc1cc[nH]n1 ZINC000152621463 544675846 /nfs/dbraw/zinc/67/58/46/544675846.db2.gz SVOXAOSOXIVZSI-GFCCVEGCSA-N -1 1 372.397 2.020 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n[n-]1 ZINC000153153164 544738851 /nfs/dbraw/zinc/73/88/51/544738851.db2.gz IXQOMGHNNCRCIO-UWVGGRQHSA-N -1 1 370.862 2.060 20 0 FEADMM CCOCCN(CC)C(=O)c1cc(I)ccc1[O-] ZINC000153600502 544796405 /nfs/dbraw/zinc/79/64/05/544796405.db2.gz BUAMCCXJKPMVKD-UHFFFAOYSA-N -1 1 363.195 2.495 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000155094240 544988925 /nfs/dbraw/zinc/98/89/25/544988925.db2.gz XKXBQMGWIYXIFT-GFCCVEGCSA-N -1 1 367.243 2.382 20 0 FEADMM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccc2cn[nH]c21 ZINC000802849667 674202778 /nfs/dbraw/zinc/20/27/78/674202778.db2.gz RUXPDDNFEWTEAW-UHFFFAOYSA-N -1 1 353.762 2.474 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc(OC)c2)c1 ZINC000552847052 674227436 /nfs/dbraw/zinc/22/74/36/674227436.db2.gz HZGHIELDCGMUJN-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC3CC3)cc2)co1 ZINC000178917081 327615679 /nfs/dbraw/zinc/61/56/79/327615679.db2.gz NTRVAKKXUDFIJQ-UHFFFAOYSA-N -1 1 350.396 2.229 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)c1 ZINC000179192841 327630405 /nfs/dbraw/zinc/63/04/05/327630405.db2.gz QUVCIZPMESTWEQ-UHFFFAOYSA-N -1 1 362.407 2.390 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CO)C2)cc1 ZINC000179710469 327656788 /nfs/dbraw/zinc/65/67/88/327656788.db2.gz JESODQYBHHLDAC-OAHLLOKOSA-N -1 1 374.462 2.250 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)c1Cl ZINC000180133335 327672872 /nfs/dbraw/zinc/67/28/72/327672872.db2.gz YVHGERBXOTYMIB-NSHDSACASA-N -1 1 359.810 2.405 20 0 FEADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180534631 327689773 /nfs/dbraw/zinc/68/97/73/327689773.db2.gz BPDLKQYETJXMEG-BDAKNGLRSA-N -1 1 353.362 2.305 20 0 FEADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000181094004 327715898 /nfs/dbraw/zinc/71/58/98/327715898.db2.gz BKTWBUXTZVCWQJ-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000183085294 327800717 /nfs/dbraw/zinc/80/07/17/327800717.db2.gz UZYJNOCAOCAWKN-HNNXBMFYSA-N -1 1 370.453 2.145 20 0 FEADMM O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000183716403 327831690 /nfs/dbraw/zinc/83/16/90/327831690.db2.gz LVJGPIRFYJPECX-UHFFFAOYSA-N -1 1 365.792 2.346 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)s1 ZINC000185124770 327901177 /nfs/dbraw/zinc/90/11/77/327901177.db2.gz FEFRGCDRSJGZOP-CYBMUJFWSA-N -1 1 372.512 2.014 20 0 FEADMM Cc1coc2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc12 ZINC000187081054 328001026 /nfs/dbraw/zinc/00/10/26/328001026.db2.gz YQUHVBVZZHGUAV-UHFFFAOYSA-N -1 1 366.420 2.189 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187322955 328016419 /nfs/dbraw/zinc/01/64/19/328016419.db2.gz ZCVIWTUGQLCWCJ-OAHLLOKOSA-N -1 1 370.453 2.147 20 0 FEADMM Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2nc3ncncc3[n-]2)n1 ZINC000187468364 328028045 /nfs/dbraw/zinc/02/80/45/328028045.db2.gz QPJLXJCBDLHRGB-SNVBAGLBSA-N -1 1 370.394 2.246 20 0 FEADMM Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2nc3cncnc3[n-]2)n1 ZINC000187468364 328028047 /nfs/dbraw/zinc/02/80/47/328028047.db2.gz QPJLXJCBDLHRGB-SNVBAGLBSA-N -1 1 370.394 2.246 20 0 FEADMM Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2nc3c[n-]cnc-3n2)n1 ZINC000187468364 328028049 /nfs/dbraw/zinc/02/80/49/328028049.db2.gz QPJLXJCBDLHRGB-SNVBAGLBSA-N -1 1 370.394 2.246 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000188043540 328062329 /nfs/dbraw/zinc/06/23/29/328062329.db2.gz WBQOCXORYMIFCB-UHFFFAOYSA-N -1 1 360.483 2.197 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1 ZINC000188930588 328118466 /nfs/dbraw/zinc/11/84/66/328118466.db2.gz HDRTWLJNDMTQKB-UHFFFAOYSA-N -1 1 368.480 2.399 20 0 FEADMM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000188977982 328121247 /nfs/dbraw/zinc/12/12/47/328121247.db2.gz MCYHQTFSHJDIDJ-LBPRGKRZSA-N -1 1 355.232 2.141 20 0 FEADMM COc1ccc(CC(C)(C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000189061684 328126491 /nfs/dbraw/zinc/12/64/91/328126491.db2.gz IPUHEQZVRALOSZ-UHFFFAOYSA-N -1 1 354.410 2.434 20 0 FEADMM CCn1cc(NC(=O)c2cc(I)ccc2[O-])cn1 ZINC000192923741 328347019 /nfs/dbraw/zinc/34/70/19/328347019.db2.gz RMLZLUQXTMEKNX-UHFFFAOYSA-N -1 1 357.151 2.466 20 0 FEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C)c2Br)C1=O ZINC000193146019 328359551 /nfs/dbraw/zinc/35/95/51/328359551.db2.gz GLMNIGOZMVJVNB-CQSZACIVSA-N -1 1 354.204 2.123 20 0 FEADMM CC[C@H]1CN(C(=O)c2cc(I)ccc2[O-])CCO1 ZINC000193109317 328357829 /nfs/dbraw/zinc/35/78/29/328357829.db2.gz XVNQNHUQMBPNGV-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4cc[nH]c4c3)cc2n(C)c1=O ZINC000193474835 328377552 /nfs/dbraw/zinc/37/75/52/328377552.db2.gz ACDDWFVUSJHELR-UHFFFAOYSA-N -1 1 356.407 2.159 20 0 FEADMM Cc1cc(CNC(=O)c2cc(I)ccc2[O-])on1 ZINC000194521067 328428513 /nfs/dbraw/zinc/42/85/13/328428513.db2.gz VNPBHLOXPZVDIR-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@H](O)C1 ZINC000022737918 324400860 /nfs/dbraw/zinc/40/08/60/324400860.db2.gz OMZPHJDEQGBWIA-MRXNPFEDSA-N -1 1 360.435 2.084 20 0 FEADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1I ZINC000037730932 324493946 /nfs/dbraw/zinc/49/39/46/324493946.db2.gz WJFAXWHBRUNXDI-UHFFFAOYSA-N -1 1 363.180 2.124 20 0 FEADMM COC[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000219294051 328482799 /nfs/dbraw/zinc/48/27/99/328482799.db2.gz IQSMQQLEDDWPQV-SECBINFHSA-N -1 1 361.179 2.105 20 0 FEADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000048443662 324664707 /nfs/dbraw/zinc/66/47/07/324664707.db2.gz IHBYOYPOQITNHQ-VXNVDRBHSA-N -1 1 370.290 2.377 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)N(C)C ZINC000048666963 324670269 /nfs/dbraw/zinc/67/02/69/324670269.db2.gz ARLSPQXDKXFDIB-LURJTMIESA-N -1 1 359.662 2.402 20 0 FEADMM C[C@@]1(CNC(=O)c2ccc(I)c([O-])c2)CCCO1 ZINC000230901013 328487525 /nfs/dbraw/zinc/48/75/25/328487525.db2.gz QSMLCPWZJOLBCJ-ZDUSSCGKSA-N -1 1 361.179 2.296 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1 ZINC000055596607 324781506 /nfs/dbraw/zinc/78/15/06/324781506.db2.gz ADZQQTSTANLQOO-UHFFFAOYSA-N -1 1 368.480 2.396 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)o1 ZINC000079582248 325097920 /nfs/dbraw/zinc/09/79/20/325097920.db2.gz JEARDSTXJQIOGM-QLJPJBMISA-N -1 1 366.414 2.380 20 0 FEADMM COCCn1nc(C)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1C ZINC000080327372 325128372 /nfs/dbraw/zinc/12/83/72/325128372.db2.gz YNYQSUKUJSQEOZ-UHFFFAOYSA-N -1 1 371.434 2.106 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000080547120 325135399 /nfs/dbraw/zinc/13/53/99/325135399.db2.gz ZQEDDDHNDRKVKU-UHFFFAOYSA-N -1 1 356.426 2.087 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)n[n-]1 ZINC000086170717 325262294 /nfs/dbraw/zinc/26/22/94/325262294.db2.gz AMLGDVFQDWXEDD-SECBINFHSA-N -1 1 356.835 2.130 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1nn[n-]n1 ZINC000090061036 325352857 /nfs/dbraw/zinc/35/28/57/325352857.db2.gz NTMQCVNVCSOQJS-GDBMZVCRSA-N -1 1 370.457 2.217 20 0 FEADMM COc1ccc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000091159102 325375718 /nfs/dbraw/zinc/37/57/18/325375718.db2.gz FRNVOESYSRPPKN-UHFFFAOYSA-N -1 1 352.387 2.387 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1CC ZINC000091579127 325388084 /nfs/dbraw/zinc/38/80/84/325388084.db2.gz LIYGUCOPPVCDFD-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000107308103 325624138 /nfs/dbraw/zinc/62/41/38/325624138.db2.gz HPWSPGMHPLEPMV-NSHDSACASA-N -1 1 372.443 2.237 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1 ZINC000108639036 325647392 /nfs/dbraw/zinc/64/73/92/325647392.db2.gz RLNSZTDWYJBTLG-UHFFFAOYSA-N -1 1 370.434 2.248 20 0 FEADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000109953679 325680900 /nfs/dbraw/zinc/68/09/00/325680900.db2.gz VNLVYEXEMHOQGD-NSHDSACASA-N -1 1 360.801 2.327 20 0 FEADMM Cc1ccc([C@H]2C[C@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000114413073 325890183 /nfs/dbraw/zinc/89/01/83/325890183.db2.gz IMPUQTZTRUTJPB-QWHCGFSZSA-N -1 1 356.451 2.429 20 0 FEADMM CCc1ncc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)s1 ZINC000115942599 325986614 /nfs/dbraw/zinc/98/66/14/325986614.db2.gz SJDBIUAJYKBLGO-UHFFFAOYSA-N -1 1 355.441 2.338 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1F ZINC000116159164 325996471 /nfs/dbraw/zinc/99/64/71/325996471.db2.gz KUISTHAGGFYCTN-UHFFFAOYSA-N -1 1 368.361 2.060 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)ccc1F ZINC000116601326 326027042 /nfs/dbraw/zinc/02/70/42/326027042.db2.gz YGDNPSJZGOSENX-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM C[C@H]1SCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)[C@H]1C ZINC000118289202 326087634 /nfs/dbraw/zinc/08/76/34/326087634.db2.gz DYOZVXGFAOJXCA-WDEREUQCSA-N -1 1 360.501 2.322 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000119439451 326162840 /nfs/dbraw/zinc/16/28/40/326162840.db2.gz MKEDIJFJEJZNSO-GFCCVEGCSA-N -1 1 354.453 2.399 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c2=O ZINC000119485881 326168071 /nfs/dbraw/zinc/16/80/71/326168071.db2.gz NBGPUYHPJIPGQJ-ZBFHGGJFSA-N -1 1 374.347 2.212 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)c1nn[n-]n1 ZINC000119625870 326182127 /nfs/dbraw/zinc/18/21/27/326182127.db2.gz QQDFQBBKYHISQY-GFCCVEGCSA-N -1 1 365.825 2.218 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)[nH]n1 ZINC000119828082 326203188 /nfs/dbraw/zinc/20/31/88/326203188.db2.gz GIPLCLKSMXRQOG-CYBMUJFWSA-N -1 1 368.422 2.252 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC(CO)CC1 ZINC000119982430 326218496 /nfs/dbraw/zinc/21/84/96/326218496.db2.gz XEQAQGXQRHAPNL-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000120567875 326268838 /nfs/dbraw/zinc/26/88/38/326268838.db2.gz HIZIWAAIMWDMLH-SUMWQHHRSA-N -1 1 374.462 2.475 20 0 FEADMM Cc1nc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000121368624 326333302 /nfs/dbraw/zinc/33/33/02/326333302.db2.gz MXTQCKBJGMMUHT-UHFFFAOYSA-N -1 1 369.393 2.306 20 0 FEADMM CCCc1c(C(=O)Nc2nn[n-]n2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC000121439790 326338910 /nfs/dbraw/zinc/33/89/10/326338910.db2.gz JHGITMOADBUHHH-UHFFFAOYSA-N -1 1 354.418 2.283 20 0 FEADMM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121593850 326350588 /nfs/dbraw/zinc/35/05/88/326350588.db2.gz PXEJUSIOMKVUSA-QUBYGPBYSA-N -1 1 356.188 2.183 20 0 FEADMM COCCOC[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000122453968 326397428 /nfs/dbraw/zinc/39/74/28/326397428.db2.gz AISRDGAKHZVWKO-NSHDSACASA-N -1 1 358.232 2.280 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)o1 ZINC000125282008 326468829 /nfs/dbraw/zinc/46/88/29/326468829.db2.gz HJZJZYPIBAMKKH-UHFFFAOYSA-N -1 1 364.301 2.164 20 0 FEADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000125304531 326469233 /nfs/dbraw/zinc/46/92/33/326469233.db2.gz OUHCZTSTOAVENC-SECBINFHSA-N -1 1 351.371 2.486 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCC(C(N)=O)CC2)cc1 ZINC000125616673 326474772 /nfs/dbraw/zinc/47/47/72/326474772.db2.gz DHQDMPNULNCOIW-UHFFFAOYSA-N -1 1 373.478 2.498 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000128295103 326521325 /nfs/dbraw/zinc/52/13/25/326521325.db2.gz VITSFGXUTYGKDT-UHFFFAOYSA-N -1 1 363.292 2.452 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H](O)Cc1ccccc1 ZINC000129224832 326536695 /nfs/dbraw/zinc/53/66/95/326536695.db2.gz HJLIOCWICWBWNN-BONVTDFDSA-N -1 1 359.369 2.374 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1F ZINC000131311805 326572459 /nfs/dbraw/zinc/57/24/59/326572459.db2.gz XFXMDIFXLLYZLN-UHFFFAOYSA-N -1 1 374.796 2.327 20 0 FEADMM CN(C[C@H]1CCCN1c1cccnn1)C(=O)c1c([O-])cnc2ccccc21 ZINC000136906754 326656338 /nfs/dbraw/zinc/65/63/38/326656338.db2.gz BIIXYLJYKDEOHX-CQSZACIVSA-N -1 1 363.421 2.471 20 0 FEADMM Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)C[C@H]2CCCCO2)n1 ZINC000150820522 326668735 /nfs/dbraw/zinc/66/87/35/326668735.db2.gz GECKTOCTERNUFM-CQSZACIVSA-N -1 1 350.444 2.195 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2Br)c1 ZINC000152297551 326703605 /nfs/dbraw/zinc/70/36/05/326703605.db2.gz LUIBMHAPZUAYBM-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(F)c1F ZINC000153012683 326721817 /nfs/dbraw/zinc/72/18/17/326721817.db2.gz SAPVXMBODOORFE-XPTSAGLGSA-N -1 1 367.414 2.437 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3CO)c2)cc1 ZINC000154067033 326750457 /nfs/dbraw/zinc/75/04/57/326750457.db2.gz IGGOTUJAHSQVQZ-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(F)cc3F)CCC2)o1 ZINC000154974812 326773966 /nfs/dbraw/zinc/77/39/66/326773966.db2.gz OJGPDECUSHRBOH-UHFFFAOYSA-N -1 1 370.377 2.275 20 0 FEADMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000161947115 327013055 /nfs/dbraw/zinc/01/30/55/327013055.db2.gz RRXCYLPMPWABFX-UHFFFAOYSA-N -1 1 357.428 2.214 20 0 FEADMM O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000163085981 327042490 /nfs/dbraw/zinc/04/24/90/327042490.db2.gz FYYSSCSXPCXOSW-HNNXBMFYSA-N -1 1 356.397 2.352 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1C ZINC000164799710 327074435 /nfs/dbraw/zinc/07/44/35/327074435.db2.gz HZDPRJUNAKKUMW-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ncccc1[O-] ZINC000171121398 327119435 /nfs/dbraw/zinc/11/94/35/327119435.db2.gz HXZZCLZHHQWTOV-HNNXBMFYSA-N -1 1 361.829 2.244 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc([C@@H](C)O)cc2)c(=O)[n-]1 ZINC000171131276 327119822 /nfs/dbraw/zinc/11/98/22/327119822.db2.gz LKKADIPKQSKVAH-GFCCVEGCSA-N -1 1 361.467 2.103 20 0 FEADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2)n1 ZINC000172184183 327186143 /nfs/dbraw/zinc/18/61/43/327186143.db2.gz QQESVKAZTVDOIH-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccccc1-n1ccnn1 ZINC000172886554 327224744 /nfs/dbraw/zinc/22/47/44/327224744.db2.gz KKJFBBJFBPBTEE-UHFFFAOYSA-N -1 1 362.386 2.227 20 0 FEADMM CCC(CC)c1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)on1 ZINC000174041320 327303317 /nfs/dbraw/zinc/30/33/17/327303317.db2.gz VXXLQZIIGKKBMZ-UHFFFAOYSA-N -1 1 355.416 2.009 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000174210386 327313386 /nfs/dbraw/zinc/31/33/86/327313386.db2.gz PVGOOKPVMYWSDZ-VIFPVBQESA-N -1 1 374.367 2.126 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000174344230 327320988 /nfs/dbraw/zinc/32/09/88/327320988.db2.gz ZNXBQAJZBGIKGR-SNVBAGLBSA-N -1 1 374.391 2.380 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)CCc1cccn1C ZINC000174430006 327326570 /nfs/dbraw/zinc/32/65/70/327326570.db2.gz LEZAYYQSZBATIJ-CYBMUJFWSA-N -1 1 369.469 2.460 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nc[nH]n1 ZINC000174545983 327333956 /nfs/dbraw/zinc/33/39/56/327333956.db2.gz KNTRBIJSRQYBML-GFCCVEGCSA-N -1 1 371.422 2.097 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1CS(C)(=O)=O ZINC000174693647 327343910 /nfs/dbraw/zinc/34/39/10/327343910.db2.gz SZTRLESYUKFKQJ-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCS1 ZINC000174783524 327350868 /nfs/dbraw/zinc/35/08/68/327350868.db2.gz WKQRIUBCQTZWCJ-AWEZNQCLSA-N -1 1 358.467 2.037 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000175216967 327380672 /nfs/dbraw/zinc/38/06/72/327380672.db2.gz QXTJMMBAZBMBNR-UHFFFAOYSA-N -1 1 364.323 2.408 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN([C@H](C)C(F)(F)F)CC3)cnc2n1 ZINC000175425247 327392066 /nfs/dbraw/zinc/39/20/66/327392066.db2.gz XYYMXJPZKAVJGN-LLVKDONJSA-N -1 1 368.359 2.352 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN([C@H](C)C(F)(F)F)CC3)c[n-]c2n1 ZINC000175425247 327392067 /nfs/dbraw/zinc/39/20/67/327392067.db2.gz XYYMXJPZKAVJGN-LLVKDONJSA-N -1 1 368.359 2.352 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)o1 ZINC000177693543 327538299 /nfs/dbraw/zinc/53/82/99/327538299.db2.gz IJDUNHBEZCSWRP-UHFFFAOYSA-N -1 1 362.407 2.459 20 0 FEADMM CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1)Oc1cccc(C)c1 ZINC000178023075 327559638 /nfs/dbraw/zinc/55/96/38/327559638.db2.gz HRZSZSMOUYUPMX-ZDUSSCGKSA-N -1 1 366.439 2.084 20 0 FEADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1cccc(Cl)c1 ZINC000178142670 327567877 /nfs/dbraw/zinc/56/78/77/327567877.db2.gz AQPKYYMDRNIBMZ-UHFFFAOYSA-N -1 1 357.840 2.471 20 0 FEADMM COc1cccc([C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000264267478 329006108 /nfs/dbraw/zinc/00/61/08/329006108.db2.gz VSQPRSNOGYHYHB-NSHDSACASA-N -1 1 354.410 2.068 20 0 FEADMM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1cccc(OC)c1 ZINC000264520174 329032163 /nfs/dbraw/zinc/03/21/63/329032163.db2.gz CGFQIUSWLDRPQS-UHFFFAOYSA-N -1 1 354.410 2.244 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)C(=O)Nc2ccccc2)c(=O)[n-]1 ZINC000264868040 329069134 /nfs/dbraw/zinc/06/91/34/329069134.db2.gz RVSGYSMFJKWHDN-LBPRGKRZSA-N -1 1 374.466 2.289 20 0 FEADMM CC[C@H]1CO[C@@H](C)CN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266295817 329208972 /nfs/dbraw/zinc/20/89/72/329208972.db2.gz LAEDQYGNMDSLRP-WFASDCNBSA-N -1 1 356.426 2.121 20 0 FEADMM CCOC(=O)CC1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000267044776 329286072 /nfs/dbraw/zinc/28/60/72/329286072.db2.gz UVSXMGWHFYOJTE-UHFFFAOYSA-N -1 1 353.444 2.018 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1ccco1 ZINC000267076398 329289246 /nfs/dbraw/zinc/28/92/46/329289246.db2.gz RLXNPRFUSYMVOB-LLVKDONJSA-N -1 1 361.217 2.103 20 0 FEADMM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000267088254 329290541 /nfs/dbraw/zinc/29/05/41/329290541.db2.gz HWGYWYWNHWWOER-MRXNPFEDSA-N -1 1 361.438 2.420 20 0 FEADMM COc1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1[N-]S(C)(=O)=O ZINC000267257911 329307945 /nfs/dbraw/zinc/30/79/45/329307945.db2.gz ZFRRRDAXUBARTQ-UHFFFAOYSA-N -1 1 368.415 2.027 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(C)CCOCC1 ZINC000267794728 329358720 /nfs/dbraw/zinc/35/87/20/329358720.db2.gz NAUIQIVRTJOMIU-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM CCC[C@H](NC(=O)CCOc1ccccc1Br)c1nn[n-]n1 ZINC000268151913 329390823 /nfs/dbraw/zinc/39/08/23/329390823.db2.gz GMJVLMDCJBOEPA-NSHDSACASA-N -1 1 368.235 2.389 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000270760927 329629041 /nfs/dbraw/zinc/62/90/41/329629041.db2.gz ORIOEAASFXVLOV-NSHDSACASA-N -1 1 371.821 2.468 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)S(C)(=O)=O)c1 ZINC000272514586 329787255 /nfs/dbraw/zinc/78/72/55/329787255.db2.gz QZGDMJVAPQVAQM-UHFFFAOYSA-N -1 1 350.234 2.225 20 0 FEADMM COCC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccco1 ZINC000272539011 329789633 /nfs/dbraw/zinc/78/96/33/329789633.db2.gz CHZAJJHEUPCRFX-OAHLLOKOSA-N -1 1 372.425 2.471 20 0 FEADMM O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1ccc(O)cc1[O-] ZINC000272936102 329824772 /nfs/dbraw/zinc/82/47/72/329824772.db2.gz GTRPPTPYAVWSBX-CYBMUJFWSA-N -1 1 370.405 2.195 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2cscn2)no1 ZINC000273772132 329890448 /nfs/dbraw/zinc/89/04/48/329890448.db2.gz SAIOVJOJUJZXEM-MRVPVSSYSA-N -1 1 356.454 2.218 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)c2ccccc2OC(F)F)s1 ZINC000275685688 330077868 /nfs/dbraw/zinc/07/78/68/330077868.db2.gz ZVXROOJLRYLDDH-UHFFFAOYSA-N -1 1 367.424 2.340 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2ccnc(F)c2F)s1 ZINC000276429705 330150785 /nfs/dbraw/zinc/15/07/85/330150785.db2.gz FPBOEHXPKGWSAX-UHFFFAOYSA-N -1 1 360.367 2.119 20 0 FEADMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cn(C)nc2C)c(Cl)c1 ZINC000288702966 330186146 /nfs/dbraw/zinc/18/61/46/330186146.db2.gz YKCRFRZAVTXTLQ-UHFFFAOYSA-N -1 1 357.819 2.278 20 0 FEADMM COC(=O)N1CCC(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000804685021 674297049 /nfs/dbraw/zinc/29/70/49/674297049.db2.gz FGELPSVNRNMQAG-UHFFFAOYSA-N -1 1 371.231 2.363 20 0 FEADMM COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000805510507 674341812 /nfs/dbraw/zinc/34/18/12/674341812.db2.gz GGHUNXHQATXUDA-QMMMGPOBSA-N -1 1 373.199 2.468 20 0 FEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)nc3)cc21 ZINC000555428240 674361470 /nfs/dbraw/zinc/36/14/70/674361470.db2.gz MIFRNXXZKAGVMD-UHFFFAOYSA-N -1 1 355.366 2.476 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1(C)C ZINC000408214214 558656808 /nfs/dbraw/zinc/65/68/08/558656808.db2.gz ICVOHKXJFDPKHE-BKDNQFJXSA-N -1 1 352.250 2.380 20 0 FEADMM C/C=C/C[C@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000474622051 561078673 /nfs/dbraw/zinc/07/86/73/561078673.db2.gz YHWFQRHUWZNQRD-VMZHVLLKSA-N -1 1 361.179 2.054 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](C)Cc1cccs1 ZINC000156226729 545609648 /nfs/dbraw/zinc/60/96/48/545609648.db2.gz JDRSHRKHPBQZKR-LLVKDONJSA-N -1 1 358.467 2.238 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000156492258 545630778 /nfs/dbraw/zinc/63/07/78/545630778.db2.gz RLQQYBYCBDYBOF-STQMWFEESA-N -1 1 372.462 2.011 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000156536284 545633831 /nfs/dbraw/zinc/63/38/31/545633831.db2.gz ZKVFVMYZHVWGII-NSHDSACASA-N -1 1 374.445 2.191 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C12CCCCC2 ZINC000477347854 561142777 /nfs/dbraw/zinc/14/27/77/561142777.db2.gz HBYOWSORXOBMLZ-NWDGAFQWSA-N -1 1 365.430 2.096 20 0 FEADMM Cn1nnnc1-c1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000477442777 561145095 /nfs/dbraw/zinc/14/50/95/561145095.db2.gz JOUFSINRKXFOJE-UHFFFAOYSA-N -1 1 373.376 2.084 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)c(OC)c2)cc1 ZINC000478685718 561172764 /nfs/dbraw/zinc/17/27/64/561172764.db2.gz ODMUXOZKOQDCNH-UHFFFAOYSA-N -1 1 365.407 2.429 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1OC ZINC000478684791 561172802 /nfs/dbraw/zinc/17/28/02/561172802.db2.gz BQDGIVMGRZHXFG-UHFFFAOYSA-N -1 1 363.391 2.218 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)o1 ZINC000479179535 561183531 /nfs/dbraw/zinc/18/35/31/561183531.db2.gz DJSNTTYVEIIFSJ-UHFFFAOYSA-N -1 1 371.386 2.343 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OCC)cc2)o1 ZINC000479184723 561183749 /nfs/dbraw/zinc/18/37/49/561183749.db2.gz GQQPFTLKDNUITR-UHFFFAOYSA-N -1 1 353.396 2.334 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1 ZINC000171014331 546185997 /nfs/dbraw/zinc/18/59/97/546185997.db2.gz UOQNEXIOBNKTMT-UHFFFAOYSA-N -1 1 358.379 2.496 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)c1 ZINC000171333736 546204207 /nfs/dbraw/zinc/20/42/07/546204207.db2.gz FNQPGVPETPCBBP-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM CCc1ncc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cn1 ZINC000479296453 561186843 /nfs/dbraw/zinc/18/68/43/561186843.db2.gz NKZHISZPKMVKLZ-UHFFFAOYSA-N -1 1 355.803 2.500 20 0 FEADMM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000175645188 546327425 /nfs/dbraw/zinc/32/74/25/546327425.db2.gz WXXMQGVQHCLKEP-SQQOMWROSA-N -1 1 369.430 2.462 20 0 FEADMM COc1cccc(Cc2nnc([N-]C(=O)c3cncc(OC)n3)s2)c1 ZINC000480175365 561204183 /nfs/dbraw/zinc/20/41/83/561204183.db2.gz VMMFSRNMDKJPFO-UHFFFAOYSA-N -1 1 357.395 2.188 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000176099552 546406734 /nfs/dbraw/zinc/40/67/34/546406734.db2.gz XWAWYGYHYGERNZ-GFCCVEGCSA-N -1 1 361.467 2.383 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1nn[n-]n1 ZINC000176751125 546483415 /nfs/dbraw/zinc/48/34/15/546483415.db2.gz RDVQICPYJSUJOC-MRXNPFEDSA-N -1 1 352.398 2.445 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2[C@@H]3CCC[C@H]23)c1 ZINC000177622362 546656108 /nfs/dbraw/zinc/65/61/08/546656108.db2.gz TXBLGCWNSXGGIV-OCZCAGDBSA-N -1 1 352.456 2.407 20 0 FEADMM O=C(NCCCNC(=O)C1CCC1)c1cc(Br)ccc1[O-] ZINC000177644946 546659339 /nfs/dbraw/zinc/65/93/39/546659339.db2.gz UHLFFZPZSRQZAJ-UHFFFAOYSA-N -1 1 355.232 2.191 20 0 FEADMM Cn1cnc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000178201737 546757013 /nfs/dbraw/zinc/75/70/13/546757013.db2.gz DVXQEWPTBZNVMQ-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(Cc1ccc(Cl)cc1)C1CC1 ZINC000481541565 561235763 /nfs/dbraw/zinc/23/57/63/561235763.db2.gz GBFFUPMBGJUGJR-UHFFFAOYSA-N -1 1 359.813 2.362 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)cc1F ZINC000178961573 546881085 /nfs/dbraw/zinc/88/10/85/546881085.db2.gz QAPUGKUARXDTNV-UHFFFAOYSA-N -1 1 372.443 2.097 20 0 FEADMM O=C(N[C@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000179050573 546891772 /nfs/dbraw/zinc/89/17/72/546891772.db2.gz KNEJKOZMDURSGZ-HNNXBMFYSA-N -1 1 364.398 2.145 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc3ccccc3c2)co1 ZINC000179228017 546917403 /nfs/dbraw/zinc/91/74/03/546917403.db2.gz FPMRTTMCORKSND-UHFFFAOYSA-N -1 1 374.418 2.150 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)COc2c(C)cccc2C)co1 ZINC000179354145 546937837 /nfs/dbraw/zinc/93/78/37/546937837.db2.gz AMVORDREPMZKSX-CYBMUJFWSA-N -1 1 366.439 2.002 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000179538442 546973152 /nfs/dbraw/zinc/97/31/52/546973152.db2.gz OAPSFKOREILKMS-NWDGAFQWSA-N -1 1 368.361 2.060 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000179540769 546974620 /nfs/dbraw/zinc/97/46/20/546974620.db2.gz CYBGTYOTDQEBFY-NWDGAFQWSA-N -1 1 366.826 2.435 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@H](C(C)C)C1 ZINC000482313081 561252304 /nfs/dbraw/zinc/25/23/04/561252304.db2.gz LZHPTGDVITVCTK-KRWDZBQOSA-N -1 1 370.453 2.369 20 0 FEADMM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000482371376 561253240 /nfs/dbraw/zinc/25/32/40/561253240.db2.gz WVCLYLRRGADESU-MRVPVSSYSA-N -1 1 370.226 2.331 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H]1CC[C@@H](C)C1 ZINC000482659403 561257864 /nfs/dbraw/zinc/25/78/64/561257864.db2.gz NOROZSARZHEGBB-DOMZBBRYSA-N -1 1 360.458 2.258 20 0 FEADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc([O-])cc1F ZINC000181054231 547240002 /nfs/dbraw/zinc/24/00/02/547240002.db2.gz VDTYIIZKUAMDCO-OAHLLOKOSA-N -1 1 350.415 2.396 20 0 FEADMM O=S(=O)([N-]CCCOCCO)c1c(Cl)cccc1C(F)(F)F ZINC000182329553 547473843 /nfs/dbraw/zinc/47/38/43/547473843.db2.gz MNVGXRWJCUKNAG-UHFFFAOYSA-N -1 1 361.769 2.036 20 0 FEADMM CN1CCc2nc(NC(=O)c3[n-]cnc3C(=O)c3ccccc3)sc2C1 ZINC000484063214 561290667 /nfs/dbraw/zinc/29/06/67/561290667.db2.gz GHGLUSBURPVRSA-UHFFFAOYSA-N -1 1 367.434 2.337 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000183055945 547593215 /nfs/dbraw/zinc/59/32/15/547593215.db2.gz VJTUVLIYPIPDGD-UHFFFAOYSA-N -1 1 362.393 2.098 20 0 FEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183393838 547649609 /nfs/dbraw/zinc/64/96/09/547649609.db2.gz MIRHVRJNIKEIJZ-VHSXEESVSA-N -1 1 357.336 2.248 20 0 FEADMM COc1cc(C=CC(=O)N(C)C[C@H](C)c2nn[n-]n2)ccc1OC(C)C ZINC000183399590 547650381 /nfs/dbraw/zinc/65/03/81/547650381.db2.gz HGSZGMXKJILOSN-XOVSCCBYSA-N -1 1 359.430 2.271 20 0 FEADMM COc1c(Br)c(C)sc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183430780 547657825 /nfs/dbraw/zinc/65/78/25/547657825.db2.gz YYRYPEJXCRZUJA-LURJTMIESA-N -1 1 374.264 2.216 20 0 FEADMM CCOc1cc2c(cc1C=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1)O[C@@H](C)C2 ZINC000183440367 547658686 /nfs/dbraw/zinc/65/86/86/547658686.db2.gz OGEGLDNTBQIVHB-VWWYUBIBSA-N -1 1 371.441 2.197 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1nn[n-]n1 ZINC000183443574 547659845 /nfs/dbraw/zinc/65/98/45/547659845.db2.gz RUJIWGLJMMLYBG-QMMMGPOBSA-N -1 1 368.319 2.455 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)c[nH]1 ZINC000484555130 561299863 /nfs/dbraw/zinc/29/98/63/561299863.db2.gz HESKTRBYOZJGDL-UHFFFAOYSA-N -1 1 370.408 2.022 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)cc1 ZINC000484574639 561300458 /nfs/dbraw/zinc/30/04/58/561300458.db2.gz UGXWSULNXIJRJU-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000484666890 561302935 /nfs/dbraw/zinc/30/29/35/561302935.db2.gz CFAKYXCEDKPEEL-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(C)C ZINC000484787724 561305990 /nfs/dbraw/zinc/30/59/90/561305990.db2.gz QPSXWVZENQVGID-CHWSQXEVSA-N -1 1 359.444 2.328 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)Cc1ccco1 ZINC000185052099 547924647 /nfs/dbraw/zinc/92/46/47/547924647.db2.gz AJDVGXRUAHNPTB-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM Cc1c2ccc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)cc2nn1C ZINC000485453078 561319592 /nfs/dbraw/zinc/31/95/92/561319592.db2.gz JIPINRKPFXFQII-UHFFFAOYSA-N -1 1 364.409 2.428 20 0 FEADMM CC(=O)c1ccc(C(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2F)o1 ZINC000485515154 561320932 /nfs/dbraw/zinc/32/09/32/561320932.db2.gz KRRONHCHHVRDGD-UHFFFAOYSA-N -1 1 354.359 2.124 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1ccccc1 ZINC000185743121 548028664 /nfs/dbraw/zinc/02/86/64/548028664.db2.gz VDMDTJAWXPINGI-MRXNPFEDSA-N -1 1 360.391 2.162 20 0 FEADMM Cc1nnc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)o1 ZINC000485812993 561328794 /nfs/dbraw/zinc/32/87/94/561328794.db2.gz CPQZSBKHUXSDEQ-UHFFFAOYSA-N -1 1 372.406 2.360 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@H](c3ccc(F)cc3F)C1)c2=O ZINC000186872640 548209111 /nfs/dbraw/zinc/20/91/11/548209111.db2.gz AWZOIXGDIIRSTM-HNNXBMFYSA-N -1 1 374.347 2.166 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2ccnn2)c1)c1cc(F)c(F)c(F)c1 ZINC000486535482 561350024 /nfs/dbraw/zinc/35/00/24/561350024.db2.gz QZIULUILVCBFOM-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1 ZINC000486576143 561351424 /nfs/dbraw/zinc/35/14/24/561351424.db2.gz PAIVDGYUWHVAQX-UHFFFAOYSA-N -1 1 355.372 2.351 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c1 ZINC000194287321 548460062 /nfs/dbraw/zinc/46/00/62/548460062.db2.gz DAPABHQBLYATDX-UHFFFAOYSA-N -1 1 357.395 2.056 20 0 FEADMM C[C@]1(c2ccccc2)CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000486779590 561356194 /nfs/dbraw/zinc/35/61/94/561356194.db2.gz NOFMYSFKKXBLGI-FQEVSTJZSA-N -1 1 353.422 2.097 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCc2cc(Cl)ccc2OC)n1 ZINC000195069623 548572619 /nfs/dbraw/zinc/57/26/19/548572619.db2.gz HAJUFBLDURQIOI-UHFFFAOYSA-N -1 1 367.858 2.403 20 0 FEADMM CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195127039 548580976 /nfs/dbraw/zinc/58/09/76/548580976.db2.gz WXHJZPQLSZABCS-QWRGUYRKSA-N -1 1 368.434 2.078 20 0 FEADMM CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195127039 548580984 /nfs/dbraw/zinc/58/09/84/548580984.db2.gz WXHJZPQLSZABCS-QWRGUYRKSA-N -1 1 368.434 2.078 20 0 FEADMM CCc1ccccc1NC(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195170799 548589999 /nfs/dbraw/zinc/58/99/99/548589999.db2.gz LDHJQESHPGOMOI-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCc1ccccc1NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195170799 548590001 /nfs/dbraw/zinc/59/00/01/548590001.db2.gz LDHJQESHPGOMOI-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCc1ccccc1NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195170799 548590004 /nfs/dbraw/zinc/59/00/04/548590004.db2.gz LDHJQESHPGOMOI-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1 ZINC000195188856 548593346 /nfs/dbraw/zinc/59/33/46/548593346.db2.gz WFZDARFBCLQDEQ-UHFFFAOYSA-N -1 1 359.407 2.463 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)n[n-]2)c(OC)c1 ZINC000195188856 548593349 /nfs/dbraw/zinc/59/33/49/548593349.db2.gz WFZDARFBCLQDEQ-UHFFFAOYSA-N -1 1 359.407 2.463 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)no1 ZINC000195286676 548612033 /nfs/dbraw/zinc/61/20/33/548612033.db2.gz ZUZDHQAIVMSVHM-UHFFFAOYSA-N -1 1 361.427 2.095 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)no1 ZINC000195286676 548612038 /nfs/dbraw/zinc/61/20/38/548612038.db2.gz ZUZDHQAIVMSVHM-UHFFFAOYSA-N -1 1 361.427 2.095 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)no1 ZINC000195286676 548612043 /nfs/dbraw/zinc/61/20/43/548612043.db2.gz ZUZDHQAIVMSVHM-UHFFFAOYSA-N -1 1 361.427 2.095 20 0 FEADMM Cn1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1=O ZINC000195327718 548623393 /nfs/dbraw/zinc/62/33/93/548623393.db2.gz GXJZOOTYTPPPQS-UHFFFAOYSA-N -1 1 361.192 2.088 20 0 FEADMM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000195480594 548646964 /nfs/dbraw/zinc/64/69/64/548646964.db2.gz NMIUTQRMWYYSHE-XVKPBYJWSA-N -1 1 370.780 2.162 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2=NCCS2)cc1 ZINC000198644715 548661938 /nfs/dbraw/zinc/66/19/38/548661938.db2.gz SINYIPJOWNLBJT-UHFFFAOYSA-N -1 1 363.468 2.225 20 0 FEADMM COC[C@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000219294076 548694206 /nfs/dbraw/zinc/69/42/06/548694206.db2.gz IQSMQQLEDDWPQV-VIFPVBQESA-N -1 1 361.179 2.105 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000230906834 548762405 /nfs/dbraw/zinc/76/24/05/548762405.db2.gz PSJICSFWQVEMIM-PSASIEDQSA-N -1 1 361.179 2.294 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000242502659 548886464 /nfs/dbraw/zinc/88/64/64/548886464.db2.gz BUQYDEMSBIOPIV-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000488116541 561383820 /nfs/dbraw/zinc/38/38/20/561383820.db2.gz XKWIWQLXCFPXNI-DEOSSOPVSA-N -1 1 365.480 2.222 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000246738921 549200477 /nfs/dbraw/zinc/20/04/77/549200477.db2.gz WHAVAZCYCPXLTR-BNMUBRSASA-N -1 1 369.430 2.462 20 0 FEADMM C[C@H](CN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H](C)CO)c1ccccc1 ZINC000489495797 561412842 /nfs/dbraw/zinc/41/28/42/561412842.db2.gz XESDLPAQPNKXPU-KGLIPLIRSA-N -1 1 368.437 2.301 20 0 FEADMM C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(N)=O ZINC000490078250 561425937 /nfs/dbraw/zinc/42/59/37/561425937.db2.gz GWOHDRLYCHUBPH-BJOHPYRUSA-N -1 1 372.368 2.040 20 0 FEADMM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000261984579 549777374 /nfs/dbraw/zinc/77/73/74/549777374.db2.gz CGWQGUBQBKCIEA-HUUCEWRRSA-N -1 1 354.410 2.289 20 0 FEADMM CCC[C@H](NCC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000262286930 549806089 /nfs/dbraw/zinc/80/60/89/549806089.db2.gz MQKDDRQLSUWJDN-GJZGRUSLSA-N -1 1 364.442 2.210 20 0 FEADMM COc1cc(-c2noc(CN3CC[C@@H](C(=O)[O-])C3)n2)ccc1OC(F)F ZINC000262683444 549838983 /nfs/dbraw/zinc/83/89/83/549838983.db2.gz WXAIIWPMNLCODI-SNVBAGLBSA-N -1 1 369.324 2.253 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)Nc1cccc(C(=O)N(CC)CC)c1)C(=O)[O-] ZINC000263035018 549872610 /nfs/dbraw/zinc/87/26/10/549872610.db2.gz BRKYHHUOKSXIHM-GUYCJALGSA-N -1 1 363.458 2.196 20 0 FEADMM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263136116 549880610 /nfs/dbraw/zinc/88/06/10/549880610.db2.gz DFEHQICNRMHCLF-QWRGUYRKSA-N -1 1 355.232 2.430 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000263179580 549884044 /nfs/dbraw/zinc/88/40/44/549884044.db2.gz ZMPCLGJDLHQCEG-KRWDZBQOSA-N -1 1 363.801 2.293 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)n[nH]2)cc1 ZINC000263186854 549884531 /nfs/dbraw/zinc/88/45/31/549884531.db2.gz SDCMDILYAKVLSE-ORAYPTAESA-N -1 1 355.394 2.412 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000263341752 549895813 /nfs/dbraw/zinc/89/58/13/549895813.db2.gz NOZMJTVEYOEJKT-JSGCOSHPSA-N -1 1 374.416 2.301 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c1Cl ZINC000263804572 549939700 /nfs/dbraw/zinc/93/97/00/549939700.db2.gz LAFNRVLESFHEAP-UHFFFAOYSA-N -1 1 365.789 2.196 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)C2CC2)cc1 ZINC000268362340 550054398 /nfs/dbraw/zinc/05/43/98/550054398.db2.gz GIKVBQDVAKKULA-SFHVURJKSA-N -1 1 374.462 2.297 20 0 FEADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C4CC4)n[nH]3)cc2C[C@H]1C ZINC000268469268 550071781 /nfs/dbraw/zinc/07/17/81/550071781.db2.gz HLNRVFDQWLCGEE-SNVBAGLBSA-N -1 1 360.439 2.385 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)CO)c2)c1 ZINC000491836236 561447881 /nfs/dbraw/zinc/44/78/81/561447881.db2.gz YYDWIXLBMSFING-AWEZNQCLSA-N -1 1 362.451 2.154 20 0 FEADMM CCOCc1ccccc1CNC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000268597552 550091789 /nfs/dbraw/zinc/09/17/89/550091789.db2.gz FVWOKBZHFQMVEX-UHFFFAOYSA-N -1 1 363.435 2.019 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](CO)CC(C)(C)C ZINC000269665642 550215028 /nfs/dbraw/zinc/21/50/28/550215028.db2.gz VJULYQDSERINGA-CQSZACIVSA-N -1 1 358.442 2.008 20 0 FEADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cnccc2C)ccc1OC ZINC000269728074 550220734 /nfs/dbraw/zinc/22/07/34/550220734.db2.gz XINLSYMBOXXQLD-UHFFFAOYSA-N -1 1 363.439 2.226 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000270000209 550242174 /nfs/dbraw/zinc/24/21/74/550242174.db2.gz OIARSUPZAOMAIM-QGZVFWFLSA-N -1 1 372.469 2.254 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)co1 ZINC000270138973 550251582 /nfs/dbraw/zinc/25/15/82/550251582.db2.gz ZOZWQRCQGQZLLF-INIZCTEOSA-N -1 1 362.451 2.425 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCC(=O)c1cccc(F)c1 ZINC000271000601 550330457 /nfs/dbraw/zinc/33/04/57/550330457.db2.gz KCIDOGPGVOQKID-UHFFFAOYSA-N -1 1 370.384 2.058 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OC)c1O ZINC000494118293 561462924 /nfs/dbraw/zinc/46/29/24/561462924.db2.gz BQLTWQNDGWYFEK-UHFFFAOYSA-N -1 1 350.396 2.415 20 0 FEADMM CC(C)c1nnc(CCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)o1 ZINC000271497569 550380028 /nfs/dbraw/zinc/38/00/28/550380028.db2.gz JUKWXFXLFOFQDH-UHFFFAOYSA-N -1 1 370.406 2.275 20 0 FEADMM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000494536579 561471216 /nfs/dbraw/zinc/47/12/16/561471216.db2.gz LRHHIHYVZKSVJE-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)[n-]1 ZINC000274913866 550564573 /nfs/dbraw/zinc/56/45/73/550564573.db2.gz LIIVKHDYNZCGAT-CMPLNLGQSA-N -1 1 361.423 2.317 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000274913866 550564576 /nfs/dbraw/zinc/56/45/76/550564576.db2.gz LIIVKHDYNZCGAT-CMPLNLGQSA-N -1 1 361.423 2.317 20 0 FEADMM COc1ccc(Br)c(C[NH2+][C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000277169316 550639361 /nfs/dbraw/zinc/63/93/61/550639361.db2.gz DQBMLYHZIDBFRF-OAHLLOKOSA-N -1 1 371.275 2.486 20 0 FEADMM COc1ccccc1N1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1 ZINC000277268205 550649671 /nfs/dbraw/zinc/64/96/71/550649671.db2.gz AHLFPKISYCDYDS-UHFFFAOYSA-N -1 1 355.373 2.068 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C)CC1 ZINC000277727959 550707144 /nfs/dbraw/zinc/70/71/44/550707144.db2.gz HNWQYSONRURYNG-GFCCVEGCSA-N -1 1 358.467 2.449 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCS[C@@H](C)CC1 ZINC000277906240 550727616 /nfs/dbraw/zinc/72/76/16/550727616.db2.gz RPOWQOOCGZERJG-LBPRGKRZSA-N -1 1 358.467 2.449 20 0 FEADMM CCC[C@@]1(CO)CCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000278275998 550768070 /nfs/dbraw/zinc/76/80/70/550768070.db2.gz ZJGNDVRFOWKPAQ-FQEVSTJZSA-N -1 1 370.453 2.249 20 0 FEADMM CC(C)n1ncnc1CS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000278705781 550813164 /nfs/dbraw/zinc/81/31/64/550813164.db2.gz JRKGDLAORCPQFD-UHFFFAOYSA-N -1 1 372.454 2.107 20 0 FEADMM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000278804211 550823606 /nfs/dbraw/zinc/82/36/06/550823606.db2.gz ZAKXJWMYQUJTQX-GDBMZVCRSA-N -1 1 359.422 2.031 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1CC(=O)[O-] ZINC000279902494 550941451 /nfs/dbraw/zinc/94/14/51/550941451.db2.gz QOKPOLOCXHEWFF-UHFFFAOYSA-N -1 1 365.411 2.037 20 0 FEADMM COc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1O ZINC000280099150 550960902 /nfs/dbraw/zinc/96/09/02/550960902.db2.gz XKUDPKDVDYEWKY-UHFFFAOYSA-N -1 1 356.382 2.337 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000280177347 550968164 /nfs/dbraw/zinc/96/81/64/550968164.db2.gz CIKRYMOUYZGTIU-OCCSQVGLSA-N -1 1 366.414 2.393 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000280197138 550969987 /nfs/dbraw/zinc/96/99/87/550969987.db2.gz WECAPHYKPHKTMG-SJKOYZFVSA-N -1 1 368.437 2.121 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ncn(C)n1 ZINC000280572125 551008983 /nfs/dbraw/zinc/00/89/83/551008983.db2.gz LTAWVIDNVNVBBV-LURJTMIESA-N -1 1 353.206 2.301 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)[C@@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000280621488 551014319 /nfs/dbraw/zinc/01/43/19/551014319.db2.gz RSTUIVPOEGPUNY-BDAKNGLRSA-N -1 1 372.245 2.056 20 0 FEADMM O=C(NCc1cccc(CN2CCOCC2)c1)c1c(F)ccc([O-])c1F ZINC000280773918 551030828 /nfs/dbraw/zinc/03/08/28/551030828.db2.gz MUGOXAMVHNNRIU-UHFFFAOYSA-N -1 1 362.376 2.433 20 0 FEADMM Cc1ccccc1C(=O)NC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000280801168 551033572 /nfs/dbraw/zinc/03/35/72/551033572.db2.gz PLXSVLQPFBSVDK-UHFFFAOYSA-N -1 1 366.417 2.304 20 0 FEADMM CCN(C[C@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)C1)CC(F)(F)F ZINC000280972037 551050858 /nfs/dbraw/zinc/05/08/58/551050858.db2.gz KNUWMVMLSPKBSO-GFCCVEGCSA-N -1 1 358.360 2.308 20 0 FEADMM CC(C)c1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nn1C ZINC000281750414 551138823 /nfs/dbraw/zinc/13/88/23/551138823.db2.gz PLXZVDZQINIJKS-UHFFFAOYSA-N -1 1 360.380 2.074 20 0 FEADMM COc1ccsc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281771116 551141541 /nfs/dbraw/zinc/14/15/41/551141541.db2.gz QWZOGORAURNNAU-UHFFFAOYSA-N -1 1 350.362 2.287 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c1 ZINC000281783861 551142792 /nfs/dbraw/zinc/14/27/92/551142792.db2.gz DNKXJOZWMISXGO-UHFFFAOYSA-N -1 1 369.464 2.431 20 0 FEADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCC1 ZINC000497497984 561502116 /nfs/dbraw/zinc/50/21/16/561502116.db2.gz BUJOPPZKTQCGAS-UHFFFAOYSA-N -1 1 360.391 2.062 20 0 FEADMM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)cn1 ZINC000282842511 551276757 /nfs/dbraw/zinc/27/67/57/551276757.db2.gz MXJJSLNUOUHAKF-UHFFFAOYSA-N -1 1 374.788 2.380 20 0 FEADMM C[C@@H](CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccc(F)cc1F ZINC000282854060 551278011 /nfs/dbraw/zinc/27/80/11/551278011.db2.gz GNTUAVJTIUPOKN-WDEREUQCSA-N -1 1 350.369 2.276 20 0 FEADMM O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282862529 551279113 /nfs/dbraw/zinc/27/91/13/551279113.db2.gz HPGFTLDREODRHT-LLVKDONJSA-N -1 1 373.800 2.426 20 0 FEADMM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282928905 551286554 /nfs/dbraw/zinc/28/65/54/551286554.db2.gz OOQHCYLBEVQERS-OAHLLOKOSA-N -1 1 363.421 2.488 20 0 FEADMM O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282941924 551287699 /nfs/dbraw/zinc/28/76/99/551287699.db2.gz PSORERKNZDJSKV-SECBINFHSA-N -1 1 361.452 2.303 20 0 FEADMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000283041470 551302150 /nfs/dbraw/zinc/30/21/50/551302150.db2.gz GQWMLLVXXAHNCO-AJKCYIRKSA-N -1 1 352.394 2.101 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000283044831 551302590 /nfs/dbraw/zinc/30/25/90/551302590.db2.gz ZRZCHSDDADUPAD-HNNXBMFYSA-N -1 1 358.442 2.082 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)c(C)c2)c1 ZINC000498497557 561525949 /nfs/dbraw/zinc/52/59/49/561525949.db2.gz YWLKMZAKOWQIQJ-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284856085 551651590 /nfs/dbraw/zinc/65/15/90/551651590.db2.gz DDNMCYJPKAPYHR-YUTCNCBUSA-N -1 1 370.243 2.157 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000285381917 551746682 /nfs/dbraw/zinc/74/66/82/551746682.db2.gz IWRPPLSWVRZBFU-UHFFFAOYSA-N -1 1 358.435 2.020 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000285877906 551822452 /nfs/dbraw/zinc/82/24/52/551822452.db2.gz BYVLTTQSIPXRLU-INIZCTEOSA-N -1 1 368.441 2.461 20 0 FEADMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000286982417 551947804 /nfs/dbraw/zinc/94/78/04/551947804.db2.gz ADSUDGQZJNUDGL-UKWGHVSLSA-N -1 1 370.360 2.481 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1 ZINC000286990565 551948791 /nfs/dbraw/zinc/94/87/91/551948791.db2.gz APPRUCAVXZRHHP-AFQVUOBFSA-N -1 1 357.458 2.135 20 0 FEADMM C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000287202537 551975870 /nfs/dbraw/zinc/97/58/70/551975870.db2.gz 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C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](C)S1(=O)=O ZINC000291120311 552589198 /nfs/dbraw/zinc/58/91/98/552589198.db2.gz CLJJTVVENVICDV-DTORHVGOSA-N -1 1 351.346 2.059 20 0 FEADMM CC(C)Cn1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000291120494 552589680 /nfs/dbraw/zinc/58/96/80/552589680.db2.gz NIIQNKYZNMIAQF-GFCCVEGCSA-N -1 1 360.380 2.070 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H](CO)C1 ZINC000291422426 552623047 /nfs/dbraw/zinc/62/30/47/552623047.db2.gz KRNIKBGMDRMPJL-VIFPVBQESA-N -1 1 351.200 2.157 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000291992327 552682280 /nfs/dbraw/zinc/68/22/80/552682280.db2.gz WLSHTNGBZGPMNH-CYBMUJFWSA-N -1 1 366.483 2.188 20 0 FEADMM Cc1ccc(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1C(=O)[O-] ZINC000292007223 552683920 /nfs/dbraw/zinc/68/39/20/552683920.db2.gz YFIWBTJZYGKHRY-ZDUSSCGKSA-N -1 1 366.483 2.188 20 0 FEADMM COCC1(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CCOCC1 ZINC000292173889 552701061 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Cc1nc(-c2ccc(N[C@H](C)CCS(C)(=O)=O)nc2)[n-]c(=O)c1C ZINC000301649518 553668994 /nfs/dbraw/zinc/66/89/94/553668994.db2.gz FVCFJGGGJYRRBC-SNVBAGLBSA-N -1 1 350.444 2.096 20 0 FEADMM COC(=O)[C@@H]1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C[C@@H]1C ZINC000302790082 553733061 /nfs/dbraw/zinc/73/30/61/553733061.db2.gz YFGZQTZVTHNNHS-XHDPSFHLSA-N -1 1 356.426 2.496 20 0 FEADMM COCC(C)(C)CNC(=O)c1cc(I)ccc1[O-] ZINC000311126662 553754199 /nfs/dbraw/zinc/75/41/99/553754199.db2.gz YWNAFUYZDBBCDZ-UHFFFAOYSA-N -1 1 363.195 2.399 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1 ZINC000320606759 553765483 /nfs/dbraw/zinc/76/54/83/553765483.db2.gz ZAOQWCWKTGQCNF-UHFFFAOYSA-N -1 1 355.397 2.046 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000324177292 553771552 /nfs/dbraw/zinc/77/15/52/553771552.db2.gz WMXLBNUGSAEKKB-HNNXBMFYSA-N -1 1 361.225 2.355 20 0 FEADMM CCNC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C)c1 ZINC000324586892 553772536 /nfs/dbraw/zinc/77/25/36/553772536.db2.gz PKAHVPMGRRHYFP-UHFFFAOYSA-N -1 1 368.436 2.305 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000326924319 553784302 /nfs/dbraw/zinc/78/43/02/553784302.db2.gz SMIRVCZNLAIYCK-ZDUSSCGKSA-N -1 1 355.460 2.368 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000327749143 553790920 /nfs/dbraw/zinc/79/09/20/553790920.db2.gz GWPWTDUPSKQNEO-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM C[C@H]1C[C@]1(NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000505760910 561679575 /nfs/dbraw/zinc/67/95/75/561679575.db2.gz ZXIFAHBHRSLZAL-BBATYDOGSA-N -1 1 359.813 2.222 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000329466235 553952077 /nfs/dbraw/zinc/95/20/77/553952077.db2.gz RWBYEZWJEUIFBJ-LJQANCHMSA-N -1 1 370.453 2.012 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000506946024 561712359 /nfs/dbraw/zinc/71/23/59/561712359.db2.gz QTCIIZDRTWTLDY-UHFFFAOYSA-N -1 1 359.354 2.398 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2ccc3c(c2)OC(F)(F)O3)n[n-]1 ZINC000506946024 561712360 /nfs/dbraw/zinc/71/23/60/561712360.db2.gz QTCIIZDRTWTLDY-UHFFFAOYSA-N -1 1 359.354 2.398 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000329748795 553998948 /nfs/dbraw/zinc/99/89/48/553998948.db2.gz FRAZFOGVUIHYFN-WBVHZDCISA-N -1 1 368.437 2.123 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)c(C)o1 ZINC000507561185 561733224 /nfs/dbraw/zinc/73/32/24/561733224.db2.gz AANVHONOMQYPRZ-UHFFFAOYSA-N -1 1 353.352 2.182 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2CCCC2)c(F)c1 ZINC000330530595 554134469 /nfs/dbraw/zinc/13/44/69/554134469.db2.gz RLMSTPZWIOOVOR-UHFFFAOYSA-N -1 1 364.464 2.056 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2c(C)cnn2C)c(F)cc1C ZINC000508187121 561754325 /nfs/dbraw/zinc/75/43/25/561754325.db2.gz KPSXFJYSPQBZKQ-UHFFFAOYSA-N -1 1 355.391 2.154 20 0 FEADMM COc1cc(NC(=O)C2(OC)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000330552623 554137209 /nfs/dbraw/zinc/13/72/09/554137209.db2.gz NUOUHXUXWIUORV-UHFFFAOYSA-N -1 1 356.444 2.355 20 0 FEADMM CCN(CC)C(=O)N1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000331261545 554238146 /nfs/dbraw/zinc/23/81/46/554238146.db2.gz CMTOLXBSGOWDBJ-UHFFFAOYSA-N -1 1 369.849 2.274 20 0 FEADMM COCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508892510 561776926 /nfs/dbraw/zinc/77/69/26/561776926.db2.gz GQHZVBAELBUTDI-UHFFFAOYSA-N -1 1 356.227 2.095 20 0 FEADMM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000509181289 561788834 /nfs/dbraw/zinc/78/88/34/561788834.db2.gz VPRWRRJORQLUPV-UHFFFAOYSA-N -1 1 357.819 2.313 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1C ZINC000509576128 561805988 /nfs/dbraw/zinc/80/59/88/561805988.db2.gz DFRKVLJMEFOWGF-UHFFFAOYSA-N -1 1 373.438 2.344 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)C[C@@H](C)O ZINC000510008293 561821634 /nfs/dbraw/zinc/82/16/34/561821634.db2.gz QMZSYGCZWOTEBE-HTQZYQBOSA-N -1 1 370.254 2.218 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc(-c3cnn(C)c3)nc2C)n1 ZINC000509980268 561820533 /nfs/dbraw/zinc/82/05/33/561820533.db2.gz ACWQDEKAOABSQB-UHFFFAOYSA-N -1 1 360.399 2.004 20 0 FEADMM CC1(C)CC[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])c2ccccc21 ZINC000509980096 561820550 /nfs/dbraw/zinc/82/05/50/561820550.db2.gz XHJLPRMQLBISSM-OAHLLOKOSA-N -1 1 353.422 2.446 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC(c3c[nH]cn3)CC2)c(=O)[n-]1 ZINC000333026771 554560761 /nfs/dbraw/zinc/56/07/61/554560761.db2.gz KZPVAZLRHVQWLF-UHFFFAOYSA-N -1 1 361.471 2.274 20 0 FEADMM COc1cc(-c2noc(CCCCC(N)=O)n2)cc(Br)c1[O-] ZINC000350564922 554797899 /nfs/dbraw/zinc/79/78/99/554797899.db2.gz GARBOPGNKGMFEH-UHFFFAOYSA-N -1 1 370.203 2.411 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccc(F)c(F)c3)no2)co1 ZINC000350809511 554815292 /nfs/dbraw/zinc/81/52/92/554815292.db2.gz SVPXPHQCQKGNAC-UHFFFAOYSA-N -1 1 355.322 2.107 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2cocn2)no1 ZINC000350878646 554819642 /nfs/dbraw/zinc/81/96/42/554819642.db2.gz OFRNYSUXQXEULJ-UHFFFAOYSA-N -1 1 350.338 2.376 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1 ZINC000363092777 555028708 /nfs/dbraw/zinc/02/87/08/555028708.db2.gz MIUQZPWWLCAERK-UHFFFAOYSA-N -1 1 372.450 2.472 20 0 FEADMM C[N@H+]1CCC[C@H](CN=c2ccc(C(N)=O)n[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000363305838 555074866 /nfs/dbraw/zinc/07/48/66/555074866.db2.gz DUBSMFZQSQXGKX-CXAGYDPISA-N -1 1 359.861 2.724 20 0 FEADMM Cc1cc2c[nH]nc2c(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000511880085 561883698 /nfs/dbraw/zinc/88/36/98/561883698.db2.gz NWECPMRKDSPNTA-UHFFFAOYSA-N -1 1 350.382 2.166 20 0 FEADMM CCOCCOCc1cccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000511969113 561887344 /nfs/dbraw/zinc/88/73/44/561887344.db2.gz XNOBJLYSAMPPFH-UHFFFAOYSA-N -1 1 370.409 2.479 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCC(C)(C)c1ccc3c(c1)OCO3)c2=O ZINC000512046783 561890190 /nfs/dbraw/zinc/89/01/90/561890190.db2.gz OPAFSGVXHUPMJC-UHFFFAOYSA-N -1 1 368.393 2.110 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC([C@@H]3CCOC3)CC2)c(=O)[n-]1 ZINC000363745585 555177309 /nfs/dbraw/zinc/17/73/09/555177309.db2.gz JDMRFJYXZGSUCS-CQSZACIVSA-N -1 1 365.499 2.420 20 0 FEADMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512081940 561891544 /nfs/dbraw/zinc/89/15/44/561891544.db2.gz LKPIEUIGWLPWDH-DNVCBOLYSA-N -1 1 352.394 2.143 20 0 FEADMM Cc1oc(C)c(S(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)c1C(=O)[O-] ZINC000364119074 555253463 /nfs/dbraw/zinc/25/34/63/555253463.db2.gz IXZJWRMYAPGVAC-CQSZACIVSA-N -1 1 370.471 2.234 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)CCCCCS(N)(=O)=O)[nH][n-]2)s1 ZINC000616811789 555341838 /nfs/dbraw/zinc/34/18/38/555341838.db2.gz XACULTFGSTVVLQ-UHFFFAOYSA-N -1 1 356.473 2.234 20 0 FEADMM CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364627557 555357105 /nfs/dbraw/zinc/35/71/05/555357105.db2.gz FYPPZJHJEAFLJW-YOEHRIQHSA-N -1 1 356.422 2.037 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)c1 ZINC000512560515 561908900 /nfs/dbraw/zinc/90/89/00/561908900.db2.gz RCNFLBKQURXMDU-UHFFFAOYSA-N -1 1 369.356 2.451 20 0 FEADMM Cc1nc(-c2ccc(NCc3cccc(-n4cncn4)c3)nc2)[n-]c(=O)c1C ZINC000364743219 555391603 /nfs/dbraw/zinc/39/16/03/555391603.db2.gz OORSDZBDSXRCCQ-UHFFFAOYSA-N -1 1 373.420 3.054 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1CCC(OC(F)F)CC1 ZINC000512579633 561909513 /nfs/dbraw/zinc/90/95/13/561909513.db2.gz WKDXURXHJAEGNK-UHFFFAOYSA-N -1 1 368.384 2.466 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000365223053 555515209 /nfs/dbraw/zinc/51/52/09/555515209.db2.gz SYXGKFDEVNIZAU-TZMCWYRMSA-N -1 1 363.462 2.449 20 0 FEADMM COc1ccc(N2C[C@@H](NC(=O)c3csc(=NC4CC4)[n-]3)CC2=O)cc1 ZINC000617842518 555521431 /nfs/dbraw/zinc/52/14/31/555521431.db2.gz PDYLBGGEOHZFAB-LBPRGKRZSA-N -1 1 372.450 2.261 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)cs1 ZINC000365329435 555544464 /nfs/dbraw/zinc/54/44/64/555544464.db2.gz XWIWSKYOEAMYCU-UHFFFAOYSA-N -1 1 350.381 2.032 20 0 FEADMM CCn1ccc(=NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)[nH]1 ZINC000618040315 555560160 /nfs/dbraw/zinc/56/01/60/555560160.db2.gz IMNSJDGMZOGBJY-UHFFFAOYSA-N -1 1 352.398 2.340 20 0 FEADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@@H](c2ccsc2)O1 ZINC000365758787 555661680 /nfs/dbraw/zinc/66/16/80/555661680.db2.gz FVJSHTKFEAAANE-OPQHZGNWSA-N -1 1 357.439 2.397 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCC[C@@H]3CC)CC2)n1 ZINC000365767567 555663307 /nfs/dbraw/zinc/66/33/07/555663307.db2.gz CLEWSZZGAURYPZ-GXTWGEPZSA-N -1 1 363.462 2.449 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c1 ZINC000513800652 561950305 /nfs/dbraw/zinc/95/03/05/561950305.db2.gz HNBWQYWXNTVSHE-UHFFFAOYSA-N -1 1 365.407 2.334 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc(C)co3)c2)o1 ZINC000366131755 555760788 /nfs/dbraw/zinc/76/07/88/555760788.db2.gz MUOCXGMZANFDQO-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM Cc1nc(SCCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n[nH]1 ZINC000366320635 555811204 /nfs/dbraw/zinc/81/12/04/555811204.db2.gz GDMRIVRUKYTONC-UHFFFAOYSA-N -1 1 374.466 2.422 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000513848424 561952269 /nfs/dbraw/zinc/95/22/69/561952269.db2.gz HFURRTIREYPRQJ-LLVKDONJSA-N -1 1 357.771 2.132 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)c1 ZINC000513847788 561952290 /nfs/dbraw/zinc/95/22/90/561952290.db2.gz SUWXJPDKCVGBQB-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM CCC[C@@H](CC)S(=O)(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000366438449 555843680 /nfs/dbraw/zinc/84/36/80/555843680.db2.gz XXIYCTUUNYLFCJ-CYBMUJFWSA-N -1 1 372.491 2.069 20 0 FEADMM C/C=C/c1ccc(OCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(OC)c1 ZINC000366658429 555901503 /nfs/dbraw/zinc/90/15/03/555901503.db2.gz TVEWKAFSOOOQML-KQIUPUNMSA-N -1 1 357.414 2.026 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)co1 ZINC000366814839 555941872 /nfs/dbraw/zinc/94/18/72/555941872.db2.gz NKWJVWMWIOOSBV-CQSZACIVSA-N -1 1 370.377 2.443 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C)cc1-c1nnc[nH]1 ZINC000367279786 556006612 /nfs/dbraw/zinc/00/66/12/556006612.db2.gz AKDHOWGVQHIGEB-UHFFFAOYSA-N -1 1 366.834 2.276 20 0 FEADMM COc1ccc(NC(=O)N2C[C@H]3CCCC[C@H]32)cc1[N-]S(C)(=O)=O ZINC000368124476 556224931 /nfs/dbraw/zinc/22/49/31/556224931.db2.gz HTSIQHLYMAASPG-BXUZGUMPSA-N -1 1 353.444 2.473 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@](O)(c2ccccc2)CC1 ZINC000368170441 556236804 /nfs/dbraw/zinc/23/68/04/556236804.db2.gz FEQPSOWXLGXAEG-OAQYLSRUSA-N -1 1 363.417 2.437 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000515201280 562000385 /nfs/dbraw/zinc/00/03/85/562000385.db2.gz JEUCGWWPVBRJIU-UHFFFAOYSA-N -1 1 352.387 2.385 20 0 FEADMM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000368399597 556297335 /nfs/dbraw/zinc/29/73/35/556297335.db2.gz KMEZGEUGIFDLTD-CYBMUJFWSA-N -1 1 357.443 2.766 20 0 FEADMM O=S(=O)(CCc1ncc(-c2ccccc2)o1)c1nc2ncncc2[n-]1 ZINC000368412858 556301227 /nfs/dbraw/zinc/30/12/27/556301227.db2.gz OKBOVEXWIUGPJE-UHFFFAOYSA-N -1 1 355.379 2.024 20 0 FEADMM O=S(=O)(CCc1ncc(-c2ccccc2)o1)c1nc2cncnc2[n-]1 ZINC000368412858 556301230 /nfs/dbraw/zinc/30/12/30/556301230.db2.gz OKBOVEXWIUGPJE-UHFFFAOYSA-N -1 1 355.379 2.024 20 0 FEADMM O=S(=O)(CCc1ncc(-c2ccccc2)o1)c1nc2c[n-]cnc-2n1 ZINC000368412858 556301231 /nfs/dbraw/zinc/30/12/31/556301231.db2.gz OKBOVEXWIUGPJE-UHFFFAOYSA-N -1 1 355.379 2.024 20 0 FEADMM Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1nc(Br)ccc1[O-] ZINC000368541267 556339819 /nfs/dbraw/zinc/33/98/19/556339819.db2.gz YADIMWJEKDYQMO-MRVPVSSYSA-N -1 1 351.204 2.342 20 0 FEADMM O=C(CCc1ccccn1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368638304 556370559 /nfs/dbraw/zinc/37/05/59/556370559.db2.gz YLUHNBKONRYARM-OAHLLOKOSA-N -1 1 360.780 2.226 20 0 FEADMM CO[C@@H]1Cc2ccccc2N(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000369122593 556510427 /nfs/dbraw/zinc/51/04/27/556510427.db2.gz RXOFLYYVFKFAAZ-OAHLLOKOSA-N -1 1 366.421 2.199 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)COc3cccc(C)c3)CC2)n1 ZINC000369370627 556582727 /nfs/dbraw/zinc/58/27/27/556582727.db2.gz QIPSAGYZCIIUSF-UHFFFAOYSA-N -1 1 372.425 2.075 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cnn3c2CCCC3)n[n-]1 ZINC000516127332 562031941 /nfs/dbraw/zinc/03/19/41/562031941.db2.gz CJUPMIVGWFTXRM-CYBMUJFWSA-N -1 1 374.445 2.031 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cnn3c2CCCC3)[n-]1 ZINC000516127332 562031943 /nfs/dbraw/zinc/03/19/43/562031943.db2.gz CJUPMIVGWFTXRM-CYBMUJFWSA-N -1 1 374.445 2.031 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cnn3c2CCCC3)n1 ZINC000516127332 562031944 /nfs/dbraw/zinc/03/19/44/562031944.db2.gz CJUPMIVGWFTXRM-CYBMUJFWSA-N -1 1 374.445 2.031 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NC[C@H]3SCCc4ccccc43)ccnc1-2 ZINC000806491259 674378758 /nfs/dbraw/zinc/37/87/58/674378758.db2.gz GLOZXQJFVLNHAY-MRXNPFEDSA-N -1 1 353.451 2.494 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000369731974 556679743 /nfs/dbraw/zinc/67/97/43/556679743.db2.gz XZPLCJKTDFCEQX-UHFFFAOYSA-N -1 1 370.797 2.107 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)co1 ZINC000369785982 556695027 /nfs/dbraw/zinc/69/50/27/556695027.db2.gz CMRWMQAKBVGQAO-QGZVFWFLSA-N -1 1 366.414 2.131 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)cc1C(=O)[O-] ZINC000370461325 556879473 /nfs/dbraw/zinc/87/94/73/556879473.db2.gz NRDAMTINDZYVPZ-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1c(F)ccc([O-])c1F ZINC000516814389 562059079 /nfs/dbraw/zinc/05/90/79/562059079.db2.gz AEBJBRKFRACOOU-UHFFFAOYSA-N -1 1 360.316 2.039 20 0 FEADMM CCCC[C@H](NC(N)=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000370735355 556953330 /nfs/dbraw/zinc/95/33/30/556953330.db2.gz SICHWCOMSNHGEK-INIZCTEOSA-N -1 1 361.442 2.041 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])N1CCCC1 ZINC000517011221 562070956 /nfs/dbraw/zinc/07/09/56/562070956.db2.gz KPNATGTVCYHWDH-SNVBAGLBSA-N -1 1 352.378 2.174 20 0 FEADMM O=C(NC[C@@H](O)C1CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370925604 557018299 /nfs/dbraw/zinc/01/82/99/557018299.db2.gz WUKHQSDXDIRTRU-QZTJIDSGSA-N -1 1 368.433 2.037 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000517235711 562081631 /nfs/dbraw/zinc/08/16/31/562081631.db2.gz QSOPYQGMIKGNPD-PBHICJAKSA-N -1 1 370.453 2.470 20 0 FEADMM CC(C)c1nccc(C2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)n1 ZINC000371227520 557113048 /nfs/dbraw/zinc/11/30/48/557113048.db2.gz DKFDJTWOOAGRCO-UHFFFAOYSA-N -1 1 352.442 2.316 20 0 FEADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C)[nH+]cc3C)cc2C[C@H]1C ZINC000371235775 557115456 /nfs/dbraw/zinc/11/54/56/557115456.db2.gz MFOPCIYNGWXBQF-CYBMUJFWSA-N -1 1 359.451 2.219 20 0 FEADMM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CCc3nc[nH]c3C2)n1 ZINC000371350181 557156107 /nfs/dbraw/zinc/15/61/07/557156107.db2.gz QLFIVMDYZSQFTD-ZDUSSCGKSA-N -1 1 351.410 2.151 20 0 FEADMM CN(C[C@@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1)S(C)(=O)=O ZINC000517759434 562097585 /nfs/dbraw/zinc/09/75/85/562097585.db2.gz WTTVZEVBFRYYHT-LBPRGKRZSA-N -1 1 374.890 2.142 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(OC)c(F)c2)o1 ZINC000518067991 562103751 /nfs/dbraw/zinc/10/37/51/562103751.db2.gz FRVNMGWCMZWDBE-SECBINFHSA-N -1 1 357.359 2.253 20 0 FEADMM Cc1cn2cc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)ccc2n1 ZINC000517880716 562099752 /nfs/dbraw/zinc/09/97/52/562099752.db2.gz FGYNRBABNHXQFE-UHFFFAOYSA-N -1 1 350.382 2.189 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc2ccccc2n1CC(F)(F)F ZINC000518466407 562112165 /nfs/dbraw/zinc/11/21/65/562112165.db2.gz OOBUGIAAEABJLW-UHFFFAOYSA-N -1 1 350.304 2.136 20 0 FEADMM CCN(CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccccc1C ZINC000518618106 562115482 /nfs/dbraw/zinc/11/54/82/562115482.db2.gz FBPRPEKSHCZMPB-UHFFFAOYSA-N -1 1 366.439 2.179 20 0 FEADMM CC(C)OCCS(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372148167 557393224 /nfs/dbraw/zinc/39/32/24/557393224.db2.gz CPOFPRBERFYOFR-UHFFFAOYSA-N -1 1 355.456 2.042 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000372149090 557393672 /nfs/dbraw/zinc/39/36/72/557393672.db2.gz HZDCPIRDVPPBHY-UHFFFAOYSA-N -1 1 366.483 2.408 20 0 FEADMM O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000372170063 557398945 /nfs/dbraw/zinc/39/89/45/557398945.db2.gz QXLVZGUDPOBYSN-SNVBAGLBSA-N -1 1 361.711 2.086 20 0 FEADMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000372456868 557475712 /nfs/dbraw/zinc/47/57/12/557475712.db2.gz HRMMPJDSXXHTBT-BZUAXINKSA-N -1 1 365.478 2.255 20 0 FEADMM COc1cc2ncc(C(=O)N=c3cc(C4CC4)[nH][nH]3)c([O-])c2c(OC)c1 ZINC000627770218 557492062 /nfs/dbraw/zinc/49/20/62/557492062.db2.gz KVUQKWJXNGYEIV-UHFFFAOYSA-N -1 1 354.366 2.398 20 0 FEADMM CN1CCC[C@@]2(CCN(C(=O)c3cc(Br)ccc3[O-])C2)C1=O ZINC000372544170 557499641 /nfs/dbraw/zinc/49/96/41/557499641.db2.gz GCKJRIWTSDCKKA-INIZCTEOSA-N -1 1 367.243 2.239 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C)c(OC)cc2Cl)o1 ZINC000519667029 562139150 /nfs/dbraw/zinc/13/91/50/562139150.db2.gz IDYCOLRAZNEDNC-UHFFFAOYSA-N -1 1 358.803 2.410 20 0 FEADMM NC(=O)c1ccccc1CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372835155 557571904 /nfs/dbraw/zinc/57/19/04/557571904.db2.gz HMZPNHWZVGSZGH-UHFFFAOYSA-N -1 1 366.417 2.155 20 0 FEADMM Cc1c([C@@H]2[C@@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC(=O)N2C)cnn1C ZINC000373065276 557620175 /nfs/dbraw/zinc/62/01/75/557620175.db2.gz FRSPMAWAJXPHIF-ZBEGNZNMSA-N -1 1 362.817 2.246 20 0 FEADMM C[C@H]1NC(c2nc(-c3ccc([O-])c(F)c3)no2)=NN(c2ccccc2)C1=O ZINC000373186243 557646260 /nfs/dbraw/zinc/64/62/60/557646260.db2.gz DHQOOFCIRPEBJB-SNVBAGLBSA-N -1 1 367.340 2.268 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CCC(=O)NC34CCC4)nc2)[n-]c(=O)c1C ZINC000374571243 557901077 /nfs/dbraw/zinc/90/10/77/557901077.db2.gz PSDAAGUKMSSMGQ-CQSZACIVSA-N -1 1 353.426 2.474 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCc2ccccc2OC1 ZINC000374589546 557903525 /nfs/dbraw/zinc/90/35/25/557903525.db2.gz BLOCUEUHGUEWRW-HNNXBMFYSA-N -1 1 366.421 2.104 20 0 FEADMM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C2 ZINC000374650376 557912050 /nfs/dbraw/zinc/91/20/50/557912050.db2.gz XKQKIPMMXIUOBJ-BUXKBTBVSA-N -1 1 361.442 2.203 20 0 FEADMM COC(=O)[C@]12CCC[C@@H]1CN(C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C2 ZINC000374650375 557912163 /nfs/dbraw/zinc/91/21/63/557912163.db2.gz XKQKIPMMXIUOBJ-BLVKFPJESA-N -1 1 361.442 2.203 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCN[C@@H](c3ccccc3Cl)C1)c2=O ZINC000374872135 557944279 /nfs/dbraw/zinc/94/42/79/557944279.db2.gz GGQKCKGIIVQCAK-OAHLLOKOSA-N -1 1 371.828 2.114 20 0 FEADMM CCCN1C[C@H](C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1=O ZINC000521223760 562172202 /nfs/dbraw/zinc/17/22/02/562172202.db2.gz GWKWRWPWPQUSOI-NSHDSACASA-N -1 1 354.403 2.109 20 0 FEADMM COc1ccccc1OC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000374994527 557961070 /nfs/dbraw/zinc/96/10/70/557961070.db2.gz LQZDOVDUEFZXMZ-UHFFFAOYSA-N -1 1 356.309 2.102 20 0 FEADMM CCCCOc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(Cl)c1 ZINC000375232431 557995863 /nfs/dbraw/zinc/99/58/63/557995863.db2.gz BFDITZBVOHLTKG-CQSZACIVSA-N -1 1 365.821 2.246 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(Cl)c1[O-] ZINC000376304287 558155065 /nfs/dbraw/zinc/15/50/65/558155065.db2.gz DIPLWVJISJQWML-OLZOCXBDSA-N -1 1 354.834 2.037 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCN(C(=O)N2CCOCC2)CC1 ZINC000376539760 558187249 /nfs/dbraw/zinc/18/72/49/558187249.db2.gz ITJLBVRKYPCIEB-UHFFFAOYSA-N -1 1 367.833 2.148 20 0 FEADMM Cc1ccc(N2CCCN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CC2)cc1 ZINC000376589699 558194678 /nfs/dbraw/zinc/19/46/78/558194678.db2.gz RXTIFZHDNONDKK-NKFKGCMQSA-N -1 1 364.453 2.394 20 0 FEADMM COc1cc(NC(=O)[C@@H]2COc3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000522201913 562194001 /nfs/dbraw/zinc/19/40/01/562194001.db2.gz XCZKSUKVTSFNPC-CYBMUJFWSA-N -1 1 362.407 2.181 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3CC(C)(C)O[C@]4(CCCOC4)C3)c2=O)[nH+]1 ZINC000377337967 558319108 /nfs/dbraw/zinc/31/91/08/558319108.db2.gz RQWPYKCTMQUNPT-HXUWFJFHSA-N -1 1 371.437 2.444 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(C)(C)O[C@]3(CCCOC3)C1)c2=O ZINC000377337967 558319112 /nfs/dbraw/zinc/31/91/12/558319112.db2.gz RQWPYKCTMQUNPT-HXUWFJFHSA-N -1 1 371.437 2.444 20 0 FEADMM O=C(NC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1)c1ccncc1 ZINC000377541276 558360834 /nfs/dbraw/zinc/36/08/34/558360834.db2.gz LPERHRVLJGYXMU-UHFFFAOYSA-N -1 1 361.348 2.100 20 0 FEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1cnccc1-n1ccnn1 ZINC000377563816 558365514 /nfs/dbraw/zinc/36/55/14/558365514.db2.gz MPYNXGBYPAKECX-UHFFFAOYSA-N -1 1 367.793 2.397 20 0 FEADMM O=C(CNC(=O)c1c(F)ccc([O-])c1F)N1CCc2sccc2C1 ZINC000377626340 558379963 /nfs/dbraw/zinc/37/99/63/558379963.db2.gz KJHNPJYDDICEOS-UHFFFAOYSA-N -1 1 352.362 2.047 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000522545869 562199640 /nfs/dbraw/zinc/19/96/40/562199640.db2.gz LKCOLFZNCSNHJX-SWLSCSKDSA-N -1 1 356.426 2.169 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000522855156 562204799 /nfs/dbraw/zinc/20/47/99/562204799.db2.gz SGFFKMXCPZAQCI-UHFFFAOYSA-N -1 1 357.805 2.443 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1C(=O)[O-] ZINC000391758757 558614609 /nfs/dbraw/zinc/61/46/09/558614609.db2.gz WHMSXWBVUHFTGB-UHFFFAOYSA-N -1 1 364.301 2.423 20 0 FEADMM C[C@]1(CNC(=O)c2cc(I)ccc2[O-])CCOC1 ZINC000397108160 558623980 /nfs/dbraw/zinc/62/39/80/558623980.db2.gz AQTRUNPWEMPFFZ-CYBMUJFWSA-N -1 1 361.179 2.153 20 0 FEADMM C[C@@H]1CC[C@@H](CNC(=O)c2cc(I)ccc2[O-])O1 ZINC000398080572 558626212 /nfs/dbraw/zinc/62/62/12/558626212.db2.gz RLUZWKQUHLFZDP-SCZZXKLOSA-N -1 1 361.179 2.294 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000408204204 558655928 /nfs/dbraw/zinc/65/59/28/558655928.db2.gz GHRGAMBWSFAAQI-CYBMUJFWSA-N -1 1 353.469 2.352 20 0 FEADMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000408299454 558664973 /nfs/dbraw/zinc/66/49/73/558664973.db2.gz UTKSSDATIRKQBJ-MRVPVSSYSA-N -1 1 355.218 2.032 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)cnc2n1 ZINC000524452253 562228812 /nfs/dbraw/zinc/22/88/12/562228812.db2.gz IHYGFBBTVVPCDY-QWHCGFSZSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c2=O ZINC000524452253 562228813 /nfs/dbraw/zinc/22/88/13/562228813.db2.gz IHYGFBBTVVPCDY-QWHCGFSZSA-N -1 1 356.426 2.021 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cccc(OC2CCCCC2)c1 ZINC000410281485 558749754 /nfs/dbraw/zinc/74/97/54/558749754.db2.gz KAUZXOHLAPGMDQ-UHFFFAOYSA-N -1 1 356.426 3.042 20 0 FEADMM COc1cncc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000410396251 558755033 /nfs/dbraw/zinc/75/50/33/558755033.db2.gz BNPXNUBLEYIUIH-NSHDSACASA-N -1 1 350.396 2.154 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)C(F)(F)F)o1 ZINC000410956259 558827675 /nfs/dbraw/zinc/82/76/75/558827675.db2.gz WRLGAQNLFONGRK-UHFFFAOYSA-N -1 1 356.366 2.427 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(F)cn1 ZINC000411044013 558834886 /nfs/dbraw/zinc/83/48/86/558834886.db2.gz BAFYUHUTQLIFTO-UHFFFAOYSA-N -1 1 355.391 2.167 20 0 FEADMM COc1cc(NC(=O)NCCCOC(C)C)ccc1[N-]S(C)(=O)=O ZINC000525411109 562247727 /nfs/dbraw/zinc/24/77/27/562247727.db2.gz MRVOZDWOPLLBPX-UHFFFAOYSA-N -1 1 359.448 2.003 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)cc1F ZINC000525680599 562251895 /nfs/dbraw/zinc/25/18/95/562251895.db2.gz CTFYSAGXFOCOJE-UHFFFAOYSA-N -1 1 350.371 2.290 20 0 FEADMM CCOC(=O)[C@H](CC)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000412260149 559023181 /nfs/dbraw/zinc/02/31/81/559023181.db2.gz RXBYDLXXFSYDAW-SECBINFHSA-N -1 1 352.778 2.359 20 0 FEADMM CCOC(=O)[C@H](CC)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000412260149 559023182 /nfs/dbraw/zinc/02/31/82/559023182.db2.gz RXBYDLXXFSYDAW-SECBINFHSA-N -1 1 352.778 2.359 20 0 FEADMM COC(=O)[C@@H]1CSCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000412956168 559067164 /nfs/dbraw/zinc/06/71/64/559067164.db2.gz VZESJLWHVVIDGK-VIFPVBQESA-N -1 1 374.256 2.133 20 0 FEADMM Cc1cc(N2CCN(c3nc(=N)[n-]s3)CC2)nc(-c2cccs2)n1 ZINC000413186919 559086757 /nfs/dbraw/zinc/08/67/57/559086757.db2.gz QBTRNUDOTIMWEK-UHFFFAOYSA-N -1 1 359.484 2.274 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1Br ZINC000526119865 562267576 /nfs/dbraw/zinc/26/75/76/562267576.db2.gz ZVIRYUQDJQYINL-UHFFFAOYSA-N -1 1 359.249 2.153 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](CO)c1ccc(F)cc1 ZINC000413970778 559144078 /nfs/dbraw/zinc/14/40/78/559144078.db2.gz YAJADAYMHHDFNM-ZDUSSCGKSA-N -1 1 361.417 2.433 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](CO)c1ccc(F)cc1 ZINC000413970776 559144100 /nfs/dbraw/zinc/14/41/00/559144100.db2.gz YAJADAYMHHDFNM-CYBMUJFWSA-N -1 1 361.417 2.433 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(F)c1 ZINC000414417369 559162787 /nfs/dbraw/zinc/16/27/87/559162787.db2.gz XKWVMTRCRPAYCL-NSHDSACASA-N -1 1 355.391 2.183 20 0 FEADMM CCOc1ccc(CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C(C)C)cc1 ZINC000416147604 559294411 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20 0 FEADMM C[C@H]1COCCN1CCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418854768 559419416 /nfs/dbraw/zinc/41/94/16/559419416.db2.gz LJLOYZDHNHVMLB-ZETCQYMHSA-N -1 1 374.226 3.057 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000420715290 559499932 /nfs/dbraw/zinc/49/99/32/559499932.db2.gz HSEKRGKFEBAZLQ-SVRRBLITSA-N -1 1 355.218 2.065 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1cnn(Cc2ccc(OC)cc2)c1)OC ZINC000421145794 559526577 /nfs/dbraw/zinc/52/65/77/559526577.db2.gz AVOJCMUTGVQUBR-OAHLLOKOSA-N -1 1 353.444 2.107 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(N)=O)c(OC(C)C)c1 ZINC000421166766 559528247 /nfs/dbraw/zinc/52/82/47/559528247.db2.gz QNZBMQBPBKHBFA-CQSZACIVSA-N -1 1 372.487 2.376 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SCC(N)=O ZINC000421243898 559533277 /nfs/dbraw/zinc/53/32/77/559533277.db2.gz FCEGUCTYLNSLKB-GFCCVEGCSA-N -1 1 360.501 2.067 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@@]12CCOC2 ZINC000422089292 559564594 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COc1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1Br ZINC000424618443 559671416 /nfs/dbraw/zinc/67/14/16/559671416.db2.gz JZLUOAMJKDQOMF-CYBMUJFWSA-N -1 1 354.204 2.107 20 0 FEADMM C[C@H](N=c1ccc(N2CCC(C(=O)N(C)C)CC2)n[n-]1)c1ccccc1 ZINC000425203047 559690959 /nfs/dbraw/zinc/69/09/59/559690959.db2.gz QFBZZLCPCYIWPY-HNNXBMFYSA-N -1 1 353.470 2.954 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)Cc2cccc(F)c2)c(F)c1 ZINC000425244292 559693068 /nfs/dbraw/zinc/69/30/68/559693068.db2.gz ZARXHTOGELQAGS-ZDUSSCGKSA-N -1 1 359.369 2.294 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1(C)C ZINC000425303564 559695554 /nfs/dbraw/zinc/69/55/54/559695554.db2.gz OXVRZCJDIVZVPB-TUAOUCFPSA-N -1 1 365.430 2.095 20 0 FEADMM CN(C)[C@@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1cccc(Cl)c1 ZINC000425306164 559695781 /nfs/dbraw/zinc/69/57/81/559695781.db2.gz RUIFYMICUNKHPD-TZMCWYRMSA-N -1 1 364.833 2.438 20 0 FEADMM CC(C)(C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccc2c(c1)OCO2 ZINC000425318027 559696397 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CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCOc2cccc(C)c2)c1 ZINC000427910029 559765116 /nfs/dbraw/zinc/76/51/16/559765116.db2.gz VYVDGZQYESBSDP-UHFFFAOYSA-N -1 1 364.423 2.016 20 0 FEADMM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000427967748 559766548 /nfs/dbraw/zinc/76/65/48/559766548.db2.gz RZKJTQNBHKAFDQ-CYBMUJFWSA-N -1 1 351.472 2.959 20 0 FEADMM Cc1cnc(C(=O)NCC(=O)Nc2cccc(Br)c2)c([O-])c1 ZINC000428025650 559767764 /nfs/dbraw/zinc/76/77/64/559767764.db2.gz UMNZOSLWUXSIQR-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM CCOc1cc(C(=O)N(CCOC)Cc2ccnn2C)cc(Cl)c1[O-] ZINC000428703810 559781487 /nfs/dbraw/zinc/78/14/87/559781487.db2.gz VESSJCVEIJFIBU-UHFFFAOYSA-N -1 1 367.833 2.467 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C)nn3c2)cc1OC ZINC000430365482 559818618 /nfs/dbraw/zinc/81/86/18/559818618.db2.gz FIBITGAWRWDRSM-UHFFFAOYSA-N -1 1 362.411 2.164 20 0 FEADMM NC(=O)c1csc(=NCCOc2ncc(C(F)(F)F)cc2Cl)[n-]1 ZINC000432335378 559856658 /nfs/dbraw/zinc/85/66/58/559856658.db2.gz 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COc1cc(C(=O)N([C@H](C)CS(C)(=O)=O)C2CC2)cc(Cl)c1[O-] ZINC000460208269 560738052 /nfs/dbraw/zinc/73/80/52/560738052.db2.gz ANPNXMWOXFIVMX-SECBINFHSA-N -1 1 361.847 2.092 20 0 FEADMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1C ZINC000460413453 560743306 /nfs/dbraw/zinc/74/33/06/560743306.db2.gz SKJJYRLOOWVEHO-UHFFFAOYSA-N -1 1 373.438 2.303 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000461465519 560772634 /nfs/dbraw/zinc/77/26/34/560772634.db2.gz WQVHMMNVQDZTLC-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2oc(CC(C)C)nc2C)c1 ZINC000461465860 560772955 /nfs/dbraw/zinc/77/29/55/560772955.db2.gz GLGRAKFFKNZDRK-UHFFFAOYSA-N -1 1 367.427 2.048 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3nc(C)ccc3c2)c1 ZINC000461467278 560772982 /nfs/dbraw/zinc/77/29/82/560772982.db2.gz YQPROIWESUWCFS-UHFFFAOYSA-N -1 1 371.418 2.409 20 0 FEADMM CC(C)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nn[n-]n1 ZINC000461635223 560778209 /nfs/dbraw/zinc/77/82/09/560778209.db2.gz OYFONARNGPZWDS-UHFFFAOYSA-N -1 1 360.805 2.492 20 0 FEADMM CC(C)(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)c1nn[n-]n1 ZINC000461636662 560778369 /nfs/dbraw/zinc/77/83/69/560778369.db2.gz QVEJERFTEBNYRA-UHFFFAOYSA-N -1 1 355.402 2.035 20 0 FEADMM CCC(CC)(CC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462316128 560805609 /nfs/dbraw/zinc/80/56/09/560805609.db2.gz JYFBUJWKFBBUHK-UHFFFAOYSA-N -1 1 366.480 2.444 20 0 FEADMM COC(=O)C1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000464533953 560844610 /nfs/dbraw/zinc/84/46/10/560844610.db2.gz VUWVQMPMEKMGIZ-UHFFFAOYSA-N -1 1 374.418 2.379 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)COC4)cc2oc1=O ZINC000466965474 560900517 /nfs/dbraw/zinc/90/05/17/560900517.db2.gz VGIIMCUBVFOQND-UHFFFAOYSA-N -1 1 360.391 2.445 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)ccc1C ZINC000467090412 560903505 /nfs/dbraw/zinc/90/35/05/560903505.db2.gz KDJALBMCEATMJE-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM Cc1ccc2[nH]cc(CCC(=O)N3CCN(c4nc(=N)[n-]s4)CC3)c2c1 ZINC000467873049 560919099 /nfs/dbraw/zinc/91/90/99/560919099.db2.gz XHGBIGAUHRGQCY-UHFFFAOYSA-N -1 1 370.482 2.191 20 0 FEADMM C[C@@H]1[C@H](CO)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468044880 560921523 /nfs/dbraw/zinc/92/15/23/560921523.db2.gz NFMXMRSWZCESMZ-ZBFHGGJFSA-N -1 1 374.462 2.330 20 0 FEADMM N=c1nc(N2CCN(CCOc3cc(Cl)ccc3Cl)CC2)s[n-]1 ZINC000469137851 560948074 /nfs/dbraw/zinc/94/80/74/560948074.db2.gz DPQRVCQSHHTNOQ-UHFFFAOYSA-N -1 1 374.297 2.628 20 0 FEADMM O=S(=O)([N-]Cc1noc(C(F)(F)F)n1)c1c(F)cccc1Cl ZINC000470230329 560977132 /nfs/dbraw/zinc/97/71/32/560977132.db2.gz AULARNUBNFEYOV-UHFFFAOYSA-N -1 1 359.688 2.359 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2F)c1 ZINC000470254576 560977557 /nfs/dbraw/zinc/97/75/57/560977557.db2.gz KGUFWEPLNSJQSH-UHFFFAOYSA-N -1 1 368.371 2.171 20 0 FEADMM Nc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)nc(Nc2ccccc2)n1 ZINC000470454654 560982561 /nfs/dbraw/zinc/98/25/61/560982561.db2.gz ANZVAFBUIYAXOV-UHFFFAOYSA-N -1 1 367.438 2.285 20 0 FEADMM Cc1cc(Br)ccc1SCC(=O)NC1(c2nn[n-]n2)CC1 ZINC000470973430 560995630 /nfs/dbraw/zinc/99/56/30/560995630.db2.gz DCWMFXVEBJKJNF-UHFFFAOYSA-N -1 1 368.260 2.168 20 0 FEADMM COC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccco1 ZINC000471512742 561006177 /nfs/dbraw/zinc/00/61/77/561006177.db2.gz ZFLHJEVUPSOEKO-NSHDSACASA-N -1 1 370.427 2.067 20 0 FEADMM CC(C)(NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nn[n-]n1 ZINC000472258204 561022017 /nfs/dbraw/zinc/02/20/17/561022017.db2.gz JMUNICPQNKJEHY-UHFFFAOYSA-N -1 1 365.319 2.069 20 0 FEADMM C[C@H]1C[C@@H](O)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473002793 561039925 /nfs/dbraw/zinc/03/99/25/561039925.db2.gz TZYPKJBZXTYMKV-XJKSGUPXSA-N -1 1 360.435 2.083 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000473291165 561046772 /nfs/dbraw/zinc/04/67/72/561046772.db2.gz CNTIVWWAYSJQRS-VIFPVBQESA-N -1 1 351.359 2.002 20 0 FEADMM CC[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000473658132 561055320 /nfs/dbraw/zinc/05/53/20/561055320.db2.gz GOIOZFPEXZZEKH-WMZOPIPTSA-N -1 1 355.438 2.197 20 0 FEADMM COc1ccc(NC(=O)Cc2ccc3c[nH]nc3c2)cc1[N-]S(C)(=O)=O ZINC000474693920 561080641 /nfs/dbraw/zinc/08/06/41/561080641.db2.gz XNOGCDDHOPTOPI-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)COC4)ccc2[nH]1 ZINC000475814424 561105994 /nfs/dbraw/zinc/10/59/94/561105994.db2.gz IYDJOEDZXKHWCX-UHFFFAOYSA-N -1 1 371.418 2.359 20 0 FEADMM CC(C)C[C@H](CCO)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000476063782 561110660 /nfs/dbraw/zinc/11/06/60/561110660.db2.gz RYHIAPDUKGRVQF-ZDUSSCGKSA-N -1 1 374.503 2.131 20 0 FEADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000476636977 561124928 /nfs/dbraw/zinc/12/49/28/561124928.db2.gz ZERIGLUQYHCWFH-UHFFFAOYSA-N -1 1 360.391 2.343 20 0 FEADMM CCCN(CC(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476921316 561132177 /nfs/dbraw/zinc/13/21/77/561132177.db2.gz GTFVHHDAOFYSGN-UHFFFAOYSA-N -1 1 366.480 2.254 20 0 FEADMM CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000477105762 561136727 /nfs/dbraw/zinc/13/67/27/561136727.db2.gz FWLQVDPFNVFLOL-UHFFFAOYSA-N -1 1 371.802 2.136 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000528524551 562333771 /nfs/dbraw/zinc/33/37/71/562333771.db2.gz BGSHDUXZDCOFQL-CXAGYDPISA-N -1 1 363.483 2.480 20 0 FEADMM Cc1cccc(CC(=O)NC2(c3nn[n-]n3)CCCC2)c1Br ZINC000528597434 562337737 /nfs/dbraw/zinc/33/77/37/562337737.db2.gz BOAUQCMXSWLRCP-UHFFFAOYSA-N -1 1 364.247 2.399 20 0 FEADMM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(F)c1[O-])C2=O ZINC000530005135 562394287 /nfs/dbraw/zinc/39/42/87/562394287.db2.gz IHVOCEVMPAEIHJ-XGISUXEOSA-N -1 1 363.389 2.217 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530052574 562396133 /nfs/dbraw/zinc/39/61/33/562396133.db2.gz VDCRBXJDVOCBHG-MNOVXSKESA-N -1 1 363.357 2.203 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530072791 562397033 /nfs/dbraw/zinc/39/70/33/562397033.db2.gz WKXXKEOYNTZWBJ-NLQQUQSOSA-N -1 1 358.257 2.280 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(N)=O)sc1C)c1ccc(F)cc1 ZINC000530134449 562399266 /nfs/dbraw/zinc/39/92/66/562399266.db2.gz NBLSLXCWMJPTBX-ZDUSSCGKSA-N -1 1 372.443 2.424 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(F)c1 ZINC000530378515 562409041 /nfs/dbraw/zinc/40/90/41/562409041.db2.gz OQOXZVHRMWCJJC-UHFFFAOYSA-N -1 1 351.346 2.469 20 0 FEADMM O=C([O-])c1cccc(NS(=O)(=O)CCOc2ccc(F)cc2)c1O ZINC000530541776 562415390 /nfs/dbraw/zinc/41/53/90/562415390.db2.gz ZSMUVDDCJIRMDC-UHFFFAOYSA-N -1 1 355.343 2.050 20 0 FEADMM COc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000530770524 562423351 /nfs/dbraw/zinc/42/33/51/562423351.db2.gz DMYZQMZINVNRIR-UHFFFAOYSA-N -1 1 374.418 2.150 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)cc2C)o1 ZINC000531686672 562454104 /nfs/dbraw/zinc/45/41/04/562454104.db2.gz XIQGJAZYALKGJD-UHFFFAOYSA-N -1 1 353.396 2.252 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000531883598 562459874 /nfs/dbraw/zinc/45/98/74/562459874.db2.gz WBHIBRJSBDJFIV-UHFFFAOYSA-N -1 1 373.442 2.059 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)c(OC)c1 ZINC000532710800 562486410 /nfs/dbraw/zinc/48/64/10/562486410.db2.gz MZSCXADPZOQDEA-CHWSQXEVSA-N -1 1 350.415 2.218 20 0 FEADMM O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793213 562489271 /nfs/dbraw/zinc/48/92/71/562489271.db2.gz UFPMDXPSDGVLJK-VIFPVBQESA-N -1 1 356.213 2.292 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)CNC2(C(=O)[O-])CCCC2)cc1OC ZINC000532880824 562491530 /nfs/dbraw/zinc/49/15/30/562491530.db2.gz AOVZQJRBNVQHAT-CYBMUJFWSA-N -1 1 364.442 2.176 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCOc2cccc(C(F)(F)F)c2)CCCC1 ZINC000532881157 562491558 /nfs/dbraw/zinc/49/15/58/562491558.db2.gz RMCOBJTWATUHCX-UHFFFAOYSA-N -1 1 374.359 2.187 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000532931511 562492941 /nfs/dbraw/zinc/49/29/41/562492941.db2.gz JKGPEJHMBNDPQV-HNNXBMFYSA-N -1 1 360.435 2.237 20 0 FEADMM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000533925221 562521379 /nfs/dbraw/zinc/52/13/79/562521379.db2.gz ADKMFXXQTDPMHV-QMMMGPOBSA-N -1 1 372.231 2.414 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000534317430 562531328 /nfs/dbraw/zinc/53/13/28/562531328.db2.gz CWDLYIRGAKWINF-VXGBXAGGSA-N -1 1 356.426 2.167 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000534688272 562540446 /nfs/dbraw/zinc/54/04/46/562540446.db2.gz YHPRSMUZBWLTIC-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CC(=O)Nc1ccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)cc1 ZINC000535172296 562552542 /nfs/dbraw/zinc/55/25/42/562552542.db2.gz JFTDMBWGSHAXOT-UHFFFAOYSA-N -1 1 353.407 2.162 20 0 FEADMM Cc1nc(CC(C)C)sc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540804232 562593476 /nfs/dbraw/zinc/59/34/76/562593476.db2.gz MHIQFYCYLXXGAH-UHFFFAOYSA-N -1 1 369.468 2.255 20 0 FEADMM C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000541237550 562606916 /nfs/dbraw/zinc/60/69/16/562606916.db2.gz IHTBHNMVFXDMFT-SNVBAGLBSA-N -1 1 367.696 2.475 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncn(C)n2)c1 ZINC000541164046 562604837 /nfs/dbraw/zinc/60/48/37/562604837.db2.gz DYVAIIQMVOIRKY-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)CCO[C@H]1C ZINC000541501540 562613450 /nfs/dbraw/zinc/61/34/50/562613450.db2.gz UBKDBUJTPPVVET-ORAYPTAESA-N -1 1 356.426 2.169 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000545922510 562631169 /nfs/dbraw/zinc/63/11/69/562631169.db2.gz PPNDLPXCIURINO-VHSXEESVSA-N -1 1 369.867 2.113 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000546102659 562633744 /nfs/dbraw/zinc/63/37/44/562633744.db2.gz FGSBNPQEAGBGCU-UHFFFAOYSA-N -1 1 359.389 2.376 20 0 FEADMM Cc1nn(-c2ccccn2)c(Cl)c1/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000806570488 674381472 /nfs/dbraw/zinc/38/14/72/674381472.db2.gz AVECGUJKDZOQEX-WAYWQWQTSA-N -1 1 353.773 2.131 20 0 FEADMM COC(C)(C)c1nsc(N=C([O-])[C@@H](C(=O)OC(C)(C)C)C2CC2)n1 ZINC000601797246 567844636 /nfs/dbraw/zinc/84/46/36/567844636.db2.gz SUTUPTRECBZRMJ-JTQLQIEISA-N -1 1 355.460 2.148 20 0 FEADMM COC(=O)c1ccc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)nc1 ZINC000601948991 567892235 /nfs/dbraw/zinc/89/22/35/567892235.db2.gz YYRDSFKJISHVPR-INIZCTEOSA-N -1 1 364.405 2.093 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc(F)c(Cl)cc2F)n[n-]1 ZINC000603152723 568065119 /nfs/dbraw/zinc/06/51/19/568065119.db2.gz FATBNBYIASYNNU-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cc(F)c(Cl)cc2F)[n-]1 ZINC000603152723 568065120 /nfs/dbraw/zinc/06/51/20/568065120.db2.gz FATBNBYIASYNNU-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cc(F)c(Cl)cc2F)n1 ZINC000603152723 568065121 /nfs/dbraw/zinc/06/51/21/568065121.db2.gz FATBNBYIASYNNU-LURJTMIESA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@@]23CCc2ccccc23)n[n-]1 ZINC000603155592 568068547 /nfs/dbraw/zinc/06/85/47/568068547.db2.gz OLOYUODSSPFTMV-GEDNVKPRSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@@]23CCc2ccccc23)[n-]1 ZINC000603155592 568068548 /nfs/dbraw/zinc/06/85/48/568068548.db2.gz OLOYUODSSPFTMV-GEDNVKPRSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@@]23CCc2ccccc23)n1 ZINC000603155592 568068549 /nfs/dbraw/zinc/06/85/49/568068549.db2.gz OLOYUODSSPFTMV-GEDNVKPRSA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)n[n-]1 ZINC000603159320 568069089 /nfs/dbraw/zinc/06/90/89/568069089.db2.gz AKIJNLQVNBSZBS-SNVBAGLBSA-N -1 1 366.418 2.231 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)[n-]1 ZINC000603159320 568069090 /nfs/dbraw/zinc/06/90/90/568069090.db2.gz AKIJNLQVNBSZBS-SNVBAGLBSA-N -1 1 366.418 2.231 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CSCc2ccc(F)cc2)n1 ZINC000603159320 568069091 /nfs/dbraw/zinc/06/90/91/568069091.db2.gz AKIJNLQVNBSZBS-SNVBAGLBSA-N -1 1 366.418 2.231 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccccc2Br)n[n-]1 ZINC000603161733 568069529 /nfs/dbraw/zinc/06/95/29/568069529.db2.gz GMPATTQCTRQAPU-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccccc2Br)[n-]1 ZINC000603161733 568069530 /nfs/dbraw/zinc/06/95/30/568069530.db2.gz GMPATTQCTRQAPU-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccccc2Br)n1 ZINC000603161733 568069531 /nfs/dbraw/zinc/06/95/31/568069531.db2.gz GMPATTQCTRQAPU-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C)CCC1)c1ccc(OC)cc1OC ZINC000603307301 568084408 /nfs/dbraw/zinc/08/44/08/568084408.db2.gz BTFXIVWUSJSRKI-OAHLLOKOSA-N -1 1 371.455 2.028 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(C)c(C)c1 ZINC000603308595 568084546 /nfs/dbraw/zinc/08/45/46/568084546.db2.gz HDRWNUHCMNKDKQ-UKRRQHHQSA-N -1 1 361.410 2.482 20 0 FEADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000669134207 568129076 /nfs/dbraw/zinc/12/90/76/568129076.db2.gz NMCDVHXKSGHTGP-GJZGRUSLSA-N -1 1 362.451 2.368 20 0 FEADMM CN(Cc1cn[nH]c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000603814210 568145086 /nfs/dbraw/zinc/14/50/86/568145086.db2.gz YKMRUPRNICKMHN-UHFFFAOYSA-N -1 1 370.434 2.483 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cnn(Cc2ccccn2)c1 ZINC000643269361 568449855 /nfs/dbraw/zinc/44/98/55/568449855.db2.gz GVAMYMUVSVBYJC-INIZCTEOSA-N -1 1 352.460 2.129 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1C(N)=O ZINC000605119035 568573632 /nfs/dbraw/zinc/57/36/32/568573632.db2.gz UBAUDVCARVOVIS-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000738342814 598844320 /nfs/dbraw/zinc/84/43/20/598844320.db2.gz QPRFZJDSOKVTQB-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(Br)cc(N(C)C)c1)c1nn[n-]n1 ZINC000556557963 674406730 /nfs/dbraw/zinc/40/67/30/674406730.db2.gz XSSFYHIRLHQPCQ-GFCCVEGCSA-N -1 1 367.251 2.299 20 0 FEADMM C[C@H](O)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736143932 598906084 /nfs/dbraw/zinc/90/60/84/598906084.db2.gz MLXNPWWDYXYDNE-NSHDSACASA-N -1 1 372.454 2.165 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738385643 598936805 /nfs/dbraw/zinc/93/68/05/598936805.db2.gz XJFXEXGKGVUAFJ-CQSZACIVSA-N -1 1 351.345 2.095 20 0 FEADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738385643 598936808 /nfs/dbraw/zinc/93/68/08/598936808.db2.gz XJFXEXGKGVUAFJ-CQSZACIVSA-N -1 1 351.345 2.095 20 0 FEADMM COc1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000737118147 598937206 /nfs/dbraw/zinc/93/72/06/598937206.db2.gz ASXCIADKCRCPED-UHFFFAOYSA-N -1 1 359.393 2.381 20 0 FEADMM COc1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000737118147 598937207 /nfs/dbraw/zinc/93/72/07/598937207.db2.gz ASXCIADKCRCPED-UHFFFAOYSA-N -1 1 359.393 2.381 20 0 FEADMM COC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736947166 598954406 /nfs/dbraw/zinc/95/44/06/598954406.db2.gz DXNZGGBTFIHCEZ-UHFFFAOYSA-N -1 1 361.365 2.209 20 0 FEADMM COC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736947166 598954407 /nfs/dbraw/zinc/95/44/07/598954407.db2.gz DXNZGGBTFIHCEZ-UHFFFAOYSA-N -1 1 361.365 2.209 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1-c1nn[nH]n1 ZINC000822122577 607255182 /nfs/dbraw/zinc/25/51/82/607255182.db2.gz OMVMASJRAJHTKH-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1cccs1 ZINC000736141096 598970420 /nfs/dbraw/zinc/97/04/20/598970420.db2.gz HMXUBQSTTGDRBV-MRXNPFEDSA-N -1 1 353.411 2.191 20 0 FEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1cccs1 ZINC000736141096 598970422 /nfs/dbraw/zinc/97/04/22/598970422.db2.gz HMXUBQSTTGDRBV-MRXNPFEDSA-N -1 1 353.411 2.191 20 0 FEADMM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736802835 598984807 /nfs/dbraw/zinc/98/48/07/598984807.db2.gz YEZCOKPQPLEQLW-UHFFFAOYSA-N -1 1 358.789 2.066 20 0 FEADMM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736802835 598984809 /nfs/dbraw/zinc/98/48/09/598984809.db2.gz YEZCOKPQPLEQLW-UHFFFAOYSA-N -1 1 358.789 2.066 20 0 FEADMM O=C(NCCSc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085429 598985029 /nfs/dbraw/zinc/98/50/29/598985029.db2.gz IZXDWIQIKVCEMK-UHFFFAOYSA-N -1 1 360.830 2.437 20 0 FEADMM O=C(NCCSc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085429 598985030 /nfs/dbraw/zinc/98/50/30/598985030.db2.gz IZXDWIQIKVCEMK-UHFFFAOYSA-N -1 1 360.830 2.437 20 0 FEADMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738038217 599001980 /nfs/dbraw/zinc/00/19/80/599001980.db2.gz ICHXVMUDZKXMPD-UHFFFAOYSA-N -1 1 354.801 2.377 20 0 FEADMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738038217 599001982 /nfs/dbraw/zinc/00/19/82/599001982.db2.gz ICHXVMUDZKXMPD-UHFFFAOYSA-N -1 1 354.801 2.377 20 0 FEADMM O=C(OCc1nc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244345 599002799 /nfs/dbraw/zinc/00/27/99/599002799.db2.gz FTJZVDDINSGPPA-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(OCc1nc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244345 599002800 /nfs/dbraw/zinc/00/28/00/599002800.db2.gz FTJZVDDINSGPPA-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000738259543 599024411 /nfs/dbraw/zinc/02/44/11/599024411.db2.gz RDBSSVKXBQEMFP-OAHLLOKOSA-N -1 1 352.373 2.248 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000738259543 599024413 /nfs/dbraw/zinc/02/44/13/599024413.db2.gz RDBSSVKXBQEMFP-OAHLLOKOSA-N -1 1 352.373 2.248 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cn(C)nc2C)c1-c1nnn[n-]1 ZINC000737188721 599042361 /nfs/dbraw/zinc/04/23/61/599042361.db2.gz DUEVPOCWHDNDQJ-UHFFFAOYSA-N -1 1 370.442 2.155 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cn(C)nc2C)c1-c1nn[n-]n1 ZINC000737188721 599042364 /nfs/dbraw/zinc/04/23/64/599042364.db2.gz DUEVPOCWHDNDQJ-UHFFFAOYSA-N -1 1 370.442 2.155 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)cc1)C1CC1 ZINC000566229407 675196542 /nfs/dbraw/zinc/19/65/42/675196542.db2.gz AFNSFXMPMHBOAS-MRXNPFEDSA-N -1 1 354.472 2.239 20 0 FEADMM O=C(OCc1csc(-c2ccco2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245695 599134152 /nfs/dbraw/zinc/13/41/52/599134152.db2.gz WIHMSDFSMCHWNL-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1csc(-c2ccco2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245695 599134153 /nfs/dbraw/zinc/13/41/53/599134153.db2.gz WIHMSDFSMCHWNL-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1coc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243868 599139863 /nfs/dbraw/zinc/13/98/63/599139863.db2.gz BSSREUUINBNVRE-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1coc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243868 599139865 /nfs/dbraw/zinc/13/98/65/599139865.db2.gz BSSREUUINBNVRE-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736961775 599208159 /nfs/dbraw/zinc/20/81/59/599208159.db2.gz LRNVEFXVKSXLMW-CQSZACIVSA-N -1 1 358.789 2.033 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736961775 599208162 /nfs/dbraw/zinc/20/81/62/599208162.db2.gz LRNVEFXVKSXLMW-CQSZACIVSA-N -1 1 358.789 2.033 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000737200920 599224203 /nfs/dbraw/zinc/22/42/03/599224203.db2.gz OKNFDMKKOGLUHZ-DZGCQCFKSA-N -1 1 370.457 2.308 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000739343338 596926742 /nfs/dbraw/zinc/92/67/42/596926742.db2.gz VKWYVSYVCBECPA-QGZVFWFLSA-N -1 1 358.438 2.458 20 0 FEADMM CC(C)[C@H](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000817977722 597107468 /nfs/dbraw/zinc/10/74/68/597107468.db2.gz ZCDPIMTYUZCFLE-LBPRGKRZSA-N -1 1 358.320 2.219 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000818374926 597117121 /nfs/dbraw/zinc/11/71/21/597117121.db2.gz ULOSGPLULOPUQX-CJNGLKHVSA-N -1 1 351.422 2.325 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000818207843 597196853 /nfs/dbraw/zinc/19/68/53/597196853.db2.gz PQDUUKASNPKYIK-LLVKDONJSA-N -1 1 354.838 2.077 20 0 FEADMM O=C([O-])CCNC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000819478044 597223947 /nfs/dbraw/zinc/22/39/47/597223947.db2.gz SNFSQLCKOPTWQI-UHFFFAOYSA-N -1 1 373.375 2.397 20 0 FEADMM O=C([O-])CCNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819484248 597224372 /nfs/dbraw/zinc/22/43/72/597224372.db2.gz BFKUZBFUVVWZDP-CYBMUJFWSA-N -1 1 359.348 2.054 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000818373828 597430775 /nfs/dbraw/zinc/43/07/75/597430775.db2.gz CLTIOUVLKLPZCQ-HNNXBMFYSA-N -1 1 353.850 2.449 20 0 FEADMM CN1CC[C@@H](CNC(=O)NCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000820619987 597492741 /nfs/dbraw/zinc/49/27/41/597492741.db2.gz DCWIROGNICJKSF-NHYWBVRUSA-N -1 1 357.813 2.246 20 0 FEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736435860 598260639 /nfs/dbraw/zinc/26/06/39/598260639.db2.gz RDKOBNHYZHYZQG-AWEZNQCLSA-N -1 1 358.427 2.081 20 0 FEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736435860 598260640 /nfs/dbraw/zinc/26/06/40/598260640.db2.gz RDKOBNHYZHYZQG-AWEZNQCLSA-N -1 1 358.427 2.081 20 0 FEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nc(-c3ccoc3)no2)n1 ZINC000737470402 598296029 /nfs/dbraw/zinc/29/60/29/598296029.db2.gz ILKCYMPIWJOXEX-UHFFFAOYSA-N -1 1 356.371 2.209 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736415610 598298309 /nfs/dbraw/zinc/29/83/09/598298309.db2.gz HFYAFXRIVVBPSZ-SECBINFHSA-N -1 1 369.882 2.109 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736415610 598298311 /nfs/dbraw/zinc/29/83/11/598298311.db2.gz HFYAFXRIVVBPSZ-SECBINFHSA-N -1 1 369.882 2.109 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CSCCS2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802208 674430493 /nfs/dbraw/zinc/43/04/93/674430493.db2.gz QGIMOPDNSDTEEL-MMWGEVLESA-N -1 1 370.462 2.139 20 0 FEADMM Cc1ccn(Cc2csc(Cc3ccccc3)n2)c(=O)c1-c1nn[n-]n1 ZINC000822374374 607349804 /nfs/dbraw/zinc/34/98/04/607349804.db2.gz SRQKDRWBLKDCRI-UHFFFAOYSA-N -1 1 364.434 2.432 20 0 FEADMM c1ccc2c(c1)sc1nnc(Sc3nccnc3-c3nn[n-]n3)n21 ZINC000738441491 598342245 /nfs/dbraw/zinc/34/22/45/598342245.db2.gz KMAXNVOVSJAZCF-UHFFFAOYSA-N -1 1 353.396 2.065 20 0 FEADMM Ic1ccccc1Oc1nccnc1-c1nn[n-]n1 ZINC000737669952 598345283 /nfs/dbraw/zinc/34/52/83/598345283.db2.gz RXGIMJQSOTZSIW-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM COc1ccc(Br)c(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737065123 598345397 /nfs/dbraw/zinc/34/53/97/598345397.db2.gz HRGGMUNYQPGWSA-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM COc1ccc(Br)c(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737065123 598345399 /nfs/dbraw/zinc/34/53/99/598345399.db2.gz HRGGMUNYQPGWSA-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC000736793416 598349588 /nfs/dbraw/zinc/34/95/88/598349588.db2.gz WVRSZGMWHCKDHW-ZBFHGGJFSA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC000736793416 598349591 /nfs/dbraw/zinc/34/95/91/598349591.db2.gz WVRSZGMWHCKDHW-ZBFHGGJFSA-N -1 1 351.414 2.261 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000557071798 674434796 /nfs/dbraw/zinc/43/47/96/674434796.db2.gz PSLOFQKLAPIULV-UHFFFAOYSA-N -1 1 363.801 2.303 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1C ZINC000736627211 598451690 /nfs/dbraw/zinc/45/16/90/598451690.db2.gz XUXZJRQHYXHPGE-UHFFFAOYSA-N -1 1 359.411 2.375 20 0 FEADMM CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccccc1 ZINC000736506492 598502396 /nfs/dbraw/zinc/50/23/96/598502396.db2.gz ZRFHLLAVICPTHO-UHFFFAOYSA-N -1 1 374.404 2.235 20 0 FEADMM Cc1nc2ccccc2nc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737488967 598502947 /nfs/dbraw/zinc/50/29/47/598502947.db2.gz CHHQYYHVJXMHEV-UHFFFAOYSA-N -1 1 369.388 2.482 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000738298197 598578096 /nfs/dbraw/zinc/57/80/96/598578096.db2.gz XGEXXWUKWWEYQM-CYBMUJFWSA-N -1 1 369.816 2.128 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1Cc1ccccc1 ZINC000738298197 598578097 /nfs/dbraw/zinc/57/80/97/598578097.db2.gz XGEXXWUKWWEYQM-CYBMUJFWSA-N -1 1 369.816 2.128 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000736949249 598580524 /nfs/dbraw/zinc/58/05/24/598580524.db2.gz RQFBXFALUFTMFF-UHFFFAOYSA-N -1 1 356.773 2.222 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000736949249 598580526 /nfs/dbraw/zinc/58/05/26/598580526.db2.gz RQFBXFALUFTMFF-UHFFFAOYSA-N -1 1 356.773 2.222 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC2(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000737185818 598614182 /nfs/dbraw/zinc/61/41/82/598614182.db2.gz CZJNFDBRDHCKIB-UHFFFAOYSA-N -1 1 368.422 2.108 20 0 FEADMM C[C@H]1CCN(c2ccc3c(n2)CCC3=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000808079062 674440209 /nfs/dbraw/zinc/44/02/09/674440209.db2.gz NKABUDLUMAYZRE-YHAQOWFVSA-N -1 1 355.360 2.492 20 0 FEADMM O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1ccc2ncsc2c1 ZINC000808121848 674442576 /nfs/dbraw/zinc/44/25/76/674442576.db2.gz VRSHYBCPBMPSHO-UHFFFAOYSA-N -1 1 362.432 2.315 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)c1 ZINC000557603259 674456943 /nfs/dbraw/zinc/45/69/43/674456943.db2.gz LMQXKBMJFLSHFY-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000822903434 599316590 /nfs/dbraw/zinc/31/65/90/599316590.db2.gz LDKZLKIKBYWQHF-ZJUUUORDSA-N -1 1 364.196 2.396 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cncc(OC)c1 ZINC000808508422 674460916 /nfs/dbraw/zinc/46/09/16/674460916.db2.gz FTNKKVCXAIQLFV-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820711394 599339460 /nfs/dbraw/zinc/33/94/60/599339460.db2.gz YBAQZYRQQPSDFT-JTQLQIEISA-N -1 1 355.851 2.331 20 0 FEADMM Cc1cccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000822304378 599341092 /nfs/dbraw/zinc/34/10/92/599341092.db2.gz WDROKOAKFVZSFN-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM Cc1cccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000822304378 599341094 /nfs/dbraw/zinc/34/10/94/599341094.db2.gz WDROKOAKFVZSFN-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)c1C ZINC000822309372 599379577 /nfs/dbraw/zinc/37/95/77/599379577.db2.gz WGIJOIGCFVJWAW-WQLSENKSSA-N -1 1 366.406 2.339 20 0 FEADMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)c1C ZINC000822309372 599379580 /nfs/dbraw/zinc/37/95/80/599379580.db2.gz WGIJOIGCFVJWAW-WQLSENKSSA-N -1 1 366.406 2.339 20 0 FEADMM COc1cc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc(OC)c1OC ZINC000737041067 599409084 /nfs/dbraw/zinc/40/90/84/599409084.db2.gz KKBQNAGSNLHJCN-SNVBAGLBSA-N -1 1 356.386 2.461 20 0 FEADMM COc1cc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc(OC)c1OC ZINC000737041067 599409085 /nfs/dbraw/zinc/40/90/85/599409085.db2.gz KKBQNAGSNLHJCN-SNVBAGLBSA-N -1 1 356.386 2.461 20 0 FEADMM CCOCCOCc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000736624608 599409087 /nfs/dbraw/zinc/40/90/87/599409087.db2.gz ACJICFDUPWNHOS-UHFFFAOYSA-N -1 1 354.414 2.427 20 0 FEADMM CCOCCOCc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000736624608 599409088 /nfs/dbraw/zinc/40/90/88/599409088.db2.gz ACJICFDUPWNHOS-UHFFFAOYSA-N -1 1 354.414 2.427 20 0 FEADMM Clc1cnc(NCCNc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000737584554 599410727 /nfs/dbraw/zinc/41/07/27/599410727.db2.gz SAHCTZSEGUAZDR-UHFFFAOYSA-N -1 1 351.201 2.488 20 0 FEADMM Clc1cnc(NCCNc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000737584554 599410730 /nfs/dbraw/zinc/41/07/30/599410730.db2.gz SAHCTZSEGUAZDR-UHFFFAOYSA-N -1 1 351.201 2.488 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC2CCC(C)(C)CC2)cc1-c1nn[n-]n1 ZINC000821979405 599420458 /nfs/dbraw/zinc/42/04/58/599420458.db2.gz RXXMSOUUMMLFBX-UHFFFAOYSA-N -1 1 362.459 2.388 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736117613 599431436 /nfs/dbraw/zinc/43/14/36/599431436.db2.gz QQCZCZMMSNWJDA-GFCCVEGCSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736117613 599431439 /nfs/dbraw/zinc/43/14/39/599431439.db2.gz QQCZCZMMSNWJDA-GFCCVEGCSA-N -1 1 373.461 2.391 20 0 FEADMM OC[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC000823706707 599473471 /nfs/dbraw/zinc/47/34/71/599473471.db2.gz NXSKUWKCMLMBJM-LLVKDONJSA-N -1 1 362.796 2.317 20 0 FEADMM OC[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC000823706707 599473474 /nfs/dbraw/zinc/47/34/74/599473474.db2.gz NXSKUWKCMLMBJM-LLVKDONJSA-N -1 1 362.796 2.317 20 0 FEADMM CCCCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCC)=C1C ZINC000821065921 599491972 /nfs/dbraw/zinc/49/19/72/599491972.db2.gz OQTFKVCURBZEKU-CQSZACIVSA-N -1 1 374.401 2.163 20 0 FEADMM CCCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCC)=C1C ZINC000821065921 599491974 /nfs/dbraw/zinc/49/19/74/599491974.db2.gz OQTFKVCURBZEKU-CQSZACIVSA-N -1 1 374.401 2.163 20 0 FEADMM CCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCC(C)C)=C1C ZINC000821240765 599492852 /nfs/dbraw/zinc/49/28/52/599492852.db2.gz IOJWIOAPBBGAPE-AWEZNQCLSA-N -1 1 374.401 2.019 20 0 FEADMM CCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCC(C)C)=C1C ZINC000821240765 599492854 /nfs/dbraw/zinc/49/28/54/599492854.db2.gz IOJWIOAPBBGAPE-AWEZNQCLSA-N -1 1 374.401 2.019 20 0 FEADMM COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653650 599492949 /nfs/dbraw/zinc/49/29/49/599492949.db2.gz GTYMWAWTILMLPN-AWEZNQCLSA-N -1 1 374.401 2.019 20 0 FEADMM COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653650 599492950 /nfs/dbraw/zinc/49/29/50/599492950.db2.gz GTYMWAWTILMLPN-AWEZNQCLSA-N -1 1 374.401 2.019 20 0 FEADMM CCc1nnc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)o1 ZINC000821517437 599546316 /nfs/dbraw/zinc/54/63/16/599546316.db2.gz IWQQGYMDNXZSKV-UHFFFAOYSA-N -1 1 362.353 2.126 20 0 FEADMM CCc1nnc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)o1 ZINC000821517437 599546318 /nfs/dbraw/zinc/54/63/18/599546318.db2.gz IWQQGYMDNXZSKV-UHFFFAOYSA-N -1 1 362.353 2.126 20 0 FEADMM CN(C)[C@@H](CNC(=O)C(=O)[N-]OC1CCCCC1)c1ccc(Cl)cc1 ZINC000808719562 674469435 /nfs/dbraw/zinc/46/94/35/674469435.db2.gz XYFQOQTWESERHH-INIZCTEOSA-N -1 1 367.877 2.439 20 0 FEADMM CC(C)(NC(=O)[O-])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000736327095 599725246 /nfs/dbraw/zinc/72/52/46/599725246.db2.gz BBBGFEKJTSEMRJ-UHFFFAOYSA-N -1 1 353.850 2.467 20 0 FEADMM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000538471453 599766361 /nfs/dbraw/zinc/76/63/61/599766361.db2.gz SFAZOQYZZDOYGN-UHFFFAOYSA-N -1 1 370.340 2.159 20 0 FEADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000323959234 599778123 /nfs/dbraw/zinc/77/81/23/599778123.db2.gz RKPGDWPQDHJJHQ-ZDUSSCGKSA-N -1 1 351.790 2.033 20 0 FEADMM O=C([O-])[C@H](NCc1cnc2ccnn2c1)c1ccc(Br)cc1 ZINC000739506240 599792539 /nfs/dbraw/zinc/79/25/39/599792539.db2.gz WKZVTMXGOIDPFA-CQSZACIVSA-N -1 1 361.199 2.407 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)c1 ZINC000738143235 599820671 /nfs/dbraw/zinc/82/06/71/599820671.db2.gz NOVANKADXIEUJN-UHFFFAOYSA-N -1 1 370.409 2.071 20 0 FEADMM CN1CCN(c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)nc2)CC1 ZINC000737529521 599931547 /nfs/dbraw/zinc/93/15/47/599931547.db2.gz KSWJMYKFZGELIL-UHFFFAOYSA-N -1 1 355.398 2.176 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000738278126 599939404 /nfs/dbraw/zinc/93/94/04/599939404.db2.gz XHCPXUUODSHYRU-BETUJISGSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCCc1cccc3cccnc31)CC2 ZINC000739277363 600309962 /nfs/dbraw/zinc/30/99/62/600309962.db2.gz ADAVGAWWUAUAAD-KRWDZBQOSA-N -1 1 367.449 2.080 20 0 FEADMM C[C@H]1CSCCN1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000736826571 600440460 /nfs/dbraw/zinc/44/04/60/600440460.db2.gz VOCRQNOXSVTPOQ-BLLLJJGKSA-N -1 1 361.467 2.159 20 0 FEADMM O=C([O-])[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000739572206 600490579 /nfs/dbraw/zinc/49/05/79/600490579.db2.gz IJINJQMETYAJHD-OAHLLOKOSA-N -1 1 363.433 2.296 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000740145652 600515666 /nfs/dbraw/zinc/51/56/66/600515666.db2.gz DCAOOWVYOANJHZ-GJZGRUSLSA-N -1 1 367.833 2.101 20 0 FEADMM CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC(F)(F)F ZINC000821088090 607450512 /nfs/dbraw/zinc/45/05/12/607450512.db2.gz JNSAGEZFVVNXLM-UHFFFAOYSA-N -1 1 360.340 2.289 20 0 FEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1c[nH]c2ccccc2c1=O ZINC000737168081 600578425 /nfs/dbraw/zinc/57/84/25/600578425.db2.gz LTGZTNRCDUCRFC-ZDUSSCGKSA-N -1 1 360.410 2.118 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000736467712 600608243 /nfs/dbraw/zinc/60/82/43/600608243.db2.gz CSELDXAJZRYEJG-HXUWFJFHSA-N -1 1 373.453 2.303 20 0 FEADMM Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)cc1Cl ZINC000738608139 600685112 /nfs/dbraw/zinc/68/51/12/600685112.db2.gz CTJJPLKXRKDJIU-SMDDNHRTSA-N -1 1 350.802 2.077 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)C[C@H]2CCCCO2)c(OC(F)F)c1 ZINC000740155835 600694008 /nfs/dbraw/zinc/69/40/08/600694008.db2.gz VYSYZVOAPYDHCR-SNVBAGLBSA-N -1 1 365.354 2.297 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1C(=O)[O-] ZINC000832903418 600742827 /nfs/dbraw/zinc/74/28/27/600742827.db2.gz HZRBCQUQTQBFKZ-ZIAGYGMSSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000833297351 600742943 /nfs/dbraw/zinc/74/29/43/600742943.db2.gz GIFKUFBYNNSZFW-CQSZACIVSA-N -1 1 372.874 2.287 20 0 FEADMM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@](C)(O)C(=O)[O-] ZINC000737010799 600760974 /nfs/dbraw/zinc/76/09/74/600760974.db2.gz BIUUYXPFFYTGLD-OAHLLOKOSA-N -1 1 363.241 2.480 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3cccc(C(=O)[O-])c3C)[nH]c2c1 ZINC000832959138 600792030 /nfs/dbraw/zinc/79/20/30/600792030.db2.gz QDAKRZRFSNQBKU-UHFFFAOYSA-N -1 1 359.407 2.356 20 0 FEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000828424021 600792459 /nfs/dbraw/zinc/79/24/59/600792459.db2.gz NWRSZPLXNUELIG-QMTHXVAHSA-N -1 1 360.863 2.045 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](CO)CC(C)(C)C ZINC000826340485 607469707 /nfs/dbraw/zinc/46/97/07/607469707.db2.gz ACPNGOGNLUFAPJ-LBPRGKRZSA-N -1 1 372.429 2.086 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](CO)CC(C)(C)C ZINC000826340485 607469708 /nfs/dbraw/zinc/46/97/08/607469708.db2.gz ACPNGOGNLUFAPJ-LBPRGKRZSA-N -1 1 372.429 2.086 20 0 FEADMM Cc1nnc(SCCC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])[nH]1 ZINC000833021891 600837863 /nfs/dbraw/zinc/83/78/63/600837863.db2.gz RLLYEFMFHYDGRU-GFCCVEGCSA-N -1 1 362.455 2.345 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000830955067 600888992 /nfs/dbraw/zinc/88/89/92/600888992.db2.gz ZTPDVPIICCXONU-DLBZAZTESA-N -1 1 359.470 2.264 20 0 FEADMM Cc1nnc(SCCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)[nH]1 ZINC000833020718 600917295 /nfs/dbraw/zinc/91/72/95/600917295.db2.gz AOSITAVDGFBAII-UHFFFAOYSA-N -1 1 350.400 2.088 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000827694516 601080432 /nfs/dbraw/zinc/08/04/32/601080432.db2.gz HBPBNBNELGYYMF-VIFPVBQESA-N -1 1 370.340 2.157 20 0 FEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cn[nH]c1-c1ccncc1 ZINC000832902331 601082028 /nfs/dbraw/zinc/08/20/28/601082028.db2.gz QADNODQJWBYGRI-UHFFFAOYSA-N -1 1 352.350 2.496 20 0 FEADMM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000826335152 607487405 /nfs/dbraw/zinc/48/74/05/607487405.db2.gz AYWOVIUKURQPKJ-QGZVFWFLSA-N -1 1 374.408 2.253 20 0 FEADMM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000826335152 607487406 /nfs/dbraw/zinc/48/74/06/607487406.db2.gz AYWOVIUKURQPKJ-QGZVFWFLSA-N -1 1 374.408 2.253 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000630223589 601107036 /nfs/dbraw/zinc/10/70/36/601107036.db2.gz JYEPNAZWDAROED-NSHDSACASA-N -1 1 360.332 2.206 20 0 FEADMM CNC(=O)CC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000569010428 601116633 /nfs/dbraw/zinc/11/66/33/601116633.db2.gz LNALZFLZGUEKAT-UHFFFAOYSA-N -1 1 354.834 2.265 20 0 FEADMM CCOc1cc(F)ccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830049567 601129196 /nfs/dbraw/zinc/12/91/96/601129196.db2.gz IALOLXJSVQFYDL-LBPRGKRZSA-N -1 1 353.394 2.237 20 0 FEADMM CC(C)N1CCC[C@@H](N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)C1=O ZINC000826966209 601161423 /nfs/dbraw/zinc/16/14/23/601161423.db2.gz MNBBTZSBVIVDQB-MAUKXSAKSA-N -1 1 359.470 2.295 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000830840825 601173665 /nfs/dbraw/zinc/17/36/65/601173665.db2.gz SBJDWQVQTKYSOQ-QGZVFWFLSA-N -1 1 356.369 2.089 20 0 FEADMM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1(N2CCOCC2)CCCC1 ZINC000827623035 601211223 /nfs/dbraw/zinc/21/12/23/601211223.db2.gz XUCQXWRZXVWRNR-HRCADAONSA-N -1 1 352.475 2.027 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)N1CCCC[C@H]1C ZINC000828259235 601218357 /nfs/dbraw/zinc/21/83/57/601218357.db2.gz WGOPEIMNWVOUKV-TYJMOYENSA-N -1 1 366.483 2.326 20 0 FEADMM CC(C)(CNC(=O)c1ccnc(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000236712917 601244811 /nfs/dbraw/zinc/24/48/11/601244811.db2.gz BGWSQEKXWAAMCH-UHFFFAOYSA-N -1 1 353.422 2.347 20 0 FEADMM Cc1nc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)sc1C(=O)[O-] ZINC000833001964 601383254 /nfs/dbraw/zinc/38/32/54/601383254.db2.gz FYEARVICXXQUDI-UHFFFAOYSA-N -1 1 362.392 2.340 20 0 FEADMM C[C@@H]1CCc2c(sc(NC(=O)CN(C)C[C@@H]3CCOC3)c2C(=O)[O-])C1 ZINC000828311178 601383680 /nfs/dbraw/zinc/38/36/80/601383680.db2.gz UVDANRLVXWRIEC-NEPJUHHUSA-N -1 1 366.483 2.478 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000830140696 601386116 /nfs/dbraw/zinc/38/61/16/601386116.db2.gz SOAMQFMNFMGYDZ-QWRGUYRKSA-N -1 1 355.412 2.015 20 0 FEADMM CC(C)C(=O)NC[C@@H]1CCCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000826658175 601398046 /nfs/dbraw/zinc/39/80/46/601398046.db2.gz KJIAEKVPFBMTRY-AWEZNQCLSA-N -1 1 358.442 2.176 20 0 FEADMM C/C(=C/COC(=O)c1cc2ccccc2cc1NS(C)(=O)=O)C(=O)[O-] ZINC000825774736 601409482 /nfs/dbraw/zinc/40/94/82/601409482.db2.gz HCOWPEPNEQVSPX-XFFZJAGNSA-N -1 1 363.391 2.399 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000579723126 601410987 /nfs/dbraw/zinc/41/09/87/601410987.db2.gz XPQLTCLGKHRLQK-LLVKDONJSA-N -1 1 366.439 2.381 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN1CCN(CCn2cccn2)C[C@@H]1CC ZINC000830375282 601417435 /nfs/dbraw/zinc/41/74/35/601417435.db2.gz KYDJPBUKCGXKRN-INIZCTEOSA-N -1 1 360.458 2.333 20 0 FEADMM C[C@@](NCCOc1cccc(C(=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000827734871 601423943 /nfs/dbraw/zinc/42/39/43/601423943.db2.gz NQLDEVNPPYIOND-SFHVURJKSA-N -1 1 362.813 2.407 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)ccc1Br ZINC000223831266 601520644 /nfs/dbraw/zinc/52/06/44/601520644.db2.gz VBKHITOHBODULV-JQWIXIFHSA-N -1 1 355.232 2.349 20 0 FEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000830609171 601524648 /nfs/dbraw/zinc/52/46/48/601524648.db2.gz WWVJXRLEYNZETJ-UHFFFAOYSA-N -1 1 374.509 2.260 20 0 FEADMM CN(C)Cc1ccsc1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000830623918 601558450 /nfs/dbraw/zinc/55/84/50/601558450.db2.gz NXLQQPOXINNXBL-CQSZACIVSA-N -1 1 362.451 2.189 20 0 FEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000826031259 601609298 /nfs/dbraw/zinc/60/92/98/601609298.db2.gz JHVYWRAXRNHVJV-GZMMTYOYSA-N -1 1 369.493 2.497 20 0 FEADMM O=C([O-])c1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1F ZINC000833312267 601631304 /nfs/dbraw/zinc/63/13/04/601631304.db2.gz AAYNIHFXBQZGTP-UHFFFAOYSA-N -1 1 374.416 2.492 20 0 FEADMM Cc1cc(CC(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])[nH]n1 ZINC000832882814 601683424 /nfs/dbraw/zinc/68/34/24/601683424.db2.gz CRJHQRGYPCODHB-INIZCTEOSA-N -1 1 351.406 2.474 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000630222408 601687217 /nfs/dbraw/zinc/68/72/17/601687217.db2.gz DTJVDQJHSRZTRO-CYBMUJFWSA-N -1 1 354.397 2.295 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2)CC1 ZINC000262775167 601729965 /nfs/dbraw/zinc/72/99/65/601729965.db2.gz WANHUSJKWVHECV-UHFFFAOYSA-N -1 1 367.449 2.313 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CCO2)n[nH]1 ZINC000829570574 601773007 /nfs/dbraw/zinc/77/30/07/601773007.db2.gz IWHOAVCWAZZCHP-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CCO2)n1 ZINC000829570574 601773009 /nfs/dbraw/zinc/77/30/09/601773009.db2.gz IWHOAVCWAZZCHP-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM Cn1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1C(=O)[O-] ZINC000833052866 601785200 /nfs/dbraw/zinc/78/52/00/601785200.db2.gz LZTOKDRTBZPNJG-UHFFFAOYSA-N -1 1 364.301 2.423 20 0 FEADMM O=C([O-])CCC1CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000833222271 601822554 /nfs/dbraw/zinc/82/25/54/601822554.db2.gz NOEMOQHAEUHPDN-HXUWFJFHSA-N -1 1 374.481 2.288 20 0 FEADMM CN(C[C@@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1)C(=O)[O-] ZINC000739637065 601855372 /nfs/dbraw/zinc/85/53/72/601855372.db2.gz NUWNOIUJMPVRQT-KMYSJOAASA-N -1 1 363.502 2.393 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000832893324 601918277 /nfs/dbraw/zinc/91/82/77/601918277.db2.gz VDGFGUTXEJVRAV-SFHVURJKSA-N -1 1 360.389 2.055 20 0 FEADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000738893322 601955346 /nfs/dbraw/zinc/95/53/46/601955346.db2.gz XTGYZRDPGNDKFR-RDJZCZTQSA-N -1 1 359.470 2.403 20 0 FEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000740474881 601968281 /nfs/dbraw/zinc/96/82/81/601968281.db2.gz DGZMSPUIPZVFPM-QGZVFWFLSA-N -1 1 363.377 2.311 20 0 FEADMM CC(=O)Nc1ccc2c(CN3CCC[C@@H](N(C)C(=O)[O-])C3)cc(=O)oc2c1 ZINC000738571033 601979747 /nfs/dbraw/zinc/97/97/47/601979747.db2.gz CZEZZHNQTGZAGB-OAHLLOKOSA-N -1 1 373.409 2.326 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)Cc1c(F)cccc1Cl ZINC000826486843 607537034 /nfs/dbraw/zinc/53/70/34/607537034.db2.gz TYROEXLVTPZQOG-UHFFFAOYSA-N -1 1 367.793 2.169 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)Cc1c(F)cccc1Cl ZINC000826486843 607537035 /nfs/dbraw/zinc/53/70/35/607537035.db2.gz TYROEXLVTPZQOG-UHFFFAOYSA-N -1 1 367.793 2.169 20 0 FEADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398194871 601988839 /nfs/dbraw/zinc/98/88/39/601988839.db2.gz LDIOJNCIOBDEIO-YOEHRIQHSA-N -1 1 374.462 2.326 20 0 FEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1OC ZINC000832226577 602018563 /nfs/dbraw/zinc/01/85/63/602018563.db2.gz POGPVDXDSREBDA-IUODEOHRSA-N -1 1 373.409 2.179 20 0 FEADMM Clc1ccc(N2CCOCC2)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826352290 607546156 /nfs/dbraw/zinc/54/61/56/607546156.db2.gz VYGDJVFBUDAAFS-UHFFFAOYSA-N -1 1 371.832 2.364 20 0 FEADMM Clc1ccc(N2CCOCC2)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826352290 607546159 /nfs/dbraw/zinc/54/61/59/607546159.db2.gz VYGDJVFBUDAAFS-UHFFFAOYSA-N -1 1 371.832 2.364 20 0 FEADMM Cn1c2ccccc2n2c(SCc3ccnc(-c4nnn[n-]4)c3)nnc12 ZINC000826356159 607550818 /nfs/dbraw/zinc/55/08/18/607550818.db2.gz DCUDOXIUPQFNND-UHFFFAOYSA-N -1 1 363.410 2.088 20 0 FEADMM Cn1c2ccccc2n2c(SCc3ccnc(-c4nn[n-]n4)c3)nnc12 ZINC000826356159 607550820 /nfs/dbraw/zinc/55/08/20/607550820.db2.gz DCUDOXIUPQFNND-UHFFFAOYSA-N -1 1 363.410 2.088 20 0 FEADMM Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1N1CCOC1=O ZINC000826291861 607552265 /nfs/dbraw/zinc/55/22/65/607552265.db2.gz ZCYHPCOTOGABJV-UHFFFAOYSA-N -1 1 351.370 2.139 20 0 FEADMM Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1N1CCOC1=O ZINC000826291861 607552266 /nfs/dbraw/zinc/55/22/66/607552266.db2.gz ZCYHPCOTOGABJV-UHFFFAOYSA-N -1 1 351.370 2.139 20 0 FEADMM Cc1nnc(SCC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[nH]1 ZINC000832990624 602262921 /nfs/dbraw/zinc/26/29/21/602262921.db2.gz HHYCJXXQVJXRNU-UHFFFAOYSA-N -1 1 372.406 2.461 20 0 FEADMM Cc1n[nH]c(SCC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)n1 ZINC000832990624 602262922 /nfs/dbraw/zinc/26/29/22/602262922.db2.gz HHYCJXXQVJXRNU-UHFFFAOYSA-N -1 1 372.406 2.461 20 0 FEADMM O=C([O-])Nc1ccc(CC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000740703388 602291712 /nfs/dbraw/zinc/29/17/12/602291712.db2.gz QPPKTUWOMWDSSJ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM O=C([O-])Nc1ccc(CC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000740703388 602291715 /nfs/dbraw/zinc/29/17/15/602291715.db2.gz QPPKTUWOMWDSSJ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000388788626 602327665 /nfs/dbraw/zinc/32/76/65/602327665.db2.gz RLPHTZWNSCOXFX-KRWDZBQOSA-N -1 1 374.462 2.280 20 0 FEADMM CSCC[C@H](NC(=O)[O-])C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000740010302 602359075 /nfs/dbraw/zinc/35/90/75/602359075.db2.gz AKPVHPOCPKFOHX-INIZCTEOSA-N -1 1 365.499 2.110 20 0 FEADMM CN(CC1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1)C(=O)[O-] ZINC000739660593 602382170 /nfs/dbraw/zinc/38/21/70/602382170.db2.gz OJVLQISLAKSPBQ-ZDUSSCGKSA-N -1 1 365.396 2.109 20 0 FEADMM COc1cccc(CNC(=O)[C@H](C)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000739945842 602383859 /nfs/dbraw/zinc/38/38/59/602383859.db2.gz DQMFNBOKARCLQO-AWEZNQCLSA-N -1 1 363.458 2.022 20 0 FEADMM CN(C[C@@H]1CCCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1)C(=O)[O-] ZINC000739636234 602399120 /nfs/dbraw/zinc/39/91/20/602399120.db2.gz ISTLWJSJZKONID-QWHCGFSZSA-N -1 1 365.396 2.109 20 0 FEADMM COc1cccc(CNC(=O)[C@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000739948587 602446414 /nfs/dbraw/zinc/44/64/14/602446414.db2.gz ZTWLTYSFLNPOCL-KBPBESRZSA-N -1 1 363.458 2.068 20 0 FEADMM C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738630894 602530176 /nfs/dbraw/zinc/53/01/76/602530176.db2.gz SKMYMPWZUZINPZ-HUUCEWRRSA-N -1 1 372.469 2.147 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000738962026 602533345 /nfs/dbraw/zinc/53/33/45/602533345.db2.gz QEYMSGQMIKNLNL-QWHCGFSZSA-N -1 1 353.850 2.449 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000738953337 602539593 /nfs/dbraw/zinc/53/95/93/602539593.db2.gz PSPQGXARDMAIFJ-IHRRRGAJSA-N -1 1 351.422 2.323 20 0 FEADMM CCCN(CC(=O)NCc1ccc(CC)s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351891 602543073 /nfs/dbraw/zinc/54/30/73/602543073.db2.gz AXZCDSAJROLXFV-ZDUSSCGKSA-N -1 1 353.488 2.391 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC000824929721 607574686 /nfs/dbraw/zinc/57/46/86/607574686.db2.gz YDRXGGNYEFBLIO-FOGDFJRCSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC000824929721 607574688 /nfs/dbraw/zinc/57/46/88/607574688.db2.gz YDRXGGNYEFBLIO-FOGDFJRCSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H]1C ZINC000824925758 607574815 /nfs/dbraw/zinc/57/48/15/607574815.db2.gz GRFXZAGWFPHAEY-BREBYQMCSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824995346 607578373 /nfs/dbraw/zinc/57/83/73/607578373.db2.gz ZFMGTYJAVPVLET-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1Cl ZINC000558592064 674505705 /nfs/dbraw/zinc/50/57/05/674505705.db2.gz AQPBKAFFDYJLPP-UHFFFAOYSA-N -1 1 367.770 2.421 20 0 FEADMM C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000738956791 602792233 /nfs/dbraw/zinc/79/22/33/602792233.db2.gz GBPCQEKQBUXZPL-HQJQHLMTSA-N -1 1 354.819 2.446 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@@H](C)N1CCc2ccccc2C1)NC(=O)[O-] ZINC000738784402 602795077 /nfs/dbraw/zinc/79/50/77/602795077.db2.gz GQEFRUVDYRJTND-RHSMWYFYSA-N -1 1 362.474 2.025 20 0 FEADMM CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825194699 607587082 /nfs/dbraw/zinc/58/70/82/607587082.db2.gz RYULJPXRINELHH-JQWIXIFHSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825194699 607587083 /nfs/dbraw/zinc/58/70/83/607587083.db2.gz RYULJPXRINELHH-JQWIXIFHSA-N -1 1 353.423 2.253 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(CCO)(CCO)CC1 ZINC000634113772 677071377 /nfs/dbraw/zinc/07/13/77/677071377.db2.gz KUAHLRWKSQOKPB-UHFFFAOYSA-N -1 1 372.259 2.142 20 0 FEADMM C[C@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@H]1NC(=O)[O-] ZINC000739136380 602836518 /nfs/dbraw/zinc/83/65/18/602836518.db2.gz FGNRBMWHKQYTHZ-BLLLJJGKSA-N -1 1 366.437 2.075 20 0 FEADMM C[C@@H]1CN(C[C@H](O)COCc2ccccc2Cl)C[C@H](C)N1C(=O)[O-] ZINC000739178834 602873796 /nfs/dbraw/zinc/87/37/96/602873796.db2.gz KPIFRUSKWSAUFE-GUTXKFCHSA-N -1 1 356.850 2.290 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000739966233 602903602 /nfs/dbraw/zinc/90/36/02/602903602.db2.gz BILNPJSEJLBLRN-INIZCTEOSA-N -1 1 367.365 2.223 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739141247 602955735 /nfs/dbraw/zinc/95/57/35/602955735.db2.gz XVORFCRRKXJLKX-IOASZLSFSA-N -1 1 366.437 2.211 20 0 FEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CCCN1Cc1ccccc1)C2 ZINC000740393703 602999690 /nfs/dbraw/zinc/99/96/90/602999690.db2.gz ZLICFQGTGMZSAY-HQSKLWIPSA-N -1 1 357.454 2.441 20 0 FEADMM CC(C)CN1CCO[C@H](COC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000738824896 603144345 /nfs/dbraw/zinc/14/43/45/603144345.db2.gz MCFZYDDQBXGPMZ-ZDUSSCGKSA-N -1 1 354.378 2.429 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000826467196 607609992 /nfs/dbraw/zinc/60/99/92/607609992.db2.gz LCYRHCGZUPIFFV-UHFFFAOYSA-N -1 1 366.312 2.012 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000826467196 607609993 /nfs/dbraw/zinc/60/99/93/607609993.db2.gz LCYRHCGZUPIFFV-UHFFFAOYSA-N -1 1 366.312 2.012 20 0 FEADMM C[C@H](CNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738916433 603166580 /nfs/dbraw/zinc/16/65/80/603166580.db2.gz QQYNXPCXPSZBQS-UWWQBHOKSA-N -1 1 359.470 2.376 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000831811075 603199425 /nfs/dbraw/zinc/19/94/25/603199425.db2.gz ZHYYSBUTWPCOMP-JTQLQIEISA-N -1 1 353.176 2.406 20 0 FEADMM Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000826396318 607614548 /nfs/dbraw/zinc/61/45/48/607614548.db2.gz RUJVZUIVAWTLSO-UHFFFAOYSA-N -1 1 364.287 2.220 20 0 FEADMM Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000826396318 607614550 /nfs/dbraw/zinc/61/45/50/607614550.db2.gz RUJVZUIVAWTLSO-UHFFFAOYSA-N -1 1 364.287 2.220 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc(F)c1 ZINC000739600883 603232375 /nfs/dbraw/zinc/23/23/75/603232375.db2.gz BLXRYVWYYHLGJD-NUEKZKHPSA-N -1 1 351.422 2.371 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000737085651 603295757 /nfs/dbraw/zinc/29/57/57/603295757.db2.gz PGLGASAJNSFCMR-KBPBESRZSA-N -1 1 352.435 2.104 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000832757539 603397573 /nfs/dbraw/zinc/39/75/73/603397573.db2.gz IKPRDYOKSOFDTR-PMACEKPBSA-N -1 1 369.465 2.048 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCOc2ccccc2C1 ZINC000832757996 603399490 /nfs/dbraw/zinc/39/94/90/603399490.db2.gz SVTVSLHOLRKCBY-ROUUACIJSA-N -1 1 356.422 2.121 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830083802 603438051 /nfs/dbraw/zinc/43/80/51/603438051.db2.gz BQVJQFFGEGEHDG-GJZGRUSLSA-N -1 1 360.458 2.122 20 0 FEADMM CCN(CC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1)C(=O)[O-] ZINC000827098770 603543666 /nfs/dbraw/zinc/54/36/66/603543666.db2.gz GYKJMYOFLJQDDH-UHFFFAOYSA-N -1 1 358.442 2.215 20 0 FEADMM CN(CC1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1)C(=O)[O-] ZINC000828253302 603556026 /nfs/dbraw/zinc/55/60/26/603556026.db2.gz KTYLTYOLJWLNIW-UHFFFAOYSA-N -1 1 358.402 2.121 20 0 FEADMM C[C@@H]1CC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875977 607639889 /nfs/dbraw/zinc/63/98/89/607639889.db2.gz PZKTZPRGTGPIGR-UWVGGRQHSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875977 607639891 /nfs/dbraw/zinc/63/98/91/607639891.db2.gz PZKTZPRGTGPIGR-UWVGGRQHSA-N -1 1 353.423 2.109 20 0 FEADMM CN(C)[C@H](CNC(=O)C1(CNC(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000827996174 603638023 /nfs/dbraw/zinc/63/80/23/603638023.db2.gz VOUCIHRRZVZBRY-OAHLLOKOSA-N -1 1 351.422 2.373 20 0 FEADMM CS[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826226848 607650763 /nfs/dbraw/zinc/65/07/63/607650763.db2.gz HLQWPDFFUJDTAQ-DTWKUNHWSA-N -1 1 373.891 2.083 20 0 FEADMM CS[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826226848 607650765 /nfs/dbraw/zinc/65/07/65/607650765.db2.gz HLQWPDFFUJDTAQ-DTWKUNHWSA-N -1 1 373.891 2.083 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)N1C(=O)[O-] ZINC000826034555 603795155 /nfs/dbraw/zinc/79/51/55/603795155.db2.gz KJGFEDDWOUCIDL-ZIAGYGMSSA-N -1 1 354.410 2.460 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000827883196 603801615 /nfs/dbraw/zinc/80/16/15/603801615.db2.gz XLUQJSXKEUCFFZ-GHMZBOCLSA-N -1 1 363.241 2.417 20 0 FEADMM O=C([O-])N1CC[C@](F)(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)C1 ZINC000831907317 603854197 /nfs/dbraw/zinc/85/41/97/603854197.db2.gz BTFIHHUMHYYFKI-CXAGYDPISA-N -1 1 362.361 2.445 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000832552172 603888872 /nfs/dbraw/zinc/88/88/72/603888872.db2.gz YOLYTWXJAORSML-GJZGRUSLSA-N -1 1 364.446 2.248 20 0 FEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc3c(=O)[nH]c(=S)[nH]c3c1)C2 ZINC000831583942 603924756 /nfs/dbraw/zinc/92/47/56/603924756.db2.gz HNDGLUKHJWCPJN-FGWVZKOKSA-N -1 1 374.422 2.027 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827994681 603969900 /nfs/dbraw/zinc/96/99/00/603969900.db2.gz MWJLMVZOCVSMNV-NWANDNLSSA-N -1 1 353.850 2.495 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000827993181 603970015 /nfs/dbraw/zinc/97/00/15/603970015.db2.gz AUEBEHMIGGERTO-SOUVJXGZSA-N -1 1 353.850 2.495 20 0 FEADMM CC(C)(CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)NC(=O)[O-] ZINC000823930065 604018712 /nfs/dbraw/zinc/01/87/12/604018712.db2.gz CELDYHNNWPWLIN-UHFFFAOYSA-N -1 1 366.437 2.136 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCCN(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827996421 604046884 /nfs/dbraw/zinc/04/68/84/604046884.db2.gz XOIQYQYOPWYVRC-HNNXBMFYSA-N -1 1 368.865 2.338 20 0 FEADMM CN(C)C(=O)c1cccc(CN2CCC(OCCCNC(=O)[O-])CC2)c1 ZINC000827988331 604104307 /nfs/dbraw/zinc/10/43/07/604104307.db2.gz DGVAOCIPKDYBNC-UHFFFAOYSA-N -1 1 363.458 2.027 20 0 FEADMM COCCn1c(C)cc(C(=O)CN(C)C2CCC(NC(=O)[O-])CC2)c1C ZINC000829031476 604115238 /nfs/dbraw/zinc/11/52/38/604115238.db2.gz ZYPYHXKJVLGVNP-UHFFFAOYSA-N -1 1 365.474 2.445 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000825121679 604165656 /nfs/dbraw/zinc/16/56/56/604165656.db2.gz OALLLVKLEIKCMD-GUTXKFCHSA-N -1 1 351.422 2.371 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000825266648 604210222 /nfs/dbraw/zinc/21/02/22/604210222.db2.gz WETDUANEMFLEKB-TZMCWYRMSA-N -1 1 353.850 2.324 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830568164 604221759 /nfs/dbraw/zinc/22/17/59/604221759.db2.gz YRVFXOYNZLNLEA-XYJFISCASA-N -1 1 361.486 2.410 20 0 FEADMM 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606080022 /nfs/dbraw/zinc/08/00/22/606080022.db2.gz WSRPPZOJSJOQQJ-LBPRGKRZSA-N -1 1 365.386 2.146 20 0 FEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2C1 ZINC000834196110 606096113 /nfs/dbraw/zinc/09/61/13/606096113.db2.gz MDUKEQHYJHXAAO-LLVKDONJSA-N -1 1 367.365 2.442 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000819922214 606100678 /nfs/dbraw/zinc/10/06/78/606100678.db2.gz HDFJQBWUVPDPRC-SECBINFHSA-N -1 1 350.810 2.083 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000819922214 606100682 /nfs/dbraw/zinc/10/06/82/606100682.db2.gz HDFJQBWUVPDPRC-SECBINFHSA-N -1 1 350.810 2.083 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821449565 606103257 /nfs/dbraw/zinc/10/32/57/606103257.db2.gz VFIYJVNUUSGZQH-DPCRMLNESA-N -1 1 371.470 2.302 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821449565 606103259 /nfs/dbraw/zinc/10/32/59/606103259.db2.gz VFIYJVNUUSGZQH-DPCRMLNESA-N -1 1 371.470 2.302 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823607189 606124111 /nfs/dbraw/zinc/12/41/11/606124111.db2.gz RMCANZSHHBOHFH-GHMZBOCLSA-N -1 1 367.862 2.331 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823607189 606124113 /nfs/dbraw/zinc/12/41/13/606124113.db2.gz RMCANZSHHBOHFH-GHMZBOCLSA-N -1 1 367.862 2.331 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCC1=CCCCC1 ZINC000823027424 606134833 /nfs/dbraw/zinc/13/48/33/606134833.db2.gz UMDVSJHHKHCOJN-UHFFFAOYSA-N -1 1 361.427 2.092 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCC1=CCCCC1 ZINC000823027424 606134835 /nfs/dbraw/zinc/13/48/35/606134835.db2.gz UMDVSJHHKHCOJN-UHFFFAOYSA-N -1 1 361.427 2.092 20 0 FEADMM Cc1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000822324284 606136670 /nfs/dbraw/zinc/13/66/70/606136670.db2.gz YTKFCJXJHLGTDJ-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM Cc1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000822324284 606136671 /nfs/dbraw/zinc/13/66/71/606136671.db2.gz YTKFCJXJHLGTDJ-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822248702 606136712 /nfs/dbraw/zinc/13/67/12/606136712.db2.gz JRFFJFPZJOGGRJ-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822248702 606136713 /nfs/dbraw/zinc/13/67/13/606136713.db2.gz JRFFJFPZJOGGRJ-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@@]2(CCCOC2)C1 ZINC000823791670 606142985 /nfs/dbraw/zinc/14/29/85/606142985.db2.gz HSCAMYOYGBJRTK-GOSISDBHSA-N -1 1 351.414 2.207 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@@]2(CCCOC2)C1 ZINC000823791670 606142987 /nfs/dbraw/zinc/14/29/87/606142987.db2.gz HSCAMYOYGBJRTK-GOSISDBHSA-N -1 1 351.414 2.207 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000822609637 606155741 /nfs/dbraw/zinc/15/57/41/606155741.db2.gz SQARRJMZQVTLRU-ZDUSSCGKSA-N -1 1 374.355 2.247 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000822609637 606155743 /nfs/dbraw/zinc/15/57/43/606155743.db2.gz SQARRJMZQVTLRU-ZDUSSCGKSA-N -1 1 374.355 2.247 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2cccc3ccccc32)n1 ZINC000822620547 606156488 /nfs/dbraw/zinc/15/64/88/606156488.db2.gz WHCUAQGJNLGQDY-UHFFFAOYSA-N -1 1 362.397 2.118 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2cccc3ccccc32)n1 ZINC000822620547 606156490 /nfs/dbraw/zinc/15/64/90/606156490.db2.gz WHCUAQGJNLGQDY-UHFFFAOYSA-N -1 1 362.397 2.118 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)c2cccc(Cl)c2)n1 ZINC000822613157 606160111 /nfs/dbraw/zinc/16/01/11/606160111.db2.gz BOZSMWMGWFGBGB-UHFFFAOYSA-N -1 1 374.836 2.353 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)c2cccc(Cl)c2)n1 ZINC000822613157 606160113 /nfs/dbraw/zinc/16/01/13/606160113.db2.gz BOZSMWMGWFGBGB-UHFFFAOYSA-N -1 1 374.836 2.353 20 0 FEADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820555862 606165332 /nfs/dbraw/zinc/16/53/32/606165332.db2.gz QHRMEPHHGHFQAS-MRVPVSSYSA-N -1 1 362.344 2.103 20 0 FEADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820555862 606165333 /nfs/dbraw/zinc/16/53/33/606165333.db2.gz QHRMEPHHGHFQAS-MRVPVSSYSA-N -1 1 362.344 2.103 20 0 FEADMM COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821639450 606188628 /nfs/dbraw/zinc/18/86/28/606188628.db2.gz ZBSUIKJPCQJZRV-YGRLFVJLSA-N -1 1 371.422 2.208 20 0 FEADMM COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821639450 606188630 /nfs/dbraw/zinc/18/86/30/606188630.db2.gz ZBSUIKJPCQJZRV-YGRLFVJLSA-N -1 1 371.422 2.208 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820727588 606195096 /nfs/dbraw/zinc/19/50/96/606195096.db2.gz MTTPSEUCKBGRLR-YMTOWFKASA-N -1 1 370.392 2.184 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820727588 606195098 /nfs/dbraw/zinc/19/50/98/606195098.db2.gz MTTPSEUCKBGRLR-YMTOWFKASA-N -1 1 370.392 2.184 20 0 FEADMM CC(C)C(=O)N1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820012029 606218029 /nfs/dbraw/zinc/21/80/29/606218029.db2.gz RXBRBQJMHIQSFH-UHFFFAOYSA-N -1 1 365.441 2.110 20 0 FEADMM CC(C)C(=O)N1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820012029 606218031 /nfs/dbraw/zinc/21/80/31/606218031.db2.gz RXBRBQJMHIQSFH-UHFFFAOYSA-N -1 1 365.441 2.110 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000823294852 606296407 /nfs/dbraw/zinc/29/64/07/606296407.db2.gz URUOTHJDMVQJGS-UHFFFAOYSA-N -1 1 371.357 2.129 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC2[C@H](C)CCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000821970371 606299472 /nfs/dbraw/zinc/29/94/72/606299472.db2.gz MXCYIDZNILFVEO-RKDXNWHRSA-N -1 1 362.459 2.244 20 0 FEADMM CCc1ccc(C(C)(C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821475911 606344391 /nfs/dbraw/zinc/34/43/91/606344391.db2.gz CPGKXIDEEZCVCC-UHFFFAOYSA-N -1 1 354.418 2.219 20 0 FEADMM CCc1ccc(C(C)(C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821475911 606344394 /nfs/dbraw/zinc/34/43/94/606344394.db2.gz CPGKXIDEEZCVCC-UHFFFAOYSA-N -1 1 354.418 2.219 20 0 FEADMM CN(C)C(=O)COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821578249 606411098 /nfs/dbraw/zinc/41/10/98/606411098.db2.gz VJQLBAPCUZCGFD-UHFFFAOYSA-N -1 1 358.427 2.007 20 0 FEADMM O=C1OCCN1Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823551613 606412141 /nfs/dbraw/zinc/41/21/41/606412141.db2.gz XFJPLWZDOKADKG-UHFFFAOYSA-N -1 1 356.411 2.493 20 0 FEADMM COC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821661329 606500364 /nfs/dbraw/zinc/50/03/64/606500364.db2.gz DAZZSFOULJVJKH-UHFFFAOYSA-N -1 1 371.422 2.134 20 0 FEADMM COC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821661329 606500366 /nfs/dbraw/zinc/50/03/66/606500366.db2.gz DAZZSFOULJVJKH-UHFFFAOYSA-N -1 1 371.422 2.134 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1OCC ZINC000821077806 606532338 /nfs/dbraw/zinc/53/23/38/606532338.db2.gz UQSFWHHWWYYXFJ-UHFFFAOYSA-N -1 1 371.401 2.420 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1OCC ZINC000821077806 606532339 /nfs/dbraw/zinc/53/23/39/606532339.db2.gz UQSFWHHWWYYXFJ-UHFFFAOYSA-N -1 1 371.401 2.420 20 0 FEADMM CC[C@](NC(=O)c1ccc(-c2nnn[n-]2)s1)(C(=O)OC)c1ccccc1 ZINC000820919714 606554753 /nfs/dbraw/zinc/55/47/53/606554753.db2.gz FYBRYVDALSWTQU-QGZVFWFLSA-N -1 1 371.422 2.137 20 0 FEADMM CC[C@](NC(=O)c1ccc(-c2nn[n-]n2)s1)(C(=O)OC)c1ccccc1 ZINC000820919714 606554755 /nfs/dbraw/zinc/55/47/55/606554755.db2.gz FYBRYVDALSWTQU-QGZVFWFLSA-N -1 1 371.422 2.137 20 0 FEADMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821882691 606573273 /nfs/dbraw/zinc/57/32/73/606573273.db2.gz ICNFYXNUHUTDRI-RHSMWYFYSA-N -1 1 355.423 2.397 20 0 FEADMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821882691 606573275 /nfs/dbraw/zinc/57/32/75/606573275.db2.gz ICNFYXNUHUTDRI-RHSMWYFYSA-N -1 1 355.423 2.397 20 0 FEADMM O=C(NCc1ccccc1-n1ccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261866 606592307 /nfs/dbraw/zinc/59/23/07/606592307.db2.gz VGADTQTVPKJNFX-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000823242375 606599266 /nfs/dbraw/zinc/59/92/66/606599266.db2.gz WUPMLEIGWVXUEW-UHFFFAOYSA-N -1 1 352.379 2.112 20 0 FEADMM O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000823242375 606599267 /nfs/dbraw/zinc/59/92/67/606599267.db2.gz WUPMLEIGWVXUEW-UHFFFAOYSA-N -1 1 352.379 2.112 20 0 FEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000821309237 606599892 /nfs/dbraw/zinc/59/98/92/606599892.db2.gz LFVHOTFNXRKJOB-UHFFFAOYSA-N -1 1 362.390 2.238 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000821347226 606648770 /nfs/dbraw/zinc/64/87/70/606648770.db2.gz UEIOGFURBDFVIW-SECBINFHSA-N -1 1 360.399 2.173 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000821347226 606648771 /nfs/dbraw/zinc/64/87/71/606648771.db2.gz UEIOGFURBDFVIW-SECBINFHSA-N -1 1 360.399 2.173 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1csc(Br)c1 ZINC000823436203 606649019 /nfs/dbraw/zinc/64/90/19/606649019.db2.gz LWVVSBLZDVSNTH-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1csc(Br)c1 ZINC000823436203 606649020 /nfs/dbraw/zinc/64/90/20/606649020.db2.gz LWVVSBLZDVSNTH-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM Cn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC000822669715 606651977 /nfs/dbraw/zinc/65/19/77/606651977.db2.gz MPVCLGSCAOFPED-UHFFFAOYSA-N -1 1 367.413 2.400 20 0 FEADMM Cn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC000822669715 606651978 /nfs/dbraw/zinc/65/19/78/606651978.db2.gz MPVCLGSCAOFPED-UHFFFAOYSA-N -1 1 367.413 2.400 20 0 FEADMM O=C(CCOc1ccc(Cl)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822974284 606652211 /nfs/dbraw/zinc/65/22/11/606652211.db2.gz FJUMWFBZQVLBCL-UHFFFAOYSA-N -1 1 359.773 2.427 20 0 FEADMM O=C(CCOc1ccc(Cl)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822974284 606652212 /nfs/dbraw/zinc/65/22/12/606652212.db2.gz FJUMWFBZQVLBCL-UHFFFAOYSA-N -1 1 359.773 2.427 20 0 FEADMM C[C@H](CCOc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820248505 606652643 /nfs/dbraw/zinc/65/26/43/606652643.db2.gz IWWMZMDIMABJOH-CYBMUJFWSA-N -1 1 353.382 2.410 20 0 FEADMM C[C@H](CCOc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820248505 606652644 /nfs/dbraw/zinc/65/26/44/606652644.db2.gz IWWMZMDIMABJOH-CYBMUJFWSA-N -1 1 353.382 2.410 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820533262 606652757 /nfs/dbraw/zinc/65/27/57/606652757.db2.gz DBEGGSRYEAUKGJ-SECBINFHSA-N -1 1 361.308 2.051 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820533262 606652758 /nfs/dbraw/zinc/65/27/58/606652758.db2.gz DBEGGSRYEAUKGJ-SECBINFHSA-N -1 1 361.308 2.051 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820534638 606653352 /nfs/dbraw/zinc/65/33/52/606653352.db2.gz MCOMYPLWABCWRX-JTQLQIEISA-N -1 1 359.773 2.426 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820534638 606653353 /nfs/dbraw/zinc/65/33/53/606653353.db2.gz MCOMYPLWABCWRX-JTQLQIEISA-N -1 1 359.773 2.426 20 0 FEADMM CCc1nc2n(n1)CCC[C@H]2Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821517563 606729558 /nfs/dbraw/zinc/72/95/58/606729558.db2.gz KLTNQZXUOKDOKA-ZCFIWIBFSA-N -1 1 351.827 2.078 20 0 FEADMM CCc1nc2n(n1)CCC[C@H]2Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821517563 606729561 /nfs/dbraw/zinc/72/95/61/606729561.db2.gz KLTNQZXUOKDOKA-ZCFIWIBFSA-N -1 1 351.827 2.078 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CCC2 ZINC000822280537 606764128 /nfs/dbraw/zinc/76/41/28/606764128.db2.gz RHPFEQXMIDCKKW-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000821510023 606937893 /nfs/dbraw/zinc/93/78/93/606937893.db2.gz SMOHGODORLNDCI-ZDUSSCGKSA-N -1 1 369.454 2.430 20 0 FEADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000821510023 606937894 /nfs/dbraw/zinc/93/78/94/606937894.db2.gz SMOHGODORLNDCI-ZDUSSCGKSA-N -1 1 369.454 2.430 20 0 FEADMM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820051353 606954770 /nfs/dbraw/zinc/95/47/70/606954770.db2.gz NXLGIBQUNRBGGA-HNNXBMFYSA-N -1 1 366.429 2.388 20 0 FEADMM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820051353 606954773 /nfs/dbraw/zinc/95/47/73/606954773.db2.gz NXLGIBQUNRBGGA-HNNXBMFYSA-N -1 1 366.429 2.388 20 0 FEADMM Cc1coc(C)c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000559618140 674549706 /nfs/dbraw/zinc/54/97/06/674549706.db2.gz FAHUBZSTBDIPMJ-UHFFFAOYSA-N -1 1 350.396 2.295 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(F)c(Cl)nc1Cl ZINC000823379813 607024537 /nfs/dbraw/zinc/02/45/37/607024537.db2.gz JMWYFZFLHSWBFD-UHFFFAOYSA-N -1 1 360.161 2.416 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(F)c(Cl)nc1Cl ZINC000823379813 607024539 /nfs/dbraw/zinc/02/45/39/607024539.db2.gz JMWYFZFLHSWBFD-UHFFFAOYSA-N -1 1 360.161 2.416 20 0 FEADMM COc1ccc(C(C)(C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821772616 607092565 /nfs/dbraw/zinc/09/25/65/607092565.db2.gz IEQPHDYSZHUWAV-UHFFFAOYSA-N -1 1 353.382 2.291 20 0 FEADMM COc1ccc(C(C)(C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821772616 607092566 /nfs/dbraw/zinc/09/25/66/607092566.db2.gz IEQPHDYSZHUWAV-UHFFFAOYSA-N -1 1 353.382 2.291 20 0 FEADMM O=C(Cc1ccc(-n2cccc2)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823082451 607105182 /nfs/dbraw/zinc/10/51/82/607105182.db2.gz JIYCBLQFPKFMJS-UHFFFAOYSA-N -1 1 351.395 2.295 20 0 FEADMM O=C(Cc1ccc(-n2cccc2)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823082451 607105184 /nfs/dbraw/zinc/10/51/84/607105184.db2.gz JIYCBLQFPKFMJS-UHFFFAOYSA-N -1 1 351.395 2.295 20 0 FEADMM CCc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1-c1ccccc1 ZINC000821462274 607107956 /nfs/dbraw/zinc/10/79/56/607107956.db2.gz XZWGPOMBFVDHDO-UHFFFAOYSA-N -1 1 366.410 2.324 20 0 FEADMM CCc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1-c1ccccc1 ZINC000821462274 607107958 /nfs/dbraw/zinc/10/79/58/607107958.db2.gz XZWGPOMBFVDHDO-UHFFFAOYSA-N -1 1 366.410 2.324 20 0 FEADMM CCOc1ccc(SCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821427701 607108012 /nfs/dbraw/zinc/10/80/12/607108012.db2.gz YNBROIMPZCZKBF-UHFFFAOYSA-N -1 1 362.440 2.453 20 0 FEADMM CCOc1ccc(SCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821427701 607108013 /nfs/dbraw/zinc/10/80/13/607108013.db2.gz YNBROIMPZCZKBF-UHFFFAOYSA-N -1 1 362.440 2.453 20 0 FEADMM COCc1c2ccccc2oc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821695414 607108118 /nfs/dbraw/zinc/10/81/18/607108118.db2.gz YGBXFXLEMNFOKB-UHFFFAOYSA-N -1 1 356.367 2.468 20 0 FEADMM COCc1c2ccccc2oc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821695414 607108120 /nfs/dbraw/zinc/10/81/20/607108120.db2.gz YGBXFXLEMNFOKB-UHFFFAOYSA-N -1 1 356.367 2.468 20 0 FEADMM CCn1cc(Br)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821565552 607109350 /nfs/dbraw/zinc/10/93/50/607109350.db2.gz YMFFRXOSTDEEDV-UHFFFAOYSA-N -1 1 368.220 2.159 20 0 FEADMM CCn1cc(Br)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821565552 607109351 /nfs/dbraw/zinc/10/93/51/607109351.db2.gz YMFFRXOSTDEEDV-UHFFFAOYSA-N -1 1 368.220 2.159 20 0 FEADMM CC1(C)C(=O)Nc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc21 ZINC000820578244 607211882 /nfs/dbraw/zinc/21/18/82/607211882.db2.gz ZBBVBWSKAGSXMC-UHFFFAOYSA-N -1 1 364.365 2.054 20 0 FEADMM Cc1oc(NC(=O)CN(C)c2ccccc2N(C)C)c(-c2nn[n-]n2)c1C ZINC000826341484 607791649 /nfs/dbraw/zinc/79/16/49/607791649.db2.gz IVTQLKCIPXKVQB-UHFFFAOYSA-N -1 1 369.429 2.217 20 0 FEADMM Cc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826292100 607874786 /nfs/dbraw/zinc/87/47/86/607874786.db2.gz IHDRAMGTLILFBM-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826292100 607874787 /nfs/dbraw/zinc/87/47/87/607874787.db2.gz IHDRAMGTLILFBM-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM c1coc(CNc2nnc(Sc3cccc(-c4nnn[n-]4)n3)s2)c1 ZINC000826517683 607896150 /nfs/dbraw/zinc/89/61/50/607896150.db2.gz LNMQBYPPAHUCIR-UHFFFAOYSA-N -1 1 358.412 2.470 20 0 FEADMM c1coc(CNc2nnc(Sc3cccc(-c4nn[n-]n4)n3)s2)c1 ZINC000826517683 607896151 /nfs/dbraw/zinc/89/61/51/607896151.db2.gz LNMQBYPPAHUCIR-UHFFFAOYSA-N -1 1 358.412 2.470 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824109837 607897102 /nfs/dbraw/zinc/89/71/02/607897102.db2.gz WTWDGQXNVYRFJH-LBPRGKRZSA-N -1 1 359.434 2.003 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824109837 607897103 /nfs/dbraw/zinc/89/71/03/607897103.db2.gz WTWDGQXNVYRFJH-LBPRGKRZSA-N -1 1 359.434 2.003 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCN1c1nc2ccccc2o1 ZINC000824999189 607899289 /nfs/dbraw/zinc/89/92/89/607899289.db2.gz DKCKCHFKIXFEIV-LBPRGKRZSA-N -1 1 362.397 2.118 20 0 FEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCN1c1nc2ccccc2o1 ZINC000824999189 607899290 /nfs/dbraw/zinc/89/92/90/607899290.db2.gz DKCKCHFKIXFEIV-LBPRGKRZSA-N -1 1 362.397 2.118 20 0 FEADMM FC(F)Oc1cccc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)c1 ZINC000826370526 607969026 /nfs/dbraw/zinc/96/90/26/607969026.db2.gz XCCDTZZVXHVUQJ-AWEZNQCLSA-N -1 1 374.351 2.441 20 0 FEADMM FC(F)Oc1cccc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)c1 ZINC000826370526 607969027 /nfs/dbraw/zinc/96/90/27/607969027.db2.gz XCCDTZZVXHVUQJ-AWEZNQCLSA-N -1 1 374.351 2.441 20 0 FEADMM CC(C)Cc1ccc([C@H](C)NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824280180 608013374 /nfs/dbraw/zinc/01/33/74/608013374.db2.gz FTCUTNLTJDPLAK-ZDUSSCGKSA-N -1 1 353.430 2.139 20 0 FEADMM CC(C)Cc1ccc([C@H](C)NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824280180 608013375 /nfs/dbraw/zinc/01/33/75/608013375.db2.gz FTCUTNLTJDPLAK-ZDUSSCGKSA-N -1 1 353.430 2.139 20 0 FEADMM Cc1oc(NC(=O)CN(Cc2ccncc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826342145 608079540 /nfs/dbraw/zinc/07/95/40/608079540.db2.gz ZBEDYJHLYKGYKP-UHFFFAOYSA-N -1 1 367.413 2.075 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826231451 608141151 /nfs/dbraw/zinc/14/11/51/608141151.db2.gz LXJKVTOLDLOPDT-SNVBAGLBSA-N -1 1 374.470 2.017 20 0 FEADMM Cc1nccc([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000826330269 608179182 /nfs/dbraw/zinc/17/91/82/608179182.db2.gz MOKZTBUSIXGMPQ-SECBINFHSA-N -1 1 362.850 2.459 20 0 FEADMM Cc1nccc([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000826330269 608179183 /nfs/dbraw/zinc/17/91/83/608179183.db2.gz MOKZTBUSIXGMPQ-SECBINFHSA-N -1 1 362.850 2.459 20 0 FEADMM Clc1nsc(NCc2ccnc(-n3ccnc3)c2)c1-c1nnn[n-]1 ZINC000826354530 608179358 /nfs/dbraw/zinc/17/93/58/608179358.db2.gz IZXZFNUUDPRHBQ-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM Clc1nsc(NCc2ccnc(-n3ccnc3)c2)c1-c1nn[n-]n1 ZINC000826354530 608179359 /nfs/dbraw/zinc/17/93/59/608179359.db2.gz IZXZFNUUDPRHBQ-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM O=C(Nc1cccc(OCC(F)F)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826457331 608181089 /nfs/dbraw/zinc/18/10/89/608181089.db2.gz WQLZLKCYZDCVID-UHFFFAOYSA-N -1 1 352.326 2.219 20 0 FEADMM O=C(Nc1cccc(OCC(F)F)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826457331 608181091 /nfs/dbraw/zinc/18/10/91/608181091.db2.gz WQLZLKCYZDCVID-UHFFFAOYSA-N -1 1 352.326 2.219 20 0 FEADMM Cc1nc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)sc1C ZINC000826326753 608366008 /nfs/dbraw/zinc/36/60/08/608366008.db2.gz CJSUFPDEVWVAFN-UHFFFAOYSA-N -1 1 372.458 2.132 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826333115 608397551 /nfs/dbraw/zinc/39/75/51/608397551.db2.gz UQIQEVDOVOYNOS-UHFFFAOYSA-N -1 1 361.413 2.196 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826333115 608397552 /nfs/dbraw/zinc/39/75/52/608397552.db2.gz UQIQEVDOVOYNOS-UHFFFAOYSA-N -1 1 361.413 2.196 20 0 FEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000824656846 608399503 /nfs/dbraw/zinc/39/95/03/608399503.db2.gz NIRXQBXZBLYFQB-SNVBAGLBSA-N -1 1 365.401 2.114 20 0 FEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000824656846 608399504 /nfs/dbraw/zinc/39/95/04/608399504.db2.gz NIRXQBXZBLYFQB-SNVBAGLBSA-N -1 1 365.401 2.114 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824108249 608424302 /nfs/dbraw/zinc/42/43/02/608424302.db2.gz DHOPXVGQLGWUHR-NEPJUHHUSA-N -1 1 374.449 2.152 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824108249 608424303 /nfs/dbraw/zinc/42/43/03/608424303.db2.gz DHOPXVGQLGWUHR-NEPJUHHUSA-N -1 1 374.449 2.152 20 0 FEADMM Cc1ccc(CCN(C[C@@H]2CCCO2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826287499 608426707 /nfs/dbraw/zinc/42/67/07/608426707.db2.gz RBOZLCLORVVEJT-INIZCTEOSA-N -1 1 365.441 2.193 20 0 FEADMM Cc1ccc(CCN(C[C@@H]2CCCO2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826287499 608426709 /nfs/dbraw/zinc/42/67/09/608426709.db2.gz RBOZLCLORVVEJT-INIZCTEOSA-N -1 1 365.441 2.193 20 0 FEADMM C[C@H](CO)N(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824443024 608490747 /nfs/dbraw/zinc/49/07/47/608490747.db2.gz ZURZGURIMRJGIL-LLVKDONJSA-N -1 1 372.454 2.117 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@]2(C)CCCc3ccccc32)n1 ZINC000826357198 608494584 /nfs/dbraw/zinc/49/45/84/608494584.db2.gz VRCINRUAGFCSHR-SFHVURJKSA-N -1 1 366.429 2.016 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@]2(C)CCCc3ccccc32)n1 ZINC000826357198 608494585 /nfs/dbraw/zinc/49/45/85/608494585.db2.gz VRCINRUAGFCSHR-SFHVURJKSA-N -1 1 366.429 2.016 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC1CCC(C)(C)CC1 ZINC000825923257 608556351 /nfs/dbraw/zinc/55/63/51/608556351.db2.gz DOYQNDGOQHBAHH-UHFFFAOYSA-N -1 1 374.493 2.170 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC1CCC(C)(C)CC1 ZINC000825923257 608556352 /nfs/dbraw/zinc/55/63/52/608556352.db2.gz DOYQNDGOQHBAHH-UHFFFAOYSA-N -1 1 374.493 2.170 20 0 FEADMM CCCCCC[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825271414 608556439 /nfs/dbraw/zinc/55/64/39/608556439.db2.gz JFDAFWWELGFTIX-GFCCVEGCSA-N -1 1 362.482 2.170 20 0 FEADMM CCCCCC[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825271414 608556440 /nfs/dbraw/zinc/55/64/40/608556440.db2.gz JFDAFWWELGFTIX-GFCCVEGCSA-N -1 1 362.482 2.170 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000826425263 608891645 /nfs/dbraw/zinc/89/16/45/608891645.db2.gz WIWIRAYWXLOLNC-KRWDZBQOSA-N -1 1 373.420 2.163 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000826425263 608891646 /nfs/dbraw/zinc/89/16/46/608891646.db2.gz WIWIRAYWXLOLNC-KRWDZBQOSA-N -1 1 373.420 2.163 20 0 FEADMM O=C(NC[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nnn[n-]2)s1 ZINC000826434870 609236365 /nfs/dbraw/zinc/23/63/65/609236365.db2.gz ABFYLSAGKMDOER-NSHDSACASA-N -1 1 363.443 2.124 20 0 FEADMM O=C(NC[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)s1 ZINC000826434870 609236366 /nfs/dbraw/zinc/23/63/66/609236366.db2.gz ABFYLSAGKMDOER-NSHDSACASA-N -1 1 363.443 2.124 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCCS1 ZINC000826458355 609290107 /nfs/dbraw/zinc/29/01/07/609290107.db2.gz MQWQYGDPWPZZOW-LLVKDONJSA-N -1 1 359.390 2.026 20 0 FEADMM C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@H]1C ZINC000824948752 609358216 /nfs/dbraw/zinc/35/82/16/609358216.db2.gz VQVCFPUBTOBQFV-MNOVXSKESA-N -1 1 370.392 2.454 20 0 FEADMM CC[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825204919 609359312 /nfs/dbraw/zinc/35/93/12/609359312.db2.gz UFHXSLXKKBCYDW-NSHDSACASA-N -1 1 370.392 2.455 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](F)C2)c(-c2nn[n-]n2)c1C ZINC000826341614 609374875 /nfs/dbraw/zinc/37/48/75/609374875.db2.gz MBFAINOPWLCSBM-QRTLGDNMSA-N -1 1 350.398 2.083 20 0 FEADMM CN(C)[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000825851992 609622945 /nfs/dbraw/zinc/62/29/45/609622945.db2.gz ZQTCIYOZGOEBCT-OAHLLOKOSA-N -1 1 372.816 2.261 20 0 FEADMM CN(C)[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000825851992 609622946 /nfs/dbraw/zinc/62/29/46/609622946.db2.gz ZQTCIYOZGOEBCT-OAHLLOKOSA-N -1 1 372.816 2.261 20 0 FEADMM Cc1csc(CCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810903511 674567726 /nfs/dbraw/zinc/56/77/26/674567726.db2.gz KBMJUMLORIGHFW-LLVKDONJSA-N -1 1 363.405 2.301 20 0 FEADMM COC(=O)CCCO[N-]C(=O)Cc1sc(SC(F)F)nc1C ZINC000811562136 674614072 /nfs/dbraw/zinc/61/40/72/674614072.db2.gz KASFPLULERHEHZ-UHFFFAOYSA-N -1 1 354.400 2.310 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc(F)c1F ZINC000811716996 674622652 /nfs/dbraw/zinc/62/26/52/674622652.db2.gz UUCAOFVMUKJZTG-UHFFFAOYSA-N -1 1 369.305 2.046 20 0 FEADMM COC(=O)c1nc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)sc1C ZINC000811856268 674633716 /nfs/dbraw/zinc/63/37/16/674633716.db2.gz MSGWQECIYQVSPV-SECBINFHSA-N -1 1 365.377 2.133 20 0 FEADMM CO[C@@H](C)c1nsc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811856889 674633805 /nfs/dbraw/zinc/63/38/05/674633805.db2.gz VXGQMAPGDUTFHX-DTWKUNHWSA-N -1 1 352.382 2.140 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C)cc1C(=O)OC ZINC000562229090 674730868 /nfs/dbraw/zinc/73/08/68/674730868.db2.gz DQDPIQFDYZHQII-UHFFFAOYSA-N -1 1 357.428 2.438 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H](O)c2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813635602 674763635 /nfs/dbraw/zinc/76/36/35/674763635.db2.gz ZBIFCCJFRMUAAT-IMIFBBOLSA-N -1 1 358.360 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ZINC000572915511 671058946 /nfs/dbraw/zinc/05/89/46/671058946.db2.gz XZGVUZIQBOXYIY-UMVBOHGHSA-N -1 1 365.817 2.399 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)c1 ZINC000573057569 671075884 /nfs/dbraw/zinc/07/58/84/671075884.db2.gz GIHSIUFXKQAKAZ-UHFFFAOYSA-N -1 1 356.407 2.193 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)c1 ZINC000573057569 671075889 /nfs/dbraw/zinc/07/58/89/671075889.db2.gz GIHSIUFXKQAKAZ-UHFFFAOYSA-N -1 1 356.407 2.193 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]1C1CC1 ZINC000573793511 671165079 /nfs/dbraw/zinc/16/50/79/671165079.db2.gz ARXPGOPBTBVODN-LBPRGKRZSA-N -1 1 363.266 2.283 20 0 FEADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc2c(cccc2F)o1 ZINC000573896743 671178468 /nfs/dbraw/zinc/17/84/68/671178468.db2.gz CNMDLVBEOJRSMT-LLVKDONJSA-N -1 1 364.402 2.883 20 0 FEADMM O=S(=O)([N-][C@@H](CO)c1ccc(F)cc1)c1ccc(Br)o1 ZINC000574489607 671246052 /nfs/dbraw/zinc/24/60/52/671246052.db2.gz MSVPNBFXVQWPQU-JTQLQIEISA-N -1 1 364.192 2.193 20 0 FEADMM Cn1cnc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)n1 ZINC000576268006 671356654 /nfs/dbraw/zinc/35/66/54/671356654.db2.gz AJFSZTGQJNBUEL-UHFFFAOYSA-N -1 1 366.859 2.865 20 0 FEADMM COC(=O)C[C@@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000576315755 671360150 /nfs/dbraw/zinc/36/01/50/671360150.db2.gz QYCVUGDLFRHARU-MRVPVSSYSA-N -1 1 367.199 2.384 20 0 FEADMM CCS(=O)(=O)c1ccccc1NCCCN1CCC(C(=O)[O-])CC1 ZINC000576707676 671388726 /nfs/dbraw/zinc/38/87/26/671388726.db2.gz XOJKIOHICGHVEF-UHFFFAOYSA-N -1 1 354.472 2.079 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(C3CC3)n2)c(Cl)c1 ZINC000576871931 671400887 /nfs/dbraw/zinc/40/08/87/671400887.db2.gz GPFXCSVZXUUQRM-SECBINFHSA-N -1 1 368.846 2.445 20 0 FEADMM O=C(NCCNC(=O)c1c(F)ccc([O-])c1F)c1c(F)cccc1F ZINC000577287908 671585421 /nfs/dbraw/zinc/58/54/21/671585421.db2.gz MASXCWXCERZMQS-UHFFFAOYSA-N -1 1 356.275 2.108 20 0 FEADMM CS(=O)(=O)N1CCCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000577642708 671610613 /nfs/dbraw/zinc/61/06/13/671610613.db2.gz RHAUHZGIILYEAQ-UHFFFAOYSA-N -1 1 368.480 2.067 20 0 FEADMM O=c1cc(C(F)F)nc(SCCNS(=O)(=O)c2ccccc2)[n-]1 ZINC000577920853 671628481 /nfs/dbraw/zinc/62/84/81/671628481.db2.gz GDFPOQFWJRCINF-UHFFFAOYSA-N -1 1 361.395 2.190 20 0 FEADMM Cc1c(Br)ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1F ZINC000577927232 671628678 /nfs/dbraw/zinc/62/86/78/671628678.db2.gz SYRZWXTWRSDYET-VIFPVBQESA-N -1 1 368.210 2.430 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2nc3ccccc3s2)no1 ZINC000579001581 671705074 /nfs/dbraw/zinc/70/50/74/671705074.db2.gz KOSDZQREIMPGKM-SECBINFHSA-N -1 1 368.440 2.255 20 0 FEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2nc3ccccc3s2)no1 ZINC000579001582 671705185 /nfs/dbraw/zinc/70/51/85/671705185.db2.gz KOSDZQREIMPGKM-VIFPVBQESA-N -1 1 368.440 2.255 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000579308846 671726128 /nfs/dbraw/zinc/72/61/28/671726128.db2.gz AASGETVZCLMLLZ-UHFFFAOYSA-N -1 1 358.379 2.059 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)on1 ZINC000579313834 671726458 /nfs/dbraw/zinc/72/64/58/671726458.db2.gz TWHIPZSBEDRZCC-UHFFFAOYSA-N -1 1 360.819 2.386 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccccc1OCCC(C)C ZINC000580245406 671792336 /nfs/dbraw/zinc/79/23/36/671792336.db2.gz MKRYMLJEBRQITK-UHFFFAOYSA-N -1 1 353.444 2.469 20 0 FEADMM CC(C)(C)c1cc(NCCN2CCc3sccc3C2)nc(C(=O)[O-])n1 ZINC000580569298 671818899 /nfs/dbraw/zinc/81/88/99/671818899.db2.gz IPECFHBOYXIFKP-UHFFFAOYSA-N -1 1 360.483 2.426 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccsc1 ZINC000121144547 671943409 /nfs/dbraw/zinc/94/34/09/671943409.db2.gz XRJPLLKINSNPEP-ZDUSSCGKSA-N -1 1 351.371 2.351 20 0 FEADMM O=C(CCNC(=O)c1cccs1)Nc1nc(Br)ccc1[O-] ZINC000121544840 671952228 /nfs/dbraw/zinc/95/22/28/671952228.db2.gz YKSVSTYAGLSRSM-UHFFFAOYSA-N -1 1 370.228 2.370 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000582381988 671996527 /nfs/dbraw/zinc/99/65/27/671996527.db2.gz NXWJRELZQQECFN-UHFFFAOYSA-N -1 1 353.297 2.409 20 0 FEADMM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000128936031 672054910 /nfs/dbraw/zinc/05/49/10/672054910.db2.gz SEAFOSKQSIUFBE-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM CC(C)(CNC(=O)Cc1sc(N)nc1[O-])Cc1cccc(Cl)c1 ZINC000132112077 672094732 /nfs/dbraw/zinc/09/47/32/672094732.db2.gz WRUICSLLODNIHC-GFCCVEGCSA-N -1 1 353.875 2.372 20 0 FEADMM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000583972644 672143580 /nfs/dbraw/zinc/14/35/80/672143580.db2.gz RXYTXVHFWBRODF-GZMMTYOYSA-N -1 1 354.313 2.206 20 0 FEADMM CCN(CC)C(=O)CNC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000138353185 672143976 /nfs/dbraw/zinc/14/39/76/672143976.db2.gz NAIYTRPYCHYRIW-UHFFFAOYSA-N -1 1 367.500 2.044 20 0 FEADMM COc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)ccc1[N-]S(C)(=O)=O ZINC000584108007 672156348 /nfs/dbraw/zinc/15/63/48/672156348.db2.gz HMSGZKIOTILJNJ-CZUORRHYSA-N -1 1 370.471 2.456 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)/C=C/SCc1ccco1 ZINC000152365708 672180144 /nfs/dbraw/zinc/18/01/44/672180144.db2.gz FHTXEIFFYFQPEC-FNORWQNLSA-N -1 1 358.423 2.296 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)co1 ZINC000152526150 672183374 /nfs/dbraw/zinc/18/33/74/672183374.db2.gz UVCSDAJRMXOXRA-MRVPVSSYSA-N -1 1 360.794 2.471 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c1Cl ZINC000153668176 672202436 /nfs/dbraw/zinc/20/24/36/672202436.db2.gz JWJYWCLGVVYFJB-UHFFFAOYSA-N -1 1 358.832 2.269 20 0 FEADMM CCCCn1ncc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1C ZINC000154677892 672220594 /nfs/dbraw/zinc/22/05/94/672220594.db2.gz LOBAKBHCUVAXLY-UHFFFAOYSA-N -1 1 350.806 2.425 20 0 FEADMM CS(=O)(=O)c1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000156396786 672246290 /nfs/dbraw/zinc/24/62/90/672246290.db2.gz UTHHXMPDENXDIF-UHFFFAOYSA-N -1 1 371.212 2.206 20 0 FEADMM O=S(=O)([N-]C[C@]1(O)CCCc2ccccc21)c1cc(F)ccc1F ZINC000161621522 672298771 /nfs/dbraw/zinc/29/87/71/672298771.db2.gz YHMCRBRRKXRBTJ-QGZVFWFLSA-N -1 1 353.390 2.467 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000174035600 672357282 /nfs/dbraw/zinc/35/72/82/672357282.db2.gz SDMJACHYWOLMKZ-MRVPVSSYSA-N -1 1 361.855 2.102 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1C ZINC000178571165 672392533 /nfs/dbraw/zinc/39/25/33/672392533.db2.gz UCOGXBPNQOEGCW-UHFFFAOYSA-N -1 1 356.835 2.183 20 0 FEADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000611043632 676013663 /nfs/dbraw/zinc/01/36/63/676013663.db2.gz TUYQVOOWNPHWDJ-LBPRGKRZSA-N -1 1 367.471 2.408 20 0 FEADMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)ccc21 ZINC000182493111 672446489 /nfs/dbraw/zinc/44/64/89/672446489.db2.gz URKDZVNNYISYEZ-UHFFFAOYSA-N -1 1 354.771 2.291 20 0 FEADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182920794 672456380 /nfs/dbraw/zinc/45/63/80/672456380.db2.gz UEPCWCSQBPSHTA-LLVKDONJSA-N -1 1 359.245 2.323 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccn(-c3ccccc3Cl)n2)n[nH]1 ZINC000183260425 672463870 /nfs/dbraw/zinc/46/38/70/672463870.db2.gz LGRUUTANEYMABP-UHFFFAOYSA-N -1 1 359.777 2.024 20 0 FEADMM O=C(N[N-]C(=O)c1ccc(Cl)cc1F)Nc1ccncc1[N+](=O)[O-] ZINC000183442228 672468493 /nfs/dbraw/zinc/46/84/93/672468493.db2.gz HXEZQTPRBDUMOB-UHFFFAOYSA-N -1 1 353.697 2.249 20 0 FEADMM CCN(CC)[C@@H](C(=O)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000183443047 672468998 /nfs/dbraw/zinc/46/89/98/672468998.db2.gz VJMHPBUYZLRARK-OAHLLOKOSA-N -1 1 365.455 2.179 20 0 FEADMM Cc1cc(CNC(=O)c2cc(I)ccc2[O-])ncn1 ZINC000611141231 676020642 /nfs/dbraw/zinc/02/06/42/676020642.db2.gz YZAIUEZDUCWTKY-UHFFFAOYSA-N -1 1 369.162 2.025 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@H](C)[C@H](F)C2)cc1[N-]S(C)(=O)=O ZINC000679233760 672478858 /nfs/dbraw/zinc/47/88/58/672478858.db2.gz WUFSLBOLTBWYMU-CMPLNLGQSA-N -1 1 359.423 2.279 20 0 FEADMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)c1ccco1 ZINC000184274609 672495660 /nfs/dbraw/zinc/49/56/60/672495660.db2.gz NGWMMFYMYYXXMC-JTQLQIEISA-N -1 1 360.775 2.243 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1OC ZINC000679648110 672513265 /nfs/dbraw/zinc/51/32/65/672513265.db2.gz QVTJKPXAHQKEKN-UHFFFAOYSA-N -1 1 360.794 2.422 20 0 FEADMM Cc1cc(NS(=O)(=O)c2ccnn2C)ccc1-n1cccc1C(=O)[O-] ZINC000589435083 672525486 /nfs/dbraw/zinc/52/54/86/672525486.db2.gz FHLYPMZXRRVJMT-UHFFFAOYSA-N -1 1 360.395 2.018 20 0 FEADMM Cc1nc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)n(C)n1 ZINC000185836425 672535704 /nfs/dbraw/zinc/53/57/04/672535704.db2.gz PUDCXMYLJWZAPQ-UHFFFAOYSA-N -1 1 370.381 2.454 20 0 FEADMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1ccsc1 ZINC000186270084 672544294 /nfs/dbraw/zinc/54/42/94/672544294.db2.gz CHPVZWRZNYFGBF-LLVKDONJSA-N -1 1 362.816 2.322 20 0 FEADMM O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187108756 672561924 /nfs/dbraw/zinc/56/19/24/672561924.db2.gz PXILGBOULAHHSZ-GFCCVEGCSA-N -1 1 372.164 2.466 20 0 FEADMM N#Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1[O-] ZINC000188660216 672595783 /nfs/dbraw/zinc/59/57/83/672595783.db2.gz GSFJHDZSHZNVPX-GOEBONIOSA-N -1 1 358.419 2.290 20 0 FEADMM COCc1ccccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000680705944 672598689 /nfs/dbraw/zinc/59/86/89/672598689.db2.gz IHWWKBFKHLHATN-UHFFFAOYSA-N -1 1 365.436 2.423 20 0 FEADMM O=C([N-]c1nn2cnnc2s1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000590807787 672621341 /nfs/dbraw/zinc/62/13/41/672621341.db2.gz YJOZJFJNRRPUHF-UHFFFAOYSA-N -1 1 372.391 2.290 20 0 FEADMM CN1CCN([C@@H](C(=O)Nc2nc(Cl)ccc2[O-])c2ccccc2)CC1 ZINC000189851195 672624862 /nfs/dbraw/zinc/62/48/62/672624862.db2.gz WXXNDDBTDCLUAO-MRXNPFEDSA-N -1 1 360.845 2.368 20 0 FEADMM CCC[C@@](C)([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000592013583 672733918 /nfs/dbraw/zinc/73/39/18/672733918.db2.gz COSMAIFTEAWBJL-GFCCVEGCSA-N -1 1 354.350 2.111 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000592026915 672736270 /nfs/dbraw/zinc/73/62/70/672736270.db2.gz ASJKXIOYFHLVNU-QMMMGPOBSA-N -1 1 354.350 2.109 20 0 FEADMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592048038 672742096 /nfs/dbraw/zinc/74/20/96/672742096.db2.gz AEAHSLPFUAYSKE-SNVBAGLBSA-N -1 1 368.377 2.499 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1cnccc1C(F)(F)F ZINC000682367104 672749917 /nfs/dbraw/zinc/74/99/17/672749917.db2.gz FQYBPCRIZISXGL-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000195077056 672775111 /nfs/dbraw/zinc/77/51/11/672775111.db2.gz JRGNIRDBEMLYIK-JTQLQIEISA-N -1 1 357.435 2.215 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195112781 672775770 /nfs/dbraw/zinc/77/57/70/672775770.db2.gz USGJUQFYKPBYJU-VHSXEESVSA-N -1 1 370.862 2.202 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195112781 672775772 /nfs/dbraw/zinc/77/57/72/672775772.db2.gz USGJUQFYKPBYJU-VHSXEESVSA-N -1 1 370.862 2.202 20 0 FEADMM C[C@H]1C[C@@H](O)CN1c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000682619837 672779844 /nfs/dbraw/zinc/77/98/44/672779844.db2.gz MADKUGOQXDGOPI-CMPLNLGQSA-N -1 1 369.393 2.120 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000592353102 672790610 /nfs/dbraw/zinc/79/06/10/672790610.db2.gz SMHARAXLURJWDI-INIZCTEOSA-N -1 1 373.471 2.422 20 0 FEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1ccc(-n2cncn2)cn1 ZINC000683714383 672868669 /nfs/dbraw/zinc/86/86/69/672868669.db2.gz VINHNXYDZSLSMH-UHFFFAOYSA-N -1 1 367.793 2.397 20 0 FEADMM Cc1nc(CS(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cs1 ZINC000684100275 672904410 /nfs/dbraw/zinc/90/44/10/672904410.db2.gz JUTNXIAUDRDPRF-XHDPSFHLSA-N -1 1 365.480 2.065 20 0 FEADMM C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(Br)c([O-])c1)CCO2 ZINC000684334269 672926586 /nfs/dbraw/zinc/92/65/86/672926586.db2.gz IOSKOYIPDLZTJO-ZUZCIYMTSA-N -1 1 356.216 2.175 20 0 FEADMM CSCCCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858995235 683023399 /nfs/dbraw/zinc/02/33/99/683023399.db2.gz CAHRIVVCMSLSKG-UHFFFAOYSA-N -1 1 357.270 2.405 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2c[nH]c3ccccc23)o1 ZINC000593840777 672997848 /nfs/dbraw/zinc/99/78/48/672997848.db2.gz PDPFMZZKCVVITH-UHFFFAOYSA-N -1 1 361.423 2.032 20 0 FEADMM CCc1nc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cs1 ZINC000593882841 673004107 /nfs/dbraw/zinc/00/41/07/673004107.db2.gz JTPFZGLQXXDGEE-UHFFFAOYSA-N -1 1 371.484 2.305 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 ZINC000310479582 673024175 /nfs/dbraw/zinc/02/41/75/673024175.db2.gz VYVBNDDRADNJIY-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM Cc1ccc(S(=O)(=O)NCC(=O)Nc2c([O-])cccc2F)cc1C ZINC000685743043 673040152 /nfs/dbraw/zinc/04/01/52/673040152.db2.gz NCNQLZFSSCZKQH-UHFFFAOYSA-N -1 1 352.387 2.065 20 0 FEADMM CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000322585290 673042374 /nfs/dbraw/zinc/04/23/74/673042374.db2.gz DYCSUAUPTFSLDR-LLVKDONJSA-N -1 1 360.863 2.143 20 0 FEADMM NC(=O)Cc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000685878222 673051233 /nfs/dbraw/zinc/05/12/33/673051233.db2.gz HTNVUTLKJFSQIC-UHFFFAOYSA-N -1 1 363.211 2.113 20 0 FEADMM CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)C(C)(C)C(=O)[O-] ZINC000327578541 673060939 /nfs/dbraw/zinc/06/09/39/673060939.db2.gz GFVQKVMJXYEBFC-HNNXBMFYSA-N -1 1 351.447 2.193 20 0 FEADMM CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccc1Br ZINC000594845614 673160536 /nfs/dbraw/zinc/16/05/36/673160536.db2.gz XNLQTUBZEUPAKI-LBPRGKRZSA-N -1 1 364.261 2.383 20 0 FEADMM CO[C@@H](C)c1nsc(=N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)[n-]1 ZINC000594598053 673104316 /nfs/dbraw/zinc/10/43/16/673104316.db2.gz BMCQEJUYAFELJH-WCQYABFASA-N -1 1 364.471 2.427 20 0 FEADMM COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000594729080 673124737 /nfs/dbraw/zinc/12/47/37/673124737.db2.gz HYKJMGSLCYJQDT-UHFFFAOYSA-N -1 1 371.846 2.153 20 0 FEADMM COC(=O)N1CCC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000726625623 673132870 /nfs/dbraw/zinc/13/28/70/673132870.db2.gz RPDHNMQJDHRJNR-SNVBAGLBSA-N -1 1 357.204 2.115 20 0 FEADMM CC(C)(C)c1nc(CC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cs1 ZINC000726835259 673142345 /nfs/dbraw/zinc/14/23/45/673142345.db2.gz RFAGUNCANPLVEF-UHFFFAOYSA-N -1 1 360.435 2.483 20 0 FEADMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000594865724 673171160 /nfs/dbraw/zinc/17/11/60/673171160.db2.gz MBBSXEGVLQVDED-CYBMUJFWSA-N -1 1 355.790 2.190 20 0 FEADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CCOC1=O ZINC000727832217 673184132 /nfs/dbraw/zinc/18/41/32/673184132.db2.gz PNVAOMRJCKKING-QGZVFWFLSA-N -1 1 360.435 2.235 20 0 FEADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000728959974 673216869 /nfs/dbraw/zinc/21/68/69/673216869.db2.gz MIUVLRXIVLPGKF-UHFFFAOYSA-N -1 1 359.769 2.116 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCC2)cc1C ZINC000595314793 673222258 /nfs/dbraw/zinc/22/22/58/673222258.db2.gz ARVPUYIQEIUVKU-UHFFFAOYSA-N -1 1 370.452 2.497 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)cc1C ZINC000595325822 673225043 /nfs/dbraw/zinc/22/50/43/673225043.db2.gz XKSQZINJYMFGGD-GFCCVEGCSA-N -1 1 351.380 2.095 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)C2CCCCC2)o1 ZINC000595376619 673236983 /nfs/dbraw/zinc/23/69/83/673236983.db2.gz KVCQAEXRXSUHBV-CQSZACIVSA-N -1 1 359.444 2.330 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H](C)CC ZINC000462584227 673266072 /nfs/dbraw/zinc/26/60/72/673266072.db2.gz IZURIGBXIONQLB-ISVAXAHUSA-N -1 1 353.362 2.360 20 0 FEADMM C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)OCC ZINC000463233897 673302837 /nfs/dbraw/zinc/30/28/37/673302837.db2.gz QDTPOTZQLDXIHS-KTLBGCOUSA-N -1 1 351.346 2.280 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)c[nH]1 ZINC000596020744 673349054 /nfs/dbraw/zinc/34/90/54/673349054.db2.gz FXRRJAKDEUUUQS-ZDUSSCGKSA-N -1 1 372.349 2.389 20 0 FEADMM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000732306705 673362674 /nfs/dbraw/zinc/36/26/74/673362674.db2.gz OXFLQYMRIXTLAP-UHFFFAOYSA-N -1 1 368.842 2.390 20 0 FEADMM CCc1nnc([C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)CC)o1 ZINC000732332698 673364188 /nfs/dbraw/zinc/36/41/88/673364188.db2.gz XNUSPNLTZAZHTC-SNVBAGLBSA-N -1 1 353.400 2.312 20 0 FEADMM CCSc1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000538605530 673447545 /nfs/dbraw/zinc/44/75/45/673447545.db2.gz UFIBWMBUCDMDKW-UHFFFAOYSA-N -1 1 352.437 2.404 20 0 FEADMM CC(C)(NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nn[n-]n1 ZINC000539401278 673488838 /nfs/dbraw/zinc/48/88/38/673488838.db2.gz PBONUTWIXOLGSU-UHFFFAOYSA-N -1 1 363.271 2.068 20 0 FEADMM O=C(NCCC1CSC1)c1cc(I)ccc1[O-] ZINC000597790153 673507367 /nfs/dbraw/zinc/50/73/67/673507367.db2.gz RPASSGNVZZQPQA-UHFFFAOYSA-N -1 1 363.220 2.480 20 0 FEADMM CC(C)c1nc2c(n1C)CCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000735942252 673508720 /nfs/dbraw/zinc/50/87/20/673508720.db2.gz GLPJICASUKCZNZ-UHFFFAOYSA-N -1 1 358.837 2.335 20 0 FEADMM CC(C)c1nc2c(n1C)CCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000735942252 673508722 /nfs/dbraw/zinc/50/87/22/673508722.db2.gz GLPJICASUKCZNZ-UHFFFAOYSA-N -1 1 358.837 2.335 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)C2CCCCC2)o1 ZINC000539981360 673517385 /nfs/dbraw/zinc/51/73/85/673517385.db2.gz HUAPTUJUKXBZLO-CYBMUJFWSA-N -1 1 372.487 2.027 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1F ZINC000541391371 673552430 /nfs/dbraw/zinc/55/24/30/673552430.db2.gz VNNYXMFGVFKJPA-LBPRGKRZSA-N -1 1 359.369 2.376 20 0 FEADMM COC(=O)C(C)(C)n1cc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000598373137 673563248 /nfs/dbraw/zinc/56/32/48/673563248.db2.gz XOJZFKXHVSIMPA-UHFFFAOYSA-N -1 1 367.789 2.411 20 0 FEADMM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000598477857 673573837 /nfs/dbraw/zinc/57/38/37/673573837.db2.gz BSPMAFNYHZZBHL-QLJPJBMISA-N -1 1 353.444 2.064 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(C)CCCO)o1 ZINC000542637893 673594511 /nfs/dbraw/zinc/59/45/11/673594511.db2.gz OIKQPJFDPRKDER-KRWDZBQOSA-N -1 1 372.487 2.124 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)o1 ZINC000739368877 673631183 /nfs/dbraw/zinc/63/11/83/673631183.db2.gz FXNCFUNREYWMRX-ZLKJLUDKSA-N -1 1 371.455 2.327 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]C1(C(=O)OC)CCC(CC)CC1)C1CC1 ZINC000599252583 673648852 /nfs/dbraw/zinc/64/88/52/673648852.db2.gz TYLRVRFVGHGFTD-GNHJJJEISA-N -1 1 361.504 2.233 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000599278913 673652548 /nfs/dbraw/zinc/65/25/48/673652548.db2.gz MMKRMCDQOORFTA-ZETCQYMHSA-N -1 1 361.288 2.046 20 0 FEADMM CCC(C)(C)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000599282964 673653398 /nfs/dbraw/zinc/65/33/98/673653398.db2.gz WBTABAVVPOJQHZ-OAHLLOKOSA-N -1 1 373.471 2.274 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCOC[C@@H]1CCCO1 ZINC000741321895 673681707 /nfs/dbraw/zinc/68/17/07/673681707.db2.gz SMMXXUAAXXHSBC-AWEZNQCLSA-N -1 1 371.455 2.191 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2F)o1 ZINC000599491884 673684445 /nfs/dbraw/zinc/68/44/45/673684445.db2.gz GAASEVUPPOXKPT-CMPLNLGQSA-N -1 1 357.334 2.179 20 0 FEADMM O=C(NCc1nc(CN2CCCCC2)no1)c1ccc(Cl)cc1[O-] ZINC000614465073 676176412 /nfs/dbraw/zinc/17/64/12/676176412.db2.gz IAGKHVHRUHNBBP-UHFFFAOYSA-N -1 1 350.806 2.345 20 0 FEADMM COc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc(Cl)c1[O-] ZINC000545178772 673749481 /nfs/dbraw/zinc/74/94/81/673749481.db2.gz LETKLUWIQOMWOK-AWEZNQCLSA-N -1 1 356.850 2.141 20 0 FEADMM O=S(=O)([N-][C@@H]1COc2ccccc2C1)c1ccc(Br)o1 ZINC000545386340 673765225 /nfs/dbraw/zinc/76/52/25/673765225.db2.gz JXPORWOLGYUCBJ-JTQLQIEISA-N -1 1 358.213 2.324 20 0 FEADMM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc(I)ccc1[O-] ZINC000600521692 673776228 /nfs/dbraw/zinc/77/62/28/673776228.db2.gz LVRQZBMDERZFHR-GWCFXTLKSA-N -1 1 373.190 2.294 20 0 FEADMM COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(Cl)c1[O-] ZINC000545881724 673779789 /nfs/dbraw/zinc/77/97/89/673779789.db2.gz ZFGAKMBINPWHDS-UHFFFAOYSA-N -1 1 364.785 2.245 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(C(=O)OC)c1F)C1CC1 ZINC000600653323 673786187 /nfs/dbraw/zinc/78/61/87/673786187.db2.gz GNGLZZTYVBLTIK-LBPRGKRZSA-N -1 1 363.382 2.308 20 0 FEADMM CCOc1cc(C(=O)N(C)Cc2nnc3n2CCC3)cc(Cl)c1[O-] ZINC000546584639 673804524 /nfs/dbraw/zinc/80/45/24/673804524.db2.gz OMDHXIIETYTPPK-UHFFFAOYSA-N -1 1 350.806 2.254 20 0 FEADMM Cc1cc(C)nc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000547145079 673834262 /nfs/dbraw/zinc/83/42/62/673834262.db2.gz PJRIRLYRJMTTHU-UHFFFAOYSA-N -1 1 350.425 2.288 20 0 FEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccccc3C[S@](C)=O)cc21 ZINC000547243380 673837268 /nfs/dbraw/zinc/83/72/68/673837268.db2.gz WDZVKDKUJZEMNU-QHCPKHFHSA-N -1 1 364.492 2.358 20 0 FEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601462904 673866642 /nfs/dbraw/zinc/86/66/42/673866642.db2.gz FFOZIXDTWSRIEY-CHWSQXEVSA-N -1 1 355.818 2.157 20 0 FEADMM COCc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000547614612 673874822 /nfs/dbraw/zinc/87/48/22/673874822.db2.gz IXUGLEGMLDGBHV-UHFFFAOYSA-N -1 1 366.351 2.240 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000601521410 673876827 /nfs/dbraw/zinc/87/68/27/673876827.db2.gz YCLQQRAUAHTKJE-ZDUSSCGKSA-N -1 1 357.428 2.084 20 0 FEADMM CC(C)(C)OC(=O)[C@@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCOC1 ZINC000601671706 673893010 /nfs/dbraw/zinc/89/30/10/673893010.db2.gz OOMFIBQDUGQHOW-QGZVFWFLSA-N -1 1 355.818 2.205 20 0 FEADMM COC(=O)[C@@]1(C)CN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C ZINC000601707529 673895847 /nfs/dbraw/zinc/89/58/47/673895847.db2.gz AUSGIZPNQWAHPD-VFZGTOFNSA-N -1 1 356.216 2.426 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1N=NC(=S)N1C(C)C ZINC000747386614 673925807 /nfs/dbraw/zinc/92/58/07/673925807.db2.gz NWEDMNSQZABLTR-UHFFFAOYSA-N -1 1 350.448 2.005 20 0 FEADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1nn[n-]n1 ZINC000548138933 673927392 /nfs/dbraw/zinc/92/73/92/673927392.db2.gz XDDZOMARSOOFNX-MRVPVSSYSA-N -1 1 359.356 2.046 20 0 FEADMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(Br)c1[O-] ZINC000548378660 673954137 /nfs/dbraw/zinc/95/41/37/673954137.db2.gz HBGLNYCUJOUKGK-LLVKDONJSA-N -1 1 371.275 2.072 20 0 FEADMM COc1cc(OC)c(S(=O)(=O)[N-]c2cccc(O)c2F)c(OC)c1 ZINC000548611352 673979740 /nfs/dbraw/zinc/97/97/40/673979740.db2.gz HXISPRMQZWRHMH-UHFFFAOYSA-N -1 1 357.359 2.358 20 0 FEADMM O=C(c1cc(Cl)ccc1[O-])N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000615098247 676203029 /nfs/dbraw/zinc/20/30/29/676203029.db2.gz NNUSUSSKVBTZOA-CQSZACIVSA-N -1 1 370.902 2.326 20 0 FEADMM CCc1nc(SCC(=O)c2cccc(S(C)(=O)=O)c2)[n-]c(=O)c1C ZINC000566808491 675244639 /nfs/dbraw/zinc/24/46/39/675244639.db2.gz RCBSRUBXQLJYQJ-UHFFFAOYSA-N -1 1 366.464 2.432 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc(C(=O)[O-])c1Cl ZINC000819159064 675265107 /nfs/dbraw/zinc/26/51/07/675265107.db2.gz IJIDWFZDSNCSPB-SMDDNHRTSA-N -1 1 372.874 2.061 20 0 FEADMM COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000615482645 676216760 /nfs/dbraw/zinc/21/67/60/676216760.db2.gz BACPFJGOUULNST-GFCCVEGCSA-N -1 1 359.806 2.093 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@@H]2C2CCC2)c(=O)[n-]1 ZINC000567591467 675304699 /nfs/dbraw/zinc/30/46/99/675304699.db2.gz UMKPMMYYOIQMSS-CQSZACIVSA-N -1 1 351.472 2.173 20 0 FEADMM CCN(CC)CCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000567800276 675324518 /nfs/dbraw/zinc/32/45/18/675324518.db2.gz DFLOJPDJUOHDBM-OAHLLOKOSA-N -1 1 374.528 2.186 20 0 FEADMM Cc1cc(Br)oc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822161595 675471492 /nfs/dbraw/zinc/47/14/92/675471492.db2.gz QQDYZMQNQJTQED-UHFFFAOYSA-N -1 1 364.159 2.489 20 0 FEADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000822543221 675491342 /nfs/dbraw/zinc/49/13/42/675491342.db2.gz QPPPJGQYTZKZRO-ZETCQYMHSA-N -1 1 352.259 2.410 20 0 FEADMM Cn1c(Cl)c(Cl)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822596810 675494270 /nfs/dbraw/zinc/49/42/70/675494270.db2.gz UPTHTBBBEKECSU-UHFFFAOYSA-N -1 1 353.169 2.470 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccnn1C1CCC1 ZINC000824346924 675597061 /nfs/dbraw/zinc/59/70/61/675597061.db2.gz YRXIDOKWAFIJJN-ZYHUDNBSSA-N -1 1 358.364 2.280 20 0 FEADMM CSc1nc(CNC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc(=O)[n-]1 ZINC000824603047 675613124 /nfs/dbraw/zinc/61/31/24/675613124.db2.gz NODGPTYZUGWLTH-NXEZZACHSA-N -1 1 365.377 2.410 20 0 FEADMM CC(C)C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)C(=O)OC(C)C ZINC000825841122 675670790 /nfs/dbraw/zinc/67/07/90/675670790.db2.gz ZVYXMQAZNZFSSD-LBPRGKRZSA-N -1 1 350.444 2.114 20 0 FEADMM Cc1onc(CC(=O)N(C)CCc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826343069 675686210 /nfs/dbraw/zinc/68/62/10/675686210.db2.gz LEFIIBGUEKZDAN-UHFFFAOYSA-N -1 1 360.805 2.060 20 0 FEADMM Cc1onc(CC(=O)N(C)CCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826343069 675686212 /nfs/dbraw/zinc/68/62/12/675686212.db2.gz LEFIIBGUEKZDAN-UHFFFAOYSA-N -1 1 360.805 2.060 20 0 FEADMM Cc1onc(CC(=O)NCCCc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826347122 675686905 /nfs/dbraw/zinc/68/69/05/675686905.db2.gz FVJDMDFAFBDYHE-UHFFFAOYSA-N -1 1 360.805 2.108 20 0 FEADMM Cc1onc(CC(=O)NCCCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826347122 675686906 /nfs/dbraw/zinc/68/69/06/675686906.db2.gz FVJDMDFAFBDYHE-UHFFFAOYSA-N -1 1 360.805 2.108 20 0 FEADMM Fc1cc(Br)ccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826372099 675687260 /nfs/dbraw/zinc/68/72/60/675687260.db2.gz HPYMOWWLMBFMSD-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Fc1cc(Br)ccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826372099 675687261 /nfs/dbraw/zinc/68/72/61/675687261.db2.gz HPYMOWWLMBFMSD-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cccc3c2OCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826686374 675700093 /nfs/dbraw/zinc/70/00/93/675700093.db2.gz PUISHGGWLWCLCG-MFKMUULPSA-N -1 1 356.344 2.151 20 0 FEADMM CSCC[C@H](NC(=O)c1cnc(CC(C)(C)C)s1)c1nn[n-]n1 ZINC000826927449 675716107 /nfs/dbraw/zinc/71/61/07/675716107.db2.gz BIXVXQUGDGBTHT-VIFPVBQESA-N -1 1 354.505 2.469 20 0 FEADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000827117937 675730630 /nfs/dbraw/zinc/73/06/30/675730630.db2.gz RMGFMFZJKAZEBY-ABAIWWIYSA-N -1 1 354.435 2.482 20 0 FEADMM C[C@@H]1SCC[C@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000827649537 675770777 /nfs/dbraw/zinc/77/07/77/675770777.db2.gz JFSMEMGYUQTRAN-NGDQXYMTSA-N -1 1 367.437 2.367 20 0 FEADMM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1=O ZINC000827809196 675780493 /nfs/dbraw/zinc/78/04/93/675780493.db2.gz YDWZPUVSTGUPRG-QMMMGPOBSA-N -1 1 366.270 2.066 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000828011602 675791899 /nfs/dbraw/zinc/79/18/99/675791899.db2.gz MWQCUTJUWFFHNQ-AWEZNQCLSA-N -1 1 353.440 2.317 20 0 FEADMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000828174287 675804305 /nfs/dbraw/zinc/80/43/05/675804305.db2.gz OIFGYKLPDLXGOQ-UHFFFAOYSA-N -1 1 374.768 2.047 20 0 FEADMM O=C(Nc1c([O-])cccc1F)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000605434675 675814942 /nfs/dbraw/zinc/81/49/42/675814942.db2.gz BASDFDIVUJXUID-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c1 ZINC000606752092 675840166 /nfs/dbraw/zinc/84/01/66/675840166.db2.gz JIJZOBFKOHLXIT-UHFFFAOYSA-N -1 1 356.407 2.027 20 0 FEADMM CCCCC[C@H](O)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000829468369 675880098 /nfs/dbraw/zinc/88/00/98/675880098.db2.gz BYXXSKOUDOHXBW-STQMWFEESA-N -1 1 355.801 2.139 20 0 FEADMM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000608049260 675884114 /nfs/dbraw/zinc/88/41/14/675884114.db2.gz YHHKOZVTNHNQBQ-CSMHCCOUSA-N -1 1 369.295 2.343 20 0 FEADMM O=C(NCc1nn[n-]n1)C1(c2cccc(Br)c2)CCCCC1 ZINC000608132640 675885708 /nfs/dbraw/zinc/88/57/08/675885708.db2.gz NQAYJYXREIKARH-UHFFFAOYSA-N -1 1 364.247 2.481 20 0 FEADMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000829680921 675887236 /nfs/dbraw/zinc/88/72/36/675887236.db2.gz IPANIXZWYQWMJM-UHFFFAOYSA-N -1 1 362.377 2.301 20 0 FEADMM CC(C)CCc1nnc([N-]C(=O)c2ncccc2S(C)(=O)=O)s1 ZINC000617093242 676269555 /nfs/dbraw/zinc/26/95/55/676269555.db2.gz IHQSDVKWYMGPSB-UHFFFAOYSA-N -1 1 354.457 2.178 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@](C)(C3CC3)C2)c(=O)[n-]1 ZINC000617402457 676283588 /nfs/dbraw/zinc/28/35/88/676283588.db2.gz JEHRJUPXOBBTGC-KRWDZBQOSA-N -1 1 351.472 2.173 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)s1 ZINC000618487341 676342295 /nfs/dbraw/zinc/34/22/95/676342295.db2.gz RRTHCQLEGKVGHA-INIZCTEOSA-N -1 1 355.423 2.438 20 0 FEADMM O=C(Cc1ccc(Br)cc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000618487333 676342304 /nfs/dbraw/zinc/34/23/04/676342304.db2.gz RMGKPCRBBSGAJK-HNNXBMFYSA-N -1 1 372.226 2.411 20 0 FEADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000677300321 679674827 /nfs/dbraw/zinc/67/48/27/679674827.db2.gz YHIJZTHSCTYGOX-UHFFFAOYSA-N -1 1 366.439 2.249 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)co1 ZINC000677311812 679675424 /nfs/dbraw/zinc/67/54/24/679675424.db2.gz BNBWYTKQHXWHQL-KOLCDFICSA-N -1 1 368.377 2.286 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(C3(c4cccc(F)c4)CC3)no2)co1 ZINC000624670287 676590165 /nfs/dbraw/zinc/59/01/65/676590165.db2.gz XVMJCTOYUOOMBT-UHFFFAOYSA-N -1 1 363.370 2.457 20 0 FEADMM CC1(C)C[C@H](S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CO1 ZINC000624990233 676608572 /nfs/dbraw/zinc/60/85/72/676608572.db2.gz JDYQRSKFMVDDRB-INIZCTEOSA-N -1 1 367.467 2.184 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cncc(OC(C)C)c1)c1ccc(C)o1 ZINC000625040293 676612725 /nfs/dbraw/zinc/61/27/25/676612725.db2.gz JJALDAADVAXUSP-HNNXBMFYSA-N -1 1 354.428 2.436 20 0 FEADMM CCC[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)OCC ZINC000625339187 676640945 /nfs/dbraw/zinc/64/09/45/676640945.db2.gz HTPKTMMXCJHWPB-JTQLQIEISA-N -1 1 351.266 2.328 20 0 FEADMM CCC[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)OCC ZINC000628349091 676799284 /nfs/dbraw/zinc/79/92/84/676799284.db2.gz ZOTHEEBAWKSIEF-LBPRGKRZSA-N -1 1 360.476 2.291 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CCF)c1 ZINC000628760921 676817466 /nfs/dbraw/zinc/81/74/66/676817466.db2.gz MSLHSEMJWZLDFR-UHFFFAOYSA-N -1 1 354.407 2.257 20 0 FEADMM CCC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)cc1 ZINC000629316622 676845625 /nfs/dbraw/zinc/84/56/25/676845625.db2.gz QBULAWNQJWNIFV-KRWDZBQOSA-N -1 1 355.456 2.463 20 0 FEADMM CC(C)Oc1ncc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000630222641 676887958 /nfs/dbraw/zinc/88/79/58/676887958.db2.gz GYRVBKMKKDBYSP-GFCCVEGCSA-N -1 1 369.849 2.143 20 0 FEADMM COc1cc(CNC(=O)Cc2ccc([O-])c(Cl)c2)ccc1OCCO ZINC000630778519 676921384 /nfs/dbraw/zinc/92/13/84/676921384.db2.gz JMELICPSJYDNGZ-UHFFFAOYSA-N -1 1 365.813 2.284 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000630905996 676925774 /nfs/dbraw/zinc/92/57/74/676925774.db2.gz YAGGLRKMVCQDLI-GFCCVEGCSA-N -1 1 356.213 2.039 20 0 FEADMM CC(C)Oc1cc(Br)cc(NC(=O)CCc2nn[n-]n2)c1 ZINC000631634558 676949717 /nfs/dbraw/zinc/94/97/17/676949717.db2.gz KRKCLUUAIOCAKS-UHFFFAOYSA-N -1 1 354.208 2.321 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000631707937 676952837 /nfs/dbraw/zinc/95/28/37/676952837.db2.gz LVWMCMBPHVNQLE-DZGCQCFKSA-N -1 1 357.859 2.156 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCC[C@@H]1c1ccccc1Br ZINC000631731113 676954218 /nfs/dbraw/zinc/95/42/18/676954218.db2.gz HTBKABGMOPNIRF-GFCCVEGCSA-N -1 1 350.220 2.259 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccccc1 ZINC000631865415 676960932 /nfs/dbraw/zinc/96/09/32/676960932.db2.gz JTGINYLKULLGEE-UHFFFAOYSA-N -1 1 358.366 2.316 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)N1CCCC[C@@H]1C ZINC000631880930 676961615 /nfs/dbraw/zinc/96/16/15/676961615.db2.gz JPLNNQLJBGKIEC-UWVGGRQHSA-N -1 1 350.387 2.285 20 0 FEADMM O=S(=O)([N-]C[C@H]1OCCc2ccccc21)c1c[nH]nc1C(F)(F)F ZINC000631959604 676966973 /nfs/dbraw/zinc/96/69/73/676966973.db2.gz YJZBBYXSNQFWGR-LLVKDONJSA-N -1 1 361.345 2.021 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1csnc1-c1ccccc1 ZINC000632147164 676978422 /nfs/dbraw/zinc/97/84/22/676978422.db2.gz DWOQUGRZMDBTBE-SNVBAGLBSA-N -1 1 366.386 2.402 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCCC[C@H]2c2ccnn2C)c1 ZINC000632302987 676986902 /nfs/dbraw/zinc/98/69/02/676986902.db2.gz WDDPAMLKMKDUBF-AWEZNQCLSA-N -1 1 351.428 2.050 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)sn1 ZINC000632359585 676990036 /nfs/dbraw/zinc/99/00/36/676990036.db2.gz FOAKGEXPAAGNDI-UHFFFAOYSA-N -1 1 350.372 2.130 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1ccc2c(c1)CCCO2 ZINC000678479974 679730735 /nfs/dbraw/zinc/73/07/35/679730735.db2.gz YYQNKDXQJGNECP-UHFFFAOYSA-N -1 1 356.407 2.393 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000632411589 676992711 /nfs/dbraw/zinc/99/27/11/676992711.db2.gz FNJUGKXFSMSMSX-CABCVRRESA-N -1 1 367.467 2.371 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000632574169 677002913 /nfs/dbraw/zinc/00/29/13/677002913.db2.gz BLNCZJIEUXFUBK-KOLCDFICSA-N -1 1 369.361 2.131 20 0 FEADMM Cn1[n-]c(COC(=O)C(F)(F)c2cccc(Cl)c2Cl)nc1=O ZINC000829859917 677015324 /nfs/dbraw/zinc/01/53/24/677015324.db2.gz DFMDEWDHBFTVRR-UHFFFAOYSA-N -1 1 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681093978 /nfs/dbraw/zinc/09/39/78/681093978.db2.gz HSRCHZMMKKERJE-CYBMUJFWSA-N -1 1 368.836 2.419 20 0 FEADMM CCc1nsc(NCC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001053354509 681096190 /nfs/dbraw/zinc/09/61/90/681096190.db2.gz JOOFKDUKVADEKW-VXGBXAGGSA-N -1 1 361.471 2.411 20 0 FEADMM CCCc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)n1 ZINC001054972697 681120676 /nfs/dbraw/zinc/12/06/76/681120676.db2.gz UZQAQLPALKKXSJ-WOPDTQHZSA-N -1 1 359.455 2.131 20 0 FEADMM COC(=O)N1CCC[C@H]([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000773069222 681124295 /nfs/dbraw/zinc/12/42/95/681124295.db2.gz GGHJMRMCBIVDGU-QWRGUYRKSA-N -1 1 362.398 2.110 20 0 FEADMM Cc1ccc(C)c(C(=O)CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000773150711 681127769 /nfs/dbraw/zinc/12/77/69/681127769.db2.gz JKEOBKMWQSNUIZ-CQSZACIVSA-N -1 1 359.455 2.096 20 0 FEADMM O=C(Cc1cccc(C(F)(F)F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773160720 681128245 /nfs/dbraw/zinc/12/82/45/681128245.db2.gz NYGONLZCECRGFS-LLVKDONJSA-N -1 1 357.361 2.078 20 0 FEADMM O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000773727814 681153649 /nfs/dbraw/zinc/15/36/49/681153649.db2.gz XHPPYVKOHUPBDW-UHFFFAOYSA-N -1 1 354.391 2.364 20 0 FEADMM CC[C@@H](C(=O)Nc1nc(Br)ccc1[O-])N1CCO[C@H](CC)C1 ZINC000774096538 681168642 /nfs/dbraw/zinc/16/86/42/681168642.db2.gz OIMMJQBDAHSCTO-MNOVXSKESA-N -1 1 372.263 2.378 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@](C)(O)c2ccccc2)o1 ZINC000845982655 681169446 /nfs/dbraw/zinc/16/94/46/681169446.db2.gz LKILTZJTRUYCPA-YVEFUNNKSA-N -1 1 367.423 2.031 20 0 FEADMM C[C@H](C(=O)[N-]S(=O)(=O)C1CCC1)N1CCC(Cc2ccccc2)CC1 ZINC000774287034 681177213 /nfs/dbraw/zinc/17/72/13/681177213.db2.gz AUJRLCZNBMILGC-OAHLLOKOSA-N -1 1 364.511 2.328 20 0 FEADMM C[C@@H](CC(=O)OCCC[N-]C(=O)C(F)(F)F)NC(=O)C1CCCCC1 ZINC000774944731 681254638 /nfs/dbraw/zinc/25/46/38/681254638.db2.gz QDKVLTDUCJAIBM-NSHDSACASA-N -1 1 366.380 2.073 20 0 FEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000775273965 681291249 /nfs/dbraw/zinc/29/12/49/681291249.db2.gz YLVFUNZUQBLCER-UHFFFAOYSA-N -1 1 366.418 2.104 20 0 FEADMM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]CC(=O)NCC(F)(F)F ZINC000846820887 681294557 /nfs/dbraw/zinc/29/45/57/681294557.db2.gz BHYCITZGSDLHPA-UHFFFAOYSA-N -1 1 368.302 2.360 20 0 FEADMM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000776247065 681376094 /nfs/dbraw/zinc/37/60/94/681376094.db2.gz WBWAXXWAUPJSBE-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnc(Cl)c(Br)c1 ZINC000847506905 681387944 /nfs/dbraw/zinc/38/79/44/681387944.db2.gz NTYOJPJKQBEGIK-UHFFFAOYSA-N -1 1 371.626 2.210 20 0 FEADMM O=C(C=Cc1nc2ccccc2s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562896 681406165 /nfs/dbraw/zinc/40/61/65/681406165.db2.gz GHBGBTUYIMBQPX-QRGHLMKCSA-N -1 1 358.452 2.139 20 0 FEADMM O=C(COc1ccc(Cl)cc1Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563233 681406731 /nfs/dbraw/zinc/40/67/31/681406731.db2.gz IBFLENAJJVHPJX-SNVBAGLBSA-N -1 1 374.253 2.202 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000776884683 681443572 /nfs/dbraw/zinc/44/35/72/681443572.db2.gz MUMSWGJTEKFPJU-OAHLLOKOSA-N -1 1 357.472 2.100 20 0 FEADMM COc1ccc(NC(=O)/C=C\c2scnc2C)cc1[N-]S(C)(=O)=O ZINC000776961920 681451377 /nfs/dbraw/zinc/45/13/77/681451377.db2.gz OIMVPDAWMDLHEF-SREVYHEPSA-N -1 1 367.452 2.484 20 0 FEADMM COc1cnc([C@@H]2CCCN2Cc2cn(C)nc2Br)[n-]c1=O ZINC000934270042 681540934 /nfs/dbraw/zinc/54/09/34/681540934.db2.gz MSIQUOKOLCXUHF-JTQLQIEISA-N -1 1 368.235 2.024 20 0 FEADMM COc1cnc([C@@H]2CCCN2Cc2c(Cl)ncnc2N(C)C)[n-]c1=O ZINC000934274949 681541914 /nfs/dbraw/zinc/54/19/14/681541914.db2.gz XNCBKOCATRHFDO-NSHDSACASA-N -1 1 364.837 2.037 20 0 FEADMM CC(C)C[C@@H]1CC(=O)N(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000848501395 681562649 /nfs/dbraw/zinc/56/26/49/681562649.db2.gz CNESTYPMXNQUEM-MGPQQGTHSA-N -1 1 363.424 2.370 20 0 FEADMM O=S(=O)([N-][C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cnn(CC2CC2)c1 ZINC000848510036 681567197 /nfs/dbraw/zinc/56/71/97/681567197.db2.gz NZOQPOYNYCCWMR-YPMHNXCESA-N -1 1 367.393 2.071 20 0 FEADMM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000848695163 681604552 /nfs/dbraw/zinc/60/45/52/681604552.db2.gz WJNXGIUZLZPCLD-UHFFFAOYSA-N -1 1 368.390 2.107 20 0 FEADMM CSCC[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1nn[n-]n1 ZINC000912860727 685459070 /nfs/dbraw/zinc/45/90/70/685459070.db2.gz WAOACWUABKXDCR-HNNXBMFYSA-N -1 1 356.455 2.144 20 0 FEADMM CSCC[C@H](NC(=O)COc1cccc(Cl)c1C)c1nn[n-]n1 ZINC000912861040 685459501 /nfs/dbraw/zinc/45/95/01/685459501.db2.gz BGPBYCCCSPHFBJ-NSHDSACASA-N -1 1 355.851 2.151 20 0 FEADMM CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912861542 685460537 /nfs/dbraw/zinc/46/05/37/685460537.db2.gz PMMYGHHOGRXEEL-NWDGAFQWSA-N -1 1 353.423 2.107 20 0 FEADMM COc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000778724469 681643664 /nfs/dbraw/zinc/64/36/64/681643664.db2.gz RDKYNIGWKXYMSE-QGZVFWFLSA-N -1 1 368.499 2.152 20 0 FEADMM CSCC[C@H](NC(=O)Cc1scnc1-c1ccccc1)c1nn[n-]n1 ZINC000912863201 685461590 /nfs/dbraw/zinc/46/15/90/685461590.db2.gz ONLVLOKINCOCNJ-LBPRGKRZSA-N -1 1 374.495 2.476 20 0 FEADMM CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000849422491 681728249 /nfs/dbraw/zinc/72/82/49/681728249.db2.gz AKJCTADEYGXADY-CFVMTHIKSA-N -1 1 353.440 2.277 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)C)c1ccccc1Br ZINC000849450921 681740838 /nfs/dbraw/zinc/74/08/38/681740838.db2.gz CYVSWOLTRBNSOA-LBPRGKRZSA-N -1 1 364.261 2.239 20 0 FEADMM O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498596 685478810 /nfs/dbraw/zinc/47/88/10/685478810.db2.gz IPGMRTPJVFVEQT-SNVBAGLBSA-N -1 1 361.711 2.086 20 0 FEADMM CCCCOc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(Cl)c1 ZINC000913498691 685478850 /nfs/dbraw/zinc/47/88/50/685478850.db2.gz QQMQFFMVAFXIGE-CQSZACIVSA-N -1 1 365.821 2.246 20 0 FEADMM O=C(c1c([O-])cnc2c(F)cccc21)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000913669949 685481797 /nfs/dbraw/zinc/48/17/97/685481797.db2.gz IDRHHPGVTKUELX-WCBMZHEXSA-N -1 1 358.291 2.322 20 0 FEADMM O=C([O-])[C@H](CC(F)F)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000780343187 681816100 /nfs/dbraw/zinc/81/61/00/681816100.db2.gz FYRNNYPQQVXJSG-NWDGAFQWSA-N -1 1 359.373 2.214 20 0 FEADMM O=C(c1ccc(F)c(Br)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743914 685483959 /nfs/dbraw/zinc/48/39/59/685483959.db2.gz QXWUWYCHYZDIHH-UHFFFAOYSA-N -1 1 354.183 2.121 20 0 FEADMM O=C(c1cccc(F)c1OC(F)(F)F)N1CCC(c2nn[n-]n2)CC1 ZINC000913746018 685484202 /nfs/dbraw/zinc/48/42/02/685484202.db2.gz TZDUVUGHJVVZCI-UHFFFAOYSA-N -1 1 359.283 2.257 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)c(Br)o1 ZINC000780913816 681885933 /nfs/dbraw/zinc/88/59/33/681885933.db2.gz PJYFDTCUSGJJLB-SFYZADRCSA-N -1 1 366.233 2.296 20 0 FEADMM COCC[C@H](C)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914032224 685492436 /nfs/dbraw/zinc/49/24/36/685492436.db2.gz UGGADRMXSKOHED-MLMJSJRWSA-N -1 1 374.406 2.293 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1cccc(F)c1)c1cccs1 ZINC000914091271 685494177 /nfs/dbraw/zinc/49/41/77/685494177.db2.gz YJJPRYGEQNNZOR-CQSZACIVSA-N -1 1 357.428 2.263 20 0 FEADMM COC(=O)C[C@](C)([N-]C(=O)C(F)(F)C(F)F)c1cccc(OC)c1 ZINC000781434983 681934462 /nfs/dbraw/zinc/93/44/62/681934462.db2.gz GNINOTPKMIXBRE-AWEZNQCLSA-N -1 1 351.296 2.490 20 0 FEADMM O=C(NCCNC(=O)c1cccs1)NCCc1c(F)cc([O-])cc1F ZINC000914141592 685496015 /nfs/dbraw/zinc/49/60/15/685496015.db2.gz LCFJRUBSPNQLNV-UHFFFAOYSA-N -1 1 369.393 2.004 20 0 FEADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000959650883 681983631 /nfs/dbraw/zinc/98/36/31/681983631.db2.gz ONBDOYJGDUHUHI-JHJVBQTASA-N -1 1 359.451 2.229 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)[C@@H]1CCCOC1 ZINC000914347581 685504974 /nfs/dbraw/zinc/50/49/74/685504974.db2.gz CMTQEMNCYMKARV-HIFRSBDPSA-N -1 1 361.504 2.090 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1)N1CCCCC1 ZINC000851198693 682033462 /nfs/dbraw/zinc/03/34/62/682033462.db2.gz COHUEGSRZAKDCI-KRWDZBQOSA-N -1 1 370.490 2.325 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)cc1 ZINC000782533859 682054911 /nfs/dbraw/zinc/05/49/11/682054911.db2.gz OVTZTSQDMDJCAX-UHFFFAOYSA-N -1 1 361.423 2.327 20 0 FEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCCCCO)c1F ZINC000915083524 685511986 /nfs/dbraw/zinc/51/19/86/685511986.db2.gz SZMWBOLCIMSJPH-UHFFFAOYSA-N -1 1 370.240 2.038 20 0 FEADMM CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000915128666 685512430 /nfs/dbraw/zinc/51/24/30/685512430.db2.gz RXAANNHWVCKSGP-VXGBXAGGSA-N -1 1 359.444 2.471 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)N(C)C(C)C ZINC000783080165 682110042 /nfs/dbraw/zinc/11/00/42/682110042.db2.gz NNNSVKZPHMNTAH-ZDUSSCGKSA-N -1 1 370.471 2.250 20 0 FEADMM CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000915681825 685517448 /nfs/dbraw/zinc/51/74/48/685517448.db2.gz FYGWRIOCTHDIAU-QMMMGPOBSA-N -1 1 355.334 2.101 20 0 FEADMM 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690698282 /nfs/dbraw/zinc/69/82/82/690698282.db2.gz AVBLPAYDJZQQNX-CQSZACIVSA-N -1 1 368.231 2.415 20 0 FEADMM COc1ccc([C@@H](NCc2cncn2C)C(=O)[O-])cc1Br ZINC000901828785 690698810 /nfs/dbraw/zinc/69/88/10/690698810.db2.gz NAAOPYDNJLIZOG-CYBMUJFWSA-N -1 1 354.204 2.107 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(F)cc1F ZINC000901877130 690706284 /nfs/dbraw/zinc/70/62/84/690706284.db2.gz XNXSLRMDARPUGT-UHFFFAOYSA-N -1 1 370.381 2.335 20 0 FEADMM Cn1ccnc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000901896664 690710181 /nfs/dbraw/zinc/71/01/81/690710181.db2.gz FYSRYMWYQWNSNA-KGLIPLIRSA-N -1 1 364.243 2.483 20 0 FEADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c(F)c1 ZINC000901935530 690717062 /nfs/dbraw/zinc/71/70/62/690717062.db2.gz JDWUBPKJYMFXPN-UHFFFAOYSA-N -1 1 366.418 2.250 20 0 FEADMM O=C([O-])C[C@H]1CCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000902007217 690730097 /nfs/dbraw/zinc/73/00/97/690730097.db2.gz KNYYVWCQLDUMPP-GFCCVEGCSA-N -1 1 365.231 2.469 20 0 FEADMM O=C([O-])c1ccc(CN[C@@H]2CCN(C3CCC3)C2=O)cc1Br ZINC000902492678 690770594 /nfs/dbraw/zinc/77/05/94/690770594.db2.gz DGDQOWXERRUUEX-CQSZACIVSA-N -1 1 367.243 2.390 20 0 FEADMM CCc1cc([N-]S(=O)(=O)N=S(=O)(CC)CC)c2ccccc2n1 ZINC000903109590 690845095 /nfs/dbraw/zinc/84/50/95/690845095.db2.gz SBQBFYUFXSEDKH-UHFFFAOYSA-N -1 1 355.485 2.384 20 0 FEADMM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1Cl ZINC000903165361 690859188 /nfs/dbraw/zinc/85/91/88/690859188.db2.gz ICLOTLVZEFCZAX-UHFFFAOYSA-N -1 1 370.818 2.139 20 0 FEADMM COC(=O)C1CC2(C1)CN(Cc1cc(F)c(F)c(F)c1)C[C@@H]2C(=O)[O-] ZINC000903694048 690963877 /nfs/dbraw/zinc/96/38/77/690963877.db2.gz NPFLJHXDXIUSOB-VVHFOWEKSA-N -1 1 357.328 2.190 20 0 FEADMM Cc1c([C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C(=O)[O-])cnn1C ZINC000904048702 690997608 /nfs/dbraw/zinc/99/76/08/690997608.db2.gz SWVQLZDHVJWPIN-CQSZACIVSA-N -1 1 351.790 2.069 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000905202318 691079397 /nfs/dbraw/zinc/07/93/97/691079397.db2.gz IARZTURDLWHFLO-UHFFFAOYSA-N -1 1 372.462 2.233 20 0 FEADMM Cn1nncc1CN[C@@H](C(=O)[O-])c1ccc(Br)c(Cl)c1 ZINC000905755896 691172337 /nfs/dbraw/zinc/17/23/37/691172337.db2.gz MRTIHDYGFQHJPR-LLVKDONJSA-N -1 1 359.611 2.147 20 0 FEADMM Cc1cc(Br)ncc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000906057690 691223452 /nfs/dbraw/zinc/22/34/52/691223452.db2.gz LMKCYIABRCDCIM-UHFFFAOYSA-N -1 1 368.278 2.071 20 0 FEADMM COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3sccc3C)C2=O)cc1 ZINC000906503232 691277904 /nfs/dbraw/zinc/27/79/04/691277904.db2.gz RHNVNWYKYYMBSG-QGZVFWFLSA-N -1 1 359.407 2.177 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000907026674 691373666 /nfs/dbraw/zinc/37/36/66/691373666.db2.gz NQEIBJLCKUJEAQ-LSDHHAIUSA-N -1 1 370.446 2.128 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)c2cn(C)nc2C2CCCC2)s1 ZINC000907141165 691405550 /nfs/dbraw/zinc/40/55/50/691405550.db2.gz GGBRGXHBUCPHCW-UHFFFAOYSA-N -1 1 373.529 2.130 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000907442751 691483290 /nfs/dbraw/zinc/48/32/90/691483290.db2.gz BZOPUJGAOKTVOV-SNVBAGLBSA-N -1 1 351.380 2.041 20 0 FEADMM COc1ccc2cc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)sc2c1 ZINC000907470537 691491448 /nfs/dbraw/zinc/49/14/48/691491448.db2.gz CIXDDHPAHVVJCA-NSHDSACASA-N -1 1 361.452 2.353 20 0 FEADMM CC(C)(C)c1ccc(OCC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907473648 691493402 /nfs/dbraw/zinc/49/34/02/691493402.db2.gz CYCMDLAFDIXRCO-AWEZNQCLSA-N -1 1 361.471 2.193 20 0 FEADMM Cc1ccc(CCC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1Cl ZINC000907474352 691493813 /nfs/dbraw/zinc/49/38/13/691493813.db2.gz HCUKYMWTXHAUHV-ZDUSSCGKSA-N -1 1 351.863 2.411 20 0 FEADMM COc1cccc(C(F)(F)C(=O)[N-]Cc2nc(C(F)(F)F)n[nH]2)c1 ZINC000907496207 691501998 /nfs/dbraw/zinc/50/19/98/691501998.db2.gz MBIJUUPAJDDAKX-UHFFFAOYSA-N -1 1 350.247 2.240 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NCC2(C)CCC3(CC2)OCCO3)c1 ZINC000907646221 691531521 /nfs/dbraw/zinc/53/15/21/691531521.db2.gz PEWNQFVXVJJNOP-UHFFFAOYSA-N -1 1 371.455 2.003 20 0 FEADMM O=C([N-][C@H](CO)CC(F)F)C(F)(F)c1ncccc1Br ZINC000907743089 691551367 /nfs/dbraw/zinc/55/13/67/691551367.db2.gz OSRJSILHJZKKRJ-LURJTMIESA-N -1 1 359.117 2.068 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)/C(F)=C(\C)C3CC3)CC2)n1 ZINC000907780851 691559384 /nfs/dbraw/zinc/55/93/84/691559384.db2.gz NKCYMYMLKKCIOQ-RAXLEYEMSA-N -1 1 350.394 2.341 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)c1cncs1 ZINC000907931580 691585645 /nfs/dbraw/zinc/58/56/45/691585645.db2.gz BSHGKDMTGVSPBC-XFNZEKPQSA-N -1 1 374.513 2.042 20 0 FEADMM O=C(c1cc2c(cccc2Cl)s1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907943978 691587541 /nfs/dbraw/zinc/58/75/41/691587541.db2.gz OFQSVLVCKYEVQQ-UHFFFAOYSA-N -1 1 363.830 2.192 20 0 FEADMM C=Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000908017274 691599047 /nfs/dbraw/zinc/59/90/47/691599047.db2.gz TYVFTPYWCSVFRQ-AWEZNQCLSA-N -1 1 361.423 2.360 20 0 FEADMM O=S(=O)([N-]Cc1cnc2n1CCOC2)c1cc(Cl)sc1Cl ZINC000908366820 691668488 /nfs/dbraw/zinc/66/84/88/691668488.db2.gz STKIXUHGYRKQOH-UHFFFAOYSA-N -1 1 368.267 2.260 20 0 FEADMM Cn1nnc2c1C[C@H](C(=O)Nc1cccc([O-])c1Br)CC2 ZINC000908708560 691716323 /nfs/dbraw/zinc/71/63/23/691716323.db2.gz YQZFEUKEPACCGQ-MRVPVSSYSA-N -1 1 351.204 2.027 20 0 FEADMM Cc1nnc2n1C[C@H](C(=O)Nc1cccc([O-])c1Br)CC2 ZINC000908710089 691716355 /nfs/dbraw/zinc/71/63/55/691716355.db2.gz WSDDUKJPJPKELL-SECBINFHSA-N -1 1 351.204 2.256 20 0 FEADMM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2cccc([O-])c2Br)C[C@H]1C ZINC000908718237 691718015 /nfs/dbraw/zinc/71/80/15/691718015.db2.gz SYGGUWRQVZPSSG-NYRNMGCKSA-N -1 1 358.188 2.060 20 0 FEADMM C[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1ccccc1Cl ZINC000908832757 691737354 /nfs/dbraw/zinc/73/73/54/691737354.db2.gz PFYDYOWBFHGYJL-CHWSQXEVSA-N -1 1 354.834 2.020 20 0 FEADMM CSc1ccc(N2C[C@H](C(=O)[N-]OCc3ccccn3)CC2=O)cc1 ZINC000909526331 691831488 /nfs/dbraw/zinc/83/14/88/691831488.db2.gz OKXQPFWIECJKAL-CYBMUJFWSA-N -1 1 357.435 2.404 20 0 FEADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc([O-])c(F)cc1F ZINC000909974097 691877622 /nfs/dbraw/zinc/87/76/22/691877622.db2.gz GBTGKVBLDCDDSX-AOOOYVTPSA-N -1 1 352.337 2.174 20 0 FEADMM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)C12CCC2 ZINC000910034207 691882718 /nfs/dbraw/zinc/88/27/18/691882718.db2.gz UKPYOGVQULWEGH-RBSFLKMASA-N -1 1 352.475 2.026 20 0 FEADMM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000910119390 691890084 /nfs/dbraw/zinc/89/00/84/691890084.db2.gz ZQLLSEXAOOBUCS-IBGZPJMESA-N -1 1 352.475 2.267 20 0 FEADMM CP(C)(=O)c1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000910208523 691900596 /nfs/dbraw/zinc/90/05/96/691900596.db2.gz MAPYPKSSPSNANU-UHFFFAOYSA-N -1 1 351.261 2.160 20 0 FEADMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1noc2c1COCC2 ZINC000527606012 694682206 /nfs/dbraw/zinc/68/22/06/694682206.db2.gz RFIJHODOPYWLSP-UHFFFAOYSA-N -1 1 359.773 2.293 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000780357723 939109357 /nfs/dbraw/zinc/10/93/57/939109357.db2.gz ACZCPVMEXAJRKG-QZTJIDSGSA-N -1 1 371.437 2.423 20 0 FEADMM CN(CCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)Cc1ccc(F)cc1 ZINC000780631531 939141645 /nfs/dbraw/zinc/14/16/45/939141645.db2.gz BSEZLBBWUXLKNZ-QGZVFWFLSA-N -1 1 359.401 2.383 20 0 FEADMM COc1ccc([C@@H](NC(=O)N[C@@H]2CCCc3cn[nH]c32)C(=O)[O-])cc1F ZINC000797725786 939188914 /nfs/dbraw/zinc/18/89/14/939188914.db2.gz VMRDCHZVSABJCH-IUODEOHRSA-N -1 1 362.361 2.060 20 0 FEADMM CC[C@@](NC(=O)C1CCC(N2CCOCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC000908939688 939358696 /nfs/dbraw/zinc/35/86/96/939358696.db2.gz LQIDNNFRWSKCEF-IAYYMHMVSA-N -1 1 374.481 2.384 20 0 FEADMM O=C([O-])[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1cccs1 ZINC001119639173 939815211 /nfs/dbraw/zinc/81/52/11/939815211.db2.gz ZUFFTPMPCVETFG-MRXNPFEDSA-N -1 1 374.466 2.233 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c(C(F)(F)F)n1 ZINC000549371961 674037402 /nfs/dbraw/zinc/03/74/02/674037402.db2.gz CIDSDRQSUYHUDM-UHFFFAOYSA-N -1 1 359.373 2.132 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccccc1C(F)(F)F ZINC000007051823 539446054 /nfs/dbraw/zinc/44/60/54/539446054.db2.gz PKHRIZBNFCJIST-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC000009854133 539508493 /nfs/dbraw/zinc/50/84/93/539508493.db2.gz JXVTZXWYJJWQIM-AWEZNQCLSA-N -1 1 360.435 2.348 20 0 FEADMM COCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000017321717 539641293 /nfs/dbraw/zinc/64/12/93/539641293.db2.gz HOKADTUHCIVFEQ-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM O=C(c1ccoc1)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000022961209 539703378 /nfs/dbraw/zinc/70/33/78/539703378.db2.gz TYZPLPHJBOVLHG-UHFFFAOYSA-N -1 1 370.377 2.141 20 0 FEADMM NS(=O)(=O)c1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000024700241 539738499 /nfs/dbraw/zinc/73/84/99/539738499.db2.gz BSJLIBGOZDBLPJ-UHFFFAOYSA-N -1 1 356.403 2.123 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nc[nH]n3)c2)c1 ZINC000026261585 539781960 /nfs/dbraw/zinc/78/19/60/539781960.db2.gz MGYAQGSJOGFLPK-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000029835112 539865247 /nfs/dbraw/zinc/86/52/47/539865247.db2.gz PIBOTMQPYBIVSN-UHFFFAOYSA-N -1 1 362.363 2.017 20 0 FEADMM COc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c([O-])c1 ZINC000030981379 539895744 /nfs/dbraw/zinc/89/57/44/539895744.db2.gz OHCCMAWWBSHALJ-UHFFFAOYSA-N -1 1 358.379 2.204 20 0 FEADMM CC(C)c1nc2c([nH]1)C[C@H](C(=O)N=c1cc(-c3nccn3C)[n-][nH]1)CC2 ZINC000530426692 539969737 /nfs/dbraw/zinc/96/97/37/539969737.db2.gz JKAACFLFBWYUNX-LLVKDONJSA-N -1 1 353.430 2.400 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c1 ZINC000036833104 539994850 /nfs/dbraw/zinc/99/48/50/539994850.db2.gz XYPGDVDIGDAIEZ-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM COc1ccccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000041153314 540013381 /nfs/dbraw/zinc/01/33/81/540013381.db2.gz XZKRRICAUIOTRS-UHFFFAOYSA-N -1 1 351.409 2.285 20 0 FEADMM COc1cc(F)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000042005279 540045546 /nfs/dbraw/zinc/04/55/46/540045546.db2.gz QNFUHBDHHPYMLQ-UHFFFAOYSA-N -1 1 355.343 2.099 20 0 FEADMM O=C(NCc1cccnc1-n1cncn1)c1cc(Br)ccc1[O-] ZINC000047121873 540291173 /nfs/dbraw/zinc/29/11/73/540291173.db2.gz AGFBVZAZLDIZEJ-UHFFFAOYSA-N -1 1 374.198 2.060 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1ccc(F)cc1 ZINC000047327681 540303626 /nfs/dbraw/zinc/30/36/26/540303626.db2.gz FKJDWBHYWUMCQR-UHFFFAOYSA-N -1 1 352.369 2.138 20 0 FEADMM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1sccc1Br ZINC000049060939 540380380 /nfs/dbraw/zinc/38/03/80/540380380.db2.gz IUIQFTBAWWSCBK-NWDGAFQWSA-N -1 1 374.281 2.447 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCCO)cc1 ZINC000050533573 540407402 /nfs/dbraw/zinc/40/74/02/540407402.db2.gz JXAAFNBJECWPEQ-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2c[nH]nc2C)cc1 ZINC000051383055 540432353 /nfs/dbraw/zinc/43/23/53/540432353.db2.gz NFGQFDFNHYGPMZ-UHFFFAOYSA-N -1 1 372.454 2.354 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1C(N)=O ZINC000052798242 540490009 /nfs/dbraw/zinc/49/00/09/540490009.db2.gz DQWOCDSOYYHRKT-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N=c2cc(C3CCCCC3)[nH][nH]2)co1 ZINC000535898420 540526125 /nfs/dbraw/zinc/52/61/25/540526125.db2.gz PKJHJIVANHTMKN-UHFFFAOYSA-N -1 1 352.416 2.211 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000054294685 540581982 /nfs/dbraw/zinc/58/19/82/540581982.db2.gz JKJSJEFDRYYOHD-UHFFFAOYSA-N -1 1 363.391 2.326 20 0 FEADMM CC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000055315642 540645722 /nfs/dbraw/zinc/64/57/22/540645722.db2.gz QXBQRPREWNJFHN-KRWDZBQOSA-N -1 1 358.438 2.072 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)cc1F ZINC000055584149 540661772 /nfs/dbraw/zinc/66/17/72/540661772.db2.gz NILWAGQWTZAWGJ-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccccn2)c(=O)[n-]1 ZINC000056276413 540715357 /nfs/dbraw/zinc/71/53/57/540715357.db2.gz LGNWBEVXTQHVHX-OAHLLOKOSA-N -1 1 358.467 2.492 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCCc2ccccc21 ZINC000057101380 540768331 /nfs/dbraw/zinc/76/83/31/540768331.db2.gz QZRYMDCAOBPYGT-UHFFFAOYSA-N -1 1 366.389 2.223 20 0 FEADMM CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000060212842 540869907 /nfs/dbraw/zinc/86/99/07/540869907.db2.gz RIKUEPQEBOMQNE-UHFFFAOYSA-N -1 1 361.391 2.310 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)cc1OC ZINC000063878132 541190553 /nfs/dbraw/zinc/19/05/53/541190553.db2.gz NYQUXUGCFOFVOH-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM Cc1cc(S(N)(=O)=O)sc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000063876762 541190734 /nfs/dbraw/zinc/19/07/34/541190734.db2.gz OOLKATPRTWSMAR-UHFFFAOYSA-N -1 1 360.486 2.006 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([O-])cc2)c(OC)c1 ZINC000063927495 541191612 /nfs/dbraw/zinc/19/16/12/541191612.db2.gz XOHDHMBCNHSVAF-LLVKDONJSA-N -1 1 365.407 2.210 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000063927475 541191665 /nfs/dbraw/zinc/19/16/65/541191665.db2.gz ACWYVSGUCVFFPW-UHFFFAOYSA-N -1 1 355.799 2.467 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000064467682 541206723 /nfs/dbraw/zinc/20/67/23/541206723.db2.gz DPEBEASMTYQOCO-UHFFFAOYSA-N -1 1 372.493 2.117 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000065842143 541265568 /nfs/dbraw/zinc/26/55/68/541265568.db2.gz RWGGCBVADVQPBV-UHFFFAOYSA-N -1 1 362.411 2.191 20 0 FEADMM CC(C)n1c(CNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)n[n-]c1=S ZINC000066640156 541352640 /nfs/dbraw/zinc/35/26/40/541352640.db2.gz SPULKZWITHBVLU-SECBINFHSA-N -1 1 361.427 2.171 20 0 FEADMM CC(C)n1c(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)n[n-]c1=S ZINC000066650103 541355476 /nfs/dbraw/zinc/35/54/76/541355476.db2.gz LVHRHHJDEUYSQY-NSHDSACASA-N -1 1 353.492 2.223 20 0 FEADMM Cc1oc(-c2ccsc2)nc1CC(=O)NCCc1n[n-]c(=S)n1C ZINC000067051165 541410659 /nfs/dbraw/zinc/41/06/59/541410659.db2.gz BQCARTYAZOTHQF-UHFFFAOYSA-N -1 1 363.468 2.404 20 0 FEADMM Cn1c(CCNC(=O)Cc2cccc(Br)c2)n[n-]c1=S ZINC000067051695 541410824 /nfs/dbraw/zinc/41/08/24/541410824.db2.gz JHPUCCHEHXNQKO-UHFFFAOYSA-N -1 1 355.261 2.142 20 0 FEADMM Cc1ccc(N2CC[C@@H](C(=O)NCc3n[n-]c(=S)n3C(C)C)C2=O)cc1 ZINC000067072303 541413927 /nfs/dbraw/zinc/41/39/27/541413927.db2.gz ZZSRBYFGZUORRI-AWEZNQCLSA-N -1 1 373.482 2.499 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CN3CCOCC3)c2)c1 ZINC000067156761 541426750 /nfs/dbraw/zinc/42/67/50/541426750.db2.gz AXIYAQFJAUCKID-UHFFFAOYSA-N -1 1 369.421 2.435 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1Cl ZINC000067660120 541496579 /nfs/dbraw/zinc/49/65/79/541496579.db2.gz CBMGHEWBCIZATM-UHFFFAOYSA-N -1 1 365.802 2.125 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4cc[nH]n4)cc3)cc2o1 ZINC000067874475 541523393 /nfs/dbraw/zinc/52/33/93/541523393.db2.gz NNFVVKZDPYYYOZ-UHFFFAOYSA-N -1 1 356.363 2.312 20 0 FEADMM COC(=O)NCCCC(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424885 541589943 /nfs/dbraw/zinc/58/99/43/541589943.db2.gz UZPKDEFDKYGYEO-UHFFFAOYSA-N -1 1 367.475 2.118 20 0 FEADMM Cc1cc(C)c(CNC(=O)c2cc(Br)ccc2[O-])c(=O)[nH]1 ZINC000068529011 541603872 /nfs/dbraw/zinc/60/38/72/541603872.db2.gz HSQJBWFUGUJWJC-UHFFFAOYSA-N -1 1 351.200 2.390 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000068427866 541590708 /nfs/dbraw/zinc/59/07/08/541590708.db2.gz KPVBJSMKRHQDLU-UHFFFAOYSA-N -1 1 358.427 2.481 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cn3c(cccc3C)n2)c(=O)[n-]1 ZINC000068571016 541610869 /nfs/dbraw/zinc/61/08/69/541610869.db2.gz VKIKIQBQUULEDI-UHFFFAOYSA-N -1 1 371.466 2.005 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300301 541675915 /nfs/dbraw/zinc/67/59/15/541675915.db2.gz VSCACWWFZGQIDD-NWDGAFQWSA-N -1 1 356.492 2.004 20 0 FEADMM CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300307 541676273 /nfs/dbraw/zinc/67/62/73/541676273.db2.gz VSCACWWFZGQIDD-RYUDHWBXSA-N -1 1 356.492 2.004 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000071091661 541763297 /nfs/dbraw/zinc/76/32/97/541763297.db2.gz KBJRJCVJISRSRL-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM CN(C(=O)COC(=O)c1ccc(Br)c([O-])c1)c1nccs1 ZINC000801293201 674118245 /nfs/dbraw/zinc/11/82/45/674118245.db2.gz TWEZRHPCLHNWHS-UHFFFAOYSA-N -1 1 371.212 2.431 20 0 FEADMM COC(=O)[C@H](OC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000801358459 674124014 /nfs/dbraw/zinc/12/40/14/674124014.db2.gz KFKFBFMTJPULHO-CQSZACIVSA-N -1 1 350.758 2.340 20 0 FEADMM COc1ccc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])nn1 ZINC000801358202 674124050 /nfs/dbraw/zinc/12/40/50/674124050.db2.gz IBEJRZIPYHIWQU-UHFFFAOYSA-N -1 1 360.757 2.387 20 0 FEADMM CC[C@@H](C)NC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801375468 674124806 /nfs/dbraw/zinc/12/48/06/674124806.db2.gz NRIDFIMJLAALPJ-SNVBAGLBSA-N -1 1 351.790 2.303 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000064467601 205299170 /nfs/dbraw/zinc/29/91/70/205299170.db2.gz IVIHOHLAEBJWJO-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(F)cc2)no1 ZINC000551138198 674126246 /nfs/dbraw/zinc/12/62/46/674126246.db2.gz NRXPJRNGCSLYDD-UHFFFAOYSA-N -1 1 369.418 2.169 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000078469837 205622102 /nfs/dbraw/zinc/62/21/02/205622102.db2.gz LGHBEGJKIDDMSS-UHFFFAOYSA-N -1 1 354.815 2.380 20 0 FEADMM Cn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000078622208 205628771 /nfs/dbraw/zinc/62/87/71/205628771.db2.gz PTAGLVJWBQBXON-NSHDSACASA-N -1 1 356.455 2.303 20 0 FEADMM CCc1ccc(CCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000074162253 542045822 /nfs/dbraw/zinc/04/58/22/542045822.db2.gz WJKJRQRFISMUJP-UHFFFAOYSA-N -1 1 352.438 2.451 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000074606639 542102365 /nfs/dbraw/zinc/10/23/65/542102365.db2.gz IKGUWLHJYWTAOD-QGZVFWFLSA-N -1 1 364.449 2.198 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c1Cl ZINC000075082023 542150746 /nfs/dbraw/zinc/15/07/46/542150746.db2.gz RVJZEGXPDNFRMF-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM CCc1nsc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000075346882 542171628 /nfs/dbraw/zinc/17/16/28/542171628.db2.gz HMBAXJUHWULOLU-UHFFFAOYSA-N -1 1 352.847 2.422 20 0 FEADMM Cc1csc2nc(-c3ccc(S(=O)(=O)NC4CC4)cc3)[n-]c(=O)c12 ZINC000077251606 542359744 /nfs/dbraw/zinc/35/97/44/542359744.db2.gz YTGFQLXTRWQBDI-UHFFFAOYSA-N -1 1 361.448 2.401 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@@H](C)S1 ZINC000080956399 542618667 /nfs/dbraw/zinc/61/86/67/542618667.db2.gz BMSYYFHCIVTEFJ-GHMZBOCLSA-N -1 1 360.501 2.322 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000084650559 542718259 /nfs/dbraw/zinc/71/82/59/542718259.db2.gz LVQNLFFKEUUEFZ-UHFFFAOYSA-N -1 1 354.407 2.120 20 0 FEADMM CCCC(=O)N[C@H]1CCCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C1 ZINC000101679697 543041264 /nfs/dbraw/zinc/04/12/64/543041264.db2.gz UDLIVSRIZKBRLA-ZDUSSCGKSA-N -1 1 356.426 2.165 20 0 FEADMM CCCC(=O)N[C@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000101679697 543041269 /nfs/dbraw/zinc/04/12/69/543041269.db2.gz UDLIVSRIZKBRLA-ZDUSSCGKSA-N -1 1 356.426 2.165 20 0 FEADMM Cc1ccc(OCCCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000104879758 543148865 /nfs/dbraw/zinc/14/88/65/543148865.db2.gz SEMMGUXPDCAKBG-UHFFFAOYSA-N -1 1 368.437 2.076 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2C(C)C)o1 ZINC000111121365 543382489 /nfs/dbraw/zinc/38/24/89/543382489.db2.gz DJWBOQBWLBQALY-UHFFFAOYSA-N -1 1 366.439 2.120 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCc2c1cccc2O ZINC000111605387 543408541 /nfs/dbraw/zinc/40/85/41/543408541.db2.gz AOFFHFFNICBJHM-INIZCTEOSA-N -1 1 366.421 2.494 20 0 FEADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc2ccccc2cc1[O-] ZINC000112031525 543427247 /nfs/dbraw/zinc/42/72/47/543427247.db2.gz OWGWGTGFGQSRJS-ZDUSSCGKSA-N -1 1 352.312 2.438 20 0 FEADMM COc1ccc(SCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000114411675 543513843 /nfs/dbraw/zinc/51/38/43/543513843.db2.gz MOICYVGQXDIITC-UHFFFAOYSA-N -1 1 372.450 2.057 20 0 FEADMM COc1ccccc1[C@H](C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114411452 543514002 /nfs/dbraw/zinc/51/40/02/543514002.db2.gz CEETUTDBXPOFJS-GFCCVEGCSA-N -1 1 368.437 2.458 20 0 FEADMM COc1ccc(CCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000114412852 543514022 /nfs/dbraw/zinc/51/40/22/543514022.db2.gz VZQDFULTIVYEQD-UHFFFAOYSA-N -1 1 368.437 2.287 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)o1 ZINC000114704154 543530364 /nfs/dbraw/zinc/53/03/64/543530364.db2.gz DWTZQURHLHXYRJ-UHFFFAOYSA-N -1 1 360.338 2.350 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(CC1CC1)CC1CC1 ZINC000115479138 543569633 /nfs/dbraw/zinc/56/96/33/543569633.db2.gz DCDXSFOGBQJXRW-UHFFFAOYSA-N -1 1 352.438 2.331 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC2CCC2)o1 ZINC000118364870 543651619 /nfs/dbraw/zinc/65/16/19/543651619.db2.gz KCTTWCFWVHFRNR-UHFFFAOYSA-N -1 1 364.423 2.049 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(COC(C)C)c2)co1 ZINC000123035655 543738636 /nfs/dbraw/zinc/73/86/36/543738636.db2.gz AHBUNGBAWULAMZ-UHFFFAOYSA-N -1 1 352.412 2.365 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccc(Br)c1Cl)c1nn[n-]n1 ZINC000124231139 543808356 /nfs/dbraw/zinc/80/83/56/543808356.db2.gz UIQGOGFKWMDEGD-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000125991415 543912424 /nfs/dbraw/zinc/91/24/24/543912424.db2.gz YKPPGCNKKCPQQL-UHFFFAOYSA-N -1 1 361.391 2.310 20 0 FEADMM O=C(Cc1ccccc1I)[N-]O[C@H]1CCCCO1 ZINC000125745755 543899491 /nfs/dbraw/zinc/89/94/91/543899491.db2.gz QLXHEDZNXYGLKB-ZDUSSCGKSA-N -1 1 361.179 2.408 20 0 FEADMM CCN(C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1)C1CCCCC1 ZINC000127151128 543975371 /nfs/dbraw/zinc/97/53/71/543975371.db2.gz DXOIRKWAYZGERC-LLVKDONJSA-N -1 1 354.476 2.026 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127149229 543975510 /nfs/dbraw/zinc/97/55/10/543975510.db2.gz ULOSOPZXVQRRGP-VIFPVBQESA-N -1 1 368.846 2.445 20 0 FEADMM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127213855 543978548 /nfs/dbraw/zinc/97/85/48/543978548.db2.gz LDIAUMNAPIAKHU-RYUDHWBXSA-N -1 1 362.455 2.030 20 0 FEADMM CCN(CC(C)(C)O)C(=O)c1cc(I)ccc1[O-] ZINC000128140646 544034874 /nfs/dbraw/zinc/03/48/74/544034874.db2.gz ZEHAXIXNGVNHGC-UHFFFAOYSA-N -1 1 363.195 2.230 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nn1-c1ccccc1Cl ZINC000128214778 544039394 /nfs/dbraw/zinc/03/93/94/544039394.db2.gz ODSLEFSJLRHJEM-GFCCVEGCSA-N -1 1 371.832 2.367 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](O)Cc1ccccc1 ZINC000129224467 544098329 /nfs/dbraw/zinc/09/83/29/544098329.db2.gz HJLIOCWICWBWNN-ZUZCIYMTSA-N -1 1 359.369 2.374 20 0 FEADMM Cc1cc(Br)ccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129309004 544104781 /nfs/dbraw/zinc/10/47/81/544104781.db2.gz AMQDHMMBMKPEOE-JTQLQIEISA-N -1 1 350.220 2.290 20 0 FEADMM O=C(c1cc(Cl)ccc1OC(F)F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129405422 544110984 /nfs/dbraw/zinc/11/09/84/544110984.db2.gz GOWAQXJWSAIRHI-MRVPVSSYSA-N -1 1 357.748 2.474 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCc2csc3ccccc23)n1 ZINC000129929592 544132231 /nfs/dbraw/zinc/13/22/31/544132231.db2.gz YBHRBBYPVBDGHQ-UHFFFAOYSA-N -1 1 364.452 2.384 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCCc2csc3ccccc23)[n-]1 ZINC000129929592 544132235 /nfs/dbraw/zinc/13/22/35/544132235.db2.gz YBHRBBYPVBDGHQ-UHFFFAOYSA-N -1 1 364.452 2.384 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CCO)C1CCCCC1 ZINC000130095532 544138743 /nfs/dbraw/zinc/13/87/43/544138743.db2.gz CLYKNQSABUPVKN-KRWDZBQOSA-N -1 1 374.485 2.432 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)cnc2n1 ZINC000130264885 544144715 /nfs/dbraw/zinc/14/47/15/544144715.db2.gz MWYUKGJYMFOMST-SNVBAGLBSA-N -1 1 354.332 2.010 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)c[n-]c2n1 ZINC000130264885 544144716 /nfs/dbraw/zinc/14/47/16/544144716.db2.gz MWYUKGJYMFOMST-SNVBAGLBSA-N -1 1 354.332 2.010 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccccn1)c1nc(-c2cccnc2)no1 ZINC000131620241 544198229 /nfs/dbraw/zinc/19/82/29/544198229.db2.gz RETXDOJSOMRPSP-AWEZNQCLSA-N -1 1 359.411 2.202 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1Cc1ccncc1 ZINC000131658072 544200388 /nfs/dbraw/zinc/20/03/88/544200388.db2.gz DBNJGSXEOBVANV-MRXNPFEDSA-N -1 1 365.441 2.081 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCO)C3CC3)c2)c1 ZINC000132373312 544228940 /nfs/dbraw/zinc/22/89/40/544228940.db2.gz ZKNNUVFABGLLJV-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CCCc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1-c1ccccc1 ZINC000133386728 544267737 /nfs/dbraw/zinc/26/77/37/544267737.db2.gz CMEWSUCIKGIPRN-AWEZNQCLSA-N -1 1 365.441 2.358 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1 ZINC000135914979 544363359 /nfs/dbraw/zinc/36/33/59/544363359.db2.gz VVQMPGVGJRQXIP-UHFFFAOYSA-N -1 1 362.432 2.439 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1)c1nn[n-]n1 ZINC000136682675 544376905 /nfs/dbraw/zinc/37/69/05/544376905.db2.gz PNRSYIPWNGMPOY-SWLSCSKDSA-N -1 1 372.473 2.273 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2ccccc2)cc1OCC)c1nn[n-]n1 ZINC000136687071 544377037 /nfs/dbraw/zinc/37/70/37/544377037.db2.gz CFLAGTCPGYNSTR-ZDUSSCGKSA-N -1 1 355.402 2.055 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2SC)o1 ZINC000151200185 544516602 /nfs/dbraw/zinc/51/66/02/544516602.db2.gz HJTGBBYQLDNKFP-UHFFFAOYSA-N -1 1 354.453 2.148 20 0 FEADMM CCCC(O)(CCC)CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000152972568 544718629 /nfs/dbraw/zinc/71/86/29/544718629.db2.gz LGMXLXFHUSECNF-UHFFFAOYSA-N -1 1 355.504 2.180 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000155153801 544996272 /nfs/dbraw/zinc/99/62/72/544996272.db2.gz QDLCNAANBSQFHQ-UONOGXRCSA-N -1 1 356.216 2.175 20 0 FEADMM CS(=O)(=O)C[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000553397979 674257826 /nfs/dbraw/zinc/25/78/26/674257826.db2.gz GBNPLHSHYBAIIA-JTQLQIEISA-N -1 1 368.842 2.101 20 0 FEADMM O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000183749023 327833682 /nfs/dbraw/zinc/83/36/82/327833682.db2.gz KQRSACGTFLEXKB-UHFFFAOYSA-N -1 1 365.792 2.346 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)c1F ZINC000184967187 327892573 /nfs/dbraw/zinc/89/25/73/327892573.db2.gz UKZXNQZBRJGMJB-CYBMUJFWSA-N -1 1 372.462 2.231 20 0 FEADMM O=S(=O)([N-]c1ccncc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000185267129 327909130 /nfs/dbraw/zinc/90/91/30/327909130.db2.gz HWYGFZOQHIFCRU-GFCCVEGCSA-N -1 1 352.387 2.437 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCc3nc(C)nn3C2)cc(Cl)c1[O-] ZINC000186772206 327981551 /nfs/dbraw/zinc/98/15/51/327981551.db2.gz CUQRSYVGYZQUJE-NSHDSACASA-N -1 1 350.806 2.089 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c(F)c1 ZINC000188261516 328076471 /nfs/dbraw/zinc/07/64/71/328076471.db2.gz ZCKYBWLDXBWKNE-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1(C)C ZINC000188472192 328089130 /nfs/dbraw/zinc/08/91/30/328089130.db2.gz LYGQDEPUHQJQLQ-DOMZBBRYSA-N -1 1 365.854 2.324 20 0 FEADMM CC[C@]1(C)CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCO1 ZINC000189325466 328140849 /nfs/dbraw/zinc/14/08/49/328140849.db2.gz CQGVKDLKBNPSES-HXUWFJFHSA-N -1 1 370.453 2.100 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2c(C)ccn2C)c1 ZINC000190400394 328205492 /nfs/dbraw/zinc/20/54/92/328205492.db2.gz FTLOHHMBUJGGAR-UHFFFAOYSA-N -1 1 365.455 2.322 20 0 FEADMM CC1(C)[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@@H]1O ZINC000190522039 328213686 /nfs/dbraw/zinc/21/36/86/328213686.db2.gz YLSWFKPCAHRPRH-SJORKVTESA-N -1 1 374.462 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccccc2)C(C)C)o1 ZINC000190745817 328229852 /nfs/dbraw/zinc/22/98/52/328229852.db2.gz STEPQJVQSIJYSP-HNNXBMFYSA-N -1 1 364.467 2.432 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)c(F)c1 ZINC000191159293 328252058 /nfs/dbraw/zinc/25/20/58/328252058.db2.gz KNIZYXHHFDPWDJ-UHFFFAOYSA-N -1 1 351.403 2.245 20 0 FEADMM O=C(NC[C@H]1CC[C@H](O)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191209162 328254201 /nfs/dbraw/zinc/25/42/01/328254201.db2.gz MMPCPYSQAJBMDL-YOEHRIQHSA-N -1 1 374.462 2.378 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(I)ccc2[O-])[C@@H](C)CO1 ZINC000192614092 328328599 /nfs/dbraw/zinc/32/85/99/328328599.db2.gz GNOYGCBIAUWDPP-IUCAKERBSA-N -1 1 361.179 2.246 20 0 FEADMM COc1ccccc1Nc1ccccc1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000193099773 328357296 /nfs/dbraw/zinc/35/72/96/328357296.db2.gz XQCXKLBMYRQMHZ-UHFFFAOYSA-N -1 1 367.409 2.213 20 0 FEADMM COC(=O)c1cnc(S[C@@H]2CCN(c3c(F)cccc3F)C2=O)[n-]1 ZINC000193535583 328380510 /nfs/dbraw/zinc/38/05/10/328380510.db2.gz CQOKCSSNUKRUMB-LLVKDONJSA-N -1 1 353.350 2.372 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H]2CCN(c3c(F)cccc3F)C2=O)n1 ZINC000193535583 328380511 /nfs/dbraw/zinc/38/05/11/328380511.db2.gz CQOKCSSNUKRUMB-LLVKDONJSA-N -1 1 353.350 2.372 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C(N)=O)c2cccc(Br)c2)[n-]1 ZINC000193545907 328381103 /nfs/dbraw/zinc/38/11/03/328381103.db2.gz HIKBVWPPABCKEO-SNVBAGLBSA-N -1 1 370.228 2.278 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000193545907 328381105 /nfs/dbraw/zinc/38/11/05/328381105.db2.gz HIKBVWPPABCKEO-SNVBAGLBSA-N -1 1 370.228 2.278 20 0 FEADMM CN(Cc1nccn1C)C(=O)c1ccc(I)c([O-])c1 ZINC000230886750 328487134 /nfs/dbraw/zinc/48/71/34/328487134.db2.gz XFPOYIBQKHQVQJ-UHFFFAOYSA-N -1 1 371.178 2.003 20 0 FEADMM O=C(NC1(CO)CCCC1)c1ccc(I)c([O-])c1 ZINC000230904089 328487471 /nfs/dbraw/zinc/48/74/71/328487471.db2.gz IXSMWQQYKVABQK-UHFFFAOYSA-N -1 1 361.179 2.032 20 0 FEADMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1sccc1Br ZINC000049060982 324678488 /nfs/dbraw/zinc/67/84/88/324678488.db2.gz QGJYFCVDDRLYGS-VIFPVBQESA-N -1 1 370.290 2.377 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCN(CC(F)(F)F)CC1 ZINC000078643893 325055049 /nfs/dbraw/zinc/05/50/49/325055049.db2.gz YRXDRBFLAXTORD-UHFFFAOYSA-N -1 1 354.332 2.046 20 0 FEADMM C[C@@H](CCO)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000081002314 325152548 /nfs/dbraw/zinc/15/25/48/325152548.db2.gz YLJAYLLNOVTBFY-JTQLQIEISA-N -1 1 357.382 2.343 20 0 FEADMM CC(C)(O)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000081761790 325196083 /nfs/dbraw/zinc/19/60/83/325196083.db2.gz LJXKHVGJPJPCLT-UHFFFAOYSA-N -1 1 364.348 2.423 20 0 FEADMM Cc1cc([C@](C)(O)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C)o1 ZINC000081822102 325199757 /nfs/dbraw/zinc/19/97/57/325199757.db2.gz PDUWVWSAOCAOMF-LJQANCHMSA-N -1 1 361.442 2.223 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)n[n-]1 ZINC000086170589 325261684 /nfs/dbraw/zinc/26/16/84/325261684.db2.gz MQGDOPXNRDBYIT-LBPRGKRZSA-N -1 1 350.444 2.093 20 0 FEADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000094138828 325453802 /nfs/dbraw/zinc/45/38/02/325453802.db2.gz KBHKMZRXVPOOPM-RKDXNWHRSA-N -1 1 364.261 2.048 20 0 FEADMM O=C(NCCCO)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000098077002 325465864 /nfs/dbraw/zinc/46/58/64/325465864.db2.gz RDNDZIQVHYOKKX-UHFFFAOYSA-N -1 1 368.842 2.253 20 0 FEADMM COc1ccc(F)cc1[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104853795 325548059 /nfs/dbraw/zinc/54/80/59/325548059.db2.gz MNGRHIORNBHVMD-LLVKDONJSA-N -1 1 372.400 2.207 20 0 FEADMM O=C([O-])c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000106258108 325593300 /nfs/dbraw/zinc/59/33/00/325593300.db2.gz LSPAHUZIUIWCCK-UHFFFAOYSA-N -1 1 366.782 2.334 20 0 FEADMM O=c1cc(CN2CCC(OCCc3ccccc3)CC2)nc2cc[n-]n21 ZINC000108857097 325652501 /nfs/dbraw/zinc/65/25/01/325652501.db2.gz DJURWYGBNYUNBM-UHFFFAOYSA-N -1 1 352.438 2.246 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)cc1C ZINC000116601475 326027015 /nfs/dbraw/zinc/02/70/15/326027015.db2.gz ARGJFVZTPCZVSE-UHFFFAOYSA-N -1 1 360.483 2.251 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CC(F)F)c1 ZINC000116840478 326038300 /nfs/dbraw/zinc/03/83/00/326038300.db2.gz PWWRSCFICLYBMY-UHFFFAOYSA-N -1 1 358.370 2.162 20 0 FEADMM C[C@@H](O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000118719269 326098603 /nfs/dbraw/zinc/09/86/03/326098603.db2.gz NYVHTMZJDNBGDV-GFCCVEGCSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1ccc(C)c(N2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)c1 ZINC000119372409 326155144 /nfs/dbraw/zinc/15/51/44/326155144.db2.gz SPNCYJDJBNGGBS-UHFFFAOYSA-N -1 1 365.437 2.253 20 0 FEADMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nccn3C)n[nH]2)C1 ZINC000119721326 326191494 /nfs/dbraw/zinc/19/14/94/326191494.db2.gz XZTKAILJSDJFJT-QWHCGFSZSA-N -1 1 358.446 2.033 20 0 FEADMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000120015835 326221855 /nfs/dbraw/zinc/22/18/55/326221855.db2.gz WYMRGPKDGWNIKK-UHFFFAOYSA-N -1 1 366.406 2.226 20 0 FEADMM C[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000120647200 326275865 /nfs/dbraw/zinc/27/58/65/326275865.db2.gz AAJQDAIKLIDVHT-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000120815639 326290590 /nfs/dbraw/zinc/29/05/90/326290590.db2.gz HQBWNVIMOLQREF-OCCSQVGLSA-N -1 1 372.375 2.338 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)co1 ZINC000120854900 326293863 /nfs/dbraw/zinc/29/38/63/326293863.db2.gz LEDCWDRBZWVQNP-UHFFFAOYSA-N -1 1 364.301 2.181 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000120918507 326299045 /nfs/dbraw/zinc/29/90/45/326299045.db2.gz GVHCFXQGIXGXLR-OAQYLSRUSA-N -1 1 361.401 2.237 20 0 FEADMM Cc1nc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000121351272 326331662 /nfs/dbraw/zinc/33/16/62/326331662.db2.gz JJUSBEFMKIBDDS-UHFFFAOYSA-N -1 1 351.403 2.167 20 0 FEADMM C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)[S@](C)=O ZINC000124168489 326448888 /nfs/dbraw/zinc/44/88/88/326448888.db2.gz QYGJRORRPVODHT-ZWBDZOEQSA-N -1 1 350.314 2.490 20 0 FEADMM O=C(C1CCCCC1)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000126314561 326486834 /nfs/dbraw/zinc/48/68/34/326486834.db2.gz PEFMRGRLYPNXKR-AWEZNQCLSA-N -1 1 372.437 2.424 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000129551347 326542602 /nfs/dbraw/zinc/54/26/02/326542602.db2.gz DODOWDYCZXCFFS-LBPRGKRZSA-N -1 1 351.399 2.432 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1 ZINC000130491319 326557882 /nfs/dbraw/zinc/55/78/82/326557882.db2.gz QPTWSJTYGFRZAI-UHFFFAOYSA-N -1 1 357.395 2.027 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NCc1ccco1 ZINC000131367663 326573469 /nfs/dbraw/zinc/57/34/69/326573469.db2.gz XWXWFWWQQWCHGH-SECBINFHSA-N -1 1 360.794 2.055 20 0 FEADMM CCOCCC1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCCC1 ZINC000133704046 326613537 /nfs/dbraw/zinc/61/35/37/326613537.db2.gz XCGKMSNGKUZVBX-UHFFFAOYSA-N -1 1 374.485 2.285 20 0 FEADMM O=c1[nH]c2ccccc2n1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000150839079 326669161 /nfs/dbraw/zinc/66/91/61/326669161.db2.gz BQXWNBPMYFXELL-UHFFFAOYSA-N -1 1 357.391 2.054 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000151024829 326673236 /nfs/dbraw/zinc/67/32/36/326673236.db2.gz HELLFHPWTACJOE-UHFFFAOYSA-N -1 1 370.780 2.163 20 0 FEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000152974524 326720925 /nfs/dbraw/zinc/72/09/25/326720925.db2.gz FLBHKRMUSJIMOB-CQSZACIVSA-N -1 1 351.428 2.196 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1CCN(c2ncnc3ccsc32)CC1 ZINC000154925069 326772691 /nfs/dbraw/zinc/77/26/91/326772691.db2.gz SJWGMJCAPOHKTK-UHFFFAOYSA-N -1 1 358.398 2.498 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000161677043 327006264 /nfs/dbraw/zinc/00/62/64/327006264.db2.gz QNFMETOQOCRZHC-NHYWBVRUSA-N -1 1 361.417 2.367 20 0 FEADMM O=C(NCCc1nnc2n1CCCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000166320262 327081583 /nfs/dbraw/zinc/08/15/83/327081583.db2.gz APZUZPRYPMEJFP-UHFFFAOYSA-N -1 1 354.332 2.311 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)n1cncn1 ZINC000172832959 327221403 /nfs/dbraw/zinc/22/14/03/327221403.db2.gz GVEPLORZWAOLST-ZDUSSCGKSA-N -1 1 371.422 2.279 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2NC(C)C)o1 ZINC000173001004 327229268 /nfs/dbraw/zinc/22/92/68/327229268.db2.gz RPYYNYZUYXTXBY-UHFFFAOYSA-N -1 1 355.391 2.399 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000173108960 327235751 /nfs/dbraw/zinc/23/57/51/327235751.db2.gz PFBXJKSOIOJPOH-QHCPKHFHSA-N -1 1 366.464 2.438 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccc1)CC(F)F ZINC000174631716 327340139 /nfs/dbraw/zinc/34/01/39/327340139.db2.gz MLDHOWDJRUBMSR-UHFFFAOYSA-N -1 1 374.391 2.476 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000174649479 327341431 /nfs/dbraw/zinc/34/14/31/327341431.db2.gz JXXRAFVIBPJUTP-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cn(CC(C)C)cn2)o1 ZINC000175028139 327368982 /nfs/dbraw/zinc/36/89/82/327368982.db2.gz MZXVYBDOEAJDDO-AWEZNQCLSA-N -1 1 355.460 2.361 20 0 FEADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000175278948 327384134 /nfs/dbraw/zinc/38/41/34/327384134.db2.gz VSCVDEHKSFYGNQ-LSDHHAIUSA-N -1 1 362.499 2.362 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000176042177 327429973 /nfs/dbraw/zinc/42/99/73/327429973.db2.gz HVBKKDZPAFJISO-JTQLQIEISA-N -1 1 368.437 2.361 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)ccc1C ZINC000176678453 327469721 /nfs/dbraw/zinc/46/97/21/327469721.db2.gz PMFHFAXYWVFCOQ-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000176692846 327470495 /nfs/dbraw/zinc/47/04/95/327470495.db2.gz QNTUMYZYPBEAKY-QGZVFWFLSA-N -1 1 368.437 2.422 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)nc1Cl ZINC000178704027 327601271 /nfs/dbraw/zinc/60/12/71/327601271.db2.gz WKKDOCKHYIVVBS-MFKMUULPSA-N -1 1 359.234 2.325 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC(C(=O)[O-])CC1 ZINC000262603746 328875714 /nfs/dbraw/zinc/87/57/14/328875714.db2.gz AMCDSNMUNAMMGY-LBPRGKRZSA-N -1 1 361.467 2.440 20 0 FEADMM C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC(C(=O)[O-])CC1 ZINC000262603743 328875766 /nfs/dbraw/zinc/87/57/66/328875766.db2.gz AMCDSNMUNAMMGY-GFCCVEGCSA-N -1 1 361.467 2.440 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)o1 ZINC000264202438 328999630 /nfs/dbraw/zinc/99/96/30/328999630.db2.gz URABMNUPWZDURR-UHFFFAOYSA-N -1 1 367.402 2.179 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CCSCC1 ZINC000264805987 329062795 /nfs/dbraw/zinc/06/27/95/329062795.db2.gz IIOHSCCXLBVIKW-UHFFFAOYSA-N -1 1 370.496 2.258 20 0 FEADMM COc1ccc(NC(=O)N(C)Cc2ccccn2)cc1[N-]S(C)(=O)=O ZINC000266946993 329275412 /nfs/dbraw/zinc/27/54/12/329275412.db2.gz FKBZSAUFKFWAIO-UHFFFAOYSA-N -1 1 364.427 2.126 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCn1c(C)nc2ccccc21 ZINC000266968663 329278139 /nfs/dbraw/zinc/27/81/39/329278139.db2.gz KPFQLUBTUOZDFB-UHFFFAOYSA-N -1 1 357.439 2.301 20 0 FEADMM CO[C@@H](C)c1noc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1 ZINC000267066193 329288276 /nfs/dbraw/zinc/28/82/76/329288276.db2.gz FLCKDPMGYRJGMZ-JTQLQIEISA-N -1 1 363.418 2.151 20 0 FEADMM COc1ccc(NC(=O)c2ccnn2C(C)C)cc1[N-]S(C)(=O)=O ZINC000268755258 329452834 /nfs/dbraw/zinc/45/28/34/329452834.db2.gz LJGFBZQPZKWJCB-UHFFFAOYSA-N -1 1 352.416 2.096 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOc3ncc(C)cc32)c(=O)[n-]1 ZINC000270756469 329628783 /nfs/dbraw/zinc/62/87/83/329628783.db2.gz OPROVZBOKMQLOQ-UHFFFAOYSA-N -1 1 360.439 2.274 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)o1 ZINC000271440980 329694252 /nfs/dbraw/zinc/69/42/52/329694252.db2.gz GWSBDKBIRCDKFZ-UHFFFAOYSA-N -1 1 366.414 2.080 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000272009252 329744859 /nfs/dbraw/zinc/74/48/59/329744859.db2.gz ZKDWKZMZRFTRJW-BETUJISGSA-N -1 1 356.426 2.121 20 0 FEADMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272263064 329764668 /nfs/dbraw/zinc/76/46/68/329764668.db2.gz VHEAAVUJEXOCCD-LJQANCHMSA-N -1 1 359.300 2.214 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCCO2)cc1[N-]S(C)(=O)=O ZINC000272307876 329769090 /nfs/dbraw/zinc/76/90/90/329769090.db2.gz RFTDITUXKVSKSO-RISCZKNCSA-N -1 1 371.459 2.146 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000273684341 329883872 /nfs/dbraw/zinc/88/38/72/329883872.db2.gz LEYFDYNXGWRBOI-GFCCVEGCSA-N -1 1 372.462 2.231 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000273975826 329906598 /nfs/dbraw/zinc/90/65/98/329906598.db2.gz SLWVBFCULADONZ-UWVGGRQHSA-N -1 1 363.863 2.338 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000274139911 329919226 /nfs/dbraw/zinc/91/92/26/329919226.db2.gz BYVGSVSKEJKZSO-SECBINFHSA-N -1 1 361.288 2.046 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)s1)c1ccc2c(c1)CCO2 ZINC000274341788 329940100 /nfs/dbraw/zinc/94/01/00/329940100.db2.gz BIWDIBOIXQSYMQ-OAHLLOKOSA-N -1 1 367.448 2.184 20 0 FEADMM COc1ccc2c(c1)[C@@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)CCO2 ZINC000274344583 329940295 /nfs/dbraw/zinc/94/02/95/329940295.db2.gz FJXFMSGCOXOBEW-LBPRGKRZSA-N -1 1 361.423 2.475 20 0 FEADMM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1c(Cl)ccnc1Cl ZINC000274344371 329940326 /nfs/dbraw/zinc/94/03/26/329940326.db2.gz CAEIKBLKRNFPCY-VIFPVBQESA-N -1 1 351.211 2.383 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)c3ccc([O-])cc3F)CC2=O)cc1 ZINC000274394204 329944582 /nfs/dbraw/zinc/94/45/82/329944582.db2.gz QJYOIZBKAMCTMJ-UHFFFAOYSA-N -1 1 372.396 2.415 20 0 FEADMM CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275051071 330005636 /nfs/dbraw/zinc/00/56/36/330005636.db2.gz WZQTZCXSZMLSEH-RHSMWYFYSA-N -1 1 368.499 2.418 20 0 FEADMM O=C(Cc1cc2c(cc1Br)OCCO2)[N-]O[C@@H]1CCCCO1 ZINC000275787093 330089169 /nfs/dbraw/zinc/08/91/69/330089169.db2.gz DHJYWMXPHHDSIQ-OAHLLOKOSA-N -1 1 372.215 2.337 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccnc(N2CCCC2)n1 ZINC000275888487 330100343 /nfs/dbraw/zinc/10/03/43/330100343.db2.gz PKJIYFMSQCGBNK-UHFFFAOYSA-N -1 1 364.203 2.192 20 0 FEADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)s1 ZINC000276235016 330132010 /nfs/dbraw/zinc/13/20/10/330132010.db2.gz IDYVUIOUYZMPPX-UHFFFAOYSA-N -1 1 372.472 2.294 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288715102 330187982 /nfs/dbraw/zinc/18/79/82/330187982.db2.gz YCTJRNWVJNQMEW-ZDUSSCGKSA-N -1 1 366.361 2.273 20 0 FEADMM CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000364817588 330207483 /nfs/dbraw/zinc/20/74/83/330207483.db2.gz YFDCNOUHSNHGES-GXSJLCMTSA-N -1 1 371.315 2.305 20 0 FEADMM CCCc1c([N-]S(=O)(=O)C[C@@H](C)OC)cnn1-c1cc(C)ccn1 ZINC000367179989 330226704 /nfs/dbraw/zinc/22/67/04/330226704.db2.gz QZOLVTNSXWRALO-CYBMUJFWSA-N -1 1 352.460 2.305 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(OCC(F)(F)F)c1 ZINC000433154760 330273735 /nfs/dbraw/zinc/27/37/35/330273735.db2.gz UYODINUHCLJHQE-UHFFFAOYSA-N -1 1 355.320 2.340 20 0 FEADMM CC(C)[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Cl)cc1 ZINC000804709215 674298164 /nfs/dbraw/zinc/29/81/64/674298164.db2.gz YCNBETIFXYMNGK-HNNXBMFYSA-N -1 1 363.845 2.136 20 0 FEADMM CC(C)([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(F)F ZINC000805085961 674318040 /nfs/dbraw/zinc/31/80/40/674318040.db2.gz XCGXEGYURGMBJC-UHFFFAOYSA-N -1 1 363.354 2.005 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-][C@H]2CCCC2(F)F)CC1 ZINC000805143670 674323033 /nfs/dbraw/zinc/32/30/33/674323033.db2.gz NTJOQNYUQMFKEW-LBPRGKRZSA-N -1 1 368.446 2.493 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc2ccccc2o1 ZINC000554911233 674340913 /nfs/dbraw/zinc/34/09/13/674340913.db2.gz VILLHWSGXJDWPO-PBHICJAKSA-N -1 1 365.451 2.279 20 0 FEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)o1 ZINC000555573755 674367353 /nfs/dbraw/zinc/36/73/53/674367353.db2.gz OOMJLIJRSIRFJJ-UHFFFAOYSA-N -1 1 370.402 2.340 20 0 FEADMM C[C@H](CCCCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000398695840 558627004 /nfs/dbraw/zinc/62/70/04/558627004.db2.gz VREMTCBAVXEXKV-SECBINFHSA-N -1 1 363.195 2.278 20 0 FEADMM O=C(Cc1cc(Br)ccc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155526381 545538338 /nfs/dbraw/zinc/53/83/38/545538338.db2.gz DUVGPEFJJDEGML-SECBINFHSA-N -1 1 368.210 2.050 20 0 FEADMM Cc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1Br ZINC000155550845 545541145 /nfs/dbraw/zinc/54/11/45/545541145.db2.gz JUBGHGXDLNSFGF-NSHDSACASA-N -1 1 350.220 2.290 20 0 FEADMM C[C@H](CN(C)C(=O)COc1ccccc1Cc1ccccc1)c1nn[n-]n1 ZINC000156533108 545634010 /nfs/dbraw/zinc/63/40/10/545634010.db2.gz NOSJXRKOSSIBQL-OAHLLOKOSA-N -1 1 365.437 2.431 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000477619000 561149500 /nfs/dbraw/zinc/14/95/00/561149500.db2.gz QUJQZNAGOYFRGH-KGLIPLIRSA-N -1 1 357.410 2.428 20 0 FEADMM CCNC(=O)N(C)c1cccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000477660116 561150496 /nfs/dbraw/zinc/15/04/96/561150496.db2.gz AYUNEMKVGPDGBK-UHFFFAOYSA-N -1 1 368.397 2.092 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ncco4)cc3)cc21 ZINC000157717395 545774176 /nfs/dbraw/zinc/77/41/76/545774176.db2.gz QZJHXNRLEZYETB-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157775345 545781557 /nfs/dbraw/zinc/78/15/57/545781557.db2.gz AILFYORSDWVMFL-UHFFFAOYSA-N -1 1 374.340 2.030 20 0 FEADMM Cc1cn(-c2cccc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)c2)c(=O)[nH]1 ZINC000477810307 561153651 /nfs/dbraw/zinc/15/36/51/561153651.db2.gz LMPUNIAMDCGKLC-UHFFFAOYSA-N -1 1 364.365 2.126 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000158354418 545852166 /nfs/dbraw/zinc/85/21/66/545852166.db2.gz FTFKOCFVJXAFME-UHFFFAOYSA-N -1 1 367.243 2.239 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(OCc2ccncc2)cc1)c1nn[n-]n1 ZINC000478584019 561170208 /nfs/dbraw/zinc/17/02/08/561170208.db2.gz JYLHTRZJTJJOJL-ZDUSSCGKSA-N -1 1 352.398 2.049 20 0 FEADMM Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1NC(=O)NC(C)(C)C ZINC000478604839 561170971 /nfs/dbraw/zinc/17/09/71/561170971.db2.gz YOMJTOJVOCWYHM-LBPRGKRZSA-N -1 1 373.461 2.304 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1OC ZINC000478670207 561172380 /nfs/dbraw/zinc/17/23/80/561172380.db2.gz BNQHZSNQPGUSRC-UHFFFAOYSA-N -1 1 364.423 2.349 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc4c[nH]nc4cc3C)cc12 ZINC000479131243 561182207 /nfs/dbraw/zinc/18/22/07/561182207.db2.gz NFILFOIXSZLPHI-UHFFFAOYSA-N -1 1 356.411 2.262 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](OCC)C23CCC3)o1 ZINC000479206706 561184585 /nfs/dbraw/zinc/18/45/85/561184585.db2.gz HQYPVTWTVAWYOD-OLZOCXBDSA-N -1 1 357.428 2.082 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1C(=O)[O-] ZINC000479234533 561185547 /nfs/dbraw/zinc/18/55/47/561185547.db2.gz CXSNOCVJPITBEO-UHFFFAOYSA-N -1 1 370.818 2.003 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Cn3cncn3)c1)OCO2 ZINC000479233692 561185578 /nfs/dbraw/zinc/18/55/78/561185578.db2.gz GTHWZWGRZKAJRV-UHFFFAOYSA-N -1 1 372.406 2.164 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)o1 ZINC000175646457 546327430 /nfs/dbraw/zinc/32/74/30/546327430.db2.gz XXYKFHBIJSZFFN-NEPJUHHUSA-N -1 1 352.412 2.394 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000176190480 546417995 /nfs/dbraw/zinc/41/79/95/546417995.db2.gz MQYZWKOAVNFDGX-UHFFFAOYSA-N -1 1 352.398 2.209 20 0 FEADMM Cn1cnc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000179397613 546945322 /nfs/dbraw/zinc/94/53/22/546945322.db2.gz AEIOOFRQAWNSGS-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCn2ccc3ccccc32)c1 ZINC000179538284 546973586 /nfs/dbraw/zinc/97/35/86/546973586.db2.gz DRHUMOJTNSLOPQ-UHFFFAOYSA-N -1 1 359.407 2.023 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(F)ccc1OCC1CC1 ZINC000482486229 561254726 /nfs/dbraw/zinc/25/47/26/561254726.db2.gz DAXKONHJKVAZHX-UHFFFAOYSA-N -1 1 359.357 2.084 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000180606723 547140317 /nfs/dbraw/zinc/14/03/17/547140317.db2.gz CVNDWUICZAWRPP-ZDUSSCGKSA-N -1 1 358.360 2.348 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1ccco1)CC(F)(F)F)c2=O ZINC000181885660 547398199 /nfs/dbraw/zinc/39/81/99/547398199.db2.gz UEYGMNDHALJSRR-UHFFFAOYSA-N -1 1 354.288 2.472 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1nn[n-]n1 ZINC000182149481 547444246 /nfs/dbraw/zinc/44/42/46/547444246.db2.gz SHMDSNWIUOHRKN-GZMMTYOYSA-N -1 1 373.383 2.336 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1ccc(Br)cc1)c1nn[n-]n1 ZINC000183400241 547650405 /nfs/dbraw/zinc/65/04/05/547650405.db2.gz GZOPPOIDCIHOIB-SNVBAGLBSA-N -1 1 352.236 2.157 20 0 FEADMM C[C@@H](CN(C)C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nn[n-]n1 ZINC000183420222 547655751 /nfs/dbraw/zinc/65/57/51/547655751.db2.gz YKTSHABLHTVCKE-LBPRGKRZSA-N -1 1 363.849 2.163 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1nn[n-]n1 ZINC000183429108 547657766 /nfs/dbraw/zinc/65/77/66/547657766.db2.gz KIPGYUJPZBYCQP-WQAKAFBOSA-N -1 1 364.247 2.328 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000484573908 561300481 /nfs/dbraw/zinc/30/04/81/561300481.db2.gz SCBSWVFKDWFBGX-UHFFFAOYSA-N -1 1 355.437 2.037 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccc(F)c(C)c1 ZINC000184253650 547794460 /nfs/dbraw/zinc/79/44/60/547794460.db2.gz AGNVULONEKWRKA-OAHLLOKOSA-N -1 1 355.362 2.466 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc3c(c2)nnn3C)c1 ZINC000184481559 547833914 /nfs/dbraw/zinc/83/39/14/547833914.db2.gz VVWFRSZOMKXNLV-UHFFFAOYSA-N -1 1 362.187 2.392 20 0 FEADMM CCc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000184915668 547899481 /nfs/dbraw/zinc/89/94/81/547899481.db2.gz HFKZBKSZBYKTSY-KBPBESRZSA-N -1 1 368.499 2.346 20 0 FEADMM COC(=O)c1c(F)ccc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c1F ZINC000485178408 561314259 /nfs/dbraw/zinc/31/42/59/561314259.db2.gz PMSRUXCWMOHLAU-UHFFFAOYSA-N -1 1 361.308 2.058 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)c1 ZINC000485254753 561315885 /nfs/dbraw/zinc/31/58/85/561315885.db2.gz PQVKRDHNYNXNDB-UHFFFAOYSA-N -1 1 363.326 2.375 20 0 FEADMM O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1c([O-])cccc1F ZINC000185201789 547950860 /nfs/dbraw/zinc/95/08/60/547950860.db2.gz QFXLMGWJZRIZGN-MRXNPFEDSA-N -1 1 354.341 2.364 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@H](COCC2CC2)C1 ZINC000485541314 561321893 /nfs/dbraw/zinc/32/18/93/561321893.db2.gz OIXHZFYAXQMUKO-ZDUSSCGKSA-N -1 1 370.243 2.422 20 0 FEADMM CS(=O)(=O)C1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000185759487 548031950 /nfs/dbraw/zinc/03/19/50/548031950.db2.gz WDCVFDQPEMOGNZ-UHFFFAOYSA-N -1 1 369.867 2.113 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(OCCOC)cc1Cl)c1nn[n-]n1 ZINC000186046487 548077783 /nfs/dbraw/zinc/07/77/83/548077783.db2.gz MVDYOBXBYNTPMW-ZDUSSCGKSA-N -1 1 353.810 2.150 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)co1 ZINC000186262542 548108540 /nfs/dbraw/zinc/10/85/40/548108540.db2.gz ZXTBWTGCWMPEPA-SNVBAGLBSA-N -1 1 350.396 2.047 20 0 FEADMM COc1cc(Br)c(/C=C\c2cc(=O)n3[n-]cnc3n2)cc1O ZINC000486191323 561340491 /nfs/dbraw/zinc/34/04/91/561340491.db2.gz BZINYLBWDJJPFH-IHWYPQMZSA-N -1 1 363.171 2.065 20 0 FEADMM CCN(CC(=O)OC)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486191198 561340542 /nfs/dbraw/zinc/34/05/42/561340542.db2.gz JHHPBQPIDLGHID-UHFFFAOYSA-N -1 1 367.199 2.338 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)o1 ZINC000190944309 548336566 /nfs/dbraw/zinc/33/65/66/548336566.db2.gz CHBTXRLOHXZKTF-UHFFFAOYSA-N -1 1 359.350 2.256 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1 ZINC000486525833 561349810 /nfs/dbraw/zinc/34/98/10/561349810.db2.gz JAPVPKBBYWTFQG-UHFFFAOYSA-N -1 1 374.422 2.144 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)c1 ZINC000486604566 561352083 /nfs/dbraw/zinc/35/20/83/561352083.db2.gz RPUXAKPOEOSWHU-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM CC(C)c1ccc([C@H](NC(=O)CS(=O)(=O)c2nc[n-]n2)C(C)C)cc1 ZINC000195044532 548567982 /nfs/dbraw/zinc/56/79/82/548567982.db2.gz QOYOGDJXAZSVSI-MRXNPFEDSA-N -1 1 364.471 2.215 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)CCc3scnc3C)n2)cc1 ZINC000195120392 548580300 /nfs/dbraw/zinc/58/03/00/548580300.db2.gz XTISGWOMERWPGR-UHFFFAOYSA-N -1 1 364.452 2.262 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CCc3scnc3C)n[n-]2)cc1 ZINC000195120392 548580304 /nfs/dbraw/zinc/58/03/04/548580304.db2.gz XTISGWOMERWPGR-UHFFFAOYSA-N -1 1 364.452 2.262 20 0 FEADMM CCC(CC)NC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195128688 548580619 /nfs/dbraw/zinc/58/06/19/548580619.db2.gz PQWOPBBOVLIFHD-JTQLQIEISA-N -1 1 368.434 2.078 20 0 FEADMM CCC(CC)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195128688 548580623 /nfs/dbraw/zinc/58/06/23/548580623.db2.gz PQWOPBBOVLIFHD-JTQLQIEISA-N -1 1 368.434 2.078 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2cc(F)cc3c2OCOC3)n[n-]1 ZINC000195165504 548588316 /nfs/dbraw/zinc/58/83/16/548588316.db2.gz XGFROZKHYJPURQ-UHFFFAOYSA-N -1 1 355.391 2.082 20 0 FEADMM C[C@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195165300 548588367 /nfs/dbraw/zinc/58/83/67/548588367.db2.gz YIEPIUANHIKKTA-SECBINFHSA-N -1 1 354.407 2.042 20 0 FEADMM C[C@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195165300 548588369 /nfs/dbraw/zinc/58/83/69/548588369.db2.gz YIEPIUANHIKKTA-SECBINFHSA-N -1 1 354.407 2.042 20 0 FEADMM C[C@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195165300 548588373 /nfs/dbraw/zinc/58/83/73/548588373.db2.gz YIEPIUANHIKKTA-SECBINFHSA-N -1 1 354.407 2.042 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2)[n-]1 ZINC000195166682 548588713 /nfs/dbraw/zinc/58/87/13/548588713.db2.gz RZSGRXQCQVOXBH-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2)n1 ZINC000195166682 548588717 /nfs/dbraw/zinc/58/87/17/548588717.db2.gz RZSGRXQCQVOXBH-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2)n[n-]1 ZINC000195166682 548588720 /nfs/dbraw/zinc/58/87/20/548588720.db2.gz RZSGRXQCQVOXBH-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM O=S(=O)([N-]CC(F)(F)F)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000195174781 548589616 /nfs/dbraw/zinc/58/96/16/548589616.db2.gz PAFZCMBTYXKFIC-CQSZACIVSA-N -1 1 365.421 2.027 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cc1Cl ZINC000195172713 548589840 /nfs/dbraw/zinc/58/98/40/548589840.db2.gz WRMONYCDXDJKPZ-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1Cl ZINC000195172713 548589843 /nfs/dbraw/zinc/58/98/43/548589843.db2.gz WRMONYCDXDJKPZ-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1Cl ZINC000195172713 548589846 /nfs/dbraw/zinc/58/98/46/548589846.db2.gz WRMONYCDXDJKPZ-UHFFFAOYSA-N -1 1 370.862 2.476 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175547 548591748 /nfs/dbraw/zinc/59/17/48/548591748.db2.gz YXWRRZORKMNOHS-NEPJUHHUSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175547 548591749 /nfs/dbraw/zinc/59/17/49/548591749.db2.gz YXWRRZORKMNOHS-NEPJUHHUSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195175547 548591751 /nfs/dbraw/zinc/59/17/51/548591751.db2.gz YXWRRZORKMNOHS-NEPJUHHUSA-N -1 1 356.492 2.056 20 0 FEADMM O=C(NCCc1ccncc1)c1cc(I)ccc1[O-] ZINC000219747985 548696440 /nfs/dbraw/zinc/69/64/40/548696440.db2.gz LOPVRSMATIESJT-UHFFFAOYSA-N -1 1 368.174 2.364 20 0 FEADMM CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3ccc([O-])c(Cl)c3)c2C1 ZINC000487305911 561367529 /nfs/dbraw/zinc/36/75/29/561367529.db2.gz NPLAHFYLVXSFIW-LLVKDONJSA-N -1 1 362.817 2.193 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c(NC(N)=O)c1 ZINC000487354595 561368196 /nfs/dbraw/zinc/36/81/96/561368196.db2.gz OAOZIVNKVLUFEO-UHFFFAOYSA-N -1 1 365.411 2.133 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1NC(N)=O ZINC000487379266 561368672 /nfs/dbraw/zinc/36/86/72/561368672.db2.gz MTUPJKJOZKOYQA-UHFFFAOYSA-N -1 1 363.395 2.189 20 0 FEADMM CCn1cnc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Br)c1 ZINC000230096145 548757892 /nfs/dbraw/zinc/75/78/92/548757892.db2.gz BDOPZFJPJYLORY-UHFFFAOYSA-N -1 1 374.216 2.165 20 0 FEADMM O=C(NCc1ccncc1)c1ccc(I)c([O-])c1 ZINC000230885354 548761408 /nfs/dbraw/zinc/76/14/08/548761408.db2.gz IQLISMRFJLZAEV-UHFFFAOYSA-N -1 1 354.147 2.322 20 0 FEADMM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(I)c([O-])c1 ZINC000230904189 548762662 /nfs/dbraw/zinc/76/26/62/548762662.db2.gz IUNQYKYJETZBRM-DGCLKSJQSA-N -1 1 373.190 2.294 20 0 FEADMM COc1ccccc1C[C@@H](CNC(=O)Cc1[nH]nc2ccccc21)C(=O)[O-] ZINC000237218259 548809787 /nfs/dbraw/zinc/80/97/87/548809787.db2.gz BMMMNIFKYIFLDM-AWEZNQCLSA-N -1 1 367.405 2.174 20 0 FEADMM Cc1ccccc1C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000488979493 561400906 /nfs/dbraw/zinc/40/09/06/561400906.db2.gz XUMDXSXAAUBIOE-UHFFFAOYSA-N -1 1 353.422 2.232 20 0 FEADMM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000248863364 549515432 /nfs/dbraw/zinc/51/54/32/549515432.db2.gz GQFYCRXNBTUSTB-UTUOFQBUSA-N -1 1 360.501 2.091 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489988335 561424037 /nfs/dbraw/zinc/42/40/37/561424037.db2.gz FSFGQGNXAOUABV-VIFPVBQESA-N -1 1 368.427 2.424 20 0 FEADMM CCc1ccc(C(C)(C)CNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000490030926 561424931 /nfs/dbraw/zinc/42/49/31/561424931.db2.gz MZVPTPNTKAAVQB-UHFFFAOYSA-N -1 1 355.438 2.173 20 0 FEADMM CCc1ccc([C@@H]2CNCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 ZINC000262312851 549809368 /nfs/dbraw/zinc/80/93/68/549809368.db2.gz ZDJICBIBVHRKOY-SFHVURJKSA-N -1 1 354.454 2.077 20 0 FEADMM CCOc1cc(C(=O)NC[C@H](CO)c2cccnc2)cc(Cl)c1[O-] ZINC000490402061 561432479 /nfs/dbraw/zinc/43/24/79/561432479.db2.gz YOOKSEOQJQSCJQ-CYBMUJFWSA-N -1 1 350.802 2.345 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)NCCCC(=O)[O-])N1CCCCC1 ZINC000263139783 549880534 /nfs/dbraw/zinc/88/05/34/549880534.db2.gz ZPBAZCAGIIMIHC-MRXNPFEDSA-N -1 1 363.458 2.386 20 0 FEADMM Cc1cc2c[nH]nc2c(C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)c1 ZINC000263161439 549882295 /nfs/dbraw/zinc/88/22/95/549882295.db2.gz JSHOYPISNXGVKU-UHFFFAOYSA-N -1 1 353.382 2.243 20 0 FEADMM COc1cc(CCC(=O)Nc2nc(SCCO)n[nH]2)ccc1Cl ZINC000490567485 561435201 /nfs/dbraw/zinc/43/52/01/561435201.db2.gz PBSWXTYJXOJFMM-UHFFFAOYSA-N -1 1 356.835 2.122 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCOCC12CCCC2 ZINC000270611835 550289013 /nfs/dbraw/zinc/28/90/13/550289013.db2.gz FLIWPJNBXYLYCQ-UHFFFAOYSA-N -1 1 368.437 2.267 20 0 FEADMM COc1cccc(OC)c1CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000270976044 550327286 /nfs/dbraw/zinc/32/72/86/550327286.db2.gz UPCYETSGSVDZDU-GFCCVEGCSA-N -1 1 368.430 2.207 20 0 FEADMM CCN(CCCO)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271484129 550378730 /nfs/dbraw/zinc/37/87/30/550378730.db2.gz WQZHOCMQKJBDRW-UHFFFAOYSA-N -1 1 364.320 2.348 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC[C@@H](O)C2CC2)c1)OCC(F)(F)F ZINC000271514275 550381344 /nfs/dbraw/zinc/38/13/44/550381344.db2.gz WBLZTNBIEJLDEL-GFCCVEGCSA-N -1 1 362.304 2.004 20 0 FEADMM CC(C)(C)c1nc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cs1 ZINC000272122085 550423986 /nfs/dbraw/zinc/42/39/86/550423986.db2.gz JTWRUHZLUAYFRY-UHFFFAOYSA-N -1 1 355.441 2.046 20 0 FEADMM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000494372757 561468248 /nfs/dbraw/zinc/46/82/48/561468248.db2.gz CFFHYZQNNIIYEH-ZETCQYMHSA-N -1 1 358.204 2.431 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1nn[n-]n1 ZINC000273572811 550503617 /nfs/dbraw/zinc/50/36/17/550503617.db2.gz LKFBRFACWDLRQF-GFCCVEGCSA-N -1 1 374.445 2.100 20 0 FEADMM CSc1nc(C(C)(C)C)nc(C)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000274773845 550553626 /nfs/dbraw/zinc/55/36/26/550553626.db2.gz MOAYVDGJHSYPAG-SECBINFHSA-N -1 1 363.491 2.193 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C(C)C)C(C)(C)O ZINC000276829513 550600829 /nfs/dbraw/zinc/60/08/29/550600829.db2.gz WBABMQWHFGRBEH-INIZCTEOSA-N -1 1 358.442 2.007 20 0 FEADMM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2c(C)[n-]c(=O)nc2SC)[nH]1 ZINC000277054540 550626792 /nfs/dbraw/zinc/62/67/92/550626792.db2.gz LTDWIVPWJGHQET-VXNVDRBHSA-N -1 1 350.448 2.335 20 0 FEADMM Cc1cnc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c([O-])c1 ZINC000494841900 561477584 /nfs/dbraw/zinc/47/75/84/561477584.db2.gz IQLWYEDEOSGLPM-UHFFFAOYSA-N -1 1 373.478 2.368 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)c1 ZINC000278040122 550742120 /nfs/dbraw/zinc/74/21/20/550742120.db2.gz LAYHHZVLRBXCAO-XJKSGUPXSA-N -1 1 358.398 2.326 20 0 FEADMM CCS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000278168451 550756553 /nfs/dbraw/zinc/75/65/53/550756553.db2.gz NKWOSBDKBYXHQW-NSHDSACASA-N -1 1 355.391 2.110 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCOc2cccc(C)c2C)o1 ZINC000278321663 550772695 /nfs/dbraw/zinc/77/26/95/550772695.db2.gz FAZIEESMAIGMBE-UHFFFAOYSA-N -1 1 366.439 2.003 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)sc1C ZINC000278487293 550791580 /nfs/dbraw/zinc/79/15/80/550791580.db2.gz KQAAACXCYVNWDC-UHFFFAOYSA-N -1 1 367.496 2.326 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](CC)CSC)CC2)n1 ZINC000279098916 550853987 /nfs/dbraw/zinc/85/39/87/550853987.db2.gz SAHZUNWYJCEUFW-GFCCVEGCSA-N -1 1 369.491 2.012 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(CO)CC3(CCC3)C2)c(=O)[n-]1 ZINC000279197214 550863877 /nfs/dbraw/zinc/86/38/77/550863877.db2.gz VAGSJSVFAZHCCC-UHFFFAOYSA-N -1 1 365.499 2.204 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1C[C@@H](C)O ZINC000279612369 550908375 /nfs/dbraw/zinc/90/83/75/550908375.db2.gz HEYKDHYREWQALY-CZUORRHYSA-N -1 1 370.453 2.247 20 0 FEADMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280520800 551003154 /nfs/dbraw/zinc/00/31/54/551003154.db2.gz FTBOHGTVBXDJSG-UHFFFAOYSA-N -1 1 357.234 2.183 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280599909 551012023 /nfs/dbraw/zinc/01/20/23/551012023.db2.gz CEQHBOLAQMKBCF-MOPGFXCFSA-N -1 1 356.397 2.257 20 0 FEADMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1=O ZINC000280638137 551016163 /nfs/dbraw/zinc/01/61/63/551016163.db2.gz UQURFDHOMXXQGB-NSHDSACASA-N -1 1 369.245 2.420 20 0 FEADMM CCOCCN1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000280909256 551044693 /nfs/dbraw/zinc/04/46/93/551044693.db2.gz FMPBWNKCSFNETK-UHFFFAOYSA-N -1 1 366.845 2.306 20 0 FEADMM CSc1ccc(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000281452630 551099374 /nfs/dbraw/zinc/09/93/74/551099374.db2.gz ORHMDFZEPZABKK-UHFFFAOYSA-N -1 1 370.478 2.263 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000496885038 561496304 /nfs/dbraw/zinc/49/63/04/561496304.db2.gz WATSOCNZKPWZEV-GFCCVEGCSA-N -1 1 368.842 2.471 20 0 FEADMM C[C@]1(C(=O)[N-]OC[C@@H]2CCOC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000281945127 551160924 /nfs/dbraw/zinc/16/09/24/551160924.db2.gz SHBBXENFMGDUFO-APWZRJJASA-N -1 1 362.426 2.120 20 0 FEADMM CCn1c(=O)c2c3c(sc2nc1SCc1nn[n-]n1)C[C@@H](C)CC3 ZINC000497354124 561499130 /nfs/dbraw/zinc/49/91/30/561499130.db2.gz BGGOEPTZFNRKLJ-QMMMGPOBSA-N -1 1 362.484 2.408 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000282537570 551243835 /nfs/dbraw/zinc/24/38/35/551243835.db2.gz CPZKVFQFRJGYSO-UHFFFAOYSA-N -1 1 352.387 2.421 20 0 FEADMM CCOc1ncccc1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000497584593 561504270 /nfs/dbraw/zinc/50/42/70/561504270.db2.gz HSNMNRYVDAZXEX-UHFFFAOYSA-N -1 1 365.411 2.113 20 0 FEADMM CC(C)n1cnnc1C1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1 ZINC000282821890 551274205 /nfs/dbraw/zinc/27/42/05/551274205.db2.gz RVHMSMWZWGXNRD-UHFFFAOYSA-N -1 1 357.393 2.289 20 0 FEADMM CCOc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282901352 551283790 /nfs/dbraw/zinc/28/37/90/551283790.db2.gz LPPVHIVDXSGOQR-SNVBAGLBSA-N -1 1 350.806 2.170 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCCNC(=O)OC(C)(C)C)c1 ZINC000282914604 551284681 /nfs/dbraw/zinc/28/46/81/551284681.db2.gz XZRUJMZPLVDRPT-UHFFFAOYSA-N -1 1 352.387 2.422 20 0 FEADMM CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282970738 551291420 /nfs/dbraw/zinc/29/14/20/551291420.db2.gz SEUXXRLVKOLVNY-AAEUAGOBSA-N -1 1 364.833 2.315 20 0 FEADMM CC(C)Oc1ccc([C@H](O)CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000283748040 551420994 /nfs/dbraw/zinc/42/09/94/551420994.db2.gz NYPFGRAJOIMQSZ-OAHLLOKOSA-N -1 1 372.450 2.269 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)c(C)c2)cc1 ZINC000498492465 561525807 /nfs/dbraw/zinc/52/58/07/561525807.db2.gz YTKSWMZEVYJKQY-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000285118352 551707512 /nfs/dbraw/zinc/70/75/12/551707512.db2.gz NBVFRXNJCQDKKP-AWEZNQCLSA-N -1 1 361.427 2.257 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cn1 ZINC000285236245 551724859 /nfs/dbraw/zinc/72/48/59/551724859.db2.gz VSIPLQDUXHHSOY-UHFFFAOYSA-N -1 1 363.439 2.036 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000285283945 551731789 /nfs/dbraw/zinc/73/17/89/551731789.db2.gz ZKIXPBVNOPXZHO-UHFFFAOYSA-N -1 1 352.485 2.083 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000286476684 551890188 /nfs/dbraw/zinc/89/01/88/551890188.db2.gz VYKCNDSUIWGPEV-UHFFFAOYSA-N -1 1 355.442 2.451 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC(F)(F)Br)c(=O)[n-]1 ZINC000286663168 551911906 /nfs/dbraw/zinc/91/19/06/551911906.db2.gz JFUMMSYANSCMGY-UHFFFAOYSA-N -1 1 370.219 2.249 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1 ZINC000286822146 551929782 /nfs/dbraw/zinc/92/97/82/551929782.db2.gz RRDDQWVHSFTPKQ-MLGOLLRUSA-N -1 1 359.382 2.019 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1nnc2n1CCC2 ZINC000286856156 551933844 /nfs/dbraw/zinc/93/38/44/551933844.db2.gz LIIHMFPCAMOHMV-ZETCQYMHSA-N -1 1 362.789 2.195 20 0 FEADMM COC(=O)Nc1cccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000286863936 551934425 /nfs/dbraw/zinc/93/44/25/551934425.db2.gz NCKHTLGRSAALML-UHFFFAOYSA-N -1 1 362.411 2.321 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@@H](COc4ccccc4)C3)ccnc1-2 ZINC000287028742 551953736 /nfs/dbraw/zinc/95/37/36/551953736.db2.gz CNXPZNABMNNKMG-CHOFAJOMSA-N -1 1 351.410 2.275 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@H](c4cccc(F)c4)C3)ccnc1-2 ZINC000287111667 551964820 /nfs/dbraw/zinc/96/48/20/551964820.db2.gz JYKRFUJQWXYEIF-AABCQZNVSA-N -1 1 355.373 2.086 20 0 FEADMM COCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000499268854 561547288 /nfs/dbraw/zinc/54/72/88/561547288.db2.gz CWIVDLKICQWNII-UHFFFAOYSA-N -1 1 369.464 2.216 20 0 FEADMM CN(C[C@H]1OCCc2ccccc21)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287702355 552036003 /nfs/dbraw/zinc/03/60/03/552036003.db2.gz RONBBARCUJLYGC-VULIGXMUSA-N -1 1 351.410 2.120 20 0 FEADMM CCC[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)[C@H](O)c1ccccc1 ZINC000287774313 552044789 /nfs/dbraw/zinc/04/47/89/552044789.db2.gz WGYAFHVTPHRGSU-DGTBBDEFSA-N -1 1 353.426 2.366 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2cccnc2C(F)(F)F)n[nH]1 ZINC000287779873 552045723 /nfs/dbraw/zinc/04/57/23/552045723.db2.gz KKPYTWAOMYMBRA-QMMMGPOBSA-N -1 1 363.365 2.381 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C(=O)NCC3CCC(C(C)(C)C)CC3)ccnc1-2 ZINC000288765445 552208220 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CC(C)Oc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000290298388 552456055 /nfs/dbraw/zinc/45/60/55/552456055.db2.gz FVXWTQGZISBLRO-LBPRGKRZSA-N -1 1 373.375 2.400 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(OC)c1 ZINC000290326181 552460744 /nfs/dbraw/zinc/46/07/44/552460744.db2.gz IYSDEZOYHLLJLS-NSHDSACASA-N -1 1 374.359 2.235 20 0 FEADMM C[C@H]1CCN(C(=O)c2cn3ccccc3n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290466090 552483538 /nfs/dbraw/zinc/48/35/38/552483538.db2.gz LPGDVVJPLFELPU-MJVIPROJSA-N -1 1 368.359 2.252 20 0 FEADMM CCCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1ccc(C)cc1 ZINC000290480612 552485764 /nfs/dbraw/zinc/48/57/64/552485764.db2.gz HXHWWBJWPOOYTO-UHFFFAOYSA-N -1 1 365.455 2.438 20 0 FEADMM CCCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1ccccc1C ZINC000290517368 552491725 /nfs/dbraw/zinc/49/17/25/552491725.db2.gz MKIAVFQRWBAGLZ-UHFFFAOYSA-N -1 1 365.455 2.438 20 0 FEADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000290906602 552559367 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CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000293505389 552830561 /nfs/dbraw/zinc/83/05/61/552830561.db2.gz NVWWPYAUOKWELC-IUCAKERBSA-N -1 1 357.423 2.391 20 0 FEADMM Cc1cncc(/C=C/C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000293938630 552869533 /nfs/dbraw/zinc/86/95/33/552869533.db2.gz RBCQAUXFOGVOIF-HGIUVPSYSA-N -1 1 355.360 2.461 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c(C(F)(F)F)n1 ZINC000293957525 552870915 /nfs/dbraw/zinc/87/09/15/552870915.db2.gz HABZZKZIJZBDIJ-GFCCVEGCSA-N -1 1 359.373 2.275 20 0 FEADMM COC[C@H]1CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000294269744 552892834 /nfs/dbraw/zinc/89/28/34/552892834.db2.gz IIJMDRGSUWJLML-MRXNPFEDSA-N -1 1 360.435 2.348 20 0 FEADMM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1sccc1Br ZINC000294727730 552929812 /nfs/dbraw/zinc/92/98/12/552929812.db2.gz WBMVPOPMFXORLV-LDYMZIIASA-N -1 1 354.291 2.340 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C3CC3)on2)s1 ZINC000294455638 552907479 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C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000295681787 553044172 /nfs/dbraw/zinc/04/41/72/553044172.db2.gz IELYGHNWDHOLJQ-QMMMGPOBSA-N -1 1 371.684 2.327 20 0 FEADMM CCC1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000295857613 553068678 /nfs/dbraw/zinc/06/86/78/553068678.db2.gz KKBWXFHHVBVMTA-UHFFFAOYSA-N -1 1 351.255 2.331 20 0 FEADMM CC[C@@H](C)[C@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)OC ZINC000295931781 553077382 /nfs/dbraw/zinc/07/73/82/553077382.db2.gz HBXHGAKNDUIROP-WBMJQRKESA-N -1 1 358.442 2.272 20 0 FEADMM CCn1cc([C@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000296795507 553212683 /nfs/dbraw/zinc/21/26/83/553212683.db2.gz BUQWWUUICYAEAR-NSHDSACASA-N -1 1 356.430 2.078 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2cccc3nonc32)C1)C(F)(F)F ZINC000296796344 553212872 /nfs/dbraw/zinc/21/28/72/553212872.db2.gz QMZQWGMBNXTOQK-VIFPVBQESA-N -1 1 371.319 2.145 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@@](C)(F)C2)cc1[N-]S(C)(=O)=O ZINC000296985201 553238709 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/nfs/dbraw/zinc/76/73/91/561767391.db2.gz BKNCDCUXVKVJQT-UHFFFAOYSA-N -1 1 373.818 2.198 20 0 FEADMM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CNC(=O)c2ncccc2[O-])o1 ZINC000508394420 561761138 /nfs/dbraw/zinc/76/11/38/561761138.db2.gz LYBVMEJVQICQEL-OCCSQVGLSA-N -1 1 357.410 2.418 20 0 FEADMM CC[C@H]1[C@H](C)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331069184 554208910 /nfs/dbraw/zinc/20/89/10/554208910.db2.gz RDXZQWURGPSEFC-MFKMUULPSA-N -1 1 364.464 2.006 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@@H]1N1CCOCC1 ZINC000331283866 554241262 /nfs/dbraw/zinc/24/12/62/554241262.db2.gz RZJHTABEAGTXNT-DOMZBBRYSA-N -1 1 368.861 2.237 20 0 FEADMM CCNC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000509177629 561788560 /nfs/dbraw/zinc/78/85/60/561788560.db2.gz HKRJDAPVWUHAFP-UHFFFAOYSA-N -1 1 351.403 2.446 20 0 FEADMM COc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)cc(Cl)c1[O-] ZINC000331883984 554338041 /nfs/dbraw/zinc/33/80/41/554338041.db2.gz WQTZPTAPEYEGKU-PWSUYJOCSA-N -1 1 367.789 2.348 20 0 FEADMM CCc1oncc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000509389540 561797341 /nfs/dbraw/zinc/79/73/41/561797341.db2.gz DOTMIPIYZXRVGS-UHFFFAOYSA-N -1 1 360.775 2.398 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc(Cl)c1[O-] ZINC000331972197 554355490 /nfs/dbraw/zinc/35/54/90/554355490.db2.gz WSOGPDMOEMGVAE-YUTCNCBUSA-N -1 1 355.818 2.056 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)o1 ZINC000332020500 554365022 /nfs/dbraw/zinc/36/50/22/554365022.db2.gz SHOVVXUJOGEPSA-MNOVXSKESA-N -1 1 366.414 2.475 20 0 FEADMM Cc1cnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c([O-])c1 ZINC000332063296 554372385 /nfs/dbraw/zinc/37/23/85/554372385.db2.gz QLUHDGYAKMREFP-ZIAGYGMSSA-N -1 1 356.426 2.034 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332129128 554386495 /nfs/dbraw/zinc/38/64/95/554386495.db2.gz DNAAXQKPVBTFIA-SECBINFHSA-N -1 1 355.753 2.353 20 0 FEADMM CO[C@H](C)c1nc(=NC[C@@H](C)N2CCN(c3ccccc3)CC2)s[n-]1 ZINC000509700125 561810670 /nfs/dbraw/zinc/81/06/70/561810670.db2.gz QLVAVQZNWWNLJU-HUUCEWRRSA-N -1 1 361.515 2.290 20 0 FEADMM CO[C@H](C)c1nsc(=NC[C@@H](C)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000509700125 561810671 /nfs/dbraw/zinc/81/06/71/561810671.db2.gz QLVAVQZNWWNLJU-HUUCEWRRSA-N -1 1 361.515 2.290 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[C@@H](C)O ZINC000509716562 561811441 /nfs/dbraw/zinc/81/14/41/561811441.db2.gz AZEQRLWKGSAHMC-MRVPVSSYSA-N -1 1 370.254 2.219 20 0 FEADMM COc1cc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc(Cl)c1[O-] ZINC000332370387 554433689 /nfs/dbraw/zinc/43/36/89/554433689.db2.gz ANUHIOPLZJCJGR-UHFFFAOYSA-N -1 1 367.833 2.074 20 0 FEADMM COc1ccc(NC(=O)N2CCS[C@@H](C)CC2)cc1[N-]S(C)(=O)=O ZINC000332384707 554436226 /nfs/dbraw/zinc/43/62/26/554436226.db2.gz YPFAIGKSUOHKCN-NSHDSACASA-N -1 1 373.500 2.426 20 0 FEADMM CC(C)NC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000332391376 554437738 /nfs/dbraw/zinc/43/77/38/554437738.db2.gz ZPZJBQFMSLNSCL-CYBMUJFWSA-N -1 1 373.413 2.325 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000509979833 561820566 /nfs/dbraw/zinc/82/05/66/561820566.db2.gz SNTUUOLTMFCVIU-JTQLQIEISA-N -1 1 367.327 2.413 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000510031117 561822662 /nfs/dbraw/zinc/82/26/62/561822662.db2.gz SOWJBZITBRHBLL-UHFFFAOYSA-N -1 1 361.308 2.303 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000332592167 554478628 /nfs/dbraw/zinc/47/86/28/554478628.db2.gz ATULRWOOPHANNO-UHFFFAOYSA-N -1 1 369.425 2.482 20 0 FEADMM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000333125886 554576129 /nfs/dbraw/zinc/57/61/29/554576129.db2.gz HXHXJRWAIOCMIN-HIFRSBDPSA-N -1 1 368.437 2.234 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000333225356 554591352 /nfs/dbraw/zinc/59/13/52/554591352.db2.gz FQMGKWREIQJMCM-UHFFFAOYSA-N -1 1 374.462 2.232 20 0 FEADMM C[C@H](N=c1ccc(N2CC[C@H](C)S(=O)(=O)CC2)n[n-]1)c1ccccc1 ZINC000333388278 554608524 /nfs/dbraw/zinc/60/85/24/554608524.db2.gz CMFAEHDMMYPZCX-GJZGRUSLSA-N -1 1 360.483 2.663 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)n[n-]1)c1ccccc1 ZINC000333499887 554618981 /nfs/dbraw/zinc/61/89/81/554618981.db2.gz RZGOKSWLRLIZTD-KANFNMMFSA-N -1 1 368.481 3.016 20 0 FEADMM Fc1ccccc1CN=c1ccc(N2CCOCC3(CCOCC3)C2)n[n-]1 ZINC000333618028 554627853 /nfs/dbraw/zinc/62/78/53/554627853.db2.gz YZZYTIYYVOYVNM-UHFFFAOYSA-N -1 1 372.444 2.861 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1Br ZINC000611774821 554679244 /nfs/dbraw/zinc/67/92/44/554679244.db2.gz UPWMSCLHVAWGMN-IQJOONFLSA-N -1 1 369.263 2.368 20 0 FEADMM O=C1NC2(CC2)C(=O)N1Cc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000348791041 554699462 /nfs/dbraw/zinc/69/94/62/554699462.db2.gz YAXBGJRPEVSKCI-UHFFFAOYSA-N -1 1 371.418 2.072 20 0 FEADMM CC[C@@H]1CCCC[C@@H]1c1noc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000349729977 554739765 /nfs/dbraw/zinc/73/97/65/554739765.db2.gz HPHWWKDGOJDZRY-OLZOCXBDSA-N -1 1 367.475 2.274 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1C(N)=O ZINC000511130539 561858591 /nfs/dbraw/zinc/85/85/91/561858591.db2.gz JWIQAYCVEZCCRS-UHFFFAOYSA-N -1 1 372.349 2.196 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)cc1C(=O)[O-] ZINC000511196424 561860812 /nfs/dbraw/zinc/86/08/12/561860812.db2.gz ARBRZBRCFVHHCV-UHFFFAOYSA-N -1 1 364.408 2.043 20 0 FEADMM NS(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(F)c1 ZINC000350608043 554802308 /nfs/dbraw/zinc/80/23/08/554802308.db2.gz JCGNYSZJHINVNJ-UHFFFAOYSA-N -1 1 353.306 2.035 20 0 FEADMM COc1cc(-c2noc(CCn3cncn3)n2)cc(Br)c1[O-] ZINC000350773356 554812339 /nfs/dbraw/zinc/81/23/39/554812339.db2.gz MVDCRPCPERGEGD-UHFFFAOYSA-N -1 1 366.175 2.048 20 0 FEADMM NC(=O)[C@H]1CC(c2nc(-c3ccc([O-])c(F)c3)no2)=NN1c1ccccc1 ZINC000350822681 554816290 /nfs/dbraw/zinc/81/62/90/554816290.db2.gz HKPPHGOCYMUBAF-CQSZACIVSA-N -1 1 367.340 2.050 20 0 FEADMM CS(=O)(=O)c1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2ccccn21 ZINC000350832272 554816695 /nfs/dbraw/zinc/81/66/95/554816695.db2.gz FGVYZSJJCXFYAX-UHFFFAOYSA-N -1 1 374.353 2.300 20 0 FEADMM O=c1[nH]n(CCc2nc(-c3ccc([O-])cc3F)no2)c(=O)c2ccccc12 ZINC000350840564 554817156 /nfs/dbraw/zinc/81/71/56/554817156.db2.gz MMVSSCANYRSQHD-UHFFFAOYSA-N -1 1 368.324 2.240 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3nccc4ccccc43)no2)o1 ZINC000350846893 554818046 /nfs/dbraw/zinc/81/80/46/554818046.db2.gz BUDFKFHRIXEOLJ-UHFFFAOYSA-N -1 1 370.390 2.377 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(-c2nc[nH]n2)c1 ZINC000362668040 554979244 /nfs/dbraw/zinc/97/92/44/554979244.db2.gz PVUSTKZLVDYXLH-UHFFFAOYSA-N -1 1 364.408 2.341 20 0 FEADMM Cc1ncc(CN2CC[C@H](NC(=O)N=c3[n-]nc(C)s3)[C@H](C)C2)s1 ZINC000363248319 555063028 /nfs/dbraw/zinc/06/30/28/555063028.db2.gz DVPUMQBEEHVMBB-RNCFNFMXSA-N -1 1 366.516 2.644 20 0 FEADMM C[N@H+]1CCC[C@@H](CN=c2ccc(C(N)=O)n[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000363305839 555074998 /nfs/dbraw/zinc/07/49/98/555074998.db2.gz DUBSMFZQSQXGKX-SUMWQHHRSA-N -1 1 359.861 2.724 20 0 FEADMM Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 ZINC000363440547 555106292 /nfs/dbraw/zinc/10/62/92/555106292.db2.gz AODGWBZXCAYBIJ-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM Cc1nc(CN2CCC[C@@H](NC(=O)c3cc(Cl)ccc3[O-])C2)no1 ZINC000363528039 555129223 /nfs/dbraw/zinc/12/92/23/555129223.db2.gz OELRYCDQAFDKDU-GFCCVEGCSA-N -1 1 350.806 2.131 20 0 FEADMM COC(=O)c1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1Cl ZINC000512107276 561892626 /nfs/dbraw/zinc/89/26/26/561892626.db2.gz CDRHDBLPGBEZJT-UHFFFAOYSA-N -1 1 360.757 2.366 20 0 FEADMM CCOC(=O)Cc1cccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000512084615 561891530 /nfs/dbraw/zinc/89/15/30/561891530.db2.gz UFYHBNZNOULDCG-UHFFFAOYSA-N -1 1 354.366 2.032 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)c1Br ZINC000616005785 555262769 /nfs/dbraw/zinc/26/27/69/555262769.db2.gz AGKUWNUPAZCKFU-VIFPVBQESA-N -1 1 358.240 2.002 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)c1Br ZINC000616009599 555263095 /nfs/dbraw/zinc/26/30/95/555263095.db2.gz WNMMAQOMSVHMMT-CABZTGNLSA-N -1 1 368.235 2.239 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1)c1nc(-c2cccnc2)no1 ZINC000364454505 555317078 /nfs/dbraw/zinc/31/70/78/555317078.db2.gz NUOPNBOBVLUTMJ-CQSZACIVSA-N -1 1 359.411 2.202 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000616826380 555343432 /nfs/dbraw/zinc/34/34/32/555343432.db2.gz MMBBSWCYGPDWSM-AWEZNQCLSA-N -1 1 364.427 2.275 20 0 FEADMM Cc1nc2n(c1CN1CCN(C(=O)c3ccc([O-])cc3F)CC1)CCCC2 ZINC000364694128 555376973 /nfs/dbraw/zinc/37/69/73/555376973.db2.gz FUHVDJHMWTUZAW-UHFFFAOYSA-N -1 1 372.444 2.331 20 0 FEADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364744599 555391651 /nfs/dbraw/zinc/39/16/51/555391651.db2.gz FHTASXYWDJDQRV-KDOFPFPSSA-N -1 1 361.438 2.398 20 0 FEADMM COC[C@@H]1CCCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000364866266 555419580 /nfs/dbraw/zinc/41/95/80/555419580.db2.gz WPSWAOMYDAWXHQ-OAHLLOKOSA-N -1 1 370.453 2.370 20 0 FEADMM Cc1nnsc1C(=O)[N-]c1n[nH]c(-c2cccc(OC(F)F)c2)n1 ZINC000365097117 555484559 /nfs/dbraw/zinc/48/45/59/555484559.db2.gz DSXKKROIICZSOZ-UHFFFAOYSA-N -1 1 352.326 2.485 20 0 FEADMM CN1C(=O)CC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@@H]1c1cccs1 ZINC000365417420 555569842 /nfs/dbraw/zinc/56/98/42/555569842.db2.gz AYHYUDQUNBRHIQ-OIBJUYFYSA-N -1 1 373.360 2.433 20 0 FEADMM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000365661508 555634790 /nfs/dbraw/zinc/63/47/90/555634790.db2.gz HDLYVSGQFQWIIO-LLVKDONJSA-N -1 1 372.853 2.160 20 0 FEADMM O=C(CN1CCC(O)(Cc2ccccc2F)CC1)[N-]OCc1ccccc1 ZINC000365839652 555679931 /nfs/dbraw/zinc/67/99/31/555679931.db2.gz SIVSRSXFCYOCJR-UHFFFAOYSA-N -1 1 372.440 2.443 20 0 FEADMM CC(C)(C)C[C@H](O)CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000365888270 555692921 /nfs/dbraw/zinc/69/29/21/555692921.db2.gz ATWRPUYNONOMOC-YGRLFVJLSA-N -1 1 369.828 2.385 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)c1 ZINC000513798482 561950345 /nfs/dbraw/zinc/95/03/45/561950345.db2.gz AIDYURGGTVUPCZ-UHFFFAOYSA-N -1 1 365.407 2.476 20 0 FEADMM NC(=O)NCCCCC(=O)N=c1cc(-c2cc3ccccc3s2)[n-][nH]1 ZINC000366155251 555767397 /nfs/dbraw/zinc/76/73/97/555767397.db2.gz GLMSWCARLPIKRG-UHFFFAOYSA-N -1 1 357.439 3.069 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)Oc2ccccc2)c1 ZINC000513797121 561950255 /nfs/dbraw/zinc/95/02/55/561950255.db2.gz GEQGQNIAOCEZFN-UHFFFAOYSA-N -1 1 353.396 2.202 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000513849989 561952572 /nfs/dbraw/zinc/95/25/72/561952572.db2.gz KTOPROZZYOIROY-GLKRBJQHSA-N -1 1 365.407 2.298 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CO)CC1CCCC1 ZINC000513937643 561955534 /nfs/dbraw/zinc/95/55/34/561955534.db2.gz JSBRXGZMUVUDAB-OAHLLOKOSA-N -1 1 360.458 2.042 20 0 FEADMM CCOC(=O)NCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366710593 555915178 /nfs/dbraw/zinc/91/51/78/555915178.db2.gz SBXSLUNNXYVTFL-UHFFFAOYSA-N -1 1 362.426 2.340 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2cccs2)co1 ZINC000366737042 555921744 /nfs/dbraw/zinc/92/17/44/555921744.db2.gz CBZISRDTFVENGN-LLVKDONJSA-N -1 1 372.493 2.180 20 0 FEADMM Cn1ccnc1-c1nnc([N-]C(=O)c2cc(F)cc3nccnc32)s1 ZINC000366829122 555945602 /nfs/dbraw/zinc/94/56/02/555945602.db2.gz BQMVHOVJNRIUNT-UHFFFAOYSA-N -1 1 355.358 2.273 20 0 FEADMM O=C(OC[C@@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1)N1CCCC1 ZINC000367347198 556024313 /nfs/dbraw/zinc/02/43/13/556024313.db2.gz LPXKWDMZVFZIFU-AWEZNQCLSA-N -1 1 357.414 2.185 20 0 FEADMM O=C([C@@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12)N1CCSCC1 ZINC000367610333 556096570 /nfs/dbraw/zinc/09/65/70/556096570.db2.gz PPMBKXKPTBHICZ-INIZCTEOSA-N -1 1 374.462 2.038 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CC1(Cl)Cl ZINC000368504077 556329279 /nfs/dbraw/zinc/32/92/79/556329279.db2.gz SWIXNDBYQMHROJ-IMTBSYHQSA-N -1 1 364.595 2.392 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1C[C@@H](O)C2(CC2)C1 ZINC000368785698 556412689 /nfs/dbraw/zinc/41/26/89/556412689.db2.gz CMMCXEJEBVCQQG-QGZVFWFLSA-N -1 1 372.446 2.084 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000515584310 562015845 /nfs/dbraw/zinc/01/58/45/562015845.db2.gz MAFAUHRMTSZVTI-UHFFFAOYSA-N -1 1 363.439 2.352 20 0 FEADMM C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC000368904932 556443878 /nfs/dbraw/zinc/44/38/78/556443878.db2.gz MLWYCOOYBAOKGD-CQSZACIVSA-N -1 1 371.403 2.176 20 0 FEADMM CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000515628526 562017582 /nfs/dbraw/zinc/01/75/82/562017582.db2.gz GLEURMRMAFBRLF-UHFFFAOYSA-N -1 1 365.411 2.263 20 0 FEADMM CNC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000515698975 562019653 /nfs/dbraw/zinc/01/96/53/562019653.db2.gz HODBQKXWUHJFFN-UHFFFAOYSA-N -1 1 374.827 2.260 20 0 FEADMM COc1ccc(NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)cn1 ZINC000516474334 562043987 /nfs/dbraw/zinc/04/39/87/562043987.db2.gz NEIZOEWHWFDYFF-UHFFFAOYSA-N -1 1 366.399 2.114 20 0 FEADMM CC[C@@H](C)[C@H](O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370595565 556917735 /nfs/dbraw/zinc/91/77/35/556917735.db2.gz WZEDMEFVADYGTO-MLGOLLRUSA-N -1 1 358.442 2.008 20 0 FEADMM COc1cc2c(c(OC)c1OC)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000370803734 556973112 /nfs/dbraw/zinc/97/31/12/556973112.db2.gz TWJPALWSZXFFFL-UHFFFAOYSA-N -1 1 358.394 2.054 20 0 FEADMM O=C(C=Cc1cc(Cl)ccc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370849193 556989724 /nfs/dbraw/zinc/98/97/24/556989724.db2.gz COXGHFYNCCHHKI-YJEWXARHSA-N -1 1 354.197 2.120 20 0 FEADMM O=C(C1c2ccccc2Oc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370855170 556991784 /nfs/dbraw/zinc/99/17/84/556991784.db2.gz IGTDTBJTMIGYFU-INIZCTEOSA-N -1 1 363.377 2.037 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370855060 556991831 /nfs/dbraw/zinc/99/18/31/556991831.db2.gz HTDZSDOEDARIBT-HOSYDEDBSA-N -1 1 368.224 2.210 20 0 FEADMM O=C(C=Cc1ccc2ccc(Cl)cc2n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370866933 556995789 /nfs/dbraw/zinc/99/57/89/556995789.db2.gz IPKQYNBFBMGYJF-NFAHFFEMSA-N -1 1 370.800 2.015 20 0 FEADMM O=C(c1ccc(Oc2ccccc2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370891428 557005226 /nfs/dbraw/zinc/00/52/26/557005226.db2.gz JSIYLBVQUQQQJQ-MRXNPFEDSA-N -1 1 351.366 2.206 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(=O)[nH]1 ZINC000371089576 557072416 /nfs/dbraw/zinc/07/24/16/557072416.db2.gz UKZLPVFWEPDSSZ-INIZCTEOSA-N -1 1 372.494 2.448 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)cc1 ZINC000371508873 557205075 /nfs/dbraw/zinc/20/50/75/557205075.db2.gz APJFLQICCFGXBE-UHFFFAOYSA-N -1 1 359.363 2.324 20 0 FEADMM CC(=O)c1sc2[n-]c(Cn3nnc(-c4ccccc4)n3)nc(=O)c2c1C ZINC000518123911 562104870 /nfs/dbraw/zinc/10/48/70/562104870.db2.gz POFLRCDVMPDBBP-UHFFFAOYSA-N -1 1 366.406 2.197 20 0 FEADMM CO[C@@H](C)c1noc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1 ZINC000518161771 562105477 /nfs/dbraw/zinc/10/54/77/562105477.db2.gz ZVBYHEIKMZKYFE-VIFPVBQESA-N -1 1 366.374 2.280 20 0 FEADMM CO[C@@H](C)c1noc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1 ZINC000518161771 562105478 /nfs/dbraw/zinc/10/54/78/562105478.db2.gz ZVBYHEIKMZKYFE-VIFPVBQESA-N -1 1 366.374 2.280 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000517925544 562100671 /nfs/dbraw/zinc/10/06/71/562100671.db2.gz UOYLKBKDYXUNIU-UHFFFAOYSA-N -1 1 368.392 2.000 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000371715125 557272762 /nfs/dbraw/zinc/27/27/62/557272762.db2.gz NNGZVBBFVAJVQA-UHFFFAOYSA-N -1 1 358.423 2.461 20 0 FEADMM Cc1ncc(CN(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000518279802 562107668 /nfs/dbraw/zinc/10/76/68/562107668.db2.gz UCEYYPYIPAZOID-UHFFFAOYSA-N -1 1 369.450 2.106 20 0 FEADMM COCCc1nc(=N[C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)s[n-]1 ZINC000371862604 557314120 /nfs/dbraw/zinc/31/41/20/557314120.db2.gz FXBFNQWRZQHKSG-FZMZJTMJSA-N -1 1 367.544 2.236 20 0 FEADMM CCCn1nc2c(cc1=O)CN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000371932676 557332725 /nfs/dbraw/zinc/33/27/25/557332725.db2.gz VEEIHHXLRVCKFX-UHFFFAOYSA-N -1 1 364.405 2.106 20 0 FEADMM CC(C)N1N=C(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)CCC1=O ZINC000372001351 557353424 /nfs/dbraw/zinc/35/34/24/557353424.db2.gz MNRBJZATYRPANZ-UHFFFAOYSA-N -1 1 361.352 2.680 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000372228970 557415919 /nfs/dbraw/zinc/41/59/19/557415919.db2.gz RUGLHGNKDCGREB-OQPBUACISA-N -1 1 355.343 2.006 20 0 FEADMM O=C(NCc1cccc(=O)[nH]1)c1cc(I)ccc1[O-] ZINC000519550457 562134416 /nfs/dbraw/zinc/13/44/16/562134416.db2.gz DCNFWTPJEPMPTR-UHFFFAOYSA-N -1 1 370.146 2.027 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2COc3ccccc32)o1 ZINC000372877377 557580901 /nfs/dbraw/zinc/58/09/01/557580901.db2.gz CQSMYVAORMEKLW-YPMHNXCESA-N -1 1 365.407 2.299 20 0 FEADMM Cc1c([C@H]2[C@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC(=O)N2C)cnn1C ZINC000373065273 557620199 /nfs/dbraw/zinc/62/01/99/557620199.db2.gz FRSPMAWAJXPHIF-BDJLRTHQSA-N -1 1 362.817 2.246 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cnn(C(C)C)c32)o1 ZINC000373409088 557688766 /nfs/dbraw/zinc/68/87/66/557688766.db2.gz REKZFJSSWKJUFB-LBPRGKRZSA-N -1 1 367.427 2.200 20 0 FEADMM C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1ncccc1[O-] ZINC000373517091 557709705 /nfs/dbraw/zinc/70/97/05/557709705.db2.gz SLJNTSXPTBRGRE-YJBOKZPZSA-N -1 1 355.438 2.149 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(C)C)o1 ZINC000520778106 562163519 /nfs/dbraw/zinc/16/35/19/562163519.db2.gz YDJFVSQAFHXHFY-UHFFFAOYSA-N -1 1 353.396 2.332 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H](Nc2ncccn2)C1 ZINC000520817346 562164376 /nfs/dbraw/zinc/16/43/76/562164376.db2.gz XJWXZDCZUIDEHZ-LLVKDONJSA-N -1 1 363.215 2.271 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000374198890 557842433 /nfs/dbraw/zinc/84/24/33/557842433.db2.gz LSACRZYEYMGTFO-HUUCEWRRSA-N -1 1 358.442 2.153 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(c3ccc(F)cc3)C2)o1 ZINC000374203159 557842894 /nfs/dbraw/zinc/84/28/94/557842894.db2.gz CDAIXIZYAFBAAY-MRXNPFEDSA-N -1 1 370.377 2.038 20 0 FEADMM COC(=O)[C@]1(C)CN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C[C@H]1C ZINC000374452608 557886037 /nfs/dbraw/zinc/88/60/37/557886037.db2.gz YYPHAKSFBQXCOJ-NSPYISDASA-N -1 1 356.426 2.496 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)o1 ZINC000374458542 557886560 /nfs/dbraw/zinc/88/65/60/557886560.db2.gz LHABIWIGOWNYRD-CYBMUJFWSA-N -1 1 357.428 2.084 20 0 FEADMM Cc1ccc(C2=NO[C@H](CNC(=O)c3nc4ccccc4c(=O)[n-]3)C2)cc1 ZINC000374465981 557887638 /nfs/dbraw/zinc/88/76/38/557887638.db2.gz VIXNZPUAYYZMHV-AWEZNQCLSA-N -1 1 362.389 2.155 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000374478040 557889456 /nfs/dbraw/zinc/88/94/56/557889456.db2.gz ILPLGTAJHYFRBT-LBPRGKRZSA-N -1 1 358.325 2.382 20 0 FEADMM O=S(=O)([N-][C@H](c1nnc[nH]1)c1ccccc1)c1c(F)cc(F)cc1F ZINC000375355276 558014564 /nfs/dbraw/zinc/01/45/64/558014564.db2.gz JJOXGWHXKTUUAN-ZDUSSCGKSA-N -1 1 368.340 2.290 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)N[C@@H](CO)CO2 ZINC000375895566 558095671 /nfs/dbraw/zinc/09/56/71/558095671.db2.gz NZGXIICQLXYSEK-LBPRGKRZSA-N -1 1 372.425 2.206 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@@H]2C)o1 ZINC000376327990 558158711 /nfs/dbraw/zinc/15/87/11/558158711.db2.gz OIACQQXNXRLNGY-XLKFXECMSA-N -1 1 355.343 2.006 20 0 FEADMM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000521680737 562182000 /nfs/dbraw/zinc/18/20/00/562182000.db2.gz DPISTBIWHGITMY-HDJSIYSDSA-N -1 1 363.421 2.471 20 0 FEADMM Cc1nc([C@H]2CCCCCN2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)no1 ZINC000376630556 558200256 /nfs/dbraw/zinc/20/02/56/558200256.db2.gz RSIHHNJTFWFZSF-SFDYMUJDSA-N -1 1 355.402 2.182 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@@H](Oc4cccc(F)c4)C3)ccnc1-2 ZINC000376631068 558200264 /nfs/dbraw/zinc/20/02/64/558200264.db2.gz UFWSTDJMARPRMW-AWMROSOHSA-N -1 1 355.373 2.166 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCO1 ZINC000376634096 558200886 /nfs/dbraw/zinc/20/08/86/558200886.db2.gz YJHBLFNFRVRSLS-VULIGXMUSA-N -1 1 351.410 2.256 20 0 FEADMM Cc1ccc([C@@H]2CCCN2C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)s1 ZINC000376685178 558208383 /nfs/dbraw/zinc/20/83/83/558208383.db2.gz DONWHJDATAVKBO-DTHVTWRFSA-N -1 1 369.450 2.014 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000377244739 558297786 /nfs/dbraw/zinc/29/77/86/558297786.db2.gz XXNBEGUWOAXZPD-WBVHZDCISA-N -1 1 374.485 2.051 20 0 FEADMM O=C(CSc1nncs1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000377310750 558312454 /nfs/dbraw/zinc/31/24/54/558312454.db2.gz WMZSIGYQNXZSKM-UHFFFAOYSA-N -1 1 363.464 2.457 20 0 FEADMM Cc1nc(-c2ccccc2NS(=O)(=O)c2cccc(CC(=O)[O-])c2)no1 ZINC000377357298 558323782 /nfs/dbraw/zinc/32/37/82/558323782.db2.gz AHZPMSJYNJPXPB-UHFFFAOYSA-N -1 1 373.390 2.473 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000522360799 562197358 /nfs/dbraw/zinc/19/73/58/562197358.db2.gz SUGLLRQENRWXBM-UHFFFAOYSA-N -1 1 360.443 2.462 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000522438748 562198598 /nfs/dbraw/zinc/19/85/98/562198598.db2.gz MGMKEKVRRGFTQX-AWEZNQCLSA-N -1 1 370.453 2.412 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000522438748 562198599 /nfs/dbraw/zinc/19/85/99/562198599.db2.gz MGMKEKVRRGFTQX-AWEZNQCLSA-N -1 1 370.453 2.412 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(n3cncn3)C2)c([O-])c1 ZINC000377787978 558420161 /nfs/dbraw/zinc/42/01/61/558420161.db2.gz HZJVCYWLBHEIRT-UHFFFAOYSA-N -1 1 359.386 2.028 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000377861033 558436638 /nfs/dbraw/zinc/43/66/38/558436638.db2.gz PDIBSYHTACSDLB-UHFFFAOYSA-N -1 1 359.354 2.308 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC1(C)C ZINC000377984206 558457833 /nfs/dbraw/zinc/45/78/33/558457833.db2.gz HHUQBQAAZWXPLM-NSHDSACASA-N -1 1 356.216 2.426 20 0 FEADMM CC(C)n1ccc(=NC(=O)c2ccc(I)c([O-])c2)[nH]1 ZINC000381888363 558604212 /nfs/dbraw/zinc/60/42/12/558604212.db2.gz ZNOBBNXQKWXSEM-UHFFFAOYSA-N -1 1 371.178 3.027 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000384109021 558605311 /nfs/dbraw/zinc/60/53/11/558605311.db2.gz GXHDRUZDDLZIHT-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)[C@@H](C)O1 ZINC000384882590 558605705 /nfs/dbraw/zinc/60/57/05/558605705.db2.gz KDBMRMRRYWPURW-SOCHQFKDSA-N -1 1 361.179 2.293 20 0 FEADMM CCn1cc(CNC(=O)c2cc(I)ccc2[O-])cn1 ZINC000390378575 558610925 /nfs/dbraw/zinc/61/09/25/558610925.db2.gz AMZWKIFKOKPGGD-UHFFFAOYSA-N -1 1 371.178 2.143 20 0 FEADMM CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000392210744 558616544 /nfs/dbraw/zinc/61/65/44/558616544.db2.gz NNZWDPKUNVHPOK-UHFFFAOYSA-N -1 1 352.368 2.354 20 0 FEADMM CC(=O)c1cnc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000524039167 562223254 /nfs/dbraw/zinc/22/32/54/562223254.db2.gz FIVULRVSZPVCAI-UHFFFAOYSA-N -1 1 353.425 2.278 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000408204207 558656095 /nfs/dbraw/zinc/65/60/95/558656095.db2.gz GHRGAMBWSFAAQI-ZDUSSCGKSA-N -1 1 353.469 2.352 20 0 FEADMM CC(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000408406520 558674533 /nfs/dbraw/zinc/67/45/33/558674533.db2.gz UNUIUPFUFVVOPX-UHFFFAOYSA-N -1 1 369.245 2.422 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)o1 ZINC000409930774 558728268 /nfs/dbraw/zinc/72/82/68/558728268.db2.gz FSGAPDHRLRHUTN-UHFFFAOYSA-N -1 1 362.407 2.459 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000410300300 558750200 /nfs/dbraw/zinc/75/02/00/558750200.db2.gz IMXYKLVUJUXNFL-UHFFFAOYSA-N -1 1 358.295 2.796 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000410302299 558750967 /nfs/dbraw/zinc/75/09/67/558750967.db2.gz MCYDBBNIQBNKNT-SECBINFHSA-N -1 1 352.847 2.850 20 0 FEADMM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000412276045 559024263 /nfs/dbraw/zinc/02/42/63/559024263.db2.gz YAPHJGGAOYSJHA-SECBINFHSA-N -1 1 355.320 2.082 20 0 FEADMM CCOC(=O)c1cc(C(=O)[N-]c2nc(C(C)C)c(C(=O)OC)s2)on1 ZINC000412389027 559032680 /nfs/dbraw/zinc/03/26/80/559032680.db2.gz FLEDBPSYZFZWPZ-UHFFFAOYSA-N -1 1 367.383 2.470 20 0 FEADMM C[C@@H]1C[C@H](O)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000412763319 559054947 /nfs/dbraw/zinc/05/49/47/559054947.db2.gz FFDTXSRLHZCJBP-PBHICJAKSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)Cc1ccsc1 ZINC000414346328 559157689 /nfs/dbraw/zinc/15/76/89/559157689.db2.gz FWSHFAPNUVJEGJ-UHFFFAOYSA-N -1 1 372.468 2.100 20 0 FEADMM CC(C)[C@@H]1CN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CCN1C ZINC000414628092 559176368 /nfs/dbraw/zinc/17/63/68/559176368.db2.gz RYSUPXFPKLYHFF-ROUUACIJSA-N -1 1 361.486 2.444 20 0 FEADMM Cc1ccc(CC(=O)NC2(c3nn[n-]n3)CCCC2)cc1Br ZINC000527108308 562276742 /nfs/dbraw/zinc/27/67/42/562276742.db2.gz SPZKGRZHIMCKIC-UHFFFAOYSA-N -1 1 364.247 2.399 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(OC)c2OC(F)F)n1 ZINC000415633576 559256934 /nfs/dbraw/zinc/25/69/34/559256934.db2.gz HPVLOZBTKHKCOR-UHFFFAOYSA-N -1 1 355.297 2.449 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nc(C)sc2Br)n1 ZINC000415653359 559258345 /nfs/dbraw/zinc/25/83/45/559258345.db2.gz WQTAORCUPBPASP-UHFFFAOYSA-N -1 1 359.205 2.366 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416141667 559294029 /nfs/dbraw/zinc/29/40/29/559294029.db2.gz DOQPMORJJIOIIG-ZDUSSCGKSA-N -1 1 359.382 2.055 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000416183821 559296882 /nfs/dbraw/zinc/29/68/82/559296882.db2.gz ZCUVMYUOEFZYMG-JSGCOSHPSA-N -1 1 373.409 2.325 20 0 FEADMM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416190696 559297334 /nfs/dbraw/zinc/29/73/34/559297334.db2.gz LWJAENZZMWZLKY-NSHDSACASA-N -1 1 361.398 2.312 20 0 FEADMM O=C(NC1(c2nnc[nH]2)CCC1)c1cc(F)cc(Br)c1[O-] ZINC000416218142 559299057 /nfs/dbraw/zinc/29/90/57/559299057.db2.gz UJNUTMSOTJLUIE-UHFFFAOYSA-N -1 1 355.167 2.221 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)no1 ZINC000416410496 559310918 /nfs/dbraw/zinc/31/09/18/559310918.db2.gz XJPATGLLVTYLRF-UHFFFAOYSA-N -1 1 364.196 2.067 20 0 FEADMM Cc1ncc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)o1 ZINC000416549402 559321198 /nfs/dbraw/zinc/32/11/98/559321198.db2.gz PWRCCDKOECBYFZ-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM Cn1cc([C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cn1 ZINC000417596142 559368815 /nfs/dbraw/zinc/36/88/15/559368815.db2.gz KKIGKEXVBFIIND-AWEZNQCLSA-N -1 1 351.790 2.150 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000420683516 559497758 /nfs/dbraw/zinc/49/77/58/559497758.db2.gz BPZAJSIFSVCTTK-KGLIPLIRSA-N -1 1 351.509 2.333 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](CC)OC)c1cccc(C)c1C ZINC000420687980 559498127 /nfs/dbraw/zinc/49/81/27/559498127.db2.gz KMNFIELQGJYEMQ-ZBFHGGJFSA-N -1 1 357.472 2.252 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000420717310 559500220 /nfs/dbraw/zinc/50/02/20/559500220.db2.gz LUNCNJVJESNXEG-XCBNKYQSSA-N -1 1 370.780 2.291 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2ncn(C)n2)cc1 ZINC000421155081 559527237 /nfs/dbraw/zinc/52/72/37/559527237.db2.gz NRMXWRZFURCKRS-OAHLLOKOSA-N -1 1 352.460 2.285 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c1C ZINC000424068816 559653532 /nfs/dbraw/zinc/65/35/32/559653532.db2.gz TXQSASGSIFCGOV-UHFFFAOYSA-N -1 1 370.406 2.002 20 0 FEADMM O=S(=O)(Cc1nc(C(F)F)no1)c1n[n-]c(CCC2CCCC2)n1 ZINC000424202694 559657610 /nfs/dbraw/zinc/65/76/10/559657610.db2.gz IAFUAOUSLOPWQX-UHFFFAOYSA-N -1 1 361.374 2.222 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000424601248 559670821 /nfs/dbraw/zinc/67/08/21/559670821.db2.gz PCMQLXACLULHQY-SMDDNHRTSA-N -1 1 372.874 2.061 20 0 FEADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1Br ZINC000424618445 559671486 /nfs/dbraw/zinc/67/14/86/559671486.db2.gz JZLUOAMJKDQOMF-ZDUSSCGKSA-N -1 1 354.204 2.107 20 0 FEADMM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000425175274 559689629 /nfs/dbraw/zinc/68/96/29/559689629.db2.gz HZLIGSXFRZYBJH-AWEZNQCLSA-N -1 1 355.406 2.464 20 0 FEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cncc(Cl)c2)s1 ZINC000425198980 559690770 /nfs/dbraw/zinc/69/07/70/559690770.db2.gz FEOULUOPLFDORH-SSDOTTSWSA-N -1 1 361.832 2.018 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425239125 559692844 /nfs/dbraw/zinc/69/28/44/559692844.db2.gz KBMNXVRGHPKEQT-HOCLYGCPSA-N -1 1 360.483 2.663 20 0 FEADMM COc1ccccc1[C@H](NC(=O)c1ncc(C)cc1[O-])c1noc(C)n1 ZINC000426851501 559743010 /nfs/dbraw/zinc/74/30/10/559743010.db2.gz QPPUYHBAUSMNDV-HNNXBMFYSA-N -1 1 354.366 2.315 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)co1 ZINC000426879909 559743588 /nfs/dbraw/zinc/74/35/88/559743588.db2.gz XIQMADLBUBRYMS-NSHDSACASA-N -1 1 354.432 2.244 20 0 FEADMM Cc1cnc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000427152734 559749185 /nfs/dbraw/zinc/74/91/85/559749185.db2.gz MKJMAOXEIVMJND-UHFFFAOYSA-N -1 1 367.449 2.403 20 0 FEADMM Cc1noc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000428071293 559769204 /nfs/dbraw/zinc/76/92/04/559769204.db2.gz PMBIDTDUDVBSPL-UHFFFAOYSA-N -1 1 353.734 2.111 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@H]1CCO ZINC000428604275 559779502 /nfs/dbraw/zinc/77/95/02/559779502.db2.gz STQPEAWVIGNJJU-QGZVFWFLSA-N -1 1 374.462 2.474 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c(NC(N)=O)c1)OCO2 ZINC000431177393 559835325 /nfs/dbraw/zinc/83/53/25/559835325.db2.gz FVFHLPLJFGKOFT-UHFFFAOYSA-N -1 1 367.358 2.154 20 0 FEADMM CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000431577279 559841762 /nfs/dbraw/zinc/84/17/62/559841762.db2.gz GIJCVQLEXUVBGT-UHFFFAOYSA-N -1 1 366.480 2.300 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC000431580935 559841912 /nfs/dbraw/zinc/84/19/12/559841912.db2.gz XAIPNACXADXLED-CQSZACIVSA-N -1 1 363.439 2.059 20 0 FEADMM COC(=O)c1c[n-]c(SCCCS(=O)(=O)c2cccc(C)c2)n1 ZINC000432671473 559862968 /nfs/dbraw/zinc/86/29/68/559862968.db2.gz RCFKIOXXFITGQH-UHFFFAOYSA-N -1 1 354.453 2.461 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCC(=O)OC)cc2)[n-]c1=O ZINC000432701625 559863172 /nfs/dbraw/zinc/86/31/72/559863172.db2.gz APLPYNUSRGXYET-FMIVXFBMSA-N -1 1 372.377 2.471 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3nccc(OC)n3)c2)n1 ZINC000432941235 559868425 /nfs/dbraw/zinc/86/84/25/559868425.db2.gz UWTFADVIXQHAMU-UHFFFAOYSA-N -1 1 354.370 2.059 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cn1C ZINC000432965820 559869094 /nfs/dbraw/zinc/86/90/94/559869094.db2.gz PTJSSBQTARILFB-GFCCVEGCSA-N -1 1 351.325 2.291 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000436189430 559937219 /nfs/dbraw/zinc/93/72/19/559937219.db2.gz UBSPNZDSTNYQTQ-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000436479306 559942528 /nfs/dbraw/zinc/94/25/28/559942528.db2.gz QIWCXXGTPOJPRB-UHFFFAOYSA-N -1 1 366.464 2.381 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)C)c1 ZINC000436516924 559944023 /nfs/dbraw/zinc/94/40/23/559944023.db2.gz YBCDPBDXXFHWNC-CQSZACIVSA-N -1 1 350.415 2.304 20 0 FEADMM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436523331 559944248 /nfs/dbraw/zinc/94/42/48/559944248.db2.gz AGYVEAVYQLKYDI-UHFFFAOYSA-N -1 1 363.373 2.013 20 0 FEADMM O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436541739 559944859 /nfs/dbraw/zinc/94/48/59/559944859.db2.gz ZMOAVENMMZOUBG-UHFFFAOYSA-N -1 1 354.210 2.478 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)c([O-])c1 ZINC000436548884 559944948 /nfs/dbraw/zinc/94/49/48/559944948.db2.gz NVNBEGIVXOBRHX-UHFFFAOYSA-N -1 1 370.405 2.434 20 0 FEADMM CN(CCCO)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436558121 559945419 /nfs/dbraw/zinc/94/54/19/559945419.db2.gz WLUDYADOHLDVHC-UHFFFAOYSA-N -1 1 364.348 2.377 20 0 FEADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000436576033 559945719 /nfs/dbraw/zinc/94/57/19/559945719.db2.gz PJSRTXIIYIRCRN-VYDXJSESSA-N -1 1 354.381 2.418 20 0 FEADMM COc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2[O-])cc(OC)c1 ZINC000436574127 559945790 /nfs/dbraw/zinc/94/57/90/559945790.db2.gz FFAZNZDZDVDEAA-UHFFFAOYSA-N -1 1 364.785 2.431 20 0 FEADMM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000436606042 559946303 /nfs/dbraw/zinc/94/63/03/559946303.db2.gz LLKLWFDJCRQZAU-UHFFFAOYSA-N -1 1 363.391 2.413 20 0 FEADMM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436709735 559949573 /nfs/dbraw/zinc/94/95/73/559949573.db2.gz WIQQNUPPMODCFK-HNNXBMFYSA-N -1 1 356.353 2.026 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c([O-])c1 ZINC000436715502 559949883 /nfs/dbraw/zinc/94/98/83/559949883.db2.gz LQNSRLAECSDBGW-UHFFFAOYSA-N -1 1 370.405 2.434 20 0 FEADMM Cc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3[O-])[nH]c2c1 ZINC000436722871 559949943 /nfs/dbraw/zinc/94/99/43/559949943.db2.gz MHXQQURKDSIFLW-UHFFFAOYSA-N -1 1 374.422 2.080 20 0 FEADMM CS(=O)(=O)c1cccnc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436730026 559950121 /nfs/dbraw/zinc/95/01/21/559950121.db2.gz DPZLFPSTEKSRID-UHFFFAOYSA-N -1 1 356.403 2.274 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3c([O-])cccc3F)C2=O)c1 ZINC000436740218 559950686 /nfs/dbraw/zinc/95/06/86/559950686.db2.gz YGDNTICCGUUBNX-OAHLLOKOSA-N -1 1 374.368 2.084 20 0 FEADMM CNC(=O)[C@H](CCSC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436748585 559950729 /nfs/dbraw/zinc/95/07/29/559950729.db2.gz GUQBWOHNOOFXFZ-JTQLQIEISA-N -1 1 350.362 2.009 20 0 FEADMM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000436744465 559950789 /nfs/dbraw/zinc/95/07/89/559950789.db2.gz MNURWQGCCYIWAW-BSEYFRJRSA-N -1 1 367.858 2.208 20 0 FEADMM COCCN(Cc1ccnn1C)C(=O)c1cc(Br)ccc1[O-] ZINC000436744706 559950801 /nfs/dbraw/zinc/95/08/01/559950801.db2.gz OXNBFPFPSIJRPM-UHFFFAOYSA-N -1 1 368.231 2.177 20 0 FEADMM O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436754700 559951020 /nfs/dbraw/zinc/95/10/20/559951020.db2.gz JXRLZRQALJDBQJ-UHFFFAOYSA-N -1 1 370.430 2.254 20 0 FEADMM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436783746 559951813 /nfs/dbraw/zinc/95/18/13/559951813.db2.gz UEEAQPVKIVQLBG-UHFFFAOYSA-N -1 1 371.393 2.313 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(O)c1 ZINC000436811855 559952904 /nfs/dbraw/zinc/95/29/04/559952904.db2.gz LBCCKUJYKXNSIX-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436836868 559953921 /nfs/dbraw/zinc/95/39/21/559953921.db2.gz FWLZVBSQWGUEKP-SNVBAGLBSA-N -1 1 362.323 2.452 20 0 FEADMM Cn1cnc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000436866140 559954963 /nfs/dbraw/zinc/95/49/63/559954963.db2.gz VSZALBVBFPUNLI-UHFFFAOYSA-N -1 1 373.319 2.304 20 0 FEADMM Cn1ccnc1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000436885053 559955356 /nfs/dbraw/zinc/95/53/56/559955356.db2.gz MTCVOENUXDZMFW-INIZCTEOSA-N -1 1 353.353 2.353 20 0 FEADMM Cc1cnccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436906645 559956094 /nfs/dbraw/zinc/95/60/94/559956094.db2.gz WIQRYRYSYYJDBU-UHFFFAOYSA-N -1 1 361.423 2.132 20 0 FEADMM O=C(NCc1ccc(F)cn1)c1cc(I)ccc1[O-] ZINC000436912500 559956196 /nfs/dbraw/zinc/95/61/96/559956196.db2.gz WSQGLYAHDWHAJQ-UHFFFAOYSA-N -1 1 372.137 2.461 20 0 FEADMM Cn1cc([C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccc(F)cc2)cn1 ZINC000436913390 559956326 /nfs/dbraw/zinc/95/63/26/559956326.db2.gz VNBPYGLKYVAMQJ-KRWDZBQOSA-N -1 1 353.353 2.353 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000436941372 559956978 /nfs/dbraw/zinc/95/69/78/559956978.db2.gz CRTFDVONBPWRMY-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2OC)ccc1O ZINC000436961089 559957431 /nfs/dbraw/zinc/95/74/31/559957431.db2.gz JBWYGZOYOUBBJN-UHFFFAOYSA-N -1 1 355.343 2.127 20 0 FEADMM CCc1cccnc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000436964202 559957719 /nfs/dbraw/zinc/95/77/19/559957719.db2.gz PVQAYCVGSMQAMV-UHFFFAOYSA-N -1 1 361.423 2.043 20 0 FEADMM CCOC(=O)[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)Cc2ccccc21 ZINC000436968451 559957953 /nfs/dbraw/zinc/95/79/53/559957953.db2.gz VHARWTWDWOLYRX-QGZVFWFLSA-N -1 1 353.374 2.264 20 0 FEADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000436977327 559958044 /nfs/dbraw/zinc/95/80/44/559958044.db2.gz FJFBCELRAITTKU-NSHDSACASA-N -1 1 366.414 2.273 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436997622 559959205 /nfs/dbraw/zinc/95/92/05/559959205.db2.gz WVNILTPZUFONAQ-UHFFFAOYSA-N -1 1 365.363 2.068 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)o1 ZINC000437305075 559963091 /nfs/dbraw/zinc/96/30/91/559963091.db2.gz FBZUMLJDTDHUES-LYOVBCGYSA-N -1 1 365.407 2.298 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1csc(=NC2CC2)[n-]1 ZINC000438315136 559977152 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Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442847408 560059617 /nfs/dbraw/zinc/05/96/17/560059617.db2.gz LIEXRGIXEUCFDD-UHFFFAOYSA-N -1 1 355.379 2.424 20 0 FEADMM CNC(=O)COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000442955743 560063551 /nfs/dbraw/zinc/06/35/51/560063551.db2.gz MJENLTCTACPJQM-UHFFFAOYSA-N -1 1 364.785 2.431 20 0 FEADMM COc1cc(C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cc(Cl)c1[O-] ZINC000442958967 560063946 /nfs/dbraw/zinc/06/39/46/560063946.db2.gz DGBHCXSNNUTHDA-GFCCVEGCSA-N -1 1 360.797 2.359 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)cc1C ZINC000443076139 560069545 /nfs/dbraw/zinc/06/95/45/560069545.db2.gz WFSYNFXOQWBLJV-CYBMUJFWSA-N -1 1 365.455 2.113 20 0 FEADMM COc1cc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)cc(Cl)c1[O-] ZINC000443217953 560074808 /nfs/dbraw/zinc/07/48/08/560074808.db2.gz QVIDPXRLDSETRD-UHFFFAOYSA-N -1 1 350.684 2.121 20 0 FEADMM COc1cc(C(=O)N2CCC(O[C@H]3CCOC3)CC2)cc(Cl)c1[O-] ZINC000443267935 560076935 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/nfs/dbraw/zinc/77/21/10/560772110.db2.gz JQPWJUUGSKWMBL-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM CCO[C@@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461462742 560772481 /nfs/dbraw/zinc/77/24/81/560772481.db2.gz AALSZVWBCNJWJV-MRXNPFEDSA-N -1 1 364.423 2.017 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccc(C)cc2)c1 ZINC000461464238 560772691 /nfs/dbraw/zinc/77/26/91/560772691.db2.gz KHYBOWVPEWACIN-UHFFFAOYSA-N -1 1 366.464 2.340 20 0 FEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CC23CCC(CC2)C3)(C(=O)OC)C1(C)C ZINC000462083235 560795910 /nfs/dbraw/zinc/79/59/10/560795910.db2.gz ZWGUSYGZHVRIGI-WZTMSUDTSA-N -1 1 373.515 2.233 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@](C)(OC)C3CC3)c2)n1 ZINC000462322896 560805640 /nfs/dbraw/zinc/80/56/40/560805640.db2.gz RNJGNTLYNAHCOW-IBGZPJMESA-N -1 1 372.425 2.080 20 0 FEADMM CCCOc1ccc(Br)cc1CS(=O)(=O)c1ncn[n-]1 ZINC000462412296 560809297 /nfs/dbraw/zinc/80/92/97/560809297.db2.gz ZYKITZODVQJZKB-UHFFFAOYSA-N -1 1 360.233 2.330 20 0 FEADMM CCCOc1ccc(Br)cc1CS(=O)(=O)c1nc[n-]n1 ZINC000462412296 560809298 /nfs/dbraw/zinc/80/92/98/560809298.db2.gz ZYKITZODVQJZKB-UHFFFAOYSA-N -1 1 360.233 2.330 20 0 FEADMM C[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000464279475 560837754 /nfs/dbraw/zinc/83/77/54/560837754.db2.gz WZILSGGFKXNTPY-MRVPVSSYSA-N -1 1 356.366 2.427 20 0 FEADMM COc1cc(NC(=O)c2nc(C)c(C)nc2C)ccc1[N-]S(C)(=O)=O ZINC000464314168 560838649 /nfs/dbraw/zinc/83/86/49/560838649.db2.gz VYFDZHHQUBWQBZ-UHFFFAOYSA-N -1 1 364.427 2.034 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000464347319 560839388 /nfs/dbraw/zinc/83/93/88/560839388.db2.gz ARQZHFDSRRMBCW-CABCVRRESA-N -1 1 360.458 2.303 20 0 FEADMM O=C(N=c1ccc([O-])n[nH]1)c1c(Br)cccc1Br ZINC000466338769 560884489 /nfs/dbraw/zinc/88/44/89/560884489.db2.gz XDFLIFXIPZFTAU-UHFFFAOYSA-N -1 1 373.004 2.960 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000466355194 560884927 /nfs/dbraw/zinc/88/49/27/560884927.db2.gz SZLDMRIUMDSGOA-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1OC)c1ccc(F)c(C)c1 ZINC000466531089 560889010 /nfs/dbraw/zinc/88/90/10/560889010.db2.gz PPRNLBREUFJBJU-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)ccc1C ZINC000467079155 560903140 /nfs/dbraw/zinc/90/31/40/560903140.db2.gz MNVGEBVPPVLVSY-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC)o1 ZINC000467155596 560905131 /nfs/dbraw/zinc/90/51/31/560905131.db2.gz QUXYZGRJDMXSPX-UHFFFAOYSA-N -1 1 353.396 2.252 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)c1nn[n-]n1 ZINC000467653320 560914420 /nfs/dbraw/zinc/91/44/20/560914420.db2.gz MFWVSORNVYAHJT-QMTHXVAHSA-N -1 1 362.459 2.296 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)c1nn[n-]n1 ZINC000467653318 560914467 /nfs/dbraw/zinc/91/44/67/560914467.db2.gz MFWVSORNVYAHJT-HZMBPMFUSA-N -1 1 362.459 2.296 20 0 FEADMM CCN(C)S(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000467760565 560916604 /nfs/dbraw/zinc/91/66/04/560916604.db2.gz ZAMUZNMXLKNLSR-UHFFFAOYSA-N -1 1 369.468 2.096 20 0 FEADMM COc1c(F)cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1F ZINC000468088196 560922313 /nfs/dbraw/zinc/92/23/13/560922313.db2.gz TWCLIFOLTVVBJS-UHFFFAOYSA-N -1 1 362.292 2.284 20 0 FEADMM Cc1ccc(-c2nnc([C@@H](C)N3CCN(c4nc(=N)[n-]s4)CC3)o2)cc1 ZINC000468850858 560940409 /nfs/dbraw/zinc/94/04/09/560940409.db2.gz FYDOYEYBLZXMKQ-GFCCVEGCSA-N -1 1 371.470 2.362 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc(C)c(O)c(C)c2)o1 ZINC000468857028 560940495 /nfs/dbraw/zinc/94/04/95/560940495.db2.gz HAFLCCQNPNCYBG-UHFFFAOYSA-N -1 1 367.423 2.300 20 0 FEADMM CC[C@@H](C)[C@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000468866438 560940884 /nfs/dbraw/zinc/94/08/84/560940884.db2.gz GFJIXVRQDNVKPA-HIFRSBDPSA-N -1 1 359.499 2.599 20 0 FEADMM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)ccc2O1 ZINC000469035182 560945470 /nfs/dbraw/zinc/94/54/70/560945470.db2.gz TVCNTUYUNMXVOH-UHFFFAOYSA-N -1 1 372.402 2.085 20 0 FEADMM Cc1cc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469641384 560960548 /nfs/dbraw/zinc/96/05/48/560960548.db2.gz BVYDQALHYMBESI-VIFPVBQESA-N -1 1 370.340 2.311 20 0 FEADMM Cc1cc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469641384 560960549 /nfs/dbraw/zinc/96/05/49/560960549.db2.gz BVYDQALHYMBESI-VIFPVBQESA-N -1 1 370.340 2.311 20 0 FEADMM Cc1cc(C(=O)N2C[C@@H](C)Oc3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469975971 560970301 /nfs/dbraw/zinc/97/03/01/560970301.db2.gz UVPDRNFSJDVMTK-SNVBAGLBSA-N -1 1 352.350 2.172 20 0 FEADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CNC(=O)c3ncccc3[O-])C2)cc1 ZINC000470562892 560984653 /nfs/dbraw/zinc/98/46/53/560984653.db2.gz DUIONHMZHHHKHS-HOCLYGCPSA-N -1 1 353.422 2.230 20 0 FEADMM CCC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471629999 561009119 /nfs/dbraw/zinc/00/91/19/561009119.db2.gz SBQKEGDXTMPGJZ-UHFFFAOYSA-N -1 1 358.616 2.499 20 0 FEADMM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000472712257 561033684 /nfs/dbraw/zinc/03/36/84/561033684.db2.gz ZJUJSULZWRSANU-KZUAUGPASA-N -1 1 370.215 2.333 20 0 FEADMM Cc1cnc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)c([O-])c1 ZINC000473119380 561042358 /nfs/dbraw/zinc/04/23/58/561042358.db2.gz BWEOLGQTXNAGMM-STQMWFEESA-N -1 1 364.446 2.237 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cn1C ZINC000474427201 561073851 /nfs/dbraw/zinc/07/38/51/561073851.db2.gz NQEHBMKUSRSPJQ-UHFFFAOYSA-N -1 1 366.443 2.383 20 0 FEADMM CC(C)(NC(=O)COC(c1ccccc1)c1ccccc1)c1nn[n-]n1 ZINC000474993963 561087133 /nfs/dbraw/zinc/08/71/33/561087133.db2.gz QLRQFSNPKWCCAR-UHFFFAOYSA-N -1 1 351.410 2.357 20 0 FEADMM CC(C)(NC(=O)COc1ccc(Br)cc1Cl)c1nn[n-]n1 ZINC000475006396 561087585 /nfs/dbraw/zinc/08/75/85/561087585.db2.gz LNPFKQPCKLJIJF-UHFFFAOYSA-N -1 1 374.626 2.046 20 0 FEADMM CC(C)(NC(=O)CSCc1coc(-c2ccccc2)n1)c1nn[n-]n1 ZINC000475019044 561087941 /nfs/dbraw/zinc/08/79/41/561087941.db2.gz RDOZHWAEIYNPOD-UHFFFAOYSA-N -1 1 358.427 2.139 20 0 FEADMM CCC[C@H](CCO)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476777354 561128271 /nfs/dbraw/zinc/12/82/71/561128271.db2.gz JRPUPOAXQVKRLR-CQSZACIVSA-N -1 1 358.442 2.010 20 0 FEADMM O=C(CCC(=O)c1cc(Cl)sc1Cl)NC1(c2nn[n-]n2)CC1 ZINC000477028770 561134507 /nfs/dbraw/zinc/13/45/07/561134507.db2.gz GFQZWJZUULASJS-UHFFFAOYSA-N -1 1 360.226 2.336 20 0 FEADMM COc1cccc([C@@H]2CN(S(=O)(=O)c3c(C)o[n-]c3=N)CC2(C)C)c1 ZINC000528471039 562330817 /nfs/dbraw/zinc/33/08/17/562330817.db2.gz DHEFBVFFSGJTEU-AWEZNQCLSA-N -1 1 365.455 2.388 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)c(C(F)(F)F)n1 ZINC000528545928 562335273 /nfs/dbraw/zinc/33/52/73/562335273.db2.gz PDOBDUATYYCFMV-DTWKUNHWSA-N -1 1 351.375 2.335 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000529997354 562394041 /nfs/dbraw/zinc/39/40/41/562394041.db2.gz NBACXPDIKIHICE-AWEZNQCLSA-N -1 1 368.437 2.345 20 0 FEADMM CC1(C)COc2cc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc21 ZINC000530141130 562399616 /nfs/dbraw/zinc/39/96/16/562399616.db2.gz BUPOLPRCKUGNKM-UHFFFAOYSA-N -1 1 374.418 2.488 20 0 FEADMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000530170606 562401259 /nfs/dbraw/zinc/40/12/59/562401259.db2.gz UDZFOLOUADUENB-BLLLJJGKSA-N -1 1 351.786 2.357 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@@H](n3cccn3)C(F)(F)F)cnc2n1 ZINC000530265686 562404766 /nfs/dbraw/zinc/40/47/66/562404766.db2.gz PVHBGCIMFWCXTM-GFCCVEGCSA-N -1 1 365.315 2.374 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC[C@@H](n3cccn3)C(F)(F)F)c[n-]c2n1 ZINC000530265686 562404767 /nfs/dbraw/zinc/40/47/67/562404767.db2.gz PVHBGCIMFWCXTM-GFCCVEGCSA-N -1 1 365.315 2.374 20 0 FEADMM Cn1[n-]c(CN2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)nc1=O ZINC000530445309 562411409 /nfs/dbraw/zinc/41/14/09/562411409.db2.gz RYMOJCTTWWXMNO-OAHLLOKOSA-N -1 1 356.405 2.365 20 0 FEADMM Cc1noc2ncc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)cc12 ZINC000531119376 562435149 /nfs/dbraw/zinc/43/51/49/562435149.db2.gz KKNKRQRZSZVWKD-UHFFFAOYSA-N -1 1 352.354 2.078 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000531534258 562449008 /nfs/dbraw/zinc/44/90/08/562449008.db2.gz CERUZMSVXWAYBE-QMMMGPOBSA-N -1 1 351.432 2.384 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)CC2CCCC2)Cc2ccccc2C1 ZINC000532194906 562470461 /nfs/dbraw/zinc/47/04/61/562470461.db2.gz ACKSYDCVJJTPBL-UHFFFAOYSA-N -1 1 351.468 2.197 20 0 FEADMM CCS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532620674 562483484 /nfs/dbraw/zinc/48/34/84/562483484.db2.gz FUSQFUJJZBNMLY-UHFFFAOYSA-N -1 1 352.387 2.223 20 0 FEADMM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(F)cc1[O-] ZINC000532622246 562483501 /nfs/dbraw/zinc/48/35/01/562483501.db2.gz PITKGTJZSVGFOQ-UHFFFAOYSA-N -1 1 372.805 2.492 20 0 FEADMM CN(C)CCN(CC(=O)[O-])C(=O)CCC(=O)c1csc2ccccc12 ZINC000532676129 562485225 /nfs/dbraw/zinc/48/52/25/562485225.db2.gz JVTLGFBCPGTNNX-UHFFFAOYSA-N -1 1 362.451 2.339 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(CC)cc2)o1 ZINC000532830239 562490019 /nfs/dbraw/zinc/49/00/19/562490019.db2.gz HSIIXTBSNHJSER-CQSZACIVSA-N -1 1 367.423 2.031 20 0 FEADMM C[C@H](C(=O)[O-])N(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000533189952 562501021 /nfs/dbraw/zinc/50/10/21/562501021.db2.gz YBZOGNXBCQXFTO-MRVPVSSYSA-N -1 1 352.188 2.384 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CC)c1ccccc1 ZINC000533547397 562512483 /nfs/dbraw/zinc/51/24/83/562512483.db2.gz AWKHEENSJIGLOZ-GFCCVEGCSA-N -1 1 351.428 2.059 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)co1 ZINC000533705262 562516520 /nfs/dbraw/zinc/51/65/20/562516520.db2.gz XEMUPVFXUNUQHA-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000534906600 562545046 /nfs/dbraw/zinc/54/50/46/562545046.db2.gz YGEYOIOZXKSELO-MRVPVSSYSA-N -1 1 362.181 2.469 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])s1 ZINC000535593920 562562196 /nfs/dbraw/zinc/56/21/96/562562196.db2.gz HBWXAFSIZKAPHR-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000536391092 562574574 /nfs/dbraw/zinc/57/45/74/562574574.db2.gz NOMNPDPFTDBGAQ-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM O=C(Cc1csc(Cc2ccccc2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537123077 562585977 /nfs/dbraw/zinc/58/59/77/562585977.db2.gz BLCBDFPDKMZIOV-AWEZNQCLSA-N -1 1 368.466 2.196 20 0 FEADMM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000541808011 562620193 /nfs/dbraw/zinc/62/01/93/562620193.db2.gz ZOJCEXYFFPIYGK-UHFFFAOYSA-N -1 1 371.256 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc4ncccc4c3)no2)co1 ZINC000546345086 562636311 /nfs/dbraw/zinc/63/63/11/562636311.db2.gz DLKTWGWOROBAEW-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM Cc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cnn1Cc1ccccc1 ZINC000550101170 562642383 /nfs/dbraw/zinc/64/23/83/562642383.db2.gz CIXNKOXRLOWCNT-UHFFFAOYSA-N -1 1 367.409 2.348 20 0 FEADMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c2cnn(C(C)C)c2n1 ZINC000550100221 562642406 /nfs/dbraw/zinc/64/24/06/562642406.db2.gz OSXORNGJRVMNLJ-UHFFFAOYSA-N -1 1 370.413 2.429 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)c1 ZINC000555960102 674383514 /nfs/dbraw/zinc/38/35/14/674383514.db2.gz XHXAUZRIAUQHAF-UHFFFAOYSA-N -1 1 362.407 2.241 20 0 FEADMM CCCc1nc(-c2nc(=O)c3c4c(sc3[n-]2)CS(=O)(=O)CC4)co1 ZINC000556056077 674386353 /nfs/dbraw/zinc/38/63/53/674386353.db2.gz DINOUPCNQBTGHL-UHFFFAOYSA-N -1 1 365.436 2.475 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)SCC2)c1cc2cc(F)ccc2o1 ZINC000556301411 674395734 /nfs/dbraw/zinc/39/57/34/674395734.db2.gz QMSAPVJHCYZFSV-UHFFFAOYSA-N -1 1 367.427 2.395 20 0 FEADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ncccc2N2CCOCC2)c1 ZINC000556303120 674395818 /nfs/dbraw/zinc/39/58/18/674395818.db2.gz QNIQPRSJMMYJLR-UHFFFAOYSA-N -1 1 361.467 2.477 20 0 FEADMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601686496 567819856 /nfs/dbraw/zinc/81/98/56/567819856.db2.gz ZPZOPQJCUREZTP-GXTWGEPZSA-N -1 1 355.818 2.063 20 0 FEADMM COC(=O)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1[O-] ZINC000601831902 567850776 /nfs/dbraw/zinc/85/07/76/567850776.db2.gz SSDPUGGRACCODF-UHFFFAOYSA-N -1 1 354.200 2.465 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCCc2ccccc2Cl)n[n-]1 ZINC000603017127 568051978 /nfs/dbraw/zinc/05/19/78/568051978.db2.gz PLCFBVCYSWPXCQ-UHFFFAOYSA-N -1 1 350.806 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCCc2ccccc2Cl)n1 ZINC000603017127 568051979 /nfs/dbraw/zinc/05/19/79/568051979.db2.gz PLCFBVCYSWPXCQ-UHFFFAOYSA-N -1 1 350.806 2.274 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCc2ccc(C)c(Cl)c2)n[n-]1 ZINC000603019221 568052224 /nfs/dbraw/zinc/05/22/24/568052224.db2.gz TWGDQDXBXPZYIK-UHFFFAOYSA-N -1 1 350.806 2.192 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2ccc(C)c(Cl)c2)n1 ZINC000603019221 568052225 /nfs/dbraw/zinc/05/22/25/568052225.db2.gz TWGDQDXBXPZYIK-UHFFFAOYSA-N -1 1 350.806 2.192 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(F)c(CSC)c2)n[n-]1 ZINC000603153194 568065230 /nfs/dbraw/zinc/06/52/30/568065230.db2.gz HLNHQRDYEYPQOR-VIFPVBQESA-N -1 1 366.418 2.475 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(F)c(CSC)c2)[n-]1 ZINC000603153194 568065231 /nfs/dbraw/zinc/06/52/31/568065231.db2.gz HLNHQRDYEYPQOR-VIFPVBQESA-N -1 1 366.418 2.475 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(F)c(CSC)c2)n1 ZINC000603153194 568065232 /nfs/dbraw/zinc/06/52/32/568065232.db2.gz HLNHQRDYEYPQOR-VIFPVBQESA-N -1 1 366.418 2.475 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2SCCc3sccc32)n[n-]1 ZINC000603154968 568068507 /nfs/dbraw/zinc/06/85/07/568068507.db2.gz NOKVOFXIXMNSGP-LDYMZIIASA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2SCCc3sccc32)[n-]1 ZINC000603154968 568068508 /nfs/dbraw/zinc/06/85/08/568068508.db2.gz NOKVOFXIXMNSGP-LDYMZIIASA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2SCCc3sccc32)n1 ZINC000603154968 568068509 /nfs/dbraw/zinc/06/85/09/568068509.db2.gz NOKVOFXIXMNSGP-LDYMZIIASA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2c(C)cccc2Cl)n[n-]1 ZINC000603156724 568068763 /nfs/dbraw/zinc/06/87/63/568068763.db2.gz TVJXAPKSSAAUJC-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2c(C)cccc2Cl)[n-]1 ZINC000603156724 568068764 /nfs/dbraw/zinc/06/87/64/568068764.db2.gz TVJXAPKSSAAUJC-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2c(C)cccc2Cl)n1 ZINC000603156724 568068765 /nfs/dbraw/zinc/06/87/65/568068765.db2.gz TVJXAPKSSAAUJC-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@]2(C)CCCc3ccccc32)n[n-]1 ZINC000603165971 568070136 /nfs/dbraw/zinc/07/01/36/568070136.db2.gz NGWMYPZNDQWZFY-BLVKFPJESA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@]2(C)CCCc3ccccc32)[n-]1 ZINC000603165971 568070137 /nfs/dbraw/zinc/07/01/37/568070137.db2.gz NGWMYPZNDQWZFY-BLVKFPJESA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@]2(C)CCCc3ccccc32)n1 ZINC000603165971 568070138 /nfs/dbraw/zinc/07/01/38/568070138.db2.gz NGWMYPZNDQWZFY-BLVKFPJESA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(Br)cc2)n[n-]1 ZINC000603166772 568070370 /nfs/dbraw/zinc/07/03/70/568070370.db2.gz RTBKEUSMGKUOJN-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(Br)cc2)[n-]1 ZINC000603166772 568070371 /nfs/dbraw/zinc/07/03/71/568070371.db2.gz RTBKEUSMGKUOJN-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(Br)cc2)n1 ZINC000603166772 568070372 /nfs/dbraw/zinc/07/03/72/568070372.db2.gz RTBKEUSMGKUOJN-QMMMGPOBSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)C[C@]2(C)CC2(F)F)CCc2ccccc21 ZINC000603285745 568082866 /nfs/dbraw/zinc/08/28/66/568082866.db2.gz IGBRMVSGHWBCFU-HOTGVXAUSA-N -1 1 373.421 2.356 20 0 FEADMM CCOC(=O)c1nc([C@H](C)Nc2ncc(Br)cc2F)n[n-]1 ZINC000603409424 568097717 /nfs/dbraw/zinc/09/77/17/568097717.db2.gz XFNYHSVFGXNTTJ-LURJTMIESA-N -1 1 358.171 2.451 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)Nc2ncc(Br)cc2F)[n-]1 ZINC000603409424 568097718 /nfs/dbraw/zinc/09/77/18/568097718.db2.gz XFNYHSVFGXNTTJ-LURJTMIESA-N -1 1 358.171 2.451 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)Nc2ncc(Br)cc2F)n1 ZINC000603409424 568097719 /nfs/dbraw/zinc/09/77/19/568097719.db2.gz XFNYHSVFGXNTTJ-LURJTMIESA-N -1 1 358.171 2.451 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(CCO)c2)c1 ZINC000603418686 568098903 /nfs/dbraw/zinc/09/89/03/568098903.db2.gz TUZLLUAKNZLMQN-UHFFFAOYSA-N -1 1 363.435 2.128 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2nccn2c1 ZINC000603884340 568176819 /nfs/dbraw/zinc/17/68/19/568176819.db2.gz UBMVRMZWSHVYPL-UHFFFAOYSA-N -1 1 350.382 2.271 20 0 FEADMM Cc1cc(C)cc(OCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000603911254 568178616 /nfs/dbraw/zinc/17/86/16/568178616.db2.gz FHNFUWXSWZFEHL-UHFFFAOYSA-N -1 1 354.410 2.364 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000737200505 598838827 /nfs/dbraw/zinc/83/88/27/598838827.db2.gz NFKAAFMWMJEVJC-GHMZBOCLSA-N -1 1 372.473 2.458 20 0 FEADMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736298929 598840731 /nfs/dbraw/zinc/84/07/31/598840731.db2.gz RETQSTWOYRQHNW-SNVBAGLBSA-N -1 1 359.386 2.146 20 0 FEADMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736298929 598840732 /nfs/dbraw/zinc/84/07/32/598840732.db2.gz RETQSTWOYRQHNW-SNVBAGLBSA-N -1 1 359.386 2.146 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737186121 598841655 /nfs/dbraw/zinc/84/16/55/598841655.db2.gz HHINTFJTJUBVKN-YGOYTEALSA-N -1 1 362.459 2.244 20 0 FEADMM CC(C)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735747418 598873283 /nfs/dbraw/zinc/87/32/83/598873283.db2.gz DRMHVKIYJKBUHL-LLVKDONJSA-N -1 1 355.851 2.329 20 0 FEADMM CC(C)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735747418 598873284 /nfs/dbraw/zinc/87/32/84/598873284.db2.gz DRMHVKIYJKBUHL-LLVKDONJSA-N -1 1 355.851 2.329 20 0 FEADMM Cc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737435153 598955643 /nfs/dbraw/zinc/95/56/43/598955643.db2.gz HYJFYLIPFNSBOK-UHFFFAOYSA-N -1 1 372.436 2.445 20 0 FEADMM Cc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737435153 598955645 /nfs/dbraw/zinc/95/56/45/598955645.db2.gz HYJFYLIPFNSBOK-UHFFFAOYSA-N -1 1 372.436 2.445 20 0 FEADMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738174518 598979136 /nfs/dbraw/zinc/97/91/36/598979136.db2.gz SKWUCYGDWBXMKE-UHFFFAOYSA-N -1 1 350.260 2.413 20 0 FEADMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738174518 598979138 /nfs/dbraw/zinc/97/91/38/598979138.db2.gz SKWUCYGDWBXMKE-UHFFFAOYSA-N -1 1 350.260 2.413 20 0 FEADMM Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737213352 598997647 /nfs/dbraw/zinc/99/76/47/598997647.db2.gz ZAGHXKRUGCEGFS-UHFFFAOYSA-N -1 1 352.329 2.385 20 0 FEADMM Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737213352 598997648 /nfs/dbraw/zinc/99/76/48/598997648.db2.gz ZAGHXKRUGCEGFS-UHFFFAOYSA-N -1 1 352.329 2.385 20 0 FEADMM CCOC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736602702 599004376 /nfs/dbraw/zinc/00/43/76/599004376.db2.gz LBQIBZNRJUEAFR-UHFFFAOYSA-N -1 1 354.326 2.049 20 0 FEADMM CCOC(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736602702 599004378 /nfs/dbraw/zinc/00/43/78/599004378.db2.gz LBQIBZNRJUEAFR-UHFFFAOYSA-N -1 1 354.326 2.049 20 0 FEADMM COc1ccc(OC(C)C)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737109707 599004691 /nfs/dbraw/zinc/00/46/91/599004691.db2.gz SHZLGBJYKSVGDQ-UHFFFAOYSA-N -1 1 354.370 2.310 20 0 FEADMM COc1ccc(OC(C)C)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737109707 599004693 /nfs/dbraw/zinc/00/46/93/599004693.db2.gz SHZLGBJYKSVGDQ-UHFFFAOYSA-N -1 1 354.370 2.310 20 0 FEADMM CC(C)c1ccccc1OCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735931738 599005512 /nfs/dbraw/zinc/00/55/12/599005512.db2.gz DFRUUVIKVLICEC-UHFFFAOYSA-N -1 1 352.398 2.194 20 0 FEADMM CC(C)c1ccccc1OCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735931738 599005514 /nfs/dbraw/zinc/00/55/14/599005514.db2.gz DFRUUVIKVLICEC-UHFFFAOYSA-N -1 1 352.398 2.194 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2)C2CCOCC2)n1 ZINC000556671520 674411443 /nfs/dbraw/zinc/41/14/43/674411443.db2.gz OGWUQJDLRGPZAV-HNNXBMFYSA-N -1 1 369.418 2.272 20 0 FEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000736699544 599078647 /nfs/dbraw/zinc/07/86/47/599078647.db2.gz LNBZJSHRLHGSCE-SNVBAGLBSA-N -1 1 357.443 2.422 20 0 FEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000736699544 599078649 /nfs/dbraw/zinc/07/86/49/599078649.db2.gz LNBZJSHRLHGSCE-SNVBAGLBSA-N -1 1 357.443 2.422 20 0 FEADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000821346606 599183449 /nfs/dbraw/zinc/18/34/49/599183449.db2.gz MTGPKKJWMWYWTL-SNVBAGLBSA-N -1 1 373.442 2.088 20 0 FEADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000821346606 599183450 /nfs/dbraw/zinc/18/34/50/599183450.db2.gz MTGPKKJWMWYWTL-SNVBAGLBSA-N -1 1 373.442 2.088 20 0 FEADMM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735648899 599182998 /nfs/dbraw/zinc/18/29/98/599182998.db2.gz IOHKZAXNGWLZGA-INIZCTEOSA-N -1 1 366.425 2.023 20 0 FEADMM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735648899 599183000 /nfs/dbraw/zinc/18/30/00/599183000.db2.gz IOHKZAXNGWLZGA-INIZCTEOSA-N -1 1 366.425 2.023 20 0 FEADMM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736239073 599228244 /nfs/dbraw/zinc/22/82/44/599228244.db2.gz FYCPGTSWJHEKRB-BCLQGDPASA-N -1 1 370.457 2.462 20 0 FEADMM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736239073 599228247 /nfs/dbraw/zinc/22/82/47/599228247.db2.gz FYCPGTSWJHEKRB-BCLQGDPASA-N -1 1 370.457 2.462 20 0 FEADMM CC(C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735752173 599236278 /nfs/dbraw/zinc/23/62/78/599236278.db2.gz YFYRTVSNGOFIDR-AWEZNQCLSA-N -1 1 353.423 2.205 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000737224757 599236523 /nfs/dbraw/zinc/23/65/23/599236523.db2.gz FSJYZLIGOWDOKJ-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000818374357 597062267 /nfs/dbraw/zinc/06/22/67/597062267.db2.gz LTYWSVBQHPOOHL-CZUORRHYSA-N -1 1 351.422 2.325 20 0 FEADMM COc1ccc([C@H](NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)C2CC2)cc1 ZINC000818583044 597084124 /nfs/dbraw/zinc/08/41/24/597084124.db2.gz PDDNQPITPSKMJZ-JLTOFOAXSA-N -1 1 360.454 2.449 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)n[nH]1 ZINC000818859055 597256155 /nfs/dbraw/zinc/25/61/55/597256155.db2.gz UYOMLOJQHIVKMV-AWEZNQCLSA-N -1 1 371.441 2.214 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)n[nH]1 ZINC000818859055 597256158 /nfs/dbraw/zinc/25/61/58/597256158.db2.gz UYOMLOJQHIVKMV-AWEZNQCLSA-N -1 1 371.441 2.214 20 0 FEADMM COc1ccc(C(=O)N(C)C)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821769636 607313016 /nfs/dbraw/zinc/31/30/16/607313016.db2.gz JJPGVQKDTFSQRO-UHFFFAOYSA-N -1 1 358.427 2.251 20 0 FEADMM O=C([O-])CCCCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000738571381 597771606 /nfs/dbraw/zinc/77/16/06/597771606.db2.gz UVLLULAZLHCWDF-UHFFFAOYSA-N -1 1 350.850 2.360 20 0 FEADMM O=C([O-])CCCCN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000821516778 597800843 /nfs/dbraw/zinc/80/08/43/597800843.db2.gz YGLPYBNRCOIQMJ-UHFFFAOYSA-N -1 1 353.850 2.151 20 0 FEADMM CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCCCC(=O)[O-] ZINC000738139304 597826331 /nfs/dbraw/zinc/82/63/31/597826331.db2.gz PRJAWUMSUKQOPF-UHFFFAOYSA-N -1 1 351.380 2.233 20 0 FEADMM CC[C@@H]1CC[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807708228 674424925 /nfs/dbraw/zinc/42/49/25/674424925.db2.gz NSSOFFKYCNDECS-YYHQMBLXSA-N -1 1 350.381 2.248 20 0 FEADMM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735797938 598260125 /nfs/dbraw/zinc/26/01/25/598260125.db2.gz AMIZHMBSISLSIG-MRXNPFEDSA-N -1 1 372.454 2.327 20 0 FEADMM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735797938 598260126 /nfs/dbraw/zinc/26/01/26/598260126.db2.gz AMIZHMBSISLSIG-MRXNPFEDSA-N -1 1 372.454 2.327 20 0 FEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737330058 598262134 /nfs/dbraw/zinc/26/21/34/598262134.db2.gz IESZNPKQLVVZEJ-MRXNPFEDSA-N -1 1 370.438 2.096 20 0 FEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737330058 598262135 /nfs/dbraw/zinc/26/21/35/598262135.db2.gz IESZNPKQLVVZEJ-MRXNPFEDSA-N -1 1 370.438 2.096 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CSCCS2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802209 674430437 /nfs/dbraw/zinc/43/04/37/674430437.db2.gz QGIMOPDNSDTEEL-NAKRPEOUSA-N -1 1 370.462 2.139 20 0 FEADMM Cc1ccc(C)c(OC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737326911 598346744 /nfs/dbraw/zinc/34/67/44/598346744.db2.gz UNZRXMKLOVAUEX-UHFFFAOYSA-N -1 1 351.414 2.321 20 0 FEADMM Cc1ccc(C)c(OC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737326911 598346746 /nfs/dbraw/zinc/34/67/46/598346746.db2.gz UNZRXMKLOVAUEX-UHFFFAOYSA-N -1 1 351.414 2.321 20 0 FEADMM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000737629021 598346813 /nfs/dbraw/zinc/34/68/13/598346813.db2.gz ZOOLGDKUZMIVJL-BQBZGAKWSA-N -1 1 367.257 2.224 20 0 FEADMM FC(F)(F)[C@H]1C[C@H](C(F)(F)F)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000737629021 598346814 /nfs/dbraw/zinc/34/68/14/598346814.db2.gz ZOOLGDKUZMIVJL-BQBZGAKWSA-N -1 1 367.257 2.224 20 0 FEADMM CC(C)[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1cccc(Cl)c1 ZINC000807993103 674437084 /nfs/dbraw/zinc/43/70/84/674437084.db2.gz XVEONRGONPMKHU-AWEZNQCLSA-N -1 1 363.849 2.103 20 0 FEADMM CCCCNC(=O)[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736455674 598578462 /nfs/dbraw/zinc/57/84/62/598578462.db2.gz CDMUTPUOPIAIFD-LLVKDONJSA-N -1 1 363.853 2.048 20 0 FEADMM CCCCNC(=O)[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736455674 598578463 /nfs/dbraw/zinc/57/84/63/598578463.db2.gz CDMUTPUOPIAIFD-LLVKDONJSA-N -1 1 363.853 2.048 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(-c2ccccc2)no1 ZINC000737201054 598607521 /nfs/dbraw/zinc/60/75/21/598607521.db2.gz PTKRFBVWFGQCKJ-UHFFFAOYSA-N -1 1 363.381 2.419 20 0 FEADMM Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737252426 598663499 /nfs/dbraw/zinc/66/34/99/598663499.db2.gz ZGQOJXQUBFKNDM-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1ccc(C(=O)NCCNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000737312703 598675444 /nfs/dbraw/zinc/67/54/44/598675444.db2.gz MMIZDDASKAJMFZ-UHFFFAOYSA-N -1 1 363.834 2.127 20 0 FEADMM Cc1ccc(C(=O)NCCNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000737312703 598675445 /nfs/dbraw/zinc/67/54/45/598675445.db2.gz MMIZDDASKAJMFZ-UHFFFAOYSA-N -1 1 363.834 2.127 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1F)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738347526 598695795 /nfs/dbraw/zinc/69/57/95/598695795.db2.gz JSBZFFLSUWTMHE-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccccc2)c(F)c1 ZINC000808341677 674454432 /nfs/dbraw/zinc/45/44/32/674454432.db2.gz XYXPICXSNUAXMS-BONVTDFDSA-N -1 1 357.378 2.374 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)ccc2Cl)c1 ZINC000557225148 674442987 /nfs/dbraw/zinc/44/29/87/674442987.db2.gz JHZFCBLPAIRRCC-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1 ZINC000808126560 674442974 /nfs/dbraw/zinc/44/29/74/674442974.db2.gz AFKDPWNVVJMTKG-UHFFFAOYSA-N -1 1 360.391 2.141 20 0 FEADMM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000557583026 674455261 /nfs/dbraw/zinc/45/52/61/674455261.db2.gz RYAUAIXXJHBFDK-AAEUAGOBSA-N -1 1 369.259 2.090 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(Cl)nc1 ZINC000737199784 598790640 /nfs/dbraw/zinc/79/06/40/598790640.db2.gz JHEYCYNESXDHPT-UHFFFAOYSA-N -1 1 373.804 2.204 20 0 FEADMM CN([C@H]1CCc2ccccc21)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821592856 599336281 /nfs/dbraw/zinc/33/62/81/599336281.db2.gz YYVWBDSGKGUOBZ-AWEZNQCLSA-N -1 1 373.413 2.314 20 0 FEADMM CN([C@H]1CCc2ccccc21)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821592856 599336284 /nfs/dbraw/zinc/33/62/84/599336284.db2.gz YYVWBDSGKGUOBZ-AWEZNQCLSA-N -1 1 373.413 2.314 20 0 FEADMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820068225 599339552 /nfs/dbraw/zinc/33/95/52/599339552.db2.gz PBRVEJJSOWZGHB-NSHDSACASA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820068225 599339554 /nfs/dbraw/zinc/33/95/54/599339554.db2.gz PBRVEJJSOWZGHB-NSHDSACASA-N -1 1 353.423 2.205 20 0 FEADMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)NC1=S ZINC000822361886 599379612 /nfs/dbraw/zinc/37/96/12/599379612.db2.gz KAWDFEZGLFUNLA-DHZHZOJOSA-N -1 1 352.379 2.030 20 0 FEADMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)NC1=S ZINC000822361886 599379614 /nfs/dbraw/zinc/37/96/14/599379614.db2.gz KAWDFEZGLFUNLA-DHZHZOJOSA-N -1 1 352.379 2.030 20 0 FEADMM O[C@@H](c1ccc(F)cc1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738386440 599435228 /nfs/dbraw/zinc/43/52/28/599435228.db2.gz KYXKRQRMLVYHAM-KRWDZBQOSA-N -1 1 354.389 2.351 20 0 FEADMM O[C@@H](c1ccc(F)cc1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738386440 599435231 /nfs/dbraw/zinc/43/52/31/599435231.db2.gz KYXKRQRMLVYHAM-KRWDZBQOSA-N -1 1 354.389 2.351 20 0 FEADMM CN(CCCNC(=O)OC(C)(C)C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736800193 599442706 /nfs/dbraw/zinc/44/27/06/599442706.db2.gz JSCVUVVIXJRLCZ-UHFFFAOYSA-N -1 1 367.841 2.266 20 0 FEADMM CN(CCCNC(=O)OC(C)(C)C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736800193 599442709 /nfs/dbraw/zinc/44/27/09/599442709.db2.gz JSCVUVVIXJRLCZ-UHFFFAOYSA-N -1 1 367.841 2.266 20 0 FEADMM Cc1ccc(N2CC[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000822240974 599589097 /nfs/dbraw/zinc/58/90/97/599589097.db2.gz HDZFIRVBPMLYHI-CYBMUJFWSA-N -1 1 369.816 2.441 20 0 FEADMM Cc1ccc(N2CC[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822240974 599589100 /nfs/dbraw/zinc/58/91/00/599589100.db2.gz HDZFIRVBPMLYHI-CYBMUJFWSA-N -1 1 369.816 2.441 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000738524244 599826134 /nfs/dbraw/zinc/82/61/34/599826134.db2.gz CNFOKSQNBOCORG-UHFFFAOYSA-N -1 1 366.377 2.328 20 0 FEADMM CN(C(=O)CSc1nc(-c2cccnc2)n[nH]1)c1ccccc1C(=O)[O-] ZINC000737324704 599831877 /nfs/dbraw/zinc/83/18/77/599831877.db2.gz ANUXRDMOMAUYKI-UHFFFAOYSA-N -1 1 369.406 2.320 20 0 FEADMM C[C@]1(C2CCCCC2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736738984 599839727 /nfs/dbraw/zinc/83/97/27/599839727.db2.gz YLKFGGRGWFDNRL-RDTXWAMCSA-N -1 1 351.447 2.164 20 0 FEADMM C[C@@]1(C2CCCCC2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736738983 599839781 /nfs/dbraw/zinc/83/97/81/599839781.db2.gz YLKFGGRGWFDNRL-KSSFIOAISA-N -1 1 351.447 2.164 20 0 FEADMM O=C([O-])C[C@H]1CCCC[N@H+]1CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000739638908 599840348 /nfs/dbraw/zinc/84/03/48/599840348.db2.gz DWANJHWCIPDMAX-PXUDHTSWSA-N -1 1 357.410 2.208 20 0 FEADMM O=C([O-])C[C@H]1CCCCN1CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000739638908 599840349 /nfs/dbraw/zinc/84/03/49/599840349.db2.gz DWANJHWCIPDMAX-PXUDHTSWSA-N -1 1 357.410 2.208 20 0 FEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCn1cc(C)cn1)CC2 ZINC000566015433 600001577 /nfs/dbraw/zinc/00/15/77/600001577.db2.gz WOLLOEMZZPBYFC-INIZCTEOSA-N -1 1 359.426 2.283 20 0 FEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736218299 600132507 /nfs/dbraw/zinc/13/25/07/600132507.db2.gz MPWCLKFLYZZMSZ-VHSXEESVSA-N -1 1 356.325 2.132 20 0 FEADMM COC(=O)c1c(C)c(C)sc1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737651024 600148321 /nfs/dbraw/zinc/14/83/21/600148321.db2.gz QCTMFLUUSGKKFM-UHFFFAOYSA-N -1 1 368.455 2.467 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1F ZINC000737367735 600190201 /nfs/dbraw/zinc/19/02/01/600190201.db2.gz DCXLMWIVFMNOGG-OAHLLOKOSA-N -1 1 363.433 2.284 20 0 FEADMM O=C([O-])[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000262702173 600250099 /nfs/dbraw/zinc/25/00/99/600250099.db2.gz ZKLFFDFWFGSXNO-MRVPVSSYSA-N -1 1 352.188 2.262 20 0 FEADMM O=C([O-])CCSCCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000739751644 600262204 /nfs/dbraw/zinc/26/22/04/600262204.db2.gz IBPDPJNWJAJNEB-UHFFFAOYSA-N -1 1 372.244 2.263 20 0 FEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736618351 600290992 /nfs/dbraw/zinc/29/09/92/600290992.db2.gz OIUFJLWWOAYSQU-JSGCOSHPSA-N -1 1 366.408 2.199 20 0 FEADMM COc1ccc([C@H](NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)C2CC2)cc1 ZINC000737960729 600291238 /nfs/dbraw/zinc/29/12/38/600291238.db2.gz OLFUGDUTULJJAY-PKOBYXMFSA-N -1 1 372.465 2.449 20 0 FEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737712257 600300737 /nfs/dbraw/zinc/30/07/37/600300737.db2.gz LVBLWIKABJULCM-UHFFFAOYSA-N -1 1 364.379 2.042 20 0 FEADMM Cc1ccc(OCC(=O)N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000738638290 600402514 /nfs/dbraw/zinc/40/25/14/600402514.db2.gz IYEQVTUDVYVCII-HXUWFJFHSA-N -1 1 368.433 2.344 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739538346 600425215 /nfs/dbraw/zinc/42/52/15/600425215.db2.gz IASGZZBHPNCOFS-MELADBBJSA-N -1 1 356.344 2.117 20 0 FEADMM C[C@H](CS[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000736616818 600595426 /nfs/dbraw/zinc/59/54/26/600595426.db2.gz MFISOCBDQVBDKP-IJEWVQPXSA-N -1 1 350.484 2.220 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000736467709 600608412 /nfs/dbraw/zinc/60/84/12/600608412.db2.gz CSELDXAJZRYEJG-FQEVSTJZSA-N -1 1 373.453 2.303 20 0 FEADMM CN(CCOc1ccc(S(C)(=O)=O)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737449553 600672272 /nfs/dbraw/zinc/67/22/72/600672272.db2.gz RWFICXRHFSARIS-KRWDZBQOSA-N -1 1 363.435 2.227 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cs1 ZINC000831348374 600672493 /nfs/dbraw/zinc/67/24/93/600672493.db2.gz GKYXEIWHBHIGLT-UHFFFAOYSA-N -1 1 361.422 2.404 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000737001418 600684940 /nfs/dbraw/zinc/68/49/40/600684940.db2.gz VLPAJHFFJVKRDB-DOTOQJQBSA-N -1 1 358.438 2.458 20 0 FEADMM O=C([O-])[C@@H](N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1F ZINC000833165684 600754283 /nfs/dbraw/zinc/75/42/83/600754283.db2.gz BPCVEXDQZFRSEI-LIRRHRJNSA-N -1 1 372.396 2.221 20 0 FEADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000828718408 600799462 /nfs/dbraw/zinc/79/94/62/600799462.db2.gz MIHYUCABWSMQLT-KUHUBIRLSA-N -1 1 362.470 2.490 20 0 FEADMM CCOCCN1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C[C@@H]1C ZINC000830011634 600825982 /nfs/dbraw/zinc/82/59/82/600825982.db2.gz KBQCNWNZDZFXGI-AWEZNQCLSA-N -1 1 370.877 2.460 20 0 FEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cccc(NC(=O)[O-])c3)[nH]c2c1 ZINC000832959171 600863847 /nfs/dbraw/zinc/86/38/47/600863847.db2.gz QNWIKJLFQMGXLK-UHFFFAOYSA-N -1 1 367.365 2.216 20 0 FEADMM CN(C(=O)CN1CCSC[C@H]1CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000830485965 601017035 /nfs/dbraw/zinc/01/70/35/601017035.db2.gz RXSKNWANSKFLMK-NVXWUHKLSA-N -1 1 362.495 2.415 20 0 FEADMM COc1ccccc1C[C@@H](C)N(C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000832608270 601025930 /nfs/dbraw/zinc/02/59/30/601025930.db2.gz QLMKGFFNNCWMQT-OAHLLOKOSA-N -1 1 362.470 2.462 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829872981 601040399 /nfs/dbraw/zinc/04/03/99/601040399.db2.gz GVETUDKKVVMIMT-MRXNPFEDSA-N -1 1 354.428 2.015 20 0 FEADMM C[C@H](CCc1cccc(F)c1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630223050 601084076 /nfs/dbraw/zinc/08/40/76/601084076.db2.gz IFDTZZHONOHIHY-HUUCEWRRSA-N -1 1 350.434 2.402 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000827356387 601090206 /nfs/dbraw/zinc/09/02/06/601090206.db2.gz QZURGTUGFGSZES-LQYUOIDQSA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H](CCc1ccccc1F)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222510 601090592 /nfs/dbraw/zinc/09/05/92/601090592.db2.gz FVAQGSIMTSHZHB-GJZGRUSLSA-N -1 1 350.434 2.402 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000832928416 601091229 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FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000830604215 601140961 /nfs/dbraw/zinc/14/09/61/601140961.db2.gz ITFXQXACNSLNLF-UHFFFAOYSA-N -1 1 354.472 2.270 20 0 FEADMM CC(C)N1CCC[C@H](N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)C1=O ZINC000826966211 601161300 /nfs/dbraw/zinc/16/13/00/601161300.db2.gz MNBBTZSBVIVDQB-QAPCUYQASA-N -1 1 359.470 2.295 20 0 FEADMM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000327421917 601240571 /nfs/dbraw/zinc/24/05/71/601240571.db2.gz GPHIQQJOIASRLY-FSNWXROXSA-N -1 1 364.467 2.033 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3ccc(C=CC(=O)[O-])cc3)[nH]c2c1 ZINC000832958799 601257747 /nfs/dbraw/zinc/25/77/47/601257747.db2.gz JZXBWBBBDHTJMU-UITAMQMPSA-N -1 1 371.418 2.448 20 0 FEADMM C[C@@H](CS(=O)(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C(=O)[O-] ZINC000828286738 601275428 /nfs/dbraw/zinc/27/54/28/601275428.db2.gz ZKHHFNURPXKKFG-DOTOQJQBSA-N -1 1 368.499 2.100 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CSc1n[nH]c(=S)s1 ZINC000833180698 601277550 /nfs/dbraw/zinc/27/75/50/601277550.db2.gz GRIBXZLDAJTHII-YIZRAAEISA-N -1 1 359.498 2.163 20 0 FEADMM Cc1nnc(-c2ccc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc2)o1 ZINC000833017212 601314952 /nfs/dbraw/zinc/31/49/52/601314952.db2.gz AFWMUUTUXLUVSP-LBPRGKRZSA-N -1 1 373.413 2.058 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nc[nH]n1 ZINC000558326805 674491592 /nfs/dbraw/zinc/49/15/92/674491592.db2.gz WOVZVTHLRNIJMQ-BYPYZUCNSA-N -1 1 371.669 2.322 20 0 FEADMM O=C([O-])c1nn(CN2CCC(OC[C@H]3CCCO3)CC2)c2ccccc21 ZINC000833347031 601342945 /nfs/dbraw/zinc/34/29/45/601342945.db2.gz RMYVSUXISRJQPJ-OAHLLOKOSA-N -1 1 359.426 2.352 20 0 FEADMM COc1cc2c(cc1CNC(=O)c1ccc(-c3nnn[n-]3)s1)O[C@H](C)C2 ZINC000821727580 607502420 /nfs/dbraw/zinc/50/24/20/607502420.db2.gz KVWPIMCHXUOQSE-SECBINFHSA-N -1 1 371.422 2.190 20 0 FEADMM COc1cc2c(cc1CNC(=O)c1ccc(-c3nn[n-]n3)s1)O[C@H](C)C2 ZINC000821727580 607502421 /nfs/dbraw/zinc/50/24/21/607502421.db2.gz KVWPIMCHXUOQSE-SECBINFHSA-N -1 1 371.422 2.190 20 0 FEADMM C[C@H]1CCc2c(sc(NC(=O)CN(C)C[C@@H]3CCOC3)c2C(=O)[O-])C1 ZINC000828311182 601383744 /nfs/dbraw/zinc/38/37/44/601383744.db2.gz UVDANRLVXWRIEC-RYUDHWBXSA-N -1 1 366.483 2.478 20 0 FEADMM CN(Cc1nccn1Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825985979 607504976 /nfs/dbraw/zinc/50/49/76/607504976.db2.gz JKGHDNPAKFCLFK-UHFFFAOYSA-N -1 1 360.425 2.139 20 0 FEADMM CCO[C@@H](C)c1nc(CN(C)Cc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000825576533 607505165 /nfs/dbraw/zinc/50/51/65/607505165.db2.gz JIBUCCXZVKSRQN-NSHDSACASA-N -1 1 359.459 2.448 20 0 FEADMM CCO[C@@H](C)c1nc(CN(C)Cc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000825576533 607505167 /nfs/dbraw/zinc/50/51/67/607505167.db2.gz JIBUCCXZVKSRQN-NSHDSACASA-N -1 1 359.459 2.448 20 0 FEADMM C[C@@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)N1CCc2ccccc2C1 ZINC000827476684 601410460 /nfs/dbraw/zinc/41/04/60/601410460.db2.gz DOEKNKIOSYFHOE-HNNXBMFYSA-N -1 1 359.470 2.377 20 0 FEADMM COC(=O)c1sc(NC(=O)CN2CC[C@H](C(C)C)C2)c(C(=O)[O-])c1C ZINC000831475200 601497466 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FEADMM Cc1cc(CC(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])[nH]n1 ZINC000832882815 601683353 /nfs/dbraw/zinc/68/33/53/601683353.db2.gz CRJHQRGYPCODHB-MRXNPFEDSA-N -1 1 351.406 2.474 20 0 FEADMM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cn1 ZINC000827058561 601836500 /nfs/dbraw/zinc/83/65/00/601836500.db2.gz JXLDBAYGAMGDJI-UHFFFAOYSA-N -1 1 371.802 2.416 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833004691 601849896 /nfs/dbraw/zinc/84/98/96/601849896.db2.gz USDBJWBXPNZPCP-UHFFFAOYSA-N -1 1 358.329 2.070 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827694162 601878123 /nfs/dbraw/zinc/87/81/23/601878123.db2.gz CYFRJVIMKXEAIJ-SECBINFHSA-N -1 1 370.340 2.157 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000828020775 601913904 /nfs/dbraw/zinc/91/39/04/601913904.db2.gz WCMLEFMJUUXJKZ-AUUYWEPGSA-N -1 1 371.393 2.347 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000828024258 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367.413 2.071 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2OCCc3ccccc32)n1 ZINC000824148429 607540135 /nfs/dbraw/zinc/54/01/35/607540135.db2.gz UNZDDSZBFFGCFX-CQSZACIVSA-N -1 1 367.413 2.071 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000739582788 602054031 /nfs/dbraw/zinc/05/40/31/602054031.db2.gz NGQFJAMKLWLZBY-CABCVRRESA-N -1 1 364.446 2.200 20 0 FEADMM C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915817 602096799 /nfs/dbraw/zinc/09/67/99/602096799.db2.gz IMZUFOYTGFXUEK-CVEARBPZSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1[nH]ncc1C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)[O-])CC2)cc1 ZINC000740029860 602098410 /nfs/dbraw/zinc/09/84/10/602098410.db2.gz FQSIDTUNIYMGHB-UHFFFAOYSA-N -1 1 372.381 2.270 20 0 FEADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC2(CCC2)C1 ZINC000833105062 602240777 /nfs/dbraw/zinc/24/07/77/602240777.db2.gz IAYJHLGGBYFDHG-KRWDZBQOSA-N -1 1 355.438 2.156 20 0 FEADMM CC1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000828284022 602297373 /nfs/dbraw/zinc/29/73/73/602297373.db2.gz AOJKMZVTTSQWFC-HNNXBMFYSA-N -1 1 369.259 2.423 20 0 FEADMM CN(C)CCN(C1CCCC1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000391952007 602301104 /nfs/dbraw/zinc/30/11/04/602301104.db2.gz UJLFCCCCDQDWGE-UHFFFAOYSA-N -1 1 354.472 2.021 20 0 FEADMM COC[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C1CC1 ZINC000826150983 607563254 /nfs/dbraw/zinc/56/32/54/607563254.db2.gz QNQRASJOSQSGSF-ZDUSSCGKSA-N -1 1 374.470 2.016 20 0 FEADMM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000740061369 602434221 /nfs/dbraw/zinc/43/42/21/602434221.db2.gz XMKAVVOIMJIOKP-CVEARBPZSA-N -1 1 350.459 2.374 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CCCN2C[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739921743 602451914 /nfs/dbraw/zinc/45/19/14/602451914.db2.gz SKILVZZORNPGDH-YOEHRIQHSA-N -1 1 361.442 2.488 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccsc1 ZINC000737951557 602542020 /nfs/dbraw/zinc/54/20/20/602542020.db2.gz UKRRPVHXNFVBCT-CQSZACIVSA-N -1 1 354.476 2.135 20 0 FEADMM O=S(=O)(Oc1ccccc1Cl)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826494362 607573042 /nfs/dbraw/zinc/57/30/42/607573042.db2.gz ZDSZTWUYJKJZKG-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1ccccc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826494362 607573044 /nfs/dbraw/zinc/57/30/44/607573044.db2.gz ZDSZTWUYJKJZKG-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1cccs1 ZINC000737950662 602561886 /nfs/dbraw/zinc/56/18/86/602561886.db2.gz MXHNHANSFQSAPZ-ZDUSSCGKSA-N -1 1 354.476 2.135 20 0 FEADMM Cc1[nH]ncc1CCCNC(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000740031909 602611262 /nfs/dbraw/zinc/61/12/62/602611262.db2.gz RBKGMVGQVIKGTO-OAHLLOKOSA-N -1 1 351.451 2.166 20 0 FEADMM C[C@@H](CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738913828 602618364 /nfs/dbraw/zinc/61/83/64/602618364.db2.gz BALRUMUPEKXSOT-JKSUJKDBSA-N -1 1 374.485 2.075 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739136536 602815713 /nfs/dbraw/zinc/81/57/13/602815713.db2.gz OBCFFPJTZIBJPV-XBFCOCLRSA-N -1 1 354.476 2.038 20 0 FEADMM C[C@H]1CCN(Cc2cn(C(C)(C)C)nn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809769288 674509073 /nfs/dbraw/zinc/50/90/73/674509073.db2.gz JPUIQIZJFLCTED-GVXVVHGQSA-N -1 1 361.412 2.311 20 0 FEADMM C[C@@H]1CN(C[C@@H](O)COCc2ccccc2Cl)C[C@H](C)N1C(=O)[O-] ZINC000739178841 602873843 /nfs/dbraw/zinc/87/38/43/602873843.db2.gz KPIFRUSKWSAUFE-VNHYZAJKSA-N -1 1 356.850 2.290 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826282754 607591922 /nfs/dbraw/zinc/59/19/22/607591922.db2.gz BUTKTFXKXACUOS-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM CC1CCC(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824907010 607595277 /nfs/dbraw/zinc/59/52/77/607595277.db2.gz GQGVJAVSHJBFFV-UHFFFAOYSA-N -1 1 353.423 2.110 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(-c2cccs2)[nH]n1 ZINC000826467097 607601397 /nfs/dbraw/zinc/60/13/97/607601397.db2.gz HDHDJINSMJLHLE-UHFFFAOYSA-N -1 1 353.367 2.070 20 0 FEADMM O=C([O-])N[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 ZINC000740538916 603026853 /nfs/dbraw/zinc/02/68/53/603026853.db2.gz RXOGDXAMOORPBB-INIZCTEOSA-N -1 1 351.362 2.267 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000558775298 674515366 /nfs/dbraw/zinc/51/53/66/674515366.db2.gz QRPDXMAQIRVZIC-CLLJXQQHSA-N -1 1 359.444 2.328 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]nc1C1CCCCC1 ZINC000826467155 607606322 /nfs/dbraw/zinc/60/63/22/607606322.db2.gz JIDVNRAXUOMSEV-UHFFFAOYSA-N -1 1 353.386 2.390 20 0 FEADMM C[C@](CNC(=O)[O-])(NC(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000738924321 603096722 /nfs/dbraw/zinc/09/67/22/603096722.db2.gz JZGHYPDJFKRCTN-LJQANCHMSA-N -1 1 354.410 2.413 20 0 FEADMM COCCN(CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000739821643 603102424 /nfs/dbraw/zinc/10/24/24/603102424.db2.gz DLBMIERHUQLDBS-VIFPVBQESA-N -1 1 354.794 2.020 20 0 FEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000832513288 603135626 /nfs/dbraw/zinc/13/56/26/603135626.db2.gz IUIZALSMARKADD-QPUJVOFHSA-N -1 1 366.361 2.209 20 0 FEADMM Nc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cccc1C(F)(F)F ZINC000826395476 607609541 /nfs/dbraw/zinc/60/95/41/607609541.db2.gz DPBOLVFOLRAUJT-UHFFFAOYSA-N -1 1 364.287 2.220 20 0 FEADMM Nc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cccc1C(F)(F)F ZINC000826395476 607609542 /nfs/dbraw/zinc/60/95/42/607609542.db2.gz DPBOLVFOLRAUJT-UHFFFAOYSA-N -1 1 364.287 2.220 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(-c2ccncc2)s1 ZINC000826467488 607609865 /nfs/dbraw/zinc/60/98/65/607609865.db2.gz YHGORBQWKLJMTP-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(-c2ccncc2)s1 ZINC000826467488 607609867 /nfs/dbraw/zinc/60/98/67/607609867.db2.gz YHGORBQWKLJMTP-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM O=C(CN(C1CC1)C1CCN(C(=O)[O-])CC1)Nc1nc2c(s1)CCC2 ZINC000740366155 603247764 /nfs/dbraw/zinc/24/77/64/603247764.db2.gz NKLSOJQSPULQMV-UHFFFAOYSA-N -1 1 364.471 2.177 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000738558985 603256878 /nfs/dbraw/zinc/25/68/78/603256878.db2.gz DCFVNGRIYZRZLN-CABCVRRESA-N -1 1 364.446 2.167 20 0 FEADMM O=S(=O)(N[C@@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488827 607620762 /nfs/dbraw/zinc/62/07/62/607620762.db2.gz ZVLHCIAUEUKWCQ-SNVBAGLBSA-N -1 1 373.360 2.273 20 0 FEADMM CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353572 603337236 /nfs/dbraw/zinc/33/72/36/603337236.db2.gz KDRJOMFIDKSSNU-CYBMUJFWSA-N -1 1 365.478 2.120 20 0 FEADMM C[C@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739173933 603414864 /nfs/dbraw/zinc/41/48/64/603414864.db2.gz NKAJDWFFGMFBTR-GOEBONIOSA-N -1 1 365.499 2.263 20 0 FEADMM CCN(CC1CCN(CC(=O)NCCc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000827092311 603509919 /nfs/dbraw/zinc/50/99/19/603509919.db2.gz ABMBFKGZSKTHIC-UHFFFAOYSA-N -1 1 365.449 2.196 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1ccsc1 ZINC000828138190 603524578 /nfs/dbraw/zinc/52/45/78/603524578.db2.gz UGCUJHBOQYGWCH-CYBMUJFWSA-N -1 1 356.492 2.286 20 0 FEADMM CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000824399380 603535530 /nfs/dbraw/zinc/53/55/30/603535530.db2.gz NVUPAFZTVAVUMX-UHFFFAOYSA-N -1 1 365.430 2.101 20 0 FEADMM O=C([O-])N[C@@H](C(=O)N1CCC(c2nc[nH]n2)CC1)c1cccc(Cl)c1 ZINC000832093381 603566351 /nfs/dbraw/zinc/56/63/51/603566351.db2.gz NMQQWNBIVWQKLV-CYBMUJFWSA-N -1 1 363.805 2.173 20 0 FEADMM COc1ccc([C@@H](CNC(=O)C(C)(C)CNC(=O)[O-])N2CCCC2)cc1 ZINC000829312298 603616391 /nfs/dbraw/zinc/61/63/91/603616391.db2.gz TWGJQWVIPAVIRL-MRXNPFEDSA-N -1 1 363.458 2.242 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)Nc1ccn(-c2ccncc2)n1)Cc1ccccc1 ZINC000832113860 603617271 /nfs/dbraw/zinc/61/72/71/603617271.db2.gz MDYTZAAJDHCHFZ-OAHLLOKOSA-N -1 1 365.393 2.475 20 0 FEADMM CCc1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825722490 607641285 /nfs/dbraw/zinc/64/12/85/607641285.db2.gz IEYFMLSFXKKPAK-UHFFFAOYSA-N -1 1 361.402 2.047 20 0 FEADMM COc1ccc(NC(=O)CCSc2nnc(C)[nH]2)cc1NC(=O)[O-] ZINC000829453484 603656708 /nfs/dbraw/zinc/65/67/08/603656708.db2.gz HOKYHQPDELRUIZ-UHFFFAOYSA-N -1 1 351.388 2.333 20 0 FEADMM O=S(=O)(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488639 607647984 /nfs/dbraw/zinc/64/79/84/607647984.db2.gz VGICKMAJRWEDAN-DGCLKSJQSA-N -1 1 365.434 2.253 20 0 FEADMM O=S(=O)(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488639 607647985 /nfs/dbraw/zinc/64/79/85/607647985.db2.gz VGICKMAJRWEDAN-DGCLKSJQSA-N -1 1 365.434 2.253 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-])c1cccc(F)c1 ZINC000827994480 603887313 /nfs/dbraw/zinc/88/73/13/603887313.db2.gz LEIFLUWHQHBNQH-FVQBIDKESA-N -1 1 366.437 2.164 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000825458008 603938661 /nfs/dbraw/zinc/93/86/61/603938661.db2.gz FERRFJJQPOVIJH-SNVBAGLBSA-N -1 1 367.365 2.410 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000828793868 604019333 /nfs/dbraw/zinc/01/93/33/604019333.db2.gz PJUBWSUQMLQXNA-TZMCWYRMSA-N -1 1 360.414 2.149 20 0 FEADMM Cc1cccnc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830594863 604066509 /nfs/dbraw/zinc/06/65/09/604066509.db2.gz FUKMYQWBAMOYLI-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM Cc1cccnc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830594863 604066513 /nfs/dbraw/zinc/06/65/13/604066513.db2.gz FUKMYQWBAMOYLI-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827161088 604098383 /nfs/dbraw/zinc/09/83/83/604098383.db2.gz BSTRMTKVJPNPQI-INIZCTEOSA-N -1 1 351.422 2.248 20 0 FEADMM CC(C)CN1CCO[C@H](COC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000824263310 604157896 /nfs/dbraw/zinc/15/78/96/604157896.db2.gz QQVCWDHGMRLTHK-HMQMGEFJSA-N -1 1 368.474 2.198 20 0 FEADMM CCOc1cccc(CNC(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000827448104 604164788 /nfs/dbraw/zinc/16/47/88/604164788.db2.gz IQIJZFVQHZVKCR-ZBFHGGJFSA-N -1 1 363.458 2.070 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)n[nH]2)cc1 ZINC000538504902 604278982 /nfs/dbraw/zinc/27/89/82/604278982.db2.gz WGXSPMJSXIVPPV-HNNXBMFYSA-N -1 1 373.409 2.181 20 0 FEADMM C[C@@H](CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826057876 604297044 /nfs/dbraw/zinc/29/70/44/604297044.db2.gz KRIKTGUCGPTWSZ-HZMVEIRTSA-N -1 1 369.506 2.018 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1OC ZINC000831902606 604348699 /nfs/dbraw/zinc/34/86/99/604348699.db2.gz CIOGCVQBHPBTOY-LLVKDONJSA-N -1 1 360.370 2.324 20 0 FEADMM Cc1nnc(SCCC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)[nH]1 ZINC000830893054 604452181 /nfs/dbraw/zinc/45/21/81/604452181.db2.gz JEBOSCAVKIOCHZ-JTQLQIEISA-N -1 1 363.443 2.240 20 0 FEADMM O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000831393692 604635278 /nfs/dbraw/zinc/63/52/78/604635278.db2.gz JTPMGHJNMYOBNK-SWLSCSKDSA-N -1 1 374.397 2.122 20 0 FEADMM C[C@@H](Oc1ccc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1)C(=O)[O-] ZINC000833537523 604644907 /nfs/dbraw/zinc/64/49/07/604644907.db2.gz KQNNTQMSVHOVDW-RISCZKNCSA-N -1 1 374.359 2.134 20 0 FEADMM C/C(=C\CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N)C(=O)[O-] ZINC000825793269 604756769 /nfs/dbraw/zinc/75/67/69/604756769.db2.gz PWZYZBJVTJZRMG-JXMROGBWSA-N -1 1 356.411 2.172 20 0 FEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000833623230 604784225 /nfs/dbraw/zinc/78/42/25/604784225.db2.gz JBISELHAFNUMLR-BFYDXBDKSA-N -1 1 360.454 2.028 20 0 FEADMM CCOc1ccccc1Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825654017 607715974 /nfs/dbraw/zinc/71/59/74/607715974.db2.gz MTBVPKYDVXLRCB-UHFFFAOYSA-N -1 1 362.393 2.332 20 0 FEADMM Cc1ccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000826292113 607717993 /nfs/dbraw/zinc/71/79/93/607717993.db2.gz IPSCDEIFVVYVAX-UHFFFAOYSA-N -1 1 362.393 2.272 20 0 FEADMM CC(C)[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)N1C[C@@H](C)O[C@H](C)C1 ZINC000833621906 604869647 /nfs/dbraw/zinc/86/96/47/604869647.db2.gz KNWPFBPANMCBAE-XHBSWPGZSA-N -1 1 374.441 2.333 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000833549899 604935561 /nfs/dbraw/zinc/93/55/61/604935561.db2.gz IBMXYYGEFLFYDR-WMLDXEAASA-N -1 1 360.458 2.256 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000833549926 604940778 /nfs/dbraw/zinc/94/07/78/604940778.db2.gz IRYIHGCDOJTFGI-ZDUSSCGKSA-N -1 1 354.410 2.130 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000326877593 604946162 /nfs/dbraw/zinc/94/61/62/604946162.db2.gz ZAKKBAFFZMXNOA-HNNXBMFYSA-N -1 1 364.467 2.155 20 0 FEADMM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CCC[C@@H]1CC(=O)[O-])C2=O ZINC000828156479 604980344 /nfs/dbraw/zinc/98/03/44/604980344.db2.gz LLZFUCSMVAZYRU-SNUQEOBHSA-N -1 1 351.447 2.020 20 0 FEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833611606 605026584 /nfs/dbraw/zinc/02/65/84/605026584.db2.gz OCLIECLAIGTXPT-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1cccs1 ZINC000833627142 605052100 /nfs/dbraw/zinc/05/21/00/605052100.db2.gz UQVGXDPWPLNMOD-CYBMUJFWSA-N -1 1 353.488 2.216 20 0 FEADMM CC(=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1OC(F)F ZINC000833383103 605080271 /nfs/dbraw/zinc/08/02/71/605080271.db2.gz RMQANQRAFJZIAF-HKBVPSITSA-N -1 1 365.336 2.227 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000833625026 605096370 /nfs/dbraw/zinc/09/63/70/605096370.db2.gz VSXLNAHLHUUJQG-DAXOMENPSA-N -1 1 350.846 2.451 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000833626937 605103354 /nfs/dbraw/zinc/10/33/54/605103354.db2.gz SQBYMGRITFCICU-MAUKXSAKSA-N -1 1 360.454 2.202 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833540991 605104407 /nfs/dbraw/zinc/10/44/07/605104407.db2.gz OZNALWCJDFILHU-OLZOCXBDSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCSCc1ccccc1 ZINC000833621993 605134950 /nfs/dbraw/zinc/13/49/50/605134950.db2.gz DCOYCXIHOVILJX-HNNXBMFYSA-N -1 1 365.499 2.110 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C[C@H]1C ZINC000833655337 605159973 /nfs/dbraw/zinc/15/99/73/605159973.db2.gz DCDNQNTYXBLEQY-NEPJUHHUSA-N -1 1 365.430 2.348 20 0 FEADMM C[C@](CNC(=O)[O-])(NCC(=O)Nc1nc(-c2ccco2)cs1)C1CC1 ZINC000824952171 605164002 /nfs/dbraw/zinc/16/40/02/605164002.db2.gz LFLSFIHNFONEJK-MRXNPFEDSA-N -1 1 364.427 2.368 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000833624640 605221223 /nfs/dbraw/zinc/22/12/23/605221223.db2.gz VQKRYJXXRMLLDC-ZDUSSCGKSA-N -1 1 366.408 2.394 20 0 FEADMM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2cnccc2C)cc(C(=O)[O-])c1 ZINC000833714696 605271646 /nfs/dbraw/zinc/27/16/46/605271646.db2.gz JCSZDPFQSROPRD-LBPRGKRZSA-N -1 1 371.393 2.164 20 0 FEADMM C[C@@H]1CN(C(=O)/C=C/c2nc3ccccc3s2)CCN1CCC(=O)[O-] ZINC000833619848 605276599 /nfs/dbraw/zinc/27/65/99/605276599.db2.gz VTJMRPMGDOTQKO-KTRBRXNASA-N -1 1 359.451 2.317 20 0 FEADMM COc1ccc(C)cc1CN1CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)CC1 ZINC000833730934 605321676 /nfs/dbraw/zinc/32/16/76/605321676.db2.gz POBUZBXNNNJOEP-QGZVFWFLSA-N -1 1 360.454 2.269 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])[nH]n1 ZINC000831031473 605337517 /nfs/dbraw/zinc/33/75/17/605337517.db2.gz QEAIGZYIJWFMBR-CYBMUJFWSA-N -1 1 368.397 2.018 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])[nH]n1 ZINC000831031185 605337581 /nfs/dbraw/zinc/33/75/81/605337581.db2.gz LJRCFGSKHPTPQH-VXGBXAGGSA-N -1 1 360.418 2.355 20 0 FEADMM CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC000833677623 605359635 /nfs/dbraw/zinc/35/96/35/605359635.db2.gz WYNFPRZEGBMKAQ-RFAUZJTJSA-N -1 1 352.797 2.363 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000833995874 605414039 /nfs/dbraw/zinc/41/40/39/605414039.db2.gz UZNWSSDEWKXWQH-KRWDZBQOSA-N -1 1 360.458 2.085 20 0 FEADMM Cn1c(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)nnc1-c1ccccc1 ZINC000833941427 605445804 /nfs/dbraw/zinc/44/58/04/605445804.db2.gz LOMXXYUXHJQXON-JYJNAYRXSA-N -1 1 355.442 2.350 20 0 FEADMM COCCCOc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826156930 607758606 /nfs/dbraw/zinc/75/86/06/607758606.db2.gz AFOYVPAWQWQRIU-UHFFFAOYSA-N -1 1 373.438 2.274 20 0 FEADMM COCCCOc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826156930 607758607 /nfs/dbraw/zinc/75/86/07/607758607.db2.gz AFOYVPAWQWQRIU-UHFFFAOYSA-N -1 1 373.438 2.274 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000833907254 605558819 /nfs/dbraw/zinc/55/88/19/605558819.db2.gz FAXSMWJMIHINGA-CABCVRRESA-N -1 1 365.499 2.181 20 0 FEADMM O=C([O-])Nc1ccc(F)c(NS(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000834260901 605748605 /nfs/dbraw/zinc/74/86/05/605748605.db2.gz BPTTXQFVXXMSLH-UHFFFAOYSA-N -1 1 354.363 2.249 20 0 FEADMM O=C([O-])N[C@@H]1C[C@H](NCC(=O)NCCc2ccccc2)c2ccccc21 ZINC000834159558 605808837 /nfs/dbraw/zinc/80/88/37/605808837.db2.gz QKEJDMUKUJDTSR-ZWKOTPCHSA-N -1 1 353.422 2.389 20 0 FEADMM O=C([O-])N1CC[C@@H](NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000831954049 605860144 /nfs/dbraw/zinc/86/01/44/605860144.db2.gz XNVLDYWALHONHW-YPMHNXCESA-N -1 1 352.740 2.432 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000833831035 605890457 /nfs/dbraw/zinc/89/04/57/605890457.db2.gz MIAGWZMTEHRIEO-MNOVXSKESA-N -1 1 359.879 2.338 20 0 FEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000834049193 605919690 /nfs/dbraw/zinc/91/96/90/605919690.db2.gz MZTFEMNGHIVJQU-ZDUSSCGKSA-N -1 1 373.388 2.007 20 0 FEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000834049193 605919695 /nfs/dbraw/zinc/91/96/95/605919695.db2.gz MZTFEMNGHIVJQU-ZDUSSCGKSA-N -1 1 373.388 2.007 20 0 FEADMM O=C([O-])NC[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000834206720 605965111 /nfs/dbraw/zinc/96/51/11/605965111.db2.gz NLOYDNXKDPMPEJ-IAGOWNOFSA-N -1 1 362.451 2.315 20 0 FEADMM O=C([O-])NC1(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCCCC1 ZINC000834150803 606092095 /nfs/dbraw/zinc/09/20/95/606092095.db2.gz BMOQIAAUDPWJSC-ZDUSSCGKSA-N -1 1 361.446 2.359 20 0 FEADMM C[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2)N1CCCCCC1 ZINC000833788959 606105971 /nfs/dbraw/zinc/10/59/71/606105971.db2.gz FCRXNNLGBDUSHS-ZFWWWQNUSA-N -1 1 360.458 2.410 20 0 FEADMM Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822293610 606134389 /nfs/dbraw/zinc/13/43/89/606134389.db2.gz DTNKBUAWADETKX-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822293610 606134391 /nfs/dbraw/zinc/13/43/91/606134391.db2.gz DTNKBUAWADETKX-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821896756 606136556 /nfs/dbraw/zinc/13/65/56/606136556.db2.gz AUCQFICDSZJSJG-SECBINFHSA-N -1 1 373.394 2.121 20 0 FEADMM COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821896756 606136558 /nfs/dbraw/zinc/13/65/58/606136558.db2.gz AUCQFICDSZJSJG-SECBINFHSA-N -1 1 373.394 2.121 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000822609498 606170329 /nfs/dbraw/zinc/17/03/29/606170329.db2.gz OHTHFHPGQDXBNP-GOSISDBHSA-N -1 1 366.429 2.186 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000822609498 606170331 /nfs/dbraw/zinc/17/03/31/606170331.db2.gz OHTHFHPGQDXBNP-GOSISDBHSA-N -1 1 366.429 2.186 20 0 FEADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820716315 606171601 /nfs/dbraw/zinc/17/16/01/606171601.db2.gz IRTGRFBDMAEUGS-QMTHXVAHSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820716315 606171603 /nfs/dbraw/zinc/17/16/03/606171603.db2.gz IRTGRFBDMAEUGS-QMTHXVAHSA-N -1 1 370.392 2.354 20 0 FEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820920018 606172417 /nfs/dbraw/zinc/17/24/17/606172417.db2.gz IYTDIMIXCAJRKU-GFCCVEGCSA-N -1 1 362.344 2.151 20 0 FEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820920018 606172418 /nfs/dbraw/zinc/17/24/18/606172418.db2.gz IYTDIMIXCAJRKU-GFCCVEGCSA-N -1 1 362.344 2.151 20 0 FEADMM CN(C)c1cccnc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000810082525 674530584 /nfs/dbraw/zinc/53/05/84/674530584.db2.gz SGEOLTDCANYTNK-UHFFFAOYSA-N -1 1 361.254 2.328 20 0 FEADMM Clc1ccc(N2CCC(OC[C@H]3CCCO3)CC2)nc1-c1nnn[n-]1 ZINC000822574173 606230712 /nfs/dbraw/zinc/23/07/12/606230712.db2.gz PKNSLZBFVMDNQI-GFCCVEGCSA-N -1 1 364.837 2.080 20 0 FEADMM Clc1ccc(N2CCC(OC[C@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC000822574173 606230713 /nfs/dbraw/zinc/23/07/13/606230713.db2.gz PKNSLZBFVMDNQI-GFCCVEGCSA-N -1 1 364.837 2.080 20 0 FEADMM CN(C)c1ccc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821589490 606292792 /nfs/dbraw/zinc/29/27/92/606292792.db2.gz PPVMGPBMWLDNLT-UHFFFAOYSA-N -1 1 352.398 2.210 20 0 FEADMM COc1ccccc1C1=NC(=Cc2ccc(-c3nn[n-]n3)s2)C(=O)O1 ZINC000821890254 606392353 /nfs/dbraw/zinc/39/23/53/606392353.db2.gz LBRDCKKGZKBHKA-DHZHZOJOSA-N -1 1 353.363 2.281 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)NC(=S)N1C1CCCCC1 ZINC000823503894 606394610 /nfs/dbraw/zinc/39/46/10/606394610.db2.gz KGXRYVZKPBVCII-DHZHZOJOSA-N -1 1 360.468 2.319 20 0 FEADMM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Nc1ccc(F)c(F)c1 ZINC000823014829 606441378 /nfs/dbraw/zinc/44/13/78/606441378.db2.gz VDHRCTSUNHPJLT-UHFFFAOYSA-N -1 1 365.731 2.244 20 0 FEADMM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Nc1ccc(F)c(F)c1 ZINC000823014829 606441381 /nfs/dbraw/zinc/44/13/81/606441381.db2.gz VDHRCTSUNHPJLT-UHFFFAOYSA-N -1 1 365.731 2.244 20 0 FEADMM Cc1nc(C[C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)no1 ZINC000822435988 606462829 /nfs/dbraw/zinc/46/28/29/606462829.db2.gz DTIMSJXNRSYKKI-JTQLQIEISA-N -1 1 360.809 2.066 20 0 FEADMM Cc1nc(C[C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)no1 ZINC000822435988 606462831 /nfs/dbraw/zinc/46/28/31/606462831.db2.gz DTIMSJXNRSYKKI-JTQLQIEISA-N -1 1 360.809 2.066 20 0 FEADMM COc1cc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1 ZINC000821712682 606505948 /nfs/dbraw/zinc/50/59/48/606505948.db2.gz LBQWCYPFWOJVRB-UHFFFAOYSA-N -1 1 359.411 2.218 20 0 FEADMM COc1cc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1 ZINC000821712682 606505950 /nfs/dbraw/zinc/50/59/50/606505950.db2.gz LBQWCYPFWOJVRB-UHFFFAOYSA-N -1 1 359.411 2.218 20 0 FEADMM O=C(Nc1cccc(Cl)c1-n1cncn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363613 606507521 /nfs/dbraw/zinc/50/75/21/606507521.db2.gz JBKNXCLMGGYTMQ-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(Nc1cccc(Cl)c1-n1cncn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363613 606507522 /nfs/dbraw/zinc/50/75/22/606507522.db2.gz JBKNXCLMGGYTMQ-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823435845 606519500 /nfs/dbraw/zinc/51/95/00/606519500.db2.gz BIOSPFREQSFLLY-UHFFFAOYSA-N -1 1 373.756 2.043 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823435845 606519501 /nfs/dbraw/zinc/51/95/01/606519501.db2.gz BIOSPFREQSFLLY-UHFFFAOYSA-N -1 1 373.756 2.043 20 0 FEADMM Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822197886 606553683 /nfs/dbraw/zinc/55/36/83/606553683.db2.gz SSOVHBAQSGASPX-ZDUSSCGKSA-N -1 1 371.470 2.436 20 0 FEADMM Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822197886 606553685 /nfs/dbraw/zinc/55/36/85/606553685.db2.gz SSOVHBAQSGASPX-ZDUSSCGKSA-N -1 1 371.470 2.436 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000822352188 606573824 /nfs/dbraw/zinc/57/38/24/606573824.db2.gz VYQUTYAMHHEBIF-CYBMUJFWSA-N -1 1 355.423 2.450 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000822352188 606573826 /nfs/dbraw/zinc/57/38/26/606573826.db2.gz VYQUTYAMHHEBIF-CYBMUJFWSA-N -1 1 355.423 2.450 20 0 FEADMM CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000820202675 606575462 /nfs/dbraw/zinc/57/54/62/606575462.db2.gz IYJGTWHZHBPADX-VIFPVBQESA-N -1 1 359.415 2.412 20 0 FEADMM CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000820202675 606575463 /nfs/dbraw/zinc/57/54/63/606575463.db2.gz IYJGTWHZHBPADX-VIFPVBQESA-N -1 1 359.415 2.412 20 0 FEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000821310121 606598787 /nfs/dbraw/zinc/59/87/87/606598787.db2.gz WZBMOKQRHDWFMG-UHFFFAOYSA-N -1 1 358.427 2.408 20 0 FEADMM O=C(OCc1ccc(-n2ccnc2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823422638 606643938 /nfs/dbraw/zinc/64/39/38/606643938.db2.gz ZKORSKBKOIRQSF-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822224860 606647236 /nfs/dbraw/zinc/64/72/36/606647236.db2.gz CTYYJWQJOPBZOC-UHFFFAOYSA-N -1 1 351.366 2.276 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822224860 606647237 /nfs/dbraw/zinc/64/72/37/606647237.db2.gz CTYYJWQJOPBZOC-UHFFFAOYSA-N -1 1 351.366 2.276 20 0 FEADMM O=C(C[C@H]1CCOc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945809 606649645 /nfs/dbraw/zinc/64/96/45/606649645.db2.gz RKQHYILKXAWPRC-CYBMUJFWSA-N -1 1 351.366 2.261 20 0 FEADMM O=C(C[C@H]1CCOc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945809 606649646 /nfs/dbraw/zinc/64/96/46/606649646.db2.gz RKQHYILKXAWPRC-CYBMUJFWSA-N -1 1 351.366 2.261 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cn1 ZINC000823435839 606650101 /nfs/dbraw/zinc/65/01/01/606650101.db2.gz BGYXBNUZMRPVIM-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cn1 ZINC000823435839 606650102 /nfs/dbraw/zinc/65/01/02/606650102.db2.gz BGYXBNUZMRPVIM-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821863539 606651328 /nfs/dbraw/zinc/65/13/28/606651328.db2.gz MQJYUSYROTZIGJ-LSDHHAIUSA-N -1 1 351.366 2.117 20 0 FEADMM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821863539 606651329 /nfs/dbraw/zinc/65/13/29/606651329.db2.gz MQJYUSYROTZIGJ-LSDHHAIUSA-N -1 1 351.366 2.117 20 0 FEADMM Cc1cc(C)cc(OCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822197992 606652568 /nfs/dbraw/zinc/65/25/68/606652568.db2.gz YDFVRYCTMCHHAP-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM Cc1cc(C)cc(OCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822197992 606652569 /nfs/dbraw/zinc/65/25/69/606652569.db2.gz YDFVRYCTMCHHAP-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(F)cc2F)n1 ZINC000819971248 606683932 /nfs/dbraw/zinc/68/39/32/606683932.db2.gz GHMBEPDKTUGSHY-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(F)cc2F)n1 ZINC000819971248 606683933 /nfs/dbraw/zinc/68/39/33/606683933.db2.gz GHMBEPDKTUGSHY-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823363596 606692949 /nfs/dbraw/zinc/69/29/49/606692949.db2.gz IAHBZLFHHRJAJI-UHFFFAOYSA-N -1 1 374.364 2.441 20 0 FEADMM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823363596 606692950 /nfs/dbraw/zinc/69/29/50/606692950.db2.gz IAHBZLFHHRJAJI-UHFFFAOYSA-N -1 1 374.364 2.441 20 0 FEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820735907 606803305 /nfs/dbraw/zinc/80/33/05/606803305.db2.gz VMMHIFWEXOIKQQ-IONNQARKSA-N -1 1 367.866 2.036 20 0 FEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820735907 606803307 /nfs/dbraw/zinc/80/33/07/606803307.db2.gz VMMHIFWEXOIKQQ-IONNQARKSA-N -1 1 367.866 2.036 20 0 FEADMM COC(=O)c1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC000821669515 606825291 /nfs/dbraw/zinc/82/52/91/606825291.db2.gz OYXLOGGGLFOSRU-UHFFFAOYSA-N -1 1 362.342 2.211 20 0 FEADMM O[C@H](C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823675796 607034511 /nfs/dbraw/zinc/03/45/11/607034511.db2.gz ZRORRQXSNDISEG-SSDOTTSWSA-N -1 1 368.772 2.116 20 0 FEADMM O[C@H](C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823675796 607034512 /nfs/dbraw/zinc/03/45/12/607034512.db2.gz ZRORRQXSNDISEG-SSDOTTSWSA-N -1 1 368.772 2.116 20 0 FEADMM Cn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1ccccn1 ZINC000822604892 607037193 /nfs/dbraw/zinc/03/71/93/607037193.db2.gz ONWMTEWQWPRNIM-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Cn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1ccccn1 ZINC000822604892 607037194 /nfs/dbraw/zinc/03/71/94/607037194.db2.gz ONWMTEWQWPRNIM-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM CC(C)C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820067829 607048587 /nfs/dbraw/zinc/04/85/87/607048587.db2.gz MDWWSRUSBBWKRT-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C[C@@H]2CC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548290 607090838 /nfs/dbraw/zinc/09/08/38/607090838.db2.gz HGTIVIYKHLMZEQ-JOYOIKCWSA-N -1 1 361.402 2.385 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000823379850 607108518 /nfs/dbraw/zinc/10/85/18/607108518.db2.gz LNDNFNFYFWILMO-QMMMGPOBSA-N -1 1 362.802 2.166 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000823379850 607108519 /nfs/dbraw/zinc/10/85/19/607108519.db2.gz LNDNFNFYFWILMO-QMMMGPOBSA-N -1 1 362.802 2.166 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccn1Cc1ccccc1 ZINC000823382694 607109081 /nfs/dbraw/zinc/10/90/81/607109081.db2.gz DOOQSPIBBVGWIO-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccn1Cc1ccccc1 ZINC000823382694 607109082 /nfs/dbraw/zinc/10/90/82/607109082.db2.gz DOOQSPIBBVGWIO-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM Cc1ccn(-c2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822370403 607161226 /nfs/dbraw/zinc/16/12/26/607161226.db2.gz XIHYTRQLHVVZSR-UHFFFAOYSA-N -1 1 365.422 2.352 20 0 FEADMM Cc1ccn(-c2ccccc2CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822370403 607161227 /nfs/dbraw/zinc/16/12/27/607161227.db2.gz XIHYTRQLHVVZSR-UHFFFAOYSA-N -1 1 365.422 2.352 20 0 FEADMM Clc1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)nc1-c1nnn[n-]1 ZINC000822578618 607176696 /nfs/dbraw/zinc/17/66/96/607176696.db2.gz MDFRSFDTBJTKQG-LKFCYVNXSA-N -1 1 352.851 2.382 20 0 FEADMM Clc1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)nc1-c1nn[n-]n1 ZINC000822578618 607176697 /nfs/dbraw/zinc/17/66/97/607176697.db2.gz MDFRSFDTBJTKQG-LKFCYVNXSA-N -1 1 352.851 2.382 20 0 FEADMM c1ccc(CO[C@H]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)nc1 ZINC000823786966 607226231 /nfs/dbraw/zinc/22/62/31/607226231.db2.gz FUNWRHXCOHTDMV-AWEZNQCLSA-N -1 1 374.408 2.000 20 0 FEADMM c1ccc(CO[C@H]2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)nc1 ZINC000823786966 607226232 /nfs/dbraw/zinc/22/62/32/607226232.db2.gz FUNWRHXCOHTDMV-AWEZNQCLSA-N -1 1 374.408 2.000 20 0 FEADMM CCOc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825643531 607865095 /nfs/dbraw/zinc/86/50/95/607865095.db2.gz PPNGCUKHPBSHJX-UHFFFAOYSA-N -1 1 357.345 2.422 20 0 FEADMM CCOc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825643531 607865096 /nfs/dbraw/zinc/86/50/96/607865096.db2.gz PPNGCUKHPBSHJX-UHFFFAOYSA-N -1 1 357.345 2.422 20 0 FEADMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c(OC)c1 ZINC000826209823 607866240 /nfs/dbraw/zinc/86/62/40/607866240.db2.gz SHQSPTAAGCCLHO-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c(OC)c1 ZINC000826209823 607866241 /nfs/dbraw/zinc/86/62/41/607866241.db2.gz SHQSPTAAGCCLHO-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000826493529 607868064 /nfs/dbraw/zinc/86/80/64/607868064.db2.gz OYSGWNPAYCZLGA-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000826493529 607868065 /nfs/dbraw/zinc/86/80/65/607868065.db2.gz OYSGWNPAYCZLGA-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CSc1nnc(CCCNc2cccc(-c3nnn[n-]3)n2)n1CC(C)C ZINC000826231340 607895547 /nfs/dbraw/zinc/89/55/47/607895547.db2.gz HGSIHMJIGNBYDG-UHFFFAOYSA-N -1 1 373.490 2.276 20 0 FEADMM CSc1nnc(CCCNc2cccc(-c3nn[n-]n3)n2)n1CC(C)C ZINC000826231340 607895548 /nfs/dbraw/zinc/89/55/48/607895548.db2.gz HGSIHMJIGNBYDG-UHFFFAOYSA-N -1 1 373.490 2.276 20 0 FEADMM c1ccc2sc(N3CCN(c4cccc(-c5nnn[n-]5)n4)CC3)nc2c1 ZINC000826514096 607896689 /nfs/dbraw/zinc/89/66/89/607896689.db2.gz HITIKXYTRJPBLO-UHFFFAOYSA-N -1 1 364.438 2.198 20 0 FEADMM c1ccc2sc(N3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)nc2c1 ZINC000826514096 607896690 /nfs/dbraw/zinc/89/66/90/607896690.db2.gz HITIKXYTRJPBLO-UHFFFAOYSA-N -1 1 364.438 2.198 20 0 FEADMM c1sc(CCNc2cccc(-c3nnn[n-]3)n2)nc1-c1ccncc1 ZINC000826517034 607902508 /nfs/dbraw/zinc/90/25/08/607902508.db2.gz MXZLVTKLPYQBIN-UHFFFAOYSA-N -1 1 350.411 2.435 20 0 FEADMM c1sc(CCNc2cccc(-c3nn[n-]n3)n2)nc1-c1ccncc1 ZINC000826517034 607902509 /nfs/dbraw/zinc/90/25/09/607902509.db2.gz MXZLVTKLPYQBIN-UHFFFAOYSA-N -1 1 350.411 2.435 20 0 FEADMM CCn1c(=O)c2cc(F)ccc2nc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000825796207 607937513 /nfs/dbraw/zinc/93/75/13/607937513.db2.gz AAQDPKVCSGHYKH-UHFFFAOYSA-N -1 1 369.385 2.282 20 0 FEADMM CCn1c(=O)c2cc(F)ccc2nc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000825796207 607937514 /nfs/dbraw/zinc/93/75/14/607937514.db2.gz AAQDPKVCSGHYKH-UHFFFAOYSA-N -1 1 369.385 2.282 20 0 FEADMM CC(C)(C)C1=CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824072552 607971905 /nfs/dbraw/zinc/97/19/05/607971905.db2.gz XFHYTHGWTYCOTJ-UHFFFAOYSA-N -1 1 365.434 2.373 20 0 FEADMM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826211042 607988295 /nfs/dbraw/zinc/98/82/95/607988295.db2.gz NFBNQFWVLXWFLZ-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826211042 607988296 /nfs/dbraw/zinc/98/82/96/607988296.db2.gz NFBNQFWVLXWFLZ-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826213308 608030217 /nfs/dbraw/zinc/03/02/17/608030217.db2.gz SPIMOISRQRUCDW-LLVKDONJSA-N -1 1 367.365 2.086 20 0 FEADMM COc1cc(CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C2CC2)ccc1O ZINC000826178928 608074809 /nfs/dbraw/zinc/07/48/09/608074809.db2.gz REDTWJXCWMPVDX-UHFFFAOYSA-N -1 1 371.422 2.447 20 0 FEADMM COc1cc(CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C2CC2)ccc1O ZINC000826178928 608074810 /nfs/dbraw/zinc/07/48/10/608074810.db2.gz REDTWJXCWMPVDX-UHFFFAOYSA-N -1 1 371.422 2.447 20 0 FEADMM Cc1nn(C(F)F)c(C)c1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826332842 608143480 /nfs/dbraw/zinc/14/34/80/608143480.db2.gz KATACGIZZUONAY-UHFFFAOYSA-N -1 1 354.342 2.494 20 0 FEADMM Cc1nn(C(F)F)c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826332842 608143481 /nfs/dbraw/zinc/14/34/81/608143481.db2.gz KATACGIZZUONAY-UHFFFAOYSA-N -1 1 354.342 2.494 20 0 FEADMM Cc1nn(C(F)F)c(C)c1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000826333138 608143534 /nfs/dbraw/zinc/14/35/34/608143534.db2.gz VRKDXHCRNGFWOE-UHFFFAOYSA-N -1 1 354.342 2.494 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(N2CCCCCC2)cc1 ZINC000826425058 608147704 /nfs/dbraw/zinc/14/77/04/608147704.db2.gz OFTALZLDJZSTIM-UHFFFAOYSA-N -1 1 366.429 2.082 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(N2CCCCCC2)cc1 ZINC000826425058 608147706 /nfs/dbraw/zinc/14/77/06/608147706.db2.gz OFTALZLDJZSTIM-UHFFFAOYSA-N -1 1 366.429 2.082 20 0 FEADMM COCCCN(Cc1ccncc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826156339 608192683 /nfs/dbraw/zinc/19/26/83/608192683.db2.gz YXXSIJRUDRIMJT-UHFFFAOYSA-N -1 1 365.850 2.415 20 0 FEADMM COCCCN(Cc1ccncc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826156339 608192684 /nfs/dbraw/zinc/19/26/84/608192684.db2.gz YXXSIJRUDRIMJT-UHFFFAOYSA-N -1 1 365.850 2.415 20 0 FEADMM CC(C)(C)OC(=O)CCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824100821 608307979 /nfs/dbraw/zinc/30/79/79/608307979.db2.gz YERBGHSGVISBGV-UHFFFAOYSA-N -1 1 351.432 2.170 20 0 FEADMM CC(C)(C)OC(=O)CCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824100821 608307981 /nfs/dbraw/zinc/30/79/81/608307981.db2.gz YERBGHSGVISBGV-UHFFFAOYSA-N -1 1 351.432 2.170 20 0 FEADMM CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)s1 ZINC000824130450 608348911 /nfs/dbraw/zinc/34/89/11/608348911.db2.gz KICVCHSISCNMHS-SECBINFHSA-N -1 1 374.470 2.175 20 0 FEADMM CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)s1 ZINC000824130450 608348913 /nfs/dbraw/zinc/34/89/13/608348913.db2.gz KICVCHSISCNMHS-SECBINFHSA-N -1 1 374.470 2.175 20 0 FEADMM CCn1nc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)ccc1=O ZINC000825807526 608350456 /nfs/dbraw/zinc/35/04/56/608350456.db2.gz RPRCWBKLMQCKPQ-UHFFFAOYSA-N -1 1 373.442 2.055 20 0 FEADMM CCn1nc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)ccc1=O ZINC000825807526 608350458 /nfs/dbraw/zinc/35/04/58/608350458.db2.gz RPRCWBKLMQCKPQ-UHFFFAOYSA-N -1 1 373.442 2.055 20 0 FEADMM Clc1cccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CCOCC2)c1 ZINC000826353309 608403814 /nfs/dbraw/zinc/40/38/14/608403814.db2.gz JYSLAOPUQDUKKV-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM Clc1cccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CCOCC2)c1 ZINC000826353309 608403815 /nfs/dbraw/zinc/40/38/15/608403815.db2.gz JYSLAOPUQDUKKV-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000824649418 608427266 /nfs/dbraw/zinc/42/72/66/608427266.db2.gz LSRNNXHLMNAXLE-UHLUBPPHSA-N -1 1 366.212 2.498 20 0 FEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000824649418 608427268 /nfs/dbraw/zinc/42/72/68/608427268.db2.gz LSRNNXHLMNAXLE-UHLUBPPHSA-N -1 1 366.212 2.498 20 0 FEADMM O=C(NC1(CO)CC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826427740 608473328 /nfs/dbraw/zinc/47/33/28/608473328.db2.gz YWIJCULBRHEOKO-UHFFFAOYSA-N -1 1 369.356 2.053 20 0 FEADMM O=C(NC1(CO)CC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826427740 608473330 /nfs/dbraw/zinc/47/33/30/608473330.db2.gz YWIJCULBRHEOKO-UHFFFAOYSA-N -1 1 369.356 2.053 20 0 FEADMM CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825565001 608502059 /nfs/dbraw/zinc/50/20/59/608502059.db2.gz JVVXUMQGFASTOO-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000825565001 608502060 /nfs/dbraw/zinc/50/20/60/608502060.db2.gz JVVXUMQGFASTOO-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM Cc1nn(C)c(C)c1[C@H](NCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826332844 608583466 /nfs/dbraw/zinc/58/34/66/608583466.db2.gz KBVNATADEZIJBP-ZDUSSCGKSA-N -1 1 366.351 2.005 20 0 FEADMM Cc1nn(C)c(C)c1[C@H](NCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826332844 608583468 /nfs/dbraw/zinc/58/34/68/608583468.db2.gz KBVNATADEZIJBP-ZDUSSCGKSA-N -1 1 366.351 2.005 20 0 FEADMM COC(=O)CN(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000826138240 608584357 /nfs/dbraw/zinc/58/43/57/608584357.db2.gz LSYZROQPNMAQKL-UHFFFAOYSA-N -1 1 358.789 2.095 20 0 FEADMM COC(=O)CN(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000826138240 608584359 /nfs/dbraw/zinc/58/43/59/608584359.db2.gz LSYZROQPNMAQKL-UHFFFAOYSA-N -1 1 358.789 2.095 20 0 FEADMM CN(Cc1cnn(-c2ccccc2)n1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825992083 608588105 /nfs/dbraw/zinc/58/81/05/608588105.db2.gz OEFSOHKUNILDPO-UHFFFAOYSA-N -1 1 352.427 2.141 20 0 FEADMM CCc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000825711921 608589993 /nfs/dbraw/zinc/58/99/93/608589993.db2.gz IXCRWRIONLMQOD-UHFFFAOYSA-N -1 1 369.429 2.210 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000826357296 609158488 /nfs/dbraw/zinc/15/84/88/609158488.db2.gz ZIKJAXYIIRSHRQ-CMUBDUJZSA-N -1 1 364.413 2.310 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000826357296 609158490 /nfs/dbraw/zinc/15/84/90/609158490.db2.gz ZIKJAXYIIRSHRQ-CMUBDUJZSA-N -1 1 364.413 2.310 20 0 FEADMM CC(C)N(CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1)CC(F)(F)F ZINC000824288363 609160989 /nfs/dbraw/zinc/16/09/89/609160989.db2.gz DOIQKQVVWODAGV-UHFFFAOYSA-N -1 1 372.351 2.081 20 0 FEADMM CC(C)N(CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1)CC(F)(F)F ZINC000824288363 609160992 /nfs/dbraw/zinc/16/09/92/609160992.db2.gz DOIQKQVVWODAGV-UHFFFAOYSA-N -1 1 372.351 2.081 20 0 FEADMM CCCCO[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825290724 609290392 /nfs/dbraw/zinc/29/03/92/609290392.db2.gz GOOUJXAIWZKNMG-NSHDSACASA-N -1 1 373.392 2.335 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2c3ccccc3C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826229530 609296354 /nfs/dbraw/zinc/29/63/54/609296354.db2.gz IDIRDSRCDUFDAD-VIFPVBQESA-N -1 1 368.422 2.281 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(F)ccc2C)cc1-c1nn[n-]n1 ZINC000826229841 609297022 /nfs/dbraw/zinc/29/70/22/609297022.db2.gz TYONMFIVSCPCMP-UHFFFAOYSA-N -1 1 360.374 2.389 20 0 FEADMM CCc1nn(CCCc2cccc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762460 609310835 /nfs/dbraw/zinc/31/08/35/609310835.db2.gz CDXJFPSZSYQXIV-UHFFFAOYSA-N -1 1 352.442 2.489 20 0 FEADMM O=S(=O)(Oc1ccc2ccncc2c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493490 609315406 /nfs/dbraw/zinc/31/54/06/609315406.db2.gz MWOJJRYIGONNBI-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1C ZINC000824978314 609357902 /nfs/dbraw/zinc/35/79/02/609357902.db2.gz VNCAQNFTWTXMAH-PHIMTYICSA-N -1 1 370.392 2.311 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000826229687 609433929 /nfs/dbraw/zinc/43/39/29/609433929.db2.gz NBZZDXKZDPCZQA-BTDLBPIBSA-N -1 1 374.470 2.342 20 0 FEADMM COc1ccc(-c2nc(SC[C@H](C)OC)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181603 609448941 /nfs/dbraw/zinc/44/89/41/609448941.db2.gz GONCAVLUQJWOIU-VIFPVBQESA-N -1 1 374.426 2.165 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826346414 609469459 /nfs/dbraw/zinc/46/94/59/609469459.db2.gz LTOVGCNSGUOWSU-QGHHPUGFSA-N -1 1 352.398 2.145 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826346414 609469461 /nfs/dbraw/zinc/46/94/61/609469461.db2.gz LTOVGCNSGUOWSU-QGHHPUGFSA-N -1 1 352.398 2.145 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000810864976 674565469 /nfs/dbraw/zinc/56/54/69/674565469.db2.gz LKNDUEMZQKNBJL-KRWDZBQOSA-N -1 1 372.462 2.021 20 0 FEADMM CCn1nnc(C)c1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000560341652 674578537 /nfs/dbraw/zinc/57/85/37/674578537.db2.gz GYEQKLXWKHWSGR-UHFFFAOYSA-N -1 1 366.834 2.019 20 0 FEADMM CCn1nnc(C)c1CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000560341652 674578540 /nfs/dbraw/zinc/57/85/40/674578540.db2.gz GYEQKLXWKHWSGR-UHFFFAOYSA-N -1 1 366.834 2.019 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)N[C@@H]2CCCC2(F)F)C1)C(F)(F)F ZINC000811918433 674639411 /nfs/dbraw/zinc/63/94/11/674639411.db2.gz SIDIFEGSEQQEEX-NXEZZACHSA-N -1 1 357.323 2.274 20 0 FEADMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(C3CCOCC3)s2)n1 ZINC000561612371 674683885 /nfs/dbraw/zinc/68/38/85/674683885.db2.gz XUIZIDJWIZOLLP-UHFFFAOYSA-N -1 1 371.875 2.850 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)[C@@H]1CCCOC1 ZINC000561722177 674693404 /nfs/dbraw/zinc/69/34/04/674693404.db2.gz JLUMTQNATSAVSY-SJORKVTESA-N -1 1 369.483 2.081 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)C1CCCCC1 ZINC000562723704 674795278 /nfs/dbraw/zinc/79/52/78/674795278.db2.gz BUQBKSSHVJVAKC-SJORKVTESA-N -1 1 369.483 2.415 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)[C@@H]1n1cccn1 ZINC000562733894 674797978 /nfs/dbraw/zinc/79/79/78/674797978.db2.gz ZSYPYYAUGKZFJN-TUAOUCFPSA-N -1 1 361.876 2.295 20 0 FEADMM O=S(=O)(c1ccc([O-])c(NC(=S)NC2CCC2)c1)N1CCCC1 ZINC000814191500 674825015 /nfs/dbraw/zinc/82/50/15/674825015.db2.gz KJSFAZHEHIPQQD-UHFFFAOYSA-N -1 1 355.485 2.016 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000563399043 674882860 /nfs/dbraw/zinc/88/28/60/674882860.db2.gz UTKQSYXGPSVBGC-TZMCWYRMSA-N -1 1 365.817 2.438 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000563602033 674914614 /nfs/dbraw/zinc/91/46/14/674914614.db2.gz JFHZJXXFGVOOTE-YPMHNXCESA-N -1 1 363.357 2.203 20 0 FEADMM COc1cc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)ccc1Cl ZINC000815098945 674917973 /nfs/dbraw/zinc/91/79/73/674917973.db2.gz SUVUIABTERRETJ-UHFFFAOYSA-N -1 1 364.254 2.257 20 0 FEADMM C[C@](O)(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000815502471 674955046 /nfs/dbraw/zinc/95/50/46/674955046.db2.gz QULSJEHPZFACMP-CYBMUJFWSA-N -1 1 353.724 2.159 20 0 FEADMM O=C([N-]CCCOC(=O)c1ccccc1NC(=O)C1CC1)C(F)(F)F ZINC000815518216 674956120 /nfs/dbraw/zinc/95/61/20/674956120.db2.gz FQCICCKAGZSWBY-UHFFFAOYSA-N -1 1 358.316 2.261 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCS(=O)(=O)c2ccccc2C1 ZINC000564329981 674996764 /nfs/dbraw/zinc/99/67/64/674996764.db2.gz IIJIOHVTRJLLQX-UHFFFAOYSA-N -1 1 353.346 2.100 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2nn(C)cc2Br)c1 ZINC000564728087 675055865 /nfs/dbraw/zinc/05/58/65/675055865.db2.gz CVHIRDSOYLJAIA-UHFFFAOYSA-N -1 1 360.233 2.130 20 0 FEADMM COc1cc(N)c(Cl)cc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000010550966 669988545 /nfs/dbraw/zinc/98/85/45/669988545.db2.gz KLTFWCWCJUEJOL-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000010762214 669990719 /nfs/dbraw/zinc/99/07/19/669990719.db2.gz HRGIUDHTLDSHAK-UHFFFAOYSA-N -1 1 366.874 2.288 20 0 FEADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014267649 670008002 /nfs/dbraw/zinc/00/80/02/670008002.db2.gz SBOXQUOJHGTNPY-UHFFFAOYSA-N -1 1 372.435 2.477 20 0 FEADMM COc1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1OC(F)F ZINC000030369756 670109036 /nfs/dbraw/zinc/10/90/36/670109036.db2.gz INIACXLOFJHTGS-UHFFFAOYSA-N -1 1 362.354 2.380 20 0 FEADMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(OCc2ccccc2)cc1 ZINC000031433737 670121098 /nfs/dbraw/zinc/12/10/98/670121098.db2.gz IPOMHZGQAQZJLN-UHFFFAOYSA-N -1 1 353.403 2.092 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000032087079 670126334 /nfs/dbraw/zinc/12/63/34/670126334.db2.gz CUHOHWWSUXXYOQ-UHFFFAOYSA-N -1 1 373.749 2.287 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)no2)o1 ZINC000042264251 670160433 /nfs/dbraw/zinc/16/04/33/670160433.db2.gz CAYQUSRCNTVRNK-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000047313000 670239561 /nfs/dbraw/zinc/23/95/61/670239561.db2.gz JHQILBXPRFJPIW-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCO[C@H]3C[C@H]32)c1)OCC(F)(F)F ZINC000816895262 675084593 /nfs/dbraw/zinc/08/45/93/675084593.db2.gz GUSZEMXMHZJEQH-PWSUYJOCSA-N -1 1 360.288 2.116 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nnc(CC)o1 ZINC000052172288 670309832 /nfs/dbraw/zinc/30/98/32/670309832.db2.gz NSIQDVACMKFDLE-UHFFFAOYSA-N -1 1 353.400 2.141 20 0 FEADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000055632036 670353128 /nfs/dbraw/zinc/35/31/28/670353128.db2.gz HVDCJVBZAVTUPN-UHFFFAOYSA-N -1 1 364.379 2.452 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)cc1 ZINC000055637685 670353330 /nfs/dbraw/zinc/35/33/30/670353330.db2.gz ABOLFJHMTYJYNY-UHFFFAOYSA-N -1 1 363.395 2.025 20 0 FEADMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)cc1 ZINC000055652686 670353523 /nfs/dbraw/zinc/35/35/23/670353523.db2.gz RWRBCKMSEOBFRS-UHFFFAOYSA-N -1 1 357.391 2.311 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000057023922 670365195 /nfs/dbraw/zinc/36/51/95/670365195.db2.gz DGFNRBBMLPMCRK-GFCCVEGCSA-N -1 1 357.863 2.436 20 0 FEADMM CCCCS(=O)(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817149343 675105373 /nfs/dbraw/zinc/10/53/73/675105373.db2.gz CTXKHAAFSZPYSY-LBPRGKRZSA-N -1 1 364.389 2.226 20 0 FEADMM Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2[O-])c(O)c1 ZINC000066047837 670437235 /nfs/dbraw/zinc/43/72/35/670437235.db2.gz RSFGEDMWYOLVIL-UHFFFAOYSA-N -1 1 365.183 2.244 20 0 FEADMM CC(C)n1c(CNC(=O)COc2cccc([N+](=O)[O-])c2)n[n-]c1=S ZINC000066639410 670445596 /nfs/dbraw/zinc/44/55/96/670445596.db2.gz RLURKSBSHXNPBH-UHFFFAOYSA-N -1 1 351.388 2.125 20 0 FEADMM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639493 670445610 /nfs/dbraw/zinc/44/56/10/670445610.db2.gz LNUCCZAIIMMIFT-UHFFFAOYSA-N -1 1 351.388 2.368 20 0 FEADMM CC(C)n1c(CNC(=O)c2csc(-c3ncccn3)n2)n[n-]c1=S ZINC000066640515 670446163 /nfs/dbraw/zinc/44/61/63/670446163.db2.gz BDESSDGSITZBSA-UHFFFAOYSA-N -1 1 361.456 2.365 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccc(Cn3cncn3)cc2)n[n-]c1=S ZINC000066639766 670446182 /nfs/dbraw/zinc/44/61/82/670446182.db2.gz GDSBGXUQNPJLRS-UHFFFAOYSA-N -1 1 357.443 2.091 20 0 FEADMM Cc1nc(SCC(=O)NCc2n[n-]c(=S)n2C)c(C#N)c(C)c1C ZINC000067050188 670451816 /nfs/dbraw/zinc/45/18/16/670451816.db2.gz JCGICGXTFGVTLC-UHFFFAOYSA-N -1 1 362.484 2.078 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCCc2n[n-]c(=S)n2C)c1C#N ZINC000067070072 670452260 /nfs/dbraw/zinc/45/22/60/670452260.db2.gz HWYSQCPSTFVODA-UHFFFAOYSA-N -1 1 374.495 2.316 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H](C)NC(=O)C2CCCCC2)n[n-]c1=S ZINC000067071485 670452405 /nfs/dbraw/zinc/45/24/05/670452405.db2.gz SFCKUXHDNCGTKI-NSHDSACASA-N -1 1 353.492 2.223 20 0 FEADMM CCn1c(CCNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)n[n-]c1=S ZINC000067077682 670452933 /nfs/dbraw/zinc/45/29/33/670452933.db2.gz GECJCWIVZGIRBV-GFCCVEGCSA-N -1 1 367.519 2.094 20 0 FEADMM CN(C[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1)S(C)(=O)=O ZINC000569238044 670530576 /nfs/dbraw/zinc/53/05/76/670530576.db2.gz OHMQVYZSULQLHS-CYBMUJFWSA-N -1 1 374.890 2.142 20 0 FEADMM CCCCNC(=O)CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817292457 675118277 /nfs/dbraw/zinc/11/82/77/675118277.db2.gz ZTSCMBJDIUBZHL-CYBMUJFWSA-N -1 1 357.376 2.013 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000569532543 670573889 /nfs/dbraw/zinc/57/38/89/670573889.db2.gz VLENUHIBTBLBLN-ZIAGYGMSSA-N -1 1 365.455 2.227 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(C(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC000569697113 670598750 /nfs/dbraw/zinc/59/87/50/670598750.db2.gz JPMJEQZAGBJVIX-MFKMUULPSA-N -1 1 350.415 2.034 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCC(c2ccccc2)c2ccccc2)s1 ZINC000079301614 670603769 /nfs/dbraw/zinc/60/37/69/670603769.db2.gz WCTMEKUDGMMQSQ-MRXNPFEDSA-N -1 1 353.447 2.282 20 0 FEADMM CCn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC000080076241 670615701 /nfs/dbraw/zinc/61/57/01/670615701.db2.gz YGNCYUSAMHJHCF-AAEUAGOBSA-N -1 1 360.487 2.195 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1noc(-c2cccc(F)c2)n1 ZINC000081354881 670640805 /nfs/dbraw/zinc/64/08/05/670640805.db2.gz DMOIRWNTLZICFV-UHFFFAOYSA-N -1 1 360.374 2.395 20 0 FEADMM C[C@@H](NC(=O)C1CCCCC1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000082985171 670652060 /nfs/dbraw/zinc/65/20/60/670652060.db2.gz VHPDDIFNVCKBNJ-SNVBAGLBSA-N -1 1 369.824 2.325 20 0 FEADMM Cn1c(CCNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)n[n-]c1=S ZINC000087301920 670686327 /nfs/dbraw/zinc/68/63/27/670686327.db2.gz RWRKGNXSVQIMMR-UHFFFAOYSA-N -1 1 362.846 2.494 20 0 FEADMM N#CCc1ccc(C(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)cc1 ZINC000089421637 670701356 /nfs/dbraw/zinc/70/13/56/670701356.db2.gz VPZFCNXIXOWVPH-UHFFFAOYSA-N -1 1 351.391 2.279 20 0 FEADMM Cc1ccc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)nn1 ZINC000817417849 675131219 /nfs/dbraw/zinc/13/12/19/675131219.db2.gz UQCLGWZCMODNAS-CQSZACIVSA-N -1 1 350.344 2.395 20 0 FEADMM CCn1c(CCNC(=O)c2cnc([C@H]3CCCO3)s2)n[n-]c1=S ZINC000089819145 670706325 /nfs/dbraw/zinc/70/63/25/670706325.db2.gz MPIQRFGSJLUKNF-SECBINFHSA-N -1 1 353.473 2.241 20 0 FEADMM O=C([C@H]1CCN(c2ccccc2Cl)C1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000565569896 675132892 /nfs/dbraw/zinc/13/28/92/675132892.db2.gz BSZVFYGVLWDNRM-OLZOCXBDSA-N -1 1 360.849 2.086 20 0 FEADMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)C1CC1 ZINC000570731531 670760592 /nfs/dbraw/zinc/76/05/92/670760592.db2.gz OEUDVSVAEJSPPA-NSHDSACASA-N -1 1 352.250 2.118 20 0 FEADMM Cn1c2cc([N-]S(=O)(=O)c3cccc4ncccc43)ccc2oc1=O ZINC000102320784 670773995 /nfs/dbraw/zinc/77/39/95/670773995.db2.gz RXTCRVIVPPJJCP-UHFFFAOYSA-N -1 1 355.375 2.481 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c1Br ZINC000571769895 670922825 /nfs/dbraw/zinc/92/28/25/670922825.db2.gz ZQLPVGXQQMIMPH-UHFFFAOYSA-N -1 1 373.276 2.232 20 0 FEADMM Cn1cc([C@@H](NC(=O)c2c(F)ccc([O-])c2F)C2(CO)CCC2)cn1 ZINC000572207056 670972992 /nfs/dbraw/zinc/97/29/92/670972992.db2.gz QCTABEJVTNWUQS-OAHLLOKOSA-N -1 1 351.353 2.038 20 0 FEADMM Cc1c(F)cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000565953623 675164017 /nfs/dbraw/zinc/16/40/17/675164017.db2.gz HFQKLBFIDASQEE-VXGBXAGGSA-N -1 1 372.462 2.231 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CC1)c1cccc(C)c1C ZINC000574153629 671208437 /nfs/dbraw/zinc/20/84/37/671208437.db2.gz BIKFSBIWWRGYRP-SJORKVTESA-N -1 1 369.483 2.252 20 0 FEADMM COCC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000574244310 671217857 /nfs/dbraw/zinc/21/78/57/671217857.db2.gz ZOHSNSZADSLFLS-MRVPVSSYSA-N -1 1 360.234 2.462 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000566163852 675188066 /nfs/dbraw/zinc/18/80/66/675188066.db2.gz BUAKYSASNPPHMU-VXNVDRBHSA-N -1 1 368.238 2.236 20 0 FEADMM CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000574409047 671236953 /nfs/dbraw/zinc/23/69/53/671236953.db2.gz AWBSSBAYLPMHFE-CYBMUJFWSA-N -1 1 365.455 2.096 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000574487731 671245852 /nfs/dbraw/zinc/24/58/52/671245852.db2.gz VUEHQIBJOAWJPZ-UHFFFAOYSA-N -1 1 371.287 2.341 20 0 FEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1cccc2ccc(C)nc21 ZINC000817990209 675189013 /nfs/dbraw/zinc/18/90/13/675189013.db2.gz ZSDGUGAYLYUIFS-UHFFFAOYSA-N -1 1 361.379 2.211 20 0 FEADMM C[C@H]1CN(CCC[N-]S(=O)(=O)c2nc3ccccc3s2)C[C@H](C)O1 ZINC000575280883 671308015 /nfs/dbraw/zinc/30/80/15/671308015.db2.gz WUSHXRFFNRCKHB-STQMWFEESA-N -1 1 369.512 2.074 20 0 FEADMM Nc1ncnc2c1ncn2CCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000577289293 671585523 /nfs/dbraw/zinc/58/55/23/671585523.db2.gz RGXMANAYTHGAHR-UHFFFAOYSA-N -1 1 353.358 2.024 20 0 FEADMM CS(=O)(=O)Cc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000577443351 671596109 /nfs/dbraw/zinc/59/61/09/671596109.db2.gz PSLLQXHTVRADNB-UHFFFAOYSA-N -1 1 355.362 2.145 20 0 FEADMM Cc1cnc(SCC(=O)N2CCN(c3ccccc3F)CC2)[n-]c1=O ZINC000577627764 671609384 /nfs/dbraw/zinc/60/93/84/671609384.db2.gz HQSCTJRGWRNIAM-UHFFFAOYSA-N -1 1 362.430 2.071 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1nn[n-]n1 ZINC000578967367 671702173 /nfs/dbraw/zinc/70/21/73/671702173.db2.gz KIPGYUJPZBYCQP-TVYUQYBPSA-N -1 1 364.247 2.328 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3nccn3C)C2)c(F)c1 ZINC000579465512 671737764 /nfs/dbraw/zinc/73/77/64/671737764.db2.gz GRPQOIMDSSDBTR-FZMZJTMJSA-N -1 1 371.409 2.205 20 0 FEADMM CCCc1nc(=NC(=O)NCCN(C)Cc2ccc(F)cc2)s[n-]1 ZINC000580060229 671779852 /nfs/dbraw/zinc/77/98/52/671779852.db2.gz YWGLPDSRNUZATA-UHFFFAOYSA-N -1 1 351.451 2.305 20 0 FEADMM COc1cc([C@H](C)[N-]S(=O)(=O)c2c(C)onc2N)ccc1OC(C)C ZINC000580130491 671784494 /nfs/dbraw/zinc/78/44/94/671784494.db2.gz WGCWGUMFJNIONS-JTQLQIEISA-N -1 1 369.443 2.401 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC[C@H]2COc3ccccc3O2)sc1C ZINC000580149981 671785986 /nfs/dbraw/zinc/78/59/86/671785986.db2.gz LSSQODSVENOHJZ-LBPRGKRZSA-N -1 1 354.453 2.268 20 0 FEADMM O=C(CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)Nc1nnn[n-]1 ZINC000580526319 671815334 /nfs/dbraw/zinc/81/53/34/671815334.db2.gz BAYKUDJMKLNJQR-GFCCVEGCSA-N -1 1 354.336 2.384 20 0 FEADMM O=C(CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)Nc1nn[n-]n1 ZINC000580526319 671815339 /nfs/dbraw/zinc/81/53/39/671815339.db2.gz BAYKUDJMKLNJQR-GFCCVEGCSA-N -1 1 354.336 2.384 20 0 FEADMM COCc1nc(CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)cs1 ZINC000580708266 671826170 /nfs/dbraw/zinc/82/61/70/671826170.db2.gz OVCSDHXRVQSVHF-UHFFFAOYSA-N -1 1 350.425 2.049 20 0 FEADMM COCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)cs1 ZINC000580708266 671826175 /nfs/dbraw/zinc/82/61/75/671826175.db2.gz OVCSDHXRVQSVHF-UHFFFAOYSA-N -1 1 350.425 2.049 20 0 FEADMM O=S(=O)(Cc1ccccc1Br)[N-]c1nnc2ccccn21 ZINC000580737599 671828547 /nfs/dbraw/zinc/82/85/47/671828547.db2.gz CEEUYVLKDZVLGO-UHFFFAOYSA-N -1 1 367.228 2.434 20 0 FEADMM Cn1nccc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000580933947 671847680 /nfs/dbraw/zinc/84/76/80/671847680.db2.gz QXOIDRYUADTTKJ-YGRLFVJLSA-N -1 1 373.837 2.411 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 ZINC000120802419 671935759 /nfs/dbraw/zinc/93/57/59/671935759.db2.gz JLKRFOWHGQEIEL-CYBMUJFWSA-N -1 1 374.491 2.349 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000120876588 671937185 /nfs/dbraw/zinc/93/71/85/671937185.db2.gz WTTGQZNSFKSZJD-HZPDHXFCSA-N -1 1 353.447 2.433 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCCC2CC2)c(Br)o1 ZINC000121092237 671942394 /nfs/dbraw/zinc/94/23/94/671942394.db2.gz AJLLVDWFAVGWKT-UHFFFAOYSA-N -1 1 366.233 2.297 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1C ZINC000610192136 675958621 /nfs/dbraw/zinc/95/86/21/675958621.db2.gz FGHXMPCZJBZBKP-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C ZINC000610191933 675958812 /nfs/dbraw/zinc/95/88/12/675958812.db2.gz LTWKNTFZEGYQCF-UHFFFAOYSA-N -1 1 363.391 2.354 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)co1 ZINC000121356844 671947042 /nfs/dbraw/zinc/94/70/42/671947042.db2.gz TVCRVNPFDOWEFQ-UHFFFAOYSA-N -1 1 357.819 2.159 20 0 FEADMM CCN(C)C(=O)c1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000581995194 671956628 /nfs/dbraw/zinc/95/66/28/671956628.db2.gz TUTJRVLRFJNRTI-UHFFFAOYSA-N -1 1 368.436 2.339 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)N1CCCCC1 ZINC000123728319 671984481 /nfs/dbraw/zinc/98/44/81/671984481.db2.gz ABWDDNCOAATMOQ-SFHVURJKSA-N -1 1 364.511 2.491 20 0 FEADMM Cn1cc(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)nc1Cl ZINC000124123010 671991398 /nfs/dbraw/zinc/99/13/98/671991398.db2.gz NMOHKZSZJSNWLY-CQSZACIVSA-N -1 1 368.890 2.016 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)N1CCCCC1 ZINC000124237252 671993341 /nfs/dbraw/zinc/99/33/41/671993341.db2.gz ZLFCXMDPXIXAMD-OAHLLOKOSA-N -1 1 373.906 2.192 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)ccc1OC ZINC000610317380 675966361 /nfs/dbraw/zinc/96/63/61/675966361.db2.gz KVWKVVYZPLTEFU-UHFFFAOYSA-N -1 1 367.427 2.303 20 0 FEADMM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000582737212 672029638 /nfs/dbraw/zinc/02/96/38/672029638.db2.gz VLNXVARVZYQTIX-NEPJUHHUSA-N -1 1 358.410 2.177 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(C2OCCO2)CC1 ZINC000130505805 672076414 /nfs/dbraw/zinc/07/64/14/672076414.db2.gz QFZVTWMCTQXUGY-UHFFFAOYSA-N -1 1 356.216 2.380 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000132878823 672103254 /nfs/dbraw/zinc/10/32/54/672103254.db2.gz LLGTVZADKNHLDN-UHFFFAOYSA-N -1 1 360.435 2.196 20 0 FEADMM CC(C)(C)c1nc(CNC(=O)N=c2nc(-c3ccsc3)[n-]s2)n[nH]1 ZINC000583610436 672111444 /nfs/dbraw/zinc/11/14/44/672111444.db2.gz CFECOBDUBCLOGT-UHFFFAOYSA-N -1 1 363.472 2.426 20 0 FEADMM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nn[n-]n1 ZINC000135474160 672133663 /nfs/dbraw/zinc/13/36/63/672133663.db2.gz ISRHEGRPYDYOTI-UHFFFAOYSA-N -1 1 352.185 2.312 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](Sc3ncc(C)c(=O)[n-]3)C2=O)c1 ZINC000584064895 672152672 /nfs/dbraw/zinc/15/26/72/672152672.db2.gz QFUYEIYACNMFMM-CQSZACIVSA-N -1 1 361.423 2.405 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)CCCOc2ccc(C)cc2Cl)n[nH]1 ZINC000153056655 672192723 /nfs/dbraw/zinc/19/27/23/672192723.db2.gz VDJBXNGVFUFBQH-UHFFFAOYSA-N -1 1 350.806 2.300 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccc(F)cc3C)no2)co1 ZINC000584508862 672194555 /nfs/dbraw/zinc/19/45/55/672194555.db2.gz UJFMHJWIKCUOCO-UHFFFAOYSA-N -1 1 351.359 2.276 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000584589045 672202632 /nfs/dbraw/zinc/20/26/32/672202632.db2.gz UKRXYUSGWFWQFT-UHOFOFEASA-N -1 1 351.422 2.181 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C(F)(F)F)n[n-]1 ZINC000584651968 672204022 /nfs/dbraw/zinc/20/40/22/672204022.db2.gz HYTWERAROCLVLA-BBBLOLIVSA-N -1 1 362.352 2.383 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C(F)(F)F)[n-]1 ZINC000584651968 672204025 /nfs/dbraw/zinc/20/40/25/672204025.db2.gz HYTWERAROCLVLA-BBBLOLIVSA-N -1 1 362.352 2.383 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000584651968 672204027 /nfs/dbraw/zinc/20/40/27/672204027.db2.gz HYTWERAROCLVLA-BBBLOLIVSA-N -1 1 362.352 2.383 20 0 FEADMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000154329003 672214973 /nfs/dbraw/zinc/21/49/73/672214973.db2.gz ISCWCGIGSAXSHP-UHFFFAOYSA-N -1 1 357.369 2.086 20 0 FEADMM O=C([N-]NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000160749277 672293236 /nfs/dbraw/zinc/29/32/36/672293236.db2.gz JWCSONGGBYDDNR-UHFFFAOYSA-N -1 1 371.702 2.157 20 0 FEADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1 ZINC000588006790 672444945 /nfs/dbraw/zinc/44/49/45/672444945.db2.gz VTFNZUZNSMJFNZ-JTQLQIEISA-N -1 1 361.789 2.094 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C12CCCC2 ZINC000611082738 676015812 /nfs/dbraw/zinc/01/58/12/676015812.db2.gz UUBDBDNANKOFBG-OLZOCXBDSA-N -1 1 357.428 2.082 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000589430298 672524923 /nfs/dbraw/zinc/52/49/23/672524923.db2.gz UAOCHJDEMXFYEM-NSHDSACASA-N -1 1 362.407 2.353 20 0 FEADMM COC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000186152352 672541938 /nfs/dbraw/zinc/54/19/38/672541938.db2.gz PYPRGJFARFFWIB-JTQLQIEISA-N -1 1 362.398 2.110 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc(C(=O)OC)c(C(C)C)s2)on1 ZINC000589952135 672549708 /nfs/dbraw/zinc/54/97/08/672549708.db2.gz DTUPBCITKXHSFX-UHFFFAOYSA-N -1 1 353.356 2.080 20 0 FEADMM CN(C)C(=O)CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000590063646 672557335 /nfs/dbraw/zinc/55/73/35/672557335.db2.gz VLPMNFKVKHPLKW-UHFFFAOYSA-N -1 1 361.467 2.007 20 0 FEADMM CCOC(=O)N1CC[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000187561473 672572729 /nfs/dbraw/zinc/57/27/29/672572729.db2.gz HGQDAFXVVNBYHW-JTQLQIEISA-N -1 1 357.204 2.115 20 0 FEADMM C[C@](O)(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000188856631 672600072 /nfs/dbraw/zinc/60/00/72/672600072.db2.gz MXHHRTFKRBBLJV-INIZCTEOSA-N -1 1 368.386 2.310 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cc(O)c(C)cc1C ZINC000680810133 672602662 /nfs/dbraw/zinc/60/26/62/672602662.db2.gz YUHJVKFUUZEYEA-UHFFFAOYSA-N -1 1 365.407 2.446 20 0 FEADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1O ZINC000680809738 672602684 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O=C([O-])Cc1ccc(CCNS(=O)(=O)c2c(F)cccc2F)cc1 ZINC000681572441 672674556 /nfs/dbraw/zinc/67/45/56/672674556.db2.gz VCVRARRBEQYHHV-UHFFFAOYSA-N -1 1 355.362 2.113 20 0 FEADMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)Cc1ccccc1 ZINC000681576735 672676246 /nfs/dbraw/zinc/67/62/46/672676246.db2.gz DHDMHLYDPHTXLH-NSHDSACASA-N -1 1 373.352 2.326 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc3c(cc(F)cc3OC)s2)on1 ZINC000611590893 676046900 /nfs/dbraw/zinc/04/69/00/676046900.db2.gz DSOJPZFYCIWWOO-UHFFFAOYSA-N -1 1 351.315 2.471 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1coc(C2CC2)n1 ZINC000681636644 672685305 /nfs/dbraw/zinc/68/53/05/672685305.db2.gz LYDJGFDZTNTNIN-GFCCVEGCSA-N -1 1 362.752 2.377 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)ccc1F ZINC000681968545 672719263 /nfs/dbraw/zinc/71/92/63/672719263.db2.gz XXKXCXCIHBXOOS-UHFFFAOYSA-N -1 1 366.414 2.314 20 0 FEADMM CO[C@H](C)c1nsc(=NCC2(C(=O)OC(C)(C)C)CCOCC2)[n-]1 ZINC000591970756 672728043 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O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c1Cl ZINC000296658816 673011157 /nfs/dbraw/zinc/01/11/57/673011157.db2.gz JSNNWDHFYOXICW-YNEQXMIYSA-N -1 1 367.210 2.500 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000685500666 673015506 /nfs/dbraw/zinc/01/55/06/673015506.db2.gz ROUUACATIBKWCA-UONOGXRCSA-N -1 1 351.428 2.072 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c(Br)n1C ZINC000311763710 673027244 /nfs/dbraw/zinc/02/72/44/673027244.db2.gz IOADYXQDDDXHBC-VIFPVBQESA-N -1 1 368.322 2.055 20 0 FEADMM C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323512461 673043663 /nfs/dbraw/zinc/04/36/63/673043663.db2.gz ZCDAJBQJBCCMLN-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM O=C([O-])c1c(F)cc(NS(=O)(=O)c2c[nH]c3ncccc32)cc1F ZINC000325576544 673049958 /nfs/dbraw/zinc/04/99/58/673049958.db2.gz MBEXKZGXCAPMCV-UHFFFAOYSA-N -1 1 353.306 2.340 20 0 FEADMM CC1(C)CCC(O)(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000326445181 673053324 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CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)c1ccccc1 ZINC000594760409 673132299 /nfs/dbraw/zinc/13/22/99/673132299.db2.gz ZCEYUQDWRIUTOA-DLBZAZTESA-N -1 1 369.483 2.415 20 0 FEADMM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(S(C)(=O)=O)c2)c1 ZINC000417585196 673189981 /nfs/dbraw/zinc/18/99/81/673189981.db2.gz PGGGBSCWVDFWHD-KRWDZBQOSA-N -1 1 363.435 2.404 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c(O)c1 ZINC000442844294 673222447 /nfs/dbraw/zinc/22/24/47/673222447.db2.gz LIFSMGOAVCLOBJ-UHFFFAOYSA-N -1 1 363.391 2.389 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(F)c2)cc1C ZINC000595319244 673223259 /nfs/dbraw/zinc/22/32/59/673223259.db2.gz ZMPQQHRTUBNCRX-NSHDSACASA-N -1 1 371.386 2.260 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)cc1C ZINC000595322223 673224139 /nfs/dbraw/zinc/22/41/39/673224139.db2.gz PZULMTOMVSPNGP-CHWSQXEVSA-N -1 1 359.444 2.247 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)cc1C ZINC000595323458 673224310 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Cc1n[n-]cc1S(=O)(=O)Oc1ccc(N(C)C(=O)NC(C)C)cc1 ZINC000732216551 673357863 /nfs/dbraw/zinc/35/78/63/673357863.db2.gz UMILZUXQGUNLPS-UHFFFAOYSA-N -1 1 352.416 2.040 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000732306547 673362487 /nfs/dbraw/zinc/36/24/87/673362487.db2.gz CWSWGYKLGJVRKT-UHFFFAOYSA-N -1 1 359.769 2.350 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Br)s1)C(F)(F)F ZINC000536336545 673367511 /nfs/dbraw/zinc/36/75/11/673367511.db2.gz JOUIVCGSZKZTAF-SSDOTTSWSA-N -1 1 368.196 2.102 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cn1 ZINC000536700748 673377086 /nfs/dbraw/zinc/37/70/86/673377086.db2.gz XLTTTYKLEJSPOT-UHFFFAOYSA-N -1 1 364.427 2.440 20 0 FEADMM CCc1nn(C)cc1NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000536936076 673381898 /nfs/dbraw/zinc/38/18/98/673381898.db2.gz FFRROCOTMDWVJZ-UHFFFAOYSA-N -1 1 367.431 2.007 20 0 FEADMM O=C(NCCNC(=O)c1c([O-])cccc1Cl)c1c(F)cccc1F ZINC000733002744 673392962 /nfs/dbraw/zinc/39/29/62/673392962.db2.gz 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ZINC000538950938 673468062 /nfs/dbraw/zinc/46/80/62/673468062.db2.gz AXKJABXKCJWPRW-UHFFFAOYSA-N -1 1 352.437 2.322 20 0 FEADMM COC(=O)c1c(OC)ccc(S(=O)(=O)[N-]c2ccccc2F)c1OC ZINC000538950096 673468158 /nfs/dbraw/zinc/46/81/58/673468158.db2.gz TXEIJMUEBIAFJI-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cnn(-c2ccccn2)c1 ZINC000538978617 673469366 /nfs/dbraw/zinc/46/93/66/673469366.db2.gz XSACRHCXJWNXSJ-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM CS(=O)(=O)Cc1c2ccccc2oc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734875639 673474922 /nfs/dbraw/zinc/47/49/22/673474922.db2.gz AXXOAXZBKPRQPV-UHFFFAOYSA-N -1 1 361.379 2.490 20 0 FEADMM COc1ccccc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539989268 673518405 /nfs/dbraw/zinc/51/84/05/673518405.db2.gz NCTDQIKAODRNST-UHFFFAOYSA-N -1 1 362.407 2.094 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C12CCC(CC1)C2 ZINC000541439465 673552867 /nfs/dbraw/zinc/55/28/67/673552867.db2.gz RQACZDWTRIRHMP-UHFFFAOYSA-N -1 1 350.440 2.352 20 0 FEADMM Cc1nc(-c2ccc(NC[C@@H]3CCCCS3(=O)=O)nc2)[n-]c(=O)c1C ZINC000542259436 673571047 /nfs/dbraw/zinc/57/10/47/673571047.db2.gz NHYXRILQWURYIB-AWEZNQCLSA-N -1 1 362.455 2.240 20 0 FEADMM O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737836375 673583455 /nfs/dbraw/zinc/58/34/55/673583455.db2.gz MOGYZYOLKFYCOX-CYBMUJFWSA-N -1 1 370.240 2.429 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cn1 ZINC000542753263 673602254 /nfs/dbraw/zinc/60/22/54/673602254.db2.gz CFFGWQKBKDUCIA-GFCCVEGCSA-N -1 1 366.361 2.268 20 0 FEADMM CC(C)COc1ccc(NC(=O)c2cc(=O)n3[n-]cnc3n2)cc1Cl ZINC000542772541 673604265 /nfs/dbraw/zinc/60/42/65/673604265.db2.gz UAUNGKLMNCMFRJ-UHFFFAOYSA-N -1 1 361.789 2.358 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000542799716 673606928 /nfs/dbraw/zinc/60/69/28/673606928.db2.gz VZGBRAWIBNZXHD-UHFFFAOYSA-N -1 1 355.338 2.483 20 0 FEADMM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738253664 673613300 /nfs/dbraw/zinc/61/33/00/673613300.db2.gz FOEGWEMXZYYECO-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000542936114 673616205 /nfs/dbraw/zinc/61/62/05/673616205.db2.gz VUQIIZFSXHGFME-UHFFFAOYSA-N -1 1 361.354 2.380 20 0 FEADMM COc1ccc(NC(=O)c2cccc3c2OCO3)cc1[N-]S(C)(=O)=O ZINC000614238621 676166663 /nfs/dbraw/zinc/16/66/63/676166663.db2.gz NQLFVBQGBWMKJP-UHFFFAOYSA-N -1 1 364.379 2.048 20 0 FEADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ncccc1F ZINC000614223520 676165602 /nfs/dbraw/zinc/16/56/02/676165602.db2.gz CXAUKUBSTLCEJA-SNVBAGLBSA-N -1 1 369.418 2.382 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1)C(=O)OCC ZINC000599276988 673652305 /nfs/dbraw/zinc/65/23/05/673652305.db2.gz DNOZVMZFYWXFEX-IRJXADNDSA-N -1 1 373.446 2.331 20 0 FEADMM C/C=C\C[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1)C(=O)OCC ZINC000599276986 673652311 /nfs/dbraw/zinc/65/23/11/673652311.db2.gz DNOZVMZFYWXFEX-HZYFSWNCSA-N -1 1 373.446 2.331 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCc2ccco2)c1F ZINC000599350917 673662684 /nfs/dbraw/zinc/66/26/84/673662684.db2.gz WKNKPTPDTBLZQX-UHFFFAOYSA-N -1 1 359.350 2.256 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC2CCC(OC)CC2)o1 ZINC000543689729 673663072 /nfs/dbraw/zinc/66/30/72/673663072.db2.gz ZFMOUBQCSSOJKO-UHFFFAOYSA-N -1 1 359.444 2.330 20 0 FEADMM O=C(NCc1nn[n-]n1)C1(c2ccc(Br)cc2)CCCC1 ZINC000599377596 673666436 /nfs/dbraw/zinc/66/64/36/673666436.db2.gz WUHOMCZDVYMIPS-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@]1(C(=O)OC)CCCC(C)(C)C1)C1CC1 ZINC000599406640 673671017 /nfs/dbraw/zinc/67/10/17/673671017.db2.gz IJALVNOJCUCYEI-WMLDXEAASA-N -1 1 361.504 2.233 20 0 FEADMM O=C(NC[C@H](O)c1c(F)cccc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000741263995 673678151 /nfs/dbraw/zinc/67/81/51/673678151.db2.gz MQCGIJCQBGSCAO-ZDUSSCGKSA-N -1 1 361.760 2.179 20 0 FEADMM COC[C@@H](C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000544105121 673689962 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CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1N(C)C)C1CC1 ZINC000600655115 673786502 /nfs/dbraw/zinc/78/65/02/673786502.db2.gz ITDHLTVVARZOOV-INIZCTEOSA-N -1 1 370.471 2.096 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccc(F)cc3F)no2)o1 ZINC000546273550 673799026 /nfs/dbraw/zinc/79/90/26/673799026.db2.gz XQGCZDJHWURGKH-UHFFFAOYSA-N -1 1 355.322 2.107 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnc3sccn3c2=O)c1 ZINC000744591893 673802714 /nfs/dbraw/zinc/80/27/14/673802714.db2.gz IMSYDRCQXHMDTM-UHFFFAOYSA-N -1 1 358.375 2.064 20 0 FEADMM C[C@H](SCc1ccccc1)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600874772 673804931 /nfs/dbraw/zinc/80/49/31/673804931.db2.gz NCKOSDQTUNDFOE-AWEZNQCLSA-N -1 1 350.484 2.316 20 0 FEADMM CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000546872451 673824019 /nfs/dbraw/zinc/82/40/19/673824019.db2.gz RTBUXQDQLZPXQZ-PRHODGIISA-N -1 1 363.195 2.134 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1C(=O)OC)C(F)(F)F ZINC000601401107 673855986 /nfs/dbraw/zinc/85/59/86/673855986.db2.gz GIIIGCOXTOXRGY-NSHDSACASA-N -1 1 355.334 2.101 20 0 FEADMM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000746173729 673865923 /nfs/dbraw/zinc/86/59/23/673865923.db2.gz JLRVOFFLVDFLRO-CQSZACIVSA-N -1 1 361.467 2.443 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)Nc2ccccc2)c(F)c1 ZINC000601529388 673878340 /nfs/dbraw/zinc/87/83/40/673878340.db2.gz MIATVTQAJJGBFD-JTQLQIEISA-N -1 1 370.377 2.279 20 0 FEADMM Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ncc(C)cc2[O-])s1 ZINC000547652655 673878543 /nfs/dbraw/zinc/87/85/43/673878543.db2.gz JFKNJQLLEQEIAQ-SNVBAGLBSA-N -1 1 364.452 2.014 20 0 FEADMM CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000548336142 673951067 /nfs/dbraw/zinc/95/10/67/673951067.db2.gz INZFSOWOZQCTCY-STQMWFEESA-N -1 1 370.500 2.175 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000615219531 676207690 /nfs/dbraw/zinc/20/76/90/676207690.db2.gz ABDIBLWDYSMVJN-UHFFFAOYSA-N -1 1 357.819 2.270 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C2(CF)CCC2)c1 ZINC000566912954 675252493 /nfs/dbraw/zinc/25/24/93/675252493.db2.gz WVSGFCFECQDDPQ-UHFFFAOYSA-N -1 1 363.382 2.182 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)s1 ZINC000567360434 675287365 /nfs/dbraw/zinc/28/73/65/675287365.db2.gz ZTBMHDNATLXAHW-UHFFFAOYSA-N -1 1 362.502 2.165 20 0 FEADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000819876531 675318091 /nfs/dbraw/zinc/31/80/91/675318091.db2.gz WSINVGOBHYHNRF-OAHLLOKOSA-N -1 1 357.378 2.294 20 0 FEADMM Cc1ccc(Br)nc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820068998 675334501 /nfs/dbraw/zinc/33/45/01/675334501.db2.gz WXSWOPCHWDLRGN-UHFFFAOYSA-N -1 1 367.203 2.261 20 0 FEADMM COc1ccc(Cn2cc([N-]S(=O)(=O)C[C@H](OC)C3CC3)cn2)cc1 ZINC000568087782 675350036 /nfs/dbraw/zinc/35/00/36/675350036.db2.gz VDPZMIVPVPPTRX-KRWDZBQOSA-N -1 1 365.455 2.107 20 0 FEADMM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000615816504 676230550 /nfs/dbraw/zinc/23/05/50/676230550.db2.gz SWJGBLNBTKACLR-PXWWUCIGSA-N -1 1 353.802 2.468 20 0 FEADMM CCc1nc(SCC(=O)NC(=O)NCc2ccccc2)[n-]c(=O)c1C ZINC000568272175 675363104 /nfs/dbraw/zinc/36/31/04/675363104.db2.gz QRQCHUPBCXVTAD-UHFFFAOYSA-N -1 1 360.439 2.171 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000568437390 675373809 /nfs/dbraw/zinc/37/38/09/675373809.db2.gz DIPYRRZPSMNYPX-LLVKDONJSA-N -1 1 355.309 2.232 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cccc(Oc2cnccn2)c1 ZINC000821144228 675418380 /nfs/dbraw/zinc/41/83/80/675418380.db2.gz AJJXRNZCFIJAIB-UHFFFAOYSA-N -1 1 368.440 2.187 20 0 FEADMM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822534816 675490748 /nfs/dbraw/zinc/49/07/48/675490748.db2.gz AGYGJRUCKVXWBK-UHFFFAOYSA-N -1 1 357.355 2.061 20 0 FEADMM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822534816 675490749 /nfs/dbraw/zinc/49/07/49/675490749.db2.gz AGYGJRUCKVXWBK-UHFFFAOYSA-N -1 1 357.355 2.061 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCN(Cc2cn[nH]c2)CC1 ZINC000823021493 675523748 /nfs/dbraw/zinc/52/37/48/675523748.db2.gz MZUPIQCUGZTASH-UHFFFAOYSA-N -1 1 354.332 2.092 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NC2([C@@H](C)O)CC2)c1 ZINC000823693359 675567668 /nfs/dbraw/zinc/56/76/68/675567668.db2.gz GQLBHGWNKNWXKM-SNVBAGLBSA-N -1 1 359.348 2.208 20 0 FEADMM O=C(Nc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826459618 675688539 /nfs/dbraw/zinc/68/85/39/675688539.db2.gz RCHKLMFDSADYOA-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826459618 675688541 /nfs/dbraw/zinc/68/85/41/675688541.db2.gz RCHKLMFDSADYOA-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccnn2C2CCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000826687277 675700466 /nfs/dbraw/zinc/70/04/66/675700466.db2.gz YZKMTGQEJOLORC-PWSUYJOCSA-N -1 1 358.364 2.137 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nn(C)cc2C(F)F)c(=O)[n-]1 ZINC000826799162 675706561 /nfs/dbraw/zinc/70/65/61/675706561.db2.gz ZNYZOLGOJGAFRL-UHFFFAOYSA-N -1 1 371.413 2.133 20 0 FEADMM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000826870451 675711649 /nfs/dbraw/zinc/71/16/49/675711649.db2.gz PPWNKJYDKMVFET-NSHDSACASA-N -1 1 374.857 2.075 20 0 FEADMM Cc1cccc(-c2nnc3n2C[C@H](C(=O)[N-]OCC(F)(F)F)CC3)c1 ZINC000827035876 675724725 /nfs/dbraw/zinc/72/47/25/675724725.db2.gz UVWXJDYJUAQJET-GFCCVEGCSA-N -1 1 354.332 2.426 20 0 FEADMM Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)no1 ZINC000828365232 675815809 /nfs/dbraw/zinc/81/58/09/675815809.db2.gz SATCKHYHWGWDIW-LBPRGKRZSA-N -1 1 358.427 2.467 20 0 FEADMM COc1ccc(CC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000828679970 675836874 /nfs/dbraw/zinc/83/68/74/675836874.db2.gz JPGSAPWWRYHRPX-INIZCTEOSA-N -1 1 358.360 2.216 20 0 FEADMM CCCc1cc(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc(=O)[nH]1 ZINC000828681074 675836979 /nfs/dbraw/zinc/83/69/79/675836979.db2.gz REOXKBITSRQFAR-OAHLLOKOSA-N -1 1 359.348 2.023 20 0 FEADMM COc1cc(NC(=O)N[C@@H](C)C[C@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000607208134 675860812 /nfs/dbraw/zinc/86/08/12/675860812.db2.gz PQELXGTYTSGHIW-WCQYABFASA-N -1 1 371.459 2.146 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1 ZINC000607616826 675871195 /nfs/dbraw/zinc/87/11/95/675871195.db2.gz STFAKZFNRNFQDN-UHFFFAOYSA-N -1 1 359.407 2.331 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC3CC3)c2)o1 ZINC000608252056 675887719 /nfs/dbraw/zinc/88/77/19/675887719.db2.gz XXCIFPCBLHPKJJ-UHFFFAOYSA-N -1 1 366.443 2.215 20 0 FEADMM CCOc1cc(C(=O)NCCN2C[C@H](C)OC[C@H]2C)cc(Cl)c1[O-] ZINC000617743321 676302363 /nfs/dbraw/zinc/30/23/63/676302363.db2.gz IIBKKVFMFRAGRU-NEPJUHHUSA-N -1 1 356.850 2.283 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3nccs3)c2)n1 ZINC000619142961 676365020 /nfs/dbraw/zinc/36/50/20/676365020.db2.gz VWNFYQSSZBHPNT-UHFFFAOYSA-N -1 1 357.395 2.035 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)co1 ZINC000677319904 679676343 /nfs/dbraw/zinc/67/63/43/679676343.db2.gz GRTUXTPTYSXWDS-UHFFFAOYSA-N -1 1 370.337 2.185 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@](C)(C(F)F)C2)c(=O)[n-]1 ZINC000621199225 676445618 /nfs/dbraw/zinc/44/56/18/676445618.db2.gz PIQMDAULJZKRBV-HNNXBMFYSA-N -1 1 361.414 2.028 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Cc3ccccc3Cl)nc2n1 ZINC000622994088 676514584 /nfs/dbraw/zinc/51/45/84/676514584.db2.gz CUTJBLCSKHVAAC-JTQLQIEISA-N -1 1 359.817 2.451 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)nc2n1 ZINC000622993485 676514638 /nfs/dbraw/zinc/51/46/38/676514638.db2.gz PCEQSPXSQAKSJR-NWDGAFQWSA-N -1 1 357.801 2.376 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)nc2n1 ZINC000622994991 676514887 /nfs/dbraw/zinc/51/48/87/676514887.db2.gz KTEQECPKMRFWKW-DTWKUNHWSA-N -1 1 357.336 2.287 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(F)cc3Cl)nc2n1 ZINC000622996963 676514898 /nfs/dbraw/zinc/51/48/98/676514898.db2.gz HGJNWRGUPODPKO-UHFFFAOYSA-N -1 1 363.780 2.344 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnc([C@@H]2CCCO2)s1 ZINC000677657055 679691283 /nfs/dbraw/zinc/69/12/83/679691283.db2.gz JBDBFNPBBIRBII-WCQYABFASA-N -1 1 356.411 2.027 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677692676 679693604 /nfs/dbraw/zinc/69/36/04/679693604.db2.gz FEPNFRWTBAMDJB-CQSZACIVSA-N -1 1 351.468 2.112 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625369845 676643092 /nfs/dbraw/zinc/64/30/92/676643092.db2.gz AVULPOXKGQEPCJ-DGCLKSJQSA-N -1 1 367.389 2.265 20 0 FEADMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000625668478 676666877 /nfs/dbraw/zinc/66/68/77/676666877.db2.gz LGKIYHAGNYPIIW-OCAPTIKFSA-N -1 1 370.215 2.431 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnc(OC)c(OC)c1 ZINC000628640028 676811922 /nfs/dbraw/zinc/81/19/22/676811922.db2.gz BYUIEAQPCPMQCF-UHFFFAOYSA-N -1 1 365.411 2.113 20 0 FEADMM CCOC1(CS(=O)(=O)[N-]c2cnn(CC(C)C)c2CC)CCOCC1 ZINC000629292283 676841872 /nfs/dbraw/zinc/84/18/72/676841872.db2.gz FZEOVZCVNLYZLG-UHFFFAOYSA-N -1 1 373.519 2.429 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629496715 676857205 /nfs/dbraw/zinc/85/72/05/676857205.db2.gz VLPJRTHBHZILOZ-FZMZJTMJSA-N -1 1 354.834 2.007 20 0 FEADMM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000629789880 676868524 /nfs/dbraw/zinc/86/85/24/676868524.db2.gz ZBGOIRLKLIXFBX-CMPLNLGQSA-N -1 1 368.187 2.106 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000630217699 676887540 /nfs/dbraw/zinc/88/75/40/676887540.db2.gz AIRINIKBMAFUHS-UPJWGTAASA-N -1 1 350.381 2.363 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000630221317 676887790 /nfs/dbraw/zinc/88/77/90/676887790.db2.gz XPGWQTJBTVLEHF-VHDGCEQUSA-N -1 1 350.846 2.451 20 0 FEADMM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630222959 676888080 /nfs/dbraw/zinc/88/80/80/676888080.db2.gz RKRCANYYFUGRDD-UHFFFAOYSA-N -1 1 359.348 2.030 20 0 FEADMM CSc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000630225746 676888387 /nfs/dbraw/zinc/88/83/87/676888387.db2.gz SHSZSJGESUFVDT-KBPBESRZSA-N -1 1 366.483 2.183 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)CC(=O)Nc2c([O-])cccc2F)cc1F ZINC000678374321 679727079 /nfs/dbraw/zinc/72/70/79/679727079.db2.gz DZOMBLULNSUUKH-UHFFFAOYSA-N -1 1 369.345 2.285 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000630905998 676925788 /nfs/dbraw/zinc/92/57/88/676925788.db2.gz YAGGLRKMVCQDLI-LBPRGKRZSA-N -1 1 356.213 2.039 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C(F)F)o1 ZINC000632001766 676969896 /nfs/dbraw/zinc/96/98/96/676969896.db2.gz BEDFIVHZBGJINK-NSHDSACASA-N -1 1 363.357 2.486 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000632010494 676970470 /nfs/dbraw/zinc/97/04/70/676970470.db2.gz YCTTYZRNUCZEFH-LLVKDONJSA-N -1 1 364.751 2.258 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)N(C)C)c2)sn1 ZINC000632028558 676971591 /nfs/dbraw/zinc/97/15/91/676971591.db2.gz LXJZTCUIMWTBQV-UHFFFAOYSA-N -1 1 354.457 2.024 20 0 FEADMM CCOCCCNC(=O)Cc1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632105127 676975917 /nfs/dbraw/zinc/97/59/17/676975917.db2.gz RGGLMUWFHMEPHU-UHFFFAOYSA-N -1 1 353.806 2.105 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)[C@]12CCCO2 ZINC000632211145 676981962 /nfs/dbraw/zinc/98/19/62/676981962.db2.gz FRLAWUCBQMRXKZ-JTNHKYCSSA-N -1 1 351.371 2.222 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)sn1 ZINC000632421352 676993268 /nfs/dbraw/zinc/99/32/68/676993268.db2.gz VGTAQOFODPCJAX-DYEKYZERSA-N -1 1 370.500 2.124 20 0 FEADMM C[C@H](CN(C)C(=O)C(C)(C)c1cccc(C(F)(F)F)n1)c1nn[n-]n1 ZINC000632436134 676993986 /nfs/dbraw/zinc/99/39/86/676993986.db2.gz DSTFBTNHVMHWOL-SECBINFHSA-N -1 1 356.352 2.153 20 0 FEADMM CCn1nnc(C)c1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000632495815 676997547 /nfs/dbraw/zinc/99/75/47/676997547.db2.gz IWZROASWOUPUDP-UHFFFAOYSA-N -1 1 363.468 2.208 20 0 FEADMM O=C1Nc2ccccc2CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632536823 677000596 /nfs/dbraw/zinc/00/05/96/677000596.db2.gz UTSDSZAIQCZAKX-NSHDSACASA-N -1 1 356.350 2.449 20 0 FEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)c2ncnn21 ZINC000632548015 677001327 /nfs/dbraw/zinc/00/13/27/677001327.db2.gz CBQSCDLPAGPVIN-JQWIXIFHSA-N -1 1 361.452 2.386 20 0 FEADMM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000632547195 677001388 /nfs/dbraw/zinc/00/13/88/677001388.db2.gz BZBMJBWMCYQKLQ-HBNTYKKESA-N -1 1 353.387 2.062 20 0 FEADMM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1=O ZINC000632595898 677004032 /nfs/dbraw/zinc/00/40/32/677004032.db2.gz YVYPHRQWGPEOFU-CYBMUJFWSA-N -1 1 356.350 2.209 20 0 FEADMM C[C@H](CC1CCC1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000632694071 677010769 /nfs/dbraw/zinc/01/07/69/677010769.db2.gz GSHMCMARUJEDQY-SNVBAGLBSA-N -1 1 364.464 2.054 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000632838000 677017974 /nfs/dbraw/zinc/01/79/74/677017974.db2.gz TYBQMOOVOGVEEF-LBPRGKRZSA-N -1 1 368.210 2.398 20 0 FEADMM COC(=O)N1CCC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000830184421 677029141 /nfs/dbraw/zinc/02/91/41/677029141.db2.gz FAKZIRBHQGZQON-UHFFFAOYSA-N -1 1 356.375 2.081 20 0 FEADMM COCC[C@@H](NC(=O)CCc1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000633348420 677044127 /nfs/dbraw/zinc/04/41/27/677044127.db2.gz ZVCFOQADCWHYEZ-GFCCVEGCSA-N -1 1 357.336 2.045 20 0 FEADMM CO[C@H](C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000830790513 677060737 /nfs/dbraw/zinc/06/07/37/677060737.db2.gz WJWSUGPFHQWUOO-SWLSCSKDSA-N -1 1 350.381 2.251 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCc3cccc(O)c32)C1 ZINC000830794889 677061002 /nfs/dbraw/zinc/06/10/02/677061002.db2.gz DWYWYBHYKNAWHN-MEDUHNTESA-N -1 1 356.344 2.092 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CC23CCSCC3)C1 ZINC000830796015 677061111 /nfs/dbraw/zinc/06/11/11/677061111.db2.gz UQZGLNUDFGZGJK-ZWNOBZJWSA-N -1 1 350.406 2.189 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000830823460 677063343 /nfs/dbraw/zinc/06/33/43/677063343.db2.gz VHMVBCUTGSNSQC-WBMJQRKESA-N -1 1 356.344 2.222 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)co1 ZINC000634373580 677075047 /nfs/dbraw/zinc/07/50/47/677075047.db2.gz IMWFQKBBJVJEDQ-MQMHXKEQSA-N -1 1 366.464 2.241 20 0 FEADMM CCc1[n-]n(-c2ccc(S(=O)(=O)NC(C)C)cn2)c(=O)c1C(C)C ZINC000634589289 677077799 /nfs/dbraw/zinc/07/77/99/677077799.db2.gz USCRSUKUIHHHOX-HNNXBMFYSA-N -1 1 352.460 2.153 20 0 FEADMM O=C1[C@H]2CCCC2=NN1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000634617667 677078076 /nfs/dbraw/zinc/07/80/76/677078076.db2.gz UZEMJCOKVDLJHW-LBPRGKRZSA-N -1 1 362.436 2.447 20 0 FEADMM O=c1c2c([nH]n1-c1ccc(S(=O)(=O)[N-]c3nccs3)cc1)CCC2 ZINC000634617667 677078077 /nfs/dbraw/zinc/07/80/77/677078077.db2.gz UZEMJCOKVDLJHW-LBPRGKRZSA-N -1 1 362.436 2.447 20 0 FEADMM CCCCn1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c(C)n1 ZINC000634656673 677078993 /nfs/dbraw/zinc/07/89/93/677078993.db2.gz ZVYUEDRBIJVQDL-UHFFFAOYSA-N -1 1 360.443 2.373 20 0 FEADMM COc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000634664301 677079619 /nfs/dbraw/zinc/07/96/19/677079619.db2.gz XWMFUANBEOGMSO-UHFFFAOYSA-N -1 1 371.846 2.190 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c1 ZINC000634787019 677082105 /nfs/dbraw/zinc/08/21/05/677082105.db2.gz GJOFMWPIPDFFRT-QGZVFWFLSA-N -1 1 373.471 2.038 20 0 FEADMM Cc1cc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)cc2n[nH]cc21 ZINC000634791283 677082624 /nfs/dbraw/zinc/08/26/24/677082624.db2.gz SAJZASHWIJAIIY-INIZCTEOSA-N -1 1 353.444 2.197 20 0 FEADMM C[C@@H](CC(=O)[O-])CC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000634831919 677083867 /nfs/dbraw/zinc/08/38/67/677083867.db2.gz NACQCMIAUGAZKS-ZBFHGGJFSA-N -1 1 350.484 2.221 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000635021324 677087737 /nfs/dbraw/zinc/08/77/37/677087737.db2.gz ZTHKCRHVTSVBKN-QAPCUYQASA-N -1 1 368.499 2.375 20 0 FEADMM COc1ccc([C@@H](C)NC(=O)CCCc2nn[n-]n2)cc1Br ZINC000635135445 677090651 /nfs/dbraw/zinc/09/06/51/677090651.db2.gz QEJGSPXANADIFB-SECBINFHSA-N -1 1 368.235 2.171 20 0 FEADMM Cc1sc(CCNC(=O)CCCc2nn[n-]n2)nc1-c1ccccc1 ZINC000635601362 677102906 /nfs/dbraw/zinc/10/29/06/677102906.db2.gz AJASDFITXDJTPN-UHFFFAOYSA-N -1 1 356.455 2.313 20 0 FEADMM CC(C)(NC(=O)CCCc1nn[n-]n1)c1ccccc1Br ZINC000635739697 677105521 /nfs/dbraw/zinc/10/55/21/677105521.db2.gz SXJPDZVNRSJSHB-UHFFFAOYSA-N -1 1 352.236 2.336 20 0 FEADMM O=C(CCCc1nn[n-]n1)NCc1cccc(Br)c1Cl ZINC000636023913 677112096 /nfs/dbraw/zinc/11/20/96/677112096.db2.gz VFDYXWAGYKNTIH-UHFFFAOYSA-N -1 1 358.627 2.255 20 0 FEADMM CN(Cc1ccc(Br)cc1F)C(=O)CCCc1nn[n-]n1 ZINC000636303440 677117043 /nfs/dbraw/zinc/11/70/43/677117043.db2.gz NRTRTMSXWXZXRA-UHFFFAOYSA-N -1 1 356.199 2.083 20 0 FEADMM COc1cccc(CCC(=O)NCc2cc(=O)[n-]c(SC)n2)c1F ZINC000640655339 677185310 /nfs/dbraw/zinc/18/53/10/677185310.db2.gz LIZGHIHACCUIBN-UHFFFAOYSA-N -1 1 351.403 2.301 20 0 FEADMM COC(C)(C)c1nc(C)c(C(=O)NCc2cc(=O)[n-]c(SC)n2)s1 ZINC000640654953 677185361 /nfs/dbraw/zinc/18/53/61/677185361.db2.gz GBMMZNPSYHUULT-UHFFFAOYSA-N -1 1 368.484 2.481 20 0 FEADMM COc1ccc(CCC(=O)NCc2cc(=O)[n-]c(SC)n2)cc1F ZINC000640658079 677185392 /nfs/dbraw/zinc/18/53/92/677185392.db2.gz MCUMUKOJBQPHOR-UHFFFAOYSA-N -1 1 351.403 2.301 20 0 FEADMM CSc1nc(CNC(=O)c2csc([C@H]3CCCO3)n2)cc(=O)[n-]1 ZINC000640656558 677185408 /nfs/dbraw/zinc/18/54/08/677185408.db2.gz RAFDYRMLDAOWPA-SNVBAGLBSA-N -1 1 352.441 2.142 20 0 FEADMM COCC1(S(=O)(=O)[N-]c2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000641693476 677214179 /nfs/dbraw/zinc/21/41/79/677214179.db2.gz FBXLOLAZWMUCSH-UHFFFAOYSA-N -1 1 357.382 2.380 20 0 FEADMM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000643849116 677233400 /nfs/dbraw/zinc/23/34/00/677233400.db2.gz UACHFJNFSOFTGN-KRWDZBQOSA-N -1 1 363.801 2.436 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1F ZINC000644279005 677241150 /nfs/dbraw/zinc/24/11/50/677241150.db2.gz MAKUXNUJYBKOGG-PRHODGIISA-N -1 1 359.316 2.397 20 0 FEADMM OCCCN1CCC[C@H](N=c2nc(-c3cc(F)cc(F)c3)[n-]s2)C1 ZINC000645250032 677256450 /nfs/dbraw/zinc/25/64/50/677256450.db2.gz GFTDEYPNMMFZMW-AWEZNQCLSA-N -1 1 354.426 2.164 20 0 FEADMM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1ncccc1C(F)(F)F ZINC000645631064 677266507 /nfs/dbraw/zinc/26/65/07/677266507.db2.gz GDQREZOECNKBRX-UHFFFAOYSA-N -1 1 372.372 2.289 20 0 FEADMM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645673236 677268130 /nfs/dbraw/zinc/26/81/30/677268130.db2.gz VVKIIOPEGHIUGU-ZDUSSCGKSA-N -1 1 374.384 2.291 20 0 FEADMM CCCC[C@](C)(CO)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000646289783 677281946 /nfs/dbraw/zinc/28/19/46/677281946.db2.gz GEKFZBHERZXWDQ-MRXNPFEDSA-N -1 1 373.475 2.129 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)cc1F ZINC000647125170 677295449 /nfs/dbraw/zinc/29/54/49/677295449.db2.gz CZJPANOBUDDPPE-AWEZNQCLSA-N -1 1 365.398 2.157 20 0 FEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(CN3CCSCC3)cc2)C1 ZINC000647251320 677298404 /nfs/dbraw/zinc/29/84/04/677298404.db2.gz PCRBLEGIKGYTRG-PBHICJAKSA-N -1 1 362.495 2.418 20 0 FEADMM O=S(=O)(CCCC1CCOCC1)[N-]c1cc([C@H]2CCCOC2)[nH]n1 ZINC000647275353 677299394 /nfs/dbraw/zinc/29/93/94/677299394.db2.gz WJKFSNLYOOLQHO-AWEZNQCLSA-N -1 1 357.476 2.252 20 0 FEADMM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1c[nH]nc1C(F)(F)F ZINC000647905455 677308201 /nfs/dbraw/zinc/30/82/01/677308201.db2.gz WCHPBEFBJJFRKW-VIFPVBQESA-N -1 1 365.308 2.370 20 0 FEADMM COCC1(CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)CC1 ZINC000648862900 677321857 /nfs/dbraw/zinc/32/18/57/677321857.db2.gz GAYIRMKWAWMROF-CYBMUJFWSA-N -1 1 353.785 2.015 20 0 FEADMM CC(C)(CNC(=O)c1cc(Br)ccc1[O-])[C@@]1(O)CCOC1 ZINC000649094703 677325764 /nfs/dbraw/zinc/32/57/64/677325764.db2.gz FZVSZYFIUNTGRE-OAHLLOKOSA-N -1 1 358.232 2.062 20 0 FEADMM C[C@@H]1[C@H](O)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000649501462 677331708 /nfs/dbraw/zinc/33/17/08/677331708.db2.gz KQMJANGBUQKXOY-MEBBXXQBSA-N -1 1 369.393 2.120 20 0 FEADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000650156092 677355263 /nfs/dbraw/zinc/35/52/63/677355263.db2.gz LEJMIGHZYXMARV-UHFFFAOYSA-N -1 1 363.460 2.405 20 0 FEADMM COC1(CS(=O)(=O)[N-]c2ccccc2-n2ccc(C)n2)CCOCC1 ZINC000650187804 677358309 /nfs/dbraw/zinc/35/83/09/677358309.db2.gz ZRBVGTRIDJSIHK-UHFFFAOYSA-N -1 1 365.455 2.118 20 0 FEADMM Cc1cc([N-]S(=O)(=O)N2CCCOCC2)nn1-c1cc(C)cc(C)c1 ZINC000650194114 677359065 /nfs/dbraw/zinc/35/90/65/677359065.db2.gz MPUOYMSSHOCZIB-UHFFFAOYSA-N -1 1 364.471 2.177 20 0 FEADMM CCOc1cc(C(=O)NCc2ncc3c(n2)CCOC3)cc(Cl)c1[O-] ZINC000652754716 677498580 /nfs/dbraw/zinc/49/85/80/677498580.db2.gz OOHSDHSJXXNRFY-UHFFFAOYSA-N -1 1 363.801 2.237 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccc(F)cc3[C@H](C)C2)o1 ZINC000652996273 677510731 /nfs/dbraw/zinc/51/07/31/677510731.db2.gz XXABOXWBGXVAMD-LLVKDONJSA-N -1 1 366.414 2.129 20 0 FEADMM C[C@@H]1CC[C@H](CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000838743229 680716761 /nfs/dbraw/zinc/71/67/61/680716761.db2.gz WJNYNWGMTQEDJS-OFTGVCEQSA-N -1 1 365.396 2.041 20 0 FEADMM O=C1CCc2ccc(S(=O)(=O)[N-]c3ccc(OCCCO)cc3)cc21 ZINC000655582323 677651087 /nfs/dbraw/zinc/65/10/87/677651087.db2.gz VETIOEVXMDWITD-UHFFFAOYSA-N -1 1 361.419 2.378 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c1Cl ZINC000761289035 680718134 /nfs/dbraw/zinc/71/81/34/680718134.db2.gz MBZQZWAFFKQNDR-ZDUSSCGKSA-N -1 1 372.874 2.109 20 0 FEADMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000655622245 677654268 /nfs/dbraw/zinc/65/42/68/677654268.db2.gz LFNGPINSPMDZCY-LLVKDONJSA-N -1 1 361.769 2.035 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655639154 677656271 /nfs/dbraw/zinc/65/62/71/677656271.db2.gz OEEOPUYGQSCGQJ-UTUOFQBUSA-N -1 1 364.870 2.255 20 0 FEADMM Cc1oc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1C(=O)[O-] ZINC000656182050 677725446 /nfs/dbraw/zinc/72/54/46/677725446.db2.gz ZVFLTZBDEGRCLF-SCZZXKLOSA-N -1 1 371.333 2.065 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(-c2ccc(C)o2)c1C)[C@H]1CCOC1 ZINC000656626488 677791436 /nfs/dbraw/zinc/79/14/36/677791436.db2.gz RJKJUAJTTWHRGR-GXTWGEPZSA-N -1 1 369.443 2.080 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)cc1F)[C@H]1CCOC1 ZINC000656630174 677795209 /nfs/dbraw/zinc/79/52/09/677795209.db2.gz XZJQSWCHJNWKJS-ZANVPECISA-N -1 1 369.361 2.220 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1F)C1CCCC1 ZINC000656631936 677796207 /nfs/dbraw/zinc/79/62/07/677796207.db2.gz RKZAMCWNTBULHH-MRXNPFEDSA-N -1 1 372.462 2.474 20 0 FEADMM O=c1ccccn1-c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(F)c1 ZINC000656634270 677797839 /nfs/dbraw/zinc/79/78/39/677797839.db2.gz ZONBQBVIFSZDIK-CQSZACIVSA-N -1 1 366.414 2.287 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F)[C@H]1CCOC1 ZINC000656730637 677820459 /nfs/dbraw/zinc/82/04/59/677820459.db2.gz KJXFGABCSGLYKE-XVKPBYJWSA-N -1 1 357.325 2.036 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1nc2cccnc2n1C)C1CCCCC1 ZINC000656732622 677821779 /nfs/dbraw/zinc/82/17/79/677821779.db2.gz YSXHSPPMGSKWCH-AWEZNQCLSA-N -1 1 352.460 2.305 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccncc1)c1nc(-c2cccnc2)no1 ZINC000656892485 677854021 /nfs/dbraw/zinc/85/40/21/677854021.db2.gz PJBOUBIYOZSKQU-AWEZNQCLSA-N -1 1 359.411 2.202 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1ncccc1Br)c1cccnc1 ZINC000657014377 677911259 /nfs/dbraw/zinc/91/12/59/677911259.db2.gz BCCSGNLLBLBJNR-UHFFFAOYSA-N -1 1 370.272 2.495 20 0 FEADMM COC[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)OC ZINC000657050597 677924957 /nfs/dbraw/zinc/92/49/57/677924957.db2.gz KCTBIWXRDFCNOL-SECBINFHSA-N -1 1 360.234 2.462 20 0 FEADMM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000657092699 677942871 /nfs/dbraw/zinc/94/28/71/677942871.db2.gz BKGVJZPGWQRUOU-OLZOCXBDSA-N -1 1 358.410 2.177 20 0 FEADMM Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2cccc(F)c2F)cn1 ZINC000657176936 677972943 /nfs/dbraw/zinc/97/29/43/677972943.db2.gz LOUQAFXJNAOPRV-GXTWGEPZSA-N -1 1 355.410 2.388 20 0 FEADMM O=C([N-]c1ccncc1F)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000839314006 680748577 /nfs/dbraw/zinc/74/85/77/680748577.db2.gz VGOCMLNOFNNQSP-UHFFFAOYSA-N -1 1 370.352 2.357 20 0 FEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000762473901 680750796 /nfs/dbraw/zinc/75/07/96/680750796.db2.gz NPWDOJQVIPQXCQ-UHFFFAOYSA-N -1 1 357.334 2.045 20 0 FEADMM CN(C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1)S(C)(=O)=O ZINC000659795567 678207356 /nfs/dbraw/zinc/20/73/56/678207356.db2.gz IHOZBMIMVDBOSW-GFCCVEGCSA-N -1 1 374.890 2.142 20 0 FEADMM O=S(=O)([N-]C1(CO)CC1)c1cc(Cl)c(Br)cc1F ZINC000659936333 678234118 /nfs/dbraw/zinc/23/41/18/678234118.db2.gz PVLJUCUAFNDZEP-UHFFFAOYSA-N -1 1 358.616 2.045 20 0 FEADMM CC1(C)[C@H](C[N-]S(=O)(=O)c2ncccc2Br)C1(F)F ZINC000660021694 678256053 /nfs/dbraw/zinc/25/60/53/678256053.db2.gz GCGMGTSWLTZQOL-QMMMGPOBSA-N -1 1 355.204 2.414 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCN2Cc2ccccc2)sc1C ZINC000660132664 678290693 /nfs/dbraw/zinc/29/06/93/678290693.db2.gz UIOXOXODRDMCCE-HNNXBMFYSA-N -1 1 351.497 2.313 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000839829064 680782099 /nfs/dbraw/zinc/78/20/99/680782099.db2.gz HTRWIWQIQHDCPG-UKRRQHHQSA-N -1 1 361.829 2.033 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccnc(OCCO)c1 ZINC000663301498 678720741 /nfs/dbraw/zinc/72/07/41/678720741.db2.gz KSOAKIQMRPJVSH-UHFFFAOYSA-N -1 1 350.440 2.378 20 0 FEADMM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000765081526 680830153 /nfs/dbraw/zinc/83/01/53/680830153.db2.gz WMILCXAGADEJKZ-UHFFFAOYSA-N -1 1 355.782 2.199 20 0 FEADMM Cc1nccc(N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1Cl ZINC000668170796 679153137 /nfs/dbraw/zinc/15/31/37/679153137.db2.gz RPAGMHRQFGIVHR-ZBFHGGJFSA-N -1 1 359.813 2.304 20 0 FEADMM O=C(CCOc1ccc(Cl)c(F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000668869228 679205298 /nfs/dbraw/zinc/20/52/98/679205298.db2.gz 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Cc1nc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)sc1C ZINC000676414205 679632352 /nfs/dbraw/zinc/63/23/52/679632352.db2.gz NHWFUBARUUYZFY-UHFFFAOYSA-N -1 1 365.480 2.365 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(O)c(OC)c2)c(F)c1 ZINC000676846224 679644479 /nfs/dbraw/zinc/64/44/79/679644479.db2.gz CITUTSHKMXJKNP-UHFFFAOYSA-N -1 1 359.350 2.166 20 0 FEADMM Cc1cccc(C)c1OC[C@H](O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000676849771 679644748 /nfs/dbraw/zinc/64/47/48/679644748.db2.gz BFHDVTYIEJFGIC-CQSZACIVSA-N -1 1 371.405 2.300 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)ccc1F ZINC000747606583 679892367 /nfs/dbraw/zinc/89/23/67/679892367.db2.gz NFSSSEPTKZZSHZ-UHFFFAOYSA-N -1 1 361.354 2.356 20 0 FEADMM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-][C@@H]1CCCCC12OCCO2 ZINC000830918289 679895248 /nfs/dbraw/zinc/89/52/48/679895248.db2.gz ANTAABZLNXJLFO-CHWSQXEVSA-N -1 1 353.431 2.417 20 0 FEADMM O=C(C[C@H]1CSc2ccccc2O1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831121450 679927349 /nfs/dbraw/zinc/92/73/49/679927349.db2.gz 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WZOUJAJXBZBQMO-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM COc1ccc(CCS(=O)(=O)[N-]c2cc([C@H]3CCCOC3)[nH]n2)cc1 ZINC000800786467 674076196 /nfs/dbraw/zinc/07/61/96/674076196.db2.gz MLWUGWRQRHVBGV-AWEZNQCLSA-N -1 1 365.455 2.297 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000029434878 539852968 /nfs/dbraw/zinc/85/29/68/539852968.db2.gz DOCJZTGNYNQEDO-UHFFFAOYSA-N -1 1 363.439 2.450 20 0 FEADMM COc1ccc(NC(=O)CCc2c(C)noc2C)cc1[N-]S(C)(=O)=O ZINC000029817933 539865066 /nfs/dbraw/zinc/86/50/66/539865066.db2.gz CKEGWICEUJIUAB-UHFFFAOYSA-N -1 1 367.427 2.243 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCOC[C@H]2C)cc1 ZINC000029914520 539868371 /nfs/dbraw/zinc/86/83/71/539868371.db2.gz VERJGJRZTGRLCB-GFCCVEGCSA-N -1 1 362.455 2.254 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cn[nH]c3)cc2)cc1 ZINC000030663487 539888653 /nfs/dbraw/zinc/88/86/53/539888653.db2.gz XQHOTQLWTLEQTD-UHFFFAOYSA-N -1 1 372.406 2.471 20 0 FEADMM COc1ccc(CC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000033067323 539966448 /nfs/dbraw/zinc/96/64/48/539966448.db2.gz BMLIZHWCJDAWRZ-UHFFFAOYSA-N -1 1 364.423 2.257 20 0 FEADMM CNC(=O)c1ccc(=NCCNc2ncc(C(F)(F)F)cc2Cl)[n-]n1 ZINC000530828924 540052062 /nfs/dbraw/zinc/05/20/62/540052062.db2.gz BBFXBRWAGCNISZ-UHFFFAOYSA-N -1 1 374.754 2.427 20 0 FEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1 ZINC000800942814 674092508 /nfs/dbraw/zinc/09/25/08/674092508.db2.gz GNYIHZIZZUKTKX-UHFFFAOYSA-N -1 1 357.325 2.479 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000044259366 540121590 /nfs/dbraw/zinc/12/15/90/540121590.db2.gz NMFRFGUXHYYQLF-UHFFFAOYSA-N -1 1 370.452 2.176 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(C2CC2)C1)c1sccc1Br ZINC000044679206 540135945 /nfs/dbraw/zinc/13/59/45/540135945.db2.gz WBPQWYFURYHMSK-MRVPVSSYSA-N -1 1 351.291 2.026 20 0 FEADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000048443657 540362433 /nfs/dbraw/zinc/36/24/33/540362433.db2.gz IHBYOYPOQITNHQ-APPZFPTMSA-N -1 1 370.290 2.377 20 0 FEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n[nH]1 ZINC000050535150 540408194 /nfs/dbraw/zinc/40/81/94/540408194.db2.gz CUUZTXRICUNJCX-UHFFFAOYSA-N -1 1 372.406 2.352 20 0 FEADMM O=S(=O)([N-]CCN1CCc2sccc2C1)c1cc(F)ccc1F ZINC000053685844 540549369 /nfs/dbraw/zinc/54/93/69/540549369.db2.gz DEJOKAMWWRQVPY-UHFFFAOYSA-N -1 1 358.435 2.363 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 ZINC000055162775 540632268 /nfs/dbraw/zinc/63/22/68/540632268.db2.gz GRKNAONEHQFGSU-UHFFFAOYSA-N -1 1 354.366 2.133 20 0 FEADMM COc1ccc(-n2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)n2)cc1 ZINC000055192985 540634203 /nfs/dbraw/zinc/63/42/03/540634203.db2.gz WANBSBCNLHWHOP-UHFFFAOYSA-N -1 1 352.276 2.270 20 0 FEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000055596531 540662537 /nfs/dbraw/zinc/66/25/37/540662537.db2.gz ITYKQMDTEJHAHW-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)ccc1O ZINC000055584602 540661362 /nfs/dbraw/zinc/66/13/62/540661362.db2.gz BSSJZLWTSRENPP-UHFFFAOYSA-N -1 1 373.390 2.370 20 0 FEADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 ZINC000055589408 540661727 /nfs/dbraw/zinc/66/17/27/540661727.db2.gz BVPNQWAEYPYACF-UHFFFAOYSA-N -1 1 361.423 2.162 20 0 FEADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1C ZINC000055674341 540670077 /nfs/dbraw/zinc/67/00/77/540670077.db2.gz SLBVWIUBPMFUMQ-UHFFFAOYSA-N -1 1 361.423 2.162 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc3c2OCCO3)c(=O)[n-]1 ZINC000055951891 540689743 /nfs/dbraw/zinc/68/97/43/540689743.db2.gz KSYHUTAQFJZVQN-UHFFFAOYSA-N -1 1 361.423 2.143 20 0 FEADMM COc1cc(CN2CCN(c3nc(=N)[n-]s3)CC2)cc(Cl)c1OC ZINC000538812919 540893831 /nfs/dbraw/zinc/89/38/31/540893831.db2.gz PJJLQIITGVHEAO-UHFFFAOYSA-N -1 1 369.878 2.113 20 0 FEADMM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000060357826 541107476 /nfs/dbraw/zinc/10/74/76/541107476.db2.gz HCMRCBGHENWFRU-UHFFFAOYSA-N -1 1 360.426 2.330 20 0 FEADMM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000065793858 541262055 /nfs/dbraw/zinc/26/20/55/541262055.db2.gz NTUYQZCGOSCGFZ-ZCFIWIBFSA-N -1 1 351.268 2.350 20 0 FEADMM CCn1c(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)n[n-]c1=S ZINC000066636171 541351420 /nfs/dbraw/zinc/35/14/20/541351420.db2.gz SYFZTHNWVCFUDG-UHFFFAOYSA-N -1 1 357.443 2.088 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000542199204 541356071 /nfs/dbraw/zinc/35/60/71/541356071.db2.gz JKBXUBOOVVJBGF-UHFFFAOYSA-N -1 1 374.788 2.083 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066888251 541385835 /nfs/dbraw/zinc/38/58/35/541385835.db2.gz BWESSDWMKPEQFS-UHFFFAOYSA-N -1 1 368.437 2.200 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)n[n-]c1=S ZINC000066928269 541395940 /nfs/dbraw/zinc/39/59/40/541395940.db2.gz MCEXVMBGRNOJMY-CPCZMJQVSA-N -1 1 365.503 2.004 20 0 FEADMM Cc1noc(CCC[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000066935126 541396608 /nfs/dbraw/zinc/39/66/08/541396608.db2.gz 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541419588 /nfs/dbraw/zinc/41/95/88/541419588.db2.gz ZCKLNPPDTOVHFP-CYBMUJFWSA-N -1 1 356.831 2.028 20 0 FEADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(C(N)=O)n2)[nH][n-]1 ZINC000542883536 541495306 /nfs/dbraw/zinc/49/53/06/541495306.db2.gz SJZNJMHRGOXTHD-UHFFFAOYSA-N -1 1 371.784 2.485 20 0 FEADMM CC(=O)NC[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000067594833 541486213 /nfs/dbraw/zinc/48/62/13/541486213.db2.gz QHSQMWNXLMSDQC-LLVKDONJSA-N -1 1 355.232 2.143 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H](NC(=O)OC)C(C)C)CC1 ZINC000068452077 541594283 /nfs/dbraw/zinc/59/42/83/541594283.db2.gz ZJRKYIWQTIQALW-LBPRGKRZSA-N -1 1 369.491 2.047 20 0 FEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)cc1 ZINC000068462552 541595127 /nfs/dbraw/zinc/59/51/27/541595127.db2.gz NYNNGGGZSCCBGJ-CQSZACIVSA-N -1 1 370.402 2.403 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c(C)c1 ZINC000071081849 541762649 /nfs/dbraw/zinc/76/26/49/541762649.db2.gz GDKXUCHBYAWREU-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1c(F)cc(F)cc1F ZINC000071092388 541763592 /nfs/dbraw/zinc/76/35/92/541763592.db2.gz IPMRJWPNZZFGDG-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM CC(C)OC[C@H](O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801357518 674123992 /nfs/dbraw/zinc/12/39/92/674123992.db2.gz GPPUVOTWEDNUHL-ZDUSSCGKSA-N -1 1 354.790 2.174 20 0 FEADMM Cc1cccc2[nH]cc(CC(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)c21 ZINC000074162239 542045633 /nfs/dbraw/zinc/04/56/33/542045633.db2.gz FLJUCNWZPVXEOP-UHFFFAOYSA-N -1 1 363.421 2.288 20 0 FEADMM O=C(COC(F)(F)F)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000827943396 675788119 /nfs/dbraw/zinc/78/81/19/675788119.db2.gz JWUYCFRWAWQWPW-UHFFFAOYSA-N -1 1 352.740 2.226 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cccnc3-n3cccn3)cnc2n1 ZINC000076948477 542332591 /nfs/dbraw/zinc/33/25/91/542332591.db2.gz VMEOMSSATSBJNE-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3cccnc3-n3cccn3)c[n-]c2n1 ZINC000076948477 542332595 /nfs/dbraw/zinc/33/25/95/542332595.db2.gz VMEOMSSATSBJNE-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1cc(F)ccc1F ZINC000077137653 542347374 /nfs/dbraw/zinc/34/73/74/542347374.db2.gz BFJMNQFAULUMQR-GFCCVEGCSA-N -1 1 358.366 2.347 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000078809253 542482341 /nfs/dbraw/zinc/48/23/41/542482341.db2.gz QBJQFGRXPOHFEQ-UHFFFAOYSA-N -1 1 356.426 2.330 20 0 FEADMM CCO[C@@H](CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C1CCCC1 ZINC000080030008 542559223 /nfs/dbraw/zinc/55/92/23/542559223.db2.gz MYHDWNMSGUIFHI-KRWDZBQOSA-N -1 1 374.485 2.284 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@H](Cc4cnn(C)c4)C3)nc2)[n-]c(=O)c1C ZINC000080690875 542602130 /nfs/dbraw/zinc/60/21/30/542602130.db2.gz KXEBMCWSFXVVMY-OAHLLOKOSA-N -1 1 364.453 2.251 20 0 FEADMM O=C(c1cncc([O-])c1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000089460939 542763766 /nfs/dbraw/zinc/76/37/66/542763766.db2.gz MNBDEDJCRXSRGM-ZDUSSCGKSA-N -1 1 353.300 2.495 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000092527835 542869195 /nfs/dbraw/zinc/86/91/95/542869195.db2.gz JTGSMBMJFRJAPM-AWEZNQCLSA-N -1 1 357.414 2.175 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1(C)Cc2ccccc2C1 ZINC000092595373 542873840 /nfs/dbraw/zinc/87/38/40/542873840.db2.gz KVNBIERSAXFMKR-UHFFFAOYSA-N -1 1 374.444 2.357 20 0 FEADMM FC(F)c1nnc2ccc(NCCc3n[n-]c(=S)n3C3CC3)nn21 ZINC000092651747 542877374 /nfs/dbraw/zinc/87/73/74/542877374.db2.gz YDLQRFAYNJFBQY-UHFFFAOYSA-N -1 1 352.374 2.305 20 0 FEADMM CC(C)COC(=O)N1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000101858410 543046782 /nfs/dbraw/zinc/04/67/82/543046782.db2.gz UJSRPEBHISQMMB-UHFFFAOYSA-N -1 1 363.340 2.267 20 0 FEADMM Cc1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)[nH]n1 ZINC000102381043 543067622 /nfs/dbraw/zinc/06/76/22/543067622.db2.gz HSKNASWKWLSHER-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM COc1ccc([C@H](C)N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000103941113 543118748 /nfs/dbraw/zinc/11/87/48/543118748.db2.gz UJQXXZWSOJVBIH-ZDUSSCGKSA-N -1 1 368.437 2.410 20 0 FEADMM Cc1cccc2c1CC[C@@H]2NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104927372 543151002 /nfs/dbraw/zinc/15/10/02/543151002.db2.gz ABYQVZWWFNFDMP-KRWDZBQOSA-N -1 1 350.422 2.294 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1 ZINC000109424283 543324542 /nfs/dbraw/zinc/32/45/42/543324542.db2.gz MWOMURDINMDKJU-UHFFFAOYSA-N -1 1 361.467 2.232 20 0 FEADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cncc([O-])c1)CC3 ZINC000109945217 543344614 /nfs/dbraw/zinc/34/46/14/543344614.db2.gz WDLIGVYDIWNQHL-UHFFFAOYSA-N -1 1 351.362 2.254 20 0 FEADMM CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)COC1 ZINC000112693886 543457689 /nfs/dbraw/zinc/45/76/89/543457689.db2.gz YKNVRRZPWFGMCW-UHFFFAOYSA-N -1 1 360.435 2.254 20 0 FEADMM CN(c1ccccc1)c1ccccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000113421602 543487064 /nfs/dbraw/zinc/48/70/64/543487064.db2.gz RORYCHJFGKDKJD-UHFFFAOYSA-N -1 1 371.422 2.228 20 0 FEADMM CN(c1ccccc1)c1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000113421602 543487066 /nfs/dbraw/zinc/48/70/66/543487066.db2.gz RORYCHJFGKDKJD-UHFFFAOYSA-N -1 1 371.422 2.228 20 0 FEADMM Cc1ccc(-c2ccsc2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000113421514 543487155 /nfs/dbraw/zinc/48/71/55/543487155.db2.gz QERJDKVHIIKTFR-UHFFFAOYSA-N -1 1 362.436 2.497 20 0 FEADMM Cc1ccc(-c2ccsc2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000113421514 543487158 /nfs/dbraw/zinc/48/71/58/543487158.db2.gz QERJDKVHIIKTFR-UHFFFAOYSA-N -1 1 362.436 2.497 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCC3(C(=O)N(C)C)CCCC3)cnc2n1 ZINC000113442842 543488208 /nfs/dbraw/zinc/48/82/08/543488208.db2.gz ALINVORQDDWYEH-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC1(C(=O)N(C)C)CCCC1)c2=O ZINC000113442842 543488210 /nfs/dbraw/zinc/48/82/10/543488210.db2.gz ALINVORQDDWYEH-UHFFFAOYSA-N -1 1 356.426 2.022 20 0 FEADMM Cc1cc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)nc2ccccc12 ZINC000114412841 543513932 /nfs/dbraw/zinc/51/39/32/543513932.db2.gz BWQMZKBJMJXLII-UHFFFAOYSA-N -1 1 361.405 2.426 20 0 FEADMM Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000114413069 543514012 /nfs/dbraw/zinc/51/40/12/543514012.db2.gz IMPUQTZTRUTJPB-STQMWFEESA-N -1 1 356.451 2.429 20 0 FEADMM C[C@@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1nnnn1C1CC1 ZINC000802616573 674188175 /nfs/dbraw/zinc/18/81/75/674188175.db2.gz JQHCTWJIUZCOBU-MRVPVSSYSA-N -1 1 358.789 2.406 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116094770 543598309 /nfs/dbraw/zinc/59/83/09/543598309.db2.gz DQWNEWJWLIWNBN-DOMZBBRYSA-N -1 1 372.375 2.132 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1Cl ZINC000116158493 543600913 /nfs/dbraw/zinc/60/09/13/543600913.db2.gz KDGOHWHMXCWWRD-UHFFFAOYSA-N -1 1 366.826 2.435 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)[n-]1 ZINC000116614558 543611769 /nfs/dbraw/zinc/61/17/69/543611769.db2.gz CGDDWJDOXUXROX-UHFFFAOYSA-N -1 1 374.806 2.468 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)n[n-]1 ZINC000116614558 543611771 /nfs/dbraw/zinc/61/17/71/543611771.db2.gz CGDDWJDOXUXROX-UHFFFAOYSA-N -1 1 374.806 2.468 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000117163592 543623673 /nfs/dbraw/zinc/62/36/73/543623673.db2.gz AJKUVQOUKQSVBX-OAHLLOKOSA-N -1 1 364.449 2.103 20 0 FEADMM CN(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000121224047 543690568 /nfs/dbraw/zinc/69/05/68/543690568.db2.gz UVGZOJNLYKEOOG-UHFFFAOYSA-N -1 1 366.443 2.070 20 0 FEADMM CC[C@H](O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000123073451 543740563 /nfs/dbraw/zinc/74/05/63/543740563.db2.gz POVRKDQWWUWALD-INIZCTEOSA-N -1 1 362.451 2.378 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-c2nc[nH]n2)c1)c1cc(F)c(F)cc1F ZINC000123092663 543741913 /nfs/dbraw/zinc/74/19/13/543741913.db2.gz SNVQCFQGDJJCJU-UHFFFAOYSA-N -1 1 368.340 2.368 20 0 FEADMM CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N(C)C ZINC000123801916 543783842 /nfs/dbraw/zinc/78/38/42/543783842.db2.gz DAUXOQAJEKIUHS-ZDUSSCGKSA-N -1 1 368.484 2.223 20 0 FEADMM CC[C@@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123302043 543754151 /nfs/dbraw/zinc/75/41/51/543754151.db2.gz PRCSNSRCSGBLDZ-MAUKXSAKSA-N -1 1 370.449 2.427 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccnc(OCc2ccccc2)c1)c1nn[n-]n1 ZINC000124338830 543814912 /nfs/dbraw/zinc/81/49/12/543814912.db2.gz VISYTSDXOLQRJR-CYBMUJFWSA-N -1 1 352.398 2.049 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(Cl)cc1Br)c1nn[n-]n1 ZINC000124689178 543837363 /nfs/dbraw/zinc/83/73/63/543837363.db2.gz AJNKOIPNGBFGNE-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000124812653 543844318 /nfs/dbraw/zinc/84/43/18/543844318.db2.gz MHULCBPQKQCMLA-ZETCQYMHSA-N -1 1 359.753 2.446 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2cc(Br)ccc2OC)n[n-]1 ZINC000125162244 543865094 /nfs/dbraw/zinc/86/50/94/543865094.db2.gz USGFEWHFHJBEOF-UHFFFAOYSA-N -1 1 360.233 2.112 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000129551119 544117698 /nfs/dbraw/zinc/11/76/98/544117698.db2.gz DODOWDYCZXCFFS-GFCCVEGCSA-N -1 1 351.399 2.432 20 0 FEADMM CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129456099 544113492 /nfs/dbraw/zinc/11/34/92/544113492.db2.gz LHRXXAHUMCTVIY-SNVBAGLBSA-N -1 1 367.251 2.364 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)o1 ZINC000130011217 544135434 /nfs/dbraw/zinc/13/54/34/544135434.db2.gz NDEKAEJYMAXVKJ-ZDUSSCGKSA-N -1 1 350.440 2.199 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1c(F)cccc1Cl)NCc1ccccc1 ZINC000131386244 544188427 /nfs/dbraw/zinc/18/84/27/544188427.db2.gz MEQCHUGNCXWPNN-UHFFFAOYSA-N -1 1 370.833 2.464 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)COC4)ccc21 ZINC000132868531 544246698 /nfs/dbraw/zinc/24/66/98/544246698.db2.gz BMHOHJGIABOPEQ-UHFFFAOYSA-N -1 1 358.419 2.427 20 0 FEADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000132965615 544250085 /nfs/dbraw/zinc/25/00/85/544250085.db2.gz WILCTKZTVXLANV-UHFFFAOYSA-N -1 1 357.840 2.471 20 0 FEADMM O=S(=O)([N-]Cc1ccccc1N1CCOCC1)c1cc(F)ccc1F ZINC000139292482 544401459 /nfs/dbraw/zinc/40/14/59/544401459.db2.gz VYHAUNOLPLNGJH-UHFFFAOYSA-N -1 1 368.405 2.280 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(OCc2ccccn2)cc1)c1nn[n-]n1 ZINC000136676935 544376910 /nfs/dbraw/zinc/37/69/10/544376910.db2.gz BTXFMXRLVQXETG-MRXNPFEDSA-N -1 1 352.398 2.445 20 0 FEADMM CCC[C@@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1nn[n-]n1 ZINC000136733175 544378175 /nfs/dbraw/zinc/37/81/75/544378175.db2.gz ADJFRNQATZAVQL-CQSZACIVSA-N -1 1 370.413 2.454 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@@]23CCCc2ccccc23)o1 ZINC000151302577 544526426 /nfs/dbraw/zinc/52/64/26/544526426.db2.gz PIBNKWNBNORTHB-KUHUBIRLSA-N -1 1 374.462 2.212 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(CCc1nccs1)C(C)C ZINC000151594391 544560585 /nfs/dbraw/zinc/56/05/85/544560585.db2.gz KDISSBINJWMBIL-UHFFFAOYSA-N -1 1 373.482 2.118 20 0 FEADMM Cc1nc2nc(S(=O)(=O)C[C@H]3CCCCO3)[n-]c2cc1Br ZINC000152019361 544606902 /nfs/dbraw/zinc/60/69/02/544606902.db2.gz YIRDOGHRWAGGEI-SECBINFHSA-N -1 1 374.260 2.372 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)C[C@H]3CCCCO3)nc-2cc1Br ZINC000152019361 544606908 /nfs/dbraw/zinc/60/69/08/544606908.db2.gz YIRDOGHRWAGGEI-SECBINFHSA-N -1 1 374.260 2.372 20 0 FEADMM O=C(c1ncccc1[O-])N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000153091155 544731958 /nfs/dbraw/zinc/73/19/58/544731958.db2.gz WUSYQFYTLZMFHW-AWEZNQCLSA-N -1 1 365.311 2.119 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)c1 ZINC000153192915 544745254 /nfs/dbraw/zinc/74/52/54/544745254.db2.gz WJRFTODGPGHRBG-CQSZACIVSA-N -1 1 352.412 2.445 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000153432778 544774702 /nfs/dbraw/zinc/77/47/02/544774702.db2.gz CRLPPVGQIUWBQD-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000153432778 544774708 /nfs/dbraw/zinc/77/47/08/544774708.db2.gz CRLPPVGQIUWBQD-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM O=C(Nc1ccc(Cl)cc1[O-])c1nc2ncc(Br)cn2n1 ZINC000153490446 544782507 /nfs/dbraw/zinc/78/25/07/544782507.db2.gz LTPMWRMBTYGBIF-UHFFFAOYSA-N -1 1 368.578 2.498 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n[n-]1 ZINC000153153395 544738960 /nfs/dbraw/zinc/73/89/60/544738960.db2.gz IXQOMGHNNCRCIO-NXEZZACHSA-N -1 1 370.862 2.060 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3CO)c2)c1 ZINC000153989935 544849459 /nfs/dbraw/zinc/84/94/59/544849459.db2.gz VCWMHFKDULFZMX-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000154512610 544915955 /nfs/dbraw/zinc/91/59/55/544915955.db2.gz VHUXBAUATJRDCN-UHFFFAOYSA-N -1 1 371.422 2.096 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000155154026 544995996 /nfs/dbraw/zinc/99/59/96/544995996.db2.gz QDLCNAANBSQFHQ-ZIAGYGMSSA-N -1 1 356.216 2.175 20 0 FEADMM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000154982859 544973622 /nfs/dbraw/zinc/97/36/22/544973622.db2.gz VOKYPWGRUXLQFU-OAHLLOKOSA-N -1 1 356.397 2.495 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)co1 ZINC000179321557 327636490 /nfs/dbraw/zinc/63/64/90/327636490.db2.gz DTQSUXIJKUKACN-INIZCTEOSA-N -1 1 362.451 2.425 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000181032528 327713376 /nfs/dbraw/zinc/71/33/76/327713376.db2.gz JKNGDHGTXSERKC-HNAYVOBHSA-N -1 1 372.446 2.272 20 0 FEADMM CC(C)c1nnc(CNC(=O)c2ccc(Br)cc2[O-])n1C ZINC000183476879 327820159 /nfs/dbraw/zinc/82/01/59/327820159.db2.gz XISMYURDSQCSFM-UHFFFAOYSA-N -1 1 353.220 2.337 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccc(C)o1 ZINC000185017126 327895259 /nfs/dbraw/zinc/89/52/59/327895259.db2.gz WNMNAMVAMLULMZ-NSHDSACASA-N -1 1 367.349 2.013 20 0 FEADMM CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccccc3[O-])c2)CC1 ZINC000187160198 328005614 /nfs/dbraw/zinc/00/56/14/328005614.db2.gz MJRCCYCTSSZFGR-UHFFFAOYSA-N -1 1 353.422 2.309 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000187284593 328013157 /nfs/dbraw/zinc/01/31/57/328013157.db2.gz LFOVQWKZPPYBMW-UHFFFAOYSA-N -1 1 362.433 2.256 20 0 FEADMM CC(=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccccc1OC(F)F ZINC000187285187 328013188 /nfs/dbraw/zinc/01/31/88/328013188.db2.gz WUQFSLHBSNRQRU-RJCSOLBVSA-N -1 1 351.357 2.467 20 0 FEADMM Cc1ccc(-c2nsc([N-]C(=O)c3cc4c(cn3)nc[nH]c4=O)n2)s1 ZINC000187472656 328028030 /nfs/dbraw/zinc/02/80/30/328028030.db2.gz YVNQMNPMBVUXAK-UHFFFAOYSA-N -1 1 370.419 2.459 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccccc1OC(F)F ZINC000188031688 328061547 /nfs/dbraw/zinc/06/15/47/328061547.db2.gz JAJCJPNNYMRMRC-UHFFFAOYSA-N -1 1 369.393 2.374 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188679392 328103508 /nfs/dbraw/zinc/10/35/08/328103508.db2.gz XUSONKGAJDKNKF-UHFFFAOYSA-N -1 1 357.683 2.310 20 0 FEADMM COc1cnccc1[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000189690671 328162215 /nfs/dbraw/zinc/16/22/15/328162215.db2.gz XZPPCOAEOVXQCH-GFCCVEGCSA-N -1 1 369.425 2.265 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190430067 328207338 /nfs/dbraw/zinc/20/73/38/328207338.db2.gz OAELIPAZPXMHNV-HNNXBMFYSA-N -1 1 366.421 2.081 20 0 FEADMM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190646954 328221683 /nfs/dbraw/zinc/22/16/83/328221683.db2.gz JJPXBCYIZXEWIS-IAGOWNOFSA-N -1 1 374.462 2.377 20 0 FEADMM O=S(=O)([N-]CC(F)(F)C(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000192133506 328301804 /nfs/dbraw/zinc/30/18/04/328301804.db2.gz PZJIBYBNZTVZHB-UHFFFAOYSA-N -1 1 363.716 2.290 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)o1 ZINC000193029482 328352941 /nfs/dbraw/zinc/35/29/41/328352941.db2.gz ROSLOGVACKVNNK-UHFFFAOYSA-N -1 1 360.391 2.483 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000193316869 328368258 /nfs/dbraw/zinc/36/82/58/328368258.db2.gz GLINYNVZYZNNPW-KBPBESRZSA-N -1 1 354.472 2.478 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000193318928 328368620 /nfs/dbraw/zinc/36/86/20/328368620.db2.gz NXEHKLMFIFMVKE-AWEZNQCLSA-N -1 1 362.451 2.393 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Br)ccc1-n1cccn1 ZINC000193326784 328369033 /nfs/dbraw/zinc/36/90/33/328369033.db2.gz CWROEUWZIWWKKJ-JTQLQIEISA-N -1 1 374.260 2.411 20 0 FEADMM O=S(=O)([N-]CCN1CCCCCC1)c1c(F)c(F)cc(F)c1F ZINC000193676360 328389275 /nfs/dbraw/zinc/38/92/75/328389275.db2.gz PQAYIQXZJDQBGZ-UHFFFAOYSA-N -1 1 354.369 2.397 20 0 FEADMM CCOC(=O)c1ccccc1NC(=O)CSc1nc(CC)cc(=O)[n-]1 ZINC000005154933 324348005 /nfs/dbraw/zinc/34/80/05/324348005.db2.gz BPXRTPOCXFUATL-UHFFFAOYSA-N -1 1 361.423 2.240 20 0 FEADMM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008493774 324362586 /nfs/dbraw/zinc/36/25/86/324362586.db2.gz JGPMOMPDIHMLQH-UHFFFAOYSA-N -1 1 354.378 2.499 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c(OC)c1 ZINC000013464885 324376483 /nfs/dbraw/zinc/37/64/83/324376483.db2.gz NZPUYGOIRLYVPV-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM CCC[C@@](C)(O)CNC(=O)c1cc(I)ccc1[O-] ZINC000224925967 328483152 /nfs/dbraw/zinc/48/31/52/328483152.db2.gz DJZDJROHZJTSTL-CYBMUJFWSA-N -1 1 363.195 2.278 20 0 FEADMM CC(C)C[C@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000230903886 328487536 /nfs/dbraw/zinc/48/75/36/328487536.db2.gz BTYVNLPMLBUCQU-SNVBAGLBSA-N -1 1 363.195 2.134 20 0 FEADMM Cc1cnc(CNC(=O)c2ccc(I)c([O-])c2)o1 ZINC000230900255 328487606 /nfs/dbraw/zinc/48/76/06/328487606.db2.gz YLFHXICNQDGNQW-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)o1 ZINC000055713550 324787129 /nfs/dbraw/zinc/78/71/29/324787129.db2.gz LZBSVMKDOLDTKG-GFCCVEGCSA-N -1 1 354.815 2.258 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)o1 ZINC000076652312 324957676 /nfs/dbraw/zinc/95/76/76/324957676.db2.gz YRVKOYPMASYHHH-CYBMUJFWSA-N -1 1 366.414 2.032 20 0 FEADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000078502191 325048684 /nfs/dbraw/zinc/04/86/84/325048684.db2.gz PSZIIRVXZKWIHG-ZWNOBZJWSA-N -1 1 359.455 2.045 20 0 FEADMM Cc1ccc(NC(=O)CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000078792711 325062617 /nfs/dbraw/zinc/06/26/17/325062617.db2.gz DZQVKMPPYYJXPC-UHFFFAOYSA-N -1 1 370.453 2.395 20 0 FEADMM O=C(Cc1ccccc1F)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080022030 325114536 /nfs/dbraw/zinc/11/45/36/325114536.db2.gz MZZHMXIFKXLUJX-UHFFFAOYSA-N -1 1 360.360 2.198 20 0 FEADMM CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](c2n[n-]c(=S)n2CC)C1 ZINC000087315807 325279465 /nfs/dbraw/zinc/27/94/65/325279465.db2.gz HISGLLDTMJLHTA-CYBMUJFWSA-N -1 1 367.519 2.315 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000093241977 325439933 /nfs/dbraw/zinc/43/99/33/325439933.db2.gz YIJQWXFIYUTYCP-LLVKDONJSA-N -1 1 360.349 2.217 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000104899171 325550213 /nfs/dbraw/zinc/55/02/13/325550213.db2.gz JHBHTGUCNPSAKY-UHFFFAOYSA-N -1 1 370.428 2.415 20 0 FEADMM CC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nc(C)cs1 ZINC000104939621 325551350 /nfs/dbraw/zinc/55/13/50/325551350.db2.gz PQWNGCYFZOMYPW-ZDUSSCGKSA-N -1 1 359.455 2.214 20 0 FEADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000110588335 325689902 /nfs/dbraw/zinc/68/99/02/325689902.db2.gz XBRDLYKFMWNSAA-UHFFFAOYSA-N -1 1 354.819 2.299 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC000114155478 325875202 /nfs/dbraw/zinc/87/52/02/325875202.db2.gz JGAZLERCOQRPEN-UHFFFAOYSA-N -1 1 361.405 2.360 20 0 FEADMM Cc1cccc(OCCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114411928 325890373 /nfs/dbraw/zinc/89/03/73/325890373.db2.gz HNXWPQPQRFXROL-UHFFFAOYSA-N -1 1 368.437 2.423 20 0 FEADMM CCO[C@@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000114412013 325890473 /nfs/dbraw/zinc/89/04/73/325890473.db2.gz GUPJZMOJMQYPFU-GOSISDBHSA-N -1 1 354.410 2.033 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000114411945 325890534 /nfs/dbraw/zinc/89/05/34/325890534.db2.gz DGGZUTKXKNMMGR-LBPRGKRZSA-N -1 1 374.828 2.377 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(NC(N)=O)c2)c1 ZINC000115899073 325985698 /nfs/dbraw/zinc/98/56/98/325985698.db2.gz XEVQHVDIGUIWEI-UHFFFAOYSA-N -1 1 362.411 2.109 20 0 FEADMM Cc1nc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)sc1C ZINC000117151650 326051951 /nfs/dbraw/zinc/05/19/51/326051951.db2.gz TWFRPCAGQBZELX-UHFFFAOYSA-N -1 1 355.423 2.395 20 0 FEADMM COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccco4)n[nH]3)CC2=O)cc1 ZINC000119280712 326144461 /nfs/dbraw/zinc/14/44/61/326144461.db2.gz XDECHSQNVQWHSY-NSHDSACASA-N -1 1 367.365 2.065 20 0 FEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119311046 326148372 /nfs/dbraw/zinc/14/83/72/326148372.db2.gz KADJOIFIMVMKQI-LJZMDLFKSA-N -1 1 372.450 2.245 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)co1 ZINC000119441899 326162708 /nfs/dbraw/zinc/16/27/08/326162708.db2.gz LITOSJQDQBSTJQ-UHFFFAOYSA-N -1 1 374.422 2.243 20 0 FEADMM CCCC[C@H](COC)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000119696546 326188870 /nfs/dbraw/zinc/18/88/70/326188870.db2.gz APLVKLMJZDWOII-MRXNPFEDSA-N -1 1 372.469 2.394 20 0 FEADMM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000120558984 326268684 /nfs/dbraw/zinc/26/86/84/326268684.db2.gz WHQAVNAVDKGGGJ-LLVKDONJSA-N -1 1 373.862 2.076 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)ccc21 ZINC000121106211 326313924 /nfs/dbraw/zinc/31/39/24/326313924.db2.gz AQEKMOJCLFMKLS-UHFFFAOYSA-N -1 1 368.418 2.396 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1sccc1Br ZINC000121729590 326362058 /nfs/dbraw/zinc/36/20/58/326362058.db2.gz ZCLIEVWPDFURCZ-DTWKUNHWSA-N -1 1 354.291 2.340 20 0 FEADMM CCCCCc1nnc([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)s1 ZINC000121882894 326373818 /nfs/dbraw/zinc/37/38/18/326373818.db2.gz NKHBHYLZPWSABA-UHFFFAOYSA-N -1 1 372.472 2.366 20 0 FEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000123800156 326442515 /nfs/dbraw/zinc/44/25/15/326442515.db2.gz XDXLGADASACMLY-BXKDBHETSA-N -1 1 361.826 2.003 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2OC(C)C)co1 ZINC000129063062 326534276 /nfs/dbraw/zinc/53/42/76/326534276.db2.gz QTFNDRMYAXFBBC-UHFFFAOYSA-N -1 1 356.375 2.366 20 0 FEADMM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000131810245 326582236 /nfs/dbraw/zinc/58/22/36/326582236.db2.gz RWUZECMPEVCBPS-UHFFFAOYSA-N -1 1 370.833 2.496 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(C)cc2C)co1 ZINC000132784415 326598002 /nfs/dbraw/zinc/59/80/02/326598002.db2.gz KLIIDBAXBJXXOM-CYBMUJFWSA-N -1 1 350.440 2.166 20 0 FEADMM CCOC(=O)Cn1cnc(-c2nc3sc(C(C)(C)C)cc3c(=O)[n-]2)n1 ZINC000133684627 326613015 /nfs/dbraw/zinc/61/30/15/326613015.db2.gz DZZIZEHBKXCBTQ-UHFFFAOYSA-N -1 1 361.427 2.104 20 0 FEADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)N1CCCCC1 ZINC000134437322 326625669 /nfs/dbraw/zinc/62/56/69/326625669.db2.gz BKZGHKHMBFBZQT-JTQLQIEISA-N -1 1 355.232 2.286 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000150798155 326668328 /nfs/dbraw/zinc/66/83/28/326668328.db2.gz PPTIARJKBCYJBH-HZPDHXFCSA-N -1 1 372.469 2.448 20 0 FEADMM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)c(F)cc1F ZINC000151018320 326673145 /nfs/dbraw/zinc/67/31/45/326673145.db2.gz WHYHXJMPTFRAJP-PFZYVWIYSA-N -1 1 368.199 2.326 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000152659560 326713358 /nfs/dbraw/zinc/71/33/58/326713358.db2.gz KOLGBRZYINHCSE-GFCCVEGCSA-N -1 1 368.437 2.437 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)co1 ZINC000153012391 326721687 /nfs/dbraw/zinc/72/16/87/326721687.db2.gz JCNSXVQYROBAID-BXKDBHETSA-N -1 1 372.805 2.266 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000153695672 326740211 /nfs/dbraw/zinc/74/02/11/326740211.db2.gz MFGAWUNNVBYFKR-VIFPVBQESA-N -1 1 352.740 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ZINC000171424790 327138691 /nfs/dbraw/zinc/13/86/91/327138691.db2.gz DXMOTHBHMQCLPZ-UHFFFAOYSA-N -1 1 370.215 2.432 20 0 FEADMM COc1ccc(Cl)cc1CN1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000171762969 327159821 /nfs/dbraw/zinc/15/98/21/327159821.db2.gz GWFUMIWZVMKTNO-UHFFFAOYSA-N -1 1 361.829 2.407 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000172542047 327207073 /nfs/dbraw/zinc/20/70/73/327207073.db2.gz WLIGBBFZGUOKHR-UHFFFAOYSA-N -1 1 365.430 2.095 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000174372390 327322949 /nfs/dbraw/zinc/32/29/49/327322949.db2.gz XOUYBFQSSHPEDB-PBHICJAKSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174372403 327323131 /nfs/dbraw/zinc/32/31/31/327323131.db2.gz XOUYBFQSSHPEDB-YOEHRIQHSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175467210 327394535 /nfs/dbraw/zinc/39/45/35/327394535.db2.gz VTTAZPJOCVTREV-HUUCEWRRSA-N 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FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H](CCO)CC(C)C ZINC000268483254 329424908 /nfs/dbraw/zinc/42/49/08/329424908.db2.gz JOKWKJMBLFYZBR-OAHLLOKOSA-N -1 1 372.469 2.256 20 0 FEADMM O=C([N-]C[C@@H](O)COc1ccccc1Br)C(F)(F)C(F)F ZINC000268903016 329466408 /nfs/dbraw/zinc/46/64/08/329466408.db2.gz PFGLWEDWHUZODF-SSDOTTSWSA-N -1 1 374.128 2.205 20 0 FEADMM Cc1cc(C)cc(C2(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])CC2)c1 ZINC000271946013 329739497 /nfs/dbraw/zinc/73/94/97/329739497.db2.gz AAKCDPDCNLYKKD-UHFFFAOYSA-N -1 1 360.435 2.327 20 0 FEADMM CCC[C@@H](NCC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000273163908 329842139 /nfs/dbraw/zinc/84/21/39/329842139.db2.gz AVVDPCNDEDVZHJ-GXTWGEPZSA-N -1 1 352.431 2.114 20 0 FEADMM CC(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000274173258 329922656 /nfs/dbraw/zinc/92/26/56/329922656.db2.gz HDRZZIKBZBKFMW-CYBMUJFWSA-N -1 1 370.471 2.034 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000274234774 329928937 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NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N-]C(=O)C(F)(F)c1nccs1 ZINC000804891271 674305536 /nfs/dbraw/zinc/30/55/36/674305536.db2.gz JDQYEGGORRYEFH-SNVBAGLBSA-N -1 1 359.785 2.101 20 0 FEADMM CO[C@H](C)c1nc(=N[C@@H](CN2CCN(C)CC2)c2ccccc2)s[n-]1 ZINC000554686573 674330239 /nfs/dbraw/zinc/33/02/39/674330239.db2.gz KZIXZOCUPFBJHD-ZBFHGGJFSA-N -1 1 361.515 2.068 20 0 FEADMM CC(=O)N(c1nc(COC(=O)c2cn[n-]n2)cs1)c1ccc(F)cc1 ZINC000805606122 674347150 /nfs/dbraw/zinc/34/71/50/674347150.db2.gz FZYFDFSMSGPYSO-UHFFFAOYSA-N -1 1 361.358 2.442 20 0 FEADMM Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cn[n-]n2)cs1 ZINC000805606581 674347276 /nfs/dbraw/zinc/34/72/76/674347276.db2.gz YNCDCPUVLQOHQW-UHFFFAOYSA-N -1 1 357.395 2.108 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c(C(F)(F)F)n1 ZINC000555334281 674357169 /nfs/dbraw/zinc/35/71/69/674357169.db2.gz NHTKSBBFZIHWMX-GHMZBOCLSA-N -1 1 369.409 2.049 20 0 FEADMM C[C@@H](SCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1nc2ccccc2[nH]1 ZINC000155533334 545539053 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O=S(=O)([N-][C@@H]1CCN(c2ccccn2)C1)c1cc(F)c(F)cc1F ZINC000159314994 545942147 /nfs/dbraw/zinc/94/21/47/545942147.db2.gz HXWJOIJOYPXOGS-SNVBAGLBSA-N -1 1 357.357 2.056 20 0 FEADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccn(C)n1 ZINC000478630089 561171466 /nfs/dbraw/zinc/17/14/66/561171466.db2.gz HDFDUKKNQWLILV-UHFFFAOYSA-N -1 1 370.434 2.498 20 0 FEADMM CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCc1nc(=O)[n-][nH]1 ZINC000478545589 561169206 /nfs/dbraw/zinc/16/92/06/561169206.db2.gz XGDRJNKZJHOUCF-UHFFFAOYSA-N -1 1 367.369 2.026 20 0 FEADMM Cc1noc(C)c1COc1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000478582589 561170228 /nfs/dbraw/zinc/17/02/28/561170228.db2.gz HHBMMVDSTNEKKI-LLVKDONJSA-N -1 1 370.413 2.259 20 0 FEADMM CCCOc1ccc(C(=O)CCC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000478591191 561170542 /nfs/dbraw/zinc/17/05/42/561170542.db2.gz LZGDJKWHIHKDEF-ZDUSSCGKSA-N -1 1 359.430 2.214 20 0 FEADMM CCCc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000478598021 561170657 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FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc3ccc(C)cc3[nH]2)o1 ZINC000479202410 561184401 /nfs/dbraw/zinc/18/44/01/561184401.db2.gz CEZHXJAMHXSPAM-UHFFFAOYSA-N -1 1 363.395 2.120 20 0 FEADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479262307 561186056 /nfs/dbraw/zinc/18/60/56/561186056.db2.gz YOGWVAWYKGWZGV-UHFFFAOYSA-N -1 1 372.406 2.414 20 0 FEADMM CCCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000479540387 561191614 /nfs/dbraw/zinc/19/16/14/561191614.db2.gz FUYIQPIRIVKJJT-UHFFFAOYSA-N -1 1 353.400 2.098 20 0 FEADMM O=S(=O)(Cc1ncc(Cl)s1)c1nc(Cc2ccccc2)n[n-]1 ZINC000479661305 561194243 /nfs/dbraw/zinc/19/42/43/561194243.db2.gz MQMDRQKCWVMZHP-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM O=S(=O)(Cc1ncc(Cl)s1)c1nnc(Cc2ccccc2)[n-]1 ZINC000479661305 561194244 /nfs/dbraw/zinc/19/42/44/561194244.db2.gz MQMDRQKCWVMZHP-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM O=S(=O)(Cc1ncc(Cl)s1)c1n[n-]c(Cc2ccccc2)n1 ZINC000479661305 561194245 /nfs/dbraw/zinc/19/42/45/561194245.db2.gz MQMDRQKCWVMZHP-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000175839196 546359610 /nfs/dbraw/zinc/35/96/10/546359610.db2.gz VSCTYIDQSKEVMF-YGRLFVJLSA-N -1 1 352.412 2.120 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000175862553 546364311 /nfs/dbraw/zinc/36/43/11/546364311.db2.gz RGOYFSXOUHEDTR-KBPBESRZSA-N -1 1 352.456 2.407 20 0 FEADMM CCC[C@@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1nn[n-]n1 ZINC000176775978 546485835 /nfs/dbraw/zinc/48/58/35/546485835.db2.gz AUQIUIKFFFSSEK-CQSZACIVSA-N -1 1 368.445 2.483 20 0 FEADMM CN(Cc1csc2ccccc12)C(=O)CNC(=O)c1ncccc1[O-] ZINC000480594716 561212762 /nfs/dbraw/zinc/21/27/62/561212762.db2.gz MMAHHECZCBLARB-UHFFFAOYSA-N -1 1 355.419 2.390 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)o1 ZINC000480864462 561218578 /nfs/dbraw/zinc/21/85/78/561218578.db2.gz NCJLEQACWRPCOU-LBPRGKRZSA-N -1 1 357.428 2.226 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](OC)C2(CC)CC)o1 ZINC000480874737 561219009 /nfs/dbraw/zinc/21/90/09/561219009.db2.gz YQJXYIRGSORFMY-STQMWFEESA-N -1 1 359.444 2.328 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)O)cc1 ZINC000178077683 546735858 /nfs/dbraw/zinc/73/58/58/546735858.db2.gz SCNVWLKDTSDSCG-CQSZACIVSA-N -1 1 362.451 2.249 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)nc1Cl ZINC000178633249 546823888 /nfs/dbraw/zinc/82/38/88/546823888.db2.gz DQKNLFATKXANNP-MFKMUULPSA-N -1 1 359.234 2.325 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(Cl)cnc2N)o1 ZINC000178952840 546879659 /nfs/dbraw/zinc/87/96/59/546879659.db2.gz CAEGBNYGMFGURG-LLVKDONJSA-N -1 1 359.835 2.139 20 0 FEADMM COC[C@@H](NC(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000179010858 546886272 /nfs/dbraw/zinc/88/62/72/546886272.db2.gz HTMVEWNAULUQGE-LLVKDONJSA-N -1 1 361.179 2.152 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)co1 ZINC000179408020 546947234 /nfs/dbraw/zinc/94/72/34/546947234.db2.gz MRUVMPQCZKPKQS-UHFFFAOYSA-N -1 1 362.411 2.371 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000482116158 561248690 /nfs/dbraw/zinc/24/86/90/561248690.db2.gz XHWZNLDGASMIMD-INIZCTEOSA-N -1 1 369.396 2.408 20 0 FEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000179765960 547010906 /nfs/dbraw/zinc/01/09/06/547010906.db2.gz ZDKOUVZHICQMRE-UHFFFAOYSA-N -1 1 362.379 2.137 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncn(C)c3=O)cc2)cc1 ZINC000179878753 547024055 /nfs/dbraw/zinc/02/40/55/547024055.db2.gz DXCVBXKRYSZREK-UHFFFAOYSA-N -1 1 372.450 2.324 20 0 FEADMM O=C(CCNC(=O)c1ccc(C(F)(F)F)cc1[O-])NCc1cccnc1 ZINC000180431333 547107008 /nfs/dbraw/zinc/10/70/08/547107008.db2.gz KXXILKNRHWJUQJ-UHFFFAOYSA-N -1 1 367.327 2.242 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-n3cnnn3)c2)cc1 ZINC000181087938 547246824 /nfs/dbraw/zinc/24/68/24/547246824.db2.gz BTBVCZBDCMJSGN-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM CN(Cc1cc[nH]n1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000484043540 561290313 /nfs/dbraw/zinc/29/03/13/561290313.db2.gz OBKCLNATGCZOJY-UHFFFAOYSA-N -1 1 370.434 2.483 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nn[n-]n1 ZINC000183403203 547651647 /nfs/dbraw/zinc/65/16/47/547651647.db2.gz WUARLBUXJJVSJE-SNVBAGLBSA-N -1 1 360.418 2.267 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nn[n-]n1 ZINC000183402808 547651688 /nfs/dbraw/zinc/65/16/88/547651688.db2.gz AHDNEJKLKLWZBM-NSHDSACASA-N -1 1 370.438 2.389 20 0 FEADMM COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)ccc21 ZINC000183421166 547655614 /nfs/dbraw/zinc/65/56/14/547655614.db2.gz YTQPMYQVRNAFHG-LBPRGKRZSA-N -1 1 370.457 2.293 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(Br)cc1Cl)c1nn[n-]n1 ZINC000183451113 547661612 /nfs/dbraw/zinc/66/16/12/547661612.db2.gz LVLQECUYKAOSPV-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000184915575 547899294 /nfs/dbraw/zinc/89/92/94/547899294.db2.gz DDIKDPGDLPJYTA-STQMWFEESA-N -1 1 354.472 2.092 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1 ZINC000185651142 548014851 /nfs/dbraw/zinc/01/48/51/548014851.db2.gz MYCUJPJAZACJSI-QHCPKHFHSA-N -1 1 366.464 2.324 20 0 FEADMM O=C(NCc1ncc(-c2ccccc2)cn1)c1nc2ccccc2c(=O)[n-]1 ZINC000185911580 548057501 /nfs/dbraw/zinc/05/75/01/548057501.db2.gz JYGQZPWQCLUDRU-UHFFFAOYSA-N -1 1 357.373 2.310 20 0 FEADMM CCOc1cc(NC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)ncn1 ZINC000186211062 548101005 /nfs/dbraw/zinc/10/10/05/548101005.db2.gz MARXHADHGSUZMX-UHFFFAOYSA-N -1 1 360.389 2.437 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2nc(C)cs2)o1 ZINC000186477859 548141727 /nfs/dbraw/zinc/14/17/27/548141727.db2.gz VYXSQIAXDVEMCI-SECBINFHSA-N -1 1 358.441 2.303 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)c3c[nH]c(=O)c4ccccc34)[nH]c21 ZINC000188480086 548280260 /nfs/dbraw/zinc/28/02/60/548280260.db2.gz MMCQSZSXXHXKLG-UHFFFAOYSA-N -1 1 362.345 2.443 20 0 FEADMM O=C(c1cccc2nn[nH]c21)N1CCN(c2cncc3ccccc32)CC1 ZINC000191971793 548353942 /nfs/dbraw/zinc/35/39/42/548353942.db2.gz JCYCJTKVDUBLFH-UHFFFAOYSA-N -1 1 358.405 2.469 20 0 FEADMM CC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)s1 ZINC000486769488 561356136 /nfs/dbraw/zinc/35/61/36/561356136.db2.gz KROCGVWVBFWTFT-SECBINFHSA-N -1 1 353.831 2.499 20 0 FEADMM CC(C)[C@@H](C)NC(=O)CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195113085 548578065 /nfs/dbraw/zinc/57/80/65/548578065.db2.gz LSDBNYOITNGFPO-SNVBAGLBSA-N -1 1 370.862 2.060 20 0 FEADMM CC(C)[C@@H](C)NC(=O)CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113085 548578068 /nfs/dbraw/zinc/57/80/68/548578068.db2.gz LSDBNYOITNGFPO-SNVBAGLBSA-N -1 1 370.862 2.060 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCO1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195118319 548579313 /nfs/dbraw/zinc/57/93/13/548579313.db2.gz ZDOFYEFCZFJLQZ-ZDUSSCGKSA-N -1 1 371.846 2.380 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCO1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195118319 548579316 /nfs/dbraw/zinc/57/93/16/548579316.db2.gz ZDOFYEFCZFJLQZ-ZDUSSCGKSA-N -1 1 371.846 2.380 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccc(C)nc3C)n2)cc1 ZINC000195121410 548580500 /nfs/dbraw/zinc/58/05/00/548580500.db2.gz BFHCSCWFEDSIGR-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3ccc(C)nc3C)n[n-]2)cc1 ZINC000195121410 548580505 /nfs/dbraw/zinc/58/05/05/548580505.db2.gz BFHCSCWFEDSIGR-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(CCOc2ccccc2Cl)CC1 ZINC000195146565 548584721 /nfs/dbraw/zinc/58/47/21/548584721.db2.gz IOCSHCHOOKAWQS-UHFFFAOYSA-N -1 1 361.829 2.277 20 0 FEADMM CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cc1 ZINC000195176346 548591234 /nfs/dbraw/zinc/59/12/34/548591234.db2.gz MTZPCXHVTBRBHV-LLVKDONJSA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1 ZINC000195176346 548591241 /nfs/dbraw/zinc/59/12/41/548591241.db2.gz MTZPCXHVTBRBHV-LLVKDONJSA-N -1 1 364.471 2.466 20 0 FEADMM CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1 ZINC000195176346 548591244 /nfs/dbraw/zinc/59/12/44/548591244.db2.gz MTZPCXHVTBRBHV-LLVKDONJSA-N -1 1 364.471 2.466 20 0 FEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc21 ZINC000195328411 548624379 /nfs/dbraw/zinc/62/43/79/548624379.db2.gz ZUYVSPORMZISTA-UHFFFAOYSA-N -1 1 356.407 2.352 20 0 FEADMM COCCN(C(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000224717282 548729572 /nfs/dbraw/zinc/72/95/72/548729572.db2.gz YJQNDZCCKIADSE-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000488233301 561386590 /nfs/dbraw/zinc/38/65/90/561386590.db2.gz PHPMWSURVRNORW-SFHVURJKSA-N -1 1 373.434 2.104 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000248882340 549521245 /nfs/dbraw/zinc/52/12/45/549521245.db2.gz PANBLENVILGXFL-OCCSQVGLSA-N -1 1 368.499 2.400 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000490198778 561428557 /nfs/dbraw/zinc/42/85/57/561428557.db2.gz DOMXNEKHANVJAK-JKSUJKDBSA-N -1 1 353.422 2.360 20 0 FEADMM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000490399714 561432369 /nfs/dbraw/zinc/43/23/69/561432369.db2.gz PRTDMGCCGMTXSN-AWEZNQCLSA-N -1 1 371.437 2.319 20 0 FEADMM O=C([O-])C1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000262669119 549836995 /nfs/dbraw/zinc/83/69/95/549836995.db2.gz QWKRQEZSTALWLY-CQSZACIVSA-N -1 1 372.343 2.487 20 0 FEADMM COc1ccccc1[C@H](CC(C)C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000491233083 561444172 /nfs/dbraw/zinc/44/41/72/561444172.db2.gz XNXHNFUSZUVZPX-HNNXBMFYSA-N -1 1 371.437 2.429 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OCC)n[nH]1 ZINC000268463689 550071051 /nfs/dbraw/zinc/07/10/51/550071051.db2.gz VRFAGQSGXLQYED-VIFPVBQESA-N -1 1 355.420 2.014 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCC(=O)OCc1ccccc1 ZINC000268863850 550124973 /nfs/dbraw/zinc/12/49/73/550124973.db2.gz FBEVMGBDJPZYGF-UHFFFAOYSA-N -1 1 361.423 2.076 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000269564041 550206789 /nfs/dbraw/zinc/20/67/89/550206789.db2.gz OCBKUJGFEJLCLY-ZANVPECISA-N -1 1 351.403 2.204 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)[C@@H](C)c1ccccc1 ZINC000269777205 550224776 /nfs/dbraw/zinc/22/47/76/550224776.db2.gz HKYKGXKRJUNFMY-VXGBXAGGSA-N -1 1 351.428 2.057 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC(C)C)co1 ZINC000270082405 550247814 /nfs/dbraw/zinc/24/78/14/550247814.db2.gz VOYHDBBWUNGDFB-UHFFFAOYSA-N -1 1 368.411 2.236 20 0 FEADMM CCc1onc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000270401830 550269144 /nfs/dbraw/zinc/26/91/44/550269144.db2.gz GWSRXIPSNXVNNV-UHFFFAOYSA-N -1 1 355.391 2.187 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000271248220 550357420 /nfs/dbraw/zinc/35/74/20/550357420.db2.gz DGKXOJNEONPMCB-UHFFFAOYSA-N -1 1 356.358 2.047 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000271362914 550368991 /nfs/dbraw/zinc/36/89/91/550368991.db2.gz OZJLGNOMXNKYLL-HIFRSBDPSA-N -1 1 370.453 2.417 20 0 FEADMM CC1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)COC1 ZINC000272828803 550472472 /nfs/dbraw/zinc/47/24/72/550472472.db2.gz MJJPTZFULSWOBU-UHFFFAOYSA-N -1 1 360.435 2.140 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@@]12CCCO2 ZINC000273567501 550503532 /nfs/dbraw/zinc/50/35/32/550503532.db2.gz FZDGJZLUOIJYQP-ZOWXZIJZSA-N -1 1 365.373 2.109 20 0 FEADMM CCOc1cc(C(=O)Nc2ccn(CC(=O)OC)n2)cc(Cl)c1[O-] ZINC000273939603 550516368 /nfs/dbraw/zinc/51/63/68/550516368.db2.gz JQPYMVKIFQTFQA-UHFFFAOYSA-N -1 1 353.762 2.066 20 0 FEADMM COC(=O)c1c[n-]c(SCCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000274918397 550564825 /nfs/dbraw/zinc/56/48/25/550564825.db2.gz MGSRWHKBBCSYPC-UHFFFAOYSA-N -1 1 359.407 2.365 20 0 FEADMM Cc1ccc(SCC(F)(F)F)c(NC(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000276954481 550615081 /nfs/dbraw/zinc/61/50/81/550615081.db2.gz YIIMTUQHKZNPGE-UHFFFAOYSA-N -1 1 362.333 2.238 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000494984451 561480418 /nfs/dbraw/zinc/48/04/18/561480418.db2.gz FMQBOQZAMJDAAX-UHFFFAOYSA-N -1 1 359.813 2.347 20 0 FEADMM O=S(=O)(CCCc1nc(-c2ccc([O-])cc2Cl)no1)N1CCCC1 ZINC000278193353 550759221 /nfs/dbraw/zinc/75/92/21/550759221.db2.gz PGBQVDOTISIKFF-UHFFFAOYSA-N -1 1 371.846 2.454 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCCOc2cccc(Cl)c2)n1 ZINC000278639645 550807223 /nfs/dbraw/zinc/80/72/23/550807223.db2.gz LIBNZAODGCFVLH-UHFFFAOYSA-N -1 1 369.830 2.137 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)[n-]1 ZINC000278648729 550808028 /nfs/dbraw/zinc/80/80/28/550808028.db2.gz MFVAKXRXUISNJL-VIFPVBQESA-N -1 1 365.411 2.333 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)n1 ZINC000278648729 550808030 /nfs/dbraw/zinc/80/80/30/550808030.db2.gz MFVAKXRXUISNJL-VIFPVBQESA-N -1 1 365.411 2.333 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCc2ncnn2C(C)C)c(=O)[n-]1 ZINC000279429323 550889287 /nfs/dbraw/zinc/88/92/87/550889287.db2.gz PZLJEQIURKFWAO-UHFFFAOYSA-N -1 1 351.432 2.061 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N(Cc3ccco3)C[C@H]3CCCO3)ccnc1-2 ZINC000279518343 550898844 /nfs/dbraw/zinc/89/88/44/550898844.db2.gz ZUSIVJAHTMQJOK-VDVBZYJVSA-N -1 1 355.398 2.148 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)CCSc3ccc4c(c3)OCCO4)ccnc1-2 ZINC000279806757 550931097 /nfs/dbraw/zinc/93/10/97/550931097.db2.gz PTHIWTBLQLFJAX-STZFKDTASA-N -1 1 370.434 2.234 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000280177342 550968135 /nfs/dbraw/zinc/96/81/35/550968135.db2.gz CIKRYMOUYZGTIU-JSGCOSHPSA-N -1 1 366.414 2.393 20 0 FEADMM CCC[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H](O)c1ccccc1 ZINC000280473392 550997715 /nfs/dbraw/zinc/99/77/15/550997715.db2.gz NCXUWGALTOSHKM-CHWSQXEVSA-N -1 1 357.863 2.254 20 0 FEADMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280578603 551009634 /nfs/dbraw/zinc/00/96/34/551009634.db2.gz MLCVFNPIXNXHGI-QMMMGPOBSA-N -1 1 369.245 2.422 20 0 FEADMM 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C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1ccc(O)cc1 ZINC000294016167 552875546 /nfs/dbraw/zinc/87/55/46/552875546.db2.gz YPYANZQTLHHGRN-XKVOAVTDSA-N -1 1 356.344 2.463 20 0 FEADMM O=C(CSc1nccc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000294235373 552889993 /nfs/dbraw/zinc/88/99/93/552889993.db2.gz MNWDQQQZBUDQEC-ZDUSSCGKSA-N -1 1 369.450 2.145 20 0 FEADMM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cncc(F)c2)cc1OC ZINC000501788774 561605527 /nfs/dbraw/zinc/60/55/27/561605527.db2.gz AUSNMMVYCPAGGE-UHFFFAOYSA-N -1 1 374.777 2.470 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c(=O)[n-]1 ZINC000294856318 552939101 /nfs/dbraw/zinc/93/91/01/552939101.db2.gz NTIYKJACXCYMFT-MAUKXSAKSA-N -1 1 363.483 2.315 20 0 FEADMM CCN(C)S(=O)(=O)[N-]c1ccn(-c2ccc(Br)cc2)n1 ZINC000295167630 552965521 /nfs/dbraw/zinc/96/55/21/552965521.db2.gz FUHYKONAKUOLGU-UHFFFAOYSA-N -1 1 359.249 2.243 20 0 FEADMM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1C ZINC000295222394 552971477 /nfs/dbraw/zinc/97/14/77/552971477.db2.gz BGYWOAAPQAMMFM-BDAKNGLRSA-N -1 1 351.255 2.139 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(F)cc3C2)co1 ZINC000295383634 552997178 /nfs/dbraw/zinc/99/71/78/552997178.db2.gz JECTWJFDHJMWRY-UHFFFAOYSA-N -1 1 372.805 2.179 20 0 FEADMM C[C@H]1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CCN(C2CC2)C1 ZINC000295468524 553011838 /nfs/dbraw/zinc/01/18/38/553011838.db2.gz YCLABPWEUMNNFR-CYBMUJFWSA-N -1 1 358.417 2.273 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000502259919 561615330 /nfs/dbraw/zinc/61/53/30/561615330.db2.gz QBOXJKHIZHLMMO-NSHDSACASA-N -1 1 365.393 2.073 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)cn1C ZINC000295950691 553080068 /nfs/dbraw/zinc/08/00/68/553080068.db2.gz LVIGGQOAEZDRRB-UHFFFAOYSA-N -1 1 357.819 2.359 20 0 FEADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C(C)(C)C(N)=O ZINC000296213405 553123803 /nfs/dbraw/zinc/12/38/03/553123803.db2.gz UYPFYBFTWAAURT-UHFFFAOYSA-N -1 1 366.215 2.039 20 0 FEADMM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C2 ZINC000503222518 561637053 /nfs/dbraw/zinc/63/70/53/561637053.db2.gz WQISRCINXKMPGN-SNVBAGLBSA-N -1 1 373.352 2.395 20 0 FEADMM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C2 ZINC000503222516 561637100 /nfs/dbraw/zinc/63/71/00/561637100.db2.gz WQISRCINXKMPGN-JTQLQIEISA-N -1 1 373.352 2.395 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000298359996 553416451 /nfs/dbraw/zinc/41/64/51/553416451.db2.gz WXYJSMJCQOMKHC-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000298663016 553456095 /nfs/dbraw/zinc/45/60/95/553456095.db2.gz RQTLMCDNBCTVEO-NSHDSACASA-N -1 1 364.427 2.344 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299130061 553519560 /nfs/dbraw/zinc/51/95/60/553519560.db2.gz XLHDBTVVFQYOET-INTQDDNPSA-N -1 1 366.343 2.025 20 0 FEADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000504279477 561655468 /nfs/dbraw/zinc/65/54/68/561655468.db2.gz LJXUWEHTHJSACO-UHFFFAOYSA-N -1 1 371.378 2.223 20 0 FEADMM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000504439588 561658218 /nfs/dbraw/zinc/65/82/18/561658218.db2.gz YLQOSOYVGMGZQU-ZDUSSCGKSA-N -1 1 366.425 2.115 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CCC[C@@H](O)C2)nc1 ZINC000301203879 553630538 /nfs/dbraw/zinc/63/05/38/553630538.db2.gz OTACBLUCFYULHU-GFCCVEGCSA-N -1 1 369.393 2.122 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000324619109 553772884 /nfs/dbraw/zinc/77/28/84/553772884.db2.gz ZTAPMVUKDDFCMM-UHFFFAOYSA-N -1 1 364.408 2.136 20 0 FEADMM CC(=O)N1CCc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000324819892 553773970 /nfs/dbraw/zinc/77/39/70/553773970.db2.gz NCZVRWYEMFJSMM-UHFFFAOYSA-N -1 1 366.420 2.156 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1F ZINC000324998515 553774450 /nfs/dbraw/zinc/77/44/50/553774450.db2.gz YSRJAYGZBLVSMA-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000326308105 553779980 /nfs/dbraw/zinc/77/99/80/553779980.db2.gz TZPJWDCTTIBVIJ-SNVBAGLBSA-N -1 1 370.452 2.368 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C(=O)[O-])c1 ZINC000327223823 553787025 /nfs/dbraw/zinc/78/70/25/553787025.db2.gz RZURCDSYPNWANT-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000327669002 553790411 /nfs/dbraw/zinc/79/04/11/553790411.db2.gz JQPAINKKQAIYIK-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3c2ccn(C)c3=O)c1 ZINC000505724619 561678554 /nfs/dbraw/zinc/67/85/54/561678554.db2.gz DNLHHEVIUIXTKH-UHFFFAOYSA-N -1 1 351.362 2.455 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1 ZINC000506860492 561710127 /nfs/dbraw/zinc/71/01/27/561710127.db2.gz IOAVKVYUXSPOBX-UHFFFAOYSA-N -1 1 373.434 2.480 20 0 FEADMM Cn1[n-]c(CN2CC(C)(C)N(C)c3ccc(Br)cc32)nc1=O ZINC000329936608 554034817 /nfs/dbraw/zinc/03/48/17/554034817.db2.gz LCRFEEHACNLKBQ-UHFFFAOYSA-N -1 1 366.263 2.106 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](c1nccs1)C(F)(F)F)c2=O ZINC000507558222 561733208 /nfs/dbraw/zinc/73/32/08/561733208.db2.gz NYJFQPDTFHRRHS-VIFPVBQESA-N -1 1 357.317 2.164 20 0 FEADMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000507569151 561733606 /nfs/dbraw/zinc/73/36/06/561733606.db2.gz RBYWAUFCAWDWQX-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)cc(S(C)(=O)=O)c1 ZINC000507603058 561734834 /nfs/dbraw/zinc/73/48/34/561734834.db2.gz QZFQZGILGVSZOT-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)NC)c2)c1 ZINC000507603229 561734948 /nfs/dbraw/zinc/73/49/48/561734948.db2.gz RZIRDRXTHXBPKB-UHFFFAOYSA-N -1 1 372.443 2.097 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2F)cn1 ZINC000508074483 561750389 /nfs/dbraw/zinc/75/03/89/561750389.db2.gz QJOWICJQGKNLSZ-UHFFFAOYSA-N -1 1 354.359 2.207 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3sccc3F)CC2)n1 ZINC000508159862 561753690 /nfs/dbraw/zinc/75/36/90/561753690.db2.gz HCOJADGQHFBMOW-UHFFFAOYSA-N -1 1 352.391 2.202 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2[nH]nc(CC)c2C)c1 ZINC000508197256 561754763 /nfs/dbraw/zinc/75/47/63/561754763.db2.gz ZRNQADFBPRWWDX-UHFFFAOYSA-N -1 1 351.428 2.187 20 0 FEADMM NC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000330799327 554172824 /nfs/dbraw/zinc/17/28/24/554172824.db2.gz BUHDZVLPWAIRQP-UHFFFAOYSA-N -1 1 351.222 2.414 20 0 FEADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000508385250 561760901 /nfs/dbraw/zinc/76/09/01/561760901.db2.gz RNHLQUWIWOHONJ-HUUCEWRRSA-N -1 1 353.422 2.230 20 0 FEADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000508385248 561760978 /nfs/dbraw/zinc/76/09/78/561760978.db2.gz RNHLQUWIWOHONJ-CABCVRRESA-N -1 1 353.422 2.230 20 0 FEADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CNC(=O)c2ncccc2[O-])o1 ZINC000508394419 561761226 /nfs/dbraw/zinc/76/12/26/561761226.db2.gz LYBVMEJVQICQEL-JSGCOSHPSA-N -1 1 357.410 2.418 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC000508859023 561775853 /nfs/dbraw/zinc/77/58/53/561775853.db2.gz JKQPDMVSUCHFPJ-MRVPVSSYSA-N -1 1 368.238 2.095 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCO2)o1 ZINC000331437731 554264569 /nfs/dbraw/zinc/26/45/69/554264569.db2.gz VIDXSOGULWJKJI-QWHCGFSZSA-N -1 1 370.471 2.140 20 0 FEADMM COCc1ccccc1/C=C(\C)CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000509039583 561782399 /nfs/dbraw/zinc/78/23/99/561782399.db2.gz QCGFOPOWBYXUJM-SDNWHVSQSA-N -1 1 359.499 2.492 20 0 FEADMM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000331542665 554282622 /nfs/dbraw/zinc/28/26/22/554282622.db2.gz QPUIFRZOCULSFI-JOYOIKCWSA-N -1 1 364.389 2.172 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806832 554323324 /nfs/dbraw/zinc/32/33/24/554323324.db2.gz TVARHSNLCTZMTE-ZLKJLUDKSA-N -1 1 372.487 2.146 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)[C@H](O)C3)cc2)cc1 ZINC000509310069 561794532 /nfs/dbraw/zinc/79/45/32/561794532.db2.gz JVGJORHVWZALKM-KBXCAEBGSA-N -1 1 374.462 2.249 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc(Cl)c1[O-] ZINC000331972188 554355152 /nfs/dbraw/zinc/35/51/52/554355152.db2.gz WSOGPDMOEMGVAE-MRVWCRGKSA-N -1 1 355.818 2.056 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)c2=O ZINC000332004834 554361645 /nfs/dbraw/zinc/36/16/45/554361645.db2.gz JAIIUEKHOJRYEA-OLZOCXBDSA-N -1 1 356.426 2.163 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)C(=O)N3CCCC[C@H]3C)cnc2n1 ZINC000332004834 554361647 /nfs/dbraw/zinc/36/16/47/554361647.db2.gz JAIIUEKHOJRYEA-OLZOCXBDSA-N -1 1 356.426 2.163 20 0 FEADMM Cc1c([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2c(F)cccc2Cl)cnn1C ZINC000332035322 554367579 /nfs/dbraw/zinc/36/75/79/554367579.db2.gz SODZIQIFPBBVKD-UONOGXRCSA-N -1 1 373.837 2.330 20 0 FEADMM CO[C@H](C)c1nc(=NCC2(CN3CCOCC3)CCCCC2)s[n-]1 ZINC000509537378 561804313 /nfs/dbraw/zinc/80/43/13/561804313.db2.gz BTKQPAMTPBPEPU-CQSZACIVSA-N -1 1 354.520 2.362 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332145853 554390067 /nfs/dbraw/zinc/39/00/67/554390067.db2.gz LYJFINKIJSYYBE-VHSXEESVSA-N -1 1 353.325 2.227 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(OC(F)(F)F)c1 ZINC000509930076 561818805 /nfs/dbraw/zinc/81/88/05/561818805.db2.gz XVKADCWRWCMHSZ-UHFFFAOYSA-N -1 1 355.272 2.054 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](C)OC ZINC000509951959 561819842 /nfs/dbraw/zinc/81/98/42/561819842.db2.gz BDCDVBNOWNSWOS-SSDOTTSWSA-N -1 1 356.227 2.093 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c([O-])c1 ZINC000332533075 554465154 /nfs/dbraw/zinc/46/51/54/554465154.db2.gz GZJRRVJWEZFKBW-UHFFFAOYSA-N -1 1 367.449 2.358 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)n1 ZINC000332591477 554478135 /nfs/dbraw/zinc/47/81/35/554478135.db2.gz GAFSRHAFBAGEPN-JTQLQIEISA-N -1 1 352.460 2.384 20 0 FEADMM Cc1nc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)[n-]c(=O)c1C ZINC000332640886 554488700 /nfs/dbraw/zinc/48/87/00/554488700.db2.gz ZPSSXLLJSCAZBQ-LLVKDONJSA-N -1 1 352.460 2.438 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)cn21 ZINC000333111242 554573994 /nfs/dbraw/zinc/57/39/94/554573994.db2.gz DZCUCEZWENVDOZ-NSHDSACASA-N -1 1 365.459 2.198 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2nnc3ccccn32)C(C)C)sc1C ZINC000333134220 554577364 /nfs/dbraw/zinc/57/73/64/554577364.db2.gz JFARKVXFERXHHH-CYBMUJFWSA-N -1 1 365.484 2.478 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Br)c(F)c1 ZINC000511071280 561855733 /nfs/dbraw/zinc/85/57/33/561855733.db2.gz BYNHJNPTAKRHLR-UHFFFAOYSA-N -1 1 368.162 2.057 20 0 FEADMM Cc1nc(-c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)co1 ZINC000350339203 554780848 /nfs/dbraw/zinc/78/08/48/554780848.db2.gz VDBZAPAUUCNERR-UHFFFAOYSA-N -1 1 350.338 2.078 20 0 FEADMM CCOc1ccc(-c2noc(-c3coc(S(=O)(=O)[N-]C)c3)n2)cc1F ZINC000350500500 554793538 /nfs/dbraw/zinc/79/35/38/554793538.db2.gz IDHREIXULPFLMG-UHFFFAOYSA-N -1 1 367.358 2.443 20 0 FEADMM CCOc1cc(-c2noc(-c3cnnn3C)n2)cc(Br)c1[O-] ZINC000350589689 554800658 /nfs/dbraw/zinc/80/06/58/554800658.db2.gz ZWWIPNBXBFMBFE-UHFFFAOYSA-N -1 1 366.175 2.399 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc([C@H]2CCCOC2)no1 ZINC000350851151 554818202 /nfs/dbraw/zinc/81/82/02/554818202.db2.gz CPGOFYWQGHVMKM-ZDUSSCGKSA-N -1 1 353.382 2.420 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)co1 ZINC000360701503 554886306 /nfs/dbraw/zinc/88/63/06/554886306.db2.gz XRKYCTQLKZOQBZ-DZGCQCFKSA-N -1 1 362.451 2.281 20 0 FEADMM O=S(=O)(NC1CC[NH+](CCOCC(F)(F)F)CC1)c1cccs1 ZINC000361503653 554922117 /nfs/dbraw/zinc/92/21/17/554922117.db2.gz IYSFNXFJRMCBED-UHFFFAOYSA-N -1 1 372.434 2.070 20 0 FEADMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)c1 ZINC000362033810 554945326 /nfs/dbraw/zinc/94/53/26/554945326.db2.gz VTAQDVNOBRHGPG-UHFFFAOYSA-N -1 1 372.406 2.200 20 0 FEADMM CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC000362688317 554980898 /nfs/dbraw/zinc/98/08/98/554980898.db2.gz LOIUNUXYTOLCKD-SNVBAGLBSA-N -1 1 353.377 2.010 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](c2noc(C3CC3)n2)c2ccccc2)no1 ZINC000363229000 555059534 /nfs/dbraw/zinc/05/95/34/555059534.db2.gz ZDZHUFCLQAOHDP-OAHLLOKOSA-N -1 1 374.422 2.452 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000363317107 555077134 /nfs/dbraw/zinc/07/71/34/555077134.db2.gz UQDBUCVDPKYJRC-CYBMUJFWSA-N -1 1 372.450 2.056 20 0 FEADMM C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)C1 ZINC000363416251 555100084 /nfs/dbraw/zinc/10/00/84/555100084.db2.gz BBWJAFPMCMDMGG-KRWDZBQOSA-N -1 1 353.466 2.397 20 0 FEADMM COc1cc(C)c([C@@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000511971945 561887320 /nfs/dbraw/zinc/88/73/20/561887320.db2.gz LBAVDHYVZWYISV-LLVKDONJSA-N -1 1 370.409 2.491 20 0 FEADMM O=C([O-])[C@@H]1CCCN([C@H]2CCN(c3ccccc3OC(F)F)C2=O)C1 ZINC000363789418 555186970 /nfs/dbraw/zinc/18/69/70/555186970.db2.gz NSAQEGDYYBTJIE-YPMHNXCESA-N -1 1 354.353 2.190 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC2(CCOC2=O)CC1 ZINC000364379394 555302490 /nfs/dbraw/zinc/30/24/90/555302490.db2.gz UYAOBULLKPMMQF-UHFFFAOYSA-N -1 1 354.200 2.324 20 0 FEADMM NC(=O)[C@@H]1CC[C@H]1C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798492 555339322 /nfs/dbraw/zinc/33/93/22/555339322.db2.gz AVBRESZEAMWZDM-RNFRBKRXSA-N -1 1 369.244 2.351 20 0 FEADMM COC[C@](C)(O)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798728 555339720 /nfs/dbraw/zinc/33/97/20/555339720.db2.gz KDRZHVHEFOONQS-LBPRGKRZSA-N -1 1 360.233 2.237 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@]2(CCOC2)C1)c1c(Cl)ccnc1Cl ZINC000364893588 555428727 /nfs/dbraw/zinc/42/87/27/555428727.db2.gz ZIQHQTOJOBHUKH-TVQRCGJNSA-N -1 1 367.254 2.005 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC12CCC2 ZINC000365115475 555488641 /nfs/dbraw/zinc/48/86/41/555488641.db2.gz ZLIXCCBCNYYBRW-AWEZNQCLSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC12CCC2 ZINC000365115475 555488644 /nfs/dbraw/zinc/48/86/44/555488644.db2.gz ZLIXCCBCNYYBRW-AWEZNQCLSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CCN(C(=O)C3CCCCC3)C2)sc1C ZINC000365497176 555591353 /nfs/dbraw/zinc/59/13/53/555591353.db2.gz JBDFPIMWPXYMQC-CYBMUJFWSA-N -1 1 351.472 2.831 20 0 FEADMM CCC[C@]1(CO)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000365618654 555624381 /nfs/dbraw/zinc/62/43/81/555624381.db2.gz IGSLAHQQAUIZEA-KRWDZBQOSA-N -1 1 353.488 2.156 20 0 FEADMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000365674253 555637492 /nfs/dbraw/zinc/63/74/92/555637492.db2.gz SUESXIKLOQUANK-ABAIWWIYSA-N -1 1 356.825 2.415 20 0 FEADMM Cc1cnccc1OC1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000365739817 555656105 /nfs/dbraw/zinc/65/61/05/555656105.db2.gz WJRJEAZWEDGAMF-UHFFFAOYSA-N -1 1 364.405 2.310 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1 ZINC000513562594 561942965 /nfs/dbraw/zinc/94/29/65/561942965.db2.gz LNWZOXSTFWSTTA-UHFFFAOYSA-N -1 1 354.366 2.044 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)c1Cl ZINC000366165953 555770390 /nfs/dbraw/zinc/77/03/90/555770390.db2.gz ZOKZLEAMCUCUJB-CYBMUJFWSA-N -1 1 368.890 2.268 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)COCc2ccccc2)c1 ZINC000513792466 561950136 /nfs/dbraw/zinc/95/01/36/561950136.db2.gz HASMVFLTFXLQMI-ZDUSSCGKSA-N -1 1 367.423 2.197 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2OC)c1 ZINC000513847460 561952298 /nfs/dbraw/zinc/95/22/98/561952298.db2.gz LNOWBXLXTBMVIM-PBHICJAKSA-N -1 1 365.407 2.083 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(F)ccc2SC)c1 ZINC000513851070 561952523 /nfs/dbraw/zinc/95/25/23/561952523.db2.gz ILZQUTVYOBCGSQ-UHFFFAOYSA-N -1 1 359.400 2.406 20 0 FEADMM C/C=C/c1ccc(OCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(OC)c1 ZINC000366658431 555901651 /nfs/dbraw/zinc/90/16/51/555901651.db2.gz TVEWKAFSOOOQML-LYKUJDHUSA-N -1 1 357.414 2.026 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccsc3)C[C@H]2C)co1 ZINC000366817411 555942606 /nfs/dbraw/zinc/94/26/06/555942606.db2.gz ZZOROSUQHXNRMB-PWSUYJOCSA-N -1 1 354.453 2.267 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3CCC(=O)N[C@H]3C3CC3)nc2)[n-]c(=O)c1C ZINC000367417680 556043455 /nfs/dbraw/zinc/04/34/55/556043455.db2.gz IDMIJLSXNFPBGM-YOEHRIQHSA-N -1 1 353.426 2.330 20 0 FEADMM CCC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000514791400 561979913 /nfs/dbraw/zinc/97/99/13/561979913.db2.gz RAQSYKZOPNZZFK-BLLLJJGKSA-N -1 1 358.442 2.008 20 0 FEADMM CCN1C(=O)N=NC1C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000367717733 556121823 /nfs/dbraw/zinc/12/18/23/556121823.db2.gz DSRMUHRDBNURKP-UHFFFAOYSA-N -1 1 352.341 2.007 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@H]1c1cccc(Br)c1 ZINC000367723877 556123524 /nfs/dbraw/zinc/12/35/24/556123524.db2.gz UHFPWNRCKBQRKN-NSHDSACASA-N -1 1 372.244 2.463 20 0 FEADMM COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)c1 ZINC000367723112 556123648 /nfs/dbraw/zinc/12/36/48/556123648.db2.gz RTMMTYHSCNSWKV-YGRLFVJLSA-N -1 1 351.428 2.346 20 0 FEADMM COCc1ccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 ZINC000514995840 561990692 /nfs/dbraw/zinc/99/06/92/561990692.db2.gz GMDBACPDWAMJLK-UHFFFAOYSA-N -1 1 354.384 2.058 20 0 FEADMM COC(=O)c1cn([C@@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)nn1 ZINC000368419842 556303600 /nfs/dbraw/zinc/30/36/00/556303600.db2.gz OVWHXXKJVBJBIJ-CQSZACIVSA-N -1 1 366.377 2.011 20 0 FEADMM Cc1ccc(CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cn1 ZINC000368503821 556329105 /nfs/dbraw/zinc/32/91/05/556329105.db2.gz RNYZTSGPOCFOMP-HNNXBMFYSA-N -1 1 360.780 2.144 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c1 ZINC000368507844 556331009 /nfs/dbraw/zinc/33/10/09/556331009.db2.gz NEQNPGCICUOUCQ-CQSZACIVSA-N -1 1 367.354 2.141 20 0 FEADMM Cc1c(Br)scc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000368649711 556373898 /nfs/dbraw/zinc/37/38/98/556373898.db2.gz ICWXMLFVILUYLU-MRVPVSSYSA-N -1 1 356.249 2.352 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)o1 ZINC000369096215 556503666 /nfs/dbraw/zinc/50/36/66/556503666.db2.gz PPHOVXWFXNPUOD-GFCCVEGCSA-N -1 1 351.380 2.258 20 0 FEADMM Cc1nc(CCNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cs1 ZINC000515904097 562024968 /nfs/dbraw/zinc/02/49/68/562024968.db2.gz VQPLSEFFFDTXJW-UHFFFAOYSA-N -1 1 369.450 2.219 20 0 FEADMM Cc1nc([C@H]2COCCN2C(=O)c2cc(Br)ccc2[O-])no1 ZINC000369282907 556564235 /nfs/dbraw/zinc/56/42/35/556564235.db2.gz KDROJXYBUDKZNZ-LLVKDONJSA-N -1 1 368.187 2.060 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)co1 ZINC000369549195 556628615 /nfs/dbraw/zinc/62/86/15/556628615.db2.gz XDHZLBZQYHGBFX-WCQYABFASA-N -1 1 366.414 2.393 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3C[C@H]4CCCCN4C3=O)nc2)[n-]c(=O)c1C ZINC000516257105 562037656 /nfs/dbraw/zinc/03/76/56/562037656.db2.gz UNZSQFVCYDQIMO-CABCVRRESA-N -1 1 353.426 2.426 20 0 FEADMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cscn2)nc1C ZINC000516566564 562048505 /nfs/dbraw/zinc/04/85/05/562048505.db2.gz FJRCRCMSASWHIC-MRVPVSSYSA-N -1 1 361.470 2.124 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000370017712 556759123 /nfs/dbraw/zinc/75/91/23/556759123.db2.gz LFANUUYUYPGNIH-MFKMUULPSA-N -1 1 372.450 2.136 20 0 FEADMM O=S(=O)([N-][C@H]1Cc2ccccc2[C@H]1O)c1c(Cl)ccnc1Cl ZINC000370233351 556817598 /nfs/dbraw/zinc/81/75/98/556817598.db2.gz OMKFAKNRQMYEIB-NWDGAFQWSA-N -1 1 359.234 2.325 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CC(=O)N4CCCC[C@H]34)nc2)[n-]c(=O)c1C ZINC000370286335 556829882 /nfs/dbraw/zinc/82/98/82/556829882.db2.gz UXIFTYWMQDAORF-HUUCEWRRSA-N -1 1 353.426 2.426 20 0 FEADMM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc(=O)n1[O-] ZINC000370460945 556878960 /nfs/dbraw/zinc/87/89/60/556878960.db2.gz PCSDENMBUMMXRV-UHFFFAOYSA-N -1 1 361.829 2.133 20 0 FEADMM O=S(=O)(c1ccccc1)N1CC[C@H](NCc2cc(O)cc(F)c2)C1 ZINC000370641557 556928453 /nfs/dbraw/zinc/92/84/53/556928453.db2.gz CUITYPMTNNDCAX-HNNXBMFYSA-N -1 1 350.415 2.084 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C)CCC2)c(F)c1 ZINC000516908509 562063977 /nfs/dbraw/zinc/06/39/77/562063977.db2.gz XAQKCKPIYJVCKC-UHFFFAOYSA-N -1 1 364.464 2.198 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CNC(=O)c3ccccc32)c1Br ZINC000625963764 556962560 /nfs/dbraw/zinc/96/25/60/556962560.db2.gz JGIZYLDMNHKCKX-SNVBAGLBSA-N -1 1 363.215 2.200 20 0 FEADMM Cc1ccccc1C1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCCCC1 ZINC000370856830 556992627 /nfs/dbraw/zinc/99/26/27/556992627.db2.gz LZPKSDQHJCQLLW-MRXNPFEDSA-N -1 1 355.442 2.310 20 0 FEADMM O=C(c1ccc(SC(F)(F)F)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370858158 556993088 /nfs/dbraw/zinc/99/30/88/556993088.db2.gz BOBQYIYHMIENEF-JTQLQIEISA-N -1 1 359.333 2.025 20 0 FEADMM O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cc(F)ccc1[O-] ZINC000370930716 557020517 /nfs/dbraw/zinc/02/05/17/557020517.db2.gz FTDSLXSQJHHIMQ-QMMMGPOBSA-N -1 1 358.295 2.178 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000517235713 562081669 /nfs/dbraw/zinc/08/16/69/562081669.db2.gz QSOPYQGMIKGNPD-WMLDXEAASA-N -1 1 370.453 2.470 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)o1 ZINC000371389022 557170558 /nfs/dbraw/zinc/17/05/58/557170558.db2.gz PSKCWWTVDMFHLM-BBRMVZONSA-N -1 1 365.407 2.122 20 0 FEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000517918373 562100704 /nfs/dbraw/zinc/10/07/04/562100704.db2.gz IAPOHJHEGQWMRM-ZBFHGGJFSA-N -1 1 362.474 2.445 20 0 FEADMM CC(C)=CCSc1ccccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000371740459 557280124 /nfs/dbraw/zinc/28/01/24/557280124.db2.gz DRWDXLWDNRSAQE-CQSZACIVSA-N -1 1 359.455 2.472 20 0 FEADMM Cn1cc([C@@H](NCC(=O)[N-]OCc2ccccc2)c2ccccc2)cn1 ZINC000371755076 557283903 /nfs/dbraw/zinc/28/39/03/557283903.db2.gz XAEXGYIGRRGQCQ-FQEVSTJZSA-N -1 1 350.422 2.347 20 0 FEADMM COc1cc(NC(=O)[C@H](C)n2nc(C)cc2C)ccc1[N-]S(C)(=O)=O ZINC000518026315 562102832 /nfs/dbraw/zinc/10/28/32/562102832.db2.gz SREMGIXAFKIJQX-LBPRGKRZSA-N -1 1 366.443 2.080 20 0 FEADMM CN1C(=O)C[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@@H]1c1cccs1 ZINC000371797347 557296093 /nfs/dbraw/zinc/29/60/93/557296093.db2.gz SUPPGWIINVGOIO-IINYFYTJSA-N -1 1 368.422 2.086 20 0 FEADMM COc1ccc(N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1OC ZINC000518747618 562117397 /nfs/dbraw/zinc/11/73/97/562117397.db2.gz NPOPNNGRQNBGHT-UHFFFAOYSA-N -1 1 370.409 2.274 20 0 FEADMM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000372142175 557391162 /nfs/dbraw/zinc/39/11/62/557391162.db2.gz BMHTYODEZGBEBL-TZMCWYRMSA-N -1 1 353.444 2.124 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(F)cc1 ZINC000518886458 562120341 /nfs/dbraw/zinc/12/03/41/562120341.db2.gz VQIWAJMOEJIXEZ-INIZCTEOSA-N -1 1 370.384 2.202 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1C(N)=O ZINC000372344844 557446106 /nfs/dbraw/zinc/44/61/06/557446106.db2.gz ICFFQYIOZOYKBW-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM Cn1cccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1=O ZINC000519217787 562127406 /nfs/dbraw/zinc/12/74/06/562127406.db2.gz FCVIOBCADSAYAN-UHFFFAOYSA-N -1 1 366.292 2.224 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)c2cccc(Br)c2[O-])C1 ZINC000519311238 562129063 /nfs/dbraw/zinc/12/90/63/562129063.db2.gz VRMPQPUWAGKRSZ-LBPRGKRZSA-N -1 1 371.275 2.241 20 0 FEADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccnc(N2CCOCC2)n1 ZINC000627770346 557491852 /nfs/dbraw/zinc/49/18/52/557491852.db2.gz SBYNTNYGXURAJJ-UHFFFAOYSA-N -1 1 356.411 2.017 20 0 FEADMM COc1cc(OC)c2ncc(C(=O)[O-])c(N3CC[C@H](c4nc[nH]n4)C3)c2c1 ZINC000519605010 562136709 /nfs/dbraw/zinc/13/67/09/562136709.db2.gz KRBYNTKXFFXWJA-JTQLQIEISA-N -1 1 369.381 2.062 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)n1 ZINC000373075780 557622224 /nfs/dbraw/zinc/62/22/24/557622224.db2.gz YWWBYYLNYSLOHD-UHFFFAOYSA-N -1 1 374.445 2.087 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCc1ccccn1 ZINC000520132200 562149649 /nfs/dbraw/zinc/14/96/49/562149649.db2.gz RXYUTLDYEPQQLS-UHFFFAOYSA-N -1 1 363.421 2.239 20 0 FEADMM F[C@H]1C[C@@H](CN=c2[n-]c(C(F)(F)F)cs2)N(Cc2cncnc2)C1 ZINC000373681574 557737969 /nfs/dbraw/zinc/73/79/69/557737969.db2.gz NEZQWFSSLVJVQE-QWRGUYRKSA-N -1 1 361.368 2.976 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC3(C)CCCC3)CC2)n1 ZINC000373894586 557781596 /nfs/dbraw/zinc/78/15/96/557781596.db2.gz JQQFMSMXTUBRCD-UHFFFAOYSA-N -1 1 363.462 2.451 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCN(c3ccccc3)C1=O)c2=O ZINC000521037673 562168098 /nfs/dbraw/zinc/16/80/98/562168098.db2.gz VVXBOYWKVGDWQX-MRXNPFEDSA-N -1 1 362.389 2.179 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)cnc2n1 ZINC000521037673 562168099 /nfs/dbraw/zinc/16/80/99/562168099.db2.gz VVXBOYWKVGDWQX-MRXNPFEDSA-N -1 1 362.389 2.179 20 0 FEADMM COC(=O)[C@]1(C)CN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1C ZINC000374400831 557879108 /nfs/dbraw/zinc/87/91/08/557879108.db2.gz KOHURBADWQOOFU-RFAUZJTJSA-N -1 1 356.216 2.426 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)c1 ZINC000374479390 557889289 /nfs/dbraw/zinc/88/92/89/557889289.db2.gz OJLQJUGCINIZOQ-OAHLLOKOSA-N -1 1 360.410 2.299 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCC3=O)cc1 ZINC000374835837 557938408 /nfs/dbraw/zinc/93/84/08/557938408.db2.gz FDSYANVBYZECOC-UHFFFAOYSA-N -1 1 361.375 2.080 20 0 FEADMM Cc1nc([C@H]2CCCCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)no1 ZINC000374841982 557939298 /nfs/dbraw/zinc/93/92/98/557939298.db2.gz GRROCBBHCCNPFL-CQSZACIVSA-N -1 1 353.382 2.372 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1C ZINC000521278686 562173492 /nfs/dbraw/zinc/17/34/92/562173492.db2.gz MYXOBNATAMZGGB-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1Cl ZINC000375576028 558051347 /nfs/dbraw/zinc/05/13/47/558051347.db2.gz DWGLRHMNDMEVRA-DGCLKSJQSA-N -1 1 372.874 2.061 20 0 FEADMM Cc1c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cnn1CC1CCOCC1 ZINC000376334645 558159471 /nfs/dbraw/zinc/15/94/71/558159471.db2.gz QCAAHBDJVZJBIR-UHFFFAOYSA-N -1 1 367.413 2.051 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCc1ccco1 ZINC000521701479 562182608 /nfs/dbraw/zinc/18/26/08/562182608.db2.gz BQOVTDVOIHJHTH-UHFFFAOYSA-N -1 1 352.394 2.437 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC([C@H](O)c4ccccc4)CC3)ccnc1-2 ZINC000376631317 558200194 /nfs/dbraw/zinc/20/01/94/558200194.db2.gz VDNGCUFJOAWGRX-CNGOPUHISA-N -1 1 365.437 2.319 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000377244737 558297789 /nfs/dbraw/zinc/29/77/89/558297789.db2.gz XXNBEGUWOAXZPD-RDJZCZTQSA-N -1 1 374.485 2.051 20 0 FEADMM CCC[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000522169804 562193116 /nfs/dbraw/zinc/19/31/16/562193116.db2.gz RVWRQPGMACRSDQ-CYBMUJFWSA-N -1 1 370.471 2.178 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000377835006 558431475 /nfs/dbraw/zinc/43/14/75/558431475.db2.gz QASCLGGWTYOCTN-UHFFFAOYSA-N -1 1 359.835 2.234 20 0 FEADMM COC(C)(C)CS(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000377853839 558435486 /nfs/dbraw/zinc/43/54/86/558435486.db2.gz CRBXXDDVTZJVQY-UHFFFAOYSA-N -1 1 355.456 2.042 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000377866754 558437761 /nfs/dbraw/zinc/43/77/61/558437761.db2.gz ZECRWEDQHJRFKN-GFCCVEGCSA-N -1 1 362.411 2.622 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@@H](CNC(=O)c2cc(F)ccc2[O-])C1 ZINC000378199523 558501118 /nfs/dbraw/zinc/50/11/18/558501118.db2.gz JIPPITXYMDFHNA-HNNXBMFYSA-N -1 1 356.397 2.352 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)o1 ZINC000523576420 562215467 /nfs/dbraw/zinc/21/54/67/562215467.db2.gz XMLYDTUYGHCIIX-UHFFFAOYSA-N -1 1 364.398 2.409 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(C(=O)c3cccs3)CC1)c2=O ZINC000378571553 558585810 /nfs/dbraw/zinc/58/58/10/558585810.db2.gz VSPOWNZOFRNPTL-UHFFFAOYSA-N -1 1 370.434 2.471 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000392050195 558615780 /nfs/dbraw/zinc/61/57/80/558615780.db2.gz IXNGHTGVSIXINP-UHFFFAOYSA-N -1 1 354.276 2.149 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000392140534 558616049 /nfs/dbraw/zinc/61/60/49/558616049.db2.gz DOXYGTDCXNOBEC-UHFFFAOYSA-N -1 1 368.392 2.131 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)cnc2n1 ZINC000408132642 558650076 /nfs/dbraw/zinc/65/00/76/558650076.db2.gz LNDCAUUEPSRGMW-CQSZACIVSA-N -1 1 368.437 2.118 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)c[n-]c2n1 ZINC000408132642 558650080 /nfs/dbraw/zinc/65/00/80/558650080.db2.gz LNDCAUUEPSRGMW-CQSZACIVSA-N -1 1 368.437 2.118 20 0 FEADMM COc1cc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cc(Cl)c1[O-] ZINC000408328759 558667056 /nfs/dbraw/zinc/66/70/56/558667056.db2.gz XIYXTVDRBNRSBS-QGZVFWFLSA-N -1 1 355.818 2.464 20 0 FEADMM Cc1nn(C)cc1[C@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000524337944 562227170 /nfs/dbraw/zinc/22/71/70/562227170.db2.gz DZZPCNQUKGONFY-LBPRGKRZSA-N -1 1 366.425 2.014 20 0 FEADMM Cc1c(C(=O)NC2(c3nn[n-]n3)CCCC2)cnn1-c1ccc(C)cc1 ZINC000524576788 562230452 /nfs/dbraw/zinc/23/04/52/562230452.db2.gz VOVNWHAMTWHPNO-UHFFFAOYSA-N -1 1 351.414 2.202 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000410281489 558749925 /nfs/dbraw/zinc/74/99/25/558749925.db2.gz KBMNFNJLFFKHAL-UHFFFAOYSA-N -1 1 359.773 2.638 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1csc(-c2ccccc2C)n1 ZINC000410281912 558749955 /nfs/dbraw/zinc/74/99/55/558749955.db2.gz MRXUARUQFLJCTE-UHFFFAOYSA-N -1 1 355.423 2.762 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410401246 558755391 /nfs/dbraw/zinc/75/53/91/558755391.db2.gz OMDMCVJZPZXMEW-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM Cc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000524868943 562236416 /nfs/dbraw/zinc/23/64/16/562236416.db2.gz QZXOSOJXBQADDV-UHFFFAOYSA-N -1 1 374.360 2.454 20 0 FEADMM COc1cc(NC(=O)NCc2ncccc2C)ccc1[N-]S(C)(=O)=O ZINC000524899798 562237277 /nfs/dbraw/zinc/23/72/77/562237277.db2.gz NPYITYCOFSYSOE-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cn1 ZINC000525018837 562239600 /nfs/dbraw/zinc/23/96/00/562239600.db2.gz UQZSULINQZSRRP-UHFFFAOYSA-N -1 1 352.391 2.289 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000525533520 562250038 /nfs/dbraw/zinc/25/00/38/562250038.db2.gz JFXRPSOONBAJFG-UHFFFAOYSA-N -1 1 366.420 2.440 20 0 FEADMM O=C(NC[C@H](CO)Cc1cccnc1)c1ccc(Br)c([O-])c1 ZINC000412279709 559024540 /nfs/dbraw/zinc/02/45/40/559024540.db2.gz BKRNKCRJWKWFLJ-GFCCVEGCSA-N -1 1 365.227 2.131 20 0 FEADMM COc1cc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000413948690 559142614 /nfs/dbraw/zinc/14/26/14/559142614.db2.gz WPXDAKWRNYOWCW-LJQANCHMSA-N -1 1 374.824 2.323 20 0 FEADMM CCOc1ccncc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000414370584 559159003 /nfs/dbraw/zinc/15/90/03/559159003.db2.gz KUBUEVVBAVVCBF-UHFFFAOYSA-N -1 1 365.386 2.305 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)ccn1 ZINC000414453031 559164811 /nfs/dbraw/zinc/16/48/11/559164811.db2.gz OHEUSYHZDAXQHX-NSHDSACASA-N -1 1 361.423 2.189 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)n1 ZINC000415651984 559258370 /nfs/dbraw/zinc/25/83/70/559258370.db2.gz UPQFVCWPWWTBGH-MRXNPFEDSA-N -1 1 373.409 2.462 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000416147970 559294448 /nfs/dbraw/zinc/29/44/48/559294448.db2.gz SDJXWFFGPRRYNW-UHFFFAOYSA-N -1 1 361.398 2.142 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(C(F)(F)F)CCCC2)c1 ZINC000416196888 559297787 /nfs/dbraw/zinc/29/77/87/559297787.db2.gz XNOXTHOPECYEEL-UHFFFAOYSA-N -1 1 352.334 2.101 20 0 FEADMM CCc1nc(=NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)[n-][nH]1 ZINC000416179739 559296689 /nfs/dbraw/zinc/29/66/89/559296689.db2.gz QNHFMBCKCWQDFU-UHFFFAOYSA-N -1 1 354.389 2.823 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000416210204 559298474 /nfs/dbraw/zinc/29/84/74/559298474.db2.gz OYYWCNMDQIFVHC-UHFFFAOYSA-N -1 1 355.753 2.354 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(C(F)(F)F)cc1C ZINC000416218069 559299046 /nfs/dbraw/zinc/29/90/46/559299046.db2.gz UFAFBIPSVWPLEJ-UHFFFAOYSA-N -1 1 357.288 2.154 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(C)c(C)c2)sc1C ZINC000416513986 559319141 /nfs/dbraw/zinc/31/91/41/559319141.db2.gz FNLGYQUCBYJBDT-OAHLLOKOSA-N -1 1 354.497 2.259 20 0 FEADMM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000416517389 559319364 /nfs/dbraw/zinc/31/93/64/559319364.db2.gz ILGCSGDPPDTRSZ-UHFFFAOYSA-N -1 1 357.234 2.326 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCCc2cccnc2)o1 ZINC000416529853 559319965 /nfs/dbraw/zinc/31/99/65/559319965.db2.gz CRIYCZXCMBBTOD-GFCCVEGCSA-N -1 1 352.412 2.151 20 0 FEADMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C12CCC2 ZINC000416558045 559321693 /nfs/dbraw/zinc/32/16/93/559321693.db2.gz IAORCKXKTZBSFP-BDAKNGLRSA-N -1 1 350.234 2.278 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F ZINC000416609531 559325006 /nfs/dbraw/zinc/32/50/06/559325006.db2.gz VFFUUECWZVXABX-QMMMGPOBSA-N -1 1 357.325 2.479 20 0 FEADMM Cn1cc([C@H](NCc2cc(Br)cc3c2OCC3)C(=O)[O-])cn1 ZINC000417598876 559368912 /nfs/dbraw/zinc/36/89/12/559368912.db2.gz OJSNMNUSOXQSAW-ZDUSSCGKSA-N -1 1 366.215 2.033 20 0 FEADMM O=C([O-])[C@H]1CC(=O)N(CCNCc2cc(Cl)ccc2OCC2CC2)C1 ZINC000417623458 559369509 /nfs/dbraw/zinc/36/95/09/559369509.db2.gz JTPXMYGHRSUTAR-AWEZNQCLSA-N -1 1 366.845 2.152 20 0 FEADMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000421910100 559556111 /nfs/dbraw/zinc/55/61/11/559556111.db2.gz AMOMKCPALZJQDS-NWDGAFQWSA-N -1 1 374.441 2.256 20 0 FEADMM Cc1cc(=NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)[nH]n1C(C)C ZINC000422081714 559564134 /nfs/dbraw/zinc/56/41/34/559564134.db2.gz QKKWDXWQTYFFFO-UHFFFAOYSA-N -1 1 356.430 2.709 20 0 FEADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ccn(CCC(F)(F)F)n2)C1 ZINC000424078138 559654007 /nfs/dbraw/zinc/65/40/07/559654007.db2.gz CVFASGOFJPELBC-QWRGUYRKSA-N -1 1 354.398 2.470 20 0 FEADMM Cc1c([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cnn1C ZINC000424098277 559654742 /nfs/dbraw/zinc/65/47/42/559654742.db2.gz SPEYOISOJUWDNA-LSDHHAIUSA-N -1 1 371.409 2.124 20 0 FEADMM CCC(CC)(CNC(=O)c1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000424238140 559659002 /nfs/dbraw/zinc/65/90/02/559659002.db2.gz DLLXSOOKIBDPNM-UHFFFAOYSA-N -1 1 361.486 2.055 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NCc1ccc(F)c(CN(C)C)c1)C(=O)[O-] ZINC000424405380 559663348 /nfs/dbraw/zinc/66/33/48/559663348.db2.gz HSXYEURYIQEKTE-AWEZNQCLSA-N -1 1 353.438 2.433 20 0 FEADMM C[C@@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000425035886 559684479 /nfs/dbraw/zinc/68/44/79/559684479.db2.gz IDDGXSGWSCJEAY-RISCZKNCSA-N -1 1 374.441 2.256 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425239126 559692944 /nfs/dbraw/zinc/69/29/44/559692944.db2.gz KBMNXVRGHPKEQT-ZBFHGGJFSA-N -1 1 360.483 2.663 20 0 FEADMM O=C(COCc1cccc(Cl)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293142 559694956 /nfs/dbraw/zinc/69/49/56/559694956.db2.gz BFTVPBPBMQIPBM-GFCCVEGCSA-N -1 1 351.790 2.351 20 0 FEADMM O=C(c1cc(F)ccc1-n1cccn1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300900 559695374 /nfs/dbraw/zinc/69/53/74/559695374.db2.gz LNFNFGQZPSIXDH-LLVKDONJSA-N -1 1 357.345 2.120 20 0 FEADMM O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425303798 559695558 /nfs/dbraw/zinc/69/55/58/559695558.db2.gz PCFAZLFBFQPXMF-OAHLLOKOSA-N -1 1 353.382 2.040 20 0 FEADMM CCOc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H](c3n[n-]c(=O)o3)C1)CO2 ZINC000425308153 559695846 /nfs/dbraw/zinc/69/58/46/559695846.db2.gz VDUCTPVZTQAGON-GXTWGEPZSA-N -1 1 373.409 2.131 20 0 FEADMM O=C([C@@H]1COCC[C@@H]1c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425309348 559696088 /nfs/dbraw/zinc/69/60/88/559696088.db2.gz VZPCGFRWRDQPHH-BZUAXINKSA-N -1 1 357.410 2.302 20 0 FEADMM Cc1cc(-c2nc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)co2)ccn1 ZINC000425315380 559696338 /nfs/dbraw/zinc/69/63/38/559696338.db2.gz BKVNXSUMVDMTGI-UHFFFAOYSA-N -1 1 355.354 2.153 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1csc(=NC2CC2)[n-]1)Cc1cccc(C)c1 ZINC000425923116 559725265 /nfs/dbraw/zinc/72/52/65/559725265.db2.gz SJUNMYJUWMEFJJ-CQSZACIVSA-N -1 1 373.478 2.788 20 0 FEADMM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000427232102 559750933 /nfs/dbraw/zinc/75/09/33/559750933.db2.gz ZSQNULPTAQKDJV-GFCCVEGCSA-N -1 1 373.375 2.440 20 0 FEADMM Cc1nc2ccc(S(=O)(=O)N=c3cc(OC(F)F)n(C)[n-]3)cc2s1 ZINC000427334391 559753621 /nfs/dbraw/zinc/75/36/21/559753621.db2.gz IWPWHLBBQKQTOD-UHFFFAOYSA-N -1 1 374.394 2.740 20 0 FEADMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1-c1ncco1 ZINC000427339576 559753743 /nfs/dbraw/zinc/75/37/43/559753743.db2.gz WDWBOAKBEWWVQN-UHFFFAOYSA-N -1 1 361.379 2.488 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCc2cccc(F)c21 ZINC000427597529 559758577 /nfs/dbraw/zinc/75/85/77/559758577.db2.gz VRIATQBFVJZIMA-UHFFFAOYSA-N -1 1 365.368 2.219 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1nnc(C)s1 ZINC000427735093 559761078 /nfs/dbraw/zinc/76/10/78/559761078.db2.gz PPGPQYOEFHZSIG-UHFFFAOYSA-N -1 1 354.457 2.275 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000428687495 559781281 /nfs/dbraw/zinc/78/12/81/559781281.db2.gz WKDFCMIHJDGHSR-MRXNPFEDSA-N -1 1 373.478 2.964 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)n1 ZINC000428704317 559781538 /nfs/dbraw/zinc/78/15/38/559781538.db2.gz AOLUSANFHYAFBA-UHFFFAOYSA-N -1 1 360.439 2.177 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 ZINC000428701159 559781552 /nfs/dbraw/zinc/78/15/52/559781552.db2.gz OFMODYUSVPHGLW-JTQLQIEISA-N -1 1 358.423 2.211 20 0 FEADMM NC(=O)c1csc(=N[C@@H]2CCN(c3cccc(Br)c3)C2)[n-]1 ZINC000432146477 559852943 /nfs/dbraw/zinc/85/29/43/559852943.db2.gz BFINVRJZEKCVOU-SNVBAGLBSA-N -1 1 367.272 2.695 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc(OC)c1 ZINC000432205219 559854123 /nfs/dbraw/zinc/85/41/23/559854123.db2.gz KNNYKOWWQOVXCT-UHFFFAOYSA-N -1 1 360.391 2.346 20 0 FEADMM COc1cc(NC(=O)[C@@H]2CCC[C@H](OC)C2)ccc1[N-]S(C)(=O)=O ZINC000432391151 559857819 /nfs/dbraw/zinc/85/78/19/559857819.db2.gz IGYSTLXQYPHLDS-YPMHNXCESA-N -1 1 356.444 2.210 20 0 FEADMM O=C(Cc1ccc(Br)cc1O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000432408745 559858173 /nfs/dbraw/zinc/85/81/73/559858173.db2.gz CTIKGEVJLMTRJP-UHFFFAOYSA-N -1 1 365.109 2.473 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CCC[C@@H](OC)C2)cc1[N-]S(C)(=O)=O ZINC000432407935 559858210 /nfs/dbraw/zinc/85/82/10/559858210.db2.gz QNJSFFZIMWXUPM-DGCLKSJQSA-N -1 1 356.444 2.210 20 0 FEADMM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(C(=O)OCC)o2)CCCC1 ZINC000433462104 559882178 /nfs/dbraw/zinc/88/21/78/559882178.db2.gz XUGVVBWRUUOZLE-UHFFFAOYSA-N -1 1 373.427 2.001 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cccc(OCC)c2)o1 ZINC000433494478 559883043 /nfs/dbraw/zinc/88/30/43/559883043.db2.gz VBCKRWHMRQXENN-UHFFFAOYSA-N -1 1 367.423 2.376 20 0 FEADMM COC(=O)c1[n-]c(=N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)sc1C ZINC000433772903 559887629 /nfs/dbraw/zinc/88/76/29/559887629.db2.gz CLWHZMBYLSLVAJ-VIFPVBQESA-N -1 1 367.377 2.734 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCN2c3ccccc3C[C@H]2C)sc1C ZINC000435215854 559918074 /nfs/dbraw/zinc/91/80/74/559918074.db2.gz IDFSUNVSWNYFQW-LLVKDONJSA-N -1 1 351.497 2.489 20 0 FEADMM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C(=O)OC)co2)c1 ZINC000435428562 559922631 /nfs/dbraw/zinc/92/26/31/559922631.db2.gz SXICKKLPOPCQQH-LSDHHAIUSA-N -1 1 365.407 2.299 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2nc(-c3ccccc3)cs2)[n-]1 ZINC000435696479 559928350 /nfs/dbraw/zinc/92/83/50/559928350.db2.gz QAPUSDAGCBTBHR-UHFFFAOYSA-N -1 1 350.425 2.049 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2nc(-c3ccccc3)cs2)n[n-]1 ZINC000435696479 559928351 /nfs/dbraw/zinc/92/83/51/559928351.db2.gz QAPUSDAGCBTBHR-UHFFFAOYSA-N -1 1 350.425 2.049 20 0 FEADMM O=C(NCCCN1CCCCC1=O)c1ccc(Br)cc1[O-] ZINC000436556644 559945404 /nfs/dbraw/zinc/94/54/04/559945404.db2.gz OSJFHSVYMOTTAF-UHFFFAOYSA-N -1 1 355.232 2.287 20 0 FEADMM CC(C)(C)N1C[C@H](NC(=O)c2ccc(Br)cc2[O-])CC1=O ZINC000436573410 559945841 /nfs/dbraw/zinc/94/58/41/559945841.db2.gz HOVYWFPDEOYMIX-SNVBAGLBSA-N -1 1 355.232 2.284 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NCC(=O)c2cccs2)n1 ZINC000436124629 559935718 /nfs/dbraw/zinc/93/57/18/559935718.db2.gz GACHKGPNEGLZBU-UHFFFAOYSA-N -1 1 351.453 2.287 20 0 FEADMM COC(=O)c1cccc(F)c1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000436192040 559937339 /nfs/dbraw/zinc/93/73/39/559937339.db2.gz RXRZEQLEEGFCFW-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCc2c(F)cccc2F)n1 ZINC000436249074 559938316 /nfs/dbraw/zinc/93/83/16/559938316.db2.gz ZGKLECKCFIURFQ-UHFFFAOYSA-N -1 1 353.394 2.474 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1 ZINC000436503220 559943409 /nfs/dbraw/zinc/94/34/09/559943409.db2.gz GBYGUMJSLUTHEI-UHFFFAOYSA-N -1 1 358.379 2.288 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)c1 ZINC000436505360 559943432 /nfs/dbraw/zinc/94/34/32/559943432.db2.gz MITDVWQBESCWPY-CYBMUJFWSA-N -1 1 360.410 2.370 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2nc3ccccc3oc2=O)c1 ZINC000436507964 559943698 /nfs/dbraw/zinc/94/36/98/559943698.db2.gz YFVHBXCEHFAVIX-UHFFFAOYSA-N -1 1 368.345 2.252 20 0 FEADMM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1c([O-])cccc1F ZINC000436517935 559944019 /nfs/dbraw/zinc/94/40/19/559944019.db2.gz ZEBYTAPIKPDYEB-OAHLLOKOSA-N -1 1 357.429 2.472 20 0 FEADMM CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436529120 559944601 /nfs/dbraw/zinc/94/46/01/559944601.db2.gz JVKVRMQTJVCXEM-CYBMUJFWSA-N -1 1 374.359 2.120 20 0 FEADMM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436548001 559945014 /nfs/dbraw/zinc/94/50/14/559945014.db2.gz UCYXQOVCPURIEM-JOYOIKCWSA-N -1 1 372.874 2.484 20 0 FEADMM NC(=O)C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436649022 559947805 /nfs/dbraw/zinc/94/78/05/559947805.db2.gz QNLOEGYFYSSRFA-UHFFFAOYSA-N -1 1 367.283 2.087 20 0 FEADMM O=C(NCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1[O-] ZINC000436665268 559948196 /nfs/dbraw/zinc/94/81/96/559948196.db2.gz QLOZEBPOWBSTBW-UHFFFAOYSA-N -1 1 358.781 2.462 20 0 FEADMM O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)C(=O)c1ccc([O-])cc1 ZINC000436667647 559948282 /nfs/dbraw/zinc/94/82/82/559948282.db2.gz URMRBPQZZTUKCI-UHFFFAOYSA-N -1 1 361.357 2.283 20 0 FEADMM O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000436673248 559948369 /nfs/dbraw/zinc/94/83/69/559948369.db2.gz QLBCLEPTIZEDOW-GFCCVEGCSA-N -1 1 352.740 2.039 20 0 FEADMM Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3[O-])cc2[nH]1 ZINC000436696096 559949203 /nfs/dbraw/zinc/94/92/03/559949203.db2.gz HRBMFBLEZOEOQG-UHFFFAOYSA-N -1 1 374.422 2.080 20 0 FEADMM O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436703103 559949432 /nfs/dbraw/zinc/94/94/32/559949432.db2.gz CKUCBBFMHMBQJY-AWEZNQCLSA-N -1 1 373.453 2.452 20 0 FEADMM NC(=O)c1cccc(CCNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436723898 559950058 /nfs/dbraw/zinc/95/00/58/559950058.db2.gz MOUJBEPCDKOJHU-UHFFFAOYSA-N -1 1 363.211 2.226 20 0 FEADMM COCc1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436725573 559950177 /nfs/dbraw/zinc/95/01/77/559950177.db2.gz SIULMDLXGDDUAG-UHFFFAOYSA-N -1 1 351.380 2.346 20 0 FEADMM CC(C)CCC(=O)NCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436911328 559956179 /nfs/dbraw/zinc/95/61/79/559956179.db2.gz ACXBNNNSCVIYEJ-UHFFFAOYSA-N -1 1 365.821 2.322 20 0 FEADMM CC(C)CCC(=O)NCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436911328 559956180 /nfs/dbraw/zinc/95/61/80/559956180.db2.gz ACXBNNNSCVIYEJ-UHFFFAOYSA-N -1 1 365.821 2.322 20 0 FEADMM O=C(NCCc1nc(-c2ccncc2)cs1)C(=O)c1ccc([O-])cc1 ZINC000436970937 559957916 /nfs/dbraw/zinc/95/79/16/559957916.db2.gz HPTFOPJBOVHQHC-UHFFFAOYSA-N -1 1 353.403 2.452 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000436984706 559958470 /nfs/dbraw/zinc/95/84/70/559958470.db2.gz MRRUJLSZKCRZNR-SSDOTTSWSA-N -1 1 360.233 2.367 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccc(Br)cc1 ZINC000436984706 559958471 /nfs/dbraw/zinc/95/84/71/559958471.db2.gz MRRUJLSZKCRZNR-SSDOTTSWSA-N -1 1 360.233 2.367 20 0 FEADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c([O-])cccc1F ZINC000436989349 559958703 /nfs/dbraw/zinc/95/87/03/559958703.db2.gz OIGKXTVPSPVGJJ-VIFPVBQESA-N -1 1 350.296 2.345 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437398437 559964194 /nfs/dbraw/zinc/96/41/94/559964194.db2.gz WJORDTNQWRYCGK-MQMHXKEQSA-N -1 1 359.813 2.233 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2[nH]nc(CC)c2C)c1C ZINC000438228392 559975893 /nfs/dbraw/zinc/97/58/93/559975893.db2.gz QVKZRMHYWQMZLT-UHFFFAOYSA-N -1 1 354.432 2.203 20 0 FEADMM CCN(Cc1ccccn1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000439011781 559987131 /nfs/dbraw/zinc/98/71/31/559987131.db2.gz REPCSQKMYOJGOF-UHFFFAOYSA-N -1 1 363.421 2.127 20 0 FEADMM Cc1ccsc1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439779517 559999976 /nfs/dbraw/zinc/99/99/76/559999976.db2.gz DPXSORXPPSOIRU-UHFFFAOYSA-N -1 1 371.450 2.007 20 0 FEADMM C[C@](O)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000440208417 560006757 /nfs/dbraw/zinc/00/67/57/560006757.db2.gz RFNIBFHGLNCMQZ-IBGZPJMESA-N -1 1 374.462 2.378 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1-n1nnnc1C1CC1 ZINC000441726777 560038345 /nfs/dbraw/zinc/03/83/45/560038345.db2.gz HOOMRXZYHBYKDV-UHFFFAOYSA-N -1 1 371.422 2.349 20 0 FEADMM CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000442343036 560049479 /nfs/dbraw/zinc/04/94/79/560049479.db2.gz UKWCJVVRNAAIKE-UHFFFAOYSA-N -1 1 363.391 2.291 20 0 FEADMM COc1cc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)cc(Cl)c1[O-] ZINC000442961434 560064179 /nfs/dbraw/zinc/06/41/79/560064179.db2.gz YRKVPDAWYSQWGY-UHFFFAOYSA-N -1 1 368.821 2.164 20 0 FEADMM O=C(NCc1ccncc1OCC(F)F)c1csc(=NC2CC2)[n-]1 ZINC000442976616 560064596 /nfs/dbraw/zinc/06/45/96/560064596.db2.gz XREKMMMQBLRJHO-UHFFFAOYSA-N -1 1 354.382 2.686 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C1CC1 ZINC000443090801 560070358 /nfs/dbraw/zinc/07/03/58/560070358.db2.gz XCPWAUHGEMBVQV-OAHLLOKOSA-N -1 1 363.439 2.324 20 0 FEADMM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443228219 560075303 /nfs/dbraw/zinc/07/53/03/560075303.db2.gz VGMIWMWEPXZIJG-NEPJUHHUSA-N -1 1 371.817 2.237 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccnc2ccncc21 ZINC000443658733 560089463 /nfs/dbraw/zinc/08/94/63/560089463.db2.gz OKULZPKOUZHXAG-UHFFFAOYSA-N -1 1 370.434 2.456 20 0 FEADMM CC[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000444927457 560124915 /nfs/dbraw/zinc/12/49/15/560124915.db2.gz STGWPWJGDPOIQV-ZDUSSCGKSA-N -1 1 363.439 2.380 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCC(C)(C)C3)CC2)n1 ZINC000445227754 560131127 /nfs/dbraw/zinc/13/11/27/560131127.db2.gz XMKCUCCPRWMWSI-CYBMUJFWSA-N -1 1 363.462 2.449 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1F ZINC000446148450 560140844 /nfs/dbraw/zinc/14/08/44/560140844.db2.gz DXBMHTJHKYCKBH-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccn(-c2ccncc2)n1 ZINC000446789364 560151770 /nfs/dbraw/zinc/15/17/70/560151770.db2.gz DVNORJDDXBHUOV-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM CC(C)(OCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)C(F)(F)F ZINC000447552394 560164350 /nfs/dbraw/zinc/16/43/50/560164350.db2.gz UBBUWPQVCCVULJ-UHFFFAOYSA-N -1 1 372.340 2.493 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)COC3CCCC3)c2)n1 ZINC000447677041 560166536 /nfs/dbraw/zinc/16/65/36/560166536.db2.gz SDVAIOAFORFPBD-UHFFFAOYSA-N -1 1 372.425 2.224 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CC[C@@H](CC)O3)c2)n1 ZINC000447678115 560166801 /nfs/dbraw/zinc/16/68/01/560166801.db2.gz JDQTYKILSSYBLZ-HUUCEWRRSA-N -1 1 372.425 2.222 20 0 FEADMM CN(Cc1ccccc1NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccccc1 ZINC000447704674 560167562 /nfs/dbraw/zinc/16/75/62/560167562.db2.gz SCKNRZQFRWTYDV-UHFFFAOYSA-N -1 1 374.404 2.306 20 0 FEADMM CCc1nnsc1C(=O)[N-]c1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000447701631 560167636 /nfs/dbraw/zinc/16/76/36/560167636.db2.gz UDTBSSUGQHFPQC-UHFFFAOYSA-N -1 1 373.442 2.013 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@H]2CCCN2c2nccs2)c1Br ZINC000448316127 560183946 /nfs/dbraw/zinc/18/39/46/560183946.db2.gz PCVLMVLEAFLRFO-SECBINFHSA-N -1 1 370.276 2.799 20 0 FEADMM CCOC(=O)c1csc(=NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)[n-]1 ZINC000450487009 560263785 /nfs/dbraw/zinc/26/37/85/560263785.db2.gz MBHHUIOGHCQHNO-CXAGYDPISA-N -1 1 350.415 3.037 20 0 FEADMM Cc1ccc(Br)cc1CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000450841031 560275417 /nfs/dbraw/zinc/27/54/17/560275417.db2.gz KCMBGTQOMHCCPE-JTQLQIEISA-N -1 1 352.236 2.075 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1C ZINC000451116081 560287978 /nfs/dbraw/zinc/28/79/78/560287978.db2.gz QMCONOGKRHSJTC-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](CNC(C)=O)CC(C)C)c1 ZINC000451456268 560308018 /nfs/dbraw/zinc/30/80/18/560308018.db2.gz LCYVWQGFDCWIKI-ZDUSSCGKSA-N -1 1 350.415 2.306 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]Cc1noc(C(F)(F)F)n1 ZINC000451472243 560309150 /nfs/dbraw/zinc/30/91/50/560309150.db2.gz JYVQEPSUCWFEIZ-ZETCQYMHSA-N -1 1 363.308 2.333 20 0 FEADMM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000451780599 560328092 /nfs/dbraw/zinc/32/80/92/560328092.db2.gz WFMFPXZCOGXDQO-SFYZADRCSA-N -1 1 360.284 2.385 20 0 FEADMM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCO1 ZINC000451817844 560330490 /nfs/dbraw/zinc/33/04/90/560330490.db2.gz MVLOYJZETMIZFP-GHMZBOCLSA-N -1 1 369.409 2.168 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000451856568 560332709 /nfs/dbraw/zinc/33/27/09/560332709.db2.gz FDBFUPFKPWBHAA-KSSFIOAISA-N -1 1 360.435 2.217 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCN(C)c3ccccc32)o1 ZINC000452002299 560344541 /nfs/dbraw/zinc/34/45/41/560344541.db2.gz XWENWKFKHVSIFN-ZDUSSCGKSA-N -1 1 364.423 2.316 20 0 FEADMM Cc1nc(NC(=O)c2csc(=NC3CC3)[n-]2)ccc1-c1cnn(C)c1 ZINC000452178865 560354921 /nfs/dbraw/zinc/35/49/21/560354921.db2.gz LWKKBKHGLLEYTA-UHFFFAOYSA-N -1 1 354.439 3.074 20 0 FEADMM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)CNC(=O)c1ncccc1[O-] ZINC000452234261 560355904 /nfs/dbraw/zinc/35/59/04/560355904.db2.gz XDYQDMUEKHUARV-AXFHLTTASA-N -1 1 359.348 2.095 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1C[C@@H](F)[C@@H](F)C1 ZINC000452682277 560370899 /nfs/dbraw/zinc/37/08/99/560370899.db2.gz CEBJBVOITRVUOR-OCAPTIKFSA-N -1 1 353.106 2.129 20 0 FEADMM COC[C@@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(Cl)cc1 ZINC000452744592 560372703 /nfs/dbraw/zinc/37/27/03/560372703.db2.gz CQETWHHQWDUWMP-GFCCVEGCSA-N -1 1 374.828 2.487 20 0 FEADMM COc1cc(NC(=O)NCCC(C)(F)F)ccc1[N-]S(C)(=O)=O ZINC000454768612 560457498 /nfs/dbraw/zinc/45/74/98/560457498.db2.gz IPIYTXJAGRBFQP-UHFFFAOYSA-N -1 1 351.375 2.234 20 0 FEADMM CC1(CO)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000456259884 560513635 /nfs/dbraw/zinc/51/36/35/560513635.db2.gz WJLILOIZOZPEFV-UHFFFAOYSA-N -1 1 351.200 2.157 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCOC[C@H]1c1ccc(F)cc1)c2=O ZINC000456493775 560522308 /nfs/dbraw/zinc/52/23/08/560522308.db2.gz ZKHIJUOJOYPMCJ-HNNXBMFYSA-N -1 1 356.357 2.027 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456561361 560524268 /nfs/dbraw/zinc/52/42/68/560524268.db2.gz UWIQCUHAECQVEX-OAHLLOKOSA-N -1 1 367.515 2.395 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(CCO)c1 ZINC000456913316 560537568 /nfs/dbraw/zinc/53/75/68/560537568.db2.gz JXNLDUJIPFGUDS-UHFFFAOYSA-N -1 1 354.410 2.158 20 0 FEADMM COC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000457018737 560544186 /nfs/dbraw/zinc/54/41/86/560544186.db2.gz ASVLZNQTXHWOKO-ZDUSSCGKSA-N -1 1 372.487 2.245 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C12CCC2 ZINC000458183930 560607465 /nfs/dbraw/zinc/60/74/65/560607465.db2.gz FXXCPVGLTGZHRK-JKSUJKDBSA-N -1 1 368.437 2.169 20 0 FEADMM COCCCn1ccc(=NC(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)[nH]1 ZINC000459434797 560686320 /nfs/dbraw/zinc/68/63/20/560686320.db2.gz UXMMTGUZLMNODI-UHFFFAOYSA-N -1 1 360.443 2.167 20 0 FEADMM COc1cc(C(=O)N([C@@H](C)CS(C)(=O)=O)C2CC2)cc(Cl)c1[O-] ZINC000460208272 560738025 /nfs/dbraw/zinc/73/80/25/560738025.db2.gz ANPNXMWOXFIVMX-VIFPVBQESA-N -1 1 361.847 2.092 20 0 FEADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000460826878 560752914 /nfs/dbraw/zinc/75/29/14/560752914.db2.gz CBORFSCLTXZVPI-LBPRGKRZSA-N -1 1 373.438 2.385 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(Cl)cc3Cl)ccnc1-2 ZINC000461114419 560761800 /nfs/dbraw/zinc/76/18/00/560761800.db2.gz RQKYGTRZLBILSV-UHFFFAOYSA-N -1 1 357.222 2.449 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000461451090 560771980 /nfs/dbraw/zinc/77/19/80/560771980.db2.gz CFMUXEAKFCVLLI-RKDXNWHRSA-N -1 1 366.361 2.217 20 0 FEADMM Cc1cccnc1C(C)(C)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000461452150 560772028 /nfs/dbraw/zinc/77/20/28/560772028.db2.gz IENGPYVWWKFTKZ-UHFFFAOYSA-N -1 1 367.453 2.392 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Cl)c2F)c1 ZINC000461460360 560772510 /nfs/dbraw/zinc/77/25/10/560772510.db2.gz MFSSZAFGNQXXAA-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000461462736 560772519 /nfs/dbraw/zinc/77/25/19/560772519.db2.gz CATHYLJGMVJTQW-UHFFFAOYSA-N -1 1 372.402 2.411 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466273526 560883198 /nfs/dbraw/zinc/88/31/98/560883198.db2.gz NVDURRAIRCUZJR-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3N(C)C)cc2oc1=O ZINC000467016372 560901613 /nfs/dbraw/zinc/90/16/13/560901613.db2.gz WBHXCJYPBWSMAL-UHFFFAOYSA-N -1 1 361.423 2.481 20 0 FEADMM Cc1cc(C(=O)N2CCc3cc(F)c(F)cc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468411005 560929220 /nfs/dbraw/zinc/92/92/20/560929220.db2.gz FVAZEIXYBBFWLR-UHFFFAOYSA-N -1 1 358.304 2.226 20 0 FEADMM Cc1cc(C(=O)N2CCc3cc(F)c(F)cc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468411005 560929221 /nfs/dbraw/zinc/92/92/21/560929221.db2.gz FVAZEIXYBBFWLR-UHFFFAOYSA-N -1 1 358.304 2.226 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000469366043 560953372 /nfs/dbraw/zinc/95/33/72/560953372.db2.gz XASNTLPHRAHXEH-HNNXBMFYSA-N -1 1 353.371 2.027 20 0 FEADMM C[C@H](CCC1CC1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000469386330 560953816 /nfs/dbraw/zinc/95/38/16/560953816.db2.gz OECZJPJQARZKKF-SNVBAGLBSA-N -1 1 364.464 2.054 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1F ZINC000471592413 561008093 /nfs/dbraw/zinc/00/80/93/561008093.db2.gz FABUHQVFVLNUGY-VIFPVBQESA-N -1 1 366.370 2.355 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)c(C)c2)ccc1F ZINC000471613062 561008804 /nfs/dbraw/zinc/00/88/04/561008804.db2.gz PIHHCUIYROTEKE-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1ccc[nH]1 ZINC000474865021 561084598 /nfs/dbraw/zinc/08/45/98/561084598.db2.gz SXESCNVAFFEAAZ-UHFFFAOYSA-N -1 1 351.410 2.472 20 0 FEADMM Cc1ccc(-n2nc(C(=O)NC(C)(C)c3nn[n-]n3)c3c2CCCC3)cc1 ZINC000474999434 561087446 /nfs/dbraw/zinc/08/74/46/561087446.db2.gz OWTGHMIBGLDXCU-UHFFFAOYSA-N -1 1 365.441 2.238 20 0 FEADMM CCCc1noc2nc(C3CC3)cc(C(=O)NC(C)(C)c3nn[n-]n3)c12 ZINC000475002919 561087502 /nfs/dbraw/zinc/08/75/02/561087502.db2.gz QTDQLFAWWDPLJA-UHFFFAOYSA-N -1 1 355.402 2.231 20 0 FEADMM CCc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)c1 ZINC000475814633 561106005 /nfs/dbraw/zinc/10/60/05/561106005.db2.gz SVAARKRVJOANNG-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000477040433 561134989 /nfs/dbraw/zinc/13/49/89/561134989.db2.gz ANSHIYFLTRJBPB-UHFFFAOYSA-N -1 1 364.196 2.111 20 0 FEADMM O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000528882178 562351483 /nfs/dbraw/zinc/35/14/83/562351483.db2.gz KUOKDELHJFXRCP-ZBFHGGJFSA-N -1 1 374.876 2.224 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(O)cc(Br)c2)CCN1CC(C)(C)O ZINC000529124761 562361582 /nfs/dbraw/zinc/36/15/82/562361582.db2.gz SQODAONQHODWEN-LLVKDONJSA-N -1 1 371.275 2.072 20 0 FEADMM COCCC1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000529631496 562379450 /nfs/dbraw/zinc/37/94/50/562379450.db2.gz LKFOIMHVWHRSKN-UHFFFAOYSA-N -1 1 360.458 2.259 20 0 FEADMM O=C(NCC12CC(C1)CO2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000529876443 562389314 /nfs/dbraw/zinc/38/93/14/562389314.db2.gz IGRZUVLHKUXLJK-UHFFFAOYSA-N -1 1 372.446 2.396 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000529988784 562393668 /nfs/dbraw/zinc/39/36/68/562393668.db2.gz VSMFPDXCHWJYKJ-CQEJWKIFSA-N -1 1 370.453 2.413 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3COC3)cc2)cc1C ZINC000530113283 562398637 /nfs/dbraw/zinc/39/86/37/562398637.db2.gz LYHBRHZLNFOLFG-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1ncccc1F ZINC000530237806 562403521 /nfs/dbraw/zinc/40/35/21/562403521.db2.gz JYQQSSLWZAYLGP-NSHDSACASA-N -1 1 357.389 2.396 20 0 FEADMM COc1ccc(NC(=O)CNc2cccc(F)c2)cc1[N-]S(C)(=O)=O ZINC000530574736 562416477 /nfs/dbraw/zinc/41/64/77/562416477.db2.gz RFVQLIKMTQIXBZ-UHFFFAOYSA-N -1 1 367.402 2.256 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000531429284 562445486 /nfs/dbraw/zinc/44/54/86/562445486.db2.gz GZDGWQJYULVCIP-UHFFFAOYSA-N -1 1 372.396 2.261 20 0 FEADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 ZINC000531857512 562459074 /nfs/dbraw/zinc/45/90/74/562459074.db2.gz DJWSGKIYRAERQN-UHFFFAOYSA-N -1 1 360.439 2.178 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1 ZINC000531865631 562459291 /nfs/dbraw/zinc/45/92/91/562459291.db2.gz LEAVNMNAHIUUHO-UHFFFAOYSA-N -1 1 351.428 2.125 20 0 FEADMM COc1cccc([C@H](CC(=O)[O-])NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000532258589 562471847 /nfs/dbraw/zinc/47/18/47/562471847.db2.gz HSYGXTZGXHLHFG-INIZCTEOSA-N -1 1 353.378 2.446 20 0 FEADMM CC1(C)c2cc(S(=O)(=O)[N-]c3cccc(NC(N)=O)c3)ccc2NC1=O ZINC000532286892 562472788 /nfs/dbraw/zinc/47/27/88/562472788.db2.gz OAYZZSPXUDYQMY-UHFFFAOYSA-N -1 1 374.422 2.208 20 0 FEADMM C[C@H]1Cc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc2N1S(C)(=O)=O ZINC000532621099 562483414 /nfs/dbraw/zinc/48/34/14/562483414.db2.gz WSZMSPGQWXWELP-JTQLQIEISA-N -1 1 364.398 2.494 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc(OC(C)C)cc2)c1 ZINC000532800404 562489494 /nfs/dbraw/zinc/48/94/94/562489494.db2.gz QBKLLPSGVIERRL-UHFFFAOYSA-N -1 1 367.423 2.374 20 0 FEADMM O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)c2)CN1 ZINC000532933216 562492865 /nfs/dbraw/zinc/49/28/65/562492865.db2.gz IJSKCGBHTHLUEG-CQSZACIVSA-N -1 1 358.419 2.121 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000533164960 562500027 /nfs/dbraw/zinc/50/00/27/562500027.db2.gz WTFUCOKVYAVVAQ-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000533164972 562500029 /nfs/dbraw/zinc/50/00/29/562500029.db2.gz XOQMLUMSNQDIEO-UHFFFAOYSA-N -1 1 363.729 2.094 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])oc1C ZINC000534147530 562526566 /nfs/dbraw/zinc/52/65/66/562526566.db2.gz IXVLOOYUTSCMIR-UHFFFAOYSA-N -1 1 371.342 2.321 20 0 FEADMM Cc1ccccc1-c1cnc(CN2CCN(c3nc(=N)[n-]s3)CC2)o1 ZINC000534530071 562536112 /nfs/dbraw/zinc/53/61/12/562536112.db2.gz JFGZPCJWCZTFKG-UHFFFAOYSA-N -1 1 356.455 2.406 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000535151064 562552082 /nfs/dbraw/zinc/55/20/82/562552082.db2.gz LYRJLKOZYFTKOZ-LLVKDONJSA-N -1 1 365.890 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCSc2ccccc2)co1 ZINC000535151430 562552174 /nfs/dbraw/zinc/55/21/74/562552174.db2.gz WKRGJESYAJQYSU-UHFFFAOYSA-N -1 1 354.453 2.100 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)Cc2ccc(OC)cc2)c1 ZINC000536155355 562573344 /nfs/dbraw/zinc/57/33/44/562573344.db2.gz MRXYFAFHVUARLC-GFCCVEGCSA-N -1 1 367.423 2.232 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1c(F)cccc1F ZINC000536496098 562576967 /nfs/dbraw/zinc/57/69/67/562576967.db2.gz DFXFFZAVZVDORS-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM CS[C@@H](CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)(C)C ZINC000542207508 562627049 /nfs/dbraw/zinc/62/70/49/562627049.db2.gz JEYJXSLXQMEGHC-ZDUSSCGKSA-N -1 1 350.488 2.488 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Cc2ccc(OC)cc2)o1 ZINC000555979462 674384290 /nfs/dbraw/zinc/38/42/90/674384290.db2.gz UXCNIWHTWVEGER-GFCCVEGCSA-N -1 1 367.423 2.232 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(C)(F)F ZINC000556339107 674397819 /nfs/dbraw/zinc/39/78/19/674397819.db2.gz VRAZUCQWQANNSK-TZMCWYRMSA-N -1 1 360.426 2.254 20 0 FEADMM COC(=O)c1ccc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)nc1 ZINC000601948993 567892230 /nfs/dbraw/zinc/89/22/30/567892230.db2.gz YYRDSFKJISHVPR-MRXNPFEDSA-N -1 1 364.405 2.093 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)n[n-]1 ZINC000603022764 568052662 /nfs/dbraw/zinc/05/26/62/568052662.db2.gz PYQSXPGMYUUZCA-HUUCEWRRSA-N -1 1 356.426 2.257 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000603022764 568052663 /nfs/dbraw/zinc/05/26/63/568052663.db2.gz PYQSXPGMYUUZCA-HUUCEWRRSA-N -1 1 356.426 2.257 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCc2ccc(F)c3c2CCCC3)n[n-]1 ZINC000603023381 568052716 /nfs/dbraw/zinc/05/27/16/568052716.db2.gz SGTMEKAANKFVRS-UHFFFAOYSA-N -1 1 374.416 2.248 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2ccc(F)c3c2CCCC3)n1 ZINC000603023381 568052717 /nfs/dbraw/zinc/05/27/17/568052717.db2.gz SGTMEKAANKFVRS-UHFFFAOYSA-N -1 1 374.416 2.248 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)n[n-]1 ZINC000603155593 568068614 /nfs/dbraw/zinc/06/86/14/568068614.db2.gz OLOYUODSSPFTMV-KLRAXDNASA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)[n-]1 ZINC000603155593 568068615 /nfs/dbraw/zinc/06/86/15/568068615.db2.gz OLOYUODSSPFTMV-KLRAXDNASA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)n1 ZINC000603155593 568068616 /nfs/dbraw/zinc/06/86/16/568068616.db2.gz OLOYUODSSPFTMV-KLRAXDNASA-N -1 1 354.410 2.063 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)n[n-]1 ZINC000603167070 568070452 /nfs/dbraw/zinc/07/04/52/568070452.db2.gz SYRJYLJTNDSYEA-LBPRGKRZSA-N -1 1 356.426 2.280 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)[n-]1 ZINC000603167070 568070453 /nfs/dbraw/zinc/07/04/53/568070453.db2.gz SYRJYLJTNDSYEA-LBPRGKRZSA-N -1 1 356.426 2.280 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)n1 ZINC000603167070 568070454 /nfs/dbraw/zinc/07/04/54/568070454.db2.gz SYRJYLJTNDSYEA-LBPRGKRZSA-N -1 1 356.426 2.280 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1cc(C)cc(C)c1 ZINC000603310059 568084655 /nfs/dbraw/zinc/08/46/55/568084655.db2.gz OPMWAIFIPFVGBW-ZFWWWQNUSA-N -1 1 361.410 2.482 20 0 FEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603301372 568086704 /nfs/dbraw/zinc/08/67/04/568086704.db2.gz GOJHGUWTRJUOOH-RISCZKNCSA-N -1 1 371.446 2.088 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)C(F)F)c1OC ZINC000603424014 568096329 /nfs/dbraw/zinc/09/63/29/568096329.db2.gz OKMDMTOSJSUVMC-ZCFIWIBFSA-N -1 1 357.762 2.067 20 0 FEADMM COc1cc2[n-]cc(C(=O)N[C@H]3CCOC(C)(C)C3)c(=O)c2c(OC)c1 ZINC000626260437 568165169 /nfs/dbraw/zinc/16/51/69/568165169.db2.gz LIRIQJMJBMDTCI-NSHDSACASA-N -1 1 360.410 2.233 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NC2(C(=O)OC)CCCCC2)n1 ZINC000603899707 568179696 /nfs/dbraw/zinc/17/96/96/568179696.db2.gz SGWCHAHCHAYTJP-UHFFFAOYSA-N -1 1 367.471 2.219 20 0 FEADMM Cc1occc1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737556210 598874427 /nfs/dbraw/zinc/87/44/27/598874427.db2.gz HJKLPHGUVJNASI-UHFFFAOYSA-N -1 1 367.818 2.242 20 0 FEADMM Cc1occc1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737556210 598874429 /nfs/dbraw/zinc/87/44/29/598874429.db2.gz HJKLPHGUVJNASI-UHFFFAOYSA-N -1 1 367.818 2.242 20 0 FEADMM CC(C)(O)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735679245 598905745 /nfs/dbraw/zinc/90/57/45/598905745.db2.gz GVXVOXCCVBRHJG-UHFFFAOYSA-N -1 1 372.454 2.165 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCCC[C@H]1C ZINC000737200890 598909411 /nfs/dbraw/zinc/90/94/11/598909411.db2.gz NVUWWMXJKHGIBO-LLVKDONJSA-N -1 1 358.446 2.308 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1-c1nn[nH]n1 ZINC000822122595 607255746 /nfs/dbraw/zinc/25/57/46/607255746.db2.gz PBVJOAUDHKRHKB-UHFFFAOYSA-N -1 1 369.328 2.393 20 0 FEADMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736798157 598995820 /nfs/dbraw/zinc/99/58/20/598995820.db2.gz RIDBXKNAOORCMO-UHFFFAOYSA-N -1 1 372.816 2.456 20 0 FEADMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736798157 598995821 /nfs/dbraw/zinc/99/58/21/598995821.db2.gz RIDBXKNAOORCMO-UHFFFAOYSA-N -1 1 372.816 2.456 20 0 FEADMM COc1ccc(C)c2c1N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737073557 599002363 /nfs/dbraw/zinc/00/23/63/599002363.db2.gz DPSMTGUBBMRLFM-UHFFFAOYSA-N -1 1 350.382 2.172 20 0 FEADMM COc1ccc(C)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737073557 599002364 /nfs/dbraw/zinc/00/23/64/599002364.db2.gz DPSMTGUBBMRLFM-UHFFFAOYSA-N -1 1 350.382 2.172 20 0 FEADMM CC[C@@H]1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736401411 599013641 /nfs/dbraw/zinc/01/36/41/599013641.db2.gz WIXYCXDRLHTNCC-ZJUUUORDSA-N -1 1 362.459 2.388 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@@H]1c1ccccc1 ZINC000738260052 599016361 /nfs/dbraw/zinc/01/63/61/599016361.db2.gz XVBBRDXISRMERP-OAHLLOKOSA-N -1 1 352.423 2.192 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@@H]1c1ccccc1 ZINC000738260052 599016363 /nfs/dbraw/zinc/01/63/63/599016363.db2.gz XVBBRDXISRMERP-OAHLLOKOSA-N -1 1 352.423 2.192 20 0 FEADMM C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820697322 599337106 /nfs/dbraw/zinc/33/71/06/599337106.db2.gz GBHRWQFFKBOBDA-GHMZBOCLSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820697322 599337110 /nfs/dbraw/zinc/33/71/10/599337110.db2.gz GBHRWQFFKBOBDA-GHMZBOCLSA-N -1 1 353.423 2.205 20 0 FEADMM COc1ccc([C@@H](C)CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737072963 599090713 /nfs/dbraw/zinc/09/07/13/599090713.db2.gz OQTZGWXKYMNYGM-LBPRGKRZSA-N -1 1 352.398 2.194 20 0 FEADMM COc1ccc([C@@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737072963 599090717 /nfs/dbraw/zinc/09/07/17/599090717.db2.gz OQTZGWXKYMNYGM-LBPRGKRZSA-N -1 1 352.398 2.194 20 0 FEADMM COC[C@H](C)Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC000821682732 599123708 /nfs/dbraw/zinc/12/37/08/599123708.db2.gz MOMZIUZORBXOJA-VIFPVBQESA-N -1 1 374.426 2.165 20 0 FEADMM CC(C)c1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735929003 599135790 /nfs/dbraw/zinc/13/57/90/599135790.db2.gz VKSYIUKOHJZHGK-UHFFFAOYSA-N -1 1 366.381 2.181 20 0 FEADMM CC(C)c1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735929003 599135792 /nfs/dbraw/zinc/13/57/92/599135792.db2.gz VKSYIUKOHJZHGK-UHFFFAOYSA-N -1 1 366.381 2.181 20 0 FEADMM O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738165189 599232032 /nfs/dbraw/zinc/23/20/32/599232032.db2.gz FQGYHFVLWLMQQX-UHFFFAOYSA-N -1 1 350.260 2.255 20 0 FEADMM O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738165189 599232033 /nfs/dbraw/zinc/23/20/33/599232033.db2.gz FQGYHFVLWLMQQX-UHFFFAOYSA-N -1 1 350.260 2.255 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(Cl)c1 ZINC000736020629 599232970 /nfs/dbraw/zinc/23/29/70/599232970.db2.gz RJEYRDTWBJBTOW-SNVBAGLBSA-N -1 1 358.789 2.112 20 0 FEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(Cl)c1 ZINC000736020629 599232972 /nfs/dbraw/zinc/23/29/72/599232972.db2.gz RJEYRDTWBJBTOW-SNVBAGLBSA-N -1 1 358.789 2.112 20 0 FEADMM Cc1c([C@H](C)NCCC(=O)[O-])nnn1-c1cccc(Br)c1 ZINC000818772731 597240224 /nfs/dbraw/zinc/24/02/24/597240224.db2.gz ODDFGWRIHSYFQX-VIFPVBQESA-N -1 1 353.220 2.464 20 0 FEADMM O=C([O-])Cc1ccccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000819611101 597337434 /nfs/dbraw/zinc/33/74/34/597337434.db2.gz XXNQAUNPGFNGIS-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000821058607 598188352 /nfs/dbraw/zinc/18/83/52/598188352.db2.gz XIGRQSRYSBFHNM-QGZVFWFLSA-N -1 1 358.442 2.435 20 0 FEADMM COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865573 598215989 /nfs/dbraw/zinc/21/59/89/598215989.db2.gz SFIHDGZPVAVSGU-ZTFGCOKTSA-N -1 1 373.453 2.089 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ncccc1C ZINC000737437458 598242020 /nfs/dbraw/zinc/24/20/20/598242020.db2.gz ZSGCIXMYGIMZJO-UHFFFAOYSA-N -1 1 363.381 2.192 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ncccc1C ZINC000737437458 598242022 /nfs/dbraw/zinc/24/20/22/598242022.db2.gz ZSGCIXMYGIMZJO-UHFFFAOYSA-N -1 1 363.381 2.192 20 0 FEADMM Clc1ccc(NCc2ccnc(-n3cccn3)c2)nc1-c1nnn[n-]1 ZINC000737572930 598277029 /nfs/dbraw/zinc/27/70/29/598277029.db2.gz BREYHTFEZXNBEX-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2ccnc(-n3cccn3)c2)nc1-c1nn[n-]n1 ZINC000737572930 598277030 /nfs/dbraw/zinc/27/70/30/598277030.db2.gz BREYHTFEZXNBEX-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM CCOC(=O)CCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736592692 598277569 /nfs/dbraw/zinc/27/75/69/598277569.db2.gz SWBYVJJBBZVCQL-UHFFFAOYSA-N -1 1 361.789 2.178 20 0 FEADMM COc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1OCC(F)(F)F ZINC000737106149 598342887 /nfs/dbraw/zinc/34/28/87/598342887.db2.gz NXIOXCQODWSMFF-UHFFFAOYSA-N -1 1 367.291 2.350 20 0 FEADMM COc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1OCC(F)(F)F ZINC000737106149 598342889 /nfs/dbraw/zinc/34/28/89/598342889.db2.gz NXIOXCQODWSMFF-UHFFFAOYSA-N -1 1 367.291 2.350 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(F)cn1 ZINC000737547141 598374664 /nfs/dbraw/zinc/37/46/64/598374664.db2.gz HEVKZKUZFYYPOO-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(F)cn1 ZINC000737547141 598374666 /nfs/dbraw/zinc/37/46/66/598374666.db2.gz HEVKZKUZFYYPOO-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736179782 598404817 /nfs/dbraw/zinc/40/48/17/598404817.db2.gz FRXZLQDFMGKGGD-LURJTMIESA-N -1 1 368.184 2.060 20 0 FEADMM COC(=O)c1ccc(OCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736950389 598580402 /nfs/dbraw/zinc/58/04/02/598580402.db2.gz YMZNJRHPFTXZSS-UHFFFAOYSA-N -1 1 374.788 2.193 20 0 FEADMM COC(=O)c1ccc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736950389 598580404 /nfs/dbraw/zinc/58/04/04/598580404.db2.gz YMZNJRHPFTXZSS-UHFFFAOYSA-N -1 1 374.788 2.193 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1ccccc1 ZINC000738295492 598594650 /nfs/dbraw/zinc/59/46/50/598594650.db2.gz HNWQRGOXOSVRPN-LBPRGKRZSA-N -1 1 355.789 2.133 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1ccccc1 ZINC000738295492 598594652 /nfs/dbraw/zinc/59/46/52/598594652.db2.gz HNWQRGOXOSVRPN-LBPRGKRZSA-N -1 1 355.789 2.133 20 0 FEADMM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737347409 598595628 /nfs/dbraw/zinc/59/56/28/598595628.db2.gz PSKMDMVHKUFVSN-UHFFFAOYSA-N -1 1 358.427 2.174 20 0 FEADMM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737347409 598595629 /nfs/dbraw/zinc/59/56/29/598595629.db2.gz PSKMDMVHKUFVSN-UHFFFAOYSA-N -1 1 358.427 2.174 20 0 FEADMM CCc1nn(CC(=O)c2cccc(Cl)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705644 598641848 /nfs/dbraw/zinc/64/18/48/598641848.db2.gz MNHODNQZNZVLQD-UHFFFAOYSA-N -1 1 372.816 2.085 20 0 FEADMM CCc1nn(CCOc2c(C)cccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705934 598643174 /nfs/dbraw/zinc/64/31/74/598643174.db2.gz CXECPWBBVOQKJB-UHFFFAOYSA-N -1 1 368.441 2.244 20 0 FEADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738386015 598678769 /nfs/dbraw/zinc/67/87/69/598678769.db2.gz KXWGRTGJMKHBER-JTQLQIEISA-N -1 1 352.185 2.109 20 0 FEADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738386015 598678770 /nfs/dbraw/zinc/67/87/70/598678770.db2.gz KXWGRTGJMKHBER-JTQLQIEISA-N -1 1 352.185 2.109 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCC[C@H]1c1ccccc1Br ZINC000631731114 676954125 /nfs/dbraw/zinc/95/41/25/676954125.db2.gz HTBKABGMOPNIRF-LBPRGKRZSA-N -1 1 350.220 2.259 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1 ZINC000808125354 674442771 /nfs/dbraw/zinc/44/27/71/674442771.db2.gz VGWRWVIISMDOGG-UHFFFAOYSA-N -1 1 361.375 2.335 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1 ZINC000808125419 674442777 /nfs/dbraw/zinc/44/27/77/674442777.db2.gz YBVWAWJOGWWBIM-UHFFFAOYSA-N -1 1 363.391 2.183 20 0 FEADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738386653 599306535 /nfs/dbraw/zinc/30/65/35/599306535.db2.gz NGHFUJDKHNPLHN-JTQLQIEISA-N -1 1 352.185 2.109 20 0 FEADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738386653 599306538 /nfs/dbraw/zinc/30/65/38/599306538.db2.gz NGHFUJDKHNPLHN-JTQLQIEISA-N -1 1 352.185 2.109 20 0 FEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(C(F)(F)F)c1 ZINC000819764488 599317692 /nfs/dbraw/zinc/31/76/92/599317692.db2.gz HVBJWDPRYHWGTF-VMPITWQZSA-N -1 1 363.303 2.408 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCCCCC1 ZINC000738355249 599335024 /nfs/dbraw/zinc/33/50/24/599335024.db2.gz LXXDARMFTUDLLP-UHFFFAOYSA-N -1 1 355.851 2.475 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1C1CCCC1 ZINC000823607351 599341115 /nfs/dbraw/zinc/34/11/15/599341115.db2.gz SEWMUQWQHACPAW-CYBMUJFWSA-N -1 1 365.434 2.349 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1C1CCCC1 ZINC000823607351 599341117 /nfs/dbraw/zinc/34/11/17/599341117.db2.gz SEWMUQWQHACPAW-CYBMUJFWSA-N -1 1 365.434 2.349 20 0 FEADMM CC[C@H](C)NC(=O)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000736324022 599412075 /nfs/dbraw/zinc/41/20/75/599412075.db2.gz GHOTUODWOGIYSE-LBPRGKRZSA-N -1 1 351.414 2.402 20 0 FEADMM CC[C@H](C)NC(=O)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000736324022 599412076 /nfs/dbraw/zinc/41/20/76/599412076.db2.gz GHOTUODWOGIYSE-LBPRGKRZSA-N -1 1 351.414 2.402 20 0 FEADMM CCCCCCNC(=O)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000736445444 599421636 /nfs/dbraw/zinc/42/16/36/599421636.db2.gz ANBMOBDBIAABIG-AWEZNQCLSA-N -1 1 357.462 2.175 20 0 FEADMM CCCCCCNC(=O)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000736445444 599421638 /nfs/dbraw/zinc/42/16/38/599421638.db2.gz ANBMOBDBIAABIG-AWEZNQCLSA-N -1 1 357.462 2.175 20 0 FEADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1cccc(C(F)(F)F)c1 ZINC000738380913 599434667 /nfs/dbraw/zinc/43/46/67/599434667.db2.gz DISYGRHRLFQYOS-GFCCVEGCSA-N -1 1 350.304 2.426 20 0 FEADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000738380913 599434668 /nfs/dbraw/zinc/43/46/68/599434668.db2.gz DISYGRHRLFQYOS-GFCCVEGCSA-N -1 1 350.304 2.426 20 0 FEADMM CCCOC(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821128151 599650835 /nfs/dbraw/zinc/65/08/35/599650835.db2.gz QDHZFMVXMGDDQE-LLVKDONJSA-N -1 1 373.369 2.057 20 0 FEADMM CCCOC(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821128151 599650836 /nfs/dbraw/zinc/65/08/36/599650836.db2.gz QDHZFMVXMGDDQE-LLVKDONJSA-N -1 1 373.369 2.057 20 0 FEADMM CC[C@@H]1C[C@H](C)CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820967042 599655745 /nfs/dbraw/zinc/65/57/45/599655745.db2.gz KYLFYLPLZLOBEX-GXFFZTMASA-N -1 1 358.446 2.164 20 0 FEADMM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820972362 599683863 /nfs/dbraw/zinc/68/38/63/599683863.db2.gz NTPAATRTNFGKII-KOLCDFICSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H](C(F)(F)F)O1 ZINC000820804465 599688188 /nfs/dbraw/zinc/68/81/88/599688188.db2.gz SSDHJXNUQQOGKF-CRCLSJGQSA-N -1 1 354.745 2.133 20 0 FEADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820804465 599688189 /nfs/dbraw/zinc/68/81/89/599688189.db2.gz SSDHJXNUQQOGKF-CRCLSJGQSA-N -1 1 354.745 2.133 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN(C)c2ccccc2C1 ZINC000736214745 599774045 /nfs/dbraw/zinc/77/40/45/599774045.db2.gz KRIWHLMELIZJLH-HNNXBMFYSA-N -1 1 367.449 2.342 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Cl)o1 ZINC000547548582 599801973 /nfs/dbraw/zinc/80/19/73/599801973.db2.gz SLPBAHWJSCYOEN-UHFFFAOYSA-N -1 1 359.743 2.219 20 0 FEADMM COc1ccc(-c2noc(CN(C[C@@H](C)C(=O)[O-])C3CC3)n2)c(OC)c1 ZINC000569130994 599949397 /nfs/dbraw/zinc/94/93/97/599949397.db2.gz ZQSOOWHOJPRUFT-LLVKDONJSA-N -1 1 361.398 2.439 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737123326 599956943 /nfs/dbraw/zinc/95/69/43/599956943.db2.gz RYOMJKFTXSSISV-UHFFFAOYSA-N -1 1 360.458 2.157 20 0 FEADMM COC(=O)c1sc(NC(=O)CN2CCC[C@@H]2C2CC2)c(C(=O)[O-])c1C ZINC000737721257 599965413 /nfs/dbraw/zinc/96/54/13/599965413.db2.gz WLAYFILQULPHAS-LLVKDONJSA-N -1 1 366.439 2.354 20 0 FEADMM CC1(C)CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736732325 599994175 /nfs/dbraw/zinc/99/41/75/599994175.db2.gz CVXNBIQWKBRXPI-QGZVFWFLSA-N -1 1 357.454 2.402 20 0 FEADMM CN(CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C(=O)[O-] ZINC000737395475 600046956 /nfs/dbraw/zinc/04/69/56/600046956.db2.gz WINIKNQBCDFGBP-HNNXBMFYSA-N -1 1 353.850 2.421 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1C ZINC000320200825 600053219 /nfs/dbraw/zinc/05/32/19/600053219.db2.gz RLHRUOJIFLWZPT-UHFFFAOYSA-N -1 1 356.425 2.278 20 0 FEADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cn1C ZINC000558042401 674480888 /nfs/dbraw/zinc/48/08/88/674480888.db2.gz OZSIYPRZJKEFRV-UHFFFAOYSA-N -1 1 365.455 2.119 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739255999 600068014 /nfs/dbraw/zinc/06/80/14/600068014.db2.gz NECSTOVSQBBJRA-UHFFFAOYSA-N -1 1 350.378 2.419 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739255999 600068019 /nfs/dbraw/zinc/06/80/19/600068019.db2.gz NECSTOVSQBBJRA-UHFFFAOYSA-N -1 1 350.378 2.419 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000737528936 600073438 /nfs/dbraw/zinc/07/34/38/600073438.db2.gz FFBAAMBZUDHRSI-NEPJUHHUSA-N -1 1 371.359 2.116 20 0 FEADMM O=C([O-])C1(NCC(=O)NCc2ccc(OC(F)F)cc2)CCCCC1 ZINC000739309940 600149853 /nfs/dbraw/zinc/14/98/53/600149853.db2.gz VZJHBBLAZAELFC-UHFFFAOYSA-N -1 1 356.369 2.281 20 0 FEADMM Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C(=O)[O-])[nH]1 ZINC000325946533 600176463 /nfs/dbraw/zinc/17/64/63/600176463.db2.gz CDNZXELOTGXKLC-UHFFFAOYSA-N -1 1 353.356 2.347 20 0 FEADMM COCCN1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C[C@H]1C ZINC000579956112 600213835 /nfs/dbraw/zinc/21/38/35/600213835.db2.gz BIBRRQUOPGICPB-SNVBAGLBSA-N -1 1 364.471 2.163 20 0 FEADMM Cc1[nH]nc(S(=O)(=O)Nc2ccc(C)cc2Br)c1C(=O)[O-] ZINC000738632483 600229281 /nfs/dbraw/zinc/22/92/81/600229281.db2.gz ATVAGUPKCANVFU-UHFFFAOYSA-N -1 1 374.216 2.288 20 0 FEADMM CC(C)OCc1ccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736486573 600302719 /nfs/dbraw/zinc/30/27/19/600302719.db2.gz ZPAMWWFYCHBHRH-SFHVURJKSA-N -1 1 374.481 2.415 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736123339 600483308 /nfs/dbraw/zinc/48/33/08/600483308.db2.gz HZTTWOWWQKVZCA-UHFFFAOYSA-N -1 1 354.409 2.230 20 0 FEADMM CCc1[nH]ncc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000737247679 600496572 /nfs/dbraw/zinc/49/65/72/600496572.db2.gz OKLAVKJZLLVTPS-MRXNPFEDSA-N -1 1 370.409 2.304 20 0 FEADMM C[C@@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])N(C)Cc1ccccc1 ZINC000736209225 600667888 /nfs/dbraw/zinc/66/78/88/600667888.db2.gz QVTKDSGYKJFRJI-MAUKXSAKSA-N -1 1 370.449 2.272 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000831434735 600688244 /nfs/dbraw/zinc/68/82/44/600688244.db2.gz AIDLRNHLPDVMFA-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM CN(Cc1c2ccccc2sc1C(=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000737454401 600719823 /nfs/dbraw/zinc/71/98/23/600719823.db2.gz PAFBRXHTDVXLKJ-NSHDSACASA-N -1 1 353.465 2.466 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1(C)C ZINC000737157900 600741906 /nfs/dbraw/zinc/74/19/06/600741906.db2.gz OTGHIVYFSMVOGA-RCCFBDPRSA-N -1 1 374.481 2.160 20 0 FEADMM CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829770292 600745204 /nfs/dbraw/zinc/74/52/04/600745204.db2.gz GZNSFGZHEFJZCL-CYBMUJFWSA-N -1 1 360.863 2.191 20 0 FEADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829770292 600745205 /nfs/dbraw/zinc/74/52/05/600745205.db2.gz GZNSFGZHEFJZCL-CYBMUJFWSA-N -1 1 360.863 2.191 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)Cc3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC000832959215 600792050 /nfs/dbraw/zinc/79/20/50/600792050.db2.gz RNXANLWWVDZYSD-UHFFFAOYSA-N -1 1 359.407 2.189 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)Cc3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000832959200 600792113 /nfs/dbraw/zinc/79/21/13/600792113.db2.gz QXGOSNXOLIBZIW-UHFFFAOYSA-N -1 1 359.407 2.189 20 0 FEADMM CC[C@@](C)(NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(F)(F)F ZINC000825042912 607469289 /nfs/dbraw/zinc/46/92/89/607469289.db2.gz BYJIVRQZRFQPMR-CYBMUJFWSA-N -1 1 360.340 2.336 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000737685694 600976866 /nfs/dbraw/zinc/97/68/66/600976866.db2.gz NNCQPEKZXUPHBZ-HONMWMINSA-N -1 1 360.410 2.086 20 0 FEADMM CC(C)[C@H]1CN(C)CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000826741632 601010907 /nfs/dbraw/zinc/01/09/07/601010907.db2.gz JWPWSIAAFILQAU-CYBMUJFWSA-N -1 1 365.499 2.146 20 0 FEADMM Cc1sc(NC(=O)CN2CCN(C)C[C@H]2C(C)C)c(C(=O)[O-])c1C ZINC000833033459 601012144 /nfs/dbraw/zinc/01/21/44/601012144.db2.gz ARYHOUQGXZNEEV-ZDUSSCGKSA-N -1 1 353.488 2.274 20 0 FEADMM Cc1nc2ccccc2c(C)c1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000833006320 601088884 /nfs/dbraw/zinc/08/88/84/601088884.db2.gz OWYGRCLHXBNLBX-AWEZNQCLSA-N -1 1 369.465 2.402 20 0 FEADMM Cc1c(Cl)cccc1OCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224824 601090488 /nfs/dbraw/zinc/09/04/88/601090488.db2.gz PHXBSFRXSNBYLZ-LBPRGKRZSA-N -1 1 354.834 2.035 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCSc2ccccc2F)CC1 ZINC000630224576 601092495 /nfs/dbraw/zinc/09/24/95/601092495.db2.gz QMBHEYCELSNHGS-CYBMUJFWSA-N -1 1 354.447 2.315 20 0 FEADMM CCOc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1OCC ZINC000630223679 601095785 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370.453 2.110 20 0 FEADMM CN(CCNC(=O)c1cccc(OCC(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000659759140 601147234 /nfs/dbraw/zinc/14/72/34/601147234.db2.gz BIMVEHJLSXXWKK-UHFFFAOYSA-N -1 1 360.385 2.151 20 0 FEADMM COc1ccc(CCC(=O)N2CCCN(C/C=C(/C)C(=O)[O-])CC2)cc1 ZINC000832293008 601161651 /nfs/dbraw/zinc/16/16/51/601161651.db2.gz VMQNTHHCDQJFPV-YBEGLDIGSA-N -1 1 360.454 2.193 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OCC(F)F)cc2)CC1 ZINC000827369252 601193944 /nfs/dbraw/zinc/19/39/44/601193944.db2.gz SBOPFIQPJWCYJZ-GFCCVEGCSA-N -1 1 371.384 2.343 20 0 FEADMM CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1 ZINC000316616085 601235332 /nfs/dbraw/zinc/23/53/32/601235332.db2.gz AWCUVNSCENISFY-MRVPVSSYSA-N -1 1 367.254 2.016 20 0 FEADMM COCc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000831822264 601383750 /nfs/dbraw/zinc/38/37/50/601383750.db2.gz ZVWKZIPIDZNKQN-UHFFFAOYSA-N -1 1 356.787 2.380 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000830140692 601385884 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C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1C(=O)[O-] ZINC000828442204 601534216 /nfs/dbraw/zinc/53/42/16/601534216.db2.gz YHNMBQQAPUEMOY-TZMCWYRMSA-N -1 1 360.410 2.319 20 0 FEADMM CCn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC000830412276 601568403 /nfs/dbraw/zinc/56/84/03/601568403.db2.gz NHYJBZDZVLTOJB-INIZCTEOSA-N -1 1 358.442 2.126 20 0 FEADMM CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000829658402 601602688 /nfs/dbraw/zinc/60/26/88/601602688.db2.gz FVKSUGODPACFMS-INIZCTEOSA-N -1 1 363.458 2.196 20 0 FEADMM Cc1cc(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)[nH]n1 ZINC000832884098 601681818 /nfs/dbraw/zinc/68/18/18/601681818.db2.gz WFTYPZMJYPHWIG-OAHLLOKOSA-N -1 1 366.215 2.139 20 0 FEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CCN1C ZINC000828169708 601841550 /nfs/dbraw/zinc/84/15/50/601841550.db2.gz VQHJZTBMYQOQMW-QWRGUYRKSA-N -1 1 360.863 2.141 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000662217707 601845503 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FEADMM CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000809393714 674493068 /nfs/dbraw/zinc/49/30/68/674493068.db2.gz VDGGNVJPMYDIAR-SECBINFHSA-N -1 1 367.826 2.095 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739053664 601939457 /nfs/dbraw/zinc/93/94/57/601939457.db2.gz NALSTCUJZIGCHZ-OLZOCXBDSA-N -1 1 353.850 2.449 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738628900 601951880 /nfs/dbraw/zinc/95/18/80/601951880.db2.gz FFSPPFSZCRXWSA-QWRGUYRKSA-N -1 1 370.247 2.366 20 0 FEADMM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000740452402 601953183 /nfs/dbraw/zinc/95/31/83/601953183.db2.gz CFSUFNOJZWDLTH-ZNMIVQPWSA-N -1 1 369.425 2.399 20 0 FEADMM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000740452402 601953188 /nfs/dbraw/zinc/95/31/88/601953188.db2.gz CFSUFNOJZWDLTH-ZNMIVQPWSA-N -1 1 369.425 2.399 20 0 FEADMM O=C([O-])N1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000740418633 602007928 /nfs/dbraw/zinc/00/79/28/602007928.db2.gz WMMIYQRAXARLLG-CABCVRRESA-N -1 1 364.446 2.106 20 0 FEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000828487265 602018688 /nfs/dbraw/zinc/01/86/88/602018688.db2.gz OMZJFPIHJSJFFL-BBRMVZONSA-N -1 1 368.437 2.265 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000827369269 602025067 /nfs/dbraw/zinc/02/50/67/602025067.db2.gz SWBHSEWUEPTAHS-ZDUSSCGKSA-N -1 1 353.394 2.048 20 0 FEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000740644064 602045327 /nfs/dbraw/zinc/04/53/27/602045327.db2.gz WWEZVYDTSLRYNX-KRWDZBQOSA-N -1 1 371.437 2.398 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1nc2cc(Cl)ccc2s1 ZINC000558436851 674495841 /nfs/dbraw/zinc/49/58/41/674495841.db2.gz UJLPLJLHDXOJQG-UHFFFAOYSA-N -1 1 372.859 2.349 20 0 FEADMM CCNC(=O)c1ccc(Cl)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825476550 607548671 /nfs/dbraw/zinc/54/86/71/607548671.db2.gz NEQQHVMXTIFSOO-UHFFFAOYSA-N -1 1 357.805 2.277 20 0 FEADMM CCNC(=O)c1ccc(Cl)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825476550 607548672 /nfs/dbraw/zinc/54/86/72/607548672.db2.gz NEQQHVMXTIFSOO-UHFFFAOYSA-N -1 1 357.805 2.277 20 0 FEADMM COC(=O)c1c(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)sc2c1CCC2 ZINC000831230492 602227056 /nfs/dbraw/zinc/22/70/56/602227056.db2.gz DNEDDTFVZFHDNA-CYBMUJFWSA-N -1 1 368.455 2.051 20 0 FEADMM C[C@@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C[C@@H]1n1ccnc1 ZINC000828284059 602255503 /nfs/dbraw/zinc/25/55/03/602255503.db2.gz BCXAECLTAMCFSZ-YUELXQCFSA-N -1 1 374.466 2.331 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)OC ZINC000558480362 674499120 /nfs/dbraw/zinc/49/91/20/674499120.db2.gz GKTFCEYVRISAFB-SSDOTTSWSA-N -1 1 358.204 2.431 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)N1CCCC1 ZINC000738121046 602341238 /nfs/dbraw/zinc/34/12/38/602341238.db2.gz PDFRDPFGEPVOLX-RDJZCZTQSA-N -1 1 363.458 2.241 20 0 FEADMM Cc1ccnc(NC[C@@H]2CCN(Cc3nc(C(C)(C)NC(=O)[O-])no3)C2)c1 ZINC000740195175 602380657 /nfs/dbraw/zinc/38/06/57/602380657.db2.gz LOWMHRTZUNJKMD-ZDUSSCGKSA-N -1 1 374.445 2.210 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000827369259 602383126 /nfs/dbraw/zinc/38/31/26/602383126.db2.gz SNEBFOXTJNOVDZ-ZDUSSCGKSA-N -1 1 361.442 2.413 20 0 FEADMM C[C@@H](NC(=O)CN1CCC(CN(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738960971 602386398 /nfs/dbraw/zinc/38/63/98/602386398.db2.gz JVHXBWQRSFSTRE-CYBMUJFWSA-N -1 1 351.422 2.325 20 0 FEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739055172 602451041 /nfs/dbraw/zinc/45/10/41/602451041.db2.gz FOQMIWWRDFHJCQ-KGLIPLIRSA-N -1 1 354.472 2.473 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CC2)c1 ZINC000739983295 602488735 /nfs/dbraw/zinc/48/87/35/602488735.db2.gz GXVAILRLTFMSRE-UHFFFAOYSA-N -1 1 374.372 2.282 20 0 FEADMM C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738635921 602530434 /nfs/dbraw/zinc/53/04/34/602530434.db2.gz CBPZRSYDNOHXSI-KGLIPLIRSA-N -1 1 356.426 2.494 20 0 FEADMM Cc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740170104 602551009 /nfs/dbraw/zinc/55/10/09/602551009.db2.gz LUPRPJMBRPINSZ-MSOLQXFVSA-N -1 1 359.470 2.466 20 0 FEADMM Brc1c(CNC2(c3nn[n-]n3)CCCC2)nc2ccccn21 ZINC000809632582 674502131 /nfs/dbraw/zinc/50/21/31/674502131.db2.gz SSBHXBOMYCYHKJ-UHFFFAOYSA-N -1 1 362.235 2.169 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1cccc(F)c1 ZINC000737949529 602561934 /nfs/dbraw/zinc/56/19/34/602561934.db2.gz BEEQAQDNOLLVGB-INIZCTEOSA-N -1 1 366.437 2.212 20 0 FEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000740692055 602563709 /nfs/dbraw/zinc/56/37/09/602563709.db2.gz RSVRJZFGIQFVQW-SJORKVTESA-N -1 1 371.437 2.412 20 0 FEADMM O=S(=O)(NCc1ccccc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491863 607574056 /nfs/dbraw/zinc/57/40/56/607574056.db2.gz HDHLXGPGJZFNAM-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM CCCN(CC1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825307555 607575152 /nfs/dbraw/zinc/57/51/52/607575152.db2.gz DZMITACZRIVQGZ-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CN(C(=O)NCC1(NC(=O)[O-])CCCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000739575929 602617871 /nfs/dbraw/zinc/61/78/71/602617871.db2.gz MAVYNZXUDOZLKL-OAHLLOKOSA-N -1 1 352.479 2.225 20 0 FEADMM Cc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305740 607577381 /nfs/dbraw/zinc/57/73/81/607577381.db2.gz HITCNFGTUQBWLL-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM Cc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305740 607577383 /nfs/dbraw/zinc/57/73/83/607577383.db2.gz HITCNFGTUQBWLL-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825443249 607578426 /nfs/dbraw/zinc/57/84/26/607578426.db2.gz AWBQYZOIQRPIOK-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826307269 607579301 /nfs/dbraw/zinc/57/93/01/607579301.db2.gz AYZPVVBDFZKSTA-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000738963355 602770376 /nfs/dbraw/zinc/77/03/76/602770376.db2.gz XDBUVMOEJSSTGJ-TYNCELHUSA-N -1 1 353.850 2.495 20 0 FEADMM C[C@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739176687 602793160 /nfs/dbraw/zinc/79/31/60/602793160.db2.gz UXDYXNAJMMICHA-QFBILLFUSA-N -1 1 373.497 2.446 20 0 FEADMM CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825195899 607586943 /nfs/dbraw/zinc/58/69/43/607586943.db2.gz ZNBDADFZVMKGGT-GXFFZTMASA-N -1 1 353.423 2.253 20 0 FEADMM C[C@@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C[C@H](C)N1C(=O)[O-] ZINC000739135158 602807161 /nfs/dbraw/zinc/80/71/61/602807161.db2.gz BNLRGLXHLZJOFQ-BETUJISGSA-N -1 1 366.437 2.170 20 0 FEADMM O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(Br)cc1[O-] ZINC000558722124 674513021 /nfs/dbraw/zinc/51/30/21/674513021.db2.gz YXOHRDJPPFFMNM-NEPJUHHUSA-N -1 1 353.216 2.038 20 0 FEADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN(C4CCC4)CC3)cc2C1 ZINC000740529051 602954990 /nfs/dbraw/zinc/95/49/90/602954990.db2.gz GXLCPEBSTKIXDG-UHFFFAOYSA-N -1 1 358.442 2.425 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739768884 602998714 /nfs/dbraw/zinc/99/87/14/602998714.db2.gz UZRLYUZWQSTXPY-UHFFFAOYSA-N -1 1 364.379 2.293 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(-c2nc([C@H](C)CN(C)C(=O)[O-])no2)[nH]n1 ZINC000740243849 603011773 /nfs/dbraw/zinc/01/17/73/603011773.db2.gz QCKOJGUFSWPMDC-MRVPVSSYSA-N -1 1 359.390 2.190 20 0 FEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739606896 603027330 /nfs/dbraw/zinc/02/73/30/603027330.db2.gz HHPYNAJEDKXKNC-ROUUACIJSA-N -1 1 355.438 2.284 20 0 FEADMM O=S(=O)(Oc1cc(F)cc(F)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493713 607604359 /nfs/dbraw/zinc/60/43/59/607604359.db2.gz YTWITEOJUDFJPP-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cc(F)cc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493713 607604360 /nfs/dbraw/zinc/60/43/60/607604360.db2.gz YTWITEOJUDFJPP-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM COc1ccc(Cl)cc1NCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826208542 607607937 /nfs/dbraw/zinc/60/79/37/607607937.db2.gz POWCYZMNVSUBMD-UHFFFAOYSA-N -1 1 374.788 2.079 20 0 FEADMM COc1ccc(Cl)cc1NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826208542 607607939 /nfs/dbraw/zinc/60/79/39/607607939.db2.gz POWCYZMNVSUBMD-UHFFFAOYSA-N -1 1 374.788 2.079 20 0 FEADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000824641202 607614979 /nfs/dbraw/zinc/61/49/79/607614979.db2.gz TWECQXGXVLHXME-VIFPVBQESA-N -1 1 355.851 2.377 20 0 FEADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000824641202 607614981 /nfs/dbraw/zinc/61/49/81/607614981.db2.gz TWECQXGXVLHXME-VIFPVBQESA-N -1 1 355.851 2.377 20 0 FEADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740049751 603234387 /nfs/dbraw/zinc/23/43/87/603234387.db2.gz QFIFAOCDMXPDRV-HNNXBMFYSA-N -1 1 363.483 2.482 20 0 FEADMM NS(=O)(=O)c1ccc(CCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000809987332 674524069 /nfs/dbraw/zinc/52/40/69/674524069.db2.gz YEWSKDGGQAKIDJ-UHFFFAOYSA-N -1 1 361.395 2.102 20 0 FEADMM C[C@H]1CN(CCCNC(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@H](C)O1 ZINC000739184093 603328216 /nfs/dbraw/zinc/32/82/16/603328216.db2.gz UOHZSMPYWSLSAW-KBPBESRZSA-N -1 1 364.446 2.075 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)C[C@@H](C)NC(=O)[O-])N1CCCCC1 ZINC000829593419 603369595 /nfs/dbraw/zinc/36/95/95/603369595.db2.gz ZSLXSCJITMFQTK-GDBMZVCRSA-N -1 1 363.458 2.385 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1cccs1 ZINC000828138304 603517512 /nfs/dbraw/zinc/51/75/12/603517512.db2.gz YPSVSIBXXWKCNV-LBPRGKRZSA-N -1 1 356.492 2.286 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1ccc(F)cc1 ZINC000828137971 603532003 /nfs/dbraw/zinc/53/20/03/603532003.db2.gz PICICLSGVUJAKD-HNNXBMFYSA-N -1 1 368.453 2.364 20 0 FEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000832512587 603556742 /nfs/dbraw/zinc/55/67/42/603556742.db2.gz GBXSBMBHNQAVRJ-SWLSCSKDSA-N -1 1 358.402 2.215 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000827851745 603612483 /nfs/dbraw/zinc/61/24/83/603612483.db2.gz MEPMRESNUJVLOG-HUUCEWRRSA-N -1 1 364.446 2.200 20 0 FEADMM Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830909644 603735250 /nfs/dbraw/zinc/73/52/50/603735250.db2.gz RQDKXEYWLCKNKV-UHFFFAOYSA-N -1 1 370.369 2.025 20 0 FEADMM Cc1noc(C)c1CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830909644 603735252 /nfs/dbraw/zinc/73/52/52/603735252.db2.gz RQDKXEYWLCKNKV-UHFFFAOYSA-N -1 1 370.369 2.025 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)n1 ZINC000832730513 603736656 /nfs/dbraw/zinc/73/66/56/603736656.db2.gz SMQGELPMVWTLRV-UHFFFAOYSA-N -1 1 370.394 2.175 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)n[nH]1 ZINC000832730513 603736659 /nfs/dbraw/zinc/73/66/59/603736659.db2.gz SMQGELPMVWTLRV-UHFFFAOYSA-N -1 1 370.394 2.175 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)N2CCCC2)o1 ZINC000830262170 603741992 /nfs/dbraw/zinc/74/19/92/603741992.db2.gz JDZPENRRRQTSMG-ZFWWWQNUSA-N -1 1 364.446 2.119 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488408 607649257 /nfs/dbraw/zinc/64/92/57/607649257.db2.gz PBLOAFXBONOWLS-DMDPSCGWSA-N -1 1 365.434 2.253 20 0 FEADMM C[C@@H](NC(=O)[O-])C(=O)OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000825193218 603915176 /nfs/dbraw/zinc/91/51/76/603915176.db2.gz HHDWNQGBUUKYME-VXGBXAGGSA-N -1 1 356.369 2.376 20 0 FEADMM C[C@H](CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)NC(=O)[O-] ZINC000824793502 604045423 /nfs/dbraw/zinc/04/54/23/604045423.db2.gz LHCMXBUATOCQFR-BXUZGUMPSA-N -1 1 356.854 2.288 20 0 FEADMM CN(CCNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000828321373 604066640 /nfs/dbraw/zinc/06/66/40/604066640.db2.gz OULZMGVTVNWOQN-GDBMZVCRSA-N -1 1 351.422 2.200 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1)c1ccco1 ZINC000827034638 604072691 /nfs/dbraw/zinc/07/26/91/604072691.db2.gz CNUZMWBKMBARSD-UONOGXRCSA-N -1 1 352.435 2.056 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1)c1ccco1 ZINC000827034636 604072751 /nfs/dbraw/zinc/07/27/51/604072751.db2.gz CNUZMWBKMBARSD-KBPBESRZSA-N -1 1 352.435 2.056 20 0 FEADMM COC(=O)CCN(Cc1cccc(F)c1F)C[C@H]1CCN(C(=O)[O-])C1 ZINC000828670833 604111795 /nfs/dbraw/zinc/11/17/95/604111795.db2.gz KWBGGPBWFYAZEP-GFCCVEGCSA-N -1 1 356.369 2.330 20 0 FEADMM CC(C)[C@H](CCN(C)C(=O)Nc1cnn(-c2ccncc2)c1)NC(=O)[O-] ZINC000824093141 604147445 /nfs/dbraw/zinc/14/74/45/604147445.db2.gz ZVKGSESDXKOHNI-HNNXBMFYSA-N -1 1 360.418 2.413 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)C1(NC(=O)[O-])CC1)N1CCCCC1 ZINC000829592168 604435165 /nfs/dbraw/zinc/43/51/65/604435165.db2.gz NCSBJLNXNRGPMN-OAHLLOKOSA-N -1 1 361.442 2.139 20 0 FEADMM O=C([O-])C[C@H]1CCCN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000833211016 604488165 /nfs/dbraw/zinc/48/81/65/604488165.db2.gz QFEABERVYHLVFJ-QGZVFWFLSA-N -1 1 363.433 2.439 20 0 FEADMM CCCc1c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)[nH]c(C)c1C(=O)[O-] ZINC000829562725 604644677 /nfs/dbraw/zinc/64/46/77/604644677.db2.gz SIIGBRQXTHHDTA-UHFFFAOYSA-N -1 1 356.386 2.350 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCCC[C@@H]2CC(=O)[O-])n[nH]1 ZINC000650507301 604669964 /nfs/dbraw/zinc/66/99/64/604669964.db2.gz PXQLUQVCXYRUPT-CQSZACIVSA-N -1 1 371.441 2.356 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000833626017 604721331 /nfs/dbraw/zinc/72/13/31/604721331.db2.gz NXQHYRMSMWPZHH-JZXOWHBKSA-N -1 1 374.481 2.418 20 0 FEADMM COc1cc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c(OC)cc1Cl ZINC000832017341 604740295 /nfs/dbraw/zinc/74/02/95/604740295.db2.gz RKYPSMBYZPXDAA-SNVBAGLBSA-N -1 1 370.833 2.481 20 0 FEADMM C[C@@H](C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C1CC1)C(=O)[O-] ZINC000827449150 604744850 /nfs/dbraw/zinc/74/48/50/604744850.db2.gz HOAWGJQDGXWDML-ZDUSSCGKSA-N -1 1 355.438 2.238 20 0 FEADMM C/C(=C/CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N)C(=O)[O-] ZINC000825793270 604756968 /nfs/dbraw/zinc/75/69/68/604756968.db2.gz PWZYZBJVTJZRMG-YFHOEESVSA-N -1 1 356.411 2.172 20 0 FEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833542561 604898091 /nfs/dbraw/zinc/89/80/91/604898091.db2.gz KMMHVYGKMNOKTF-SKDRFNHKSA-N -1 1 371.315 2.008 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833549920 604941035 /nfs/dbraw/zinc/94/10/35/604941035.db2.gz INEJCYOCJGLSKM-ZDUSSCGKSA-N -1 1 354.410 2.130 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833489305 605019674 /nfs/dbraw/zinc/01/96/74/605019674.db2.gz YHYQSRPOXIJOPU-UHFFFAOYSA-N -1 1 354.472 2.126 20 0 FEADMM Cc1ccc(C[C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)s1 ZINC000833748376 605053622 /nfs/dbraw/zinc/05/36/22/605053622.db2.gz JXMBUTWWTPTZKI-QWHCGFSZSA-N -1 1 353.488 2.178 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000833622289 605099474 /nfs/dbraw/zinc/09/94/74/605099474.db2.gz AKLBDUBDMVDOHC-SNVBAGLBSA-N -1 1 362.323 2.466 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Br)c1 ZINC000833627303 605104215 /nfs/dbraw/zinc/10/42/15/605104215.db2.gz WVXXHXVVOVUNCT-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000833622372 605109213 /nfs/dbraw/zinc/10/92/13/605109213.db2.gz PECDEFARANQYFJ-FRRDWIJNSA-N -1 1 350.381 2.363 20 0 FEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1F ZINC000833514180 605111049 /nfs/dbraw/zinc/11/10/49/605111049.db2.gz PRYDMQXEBOEIGB-OLZOCXBDSA-N -1 1 354.397 2.466 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000833628391 605193842 /nfs/dbraw/zinc/19/38/42/605193842.db2.gz HKGGRPAEQUDBJZ-QMMMGPOBSA-N -1 1 352.303 2.363 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc(Cl)c1Cl ZINC000833628124 605199181 /nfs/dbraw/zinc/19/91/81/605199181.db2.gz BMQYPVVFYUNLCX-LLVKDONJSA-N -1 1 374.268 2.413 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833611058 605202240 /nfs/dbraw/zinc/20/22/40/605202240.db2.gz MFOGYTVFXRWBKO-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H]1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCN1CCC(=O)[O-] ZINC000833622143 605252277 /nfs/dbraw/zinc/25/22/77/605252277.db2.gz MRMGNDNEGNIHET-CYBMUJFWSA-N -1 1 363.845 2.302 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CCN1CCC(=O)[O-] ZINC000833622871 605258438 /nfs/dbraw/zinc/25/84/38/605258438.db2.gz OPEGRVXAVBIAEL-CYBMUJFWSA-N -1 1 362.474 2.137 20 0 FEADMM COC[C@](C)(CC(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000833721708 605266566 /nfs/dbraw/zinc/26/65/66/605266566.db2.gz FHIMHMINCITSHB-HNNXBMFYSA-N -1 1 356.785 2.029 20 0 FEADMM C[C@H]1CN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CCN1CCC(=O)[O-] ZINC000833618633 605276607 /nfs/dbraw/zinc/27/66/07/605276607.db2.gz PTUQEULOFBGGDP-GFUIURDCSA-N -1 1 365.499 2.461 20 0 FEADMM O=C([O-])N[C@H]1CCc2ncc(NC(=O)c3cccc4cn[nH]c43)cc2C1 ZINC000834193309 605329961 /nfs/dbraw/zinc/32/99/61/605329961.db2.gz JQRJZEXJLLQGPX-LBPRGKRZSA-N -1 1 351.366 2.335 20 0 FEADMM CC1=C(C(=O)[O-])C[C@H](CN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)O1 ZINC000833576508 605362188 /nfs/dbraw/zinc/36/21/88/605362188.db2.gz CBEHITNMEFJLSZ-WBMJQRKESA-N -1 1 372.343 2.143 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc(F)nc3)cc2)n1 ZINC000832729929 605439351 /nfs/dbraw/zinc/43/93/51/605439351.db2.gz LFZHBGLDLZHNIP-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc(F)nc3)cc2)n[nH]1 ZINC000832729929 605439354 /nfs/dbraw/zinc/43/93/54/605439354.db2.gz LFZHBGLDLZHNIP-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C(F)(F)C(F)F)cc2)n1 ZINC000832729659 605439923 /nfs/dbraw/zinc/43/99/23/605439923.db2.gz HTGQOISBCYNMLO-UHFFFAOYSA-N -1 1 361.255 2.078 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C(F)(F)C(F)F)cc2)n[nH]1 ZINC000832729659 605439924 /nfs/dbraw/zinc/43/99/24/605439924.db2.gz HTGQOISBCYNMLO-UHFFFAOYSA-N -1 1 361.255 2.078 20 0 FEADMM O=C([O-])N[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000834182867 605492689 /nfs/dbraw/zinc/49/26/89/605492689.db2.gz NZOADUORQMJJLG-CQSZACIVSA-N -1 1 358.398 2.080 20 0 FEADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000834026864 605515226 /nfs/dbraw/zinc/51/52/26/605515226.db2.gz NPZNUMMHIPZFLR-WMLDXEAASA-N -1 1 363.433 2.296 20 0 FEADMM N=C(NOCc1csc(C2CCCC2)n1)[C@@H]1COCCN1C(=O)[O-] ZINC000833978949 605731522 /nfs/dbraw/zinc/73/15/22/605731522.db2.gz BGYYDPXKCVHVAJ-LBPRGKRZSA-N -1 1 354.432 2.178 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@@H]3C)n[nH]2)c1 ZINC000829531346 605748732 /nfs/dbraw/zinc/74/87/32/605748732.db2.gz IGDSMMOTAGWRLE-AAEUAGOBSA-N -1 1 358.398 2.346 20 0 FEADMM O=C([O-])N1CCOC[C@@H]1[C@H]1CCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000834121321 605834539 /nfs/dbraw/zinc/83/45/39/605834539.db2.gz XSLAPRQVQNPUJS-YESZJQIVSA-N -1 1 357.414 2.227 20 0 FEADMM O=C([O-])N1CCC2(CCN(CN3C(=O)OC[C@@H]3Cc3ccccc3)C2)CC1 ZINC000834091617 605862626 /nfs/dbraw/zinc/86/26/26/605862626.db2.gz FWAJMDJVDSJMMD-KRWDZBQOSA-N -1 1 373.453 2.473 20 0 FEADMM O=C([O-])N1CCN(c2ccc(NCc3ccc4nc[nH]c4c3)nc2)CC1 ZINC000832041908 605864480 /nfs/dbraw/zinc/86/44/80/605864480.db2.gz FSYMRPHESYTIGN-UHFFFAOYSA-N -1 1 352.398 2.370 20 0 FEADMM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170787 605997259 /nfs/dbraw/zinc/99/72/59/605997259.db2.gz QMMUDNUYXJVPKE-UKRRQHHQSA-N -1 1 361.442 2.018 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000834160280 606016387 /nfs/dbraw/zinc/01/63/87/606016387.db2.gz CCSLRMAVFFBEKR-YKDOHLLJSA-N -1 1 364.490 2.081 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000834160280 606016391 /nfs/dbraw/zinc/01/63/91/606016391.db2.gz CCSLRMAVFFBEKR-YKDOHLLJSA-N -1 1 364.490 2.081 20 0 FEADMM O=C([O-])Nc1cnc(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000834277737 606020145 /nfs/dbraw/zinc/02/01/45/606020145.db2.gz GUQNTCDXTVKCOV-CQSZACIVSA-N -1 1 356.382 2.388 20 0 FEADMM O=C([O-])Nc1cnc(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000834277737 606020149 /nfs/dbraw/zinc/02/01/49/606020149.db2.gz GUQNTCDXTVKCOV-CQSZACIVSA-N -1 1 356.382 2.388 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)[C@H]1CCCOC1 ZINC000559070990 674526938 /nfs/dbraw/zinc/52/69/38/674526938.db2.gz HGTQJRXWMRETOE-DOTOQJQBSA-N -1 1 369.483 2.081 20 0 FEADMM O=C(CCOC1CN(C(=O)[O-])C1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000833993031 606082516 /nfs/dbraw/zinc/08/25/16/606082516.db2.gz KFTCRAMSBGIZBE-OAHLLOKOSA-N -1 1 374.397 2.122 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834166127 606094747 /nfs/dbraw/zinc/09/47/47/606094747.db2.gz CZAUEPFNEBRDKK-BFHYXJOUSA-N -1 1 361.446 2.215 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000822005591 606120453 /nfs/dbraw/zinc/12/04/53/606120453.db2.gz SQISZGHDIHIOKF-KBPBESRZSA-N -1 1 370.457 2.165 20 0 FEADMM COC(=O)c1sccc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810072801 674529664 /nfs/dbraw/zinc/52/96/64/674529664.db2.gz OVFGLLYTFHJFON-JTQLQIEISA-N -1 1 364.389 2.425 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820979371 606132542 /nfs/dbraw/zinc/13/25/42/606132542.db2.gz HEWDCHSSBKSDLX-GHMZBOCLSA-N -1 1 363.443 2.265 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820979371 606132543 /nfs/dbraw/zinc/13/25/43/606132543.db2.gz HEWDCHSSBKSDLX-GHMZBOCLSA-N -1 1 363.443 2.265 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc(F)c1 ZINC000820512583 606133597 /nfs/dbraw/zinc/13/35/97/606133597.db2.gz MGKJZWCYAFVECE-QMMMGPOBSA-N -1 1 361.358 2.251 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccc(F)c1 ZINC000820512583 606133598 /nfs/dbraw/zinc/13/35/98/606133598.db2.gz MGKJZWCYAFVECE-QMMMGPOBSA-N -1 1 361.358 2.251 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)Cc1ccccc1 ZINC000820508789 606137316 /nfs/dbraw/zinc/13/73/16/606137316.db2.gz XREWYAZWIDNJLZ-NSHDSACASA-N -1 1 371.422 2.132 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)Cc1ccccc1 ZINC000820508789 606137317 /nfs/dbraw/zinc/13/73/17/606137317.db2.gz XREWYAZWIDNJLZ-NSHDSACASA-N -1 1 371.422 2.132 20 0 FEADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccccc1 ZINC000820939798 606138889 /nfs/dbraw/zinc/13/88/89/606138889.db2.gz YOGCFYHFPRNBOA-GFCCVEGCSA-N -1 1 371.422 2.180 20 0 FEADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccccc1 ZINC000820939798 606138895 /nfs/dbraw/zinc/13/88/95/606138895.db2.gz YOGCFYHFPRNBOA-GFCCVEGCSA-N -1 1 371.422 2.180 20 0 FEADMM C[C@@H]1c2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820826261 606144704 /nfs/dbraw/zinc/14/47/04/606144704.db2.gz LRCHDYHRTFXMIM-SNVBAGLBSA-N -1 1 359.386 2.271 20 0 FEADMM C[C@@H]1c2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820826261 606144706 /nfs/dbraw/zinc/14/47/06/606144706.db2.gz LRCHDYHRTFXMIM-SNVBAGLBSA-N -1 1 359.386 2.271 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(C(C)(C)C)cc2)n1 ZINC000822620613 606160314 /nfs/dbraw/zinc/16/03/14/606160314.db2.gz ZBEORBKLXRMDGK-UHFFFAOYSA-N -1 1 368.445 2.262 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(C(C)(C)C)cc2)n1 ZINC000822620613 606160316 /nfs/dbraw/zinc/16/03/16/606160316.db2.gz ZBEORBKLXRMDGK-UHFFFAOYSA-N -1 1 368.445 2.262 20 0 FEADMM CN(CCCCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821599231 606166972 /nfs/dbraw/zinc/16/69/72/606166972.db2.gz LERGQANSYOCRAI-UHFFFAOYSA-N -1 1 354.418 2.087 20 0 FEADMM CN(CCCCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821599231 606166974 /nfs/dbraw/zinc/16/69/74/606166974.db2.gz LERGQANSYOCRAI-UHFFFAOYSA-N -1 1 354.418 2.087 20 0 FEADMM Cc1ccc([C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822229233 606167031 /nfs/dbraw/zinc/16/70/31/606167031.db2.gz PRFUYUMCRUTUAC-GFCCVEGCSA-N -1 1 354.418 2.442 20 0 FEADMM Cc1ccc([C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)c1 ZINC000822229233 606167032 /nfs/dbraw/zinc/16/70/32/606167032.db2.gz PRFUYUMCRUTUAC-GFCCVEGCSA-N -1 1 354.418 2.442 20 0 FEADMM CCCN(Cc1ccc(OC)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821109202 606170907 /nfs/dbraw/zinc/17/09/07/606170907.db2.gz CLBCCTVWYPCOAG-UHFFFAOYSA-N -1 1 370.417 2.053 20 0 FEADMM CCCN(Cc1ccc(OC)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821109202 606170908 /nfs/dbraw/zinc/17/09/08/606170908.db2.gz CLBCCTVWYPCOAG-UHFFFAOYSA-N -1 1 370.417 2.053 20 0 FEADMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820021158 606171943 /nfs/dbraw/zinc/17/19/43/606171943.db2.gz PXJKWTJKJZDIMY-CQSZACIVSA-N -1 1 372.408 2.128 20 0 FEADMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820021158 606171945 /nfs/dbraw/zinc/17/19/45/606171945.db2.gz PXJKWTJKJZDIMY-CQSZACIVSA-N -1 1 372.408 2.128 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000822540473 606182353 /nfs/dbraw/zinc/18/23/53/606182353.db2.gz BGHYRALZEOBMCM-PWSUYJOCSA-N -1 1 357.370 2.141 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000822540473 606182355 /nfs/dbraw/zinc/18/23/55/606182355.db2.gz BGHYRALZEOBMCM-PWSUYJOCSA-N -1 1 357.370 2.141 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000822004107 606196701 /nfs/dbraw/zinc/19/67/01/606196701.db2.gz AJHIQQXPVAWGQB-UEKVPHQBSA-N -1 1 372.473 2.458 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H](C)C2CC2)c1-c1nn[n-]n1 ZINC000822486352 606227235 /nfs/dbraw/zinc/22/72/35/606227235.db2.gz HJQZYOZDBQZUJR-LLVKDONJSA-N -1 1 352.398 2.450 20 0 FEADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820533217 606293854 /nfs/dbraw/zinc/29/38/54/606293854.db2.gz BXZRKQLNWDJXPS-NSHDSACASA-N -1 1 365.393 2.467 20 0 FEADMM O=C(C[C@@H]1OCCc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822945442 606295654 /nfs/dbraw/zinc/29/56/54/606295654.db2.gz FLYRSAIXAICOBY-INIZCTEOSA-N -1 1 351.366 2.215 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000822486591 606392363 /nfs/dbraw/zinc/39/23/63/606392363.db2.gz PVMRQXPORQCYDE-GJZGRUSLSA-N -1 1 364.409 2.450 20 0 FEADMM CCNC(=O)COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821284772 606410669 /nfs/dbraw/zinc/41/06/69/606410669.db2.gz HPMGTYPHFCQZBO-UHFFFAOYSA-N -1 1 358.427 2.055 20 0 FEADMM Cc1ccc(-n2nnnc2Sc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822224976 606440417 /nfs/dbraw/zinc/44/04/17/606440417.db2.gz IJOKKXFHVNDSPY-UHFFFAOYSA-N -1 1 371.817 2.350 20 0 FEADMM Cc1ccc(-n2nnnc2Sc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822224976 606440419 /nfs/dbraw/zinc/44/04/19/606440419.db2.gz IJOKKXFHVNDSPY-UHFFFAOYSA-N -1 1 371.817 2.350 20 0 FEADMM Clc1ccc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)nc1-c1nnn[n-]1 ZINC000822573643 606459270 /nfs/dbraw/zinc/45/92/70/606459270.db2.gz CODMLMKWGPKPLR-CHWSQXEVSA-N -1 1 367.844 2.488 20 0 FEADMM Clc1ccc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)nc1-c1nn[n-]n1 ZINC000822573643 606459271 /nfs/dbraw/zinc/45/92/71/606459271.db2.gz CODMLMKWGPKPLR-CHWSQXEVSA-N -1 1 367.844 2.488 20 0 FEADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821720706 606487378 /nfs/dbraw/zinc/48/73/78/606487378.db2.gz WLGLZJYMVKITLS-UHFFFAOYSA-N -1 1 361.383 2.206 20 0 FEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821720706 606487379 /nfs/dbraw/zinc/48/73/79/606487379.db2.gz WLGLZJYMVKITLS-UHFFFAOYSA-N -1 1 361.383 2.206 20 0 FEADMM O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372460 606492885 /nfs/dbraw/zinc/49/28/85/606492885.db2.gz FCCGOYZFABXREV-UHFFFAOYSA-N -1 1 354.395 2.073 20 0 FEADMM O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372460 606492887 /nfs/dbraw/zinc/49/28/87/606492887.db2.gz FCCGOYZFABXREV-UHFFFAOYSA-N -1 1 354.395 2.073 20 0 FEADMM O=C(NCc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823261993 606501124 /nfs/dbraw/zinc/50/11/24/606501124.db2.gz YUKKXGCKFXZJRE-UHFFFAOYSA-N -1 1 351.338 2.460 20 0 FEADMM O=C(NCc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823261993 606501126 /nfs/dbraw/zinc/50/11/26/606501126.db2.gz YUKKXGCKFXZJRE-UHFFFAOYSA-N -1 1 351.338 2.460 20 0 FEADMM CCN(CCNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1C ZINC000821213181 606511043 /nfs/dbraw/zinc/51/10/43/606511043.db2.gz AIWJQBYQNYDZBJ-UHFFFAOYSA-N -1 1 356.455 2.493 20 0 FEADMM CCN(CCNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1C ZINC000821213181 606511044 /nfs/dbraw/zinc/51/10/44/606511044.db2.gz AIWJQBYQNYDZBJ-UHFFFAOYSA-N -1 1 356.455 2.493 20 0 FEADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000821708775 606516820 /nfs/dbraw/zinc/51/68/20/606516820.db2.gz ZLZYNXVCYMMZFB-UHFFFAOYSA-N -1 1 369.381 2.415 20 0 FEADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000821708775 606516821 /nfs/dbraw/zinc/51/68/21/606516821.db2.gz ZLZYNXVCYMMZFB-UHFFFAOYSA-N -1 1 369.381 2.415 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823176740 606533648 /nfs/dbraw/zinc/53/36/48/606533648.db2.gz XZHDMCRUHBCZKD-NSHDSACASA-N -1 1 372.429 2.324 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176740 606533650 /nfs/dbraw/zinc/53/36/50/606533650.db2.gz XZHDMCRUHBCZKD-NSHDSACASA-N -1 1 372.429 2.324 20 0 FEADMM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000819957806 606541721 /nfs/dbraw/zinc/54/17/21/606541721.db2.gz FABHUFRXGNHMAM-SNVBAGLBSA-N -1 1 371.470 2.167 20 0 FEADMM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000819957806 606541723 /nfs/dbraw/zinc/54/17/23/606541723.db2.gz FABHUFRXGNHMAM-SNVBAGLBSA-N -1 1 371.470 2.167 20 0 FEADMM O=C(NCc1nc(-c2ccncc2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823269221 606546456 /nfs/dbraw/zinc/54/64/56/606546456.db2.gz ATZYOUJDEZECNT-UHFFFAOYSA-N -1 1 369.435 2.377 20 0 FEADMM O=C(NCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823269221 606546458 /nfs/dbraw/zinc/54/64/58/606546458.db2.gz ATZYOUJDEZECNT-UHFFFAOYSA-N -1 1 369.435 2.377 20 0 FEADMM Cn1c(CCCNC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccccc21 ZINC000822596624 606565806 /nfs/dbraw/zinc/56/58/06/606565806.db2.gz NSXCNFYBRAYUME-UHFFFAOYSA-N -1 1 367.438 2.178 20 0 FEADMM Cn1c(CCCNC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc21 ZINC000822596624 606565808 /nfs/dbraw/zinc/56/58/08/606565808.db2.gz NSXCNFYBRAYUME-UHFFFAOYSA-N -1 1 367.438 2.178 20 0 FEADMM COc1cccc(OCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821877435 606567868 /nfs/dbraw/zinc/56/78/68/606567868.db2.gz JYRJFXCCSYUOPA-UHFFFAOYSA-N -1 1 359.411 2.136 20 0 FEADMM COc1cccc(OCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821877435 606567871 /nfs/dbraw/zinc/56/78/71/606567871.db2.gz JYRJFXCCSYUOPA-UHFFFAOYSA-N -1 1 359.411 2.136 20 0 FEADMM CCc1nc(C2(NC(=O)c3ccc(-c4nnn[n-]4)s3)CCCC2)no1 ZINC000821505524 606582655 /nfs/dbraw/zinc/58/26/55/606582655.db2.gz SFNKHCUNBVXQOZ-UHFFFAOYSA-N -1 1 359.415 2.073 20 0 FEADMM CCc1nc(C2(NC(=O)c3ccc(-c4nn[n-]n4)s3)CCCC2)no1 ZINC000821505524 606582656 /nfs/dbraw/zinc/58/26/56/606582656.db2.gz SFNKHCUNBVXQOZ-UHFFFAOYSA-N -1 1 359.415 2.073 20 0 FEADMM CCC1(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)COC1 ZINC000820967186 606629190 /nfs/dbraw/zinc/62/91/90/606629190.db2.gz LJSXNUUREHXPFI-UHFFFAOYSA-N -1 1 357.370 2.142 20 0 FEADMM CCC1(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)COC1 ZINC000820967186 606629192 /nfs/dbraw/zinc/62/91/92/606629192.db2.gz LJSXNUUREHXPFI-UHFFFAOYSA-N -1 1 357.370 2.142 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-c2nn[nH]n2)c1)c1cc2ccccc2o1 ZINC000823578397 606632978 /nfs/dbraw/zinc/63/29/78/606632978.db2.gz OJBIMVHJSLAEKN-UHFFFAOYSA-N -1 1 355.379 2.091 20 0 FEADMM O=C(Cc1ccccc1Br)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823115936 606648332 /nfs/dbraw/zinc/64/83/32/606648332.db2.gz ZAJAVPMNMVBVOJ-UHFFFAOYSA-N -1 1 374.198 2.310 20 0 FEADMM O=C(Cc1ccccc1Br)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823115936 606648333 /nfs/dbraw/zinc/64/83/33/606648333.db2.gz ZAJAVPMNMVBVOJ-UHFFFAOYSA-N -1 1 374.198 2.310 20 0 FEADMM O=C(COc1ccc(F)cc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823041312 606651499 /nfs/dbraw/zinc/65/14/99/606651499.db2.gz YFJZJIVUIYLMLW-UHFFFAOYSA-N -1 1 363.736 2.176 20 0 FEADMM O=C(COc1ccc(F)cc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823041312 606651500 /nfs/dbraw/zinc/65/15/00/606651500.db2.gz YFJZJIVUIYLMLW-UHFFFAOYSA-N -1 1 363.736 2.176 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823436513 606653338 /nfs/dbraw/zinc/65/33/38/606653338.db2.gz ZAGJYTPDVMPIIQ-GHMZBOCLSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823436513 606653339 /nfs/dbraw/zinc/65/33/39/606653339.db2.gz ZAGJYTPDVMPIIQ-GHMZBOCLSA-N -1 1 357.320 2.387 20 0 FEADMM Clc1ccc(NCc2cn(-c3ccccc3)nn2)nc1-c1nnn[n-]1 ZINC000822578760 606725232 /nfs/dbraw/zinc/72/52/32/606725232.db2.gz PRPICJDEEXQHEV-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2cn(-c3ccccc3)nn2)nc1-c1nn[n-]n1 ZINC000822578760 606725233 /nfs/dbraw/zinc/72/52/33/606725233.db2.gz PRPICJDEEXQHEV-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM CCOC(=O)c1sc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)nc1C ZINC000821345999 606804574 /nfs/dbraw/zinc/80/45/74/606804574.db2.gz BVQUYZMURGQHEF-VIFPVBQESA-N -1 1 359.415 2.376 20 0 FEADMM CCOC(=O)c1sc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)nc1C ZINC000821345999 606804576 /nfs/dbraw/zinc/80/45/76/606804576.db2.gz BVQUYZMURGQHEF-VIFPVBQESA-N -1 1 359.415 2.376 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cnn(C)c2C)c1-c1nnn[n-]1 ZINC000821990968 606833357 /nfs/dbraw/zinc/83/33/57/606833357.db2.gz ZZYSATCZALDWTC-UHFFFAOYSA-N -1 1 370.442 2.155 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cnn(C)c2C)c1-c1nn[n-]n1 ZINC000821990968 606833359 /nfs/dbraw/zinc/83/33/59/606833359.db2.gz ZZYSATCZALDWTC-UHFFFAOYSA-N -1 1 370.442 2.155 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820697495 606844788 /nfs/dbraw/zinc/84/47/88/606844788.db2.gz HZFQMDRNXOZQBS-GHMZBOCLSA-N -1 1 353.423 2.205 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000820606806 606867265 /nfs/dbraw/zinc/86/72/65/606867265.db2.gz FEBXLTVNFWSTDD-UHFFFAOYSA-N -1 1 373.413 2.492 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(F)ccc1Br ZINC000823380004 607024759 /nfs/dbraw/zinc/02/47/59/607024759.db2.gz NSWBBHLHTCDCJW-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(F)ccc1Br ZINC000823380004 607024761 /nfs/dbraw/zinc/02/47/61/607024761.db2.gz NSWBBHLHTCDCJW-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000821309227 607032545 /nfs/dbraw/zinc/03/25/45/607032545.db2.gz KXGXAXGLIXBNEB-UHFFFAOYSA-N -1 1 358.427 2.408 20 0 FEADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820667847 607107442 /nfs/dbraw/zinc/10/74/42/607107442.db2.gz OKWPIHZYZCGYQK-KWQFWETISA-N -1 1 369.410 2.170 20 0 FEADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820667847 607107443 /nfs/dbraw/zinc/10/74/43/607107443.db2.gz OKWPIHZYZCGYQK-KWQFWETISA-N -1 1 369.410 2.170 20 0 FEADMM Cc1ccc(OCCCC(=O)n2ncc(-c3nn[n-]n3)c2N)c(Cl)c1 ZINC000822263567 607146816 /nfs/dbraw/zinc/14/68/16/607146816.db2.gz TWMDWTCGHROECL-UHFFFAOYSA-N -1 1 361.793 2.107 20 0 FEADMM Clc1nsc(N[C@@H]2CCO[C@]3(CCSC3)C2)c1-c1nnn[n-]1 ZINC000822591086 607176593 /nfs/dbraw/zinc/17/65/93/607176593.db2.gz QJOAUZSCTZFCCI-JMCQJSRRSA-N -1 1 358.880 2.443 20 0 FEADMM Clc1nsc(N[C@@H]2CCO[C@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC000822591086 607176594 /nfs/dbraw/zinc/17/65/94/607176594.db2.gz QJOAUZSCTZFCCI-JMCQJSRRSA-N -1 1 358.880 2.443 20 0 FEADMM Cc1cccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2)c1 ZINC000822283703 607239263 /nfs/dbraw/zinc/23/92/63/607239263.db2.gz BCTLNRYSZAIZRY-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM Cc1cccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2)c1 ZINC000822283703 607239264 /nfs/dbraw/zinc/23/92/64/607239264.db2.gz BCTLNRYSZAIZRY-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM CC(C)c1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(C(C)C)n1 ZINC000824347572 607838423 /nfs/dbraw/zinc/83/84/23/607838423.db2.gz DTIZEXATQOAXSY-UHFFFAOYSA-N -1 1 370.465 2.254 20 0 FEADMM Cc1cc(F)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826268655 607852271 /nfs/dbraw/zinc/85/22/71/607852271.db2.gz HTJRSVXYXGUEGU-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cn1nc(C(C)(C)C)cc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826365850 607866142 /nfs/dbraw/zinc/86/61/42/607866142.db2.gz GNUSDEKDXGCORC-UHFFFAOYSA-N -1 1 373.392 2.054 20 0 FEADMM Cn1nc(C(C)(C)C)cc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826365850 607866143 /nfs/dbraw/zinc/86/61/43/607866143.db2.gz GNUSDEKDXGCORC-UHFFFAOYSA-N -1 1 373.392 2.054 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N[C@@H]1CCOc2ccccc21 ZINC000826418381 607866632 /nfs/dbraw/zinc/86/66/32/607866632.db2.gz DFWDSCUBDMOUEO-CYBMUJFWSA-N -1 1 369.356 2.025 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N[C@@H]1CCOc2ccccc21 ZINC000826418381 607866633 /nfs/dbraw/zinc/86/66/33/607866633.db2.gz DFWDSCUBDMOUEO-CYBMUJFWSA-N -1 1 369.356 2.025 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825213511 607904684 /nfs/dbraw/zinc/90/46/84/607904684.db2.gz ZIKGXQIFIVOLSO-UKRRQHHQSA-N -1 1 365.441 2.474 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825213511 607904685 /nfs/dbraw/zinc/90/46/85/607904685.db2.gz ZIKGXQIFIVOLSO-UKRRQHHQSA-N -1 1 365.441 2.474 20 0 FEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2cn(C)nn2)n1 ZINC000826262785 608077115 /nfs/dbraw/zinc/07/71/15/608077115.db2.gz YTXNDPSUKVNMFP-UHFFFAOYSA-N -1 1 356.337 2.010 20 0 FEADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825966193 608106763 /nfs/dbraw/zinc/10/67/63/608106763.db2.gz SDHLNEFVJIFNCW-UHFFFAOYSA-N -1 1 364.772 2.057 20 0 FEADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825966193 608106764 /nfs/dbraw/zinc/10/67/64/608106764.db2.gz SDHLNEFVJIFNCW-UHFFFAOYSA-N -1 1 364.772 2.057 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C2CC2)C1 ZINC000826340683 608121654 /nfs/dbraw/zinc/12/16/54/608121654.db2.gz HEKUSGDMOYJOJQ-CYBMUJFWSA-N -1 1 352.398 2.431 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C2CC2)C1 ZINC000826340683 608121655 /nfs/dbraw/zinc/12/16/55/608121655.db2.gz HEKUSGDMOYJOJQ-CYBMUJFWSA-N -1 1 352.398 2.431 20 0 FEADMM Cn1cc([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)cn1 ZINC000826359291 608181988 /nfs/dbraw/zinc/18/19/88/608181988.db2.gz BMWRVYFXPRMPNQ-QMMMGPOBSA-N -1 1 350.839 2.094 20 0 FEADMM Cn1cc([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)cn1 ZINC000826359291 608181990 /nfs/dbraw/zinc/18/19/90/608181990.db2.gz BMWRVYFXPRMPNQ-QMMMGPOBSA-N -1 1 350.839 2.094 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824422109 608187127 /nfs/dbraw/zinc/18/71/27/608187127.db2.gz WSXDZOOJDQBQOG-SSDOTTSWSA-N -1 1 373.870 2.326 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824422109 608187128 /nfs/dbraw/zinc/18/71/28/608187128.db2.gz WSXDZOOJDQBQOG-SSDOTTSWSA-N -1 1 373.870 2.326 20 0 FEADMM CC(C)c1ccsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824352820 608212921 /nfs/dbraw/zinc/21/29/21/608212921.db2.gz PFOOYGQEEZVQHP-UHFFFAOYSA-N -1 1 374.474 2.062 20 0 FEADMM CC(C)c1ccsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824352820 608212922 /nfs/dbraw/zinc/21/29/22/608212922.db2.gz PFOOYGQEEZVQHP-UHFFFAOYSA-N -1 1 374.474 2.062 20 0 FEADMM CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825193364 608245802 /nfs/dbraw/zinc/24/58/02/608245802.db2.gz LDPMHHJJYVQINC-ZWNOBZJWSA-N -1 1 358.446 2.306 20 0 FEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824977924 608261162 /nfs/dbraw/zinc/26/11/62/608261162.db2.gz SXGLRUMVBFMIAI-CHWSQXEVSA-N -1 1 373.461 2.091 20 0 FEADMM COC(=O)CN(CCc1ccccc1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826138205 609262440 /nfs/dbraw/zinc/26/24/40/609262440.db2.gz KILULNGNHLLGKC-UHFFFAOYSA-N -1 1 357.439 2.146 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826333242 609292967 /nfs/dbraw/zinc/29/29/67/609292967.db2.gz ZRBWYHHLTXEIRK-UHFFFAOYSA-N -1 1 365.422 2.352 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826333242 609292969 /nfs/dbraw/zinc/29/29/69/609292969.db2.gz ZRBWYHHLTXEIRK-UHFFFAOYSA-N -1 1 365.422 2.352 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2)C1 ZINC000826495408 609294021 /nfs/dbraw/zinc/29/40/21/609294021.db2.gz OMBKKCCPAFTLOG-UHFFFAOYSA-N -1 1 371.397 2.094 20 0 FEADMM C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC000824918392 609401472 /nfs/dbraw/zinc/40/14/72/609401472.db2.gz PVNLZJMHIVDHPL-BDJLRTHQSA-N -1 1 365.434 2.207 20 0 FEADMM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427611 609407036 /nfs/dbraw/zinc/40/70/36/609407036.db2.gz VLJFIRBHPAARMW-INIZCTEOSA-N -1 1 374.326 2.396 20 0 FEADMM O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427611 609407038 /nfs/dbraw/zinc/40/70/38/609407038.db2.gz VLJFIRBHPAARMW-INIZCTEOSA-N -1 1 374.326 2.396 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824506705 609431992 /nfs/dbraw/zinc/43/19/92/609431992.db2.gz PWWKJAREEJXQED-NEPJUHHUSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824506705 609431993 /nfs/dbraw/zinc/43/19/93/609431993.db2.gz PWWKJAREEJXQED-NEPJUHHUSA-N -1 1 359.434 2.001 20 0 FEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C1(C)COC1 ZINC000826271889 609451523 /nfs/dbraw/zinc/45/15/23/609451523.db2.gz LNBOCSOCQGSLMW-UHFFFAOYSA-N -1 1 366.381 2.337 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810880018 674566253 /nfs/dbraw/zinc/56/62/53/674566253.db2.gz QEBGATGBSIZDAC-KRWDZBQOSA-N -1 1 356.463 2.154 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H](F)Cc2ccccc2)C1)C(F)(F)F ZINC000810899134 674567107 /nfs/dbraw/zinc/56/71/07/674567107.db2.gz VFMVSBMIOBFUKT-KGLIPLIRSA-N -1 1 360.351 2.484 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CCCSC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000811528922 674611743 /nfs/dbraw/zinc/61/17/43/674611743.db2.gz OPWDDXAKZDUPQK-BJDJZHNGSA-N -1 1 352.422 2.434 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000811832043 674632100 /nfs/dbraw/zinc/63/21/00/674632100.db2.gz KCYBNSPLYYQQLH-UHFFFAOYSA-N -1 1 364.305 2.408 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(c2nc3ccccc3c(=O)[nH]2)C1)C(F)(F)F ZINC000811856837 674633686 /nfs/dbraw/zinc/63/36/86/674633686.db2.gz VANMWCNNNMFRBO-JTQLQIEISA-N -1 1 354.332 2.230 20 0 FEADMM Cc1nnc([N-][C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)o1 ZINC000561268819 674652186 /nfs/dbraw/zinc/65/21/86/674652186.db2.gz IPBKHHWJTOBPCF-CYBMUJFWSA-N -1 1 365.231 3.056 20 0 FEADMM Cc1nc(S[C@@H](C)C(=O)NC(=O)NCc2ccccc2)[n-]c(=O)c1C ZINC000561822772 674701510 /nfs/dbraw/zinc/70/15/10/674701510.db2.gz IQTZRJHLBRZQQX-LBPRGKRZSA-N -1 1 360.439 2.306 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)c(F)c1F ZINC000813195784 674726576 /nfs/dbraw/zinc/72/65/76/674726576.db2.gz ASWZJUXXCYEYKE-UHFFFAOYSA-N -1 1 369.393 2.384 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)s1 ZINC000562928945 674823548 /nfs/dbraw/zinc/82/35/48/674823548.db2.gz NXYLHEQOZRXQLR-UHFFFAOYSA-N -1 1 353.347 2.066 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NOC)c2)cc1 ZINC000017821906 670025250 /nfs/dbraw/zinc/02/52/50/670025250.db2.gz GZYMNNXIIZNWAC-UHFFFAOYSA-N -1 1 350.396 2.177 20 0 FEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000031667044 670123562 /nfs/dbraw/zinc/12/35/62/670123562.db2.gz SCQWNWNFPAONHH-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM COCCNC(=S)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000044081109 670184266 /nfs/dbraw/zinc/18/42/66/670184266.db2.gz FKWJTOUHOXUILH-UHFFFAOYSA-N -1 1 365.480 2.420 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sc(Cl)cc3C2)co1 ZINC000565021190 675087174 /nfs/dbraw/zinc/08/71/74/675087174.db2.gz FRYFEHPBVAOXEN-UHFFFAOYSA-N -1 1 360.844 2.101 20 0 FEADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000565024700 675087486 /nfs/dbraw/zinc/08/74/86/675087486.db2.gz MRRUCKBSJOWPER-NSHDSACASA-N -1 1 374.666 2.137 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)o1 ZINC000046316133 670221157 /nfs/dbraw/zinc/22/11/57/670221157.db2.gz SACQNVJXSLRRKI-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM O=S(=O)([N-]C[C@H]1COc2ccccc2O1)c1ccc(F)c(F)c1F ZINC000047030243 670233877 /nfs/dbraw/zinc/23/38/77/670233877.db2.gz KHRHJDPYWCMHLQ-VIFPVBQESA-N -1 1 359.325 2.222 20 0 FEADMM CC(C)Cc1nc(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)cs1 ZINC000058340164 670377297 /nfs/dbraw/zinc/37/72/97/670377297.db2.gz SQJGDMYGUUTJQF-UHFFFAOYSA-N -1 1 367.452 2.021 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)cc1 ZINC000064475877 670424531 /nfs/dbraw/zinc/42/45/31/670424531.db2.gz WMAGEJOSDQSYNX-UHFFFAOYSA-N -1 1 361.423 2.243 20 0 FEADMM O=C(NCc1ccco1)N[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000064939789 670428041 /nfs/dbraw/zinc/42/80/41/670428041.db2.gz NKZWATZPBXFJCC-UHFFFAOYSA-N -1 1 370.239 2.341 20 0 FEADMM CCn1c(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)n[n-]c1=S ZINC000067050619 670452017 /nfs/dbraw/zinc/45/20/17/670452017.db2.gz OFZDIYXRKDCPSC-UHFFFAOYSA-N -1 1 362.455 2.326 20 0 FEADMM CC(C)n1c(CCNC(=O)CCNC(=O)c2cccs2)n[n-]c1=S ZINC000067073846 670452434 /nfs/dbraw/zinc/45/24/34/670452434.db2.gz UVWYCXAHNHECIQ-UHFFFAOYSA-N -1 1 367.500 2.062 20 0 FEADMM CC(C)(C)c1noc(CCC(=O)NCCc2n[n-]c(=S)n2C2CC2)n1 ZINC000067093153 670453319 /nfs/dbraw/zinc/45/33/19/670453319.db2.gz LRPXDTILXYUSHU-UHFFFAOYSA-N -1 1 364.475 2.248 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CC1 ZINC000565273349 675107453 /nfs/dbraw/zinc/10/74/53/675107453.db2.gz TWTSUUPCNDUUGJ-UHFFFAOYSA-N -1 1 372.244 2.295 20 0 FEADMM Cc1nc2ccccc2cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000565296004 675109189 /nfs/dbraw/zinc/10/91/89/675109189.db2.gz GAFCXFNXZZVNOO-UHFFFAOYSA-N -1 1 357.391 2.149 20 0 FEADMM CC(C)n1c(CNC(=O)c2cnc(-c3cnn(C)c3)s2)n[n-]c1=S ZINC000069705989 670488294 /nfs/dbraw/zinc/48/82/94/670488294.db2.gz ZAHIXRYFTRRGAL-UHFFFAOYSA-N -1 1 363.472 2.309 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCCc2scnc2C)c(=O)[n-]1 ZINC000073269377 670501043 /nfs/dbraw/zinc/50/10/43/670501043.db2.gz SDNVUUFPELJZOL-UHFFFAOYSA-N -1 1 353.469 2.284 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c1Cl ZINC000074356814 670518730 /nfs/dbraw/zinc/51/87/30/670518730.db2.gz QSHMJFKTIGTLGR-UHFFFAOYSA-N -1 1 355.847 2.058 20 0 FEADMM N#C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000080176649 670617776 /nfs/dbraw/zinc/61/77/76/670617776.db2.gz ZPLVVNWMUDGDPL-ZJUUUORDSA-N -1 1 357.222 2.021 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1)OC ZINC000817353037 675123926 /nfs/dbraw/zinc/12/39/26/675123926.db2.gz MIRROFNUZLDEEN-UZJPJQLHSA-N -1 1 359.391 2.481 20 0 FEADMM O=C(N[N-]C(=O)c1cc(F)ccc1Br)N[C@H]1CCSC1 ZINC000080518338 670626099 /nfs/dbraw/zinc/62/60/99/670626099.db2.gz JOXRSLIHOOOCTM-QMMMGPOBSA-N -1 1 362.224 2.038 20 0 FEADMM C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000081992864 670651680 /nfs/dbraw/zinc/65/16/80/670651680.db2.gz CPQCKUBLDNIOFF-NHYWBVRUSA-N -1 1 354.435 2.273 20 0 FEADMM O=C(NC[C@H]1Cc2ccccc2O1)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000083178552 670656259 /nfs/dbraw/zinc/65/62/59/670656259.db2.gz WELJQJLVBPSPPI-GFCCVEGCSA-N -1 1 363.776 2.427 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000084316661 670667165 /nfs/dbraw/zinc/66/71/65/670667165.db2.gz CKQUIUPWSIQJTM-UHFFFAOYSA-N -1 1 360.447 2.396 20 0 FEADMM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1cc(F)ccc1F ZINC000088779971 670693494 /nfs/dbraw/zinc/69/34/94/670693494.db2.gz WPZXZNBWBNCXME-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)o1 ZINC000570548865 670730964 /nfs/dbraw/zinc/73/09/64/670730964.db2.gz NMEKDVQHIQVSSA-UHFFFAOYSA-N -1 1 367.379 2.490 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000570790632 670769630 /nfs/dbraw/zinc/76/96/30/670769630.db2.gz KLVBXLHRYCFBGE-OLZOCXBDSA-N -1 1 353.431 2.463 20 0 FEADMM CCC1(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)COC1 ZINC000817489532 675137933 /nfs/dbraw/zinc/13/79/33/675137933.db2.gz CMYBLDMOJMANAI-GFCCVEGCSA-N -1 1 356.344 2.049 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CO1 ZINC000817489829 675138131 /nfs/dbraw/zinc/13/81/31/675138131.db2.gz GZBVRTKNVBMQOH-RAIGVLPGSA-N -1 1 356.344 2.048 20 0 FEADMM C[C@@H]1OCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817491320 675138562 /nfs/dbraw/zinc/13/85/62/675138562.db2.gz XVAOCJYRFDYSKP-DRZSPHRISA-N -1 1 356.344 2.048 20 0 FEADMM CC[C@@H](C)C[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OC ZINC000571211842 670836014 /nfs/dbraw/zinc/83/60/14/670836014.db2.gz KAGIDWFIGOJYOM-ZWNOBZJWSA-N -1 1 369.487 2.239 20 0 FEADMM C[C@@H]1CCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000571512307 670884042 /nfs/dbraw/zinc/88/40/42/670884042.db2.gz RNNHGCKYORTPJR-SNVBAGLBSA-N -1 1 352.378 2.031 20 0 FEADMM CC(C)Cn1c([O-])c(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)[nH]c1=O ZINC000817571121 675148287 /nfs/dbraw/zinc/14/82/87/675148287.db2.gz NMBQNKTXXGKYSH-LLVKDONJSA-N -1 1 372.208 2.283 20 0 FEADMM O=S(=O)([N-]Cc1cccc(N2CCOCC2)n1)c1sccc1Cl ZINC000571613324 670900363 /nfs/dbraw/zinc/90/03/63/670900363.db2.gz VOYQFYXCXNTBTH-UHFFFAOYSA-N -1 1 373.887 2.112 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)cn1 ZINC000572185792 670971315 /nfs/dbraw/zinc/97/13/15/670971315.db2.gz OBBGRDKMCZTLNZ-UHFFFAOYSA-N -1 1 359.363 2.143 20 0 FEADMM CC(=O)CCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817675085 675160338 /nfs/dbraw/zinc/16/03/38/675160338.db2.gz LKCYWOVTIWHPDB-CYBMUJFWSA-N -1 1 356.344 2.382 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3n2C)c1 ZINC000573297128 671104572 /nfs/dbraw/zinc/10/45/72/671104572.db2.gz MVWWNKPCEKPKGE-UHFFFAOYSA-N -1 1 359.407 2.044 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCSc1ncc(C)c(=O)[n-]1 ZINC000574771382 671275948 /nfs/dbraw/zinc/27/59/48/671275948.db2.gz VAUBOKVPUKJHGA-UHFFFAOYSA-N -1 1 354.453 2.455 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)CC23CCC(CC2)C3)C2CCOCC2)n1 ZINC000574996884 671291575 /nfs/dbraw/zinc/29/15/75/671291575.db2.gz UIPHWLAWLMOVOO-GULBITTBSA-N -1 1 369.487 2.345 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)CCOCCC(C)C)n2)cc1 ZINC000575982480 671335533 /nfs/dbraw/zinc/33/55/33/671335533.db2.gz FJUPYMZPHSXGNK-UHFFFAOYSA-N -1 1 353.444 2.317 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CCOCCC(C)C)n[n-]2)cc1 ZINC000575982480 671335537 /nfs/dbraw/zinc/33/55/37/671335537.db2.gz FJUPYMZPHSXGNK-UHFFFAOYSA-N -1 1 353.444 2.317 20 0 FEADMM O=C(NCC(F)(F)CO)c1c([O-])cnc2c(Br)cccc21 ZINC000576511485 671373825 /nfs/dbraw/zinc/37/38/25/671373825.db2.gz YRUSDHVLNGYLCQ-UHFFFAOYSA-N -1 1 361.142 2.060 20 0 FEADMM Cc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)n[nH]1 ZINC000576760484 671392544 /nfs/dbraw/zinc/39/25/44/671392544.db2.gz URPYTKRRXDDJII-ZETCQYMHSA-N -1 1 372.472 2.210 20 0 FEADMM CN(CCCOc1cccc(Cl)c1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000576761311 671392735 /nfs/dbraw/zinc/39/27/35/671392735.db2.gz IFUFMEFJABXKFE-UHFFFAOYSA-N -1 1 368.861 2.364 20 0 FEADMM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)s1 ZINC000576823389 671397502 /nfs/dbraw/zinc/39/75/02/671397502.db2.gz QNHVJEASGDXFNS-UHFFFAOYSA-N -1 1 370.500 2.497 20 0 FEADMM COC(=O)C1CCN(C(=O)[C@H](Sc2ncc(C)c(=O)[n-]2)C(C)C)CC1 ZINC000578207392 671648679 /nfs/dbraw/zinc/64/86/79/671648679.db2.gz WDVVQNUPKCYKNN-CYBMUJFWSA-N -1 1 367.471 2.019 20 0 FEADMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)s1 ZINC000578342209 671658309 /nfs/dbraw/zinc/65/83/09/671658309.db2.gz NEFZWXXECNQUQA-UHFFFAOYSA-N -1 1 368.406 2.033 20 0 FEADMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2)[C@@H]1O ZINC000579089881 671711340 /nfs/dbraw/zinc/71/13/40/671711340.db2.gz MCFXQNNLEPDYBG-OCCSQVGLSA-N -1 1 357.428 2.439 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c(C)c1 ZINC000609796328 675936776 /nfs/dbraw/zinc/93/67/76/675936776.db2.gz PVKINRNBUUJDMW-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000579943978 671772169 /nfs/dbraw/zinc/77/21/69/671772169.db2.gz CZDMTORRZRQCMK-TUAOUCFPSA-N -1 1 350.440 2.208 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)NCc2n[nH]c(C3CC3)n2)s[n-]1 ZINC000580039677 671778137 /nfs/dbraw/zinc/77/81/37/671778137.db2.gz NIHRVDPLCHTNPH-UHFFFAOYSA-N -1 1 361.456 2.314 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(CN3CCSCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000580311867 671797173 /nfs/dbraw/zinc/79/71/73/671797173.db2.gz VKNFIVGIBUELIU-YOEHRIQHSA-N -1 1 362.495 2.418 20 0 FEADMM CCC[C@@](C)([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C(=O)OC ZINC000610004715 675946534 /nfs/dbraw/zinc/94/65/34/675946534.db2.gz AMPBZSLFPZMQJF-QGZVFWFLSA-N -1 1 366.439 2.493 20 0 FEADMM Cc1nc(-c2ccc(CCNC(=O)Cc3sc(N)nc3[O-])cc2)cs1 ZINC000120837057 671936690 /nfs/dbraw/zinc/93/66/90/671936690.db2.gz KSMMLQXFMWTBJL-CQSZACIVSA-N -1 1 374.491 2.124 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccsc1 ZINC000121145215 671943516 /nfs/dbraw/zinc/94/35/16/671943516.db2.gz FVARMZGDJBJNHS-ZDUSSCGKSA-N -1 1 351.371 2.351 20 0 FEADMM C[C@@H]1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000582179309 671976547 /nfs/dbraw/zinc/97/65/47/671976547.db2.gz WDNCJEAXHWLVAG-CZUORRHYSA-N -1 1 351.422 2.010 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1)N1CCCCC1 ZINC000126016348 672019414 /nfs/dbraw/zinc/01/94/14/672019414.db2.gz CKJGJXDFXSDLNX-AWEZNQCLSA-N -1 1 359.879 2.050 20 0 FEADMM Cc1sc(N2CCC(CCCN3CCOCC3)CC2)nc1C(=O)[O-] ZINC000582847201 672039567 /nfs/dbraw/zinc/03/95/67/672039567.db2.gz DYAAUUFSPPBBHJ-UHFFFAOYSA-N -1 1 353.488 2.479 20 0 FEADMM O=C(c1cccnc1SC(F)(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129532348 672063568 /nfs/dbraw/zinc/06/35/68/672063568.db2.gz ZHUAWZLIXHIAMC-QMMMGPOBSA-N -1 1 358.349 2.226 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc3cnn(CC)c3c2)cc1C(=O)[O-] ZINC000130491436 672076099 /nfs/dbraw/zinc/07/60/99/672076099.db2.gz MKFIPBHVCUXGEH-UHFFFAOYSA-N -1 1 362.411 2.377 20 0 FEADMM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc(Br)ccc1[O-] ZINC000131101905 672084027 /nfs/dbraw/zinc/08/40/27/672084027.db2.gz BCGJHYOGRWRMOV-UHFFFAOYSA-N -1 1 364.261 2.050 20 0 FEADMM CC(C)C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000583569471 672107999 /nfs/dbraw/zinc/10/79/99/672107999.db2.gz ATDQGUGAPBETKP-AWEZNQCLSA-N -1 1 374.890 2.146 20 0 FEADMM CC(C)C[C@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000134215245 672121077 /nfs/dbraw/zinc/12/10/77/672121077.db2.gz YSUBMSFGQHPMEX-JTQLQIEISA-N -1 1 363.195 2.134 20 0 FEADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000151286721 672160053 /nfs/dbraw/zinc/16/00/53/672160053.db2.gz QEILENRHTBSCND-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM COC(=O)[C@H]1CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000151647348 672167110 /nfs/dbraw/zinc/16/71/10/672167110.db2.gz AFRHXJIGCMAKKJ-NSHDSACASA-N -1 1 352.485 2.435 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CCNC3=O)cc1C ZINC000584278861 672172140 /nfs/dbraw/zinc/17/21/40/672172140.db2.gz FMQFHBRXASNVSJ-UHFFFAOYSA-N -1 1 360.435 2.399 20 0 FEADMM CCCS(=O)(=O)[N-]C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000154015646 672208843 /nfs/dbraw/zinc/20/88/43/672208843.db2.gz BGSOZAZAVDJSKK-HNNXBMFYSA-N -1 1 352.500 2.186 20 0 FEADMM CCOc1ccccc1C(F)(F)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155498240 672234711 /nfs/dbraw/zinc/23/47/11/672234711.db2.gz WULFUOZNYAMCHQ-NSHDSACASA-N -1 1 351.357 2.096 20 0 FEADMM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1ccc(F)c(F)c1F ZINC000155966168 672240748 /nfs/dbraw/zinc/24/07/48/672240748.db2.gz WALDVHAXMRDPMY-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cccc(-n2cccn2)n1 ZINC000156367195 672245528 /nfs/dbraw/zinc/24/55/28/672245528.db2.gz QNDSUCDSVPQUJA-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1nccs1 ZINC000159922245 672286536 /nfs/dbraw/zinc/28/65/36/672286536.db2.gz DMTQYXYWWXEFNJ-LLVKDONJSA-N -1 1 358.416 2.498 20 0 FEADMM Cc1cc(F)c(C(=O)[N-]NC(=O)c2cc(Br)cn2C)cc1F ZINC000160261450 672289693 /nfs/dbraw/zinc/28/96/93/672289693.db2.gz CVTVURLCCWVZME-UHFFFAOYSA-N -1 1 372.169 2.449 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C)nc3ccccc23)co1 ZINC000163678949 672310484 /nfs/dbraw/zinc/31/04/84/672310484.db2.gz LUWSZMYHHOBGTG-UHFFFAOYSA-N -1 1 360.391 2.401 20 0 FEADMM O=C([N-]O[C@@H]1CCCCO1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175989310 672371972 /nfs/dbraw/zinc/37/19/72/672371972.db2.gz VVQWAMVDUZVTFI-CYBMUJFWSA-N -1 1 367.199 2.479 20 0 FEADMM COC(=O)N1CC([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000178152280 672389408 /nfs/dbraw/zinc/38/94/08/672389408.db2.gz XGRRKCSTXIULJV-UHFFFAOYSA-N -1 1 372.752 2.088 20 0 FEADMM COC(=O)c1cc(Cl)cc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1O ZINC000588095254 672448950 /nfs/dbraw/zinc/44/89/50/672448950.db2.gz NFPPARSSYSJFSV-UHFFFAOYSA-N -1 1 373.770 2.081 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000611082631 676015788 /nfs/dbraw/zinc/01/57/88/676015788.db2.gz RYWGBJKAMAMGDT-UHFFFAOYSA-N -1 1 367.276 2.101 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)c1Cl ZINC000183641869 672474962 /nfs/dbraw/zinc/47/49/62/672474962.db2.gz XQKRCPLZFKVYQA-UHFFFAOYSA-N -1 1 365.846 2.237 20 0 FEADMM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000183742009 672478984 /nfs/dbraw/zinc/47/89/84/672478984.db2.gz VGCYKFVVIRLDRY-UHFFFAOYSA-N -1 1 371.702 2.157 20 0 FEADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N2Cc3ccccc3C2=O)c1 ZINC000183817740 672481937 /nfs/dbraw/zinc/48/19/37/672481937.db2.gz LKRQSRRRYCZDFC-UHFFFAOYSA-N -1 1 364.810 2.044 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2nccn2CC(C)C)c(F)c1 ZINC000679439337 672496048 /nfs/dbraw/zinc/49/60/48/672496048.db2.gz CLQFTDUUEPEPOS-UHFFFAOYSA-N -1 1 359.398 2.304 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1OC ZINC000589149016 672509670 /nfs/dbraw/zinc/50/96/70/672509670.db2.gz BVTYEOVXKBAJTB-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2cccnc2=O)c1 ZINC000589431417 672525037 /nfs/dbraw/zinc/52/50/37/672525037.db2.gz JEOQYFWWQGZUPG-UHFFFAOYSA-N -1 1 355.419 2.401 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000589980647 672552151 /nfs/dbraw/zinc/55/21/51/672552151.db2.gz KXZULMNKRAWXQL-UHFFFAOYSA-N -1 1 358.379 2.003 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2n[nH]c(C(C)C)c2Br)n1 ZINC000590356684 672574525 /nfs/dbraw/zinc/57/45/25/672574525.db2.gz LEHMVALQRXKRJG-UHFFFAOYSA-N -1 1 370.207 2.448 20 0 FEADMM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000188339757 672588748 /nfs/dbraw/zinc/58/87/48/672588748.db2.gz HTDGWPDNVAMPPJ-UHFFFAOYSA-N -1 1 353.132 2.292 20 0 FEADMM COc1cc(C)[n-]c(=NNC(=O)c2cc(Br)ncc2Cl)n1 ZINC000188902029 672601477 /nfs/dbraw/zinc/60/14/77/672601477.db2.gz XHPIQQFWJXSUHR-UHFFFAOYSA-N -1 1 372.610 2.361 20 0 FEADMM Cc1nn2cc(S(=O)(=O)[N-]c3ccnc(C)c3Cl)cnc2c1Cl ZINC000680951921 672615579 /nfs/dbraw/zinc/61/55/79/672615579.db2.gz BZVCBZLPNGEVFB-UHFFFAOYSA-N -1 1 372.237 2.271 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)N1CCCC1 ZINC000680974507 672617441 /nfs/dbraw/zinc/61/74/41/672617441.db2.gz FHPYEVBHBJNAPB-ZDUSSCGKSA-N -1 1 362.854 2.404 20 0 FEADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189981050 672628460 /nfs/dbraw/zinc/62/84/60/672628460.db2.gz NHRGCJTXXIDZKW-QMMMGPOBSA-N -1 1 358.236 2.429 20 0 FEADMM CCc1nc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)co1 ZINC000681355730 672652088 /nfs/dbraw/zinc/65/20/88/672652088.db2.gz GXNWKGIYGVUHBG-LBPRGKRZSA-N -1 1 350.741 2.062 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000194034827 672744639 /nfs/dbraw/zinc/74/46/39/672744639.db2.gz OZFKHMIEEPDUNS-VMPITWQZSA-N -1 1 352.799 2.345 20 0 FEADMM O=C(NOCC(F)(F)F)c1cc(I)ccc1[O-] ZINC000225301913 672794936 /nfs/dbraw/zinc/79/49/36/672794936.db2.gz YXCPEHRSAVNAOO-UHFFFAOYSA-N -1 1 361.057 2.221 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCN(C)Cc2ccc(F)cc2)C1 ZINC000263324541 672931296 /nfs/dbraw/zinc/93/12/96/672931296.db2.gz KIWFOZADBBIGNM-UKRRQHHQSA-N -1 1 351.422 2.010 20 0 FEADMM C/C(=C/C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000263639510 672936380 /nfs/dbraw/zinc/93/63/80/672936380.db2.gz IPHMKVPLAVCBDW-NTMALXAHSA-N -1 1 350.371 2.221 20 0 FEADMM C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684873686 672973020 /nfs/dbraw/zinc/97/30/20/672973020.db2.gz CQWHUNURCTXBGO-VIFPVBQESA-N -1 1 365.373 2.449 20 0 FEADMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2O)c(Cl)cc1Cl ZINC000290795856 672993270 /nfs/dbraw/zinc/99/32/70/672993270.db2.gz QVVCAVNHOUXRKM-PSASIEDQSA-N -1 1 355.199 2.093 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(OC)cc2Cl)co1 ZINC000685206036 672997804 /nfs/dbraw/zinc/99/78/04/672997804.db2.gz ZABNWUUWALLMAT-UHFFFAOYSA-N -1 1 358.803 2.410 20 0 FEADMM Cc1oc(C)c(S(N)(=O)=O)c1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000685365817 673007124 /nfs/dbraw/zinc/00/71/24/673007124.db2.gz HCNAPUVEXPSEGC-UHFFFAOYSA-N -1 1 353.331 2.106 20 0 FEADMM CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000324301626 673045303 /nfs/dbraw/zinc/04/53/03/673045303.db2.gz PKPIZJPNQGMYJW-NSHDSACASA-N -1 1 362.879 2.293 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCN(C)C[C@@H]1CC ZINC000326188023 673051977 /nfs/dbraw/zinc/05/19/77/673051977.db2.gz LHMUNDUDMAHVAQ-HNNXBMFYSA-N -1 1 354.472 2.052 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)CSC)c1F ZINC000594451141 673073970 /nfs/dbraw/zinc/07/39/70/673073970.db2.gz LYQCISUGDABOJE-ZETCQYMHSA-N -1 1 355.840 2.296 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC12OCCO2)c1sccc1Br ZINC000715981884 673074169 /nfs/dbraw/zinc/07/41/69/673074169.db2.gz ZKLSLBPEDOMSBB-VIFPVBQESA-N -1 1 368.274 2.085 20 0 FEADMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000594864579 673170418 /nfs/dbraw/zinc/17/04/18/673170418.db2.gz GXOUKOKRQVEBOW-CYBMUJFWSA-N -1 1 355.790 2.190 20 0 FEADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(S(C)(=O)=O)c2)c1 ZINC000417585198 673189861 /nfs/dbraw/zinc/18/98/61/673189861.db2.gz PGGGBSCWVDFWHD-QGZVFWFLSA-N -1 1 363.435 2.404 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(OC)c2)cc1C ZINC000595312867 673221511 /nfs/dbraw/zinc/22/15/11/673221511.db2.gz OBFMXKQBQJZDJN-LBPRGKRZSA-N -1 1 367.423 2.293 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)cc1C ZINC000595322224 673224016 /nfs/dbraw/zinc/22/40/16/673224016.db2.gz PZULMTOMVSPNGP-OLZOCXBDSA-N -1 1 359.444 2.247 20 0 FEADMM CCOCCC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CCC1 ZINC000595323360 673224435 /nfs/dbraw/zinc/22/44/35/673224435.db2.gz MSKVDCSCIBXBDY-UHFFFAOYSA-N -1 1 359.444 2.250 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)cc1C ZINC000595327286 673225542 /nfs/dbraw/zinc/22/55/42/673225542.db2.gz OJRAUADKBMOYCE-UHFFFAOYSA-N -1 1 359.350 2.174 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2c(C)oc3nc[nH]c(=O)c32)s1 ZINC000444463319 673225583 /nfs/dbraw/zinc/22/55/83/673225583.db2.gz IQSDWRXWWHXYBA-UHFFFAOYSA-N -1 1 357.355 2.039 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)CCCCC1 ZINC000451020530 673234397 /nfs/dbraw/zinc/23/43/97/673234397.db2.gz XLUSOXDQGXUWPR-OAHLLOKOSA-N -1 1 355.456 2.169 20 0 FEADMM COc1cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000454658474 673244424 /nfs/dbraw/zinc/24/44/24/673244424.db2.gz LLWDWRVFCIEIQY-UONOGXRCSA-N -1 1 361.423 2.204 20 0 FEADMM CCCCOCCOCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000462663662 673272733 /nfs/dbraw/zinc/27/27/33/673272733.db2.gz ZYUPXQOQSIKSMN-UHFFFAOYSA-N -1 1 355.378 2.216 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)o1 ZINC000462723927 673279492 /nfs/dbraw/zinc/27/94/92/673279492.db2.gz VHPUSSSMRJLJEM-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(SC)c(OC)c2)o1 ZINC000731710427 673340212 /nfs/dbraw/zinc/34/02/12/673340212.db2.gz VBXMTEWXFGCBBA-UHFFFAOYSA-N -1 1 371.436 2.275 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1c(Cl)cccc1Br)c1nn[n-]n1 ZINC000613474322 676130428 /nfs/dbraw/zinc/13/04/28/676130428.db2.gz HAUZJLNBJVGGOR-MRVPVSSYSA-N -1 1 372.654 2.420 20 0 FEADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000731901604 673347114 /nfs/dbraw/zinc/34/71/14/673347114.db2.gz BPWRCYSWQYSGOC-QHCPKHFHSA-N -1 1 363.416 2.331 20 0 FEADMM C[C@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1c(Cl)cccc1Cl ZINC000732091245 673353294 /nfs/dbraw/zinc/35/32/94/673353294.db2.gz WMWDWZWPIFVLPB-GZMMTYOYSA-N -1 1 356.213 2.210 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000733148466 673400415 /nfs/dbraw/zinc/40/04/15/673400415.db2.gz MIXTZDWQGJKCPR-MRXNPFEDSA-N -1 1 361.829 2.238 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1 ZINC000538010920 673417432 /nfs/dbraw/zinc/41/74/32/673417432.db2.gz STCNMCDDASSHBR-UHFFFAOYSA-N -1 1 364.423 2.139 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(F)ccc2OC)cc1CC(=O)[O-] ZINC000538094500 673421503 /nfs/dbraw/zinc/42/15/03/673421503.db2.gz YSZTWXAQNVNMIQ-UHFFFAOYSA-N -1 1 369.370 2.271 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(Br)s1 ZINC000538228495 673427779 /nfs/dbraw/zinc/42/77/79/673427779.db2.gz WLVPTOVVYYOIMR-MRVPVSSYSA-N -1 1 356.249 2.352 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2c(C)cccc2O)cc1CC(=O)[O-] ZINC000538497468 673443179 /nfs/dbraw/zinc/44/31/79/673443179.db2.gz WDMSMLHWXMVVKM-UHFFFAOYSA-N -1 1 351.380 2.137 20 0 FEADMM COC(=O)c1ccccc1N(C)C(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000538516916 673443849 /nfs/dbraw/zinc/44/38/49/673443849.db2.gz WXVQBUMGRSGAJQ-UHFFFAOYSA-N -1 1 361.423 2.341 20 0 FEADMM CSc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])o1 ZINC000538888396 673465281 /nfs/dbraw/zinc/46/52/81/673465281.db2.gz GOJVCPBHNNVFKR-UHFFFAOYSA-N -1 1 368.436 2.400 20 0 FEADMM Cc1ccsc1CCCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000539705457 673502116 /nfs/dbraw/zinc/50/21/16/673502116.db2.gz FSWBIYOTVNGJJV-UHFFFAOYSA-N -1 1 354.453 2.371 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCSCC(F)(F)F ZINC000539902720 673512419 /nfs/dbraw/zinc/51/24/19/673512419.db2.gz YDTSJVUHQCPOOH-UHFFFAOYSA-N -1 1 362.377 2.006 20 0 FEADMM Cn1ncc2c1nc(Oc1ccccc1I)[n-]c2=O ZINC000539991867 673518341 /nfs/dbraw/zinc/51/83/41/673518341.db2.gz YSJJWYJQJFHYOT-UHFFFAOYSA-N -1 1 368.134 2.466 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000540338093 673534595 /nfs/dbraw/zinc/53/45/95/673534595.db2.gz LBFXDCYFXCMMGV-NSHDSACASA-N -1 1 362.407 2.353 20 0 FEADMM C[C@@]12COC[C@H]1CN(C(=O)c1cc(I)ccc1[O-])C2 ZINC000598222873 673549857 /nfs/dbraw/zinc/54/98/57/673549857.db2.gz DCOIHKXBFSZZPJ-YMTOWFKASA-N -1 1 373.190 2.105 20 0 FEADMM COc1cccc2c1OC[C@@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000737142686 673551808 /nfs/dbraw/zinc/55/18/08/673551808.db2.gz LZMPIUGFZMNQKM-JTQLQIEISA-N -1 1 358.789 2.339 20 0 FEADMM COc1cccc2c1OC[C@@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000737142686 673551811 /nfs/dbraw/zinc/55/18/11/673551811.db2.gz LZMPIUGFZMNQKM-JTQLQIEISA-N -1 1 358.789 2.339 20 0 FEADMM Cc1nc(-c2ccc(NC[C@H]3CCCCS3(=O)=O)nc2)[n-]c(=O)c1C ZINC000542259437 673571067 /nfs/dbraw/zinc/57/10/67/673571067.db2.gz NHYXRILQWURYIB-CQSZACIVSA-N -1 1 362.455 2.240 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(OC)ccc2F)o1 ZINC000598623226 673592029 /nfs/dbraw/zinc/59/20/29/673592029.db2.gz WCVMQUCZTZDTAB-UHFFFAOYSA-N -1 1 357.359 2.083 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCCSC)c1F ZINC000599238728 673646524 /nfs/dbraw/zinc/64/65/24/673646524.db2.gz PYFFIHHLDZJTSR-UHFFFAOYSA-N -1 1 353.412 2.173 20 0 FEADMM COc1cc(NC(=O)NCCCOCC2CC2)ccc1[N-]S(C)(=O)=O ZINC000599409001 673671326 /nfs/dbraw/zinc/67/13/26/673671326.db2.gz MTXJFIONVMKDAZ-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000599434057 673675265 /nfs/dbraw/zinc/67/52/65/673675265.db2.gz PVFFMDJIPSBTRN-UHFFFAOYSA-N -1 1 371.789 2.459 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2C(=O)CCC2=O)cc1 ZINC000599935362 673728913 /nfs/dbraw/zinc/72/89/13/673728913.db2.gz WILNUQFWCWQSBP-UHFFFAOYSA-N -1 1 360.391 2.149 20 0 FEADMM COc1cc(NC(=O)c2oc(C3CC3)nc2C)ccc1[N-]S(C)(=O)=O ZINC000544819399 673734465 /nfs/dbraw/zinc/73/44/65/673734465.db2.gz LIBAJFKJBWZHKO-UHFFFAOYSA-N -1 1 365.411 2.493 20 0 FEADMM Cc1cc(Cc2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)no1 ZINC000544993014 673742163 /nfs/dbraw/zinc/74/21/63/673742163.db2.gz MRHJQNWUGHFCRJ-UHFFFAOYSA-N -1 1 366.399 2.294 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000545120382 673745563 /nfs/dbraw/zinc/74/55/63/673745563.db2.gz BTZYBRLHEHHSPD-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM COC(=O)c1cnc(C2CCN(C(=O)c3ncc(C)cc3[O-])CC2)s1 ZINC000600273859 673753179 /nfs/dbraw/zinc/75/31/79/673753179.db2.gz AHUYJMXLRQZUIA-UHFFFAOYSA-N -1 1 361.423 2.359 20 0 FEADMM O=C1NCCN(Cn2[n-]c(-c3ccccn3)nc2=S)[C@H]1c1cccs1 ZINC000743383485 673758015 /nfs/dbraw/zinc/75/80/15/673758015.db2.gz RIFVZEGGFJHYLE-ZDUSSCGKSA-N -1 1 372.479 2.195 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1N(C)C)C1CC1 ZINC000600655116 673786493 /nfs/dbraw/zinc/78/64/93/673786493.db2.gz ITDHLTVVARZOOV-MRXNPFEDSA-N -1 1 370.471 2.096 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)[nH]n1 ZINC000600667620 673789463 /nfs/dbraw/zinc/78/94/63/673789463.db2.gz FOKMKHCIJLCWTC-UHFFFAOYSA-N -1 1 359.354 2.228 20 0 FEADMM O=C(NCCc1ccc(I)s1)c1ncccc1[O-] ZINC000547295734 673840569 /nfs/dbraw/zinc/84/05/69/673840569.db2.gz OEJAQEJCKARHJC-UHFFFAOYSA-N -1 1 374.203 2.426 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)C[C@H]2CCC2(F)F)Cc2ccccc2C1 ZINC000601328507 673843424 /nfs/dbraw/zinc/84/34/24/673843424.db2.gz RRXMCNCDSKABSK-CQSZACIVSA-N -1 1 373.421 2.052 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CC[C@@H](SC)C2)cc1[N-]S(C)(=O)=O ZINC000745898639 673856287 /nfs/dbraw/zinc/85/62/87/673856287.db2.gz YMIMHQGVSRSZOX-CMPLNLGQSA-N -1 1 373.500 2.472 20 0 FEADMM CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])c1 ZINC000547558035 673863213 /nfs/dbraw/zinc/86/32/13/673863213.db2.gz IPSXKFKQGDITDG-UHFFFAOYSA-N -1 1 363.370 2.262 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H]1C(F)F ZINC000601607855 673886644 /nfs/dbraw/zinc/88/66/44/673886644.db2.gz XKWFQNBGLBWYNZ-MRVPVSSYSA-N -1 1 353.106 2.476 20 0 FEADMM COCc1nc(C(=O)[N-]c2cccnc2SCCC(=O)OC)co1 ZINC000548287939 673947470 /nfs/dbraw/zinc/94/74/70/673947470.db2.gz JIIIMTBQZFDILF-UHFFFAOYSA-N -1 1 351.384 2.124 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])o1 ZINC000548527686 673965766 /nfs/dbraw/zinc/96/57/66/673965766.db2.gz 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O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1cc2[nH]cnc2cc1F ZINC000820446582 675363056 /nfs/dbraw/zinc/36/30/56/675363056.db2.gz QPPITXSCBXCHBL-UHFFFAOYSA-N -1 1 353.297 2.104 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)c2ncc(Cl)n2C)c1 ZINC000820486138 675365378 /nfs/dbraw/zinc/36/53/78/675365378.db2.gz GIXMWEUFCBPRFJ-SDWAUSNYSA-N -1 1 356.831 2.494 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000568437391 675373795 /nfs/dbraw/zinc/37/37/95/675373795.db2.gz DIPYRRZPSMNYPX-NSHDSACASA-N -1 1 355.309 2.232 20 0 FEADMM CSC1(C[N-]S(=O)(=O)c2nc3ccccc3s2)CCOCC1 ZINC000568625011 675387357 /nfs/dbraw/zinc/38/73/57/675387357.db2.gz VGHZVGHIUCHXFF-UHFFFAOYSA-N -1 1 358.510 2.487 20 0 FEADMM CS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000568641122 675388560 /nfs/dbraw/zinc/38/85/60/675388560.db2.gz DWYBPUNKJBCHHR-IBGZPJMESA-N -1 1 359.447 2.318 20 0 FEADMM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000820795154 675389148 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O=c1ccccn1-c1ccc([N-]S(=O)(=O)CCOCC2CC2)c(F)c1 ZINC000656633997 677797181 /nfs/dbraw/zinc/79/71/81/677797181.db2.gz RZWQJTGKAQGIBZ-UHFFFAOYSA-N -1 1 366.414 2.145 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1CCN(C)C2=O)C1CCCC1 ZINC000656635707 677798315 /nfs/dbraw/zinc/79/83/15/677798315.db2.gz CWSHMDPZJBLKQE-KRWDZBQOSA-N -1 1 366.483 2.262 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1 ZINC000656643440 677799806 /nfs/dbraw/zinc/79/98/06/677799806.db2.gz GNYBFHQGABSGNB-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000656730801 677820395 /nfs/dbraw/zinc/82/03/95/677820395.db2.gz JTTSTXHACDVRFR-HUUCEWRRSA-N -1 1 365.455 2.178 20 0 FEADMM CNC(=S)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000761831057 680732391 /nfs/dbraw/zinc/73/23/91/680732391.db2.gz RBJUKWAVHKVLBY-UHFFFAOYSA-N -1 1 353.444 2.220 20 0 FEADMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656908360 677862835 /nfs/dbraw/zinc/86/28/35/677862835.db2.gz SLMOZHFBSGMOSP-QMMMGPOBSA-N -1 1 374.260 2.358 20 0 FEADMM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656917371 677866969 /nfs/dbraw/zinc/86/69/69/677866969.db2.gz FOMNWFNFMNOJSB-LLVKDONJSA-N -1 1 372.288 2.482 20 0 FEADMM CCn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)nn1 ZINC000657121049 677953273 /nfs/dbraw/zinc/95/32/73/677953273.db2.gz OUZOZEXJGSNWES-UHFFFAOYSA-N -1 1 368.768 2.449 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCC2CCC2)c(F)c1 ZINC000657154505 677964525 /nfs/dbraw/zinc/96/45/25/677964525.db2.gz ATCOKRRUGBTKLJ-UHFFFAOYSA-N -1 1 364.464 2.056 20 0 FEADMM CCc1nc(SCc2ccc(S(=O)(=O)NC)cc2)[n-]c(=O)c1C ZINC000657264227 677990001 /nfs/dbraw/zinc/99/00/01/677990001.db2.gz KORPZKSWKNXXIP-UHFFFAOYSA-N -1 1 353.469 2.253 20 0 FEADMM COc1ccc(C[C@@H](CO)CNC(=O)c2c([O-])cccc2Cl)cc1O ZINC000762553940 680753783 /nfs/dbraw/zinc/75/37/83/680753783.db2.gz DSSGXVKWGBHNHG-GFCCVEGCSA-N -1 1 365.813 2.341 20 0 FEADMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000660109170 678283922 /nfs/dbraw/zinc/28/39/22/678283922.db2.gz ZVUCRIJAEGDQMV-UHFFFAOYSA-N -1 1 352.334 2.220 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)s1 ZINC000763495044 680784446 /nfs/dbraw/zinc/78/44/46/680784446.db2.gz QLCJDSMTRYPROL-UHFFFAOYSA-N -1 1 366.512 2.258 20 0 FEADMM COc1ccccc1SCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000763793524 680792427 /nfs/dbraw/zinc/79/24/27/680792427.db2.gz AKYMJYGWMCYNML-UHFFFAOYSA-N -1 1 359.403 2.287 20 0 FEADMM COCCn1cc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cn1 ZINC000663261856 678710561 /nfs/dbraw/zinc/71/05/61/678710561.db2.gz NIVYZZCONGSIEG-AWEZNQCLSA-N -1 1 357.332 2.464 20 0 FEADMM CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3ccccc3N(C)C)cc2C1 ZINC000663299903 678720783 /nfs/dbraw/zinc/72/07/83/678720783.db2.gz SDSQAMNYPMMPNR-UHFFFAOYSA-N -1 1 359.451 2.416 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)ccc1F ZINC000665305281 678951622 /nfs/dbraw/zinc/95/16/22/678951622.db2.gz SJOINPRRZMXNGI-HNNXBMFYSA-N -1 1 351.422 2.187 20 0 FEADMM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000667756559 679126287 /nfs/dbraw/zinc/12/62/87/679126287.db2.gz YYCWVGYKGRJHHC-AWEZNQCLSA-N -1 1 359.451 2.324 20 0 FEADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000669470510 679237447 /nfs/dbraw/zinc/23/74/47/679237447.db2.gz LRLODKDYUXNOMK-QGZVFWFLSA-N -1 1 363.435 2.404 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)no1 ZINC000671174310 679314478 /nfs/dbraw/zinc/31/44/78/679314478.db2.gz ZGKVIRSYGLPKPI-CQSZACIVSA-N -1 1 374.409 2.403 20 0 FEADMM O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000672087761 679357045 /nfs/dbraw/zinc/35/70/45/679357045.db2.gz IMLOVHHNFMAUAL-JTQLQIEISA-N -1 1 362.323 2.452 20 0 FEADMM O=c1cc(/C=C\c2cnn(Cc3ccccc3Cl)c2)nc2nc[n-]n21 ZINC000672775457 679392398 /nfs/dbraw/zinc/39/23/98/679392398.db2.gz MZFGIAXOGGGPMG-WAYWQWQTSA-N -1 1 352.785 2.486 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1(CO)CC1 ZINC000673496046 679431351 /nfs/dbraw/zinc/43/13/51/679431351.db2.gz LNLJAYKAQAUOLD-UHFFFAOYSA-N -1 1 360.435 2.084 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)c1 ZINC000676236408 679620307 /nfs/dbraw/zinc/62/03/07/679620307.db2.gz QYALBKXRNYXGDI-UHFFFAOYSA-N -1 1 363.439 2.036 20 0 FEADMM Cc1cccc(C)c1OC[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000676850962 679644968 /nfs/dbraw/zinc/64/49/68/679644968.db2.gz KNZGAZUFWYEYLX-CYBMUJFWSA-N -1 1 371.405 2.300 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c(F)c1 ZINC000676859696 679645933 /nfs/dbraw/zinc/64/59/33/679645933.db2.gz OUHNTAHNWUBSPF-AWEZNQCLSA-N -1 1 361.341 2.124 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000747688797 679896625 /nfs/dbraw/zinc/89/66/25/679896625.db2.gz OCSFBXDSIZKIOV-VIFPVBQESA-N -1 1 356.400 2.391 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCc2c(F)cccc2Cl)o1 ZINC000747688473 679896651 /nfs/dbraw/zinc/89/66/51/679896651.db2.gz LTRYCNSDEKRZQI-UHFFFAOYSA-N -1 1 361.778 2.380 20 0 FEADMM CC1(C)COc2c1cccc2C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831129869 679929343 /nfs/dbraw/zinc/92/93/43/679929343.db2.gz LLFVZBVOOJAMTB-UHFFFAOYSA-N -1 1 356.344 2.107 20 0 FEADMM CC(C)Oc1cccc(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831149222 679934456 /nfs/dbraw/zinc/93/44/56/679934456.db2.gz LSVZJHZOHDFHQN-UHFFFAOYSA-N -1 1 358.360 2.153 20 0 FEADMM CC(C)(Oc1ccc(F)cc1)C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831154563 679936051 /nfs/dbraw/zinc/93/60/51/679936051.db2.gz WHHTYYBEGGGEJN-UHFFFAOYSA-N -1 1 362.323 2.120 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000831391841 679976773 /nfs/dbraw/zinc/97/67/73/679976773.db2.gz XYNSJIARERLHGS-CMPLNLGQSA-N -1 1 356.348 2.299 20 0 FEADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)CS(C)(=O)=O ZINC000831499108 679993401 /nfs/dbraw/zinc/99/34/01/679993401.db2.gz MWNFJJYBMHUBIR-UHFFFAOYSA-N -1 1 353.362 2.212 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)c1 ZINC000749155628 680024041 /nfs/dbraw/zinc/02/40/41/680024041.db2.gz YCXDWPRNDPVOIB-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)c(F)cc1Cl ZINC000831878089 680056359 /nfs/dbraw/zinc/05/63/59/680056359.db2.gz WFMOEHKGSIMHDY-GFCCVEGCSA-N -1 1 365.810 2.112 20 0 FEADMM Cn1c(COC(=O)c2sccc2[N-]S(C)(=O)=O)nc2ccccc21 ZINC000750131894 680102391 /nfs/dbraw/zinc/10/23/91/680102391.db2.gz NFMUQHBCAJZOHC-UHFFFAOYSA-N -1 1 365.436 2.363 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000750134698 680102788 /nfs/dbraw/zinc/10/27/88/680102788.db2.gz SUFIWQLTXBPMII-FPJCUDJDSA-N -1 1 353.488 2.424 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000912030989 685302209 /nfs/dbraw/zinc/30/22/09/685302209.db2.gz KNDXYCGBSNSOIJ-INIZCTEOSA-N -1 1 367.515 2.251 20 0 FEADMM O=S(=O)([N-][C@H]1CCc2cc(F)c(F)c(F)c21)c1c[nH]nc1Cl ZINC000832455470 680136174 /nfs/dbraw/zinc/13/61/74/680136174.db2.gz IXFHQRBBCUVYSB-ZETCQYMHSA-N -1 1 351.737 2.446 20 0 FEADMM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)c1 ZINC000832505372 680141075 /nfs/dbraw/zinc/14/10/75/680141075.db2.gz GBFLDLJIXXUKKT-HAQNSBGRSA-N -1 1 355.847 2.307 20 0 FEADMM C[N@@H+](CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-])C1CCCCC1 ZINC000751209995 680159811 /nfs/dbraw/zinc/15/98/11/680159811.db2.gz MCXAARLOROFOED-UHFFFAOYSA-N -1 1 370.471 2.023 20 0 FEADMM O=C([O-])C[C@H]1CCCN1Cn1c(=O)oc2cc(Br)ccc21 ZINC000833211462 680190421 /nfs/dbraw/zinc/19/04/21/680190421.db2.gz IECMJKIHOGBPMO-SNVBAGLBSA-N -1 1 355.188 2.254 20 0 FEADMM Cc1cc(N2CC[C@H](OC(=O)c3cc(F)cc(Cl)c3[O-])C2=O)n(C)n1 ZINC000751731555 680196940 /nfs/dbraw/zinc/19/69/40/680196940.db2.gz JVRYJWONYHWUFI-LBPRGKRZSA-N -1 1 367.764 2.189 20 0 FEADMM O=C(c1occc1Cl)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001022612570 680224679 /nfs/dbraw/zinc/22/46/79/680224679.db2.gz XUUDRHQQQMNMQA-CMPLNLGQSA-N -1 1 361.785 2.020 20 0 FEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)o1)c1ncccc1[O-] ZINC000996145653 680320833 /nfs/dbraw/zinc/32/08/33/680320833.db2.gz UMGAYRQIWLVYAU-VWYCJHECSA-N -1 1 361.785 2.209 20 0 FEADMM CC(C)[C@@H](F)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000984000260 680340202 /nfs/dbraw/zinc/34/02/02/680340202.db2.gz WXBJMHOIERGSDB-VNHYZAJKSA-N -1 1 351.422 2.138 20 0 FEADMM O=C([N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)c1ccc(-c2nnc[nH]2)cc1 ZINC000835564377 680350924 /nfs/dbraw/zinc/35/09/24/680350924.db2.gz QNLKJODTAPWCMR-KOHJWAIASA-N -1 1 360.439 2.110 20 0 FEADMM CN1CCN(C(=O)c2cccc(I)c2[O-])C(C)(C)C1 ZINC000755677664 680428187 /nfs/dbraw/zinc/42/81/87/680428187.db2.gz GDHFPTGMEAKFNM-UHFFFAOYSA-N -1 1 374.222 2.163 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N(C)CC(C)(C)O)c1 ZINC000836738811 680505874 /nfs/dbraw/zinc/50/58/74/680505874.db2.gz PPQLPNVBWHECOG-UHFFFAOYSA-N -1 1 361.364 2.408 20 0 FEADMM CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000758163236 680558268 /nfs/dbraw/zinc/55/82/68/680558268.db2.gz FIGPJBPLZYHHCX-UHFFFAOYSA-N -1 1 371.317 2.372 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c(F)c1 ZINC000758437391 680579612 /nfs/dbraw/zinc/57/96/12/680579612.db2.gz GZJOCXCKUILXLR-SECBINFHSA-N -1 1 355.453 2.100 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1occc1Cl ZINC001005884988 680586911 /nfs/dbraw/zinc/58/69/11/680586911.db2.gz SFTJMUJPNNZQAQ-JLLWLGSASA-N -1 1 361.785 2.209 20 0 FEADMM CCOC(Cn1cc(C(=O)Nc2nc(Cl)ccc2[O-])cn1)OCC ZINC000837577585 680621744 /nfs/dbraw/zinc/62/17/44/680621744.db2.gz XJYOIOJRZDCDFK-UHFFFAOYSA-N -1 1 354.794 2.289 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1ccccc1N1CCN(C)CC1 ZINC000760311650 680682540 /nfs/dbraw/zinc/68/25/40/680682540.db2.gz VBYFCCDTKKYXMA-UHFFFAOYSA-N -1 1 367.496 2.309 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)ccc1F ZINC000760321055 680682922 /nfs/dbraw/zinc/68/29/22/680682922.db2.gz PXVHQOBWIYOLIB-UHFFFAOYSA-N -1 1 353.375 2.322 20 0 FEADMM Cc1cc(S(=O)(=O)NCCN2CCCC(C)(C)C2)cc(C(=O)[O-])c1F ZINC000766353744 680874494 /nfs/dbraw/zinc/87/44/94/680874494.db2.gz ZJYMHPGCVCVBHK-UHFFFAOYSA-N -1 1 372.462 2.233 20 0 FEADMM CC1(C)CCCN(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000766353629 680874526 /nfs/dbraw/zinc/87/45/26/680874526.db2.gz YSKULJHUJISBCZ-UHFFFAOYSA-N -1 1 374.890 2.439 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)c(F)cc1Cl ZINC000841533003 680893303 /nfs/dbraw/zinc/89/33/03/680893303.db2.gz BGCMTWMFSHVIID-DTWKUNHWSA-N -1 1 365.810 2.112 20 0 FEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000767298715 680906429 /nfs/dbraw/zinc/90/64/29/680906429.db2.gz RTJGESUCBFCICO-SNVBAGLBSA-N -1 1 352.387 2.394 20 0 FEADMM COC(=O)c1ccc(C(=O)COC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000768650407 680954022 /nfs/dbraw/zinc/95/40/22/680954022.db2.gz JUGASFITKUSOCL-UHFFFAOYSA-N -1 1 350.273 2.497 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C)c2ccc(OC)cc2)co1 ZINC000768828340 680960089 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CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1([C@H](O)c2ccccc2)CC1 ZINC000872467974 684957310 /nfs/dbraw/zinc/95/73/10/684957310.db2.gz ZIXPSJQEEFRIQS-QKFKETGDSA-N -1 1 374.528 2.231 20 0 FEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC000872484949 684962228 /nfs/dbraw/zinc/96/22/28/684962228.db2.gz VIRHVQUWFRKYHZ-JOCHJYFZSA-N -1 1 357.501 2.441 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000910905584 685137755 /nfs/dbraw/zinc/13/77/55/685137755.db2.gz QHARKHBLVMXSFB-SNVBAGLBSA-N -1 1 359.279 2.302 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1cc(F)cc(F)c1[O-] ZINC000910984436 685146432 /nfs/dbraw/zinc/14/64/32/685146432.db2.gz PHNFIQCRGIDDGK-DYEKYZERSA-N -1 1 371.409 2.335 20 0 FEADMM O=C([O-])C12CCC(C(=O)N[C@@H]3CCCN4CCSC[C@H]34)(CC1)CC2 ZINC000910987876 685146988 /nfs/dbraw/zinc/14/69/88/685146988.db2.gz OUAZIXCZCROFPI-JDPPGYRCSA-N -1 1 352.500 2.108 20 0 FEADMM O=C([O-])c1cnc(CCNC(=O)[C@H]2CCCN2Cc2ccccc2)s1 ZINC000911006875 685149661 /nfs/dbraw/zinc/14/96/61/685149661.db2.gz YYONDGJXDYYNSE-CQSZACIVSA-N -1 1 359.451 2.165 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2sccc2C(F)F)CCC1 ZINC000873542374 685154512 /nfs/dbraw/zinc/15/45/12/685154512.db2.gz OKWADDCGLLQKCH-UHFFFAOYSA-N -1 1 352.428 2.230 20 0 FEADMM CC[N@H+]1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1cc(O)ccc1Cl ZINC000911283927 685193506 /nfs/dbraw/zinc/19/35/06/685193506.db2.gz DHZIYAYJQIXBBX-LBPRGKRZSA-N -1 1 354.834 2.447 20 0 FEADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000875117302 685735409 /nfs/dbraw/zinc/73/54/09/685735409.db2.gz FFBLWYRGOUTEET-BXKDBHETSA-N -1 1 359.348 2.223 20 0 FEADMM COc1ccc([C@@H](C)NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000875178644 685749522 /nfs/dbraw/zinc/74/95/22/685749522.db2.gz QCEIWDFBQNLNFK-SNVBAGLBSA-N -1 1 359.348 2.076 20 0 FEADMM Cc1cccc(C)c1CCNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875390953 685800989 /nfs/dbraw/zinc/80/09/89/685800989.db2.gz KDELKDNQBBKVAW-UHFFFAOYSA-N -1 1 357.376 2.166 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2F)cc1[N-]S(C)(=O)=O ZINC000876006300 686114383 /nfs/dbraw/zinc/11/43/83/686114383.db2.gz UIBOAIJNJBKVON-NWDGAFQWSA-N -1 1 359.423 2.469 20 0 FEADMM CCN(C(=O)NCc1ccc([O-])c(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000876394085 686195431 /nfs/dbraw/zinc/19/54/31/686195431.db2.gz QCIYVQSJDMGYDE-LLVKDONJSA-N -1 1 362.879 2.400 20 0 FEADMM CNC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876397992 686196901 /nfs/dbraw/zinc/19/69/01/686196901.db2.gz BKNLXEZUZYKZJM-LBPRGKRZSA-N -1 1 354.838 2.039 20 0 FEADMM CN(Cc1ncnn1CC(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876397215 686197038 /nfs/dbraw/zinc/19/70/38/686197038.db2.gz YKPLGIKCNLXXGD-UHFFFAOYSA-N -1 1 359.764 2.244 20 0 FEADMM CCOC(=O)c1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)[nH]1 ZINC000877642694 686428448 /nfs/dbraw/zinc/42/84/48/686428448.db2.gz RAYOXYSGIBHERD-MFKMUULPSA-N -1 1 361.364 2.080 20 0 FEADMM CCOCc1cccc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000878547841 686605726 /nfs/dbraw/zinc/60/57/26/686605726.db2.gz AZCCIVFFIBHFHF-UHFFFAOYSA-N -1 1 359.348 2.365 20 0 FEADMM CC(=O)c1cc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000879539538 686848590 /nfs/dbraw/zinc/84/85/90/686848590.db2.gz IDXVDZJIUXCBKU-UHFFFAOYSA-N -1 1 361.295 2.171 20 0 FEADMM Cc1ccc(C)c(NC(=O)CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000879763808 686903802 /nfs/dbraw/zinc/90/38/02/686903802.db2.gz HSKMBYAWYHIUSB-INIZCTEOSA-N -1 1 357.376 2.385 20 0 FEADMM Cc1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nc(C)n1 ZINC000880296656 687028351 /nfs/dbraw/zinc/02/83/51/687028351.db2.gz FPGNZYGOUNRGQP-NSHDSACASA-N -1 1 359.352 2.016 20 0 FEADMM Cc1cc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc(C)n1 ZINC000880299717 687028723 /nfs/dbraw/zinc/02/87/23/687028723.db2.gz KJVDKGMSWPIMOH-UHFFFAOYSA-N -1 1 359.352 2.016 20 0 FEADMM CSc1nc(CNC(=O)c2c(C(F)F)nc3n2CCCC3)cc(=O)[n-]1 ZINC000880651315 687071184 /nfs/dbraw/zinc/07/11/84/687071184.db2.gz LUPDHGDVEIKYLI-UHFFFAOYSA-N -1 1 369.397 2.305 20 0 FEADMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881922439 687261321 /nfs/dbraw/zinc/26/13/21/687261321.db2.gz NUGGOXPHVDLGON-CBAPKCEASA-N -1 1 360.785 2.439 20 0 FEADMM Cc1cccnc1CC[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882235355 687331430 /nfs/dbraw/zinc/33/14/30/687331430.db2.gz NGQCSQZCKLDEOB-QFIPXVFZSA-N -1 1 359.517 2.197 20 0 FEADMM O=S(=O)([N-][C@H]1CCC[C@H]1CO)c1cnc(Cl)cc1C(F)(F)F ZINC000882243060 687333387 /nfs/dbraw/zinc/33/33/87/687333387.db2.gz ZSSUCHLOSGQWOS-CBAPKCEASA-N -1 1 358.769 2.193 20 0 FEADMM CCOC(=O)CCc1c(C)nc(SCN(C)C(=O)C(C)C)[n-]c1=O ZINC000882285577 687341487 /nfs/dbraw/zinc/34/14/87/687341487.db2.gz UPITVLHFDKQAKD-UHFFFAOYSA-N -1 1 355.460 2.150 20 0 FEADMM CCCCN1Cc2cccc([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)c2C1 ZINC000882692548 687444180 /nfs/dbraw/zinc/44/41/80/687444180.db2.gz OUMLVXVXLMFXCJ-HSZRJFAPSA-N -1 1 374.532 2.033 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1ncccc1Br)[C@@H]1CCCOC1 ZINC000882761921 687477250 /nfs/dbraw/zinc/47/72/50/687477250.db2.gz NPTHGVJWZVUNSX-ZYHUDNBSSA-N -1 1 363.277 2.328 20 0 FEADMM Cn1cc(Cl)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000882797201 687495821 /nfs/dbraw/zinc/49/58/21/687495821.db2.gz AKEQSJNIBHSAOY-UHFFFAOYSA-N -1 1 354.819 2.001 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](O)CC2(CCOCC2)C1 ZINC000882966513 687536385 /nfs/dbraw/zinc/53/63/85/687536385.db2.gz HEBOWHCBODXCTO-GFCCVEGCSA-N -1 1 370.243 2.158 20 0 FEADMM COC(=O)CCN(CC(=O)[O-])Cc1sc2nc(C)nc(C)c2c1C ZINC000883519984 687657428 /nfs/dbraw/zinc/65/74/28/687657428.db2.gz KGMFXYWALPCQFG-UHFFFAOYSA-N -1 1 351.428 2.066 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC[C@H]2CCC(C)(C)CO2)C1 ZINC000883795383 687729631 /nfs/dbraw/zinc/72/96/31/687729631.db2.gz AHVJVMVFLCCYGW-IAQYHMDHSA-N -1 1 365.396 2.044 20 0 FEADMM CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000884745745 687915683 /nfs/dbraw/zinc/91/56/83/687915683.db2.gz HJDZSQVEAFQAED-UHFFFAOYSA-N -1 1 360.332 2.443 20 0 FEADMM COC(=O)c1cnc([C@@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)s1 ZINC000884763263 687924931 /nfs/dbraw/zinc/92/49/31/687924931.db2.gz JENQNGQYUMBDOO-SNVBAGLBSA-N -1 1 350.371 2.404 20 0 FEADMM COc1ccc(CC[N-]S(=O)(=O)c2ccns2)cc1OC(F)F ZINC000884993891 687985862 /nfs/dbraw/zinc/98/58/62/687985862.db2.gz LUEXNRCWTXDIEQ-UHFFFAOYSA-N -1 1 364.395 2.274 20 0 FEADMM O=C1CCCc2cc(Cl)c(S(=O)(=O)[N-]C(CF)CF)cc2N1 ZINC000885414024 688069408 /nfs/dbraw/zinc/06/94/08/688069408.db2.gz POUWNAQNPUZEMI-UHFFFAOYSA-N -1 1 352.790 2.201 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C[C@@H]1CCCO1)c1ccc(Cl)c(F)c1Cl ZINC000885523100 688093112 /nfs/dbraw/zinc/09/31/12/688093112.db2.gz GCFPNEIRXAFPBX-BDAKNGLRSA-N -1 1 372.245 2.341 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC[C@H]2CCC3(CCOCC3)CO2)sc1C ZINC000885672071 688120269 /nfs/dbraw/zinc/12/02/69/688120269.db2.gz CLZIMOWVMLOXDJ-CQSZACIVSA-N -1 1 374.528 2.404 20 0 FEADMM CCOC(=O)[C@](C)([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1ccccc1 ZINC000885843203 688166679 /nfs/dbraw/zinc/16/66/79/688166679.db2.gz WJJOWQNJPKAEEE-LSDHHAIUSA-N -1 1 361.410 2.430 20 0 FEADMM Cn1ncc(Br)c1CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886271585 688223593 /nfs/dbraw/zinc/22/35/93/688223593.db2.gz NVAFNMBFFKJPBF-UHFFFAOYSA-N -1 1 374.185 2.068 20 0 FEADMM CC[C@](O)(CCC(F)(F)F)CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000887514448 688441530 /nfs/dbraw/zinc/44/15/30/688441530.db2.gz PMISWPMZONYTKQ-ZDUSSCGKSA-N -1 1 367.393 2.426 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000887836436 688502570 /nfs/dbraw/zinc/50/25/70/688502570.db2.gz NWRRUFXMADOEPJ-WVWOOGAGSA-N -1 1 367.471 2.480 20 0 FEADMM COC(=O)[C@H]1CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000888068599 688544053 /nfs/dbraw/zinc/54/40/53/688544053.db2.gz NFNSKYJCAFGCGL-SNVBAGLBSA-N -1 1 365.183 2.090 20 0 FEADMM COc1cc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000888518061 688632736 /nfs/dbraw/zinc/63/27/36/688632736.db2.gz VIRABXYMZWACFV-ZDUSSCGKSA-N -1 1 373.858 2.094 20 0 FEADMM COc1cnc([C@H]2CCCN2C(=O)C[C@@H]2CSCCS2)[n-]c1=O ZINC000889789623 688829131 /nfs/dbraw/zinc/82/91/31/688829131.db2.gz HZBDWSSOLRCMLO-GHMZBOCLSA-N -1 1 355.485 2.093 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890686393 688955070 /nfs/dbraw/zinc/95/50/70/688955070.db2.gz HBGRMBFGJYGKJW-WDEREUQCSA-N -1 1 369.190 2.248 20 0 FEADMM C[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1ccc(C(F)(F)F)n1 ZINC000891614161 689083512 /nfs/dbraw/zinc/08/35/12/689083512.db2.gz LGKLULRQRSUTMN-MRVPVSSYSA-N -1 1 355.320 2.476 20 0 FEADMM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615791 689083917 /nfs/dbraw/zinc/08/39/17/689083917.db2.gz URLBRAQADRRCPW-UHFFFAOYSA-N -1 1 355.320 2.223 20 0 FEADMM CCN1CC[C@@H]1CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000893872478 689421354 /nfs/dbraw/zinc/42/13/54/689421354.db2.gz TVNJAAAPMCXRJO-OAHLLOKOSA-N -1 1 361.467 2.035 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CC3(CCC3)CO2)c(=O)[n-]1 ZINC000894413307 689527190 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CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900506932 690525359 /nfs/dbraw/zinc/52/53/59/690525359.db2.gz MJTWAPFOZLBYTC-LBPRGKRZSA-N -1 1 363.414 2.073 20 0 FEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000900564959 690533116 /nfs/dbraw/zinc/53/31/16/690533116.db2.gz DUKJXCPQYUGSNW-ZDUSSCGKSA-N -1 1 361.419 2.043 20 0 FEADMM Cc1nc(N[C@H](C)CN2CCN(c3ccccn3)CC2)sc1C(=O)[O-] ZINC000900940114 690590871 /nfs/dbraw/zinc/59/08/71/690590871.db2.gz DMIJAYCUVRXMLD-GFCCVEGCSA-N -1 1 361.471 2.167 20 0 FEADMM Cn1nc(Br)cc1CN[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000901665535 690675696 /nfs/dbraw/zinc/67/56/96/690675696.db2.gz ILKDNSQPTZATAP-OAHLLOKOSA-N -1 1 350.216 2.199 20 0 FEADMM CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1 ZINC000901710762 690682391 /nfs/dbraw/zinc/68/23/91/690682391.db2.gz LTONGGZWHYCZJI-UHFFFAOYSA-N -1 1 354.819 2.413 20 0 FEADMM COc1ccc([C@@H](NCc2cnc(N(C)C)nc2)C(=O)[O-])cc1Cl ZINC000901847834 690701775 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O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1ccc(F)c(F)c1F ZINC000047407110 540308006 /nfs/dbraw/zinc/30/80/06/540308006.db2.gz ZOGGZJSQHUJNOE-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM Cn1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cn1 ZINC000047529941 540316553 /nfs/dbraw/zinc/31/65/53/540316553.db2.gz XZNSLTQVQFNZRP-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(C)c1 ZINC000050530283 540407259 /nfs/dbraw/zinc/40/72/59/540407259.db2.gz PUPUIVGFDVSSTH-UHFFFAOYSA-N -1 1 363.391 2.354 20 0 FEADMM COc1cc(NC(=O)c2cc(C(C)C)[nH]n2)ccc1[N-]S(C)(=O)=O ZINC000052609699 540477369 /nfs/dbraw/zinc/47/73/69/540477369.db2.gz QRLNHYFEPQDVCB-UHFFFAOYSA-N -1 1 352.416 2.166 20 0 FEADMM Cc1sc(=O)n(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000055166455 540632229 /nfs/dbraw/zinc/63/22/29/540632229.db2.gz IJEFCQBTRMDFTO-UHFFFAOYSA-N -1 1 374.462 2.354 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1F ZINC000055619034 540664412 /nfs/dbraw/zinc/66/44/12/540664412.db2.gz IMHGHTUYBYCENZ-UHFFFAOYSA-N -1 1 352.343 2.080 20 0 FEADMM COc1cc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc(OC)c1OC ZINC000056063853 540698673 /nfs/dbraw/zinc/69/86/73/540698673.db2.gz QIVUHVPZHSUZRF-SECBINFHSA-N -1 1 370.427 2.357 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)CCc1ccco1 ZINC000056157893 540708705 /nfs/dbraw/zinc/70/87/05/540708705.db2.gz KSLGLXUTZMADFH-CYBMUJFWSA-N -1 1 366.421 2.413 20 0 FEADMM CC[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]C)o3)sc2C1 ZINC000057180317 540776703 /nfs/dbraw/zinc/77/67/03/540776703.db2.gz HUNVUFGNHBOTGE-VIFPVBQESA-N -1 1 369.468 2.411 20 0 FEADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000057123625 540770131 /nfs/dbraw/zinc/77/01/31/540770131.db2.gz BBEIWPRWZPUFGV-LLVKDONJSA-N -1 1 351.428 2.102 20 0 FEADMM CC(C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000060168643 540869524 /nfs/dbraw/zinc/86/95/24/540869524.db2.gz ZJGQRPDEGDAXER-UHFFFAOYSA-N -1 1 355.232 2.095 20 0 FEADMM CNC(=O)C1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000063341333 541165346 /nfs/dbraw/zinc/16/53/46/541165346.db2.gz IEQMJKKGYKCEJK-UHFFFAOYSA-N -1 1 355.232 2.189 20 0 FEADMM O=C1CCC(=O)N1Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000063443635 541168148 /nfs/dbraw/zinc/16/81/48/541168148.db2.gz NHDQRJNSQSNMKH-UHFFFAOYSA-N -1 1 362.382 2.276 20 0 FEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cncc(F)c2)CC1 ZINC000063519298 541172031 /nfs/dbraw/zinc/17/20/31/541172031.db2.gz MJCXHMKXGRMALY-UHFFFAOYSA-N -1 1 364.446 2.163 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)ccc1O ZINC000063182088 541158245 /nfs/dbraw/zinc/15/82/45/541158245.db2.gz JQFUOAAKRKDGMU-UHFFFAOYSA-N -1 1 373.390 2.370 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1F ZINC000063879646 541190830 /nfs/dbraw/zinc/19/08/30/541190830.db2.gz JRLBLUVATMHRKQ-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1 ZINC000064475357 541207683 /nfs/dbraw/zinc/20/76/83/541207683.db2.gz CYZKZRVOIJZFHC-UHFFFAOYSA-N -1 1 362.411 2.327 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)OCC2CC2)c1 ZINC000064722488 541215672 /nfs/dbraw/zinc/21/56/72/541215672.db2.gz IHQMPDHIUBDNPJ-LBPRGKRZSA-N -1 1 370.471 2.176 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(N(C)C(C)=O)cc2)c(=O)[n-]1 ZINC000065806844 541263034 /nfs/dbraw/zinc/26/30/34/541263034.db2.gz LLLOLPIBWJUKQW-UHFFFAOYSA-N -1 1 374.466 2.354 20 0 FEADMM COc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc(OC)c1OC ZINC000066639216 541352476 /nfs/dbraw/zinc/35/24/76/541352476.db2.gz NOLSFKSVBKVEJX-UHFFFAOYSA-N -1 1 366.443 2.477 20 0 FEADMM Cc1cccc(C(=O)N[C@H](C)C(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000066650038 541355495 /nfs/dbraw/zinc/35/54/95/541355495.db2.gz VRLJVCGFUBXYES-GFCCVEGCSA-N -1 1 361.471 2.265 20 0 FEADMM CC(C)n1c(CNC(=O)c2cccc(C[S@@](C)=O)c2)n[n-]c1=S ZINC000066650196 541355736 /nfs/dbraw/zinc/35/57/36/541355736.db2.gz TYZFSQSUNDJGCW-QHCPKHFHSA-N -1 1 352.485 2.330 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000542200326 541356851 /nfs/dbraw/zinc/35/68/51/541356851.db2.gz FZNBYGDVUXUOLY-UHFFFAOYSA-N -1 1 370.413 2.250 20 0 FEADMM CNC(=O)c1ccc(C=CC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000067072091 541413957 /nfs/dbraw/zinc/41/39/57/541413957.db2.gz HLKQPKCHCHWXQT-RMKNXTFCSA-N -1 1 359.455 2.211 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n[n-]c1=S ZINC000067071940 541414049 /nfs/dbraw/zinc/41/40/49/541414049.db2.gz IIZRSPPMSDGHEP-ZDUSSCGKSA-N -1 1 363.418 2.470 20 0 FEADMM Cc1[nH]c(=S)sc1CC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079540 541414528 /nfs/dbraw/zinc/41/45/28/541414528.db2.gz CNAIIUMACXBXDF-UHFFFAOYSA-N -1 1 355.514 2.231 20 0 FEADMM CCN(C)C(=O)c1cccc(C(=O)NCCc2n[n-]c(=S)n2CC)c1 ZINC000067076527 541414676 /nfs/dbraw/zinc/41/46/76/541414676.db2.gz DSIZRVUAKJMOET-UHFFFAOYSA-N -1 1 361.471 2.025 20 0 FEADMM CCCOc1ccc(OCC(=O)NCCc2n[n-]c(=S)n2CC)cc1 ZINC000067076380 541414735 /nfs/dbraw/zinc/41/47/35/541414735.db2.gz RFYYHDZNPUVLGH-UHFFFAOYSA-N -1 1 364.471 2.487 20 0 FEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000067124160 541420522 /nfs/dbraw/zinc/42/05/22/541420522.db2.gz VHXPPPGPSAFRKB-UHFFFAOYSA-N -1 1 357.794 2.448 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1S(N)(=O)=O ZINC000067124729 541421224 /nfs/dbraw/zinc/42/12/24/541421224.db2.gz CUEKBSXYFZPZMF-UHFFFAOYSA-N -1 1 372.443 2.145 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(c2ncccc2Cl)CC1 ZINC000067540151 541477105 /nfs/dbraw/zinc/47/71/05/541477105.db2.gz NTAQCOMQSFLVNM-UHFFFAOYSA-N -1 1 369.812 2.346 20 0 FEADMM CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000067594832 541485978 /nfs/dbraw/zinc/48/59/78/541485978.db2.gz QHSQMWNXLMSDQC-NSHDSACASA-N -1 1 355.232 2.143 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)CCOc2ccc(C=O)cc2)CC1 ZINC000068426952 541589777 /nfs/dbraw/zinc/58/97/77/541589777.db2.gz PLFDLOHPEZLMHD-UHFFFAOYSA-N -1 1 374.466 2.465 20 0 FEADMM C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426992 541589842 /nfs/dbraw/zinc/58/98/42/541589842.db2.gz IEFRLOATHRXEOX-TZMCWYRMSA-N -1 1 368.503 2.158 20 0 FEADMM NC(=O)c1cccc(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)c1 ZINC000068424876 541589882 /nfs/dbraw/zinc/58/98/82/541589882.db2.gz XWAILJWQYPOAGI-UHFFFAOYSA-N -1 1 371.466 2.394 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000068437627 541592017 /nfs/dbraw/zinc/59/20/17/541592017.db2.gz WGDRABGLDGADTP-UHFFFAOYSA-N -1 1 361.423 2.216 20 0 FEADMM CC(=O)N(C)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000068967484 541645119 /nfs/dbraw/zinc/64/51/19/541645119.db2.gz YGLOLFBSDXBUOH-UHFFFAOYSA-N -1 1 355.232 2.238 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1C ZINC000071081889 541762837 /nfs/dbraw/zinc/76/28/37/541762837.db2.gz GHRBZHDUZZOBSO-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000071091571 541763614 /nfs/dbraw/zinc/76/36/14/541763614.db2.gz XKUDRNMJNVWPBF-UHFFFAOYSA-N -1 1 360.391 2.159 20 0 FEADMM Cn1cc(C(=O)COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])cn1 ZINC000801375931 674124668 /nfs/dbraw/zinc/12/46/68/674124668.db2.gz SRBDMZQERIRVQH-UHFFFAOYSA-N -1 1 360.757 2.005 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)Cc3ccccc3C(F)(F)F)ccnc1-2 ZINC000551173983 674128545 /nfs/dbraw/zinc/12/85/45/674128545.db2.gz ADWQCDQESUCNOB-UHFFFAOYSA-N -1 1 370.356 2.303 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2ncc(-c3ccc(C)cc3)o2)n1 ZINC000074875247 542132454 /nfs/dbraw/zinc/13/24/54/542132454.db2.gz NPBFXKBRQOTWEA-UHFFFAOYSA-N -1 1 354.370 2.275 20 0 FEADMM CCOCC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075578460 542189817 /nfs/dbraw/zinc/18/98/17/542189817.db2.gz YPIKWJKHZPSKJP-UHFFFAOYSA-N -1 1 362.451 2.482 20 0 FEADMM Cn1nc(C(F)F)c2cc(C(=O)N=c3ccnc4n(C)[n-]cc3-4)sc21 ZINC000801703204 674144555 /nfs/dbraw/zinc/14/45/55/674144555.db2.gz DPHFZXFLOTZHFN-UHFFFAOYSA-N -1 1 362.365 2.480 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3cc(F)ccc3Br)ccnc1-2 ZINC000801702508 674144504 /nfs/dbraw/zinc/14/45/04/674144504.db2.gz JLPZEEDSJJRGBU-UHFFFAOYSA-N -1 1 363.190 2.425 20 0 FEADMM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000077383529 542375368 /nfs/dbraw/zinc/37/53/68/542375368.db2.gz XDIUKLWDIBHFBR-WDEREUQCSA-N -1 1 364.464 2.054 20 0 FEADMM CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077389000 542377164 /nfs/dbraw/zinc/37/71/64/542377164.db2.gz COVFWHJMUPERQS-ZDUSSCGKSA-N -1 1 364.464 2.006 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1 ZINC000078400217 542459691 /nfs/dbraw/zinc/45/96/91/542459691.db2.gz YQJKHYQNCMFIRC-LBPRGKRZSA-N -1 1 357.391 2.019 20 0 FEADMM CCc1c(C(=O)NCc2n[n-]c(=S)n2CC)cnn1-c1ccccn1 ZINC000078496497 542464795 /nfs/dbraw/zinc/46/47/95/542464795.db2.gz HIZDXDFPMXANSA-UHFFFAOYSA-N -1 1 357.443 2.034 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)o1 ZINC000080408419 542588383 /nfs/dbraw/zinc/58/83/83/542588383.db2.gz QOUXYTVZSAIAEF-UHFFFAOYSA-N -1 1 367.402 2.179 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nc(-c2ccccc2)no1 ZINC000081526807 542662722 /nfs/dbraw/zinc/66/27/22/542662722.db2.gz WWDJHMLMHONSHQ-UHFFFAOYSA-N -1 1 367.409 2.356 20 0 FEADMM COC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081965106 542681346 /nfs/dbraw/zinc/68/13/46/542681346.db2.gz YZTWBUABDUNQHJ-OAHLLOKOSA-N -1 1 357.454 2.363 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1cc2ccccc2o1 ZINC000084938371 542723892 /nfs/dbraw/zinc/72/38/92/542723892.db2.gz DHDRFOQXMZMCII-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000092269454 542853352 /nfs/dbraw/zinc/85/33/52/542853352.db2.gz QXFJROIPZSTILZ-UHFFFAOYSA-N -1 1 355.362 2.272 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC[C@H](C)O ZINC000098075642 543020404 /nfs/dbraw/zinc/02/04/04/543020404.db2.gz JANSKPDAPPUZLM-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000103498688 543112404 /nfs/dbraw/zinc/11/24/04/543112404.db2.gz HCQHYWXXULQIIZ-UHFFFAOYSA-N -1 1 354.378 2.444 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1C ZINC000105589805 543177510 /nfs/dbraw/zinc/17/75/10/543177510.db2.gz NANBGASJAUEZJQ-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(N)=O ZINC000107311365 543266201 /nfs/dbraw/zinc/26/62/01/543266201.db2.gz GVGLBWQBRVFENC-SECBINFHSA-N -1 1 359.662 2.435 20 0 FEADMM CC(C)N(C(=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)C(C)C ZINC000108592899 543296677 /nfs/dbraw/zinc/29/66/77/543296677.db2.gz HLDVUCOLJMPXJB-UHFFFAOYSA-N -1 1 370.519 2.347 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)o1 ZINC000109611808 543328697 /nfs/dbraw/zinc/32/86/97/543328697.db2.gz RXKJVMPPOAKUCA-UHFFFAOYSA-N -1 1 353.787 2.482 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](N2CCCC2=O)C1 ZINC000111649024 543409862 /nfs/dbraw/zinc/40/98/62/543409862.db2.gz WIRBCVZKAUBZHQ-LBPRGKRZSA-N -1 1 367.243 2.382 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](N2CCCC2=O)C1 ZINC000111648865 543410281 /nfs/dbraw/zinc/41/02/81/543410281.db2.gz SGXZNNACZAAWRX-LBPRGKRZSA-N -1 1 367.243 2.382 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nc2ncc(Br)cn2n1 ZINC000111667904 543411146 /nfs/dbraw/zinc/41/11/46/543411146.db2.gz XJLPPWUAUSUCGF-UHFFFAOYSA-N -1 1 368.578 2.498 20 0 FEADMM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H](C)c1cccnc1 ZINC000115225692 543555731 /nfs/dbraw/zinc/55/57/31/543555731.db2.gz DBTYRDRQNYGHGV-ZDUSSCGKSA-N -1 1 353.426 2.187 20 0 FEADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1nnnn1C1CC1 ZINC000802616604 674188305 /nfs/dbraw/zinc/18/83/05/674188305.db2.gz JQHCTWJIUZCOBU-QMMMGPOBSA-N -1 1 358.789 2.406 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116202182 543604282 /nfs/dbraw/zinc/60/42/82/543604282.db2.gz WOROIHGGZPOCKK-NEPJUHHUSA-N -1 1 372.375 2.338 20 0 FEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123280461 543752926 /nfs/dbraw/zinc/75/29/26/543752926.db2.gz HEGZIXDRNYAOQB-HOTGVXAUSA-N -1 1 374.485 2.234 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2ccc(Cl)cc2)co1 ZINC000125931460 543909328 /nfs/dbraw/zinc/90/93/28/543909328.db2.gz QQFUTLODEVXCHU-UHFFFAOYSA-N -1 1 356.831 2.204 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC(=O)OCc1ccccc1 ZINC000127120046 543974260 /nfs/dbraw/zinc/97/42/60/543974260.db2.gz GKASNCXMLZLVSQ-UHFFFAOYSA-N -1 1 371.437 2.239 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1Cl)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127156121 543976377 /nfs/dbraw/zinc/97/63/77/543976377.db2.gz FUKHHQPGAXGWCO-QMMMGPOBSA-N -1 1 354.819 2.136 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000127205591 543978191 /nfs/dbraw/zinc/97/81/91/543978191.db2.gz LDJKGSXDIVKQHJ-GOSISDBHSA-N -1 1 362.474 2.144 20 0 FEADMM C[C@@H]1CC(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@@H](C)O1 ZINC000126475586 543938034 /nfs/dbraw/zinc/93/80/34/543938034.db2.gz WNZUWCKKWFABPW-GHMZBOCLSA-N -1 1 358.460 2.042 20 0 FEADMM Cc1ccc(C[C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000126806611 543957391 /nfs/dbraw/zinc/95/73/91/543957391.db2.gz QEXAJRCRNMNNDQ-JTQLQIEISA-N -1 1 358.467 2.299 20 0 FEADMM CCC[C@@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)c1nn[n-]n1 ZINC000127591244 544002257 /nfs/dbraw/zinc/00/22/57/544002257.db2.gz OSPSHSYWAXSEEW-GFCCVEGCSA-N -1 1 357.336 2.341 20 0 FEADMM O=C(Nc1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1)c1ccco1 ZINC000129313511 544104754 /nfs/dbraw/zinc/10/47/54/544104754.db2.gz PGTSPTGPFKYHNP-ZDUSSCGKSA-N -1 1 366.381 2.065 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129481430 544114851 /nfs/dbraw/zinc/11/48/51/544114851.db2.gz QCAVRGZFOBVRKW-GFCCVEGCSA-N -1 1 370.388 2.333 20 0 FEADMM O=C(NCCCOC[C@H]1CCCO1)c1ccc(Br)c([O-])c1 ZINC000132892044 544247775 /nfs/dbraw/zinc/24/77/75/544247775.db2.gz YNIWDUAZWGQYEW-GFCCVEGCSA-N -1 1 358.232 2.470 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)co1 ZINC000133519753 544273282 /nfs/dbraw/zinc/27/32/82/544273282.db2.gz MVGJZBJPQOCLIC-LBPRGKRZSA-N -1 1 368.842 2.471 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4ncccc4c3)cc2n(C)c1=O ZINC000135937556 544363668 /nfs/dbraw/zinc/36/36/68/544363668.db2.gz IFPNZXNTXQMZQB-UHFFFAOYSA-N -1 1 368.418 2.226 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccsc1 ZINC000138442162 544395996 /nfs/dbraw/zinc/39/59/96/544395996.db2.gz QRSLALDIVWHILP-UHFFFAOYSA-N -1 1 352.437 2.491 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cc(F)cc(Cl)c3)cc2n(C)c1=O ZINC000150752531 544466615 /nfs/dbraw/zinc/46/66/15/544466615.db2.gz LBOHDPWPDFWGKR-UHFFFAOYSA-N -1 1 369.805 2.470 20 0 FEADMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000152510441 544663008 /nfs/dbraw/zinc/66/30/08/544663008.db2.gz QASWLJSZNNKRID-UHFFFAOYSA-N -1 1 354.256 2.473 20 0 FEADMM C[C@@]1(CNC(=O)c2cc(I)ccc2[O-])CCCO1 ZINC000153097974 544732713 /nfs/dbraw/zinc/73/27/13/544732713.db2.gz BZICNEPTBAOGHH-ZDUSSCGKSA-N -1 1 361.179 2.296 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C12CCCCC2 ZINC000153481600 544781374 /nfs/dbraw/zinc/78/13/74/544781374.db2.gz IVICIBLDVMWMRX-ZIAGYGMSSA-N -1 1 370.471 2.045 20 0 FEADMM CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153700714 544811618 /nfs/dbraw/zinc/81/16/18/544811618.db2.gz WFAQABXZJAOCHB-NSHDSACASA-N -1 1 354.834 2.433 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000154322226 544891321 /nfs/dbraw/zinc/89/13/21/544891321.db2.gz KGKFUMZCCKWBOB-RYUDHWBXSA-N -1 1 353.216 2.038 20 0 FEADMM CCC[C@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000154432687 544906014 /nfs/dbraw/zinc/90/60/14/544906014.db2.gz SUUXABSMKGCMBT-INIZCTEOSA-N -1 1 362.451 2.378 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)c1ccc(OC)cc1 ZINC000552530531 674213594 /nfs/dbraw/zinc/21/35/94/674213594.db2.gz LBHSVAYBZDTVQO-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1csc2ccccc12 ZINC000803030600 674218927 /nfs/dbraw/zinc/21/89/27/674218927.db2.gz AYOCPLHVDDEMHB-UHFFFAOYSA-N -1 1 364.452 2.237 20 0 FEADMM O=C(Cc1ccc(Cl)cn1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000803340140 674236811 /nfs/dbraw/zinc/23/68/11/674236811.db2.gz RBJRFOYBOAHEEG-UHFFFAOYSA-N -1 1 363.767 2.195 20 0 FEADMM COc1cc(C(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000553082447 674237684 /nfs/dbraw/zinc/23/76/84/674237684.db2.gz DUZQIYDWENKCBV-ZUZCIYMTSA-N -1 1 362.813 2.442 20 0 FEADMM CC1CC(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000622242706 676498096 /nfs/dbraw/zinc/49/80/96/676498096.db2.gz FVWCYOSTUYPNBW-UHFFFAOYSA-N -1 1 365.282 2.434 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179738415 327658160 /nfs/dbraw/zinc/65/81/60/327658160.db2.gz JUHQIOCDDPYGGK-UHFFFAOYSA-N -1 1 362.393 2.211 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)c2nc(C)cs2)c(=O)[n-]1 ZINC000182617969 327782526 /nfs/dbraw/zinc/78/25/26/327782526.db2.gz NWHTUGSFMGAWMV-SECBINFHSA-N -1 1 366.512 2.418 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCN2CCC(C)CC2)c1Cl ZINC000184916351 327889399 /nfs/dbraw/zinc/88/93/99/327889399.db2.gz QHGJYOQQDOKLOO-UHFFFAOYSA-N -1 1 374.890 2.357 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000186992212 327995745 /nfs/dbraw/zinc/99/57/45/327995745.db2.gz GXMJMYSLISAXFX-UHFFFAOYSA-N -1 1 369.450 2.401 20 0 FEADMM C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187270497 328012190 /nfs/dbraw/zinc/01/21/90/328012190.db2.gz YOZXCCGEKKSRIO-YFKPBYRVSA-N -1 1 363.060 2.415 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(-c2c(F)cccc2F)n1)c1nn[n-]n1 ZINC000187272534 328012194 /nfs/dbraw/zinc/01/21/94/328012194.db2.gz FARWSCGHIRREKR-QMMMGPOBSA-N -1 1 364.381 2.477 20 0 FEADMM O=C(NCC1(CCO)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188024052 328060949 /nfs/dbraw/zinc/06/09/49/328060949.db2.gz VFLQCPWQZDVIMP-UHFFFAOYSA-N -1 1 374.462 2.380 20 0 FEADMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000188125472 328067678 /nfs/dbraw/zinc/06/76/78/328067678.db2.gz USOORYNXEWUFFV-QWRGUYRKSA-N -1 1 370.215 2.165 20 0 FEADMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1(C)C ZINC000188472242 328089162 /nfs/dbraw/zinc/08/91/62/328089162.db2.gz LYGQDEPUHQJQLQ-IUODEOHRSA-N -1 1 365.854 2.324 20 0 FEADMM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1sccc1Br ZINC000188922440 328117988 /nfs/dbraw/zinc/11/79/88/328117988.db2.gz MAGVORGSFSUXSW-WPRPVWTQSA-N -1 1 354.291 2.340 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1CO ZINC000189504675 328152067 /nfs/dbraw/zinc/15/20/67/328152067.db2.gz VQOBRYMHDUUNDX-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC(C)(C)OC(C)(C)C2)c(=O)[n-]1 ZINC000189601996 328157493 /nfs/dbraw/zinc/15/74/93/328157493.db2.gz AIJYRJRZCITCEI-UHFFFAOYSA-N -1 1 353.488 2.149 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCOC[C@H]1C1CC1 ZINC000189842763 328170957 /nfs/dbraw/zinc/17/09/57/328170957.db2.gz NGPAOJDCMOMOHL-LBPRGKRZSA-N -1 1 373.190 2.248 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(Cn2cncn2)CC1 ZINC000190712148 328226784 /nfs/dbraw/zinc/22/67/84/328226784.db2.gz DIFCDXQXVDRARQ-UHFFFAOYSA-N -1 1 365.231 2.299 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)ccc1F ZINC000190744742 328229511 /nfs/dbraw/zinc/22/95/11/328229511.db2.gz QICJJPDRMSGEQA-UHFFFAOYSA-N -1 1 366.349 2.355 20 0 FEADMM Cc1cccc(C[C@@H](CO)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000191186274 328253097 /nfs/dbraw/zinc/25/30/97/328253097.db2.gz VXWQUNGZNHMLRS-HNNXBMFYSA-N -1 1 357.454 2.018 20 0 FEADMM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000191427451 328265445 /nfs/dbraw/zinc/26/54/45/328265445.db2.gz NYLIKYUATYBGBB-CQSZACIVSA-N -1 1 354.410 2.004 20 0 FEADMM C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000191805183 328283031 /nfs/dbraw/zinc/28/30/31/328283031.db2.gz VVUNTWSGLYQTJX-VIFPVBQESA-N -1 1 351.346 2.060 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCCS2(=O)=O)c1 ZINC000005328946 324347570 /nfs/dbraw/zinc/34/75/70/324347570.db2.gz DOLRXICOJCRZBE-UHFFFAOYSA-N -1 1 366.464 2.336 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 ZINC000022737875 324400893 /nfs/dbraw/zinc/40/08/93/324400893.db2.gz KQUZDWADVLGGRP-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(NCC1CCOCC1)c1ccc(I)c([O-])c1 ZINC000230891330 328487279 /nfs/dbraw/zinc/48/72/79/328487279.db2.gz DRQRJMATXDHEII-UHFFFAOYSA-N -1 1 361.179 2.153 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1nc(-c2ccc(F)cc2)no1 ZINC000078052026 325028793 /nfs/dbraw/zinc/02/87/93/325028793.db2.gz DDJBUWSUNMDARU-SECBINFHSA-N -1 1 352.347 2.044 20 0 FEADMM CCOCCCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078658072 325056937 /nfs/dbraw/zinc/05/69/37/325056937.db2.gz AFUOZSFKJMWWLO-OAHLLOKOSA-N -1 1 362.470 2.218 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)n1 ZINC000080393995 325129752 /nfs/dbraw/zinc/12/97/52/325129752.db2.gz LJGJGBLOXYDGIY-UHFFFAOYSA-N -1 1 364.405 2.306 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCc1nc(C(C)C)no1 ZINC000080610457 325137210 /nfs/dbraw/zinc/13/72/10/325137210.db2.gz HKOZICKRLGGXJH-UHFFFAOYSA-N -1 1 361.446 2.245 20 0 FEADMM O=S(=O)([N-]CCc1nnc[nH]1)c1c(Cl)cc(Cl)cc1Cl ZINC000080623961 325138229 /nfs/dbraw/zinc/13/82/29/325138229.db2.gz PFJICGVDPMNJRE-UHFFFAOYSA-N -1 1 355.634 2.286 20 0 FEADMM CCc1cnc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)s1 ZINC000081206996 325164039 /nfs/dbraw/zinc/16/40/39/325164039.db2.gz AOYOAEXKDMDNQZ-UHFFFAOYSA-N -1 1 352.485 2.068 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000081534901 325181753 /nfs/dbraw/zinc/18/17/53/325181753.db2.gz RYGUZBLHNIIHGO-LLVKDONJSA-N -1 1 358.467 2.394 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC000081745876 325195268 /nfs/dbraw/zinc/19/52/68/325195268.db2.gz LZHMQFUGECSYJD-ONEGZZNKSA-N -1 1 354.385 2.498 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(CC)CC ZINC000081816959 325200026 /nfs/dbraw/zinc/20/00/26/325200026.db2.gz VLOBKQJMHYNIKV-UONOGXRCSA-N -1 1 372.487 2.244 20 0 FEADMM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCN(C[C@H]2CCOC2)CC1 ZINC000085634678 325256819 /nfs/dbraw/zinc/25/68/19/325256819.db2.gz JATLFYZBXBMOIF-LLVKDONJSA-N -1 1 359.253 2.493 20 0 FEADMM C[S@@](=O)c1cccc(NC(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000085589018 325256902 /nfs/dbraw/zinc/25/69/02/325256902.db2.gz DQGNMQXJRXEMNY-QHCPKHFHSA-N -1 1 351.457 2.335 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000086170456 325261560 /nfs/dbraw/zinc/26/15/60/325261560.db2.gz ASJLLRCVNYEKIQ-LLVKDONJSA-N -1 1 364.471 2.466 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)no1 ZINC000088338200 325292044 /nfs/dbraw/zinc/29/20/44/325292044.db2.gz SCTXOAIPPFNNKO-UHFFFAOYSA-N -1 1 365.411 2.327 20 0 FEADMM CC(C)n1c(CCNC(=O)c2ccc(-n3ccnn3)cc2)n[n-]c1=S ZINC000089819092 325335377 /nfs/dbraw/zinc/33/53/77/325335377.db2.gz FEHIKLKAGZAKIG-UHFFFAOYSA-N -1 1 357.443 2.075 20 0 FEADMM CCn1c(CCNC(=O)[C@@H]2COc3ccc(F)cc3C2)n[n-]c1=S ZINC000090565214 325364373 /nfs/dbraw/zinc/36/43/73/325364373.db2.gz ULARNOIZFUYSFV-NSHDSACASA-N -1 1 350.419 2.010 20 0 FEADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)nn1C ZINC000091161311 325376199 /nfs/dbraw/zinc/37/61/99/325376199.db2.gz QJADQGZRDCYBIS-UHFFFAOYSA-N -1 1 354.407 2.306 20 0 FEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1NS(C)(=O)=O ZINC000093964856 325450969 /nfs/dbraw/zinc/45/09/69/325450969.db2.gz HGCYZSBGYZAPOL-SNVBAGLBSA-N -1 1 352.387 2.394 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCSc1ccccc1 ZINC000104018649 325530905 /nfs/dbraw/zinc/53/09/05/325530905.db2.gz SFOQJJKXIFDWAQ-UHFFFAOYSA-N -1 1 356.451 2.090 20 0 FEADMM CC(=O)Nc1cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)ccc1C ZINC000104852310 325548411 /nfs/dbraw/zinc/54/84/11/325548411.db2.gz SYYZIMSSRWFJQD-UHFFFAOYSA-N -1 1 367.409 2.087 20 0 FEADMM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1OC ZINC000106894625 325614623 /nfs/dbraw/zinc/61/46/23/325614623.db2.gz OTLMEDCLLOJFCZ-JTQLQIEISA-N -1 1 373.862 2.000 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCc2ccccc21 ZINC000110372547 325687292 /nfs/dbraw/zinc/68/72/92/325687292.db2.gz MNJUALOBCNNMKT-HNNXBMFYSA-N -1 1 350.422 2.028 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COc1cccc(C(C)C)c1 ZINC000114412430 325890401 /nfs/dbraw/zinc/89/04/01/325890401.db2.gz SHIZKKZJYMFKFM-UHFFFAOYSA-N -1 1 368.437 2.458 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)s1 ZINC000116601332 326026679 /nfs/dbraw/zinc/02/66/79/326026679.db2.gz UURLGHISBPPBRA-UHFFFAOYSA-N -1 1 366.512 2.258 20 0 FEADMM C[C@@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCN1C(=O)c1ccccc1 ZINC000116733773 326031541 /nfs/dbraw/zinc/03/15/41/326031541.db2.gz ZTAPNWNWSUTRTK-HNNXBMFYSA-N -1 1 367.331 2.457 20 0 FEADMM C[C@H]1SCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)[C@@H]1C ZINC000118289200 326087420 /nfs/dbraw/zinc/08/74/20/326087420.db2.gz DYOZVXGFAOJXCA-GHMZBOCLSA-N -1 1 360.501 2.322 20 0 FEADMM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc2[nH]nnc2c1 ZINC000119040950 326121001 /nfs/dbraw/zinc/12/10/01/326121001.db2.gz LIQKTELGBKHKQM-UHFFFAOYSA-N -1 1 360.320 2.353 20 0 FEADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3ccc(N4CCCCC4)cn3)cnc1-2 ZINC000119174679 326134690 /nfs/dbraw/zinc/13/46/90/326134690.db2.gz CKWBDWRRYPTHIB-UHFFFAOYSA-N -1 1 352.398 2.312 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000119285880 326145817 /nfs/dbraw/zinc/14/58/17/326145817.db2.gz LPBVBRFJMNSARQ-BDJLRTHQSA-N -1 1 370.384 2.415 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000119721114 326191509 /nfs/dbraw/zinc/19/15/09/326191509.db2.gz GXWZMIHJHUHBMU-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM Cn1nccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000120064776 326226743 /nfs/dbraw/zinc/22/67/43/326226743.db2.gz DGXSFTHZHHQBCD-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM CCCCOc1cccc(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000120113842 326231264 /nfs/dbraw/zinc/23/12/64/326231264.db2.gz GOKFRTMQXLOUIA-UHFFFAOYSA-N -1 1 366.439 2.297 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1cc2ccccc2cc1OC(F)F ZINC000121504087 326343843 /nfs/dbraw/zinc/34/38/43/326343843.db2.gz KWERSMGABAVGQD-UHFFFAOYSA-N -1 1 362.336 2.215 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(OCCF)c1 ZINC000124018016 326446439 /nfs/dbraw/zinc/44/64/39/326446439.db2.gz VMYIUNRDMLGXGV-UHFFFAOYSA-N -1 1 358.373 2.169 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1N(C)S(C)(=O)=O ZINC000130318379 326554744 /nfs/dbraw/zinc/55/47/44/326554744.db2.gz AVBRZUHDUGTWIW-UHFFFAOYSA-N -1 1 372.443 2.331 20 0 FEADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000135519757 326643004 /nfs/dbraw/zinc/64/30/04/326643004.db2.gz KMEPBGBVQWKEHV-SNVBAGLBSA-N -1 1 368.842 2.445 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(CO)ccc3C)cc21 ZINC000151884894 326693761 /nfs/dbraw/zinc/69/37/61/326693761.db2.gz FWCHYVABOMRIDQ-UHFFFAOYSA-N -1 1 360.435 2.197 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2ccccc2)co1 ZINC000152069899 326698137 /nfs/dbraw/zinc/69/81/37/326698137.db2.gz AKXLMBIEBUKEDV-AWEZNQCLSA-N -1 1 366.464 2.118 20 0 FEADMM C[C@]1(O)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000152521902 326709615 /nfs/dbraw/zinc/70/96/15/326709615.db2.gz AGENQJPCBVNLJM-IBGZPJMESA-N -1 1 374.462 2.474 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(=O)[n-]1 ZINC000152732606 326715092 /nfs/dbraw/zinc/71/50/92/326715092.db2.gz QJZAGFHQXNVURO-JZXOWHBKSA-N -1 1 369.490 2.435 20 0 FEADMM CCCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000153098753 326723831 /nfs/dbraw/zinc/72/38/31/326723831.db2.gz VFPJVHJHQKITKP-KGLIPLIRSA-N -1 1 372.487 2.244 20 0 FEADMM CCOCCO[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000153591187 326737063 /nfs/dbraw/zinc/73/70/63/326737063.db2.gz NUNKOSFFEUJKJX-LBPRGKRZSA-N -1 1 358.232 2.422 20 0 FEADMM COc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000153707640 326740438 /nfs/dbraw/zinc/74/04/38/326740438.db2.gz GYIDTHNQGPUKNE-OAHLLOKOSA-N -1 1 360.797 2.368 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)co1 ZINC000155387018 326786810 /nfs/dbraw/zinc/78/68/10/326786810.db2.gz WKSVJUGYRQMPOU-MGPLVRAMSA-N -1 1 366.414 2.380 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2COc3ccc(C)cc32)c(=O)[n-]1 ZINC000156231964 326822775 /nfs/dbraw/zinc/82/27/75/326822775.db2.gz YJTLXNZWTCLVAY-AWEZNQCLSA-N -1 1 359.451 2.291 20 0 FEADMM C[C@@H](NC(=O)c1cnn[nH]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162308867 327022001 /nfs/dbraw/zinc/02/20/01/327022001.db2.gz ORAUTKDXQUFVJF-SSDOTTSWSA-N -1 1 363.175 2.108 20 0 FEADMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1cnn(C)c1 ZINC000164138060 327065127 /nfs/dbraw/zinc/06/51/27/327065127.db2.gz QAHVWCBTCPJYBL-MRVPVSSYSA-N -1 1 371.178 2.221 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1nccn1CC(C)C ZINC000171010399 327112312 /nfs/dbraw/zinc/11/23/12/327112312.db2.gz GVKCIIWNUBUKNO-UHFFFAOYSA-N -1 1 366.425 2.174 20 0 FEADMM CCC(=O)Nc1ccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000171675505 327154174 /nfs/dbraw/zinc/15/41/74/327154174.db2.gz VFAHPORWBVQJOY-UHFFFAOYSA-N -1 1 367.409 2.169 20 0 FEADMM C[C@H](C(=O)Nc1cccc(NC(=O)c2cncc([O-])c2)c1)n1cccn1 ZINC000171863147 327166264 /nfs/dbraw/zinc/16/62/64/327166264.db2.gz VGTRSWHXWSWMRI-GFCCVEGCSA-N -1 1 351.366 2.436 20 0 FEADMM Cc1cc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c2ccccc2n1 ZINC000172222036 327187956 /nfs/dbraw/zinc/18/79/56/327187956.db2.gz OLWQEXDVUMPXEO-UHFFFAOYSA-N -1 1 361.405 2.426 20 0 FEADMM O=C(CCn1ccnn1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000172833136 327221439 /nfs/dbraw/zinc/22/14/39/327221439.db2.gz QFYPPWBRFQBCEB-UHFFFAOYSA-N -1 1 371.422 2.108 20 0 FEADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cnn(C)c1 ZINC000173011603 327230237 /nfs/dbraw/zinc/23/02/37/327230237.db2.gz OZUKFGKIQHAKNI-UHFFFAOYSA-N -1 1 370.434 2.498 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173200458 327240837 /nfs/dbraw/zinc/24/08/37/327240837.db2.gz SNGPBCVLBYEVCN-DTWKUNHWSA-N -1 1 354.288 2.337 20 0 FEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C(=O)N1c1ccccc1 ZINC000173686369 327276754 /nfs/dbraw/zinc/27/67/54/327276754.db2.gz IYHXAJYTUAHFFH-NHYWBVRUSA-N -1 1 366.389 2.437 20 0 FEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C(=O)N1c1ccccc1 ZINC000173686355 327276835 /nfs/dbraw/zinc/27/68/35/327276835.db2.gz IYHXAJYTUAHFFH-ABAIWWIYSA-N -1 1 366.389 2.437 20 0 FEADMM COC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(C)o1 ZINC000173736533 327280003 /nfs/dbraw/zinc/28/00/03/327280003.db2.gz FLMPZWDHXORKNY-CYBMUJFWSA-N -1 1 365.455 2.138 20 0 FEADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000174267595 327316062 /nfs/dbraw/zinc/31/60/62/327316062.db2.gz TXJPHIHIGVQXCV-UHFFFAOYSA-N -1 1 353.831 2.428 20 0 FEADMM Cc1cccc(O[C@@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000174659432 327341962 /nfs/dbraw/zinc/34/19/62/327341962.db2.gz UAPMYAIHKLREDS-ZDUSSCGKSA-N -1 1 368.437 2.074 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000174938066 327362167 /nfs/dbraw/zinc/36/21/67/327362167.db2.gz LYCGAYAWLHXDMN-GFCCVEGCSA-N -1 1 363.458 2.180 20 0 FEADMM O=C(NCCCNC(=O)C1CCC1)c1ccc(Br)cc1[O-] ZINC000174992334 327366126 /nfs/dbraw/zinc/36/61/26/327366126.db2.gz IRTKGNAQOVQSKA-UHFFFAOYSA-N -1 1 355.232 2.191 20 0 FEADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)o1 ZINC000175455046 327393640 /nfs/dbraw/zinc/39/36/40/327393640.db2.gz OXPOTDVCRQMRNG-UHFFFAOYSA-N -1 1 366.292 2.015 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000175859180 327417977 /nfs/dbraw/zinc/41/79/77/327417977.db2.gz ZLPPFSROHPICQI-KBPBESRZSA-N -1 1 350.440 2.161 20 0 FEADMM COc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[O-])N2CCOCC2)cc1 ZINC000176953060 327487077 /nfs/dbraw/zinc/48/70/77/327487077.db2.gz FBRRAPMHZLPBBX-GOSISDBHSA-N -1 1 374.412 2.343 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ncc(C)s2)c(=O)[n-]1 ZINC000177909989 327552609 /nfs/dbraw/zinc/55/26/09/327552609.db2.gz CGFYEMCUIHPWSJ-JTQLQIEISA-N -1 1 352.485 2.375 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178273766 327575752 /nfs/dbraw/zinc/57/57/52/327575752.db2.gz UFIOUIZWNJKGHA-HOTGVXAUSA-N -1 1 352.438 2.331 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000178355290 327579916 /nfs/dbraw/zinc/57/99/16/327579916.db2.gz JBQZUMSWKKZGIY-DNVCBOLYSA-N -1 1 360.458 2.042 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178362543 327580473 /nfs/dbraw/zinc/58/04/73/327580473.db2.gz VHRNDZDHZSZENN-HOTGVXAUSA-N -1 1 352.438 2.331 20 0 FEADMM O=C([O-])C1CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000262655062 328879083 /nfs/dbraw/zinc/87/90/83/328879083.db2.gz MELDQXIOPUSVDV-UHFFFAOYSA-N -1 1 374.359 2.041 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000263100008 328915613 /nfs/dbraw/zinc/91/56/13/328915613.db2.gz JXCBVFLWYBBTHO-FNFWKMNBSA-N -1 1 366.458 2.278 20 0 FEADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000263428504 328939203 /nfs/dbraw/zinc/93/92/03/328939203.db2.gz RJQITMSFNNUJBJ-CYBMUJFWSA-N -1 1 362.451 2.486 20 0 FEADMM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000264436004 329022927 /nfs/dbraw/zinc/02/29/27/329022927.db2.gz XCLNDKXXEIYIBB-ZCFIWIBFSA-N -1 1 351.268 2.350 20 0 FEADMM CC[C@]1(c2ccc(NC(=O)c3cncc([O-])c3)cc2)CCC(=O)NC1=O ZINC000264858513 329068099 /nfs/dbraw/zinc/06/80/99/329068099.db2.gz ORQQHHAOBCUEJF-LJQANCHMSA-N -1 1 353.378 2.124 20 0 FEADMM CC[C@@]1(c2ccc(NC(=O)c3cncc([O-])c3)cc2)CCC(=O)NC1=O ZINC000264858512 329068199 /nfs/dbraw/zinc/06/81/99/329068199.db2.gz ORQQHHAOBCUEJF-IBGZPJMESA-N -1 1 353.378 2.124 20 0 FEADMM CCOC[C@H]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000265054767 329086270 /nfs/dbraw/zinc/08/62/70/329086270.db2.gz NEILULDFZAZTKA-HNNXBMFYSA-N -1 1 370.453 2.370 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H](O)CC(C)(C)C ZINC000265548709 329137986 /nfs/dbraw/zinc/13/79/86/329137986.db2.gz YMRFWZCVPMUVSB-AWEZNQCLSA-N -1 1 358.442 2.008 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H](O)c2ccsc2)c(=O)[n-]1 ZINC000265838053 329165374 /nfs/dbraw/zinc/16/53/74/329165374.db2.gz NPKQMMLJEDNHNF-LBPRGKRZSA-N -1 1 353.469 2.056 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)CCCOC(C)C ZINC000265908268 329171746 /nfs/dbraw/zinc/17/17/46/329171746.db2.gz XRZNZSBTPPNSLJ-UHFFFAOYSA-N -1 1 358.442 2.369 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC[C@@H](O)c1ccccc1 ZINC000266432410 329222307 /nfs/dbraw/zinc/22/23/07/329222307.db2.gz RPKRXTGYGCLCPQ-QGZVFWFLSA-N -1 1 368.437 2.224 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CCCS1 ZINC000266586193 329239047 /nfs/dbraw/zinc/23/90/47/329239047.db2.gz NIZCFMMNSDKVRW-CQSZACIVSA-N -1 1 356.469 2.011 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)CC(C)(C)OC)cc1[N-]S(C)(=O)=O ZINC000266720527 329252616 /nfs/dbraw/zinc/25/26/16/329252616.db2.gz BAXAPFIVMPBSOP-LLVKDONJSA-N -1 1 373.475 2.392 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000266804455 329261395 /nfs/dbraw/zinc/26/13/95/329261395.db2.gz SVBWYCGVGPMEHA-QHCPKHFHSA-N -1 1 371.436 2.274 20 0 FEADMM Cc1noc([C@@H]2CCCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)n1 ZINC000266983574 329279907 /nfs/dbraw/zinc/27/99/07/329279907.db2.gz QXIGNZTZRRNYNG-GFCCVEGCSA-N -1 1 359.430 2.499 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccco1 ZINC000267007113 329282426 /nfs/dbraw/zinc/28/24/26/329282426.db2.gz GVUVVLWIMODNKC-AWEZNQCLSA-N -1 1 353.396 2.041 20 0 FEADMM COc1ccc(CCNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1F ZINC000267060021 329287386 /nfs/dbraw/zinc/28/73/86/329287386.db2.gz XDZIYJCOQAPFGW-UHFFFAOYSA-N -1 1 351.403 2.333 20 0 FEADMM C[C@@H](O)CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000267253450 329307371 /nfs/dbraw/zinc/30/73/71/329307371.db2.gz VHAYDAIRLMDZBI-CQSZACIVSA-N -1 1 362.451 2.330 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000267406806 329323939 /nfs/dbraw/zinc/32/39/39/329323939.db2.gz TYRAMZHJHNYSIB-JTQLQIEISA-N -1 1 353.444 2.016 20 0 FEADMM CCC[C@@H](NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nn[n-]n1 ZINC000267737221 329353727 /nfs/dbraw/zinc/35/37/27/329353727.db2.gz YDFURESRDBFVGO-SNVBAGLBSA-N -1 1 372.410 2.323 20 0 FEADMM C[C@H]1COCCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268635078 329441344 /nfs/dbraw/zinc/44/13/44/329441344.db2.gz NCEMSUUFMUFZBI-VIFPVBQESA-N -1 1 362.304 2.364 20 0 FEADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(F)nc2)ccc1OC ZINC000269683005 329539777 /nfs/dbraw/zinc/53/97/77/329539777.db2.gz GKKKXHRCSOPDIN-UHFFFAOYSA-N -1 1 367.402 2.056 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](C)Oc3ncccc32)c(=O)[n-]1 ZINC000269940181 329562071 /nfs/dbraw/zinc/56/20/71/329562071.db2.gz ZQJCTLYZDWHYMA-SNVBAGLBSA-N -1 1 360.439 2.354 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000270069375 329572325 /nfs/dbraw/zinc/57/23/25/329572325.db2.gz ZBBGOXRZJVLBOI-CYBMUJFWSA-N -1 1 357.428 2.226 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc(F)cc1[O-] ZINC000270375925 329595301 /nfs/dbraw/zinc/59/53/01/329595301.db2.gz NGWMAOAODZAUGU-WHOFXGATSA-N -1 1 353.419 2.196 20 0 FEADMM CC[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1O ZINC000270486668 329604766 /nfs/dbraw/zinc/60/47/66/329604766.db2.gz AMTHMSWQOWMCKT-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CO)CC(C)C ZINC000270993560 329652782 /nfs/dbraw/zinc/65/27/82/329652782.db2.gz DWERFVMVDGZCNE-HNNXBMFYSA-N -1 1 358.442 2.008 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NO[C@@H]2CCCCO2)c1 ZINC000273310178 329854783 /nfs/dbraw/zinc/85/47/83/329854783.db2.gz MTMAYQAMUJIVOZ-OAHLLOKOSA-N -1 1 361.354 2.129 20 0 FEADMM CN1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000274062909 329912582 /nfs/dbraw/zinc/91/25/82/329912582.db2.gz UCJRGMRKBSJVCO-UHFFFAOYSA-N -1 1 374.466 2.267 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(CC(=O)OC(C)(C)C)no1 ZINC000274253494 329931311 /nfs/dbraw/zinc/93/13/11/329931311.db2.gz WRDDDQMLTQZXDS-VIFPVBQESA-N -1 1 373.456 2.055 20 0 FEADMM CCCCOc1ccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cn1 ZINC000274722853 329974314 /nfs/dbraw/zinc/97/43/14/329974314.db2.gz CLOSMBKAATZDMM-UHFFFAOYSA-N -1 1 353.400 2.014 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1C ZINC000275015811 330002380 /nfs/dbraw/zinc/00/23/80/330002380.db2.gz LFIIBROCINHKKW-UHFFFAOYSA-N -1 1 366.418 2.344 20 0 FEADMM CCC(O)(CC)CCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000276506287 330159335 /nfs/dbraw/zinc/15/93/35/330159335.db2.gz VPVBJRROWMGVKW-UHFFFAOYSA-N -1 1 358.442 2.153 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c([O-])c1 ZINC000331791744 330201406 /nfs/dbraw/zinc/20/14/06/330201406.db2.gz KGZFEZBGQUKPLZ-CQSZACIVSA-N -1 1 354.410 2.290 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000331803363 330202124 /nfs/dbraw/zinc/20/21/24/330202124.db2.gz XPVDBQCWINQYMB-AWEZNQCLSA-N -1 1 361.446 2.193 20 0 FEADMM COc1ccc(C2(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)CCCC2)cc1 ZINC000367122801 330219786 /nfs/dbraw/zinc/21/97/86/330219786.db2.gz HBPLDRZWWVZVCV-CQSZACIVSA-N -1 1 355.442 2.426 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2nc(-c3ccccn3)no2)c1 ZINC000367127434 330220388 /nfs/dbraw/zinc/22/03/88/330220388.db2.gz WSWALURIGPKRCR-UHFFFAOYSA-N -1 1 368.349 2.195 20 0 FEADMM COC1(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1 ZINC000805273407 674328497 /nfs/dbraw/zinc/32/84/97/674328497.db2.gz ONFVTTIUDMMPCJ-SRVKXCTJSA-N -1 1 365.396 2.043 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCc2ccc(C)cc21 ZINC000554707990 674331587 /nfs/dbraw/zinc/33/15/87/674331587.db2.gz VMLAZJZNWGZBPQ-HNNXBMFYSA-N -1 1 363.439 2.251 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc2ccccc2o1 ZINC000554911234 674341010 /nfs/dbraw/zinc/34/10/10/674341010.db2.gz VILLHWSGXJDWPO-RHSMWYFYSA-N -1 1 365.451 2.279 20 0 FEADMM CCOC(=O)C[C@@H](OC(=O)c1ccc(Br)c([O-])c1)C(C)=O ZINC000805510963 674341765 /nfs/dbraw/zinc/34/17/65/674341765.db2.gz MOCBEKMGURLACB-GFCCVEGCSA-N -1 1 359.172 2.222 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000555128053 674348824 /nfs/dbraw/zinc/34/88/24/674348824.db2.gz FTXOVNKGHHOESS-UHFFFAOYSA-N -1 1 365.342 2.215 20 0 FEADMM Cc1cnc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000555207153 674351504 /nfs/dbraw/zinc/35/15/04/674351504.db2.gz MPUCHCRCRWXEBX-UHFFFAOYSA-N -1 1 355.423 2.176 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@@H]1n1cccn1 ZINC000555474577 674363438 /nfs/dbraw/zinc/36/34/38/674363438.db2.gz XHXALMGCYKIIES-MJBXVCDLSA-N -1 1 373.837 2.373 20 0 FEADMM CCn1cnc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000555753500 674375002 /nfs/dbraw/zinc/37/50/02/674375002.db2.gz RHBJRLNRFFZFOP-CQSZACIVSA-N -1 1 350.444 2.089 20 0 FEADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(I)c([O-])c2)O1 ZINC000398090370 558626282 /nfs/dbraw/zinc/62/62/82/558626282.db2.gz XFSJNVZEVOUSCH-WPRPVWTQSA-N -1 1 361.179 2.294 20 0 FEADMM O=C([N-]c1n[nH]c(SCCO)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000155389866 545520521 /nfs/dbraw/zinc/52/05/21/545520521.db2.gz NPNRZAFLBCGUPG-UHFFFAOYSA-N -1 1 365.802 2.450 20 0 FEADMM CCCOc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000155472235 545530192 /nfs/dbraw/zinc/53/01/92/545530192.db2.gz BEPJCZZBYASVAT-HNNXBMFYSA-N -1 1 371.441 2.358 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCc3cccc(O)c32)c(=O)[n-]1 ZINC000155627753 545550829 /nfs/dbraw/zinc/55/08/29/545550829.db2.gz RCXREZKQHIGSPX-UHFFFAOYSA-N -1 1 359.451 2.418 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000156536391 545634286 /nfs/dbraw/zinc/63/42/86/545634286.db2.gz ZKVFVMYZHVWGII-LLVKDONJSA-N -1 1 374.445 2.191 20 0 FEADMM COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C)noc1C ZINC000156784784 545660094 /nfs/dbraw/zinc/66/00/94/545660094.db2.gz JLOVETRDXGQTJM-UHFFFAOYSA-N -1 1 354.428 2.104 20 0 FEADMM COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000477396421 561143867 /nfs/dbraw/zinc/14/38/67/561143867.db2.gz FPBUTXCZXBBPPD-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)co1 ZINC000157331156 545729270 /nfs/dbraw/zinc/72/92/70/545729270.db2.gz RMIBQNBFRVPUJD-UHFFFAOYSA-N -1 1 359.201 2.203 20 0 FEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157634722 545762919 /nfs/dbraw/zinc/76/29/19/545762919.db2.gz ATAGHTAAECYZON-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4ncco4)cc3)cc2[nH]1 ZINC000157724088 545773863 /nfs/dbraw/zinc/77/38/63/545773863.db2.gz CEFZUGCRPKQOMU-UHFFFAOYSA-N -1 1 356.363 2.312 20 0 FEADMM CCOc1ccc(-c2nc(CS(=O)(=O)c3n[n-]c(CC)n3)co2)cc1 ZINC000158311088 545847351 /nfs/dbraw/zinc/84/73/51/545847351.db2.gz JZTLSYOCFUFQED-UHFFFAOYSA-N -1 1 362.411 2.395 20 0 FEADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000158955033 545908689 /nfs/dbraw/zinc/90/86/89/545908689.db2.gz WFPBZLLGEXPGID-ZYHUDNBSSA-N -1 1 372.874 2.030 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc4c3CCO4)cc2oc1=O ZINC000478678296 561172632 /nfs/dbraw/zinc/17/26/32/561172632.db2.gz HONSTYAZXIONOZ-UHFFFAOYSA-N -1 1 360.391 2.350 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)o1 ZINC000478786066 561174781 /nfs/dbraw/zinc/17/47/81/561174781.db2.gz ZKQFXISQUBLOKM-GXTWGEPZSA-N -1 1 359.444 2.328 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2COC)o1 ZINC000479165603 561183367 /nfs/dbraw/zinc/18/33/67/561183367.db2.gz QALFMSZWVSXKHC-UHFFFAOYSA-N -1 1 353.396 2.081 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(OC)c(F)c2)o1 ZINC000479206248 561184508 /nfs/dbraw/zinc/18/45/08/561184508.db2.gz DTULTIHGXBXGRJ-UHFFFAOYSA-N -1 1 371.386 2.125 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1-n1ccnn1)OCO2 ZINC000479232369 561185483 /nfs/dbraw/zinc/18/54/83/561185483.db2.gz QUGTYSHFRAIWJH-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)CC(=O)N3C)OCO2 ZINC000479235639 561185556 /nfs/dbraw/zinc/18/55/56/561185556.db2.gz QKTZHPMIZDVFGR-UHFFFAOYSA-N -1 1 360.391 2.043 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc2scnc2c1 ZINC000171476792 546210858 /nfs/dbraw/zinc/21/08/58/546210858.db2.gz BYMSBXXRNPRUPM-UHFFFAOYSA-N -1 1 353.407 2.430 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 ZINC000172489458 546254397 /nfs/dbraw/zinc/25/43/97/546254397.db2.gz MMANFEGKPWBNPB-CQSZACIVSA-N -1 1 358.419 2.001 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N(C)c2cc(F)ccc2F)ccc1[O-] ZINC000175692302 546334495 /nfs/dbraw/zinc/33/44/95/546334495.db2.gz PLQCPYOKGBXLBA-UHFFFAOYSA-N -1 1 356.350 2.454 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c(F)cc1F ZINC000175766512 546346085 /nfs/dbraw/zinc/34/60/85/546346085.db2.gz IZHIQCVANFGEHW-UHFFFAOYSA-N -1 1 369.328 2.189 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000175862493 546364332 /nfs/dbraw/zinc/36/43/32/546364332.db2.gz RGOYFSXOUHEDTR-ZIAGYGMSSA-N -1 1 352.456 2.407 20 0 FEADMM C[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1nnc[nH]1 ZINC000176197057 546418973 /nfs/dbraw/zinc/41/89/73/546418973.db2.gz JQOWSWDESSMHKE-QMMMGPOBSA-N -1 1 366.303 2.206 20 0 FEADMM CC[C@H](Oc1cccc(C)c1)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000176692830 546477711 /nfs/dbraw/zinc/47/77/11/546477711.db2.gz QNTUMYZYPBEAKY-KRWDZBQOSA-N -1 1 368.437 2.422 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1nn[n-]n1 ZINC000176752482 546484347 /nfs/dbraw/zinc/48/43/47/546484347.db2.gz JVAMNVDLCMNFHV-SKDRFNHKSA-N -1 1 368.235 2.387 20 0 FEADMM CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nn[n-]n1 ZINC000176760601 546485038 /nfs/dbraw/zinc/48/50/38/546485038.db2.gz KIMJFSJPIODGTI-CVEARBPZSA-N -1 1 370.457 2.018 20 0 FEADMM CCC[C@@H](NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1nn[n-]n1 ZINC000176777889 546487118 /nfs/dbraw/zinc/48/71/18/546487118.db2.gz PNAHJCMEEKCLAG-HZPDHXFCSA-N -1 1 354.414 2.121 20 0 FEADMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000480726746 561215391 /nfs/dbraw/zinc/21/53/91/561215391.db2.gz HZWGZCRRWPGDPB-SECBINFHSA-N -1 1 368.249 2.441 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3cc(F)c([O-])c(F)c3)n2)cc1 ZINC000177149535 546556129 /nfs/dbraw/zinc/55/61/29/546556129.db2.gz VQFFFDVKDFSSLW-UHFFFAOYSA-N -1 1 360.320 2.394 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)N1Cc2ccccc2C1 ZINC000480987580 561222111 /nfs/dbraw/zinc/22/21/11/561222111.db2.gz MLFOGWZYPHNJQW-LLVKDONJSA-N -1 1 366.389 2.174 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1F ZINC000481454322 561233059 /nfs/dbraw/zinc/23/30/59/561233059.db2.gz XUDXSICXAVKVAS-UHFFFAOYSA-N -1 1 354.359 2.299 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)ccc1[O-] ZINC000481564594 561236190 /nfs/dbraw/zinc/23/61/90/561236190.db2.gz GNIWECFACMZBSD-UHFFFAOYSA-N -1 1 374.378 2.201 20 0 FEADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000178894797 546868341 /nfs/dbraw/zinc/86/83/41/546868341.db2.gz WLWPRKYFEGDOGK-AWEZNQCLSA-N -1 1 354.410 2.095 20 0 FEADMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000178894810 546868406 /nfs/dbraw/zinc/86/84/06/546868406.db2.gz WLWPRKYFEGDOGK-CQSZACIVSA-N -1 1 354.410 2.095 20 0 FEADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccc(OCC(F)(F)F)nc1 ZINC000481939877 561245863 /nfs/dbraw/zinc/24/58/63/561245863.db2.gz CQWACZYLWGNAFZ-UHFFFAOYSA-N -1 1 362.333 2.424 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000481972426 561246555 /nfs/dbraw/zinc/24/65/55/561246555.db2.gz WMKFPTZIDZHXCU-UHFFFAOYSA-N -1 1 357.315 2.094 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000179540901 546974120 /nfs/dbraw/zinc/97/41/20/546974120.db2.gz VPCDSYKRGYQZKA-UHFFFAOYSA-N -1 1 374.340 2.240 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H](Nc3ccccc3)C1)c2=O ZINC000179719435 547003516 /nfs/dbraw/zinc/00/35/16/547003516.db2.gz LGDQRBHDHCBJNA-CQSZACIVSA-N -1 1 351.410 2.391 20 0 FEADMM O=C(CCCOc1ccc2c(c1)CCC2)NC1(c2nn[n-]n2)CCCC1 ZINC000482223091 561250555 /nfs/dbraw/zinc/25/05/55/561250555.db2.gz HJEFRNXVLJIGTC-UHFFFAOYSA-N -1 1 355.442 2.433 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3nc(Cl)ccc3Cl)cc21 ZINC000180274522 547076089 /nfs/dbraw/zinc/07/60/89/547076089.db2.gz ASAXONZVOMCMJA-UHFFFAOYSA-N -1 1 372.233 2.475 20 0 FEADMM C[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(Cl)s1 ZINC000181031350 547234710 /nfs/dbraw/zinc/23/47/10/547234710.db2.gz OYSDLMZNMVMGFW-SSDOTTSWSA-N -1 1 360.844 2.497 20 0 FEADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000181461133 547318512 /nfs/dbraw/zinc/31/85/12/547318512.db2.gz YKLKHEUPXLXEKS-JTQLQIEISA-N -1 1 350.296 2.345 20 0 FEADMM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000181505954 547325774 /nfs/dbraw/zinc/32/57/74/547325774.db2.gz RSOPYFGDLXYMNY-UHFFFAOYSA-N -1 1 361.389 2.365 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)co1 ZINC000182292246 547468566 /nfs/dbraw/zinc/46/85/66/547468566.db2.gz BNDQRTHUXMMFMN-UHFFFAOYSA-N -1 1 356.787 2.296 20 0 FEADMM CC(C)(CCO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000182472730 547498952 /nfs/dbraw/zinc/49/89/52/547498952.db2.gz JKIDZDNDUHNBAG-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cccc(O)c3)C2)cc(OC)c1 ZINC000182587704 547517137 /nfs/dbraw/zinc/51/71/37/547517137.db2.gz FGWJNUPYKBFGFO-INIZCTEOSA-N -1 1 356.422 2.414 20 0 FEADMM CC[C@@](C)(CO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183331375 547639366 /nfs/dbraw/zinc/63/93/66/547639366.db2.gz JFEIQPOBMFURKQ-SFHVURJKSA-N -1 1 362.451 2.378 20 0 FEADMM Cc1nc(COc2cccc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2)cs1 ZINC000183410666 547652833 /nfs/dbraw/zinc/65/28/33/547652833.db2.gz ZMHXBEWLPHUUKW-LLVKDONJSA-N -1 1 372.454 2.419 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cc2F)n1 ZINC000183421464 547655695 /nfs/dbraw/zinc/65/56/95/547655695.db2.gz OYUVRWHZEPVLML-SNVBAGLBSA-N -1 1 357.393 2.017 20 0 FEADMM C[C@H](CN(C)C(=O)C1(c2ccc(Br)cc2)CC1)c1nn[n-]n1 ZINC000183434210 547658914 /nfs/dbraw/zinc/65/89/14/547658914.db2.gz XOBVFEHMGOQFIG-SNVBAGLBSA-N -1 1 364.247 2.256 20 0 FEADMM C[C@@H](CN(C)C(=O)C=Cc1ccccc1Br)c1nn[n-]n1 ZINC000183440413 547659232 /nfs/dbraw/zinc/65/92/32/547659232.db2.gz XCFHRDBYGVCIBB-JARNTUPDSA-N -1 1 350.220 2.238 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000484494183 561298608 /nfs/dbraw/zinc/29/86/08/561298608.db2.gz YHGYFIVZQIRSHO-UHFFFAOYSA-N -1 1 353.352 2.128 20 0 FEADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000183592055 547686466 /nfs/dbraw/zinc/68/64/66/547686466.db2.gz ZGTBNDCXAXCASO-CYBMUJFWSA-N -1 1 350.212 2.488 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1CS(C)(=O)=O ZINC000484618587 561301191 /nfs/dbraw/zinc/30/11/91/561301191.db2.gz MVPRWKVSZRSGDD-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM COCc1ccccc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])cc1OC ZINC000484694198 561303545 /nfs/dbraw/zinc/30/35/45/561303545.db2.gz LKBMKGJHZWRTON-UHFFFAOYSA-N -1 1 369.370 2.480 20 0 FEADMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000484954812 561309266 /nfs/dbraw/zinc/30/92/66/561309266.db2.gz FAAZOAQMPJRFIZ-ZDUSSCGKSA-N -1 1 357.428 2.484 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H](C)CN2C[C@@H](C)C[C@H](C)C2)sc1C(=O)[O-] ZINC000184958662 547907355 /nfs/dbraw/zinc/90/73/55/547907355.db2.gz FZFZWAVDPXEDOD-GVXVVHGQSA-N -1 1 374.528 2.399 20 0 FEADMM O=C(NCc1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000185044615 547922605 /nfs/dbraw/zinc/92/26/05/547922605.db2.gz RNXHKUIOROHKKK-UHFFFAOYSA-N -1 1 364.398 2.001 20 0 FEADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3c(Cl)cnn3C)c2C)o1 ZINC000485391793 561318077 /nfs/dbraw/zinc/31/80/77/561318077.db2.gz WURGGSYEOYVVIK-UHFFFAOYSA-N -1 1 355.807 2.474 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cncc([O-])c1 ZINC000186077417 548081045 /nfs/dbraw/zinc/08/10/45/548081045.db2.gz KFTZUKAQPIYGNO-CYBMUJFWSA-N -1 1 365.311 2.341 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)CC2 ZINC000187570280 548260454 /nfs/dbraw/zinc/26/04/54/548260454.db2.gz PSMWSNQZNYJTMF-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nccn1-c1ccccc1 ZINC000193097594 548380248 /nfs/dbraw/zinc/38/02/48/548380248.db2.gz BNSDDMDDIDBHHH-UHFFFAOYSA-N -1 1 362.393 2.006 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000486487698 561348626 /nfs/dbraw/zinc/34/86/26/561348626.db2.gz BNZGNOVYIRNUKB-JOCHJYFZSA-N -1 1 355.437 2.242 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1OC ZINC000486546482 561350373 /nfs/dbraw/zinc/35/03/73/561350373.db2.gz GWFNFYTZUUZXQE-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2sccc2Br)cn(C)c1=O ZINC000486551758 561350603 /nfs/dbraw/zinc/35/06/03/561350603.db2.gz SBANZAZAZXCQJP-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2C)c1 ZINC000194287467 548459517 /nfs/dbraw/zinc/45/95/17/548459517.db2.gz UEMYAZOHLUQSRR-UHFFFAOYSA-N -1 1 371.422 2.364 20 0 FEADMM CCn1nccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000486641035 561353156 /nfs/dbraw/zinc/35/31/56/561353156.db2.gz SENWNPBWHWZENP-UHFFFAOYSA-N -1 1 352.398 2.340 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C[C@H](O)Cc1ccccc1 ZINC000486823056 561357663 /nfs/dbraw/zinc/35/76/63/561357663.db2.gz KKEJLMRVUHKEBX-CQSZACIVSA-N -1 1 366.414 2.129 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCOc2cccc(Cl)c2)n1 ZINC000195077531 548573986 /nfs/dbraw/zinc/57/39/86/548573986.db2.gz OFVUZSOWTSNGJV-UHFFFAOYSA-N -1 1 367.858 2.273 20 0 FEADMM CCc1cccc(C)c1NC(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195165944 548588330 /nfs/dbraw/zinc/58/83/30/548588330.db2.gz CLPKYEFWJJPNOZ-UHFFFAOYSA-N -1 1 364.471 2.385 20 0 FEADMM CCc1cccc(C)c1NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195165944 548588333 /nfs/dbraw/zinc/58/83/33/548588333.db2.gz CLPKYEFWJJPNOZ-UHFFFAOYSA-N -1 1 364.471 2.385 20 0 FEADMM CCc1cccc(C)c1NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195165944 548588336 /nfs/dbraw/zinc/58/83/36/548588336.db2.gz CLPKYEFWJJPNOZ-UHFFFAOYSA-N -1 1 364.471 2.385 20 0 FEADMM C[C@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195169015 548588733 /nfs/dbraw/zinc/58/87/33/548588733.db2.gz NYRGWWURMNQEEJ-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195169015 548588740 /nfs/dbraw/zinc/58/87/40/548588740.db2.gz NYRGWWURMNQEEJ-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195169015 548588745 /nfs/dbraw/zinc/58/87/45/548588745.db2.gz NYRGWWURMNQEEJ-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM CCN(C(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1)C1CCCCC1 ZINC000195171992 548590194 /nfs/dbraw/zinc/59/01/94/548590194.db2.gz ZOKBLOVPIHTDOI-UHFFFAOYSA-N -1 1 356.492 2.057 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)[n-]1 ZINC000195171822 548590231 /nfs/dbraw/zinc/59/02/31/548590231.db2.gz BCOJBAHQPXKDAU-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)n1 ZINC000195171822 548590238 /nfs/dbraw/zinc/59/02/38/548590238.db2.gz BCOJBAHQPXKDAU-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)n[n-]1 ZINC000195171822 548590242 /nfs/dbraw/zinc/59/02/42/548590242.db2.gz BCOJBAHQPXKDAU-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM COc1ccc(CCS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)cc1 ZINC000195288927 548613195 /nfs/dbraw/zinc/61/31/95/548613195.db2.gz XNMQNBGMOIPLFV-UHFFFAOYSA-N -1 1 357.435 2.421 20 0 FEADMM COc1ccc(CCS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)cc1 ZINC000195288927 548613199 /nfs/dbraw/zinc/61/31/99/548613199.db2.gz XNMQNBGMOIPLFV-UHFFFAOYSA-N -1 1 357.435 2.421 20 0 FEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)cc21 ZINC000195446577 548641380 /nfs/dbraw/zinc/64/13/80/548641380.db2.gz HYDVYAGFRVOOQS-UHFFFAOYSA-N -1 1 370.438 2.447 20 0 FEADMM CO[C@H](CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000195465486 548644816 /nfs/dbraw/zinc/64/48/16/548644816.db2.gz DWRSDRWMVURYDJ-QGZVFWFLSA-N -1 1 368.437 2.488 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1nnc2ccccc2n1 ZINC000487006696 561361300 /nfs/dbraw/zinc/36/13/00/561361300.db2.gz FXEBUPRQLVUDLM-UHFFFAOYSA-N -1 1 369.406 2.327 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C12CCCCC2 ZINC000487090134 561363316 /nfs/dbraw/zinc/36/33/16/561363316.db2.gz WXBGLWOXQBBATG-UONOGXRCSA-N -1 1 371.455 2.472 20 0 FEADMM Cc1cccc(NC(=O)CNC(=O)c2ncccc2[O-])c1Br ZINC000487193008 561365756 /nfs/dbraw/zinc/36/57/56/561365756.db2.gz VEVNCGYFYBESHL-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1NC(N)=O ZINC000487390260 561368923 /nfs/dbraw/zinc/36/89/23/561368923.db2.gz JWAVGQGAQGRWSF-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM C[C@H](Cn1cccn1)NC(=O)c1ccc(I)c([O-])c1 ZINC000230888829 548761138 /nfs/dbraw/zinc/76/11/38/548761138.db2.gz ZVDDHNFWJFDIPB-SECBINFHSA-N -1 1 371.178 2.012 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000237571377 548835767 /nfs/dbraw/zinc/83/57/67/548835767.db2.gz TZSHMOXGHAXUON-TZMCWYRMSA-N -1 1 354.472 2.092 20 0 FEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487774113 561375546 /nfs/dbraw/zinc/37/55/46/561375546.db2.gz QVAQTDHWLONDSS-SWLSCSKDSA-N -1 1 357.385 2.266 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245583285 548951423 /nfs/dbraw/zinc/95/14/23/548951423.db2.gz DEJAIMDHHZUUPH-CHWSQXEVSA-N -1 1 372.462 2.011 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000489510743 561413220 /nfs/dbraw/zinc/41/32/20/561413220.db2.gz OWTCBZXRCNEMBC-CVEARBPZSA-N -1 1 353.422 2.045 20 0 FEADMM O=C([O-])CC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292426 549807390 /nfs/dbraw/zinc/80/73/90/549807390.db2.gz HRTXGNCOYDDGCR-QWHCGFSZSA-N -1 1 362.323 2.137 20 0 FEADMM CCC[C@@H](NCC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000262315029 549809965 /nfs/dbraw/zinc/80/99/65/549809965.db2.gz UEEGNBGZWYJMDE-TZMCWYRMSA-N -1 1 352.431 2.032 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(=Cc2ccccc2F)CC1 ZINC000490548507 561434922 /nfs/dbraw/zinc/43/49/22/561434922.db2.gz WOVKBSDHBBMZBZ-UHFFFAOYSA-N -1 1 369.396 2.362 20 0 FEADMM COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CCN2C2CC2)c1 ZINC000263548754 549908415 /nfs/dbraw/zinc/90/84/15/549908415.db2.gz JAENBGVUIXGHTN-XMTFNYHQSA-N -1 1 372.465 2.446 20 0 FEADMM COC(=O)N[C@@H](CC(C)C)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000264019313 549968463 /nfs/dbraw/zinc/96/84/63/549968463.db2.gz IVMHCXXQPDFHPT-LBPRGKRZSA-N -1 1 361.402 2.190 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)ccc1F ZINC000268507384 550078337 /nfs/dbraw/zinc/07/83/37/550078337.db2.gz VHDBMTBUHDUWOK-UHFFFAOYSA-N -1 1 353.375 2.404 20 0 FEADMM COc1cccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1O ZINC000492221436 561450383 /nfs/dbraw/zinc/45/03/83/561450383.db2.gz BZMVHYSPFQESRI-UHFFFAOYSA-N -1 1 366.377 2.448 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(N(C)C)no1 ZINC000269290727 550177560 /nfs/dbraw/zinc/17/75/60/550177560.db2.gz ODHKBTPXYZBIPP-QMMMGPOBSA-N -1 1 364.349 2.194 20 0 FEADMM NC(=O)CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000493212127 561454979 /nfs/dbraw/zinc/45/49/79/561454979.db2.gz WZVZHRWJQYFOGR-UHFFFAOYSA-N -1 1 361.423 2.082 20 0 FEADMM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000493324517 561455407 /nfs/dbraw/zinc/45/54/07/561455407.db2.gz WVYIKAVXYBFTDN-LLVKDONJSA-N -1 1 350.444 2.149 20 0 FEADMM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000493324517 561455408 /nfs/dbraw/zinc/45/54/08/561455408.db2.gz WVYIKAVXYBFTDN-LLVKDONJSA-N -1 1 350.444 2.149 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000269643874 550213413 /nfs/dbraw/zinc/21/34/13/550213413.db2.gz FHJXHCUQUUVYRK-UHFFFAOYSA-N -1 1 361.338 2.144 20 0 FEADMM CCC(CC)(CO)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000270045693 550245233 /nfs/dbraw/zinc/24/52/33/550245233.db2.gz FXKZSIPIADOSMP-UHFFFAOYSA-N -1 1 358.442 2.010 20 0 FEADMM CCC[C@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000270695671 550297952 /nfs/dbraw/zinc/29/79/52/550297952.db2.gz VIBNRKFKRPRWSS-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCC[C@@H](O)C2)c1)OCC(F)(F)F ZINC000271319592 550364515 /nfs/dbraw/zinc/36/45/15/550364515.db2.gz YBYUKRXDWYFFHK-SNVBAGLBSA-N -1 1 362.304 2.100 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000271457547 550377005 /nfs/dbraw/zinc/37/70/05/550377005.db2.gz WRKIVKYSWHCBBD-NVXWUHKLSA-N -1 1 370.453 2.415 20 0 FEADMM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000271753850 550399621 /nfs/dbraw/zinc/39/96/21/550399621.db2.gz ZQZTWVSAXWLHQP-MFKMUULPSA-N -1 1 373.862 2.137 20 0 FEADMM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1nc(SC)n[nH]1)CC2 ZINC000273358294 550495533 /nfs/dbraw/zinc/49/55/33/550495533.db2.gz DYDLUBKAWHJZNS-UHFFFAOYSA-N -1 1 352.441 2.264 20 0 FEADMM CCOc1cc(C(=O)N2CCCC[C@H]2CNC(N)=O)cc(Cl)c1[O-] ZINC000273964693 550517333 /nfs/dbraw/zinc/51/73/33/550517333.db2.gz PPSPIZHSJDYRNF-NSHDSACASA-N -1 1 355.822 2.107 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000274204716 550527722 /nfs/dbraw/zinc/52/77/22/550527722.db2.gz OUDACFHVXKBHQF-YFKPBYRVSA-N -1 1 351.755 2.174 20 0 FEADMM CCN(CCNC(=O)N=c1nc(SC)[n-]s1)CCC(F)(F)F ZINC000494784070 561476360 /nfs/dbraw/zinc/47/63/60/561476360.db2.gz VESHYGZWLRUVCZ-UHFFFAOYSA-N -1 1 357.427 2.078 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ncccc1[O-])c1ccc(Br)cc1 ZINC000494823224 561477092 /nfs/dbraw/zinc/47/70/92/561477092.db2.gz XISPXQMAVLAIKB-GFCCVEGCSA-N -1 1 365.183 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3ccsc3)CC2)n1 ZINC000277651110 550696665 /nfs/dbraw/zinc/69/66/65/550696665.db2.gz IEIKKKQLFZXIIQ-UHFFFAOYSA-N -1 1 362.455 2.382 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H](OC)c3ccccc3)CC2)n1 ZINC000277668712 550699424 /nfs/dbraw/zinc/69/94/24/550699424.db2.gz JRSQAMITHNGJHA-HNNXBMFYSA-N -1 1 372.425 2.075 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3cccc(C)c3)CC2)n1 ZINC000277821541 550717939 /nfs/dbraw/zinc/71/79/39/550717939.db2.gz QJNNXSLUBMJDES-UHFFFAOYSA-N -1 1 371.441 2.379 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C=Cc3cncc(C)c3)CC2)n1 ZINC000277867781 550723185 /nfs/dbraw/zinc/72/31/85/550723185.db2.gz YLVBFFDIRPLEGU-SNAWJCMRSA-N -1 1 369.425 2.104 20 0 FEADMM C[C@@H](O)CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000279135212 550857831 /nfs/dbraw/zinc/85/78/31/550857831.db2.gz NREPJWMVBZOJGU-CQSZACIVSA-N -1 1 362.451 2.378 20 0 FEADMM C[C@@H](O)CCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000279194675 550863609 /nfs/dbraw/zinc/86/36/09/550863609.db2.gz UUMBZTIRYRTIHH-SECBINFHSA-N -1 1 364.320 2.394 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1C[C@H](C)O ZINC000279612370 550908400 /nfs/dbraw/zinc/90/84/00/550908400.db2.gz HEYKDHYREWQALY-XJKSGUPXSA-N -1 1 370.453 2.247 20 0 FEADMM Cc1ccc([C@H](C)[C@@H](O)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000495494237 561489195 /nfs/dbraw/zinc/48/91/95/561489195.db2.gz YAYYWHLANVSZDP-HXPMCKFVSA-N -1 1 368.437 2.141 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000280129076 550963577 /nfs/dbraw/zinc/96/35/77/550963577.db2.gz SOBGUZLLYYUYEM-BZNIZROVSA-N -1 1 358.442 2.010 20 0 FEADMM CCCn1ncnc1CS(=O)(=O)c1nc(Cc2ccccc2)c(C)[nH]1 ZINC000280394488 550989077 /nfs/dbraw/zinc/98/90/77/550989077.db2.gz FUSZWPRCFCNWPV-UHFFFAOYSA-N -1 1 359.455 2.284 20 0 FEADMM Cc1ccc([C@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCOCC2)o1 ZINC000280809524 551034638 /nfs/dbraw/zinc/03/46/38/551034638.db2.gz RABJBQIRQXBQEK-ZDUSSCGKSA-N -1 1 366.364 2.375 20 0 FEADMM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000281279579 551080651 /nfs/dbraw/zinc/08/06/51/551080651.db2.gz WVPFHIWEPCZHMH-UHFFFAOYSA-N -1 1 364.406 2.264 20 0 FEADMM COc1ncc(C)cc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281384972 551090658 /nfs/dbraw/zinc/09/06/58/551090658.db2.gz NVQIUVMMWCULID-UHFFFAOYSA-N -1 1 374.363 2.321 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282423988 551227036 /nfs/dbraw/zinc/22/70/36/551227036.db2.gz QNIYTOAVHXDACX-UHFFFAOYSA-N -1 1 372.874 2.076 20 0 FEADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[S@@](=O)C1 ZINC000282715864 551262898 /nfs/dbraw/zinc/26/28/98/551262898.db2.gz BDIIIBUQVOHJDC-SDWAUSNYSA-N -1 1 352.843 2.434 20 0 FEADMM COCc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282966304 551290946 /nfs/dbraw/zinc/29/09/46/551290946.db2.gz RWDYSJFFSABTGR-NSHDSACASA-N -1 1 356.382 2.010 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000283500766 551377538 /nfs/dbraw/zinc/37/75/38/551377538.db2.gz REJDUZIMSIJGGR-INIZCTEOSA-N -1 1 368.462 2.492 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c1ccc(F)c(C)c1 ZINC000284457002 551552860 /nfs/dbraw/zinc/55/28/60/551552860.db2.gz XMOGZJBKZRGFLB-NSHDSACASA-N -1 1 357.325 2.220 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n1 ZINC000284813670 551640454 /nfs/dbraw/zinc/64/04/54/551640454.db2.gz ZYMUQPXAEHKQCA-UHFFFAOYSA-N -1 1 373.818 2.016 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000284947473 551674129 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CCN(Cc1ccc(OC)cc1OC)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000286998237 551949717 /nfs/dbraw/zinc/94/97/17/551949717.db2.gz AZPDASUMOVYYOJ-JWGURIENSA-N -1 1 369.425 2.413 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000287149144 551969796 /nfs/dbraw/zinc/96/97/96/551969796.db2.gz RBSJPGAJPVIPSU-HNNXBMFYSA-N -1 1 354.414 2.071 20 0 FEADMM CSC1(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCC1 ZINC000287237455 551979832 /nfs/dbraw/zinc/97/98/32/551979832.db2.gz GQYUXPLPWLFGSI-UHFFFAOYSA-N -1 1 368.322 2.055 20 0 FEADMM CCC(C)(C)C1CCC(NC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000287456896 552006378 /nfs/dbraw/zinc/00/63/78/552006378.db2.gz NPNSMOJEUIZLTR-JLPGSUDCSA-N -1 1 371.485 2.392 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC3CCC(C(=O)OC(C)(C)C)CC3)ccnc1-2 ZINC000287580463 552021480 /nfs/dbraw/zinc/02/14/80/552021480.db2.gz LJBBBAGZJNIAKR-HAHDFKILSA-N -1 1 373.457 2.364 20 0 FEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287748582 552041821 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COCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000507563549 561733402 /nfs/dbraw/zinc/73/34/02/561733402.db2.gz GFPZSKCBBFTWDF-UHFFFAOYSA-N -1 1 352.387 2.003 20 0 FEADMM O=S(=O)([N-]c1nc(Cc2cccc(F)c2)n[nH]1)c1ccc(F)cc1 ZINC000508110171 561752283 /nfs/dbraw/zinc/75/22/83/561752283.db2.gz OSBMFXGSRAXWCV-UHFFFAOYSA-N -1 1 350.350 2.475 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(=O)[n-]1 ZINC000330777778 554169696 /nfs/dbraw/zinc/16/96/96/554169696.db2.gz ARKVPOABGDCRFR-MWLCHTKSSA-N -1 1 352.460 2.307 20 0 FEADMM CCOc1cc(C(=O)N(C)C[C@H]2CCN(C(C)=O)C2)cc(Cl)c1[O-] ZINC000330874818 554181622 /nfs/dbraw/zinc/18/16/22/554181622.db2.gz INMFVKMIXOQPOE-GFCCVEGCSA-N -1 1 354.834 2.385 20 0 FEADMM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331069183 554208888 /nfs/dbraw/zinc/20/88/88/554208888.db2.gz RDXZQWURGPSEFC-GXFFZTMASA-N -1 1 364.464 2.006 20 0 FEADMM COc1ccc(NC(=O)Cc2c(C)noc2Cl)cc1[N-]S(C)(=O)=O ZINC000508606269 561767218 /nfs/dbraw/zinc/76/72/18/561767218.db2.gz OFFBMYCVXABMJV-UHFFFAOYSA-N -1 1 373.818 2.198 20 0 FEADMM CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331183204 554226946 /nfs/dbraw/zinc/22/69/46/554226946.db2.gz IEORSNIGTOLFFW-CYBMUJFWSA-N -1 1 364.464 2.054 20 0 FEADMM COC[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508879995 561776616 /nfs/dbraw/zinc/77/66/16/561776616.db2.gz SVPKKCVQIIYBTM-MRVPVSSYSA-N -1 1 370.254 2.341 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(O)c(Cl)c1 ZINC000509187331 561789063 /nfs/dbraw/zinc/78/90/63/561789063.db2.gz WICWAUZOEZFVSV-UHFFFAOYSA-N -1 1 371.784 2.488 20 0 FEADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1O ZINC000331759633 554321610 /nfs/dbraw/zinc/32/16/10/554321610.db2.gz BBYAOXLFRLISGF-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509261766 561792666 /nfs/dbraw/zinc/79/26/66/561792666.db2.gz DILLLGKDLGGOSY-SECBINFHSA-N -1 1 353.325 2.227 20 0 FEADMM Cc1onc(-c2ccccn2)c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509265289 561792869 /nfs/dbraw/zinc/79/28/69/561792869.db2.gz VADXWPSGLHZGIX-UHFFFAOYSA-N -1 1 355.354 2.153 20 0 FEADMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc3c2OCO3)no1 ZINC000509298895 561794277 /nfs/dbraw/zinc/79/42/77/561794277.db2.gz UISPKHRVQUGELP-UHFFFAOYSA-N -1 1 373.390 2.252 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCc3cc(F)ccc32)ccc1[O-] ZINC000509377543 561796893 /nfs/dbraw/zinc/79/68/93/561796893.db2.gz XJSRKKOOTDXVJL-UHFFFAOYSA-N -1 1 350.371 2.241 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](O)C(C)C ZINC000509434974 561799539 /nfs/dbraw/zinc/79/95/39/561799539.db2.gz IJUQCWIODBGPQV-NSHDSACASA-N -1 1 370.254 2.075 20 0 FEADMM CO[C@H](C)c1nc(=NC[C@H](C)N2CCN(c3ccccc3)CC2)s[n-]1 ZINC000509700129 561810751 /nfs/dbraw/zinc/81/07/51/561810751.db2.gz QLVAVQZNWWNLJU-LSDHHAIUSA-N -1 1 361.515 2.290 20 0 FEADMM CO[C@H](C)c1nsc(=NC[C@H](C)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000509700129 561810752 /nfs/dbraw/zinc/81/07/52/561810752.db2.gz QLVAVQZNWWNLJU-LSDHHAIUSA-N -1 1 361.515 2.290 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[C@H](C)O ZINC000509716613 561811471 /nfs/dbraw/zinc/81/14/71/561811471.db2.gz AZEQRLWKGSAHMC-QMMMGPOBSA-N -1 1 370.254 2.219 20 0 FEADMM CCOCCCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509736371 561812083 /nfs/dbraw/zinc/81/20/83/561812083.db2.gz IPAYKEACYONPDH-UHFFFAOYSA-N -1 1 358.442 2.418 20 0 FEADMM Cc1nc(-c2ccc(N(C)CCN(C)CC(F)F)nc2)[n-]c(=O)c1C ZINC000509920241 561818574 /nfs/dbraw/zinc/81/85/74/561818574.db2.gz RJQUZKBBGNYXQE-UHFFFAOYSA-N -1 1 351.401 2.494 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1OCC(F)(F)F ZINC000509979636 561820627 /nfs/dbraw/zinc/82/06/27/561820627.db2.gz PMCYCSSXTVFPQH-UHFFFAOYSA-N -1 1 369.299 2.097 20 0 FEADMM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000510247187 561829764 /nfs/dbraw/zinc/82/97/64/561829764.db2.gz WCWIYPJLQQJSBN-OAHLLOKOSA-N -1 1 353.353 2.488 20 0 FEADMM COc1ccc(-c2n[n-]c(=NC(=O)N3CCN(C)[C@@H](C)[C@@H]3C)s2)cc1 ZINC000332661695 554492818 /nfs/dbraw/zinc/49/28/18/554492818.db2.gz ODMRVCUTQAIFTF-RYUDHWBXSA-N -1 1 361.471 2.770 20 0 FEADMM CC(C)CO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000332705804 554500197 /nfs/dbraw/zinc/50/01/97/554500197.db2.gz OACXBAAPXAADEJ-CYBMUJFWSA-N -1 1 372.487 2.244 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2cnc3nc(C)ccc3c2[O-])[C@@]12CCCO2 ZINC000332899223 554539506 /nfs/dbraw/zinc/53/95/06/554539506.db2.gz MFGUELWGLKPDCT-CLCXKQKWSA-N -1 1 357.410 2.100 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c3nc(C)ccc3c2=O)[C@@]12CCCO2 ZINC000332899223 554539508 /nfs/dbraw/zinc/53/95/08/554539508.db2.gz MFGUELWGLKPDCT-CLCXKQKWSA-N -1 1 357.410 2.100 20 0 FEADMM O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ccc(=NCc2ccccc2F)[n-]n1 ZINC000333542453 554622643 /nfs/dbraw/zinc/62/26/43/554622643.db2.gz OBWGNBLBEMVWPH-KBAYOESNSA-N -1 1 372.444 2.594 20 0 FEADMM O=C(c1s[n-]c(=O)c1Cl)N1CCC(CCN2CCOCC2)CC1 ZINC000333956961 554660905 /nfs/dbraw/zinc/66/09/05/554660905.db2.gz HNHKAACXFXGOQK-UHFFFAOYSA-N -1 1 359.879 2.077 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000511031978 561854445 /nfs/dbraw/zinc/85/44/45/561854445.db2.gz PZSRPXQSYLCKLO-JKSUJKDBSA-N -1 1 353.422 2.360 20 0 FEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000511089879 561856391 /nfs/dbraw/zinc/85/63/91/561856391.db2.gz LKXBNABFDLZHOM-MRXNPFEDSA-N -1 1 373.428 2.382 20 0 FEADMM Cn1ccc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1-c1ccccc1 ZINC000612119949 554736493 /nfs/dbraw/zinc/73/64/93/554736493.db2.gz VVPUHMLEUQQHKE-UHFFFAOYSA-N -1 1 368.466 2.088 20 0 FEADMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000511128721 561858316 /nfs/dbraw/zinc/85/83/16/561858316.db2.gz CRDVIUIMERBWSC-UHFFFAOYSA-N -1 1 373.434 2.120 20 0 FEADMM COc1cc(-c2noc(C3CN(C(C)=O)C3)n2)cc(Br)c1[O-] ZINC000350614264 554802688 /nfs/dbraw/zinc/80/26/88/554802688.db2.gz RJGAQOSUAOMJDT-UHFFFAOYSA-N -1 1 368.187 2.159 20 0 FEADMM COc1cc(-c2noc([C@H](C)n3cncn3)n2)cc(Br)c1[O-] ZINC000350757158 554811333 /nfs/dbraw/zinc/81/13/33/554811333.db2.gz ARPXVAZNGHMXMK-ZETCQYMHSA-N -1 1 366.175 2.414 20 0 FEADMM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350835393 554816555 /nfs/dbraw/zinc/81/65/55/554816555.db2.gz MWJFBAAYJAVTQU-TXEJJXNPSA-N -1 1 359.357 2.299 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cnc(C4CC4)nc3N)no2)c1 ZINC000350917437 554822454 /nfs/dbraw/zinc/82/24/54/554822454.db2.gz DPBPOKPGSUYXAB-UHFFFAOYSA-N -1 1 352.354 2.317 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)oc1C ZINC000511367569 561867027 /nfs/dbraw/zinc/86/70/27/561867027.db2.gz QVSCCOMNDMMKNT-UHFFFAOYSA-N -1 1 355.334 2.386 20 0 FEADMM COc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cs2)cc1 ZINC000362127263 554951592 /nfs/dbraw/zinc/95/15/92/554951592.db2.gz GNUJMWPUHPQNIH-GFCCVEGCSA-N -1 1 370.438 2.352 20 0 FEADMM COc1ccc(N(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cn1 ZINC000363200535 555051951 /nfs/dbraw/zinc/05/19/51/555051951.db2.gz LWJLXNZDZHEUBH-UHFFFAOYSA-N -1 1 365.393 2.162 20 0 FEADMM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363587547 555142721 /nfs/dbraw/zinc/14/27/21/555142721.db2.gz ROPGGLPJPBHYSC-BBRMVZONSA-N -1 1 358.446 2.178 20 0 FEADMM COc1ccc(C[C@@H](C)CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000511999529 561888632 /nfs/dbraw/zinc/88/86/32/561888632.db2.gz BCBZWFQJAFEXQH-GFCCVEGCSA-N -1 1 354.410 2.291 20 0 FEADMM CO[C@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(Cl)cc1 ZINC000512053802 561890352 /nfs/dbraw/zinc/89/03/52/561890352.db2.gz FVOVQTHYMBUZMO-CQSZACIVSA-N -1 1 360.801 2.445 20 0 FEADMM C[C@H](CN(C)C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1nn[n-]n1 ZINC000363988406 555228219 /nfs/dbraw/zinc/22/82/19/555228219.db2.gz WJWABDZJPDVLFX-SNVBAGLBSA-N -1 1 351.370 2.212 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2ccnc2)c1)c1ccc(F)c(F)c1F ZINC000364060925 555242998 /nfs/dbraw/zinc/24/29/98/555242998.db2.gz SILQPKYQRIBJHE-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccnc2ccncc21 ZINC000364210572 555270961 /nfs/dbraw/zinc/27/09/61/555270961.db2.gz HIOPIXALXJQSMD-UHFFFAOYSA-N -1 1 372.388 2.099 20 0 FEADMM Cn1cc([C@@H]2[C@@H](CN=c3[n-]nc(C(F)(F)F)s3)CCCN2C)cn1 ZINC000364904425 555432120 /nfs/dbraw/zinc/43/21/20/555432120.db2.gz HOPXVYOITQSUIS-KOLCDFICSA-N -1 1 360.409 2.785 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000364944703 555446114 /nfs/dbraw/zinc/44/61/14/555446114.db2.gz HCZZCJQJPHJCDN-LLVKDONJSA-N -1 1 363.801 2.755 20 0 FEADMM Cc1ccc(Cl)cc1N1C[C@H](C(=O)[N-]OC[C@@H]2CCOC2)CC1=O ZINC000364983725 555457041 /nfs/dbraw/zinc/45/70/41/555457041.db2.gz NOJOZRGVZBDSMP-CHWSQXEVSA-N -1 1 352.818 2.086 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC(O)(C2CC2)C1 ZINC000365280302 555530480 /nfs/dbraw/zinc/53/04/80/555530480.db2.gz OJJMLGWYMMCNLG-UHFFFAOYSA-N -1 1 372.446 2.084 20 0 FEADMM Cc1cc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n(C)n1 ZINC000365368010 555555333 /nfs/dbraw/zinc/55/53/33/555555333.db2.gz MJDCGVHKXOBEPC-UHFFFAOYSA-N -1 1 352.398 2.166 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)cnc2n1 ZINC000365597664 555618588 /nfs/dbraw/zinc/61/85/88/555618588.db2.gz QGOJTVHXYWKWRI-QUJCMNEKSA-N -1 1 357.410 2.052 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@@]3(CCO[C@@H]3C)C1)c2=O ZINC000365597664 555618590 /nfs/dbraw/zinc/61/85/90/555618590.db2.gz QGOJTVHXYWKWRI-QUJCMNEKSA-N -1 1 357.410 2.052 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCSCc2ccccc2F)c1 ZINC000513798374 561950313 /nfs/dbraw/zinc/95/03/13/561950313.db2.gz YQZIPOSEKVJVEJ-UHFFFAOYSA-N -1 1 373.427 2.417 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)c1 ZINC000513846852 561952263 /nfs/dbraw/zinc/95/22/63/561952263.db2.gz XWNBQFXTQCOWPE-SNVBAGLBSA-N -1 1 373.814 2.465 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)co1)Oc1cccc(F)c1 ZINC000513851672 561952488 /nfs/dbraw/zinc/95/24/88/561952488.db2.gz UYLIZBGDXBHFSW-CYBMUJFWSA-N -1 1 371.386 2.341 20 0 FEADMM Cc1nc(-c2ccc(N3C[C@@H](C)O[C@@]4(CCOC4)C3)nc2)[n-]c(=O)c1C ZINC000366546518 555873057 /nfs/dbraw/zinc/87/30/57/555873057.db2.gz VPVBMUYBGZSJGS-BLVKFPJESA-N -1 1 356.426 2.245 20 0 FEADMM O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000367707488 556120096 /nfs/dbraw/zinc/12/00/96/556120096.db2.gz PBFMMPXRJBORJH-AWEZNQCLSA-N -1 1 374.387 2.491 20 0 FEADMM ClC(Cl)(Cl)c1nc(=NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)s[n-]1 ZINC000367717589 556121966 /nfs/dbraw/zinc/12/19/66/556121966.db2.gz UNZMCDSNVVOZEQ-SFYZADRCSA-N -1 1 357.694 2.062 20 0 FEADMM CC(C)c1nccn1C[C@@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000367983989 556187707 /nfs/dbraw/zinc/18/77/07/556187707.db2.gz RNFJQXSKGSGDGQ-ZDUSSCGKSA-N -1 1 368.441 2.299 20 0 FEADMM Cc1ccccc1OCc1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000515261241 562002864 /nfs/dbraw/zinc/00/28/64/562002864.db2.gz WCXMXDIEKJGFNW-UHFFFAOYSA-N -1 1 365.436 2.497 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1COc2ccccc21 ZINC000368500777 556327640 /nfs/dbraw/zinc/32/76/40/556327640.db2.gz DWDKJRAJFWUTRK-ABAIWWIYSA-N -1 1 373.775 2.374 20 0 FEADMM Cc1noc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2)n1 ZINC000368952587 556457835 /nfs/dbraw/zinc/45/78/35/556457835.db2.gz YFBGHTNIKRNBKI-OAHLLOKOSA-N -1 1 361.361 2.134 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@@H](n3ncc4ccccc43)C1)c2=O ZINC000369234557 556543699 /nfs/dbraw/zinc/54/36/99/556543699.db2.gz DFBRKGBAHGUVRX-CYBMUJFWSA-N -1 1 362.393 2.111 20 0 FEADMM COc1ncccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000516118469 562031587 /nfs/dbraw/zinc/03/15/87/562031587.db2.gz DSKNJZRDIGDQEQ-UHFFFAOYSA-N -1 1 351.366 2.137 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000370126721 556787802 /nfs/dbraw/zinc/78/78/02/556787802.db2.gz RIRUVAWDYYJGQQ-SECBINFHSA-N -1 1 351.204 2.293 20 0 FEADMM COc1ccc([C@@H]2[C@H](C(=O)[N-]OCC(F)(F)F)CCC(=O)N2C)cc1 ZINC000370134879 556790175 /nfs/dbraw/zinc/79/01/75/556790175.db2.gz XRSHTHFZGNCCID-TZMCWYRMSA-N -1 1 360.332 2.215 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC([C@@H]2CCCOC2)CC1 ZINC000370149774 556794795 /nfs/dbraw/zinc/79/47/95/556794795.db2.gz PRMFZSWUIVKTCD-CYBMUJFWSA-N -1 1 351.472 2.491 20 0 FEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000516747516 562056285 /nfs/dbraw/zinc/05/62/85/562056285.db2.gz GORDZCGAXNTILN-ZNMIVQPWSA-N -1 1 354.520 2.322 20 0 FEADMM COc1cc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)ccc1[N-]S(C)(=O)=O ZINC000516821571 562059281 /nfs/dbraw/zinc/05/92/81/562059281.db2.gz JOUGQVCPJSJOQK-LLVKDONJSA-N -1 1 371.459 2.098 20 0 FEADMM CC(C)COc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000370848935 556989455 /nfs/dbraw/zinc/98/94/55/556989455.db2.gz BRPBNHAMUZMMCZ-MRXNPFEDSA-N -1 1 373.457 2.112 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000371068432 557065402 /nfs/dbraw/zinc/06/54/02/557065402.db2.gz GVUUYMQIZFKORV-GDIGMMSISA-N -1 1 372.469 2.304 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000371298588 557136335 /nfs/dbraw/zinc/13/63/35/557136335.db2.gz XPEUBPFBDRDMBZ-ULQDDVLXSA-N -1 1 355.442 2.382 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)ccn1 ZINC000517534645 562091888 /nfs/dbraw/zinc/09/18/88/562091888.db2.gz BEOWRMHPOLOPLK-UHFFFAOYSA-N -1 1 373.434 2.116 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1 ZINC000517805341 562098533 /nfs/dbraw/zinc/09/85/33/562098533.db2.gz CXWSPKKIYZSHRS-UHFFFAOYSA-N -1 1 361.423 2.026 20 0 FEADMM COc1cc(F)c(S(=O)(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000518622205 562115542 /nfs/dbraw/zinc/11/55/42/562115542.db2.gz JQPPHWJOPCETLF-STQMWFEESA-N -1 1 374.478 2.384 20 0 FEADMM O=C(c1ccc2[nH]nnc2c1)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl ZINC000372071990 557371950 /nfs/dbraw/zinc/37/19/50/557371950.db2.gz FMUACRFJXFRXIW-HNNXBMFYSA-N -1 1 373.775 2.064 20 0 FEADMM CSc1n[nH]c(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)n1 ZINC000519096557 562124871 /nfs/dbraw/zinc/12/48/71/562124871.db2.gz MVXSQBOSSAHZSO-QMMMGPOBSA-N -1 1 369.447 2.365 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C)s2)o1 ZINC000372372591 557453407 /nfs/dbraw/zinc/45/34/07/557453407.db2.gz IUTSWYBLMWCGQU-LLVKDONJSA-N -1 1 369.468 2.320 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1nc2ccccc2[nH]1 ZINC000372537200 557496892 /nfs/dbraw/zinc/49/68/92/557496892.db2.gz VWMTUADNJILELZ-UHFFFAOYSA-N -1 1 374.404 2.288 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCOC1CCCC1 ZINC000372544056 557499101 /nfs/dbraw/zinc/49/91/01/557499101.db2.gz YMEADXBVRFURLI-UHFFFAOYSA-N -1 1 356.426 2.171 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC3CCCCC3)CC2)n1 ZINC000373103995 557629363 /nfs/dbraw/zinc/62/93/63/557629363.db2.gz KTIZPEAILNUNLQ-UHFFFAOYSA-N -1 1 363.462 2.451 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)Nc3cccc(F)c3-c3nnc[nH]3)cc21 ZINC000373210123 557650259 /nfs/dbraw/zinc/65/02/59/557650259.db2.gz NQKCPJWYDXSSSH-UHFFFAOYSA-N -1 1 374.353 2.082 20 0 FEADMM O=C(c1c(F)ccc(Br)c1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000373262326 557661126 /nfs/dbraw/zinc/66/11/26/557661126.db2.gz VRBYWTNFGMAHPB-ZETCQYMHSA-N -1 1 372.173 2.260 20 0 FEADMM O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000520239945 562151676 /nfs/dbraw/zinc/15/16/76/562151676.db2.gz CZYWSXFGNSVKDH-GOEBONIOSA-N -1 1 373.409 2.353 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3c2CNC3=O)c(Cl)c1 ZINC000520277841 562152358 /nfs/dbraw/zinc/15/23/58/562152358.db2.gz XQBZQOCTAOIFDK-UHFFFAOYSA-N -1 1 366.782 2.082 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)cnc2n1 ZINC000373603618 557727550 /nfs/dbraw/zinc/72/75/50/557727550.db2.gz KGGBKNMRCDWPGF-LJQANCHMSA-N -1 1 357.410 2.054 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@@]3(CCOC3)OC(C)(C)C1)c2=O ZINC000373603618 557727552 /nfs/dbraw/zinc/72/75/52/557727552.db2.gz KGGBKNMRCDWPGF-LJQANCHMSA-N -1 1 357.410 2.054 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)Cc2ccon2)c2ccc(Cl)cc2)no1 ZINC000374282987 557857664 /nfs/dbraw/zinc/85/76/64/557857664.db2.gz KKAOAHNEITYBTE-CYBMUJFWSA-N -1 1 368.802 2.228 20 0 FEADMM O=C(Nc1ccc(Cl)nc1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000375009196 557963544 /nfs/dbraw/zinc/96/35/44/557963544.db2.gz ULPWZDVEJBADQJ-UHFFFAOYSA-N -1 1 360.732 2.175 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)c(=O)[n-]1 ZINC000375123414 557980984 /nfs/dbraw/zinc/98/09/84/557980984.db2.gz HLMHWYGDCTWTDD-CRAIPNDOSA-N -1 1 365.499 2.467 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@]3(C2)CCCOC3)c(=O)[n-]1 ZINC000375395973 558020612 /nfs/dbraw/zinc/02/06/12/558020612.db2.gz ZARDHGNZJHVTQZ-QGZVFWFLSA-N -1 1 351.472 2.174 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1Cl ZINC000375576027 558051372 /nfs/dbraw/zinc/05/13/72/558051372.db2.gz DWGLRHMNDMEVRA-AAEUAGOBSA-N -1 1 372.874 2.061 20 0 FEADMM CO[C@H](C)c1nc(=NC[C@H]2CN(Cc3ccccc3)CCCO2)s[n-]1 ZINC000375963909 558106297 /nfs/dbraw/zinc/10/62/97/558106297.db2.gz VDFRCUOXFZMMPF-ZBFHGGJFSA-N -1 1 362.499 2.370 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1cnn2ccccc12 ZINC000376186841 558138252 /nfs/dbraw/zinc/13/82/52/558138252.db2.gz HVCYIMJNWGCCFW-UHFFFAOYSA-N -1 1 374.404 2.059 20 0 FEADMM O=C(N=c1[n-]nc(C(F)(F)F)s1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000376368838 558163892 /nfs/dbraw/zinc/16/38/92/558163892.db2.gz OOZPZCNXAVEYOE-MRVPVSSYSA-N -1 1 369.332 2.586 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC(c4ccccc4CO)CC3)ccnc1-2 ZINC000376606183 558197031 /nfs/dbraw/zinc/19/70/31/558197031.db2.gz LISHNRXWLUJMKI-NKFKGCMQSA-N -1 1 365.437 2.246 20 0 FEADMM CCOCCO[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000376938835 558241798 /nfs/dbraw/zinc/24/17/98/558241798.db2.gz FIXCUVBXTTVPFU-GDBMZVCRSA-N -1 1 354.834 2.334 20 0 FEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H]1COc2ccccc2[C@@H]1O ZINC000377296095 558308801 /nfs/dbraw/zinc/30/88/01/558308801.db2.gz LESIWUNIWYFFCT-ZBFHGGJFSA-N -1 1 371.817 2.393 20 0 FEADMM Cc1ccc(-c2ccsc2C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000377594078 558373333 /nfs/dbraw/zinc/37/33/33/558373333.db2.gz AYLVZKOTLLXNTF-CQSZACIVSA-N -1 1 355.423 2.450 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000377622366 558379139 /nfs/dbraw/zinc/37/91/39/558379139.db2.gz IVJQSUBXSFAZDY-GWCFXTLKSA-N -1 1 350.365 2.286 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1 ZINC000377856185 558435849 /nfs/dbraw/zinc/43/58/49/558435849.db2.gz NFDJNHRRQZGHJP-NSHDSACASA-N -1 1 369.447 2.378 20 0 FEADMM COc1cccc(C2CCN(S(=O)(=O)c3c(C)o[n-]c3=N)CC2)c1F ZINC000377861979 558436794 /nfs/dbraw/zinc/43/67/94/558436794.db2.gz UVZAFBKIWBPHQM-UHFFFAOYSA-N -1 1 369.418 2.281 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000377860868 558436812 /nfs/dbraw/zinc/43/68/12/558436812.db2.gz OPXHZSYCJQTGIZ-UHFFFAOYSA-N -1 1 364.471 2.200 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000377863653 558437051 /nfs/dbraw/zinc/43/70/51/558437051.db2.gz IKCYNAKQHIRJBV-AWEZNQCLSA-N -1 1 365.455 2.381 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000377863654 558437212 /nfs/dbraw/zinc/43/72/12/558437212.db2.gz IKCYNAKQHIRJBV-CQSZACIVSA-N -1 1 365.455 2.381 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3ccc(N)cc32)c1Cl ZINC000377976306 558456218 /nfs/dbraw/zinc/45/62/18/558456218.db2.gz JAPIBRGRVYTATK-NSHDSACASA-N -1 1 370.862 2.236 20 0 FEADMM CC[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000377980164 558456963 /nfs/dbraw/zinc/45/69/63/558456963.db2.gz XTIGJZCNSPDXMG-UTKZUKDTSA-N -1 1 370.449 2.427 20 0 FEADMM C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000378007619 558462255 /nfs/dbraw/zinc/46/22/55/558462255.db2.gz PEPKYYGFIRUGMD-BXUZGUMPSA-N -1 1 369.259 2.090 20 0 FEADMM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000378186360 558498682 /nfs/dbraw/zinc/49/86/82/558498682.db2.gz WSYYRNRLKJIEEB-GOEBONIOSA-N -1 1 371.437 2.485 20 0 FEADMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)CCC2 ZINC000378251048 558511764 /nfs/dbraw/zinc/51/17/64/558511764.db2.gz KWTDFJJMDBHRHL-JTQLQIEISA-N -1 1 359.373 2.465 20 0 FEADMM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)ccc1[O-] ZINC000378415165 558551435 /nfs/dbraw/zinc/55/14/35/558551435.db2.gz FPFVKPCEBHMUTE-NHYWBVRUSA-N -1 1 356.216 2.223 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(Cc2ccccc2)C1 ZINC000378501415 558571034 /nfs/dbraw/zinc/57/10/34/558571034.db2.gz SMCMAEAEJOFJPX-UHFFFAOYSA-N -1 1 374.444 2.384 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc(I)c([O-])c2)[C@H](C)O1 ZINC000384882572 558605834 /nfs/dbraw/zinc/60/58/34/558605834.db2.gz KDBMRMRRYWPURW-FYBVGQRMSA-N -1 1 361.179 2.293 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]Cc2nnc(C)s2)sc1Br ZINC000392053244 558615607 /nfs/dbraw/zinc/61/56/07/558615607.db2.gz KEFUPYGSFOMPSQ-UHFFFAOYSA-N -1 1 368.303 2.457 20 0 FEADMM C[C@@H](O)C[C@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000397816845 558625435 /nfs/dbraw/zinc/62/54/35/558625435.db2.gz LHDMNQMBYHHELL-DTWKUNHWSA-N -1 1 363.195 2.134 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cccc(-n4cncn4)c3)cnc2n1 ZINC000524010438 562222830 /nfs/dbraw/zinc/22/28/30/562222830.db2.gz WCIFPBXBAQFEPV-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3cccc(-n4cncn4)c3)c[n-]c2n1 ZINC000524010438 562222831 /nfs/dbraw/zinc/22/28/31/562222831.db2.gz WCIFPBXBAQFEPV-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000408302415 558664998 /nfs/dbraw/zinc/66/49/98/558664998.db2.gz GFSKDQQURYPQKW-UHFFFAOYSA-N -1 1 360.458 2.015 20 0 FEADMM C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450214 558678497 /nfs/dbraw/zinc/67/84/97/558678497.db2.gz DEKCTRJHVDZVFU-ZIAGYGMSSA-N -1 1 358.417 2.416 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450214 558678499 /nfs/dbraw/zinc/67/84/99/558678499.db2.gz DEKCTRJHVDZVFU-ZIAGYGMSSA-N -1 1 358.417 2.416 20 0 FEADMM CN1CC[C@H]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@H]2C1 ZINC000408460294 558679653 /nfs/dbraw/zinc/67/96/53/558679653.db2.gz NDGDBZRFCYXLPK-JQWIXIFHSA-N -1 1 364.389 2.126 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1C ZINC000524640504 562231561 /nfs/dbraw/zinc/23/15/61/562231561.db2.gz LWKCKYIUJJZQHM-HSZRJFAPSA-N -1 1 367.448 2.320 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc3nccn32)o1 ZINC000524653811 562231784 /nfs/dbraw/zinc/23/17/84/562231784.db2.gz JUKWFIFNFSOXMQ-UHFFFAOYSA-N -1 1 362.411 2.256 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)oc1C ZINC000410172312 558743769 /nfs/dbraw/zinc/74/37/69/558743769.db2.gz BICLPTLRKNHKLR-GHMZBOCLSA-N -1 1 367.370 2.203 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1sc(-c2ccccc2)nc1C ZINC000410284850 558749932 /nfs/dbraw/zinc/74/99/32/558749932.db2.gz JSBMJKZCGAWUOO-UHFFFAOYSA-N -1 1 355.423 2.762 20 0 FEADMM CCCCN(CCOC)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000524901193 562237248 /nfs/dbraw/zinc/23/72/48/562237248.db2.gz QRZDUYDKXMYTHX-UHFFFAOYSA-N -1 1 373.475 2.347 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccc1)C[C@@H](C)O ZINC000524971230 562238747 /nfs/dbraw/zinc/23/87/47/562238747.db2.gz ICSRKZWDCRWWQD-CYBMUJFWSA-N -1 1 368.437 2.004 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](NC(N)=O)C(C)(C)C)c1 ZINC000412251280 559022716 /nfs/dbraw/zinc/02/27/16/559022716.db2.gz WFMSZQFQJROMEO-NSHDSACASA-N -1 1 358.236 2.485 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H]([C@H](O)C(F)(F)F)C3)cnc2n1 ZINC000412398560 559033075 /nfs/dbraw/zinc/03/30/75/559033075.db2.gz GVGXPQIZCBGADS-ZANVPECISA-N -1 1 355.316 2.029 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@H]([C@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000412398560 559033076 /nfs/dbraw/zinc/03/30/76/559033076.db2.gz GVGXPQIZCBGADS-ZANVPECISA-N -1 1 355.316 2.029 20 0 FEADMM CO[C@@](C)([C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C1CC1 ZINC000412618082 559046937 /nfs/dbraw/zinc/04/69/37/559046937.db2.gz SYORRRKGGTXZSJ-YJYMSZOUSA-N -1 1 360.458 2.304 20 0 FEADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1cnc2n1CCC2 ZINC000526115235 562267320 /nfs/dbraw/zinc/26/73/20/562267320.db2.gz MOHRGAAFDWDHLU-UHFFFAOYSA-N -1 1 353.354 2.444 20 0 FEADMM CO[C@@](C)([C@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000413966765 559143898 /nfs/dbraw/zinc/14/38/98/559143898.db2.gz ZVYAMKTWHCNGMO-GTNSWQLSSA-N -1 1 353.488 2.465 20 0 FEADMM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC000414445040 559164255 /nfs/dbraw/zinc/16/42/55/559164255.db2.gz REVJBVPUHJRBEF-UHFFFAOYSA-N -1 1 364.423 2.223 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)[nH]n1 ZINC000414445879 559164474 /nfs/dbraw/zinc/16/44/74/559164474.db2.gz UAWIMJOYSIHNFN-UHFFFAOYSA-N -1 1 370.862 2.484 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1=O ZINC000414662348 559178007 /nfs/dbraw/zinc/17/80/07/559178007.db2.gz RLCFHDHQZMQHPP-JSGCOSHPSA-N -1 1 374.359 2.227 20 0 FEADMM CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 ZINC000415648326 559257891 /nfs/dbraw/zinc/25/78/91/559257891.db2.gz OCKFKKUAEHCYMA-LLVKDONJSA-N -1 1 374.372 2.026 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 ZINC000415648326 559257892 /nfs/dbraw/zinc/25/78/92/559257892.db2.gz OCKFKKUAEHCYMA-LLVKDONJSA-N -1 1 374.372 2.026 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)CC(C)C ZINC000416050112 559290899 /nfs/dbraw/zinc/29/08/99/559290899.db2.gz ZCFOYRYRJAUTFM-LBPRGKRZSA-N -1 1 360.476 2.147 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000416173533 559296356 /nfs/dbraw/zinc/29/63/56/559296356.db2.gz CWAPFROGBBSPQD-JTQLQIEISA-N -1 1 363.345 2.068 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000416211658 559298590 /nfs/dbraw/zinc/29/85/90/559298590.db2.gz WJNVDSPLKLIRQP-QWHCGFSZSA-N -1 1 373.409 2.010 20 0 FEADMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C12CCC2 ZINC000416558046 559321628 /nfs/dbraw/zinc/32/16/28/559321628.db2.gz IAORCKXKTZBSFP-DTWKUNHWSA-N -1 1 350.234 2.278 20 0 FEADMM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000416553456 559321389 /nfs/dbraw/zinc/32/13/89/559321389.db2.gz IVAUNPNWCYDVIE-GFCCVEGCSA-N -1 1 357.378 2.028 20 0 FEADMM CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000416615534 559325373 /nfs/dbraw/zinc/32/53/73/559325373.db2.gz AWOAXDFNXWTDHP-ZETCQYMHSA-N -1 1 357.234 2.324 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)c(C(F)(F)F)n1 ZINC000416652648 559327715 /nfs/dbraw/zinc/32/77/15/559327715.db2.gz FJDZFEBSBOMGPK-LLVKDONJSA-N -1 1 369.409 2.049 20 0 FEADMM CC(=O)N[C@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)C(C)(C)C ZINC000419914113 559464175 /nfs/dbraw/zinc/46/41/75/559464175.db2.gz RUBCLQXGJCSFGU-OAHLLOKOSA-N -1 1 350.369 2.844 20 0 FEADMM O=C([O-])CC[C@@H]1CCCN(CC(=O)NCCCOc2ccccc2F)C1 ZINC000420272370 559478348 /nfs/dbraw/zinc/47/83/48/559478348.db2.gz LYCTYCZYXWXRAU-HNNXBMFYSA-N -1 1 366.433 2.288 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccnc1-c1cnn(C)c1 ZINC000421145295 559526614 /nfs/dbraw/zinc/52/66/14/559526614.db2.gz CXOOHNRTUSHDRQ-AWEZNQCLSA-N -1 1 352.460 2.285 20 0 FEADMM CCn1c([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)nc2cccnc21 ZINC000421248234 559533445 /nfs/dbraw/zinc/53/34/45/559533445.db2.gz KKRWGQPULZZJMN-OAHLLOKOSA-N -1 1 374.466 2.451 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC000421905708 559556051 /nfs/dbraw/zinc/55/60/51/559556051.db2.gz JZHSCTZZOQJWCG-UHFFFAOYSA-N -1 1 363.439 2.245 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@]12CCOC2 ZINC000422061503 559563390 /nfs/dbraw/zinc/56/33/90/559563390.db2.gz BDLYHZIRZYANLD-CYBMUJFWSA-N -1 1 359.163 2.002 20 0 FEADMM CC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000422121323 559566485 /nfs/dbraw/zinc/56/64/85/559566485.db2.gz FFMXREOMQVABEL-INIZCTEOSA-N -1 1 362.451 2.297 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H](C)CC)c2)n1 ZINC000422222127 559572233 /nfs/dbraw/zinc/57/22/33/559572233.db2.gz DACJHTOUPLXGMZ-LBPRGKRZSA-N -1 1 359.430 2.494 20 0 FEADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1 ZINC000424062521 559653221 /nfs/dbraw/zinc/65/32/21/559653221.db2.gz GTDKHNHUHDPMNB-ZDUSSCGKSA-N -1 1 354.472 2.383 20 0 FEADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000424264719 559659955 /nfs/dbraw/zinc/65/99/55/559659955.db2.gz UPWCRMXGCGHJAT-CQSZACIVSA-N -1 1 370.471 2.283 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000424389894 559662722 /nfs/dbraw/zinc/66/27/22/559662722.db2.gz MIGBHWFOHLQBNU-GDBMZVCRSA-N -1 1 353.438 2.475 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC[C@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000424394709 559662980 /nfs/dbraw/zinc/66/29/80/559662980.db2.gz NMSAZHVCHIFVOF-MAUKXSAKSA-N -1 1 361.486 2.479 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cccnc2)c(F)c1 ZINC000425184212 559689951 /nfs/dbraw/zinc/68/99/51/559689951.db2.gz DJKUOHJWVULUKR-LSDHHAIUSA-N -1 1 354.378 2.477 20 0 FEADMM O=C(C[C@H](c1ncc[nH]1)c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425295024 559695142 /nfs/dbraw/zinc/69/51/42/559695142.db2.gz FFTANKXWOSRSBU-CABCVRRESA-N -1 1 367.409 2.427 20 0 FEADMM COc1ccc(C(=O)C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1Cl ZINC000425301038 559695387 /nfs/dbraw/zinc/69/53/87/559695387.db2.gz LXLPFCNDGUQQER-JTQLQIEISA-N -1 1 365.773 2.026 20 0 FEADMM COc1ccc(-c2ocnc2C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425311823 559696109 /nfs/dbraw/zinc/69/61/09/559696109.db2.gz YPUJMCIPDXNRJK-GFCCVEGCSA-N -1 1 370.365 2.459 20 0 FEADMM C[C@@H]1CCN(c2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)ccn2)C1 ZINC000425326295 559696901 /nfs/dbraw/zinc/69/69/01/559696901.db2.gz UOOAUEOCCBUPFW-GFCCVEGCSA-N -1 1 357.414 2.036 20 0 FEADMM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000426096158 559729193 /nfs/dbraw/zinc/72/91/93/559729193.db2.gz KFTUDERXPQQPBP-HNNXBMFYSA-N -1 1 351.406 2.336 20 0 FEADMM Cc1cnn(C[C@H](NCc2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000426762282 559741565 /nfs/dbraw/zinc/74/15/65/559741565.db2.gz IWZFENXTSZXPCX-ZDUSSCGKSA-N -1 1 356.195 2.336 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC)c(Cl)c1 ZINC000427812522 559763328 /nfs/dbraw/zinc/76/33/28/559763328.db2.gz RFVONGCBYDWGDQ-AWEZNQCLSA-N -1 1 364.785 2.402 20 0 FEADMM Cn1[n-]c(CN2CCC[C@H]2c2ccc(Br)c(F)c2)nc1=O ZINC000430218705 559815541 /nfs/dbraw/zinc/81/55/41/559815541.db2.gz NRAFZPMXXWZQHZ-LBPRGKRZSA-N -1 1 355.211 2.347 20 0 FEADMM COc1cccc(OCCCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)c1 ZINC000432230891 559854464 /nfs/dbraw/zinc/85/44/64/559854464.db2.gz FEMYVNIDMKFIRI-UHFFFAOYSA-N -1 1 370.453 3.039 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@@H](N=c2[n-]c(C(N)=O)cs2)C1 ZINC000432339264 559856737 /nfs/dbraw/zinc/85/67/37/559856737.db2.gz SDDMJKITRQSXKA-SNVBAGLBSA-N -1 1 352.847 2.595 20 0 FEADMM CCCC[C@@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)Nc1cc(C)on1 ZINC000432652538 559862514 /nfs/dbraw/zinc/86/25/14/559862514.db2.gz CALMUHJJYPNTSL-LLVKDONJSA-N -1 1 352.416 2.782 20 0 FEADMM CCCC[C@@H](Sc1nc(C(=O)OC)c[n-]1)C(=O)Nc1cc(C)on1 ZINC000432652538 559862515 /nfs/dbraw/zinc/86/25/15/559862515.db2.gz CALMUHJJYPNTSL-LLVKDONJSA-N -1 1 352.416 2.782 20 0 FEADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(-n2cnnn2)cc1 ZINC000434628119 559903974 /nfs/dbraw/zinc/90/39/74/559903974.db2.gz CPDDDVMPEWQLBN-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM COc1cc(NC(=O)N2CCSC(C)(C)C2)ccc1[N-]S(C)(=O)=O ZINC000435116502 559916529 /nfs/dbraw/zinc/91/65/29/559916529.db2.gz BDUDABHZKHJHCE-UHFFFAOYSA-N -1 1 373.500 2.426 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC000435138373 559916961 /nfs/dbraw/zinc/91/69/61/559916961.db2.gz JKSFOEJRACIHEN-CQSZACIVSA-N -1 1 373.434 2.049 20 0 FEADMM O=c1c2ccccc2nc(SCc2nn[n-]n2)n1-c1ccc(F)cc1 ZINC000435181203 559917771 /nfs/dbraw/zinc/91/77/71/559917771.db2.gz DUBBKFJZEKSNLB-UHFFFAOYSA-N -1 1 354.370 2.330 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000435468649 559923867 /nfs/dbraw/zinc/92/38/67/559923867.db2.gz DWJOKZHCDUMWCF-UHFFFAOYSA-N -1 1 354.472 2.094 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C(F)F)c1cc(Br)sc1Cl ZINC000435639682 559927102 /nfs/dbraw/zinc/92/71/02/559927102.db2.gz XGXGIULEORURJR-VKHMYHEASA-N -1 1 370.624 2.068 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1cc(CC)ccn1 ZINC000435648830 559927245 /nfs/dbraw/zinc/92/72/45/559927245.db2.gz WPWZKSRKFWQWDX-UHFFFAOYSA-N -1 1 352.412 2.065 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c1 ZINC000436197891 559937384 /nfs/dbraw/zinc/93/73/84/559937384.db2.gz LJLMBJOOMLHAMN-UHFFFAOYSA-N -1 1 363.391 2.052 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)ccc2-n2cnnn2)c1 ZINC000436516519 559944133 /nfs/dbraw/zinc/94/41/33/559944133.db2.gz WKRIKQYEDPLHST-UHFFFAOYSA-N -1 1 373.756 2.060 20 0 FEADMM CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)c1cc(F)ccc1[O-] ZINC000436532109 559944594 /nfs/dbraw/zinc/94/45/94/559944594.db2.gz FFTSHDIZCCQXHQ-AWEZNQCLSA-N -1 1 364.398 2.298 20 0 FEADMM O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc(Br)cc1[O-] ZINC000436541449 559944909 /nfs/dbraw/zinc/94/49/09/559944909.db2.gz VHNRDWVLWQESIF-UHFFFAOYSA-N -1 1 365.109 2.222 20 0 FEADMM NC(=O)CNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436540688 559944915 /nfs/dbraw/zinc/94/49/15/559944915.db2.gz TVGHIUUFYHNUPW-UHFFFAOYSA-N -1 1 363.373 2.013 20 0 FEADMM COc1ccc(C(=O)Nc2cc(C)ccc2NS(C)(=O)=O)c([O-])c1 ZINC000436589082 559945897 /nfs/dbraw/zinc/94/58/97/559945897.db2.gz JRXFFKBFIAPPSF-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436639755 559947405 /nfs/dbraw/zinc/94/74/05/559947405.db2.gz MMJKIZIRCCGEAQ-AWEZNQCLSA-N -1 1 354.406 2.253 20 0 FEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436705561 559949427 /nfs/dbraw/zinc/94/94/27/559949427.db2.gz PLLJSLPWBZDVIO-ZDUSSCGKSA-N -1 1 350.378 2.375 20 0 FEADMM CNC(=O)c1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436763640 559951298 /nfs/dbraw/zinc/95/12/98/559951298.db2.gz YOVXSRRPYWQVKJ-UHFFFAOYSA-N -1 1 363.211 2.444 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@@H](C)S1(=O)=O ZINC000436794204 559952289 /nfs/dbraw/zinc/95/22/89/559952289.db2.gz ULADBOBQALHRFF-MWLCHTKSSA-N -1 1 361.847 2.092 20 0 FEADMM COCCNC(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000436800143 559952364 /nfs/dbraw/zinc/95/23/64/559952364.db2.gz TUDZFRNNHXGBGO-UHFFFAOYSA-N -1 1 364.785 2.380 20 0 FEADMM Cc1ccc(CNC(=O)c2ccc(Br)cc2[O-])c(=O)n1C ZINC000436815275 559952941 /nfs/dbraw/zinc/95/29/41/559952941.db2.gz KSCYPUBSHXCXKW-UHFFFAOYSA-N -1 1 351.200 2.092 20 0 FEADMM O=C(NC[C@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436824103 559953164 /nfs/dbraw/zinc/95/31/64/559953164.db2.gz YRMNFBJEBRSAAL-SNVBAGLBSA-N -1 1 351.346 2.108 20 0 FEADMM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436861984 559954651 /nfs/dbraw/zinc/95/46/51/559954651.db2.gz WVJNRRPFYBXUBY-INIZCTEOSA-N -1 1 354.362 2.331 20 0 FEADMM O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436878030 559955048 /nfs/dbraw/zinc/95/50/48/559955048.db2.gz BFJHPRFBMZCZID-HNNXBMFYSA-N -1 1 352.390 2.452 20 0 FEADMM O=C(NCc1ccc(O)c(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000436964084 559957616 /nfs/dbraw/zinc/95/76/16/559957616.db2.gz PFDHANKPECOTOQ-UHFFFAOYSA-N -1 1 350.168 2.359 20 0 FEADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCCF ZINC000437682635 559967851 /nfs/dbraw/zinc/96/78/51/559967851.db2.gz XDRNGQFWZHYIJI-UHFFFAOYSA-N -1 1 354.378 2.255 20 0 FEADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000438724475 559982775 /nfs/dbraw/zinc/98/27/75/559982775.db2.gz QLSBHDKGUYCRAQ-UHFFFAOYSA-N -1 1 369.464 2.427 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1 ZINC000438767799 559983397 /nfs/dbraw/zinc/98/33/97/559983397.db2.gz ATMAZEQZTINXEH-UHFFFAOYSA-N -1 1 355.437 2.295 20 0 FEADMM CSc1nc(=NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])[nH][nH]1 ZINC000439149504 559989188 /nfs/dbraw/zinc/98/91/88/559989188.db2.gz BBXGGYMWCVYURO-UHFFFAOYSA-N -1 1 358.427 2.794 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1nncn1C ZINC000439195099 559989794 /nfs/dbraw/zinc/98/97/94/559989794.db2.gz ADLQKTUMGZJGTP-SSDOTTSWSA-N -1 1 367.233 2.343 20 0 FEADMM Cc1nc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)sc1C ZINC000440548792 560014144 /nfs/dbraw/zinc/01/41/44/560014144.db2.gz MUZGHJQQNVMOGC-UHFFFAOYSA-N -1 1 371.484 2.360 20 0 FEADMM COc1cc(C(=O)NCCNC(=O)c2ccccc2F)cc(Cl)c1[O-] ZINC000443057730 560068389 /nfs/dbraw/zinc/06/83/89/560068389.db2.gz KYPWTEFVUFZGIG-UHFFFAOYSA-N -1 1 366.776 2.353 20 0 FEADMM COc1cc(C(=O)N(CCO)CCOCC(F)(F)F)cc(Cl)c1[O-] ZINC000443060464 560068529 /nfs/dbraw/zinc/06/85/29/560068529.db2.gz RWIDORYUZXLPJX-UHFFFAOYSA-N -1 1 371.739 2.068 20 0 FEADMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)no1 ZINC000443144158 560072392 /nfs/dbraw/zinc/07/23/92/560072392.db2.gz KNUZMRIPWQALIC-UHFFFAOYSA-N -1 1 364.349 2.259 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn(C)c3=O)cc1OC ZINC000443530205 560086613 /nfs/dbraw/zinc/08/66/13/560086613.db2.gz NNWFFCIVHIZQMJ-UHFFFAOYSA-N -1 1 374.418 2.357 20 0 FEADMM CCCN(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000443589020 560088300 /nfs/dbraw/zinc/08/83/00/560088300.db2.gz DWBFZSFLKIXGIG-UHFFFAOYSA-N -1 1 368.484 2.224 20 0 FEADMM COc1ccc2nc(C3CC3)cc(C(=O)NC(C)(C)c3nn[n-]n3)c2c1 ZINC000443796378 560093034 /nfs/dbraw/zinc/09/30/34/560093034.db2.gz BMMIVODTRXKGCM-UHFFFAOYSA-N -1 1 352.398 2.299 20 0 FEADMM O=c1n(Cc2noc(-c3ccc4ccccc4c3[O-])n2)nc2ccccn21 ZINC000445661284 560133626 /nfs/dbraw/zinc/13/36/26/560133626.db2.gz DCIIKSVOGCZLIO-UHFFFAOYSA-N -1 1 359.345 2.453 20 0 FEADMM COc1ccc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)c(F)c1 ZINC000446960933 560154321 /nfs/dbraw/zinc/15/43/21/560154321.db2.gz SAHSMYNVQZCTRF-LBPRGKRZSA-N -1 1 367.324 2.150 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)s1 ZINC000447270843 560159152 /nfs/dbraw/zinc/15/91/52/560159152.db2.gz MVPSWDPNOVAWIS-UHFFFAOYSA-N -1 1 353.404 2.431 20 0 FEADMM NC(=O)c1cccc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)c1 ZINC000447481615 560163108 /nfs/dbraw/zinc/16/31/08/560163108.db2.gz OTSOJJXWOBPBNE-UHFFFAOYSA-N -1 1 359.382 2.289 20 0 FEADMM NC(=O)c1cccc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)c1 ZINC000447481615 560163109 /nfs/dbraw/zinc/16/31/09/560163109.db2.gz OTSOJJXWOBPBNE-UHFFFAOYSA-N -1 1 359.382 2.289 20 0 FEADMM CCc1nnc([C@@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)o1 ZINC000447498833 560163170 /nfs/dbraw/zinc/16/31/70/560163170.db2.gz KDZCGTZNDGGRAG-SNVBAGLBSA-N -1 1 373.438 2.441 20 0 FEADMM CCc1nnc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)o1 ZINC000447498833 560163171 /nfs/dbraw/zinc/16/31/71/560163171.db2.gz KDZCGTZNDGGRAG-SNVBAGLBSA-N -1 1 373.438 2.441 20 0 FEADMM Cc1ccc(-c2nnc(CS(=O)(=O)c3nc(C(C)(C)C)n[n-]3)o2)cc1 ZINC000447495162 560163336 /nfs/dbraw/zinc/16/33/36/560163336.db2.gz GYOFKLKQEMUGRQ-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccc(-c2nnc(CS(=O)(=O)c3n[n-]c(C(C)(C)C)n3)o2)cc1 ZINC000447495162 560163337 /nfs/dbraw/zinc/16/33/37/560163337.db2.gz GYOFKLKQEMUGRQ-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(F)c1Cl ZINC000447550173 560164344 /nfs/dbraw/zinc/16/43/44/560164344.db2.gz MIDNHIICKWMIOD-UHFFFAOYSA-N -1 1 358.778 2.393 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c(C)noc3C)c2)n1 ZINC000447674619 560166453 /nfs/dbraw/zinc/16/64/53/560166453.db2.gz FJJPIAYAQJXRLN-UHFFFAOYSA-N -1 1 369.381 2.183 20 0 FEADMM CC[C@@H]1C[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC(=O)N1 ZINC000450692702 560270355 /nfs/dbraw/zinc/27/03/55/560270355.db2.gz COVUNSAABKAEHV-VHSXEESVSA-N -1 1 363.805 2.074 20 0 FEADMM CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC(=O)N1 ZINC000450692702 560270356 /nfs/dbraw/zinc/27/03/56/560270356.db2.gz COVUNSAABKAEHV-VHSXEESVSA-N -1 1 363.805 2.074 20 0 FEADMM Cc1c(CCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cnn1C ZINC000450699804 560270571 /nfs/dbraw/zinc/27/05/71/560270571.db2.gz RWLQWZUKIQWFBQ-UHFFFAOYSA-N -1 1 360.805 2.444 20 0 FEADMM Cc1c(CCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cnn1C ZINC000450699804 560270572 /nfs/dbraw/zinc/27/05/72/560270572.db2.gz RWLQWZUKIQWFBQ-UHFFFAOYSA-N -1 1 360.805 2.444 20 0 FEADMM COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450920192 560278644 /nfs/dbraw/zinc/27/86/44/560278644.db2.gz UPEDLIBETNRXAU-GFCCVEGCSA-N -1 1 360.414 2.299 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C(C)C)c(F)c1 ZINC000450964294 560280276 /nfs/dbraw/zinc/28/02/76/560280276.db2.gz FJAQLSADPKDSOD-UHFFFAOYSA-N -1 1 352.453 2.006 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000451118029 560288003 /nfs/dbraw/zinc/28/80/03/560288003.db2.gz WFVDMEPJLQSOHF-UHFFFAOYSA-N -1 1 356.835 2.395 20 0 FEADMM NC(=O)[C@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451319859 560300029 /nfs/dbraw/zinc/30/00/29/560300029.db2.gz OCOWQWJZJAYQAG-STQMWFEESA-N -1 1 354.403 2.284 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1ccsc1 ZINC000451401361 560304530 /nfs/dbraw/zinc/30/45/30/560304530.db2.gz FOCDHKKFHNPMTO-HNNXBMFYSA-N -1 1 369.464 2.098 20 0 FEADMM CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451401881 560304717 /nfs/dbraw/zinc/30/47/17/560304717.db2.gz ADDPZRAVKAUOGV-UHFFFAOYSA-N -1 1 363.432 2.065 20 0 FEADMM CCOc1ccncc1S(=O)(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000451466618 560308669 /nfs/dbraw/zinc/30/86/69/560308669.db2.gz PCUWDSCHKIQGGB-UHFFFAOYSA-N -1 1 369.409 2.033 20 0 FEADMM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(C)C ZINC000451832762 560331441 /nfs/dbraw/zinc/33/14/41/560331441.db2.gz GYXGZOQWFZEQEJ-YEWWUXTCSA-N -1 1 373.515 2.277 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)o1 ZINC000451959407 560340728 /nfs/dbraw/zinc/34/07/28/560340728.db2.gz NJKCJQZJDUGHCD-UHFFFAOYSA-N -1 1 356.375 2.031 20 0 FEADMM CCc1nc(CNC(=O)c2cc(Br)cc(Cl)c2[O-])n[nH]1 ZINC000452182307 560354843 /nfs/dbraw/zinc/35/48/43/560354843.db2.gz OZBNJUYOPWHCMR-UHFFFAOYSA-N -1 1 359.611 2.419 20 0 FEADMM CC1(C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@](C)(C(F)(F)F)O1 ZINC000454239761 560436011 /nfs/dbraw/zinc/43/60/11/560436011.db2.gz HBZBHZJITDLTLR-INIZCTEOSA-N -1 1 369.343 2.495 20 0 FEADMM COc1cc(NC(=O)N2CCC(CF)CC2)ccc1[N-]S(C)(=O)=O ZINC000454761938 560457123 /nfs/dbraw/zinc/45/71/23/560457123.db2.gz BVBKXIANJRIFOS-UHFFFAOYSA-N -1 1 359.423 2.280 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)[C@@H](OC)C2CC2)cc1[N-]S(C)(=O)=O ZINC000454894957 560462518 /nfs/dbraw/zinc/46/25/18/560462518.db2.gz NXVWEONGPRMITR-MEBBXXQBSA-N -1 1 371.459 2.002 20 0 FEADMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H](C)O ZINC000456193874 560510395 /nfs/dbraw/zinc/51/03/95/560510395.db2.gz PKHCYHUXIKXLRO-CXAGYDPISA-N -1 1 362.451 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)co1 ZINC000456556250 560524264 /nfs/dbraw/zinc/52/42/64/560524264.db2.gz HPXHZNGXPGZQJK-AWEZNQCLSA-N -1 1 350.396 2.148 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)o1 ZINC000456564227 560524465 /nfs/dbraw/zinc/52/44/65/560524465.db2.gz MMOHKQGRMWSDAH-AWEZNQCLSA-N -1 1 350.396 2.148 20 0 FEADMM COc1cc(C(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000456650564 560527288 /nfs/dbraw/zinc/52/72/88/560527288.db2.gz DLEOOOHZSHCBHO-JVXZTZIISA-N -1 1 353.724 2.440 20 0 FEADMM CO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456665059 560527955 /nfs/dbraw/zinc/52/79/55/560527955.db2.gz WGTQVBKRKJXGAD-JKSUJKDBSA-N -1 1 372.469 2.400 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@]3(C)CCCCO3)c2)n1 ZINC000457762072 560586302 /nfs/dbraw/zinc/58/63/02/560586302.db2.gz JKMAFJCZGDKOJU-IBGZPJMESA-N -1 1 372.425 2.224 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2C[C@@H](OC(C)C)C2)cc1[N-]S(C)(=O)=O ZINC000459163688 560671712 /nfs/dbraw/zinc/67/17/12/560671712.db2.gz UXSTYZIDTFEXIL-BETUJISGSA-N -1 1 371.459 2.144 20 0 FEADMM CO[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCOC1 ZINC000460915944 560755477 /nfs/dbraw/zinc/75/54/77/560755477.db2.gz XXWULTRSDVZQDD-GFCCVEGCSA-N -1 1 373.780 2.443 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3(F)F)C2)o1 ZINC000461273015 560765534 /nfs/dbraw/zinc/76/55/34/560765534.db2.gz GKUKGHNEUOUNJK-UHFFFAOYSA-N -1 1 362.398 2.228 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000461451086 560771938 /nfs/dbraw/zinc/77/19/38/560771938.db2.gz CFMUXEAKFCVLLI-DTWKUNHWSA-N -1 1 366.361 2.217 20 0 FEADMM O=C(NCc1c[nH]cn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461465242 560772877 /nfs/dbraw/zinc/77/28/77/560772877.db2.gz NYCGHPPAHROZES-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM CC[C@H](C)[C@](C)(O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461583264 560775809 /nfs/dbraw/zinc/77/58/09/560775809.db2.gz KTJFMXWXFTZXNO-HXPMCKFVSA-N -1 1 358.442 2.008 20 0 FEADMM CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000461991382 560791142 /nfs/dbraw/zinc/79/11/42/560791142.db2.gz CWQUVKUCILRKKK-UHFFFAOYSA-N -1 1 367.365 2.264 20 0 FEADMM COC(=O)c1cc(C)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000462014743 560792646 /nfs/dbraw/zinc/79/26/46/560792646.db2.gz NBCIHWCQLLSJPO-UHFFFAOYSA-N -1 1 368.349 2.092 20 0 FEADMM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC000462082952 560795942 /nfs/dbraw/zinc/79/59/42/560795942.db2.gz YZZJHEORHJTBEK-UHFFFAOYSA-N -1 1 352.368 2.354 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C(=O)OC)cs2)o1 ZINC000462323455 560806007 /nfs/dbraw/zinc/80/60/07/560806007.db2.gz UMQYHSPLCRFYEX-GFCCVEGCSA-N -1 1 373.452 2.356 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2OC)o1 ZINC000462398387 560808749 /nfs/dbraw/zinc/80/87/49/560808749.db2.gz RAKYWYAKSHETLS-SECBINFHSA-N -1 1 357.359 2.253 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2(C)C)o1 ZINC000463866103 560827340 /nfs/dbraw/zinc/82/73/40/560827340.db2.gz PFWPKZNDOKNSKC-QWHCGFSZSA-N -1 1 359.444 2.327 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)ccc1C ZINC000467090414 560903428 /nfs/dbraw/zinc/90/34/28/560903428.db2.gz KDJALBMCEATMJE-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM Cc1cc(C(=O)Nc2nc3c(cccc3F)n2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468357083 560927906 /nfs/dbraw/zinc/92/79/06/560927906.db2.gz IRTHUUYYEJEAIP-UHFFFAOYSA-N -1 1 368.328 2.023 20 0 FEADMM Cc1cc(C(=O)Nc2nc3c(cccc3F)n2C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468357083 560927907 /nfs/dbraw/zinc/92/79/07/560927907.db2.gz IRTHUUYYEJEAIP-UHFFFAOYSA-N -1 1 368.328 2.023 20 0 FEADMM CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)c1ccc(OC)cc1 ZINC000468508326 560931818 /nfs/dbraw/zinc/93/18/18/560931818.db2.gz YSXVKIXISRMKFA-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM CCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1)c1ccc(OC)cc1 ZINC000468508326 560931819 /nfs/dbraw/zinc/93/18/19/560931819.db2.gz YSXVKIXISRMKFA-UHFFFAOYSA-N -1 1 354.366 2.420 20 0 FEADMM N=c1nc(N2CCN(Cc3ncc(-c4cccc(F)c4)o3)CC2)s[n-]1 ZINC000468809011 560939280 /nfs/dbraw/zinc/93/92/80/560939280.db2.gz CIJNEPBUKAFAMB-UHFFFAOYSA-N -1 1 360.418 2.237 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(OC)ccc1O ZINC000468820071 560939747 /nfs/dbraw/zinc/93/97/47/560939747.db2.gz DRWNYIJDORMLLW-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC)C(F)(F)F ZINC000468963372 560943442 /nfs/dbraw/zinc/94/34/42/560943442.db2.gz NPERXAXWYIIEJV-LBPRGKRZSA-N -1 1 354.350 2.273 20 0 FEADMM C[C@@H](c1ccc(OC(F)F)cc1)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000469287489 560951753 /nfs/dbraw/zinc/95/17/53/560951753.db2.gz XUNYNPKQRYZJCZ-JTQLQIEISA-N -1 1 355.414 2.605 20 0 FEADMM Cc1cc(C(=O)N2C[C@H](C)Oc3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469975967 560970223 /nfs/dbraw/zinc/97/02/23/560970223.db2.gz UVPDRNFSJDVMTK-JTQLQIEISA-N -1 1 352.350 2.172 20 0 FEADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CNC(=O)c3ncccc3[O-])C2)cc1 ZINC000470562891 560984555 /nfs/dbraw/zinc/98/45/55/560984555.db2.gz DUIONHMZHHHKHS-GOEBONIOSA-N -1 1 353.422 2.230 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)NC(=O)CO3)sc1C ZINC000470763445 560989176 /nfs/dbraw/zinc/98/91/76/560989176.db2.gz BYKJKJMIKVJLME-VIFPVBQESA-N -1 1 367.452 2.130 20 0 FEADMM Cc1c2cc(Br)ccc2oc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470980402 560995743 /nfs/dbraw/zinc/99/57/43/560995743.db2.gz YFAISTFNIZBJFV-UHFFFAOYSA-N -1 1 362.187 2.436 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1)c1cccs1 ZINC000472123373 561018738 /nfs/dbraw/zinc/01/87/38/561018738.db2.gz BCKVHBIVRPGDNU-OAHLLOKOSA-N -1 1 368.480 2.315 20 0 FEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)s1 ZINC000473205203 561044285 /nfs/dbraw/zinc/04/42/85/561044285.db2.gz AHCNHRHJEMMFBO-QMMMGPOBSA-N -1 1 352.416 2.057 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)c2ccc(Br)cc2n1 ZINC000473382916 561049052 /nfs/dbraw/zinc/04/90/52/561049052.db2.gz GBSOHCAJDDWNBX-UHFFFAOYSA-N -1 1 373.214 2.238 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473655894 561055160 /nfs/dbraw/zinc/05/51/60/561055160.db2.gz FQKIJRQLJVJGEU-UKRRQHHQSA-N -1 1 357.385 2.109 20 0 FEADMM NC(=O)C1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCCC1 ZINC000473853368 561059357 /nfs/dbraw/zinc/05/93/57/561059357.db2.gz CXLZCFUEFNZIEX-UHFFFAOYSA-N -1 1 369.245 2.457 20 0 FEADMM COCCOc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(Cl)c1 ZINC000474130510 561066500 /nfs/dbraw/zinc/06/65/00/561066500.db2.gz DWPBGODRJDJVRZ-UHFFFAOYSA-N -1 1 365.821 2.078 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000474316002 561071050 /nfs/dbraw/zinc/07/10/50/561071050.db2.gz JCYKYUUQDWYFAK-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2csc(-c3ccc(F)cc3)n2)[n-]1 ZINC000474440455 561074148 /nfs/dbraw/zinc/07/41/48/561074148.db2.gz SVCAUKRKVUATQC-UHFFFAOYSA-N -1 1 368.415 2.188 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2csc(-c3ccc(F)cc3)n2)n[n-]1 ZINC000474440455 561074149 /nfs/dbraw/zinc/07/41/49/561074149.db2.gz SVCAUKRKVUATQC-UHFFFAOYSA-N -1 1 368.415 2.188 20 0 FEADMM CC(C)(NC(=O)CSCc1cc(-c2cccs2)on1)c1nn[n-]n1 ZINC000474993102 561087234 /nfs/dbraw/zinc/08/72/34/561087234.db2.gz IGHYCDXBJVORCX-UHFFFAOYSA-N -1 1 364.456 2.201 20 0 FEADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000475003438 561087428 /nfs/dbraw/zinc/08/74/28/561087428.db2.gz TVECNVKTTDFXKH-UHFFFAOYSA-N -1 1 369.429 2.085 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cn1 ZINC000475793606 561105523 /nfs/dbraw/zinc/10/55/23/561105523.db2.gz XOMHOHFFWHJQAS-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000475872392 561107092 /nfs/dbraw/zinc/10/70/92/561107092.db2.gz BGLFGJBMRQWLKW-LBPRGKRZSA-N -1 1 360.476 2.147 20 0 FEADMM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000476466515 561120276 /nfs/dbraw/zinc/12/02/76/561120276.db2.gz YRHUZUPICHGFRW-UHFFFAOYSA-N -1 1 360.391 2.108 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1NC(C)=O ZINC000476486661 561120739 /nfs/dbraw/zinc/12/07/39/561120739.db2.gz JSNMMVONVLZTFY-UHFFFAOYSA-N -1 1 364.379 2.183 20 0 FEADMM O=C(CCCc1ccccc1Br)NC1(c2nn[n-]n2)CC1 ZINC000477041672 561135041 /nfs/dbraw/zinc/13/50/41/561135041.db2.gz UKFNWBZTTAZFLI-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477044447 561135211 /nfs/dbraw/zinc/13/52/11/561135211.db2.gz PDINIFWRUXBLMS-MRVPVSSYSA-N -1 1 368.210 2.085 20 0 FEADMM Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477129027 561137409 /nfs/dbraw/zinc/13/74/09/561137409.db2.gz XUKOXXMGGCEVQG-UHFFFAOYSA-N -1 1 365.393 2.440 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CC[C@@H](C)O2)no1 ZINC000528253250 562319725 /nfs/dbraw/zinc/31/97/25/562319725.db2.gz QLBGDBPWMKBXFM-YGRLFVJLSA-N -1 1 353.382 2.354 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCCC12OCCO2)c1ccc(F)cc1 ZINC000528353220 562324318 /nfs/dbraw/zinc/32/43/18/562324318.db2.gz TXYBPZLSHIRKPW-HZPDHXFCSA-N -1 1 373.446 2.118 20 0 FEADMM Cc1cccc(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1Br ZINC000529022060 562356990 /nfs/dbraw/zinc/35/69/90/562356990.db2.gz QQYWMEHENVDZDN-JTQLQIEISA-N -1 1 352.236 2.075 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529590787 562378287 /nfs/dbraw/zinc/37/82/87/562378287.db2.gz NPUUAXIMDCJKHC-VNQPRFMTSA-N -1 1 352.438 2.235 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000529948653 562392437 /nfs/dbraw/zinc/39/24/37/562392437.db2.gz BHEYXYRNIUPCQL-ZDUSSCGKSA-N -1 1 354.410 2.081 20 0 FEADMM CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1nc3ccccc3c(=O)[n-]1)C2 ZINC000530189833 562401740 /nfs/dbraw/zinc/40/17/40/562401740.db2.gz JSIQYFLRWADNIW-UHFFFAOYSA-N -1 1 363.421 2.209 20 0 FEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC(C)(C)c1nn[n-]n1)O[C@@H](C)C2 ZINC000530619794 562418070 /nfs/dbraw/zinc/41/80/70/562418070.db2.gz ACXDODOISDGRGN-JKOKRWQUSA-N -1 1 371.441 2.077 20 0 FEADMM CCCC[C@@H](COC)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000531340170 562442558 /nfs/dbraw/zinc/44/25/58/562442558.db2.gz CHLRTWSDHSEHJZ-ZDUSSCGKSA-N -1 1 373.475 2.393 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000532128044 562468089 /nfs/dbraw/zinc/46/80/89/562468089.db2.gz OSHXCCPFCBJNRP-SFHVURJKSA-N -1 1 370.457 2.231 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1ccc(F)c(F)c1F ZINC000532167220 562469420 /nfs/dbraw/zinc/46/94/20/562469420.db2.gz CQFFSVKLYQDGID-UHFFFAOYSA-N -1 1 373.278 2.341 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000532711917 562486369 /nfs/dbraw/zinc/48/63/69/562486369.db2.gz QNEYEEFGHUJBBR-OLZOCXBDSA-N -1 1 350.415 2.218 20 0 FEADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)c2C)o1 ZINC000532768383 562488070 /nfs/dbraw/zinc/48/80/70/562488070.db2.gz JLINFYZFUYAGRW-UHFFFAOYSA-N -1 1 374.422 2.495 20 0 FEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881987 562491587 /nfs/dbraw/zinc/49/15/87/562491587.db2.gz SUSAEPQNVQXELL-CABCVRRESA-N -1 1 373.453 2.327 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000532881886 562491601 /nfs/dbraw/zinc/49/16/01/562491601.db2.gz VTEJAJIPBRFPOH-CYBMUJFWSA-N -1 1 354.834 2.022 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)c(=O)[n-]1 ZINC000533364902 562506515 /nfs/dbraw/zinc/50/65/15/562506515.db2.gz MBMASPPPZNKFPR-UONOGXRCSA-N -1 1 365.499 2.420 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1cccc2ccccc21 ZINC000533554907 562513107 /nfs/dbraw/zinc/51/31/07/562513107.db2.gz ZDUDLSSSAIIGSS-UHFFFAOYSA-N -1 1 373.434 2.261 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000534205658 562527402 /nfs/dbraw/zinc/52/74/02/562527402.db2.gz ROQJBBIMRGCZFL-UHFFFAOYSA-N -1 1 360.391 2.112 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cc2n(C)c1=O ZINC000535137641 562551751 /nfs/dbraw/zinc/55/17/51/562551751.db2.gz MCPIXOPOVUEGOE-UHFFFAOYSA-N -1 1 369.805 2.470 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000535151065 562552050 /nfs/dbraw/zinc/55/20/50/562552050.db2.gz LYRJLKOZYFTKOZ-NSHDSACASA-N -1 1 365.890 2.301 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)Cc2ccc(OC)cc2)c1 ZINC000536155362 562573330 /nfs/dbraw/zinc/57/33/30/562573330.db2.gz MRXYFAFHVUARLC-LBPRGKRZSA-N -1 1 367.423 2.232 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000537037251 562584517 /nfs/dbraw/zinc/58/45/17/562584517.db2.gz XBKKDHKLEHFTHL-UHFFFAOYSA-N -1 1 370.452 2.005 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccccc1 ZINC000540939828 562597692 /nfs/dbraw/zinc/59/76/92/562597692.db2.gz BIBQMCPKNVCECB-OAHLLOKOSA-N -1 1 355.362 2.299 20 0 FEADMM COc1ccc([C@H]2CCCCCN2C(=O)c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000541842030 562621325 /nfs/dbraw/zinc/62/13/25/562621325.db2.gz HITXECBCXANPLG-MRXNPFEDSA-N -1 1 367.409 2.184 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c1 ZINC000542001690 562625496 /nfs/dbraw/zinc/62/54/96/562625496.db2.gz TZGYGVLPFZVNGE-UHFFFAOYSA-N -1 1 355.391 2.335 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(C[C@@H](C)c2ccccc2)no1 ZINC000546470648 562637356 /nfs/dbraw/zinc/63/73/56/562637356.db2.gz CDPXHXYZAQOFLQ-CQSZACIVSA-N -1 1 367.471 2.260 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)c2cnc3c(C)cc(F)cc3c2O)s[n-]1 ZINC000549775021 562639550 /nfs/dbraw/zinc/63/95/50/562639550.db2.gz TVOZKOIGDCUXQB-MRVPVSSYSA-N -1 1 362.386 2.209 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(Cc3cccc(Cl)c3)CC2)n[n-]1 ZINC000603022058 568052558 /nfs/dbraw/zinc/05/25/58/568052558.db2.gz NROKSTZHCAJUSM-UHFFFAOYSA-N -1 1 362.817 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(Cc3cccc(Cl)c3)CC2)n1 ZINC000603022058 568052559 /nfs/dbraw/zinc/05/25/59/568052559.db2.gz NROKSTZHCAJUSM-UHFFFAOYSA-N -1 1 362.817 2.274 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(F)c(Cl)c2F)n[n-]1 ZINC000603153062 568065192 /nfs/dbraw/zinc/06/51/92/568065192.db2.gz GFTYMCYLWSVGFU-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(F)c(Cl)c2F)[n-]1 ZINC000603153062 568065193 /nfs/dbraw/zinc/06/51/93/568065193.db2.gz GFTYMCYLWSVGFU-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000603153062 568065194 /nfs/dbraw/zinc/06/51/94/568065194.db2.gz GFTYMCYLWSVGFU-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)n[n-]1 ZINC000603165897 568070077 /nfs/dbraw/zinc/07/00/77/568070077.db2.gz MIPCISYOTFEPOX-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)[n-]1 ZINC000603165897 568070078 /nfs/dbraw/zinc/07/00/78/568070078.db2.gz MIPCISYOTFEPOX-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000603165897 568070079 /nfs/dbraw/zinc/07/00/79/568070079.db2.gz MIPCISYOTFEPOX-MRVPVSSYSA-N -1 1 356.304 2.491 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc4ncccc43)no2)co1 ZINC000349692686 568116725 /nfs/dbraw/zinc/11/67/25/568116725.db2.gz NNHJFQHNPNQWKT-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603941845 568185191 /nfs/dbraw/zinc/18/51/91/568185191.db2.gz BDVDVVHPFXMAJG-CYBMUJFWSA-N -1 1 362.455 2.369 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(c2cccc(F)c2F)CC1 ZINC000604421115 568281112 /nfs/dbraw/zinc/28/11/12/568281112.db2.gz GUYMDLWCTIUNRB-UHFFFAOYSA-N -1 1 370.359 2.164 20 0 FEADMM C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736203393 598873675 /nfs/dbraw/zinc/87/36/75/598873675.db2.gz NLSKOOCQFOIMHI-VIFPVBQESA-N -1 1 367.818 2.495 20 0 FEADMM C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736203393 598873676 /nfs/dbraw/zinc/87/36/76/598873676.db2.gz NLSKOOCQFOIMHI-VIFPVBQESA-N -1 1 367.818 2.495 20 0 FEADMM C[C@H]1NC(=S)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000736296939 598887410 /nfs/dbraw/zinc/88/74/10/598887410.db2.gz KXVZMLRUTQGISJ-SECBINFHSA-N -1 1 370.463 2.200 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736747983 598945774 /nfs/dbraw/zinc/94/57/74/598945774.db2.gz VADLHXUZMZNVBL-HTQZYQBOSA-N -1 1 355.855 2.036 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736747983 598945776 /nfs/dbraw/zinc/94/57/76/598945776.db2.gz VADLHXUZMZNVBL-HTQZYQBOSA-N -1 1 355.855 2.036 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)COC3)cccc1-c1nn[nH]n1 ZINC000822130128 607255884 /nfs/dbraw/zinc/25/58/84/607255884.db2.gz PYGVIMKPMPBRAP-UHFFFAOYSA-N -1 1 357.395 2.006 20 0 FEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccsc1 ZINC000736141956 598976663 /nfs/dbraw/zinc/97/66/63/598976663.db2.gz LWRBTKXBYDCNRU-INIZCTEOSA-N -1 1 353.411 2.191 20 0 FEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccsc1 ZINC000736141956 598976664 /nfs/dbraw/zinc/97/66/64/598976664.db2.gz LWRBTKXBYDCNRU-INIZCTEOSA-N -1 1 353.411 2.191 20 0 FEADMM Cc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737343704 598985365 /nfs/dbraw/zinc/98/53/65/598985365.db2.gz UEVFKVOCZSELNV-UHFFFAOYSA-N -1 1 360.381 2.067 20 0 FEADMM Cc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737343704 598985367 /nfs/dbraw/zinc/98/53/67/598985367.db2.gz UEVFKVOCZSELNV-UHFFFAOYSA-N -1 1 360.381 2.067 20 0 FEADMM O=C(Nc1cc(Cl)ccc1-n1cccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738147411 598994536 /nfs/dbraw/zinc/99/45/36/598994536.db2.gz VVMXRUGIBQXOFW-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM O=C(Nc1cc(Cl)ccc1-n1cccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738147411 598994537 /nfs/dbraw/zinc/99/45/37/598994537.db2.gz VVMXRUGIBQXOFW-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737998657 598995875 /nfs/dbraw/zinc/99/58/75/598995875.db2.gz OMZOZZTWEXYEPH-HZPDHXFCSA-N -1 1 368.372 2.051 20 0 FEADMM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737998657 598995877 /nfs/dbraw/zinc/99/58/77/598995877.db2.gz OMZOZZTWEXYEPH-HZPDHXFCSA-N -1 1 368.372 2.051 20 0 FEADMM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737998654 598996264 /nfs/dbraw/zinc/99/62/64/598996264.db2.gz OMZOZZTWEXYEPH-CVEARBPZSA-N -1 1 368.372 2.051 20 0 FEADMM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737998654 598996266 /nfs/dbraw/zinc/99/62/66/598996266.db2.gz OMZOZZTWEXYEPH-CVEARBPZSA-N -1 1 368.372 2.051 20 0 FEADMM Cc1cc(Cl)ccc1OCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737264981 598998087 /nfs/dbraw/zinc/99/80/87/598998087.db2.gz ROHVIOLFGGUVNL-UHFFFAOYSA-N -1 1 372.816 2.422 20 0 FEADMM Cc1cc(Cl)ccc1OCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737264981 598998089 /nfs/dbraw/zinc/99/80/89/598998089.db2.gz ROHVIOLFGGUVNL-UHFFFAOYSA-N -1 1 372.816 2.422 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc(C)c(C)nn1 ZINC000737273501 599008099 /nfs/dbraw/zinc/00/80/99/599008099.db2.gz DAXDWLXNTXQZNE-UHFFFAOYSA-N -1 1 364.369 2.218 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(C)c(C)nn1 ZINC000737273501 599008101 /nfs/dbraw/zinc/00/81/01/599008101.db2.gz DAXDWLXNTXQZNE-UHFFFAOYSA-N -1 1 364.369 2.218 20 0 FEADMM CC[C@@H](NC(=S)NNc1oc(C)nc1-c1nn[n-]n1)c1cccs1 ZINC000736369652 599013739 /nfs/dbraw/zinc/01/37/39/599013739.db2.gz KEHOWTBHYBTYJU-MRVPVSSYSA-N -1 1 364.460 2.167 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000738258626 599016144 /nfs/dbraw/zinc/01/61/44/599016144.db2.gz JEOLORKMYAMCAG-UHFFFAOYSA-N -1 1 368.372 2.084 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000738258626 599016146 /nfs/dbraw/zinc/01/61/46/599016146.db2.gz JEOLORKMYAMCAG-UHFFFAOYSA-N -1 1 368.372 2.084 20 0 FEADMM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236551 599135976 /nfs/dbraw/zinc/13/59/76/599135976.db2.gz NSXJGUCMMGGPBH-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236551 599135977 /nfs/dbraw/zinc/13/59/77/599135977.db2.gz NSXJGUCMMGGPBH-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2cccs2)no1 ZINC000736159159 599142136 /nfs/dbraw/zinc/14/21/36/599142136.db2.gz VFSQJNCRXMLNOK-MRVPVSSYSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2cccs2)no1 ZINC000736159159 599142139 /nfs/dbraw/zinc/14/21/39/599142139.db2.gz VFSQJNCRXMLNOK-MRVPVSSYSA-N -1 1 369.366 2.291 20 0 FEADMM CCCOc1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736492025 599142653 /nfs/dbraw/zinc/14/26/53/599142653.db2.gz HZFGCKMOBDKFQX-UHFFFAOYSA-N -1 1 369.381 2.286 20 0 FEADMM CCCOc1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736492025 599142656 /nfs/dbraw/zinc/14/26/56/599142656.db2.gz HZFGCKMOBDKFQX-UHFFFAOYSA-N -1 1 369.381 2.286 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1Cl ZINC000736020726 599232716 /nfs/dbraw/zinc/23/27/16/599232716.db2.gz WHPVPVDDDSWATF-JTQLQIEISA-N -1 1 358.789 2.112 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1Cl ZINC000736020726 599232718 /nfs/dbraw/zinc/23/27/18/599232718.db2.gz WHPVPVDDDSWATF-JTQLQIEISA-N -1 1 358.789 2.112 20 0 FEADMM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736239069 599228774 /nfs/dbraw/zinc/22/87/74/599228774.db2.gz FYCPGTSWJHEKRB-AVVWSFFYSA-N -1 1 370.457 2.462 20 0 FEADMM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736239069 599228777 /nfs/dbraw/zinc/22/87/77/599228777.db2.gz FYCPGTSWJHEKRB-AVVWSFFYSA-N -1 1 370.457 2.462 20 0 FEADMM C[C@]1(C2CCCCC2)NC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818080404 597047289 /nfs/dbraw/zinc/04/72/89/597047289.db2.gz AINOUYXWJHHEPR-FZKQIMNGSA-N -1 1 351.447 2.021 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CN2C(=O)NC3(CCCCCCC3)C2=O)C1 ZINC000819380142 597048437 /nfs/dbraw/zinc/04/84/37/597048437.db2.gz IAONFIWBIPPJDR-AWEZNQCLSA-N -1 1 351.447 2.166 20 0 FEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676233449 597069295 /nfs/dbraw/zinc/06/92/95/597069295.db2.gz PRCMJSGKGXPZTJ-CABCVRRESA-N -1 1 373.453 2.327 20 0 FEADMM Cc1cc(CN2CCSCC2)ccc1NC(=O)CSCC(=O)[O-] ZINC000740072746 597090723 /nfs/dbraw/zinc/09/07/23/597090723.db2.gz IWFHXECAMZPWAQ-UHFFFAOYSA-N -1 1 354.497 2.300 20 0 FEADMM O=c1[n-]c(Oc2ccccc2-c2nn[nH]n2)nc2c1cnn2-c1ccccc1 ZINC000738373792 599254448 /nfs/dbraw/zinc/25/44/48/599254448.db2.gz HAFQHDOHCGQFOS-UHFFFAOYSA-N -1 1 372.348 2.494 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818512939 597315363 /nfs/dbraw/zinc/31/53/63/597315363.db2.gz WTYZEHPFIRMERK-UHFFFAOYSA-N -1 1 363.391 2.210 20 0 FEADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000263428506 597357247 /nfs/dbraw/zinc/35/72/47/597357247.db2.gz RJQITMSFNNUJBJ-ZDUSSCGKSA-N -1 1 362.451 2.486 20 0 FEADMM Cc1[nH]c(SCC(=O)N2CC[C@@H](C(=O)[O-])C2)nc1Cc1ccccc1 ZINC000818758850 597499608 /nfs/dbraw/zinc/49/96/08/597499608.db2.gz STQUIGZXJPSSDR-CQSZACIVSA-N -1 1 359.451 2.334 20 0 FEADMM C[C@H]1CCN(C(=O)C[C@H]2CCCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807706050 674424667 /nfs/dbraw/zinc/42/46/67/674424667.db2.gz FNPWXFLDSPMBCO-FMSGJZPZSA-N -1 1 350.381 2.107 20 0 FEADMM COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C(=O)[O-])c3)n2)c(OC)c1 ZINC000820805224 598142466 /nfs/dbraw/zinc/14/24/66/598142466.db2.gz OAKUQNNPYITTKQ-UHFFFAOYSA-N -1 1 368.349 2.439 20 0 FEADMM COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865572 598215954 /nfs/dbraw/zinc/21/59/54/598215954.db2.gz SFIHDGZPVAVSGU-JCGIZDLHSA-N -1 1 373.453 2.089 20 0 FEADMM CN(C[C@H]1COc2ccccc2O1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736791354 598273523 /nfs/dbraw/zinc/27/35/23/598273523.db2.gz LTOWESIWDTXPPN-JTQLQIEISA-N -1 1 358.789 2.191 20 0 FEADMM CN(C[C@H]1COc2ccccc2O1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736791354 598273525 /nfs/dbraw/zinc/27/35/25/598273525.db2.gz LTOWESIWDTXPPN-JTQLQIEISA-N -1 1 358.789 2.191 20 0 FEADMM Cc1ccn(Cc2ccc(Br)cc2F)c(=O)c1-c1nn[n-]n1 ZINC000822373795 607349445 /nfs/dbraw/zinc/34/94/45/607349445.db2.gz CJDPIZJFROTJGS-UHFFFAOYSA-N -1 1 364.178 2.287 20 0 FEADMM Clc1ccc(-c2nc(Sc3nccnc3-c3nn[n-]n3)n[nH]2)cc1 ZINC000737570649 598340814 /nfs/dbraw/zinc/34/08/14/598340814.db2.gz JOXPWHOUYVSYLK-UHFFFAOYSA-N -1 1 357.790 2.246 20 0 FEADMM Cc1ccccc1C1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC000737420505 598348127 /nfs/dbraw/zinc/34/81/27/598348127.db2.gz JNHOAXQVKKNQAI-UHFFFAOYSA-N -1 1 351.414 2.125 20 0 FEADMM Cc1ccccc1C1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC000737420505 598348129 /nfs/dbraw/zinc/34/81/29/598348129.db2.gz JNHOAXQVKKNQAI-UHFFFAOYSA-N -1 1 351.414 2.125 20 0 FEADMM Brc1cccc([C@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)c1 ZINC000735368487 598353645 /nfs/dbraw/zinc/35/36/45/598353645.db2.gz MQXSNPRFMAWZEN-GHMZBOCLSA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)c1 ZINC000735368487 598353647 /nfs/dbraw/zinc/35/36/47/598353647.db2.gz MQXSNPRFMAWZEN-GHMZBOCLSA-N -1 1 358.203 2.387 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC000737188123 598371681 /nfs/dbraw/zinc/37/16/81/598371681.db2.gz ZKCIVJCHLREGCV-UHFFFAOYSA-N -1 1 367.394 2.423 20 0 FEADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736959777 598381133 /nfs/dbraw/zinc/38/11/33/598381133.db2.gz DPEMNTLRTIPDCV-LLVKDONJSA-N -1 1 359.411 2.375 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000737778459 598430713 /nfs/dbraw/zinc/43/07/13/598430713.db2.gz ZNLHOLDPHVSHMW-UHFFFAOYSA-N -1 1 374.817 2.182 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000737021802 598451882 /nfs/dbraw/zinc/45/18/82/598451882.db2.gz CFLSYNOQLYGQSU-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM CCN1CCc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000736567810 598547868 /nfs/dbraw/zinc/54/78/68/598547868.db2.gz DRUKVOKMKVWRHH-UHFFFAOYSA-N -1 1 370.438 2.050 20 0 FEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)NCc1ccccc1 ZINC000736138676 598575613 /nfs/dbraw/zinc/57/56/13/598575613.db2.gz NPABVGUFKQSKRT-JTQLQIEISA-N -1 1 357.805 2.032 20 0 FEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)NCc1ccccc1 ZINC000736138676 598575614 /nfs/dbraw/zinc/57/56/14/598575614.db2.gz NPABVGUFKQSKRT-JTQLQIEISA-N -1 1 357.805 2.032 20 0 FEADMM Clc1ccc(N2CC[C@H](CNc3ccccn3)C2)nc1-c1nnn[n-]1 ZINC000737575534 598579145 /nfs/dbraw/zinc/57/91/45/598579145.db2.gz MCXGQUMOSPSYLM-LLVKDONJSA-N -1 1 356.821 2.249 20 0 FEADMM Clc1ccc(N2CC[C@H](CNc3ccccn3)C2)nc1-c1nn[n-]n1 ZINC000737575534 598579147 /nfs/dbraw/zinc/57/91/47/598579147.db2.gz MCXGQUMOSPSYLM-LLVKDONJSA-N -1 1 356.821 2.249 20 0 FEADMM CCc1nn(CCCOc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705148 598641246 /nfs/dbraw/zinc/64/12/46/598641246.db2.gz CUPXEVMGPJEIJT-UHFFFAOYSA-N -1 1 368.441 2.326 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737377863 598664051 /nfs/dbraw/zinc/66/40/51/598664051.db2.gz QXNBJNYPGDADHP-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735628465 598677501 /nfs/dbraw/zinc/67/75/01/598677501.db2.gz UWHZTQUGMUAPRY-SSDOTTSWSA-N -1 1 371.854 2.398 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735628465 598677504 /nfs/dbraw/zinc/67/75/04/598677504.db2.gz UWHZTQUGMUAPRY-SSDOTTSWSA-N -1 1 371.854 2.398 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736406549 598695791 /nfs/dbraw/zinc/69/57/91/598695791.db2.gz APIIFBSZAXSYFD-DGCLKSJQSA-N -1 1 370.413 2.198 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736406549 598695793 /nfs/dbraw/zinc/69/57/93/598695793.db2.gz APIIFBSZAXSYFD-DGCLKSJQSA-N -1 1 370.413 2.198 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(F)c(C)c2)cc1-c1nn[n-]n1 ZINC000737187339 598700577 /nfs/dbraw/zinc/70/05/77/598700577.db2.gz QNHYUZNGRUXOGB-UHFFFAOYSA-N -1 1 360.374 2.389 20 0 FEADMM Cc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737434378 598719170 /nfs/dbraw/zinc/71/91/70/598719170.db2.gz FKMKEJKXHGGUKI-UHFFFAOYSA-N -1 1 360.377 2.129 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)cc(C)c1F ZINC000808120394 674442344 /nfs/dbraw/zinc/44/23/44/674442344.db2.gz KIGKIHOWZWNTME-UHFFFAOYSA-N -1 1 351.399 2.461 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000808122889 674442573 /nfs/dbraw/zinc/44/25/73/674442573.db2.gz IXEUCDNJQDOBKK-LBPRGKRZSA-N -1 1 359.407 2.241 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000557581785 674455108 /nfs/dbraw/zinc/45/51/08/674455108.db2.gz WRLVRVSZVXPVSF-GFCCVEGCSA-N -1 1 361.471 2.277 20 0 FEADMM COC(=O)c1cc(F)ccc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000736951943 598779272 /nfs/dbraw/zinc/77/92/72/598779272.db2.gz WJDLLJAAUJGHKV-UHFFFAOYSA-N -1 1 362.342 2.211 20 0 FEADMM CCC(C)(CC)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736312453 598806357 /nfs/dbraw/zinc/80/63/57/598806357.db2.gz CUQQMGSIAAWOFD-UHFFFAOYSA-N -1 1 370.461 2.154 20 0 FEADMM CCC(C)(CC)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736312453 598806358 /nfs/dbraw/zinc/80/63/58/598806358.db2.gz CUQQMGSIAAWOFD-UHFFFAOYSA-N -1 1 370.461 2.154 20 0 FEADMM O=C1OC(c2ccccc2OC(F)F)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823547356 599309897 /nfs/dbraw/zinc/30/98/97/599309897.db2.gz JCNQRGOASRTUMU-JXMROGBWSA-N -1 1 373.275 2.406 20 0 FEADMM O=C1OC(c2ccccc2OC(F)F)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823547356 599309900 /nfs/dbraw/zinc/30/99/00/599309900.db2.gz JCNQRGOASRTUMU-JXMROGBWSA-N -1 1 373.275 2.406 20 0 FEADMM C[C@H]1SCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000736300900 599324389 /nfs/dbraw/zinc/32/43/89/599324389.db2.gz HIYZWEJRZHJEOK-DTWKUNHWSA-N -1 1 373.891 2.035 20 0 FEADMM C[C@H]1SCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC000736300900 599324392 /nfs/dbraw/zinc/32/43/92/599324392.db2.gz HIYZWEJRZHJEOK-DTWKUNHWSA-N -1 1 373.891 2.035 20 0 FEADMM CCCCOCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736461537 599335150 /nfs/dbraw/zinc/33/51/50/599335150.db2.gz VXOAVQQRUAVDQU-UHFFFAOYSA-N -1 1 370.413 2.221 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccsc1 ZINC000737487464 599342956 /nfs/dbraw/zinc/34/29/56/599342956.db2.gz JGGFSIADQUCAEB-UHFFFAOYSA-N -1 1 368.426 2.159 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccsc1 ZINC000737487464 599342960 /nfs/dbraw/zinc/34/29/60/599342960.db2.gz JGGFSIADQUCAEB-UHFFFAOYSA-N -1 1 368.426 2.159 20 0 FEADMM C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820813346 599351348 /nfs/dbraw/zinc/35/13/48/599351348.db2.gz DYICXCKSWYSBFV-NSHDSACASA-N -1 1 373.413 2.141 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823607393 599359590 /nfs/dbraw/zinc/35/95/90/599359590.db2.gz TVYAQBLWPVGHKL-PWSUYJOCSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823607393 599359593 /nfs/dbraw/zinc/35/95/93/599359593.db2.gz TVYAQBLWPVGHKL-PWSUYJOCSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1C2CCCC1CCC2 ZINC000823607356 599362143 /nfs/dbraw/zinc/36/21/43/599362143.db2.gz SKIMBHGYMZTFQQ-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1C2CCCC1CCC2 ZINC000823607356 599362146 /nfs/dbraw/zinc/36/21/46/599362146.db2.gz SKIMBHGYMZTFQQ-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM CC(C)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nc(-c2ccncc2)no1 ZINC000820025842 599424733 /nfs/dbraw/zinc/42/47/33/599424733.db2.gz DGGNWDMHICJPFA-AWEZNQCLSA-N -1 1 366.385 2.392 20 0 FEADMM CC(C)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nc(-c2ccncc2)no1 ZINC000820025842 599424735 /nfs/dbraw/zinc/42/47/35/599424735.db2.gz DGGNWDMHICJPFA-AWEZNQCLSA-N -1 1 366.385 2.392 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627106 599436104 /nfs/dbraw/zinc/43/61/04/599436104.db2.gz MVZULQFECLIFBK-GFCCVEGCSA-N -1 1 359.434 2.463 20 0 FEADMM CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627106 599436107 /nfs/dbraw/zinc/43/61/07/599436107.db2.gz MVZULQFECLIFBK-GFCCVEGCSA-N -1 1 359.434 2.463 20 0 FEADMM O=S(=O)([N-]CC(F)(F)Br)c1ccc(C(F)(F)F)nc1 ZINC000808573110 674463513 /nfs/dbraw/zinc/46/35/13/674463513.db2.gz NQLZHSFSTFOEIC-UHFFFAOYSA-N -1 1 369.109 2.366 20 0 FEADMM Cc1cnn([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)c1 ZINC000822403065 599540020 /nfs/dbraw/zinc/54/00/20/599540020.db2.gz JXCOWLXPFMZOOM-SECBINFHSA-N -1 1 350.839 2.323 20 0 FEADMM Cc1cnn([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)c1 ZINC000822403065 599540022 /nfs/dbraw/zinc/54/00/22/599540022.db2.gz JXCOWLXPFMZOOM-SECBINFHSA-N -1 1 350.839 2.323 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000824025263 607384016 /nfs/dbraw/zinc/38/40/16/607384016.db2.gz ZGDYBDMNBNSIDT-UHFFFAOYSA-N -1 1 366.377 2.483 20 0 FEADMM Cc1ccc(-c2nc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)co2)cc1 ZINC000822214199 599655389 /nfs/dbraw/zinc/65/53/89/599655389.db2.gz UEKFYHFSQOODQE-UHFFFAOYSA-N -1 1 361.365 2.155 20 0 FEADMM Cc1ccc(-c2nc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)co2)cc1 ZINC000822214199 599655390 /nfs/dbraw/zinc/65/53/90/599655390.db2.gz UEKFYHFSQOODQE-UHFFFAOYSA-N -1 1 361.365 2.155 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2F)o1 ZINC000740177956 599739072 /nfs/dbraw/zinc/73/90/72/599739072.db2.gz XTJHFKULJLTYNE-UHFFFAOYSA-N -1 1 368.342 2.045 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCN(C)c1ccccc1 ZINC000736215703 599763452 /nfs/dbraw/zinc/76/34/52/599763452.db2.gz RJAPZAWSLBDCTH-INIZCTEOSA-N -1 1 369.465 2.458 20 0 FEADMM Cc1cc(OCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccc1Cl ZINC000738474716 599779256 /nfs/dbraw/zinc/77/92/56/599779256.db2.gz OVNRGQJLEYGYAJ-HNNXBMFYSA-N -1 1 365.817 2.343 20 0 FEADMM O=C([O-])CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000739735236 599876013 /nfs/dbraw/zinc/87/60/13/599876013.db2.gz SFMRUSYPYYXLFE-UHFFFAOYSA-N -1 1 362.426 2.141 20 0 FEADMM CC(C)[C@H](NC(=O)CNC(C)(C)C(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000736360119 599926045 /nfs/dbraw/zinc/92/60/45/599926045.db2.gz OVZCSIABNDOVCN-KRWDZBQOSA-N -1 1 364.442 2.114 20 0 FEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000676214054 599940063 /nfs/dbraw/zinc/94/00/63/599940063.db2.gz OJZWBHLZQRTJHI-LJQANCHMSA-N -1 1 368.433 2.244 20 0 FEADMM C[C@H](CN(CC(=O)Nc1ccnn1Cc1cccs1)C1CC1)C(=O)[O-] ZINC000736578612 599950113 /nfs/dbraw/zinc/95/01/13/599950113.db2.gz NYDSOGQFFAXBTQ-GFCCVEGCSA-N -1 1 362.455 2.117 20 0 FEADMM O=C([O-])c1cccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000739248607 599960394 /nfs/dbraw/zinc/96/03/94/599960394.db2.gz KWKAZECHWGWVDT-UHFFFAOYSA-N -1 1 352.350 2.020 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000738516735 599969393 /nfs/dbraw/zinc/96/93/93/599969393.db2.gz ASKWMVNYIPMARS-CABCVRRESA-N -1 1 371.441 2.024 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c(Cl)c1 ZINC000558034807 674480600 /nfs/dbraw/zinc/48/06/00/674480600.db2.gz WPQYCIPHKYFAST-UHFFFAOYSA-N -1 1 365.802 2.125 20 0 FEADMM CC(C)CN(CCC(=O)[O-])Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000736432711 600089585 /nfs/dbraw/zinc/08/95/85/600089585.db2.gz UOWUOXWPKORTGJ-UHFFFAOYSA-N -1 1 369.425 2.454 20 0 FEADMM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736541348 600099217 /nfs/dbraw/zinc/09/92/17/600099217.db2.gz SQCZOMCUHQYSLV-NSHDSACASA-N -1 1 365.411 2.118 20 0 FEADMM CCC[C@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2)C(=O)[O-] ZINC000736962927 600151502 /nfs/dbraw/zinc/15/15/02/600151502.db2.gz GZFVANONWLPTAF-KRWDZBQOSA-N -1 1 368.455 2.195 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000809067405 674481941 /nfs/dbraw/zinc/48/19/41/674481941.db2.gz OORKCFRYIQMMOO-UHFFFAOYSA-N -1 1 356.407 2.040 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000738026616 600292904 /nfs/dbraw/zinc/29/29/04/600292904.db2.gz OHULIQBUFPQZHZ-OCCSQVGLSA-N -1 1 362.426 2.218 20 0 FEADMM COC(=O)NCc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000737637272 600301824 /nfs/dbraw/zinc/30/18/24/600301824.db2.gz GILKXHFQJNRQJL-UHFFFAOYSA-N -1 1 370.408 2.103 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CCN1CCOC ZINC000736940924 600336943 /nfs/dbraw/zinc/33/69/43/600336943.db2.gz VPOQNRUCTGFNMK-OAHLLOKOSA-N -1 1 350.419 2.351 20 0 FEADMM CN1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000737521632 600376611 /nfs/dbraw/zinc/37/66/11/600376611.db2.gz PASUNALREFNCBS-QWHCGFSZSA-N -1 1 355.232 2.175 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736812060 600387348 /nfs/dbraw/zinc/38/73/48/600387348.db2.gz SCJHHLCOWKEGBW-TXEJJXNPSA-N -1 1 353.394 2.145 20 0 FEADMM Cc1nc(C)n(C[C@@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC000738850614 600427259 /nfs/dbraw/zinc/42/72/59/600427259.db2.gz RFDZJNWPKODBGJ-OAHLLOKOSA-N -1 1 368.441 2.313 20 0 FEADMM CN(CCOc1cccc(S(C)(=O)=O)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737449572 600432906 /nfs/dbraw/zinc/43/29/06/600432906.db2.gz SLIYHDWDTYZTCG-QGZVFWFLSA-N -1 1 363.435 2.227 20 0 FEADMM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000736551824 600580959 /nfs/dbraw/zinc/58/09/59/600580959.db2.gz KUMILCYXHCGKNO-IIAWOOMASA-N -1 1 350.484 2.362 20 0 FEADMM CCN(CC)[C@H](CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000326746099 600694166 /nfs/dbraw/zinc/69/41/66/600694166.db2.gz KMDRTYBPJVZUHR-MRXNPFEDSA-N -1 1 365.455 2.074 20 0 FEADMM O=C([O-])c1sccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740288123 600694367 /nfs/dbraw/zinc/69/43/67/600694367.db2.gz AJSWTPDHIWSDOH-UHFFFAOYSA-N -1 1 368.392 2.204 20 0 FEADMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCN1C ZINC000828170163 600760154 /nfs/dbraw/zinc/76/01/54/600760154.db2.gz XMISAUKZCGWFCY-PWSUYJOCSA-N -1 1 360.863 2.141 20 0 FEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1n[nH]c(-c3ccccc3)n1)C2 ZINC000740199543 600813370 /nfs/dbraw/zinc/81/33/70/600813370.db2.gz PLOMPLLXMQHHFP-UHFFFAOYSA-N -1 1 363.377 2.395 20 0 FEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1nc(-c3ccccc3)n[nH]1)C2 ZINC000740199543 600813371 /nfs/dbraw/zinc/81/33/71/600813371.db2.gz PLOMPLLXMQHHFP-UHFFFAOYSA-N -1 1 363.377 2.395 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2C)c(C(=O)[O-])s1 ZINC000831348338 600818036 /nfs/dbraw/zinc/81/80/36/600818036.db2.gz CJZBFDDUOSMJGR-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM C[C@H](O)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000827802956 600824960 /nfs/dbraw/zinc/82/49/60/600824960.db2.gz IHPJRMATXDDPBO-ZDUSSCGKSA-N -1 1 361.467 2.007 20 0 FEADMM CNC(=O)[C@@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000830979501 600830087 /nfs/dbraw/zinc/83/00/87/600830087.db2.gz XTSIOLQAERSMLT-CQSZACIVSA-N -1 1 359.451 2.466 20 0 FEADMM Cc1nnc(SCCC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])[nH]1 ZINC000833021953 600979217 /nfs/dbraw/zinc/97/92/17/600979217.db2.gz UCEFEMBZXBQDLL-UONOGXRCSA-N -1 1 366.487 2.477 20 0 FEADMM CC(C)N(Cc1ccccc1)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000826951443 601017496 /nfs/dbraw/zinc/01/74/96/601017496.db2.gz ITJOFHISKXLCPX-INIZCTEOSA-N -1 1 350.484 2.316 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000827935998 601017871 /nfs/dbraw/zinc/01/78/71/601017871.db2.gz ZBEQGEBVGPMDBL-DOMZBBRYSA-N -1 1 354.447 2.237 20 0 FEADMM COC(=O)c1cc(NC(=O)CN2CCC[C@H]3CCC[C@H]32)cc(C(=O)[O-])c1 ZINC000831269640 601019173 /nfs/dbraw/zinc/01/91/73/601019173.db2.gz NTIPWZOHYQTUBB-MLGOLLRUSA-N -1 1 360.410 2.374 20 0 FEADMM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630222929 601083795 /nfs/dbraw/zinc/08/37/95/601083795.db2.gz GNYVIFJIDNTTGU-VQHPVUNQSA-N -1 1 354.491 2.368 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1 ZINC000630227034 601088641 /nfs/dbraw/zinc/08/86/41/601088641.db2.gz YRABEVFYFMINDA-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000630226559 601090263 /nfs/dbraw/zinc/09/02/63/601090263.db2.gz YZVVCJLNMRRDQN-LLVKDONJSA-N -1 1 355.232 2.070 20 0 FEADMM Cc1ccc(OCCCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1C ZINC000630221633 601096628 /nfs/dbraw/zinc/09/66/28/601096628.db2.gz AELXVWZTPWCQMH-QGZVFWFLSA-N -1 1 362.470 2.470 20 0 FEADMM Cc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cnn1-c1ccccc1C ZINC000630224395 601097929 /nfs/dbraw/zinc/09/79/29/601097929.db2.gz PAGHDIZTZXTMLD-OAHLLOKOSA-N -1 1 370.453 2.110 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000630225336 601099354 /nfs/dbraw/zinc/09/93/54/601099354.db2.gz UHPCOBGYWDECCS-LBPRGKRZSA-N -1 1 358.360 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-c3ccccc3)n2C)CC1 ZINC000827374356 601099613 /nfs/dbraw/zinc/09/96/13/601099613.db2.gz GZPONDLDQWVKKQ-HNNXBMFYSA-N -1 1 355.438 2.313 20 0 FEADMM Cc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1C(=O)[O-] ZINC000832942484 601110241 /nfs/dbraw/zinc/11/02/41/601110241.db2.gz CKZWSGPHLGFABO-UHFFFAOYSA-N -1 1 368.437 2.239 20 0 FEADMM Cc1nc(-c2ccccc2NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)no1 ZINC000832992597 601130204 /nfs/dbraw/zinc/13/02/04/601130204.db2.gz NUMMWYKDPQDHOB-GFCCVEGCSA-N -1 1 373.413 2.058 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1Cl ZINC000833318706 601131140 /nfs/dbraw/zinc/13/11/40/601131140.db2.gz CFDKVTQEMXOCNV-GFCCVEGCSA-N -1 1 367.833 2.224 20 0 FEADMM Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1C(=O)[O-] ZINC000832945591 601141592 /nfs/dbraw/zinc/14/15/92/601141592.db2.gz WIGLWTMCXWSORC-QGZVFWFLSA-N -1 1 362.474 2.087 20 0 FEADMM COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000831058722 601205479 /nfs/dbraw/zinc/20/54/79/601205479.db2.gz ADDRYMQJVZKWBH-FZKQIMNGSA-N -1 1 370.405 2.463 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000828265876 601219112 /nfs/dbraw/zinc/21/91/12/601219112.db2.gz LMXSWFISUXFUNV-FZXWVIKQSA-N -1 1 366.483 2.183 20 0 FEADMM CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000828878583 601259017 /nfs/dbraw/zinc/25/90/17/601259017.db2.gz AKIMXOUHCOHRDW-LBPRGKRZSA-N -1 1 360.863 2.191 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)n[nH]2)cc1OC ZINC000262698070 601282622 /nfs/dbraw/zinc/28/26/22/601282622.db2.gz YCBPGNJEBFYMKA-GFCCVEGCSA-N -1 1 359.382 2.031 20 0 FEADMM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000828794072 601307148 /nfs/dbraw/zinc/30/71/48/601307148.db2.gz QRJKSSBJGGNOHE-UHFFFAOYSA-N -1 1 361.486 2.197 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1Cl ZINC000833320022 601312402 /nfs/dbraw/zinc/31/24/02/601312402.db2.gz RUEQSEOLBMRQLX-UHFFFAOYSA-N -1 1 367.833 2.367 20 0 FEADMM CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000825917296 601382441 /nfs/dbraw/zinc/38/24/41/601382441.db2.gz HZATYXKLBBUQBJ-UHFFFAOYSA-N -1 1 369.786 2.192 20 0 FEADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cccc(Br)c1O ZINC000833232992 601441014 /nfs/dbraw/zinc/44/10/14/601441014.db2.gz VEVBFADABMHZHK-SNVBAGLBSA-N -1 1 372.215 2.251 20 0 FEADMM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccncc1)N(C)Cc1ccccc1 ZINC000825978153 601508805 /nfs/dbraw/zinc/50/88/05/601508805.db2.gz YUJSNUKHGNGZEI-INIZCTEOSA-N -1 1 355.438 2.405 20 0 FEADMM C[C@@H](C(=O)[O-])[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000826054895 601652444 /nfs/dbraw/zinc/65/24/44/601652444.db2.gz RZBSNQHLWOACMC-PXAZEXFGSA-N -1 1 373.434 2.060 20 0 FEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000565106017 601821405 /nfs/dbraw/zinc/82/14/05/601821405.db2.gz WTUVJZVXARDAJF-SNVBAGLBSA-N -1 1 354.453 2.287 20 0 FEADMM O=C([O-])c1sccc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000833348127 601824779 /nfs/dbraw/zinc/82/47/79/601824779.db2.gz AQTGNFBCQZIQQC-UHFFFAOYSA-N -1 1 362.455 2.415 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000324263028 601840896 /nfs/dbraw/zinc/84/08/96/601840896.db2.gz HZXZFCGLEFTNRA-UHFFFAOYSA-N -1 1 354.472 2.014 20 0 FEADMM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000828422701 601842426 /nfs/dbraw/zinc/84/24/26/601842426.db2.gz IUOUJFVIKNEWIO-HZMBPMFUSA-N -1 1 360.863 2.045 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000831434870 601854721 /nfs/dbraw/zinc/85/47/21/601854721.db2.gz HZVWTDDYOJTOOZ-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CN(C)[C@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739601236 601877052 /nfs/dbraw/zinc/87/70/52/601877052.db2.gz DEHMUGAXOTTWSM-AVVWSFFYSA-N -1 1 351.422 2.371 20 0 FEADMM O=C([O-])c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1F ZINC000833100661 601877765 /nfs/dbraw/zinc/87/77/65/601877765.db2.gz YHZGUPGGAHKYQS-UHFFFAOYSA-N -1 1 372.400 2.070 20 0 FEADMM Cc1csc(=O)n1CCN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832988594 601902062 /nfs/dbraw/zinc/90/20/62/601902062.db2.gz BMBMPONMEIPPLT-ZDUSSCGKSA-N -1 1 360.357 2.393 20 0 FEADMM Nc1nc(CSCc2ccnc(-c3nnn[n-]3)c2)nc2ccccc12 ZINC000826396264 607532959 /nfs/dbraw/zinc/53/29/59/607532959.db2.gz OVOABGBVWJICIA-UHFFFAOYSA-N -1 1 350.411 2.221 20 0 FEADMM Nc1nc(CSCc2ccnc(-c3nn[n-]n3)c2)nc2ccccc12 ZINC000826396264 607532961 /nfs/dbraw/zinc/53/29/61/607532961.db2.gz OVOABGBVWJICIA-UHFFFAOYSA-N -1 1 350.411 2.221 20 0 FEADMM CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000828587144 601924539 /nfs/dbraw/zinc/92/45/39/601924539.db2.gz NPCUZUAVCPTELL-UKRRQHHQSA-N -1 1 352.456 2.304 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000630226931 602024483 /nfs/dbraw/zinc/02/44/83/602024483.db2.gz XSIIQYXAPYTIDQ-LLVKDONJSA-N -1 1 360.332 2.206 20 0 FEADMM Cc1ccc(Br)c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832909786 602025117 /nfs/dbraw/zinc/02/51/17/602025117.db2.gz QBONZKNZNRIZNZ-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3cccc4c[nH]nc43)nc2)CC1 ZINC000740461105 602121306 /nfs/dbraw/zinc/12/13/06/602121306.db2.gz DIFDANRYWXRVJE-UHFFFAOYSA-N -1 1 366.381 2.010 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)N2CCCC2)o1 ZINC000740116760 602186164 /nfs/dbraw/zinc/18/61/64/602186164.db2.gz GAHMOIDFGDMPJV-CABCVRRESA-N -1 1 364.446 2.024 20 0 FEADMM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2O)cc1 ZINC000833240636 602201807 /nfs/dbraw/zinc/20/18/07/602201807.db2.gz WNZGDZQCZLMJEI-UHFFFAOYSA-N -1 1 355.343 2.186 20 0 FEADMM Cc1noc(COc2ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826340126 607552090 /nfs/dbraw/zinc/55/20/90/607552090.db2.gz IOHHVZHGYOMPDR-UHFFFAOYSA-N -1 1 364.369 2.144 20 0 FEADMM Cc1noc(COc2ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826340126 607552092 /nfs/dbraw/zinc/55/20/92/607552092.db2.gz IOHHVZHGYOMPDR-UHFFFAOYSA-N -1 1 364.369 2.144 20 0 FEADMM CC1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000828284024 602297303 /nfs/dbraw/zinc/29/73/03/602297303.db2.gz AOJKMZVTTSQWFC-OAHLLOKOSA-N -1 1 369.259 2.423 20 0 FEADMM O=C([O-])N1CCC(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000740501391 602312217 /nfs/dbraw/zinc/31/22/17/602312217.db2.gz UIGMQKBLQCIFDO-UHFFFAOYSA-N -1 1 367.396 2.113 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCN1CCOC ZINC000829141477 602369873 /nfs/dbraw/zinc/36/98/73/602369873.db2.gz MCRCKHYQQSRLLP-CYBMUJFWSA-N -1 1 353.394 2.098 20 0 FEADMM C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738613942 602383589 /nfs/dbraw/zinc/38/35/89/602383589.db2.gz BKPCGNYBYHUCHJ-CYBMUJFWSA-N -1 1 365.499 2.343 20 0 FEADMM C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738620515 602407564 /nfs/dbraw/zinc/40/75/64/602407564.db2.gz VJMSSRHNNLLHKY-ZDUSSCGKSA-N -1 1 362.430 2.045 20 0 FEADMM O=C([O-])NCCCNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000740653627 602415769 /nfs/dbraw/zinc/41/57/69/602415769.db2.gz RNJADHFCASLPNR-OAHLLOKOSA-N -1 1 368.865 2.434 20 0 FEADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738615759 602437734 /nfs/dbraw/zinc/43/77/34/602437734.db2.gz PDMIASZCYDKMNX-JKSUJKDBSA-N -1 1 359.470 2.282 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000739016677 602463881 /nfs/dbraw/zinc/46/38/81/602463881.db2.gz QYTMWSXYGPOPFS-STQMWFEESA-N -1 1 353.488 2.163 20 0 FEADMM O=C(NCCS(=O)(=O)Cc1ccccc1)c1c(F)ccc([O-])c1F ZINC000809627384 674501826 /nfs/dbraw/zinc/50/18/26/674501826.db2.gz ZYIAEYZXODAWLZ-UHFFFAOYSA-N -1 1 355.362 2.015 20 0 FEADMM CN(C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)C1)C(=O)[O-] ZINC000739660719 602541485 /nfs/dbraw/zinc/54/14/85/602541485.db2.gz PNKDUFHOSXONHT-CRAIPNDOSA-N -1 1 359.470 2.454 20 0 FEADMM CCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352142 602542966 /nfs/dbraw/zinc/54/29/66/602542966.db2.gz UMSGWBWLCRLKME-OLZOCXBDSA-N -1 1 365.396 2.252 20 0 FEADMM CCCN(Cc1cc(=O)n2c(C)csc2n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360026 602547598 /nfs/dbraw/zinc/54/75/98/602547598.db2.gz RXBSMNWKMBVNIT-CYBMUJFWSA-N -1 1 350.444 2.029 20 0 FEADMM COCCN1CC[C@H](NC(=O)c2cc3ccccc3cc2NC(=O)[O-])C1 ZINC000739833023 602575395 /nfs/dbraw/zinc/57/53/95/602575395.db2.gz JBDJTCXEGQCFCN-HNNXBMFYSA-N -1 1 357.410 2.380 20 0 FEADMM CCCN(CC(=O)N(C)Cc1cccc(OC)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353083 602579125 /nfs/dbraw/zinc/57/91/25/602579125.db2.gz YJZCLCMCKZKAAZ-INIZCTEOSA-N -1 1 363.458 2.118 20 0 FEADMM Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826307422 607579346 /nfs/dbraw/zinc/57/93/46/607579346.db2.gz HQWVTLBYGPMPKU-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826307422 607579348 /nfs/dbraw/zinc/57/93/48/607579348.db2.gz HQWVTLBYGPMPKU-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739106015 602697486 /nfs/dbraw/zinc/69/74/86/602697486.db2.gz PMXHOGSQVVAIGK-HNNXBMFYSA-N -1 1 362.474 2.407 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1cccc(F)c1 ZINC000739609268 602706206 /nfs/dbraw/zinc/70/62/06/602706206.db2.gz UPEGQGXDRNALFX-ZDUSSCGKSA-N -1 1 366.418 2.083 20 0 FEADMM C[C@@H]1CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@@H]1NC(=O)[O-] ZINC000739170559 602761536 /nfs/dbraw/zinc/76/15/36/602761536.db2.gz GQCTZYLWBZTNEP-CJNGLKHVSA-N -1 1 370.453 2.031 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739957460 602763443 /nfs/dbraw/zinc/76/34/43/602763443.db2.gz IAUWCWOBGXCDSQ-RZLSGREXSA-N -1 1 363.458 2.239 20 0 FEADMM C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171510 602774570 /nfs/dbraw/zinc/77/45/70/602774570.db2.gz CDAGENLVMKOARB-JKIFEVAISA-N -1 1 372.469 2.193 20 0 FEADMM C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178478 602788536 /nfs/dbraw/zinc/78/85/36/602788536.db2.gz QUGAZCGYJLEZST-DFAQERLJSA-N -1 1 363.502 2.438 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@H](CNC(=O)[O-])C2)ccc1F ZINC000739610252 602841245 /nfs/dbraw/zinc/84/12/45/602841245.db2.gz OSTBXHYTEHUOJQ-CQSZACIVSA-N -1 1 366.437 2.077 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826288865 607592984 /nfs/dbraw/zinc/59/29/84/607592984.db2.gz ZPFBUIHOMCBRSF-UHFFFAOYSA-N -1 1 361.402 2.101 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826288865 607592986 /nfs/dbraw/zinc/59/29/86/607592986.db2.gz ZPFBUIHOMCBRSF-UHFFFAOYSA-N -1 1 361.402 2.101 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)c3cccc4c3OCO4)CCCCC2)no1 ZINC000558681627 674510326 /nfs/dbraw/zinc/51/03/26/674510326.db2.gz GEAWCFDVKJPUDM-UHFFFAOYSA-N -1 1 365.411 2.245 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000558684497 674510596 /nfs/dbraw/zinc/51/05/96/674510596.db2.gz IKMUOFMPQPMJQY-UHFFFAOYSA-N -1 1 357.325 2.479 20 0 FEADMM Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826294254 607596050 /nfs/dbraw/zinc/59/60/50/607596050.db2.gz MSTBEEXDCQBCRJ-CQSZACIVSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826294254 607596052 /nfs/dbraw/zinc/59/60/52/607596052.db2.gz MSTBEEXDCQBCRJ-CQSZACIVSA-N -1 1 373.413 2.280 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739137002 602959897 /nfs/dbraw/zinc/95/98/97/602959897.db2.gz PEPYAXMKWVIMGX-IOASZLSFSA-N -1 1 366.437 2.211 20 0 FEADMM CN(CCCNC(=O)[O-])CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000739681165 603251653 /nfs/dbraw/zinc/25/16/53/603251653.db2.gz DPFCQKITEBQALU-UHFFFAOYSA-N -1 1 373.335 2.110 20 0 FEADMM CC(C)Oc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000824332908 607617994 /nfs/dbraw/zinc/61/79/94/607617994.db2.gz AKHQNXHCBNDTLD-UHFFFAOYSA-N -1 1 360.395 2.422 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N(C)CCCNC(=O)[O-])N2CCCC2)o1 ZINC000740119131 603283412 /nfs/dbraw/zinc/28/34/12/603283412.db2.gz UMADBOHKDJUIMZ-AWEZNQCLSA-N -1 1 352.435 2.024 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N(C)CCCNC(=O)[O-])N2CCCC2)o1 ZINC000740119137 603283614 /nfs/dbraw/zinc/28/36/14/603283614.db2.gz UMADBOHKDJUIMZ-CQSZACIVSA-N -1 1 352.435 2.024 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)C[C@@H](C)NC(=O)[O-])N1CCCCC1 ZINC000829593422 603369322 /nfs/dbraw/zinc/36/93/22/603369322.db2.gz ZSLXSCJITMFQTK-ZBFHGGJFSA-N -1 1 363.458 2.385 20 0 FEADMM O=C([O-])NC1(CNC(=O)CSc2n[nH]c(=S)s2)CCCCC1 ZINC000832218944 603442931 /nfs/dbraw/zinc/44/29/31/603442931.db2.gz CDEKJUFCCKWFAI-UHFFFAOYSA-N -1 1 362.502 2.006 20 0 FEADMM C[C@@H]1CN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cn2)C[C@H](C)O1 ZINC000826083188 603537971 /nfs/dbraw/zinc/53/79/71/603537971.db2.gz ZFOIJJVMURGNJI-OKILXGFUSA-N -1 1 371.441 2.470 20 0 FEADMM O=C([O-])N[C@@H](CNC(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000832135658 603556802 /nfs/dbraw/zinc/55/68/02/603556802.db2.gz NRFYYIHFASGGIP-INIZCTEOSA-N -1 1 366.381 2.398 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)N2CCCC2)o1 ZINC000830262169 603742365 /nfs/dbraw/zinc/74/23/65/603742365.db2.gz JDZPENRRRQTSMG-UKRRQHHQSA-N -1 1 364.446 2.119 20 0 FEADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1)C(=O)[O-] ZINC000828245141 603751382 /nfs/dbraw/zinc/75/13/82/603751382.db2.gz DHFKTKUPCZWISH-QZTJIDSGSA-N -1 1 359.470 2.499 20 0 FEADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)O1 ZINC000826661848 603802384 /nfs/dbraw/zinc/80/23/84/603802384.db2.gz UDIOWMTZMPSZAP-QWHCGFSZSA-N -1 1 359.386 2.135 20 0 FEADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)O1 ZINC000826661848 603802386 /nfs/dbraw/zinc/80/23/86/603802386.db2.gz UDIOWMTZMPSZAP-QWHCGFSZSA-N -1 1 359.386 2.135 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCc3ccoc3)cc2)n1 ZINC000832729268 603898803 /nfs/dbraw/zinc/89/88/03/603898803.db2.gz DQJOWASTGQABBA-UHFFFAOYSA-N -1 1 355.354 2.404 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCc3ccoc3)cc2)n[nH]1 ZINC000832729268 603898808 /nfs/dbraw/zinc/89/88/08/603898808.db2.gz DQJOWASTGQABBA-UHFFFAOYSA-N -1 1 355.354 2.404 20 0 FEADMM CCN(CC1CCN(C(=O)NCCCc2cn[nH]c2C)CC1)C(=O)[O-] ZINC000827070993 603923018 /nfs/dbraw/zinc/92/30/18/603923018.db2.gz VMUKTCXTZHDHRA-UHFFFAOYSA-N -1 1 351.451 2.072 20 0 FEADMM CN(C[C@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1)C(=O)[O-] ZINC000828260322 603964622 /nfs/dbraw/zinc/96/46/22/603964622.db2.gz RRVLDMFPHKEQLA-IUODEOHRSA-N -1 1 351.834 2.377 20 0 FEADMM CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CCN(C(=O)[O-])CC1 ZINC000828114371 603981399 /nfs/dbraw/zinc/98/13/99/603981399.db2.gz GKHNHZQXJGFJMQ-UHFFFAOYSA-N -1 1 371.340 2.021 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC(C)(C)NC(=O)[O-])c1ccc(Cl)cc1 ZINC000827996178 604045133 /nfs/dbraw/zinc/04/51/33/604045133.db2.gz VOVOTTOFTJRSKC-ZDUSSCGKSA-N -1 1 356.854 2.288 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000832572586 604079676 /nfs/dbraw/zinc/07/96/76/604079676.db2.gz FEEUEVKURQEGNS-INIZCTEOSA-N -1 1 357.410 2.442 20 0 FEADMM C[C@H](C(=O)NC1CCC(C)CC1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825879617 604104584 /nfs/dbraw/zinc/10/45/84/604104584.db2.gz BSJOFVGECZPSIV-HWOWSKLDSA-N -1 1 369.506 2.209 20 0 FEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1C[C@@H]2CCC[C@H]21 ZINC000826494718 607673940 /nfs/dbraw/zinc/67/39/40/607673940.db2.gz MQHBMCRUPSOCPU-GZMMTYOYSA-N -1 1 373.360 2.059 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)C2CC2)o1 ZINC000830301819 604254430 /nfs/dbraw/zinc/25/44/30/604254430.db2.gz BCKNFIHJLPUTTE-CABCVRRESA-N -1 1 363.458 2.447 20 0 FEADMM CCc1nc([C@H]2CN(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830304537 604326931 /nfs/dbraw/zinc/32/69/31/604326931.db2.gz PKXIBRSPWOUDEO-CYBMUJFWSA-N -1 1 374.401 2.087 20 0 FEADMM CCC[C@@](C)(NCC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)C(=O)[O-] ZINC000829193731 604673339 /nfs/dbraw/zinc/67/33/39/604673339.db2.gz GXCJSKTXVBRRAL-GOSISDBHSA-N -1 1 359.430 2.260 20 0 FEADMM Nn1c(SCCC(=O)[O-])nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000819135109 604756128 /nfs/dbraw/zinc/75/61/28/604756128.db2.gz DJKJLMMESLRJMY-UHFFFAOYSA-N -1 1 364.818 2.269 20 0 FEADMM Cc1nc(C(C)C)sc1[C@H](C)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830709970 604771082 /nfs/dbraw/zinc/77/10/82/604771082.db2.gz XTGDSSZVJWLFEE-NSHDSACASA-N -1 1 354.476 2.048 20 0 FEADMM CC[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccccc1OC(F)F ZINC000826621049 604772642 /nfs/dbraw/zinc/77/26/42/604772642.db2.gz XQGPMMSKCIAVKO-ZDUSSCGKSA-N -1 1 371.384 2.151 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@H](N(C)C(=O)[O-])C3)n[nH]2)c1 ZINC000829532177 604808501 /nfs/dbraw/zinc/80/85/01/604808501.db2.gz XBRHUYCUMQOEKH-ZDUSSCGKSA-N -1 1 358.398 2.300 20 0 FEADMM Cc1cccc(S(=O)(=O)N(CC(C)C)C2CCN(C)CC2)c1C(=O)[O-] ZINC000833753055 605020861 /nfs/dbraw/zinc/02/08/61/605020861.db2.gz BNRKNRPHRGNOHB-UHFFFAOYSA-N -1 1 368.499 2.434 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000833625586 605045436 /nfs/dbraw/zinc/04/54/36/605045436.db2.gz NNKPLPFSVXKASW-AWEZNQCLSA-N -1 1 363.433 2.048 20 0 FEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596777 605047248 /nfs/dbraw/zinc/04/72/48/605047248.db2.gz GDPSLNPLQQKASA-GDBMZVCRSA-N -1 1 374.462 2.326 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc(-c2ccccc2)no1 ZINC000833624285 605053302 /nfs/dbraw/zinc/05/33/02/605053302.db2.gz JVJOFSXGDDKRIM-CQSZACIVSA-N -1 1 372.425 2.032 20 0 FEADMM CC(C)Cn1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c2ccccc21 ZINC000833494346 605075948 /nfs/dbraw/zinc/07/59/48/605075948.db2.gz OXBGGMZPWZTPFA-INIZCTEOSA-N -1 1 354.410 2.446 20 0 FEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1OC(C)C ZINC000833727069 605107086 /nfs/dbraw/zinc/10/70/86/605107086.db2.gz OCGAXCLUMALPJR-CQSZACIVSA-N -1 1 364.442 2.103 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000833623708 605109603 /nfs/dbraw/zinc/10/96/03/605109603.db2.gz FTYXGLAMWSWAAB-CQSZACIVSA-N -1 1 359.401 2.237 20 0 FEADMM C[C@@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)[C@H](C)CN1Cc1ccccc1 ZINC000833623542 605173564 /nfs/dbraw/zinc/17/35/64/605173564.db2.gz QUYDAEZMQBZZNS-HZPDHXFCSA-N -1 1 374.485 2.433 20 0 FEADMM NC(=O)[C@H]1CCCN1Cc1cccc(NCCC2CCN(C(=O)[O-])CC2)c1 ZINC000831178429 605247101 /nfs/dbraw/zinc/24/71/01/605247101.db2.gz HZWLJUXCZNHHLV-GOSISDBHSA-N -1 1 374.485 2.328 20 0 FEADMM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(C(=O)[O-])no1 ZINC000833745637 605265705 /nfs/dbraw/zinc/26/57/05/605265705.db2.gz QRAGXDHWKJXGSS-UHFFFAOYSA-N -1 1 361.423 2.482 20 0 FEADMM CC(C)(C)C[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC000578885707 605298491 /nfs/dbraw/zinc/29/84/91/605298491.db2.gz IYEZYOOFXUIMNN-SSDOTTSWSA-N -1 1 360.379 2.487 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)n[nH]1 ZINC000830030568 605301638 /nfs/dbraw/zinc/30/16/38/605301638.db2.gz OXRAAXRERGBHOA-MLGOLLRUSA-N -1 1 363.462 2.213 20 0 FEADMM O=C([O-])N1CC[C@@H](C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834070511 605374943 /nfs/dbraw/zinc/37/49/43/605374943.db2.gz AVWGCNAXJBOHNL-LSDHHAIUSA-N -1 1 369.425 2.178 20 0 FEADMM C[C@@H](CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)NC(=O)[O-] ZINC000833800671 605375386 /nfs/dbraw/zinc/37/53/86/605375386.db2.gz PUADFQDHMGBWRN-JSGCOSHPSA-N -1 1 357.414 2.224 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C)c1ccco1 ZINC000827035092 605385780 /nfs/dbraw/zinc/38/57/80/605385780.db2.gz JDYWMTDZSRQRCK-RRFJBIMHSA-N -1 1 366.462 2.493 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CCCS(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000834178284 605452278 /nfs/dbraw/zinc/45/22/78/605452278.db2.gz DXMJLQMEFCDWRB-HYVNUMGLSA-N -1 1 366.483 2.219 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000825815323 605497084 /nfs/dbraw/zinc/49/70/84/605497084.db2.gz BUKWQBBSAUQVCU-RBSFLKMASA-N -1 1 364.446 2.247 20 0 FEADMM O=C([O-])Nc1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cn1 ZINC000834258902 605530253 /nfs/dbraw/zinc/53/02/53/605530253.db2.gz NCTJIMVCZXUUIA-UHFFFAOYSA-N -1 1 360.336 2.062 20 0 FEADMM O=C(C[C@H]1CSCCN1C(=O)[O-])NC[C@H](c1ccco1)N1CCCC1 ZINC000831407375 605578672 /nfs/dbraw/zinc/57/86/72/605578672.db2.gz FQSHKFKUUDDJFT-UONOGXRCSA-N -1 1 367.471 2.018 20 0 FEADMM NC(=O)[C@H]1CCCN1Cc1cccc(NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000833982692 605597871 /nfs/dbraw/zinc/59/78/71/605597871.db2.gz WWHSSIOJOJLIEA-HQSKLWIPSA-N -1 1 372.469 2.222 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000833834960 605683807 /nfs/dbraw/zinc/68/38/07/605683807.db2.gz SKHOKLHYEFZVEN-ZJUUUORDSA-N -1 1 358.341 2.495 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826472789 607771735 /nfs/dbraw/zinc/77/17/35/607771735.db2.gz XCNGGYBZTHIRJC-GFCCVEGCSA-N -1 1 370.800 2.209 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826472789 607771736 /nfs/dbraw/zinc/77/17/36/607771736.db2.gz XCNGGYBZTHIRJC-GFCCVEGCSA-N -1 1 370.800 2.209 20 0 FEADMM CC(C)CCc1nc(CONC(=N)[C@@H]2COCCN2C(=O)[O-])cs1 ZINC000833794119 605730637 /nfs/dbraw/zinc/73/06/37/605730637.db2.gz KBAUMPPTIWTCRC-LBPRGKRZSA-N -1 1 356.448 2.109 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cccc(O)c3)cc2)n1 ZINC000834246466 605841253 /nfs/dbraw/zinc/84/12/53/605841253.db2.gz DFSMLLLHRFAKOI-UHFFFAOYSA-N -1 1 353.338 2.197 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cccc(O)c3)cc2)n[nH]1 ZINC000834246466 605841256 /nfs/dbraw/zinc/84/12/56/605841256.db2.gz DFSMLLLHRFAKOI-UHFFFAOYSA-N -1 1 353.338 2.197 20 0 FEADMM O=C([O-])N[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000834145321 605933300 /nfs/dbraw/zinc/93/33/00/605933300.db2.gz NZDSSWOKESVYSW-LSDHHAIUSA-N -1 1 364.446 2.152 20 0 FEADMM C[C@@H](C[C@@H]1CCCCCN1C(=O)[O-])NCc1nnnn1-c1ccccc1 ZINC000833803136 605942009 /nfs/dbraw/zinc/94/20/09/605942009.db2.gz HQVMNSRYMUIPPV-HOCLYGCPSA-N -1 1 358.446 2.453 20 0 FEADMM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170785 605997178 /nfs/dbraw/zinc/99/71/78/605997178.db2.gz QMMUDNUYXJVPKE-DZGCQCFKSA-N -1 1 361.442 2.018 20 0 FEADMM CCC(CC)(CNC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833841450 606093166 /nfs/dbraw/zinc/09/31/66/606093166.db2.gz JTBIGYXKGXLMSG-ZDUSSCGKSA-N -1 1 363.462 2.462 20 0 FEADMM C[C@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2)N1CCCCCC1 ZINC000833788955 606106100 /nfs/dbraw/zinc/10/61/00/606106100.db2.gz FCRXNNLGBDUSHS-HIFRSBDPSA-N -1 1 360.458 2.410 20 0 FEADMM Cc1ccccc1[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822350761 606164638 /nfs/dbraw/zinc/16/46/38/606164638.db2.gz GQEMJBMVWWWFNY-CQSZACIVSA-N -1 1 352.402 2.278 20 0 FEADMM Cc1ccccc1[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822350761 606164639 /nfs/dbraw/zinc/16/46/39/606164639.db2.gz GQEMJBMVWWWFNY-CQSZACIVSA-N -1 1 352.402 2.278 20 0 FEADMM COc1ccccc1C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000821890893 606183481 /nfs/dbraw/zinc/18/34/81/606183481.db2.gz QUHPSTYBGCFGLC-MRXNPFEDSA-N -1 1 366.425 2.267 20 0 FEADMM COc1ccccc1C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000821890893 606183483 /nfs/dbraw/zinc/18/34/83/606183483.db2.gz QUHPSTYBGCFGLC-MRXNPFEDSA-N -1 1 366.425 2.267 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(=O)c1ccccc1 ZINC000820225145 606293957 /nfs/dbraw/zinc/29/39/57/606293957.db2.gz BUOHSNAYJFUCJF-NSHDSACASA-N -1 1 351.366 2.420 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821970368 606299587 /nfs/dbraw/zinc/29/95/87/606299587.db2.gz MXCYIDZNILFVEO-GDGBQDQQSA-N -1 1 362.459 2.244 20 0 FEADMM O=C1Nc2ccccc2[C@H]1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823546749 606442369 /nfs/dbraw/zinc/44/23/69/606442369.db2.gz FLWUQPJUAVXFIT-SNVBAGLBSA-N -1 1 355.789 2.453 20 0 FEADMM O=C1Nc2ccccc2[C@H]1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823546749 606442371 /nfs/dbraw/zinc/44/23/71/606442371.db2.gz FLWUQPJUAVXFIT-SNVBAGLBSA-N -1 1 355.789 2.453 20 0 FEADMM O=C(Nc1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323150 606496112 /nfs/dbraw/zinc/49/61/12/606496112.db2.gz DIKRJTWYPJBBQG-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM O=C(Nc1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323150 606496114 /nfs/dbraw/zinc/49/61/14/606496114.db2.gz DIKRJTWYPJBBQG-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM Cc1nc2ccccc2n1CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822462673 606526296 /nfs/dbraw/zinc/52/62/96/606526296.db2.gz LKEVYBVBDAWVAQ-UHFFFAOYSA-N -1 1 367.438 2.406 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820390196 606526828 /nfs/dbraw/zinc/52/68/28/606526828.db2.gz FYNLMMZJBDLNOD-ZETCQYMHSA-N -1 1 355.383 2.001 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820390196 606526831 /nfs/dbraw/zinc/52/68/31/606526831.db2.gz FYNLMMZJBDLNOD-ZETCQYMHSA-N -1 1 355.383 2.001 20 0 FEADMM CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821634952 606529542 /nfs/dbraw/zinc/52/95/42/606529542.db2.gz CMFDDCMAHDCJMS-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821634952 606529544 /nfs/dbraw/zinc/52/95/44/606529544.db2.gz CMFDDCMAHDCJMS-UHFFFAOYSA-N -1 1 362.802 2.194 20 0 FEADMM CO[C@@H](C)c1nc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821675898 606555693 /nfs/dbraw/zinc/55/56/93/606555693.db2.gz WDQCYVAUDKHPEA-ZETCQYMHSA-N -1 1 350.429 2.022 20 0 FEADMM CO[C@@H](C)c1nc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821675898 606555695 /nfs/dbraw/zinc/55/56/95/606555695.db2.gz WDQCYVAUDKHPEA-ZETCQYMHSA-N -1 1 350.429 2.022 20 0 FEADMM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000821673582 606600381 /nfs/dbraw/zinc/60/03/81/606600381.db2.gz GAKPDPJACDHMFV-QMMMGPOBSA-N -1 1 360.399 2.297 20 0 FEADMM CO[C@@H](C)c1nc(C)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000821675778 606647289 /nfs/dbraw/zinc/64/72/89/606647289.db2.gz SYTVMDUXCYFAKD-VIFPVBQESA-N -1 1 360.399 2.091 20 0 FEADMM CO[C@@H](C)c1nc(C)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000821675778 606647290 /nfs/dbraw/zinc/64/72/90/606647290.db2.gz SYTVMDUXCYFAKD-VIFPVBQESA-N -1 1 360.399 2.091 20 0 FEADMM O=C(CCCOc1ccc(F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822959095 606649222 /nfs/dbraw/zinc/64/92/22/606649222.db2.gz REDDCVOQGQCDSJ-UHFFFAOYSA-N -1 1 357.345 2.303 20 0 FEADMM O=C(CCCOc1ccc(F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822959095 606649223 /nfs/dbraw/zinc/64/92/23/606649223.db2.gz REDDCVOQGQCDSJ-UHFFFAOYSA-N -1 1 357.345 2.303 20 0 FEADMM Cc1cc(C)c(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194036 606653445 /nfs/dbraw/zinc/65/34/45/606653445.db2.gz GLWNJXHKPHHDFJ-UHFFFAOYSA-N -1 1 353.382 2.309 20 0 FEADMM Cc1cc(C)c(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194036 606653446 /nfs/dbraw/zinc/65/34/46/606653446.db2.gz GLWNJXHKPHHDFJ-UHFFFAOYSA-N -1 1 353.382 2.309 20 0 FEADMM CCOc1cccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000821426304 606721067 /nfs/dbraw/zinc/72/10/67/606721067.db2.gz BYRMWBMHVIJCTK-UHFFFAOYSA-N -1 1 362.397 2.258 20 0 FEADMM CCOc1cccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000821426304 606721068 /nfs/dbraw/zinc/72/10/68/606721068.db2.gz BYRMWBMHVIJCTK-UHFFFAOYSA-N -1 1 362.397 2.258 20 0 FEADMM O=C(CCc1nnc(C2CCCC2)o1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822987164 606769271 /nfs/dbraw/zinc/76/92/71/606769271.db2.gz RSARFBROEPZPGH-UHFFFAOYSA-N -1 1 369.385 2.184 20 0 FEADMM CCC1(C)CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820950062 606843377 /nfs/dbraw/zinc/84/33/77/606843377.db2.gz IZJSTJRTIDSWHP-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC2(C1)CCCCC2 ZINC000823606531 606845817 /nfs/dbraw/zinc/84/58/17/606845817.db2.gz KBEFWQGJXBJTDW-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820819054 606975884 /nfs/dbraw/zinc/97/58/84/606975884.db2.gz DNEBFEZMBKLBCZ-SECBINFHSA-N -1 1 356.336 2.299 20 0 FEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820819054 606975886 /nfs/dbraw/zinc/97/58/86/606975886.db2.gz DNEBFEZMBKLBCZ-SECBINFHSA-N -1 1 356.336 2.299 20 0 FEADMM CC(C)C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820067828 607048544 /nfs/dbraw/zinc/04/85/44/607048544.db2.gz MDWWSRUSBBWKRT-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C[C@@H]2CC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548288 607090804 /nfs/dbraw/zinc/09/08/04/607090804.db2.gz HGTIVIYKHLMZEQ-BXKDBHETSA-N -1 1 361.402 2.385 20 0 FEADMM CC1(C2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)OCCO1 ZINC000820612792 607174266 /nfs/dbraw/zinc/17/42/66/607174266.db2.gz JHMBCBIRQNRMPG-UHFFFAOYSA-N -1 1 366.425 2.394 20 0 FEADMM CC1(C2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)OCCO1 ZINC000820612792 607174267 /nfs/dbraw/zinc/17/42/67/607174267.db2.gz JHMBCBIRQNRMPG-UHFFFAOYSA-N -1 1 366.425 2.394 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492779 607817076 /nfs/dbraw/zinc/81/70/76/607817076.db2.gz CLEHVMHUTNPJHI-UHFFFAOYSA-N -1 1 368.378 2.323 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccnn1C1CCCC1 ZINC000826418840 607864070 /nfs/dbraw/zinc/86/40/70/607864070.db2.gz YNDKTUAGNULXHZ-UHFFFAOYSA-N -1 1 371.376 2.335 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccnn1C1CCCC1 ZINC000826418840 607864071 /nfs/dbraw/zinc/86/40/71/607864071.db2.gz YNDKTUAGNULXHZ-UHFFFAOYSA-N -1 1 371.376 2.335 20 0 FEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000826292993 607867758 /nfs/dbraw/zinc/86/77/58/607867758.db2.gz WKVDOYDXEONBMZ-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000826292993 607867759 /nfs/dbraw/zinc/86/77/59/607867759.db2.gz WKVDOYDXEONBMZ-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ccnnc1 ZINC000826442374 607928851 /nfs/dbraw/zinc/92/88/51/607928851.db2.gz SPNWFIJMZAXCGD-UHFFFAOYSA-N -1 1 363.406 2.315 20 0 FEADMM CN(C)[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(Cl)c1 ZINC000825850244 607999329 /nfs/dbraw/zinc/99/93/29/607999329.db2.gz OMVYWTYPWGJXQM-OAHLLOKOSA-N -1 1 372.816 2.467 20 0 FEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1ccnnc1 ZINC000826272164 608055046 /nfs/dbraw/zinc/05/50/46/608055046.db2.gz WSPDZTOXWCBRNU-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM CN(C)C(=O)c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000825848921 608175800 /nfs/dbraw/zinc/17/58/00/608175800.db2.gz HUFPYTUOEMFMIO-UHFFFAOYSA-N -1 1 350.791 2.471 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000825000195 608236228 /nfs/dbraw/zinc/23/62/28/608236228.db2.gz NXIKKNQVWJJRTA-NWDGAFQWSA-N -1 1 359.434 2.096 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000825000195 608236230 /nfs/dbraw/zinc/23/62/30/608236230.db2.gz NXIKKNQVWJJRTA-NWDGAFQWSA-N -1 1 359.434 2.096 20 0 FEADMM CCc1nn(C)c(OC)c1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825759233 608241279 /nfs/dbraw/zinc/24/12/79/608241279.db2.gz AAMHLLUJBWLYOD-UHFFFAOYSA-N -1 1 364.413 2.332 20 0 FEADMM CCc1nn(C)c(OC)c1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825759233 608241281 /nfs/dbraw/zinc/24/12/81/608241281.db2.gz AAMHLLUJBWLYOD-UHFFFAOYSA-N -1 1 364.413 2.332 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826472396 608333864 /nfs/dbraw/zinc/33/38/64/608333864.db2.gz JRCTYAQNIXDDFP-UHFFFAOYSA-N -1 1 367.800 2.240 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826472396 608333865 /nfs/dbraw/zinc/33/38/65/608333865.db2.gz JRCTYAQNIXDDFP-UHFFFAOYSA-N -1 1 367.800 2.240 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@@H]1C ZINC000824961690 608341686 /nfs/dbraw/zinc/34/16/86/608341686.db2.gz GIGURBFYDDLVHI-ZJUUUORDSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@@H]1C ZINC000824961690 608341687 /nfs/dbraw/zinc/34/16/87/608341687.db2.gz GIGURBFYDDLVHI-ZJUUUORDSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H]1C ZINC000824961584 608342150 /nfs/dbraw/zinc/34/21/50/608342150.db2.gz DJKNCKZFTXMBCO-NXEZZACHSA-N -1 1 355.851 2.187 20 0 FEADMM FC(F)(F)c1ccc(OCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826369244 608400666 /nfs/dbraw/zinc/40/06/66/608400666.db2.gz TWKYCWUJCCESEK-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1ccc(OCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826369244 608400668 /nfs/dbraw/zinc/40/06/68/608400668.db2.gz TWKYCWUJCCESEK-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(OC[C@@H]2CCCO2)c1 ZINC000826288319 608432120 /nfs/dbraw/zinc/43/21/20/608432120.db2.gz BGQJCNWBJBHTAU-AWEZNQCLSA-N -1 1 367.413 2.135 20 0 FEADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(OC[C@@H]2CCCO2)c1 ZINC000826288319 608432121 /nfs/dbraw/zinc/43/21/21/608432121.db2.gz BGQJCNWBJBHTAU-AWEZNQCLSA-N -1 1 367.413 2.135 20 0 FEADMM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000825991843 608498090 /nfs/dbraw/zinc/49/80/90/608498090.db2.gz JFDPEHMYDQDMNT-UHFFFAOYSA-N -1 1 353.411 2.209 20 0 FEADMM COc1ccc(CNc2nc(-c3nn[n-]n3)ccc2C)c(OC)c1OC ZINC000826204182 608544463 /nfs/dbraw/zinc/54/44/63/608544463.db2.gz ARYMNZLDOAKSHA-UHFFFAOYSA-N -1 1 356.386 2.208 20 0 FEADMM O=C(NCCNc1snc(Cl)c1-c1nnn[n-]1)NC1CCCCC1 ZINC000826438519 608585234 /nfs/dbraw/zinc/58/52/34/608585234.db2.gz GPJTYNUFIXWJDQ-UHFFFAOYSA-N -1 1 370.870 2.020 20 0 FEADMM O=C(NCCNc1snc(Cl)c1-c1nn[n-]n1)NC1CCCCC1 ZINC000826438519 608585236 /nfs/dbraw/zinc/58/52/36/608585236.db2.gz GPJTYNUFIXWJDQ-UHFFFAOYSA-N -1 1 370.870 2.020 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000826424831 608892401 /nfs/dbraw/zinc/89/24/01/608892401.db2.gz FIEAIJYYAPKJNY-MRXNPFEDSA-N -1 1 369.404 2.250 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000826424831 608892404 /nfs/dbraw/zinc/89/24/04/608892404.db2.gz FIEAIJYYAPKJNY-MRXNPFEDSA-N -1 1 369.404 2.250 20 0 FEADMM CC[C@@H](C)Oc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccn1 ZINC000825074096 609261189 /nfs/dbraw/zinc/26/11/89/609261189.db2.gz FRMCMULGWJUJCZ-SNVBAGLBSA-N -1 1 354.370 2.397 20 0 FEADMM CCCCO[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825290723 609290431 /nfs/dbraw/zinc/29/04/31/609290431.db2.gz GOOUJXAIWZKNMG-LLVKDONJSA-N -1 1 373.392 2.335 20 0 FEADMM Cc1ccc(-c2ccc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)s2)o1 ZINC000826273735 609393676 /nfs/dbraw/zinc/39/36/76/609393676.db2.gz RIYMNSIHRXVXSY-UHFFFAOYSA-N -1 1 355.383 2.482 20 0 FEADMM Cc1ccc(-c2ccc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)s2)o1 ZINC000826273735 609393677 /nfs/dbraw/zinc/39/36/77/609393677.db2.gz RIYMNSIHRXVXSY-UHFFFAOYSA-N -1 1 355.383 2.482 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1F ZINC000826304186 609394954 /nfs/dbraw/zinc/39/49/54/609394954.db2.gz BBMKHTIHQGTNGM-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1F ZINC000826304186 609394956 /nfs/dbraw/zinc/39/49/56/609394956.db2.gz BBMKHTIHQGTNGM-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)[C@@H]2C ZINC000826212542 609408317 /nfs/dbraw/zinc/40/83/17/609408317.db2.gz UHBXTHWWSQWHPS-NWDGAFQWSA-N -1 1 364.409 2.418 20 0 FEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)[C@@H]2C ZINC000826212542 609408320 /nfs/dbraw/zinc/40/83/20/609408320.db2.gz UHBXTHWWSQWHPS-NWDGAFQWSA-N -1 1 364.409 2.418 20 0 FEADMM Cc1cc(Nc2nccnc2-c2nnn[n-]2)cnc1N1CCCC[C@@H]1C ZINC000826271426 609563905 /nfs/dbraw/zinc/56/39/05/609563905.db2.gz QRPDZDPNNXUTPS-LBPRGKRZSA-N -1 1 351.418 2.483 20 0 FEADMM Cc1cc(Nc2nccnc2-c2nn[n-]n2)cnc1N1CCCC[C@@H]1C ZINC000826271426 609563907 /nfs/dbraw/zinc/56/39/07/609563907.db2.gz QRPDZDPNNXUTPS-LBPRGKRZSA-N -1 1 351.418 2.483 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000826341039 609623187 /nfs/dbraw/zinc/62/31/87/609623187.db2.gz UMGYTPADMDYZHW-YPMHNXCESA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000826341039 609623188 /nfs/dbraw/zinc/62/31/88/609623188.db2.gz UMGYTPADMDYZHW-YPMHNXCESA-N -1 1 370.413 2.104 20 0 FEADMM Cc1cccc(CC(=O)OCCc2c(C)nc3nc[n-]n3c2=O)c1Cl ZINC000810668694 674556113 /nfs/dbraw/zinc/55/61/13/674556113.db2.gz YDPXWQPDGYKLMJ-UHFFFAOYSA-N -1 1 360.801 2.016 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nc(C(C)(C)C)no3)n2)cc1 ZINC000559984057 674562973 /nfs/dbraw/zinc/56/29/73/674562973.db2.gz AFIUVXIPUSCJLP-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3nc(C(C)(C)C)no3)n[n-]2)cc1 ZINC000559984057 674562976 /nfs/dbraw/zinc/56/29/76/674562976.db2.gz AFIUVXIPUSCJLP-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)c1cccc(C)c1C ZINC000560063806 674566297 /nfs/dbraw/zinc/56/62/97/674566297.db2.gz OPPRCSSZMMXUPR-MRXNPFEDSA-N -1 1 366.439 2.324 20 0 FEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1cc2ccccc2o1)C(F)(F)F ZINC000560420604 674586128 /nfs/dbraw/zinc/58/61/28/674586128.db2.gz BVTQZZLMWVZWLA-VIFPVBQESA-N -1 1 351.302 2.364 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)NCc2cccc(F)c2)C1)C(F)(F)F ZINC000811857803 674633850 /nfs/dbraw/zinc/63/38/50/674633850.db2.gz CWNKGYWIJXGVNU-GFCCVEGCSA-N -1 1 361.339 2.426 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)[C@H]1CCCOC1 ZINC000561722167 674693226 /nfs/dbraw/zinc/69/32/26/674693226.db2.gz JLUMTQNATSAVSY-DLBZAZTESA-N -1 1 369.483 2.081 20 0 FEADMM CSc1ccc(N2C[C@@H](C(=O)[N-]OCCOC(C)C)CC2=O)cc1 ZINC000812804370 674699569 /nfs/dbraw/zinc/69/95/69/674699569.db2.gz IGWMQFLJUNUWQG-ZDUSSCGKSA-N -1 1 352.456 2.234 20 0 FEADMM O=C1NCCN(Cc2ncccc2[O-])[C@H]1c1ccccc1C(F)(F)F ZINC000561956442 674710067 /nfs/dbraw/zinc/71/00/67/674710067.db2.gz HUUGAFHOEOCTSB-HNNXBMFYSA-N -1 1 351.328 2.479 20 0 FEADMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000562720955 674794794 /nfs/dbraw/zinc/79/47/94/674794794.db2.gz DMHDLMUITYMECX-QWRGUYRKSA-N -1 1 361.876 2.334 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccncc3)C2)sc1C ZINC000562731638 674797001 /nfs/dbraw/zinc/79/70/01/674797001.db2.gz UQMBEUFMPIAXEO-KGLIPLIRSA-N -1 1 353.469 2.354 20 0 FEADMM Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCO1 ZINC000562733108 674797267 /nfs/dbraw/zinc/79/72/67/674797267.db2.gz NWTVXZYAOSLWSX-FZMZJTMJSA-N -1 1 373.837 2.411 20 0 FEADMM CCC(Nc1ccc(Cl)cc1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814347074 674833050 /nfs/dbraw/zinc/83/30/50/674833050.db2.gz UGSRLQHTINXMDQ-OUKQBFOZSA-N -1 1 367.858 2.306 20 0 FEADMM Cn1[n-]c(COC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)nc1=O ZINC000815302308 674940069 /nfs/dbraw/zinc/94/00/69/674940069.db2.gz MJCGLFKSDWIDON-UHFFFAOYSA-N -1 1 366.805 2.225 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)[C@@H]2C1 ZINC000564093024 674972806 /nfs/dbraw/zinc/97/28/06/674972806.db2.gz BYXOZVURWAMKFL-ZOWXZIJZSA-N -1 1 374.865 2.404 20 0 FEADMM Cn1cc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(Cl)n1 ZINC000815797565 674973547 /nfs/dbraw/zinc/97/35/47/674973547.db2.gz VQSFOLYNDVVFRL-UHFFFAOYSA-N -1 1 361.829 2.443 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCCC1 ZINC000564339153 674997728 /nfs/dbraw/zinc/99/77/28/674997728.db2.gz BLUUUUMCHMMTPP-UHFFFAOYSA-N -1 1 353.419 2.495 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCCc2cnoc2)o1 ZINC000816232288 675037668 /nfs/dbraw/zinc/03/76/68/675037668.db2.gz NJGFBJDTSRCAFG-UHFFFAOYSA-N -1 1 356.400 2.134 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000564656872 675048739 /nfs/dbraw/zinc/04/87/39/675048739.db2.gz XXEBFNXRPKOSAW-OBJOEFQTSA-N -1 1 350.415 2.073 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C2=C(C)OCCS2)n[n-]1 ZINC000816409382 675053420 /nfs/dbraw/zinc/05/34/20/675053420.db2.gz MPPIKWXRKFPRQQ-LLVKDONJSA-N -1 1 368.459 2.180 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C2=C(C)OCCS2)[n-]1 ZINC000816409382 675053422 /nfs/dbraw/zinc/05/34/22/675053422.db2.gz MPPIKWXRKFPRQQ-LLVKDONJSA-N -1 1 368.459 2.180 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C2=C(C)OCCS2)n1 ZINC000816409382 675053423 /nfs/dbraw/zinc/05/34/23/675053423.db2.gz MPPIKWXRKFPRQQ-LLVKDONJSA-N -1 1 368.459 2.180 20 0 FEADMM CCSc1ccc(Cl)cc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000816492816 675059831 /nfs/dbraw/zinc/05/98/31/675059831.db2.gz DZJJKPSSRUOVGZ-UHFFFAOYSA-N -1 1 367.862 2.089 20 0 FEADMM CCC(Nc1ccc(C)c(F)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009866030 669985369 /nfs/dbraw/zinc/98/53/69/669985369.db2.gz SWSGJFQPKOVNTF-YPKPFQOOSA-N -1 1 365.430 2.100 20 0 FEADMM O=C(NNC(=O)c1cc(Br)ccc1[O-])c1ccccc1F ZINC000011639464 669998338 /nfs/dbraw/zinc/99/83/38/669998338.db2.gz MAKVPBFNRQTERL-UHFFFAOYSA-N -1 1 353.147 2.369 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C(=O)O1 ZINC000816623744 675069326 /nfs/dbraw/zinc/06/93/26/675069326.db2.gz JBUFGPBEYIMBSK-SKDRFNHKSA-N -1 1 350.371 2.173 20 0 FEADMM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000026542814 670071447 /nfs/dbraw/zinc/07/14/47/670071447.db2.gz OMDXGAOMVOBEMD-UHFFFAOYSA-N -1 1 356.363 2.022 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000029817573 670104217 /nfs/dbraw/zinc/10/42/17/670104217.db2.gz CQEXVAKJXIKEBJ-GFCCVEGCSA-N -1 1 364.423 2.473 20 0 FEADMM COc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1[N-]S(C)(=O)=O ZINC000030212523 670106550 /nfs/dbraw/zinc/10/65/50/670106550.db2.gz BCZFLCWQBOGKAS-UHFFFAOYSA-N -1 1 362.407 2.254 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)c1Cl ZINC000030433299 670110229 /nfs/dbraw/zinc/11/02/29/670110229.db2.gz MCYOCXCCUGLCJV-UHFFFAOYSA-N -1 1 370.862 2.268 20 0 FEADMM O=C(NC[C@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000041336386 670144691 /nfs/dbraw/zinc/14/46/91/670144691.db2.gz XLTHLWOJKAFMQL-LBPRGKRZSA-N -1 1 366.211 2.324 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000047454544 670242416 /nfs/dbraw/zinc/24/24/16/670242416.db2.gz ZXIZURYYBDSCDI-UHFFFAOYSA-N -1 1 368.480 2.348 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N[C@H](C)C(C)C ZINC000052171386 670309791 /nfs/dbraw/zinc/30/97/91/670309791.db2.gz DJLYGYXHPFJWDM-CYBMUJFWSA-N -1 1 370.471 2.156 20 0 FEADMM CN(CCCC[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 ZINC000053671395 670325765 /nfs/dbraw/zinc/32/57/65/670325765.db2.gz XOLGLHVHDMLNNJ-UHFFFAOYSA-N -1 1 356.879 2.268 20 0 FEADMM O=C(COC(=O)CCc1cccc(Cl)c1)N[N-]C(=O)c1cccs1 ZINC000053752690 670326924 /nfs/dbraw/zinc/32/69/24/670326924.db2.gz KIFOJVPDXGVVMU-UHFFFAOYSA-N -1 1 366.826 2.339 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)[N-]NC(=S)NC(C)(C)C)c1C#N ZINC000053759222 670327233 /nfs/dbraw/zinc/32/72/33/670327233.db2.gz MOXQMKPWWLUKJI-UHFFFAOYSA-N -1 1 363.512 2.460 20 0 FEADMM CN(CCC[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1F ZINC000055297613 670349695 /nfs/dbraw/zinc/34/96/95/670349695.db2.gz ZXLVINABXXGZPT-UHFFFAOYSA-N -1 1 360.842 2.017 20 0 FEADMM CCOc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000057675281 670370477 /nfs/dbraw/zinc/37/04/77/670370477.db2.gz UUQJWOYIIGBNMP-UHFFFAOYSA-N -1 1 364.785 2.284 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CC(C)(C)c2ccc3c(c2)OCO3)c1Cl ZINC000058509566 670378501 /nfs/dbraw/zinc/37/85/01/670378501.db2.gz QBZXPPNYTWEXMI-UHFFFAOYSA-N -1 1 371.846 2.058 20 0 FEADMM CCCOc1ccc(C(F)(F)F)cc1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000060863121 670390237 /nfs/dbraw/zinc/39/02/37/670390237.db2.gz RATHEIGYJLJWGN-UHFFFAOYSA-N -1 1 373.356 2.321 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCCC(C)(C)C ZINC000062294292 670400077 /nfs/dbraw/zinc/40/00/77/670400077.db2.gz SMJXRSIIQLZTPI-UHFFFAOYSA-N -1 1 370.471 2.157 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCCOCC(F)(F)F ZINC000063976991 670414721 /nfs/dbraw/zinc/41/47/21/670414721.db2.gz JLYVMIJNORNAOU-UHFFFAOYSA-N -1 1 361.363 2.245 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n[n-]c1=S ZINC000066639023 670445866 /nfs/dbraw/zinc/44/58/66/670445866.db2.gz SIABWXHCQRGPNY-LBPRGKRZSA-N -1 1 367.519 2.422 20 0 FEADMM CC(C)n1c(CNC(=O)CCc2nc(C(C)(C)C)no2)n[n-]c1=S ZINC000066640269 670446178 /nfs/dbraw/zinc/44/61/78/670446178.db2.gz UZASJQFJWMHAJU-UHFFFAOYSA-N -1 1 352.464 2.451 20 0 FEADMM CC(C)[C@@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000066639955 670446221 /nfs/dbraw/zinc/44/62/21/670446221.db2.gz IFXOMLIFMJCPTP-GUTXKFCHSA-N -1 1 369.535 2.272 20 0 FEADMM COC1([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CCOCC1 ZINC000817154736 675106731 /nfs/dbraw/zinc/10/67/31/675106731.db2.gz WSROCTVFJRWSKA-SECBINFHSA-N -1 1 369.270 2.251 20 0 FEADMM CCC[C@@H](C)N1C[C@@H](C(=O)NCCc2n[n-]c(=S)n2C(C)C)CC1=O ZINC000067074023 670452375 /nfs/dbraw/zinc/45/23/75/670452375.db2.gz JEGHRJJERLCUHG-OLZOCXBDSA-N -1 1 367.519 2.217 20 0 FEADMM CCn1c(CCNC(=O)c2cnc(-c3ccccc3)nc2)n[n-]c1=S ZINC000067076972 670452975 /nfs/dbraw/zinc/45/29/75/670452975.db2.gz SVFODMWMCMJZOJ-UHFFFAOYSA-N -1 1 354.439 2.390 20 0 FEADMM COc1cc[n-]c(=NNC(=O)c2csc(-c3ccccc3OC)n2)n1 ZINC000070019957 670490936 /nfs/dbraw/zinc/49/09/36/670490936.db2.gz RICZITWWUIAMGW-UHFFFAOYSA-N -1 1 357.395 2.374 20 0 FEADMM O=C([N-]NC(=O)c1cn2ccccc2n1)c1ccc(Br)s1 ZINC000071035159 670493629 /nfs/dbraw/zinc/49/36/29/670493629.db2.gz SPHLQBHEFGGWRP-UHFFFAOYSA-N -1 1 365.212 2.233 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3ccccc32)o1 ZINC000073914524 670510611 /nfs/dbraw/zinc/51/06/11/670510611.db2.gz ODZJXFIMIVQXDP-UHFFFAOYSA-N -1 1 362.411 2.485 20 0 FEADMM Cn1cc(CCN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cn1 ZINC000817293243 675118428 /nfs/dbraw/zinc/11/84/28/675118428.db2.gz LFJJXNGICYGTMV-AWEZNQCLSA-N -1 1 352.360 2.072 20 0 FEADMM Cc1nnc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)s1 ZINC000817293528 675118538 /nfs/dbraw/zinc/11/85/38/675118538.db2.gz MOSSMXGDIPXPLU-LLVKDONJSA-N -1 1 356.373 2.456 20 0 FEADMM CCc1nc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)no1 ZINC000817293175 675118666 /nfs/dbraw/zinc/11/86/66/675118666.db2.gz KKMGSGNJJRJICI-LLVKDONJSA-N -1 1 354.332 2.242 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc2n(n1)CCCC2 ZINC000569663012 670592866 /nfs/dbraw/zinc/59/28/66/670592866.db2.gz CXXODLPLHCHFEH-UHFFFAOYSA-N -1 1 358.789 2.616 20 0 FEADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc2n(n1)CCCC2 ZINC000569663012 670592871 /nfs/dbraw/zinc/59/28/71/670592871.db2.gz CXXODLPLHCHFEH-UHFFFAOYSA-N -1 1 358.789 2.616 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1SC)OCCO2)C1CC1 ZINC000565480800 675125767 /nfs/dbraw/zinc/12/57/67/675125767.db2.gz JGVHEGUUEBKWBB-CQSZACIVSA-N -1 1 359.469 2.346 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000570103277 670661532 /nfs/dbraw/zinc/66/15/32/670661532.db2.gz LPXZYTLQTMOYKF-VIFPVBQESA-N -1 1 365.377 2.396 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1nnc(-c2ccco2)o1 ZINC000570129678 670664554 /nfs/dbraw/zinc/66/45/54/670664554.db2.gz DKPJKXBBJCIRHO-UHFFFAOYSA-N -1 1 369.309 2.494 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCCc2c(C)noc2C)c(=O)[n-]1 ZINC000084808284 670675477 /nfs/dbraw/zinc/67/54/77/670675477.db2.gz XHFIZLANBXMTFT-UHFFFAOYSA-N -1 1 364.471 2.087 20 0 FEADMM CC(C)n1c(CNC(=O)Nc2cnn(-c3ccccn3)c2)n[n-]c1=S ZINC000085602093 670681051 /nfs/dbraw/zinc/68/10/51/670681051.db2.gz CUMZQMDVAYVWCO-UHFFFAOYSA-N -1 1 358.431 2.424 20 0 FEADMM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000089339957 670699961 /nfs/dbraw/zinc/69/99/61/670699961.db2.gz XODRWUFTVQXBKN-CPCISQLKSA-N -1 1 360.266 2.387 20 0 FEADMM CCn1c(C2CCN(S(=O)(=O)c3cncc(F)c3)CC2)n[n-]c1=S ZINC000097576186 670763924 /nfs/dbraw/zinc/76/39/24/670763924.db2.gz URWGZFJFUURKDA-UHFFFAOYSA-N -1 1 371.463 2.063 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)cc1 ZINC000102862577 670778066 /nfs/dbraw/zinc/77/80/66/670778066.db2.gz ZHJKBABMSZRHNU-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CC(C)OCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493027 675138821 /nfs/dbraw/zinc/13/88/21/675138821.db2.gz QNBKDTAJCYZPNY-ZDUSSCGKSA-N -1 1 358.360 2.438 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(N(C)C)cc3F)no2)co1 ZINC000571054429 670809062 /nfs/dbraw/zinc/80/90/62/670809062.db2.gz PVJPZJDYEHHXJM-UHFFFAOYSA-N -1 1 366.374 2.110 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000571299063 670851700 /nfs/dbraw/zinc/85/17/00/670851700.db2.gz VTRJSMAWKKCJJI-LBPRGKRZSA-N -1 1 361.471 2.212 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000111353767 670857105 /nfs/dbraw/zinc/85/71/05/670857105.db2.gz OZIGGEAWASWGBI-JTQLQIEISA-N -1 1 362.398 2.253 20 0 FEADMM CC(C)OC(=O)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000112707412 670875077 /nfs/dbraw/zinc/87/50/77/670875077.db2.gz DNBFYJWZDHHVRJ-UHFFFAOYSA-N -1 1 362.398 2.253 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc(-n4ccnc4)c3)cc21 ZINC000116602145 670906922 /nfs/dbraw/zinc/90/69/22/670906922.db2.gz HQVDSIIITKGVNA-UHFFFAOYSA-N -1 1 355.375 2.344 20 0 FEADMM CCC[C@@H](O)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817675522 675160287 /nfs/dbraw/zinc/16/02/87/675160287.db2.gz QOPOIHLJPKZPMF-CHWSQXEVSA-N -1 1 358.360 2.174 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)cc1F ZINC000573164649 671090020 /nfs/dbraw/zinc/09/00/20/671090020.db2.gz KARJLLOLAZSWHN-UHFFFAOYSA-N -1 1 367.333 2.011 20 0 FEADMM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1c(F)ccc([O-])c1F ZINC000573167761 671090066 /nfs/dbraw/zinc/09/00/66/671090066.db2.gz WSMKWQIEBPODKS-LLVKDONJSA-N -1 1 359.369 2.348 20 0 FEADMM CSCCNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817775582 675176203 /nfs/dbraw/zinc/17/62/03/675176203.db2.gz SNYNXZPNQSYUHP-NSHDSACASA-N -1 1 361.389 2.169 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCSC1)C(F)(F)F ZINC000817777880 675176816 /nfs/dbraw/zinc/17/68/16/675176816.db2.gz LNUDSOCUAONZQG-NEPJUHHUSA-N -1 1 373.400 2.311 20 0 FEADMM CCO[C@H]1C[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000573907483 671179744 /nfs/dbraw/zinc/17/97/44/671179744.db2.gz LKDDWZTVIICLDG-SJORKVTESA-N -1 1 360.435 2.395 20 0 FEADMM O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)c1cc(=O)n2[n-]cnc2n1 ZINC000575012197 671292684 /nfs/dbraw/zinc/29/26/84/671292684.db2.gz SYTGUNCZIYTKGK-AAEUAGOBSA-N -1 1 357.801 2.137 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@@]2(O)CCCC(C)(C)C2)c(C(F)(F)F)n1 ZINC000576056016 671341051 /nfs/dbraw/zinc/34/10/51/671341051.db2.gz ONEGDKNVIKVWAK-CYBMUJFWSA-N -1 1 369.409 2.049 20 0 FEADMM CCN(CC)CCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000576156629 671347911 /nfs/dbraw/zinc/34/79/11/671347911.db2.gz FGOBHMOPQAJYQV-AWEZNQCLSA-N -1 1 362.879 2.117 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1(C2CC2)CC1 ZINC000576586267 671379646 /nfs/dbraw/zinc/37/96/46/671379646.db2.gz RIVBCUICLQXIEG-UHFFFAOYSA-N -1 1 363.266 2.331 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)s[n-]1 ZINC000576742894 671390981 /nfs/dbraw/zinc/39/09/81/671390981.db2.gz ICTNGJDHMIBCRI-ZWNOBZJWSA-N -1 1 367.450 2.231 20 0 FEADMM O=C([O-])[C@]1(c2ccccc2)CCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000576999171 671410060 /nfs/dbraw/zinc/41/00/60/671410060.db2.gz VFQBJDDCKUWEEW-LJQANCHMSA-N -1 1 359.447 2.189 20 0 FEADMM CS(=O)(=O)CC1(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)CC1 ZINC000577232830 671426040 /nfs/dbraw/zinc/42/60/40/671426040.db2.gz WOQDNTFTMYYGKT-UHFFFAOYSA-N -1 1 365.495 2.464 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(OCC(=O)OC)c2)c1 ZINC000608954836 675907747 /nfs/dbraw/zinc/90/77/47/675907747.db2.gz OGIFFASJOLZPCV-UHFFFAOYSA-N -1 1 365.407 2.186 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C(=O)OC ZINC000609196941 675913898 /nfs/dbraw/zinc/91/38/98/675913898.db2.gz WJCXSPJLEQTHCD-INIZCTEOSA-N -1 1 352.412 2.103 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)COc2cccc(C)c2)o1 ZINC000609351982 675919681 /nfs/dbraw/zinc/91/96/81/675919681.db2.gz HYUFJCSIKGKMHE-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM COc1ccc(Br)cc1[C@H]1CCCN1C[C@@](C)(O)C(=O)[O-] ZINC000578448427 671666236 /nfs/dbraw/zinc/66/62/36/671666236.db2.gz XDRIGEPIRSHRCZ-IUODEOHRSA-N -1 1 358.232 2.430 20 0 FEADMM COc1ccc(Br)cc1[C@H]1CCCN1C[C@](C)(O)C(=O)[O-] ZINC000578448426 671666277 /nfs/dbraw/zinc/66/62/77/671666277.db2.gz XDRIGEPIRSHRCZ-DOMZBBRYSA-N -1 1 358.232 2.430 20 0 FEADMM O=C(c1csc([C@H]2CCCO2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000579028779 671707314 /nfs/dbraw/zinc/70/73/14/671707314.db2.gz PPAZPKWTFUBDDJ-LLVKDONJSA-N -1 1 350.400 2.103 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1C ZINC000609796396 675936787 /nfs/dbraw/zinc/93/67/87/675936787.db2.gz SJBZYDNVQRRHOI-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1nnn[n-]1 ZINC000609836209 675938399 /nfs/dbraw/zinc/93/83/99/675938399.db2.gz UNGXBKGNFLZRNT-UHFFFAOYSA-N -1 1 359.367 2.124 20 0 FEADMM COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1nn[n-]n1 ZINC000609836209 675938401 /nfs/dbraw/zinc/93/84/01/675938401.db2.gz UNGXBKGNFLZRNT-UHFFFAOYSA-N -1 1 359.367 2.124 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1OC ZINC000580011467 671776604 /nfs/dbraw/zinc/77/66/04/671776604.db2.gz GBKYPPBHHAJRJN-UHFFFAOYSA-N -1 1 351.305 2.396 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](COc1ccccc1F)C(C)(C)C ZINC000580129756 671784280 /nfs/dbraw/zinc/78/42/80/671784280.db2.gz PZOCOWCGDRMPQF-ZDUSSCGKSA-N -1 1 371.434 2.476 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)sc1C ZINC000580145563 671785423 /nfs/dbraw/zinc/78/54/23/671785423.db2.gz LKMVOLOOFYHBDS-LBPRGKRZSA-N -1 1 355.460 2.456 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@H](c2cccs2)N(C)C)s[n-]1 ZINC000581160081 671868555 /nfs/dbraw/zinc/86/85/55/671868555.db2.gz AZYMUPRXQJPQAT-VHSXEESVSA-N -1 1 355.489 2.153 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000581164481 671868915 /nfs/dbraw/zinc/86/89/15/671868915.db2.gz OGWODPROWCZOSH-UHFFFAOYSA-N -1 1 368.842 2.318 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)co1 ZINC000119105254 671892545 /nfs/dbraw/zinc/89/25/45/671892545.db2.gz GYMPBKKOHQRBOM-LLVKDONJSA-N -1 1 364.301 2.043 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 ZINC000120836016 671936398 /nfs/dbraw/zinc/93/63/98/671936398.db2.gz CRWUOXIWNSYBOW-JQWIXIFHSA-N -1 1 360.464 2.307 20 0 FEADMM CN(C)c1ccc(NC(=O)Cc2sc(N)nc2[O-])c(C(F)(F)F)c1 ZINC000120939409 671939187 /nfs/dbraw/zinc/93/91/87/671939187.db2.gz ZAPZVMYXKCHGRW-JTQLQIEISA-N -1 1 360.361 2.057 20 0 FEADMM Nc1nc([O-])c(CC(=O)Nc2ccc(Br)c(Cl)c2)s1 ZINC000126876565 672029847 /nfs/dbraw/zinc/02/98/47/672029847.db2.gz UEPJAEPVYYQRNU-MRVPVSSYSA-N -1 1 362.636 2.388 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1ccc(OC)cc1 ZINC000583282339 672080603 /nfs/dbraw/zinc/08/06/03/672080603.db2.gz YFNAXIJIQMMAHP-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CCCSC(C)(C)C ZINC000131257846 672086162 /nfs/dbraw/zinc/08/61/62/672086162.db2.gz LGYXYTMKEJLVNM-UHFFFAOYSA-N -1 1 352.460 2.124 20 0 FEADMM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)s1 ZINC000584082808 672153763 /nfs/dbraw/zinc/15/37/63/672153763.db2.gz KRTGGDVEHLNQKY-UHFFFAOYSA-N -1 1 374.434 2.455 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)CCOc2cccc(Cl)c2Cl)n[nH]1 ZINC000153351480 672197315 /nfs/dbraw/zinc/19/73/15/672197315.db2.gz OXLNCVGZKPTNJQ-UHFFFAOYSA-N -1 1 357.197 2.255 20 0 FEADMM O=S(=O)([N-]c1cccc(CN2CCOCC2)c1)c1ccc(F)cc1 ZINC000153918658 672207000 /nfs/dbraw/zinc/20/70/00/672207000.db2.gz JJUAPCLLVFXAIJ-UHFFFAOYSA-N -1 1 350.415 2.459 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(C)c1)c1ccccc1F ZINC000610702499 675990583 /nfs/dbraw/zinc/99/05/83/675990583.db2.gz SIVASLXMMBVKBT-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000586574155 672239089 /nfs/dbraw/zinc/23/90/89/672239089.db2.gz RNYSJFHFBCOVCY-UHFFFAOYSA-N -1 1 353.371 2.438 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000156335771 672245041 /nfs/dbraw/zinc/24/50/41/672245041.db2.gz IKPAKPVMPIJZFK-LLVKDONJSA-N -1 1 363.167 2.270 20 0 FEADMM Cc1csc(=O)n1CCC(=O)Nc1nc(Br)ccc1[O-] ZINC000156350097 672245182 /nfs/dbraw/zinc/24/51/82/672245182.db2.gz HUWITVGNURZJSS-UHFFFAOYSA-N -1 1 358.217 2.110 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)s1 ZINC000610785390 675996563 /nfs/dbraw/zinc/99/65/63/675996563.db2.gz PAJRJOHJTGJHQF-ZETCQYMHSA-N -1 1 355.384 2.009 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N)N1CCCCC1 ZINC000160009071 672287841 /nfs/dbraw/zinc/28/78/41/672287841.db2.gz TUGVNDKQEASADB-INIZCTEOSA-N -1 1 367.446 2.013 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000171390102 672331934 /nfs/dbraw/zinc/33/19/34/672331934.db2.gz BFHBOQVIKMQWRR-JTQLQIEISA-N -1 1 356.216 2.380 20 0 FEADMM CCOC(=O)[C@@H](C)CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000175159912 672365829 /nfs/dbraw/zinc/36/58/29/672365829.db2.gz QNQGASSFVKDACL-LBPRGKRZSA-N -1 1 362.455 2.232 20 0 FEADMM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179540637 672402971 /nfs/dbraw/zinc/40/29/71/672402971.db2.gz OEOUAIYFVDLTRR-CSKARUKUSA-N -1 1 350.371 2.221 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(F)c(Br)cc2F)n[nH]1 ZINC000183353319 672466157 /nfs/dbraw/zinc/46/61/57/672466157.db2.gz ZMGOGMXAYGCNLG-UHFFFAOYSA-N -1 1 374.145 2.225 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c(F)c1 ZINC000588683525 672471975 /nfs/dbraw/zinc/47/19/75/672471975.db2.gz UOPWGJSXWQJCNR-SSDOTTSWSA-N -1 1 363.304 2.219 20 0 FEADMM CC(C)CN(C)S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000679192741 672473705 /nfs/dbraw/zinc/47/37/05/672473705.db2.gz MZVWHLLKYOSNAJ-UHFFFAOYSA-N -1 1 354.472 2.120 20 0 FEADMM COc1cc(C)[n-]c(=NNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)n1 ZINC000184356425 672497911 /nfs/dbraw/zinc/49/79/11/672497911.db2.gz DFIPPYHPSSBGHE-VHSXEESVSA-N -1 1 352.316 2.458 20 0 FEADMM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OC ZINC000186124585 672541492 /nfs/dbraw/zinc/54/14/92/672541492.db2.gz NWDIEYUIWPCMMO-MRVPVSSYSA-N -1 1 355.243 2.399 20 0 FEADMM N#Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1[O-] ZINC000188660174 672595459 /nfs/dbraw/zinc/59/54/59/672595459.db2.gz GSFJHDZSHZNVPX-GDBMZVCRSA-N -1 1 358.419 2.290 20 0 FEADMM NC(=O)[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(Br)c1 ZINC000681036863 672623568 /nfs/dbraw/zinc/62/35/68/672623568.db2.gz CXLWCOPHEBGYFI-ZDUSSCGKSA-N -1 1 367.174 2.250 20 0 FEADMM COc1ccc(NC(=O)C[C@H](C)n2cccc2)cc1[N-]S(C)(=O)=O ZINC000591094723 672649608 /nfs/dbraw/zinc/64/96/08/672649608.db2.gz MTRARQWVHJKSHT-LBPRGKRZSA-N -1 1 351.428 2.458 20 0 FEADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)C1Cc2ccccc2C1 ZINC000681577907 672676719 /nfs/dbraw/zinc/67/67/19/672676719.db2.gz ZKIXXRQTOIBYKX-UHFFFAOYSA-N -1 1 365.382 2.442 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCc1ccc(Cl)o1 ZINC000591424918 672680616 /nfs/dbraw/zinc/68/06/16/672680616.db2.gz CNCNWPYMTGXWIH-UHFFFAOYSA-N -1 1 359.773 2.053 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1[N-]S(C)(=O)=O ZINC000681772788 672695511 /nfs/dbraw/zinc/69/55/11/672695511.db2.gz YCTOUKSJGZAVLV-SMDDNHRTSA-N -1 1 353.444 2.473 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000592074711 672748425 /nfs/dbraw/zinc/74/84/25/672748425.db2.gz MINDQEBGMNLJMW-CVEARBPZSA-N -1 1 371.499 2.141 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000592076161 672748968 /nfs/dbraw/zinc/74/89/68/672748968.db2.gz VOVWEKLYAYSAJD-NSHDSACASA-N -1 1 353.362 2.360 20 0 FEADMM CNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000682367372 672749770 /nfs/dbraw/zinc/74/97/70/672749770.db2.gz MMYXWLNJVPCAFX-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1ccc(Br)c(Cl)c1)c1nn[n-]n1 ZINC000682531243 672769037 /nfs/dbraw/zinc/76/90/37/672769037.db2.gz XGQCTSWQTASCSI-QMMMGPOBSA-N -1 1 372.654 2.420 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc(Cl)nc1 ZINC000195482140 672785638 /nfs/dbraw/zinc/78/56/38/672785638.db2.gz UOXBPDSQOXYKBE-UHFFFAOYSA-N -1 1 359.817 2.349 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1CN(C)CCO1 ZINC000682730242 672787868 /nfs/dbraw/zinc/78/78/68/672787868.db2.gz USBPTOVOGPKOQJ-WCBMZHEXSA-N -1 1 371.261 2.130 20 0 FEADMM O=C(Nc1ccc(-n2cncn2)cn1)c1cc(Br)ccc1[O-] ZINC000682967105 672803695 /nfs/dbraw/zinc/80/36/95/672803695.db2.gz VRLZMLUWQHXARA-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM CC(C)(NCCS(=O)(=O)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263203523 672930066 /nfs/dbraw/zinc/93/00/66/672930066.db2.gz XSDGOCASYVJAPX-UHFFFAOYSA-N -1 1 354.255 2.318 20 0 FEADMM O=C([O-])CCNC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000263226764 672930465 /nfs/dbraw/zinc/93/04/65/672930465.db2.gz LYIMYZGSPKPYGX-HNNXBMFYSA-N -1 1 353.850 2.468 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c(F)c1 ZINC000593589418 672952028 /nfs/dbraw/zinc/95/20/28/672952028.db2.gz REWCMBUJNPAQAZ-UHFFFAOYSA-N -1 1 351.346 2.326 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)OCC)cc2F)o1 ZINC000593610261 672957854 /nfs/dbraw/zinc/95/78/54/672957854.db2.gz TXSBJDAOVCWLOY-UHFFFAOYSA-N -1 1 370.402 2.421 20 0 FEADMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593633432 672965561 /nfs/dbraw/zinc/96/55/61/672965561.db2.gz HATJKKDNCQGOOX-ZETCQYMHSA-N -1 1 364.247 2.376 20 0 FEADMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000684874180 672973044 /nfs/dbraw/zinc/97/30/44/672973044.db2.gz MFHCEJXNFTYXNC-VIFPVBQESA-N -1 1 353.362 2.306 20 0 FEADMM O=C(NCc1cocn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000593984366 673017691 /nfs/dbraw/zinc/01/76/91/673017691.db2.gz YSDIIFIAYLSSMX-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)c(=O)[n-]1 ZINC000594115975 673033158 /nfs/dbraw/zinc/03/31/58/673033158.db2.gz DSCQKIQVMDNQKY-SNVBAGLBSA-N -1 1 369.487 2.239 20 0 FEADMM C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000319813140 673037526 /nfs/dbraw/zinc/03/75/26/673037526.db2.gz KVARYRXPQHGEAX-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C)C2)c1F ZINC000594464867 673077571 /nfs/dbraw/zinc/07/75/71/673077571.db2.gz AXSFLRLXXTUWGQ-WCBMZHEXSA-N -1 1 365.810 2.112 20 0 FEADMM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC000721493682 673082926 /nfs/dbraw/zinc/08/29/26/673082926.db2.gz SCUOEHNXGYACRK-CYBMUJFWSA-N -1 1 359.451 2.435 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)sc1C ZINC000333288379 673098272 /nfs/dbraw/zinc/09/82/72/673098272.db2.gz QWPXEIGEKNJBLB-QMTHXVAHSA-N -1 1 365.480 2.232 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3c(cc[nH]c3=O)c2)CCCC1 ZINC000594699651 673118856 /nfs/dbraw/zinc/11/88/56/673118856.db2.gz MBRAGRRHRIQMPT-UHFFFAOYSA-N -1 1 364.423 2.003 20 0 FEADMM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C)C(F)(F)F ZINC000594702465 673119725 /nfs/dbraw/zinc/11/97/25/673119725.db2.gz YNYIFLUMOZWQIS-NSHDSACASA-N -1 1 357.325 2.297 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1csc(-c2ccoc2)n1 ZINC000594847477 673161400 /nfs/dbraw/zinc/16/14/00/673161400.db2.gz BVNAWRBKEPQEPG-ZDUSSCGKSA-N -1 1 352.379 2.436 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c(O)c1 ZINC000421161893 673198122 /nfs/dbraw/zinc/19/81/22/673198122.db2.gz YHOXTFZWEDYOJW-HNNXBMFYSA-N -1 1 351.424 2.400 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)c2cccc(OC)c2)cc1C ZINC000595301893 673219020 /nfs/dbraw/zinc/21/90/20/673219020.db2.gz ITMUNVUUYPSZPY-LLVKDONJSA-N -1 1 353.396 2.423 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)cc1C ZINC000595313233 673221652 /nfs/dbraw/zinc/22/16/52/673221652.db2.gz YLUJESXFGRKOOZ-UHFFFAOYSA-N -1 1 372.468 2.476 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)cc1C ZINC000595318384 673222946 /nfs/dbraw/zinc/22/29/46/673222946.db2.gz QWOGTQSKHBLDDY-ZDUSSCGKSA-N -1 1 353.371 2.480 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cc(OC)cc(OC)c2C)cc1C(=O)[O-] ZINC000443419670 673223587 /nfs/dbraw/zinc/22/35/87/673223587.db2.gz RIZMBJIJVJSZBE-UHFFFAOYSA-N -1 1 368.411 2.333 20 0 FEADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000729247538 673229729 /nfs/dbraw/zinc/22/97/29/673229729.db2.gz UFQFZKSLMILELU-UHFFFAOYSA-N -1 1 362.407 2.056 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](OC)C2CCCCC2)cc1C ZINC000595378208 673237153 /nfs/dbraw/zinc/23/71/53/673237153.db2.gz WZAVLOCOGFIKRA-ZDUSSCGKSA-N -1 1 359.444 2.248 20 0 FEADMM CS(=O)(=O)c1ccc(OCCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000730036229 673258054 /nfs/dbraw/zinc/25/80/54/673258054.db2.gz YDAVLNZYJXRVKQ-UHFFFAOYSA-N -1 1 369.826 2.258 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000462715586 673278301 /nfs/dbraw/zinc/27/83/01/673278301.db2.gz VPTBYYVHODGEMT-LBPRGKRZSA-N -1 1 355.362 2.200 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccoc3)n2)o1 ZINC000731068427 673299659 /nfs/dbraw/zinc/29/96/59/673299659.db2.gz DURPQMXMLAKUOJ-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cccc(OCCF)c2)cc1C(=O)[O-] ZINC000504261105 673338461 /nfs/dbraw/zinc/33/84/61/673338461.db2.gz SPNMWYTZONTPDY-UHFFFAOYSA-N -1 1 356.375 2.355 20 0 FEADMM COc1ccc(NC(=O)C(C)(C)c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000536141971 673362306 /nfs/dbraw/zinc/36/23/06/673362306.db2.gz XLZRCHKYSJVIOD-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM CCOc1ccccc1CCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537502567 673391807 /nfs/dbraw/zinc/39/18/07/673391807.db2.gz YJMZNLUFVKOPKS-UHFFFAOYSA-N -1 1 364.423 2.010 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cn1 ZINC000537567397 673394470 /nfs/dbraw/zinc/39/44/70/673394470.db2.gz OYIYVXGAFVPVQA-NSHDSACASA-N -1 1 357.398 2.175 20 0 FEADMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(F)(F)F ZINC000537563845 673394511 /nfs/dbraw/zinc/39/45/11/673394511.db2.gz NBUWVHLVFMEPAM-CMPLNLGQSA-N -1 1 369.409 2.490 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000733143714 673400237 /nfs/dbraw/zinc/40/02/37/673400237.db2.gz JDVMUJOGGUUNQN-UHFFFAOYSA-N -1 1 361.829 2.166 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)[C@H](C)[C@H]1OC ZINC000537750506 673405352 /nfs/dbraw/zinc/40/53/52/673405352.db2.gz UOSKDBDMRNDIRA-ZLKJLUDKSA-N -1 1 359.444 2.184 20 0 FEADMM Cc1cc(CNC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)n[nH]1 ZINC000733285617 673407247 /nfs/dbraw/zinc/40/72/47/673407247.db2.gz HNWTTZTUZYZNAZ-UHFFFAOYSA-N -1 1 358.423 2.173 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(NC2CC2)nc1 ZINC000538048824 673420068 /nfs/dbraw/zinc/42/00/68/673420068.db2.gz QMJVYJYYBLKCAA-UHFFFAOYSA-N -1 1 364.402 2.419 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000538138613 673423862 /nfs/dbraw/zinc/42/38/62/673423862.db2.gz YEVYSCLPXHURKJ-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCSc2ccccc2F)c1 ZINC000538951556 673468196 /nfs/dbraw/zinc/46/81/96/673468196.db2.gz LYLVNZBJHCOGAR-UHFFFAOYSA-N -1 1 370.427 2.300 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H](O)CCc1ccccc1 ZINC000539146650 673476501 /nfs/dbraw/zinc/47/65/01/673476501.db2.gz AJDABIPOGYLQKF-MRXNPFEDSA-N -1 1 366.414 2.129 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCOc1cccnc1 ZINC000539150732 673476637 /nfs/dbraw/zinc/47/66/37/673476637.db2.gz YYEHONZCHRECBZ-UHFFFAOYSA-N -1 1 367.402 2.390 20 0 FEADMM C[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000539706296 673502161 /nfs/dbraw/zinc/50/21/61/673502161.db2.gz YGFDPNAQDJIREM-SECBINFHSA-N -1 1 354.815 2.435 20 0 FEADMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000539952868 673515745 /nfs/dbraw/zinc/51/57/45/673515745.db2.gz UOAKGWRPBWNZGO-UHFFFAOYSA-N -1 1 360.750 2.167 20 0 FEADMM O=C([O-])c1cc(N2CCCC2)ccc1NS(=O)(=O)c1cncc(F)c1 ZINC000541795532 673556782 /nfs/dbraw/zinc/55/67/82/673556782.db2.gz DAZFECXKPCDFNU-UHFFFAOYSA-N -1 1 365.386 2.320 20 0 FEADMM O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc(Br)c([O-])c1 ZINC000542097125 673561423 /nfs/dbraw/zinc/56/14/23/673561423.db2.gz AUBUXXGBOOLEDD-CYBMUJFWSA-N -1 1 361.195 2.300 20 0 FEADMM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000598477835 673573811 /nfs/dbraw/zinc/57/38/11/673573811.db2.gz BSPMAFNYHZZBHL-HWPZZCPQSA-N -1 1 353.444 2.064 20 0 FEADMM Cc1ccc(CSCCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000738283219 673615212 /nfs/dbraw/zinc/61/52/12/673615212.db2.gz WHXJKIYCPWMATE-MRXNPFEDSA-N -1 1 350.484 2.141 20 0 FEADMM CCC(CC)(C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OC ZINC000599318991 673658162 /nfs/dbraw/zinc/65/81/62/673658162.db2.gz YIBGDIJHQLAVLP-UHFFFAOYSA-N -1 1 365.398 2.235 20 0 FEADMM COc1cc(NC(=O)c2cccc3c2OCO3)ccc1[N-]S(C)(=O)=O ZINC000614267642 676167525 /nfs/dbraw/zinc/16/75/25/676167525.db2.gz SOTBOKNRFPFSIJ-UHFFFAOYSA-N -1 1 364.379 2.048 20 0 FEADMM COc1ccc(NC(=O)c2ccc(C)c(O)c2)cc1[N-]S(C)(=O)=O ZINC000543710446 673664988 /nfs/dbraw/zinc/66/49/88/673664988.db2.gz AXHWCVKCVZXPGY-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000742634443 673732996 /nfs/dbraw/zinc/73/29/96/673732996.db2.gz BFHYOAXKGWZOCK-LLVKDONJSA-N -1 1 357.863 2.382 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@H]2CCO[C@H](C)C2)no1 ZINC000545096824 673744838 /nfs/dbraw/zinc/74/48/38/673744838.db2.gz DQWHZYPJMDFDTG-MXWKQRLJSA-N -1 1 357.457 2.453 20 0 FEADMM O=C(NCc1nn[n-]n1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000600500282 673774634 /nfs/dbraw/zinc/77/46/34/673774634.db2.gz BEQAHXFRRANFAN-OAHLLOKOSA-N -1 1 361.764 2.429 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCCC[C@@H]1C ZINC000744565380 673801420 /nfs/dbraw/zinc/80/14/20/673801420.db2.gz ZSZNHPVMMMIJIW-ZDUSSCGKSA-N -1 1 368.455 2.006 20 0 FEADMM Cc1ccccc1[C@H](C)c1noc(C[N-]S(=O)(=O)CCOC(C)C)n1 ZINC000546548181 673802480 /nfs/dbraw/zinc/80/24/80/673802480.db2.gz WJZJAQMACJOSJT-AWEZNQCLSA-N -1 1 367.471 2.374 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Br)o1 ZINC000546779790 673818054 /nfs/dbraw/zinc/81/80/54/673818054.db2.gz KPETWJKOHSQGCZ-XXILOJSOSA-N -1 1 362.245 2.278 20 0 FEADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000546872450 673824079 /nfs/dbraw/zinc/82/40/79/673824079.db2.gz RTBUXQDQLZPXQZ-PELKAZGASA-N -1 1 363.195 2.134 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1 ZINC000547271710 673838909 /nfs/dbraw/zinc/83/89/09/673838909.db2.gz WDCUJHGCJJCWMN-UHFFFAOYSA-N -1 1 353.444 2.434 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)C[C@@H]2CCC2(F)F)Cc2ccccc2C1 ZINC000601328506 673843465 /nfs/dbraw/zinc/84/34/65/673843465.db2.gz RRXMCNCDSKABSK-AWEZNQCLSA-N -1 1 373.421 2.052 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)CCC(C)(F)F)CCc2ccccc21 ZINC000601345815 673846056 /nfs/dbraw/zinc/84/60/56/673846056.db2.gz HNUUWOHEAQNDIG-MRXNPFEDSA-N -1 1 361.410 2.356 20 0 FEADMM CCOC(=O)C1(Cc2nc(-c3ccc([O-])c(F)c3)no2)CCOCC1 ZINC000601373399 673850470 /nfs/dbraw/zinc/85/04/70/673850470.db2.gz SRUZNTRZTRZKRX-UHFFFAOYSA-N -1 1 350.346 2.484 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C)c1ccc(OC)cc1OC ZINC000547439032 673850574 /nfs/dbraw/zinc/85/05/74/673850574.db2.gz VNWGVDKONNODJD-OAHLLOKOSA-N -1 1 373.471 2.274 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C)c1ccc(OC)cc1OC ZINC000547439031 673850592 /nfs/dbraw/zinc/85/05/92/673850592.db2.gz VNWGVDKONNODJD-HNNXBMFYSA-N -1 1 373.471 2.274 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3-n3cccn3)ccc2N1 ZINC000614792171 676191523 /nfs/dbraw/zinc/19/15/23/676191523.db2.gz FRADXYZBMAUTJT-UHFFFAOYSA-N -1 1 354.391 2.168 20 0 FEADMM O=S(=O)([N-]Cc1nccn1C(F)F)c1cnc(Cl)c(Cl)c1 ZINC000746400519 673876022 /nfs/dbraw/zinc/87/60/22/673876022.db2.gz JQVDSFXYDUMGLN-UHFFFAOYSA-N -1 1 357.169 2.459 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000614848906 676193860 /nfs/dbraw/zinc/19/38/60/676193860.db2.gz SALSKRNRURUQSV-UHFFFAOYSA-N -1 1 362.407 2.007 20 0 FEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCOCC(F)F)CC2 ZINC000566361669 675208023 /nfs/dbraw/zinc/20/80/23/675208023.db2.gz JSIAQLWTOGHJCD-ZDUSSCGKSA-N -1 1 359.369 2.359 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000615055414 676200551 /nfs/dbraw/zinc/20/05/51/676200551.db2.gz YFJFRTSYVJTKNN-VIKVFOODSA-N -1 1 352.456 2.455 20 0 FEADMM CN(CCC(=O)[O-])CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000818462970 675220111 /nfs/dbraw/zinc/22/01/11/675220111.db2.gz FYWWYPBIZXRQAK-UHFFFAOYSA-N -1 1 361.423 2.345 20 0 FEADMM C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000566895048 675251148 /nfs/dbraw/zinc/25/11/48/675251148.db2.gz JSFDVIYLIVQJIH-ZDUSSCGKSA-N -1 1 362.455 2.037 20 0 FEADMM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)CS2 ZINC000567942050 675337837 /nfs/dbraw/zinc/33/78/37/675337837.db2.gz DXBQLYOMLSSSAM-SUMWQHHRSA-N -1 1 358.423 2.175 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)C2CC2)c2ccccc2)co1 ZINC000820462736 675363960 /nfs/dbraw/zinc/36/39/60/675363960.db2.gz KQWJHVSDEKPRTL-MRXNPFEDSA-N -1 1 363.391 2.065 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2cn(C)nc2C(F)F)c1 ZINC000821177427 675420129 /nfs/dbraw/zinc/42/01/29/675420129.db2.gz GBVQWQITYNUQAO-DEOSSOPVSA-N -1 1 358.366 2.217 20 0 FEADMM COc1ccccc1[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821882565 675458398 /nfs/dbraw/zinc/45/83/98/675458398.db2.gz DVHGFQZVPJBJBU-MRVPVSSYSA-N -1 1 352.807 2.131 20 0 FEADMM COc1ccccc1[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821882565 675458404 /nfs/dbraw/zinc/45/84/04/675458404.db2.gz DVHGFQZVPJBJBU-MRVPVSSYSA-N -1 1 352.807 2.131 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1ncccc1Br)c1ccccn1 ZINC000656999803 677907194 /nfs/dbraw/zinc/90/71/94/677907194.db2.gz UABWYEQDVBQCAB-UHFFFAOYSA-N -1 1 370.272 2.495 20 0 FEADMM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ncccc1Br ZINC000657057983 677927617 /nfs/dbraw/zinc/92/76/17/677927617.db2.gz LHAMGOFXEFDKLP-LLVKDONJSA-N -1 1 363.277 2.328 20 0 FEADMM C[C@H]1CCN(C(=O)NOCC2CCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000824100019 675584074 /nfs/dbraw/zinc/58/40/74/675584074.db2.gz VDNMZTMLZIISTL-NHCYSSNCSA-N -1 1 351.369 2.205 20 0 FEADMM CC(C)COC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000824266883 675592509 /nfs/dbraw/zinc/59/25/09/675592509.db2.gz SAUFRKCEOHIEEE-UHFFFAOYSA-N -1 1 361.789 2.034 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825218776 675642314 /nfs/dbraw/zinc/64/23/14/675642314.db2.gz FKJBISVGWAPUOV-LBPRGKRZSA-N -1 1 358.427 2.303 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825218776 675642317 /nfs/dbraw/zinc/64/23/17/675642317.db2.gz FKJBISVGWAPUOV-LBPRGKRZSA-N -1 1 358.427 2.303 20 0 FEADMM CCOC(=O)c1cnn(Cc2nc(C(C)(C)C)cs2)c1-c1nn[n-]n1 ZINC000825571289 675659247 /nfs/dbraw/zinc/65/92/47/675659247.db2.gz XHCLUYNBJCCJBC-UHFFFAOYSA-N -1 1 361.431 2.042 20 0 FEADMM CS[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000826226188 675684527 /nfs/dbraw/zinc/68/45/27/675684527.db2.gz UGRSCNACSRBVPS-LBPRGKRZSA-N -1 1 373.479 2.062 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cccc1N(C)C ZINC000826243008 675685334 /nfs/dbraw/zinc/68/53/34/675685334.db2.gz PTHURPLOFDRDNR-UHFFFAOYSA-N -1 1 358.427 2.042 20 0 FEADMM COc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O ZINC000827352699 675750393 /nfs/dbraw/zinc/75/03/93/675750393.db2.gz NQDZIQOEHSIWGU-JTQLQIEISA-N -1 1 366.286 2.066 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000827375515 675751880 /nfs/dbraw/zinc/75/18/80/675751880.db2.gz YFKIHVOCWIYBCB-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM C[C@H]1SCC[C@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000827649535 675770720 /nfs/dbraw/zinc/77/07/20/675770720.db2.gz JFSMEMGYUQTRAN-HGCLJGPKSA-N -1 1 367.437 2.367 20 0 FEADMM Cn1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1C=O ZINC000827944073 675788215 /nfs/dbraw/zinc/78/82/15/675788215.db2.gz VRZYMPOABBVNJU-UHFFFAOYSA-N -1 1 361.829 2.155 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000828011606 675792008 /nfs/dbraw/zinc/79/20/08/675792008.db2.gz MXCUGKMYDBIVOS-HUUCEWRRSA-N -1 1 357.472 2.271 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)o1 ZINC000605376116 675812093 /nfs/dbraw/zinc/81/20/93/675812093.db2.gz IAOXPESYHOLKMC-UHFFFAOYSA-N -1 1 362.411 2.371 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)ccc1C ZINC000605495941 675816090 /nfs/dbraw/zinc/81/60/90/675816090.db2.gz HDOGDBYDFBYPBL-UHFFFAOYSA-N -1 1 362.411 2.245 20 0 FEADMM O=C(NCC1(O)CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000607036946 675850875 /nfs/dbraw/zinc/85/08/75/675850875.db2.gz AHAPMODNLKENDJ-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000608342203 675889152 /nfs/dbraw/zinc/88/91/52/675889152.db2.gz XEDRJLHVIPIPGL-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM COCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000617266705 676277914 /nfs/dbraw/zinc/27/79/14/676277914.db2.gz BDIOTIJNXCBFNN-UHFFFAOYSA-N -1 1 366.414 2.345 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H](Cn3ccnn3)C2)cc(Cl)c1[O-] ZINC000617267831 676278147 /nfs/dbraw/zinc/27/81/47/676278147.db2.gz XGMXALHKTSEJQI-NSHDSACASA-N -1 1 350.806 2.198 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1ccc(-c2nc(C)c(C)o2)cc1 ZINC000677233574 679668546 /nfs/dbraw/zinc/66/85/46/679668546.db2.gz HIVGQLRZFTVFHH-UHFFFAOYSA-N -1 1 354.428 2.363 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCc2nc(-c3cccs3)no2)[n-]1 ZINC000619864914 676397536 /nfs/dbraw/zinc/39/75/36/676397536.db2.gz GPHVYSADMMXIKO-UHFFFAOYSA-N -1 1 361.383 2.269 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCc2nc(-c3cccs3)no2)n1 ZINC000619864914 676397537 /nfs/dbraw/zinc/39/75/37/676397537.db2.gz GPHVYSADMMXIKO-UHFFFAOYSA-N -1 1 361.383 2.269 20 0 FEADMM C[C@@H](O)C1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000620071416 676405608 /nfs/dbraw/zinc/40/56/08/676405608.db2.gz LJKHHQBYQYUXNU-CYBMUJFWSA-N -1 1 360.435 2.131 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](CN2CCCC2=O)C1 ZINC000620255161 676411777 /nfs/dbraw/zinc/41/17/77/676411777.db2.gz ZSRKXTIBGMSPEE-NSHDSACASA-N -1 1 356.344 2.496 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc(Cl)c1[O-] ZINC000620404844 676416019 /nfs/dbraw/zinc/41/60/19/676416019.db2.gz GQJVTIOGAGLKIG-LLVKDONJSA-N -1 1 354.834 2.431 20 0 FEADMM Cc1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1Br ZINC000677427465 679680432 /nfs/dbraw/zinc/68/04/32/679680432.db2.gz MWIMGULOPSFHKJ-UHFFFAOYSA-N -1 1 350.220 2.470 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC3CCN(CC(F)F)CC3)c[n-]c2n1 ZINC000622409525 676500559 /nfs/dbraw/zinc/50/05/59/676500559.db2.gz IEFIAXUQAYLOMC-UHFFFAOYSA-N -1 1 350.369 2.103 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC3CCN(CC(F)F)CC3)cnc2n1 ZINC000622409525 676500562 /nfs/dbraw/zinc/50/05/62/676500562.db2.gz IEFIAXUQAYLOMC-UHFFFAOYSA-N -1 1 350.369 2.103 20 0 FEADMM CCCc1cc(C(=O)Nc2nc3nc(CC)cc(=O)n3[n-]2)ccc1Cl ZINC000622993535 676514500 /nfs/dbraw/zinc/51/45/00/676514500.db2.gz RRGJDHSMCSEDPF-UHFFFAOYSA-N -1 1 359.817 2.260 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)nc2n1 ZINC000622995907 676514885 /nfs/dbraw/zinc/51/48/85/676514885.db2.gz UFEBYCSGXHKQIF-SECBINFHSA-N -1 1 361.789 2.039 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C(F)(F)F ZINC000677661807 679691569 /nfs/dbraw/zinc/69/15/69/679691569.db2.gz YXWZSFFYDZQIMA-CYBMUJFWSA-N -1 1 364.345 2.074 20 0 FEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cccnc2OCC(F)F)on1 ZINC000624978200 676607676 /nfs/dbraw/zinc/60/76/76/676607676.db2.gz ORARAJSTMGKQET-UHFFFAOYSA-N -1 1 361.370 2.315 20 0 FEADMM NC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000625427731 676648357 /nfs/dbraw/zinc/64/83/57/676648357.db2.gz LYFZSLPNCCOAFN-KBTIHESUSA-N -1 1 357.646 2.189 20 0 FEADMM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000625518858 676653218 /nfs/dbraw/zinc/65/32/18/676653218.db2.gz ZNJCHWUTWXNNPP-SECBINFHSA-N -1 1 373.689 2.256 20 0 FEADMM O=S(=O)([N-][C@H]1CO[C@H](C2CC2)C1)c1sccc1Br ZINC000625584510 676659485 /nfs/dbraw/zinc/65/94/85/676659485.db2.gz WUXMFECPPUFMRQ-SCZZXKLOSA-N -1 1 352.275 2.356 20 0 FEADMM Cc1cc(C2([N-]S(=O)(=O)c3cccc(C)c3F)CCOCC2)on1 ZINC000625652611 676665282 /nfs/dbraw/zinc/66/52/82/676665282.db2.gz KSAWDMBIPXEWOE-UHFFFAOYSA-N -1 1 354.403 2.415 20 0 FEADMM CCO[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CC1 ZINC000626472517 676707542 /nfs/dbraw/zinc/70/75/42/676707542.db2.gz AAGGRQRSWSBYOF-STQMWFEESA-N -1 1 353.785 2.013 20 0 FEADMM COCCOCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000629328015 676846678 /nfs/dbraw/zinc/84/66/78/676846678.db2.gz KDGYSRMQITVINR-UHFFFAOYSA-N -1 1 365.407 2.379 20 0 FEADMM CCCOc1cncc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)c1 ZINC000629351846 676850703 /nfs/dbraw/zinc/85/07/03/676850703.db2.gz FGCADFMSPOEDHQ-INIZCTEOSA-N -1 1 358.460 2.054 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(C(F)(F)F)CCCC2)co1 ZINC000629465185 676856012 /nfs/dbraw/zinc/85/60/12/676856012.db2.gz KAQQUUADPFUKEO-UHFFFAOYSA-N -1 1 354.350 2.040 20 0 FEADMM O=C(N[C@H]1CCN(C2CCC2)C1=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000629922720 676875722 /nfs/dbraw/zinc/87/57/22/676875722.db2.gz VPVWOPUBZRBQKM-AWEZNQCLSA-N -1 1 359.813 2.477 20 0 FEADMM Cc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000630221616 676887770 /nfs/dbraw/zinc/88/77/70/676887770.db2.gz ADCMBCIAQNFIOD-GFCCVEGCSA-N -1 1 369.259 2.379 20 0 FEADMM Cc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1Br ZINC000630223783 676887978 /nfs/dbraw/zinc/88/79/78/676887978.db2.gz MFJPTROWYPPLSB-UHFFFAOYSA-N -1 1 369.259 2.379 20 0 FEADMM O=C(CCc1nn[n-]n1)N(Cc1csc(Br)c1)C1CC1 ZINC000632064167 676973821 /nfs/dbraw/zinc/97/38/21/676973821.db2.gz HWFTUQXMZRJDLQ-UHFFFAOYSA-N -1 1 356.249 2.148 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1c[nH]nc1C(F)(F)F ZINC000632140699 676978143 /nfs/dbraw/zinc/97/81/43/676978143.db2.gz GODVOEOBSJYEPV-UISBYWKRSA-N -1 1 365.377 2.055 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000632141126 676978147 /nfs/dbraw/zinc/97/81/47/676978147.db2.gz KVBJEFRDFMTFOK-WQVCFCJDSA-N -1 1 353.440 2.027 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cscc1Br)C(F)(F)F ZINC000632155144 676978865 /nfs/dbraw/zinc/97/88/65/676978865.db2.gz PZPOFPPWDXGEGT-SSDOTTSWSA-N -1 1 368.196 2.102 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1cscc1Br)C(F)(F)F ZINC000632155145 676978917 /nfs/dbraw/zinc/97/89/17/676978917.db2.gz PZPOFPPWDXGEGT-ZETCQYMHSA-N -1 1 368.196 2.102 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc(CN2CCOCC2)n1 ZINC000632243398 676983522 /nfs/dbraw/zinc/98/35/22/676983522.db2.gz OPTGHDDCKPXHQD-UHFFFAOYSA-N -1 1 361.829 2.454 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000632269956 676984710 /nfs/dbraw/zinc/98/47/10/676984710.db2.gz WTYHACHWPVTHDK-ZDUSSCGKSA-N -1 1 365.455 2.014 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)sn1 ZINC000632276417 676985065 /nfs/dbraw/zinc/98/50/65/676985065.db2.gz JNBBWDJRVQFGBY-DZGCQCFKSA-N -1 1 356.444 2.035 20 0 FEADMM C[C@H]1CC(CC[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C[C@H](C)O1 ZINC000632314050 676987461 /nfs/dbraw/zinc/98/74/61/676987461.db2.gz QQSATBMFVUYAJO-IUCAKERBSA-N -1 1 355.382 2.301 20 0 FEADMM CCc1nnc(C[N-]S(=O)(=O)c2cscc2Br)s1 ZINC000632348678 676989617 /nfs/dbraw/zinc/98/96/17/676989617.db2.gz LECJFMGOANNNKS-UHFFFAOYSA-N -1 1 368.303 2.403 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)C1(CO)CCOCC1)c1ccc(C(F)F)o1 ZINC000632373471 676990770 /nfs/dbraw/zinc/99/07/70/676990770.db2.gz XZCIVVKZCVLITO-CYBMUJFWSA-N -1 1 365.398 2.063 20 0 FEADMM CCc1ncc(C[N-]S(=O)(=O)Cc2ncsc2Br)o1 ZINC000632418899 676992988 /nfs/dbraw/zinc/99/29/88/676992988.db2.gz QUZGDYAOSCVYKY-UHFFFAOYSA-N -1 1 366.262 2.076 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)no1 ZINC000632480096 676996906 /nfs/dbraw/zinc/99/69/06/676996906.db2.gz OOVDTPZUTYSGAX-RKDXNWHRSA-N -1 1 359.370 2.130 20 0 FEADMM Cn1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(C(F)F)o3)CCO2)cn1 ZINC000632531234 677000123 /nfs/dbraw/zinc/00/01/23/677000123.db2.gz DQSGAQASHYMBGA-ZYHUDNBSSA-N -1 1 361.370 2.149 20 0 FEADMM Cn1cc([C@@H]2C[C@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)CCO2)cn1 ZINC000632531776 677000242 /nfs/dbraw/zinc/00/02/42/677000242.db2.gz OCNYUEYTSVBAAI-RISCZKNCSA-N -1 1 373.837 2.411 20 0 FEADMM COC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ncco2)CCC1 ZINC000632539510 677000898 /nfs/dbraw/zinc/00/08/98/677000898.db2.gz JEVAVRHHMBQYTQ-HNNXBMFYSA-N -1 1 350.440 2.447 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cscc1Br)[C@H](O)C(F)(F)F ZINC000632677134 677009905 /nfs/dbraw/zinc/00/99/05/677009905.db2.gz UQDPVXJMDYMKJC-FFWSUHOLSA-N -1 1 368.196 2.101 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NCC2([C@H]3CCCCO3)CCC2)c1 ZINC000632684569 677010392 /nfs/dbraw/zinc/01/03/92/677010392.db2.gz HUMDSQPKNPLAPS-MRXNPFEDSA-N -1 1 355.456 2.419 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1c[nH]nc1Cl ZINC000829967565 677019511 /nfs/dbraw/zinc/01/95/11/677019511.db2.gz NKGQLRHUHNPOBO-UHFFFAOYSA-N -1 1 356.835 2.258 20 0 FEADMM CCOc1ccc2nc(NC(=O)CN3C[C@@H](C)[C@H](C(=O)[O-])C3)sc2c1 ZINC000830094509 677024837 /nfs/dbraw/zinc/02/48/37/677024837.db2.gz JQKCIMLVJQFOKI-ZYHUDNBSSA-N -1 1 363.439 2.286 20 0 FEADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cnn(-c2ccc(F)cc2)n1 ZINC000830425119 677038778 /nfs/dbraw/zinc/03/87/78/677038778.db2.gz PNZOIOUUNLEGAJ-GFCCVEGCSA-N -1 1 360.374 2.362 20 0 FEADMM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)CCc1nn[n-]n1 ZINC000633693291 677060858 /nfs/dbraw/zinc/06/08/58/677060858.db2.gz ZVPMJMILDGEYFM-ZYHUDNBSSA-N -1 1 364.247 2.299 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000830802560 677061726 /nfs/dbraw/zinc/06/17/26/677061726.db2.gz XDIQCJLVLMOJJQ-LRDDRELGSA-N -1 1 355.360 2.171 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3COC3)cc2)cc1C ZINC000634251699 677073477 /nfs/dbraw/zinc/07/34/77/677073477.db2.gz KZOOXJDLQFHRJX-UHFFFAOYSA-N -1 1 360.435 2.233 20 0 FEADMM C[C@@H]1CCc2[n-]n(-c3ccc(S(=O)(=O)NC4CCCC4)cn3)c(=O)c21 ZINC000634588678 677077795 /nfs/dbraw/zinc/07/77/95/677077795.db2.gz BFRVBHKHTMLRSL-BZNIZROVSA-N -1 1 362.455 2.051 20 0 FEADMM COC1(CS(=O)(=O)[N-]c2ccccc2-n2nc(C)nc2C)CCC1 ZINC000634789705 677082425 /nfs/dbraw/zinc/08/24/25/677082425.db2.gz ACQRGBXRHQVTJA-UHFFFAOYSA-N -1 1 350.444 2.195 20 0 FEADMM Cc1sccc1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000634795726 677083062 /nfs/dbraw/zinc/08/30/62/677083062.db2.gz LDPCAIXMKLKVNP-UHFFFAOYSA-N -1 1 372.493 2.397 20 0 FEADMM CCN(Cc1ccccc1Br)C(=O)CCCc1nn[n-]n1 ZINC000635231907 677093282 /nfs/dbraw/zinc/09/32/82/677093282.db2.gz FLKYMFXRAKJPSH-UHFFFAOYSA-N -1 1 352.236 2.334 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635722303 677105220 /nfs/dbraw/zinc/10/52/20/677105220.db2.gz VMDNJPUSNNIMNN-SFYZADRCSA-N -1 1 357.737 2.207 20 0 FEADMM CN(Cc1ccc(F)cc1Br)C(=O)CCCc1nn[n-]n1 ZINC000635848751 677108302 /nfs/dbraw/zinc/10/83/02/677108302.db2.gz QXKBULJCCALYEE-UHFFFAOYSA-N -1 1 356.199 2.083 20 0 FEADMM COc1ccc(NC(=O)NC2(C(F)(F)F)CC2)cc1[N-]S(C)(=O)=O ZINC000639727122 677164669 /nfs/dbraw/zinc/16/46/69/677164669.db2.gz JTTYRWOEAJJWKB-UHFFFAOYSA-N -1 1 367.349 2.283 20 0 FEADMM CSc1nc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cc(=O)[n-]1 ZINC000640658479 677185384 /nfs/dbraw/zinc/18/53/84/677185384.db2.gz QCHUGKJOZFXJNA-NSHDSACASA-N -1 1 359.451 2.477 20 0 FEADMM C[C@@H]1COCC[C@H]1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000641339385 677201755 /nfs/dbraw/zinc/20/17/55/677201755.db2.gz QCONGSSKJKQYFA-CXAGYDPISA-N -1 1 367.467 2.042 20 0 FEADMM C[C@H]1COCC[C@@H]1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000641339616 677201790 /nfs/dbraw/zinc/20/17/90/677201790.db2.gz QCONGSSKJKQYFA-GUYCJALGSA-N -1 1 367.467 2.042 20 0 FEADMM COC1(CS(=O)(=O)[N-]c2nn(CC(F)(F)F)cc2Cl)CCC1 ZINC000641692570 677214168 /nfs/dbraw/zinc/21/41/68/677214168.db2.gz PAIGQADAEKLGFJ-UHFFFAOYSA-N -1 1 361.773 2.410 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000642990876 677222650 /nfs/dbraw/zinc/22/26/50/677222650.db2.gz JITOFUJPKWYCDZ-DOMZBBRYSA-N -1 1 352.456 2.477 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)c(C(F)(F)F)n1 ZINC000645080141 677253192 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O=C(CCc1cncs1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000645984758 677276373 /nfs/dbraw/zinc/27/63/73/677276373.db2.gz BEAOOTJGCGCTAR-ZDUSSCGKSA-N -1 1 366.809 2.287 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2cccnc2)o1 ZINC000646061512 677278304 /nfs/dbraw/zinc/27/83/04/677278304.db2.gz SSEHZXINLQHXFL-OLZOCXBDSA-N -1 1 363.439 2.037 20 0 FEADMM COc1ncc(S(=O)(=O)[N-]c2ccc(OCCO)c(C)c2)cc1Cl ZINC000647129854 677295872 /nfs/dbraw/zinc/29/58/72/677295872.db2.gz FOCAJRZVYCYCSL-UHFFFAOYSA-N -1 1 372.830 2.224 20 0 FEADMM CC(C)C[C@@H](N)c1noc(C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000647132440 677296040 /nfs/dbraw/zinc/29/60/40/677296040.db2.gz YUGCCMFLWBBKBN-MRVPVSSYSA-N -1 1 364.880 2.309 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647372345 677300792 /nfs/dbraw/zinc/30/07/92/677300792.db2.gz KHKUMEBWKYQDEC-LBPRGKRZSA-N -1 1 350.415 2.218 20 0 FEADMM CC(C)(CF)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000648864608 677321909 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Cn1c(=O)ccc2c1CCC[C@H]2[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000651942686 677464163 /nfs/dbraw/zinc/46/41/63/677464163.db2.gz PFPAFUGEEBMXLO-LLVKDONJSA-N -1 1 372.368 2.159 20 0 FEADMM O=S(=O)([N-][C@H]1CNc2ccccc2C1)c1ncccc1C(F)(F)F ZINC000652380237 677484884 /nfs/dbraw/zinc/48/48/84/677484884.db2.gz KPBIDYVETJYMFA-LLVKDONJSA-N -1 1 357.357 2.416 20 0 FEADMM CS(=O)(=O)c1cccc(OCCN2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000652496169 677491455 /nfs/dbraw/zinc/49/14/55/677491455.db2.gz MOYLRXDORDFFBC-AWEZNQCLSA-N -1 1 355.456 2.046 20 0 FEADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C12CCCCC2 ZINC000761213977 680715244 /nfs/dbraw/zinc/71/52/44/680715244.db2.gz FHEXULSZIJVBPA-KBPBESRZSA-N -1 1 371.455 2.472 20 0 FEADMM COc1cc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000655243022 677632786 /nfs/dbraw/zinc/63/27/86/677632786.db2.gz MLKGMVQWAYBWOJ-UTUOFQBUSA-N -1 1 356.850 2.282 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)o1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000655397840 677640118 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N[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000763039880 680769774 /nfs/dbraw/zinc/76/97/74/680769774.db2.gz GDMFVAJYUOPQNE-IINYFYTJSA-N -1 1 355.232 2.162 20 0 FEADMM Cc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(Br)n1 ZINC000763977098 680797103 /nfs/dbraw/zinc/79/71/03/680797103.db2.gz KGYOPHCLCHJTFK-LBPRGKRZSA-N -1 1 373.214 2.185 20 0 FEADMM CN(C)C(=O)OC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000840090950 680797577 /nfs/dbraw/zinc/79/75/77/680797577.db2.gz OYMVSQZHQSERJQ-UHFFFAOYSA-N -1 1 362.459 2.123 20 0 FEADMM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000663045612 678682928 /nfs/dbraw/zinc/68/29/28/678682928.db2.gz IWWDTCPVOBULQY-ZLENFMNRSA-N -1 1 372.824 2.078 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1 ZINC000764551098 680814292 /nfs/dbraw/zinc/81/42/92/680814292.db2.gz RCCGNLFOGHZFRZ-UHFFFAOYSA-N -1 1 370.814 2.396 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccco1 ZINC000665303167 678951355 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Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)sc1-c1ccccc1 ZINC000847473507 681383451 /nfs/dbraw/zinc/38/34/51/681383451.db2.gz YGFJXAQILCRIFQ-CYBMUJFWSA-N -1 1 355.423 2.450 20 0 FEADMM CCC[C@H](NC(=O)c1cnc(Cl)c(Br)c1)c1nn[n-]n1 ZINC000847554343 681395481 /nfs/dbraw/zinc/39/54/81/681395481.db2.gz RCVNXQTTWQOEMY-QMMMGPOBSA-N -1 1 359.615 2.282 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCCc2ccc(F)cc2)CCC1 ZINC000847735112 681425008 /nfs/dbraw/zinc/42/50/08/681425008.db2.gz NGIZQSLLNNRJFF-UHFFFAOYSA-N -1 1 356.463 2.079 20 0 FEADMM C[C@@H]1C(=O)N([N-]C(=O)C(F)=Cc2ccc(C(F)(F)F)cc2)C(=O)N1C ZINC000912819430 685447504 /nfs/dbraw/zinc/44/75/04/685447504.db2.gz RPMMYVJKRKZUOG-XAPLUZPNSA-N -1 1 359.279 2.330 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc(Cl)c1[O-] ZINC000848367144 681530718 /nfs/dbraw/zinc/53/07/18/681530718.db2.gz CCTDHHJHVPTKSM-NSHDSACASA-N -1 1 354.790 2.157 20 0 FEADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000777798869 681531839 /nfs/dbraw/zinc/53/18/39/681531839.db2.gz FKMHRRNRYBJQBM-SNVBAGLBSA-N -1 1 352.387 2.394 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCc2cccnc21 ZINC000848391220 681533890 /nfs/dbraw/zinc/53/38/90/681533890.db2.gz ABWIPNBIUBCOCL-KGYLQXTDSA-N -1 1 355.360 2.169 20 0 FEADMM CCCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934283559 681545280 /nfs/dbraw/zinc/54/52/80/681545280.db2.gz XOYSQDAIPKJLJF-ZIAGYGMSSA-N -1 1 350.463 2.413 20 0 FEADMM CCn1c(CC2CC2)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848466525 681555377 /nfs/dbraw/zinc/55/53/77/681555377.db2.gz DSOIUTFPHLCYEK-ZYHUDNBSSA-N -1 1 359.396 2.286 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cn1c(=O)oc2ccccc21 ZINC000848501142 681562783 /nfs/dbraw/zinc/56/27/83/681562783.db2.gz FFGKQSVZNIHFOA-GHMZBOCLSA-N -1 1 357.332 2.083 20 0 FEADMM C[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000948917284 681605289 /nfs/dbraw/zinc/60/52/89/681605289.db2.gz CPEZJIXXBVRPBD-TZMCWYRMSA-N -1 1 359.451 2.058 20 0 FEADMM CSCC[C@H](NC(=O)Cc1ccccc1Br)c1nn[n-]n1 ZINC000912860396 685458254 /nfs/dbraw/zinc/45/82/54/685458254.db2.gz ODEZGVNEBXVVNM-NSHDSACASA-N -1 1 370.276 2.115 20 0 FEADMM Cc1scc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)c1C ZINC000949346941 681632706 /nfs/dbraw/zinc/63/27/06/681632706.db2.gz GFTXCAYEMMHTGJ-QMTHXVAHSA-N -1 1 359.451 2.356 20 0 FEADMM CSCC[C@H](NC(=O)c1nc(Cl)sc1Cl)c1nn[n-]n1 ZINC000912863202 685461436 /nfs/dbraw/zinc/46/14/36/685461436.db2.gz OPEXFDGIIREUPI-BYPYZUCNSA-N -1 1 353.260 2.187 20 0 FEADMM CSCC[C@H](NC(=O)c1cc2cccc(F)c2nc1C)c1nn[n-]n1 ZINC000912863212 685461627 /nfs/dbraw/zinc/46/16/27/685461627.db2.gz OWMMDWLLPOGCLB-ZDUSSCGKSA-N -1 1 360.418 2.420 20 0 FEADMM CSCC[C@H](NC(=O)[C@H](c1ccncc1)C1CCCC1)c1nn[n-]n1 ZINC000912863379 685462158 /nfs/dbraw/zinc/46/21/58/685462158.db2.gz WAXRXXFYKQDTHY-GJZGRUSLSA-N -1 1 360.487 2.479 20 0 FEADMM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000849378380 681703162 /nfs/dbraw/zinc/70/31/62/681703162.db2.gz FNKYCRGKNHKGNI-JKSUJKDBSA-N -1 1 361.504 2.233 20 0 FEADMM CCOc1cc(C(=O)N2CCc3c(=O)[nH]n(C)c3C2)cc(Cl)c1[O-] ZINC000913037680 685469938 /nfs/dbraw/zinc/46/99/38/685469938.db2.gz SWVPANMTVLCTNK-UHFFFAOYSA-N -1 1 351.790 2.082 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000935231135 681713959 /nfs/dbraw/zinc/71/39/59/681713959.db2.gz BEGQGZTXBPEUQR-WFASDCNBSA-N -1 1 356.419 2.483 20 0 FEADMM Cc1cc(C)n(CCCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000935232667 681714449 /nfs/dbraw/zinc/71/44/49/681714449.db2.gz SDLQUAJRBIJQOT-UHFFFAOYSA-N -1 1 368.434 2.429 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C1 ZINC000849436858 681733845 /nfs/dbraw/zinc/73/38/45/681733845.db2.gz VEFGWGOLQQDDFP-KYZUINATSA-N -1 1 365.810 2.112 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000935415670 681746511 /nfs/dbraw/zinc/74/65/11/681746511.db2.gz DEGBXIAMZOUETE-CYNQGUNLSA-N -1 1 361.808 2.490 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2cnn(C(C)(C)C)c2)c1 ZINC000849812254 681806892 /nfs/dbraw/zinc/80/68/92/681806892.db2.gz VLOXOWKWQKFHDU-XMMPIXPASA-N -1 1 350.440 2.498 20 0 FEADMM O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744126 685483995 /nfs/dbraw/zinc/48/39/95/685483995.db2.gz BCZMALDTFKYITD-ZDUSSCGKSA-N -1 1 370.240 2.336 20 0 FEADMM Cc1c(Br)ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)c1F ZINC000913745096 685484163 /nfs/dbraw/zinc/48/41/63/685484163.db2.gz ODLVAKRWBZOZQK-UHFFFAOYSA-N -1 1 368.210 2.430 20 0 FEADMM CCSc1ccccc1CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000913781217 685485078 /nfs/dbraw/zinc/48/50/78/685485078.db2.gz GEGAHPYWKCOCGJ-UHFFFAOYSA-N -1 1 360.401 2.478 20 0 FEADMM C[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000780568062 681843625 /nfs/dbraw/zinc/84/36/25/681843625.db2.gz DOAPEAJSGVCCSX-LBPRGKRZSA-N -1 1 353.850 2.324 20 0 FEADMM COCC[C@H](C)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914031729 685492461 /nfs/dbraw/zinc/49/24/61/685492461.db2.gz GZQJABWIHIUZEG-QMMMGPOBSA-N -1 1 370.240 2.300 20 0 FEADMM Cc1nscc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000781273281 681916555 /nfs/dbraw/zinc/91/65/55/681916555.db2.gz MZXKNQCSHJUOAE-UHFFFAOYSA-N -1 1 370.333 2.166 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000958785658 681966982 /nfs/dbraw/zinc/96/69/82/681966982.db2.gz NXEFCPVTXPTSBI-BXUZGUMPSA-N -1 1 359.813 2.331 20 0 FEADMM CC[C@H](O)CC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914256047 685501085 /nfs/dbraw/zinc/50/10/85/685501085.db2.gz GBTDJPPIURKLJR-QMMMGPOBSA-N -1 1 370.240 2.036 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ccccc1Cl ZINC000940056080 682023651 /nfs/dbraw/zinc/02/36/51/682023651.db2.gz ILPMZUPHAABSNL-BXUZGUMPSA-N -1 1 359.813 2.331 20 0 FEADMM CC/C=C/[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OC ZINC000851330309 682053361 /nfs/dbraw/zinc/05/33/61/682053361.db2.gz GCIGVVGPDKKRFF-NNNHXZLVSA-N -1 1 354.428 2.196 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000940401709 682053823 /nfs/dbraw/zinc/05/38/23/682053823.db2.gz HQGJYDJVEBBJIU-NXEZZACHSA-N -1 1 365.842 2.393 20 0 FEADMM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851468349 682070223 /nfs/dbraw/zinc/07/02/23/682070223.db2.gz KOHPFKVNKUWYDU-CYBMUJFWSA-N -1 1 358.360 2.261 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCCc3nc(C)sc32)cc1C ZINC000851777809 682131348 /nfs/dbraw/zinc/13/13/48/682131348.db2.gz AACRDLAPOACRBF-NSHDSACASA-N -1 1 370.452 2.495 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](O)c2cc(C)cc(C)c2)cc1C ZINC000851788479 682135664 /nfs/dbraw/zinc/13/56/64/682135664.db2.gz UJAKYNHSHRWHJL-CQSZACIVSA-N -1 1 367.423 2.003 20 0 FEADMM CO[C@]1(C(F)(F)F)CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000916146600 685521966 /nfs/dbraw/zinc/52/19/66/685521966.db2.gz XAPALCWNRYFKOR-GFCCVEGCSA-N -1 1 351.350 2.006 20 0 FEADMM O=C([N-][C@@H]1CN(C(=O)NC2CC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC000851906945 682183384 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FEADMM COc1ccc(NC(=O)c2c(C)noc2C2CC2)cc1[N-]S(C)(=O)=O ZINC000785139207 682276486 /nfs/dbraw/zinc/27/64/86/682276486.db2.gz ITVDTGLLWHIZES-UHFFFAOYSA-N -1 1 365.411 2.493 20 0 FEADMM CCc1nnc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000785163479 682277836 /nfs/dbraw/zinc/27/78/36/682277836.db2.gz FKHBWDVDQJHOEA-UHFFFAOYSA-N -1 1 373.456 2.127 20 0 FEADMM CC(C)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852520498 682294695 /nfs/dbraw/zinc/29/46/95/682294695.db2.gz IUMAPAZHTUSYBN-RYUDHWBXSA-N -1 1 352.397 2.496 20 0 FEADMM C[C@]1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1(F)F ZINC000852582108 682304306 /nfs/dbraw/zinc/30/43/06/682304306.db2.gz PPIZOCANGCRTIS-BXKDBHETSA-N -1 1 357.323 2.132 20 0 FEADMM O=C([O-])[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)C[C@H]1c1ccccc1 ZINC000852729996 682327971 /nfs/dbraw/zinc/32/79/71/682327971.db2.gz NBUBSTBTMLYPOF-LSDHHAIUSA-N -1 1 359.813 2.474 20 0 FEADMM Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733749 682329293 /nfs/dbraw/zinc/32/92/93/682329293.db2.gz YCFGSWZKTLGBQP-QWHCGFSZSA-N -1 1 362.323 2.230 20 0 FEADMM CCc1cccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852733782 682330264 /nfs/dbraw/zinc/33/02/64/682330264.db2.gz YZQGYQTXCVHEDG-UONOGXRCSA-N -1 1 358.360 2.345 20 0 FEADMM Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852736959 682332876 /nfs/dbraw/zinc/33/28/76/682332876.db2.gz PRBOPDPFJYYBHG-ZIAGYGMSSA-N -1 1 358.360 2.400 20 0 FEADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000852737423 682333634 /nfs/dbraw/zinc/33/36/34/682333634.db2.gz SNFVSYKTRPDRMZ-VXGBXAGGSA-N -1 1 366.286 2.061 20 0 FEADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000852737423 682333638 /nfs/dbraw/zinc/33/36/38/682333638.db2.gz SNFVSYKTRPDRMZ-VXGBXAGGSA-N -1 1 366.286 2.061 20 0 FEADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccccc1Cl ZINC000852738295 682333872 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O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1nc[nH]c1Br ZINC000866587906 684123516 /nfs/dbraw/zinc/12/35/16/684123516.db2.gz PWBCJUGYOLNSIY-JTQLQIEISA-N -1 1 360.208 2.277 20 0 FEADMM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)CCc1nn[n-]n1 ZINC000866592790 684124080 /nfs/dbraw/zinc/12/40/80/684124080.db2.gz XAQYRVURUIJXSY-GFCCVEGCSA-N -1 1 365.869 2.310 20 0 FEADMM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)CCc1nn[n-]n1 ZINC000866592792 684124172 /nfs/dbraw/zinc/12/41/72/684124172.db2.gz XAQYRVURUIJXSY-LBPRGKRZSA-N -1 1 365.869 2.310 20 0 FEADMM O=S(=O)(C[C@H]1CCC1(F)F)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000866617657 684126759 /nfs/dbraw/zinc/12/67/59/684126759.db2.gz NAXKSSQTBFIUOV-GFCCVEGCSA-N -1 1 357.382 2.125 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)c1C(F)(F)F ZINC000866759495 684146601 /nfs/dbraw/zinc/14/66/01/684146601.db2.gz BLIGPUOMIXWDLJ-GFCCVEGCSA-N -1 1 374.388 2.377 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1nc[nH]c1Br ZINC000866767261 684148510 /nfs/dbraw/zinc/14/85/10/684148510.db2.gz OAOAXISCBVUMAY-SNVBAGLBSA-N -1 1 356.245 2.181 20 0 FEADMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1 ZINC000866834941 684164363 /nfs/dbraw/zinc/16/43/63/684164363.db2.gz CXVIEMBJKFERDT-ZLOXQWCVSA-N -1 1 368.480 2.231 20 0 FEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@H](CCO)c1ccccc1)c1ccccc1 ZINC000866858555 684169127 /nfs/dbraw/zinc/16/91/27/684169127.db2.gz ITTWTYSSNXFJKE-WAIKUNEKSA-N -1 1 368.480 2.101 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)on1 ZINC000866859967 684169420 /nfs/dbraw/zinc/16/94/20/684169420.db2.gz SMRKNBNGJBVXSS-UHFFFAOYSA-N -1 1 358.832 2.374 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2Cl)sn1 ZINC000866861308 684169673 /nfs/dbraw/zinc/16/96/73/684169673.db2.gz LALCCYSWSONUII-JTQLQIEISA-N -1 1 350.824 2.256 20 0 FEADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000866923088 684181125 /nfs/dbraw/zinc/18/11/25/684181125.db2.gz HKRSPQJJNPLFOY-QMMMGPOBSA-N -1 1 350.824 2.256 20 0 FEADMM C[C@H](CCO)C1(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CCC1 ZINC000867059703 684204036 /nfs/dbraw/zinc/20/40/36/684204036.db2.gz YSOUSNCDINESJF-QKFKETGDSA-N -1 1 374.528 2.167 20 0 FEADMM CS[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(C)(C)C ZINC000867091170 684208705 /nfs/dbraw/zinc/20/87/05/684208705.db2.gz CCVNOJUSTPOVOK-VIFPVBQESA-N -1 1 359.439 2.495 20 0 FEADMM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1 ZINC000867099380 684210136 /nfs/dbraw/zinc/21/01/36/684210136.db2.gz WBBRSLBDDWXYOP-ZETCQYMHSA-N -1 1 368.406 2.286 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cc(F)cc(Cl)c2)sn1 ZINC000867203461 684224956 /nfs/dbraw/zinc/22/49/56/684224956.db2.gz UCXNWCIBQVWUNR-LLVKDONJSA-N -1 1 350.824 2.256 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)NC(=O)OC(C)(C)C ZINC000867212331 684226646 /nfs/dbraw/zinc/22/66/46/684226646.db2.gz XXLIADAYIIDJDK-QMMMGPOBSA-N -1 1 354.375 2.409 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c(Br)n1 ZINC000867237368 684230988 /nfs/dbraw/zinc/23/09/88/684230988.db2.gz UVSFZQPKSDWMAT-UHFFFAOYSA-N -1 1 364.187 2.049 20 0 FEADMM CCOCC(C)(C)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867275530 684237146 /nfs/dbraw/zinc/23/71/46/684237146.db2.gz VOAZCAGZUOTIFI-QFIPXVFZSA-N -1 1 366.480 2.180 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C1(O)CCCC1 ZINC000867371416 684261932 /nfs/dbraw/zinc/26/19/32/684261932.db2.gz IORUGXRFMQDUCQ-QHCPKHFHSA-N -1 1 374.528 2.309 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c1C(F)(F)F ZINC000867415316 684273710 /nfs/dbraw/zinc/27/37/10/684273710.db2.gz CJPPSOBVNGLMME-NSHDSACASA-N -1 1 369.409 2.049 20 0 FEADMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867455138 684284978 /nfs/dbraw/zinc/28/49/78/684284978.db2.gz OSSRPNOHOBFEEJ-XAJVAHTNSA-N -1 1 352.478 2.011 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c1C(F)(F)F ZINC000867486504 684292814 /nfs/dbraw/zinc/29/28/14/684292814.db2.gz TZQFLKRJIVKODZ-ZYHUDNBSSA-N -1 1 367.393 2.065 20 0 FEADMM O=S(=O)(Oc1cccc(OC2CC2)c1)c1[n-]cnc1Br ZINC000867512177 684299039 /nfs/dbraw/zinc/29/90/39/684299039.db2.gz PUVXRAPZXSXWAJ-UHFFFAOYSA-N -1 1 359.201 2.481 20 0 FEADMM C[S@](=O)(=NS(=O)(=O)[N-]CC[C@H]1CC1(F)F)c1ccccc1F ZINC000867549238 684311871 /nfs/dbraw/zinc/31/18/71/684311871.db2.gz JJVRZUHDNYCSJP-JLTPVHFHSA-N -1 1 356.391 2.162 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccccc1CC(F)(F)F ZINC000867568966 684317594 /nfs/dbraw/zinc/31/75/94/684317594.db2.gz RTGJRTRJKARAMZ-UHFFFAOYSA-N -1 1 370.418 2.388 20 0 FEADMM O=C([N-]CC[C@H]1CN(S(=O)(=O)C2CC2)c2ccccc21)C(F)(F)F ZINC000867735579 684366295 /nfs/dbraw/zinc/36/62/95/684366295.db2.gz IUCVOZTWMKRUGH-JTQLQIEISA-N -1 1 362.373 2.151 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)nc1Cl ZINC000867781006 684384032 /nfs/dbraw/zinc/38/40/32/684384032.db2.gz RVJBDRMGTXWTNS-DTWKUNHWSA-N -1 1 357.785 2.497 20 0 FEADMM COc1cc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000924454018 684449268 /nfs/dbraw/zinc/44/92/68/684449268.db2.gz HOQJZNCBTRCVGX-CYBMUJFWSA-N -1 1 353.724 2.441 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000868142329 684456882 /nfs/dbraw/zinc/45/68/82/684456882.db2.gz GSSDUCJVTHQVJQ-IOASZLSFSA-N -1 1 355.360 2.395 20 0 FEADMM COC(C)(C)C[C@H](C)NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868315600 684479795 /nfs/dbraw/zinc/47/97/95/684479795.db2.gz SIXWULILZFJMMK-HZMBPMFUSA-N -1 1 353.385 2.043 20 0 FEADMM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000868533222 684507519 /nfs/dbraw/zinc/50/75/19/684507519.db2.gz ZAYMVEJMBYSAFE-UHFFFAOYSA-N -1 1 359.279 2.032 20 0 FEADMM C[C@@H]1CCN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000869312268 684603405 /nfs/dbraw/zinc/60/34/05/684603405.db2.gz KKAWOIJUOCRQLG-FRRDWIJNSA-N -1 1 364.408 2.497 20 0 FEADMM Cc1nc(C2CC2)ccc1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869529267 684626800 /nfs/dbraw/zinc/62/68/00/684626800.db2.gz ZFNCUAQHWWLYPH-UHFFFAOYSA-N -1 1 358.316 2.062 20 0 FEADMM C[C@@H](C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1)c1ccnn1C ZINC000870164612 684689518 /nfs/dbraw/zinc/68/95/18/684689518.db2.gz UJJRPHKJRYHNHD-CYBMUJFWSA-N -1 1 362.861 2.227 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCC23CCOCC3)c(=O)[n-]1 ZINC000871579735 684831628 /nfs/dbraw/zinc/83/16/28/684831628.db2.gz NYTMUHRAVILCPV-CYBMUJFWSA-N -1 1 365.499 2.468 20 0 FEADMM CCOC(=O)CCc1c(C)nc(SCc2cc(C)n(C)n2)[n-]c1=O ZINC000871692379 684845750 /nfs/dbraw/zinc/84/57/50/684845750.db2.gz LUNYTCJSXIZRTD-UHFFFAOYSA-N -1 1 350.444 2.321 20 0 FEADMM CCN(CC(F)(F)F)C(=O)CO[N-]C(=O)CCc1ccc(OC)cc1 ZINC000871798802 684857386 /nfs/dbraw/zinc/85/73/86/684857386.db2.gz UIZGGNWSCNJHOH-UHFFFAOYSA-N -1 1 362.348 2.086 20 0 FEADMM COc1ccc(Cn2cc(C[N-]c3nnc(C(F)(F)F)o3)nn2)cc1 ZINC000871863690 684868688 /nfs/dbraw/zinc/86/86/88/684868688.db2.gz YXTMZDGTTQIEJB-UHFFFAOYSA-N -1 1 354.292 2.349 20 0 FEADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000871870712 684870152 /nfs/dbraw/zinc/87/01/52/684870152.db2.gz QGQJHBNHEDHMPT-LBPRGKRZSA-N -1 1 374.890 2.499 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000871873046 684871075 /nfs/dbraw/zinc/87/10/75/684871075.db2.gz YDDFTCCSHDGSTC-ZDUSSCGKSA-N -1 1 372.874 2.204 20 0 FEADMM CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1C(=O)[O-] ZINC000871890232 684873885 /nfs/dbraw/zinc/87/38/85/684873885.db2.gz SWSOUMHKBPKEBL-TZMCWYRMSA-N -1 1 354.472 2.050 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000871942551 684889313 /nfs/dbraw/zinc/88/93/13/684889313.db2.gz JQBAIZVNGYVJQY-ZBEGNZNMSA-N -1 1 366.439 2.256 20 0 FEADMM CC(C)N1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000871942726 684889435 /nfs/dbraw/zinc/88/94/35/684889435.db2.gz YTHBAQJGKZTKCA-GFCCVEGCSA-N -1 1 360.863 2.189 20 0 FEADMM CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1C(=O)[O-] ZINC000871971966 684899665 /nfs/dbraw/zinc/89/96/65/684899665.db2.gz YDTJIYQEBMJXLF-AWEZNQCLSA-N -1 1 354.472 2.050 20 0 FEADMM C[C@H](CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1)C(C)(C)C ZINC000872159604 684924028 /nfs/dbraw/zinc/92/40/28/684924028.db2.gz KSZMONYPCCQOQB-CQSZACIVSA-N -1 1 368.499 2.373 20 0 FEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CC2CC3(CCC3)C2)(C(=O)OC)C1(C)C ZINC000872476517 684959852 /nfs/dbraw/zinc/95/98/52/684959852.db2.gz YNDRGLPPNKWFHF-KBXCAEBGSA-N -1 1 373.515 2.233 20 0 FEADMM COc1cccc(C2(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC2)c1 ZINC000872488796 684963367 /nfs/dbraw/zinc/96/33/67/684963367.db2.gz MTACQZBMMZXMBD-HSZRJFAPSA-N -1 1 374.528 2.458 20 0 FEADMM O=C1OCC[C@H]1CCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000872563640 684978904 /nfs/dbraw/zinc/97/89/04/684978904.db2.gz WZRVTUGGELATDF-MRVPVSSYSA-N -1 1 353.227 2.010 20 0 FEADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000872902584 685031377 /nfs/dbraw/zinc/03/13/77/685031377.db2.gz FNTNDZJKSKIDLB-SNVBAGLBSA-N -1 1 365.739 2.008 20 0 FEADMM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC000910389195 685046361 /nfs/dbraw/zinc/04/63/61/685046361.db2.gz ZGXOOXMINZVOJQ-ZYHUDNBSSA-N -1 1 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/nfs/dbraw/zinc/48/81/91/691488191.db2.gz BPNVIRKPYCXYFL-VIFPVBQESA-N -1 1 366.281 2.046 20 0 FEADMM O=C(c1cccc(Oc2nccs2)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473316 691493338 /nfs/dbraw/zinc/49/33/38/691493338.db2.gz FZBNVMYKZMQHKJ-LBPRGKRZSA-N -1 1 374.451 2.379 20 0 FEADMM Cc1cc(C)c(C)c(OCCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000907474459 691493969 /nfs/dbraw/zinc/49/39/69/691493969.db2.gz KRFQINJWYFNYCY-CQSZACIVSA-N -1 1 361.471 2.211 20 0 FEADMM Cc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1-n1cccc1 ZINC000907474967 691494014 /nfs/dbraw/zinc/49/40/14/691494014.db2.gz IUPBSTTYRDTSLI-OAHLLOKOSA-N -1 1 354.439 2.229 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478362 691496470 /nfs/dbraw/zinc/49/64/70/691496470.db2.gz XPRDOSOVBOGZLZ-VIFPVBQESA-N -1 1 361.324 2.288 20 0 FEADMM C[C@@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1c[nH]c2ccccc21 ZINC000907479924 691496867 /nfs/dbraw/zinc/49/68/67/691496867.db2.gz NTEAYZGIYMABJK-XHDPSFHLSA-N -1 1 356.455 2.491 20 0 FEADMM O=C(Cc1scnc1-c1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479592 691496994 /nfs/dbraw/zinc/49/69/94/691496994.db2.gz FVBIOGDBVPWEMO-GFCCVEGCSA-N -1 1 372.479 2.182 20 0 FEADMM O=C([C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907482901 691498547 /nfs/dbraw/zinc/49/85/47/691498547.db2.gz SWPMJUMJTYNIRU-RUZUBIRVSA-N -1 1 361.858 2.056 20 0 FEADMM COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3c(F)cc(C)cc3F)[C@@H]2C1 ZINC000907683949 691539504 /nfs/dbraw/zinc/53/95/04/691539504.db2.gz JHWJYHXICWNGFE-DEKYYXRVSA-N -1 1 359.394 2.139 20 0 FEADMM O=S(=O)([N-][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cnc(Cl)cc1C(F)(F)F ZINC000907760147 691554903 /nfs/dbraw/zinc/55/49/03/691554903.db2.gz LUMNTCCHKVFZDT-NECWLLMKSA-N -1 1 368.764 2.208 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)n1 ZINC000907864607 691573503 /nfs/dbraw/zinc/57/35/03/691573503.db2.gz JUSOEAAWMFURTO-UHFFFAOYSA-N -1 1 363.317 2.244 20 0 FEADMM COc1cccc(C(F)(F)C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000907957341 691589540 /nfs/dbraw/zinc/58/95/40/691589540.db2.gz MSAUWVXONCEUDK-JTQLQIEISA-N -1 1 353.325 2.282 20 0 FEADMM O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000907957852 691589895 /nfs/dbraw/zinc/58/98/95/691589895.db2.gz QREIRGQFEZJQND-STQMWFEESA-N -1 1 358.423 2.043 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(C)s2)[n-]c1=O ZINC000908015634 691598778 /nfs/dbraw/zinc/59/87/78/691598778.db2.gz CICGVYFQAULKBP-NSHDSACASA-N -1 1 369.468 2.395 20 0 FEADMM C[C@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)[C@H]1CCCO1 ZINC000908205001 691637341 /nfs/dbraw/zinc/63/73/41/691637341.db2.gz LPTUVYZXCUVEEA-NWBUJAPZSA-N -1 1 350.381 2.106 20 0 FEADMM O=S(=O)([N-][C@@H]1COC[C@@H]1C1CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000908403200 691673659 /nfs/dbraw/zinc/67/36/59/691673659.db2.gz CXJHELXVTYJVOJ-PSASIEDQSA-N -1 1 370.780 2.457 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000908710198 691716640 /nfs/dbraw/zinc/71/66/40/691716640.db2.gz ZNOBMBWBIKCBFK-ZDUSSCGKSA-N -1 1 363.845 2.277 20 0 FEADMM C[C@H](Sc1nncn1C)C(=O)Nc1cccc([O-])c1Br ZINC000908715201 691717499 /nfs/dbraw/zinc/71/74/99/691717499.db2.gz QRTWAMGLQRFHSO-ZETCQYMHSA-N -1 1 357.233 2.403 20 0 FEADMM O=C([O-])[C@@]1(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCSC1 ZINC000908743147 691721159 /nfs/dbraw/zinc/72/11/59/691721159.db2.gz LTYDKIHPKMUEIJ-SUMWQHHRSA-N -1 1 367.471 2.066 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@H](CF)C(=O)[O-])c1ccccc1Cl ZINC000908749516 691722259 /nfs/dbraw/zinc/72/22/59/691722259.db2.gz TWHASLFYRMTXPI-ZIAGYGMSSA-N -1 1 359.829 2.445 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000908754871 691723963 /nfs/dbraw/zinc/72/39/63/691723963.db2.gz SMUCKJNLKKFQIZ-FZMZJTMJSA-N -1 1 352.818 2.076 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)c1ccsc1 ZINC000908815423 691734402 /nfs/dbraw/zinc/73/44/02/691734402.db2.gz YBVIUWYZLMNJNT-LBPRGKRZSA-N -1 1 357.501 2.000 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908836474 691737755 /nfs/dbraw/zinc/73/77/55/691737755.db2.gz MAARJAPGULBUTH-RDJZCZTQSA-N -1 1 350.434 2.306 20 0 FEADMM C[C@@H]1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000909095039 691777359 /nfs/dbraw/zinc/77/73/59/691777359.db2.gz JWENSGFYCMLTPS-CJNGLKHVSA-N -1 1 351.422 2.152 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCSC1)c1ccc(Cl)cc1 ZINC000909122702 691781531 /nfs/dbraw/zinc/78/15/31/691781531.db2.gz NSEHGPYGCNJZOY-CZUORRHYSA-N -1 1 371.890 2.202 20 0 FEADMM CC1(C)CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC[S@]1=O ZINC000909221840 691796225 /nfs/dbraw/zinc/79/62/25/691796225.db2.gz QQGKRGGZOBYYLY-XMMPIXPASA-N -1 1 350.415 2.453 20 0 FEADMM CN(CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)[C@H]1CCSC1 ZINC000909342460 691809766 /nfs/dbraw/zinc/80/97/66/691809766.db2.gz NUKNHWDGDDMFRJ-SMDDNHRTSA-N -1 1 358.410 2.034 20 0 FEADMM Cc1cc(CC(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])[nH]n1 ZINC000909389584 691816218 /nfs/dbraw/zinc/81/62/18/691816218.db2.gz UNNBUYYERKOTTM-ZDUSSCGKSA-N -1 1 356.209 2.380 20 0 FEADMM O=C([O-])[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(F)c1 ZINC000909390973 691816832 /nfs/dbraw/zinc/81/68/32/691816832.db2.gz MVNBORUJVZJCED-LKFCYVNXSA-N -1 1 351.765 2.249 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccccc2NCC(F)(F)F)C1 ZINC000909403425 691818208 /nfs/dbraw/zinc/81/82/08/691818208.db2.gz HJHHJKQSTMIJQZ-NSHDSACASA-N -1 1 359.348 2.396 20 0 FEADMM CN(CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)[C@H]1CCSC1 ZINC000909537504 691832189 /nfs/dbraw/zinc/83/21/89/691832189.db2.gz VPNRXTQGIMWGQZ-CVEARBPZSA-N -1 1 350.484 2.016 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000909548654 691832821 /nfs/dbraw/zinc/83/28/21/691832821.db2.gz HRDIKMLMJYEEHT-COPLHBTASA-N -1 1 354.809 2.248 20 0 FEADMM CCN(CC)[C@@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910146550 691894559 /nfs/dbraw/zinc/89/45/59/691894559.db2.gz JPIJPRKKCVITCN-HZPDHXFCSA-N -1 1 350.484 2.346 20 0 FEADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910256661 691907158 /nfs/dbraw/zinc/90/71/58/691907158.db2.gz ZMUZGDMYXAMSSS-GOEBONIOSA-N -1 1 368.861 2.283 20 0 FEADMM Cc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000910378991 691924509 /nfs/dbraw/zinc/92/45/09/691924509.db2.gz JTUCNFDGDBBPTC-CYBMUJFWSA-N -1 1 369.259 2.170 20 0 FEADMM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000910379115 691924991 /nfs/dbraw/zinc/92/49/91/691924991.db2.gz FTPAQTMTKJMZJZ-WZRBSPASSA-N -1 1 353.300 2.474 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NCC2COC2)nc1 ZINC000528226845 694704214 /nfs/dbraw/zinc/70/42/14/694704214.db2.gz XXDZPGOBMFRBBS-UHFFFAOYSA-N -1 1 355.366 2.219 20 0 FEADMM O=C(c1cccc(Nc2cnccn2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509297166 888706470 /nfs/dbraw/zinc/70/64/70/888706470.db2.gz VWINEOLJNOOOHV-UHFFFAOYSA-N -1 1 366.381 2.329 20 0 FEADMM COc1cccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000780357725 939109291 /nfs/dbraw/zinc/10/92/91/939109291.db2.gz ACZCPVMEXAJRKG-ZWKOTPCHSA-N -1 1 371.437 2.423 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC000780691596 939145330 /nfs/dbraw/zinc/14/53/30/939145330.db2.gz HHTZTBXQHMCOOV-AWEZNQCLSA-N -1 1 360.458 2.304 20 0 FEADMM C[C@@](NC(=O)NCCN1CCc2ccccc2C1)(C(=O)[O-])c1ccccc1 ZINC000908808713 939323877 /nfs/dbraw/zinc/32/38/77/939323877.db2.gz JFLJUCXYCGPGAO-NRFANRHFSA-N -1 1 367.449 2.344 20 0 FEADMM COc1cc(C(=O)N=c2ccn(CCc3ccncc3)[nH]2)cc(OC)c1[O-] ZINC000513964996 539009920 /nfs/dbraw/zinc/00/99/20/539009920.db2.gz RNCBQMXGPWWYLO-UHFFFAOYSA-N -1 1 368.393 2.496 20 0 FEADMM O=C(NCc1cscn1)c1ccc(I)c([O-])c1 ZINC000230891200 548760982 /nfs/dbraw/zinc/76/09/82/548760982.db2.gz XASKIFAOXVGVTD-UHFFFAOYSA-N -1 1 360.176 2.383 20 0 FEADMM COC1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000230887205 548761768 /nfs/dbraw/zinc/76/17/68/548761768.db2.gz IRPJVVJQFNNPQW-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)cc1 ZINC000008111181 539476909 /nfs/dbraw/zinc/47/69/09/539476909.db2.gz UZKJTPNVPVUBDK-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CCCc1cc(=O)[n-]c(SCc2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000011443575 539528815 /nfs/dbraw/zinc/52/88/15/539528815.db2.gz XNPJIWTYSUTVFS-UHFFFAOYSA-N -1 1 367.496 2.265 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000029044936 539841445 /nfs/dbraw/zinc/84/14/45/539841445.db2.gz DJHIKMINYPLABU-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000029323560 539850789 /nfs/dbraw/zinc/85/07/89/539850789.db2.gz BYGXXHONPYOIQC-UHFFFAOYSA-N -1 1 362.411 2.197 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1 ZINC000031776955 539918635 /nfs/dbraw/zinc/91/86/35/539918635.db2.gz UJQBFBLZALFONN-UHFFFAOYSA-N -1 1 372.406 2.070 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@@H]1n1cccn1 ZINC000550022860 674078341 /nfs/dbraw/zinc/07/83/41/674078341.db2.gz PXKZLLSZJRHIGP-UNEWFSDZSA-N -1 1 361.423 2.326 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)o1 ZINC000032680581 539947599 /nfs/dbraw/zinc/94/75/99/539947599.db2.gz GMXWAYLAACUIAQ-UHFFFAOYSA-N -1 1 374.365 2.061 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1C ZINC000032590724 539943456 /nfs/dbraw/zinc/94/34/56/539943456.db2.gz BXNOPAVSCCJVJJ-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)o1 ZINC000032948454 539960920 /nfs/dbraw/zinc/96/09/20/539960920.db2.gz QVNLIQAAFUIOBG-AWEZNQCLSA-N -1 1 365.455 2.284 20 0 FEADMM CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801827 540141941 /nfs/dbraw/zinc/14/19/41/540141941.db2.gz CVGUPQKQPADWJA-RYUDHWBXSA-N -1 1 357.476 2.172 20 0 FEADMM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1cc(F)ccc1F ZINC000046811913 540271638 /nfs/dbraw/zinc/27/16/38/540271638.db2.gz FKUSDSZXVDARIP-UHFFFAOYSA-N -1 1 364.377 2.083 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCc1cccs1 ZINC000047327879 540303897 /nfs/dbraw/zinc/30/38/97/540303897.db2.gz OOMWRLZNSVIUQE-UHFFFAOYSA-N -1 1 354.435 2.103 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000049941953 540394888 /nfs/dbraw/zinc/39/48/88/540394888.db2.gz SZPRHXQPQJOOOI-SFHVURJKSA-N -1 1 354.406 2.009 20 0 FEADMM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266537 540428236 /nfs/dbraw/zinc/42/82/36/540428236.db2.gz MOYPFNSIKLIFGR-UHFFFAOYSA-N -1 1 353.308 2.054 20 0 FEADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000535731853 540500915 /nfs/dbraw/zinc/50/09/15/540500915.db2.gz HJXAIBJEUHWDLS-NSHDSACASA-N -1 1 369.450 2.246 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000054817938 540613132 /nfs/dbraw/zinc/61/31/32/540613132.db2.gz KLOJAIDALRWDRH-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000055628231 540664956 /nfs/dbraw/zinc/66/49/56/540664956.db2.gz BYSZKOXHDKANPY-UHFFFAOYSA-N -1 1 364.423 2.254 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1Cl ZINC000055650608 540667946 /nfs/dbraw/zinc/66/79/46/540667946.db2.gz RFWNEXKGFUCUMJ-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000538273005 540835521 /nfs/dbraw/zinc/83/55/21/540835521.db2.gz BNIFKJXWQHGEKI-UHFFFAOYSA-N -1 1 372.303 2.185 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2cccc(OCC(F)(F)F)n2)n[n-]1 ZINC000538683401 540879384 /nfs/dbraw/zinc/87/93/84/540879384.db2.gz MTZHYFRWVNPTPD-UHFFFAOYSA-N -1 1 358.276 2.175 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000109376565 209305322 /nfs/dbraw/zinc/30/53/22/209305322.db2.gz ODFGINPWLNBLEP-UHFFFAOYSA-N -1 1 374.871 2.238 20 0 FEADMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)c[nH]1)N1CCCC1 ZINC000109283912 209301397 /nfs/dbraw/zinc/30/13/97/209301397.db2.gz MEPDLEYWDSZCDH-UHFFFAOYSA-N -1 1 355.366 2.330 20 0 FEADMM CCNC(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000060500089 541114551 /nfs/dbraw/zinc/11/45/51/541114551.db2.gz ALHMVFWJKBXGKC-UHFFFAOYSA-N -1 1 372.368 2.332 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000063444539 541168433 /nfs/dbraw/zinc/16/84/33/541168433.db2.gz BCRHZEMCTGAJHN-UHFFFAOYSA-N -1 1 362.407 2.390 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000064467657 541206762 /nfs/dbraw/zinc/20/67/62/541206762.db2.gz JZDLEWXMOFXBKK-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1cccc(-n2cnnn2)c1 ZINC000065832496 541264225 /nfs/dbraw/zinc/26/42/25/541264225.db2.gz GKFGSDDSNPREPL-UHFFFAOYSA-N -1 1 367.337 2.065 20 0 FEADMM COCCCOc1ccc(C(=O)NCc2n[n-]c(=S)n2C2CC2)cn1 ZINC000066637643 541352343 /nfs/dbraw/zinc/35/23/43/541352343.db2.gz RXOIZAZIMKDHAT-UHFFFAOYSA-N -1 1 363.443 2.016 20 0 FEADMM COCCCOc1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cn1 ZINC000066639292 541352485 /nfs/dbraw/zinc/35/24/85/541352485.db2.gz ZZMOFVDJYSJEJM-UHFFFAOYSA-N -1 1 365.459 2.262 20 0 FEADMM Cc1cccc(C(=O)N[C@H](C)C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638510 541352605 /nfs/dbraw/zinc/35/26/05/541352605.db2.gz ZEIMOVJYUGBHCY-LLVKDONJSA-N -1 1 359.455 2.019 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(CC(C)C)CC(F)(F)F ZINC000067019975 541407408 /nfs/dbraw/zinc/40/74/08/541407408.db2.gz ITIYHYZAEXQOHI-UHFFFAOYSA-N -1 1 358.364 2.229 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cncc(Br)c1 ZINC000067079642 541414990 /nfs/dbraw/zinc/41/49/90/541414990.db2.gz GJJXCXNHZAMTBS-UHFFFAOYSA-N -1 1 368.260 2.406 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000067079358 541415094 /nfs/dbraw/zinc/41/50/94/541415094.db2.gz BYOVNIXPXHNTQN-UHFFFAOYSA-N -1 1 371.466 2.375 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000068226699 541566465 /nfs/dbraw/zinc/56/64/65/541566465.db2.gz BCNAJGMFQGZDHV-UHFFFAOYSA-N -1 1 370.427 2.166 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)OCC2CC2)c1 ZINC000068350539 541580414 /nfs/dbraw/zinc/58/04/14/541580414.db2.gz IHQMPDHIUBDNPJ-GFCCVEGCSA-N -1 1 370.471 2.176 20 0 FEADMM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426982 541590100 /nfs/dbraw/zinc/59/01/00/541590100.db2.gz IEFRLOATHRXEOX-JSGCOSHPSA-N -1 1 368.503 2.158 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000068452891 541594204 /nfs/dbraw/zinc/59/42/04/541594204.db2.gz RIDWINBOCKFCHS-UHFFFAOYSA-N -1 1 359.455 2.305 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300367 541676078 /nfs/dbraw/zinc/67/60/78/541676078.db2.gz LPDYVSQWFSHEEP-OLZOCXBDSA-N -1 1 370.519 2.395 20 0 FEADMM Cc1ccn2ncc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)c2n1 ZINC000069371753 541681043 /nfs/dbraw/zinc/68/10/43/541681043.db2.gz GDVLBYSTWRICEQ-UHFFFAOYSA-N -1 1 364.405 2.478 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](O)C1CCCCC1 ZINC000069492691 541690998 /nfs/dbraw/zinc/69/09/98/541690998.db2.gz MHJWNDOWWUCEME-MRXNPFEDSA-N -1 1 360.458 2.042 20 0 FEADMM CCOC[C@@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000072838769 541878122 /nfs/dbraw/zinc/87/81/22/541878122.db2.gz RPAVLLITCRFJKQ-OAHLLOKOSA-N -1 1 360.458 2.259 20 0 FEADMM COCc1nc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])no1 ZINC000801376015 674124719 /nfs/dbraw/zinc/12/47/19/674124719.db2.gz VRXNHEWSGWIFEX-UHFFFAOYSA-N -1 1 364.745 2.118 20 0 FEADMM O=S(=O)([N-]CC1(O)Cc2ccccc2C1)c1cc(Cl)ccc1F ZINC000551148074 674126925 /nfs/dbraw/zinc/12/69/25/674126925.db2.gz OSHYNEQWZOQLCS-UHFFFAOYSA-N -1 1 355.818 2.287 20 0 FEADMM CO[C@@]1(C)C[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1(C)C ZINC000073265130 541937939 /nfs/dbraw/zinc/93/79/39/541937939.db2.gz CSRNWVNZANVVIJ-YWZLYKJASA-N -1 1 370.453 2.003 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1 ZINC000073743769 541994601 /nfs/dbraw/zinc/99/46/01/541994601.db2.gz BTFVLHLNLMAYMW-UHFFFAOYSA-N -1 1 358.423 2.257 20 0 FEADMM CCO[C@H](CCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)C ZINC000074288623 542063875 /nfs/dbraw/zinc/06/38/75/542063875.db2.gz PNWYMRHHUDZIJG-QGZVFWFLSA-N -1 1 372.469 2.250 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000074631937 542105755 /nfs/dbraw/zinc/10/57/55/542105755.db2.gz XYGKTFNOGKYRFO-UHFFFAOYSA-N -1 1 361.423 2.148 20 0 FEADMM COc1ccc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1F ZINC000075565280 542188791 /nfs/dbraw/zinc/18/87/91/542188791.db2.gz NKUNJLWECPBDRH-UHFFFAOYSA-N -1 1 365.430 2.197 20 0 FEADMM Cc1csc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)[n-]c(=O)c12 ZINC000077251518 542359920 /nfs/dbraw/zinc/35/99/20/542359920.db2.gz YIDCQCRXKCMXKK-UHFFFAOYSA-N -1 1 355.419 2.432 20 0 FEADMM Cc1csc2nc(-c3ccc(CN4C(=O)CNC4=O)cc3)[n-]c(=O)c12 ZINC000077251556 542359981 /nfs/dbraw/zinc/35/99/81/542359981.db2.gz WYIKCODZEJMJBZ-UHFFFAOYSA-N -1 1 354.391 2.012 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)cc1 ZINC000077956424 542432539 /nfs/dbraw/zinc/43/25/39/542432539.db2.gz CPBOVYILBBUWOP-UHFFFAOYSA-N -1 1 362.451 2.426 20 0 FEADMM CCN(CC)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cn1 ZINC000079402607 542516804 /nfs/dbraw/zinc/51/68/04/542516804.db2.gz XAHYSNFOXLGFFQ-UHFFFAOYSA-N -1 1 351.410 2.094 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(F)c1 ZINC000080782038 542607516 /nfs/dbraw/zinc/60/75/16/542607516.db2.gz OAGBBZYQYLXTCB-UHFFFAOYSA-N -1 1 360.313 2.327 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccco1 ZINC000080790844 542608228 /nfs/dbraw/zinc/60/82/28/542608228.db2.gz JSOHLAZYWNLHHH-SNVBAGLBSA-N -1 1 361.217 2.103 20 0 FEADMM Cn1c(CNC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)n[n-]c1=S ZINC000081680962 542672481 /nfs/dbraw/zinc/67/24/81/542672481.db2.gz LGCSNSCBNWDSKF-AWEZNQCLSA-N -1 1 363.462 2.288 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc12 ZINC000093909348 542945057 /nfs/dbraw/zinc/94/50/57/542945057.db2.gz JWFSGEYLNYRINV-UHFFFAOYSA-N -1 1 356.407 2.191 20 0 FEADMM CC[C@H](CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000104021737 543120448 /nfs/dbraw/zinc/12/04/48/543120448.db2.gz PWSKGDPLISAMQX-OAHLLOKOSA-N -1 1 352.438 2.492 20 0 FEADMM CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000104314002 543128212 /nfs/dbraw/zinc/12/82/12/543128212.db2.gz JZWNMVYALWXQOX-UHFFFAOYSA-N -1 1 350.382 2.211 20 0 FEADMM COc1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000105616438 543177857 /nfs/dbraw/zinc/17/78/57/543177857.db2.gz UMUPTOZMVNDZNH-UHFFFAOYSA-N -1 1 361.341 2.470 20 0 FEADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000105390081 543172877 /nfs/dbraw/zinc/17/28/77/543172877.db2.gz NSRLVLIYTJDKFB-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cncc([O-])c1 ZINC000111591156 543408374 /nfs/dbraw/zinc/40/83/74/543408374.db2.gz ZMZJMAOARWVTQX-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM COc1ccc(CCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1F ZINC000114156270 543505328 /nfs/dbraw/zinc/50/53/28/543505328.db2.gz OVWPLCOUOJGGHE-UHFFFAOYSA-N -1 1 372.400 2.036 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000114411804 543514042 /nfs/dbraw/zinc/51/40/42/543514042.db2.gz PKUAVCLBLVUFFG-LLVKDONJSA-N -1 1 356.401 2.274 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)o1 ZINC000115582683 543575333 /nfs/dbraw/zinc/57/53/33/543575333.db2.gz YNZJKXLZIHGIHB-ZDUSSCGKSA-N -1 1 364.423 2.014 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cn1 ZINC000552030783 674183274 /nfs/dbraw/zinc/18/32/74/674183274.db2.gz PGAPVKZFGBLAIK-UHFFFAOYSA-N -1 1 367.427 2.486 20 0 FEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123043787 543739425 /nfs/dbraw/zinc/73/94/25/543739425.db2.gz RQZOTKVCECQNMZ-OLZOCXBDSA-N -1 1 356.451 2.429 20 0 FEADMM Cc1ccc(Cc2nc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cs2)cc1 ZINC000124350269 543815651 /nfs/dbraw/zinc/81/56/51/543815651.db2.gz DFILNVROQPYZJF-GFCCVEGCSA-N -1 1 356.455 2.431 20 0 FEADMM COc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1OC1CCCC1 ZINC000124357219 543816215 /nfs/dbraw/zinc/81/62/15/543816215.db2.gz XWEFBHDMLPCTTJ-GFCCVEGCSA-N -1 1 359.430 2.405 20 0 FEADMM Cc1cc(Br)ccc1CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000124354372 543816368 /nfs/dbraw/zinc/81/63/68/543816368.db2.gz KESLVVOVFXGXAK-JTQLQIEISA-N -1 1 352.236 2.075 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nc(C3CC3)cs2)c(=O)[n-]1 ZINC000126304767 543929158 /nfs/dbraw/zinc/92/91/58/543929158.db2.gz HRSBSTMAVAWRLZ-UHFFFAOYSA-N -1 1 364.496 2.383 20 0 FEADMM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)oc1C ZINC000125611924 543891837 /nfs/dbraw/zinc/89/18/37/543891837.db2.gz GAIUKIOMBHYUIT-UHFFFAOYSA-N -1 1 363.313 2.270 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)cc1Cl)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127127271 543974107 /nfs/dbraw/zinc/97/41/07/543974107.db2.gz MZSAKXKQJSBYCH-ZETCQYMHSA-N -1 1 372.809 2.276 20 0 FEADMM Cc1cc(C)c(NC(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(C3CC3)n2)c(C)c1 ZINC000127129556 543974333 /nfs/dbraw/zinc/97/43/33/543974333.db2.gz CGMYTYMOCVJAOC-GFCCVEGCSA-N -1 1 362.455 2.408 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000127205866 543978319 /nfs/dbraw/zinc/97/83/19/543978319.db2.gz LDJKGSXDIVKQHJ-SFHVURJKSA-N -1 1 362.474 2.144 20 0 FEADMM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000126846745 543959837 /nfs/dbraw/zinc/95/98/37/543959837.db2.gz LNBQLDDOBYMFKK-QGZVFWFLSA-N -1 1 373.840 2.030 20 0 FEADMM O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000129117843 544091479 /nfs/dbraw/zinc/09/14/79/544091479.db2.gz HOSPPFDSRKHALZ-LLVKDONJSA-N -1 1 352.329 2.070 20 0 FEADMM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000129266705 544101654 /nfs/dbraw/zinc/10/16/54/544101654.db2.gz KKZCNSFLOUPYJM-OAHLLOKOSA-N -1 1 356.397 2.495 20 0 FEADMM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129358656 544107588 /nfs/dbraw/zinc/10/75/88/544107588.db2.gz MKJOLIAUIISXTO-GFCCVEGCSA-N -1 1 371.832 2.367 20 0 FEADMM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000132820729 544244927 /nfs/dbraw/zinc/24/49/27/544244927.db2.gz BECUUSGKBZHPQF-KOLCDFICSA-N -1 1 354.291 2.340 20 0 FEADMM Cc1csc(C2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)n1 ZINC000132664328 544239765 /nfs/dbraw/zinc/23/97/65/544239765.db2.gz RSBKRNJNLNWLMH-UHFFFAOYSA-N -1 1 357.439 2.459 20 0 FEADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000133454007 544270603 /nfs/dbraw/zinc/27/06/03/544270603.db2.gz BMMUUWJANRELPU-VIFPVBQESA-N -1 1 364.261 2.050 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc2[nH]c(C(=O)OCC)cc2c1)c1nn[n-]n1 ZINC000136714010 544377441 /nfs/dbraw/zinc/37/74/41/544377441.db2.gz FOYVOORTBXSJLA-CYBMUJFWSA-N -1 1 356.386 2.129 20 0 FEADMM C[C@H](c1cccc(Cl)c1)S(=O)(=O)C1N=NC(=O)N1C[C@H]1CCCO1 ZINC000151883584 544591470 /nfs/dbraw/zinc/59/14/70/544591470.db2.gz PVWOIOXMIVMADE-ZWNOBZJWSA-N -1 1 371.846 2.351 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)c2ccc(F)cc2)c1 ZINC000152695914 544684756 /nfs/dbraw/zinc/68/47/56/544684756.db2.gz RIRVRUKQKMCALR-UHFFFAOYSA-N -1 1 355.387 2.461 20 0 FEADMM NC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000152573589 544669427 /nfs/dbraw/zinc/66/94/27/544669427.db2.gz LYJWGAMVQUESQY-LBPRGKRZSA-N -1 1 360.769 2.123 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)co1 ZINC000153012196 544722543 /nfs/dbraw/zinc/72/25/43/544722543.db2.gz JCNSXVQYROBAID-JOYOIKCWSA-N -1 1 372.805 2.266 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)c(F)cc1F ZINC000153020718 544724316 /nfs/dbraw/zinc/72/43/16/544724316.db2.gz CQWGDAJKLMTGBJ-XPTSAGLGSA-N -1 1 367.414 2.437 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)o1 ZINC000153328485 544762111 /nfs/dbraw/zinc/76/21/11/544762111.db2.gz JDAFMASHXAKHHQ-KWQFWETISA-N -1 1 372.805 2.266 20 0 FEADMM CCN1C(=S)N=NC1CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180516786 327689086 /nfs/dbraw/zinc/68/90/86/327689086.db2.gz RCHIJIZIFKLFCV-UHFFFAOYSA-N -1 1 360.361 2.284 20 0 FEADMM COCCC(=O)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180744114 327700259 /nfs/dbraw/zinc/70/02/59/327700259.db2.gz YFKZSTPIFHJUSU-UHFFFAOYSA-N -1 1 374.359 2.168 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1cccc(F)c1F ZINC000180789483 327702117 /nfs/dbraw/zinc/70/21/17/327702117.db2.gz JSWXCJGLGBOYCZ-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM COC(=O)C[C@](C)([N-]S(=O)(=O)c1c(F)cccc1F)c1ccncc1 ZINC000187712356 328041408 /nfs/dbraw/zinc/04/14/08/328041408.db2.gz PBDNHNCVVRALBF-INIZCTEOSA-N -1 1 370.377 2.117 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000188111839 328066956 /nfs/dbraw/zinc/06/69/56/328066956.db2.gz FRUFTFBBKZKLMS-FZMZJTMJSA-N -1 1 359.451 2.453 20 0 FEADMM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000190522092 328213706 /nfs/dbraw/zinc/21/37/06/328213706.db2.gz YLSWFKPCAHRPRH-DLBZAZTESA-N -1 1 374.462 2.377 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1F ZINC000190719773 328227493 /nfs/dbraw/zinc/22/74/93/328227493.db2.gz ZQVWLQCUCHHTPI-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM O=C(NCCCn1ccnc1)c1cc(I)ccc1[O-] ZINC000192796680 328340188 /nfs/dbraw/zinc/34/01/88/328340188.db2.gz XETZSZUBPHVWRE-UHFFFAOYSA-N -1 1 371.178 2.013 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC000193119535 328358720 /nfs/dbraw/zinc/35/87/20/328358720.db2.gz YQMIWLDSUGXQQK-ZDUSSCGKSA-N -1 1 373.352 2.339 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)o1 ZINC000032339853 324474994 /nfs/dbraw/zinc/47/49/94/324474994.db2.gz XALWLCQMAYUYDV-LLVKDONJSA-N -1 1 352.437 2.155 20 0 FEADMM CSC[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230895487 328487460 /nfs/dbraw/zinc/48/74/60/328487460.db2.gz WEBOKDIVOMUXIC-ZETCQYMHSA-N -1 1 351.209 2.478 20 0 FEADMM Cn1ccc(CNC(=O)c2ccc(I)c([O-])c2)c1 ZINC000230900486 328487545 /nfs/dbraw/zinc/48/75/45/328487545.db2.gz UBYLPZPTKZQQOZ-UHFFFAOYSA-N -1 1 356.163 2.265 20 0 FEADMM O=C(NCc1nnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000053902219 324751783 /nfs/dbraw/zinc/75/17/83/324751783.db2.gz CTWFVISZLKNXQJ-UHFFFAOYSA-N -1 1 351.204 2.013 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC(OCC(C)C)CC2)c(=O)[n-]1 ZINC000055911139 324791837 /nfs/dbraw/zinc/79/18/37/324791837.db2.gz NTAVXWVNGRMPOZ-UHFFFAOYSA-N -1 1 367.515 2.396 20 0 FEADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)N1CCCCC1 ZINC000057221999 324824822 /nfs/dbraw/zinc/82/48/22/324824822.db2.gz CBWYVBWWCNFHCX-JTQLQIEISA-N -1 1 355.232 2.286 20 0 FEADMM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc2ccccc2c1[O-] ZINC000078717300 325059427 /nfs/dbraw/zinc/05/94/27/325059427.db2.gz PAIAYOSIWNWGHP-UHFFFAOYSA-N -1 1 362.389 2.129 20 0 FEADMM COc1cccc([C@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000084603396 325240368 /nfs/dbraw/zinc/24/03/68/325240368.db2.gz QEFYVBPNTCGTML-GFCCVEGCSA-N -1 1 368.437 2.458 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n[n-]1 ZINC000086170656 325262056 /nfs/dbraw/zinc/26/20/56/325262056.db2.gz OJWTZVBPGSWBLX-SECBINFHSA-N -1 1 356.835 2.130 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000092335675 325410872 /nfs/dbraw/zinc/41/08/72/325410872.db2.gz OYUXFFNCSSDTMC-CYBMUJFWSA-N -1 1 359.835 2.077 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](C)O)c2)cc1F ZINC000098075836 325465978 /nfs/dbraw/zinc/46/59/78/325465978.db2.gz MQTXXPBJDKTVFH-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000103941503 325529113 /nfs/dbraw/zinc/52/91/13/325529113.db2.gz POLRLPGUCQSJJX-FQEVSTJZSA-N -1 1 350.422 2.449 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CCCc1ccccc1 ZINC000104850928 325548160 /nfs/dbraw/zinc/54/81/60/325548160.db2.gz PWCWWZMWXORVSZ-UHFFFAOYSA-N -1 1 352.438 2.273 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4nnnn4C)c3)ccc2O1 ZINC000106006769 325574184 /nfs/dbraw/zinc/57/41/84/325574184.db2.gz YLMJSHSOUGXDMG-NSHDSACASA-N -1 1 371.422 2.001 20 0 FEADMM CN1C(=S)N=NC1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000109628359 325670632 /nfs/dbraw/zinc/67/06/32/325670632.db2.gz AOPHMVLSVBTGQT-UHFFFAOYSA-N -1 1 352.847 2.483 20 0 FEADMM Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nnn[n-]3)[C@@H]2c2cccs2)cc1 ZINC000118685545 326097247 /nfs/dbraw/zinc/09/72/47/326097247.db2.gz GHOSNFDHEBKAJW-SWLSCSKDSA-N -1 1 368.422 2.303 20 0 FEADMM Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nn[n-]n3)[C@@H]2c2cccs2)cc1 ZINC000118685545 326097250 /nfs/dbraw/zinc/09/72/50/326097250.db2.gz GHOSNFDHEBKAJW-SWLSCSKDSA-N -1 1 368.422 2.303 20 0 FEADMM COCCN(CCCc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119186899 326135589 /nfs/dbraw/zinc/13/55/89/326135589.db2.gz UOVSTSZFVOUMPX-UHFFFAOYSA-N -1 1 368.437 2.395 20 0 FEADMM COc1ccccc1C[C@H](C)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119293841 326146260 /nfs/dbraw/zinc/14/62/60/326146260.db2.gz JYGHNGUOZDVYFQ-LBPRGKRZSA-N -1 1 354.410 2.386 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N(CCCO)Cc1cccc(Cl)c1)c2=O ZINC000119439113 326162688 /nfs/dbraw/zinc/16/26/88/326162688.db2.gz IJRDKJKXVYQSAV-UHFFFAOYSA-N -1 1 374.828 2.352 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCOc3cc(F)ccc31)c2=O ZINC000119490098 326168316 /nfs/dbraw/zinc/16/83/16/326168316.db2.gz MIXCMMVOJBCEPY-CQSZACIVSA-N -1 1 356.357 2.457 20 0 FEADMM CN(C)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000119651271 326184644 /nfs/dbraw/zinc/18/46/44/326184644.db2.gz QMTKRJBGGGHYOT-UHFFFAOYSA-N -1 1 374.871 2.391 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)s1 ZINC000119765807 326196166 /nfs/dbraw/zinc/19/61/66/326196166.db2.gz RJKQFVZCAUJODA-UHFFFAOYSA-N -1 1 353.404 2.226 20 0 FEADMM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1sccc1Br ZINC000121593261 326350361 /nfs/dbraw/zinc/35/03/61/326350361.db2.gz KRJWQCZZBSGKKJ-QMMMGPOBSA-N -1 1 370.290 2.378 20 0 FEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)s1 ZINC000125337139 326469887 /nfs/dbraw/zinc/46/98/87/326469887.db2.gz JJNOMZKIMBHLPJ-JTQLQIEISA-N -1 1 371.484 2.348 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-n3cn[nH]c3=O)c2)cc1 ZINC000130657388 326560831 /nfs/dbraw/zinc/56/08/31/326560831.db2.gz ABCJWDOTOOBOMY-UHFFFAOYSA-N -1 1 362.436 2.083 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000131555146 326576892 /nfs/dbraw/zinc/57/68/92/326576892.db2.gz KGNLWBGXWAJKJN-CYBMUJFWSA-N -1 1 363.845 2.493 20 0 FEADMM O=C1c2ccccc2C(=O)N1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134031955 326618709 /nfs/dbraw/zinc/61/87/09/326618709.db2.gz XIVDEZYQPCLYTE-UHFFFAOYSA-N -1 1 370.386 2.007 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)[C@H]1CCOC1 ZINC000135109652 326636391 /nfs/dbraw/zinc/63/63/91/326636391.db2.gz LPNNANSIIRFZNL-SFYZADRCSA-N -1 1 369.668 2.201 20 0 FEADMM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000136930090 326656451 /nfs/dbraw/zinc/65/64/51/326656451.db2.gz GYXBLCODOWDRDY-IAGOWNOFSA-N -1 1 356.422 2.333 20 0 FEADMM CC(C)[C@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000154275336 326755692 /nfs/dbraw/zinc/75/56/92/326755692.db2.gz IUJYGPLMOWVZFE-QGZVFWFLSA-N -1 1 362.451 2.234 20 0 FEADMM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(F)cccc1F ZINC000157176120 326857097 /nfs/dbraw/zinc/85/70/97/326857097.db2.gz ASYPMJIPWDVYIB-LBPRGKRZSA-N -1 1 356.398 2.493 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC(F)F)co1 ZINC000157484346 326866851 /nfs/dbraw/zinc/86/68/51/326866851.db2.gz KGTOVFVKKOZMDQ-UHFFFAOYSA-N -1 1 360.338 2.084 20 0 FEADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCCO1 ZINC000158852215 326909698 /nfs/dbraw/zinc/90/96/98/326909698.db2.gz MCOBTOLZYQEDDI-UHFFFAOYSA-N -1 1 350.371 2.404 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cccc2cccnc21 ZINC000172198495 327186639 /nfs/dbraw/zinc/18/66/39/327186639.db2.gz HHAYYUHGVJWPSM-UHFFFAOYSA-N -1 1 370.369 2.150 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc(C)c1F ZINC000172885774 327224836 /nfs/dbraw/zinc/22/48/36/327224836.db2.gz HSSQIXGTNYVCAO-UHFFFAOYSA-N -1 1 372.443 2.199 20 0 FEADMM COc1ccccc1O[C@H](C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000173277508 327246268 /nfs/dbraw/zinc/24/62/68/327246268.db2.gz SEUZGHMWUPQQPF-GFCCVEGCSA-N -1 1 353.378 2.129 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)o1 ZINC000173656946 327274108 /nfs/dbraw/zinc/27/41/08/327274108.db2.gz RJLRVGMMSCCOQG-JTQLQIEISA-N -1 1 372.830 2.038 20 0 FEADMM CCc1nsc(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)n1 ZINC000173854094 327289150 /nfs/dbraw/zinc/28/91/50/327289150.db2.gz LTLKOMJUJBPLHQ-UHFFFAOYSA-N -1 1 372.450 2.235 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000174377210 327323427 /nfs/dbraw/zinc/32/34/27/327323427.db2.gz WSLOKENDPLYCNF-PBHICJAKSA-N -1 1 352.438 2.474 20 0 FEADMM O=C(CC(c1ccccc1)c1ccccc1)NCCCc1nc(=O)[n-][nH]1 ZINC000174585834 327336243 /nfs/dbraw/zinc/33/62/43/327336243.db2.gz IEJSIJQRUSYMJG-UHFFFAOYSA-N -1 1 350.422 2.369 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccc(COc2ccccc2)cc1 ZINC000174585965 327336289 /nfs/dbraw/zinc/33/62/89/327336289.db2.gz GIUSIQIYHDBTMZ-UHFFFAOYSA-N -1 1 352.394 2.040 20 0 FEADMM CO[C@]1(C)C[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000174822539 327353240 /nfs/dbraw/zinc/35/32/40/327353240.db2.gz PUGSXIPDOZTKBQ-SJKOYZFVSA-N -1 1 353.488 2.053 20 0 FEADMM CCS[C@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000175279006 327384031 /nfs/dbraw/zinc/38/40/31/327384031.db2.gz VSCVDEHKSFYGNQ-CABCVRRESA-N -1 1 362.499 2.362 20 0 FEADMM CCc1nsc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)n1 ZINC000175418227 327391802 /nfs/dbraw/zinc/39/18/02/327391802.db2.gz FFKYCXAQMYYBIE-UHFFFAOYSA-N -1 1 352.847 2.422 20 0 FEADMM C[C@]([N-]S(=O)(=O)c1c(F)cccc1F)(C(N)=O)c1cccc(Cl)c1 ZINC000178599670 327594749 /nfs/dbraw/zinc/59/47/49/327594749.db2.gz GXZLYKYOWJTDTL-OAHLLOKOSA-N -1 1 374.796 2.297 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCCc2nccs2)c(=O)[n-]1 ZINC000263925516 328975727 /nfs/dbraw/zinc/97/57/27/328975727.db2.gz RDNVXSYZFFMGHH-UHFFFAOYSA-N -1 1 352.485 2.351 20 0 FEADMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000264534194 329033560 /nfs/dbraw/zinc/03/35/60/329033560.db2.gz LGTQPRWEYUNVAJ-RYUDHWBXSA-N -1 1 354.834 2.049 20 0 FEADMM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000264773067 329058753 /nfs/dbraw/zinc/05/87/53/329058753.db2.gz VOWISAKQJZCHOY-MRXNPFEDSA-N -1 1 356.382 2.340 20 0 FEADMM 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C[C@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCO1 ZINC000268595870 329437816 /nfs/dbraw/zinc/43/78/16/329437816.db2.gz CQCWEXXXWROVFF-VIFPVBQESA-N -1 1 362.304 2.364 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCOC2(CCCC2)C1 ZINC000268994668 329476328 /nfs/dbraw/zinc/47/63/28/329476328.db2.gz HZJQYHQLSPDMDG-UHFFFAOYSA-N -1 1 368.437 2.267 20 0 FEADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000269642341 329536836 /nfs/dbraw/zinc/53/68/36/329536836.db2.gz RKOHTFQXLOKFDW-UHFFFAOYSA-N -1 1 372.493 2.397 20 0 FEADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccnc3C)ccc2O1 ZINC000269681545 329539608 /nfs/dbraw/zinc/53/96/08/329539608.db2.gz FLWHKLIFHKZOTP-MRXNPFEDSA-N -1 1 362.407 2.057 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1)OCC(F)(F)F ZINC000271401505 329690923 /nfs/dbraw/zinc/69/09/23/329690923.db2.gz MPQFRIVMKIBRKI-VHSXEESVSA-N -1 1 374.315 2.170 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)c2ccccc2F)o1 ZINC000271818835 329728061 /nfs/dbraw/zinc/72/80/61/329728061.db2.gz KHROKZWKISWYCU-ZUZCIYMTSA-N -1 1 371.386 2.260 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000272007241 329744518 /nfs/dbraw/zinc/74/45/18/329744518.db2.gz VEZZQIVLRHNJMQ-MEBBXXQBSA-N -1 1 371.386 2.260 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000272015015 329745186 /nfs/dbraw/zinc/74/51/86/329745186.db2.gz DPRKUSYKNPGJFZ-RKDXNWHRSA-N -1 1 366.361 2.347 20 0 FEADMM O=S(=O)([N-]CCCOC1CCOCC1)c1c(Cl)ccnc1Cl ZINC000272144727 329755566 /nfs/dbraw/zinc/75/55/66/329755566.db2.gz BLZDDLDJWYUSQT-UHFFFAOYSA-N -1 1 369.270 2.252 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000272241318 329762953 /nfs/dbraw/zinc/76/29/53/329762953.db2.gz NOKNGKRSWUVYES-XJKSGUPXSA-N -1 1 356.426 2.169 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCCO2)cc1[N-]S(C)(=O)=O ZINC000272307877 329769068 /nfs/dbraw/zinc/76/90/68/329769068.db2.gz RFTDITUXKVSKSO-SMDDNHRTSA-N -1 1 371.459 2.146 20 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330122629 /nfs/dbraw/zinc/12/26/29/330122629.db2.gz NFTCSTHYHMBMPY-LLVKDONJSA-N -1 1 354.313 2.013 20 0 FEADMM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc3nc(C)ccc3c1[O-])CC2 ZINC000361479043 330204964 /nfs/dbraw/zinc/20/49/64/330204964.db2.gz QVRLFEBEPNAGHS-CVEARBPZSA-N -1 1 371.437 2.036 20 0 FEADMM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c[n-]c3nc(C)ccc3c1=O)CC2 ZINC000361479043 330204966 /nfs/dbraw/zinc/20/49/66/330204966.db2.gz QVRLFEBEPNAGHS-CVEARBPZSA-N -1 1 371.437 2.036 20 0 FEADMM Cc1noc([C@H]2COCCN2C(=O)c2c([O-])cnc3ccc(Cl)cc32)n1 ZINC000367032802 330209542 /nfs/dbraw/zinc/20/95/42/330209542.db2.gz DBIYQFRKWBCSDI-CYBMUJFWSA-N -1 1 374.784 2.499 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000367124280 330219636 /nfs/dbraw/zinc/21/96/36/330219636.db2.gz FFNYFKABCRJPNH-MEDUHNTESA-N -1 1 374.418 2.398 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000369328317 330240139 /nfs/dbraw/zinc/24/01/39/330240139.db2.gz AQGLNIMUHBHACC-UHFFFAOYSA-N -1 1 356.426 2.320 20 0 FEADMM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000805144207 674323166 /nfs/dbraw/zinc/32/31/66/674323166.db2.gz WTDNDGJPXOTGJF-NSHDSACASA-N -1 1 373.830 2.210 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000805252185 674327933 /nfs/dbraw/zinc/32/79/33/674327933.db2.gz YNCIVRXMEZNKBT-VLJOUNFMSA-N -1 1 365.396 2.041 20 0 FEADMM O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(Br)c([O-])c1 ZINC000554813692 674337468 /nfs/dbraw/zinc/33/74/68/674337468.db2.gz USIRZRFZNJAVOD-RYUDHWBXSA-N -1 1 353.216 2.038 20 0 FEADMM O=C(CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)Nc1cccnc1 ZINC000554858142 674338723 /nfs/dbraw/zinc/33/87/23/674338723.db2.gz ZRMJMGMNWSQIQN-UHFFFAOYSA-N -1 1 356.769 2.357 20 0 FEADMM COc1ccccc1C1(C[N-]S(=O)(=O)c2c(N)noc2C)CCCC1 ZINC000554891926 674340029 /nfs/dbraw/zinc/34/00/29/674340029.db2.gz AVPFVCCHFPDEHT-UHFFFAOYSA-N -1 1 365.455 2.364 20 0 FEADMM COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000805510506 674341757 /nfs/dbraw/zinc/34/17/57/674341757.db2.gz GGHUNXHQATXUDA-MRVPVSSYSA-N -1 1 373.199 2.468 20 0 FEADMM O=C(OCCCOc1cccc(I)c1)c1cn[n-]n1 ZINC000805605389 674347333 /nfs/dbraw/zinc/34/73/33/674347333.db2.gz LGWIEHUIGDTOKY-UHFFFAOYSA-N -1 1 373.150 2.035 20 0 FEADMM Cn1cncc1CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000555341145 674357375 /nfs/dbraw/zinc/35/73/75/674357375.db2.gz KFQLXCWCCVICLK-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM CC(F)(F)C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000555407283 674359666 /nfs/dbraw/zinc/35/96/66/674359666.db2.gz XDNYEXLLRLVINT-UHFFFAOYSA-N -1 1 356.188 2.318 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@]1(CO)CCCO1)c1c(F)cccc1Cl ZINC000555456324 674362496 /nfs/dbraw/zinc/36/24/96/674362496.db2.gz OYWQYUGKVWWRMZ-HUUCEWRRSA-N -1 1 363.838 2.078 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000155331825 545513275 /nfs/dbraw/zinc/51/32/75/545513275.db2.gz WTTLUOWWNOLKKB-UHFFFAOYSA-N -1 1 350.297 2.299 20 0 FEADMM O=C(c1c(F)cc(Br)cc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155477568 545531270 /nfs/dbraw/zinc/53/12/70/545531270.db2.gz GUXKUKRULTZORX-ZETCQYMHSA-N -1 1 372.173 2.260 20 0 FEADMM CNC(=O)c1ccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cn1 ZINC000473661385 538788941 /nfs/dbraw/zinc/78/89/41/538788941.db2.gz UJJIXXOFRBWQOE-UHFFFAOYSA-N -1 1 357.320 2.362 20 0 FEADMM O=C1CCc2cc([N-]S(=O)(=O)c3c[nH]c4ncccc34)c(F)cc2N1 ZINC000156953170 545681173 /nfs/dbraw/zinc/68/11/73/545681173.db2.gz YFAAULDKPTXXKC-UHFFFAOYSA-N -1 1 360.370 2.388 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1F ZINC000158241381 545839816 /nfs/dbraw/zinc/83/98/16/545839816.db2.gz NNEILIUWZIZQMG-UHFFFAOYSA-N -1 1 366.414 2.398 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000159974376 545996918 /nfs/dbraw/zinc/99/69/18/545996918.db2.gz KIBRSYKAKHXSJE-UHFFFAOYSA-N -1 1 357.395 2.260 20 0 FEADMM CCCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000478598022 561170573 /nfs/dbraw/zinc/17/05/73/561170573.db2.gz WWZQHVVTTAOFCZ-LBPRGKRZSA-N -1 1 371.420 2.353 20 0 FEADMM COC[C@](C)([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)C(F)(F)F ZINC000479153002 561182937 /nfs/dbraw/zinc/18/29/37/561182937.db2.gz RZGOGTYJYGJMQA-ZDUSSCGKSA-N -1 1 371.425 2.402 20 0 FEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479490439 561190567 /nfs/dbraw/zinc/19/05/67/561190567.db2.gz OWOHSMKKHUQFOI-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)NC(=O)CO3)[n-]c1=O ZINC000480028362 561201596 /nfs/dbraw/zinc/20/15/96/561201596.db2.gz FQTAKKRFUZTLFM-POHAHGRESA-N -1 1 355.350 2.250 20 0 FEADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(C)C ZINC000176664279 546473797 /nfs/dbraw/zinc/47/37/97/546473797.db2.gz RVICODIMHSHQTH-UONOGXRCSA-N -1 1 372.487 2.244 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1 ZINC000480858448 561218429 /nfs/dbraw/zinc/21/84/29/561218429.db2.gz TVAGIIQGSNCBAZ-VIFPVBQESA-N -1 1 358.341 2.409 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)N1Cc2ccccc2C1 ZINC000480960589 561221316 /nfs/dbraw/zinc/22/13/16/561221316.db2.gz XDIBQXVJHJKUKD-LLVKDONJSA-N -1 1 366.389 2.174 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)o1 ZINC000177516754 546634636 /nfs/dbraw/zinc/63/46/36/546634636.db2.gz AQCURXOLDHEKIY-GFCCVEGCSA-N -1 1 354.428 2.094 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000178111132 546740831 /nfs/dbraw/zinc/74/08/31/546740831.db2.gz QMCYCCPODUOPFP-IZEVZFMRSA-N -1 1 367.515 2.185 20 0 FEADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc2c(c1)CCC2 ZINC000178142974 546746071 /nfs/dbraw/zinc/74/60/71/546746071.db2.gz ZRLSJDSYTOJPPO-UHFFFAOYSA-N -1 1 363.460 2.306 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(-c4ncc[nH]4)cc3)cc2oc1=O ZINC000178189897 546755258 /nfs/dbraw/zinc/75/52/58/546755258.db2.gz HKQOUOJBECTABW-UHFFFAOYSA-N -1 1 370.390 2.322 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)on1 ZINC000481512054 561234767 /nfs/dbraw/zinc/23/47/67/561234767.db2.gz VBCREJJCMFXBIZ-GFCCVEGCSA-N -1 1 365.238 2.443 20 0 FEADMM CC[C@H](C)[C@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000178726748 546839448 /nfs/dbraw/zinc/83/94/48/546839448.db2.gz OBRMVDGNMPTTND-QPUJVOFHSA-N -1 1 363.195 2.134 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000481811341 561242944 /nfs/dbraw/zinc/24/29/44/561242944.db2.gz YKYYDVIKKNKIAK-UHFFFAOYSA-N -1 1 372.402 2.210 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cn1C ZINC000481965677 561246350 /nfs/dbraw/zinc/24/63/50/561246350.db2.gz UXOCXWSZAGCSEU-UHFFFAOYSA-N -1 1 374.365 2.256 20 0 FEADMM CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481980813 561246661 /nfs/dbraw/zinc/24/66/61/561246661.db2.gz YEAOGGDUFONGBK-UHFFFAOYSA-N -1 1 363.391 2.291 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000179540211 546974207 /nfs/dbraw/zinc/97/42/07/546974207.db2.gz BIILNFNQNIFRED-UHFFFAOYSA-N -1 1 360.844 2.326 20 0 FEADMM Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])no1 ZINC000180341579 547087933 /nfs/dbraw/zinc/08/79/33/547087933.db2.gz HTBJNXZGGUKCBC-UHFFFAOYSA-N -1 1 357.288 2.418 20 0 FEADMM CCn1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c2ccccc21 ZINC000181031916 547235598 /nfs/dbraw/zinc/23/55/98/547235598.db2.gz KEHTYYIDTFGBMX-UHFFFAOYSA-N -1 1 359.407 2.267 20 0 FEADMM CO[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000483122462 561268172 /nfs/dbraw/zinc/26/81/72/561268172.db2.gz CAKJCYPOZQUEAX-MAUKXSAKSA-N -1 1 368.433 2.397 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccnc1)c1ccc2ccccc2c1 ZINC000181817207 547386180 /nfs/dbraw/zinc/38/61/80/547386180.db2.gz NUYGWNWGDURCRX-QGZVFWFLSA-N -1 1 356.403 2.427 20 0 FEADMM CS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC000182016669 547422645 /nfs/dbraw/zinc/42/26/45/547422645.db2.gz OXVQJQNZOLPOIH-UHFFFAOYSA-N -1 1 360.313 2.462 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cc(-n3nnnc3C)ccc2F)c(C)o1 ZINC000182794366 547552869 /nfs/dbraw/zinc/55/28/69/547552869.db2.gz MFEVCSLWPXJKGG-UHFFFAOYSA-N -1 1 351.363 2.120 20 0 FEADMM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1O ZINC000484082759 561291091 /nfs/dbraw/zinc/29/10/91/561291091.db2.gz UGTCCPLYFZZFPH-UHFFFAOYSA-N -1 1 355.343 2.347 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484110299 561291664 /nfs/dbraw/zinc/29/16/64/561291664.db2.gz QPUBAUHHFMWFNI-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1ccc(Br)cc1)c1nn[n-]n1 ZINC000183400222 547650334 /nfs/dbraw/zinc/65/03/34/547650334.db2.gz GZOPPOIDCIHOIB-JTQLQIEISA-N -1 1 352.236 2.157 20 0 FEADMM Cc1ccc(OCc2cccc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2)cn1 ZINC000183414176 547654268 /nfs/dbraw/zinc/65/42/68/547654268.db2.gz XSZOMMNOVSADRR-CYBMUJFWSA-N -1 1 366.425 2.358 20 0 FEADMM C[C@H](CN(C)C(=O)CN(Cc1ccccc1)c1ccccc1)c1nn[n-]n1 ZINC000183431514 547657626 /nfs/dbraw/zinc/65/76/26/547657626.db2.gz AXWYIXZKIZXBOZ-MRXNPFEDSA-N -1 1 364.453 2.468 20 0 FEADMM CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C(=O)OC)c[n-]2)c1C ZINC000484573087 561300361 /nfs/dbraw/zinc/30/03/61/561300361.db2.gz VGCBKSMJTCMQRD-UHFFFAOYSA-N -1 1 365.411 2.293 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C2=NNC(=O)CC2)cc1 ZINC000484646263 561302257 /nfs/dbraw/zinc/30/22/57/561302257.db2.gz UHVSPPHTZHXHJH-UHFFFAOYSA-N -1 1 373.434 2.248 20 0 FEADMM C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC1(N2CCSCC2)CCCC1 ZINC000184199013 547786060 /nfs/dbraw/zinc/78/60/60/547786060.db2.gz CDPLREOHKFINSY-LLVKDONJSA-N -1 1 360.467 2.218 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000184967280 547909460 /nfs/dbraw/zinc/90/94/60/547909460.db2.gz KZGWUBKKJKLCHZ-CYBMUJFWSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N(C)C2CC2)cc(C(=O)[O-])c1Cl ZINC000184995644 547914582 /nfs/dbraw/zinc/91/45/82/547914582.db2.gz NIUDJCSRQZJNGC-JTQLQIEISA-N -1 1 360.863 2.108 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000185103820 547934358 /nfs/dbraw/zinc/93/43/58/547934358.db2.gz FOSBTMBVCOIABN-JOYOIKCWSA-N -1 1 372.874 2.250 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)[N-]c3c(F)cccc3CO)cc12 ZINC000185630495 548011590 /nfs/dbraw/zinc/01/15/90/548011590.db2.gz NBDRDHXDZVGTJA-UHFFFAOYSA-N -1 1 351.359 2.217 20 0 FEADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000485655114 561325008 /nfs/dbraw/zinc/32/50/08/561325008.db2.gz NJMGLPAKAXEJQS-OLZOCXBDSA-N -1 1 360.391 2.147 20 0 FEADMM Cc1[nH]c2c(cc(C)cc2CNC(=O)CNC(=O)c2ncccc2[O-])c1C ZINC000485965096 561333684 /nfs/dbraw/zinc/33/36/84/561333684.db2.gz HHPOESPROPDEIV-UHFFFAOYSA-N -1 1 366.421 2.240 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)CC2(O)CCCCCC2)c(=O)[n-]1 ZINC000186912914 548217946 /nfs/dbraw/zinc/21/79/46/548217946.db2.gz SSWNKSLJCDYWEM-UHFFFAOYSA-N -1 1 367.515 2.277 20 0 FEADMM COC(=O)[C@H](C)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486063194 561337146 /nfs/dbraw/zinc/33/71/46/561337146.db2.gz IOWGTCCXKGARDV-MRVPVSSYSA-N -1 1 367.199 2.242 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C)(C)CO)cc2)cc1 ZINC000192753121 548372631 /nfs/dbraw/zinc/37/26/31/548372631.db2.gz SDBWJNFFLMBEKF-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM CC(C)(NC(=O)c1nc2ccccc2cc1Br)c1nn[n-]n1 ZINC000486404209 561346346 /nfs/dbraw/zinc/34/63/46/561346346.db2.gz HJMCQPJRTULLOO-UHFFFAOYSA-N -1 1 361.203 2.176 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)c1F ZINC000194591846 548502484 /nfs/dbraw/zinc/50/24/84/548502484.db2.gz LQQSISXZCZSLDE-UHFFFAOYSA-N -1 1 365.430 2.095 20 0 FEADMM CC(C)c1noc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)n1 ZINC000195212445 548597726 /nfs/dbraw/zinc/59/77/26/548597726.db2.gz MFXJIECYBXHLAJ-UHFFFAOYSA-N -1 1 373.438 2.441 20 0 FEADMM CC(C)c1noc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000195212445 548597729 /nfs/dbraw/zinc/59/77/29/548597729.db2.gz MFXJIECYBXHLAJ-UHFFFAOYSA-N -1 1 373.438 2.441 20 0 FEADMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000195449544 548641788 /nfs/dbraw/zinc/64/17/88/548641788.db2.gz IQBXDAUMSCEJBE-UHFFFAOYSA-N -1 1 356.835 2.344 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)c2cc(I)ccc2[O-])CCO1 ZINC000220264273 548699454 /nfs/dbraw/zinc/69/94/54/548699454.db2.gz ZPFWEAVEXOYNLB-WPRPVWTQSA-N -1 1 361.179 2.294 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000237571714 548835611 /nfs/dbraw/zinc/83/56/11/548835611.db2.gz UKMHLCLXLPZTSN-HUUCEWRRSA-N -1 1 368.499 2.103 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2CC(C)C)o1 ZINC000529569085 562377734 /nfs/dbraw/zinc/37/77/34/562377734.db2.gz KFQMFNBHQSRQEB-UHFFFAOYSA-N -1 1 350.440 2.316 20 0 FEADMM CCNC(=O)C1(CNC(=O)c2ccc(Br)c([O-])c2)CCC1 ZINC000489359639 561408970 /nfs/dbraw/zinc/40/89/70/561408970.db2.gz MUQMILCUFZZETE-UHFFFAOYSA-N -1 1 355.232 2.191 20 0 FEADMM CCOC(=O)c1sc2[n-]c([C@@H](C)[N@H+](CC)CCCO)nc(=O)c2c1C ZINC000489383921 561409575 /nfs/dbraw/zinc/40/95/75/561409575.db2.gz BMKIQOUIAKISCG-LLVKDONJSA-N -1 1 367.471 2.235 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000248562635 549458727 /nfs/dbraw/zinc/45/87/27/549458727.db2.gz ODUYXRDITRNUCV-ULQDDVLXSA-N -1 1 364.486 2.266 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCN1c1ccccc1F ZINC000489739358 561418090 /nfs/dbraw/zinc/41/80/90/561418090.db2.gz LERBYOQTLCOBDA-ZDUSSCGKSA-N -1 1 370.352 2.188 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489988333 561424103 /nfs/dbraw/zinc/42/41/03/561424103.db2.gz FSFGQGNXAOUABV-SECBINFHSA-N -1 1 368.427 2.424 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490198777 561428589 /nfs/dbraw/zinc/42/85/89/561428589.db2.gz DOMXNEKHANVJAK-HZPDHXFCSA-N -1 1 353.422 2.360 20 0 FEADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000262223230 549800058 /nfs/dbraw/zinc/80/00/58/549800058.db2.gz XLELCYADFKQBOI-RTBURBONSA-N -1 1 352.434 2.463 20 0 FEADMM O=C([O-])CC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292430 549807283 /nfs/dbraw/zinc/80/72/83/549807283.db2.gz HRTXGNCOYDDGCR-STQMWFEESA-N -1 1 362.323 2.137 20 0 FEADMM Cc1coc(-c2ccc(C)c(NC(=O)CNC(=O)c3ncccc3[O-])c2)n1 ZINC000490612561 561436096 /nfs/dbraw/zinc/43/60/96/561436096.db2.gz VLWBLAFLJPYHMP-UHFFFAOYSA-N -1 1 366.377 2.428 20 0 FEADMM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000262814969 549852898 /nfs/dbraw/zinc/85/28/98/549852898.db2.gz DRLDRMJWGVKPJV-SFHVURJKSA-N -1 1 361.373 2.169 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000262861179 549856689 /nfs/dbraw/zinc/85/66/89/549856689.db2.gz ISGBSLHTYZIAGK-LJQANCHMSA-N -1 1 357.410 2.339 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])n[nH]2)cc1 ZINC000263060765 549874702 /nfs/dbraw/zinc/87/47/02/549874702.db2.gz SQJFOFHDMXXOQY-RVSPLBMKSA-N -1 1 355.394 2.411 20 0 FEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263136114 549880808 /nfs/dbraw/zinc/88/08/08/549880808.db2.gz DFEHQICNRMHCLF-MNOVXSKESA-N -1 1 355.232 2.430 20 0 FEADMM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000263153947 549881627 /nfs/dbraw/zinc/88/16/27/549881627.db2.gz UYDMXHLXNTXPFS-MNOVXSKESA-N -1 1 363.801 2.434 20 0 FEADMM COc1c(Cl)cc(Cl)cc1CN(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263414135 549900370 /nfs/dbraw/zinc/90/03/70/549900370.db2.gz MNEHFLWBCLEEAN-VIFPVBQESA-N -1 1 363.241 2.413 20 0 FEADMM CC(C)c1nc(CNC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263424872 549900403 /nfs/dbraw/zinc/90/04/03/549900403.db2.gz XPDHBDFWQQLQHY-AWEZNQCLSA-N -1 1 359.430 2.203 20 0 FEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263494315 549905178 /nfs/dbraw/zinc/90/51/78/549905178.db2.gz SGZDOEWSQNQCKI-ROUUACIJSA-N -1 1 361.486 2.444 20 0 FEADMM C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000263571883 549909733 /nfs/dbraw/zinc/90/97/33/549909733.db2.gz KAPBGMYAIGPAJF-WQAKAFBOSA-N -1 1 362.323 2.135 20 0 FEADMM Nc1nc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)nc(Nc2ccc(F)cc2)n1 ZINC000263579898 549910452 /nfs/dbraw/zinc/91/04/52/549910452.db2.gz VIOHQXYJAUERNY-BBATYDOGSA-N -1 1 372.404 2.023 20 0 FEADMM CSc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)n1 ZINC000263869971 549948168 /nfs/dbraw/zinc/94/81/68/549948168.db2.gz LSBWHNIGPQOEFR-SECBINFHSA-N -1 1 363.468 2.240 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc(C(=O)[O-])c1C ZINC000268329375 550050894 /nfs/dbraw/zinc/05/08/94/550050894.db2.gz AWOYQJSUWUAVKQ-UHFFFAOYSA-N -1 1 359.354 2.264 20 0 FEADMM Cc1nnc([C@@H]2CCCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)[nH]1 ZINC000268425776 550063667 /nfs/dbraw/zinc/06/36/67/550063667.db2.gz HJHSZGBKSLDMFB-GFCCVEGCSA-N -1 1 358.446 2.234 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(C4CCOCC4)n[nH]3)ccc2[nH]1 ZINC000268476994 550072802 /nfs/dbraw/zinc/07/28/02/550072802.db2.gz JXVBUEWEFGQBKZ-UHFFFAOYSA-N -1 1 374.422 2.358 20 0 FEADMM COCCC1(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCC1 ZINC000268558808 550086922 /nfs/dbraw/zinc/08/69/22/550086922.db2.gz OMBAREPTPOPVPE-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2cn[nH]c2-c2ccncc2)cn1 ZINC000269066601 550150625 /nfs/dbraw/zinc/15/06/25/550150625.db2.gz VXOBSBBDFFVPTD-UHFFFAOYSA-N -1 1 368.397 2.219 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2ccc(OC)c(F)c2)co1 ZINC000529849283 562388751 /nfs/dbraw/zinc/38/87/51/562388751.db2.gz FHDSUNCSIWBLDY-UHFFFAOYSA-N -1 1 370.402 2.001 20 0 FEADMM CCC(CC)(CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OC ZINC000269782121 550225029 /nfs/dbraw/zinc/22/50/29/550225029.db2.gz ACUQQJWWRYEUHX-UHFFFAOYSA-N -1 1 369.487 2.241 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCc2ccc(F)cc2)C2CC2)co1 ZINC000270056697 550246088 /nfs/dbraw/zinc/24/60/88/550246088.db2.gz NXYXOUJHHYOMBK-UHFFFAOYSA-N -1 1 366.414 2.174 20 0 FEADMM CC[C@@H](NC(=O)c1cncc([O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270078990 550247451 /nfs/dbraw/zinc/24/74/51/550247451.db2.gz DHXSQHKQZKQKDD-MSOLQXFVSA-N -1 1 351.410 2.485 20 0 FEADMM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)Nc1nnn[n-]1)OCC3 ZINC000270305308 550260443 /nfs/dbraw/zinc/26/04/43/550260443.db2.gz FMACIQCNSVGXPS-SFHVURJKSA-N -1 1 354.414 2.450 20 0 FEADMM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)Nc1nn[n-]n1)OCC3 ZINC000270305308 550260445 /nfs/dbraw/zinc/26/04/45/550260445.db2.gz FMACIQCNSVGXPS-SFHVURJKSA-N -1 1 354.414 2.450 20 0 FEADMM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1c(Cl)ccnc1Cl ZINC000271022907 550332993 /nfs/dbraw/zinc/33/29/93/550332993.db2.gz YZZXNFSJHUTBTI-JTQLQIEISA-N -1 1 369.270 2.252 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C3CCCCC3)[nH]n2)c1 ZINC000272182084 550427485 /nfs/dbraw/zinc/42/74/85/550427485.db2.gz ZLJWVQZEVKSRFO-UHFFFAOYSA-N -1 1 364.427 2.063 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C(=O)OC)C1 ZINC000272730217 550467596 /nfs/dbraw/zinc/46/75/96/550467596.db2.gz VBKFCUJCPYTMBD-CZUORRHYSA-N -1 1 371.389 2.112 20 0 FEADMM COc1ccc(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])cc1OC ZINC000273313105 550493989 /nfs/dbraw/zinc/49/39/89/550493989.db2.gz COEYAJRAZGKSCJ-CQSZACIVSA-N -1 1 363.439 2.125 20 0 FEADMM CCOC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000274550565 550543541 /nfs/dbraw/zinc/54/35/41/550543541.db2.gz HSGGXRVHSVZYDL-LLVKDONJSA-N -1 1 356.806 2.405 20 0 FEADMM COc1ccc(C(=O)CC(C)(C)CC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000274751473 550552036 /nfs/dbraw/zinc/55/20/36/550552036.db2.gz HKQWNZVOSRVRBF-ZDUSSCGKSA-N -1 1 373.457 2.460 20 0 FEADMM CC(C)(O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000274763528 550552961 /nfs/dbraw/zinc/55/29/61/550552961.db2.gz UDFIUODAYPCDLW-UHFFFAOYSA-N -1 1 358.204 2.167 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCSC[C@@H](C)C1 ZINC000276877122 550606234 /nfs/dbraw/zinc/60/62/34/550606234.db2.gz HZTRXWXKQPJTLF-LBPRGKRZSA-N -1 1 358.467 2.307 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)n1 ZINC000277642176 550695984 /nfs/dbraw/zinc/69/59/84/550695984.db2.gz HRGAZBWGVDALIP-CYBMUJFWSA-N -1 1 372.425 2.155 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)COc3ccc(C)cc3)CC2)n1 ZINC000277646841 550696130 /nfs/dbraw/zinc/69/61/30/550696130.db2.gz HYICMHPEUHSGQB-UHFFFAOYSA-N -1 1 372.425 2.075 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3cccc(F)c3)CC2)n1 ZINC000277655542 550697130 /nfs/dbraw/zinc/69/71/30/550697130.db2.gz IQQWBKWFJQBTLQ-UHFFFAOYSA-N -1 1 360.389 2.069 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000277657699 550697415 /nfs/dbraw/zinc/69/74/15/550697415.db2.gz IVESMZHKYVTYLH-UHFFFAOYSA-N -1 1 358.398 2.010 20 0 FEADMM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000277665462 550698569 /nfs/dbraw/zinc/69/85/69/550698569.db2.gz FVHMOBXNUUAYJP-WRWORJQWSA-N -1 1 370.215 2.431 20 0 FEADMM CCOc1cc(-c2nc(CC(=O)N[C@@H](C)COC)no2)cc(Cl)c1[O-] ZINC000277808481 550716658 /nfs/dbraw/zinc/71/66/58/550716658.db2.gz GLUZSSHXRFNEDR-VIFPVBQESA-N -1 1 369.805 2.188 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccccc1 ZINC000278221040 550762132 /nfs/dbraw/zinc/76/21/32/550762132.db2.gz LJSMFKRNGLSBPB-OAHLLOKOSA-N -1 1 351.428 2.047 20 0 FEADMM COC(=O)[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccsc1 ZINC000278714001 550814323 /nfs/dbraw/zinc/81/43/23/550814323.db2.gz KHCYHCCLXVEGRK-CQSZACIVSA-N -1 1 370.452 2.454 20 0 FEADMM Cc1cccc(C(=O)N[C@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C(C)C)c1 ZINC000279762156 550926310 /nfs/dbraw/zinc/92/63/10/550926310.db2.gz MBGCEONCEQYRNN-HEQHKCQXSA-N -1 1 365.437 2.043 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000279983648 550949616 /nfs/dbraw/zinc/94/96/16/550949616.db2.gz KCHGXBOEUHFYFT-OCCSQVGLSA-N -1 1 366.414 2.393 20 0 FEADMM COc1ccc(CN2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000280704152 551023439 /nfs/dbraw/zinc/02/34/39/551023439.db2.gz FWHUKQNQQMNKNN-UHFFFAOYSA-N -1 1 372.396 2.067 20 0 FEADMM CCOC(=O)[C@H](CCOC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000281036857 551056876 /nfs/dbraw/zinc/05/68/76/551056876.db2.gz CWGKHGRDHXFJNN-NSHDSACASA-N -1 1 351.296 2.141 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CCCCO)C1CC1 ZINC000496555296 561494502 /nfs/dbraw/zinc/49/45/02/561494502.db2.gz SQSVBELAXCSUKK-UHFFFAOYSA-N -1 1 370.453 2.249 20 0 FEADMM CSc1nc(C)c(CCC(=O)Oc2ccc3oc(=O)oc3c2)c(=O)[n-]1 ZINC000281683398 551130040 /nfs/dbraw/zinc/13/00/40/551130040.db2.gz FJJXVIMNGGYGEY-UHFFFAOYSA-N -1 1 362.363 2.450 20 0 FEADMM COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000497326988 561498442 /nfs/dbraw/zinc/49/84/42/561498442.db2.gz DFZBCABHMLCLLA-SNVBAGLBSA-N -1 1 374.256 2.275 20 0 FEADMM CC(C)Oc1c(NS(=O)(=O)C[C@@H]2CCCCO2)cccc1C(=O)[O-] ZINC000282003658 551168389 /nfs/dbraw/zinc/16/83/89/551168389.db2.gz NUVBNUVGFYDMFV-LBPRGKRZSA-N -1 1 357.428 2.483 20 0 FEADMM CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000497414847 561500568 /nfs/dbraw/zinc/50/05/68/561500568.db2.gz FFIKXTTUYYBNIY-ZWKOTPCHSA-N -1 1 362.433 2.406 20 0 FEADMM C[C@H](CN(C)C(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1nn[n-]n1 ZINC000282275015 551204678 /nfs/dbraw/zinc/20/46/78/551204678.db2.gz KQUFKMZVQZYTDV-SSDOTTSWSA-N -1 1 354.201 2.030 20 0 FEADMM Cc1ccc2c(CC(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)coc2c1C ZINC000282806268 551272598 /nfs/dbraw/zinc/27/25/98/551272598.db2.gz AVXJLCQBFNLQCY-ZDUSSCGKSA-N -1 1 354.410 2.410 20 0 FEADMM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282883654 551281294 /nfs/dbraw/zinc/28/12/94/551281294.db2.gz JVBYFLDYPLPMPS-JTQLQIEISA-N -1 1 355.225 2.354 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)on2)cc1 ZINC000282979360 551292480 /nfs/dbraw/zinc/29/24/80/551292480.db2.gz SXUCFOOJRMILTK-CYBMUJFWSA-N -1 1 353.382 2.081 20 0 FEADMM CCC(CC)(CCO)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000283698329 551411609 /nfs/dbraw/zinc/41/16/09/551411609.db2.gz XZNLKJUIXKXADB-UHFFFAOYSA-N -1 1 358.442 2.153 20 0 FEADMM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000497957490 561512366 /nfs/dbraw/zinc/51/23/66/561512366.db2.gz JUTIVYUAGCEXPX-RNFRBKRXSA-N -1 1 357.284 2.248 20 0 FEADMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OC)nc3)ccc21 ZINC000285094784 551703756 /nfs/dbraw/zinc/70/37/56/551703756.db2.gz LLMKRDHCVJZULT-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM O=S(=O)(CC[C@@H](O)c1ccccc1)c1nnc(Cc2cccs2)[n-]1 ZINC000285197953 551719292 /nfs/dbraw/zinc/71/92/92/551719292.db2.gz USOAPMFZPRMLAE-CQSZACIVSA-N -1 1 363.464 2.354 20 0 FEADMM O=S(=O)(CC[C@@H](O)c1ccccc1)c1nc(Cc2cccs2)n[n-]1 ZINC000285197953 551719294 /nfs/dbraw/zinc/71/92/94/551719294.db2.gz USOAPMFZPRMLAE-CQSZACIVSA-N -1 1 363.464 2.354 20 0 FEADMM O=S(=O)(CC[C@@H](O)c1ccccc1)c1n[n-]c(Cc2cccs2)n1 ZINC000285197953 551719295 /nfs/dbraw/zinc/71/92/95/551719295.db2.gz USOAPMFZPRMLAE-CQSZACIVSA-N -1 1 363.464 2.354 20 0 FEADMM Cc1nc([C@@H](C)NS(=O)(=O)c2cccc(Br)c2F)n[nH]1 ZINC000285355170 551743060 /nfs/dbraw/zinc/74/30/60/551743060.db2.gz LOBCDFAWDPTILV-ZCFIWIBFSA-N -1 1 363.212 2.054 20 0 FEADMM CCOc1cc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc(Cl)c1[O-] ZINC000285723149 551801511 /nfs/dbraw/zinc/80/15/11/551801511.db2.gz DLUYSVLHZFFZMH-SMDDNHRTSA-N -1 1 359.850 2.332 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2cccs2)c(Br)n1C ZINC000286401893 551883925 /nfs/dbraw/zinc/88/39/25/551883925.db2.gz FJRSRFBTJIAIIT-UHFFFAOYSA-N -1 1 364.290 2.074 20 0 FEADMM C[C@H]1CCN(C(=O)NCc2cccnc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000286444265 551885994 /nfs/dbraw/zinc/88/59/94/551885994.db2.gz OLBXEZZQEJNXGY-GVXVVHGQSA-N -1 1 358.364 2.069 20 0 FEADMM C[C@H](O)[C@](C)(CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)Cc1ccccc1 ZINC000287108850 551964604 /nfs/dbraw/zinc/96/46/04/551964604.db2.gz JQWICIFAYGRMGD-CCAVSCIZSA-N -1 1 367.453 2.093 20 0 FEADMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287149751 551969715 /nfs/dbraw/zinc/96/97/15/551969715.db2.gz LTTFCXVCGIUGOY-HVZOAJPKSA-N -1 1 357.389 2.379 20 0 FEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287175116 551972966 /nfs/dbraw/zinc/97/29/66/551972966.db2.gz NEDFCNHVIOQRBP-JUZVTGPSSA-N -1 1 355.446 2.484 20 0 FEADMM COc1cccc(N2CC[C@@H](CNC(=O)C(=O)c3ccc([O-])cc3)C2)c1 ZINC000287460426 552006845 /nfs/dbraw/zinc/00/68/45/552006845.db2.gz BQFVGQZDURMVFD-AWEZNQCLSA-N -1 1 354.406 2.226 20 0 FEADMM COc1ccc(COCCCNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287511521 552013748 /nfs/dbraw/zinc/01/37/48/552013748.db2.gz HPWUIFLYNJKWDZ-QJOMJCCJSA-N -1 1 369.425 2.079 20 0 FEADMM Cc1ccccc1[C@@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(C)C ZINC000287717673 552037816 /nfs/dbraw/zinc/03/78/16/552037816.db2.gz RJCOUQOODWQZPU-HEQHKCQXSA-N -1 1 365.437 2.102 20 0 FEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000499502669 561552561 /nfs/dbraw/zinc/55/25/61/561552561.db2.gz KWUROCAVXHTPPK-UHFFFAOYSA-N -1 1 370.427 2.151 20 0 FEADMM CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000288648364 552191563 /nfs/dbraw/zinc/19/15/63/552191563.db2.gz ALUCHCALWXTFTO-AWEZNQCLSA-N -1 1 356.488 2.400 20 0 FEADMM O=C(NCCCOCCOCc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000288751541 552205931 /nfs/dbraw/zinc/20/59/31/552205931.db2.gz WTYNKNXPMHALFB-UHFFFAOYSA-N -1 1 357.406 2.315 20 0 FEADMM O=C(CN1CCCC[C@H]1c1nc(=O)[n-][nH]1)Nc1ccc(F)c(Cl)c1 ZINC000289337530 552303489 /nfs/dbraw/zinc/30/34/89/552303489.db2.gz LNJLJSAUXAEPDM-LBPRGKRZSA-N -1 1 353.785 2.056 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)OC ZINC000500375822 561571067 /nfs/dbraw/zinc/57/10/67/561571067.db2.gz CJFROZHFVPPJEI-LBPRGKRZSA-N -1 1 368.224 2.208 20 0 FEADMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2F)no1 ZINC000289453865 552324521 /nfs/dbraw/zinc/32/45/21/552324521.db2.gz GFVXPZUUXZYBNN-SECBINFHSA-N -1 1 361.370 2.312 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1)C(F)(F)F ZINC000289804160 552381341 /nfs/dbraw/zinc/38/13/41/552381341.db2.gz ILABYSLHSTUEAS-JTQLQIEISA-N -1 1 373.331 2.338 20 0 FEADMM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500572831 561577173 /nfs/dbraw/zinc/57/71/73/561577173.db2.gz IXRQIGJDIUFNHD-LBPRGKRZSA-N -1 1 368.484 2.105 20 0 FEADMM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500572831 561577174 /nfs/dbraw/zinc/57/71/74/561577174.db2.gz IXRQIGJDIUFNHD-LBPRGKRZSA-N -1 1 368.484 2.105 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000500582429 561577435 /nfs/dbraw/zinc/57/74/35/561577435.db2.gz XQMXLCXGJWCMET-UHFFFAOYSA-N -1 1 370.390 2.085 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)[n-]1 ZINC000500582429 561577436 /nfs/dbraw/zinc/57/74/36/561577436.db2.gz XQMXLCXGJWCMET-UHFFFAOYSA-N -1 1 370.390 2.085 20 0 FEADMM COC(=O)c1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290259486 552449723 /nfs/dbraw/zinc/44/97/23/552449723.db2.gz APMBRRWSWXBFQL-LLVKDONJSA-N -1 1 372.343 2.004 20 0 FEADMM Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290280179 552453372 /nfs/dbraw/zinc/45/33/72/552453372.db2.gz DCVANAZTPUWBSL-LBPRGKRZSA-N -1 1 374.407 2.477 20 0 FEADMM O=C(Cc1ccc(F)c(F)c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290324500 552460172 /nfs/dbraw/zinc/46/01/72/552460172.db2.gz IUPLHUMVIZVHES-NSHDSACASA-N -1 1 364.314 2.424 20 0 FEADMM CC(C)Oc1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000290500454 552488986 /nfs/dbraw/zinc/48/89/86/552488986.db2.gz HOTZIHBAIRZFGY-UHFFFAOYSA-N -1 1 350.396 2.297 20 0 FEADMM CC(C)n1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000290640697 552511811 /nfs/dbraw/zinc/51/18/11/552511811.db2.gz JLGCUNYNIJCDQV-LLVKDONJSA-N -1 1 361.368 2.386 20 0 FEADMM CCC[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccc(Cl)c1 ZINC000530262333 562404562 /nfs/dbraw/zinc/40/45/62/562404562.db2.gz OIZYLTPRIHWHOB-LLVKDONJSA-N -1 1 356.835 2.384 20 0 FEADMM CCC[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccc(Cl)c1 ZINC000530262333 562404563 /nfs/dbraw/zinc/40/45/63/562404563.db2.gz OIZYLTPRIHWHOB-LLVKDONJSA-N -1 1 356.835 2.384 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2noc3c2CCCCC3)C1)C(F)(F)F ZINC000291093314 552585797 /nfs/dbraw/zinc/58/57/97/552585797.db2.gz KYQNHNUXTCGIKI-LLVKDONJSA-N -1 1 373.375 2.474 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000291120313 552589338 /nfs/dbraw/zinc/58/93/38/552589338.db2.gz CLJJTVVENVICDV-RKDXNWHRSA-N -1 1 351.346 2.059 20 0 FEADMM COCc1ccccc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291234449 552604241 /nfs/dbraw/zinc/60/42/41/552604241.db2.gz XBXDVKZYUWAGMP-LBPRGKRZSA-N -1 1 358.360 2.364 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(C(C)(C)O)s1 ZINC000291877368 552671054 /nfs/dbraw/zinc/67/10/54/552671054.db2.gz IBTNVPPIWHSRSP-UHFFFAOYSA-N -1 1 369.468 2.384 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2csc(C)n2)c1 ZINC000291877778 552671072 /nfs/dbraw/zinc/67/10/72/552671072.db2.gz GVDFVOYCUWJICA-UHFFFAOYSA-N -1 1 369.468 2.027 20 0 FEADMM Cc1nn(C)c2ncc(CN3CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]3C)cc12 ZINC000292090033 552692771 /nfs/dbraw/zinc/69/27/71/552692771.db2.gz GSVIBFMCKTUEIB-BXUZGUMPSA-N -1 1 369.391 2.308 20 0 FEADMM CCOCc1nc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)no1 ZINC000292093583 552692932 /nfs/dbraw/zinc/69/29/32/552692932.db2.gz NZILYYGWFKRSMY-JTQLQIEISA-N -1 1 363.418 2.199 20 0 FEADMM Cc1cnccc1CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000292150750 552698602 /nfs/dbraw/zinc/69/86/02/552698602.db2.gz CHKHEXJTIDDWJN-WBIUFABUSA-N -1 1 357.376 2.237 20 0 FEADMM C[C@H]1CCN(C(=O)COc2ccccc2O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000292280831 552711892 /nfs/dbraw/zinc/71/18/92/552711892.db2.gz MICGGLAISSRRLL-PGUXBMHVSA-N -1 1 374.359 2.075 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCCc2ccccc2F)c(C(F)(F)F)n1 ZINC000293061287 552785099 /nfs/dbraw/zinc/78/50/99/552785099.db2.gz LDXWLSLKDARUTG-UHFFFAOYSA-N -1 1 365.352 2.489 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000293837975 552861280 /nfs/dbraw/zinc/86/12/80/552861280.db2.gz WHQKJZXUTNELBZ-QMMMGPOBSA-N -1 1 365.377 2.394 20 0 FEADMM O=C([N-]c1nnc(C2CCOCC2)s1)c1ncn(-c2ccccc2)n1 ZINC000293988956 552873071 /nfs/dbraw/zinc/87/30/71/552873071.db2.gz CIFIWFVFCQQDJM-UHFFFAOYSA-N -1 1 356.411 2.265 20 0 FEADMM C[C@H]1CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CCN(C2CC2)C1 ZINC000295230657 552972839 /nfs/dbraw/zinc/97/28/39/552972839.db2.gz BOXNNIHUUDEBPX-CYBMUJFWSA-N -1 1 358.417 2.273 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc(Cl)c1[O-] ZINC000295918870 553075780 /nfs/dbraw/zinc/07/57/80/553075780.db2.gz CWHNFDSVPDBYLC-ZDUSSCGKSA-N -1 1 356.850 2.021 20 0 FEADMM Cc1cccc(C)c1CS(=O)(=O)[N-]c1cn(C)nc1-c1cnn(C)c1 ZINC000295934285 553077726 /nfs/dbraw/zinc/07/77/26/553077726.db2.gz KNLRMXFYHQEQGK-UHFFFAOYSA-N -1 1 359.455 2.379 20 0 FEADMM C[C@@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1cccc(C2CC2)c1 ZINC000296218526 553124351 /nfs/dbraw/zinc/12/43/51/553124351.db2.gz MROCRZGZCKFHGM-CPYRSNOYSA-N -1 1 363.421 2.035 20 0 FEADMM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000296333257 553143183 /nfs/dbraw/zinc/14/31/83/553143183.db2.gz PKYQBMDRRXKKEE-LBPRGKRZSA-N -1 1 362.455 2.212 20 0 FEADMM COc1ccc(NC(=O)NCC2(OC)CCCC2)cc1[N-]S(C)(=O)=O ZINC000296725451 553203339 /nfs/dbraw/zinc/20/33/39/553203339.db2.gz FFQYCOSEMCQMOW-UHFFFAOYSA-N -1 1 371.459 2.147 20 0 FEADMM CC[C@H](C)[C@H](CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)OC ZINC000296956318 553234915 /nfs/dbraw/zinc/23/49/15/553234915.db2.gz PYQHIFXVQWPIQD-NHYWBVRUSA-N -1 1 373.475 2.249 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)n2)o1 ZINC000503219073 561636902 /nfs/dbraw/zinc/63/69/02/561636902.db2.gz LSBCBWATXJAYQV-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cn3ccsc3n2)c(=O)[n-]1 ZINC000298274068 553406898 /nfs/dbraw/zinc/40/68/98/553406898.db2.gz JIBQSGVLXDWXNA-UHFFFAOYSA-N -1 1 363.468 2.171 20 0 FEADMM COc1ccc(-c2cc3[n-]c(CN(C)CCC(N)=O)nc(=O)c3s2)cc1 ZINC000298556541 553439946 /nfs/dbraw/zinc/43/99/46/553439946.db2.gz OTXQYFHOPPBUAP-UHFFFAOYSA-N -1 1 372.450 2.380 20 0 FEADMM CN(C)C(=O)C1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000298754240 553468633 /nfs/dbraw/zinc/46/86/33/553468633.db2.gz VUOKTHYQGQKUQN-UHFFFAOYSA-N -1 1 364.829 2.452 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2noc3c2CCCC3)s1 ZINC000299107789 553516534 /nfs/dbraw/zinc/51/65/34/553516534.db2.gz JBMZCGIXTJIMMC-UHFFFAOYSA-N -1 1 368.440 2.312 20 0 FEADMM COc1ccccc1C1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000299499784 553572109 /nfs/dbraw/zinc/57/21/09/553572109.db2.gz CNGIXCPDLKMSIN-UHFFFAOYSA-N -1 1 355.847 2.092 20 0 FEADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000299627179 553591004 /nfs/dbraw/zinc/59/10/04/553591004.db2.gz FWRGYNDWHMIYIX-ZBFHGGJFSA-N -1 1 350.390 2.252 20 0 FEADMM Cc1nc(-c2ccc(NC[C@@H]3CC(=O)N(C4CC4)C3)nc2)[n-]c(=O)c1C ZINC000302023514 553698838 /nfs/dbraw/zinc/69/88/38/553698838.db2.gz JKWYPMOEJYUJOX-ZDUSSCGKSA-N -1 1 353.426 2.284 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC)c1ccc(C)cc1 ZINC000324463261 553772387 /nfs/dbraw/zinc/77/23/87/553772387.db2.gz IZEWAPYFNZAWGS-CQSZACIVSA-N -1 1 351.428 2.324 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000325778571 553777730 /nfs/dbraw/zinc/77/77/30/553777730.db2.gz LSFIPMIKLSBJKP-HNNXBMFYSA-N -1 1 357.472 2.414 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)c1 ZINC000326501116 553781187 /nfs/dbraw/zinc/78/11/87/553781187.db2.gz PHZFVEXEMYFURH-UHFFFAOYSA-N -1 1 356.407 2.330 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1C(=O)[O-] ZINC000326920138 553784588 /nfs/dbraw/zinc/78/45/88/553784588.db2.gz REENHXZNYILRJZ-UHFFFAOYSA-N -1 1 360.395 2.397 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000327954811 553792376 /nfs/dbraw/zinc/79/23/76/553792376.db2.gz SQUYIIBGDZAOEA-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CSc1cc2c(cc1[N-]C(=O)c1nc3nc(C)cc(C)n3n1)OCCO2 ZINC000505865788 561683303 /nfs/dbraw/zinc/68/33/03/561683303.db2.gz GWXJRLVTAOCPLS-UHFFFAOYSA-N -1 1 371.422 2.487 20 0 FEADMM Cn1[n-]c(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)nc1=O ZINC000329305750 553921782 /nfs/dbraw/zinc/92/17/82/553921782.db2.gz YJHJHJWWKNLRMC-GFCCVEGCSA-N -1 1 361.204 2.128 20 0 FEADMM O=C(CN1CCN(Cc2cccc([O-])c2Cl)CC1)N1CCCCC1 ZINC000507047716 561715511 /nfs/dbraw/zinc/71/55/11/561715511.db2.gz JLNQZQJCYGNOAE-UHFFFAOYSA-N -1 1 351.878 2.176 20 0 FEADMM Cc1ccncc1N1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000329809171 554009673 /nfs/dbraw/zinc/00/96/73/554009673.db2.gz AYWGIVYUMWOQLW-UHFFFAOYSA-N -1 1 369.469 2.454 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1F ZINC000507648595 561736710 /nfs/dbraw/zinc/73/67/10/561736710.db2.gz GZEYUMLICRDCOZ-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](C)O1 ZINC000330511644 554131381 /nfs/dbraw/zinc/13/13/81/554131381.db2.gz JIBYBYKMZXTMAY-CLLJXQQHSA-N -1 1 372.487 2.290 20 0 FEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@@H](CC)C(F)(F)F)c1 ZINC000508210468 561755432 /nfs/dbraw/zinc/75/54/32/561755432.db2.gz VPMXBAHCEJVTED-LBPRGKRZSA-N -1 1 369.361 2.491 20 0 FEADMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000508223058 561755857 /nfs/dbraw/zinc/75/58/57/561755857.db2.gz PCELBHJLRDKSCI-UHFFFAOYSA-N -1 1 370.406 2.037 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)c3nc(C)ncc3Cl)[n-][nH]2)cc1OC ZINC000607909388 554182565 /nfs/dbraw/zinc/18/25/65/554182565.db2.gz ZIEVMCUSIJGXTD-UHFFFAOYSA-N -1 1 374.788 2.493 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCC1(c2ccc(Cl)cc2)CC1 ZINC000508394218 561761110 /nfs/dbraw/zinc/76/11/10/561761110.db2.gz KUZUUTFPMKQADX-UHFFFAOYSA-N -1 1 359.813 2.018 20 0 FEADMM CN(CCc1cccc2ccccc21)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508395216 561761195 /nfs/dbraw/zinc/76/11/95/561761195.db2.gz QSPLCXGHWUMYAR-UHFFFAOYSA-N -1 1 363.417 2.371 20 0 FEADMM COc1cc(C(=O)N2CCC(Cn3cncn3)CC2)cc(Cl)c1[O-] ZINC000331269649 554239186 /nfs/dbraw/zinc/23/91/86/554239186.db2.gz JZTWULYDOLTULA-UHFFFAOYSA-N -1 1 350.806 2.198 20 0 FEADMM CCOCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508936096 561778585 /nfs/dbraw/zinc/77/85/85/561778585.db2.gz VHVOWVBKLHYAOW-UHFFFAOYSA-N -1 1 370.254 2.485 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cccc3c2OCO3)n(-c2ccncc2)n1 ZINC000509204262 561789950 /nfs/dbraw/zinc/78/99/50/561789950.db2.gz VVUJBZKYMUWCII-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)s1 ZINC000331765106 554322618 /nfs/dbraw/zinc/32/26/18/554322618.db2.gz CASCUPAINGQGEY-NXEZZACHSA-N -1 1 352.416 2.267 20 0 FEADMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000331838501 554327826 /nfs/dbraw/zinc/32/78/26/554327826.db2.gz FTDMTRBTHPLRRC-LLVKDONJSA-N -1 1 352.250 2.118 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509261768 561792693 /nfs/dbraw/zinc/79/26/93/561792693.db2.gz DILLLGKDLGGOSY-VIFPVBQESA-N -1 1 353.325 2.227 20 0 FEADMM CC(=O)N[C@@H](CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccc(C)cc1 ZINC000509261072 561792746 /nfs/dbraw/zinc/79/27/46/561792746.db2.gz AOEGKKGWSLTWFG-INIZCTEOSA-N -1 1 372.425 2.057 20 0 FEADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000509393214 561797515 /nfs/dbraw/zinc/79/75/15/561797515.db2.gz XGBPXNUCBGIARH-UHFFFAOYSA-N -1 1 369.402 2.064 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)o1 ZINC000332020504 554365060 /nfs/dbraw/zinc/36/50/60/554365060.db2.gz SHOVVXUJOGEPSA-WDEREUQCSA-N -1 1 366.414 2.475 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCOc2c1cccc2C(C)(C)C ZINC000332064627 554372562 /nfs/dbraw/zinc/37/25/62/554372562.db2.gz RFAJSSQDISSFRX-UHFFFAOYSA-N -1 1 351.428 2.450 20 0 FEADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cccc(-n2cnnn2)c1 ZINC000509609621 561807260 /nfs/dbraw/zinc/80/72/60/561807260.db2.gz HFKVAVSWJFJABI-UHFFFAOYSA-N -1 1 351.338 2.401 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](O)C[C@@H]3C)cc2)cc1 ZINC000332443314 554446758 /nfs/dbraw/zinc/44/67/58/554446758.db2.gz BQQPMASSOHLCGM-WMLDXEAASA-N -1 1 374.462 2.391 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ncccc2OCC(F)(F)F)n1 ZINC000510020283 561822170 /nfs/dbraw/zinc/82/21/70/561822170.db2.gz LDUDZJXXMVJUKB-UHFFFAOYSA-N -1 1 358.276 2.175 20 0 FEADMM COc1cccc(-c2nc(=NC(=O)N3CCN(C)[C@H](C)[C@@H]3C)s[n-]2)c1 ZINC000332672944 554494571 /nfs/dbraw/zinc/49/45/71/554494571.db2.gz NKTWTBDNRWHIKN-NEPJUHHUSA-N -1 1 361.471 2.192 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510473071 561835727 /nfs/dbraw/zinc/83/57/27/561835727.db2.gz PBPHYTPIVGAQDW-HNNXBMFYSA-N -1 1 363.863 2.074 20 0 FEADMM Cc1ccccc1-c1nsc(N2CCN(c3nc(=N)[n-]s3)CC2)n1 ZINC000527921078 562308429 /nfs/dbraw/zinc/30/84/29/562308429.db2.gz SYJSAFKATOYPBV-UHFFFAOYSA-N -1 1 359.484 2.274 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3nccc4ccccc43)no2)co1 ZINC000349653990 554736163 /nfs/dbraw/zinc/73/61/63/554736163.db2.gz ZPIVOSGDULDRGM-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM CO[C@](C)(c1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1)C1CC1 ZINC000350456436 554789934 /nfs/dbraw/zinc/78/99/34/554789934.db2.gz STLQOUSKJXXCGM-IBGZPJMESA-N -1 1 367.409 2.386 20 0 FEADMM C[C@]1(c2cccc(-c3noc(-c4ccc([O-])cc4F)n3)c2)NC(=O)NC1=O ZINC000350573453 554798831 /nfs/dbraw/zinc/79/88/31/554798831.db2.gz GPPANJAPBGRKRW-GOSISDBHSA-N -1 1 368.324 2.303 20 0 FEADMM CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000511244397 561862597 /nfs/dbraw/zinc/86/25/97/561862597.db2.gz ZBOAKNCQMUWISV-UHFFFAOYSA-N -1 1 361.379 2.172 20 0 FEADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(Cl)cc2C)no1 ZINC000350918475 554822422 /nfs/dbraw/zinc/82/24/22/554822422.db2.gz VNMLQECDTPSKFQ-UHFFFAOYSA-N -1 1 373.862 2.078 20 0 FEADMM COCc1cccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000360469101 554876089 /nfs/dbraw/zinc/87/60/89/554876089.db2.gz YVXFCXLIALEZKC-UHFFFAOYSA-N -1 1 364.405 2.468 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]CC(F)(F)c1cccc(OC)n1 ZINC000511413595 561868565 /nfs/dbraw/zinc/86/85/65/561868565.db2.gz LPZMXRHYVQSOLM-UHFFFAOYSA-N -1 1 364.395 2.231 20 0 FEADMM O=C1C[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccc2N1 ZINC000362861789 554994205 /nfs/dbraw/zinc/99/42/05/554994205.db2.gz PDMRWICTIWPQDX-SNVBAGLBSA-N -1 1 352.362 2.369 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nnc2n1CCCCC2 ZINC000363022106 555012300 /nfs/dbraw/zinc/01/23/00/555012300.db2.gz MEEIMMQKOXYTGI-UHFFFAOYSA-N -1 1 358.446 2.036 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363229280 555059552 /nfs/dbraw/zinc/05/95/52/555059552.db2.gz BVUCQTLANRBPMY-GOSISDBHSA-N -1 1 371.400 2.365 20 0 FEADMM CCOC(=O)C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1 ZINC000511915813 561885265 /nfs/dbraw/zinc/88/52/65/561885265.db2.gz JGIKBFVYJGJYIR-HNNXBMFYSA-N -1 1 368.393 2.098 20 0 FEADMM CCCOc1ccc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000511954678 561886693 /nfs/dbraw/zinc/88/66/93/561886693.db2.gz LFBMBHLLSGKXOF-UHFFFAOYSA-N -1 1 370.409 2.401 20 0 FEADMM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000511986852 561888020 /nfs/dbraw/zinc/88/80/20/561888020.db2.gz ZCWVHJYFYMGRLD-MRXNPFEDSA-N -1 1 352.394 2.490 20 0 FEADMM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363587549 555142529 /nfs/dbraw/zinc/14/25/29/555142529.db2.gz ROPGGLPJPBHYSC-CZUORRHYSA-N -1 1 358.446 2.178 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC([C@H]3CCOC3)CC2)c(=O)[n-]1 ZINC000363745579 555177408 /nfs/dbraw/zinc/17/74/08/555177408.db2.gz JDMRFJYXZGSUCS-AWEZNQCLSA-N -1 1 365.499 2.420 20 0 FEADMM O=C(NC1CCC(O)(c2ccccc2)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000363907263 555210926 /nfs/dbraw/zinc/21/09/26/555210926.db2.gz JCMFOVZYZUHQDI-UHFFFAOYSA-N -1 1 363.417 2.483 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc(C(=O)[O-])c1C ZINC000364117588 555252972 /nfs/dbraw/zinc/25/29/72/555252972.db2.gz AEYJMDWHGCRLJB-CQSZACIVSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2COCCN2C2CCCC2)c1Br ZINC000616009516 555262998 /nfs/dbraw/zinc/26/29/98/555262998.db2.gz WFWATAPSEYJLHO-LLVKDONJSA-N -1 1 357.252 2.063 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cnn(C)c2C(F)(F)F)c1Br ZINC000616012455 555263354 /nfs/dbraw/zinc/26/33/54/555263354.db2.gz KFGBBKWLVZJUJL-UHFFFAOYSA-N -1 1 352.114 2.485 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000364800587 555406605 /nfs/dbraw/zinc/40/66/05/555406605.db2.gz OGMOEXQUCCBIJD-UHFFFAOYSA-N -1 1 369.347 2.036 20 0 FEADMM CC(C)c1nc(=NCCCNS(=O)(=O)c2ccccc2Cl)o[n-]1 ZINC000513083217 561924733 /nfs/dbraw/zinc/92/47/33/561924733.db2.gz NVFHYPPAXGDPMG-UHFFFAOYSA-N -1 1 358.851 2.049 20 0 FEADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000365960485 555711736 /nfs/dbraw/zinc/71/17/36/555711736.db2.gz CIDUEKDVAOOXMN-MRXNPFEDSA-N -1 1 373.432 2.432 20 0 FEADMM Cc1cccnc1C1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000366069790 555742935 /nfs/dbraw/zinc/74/29/35/555742935.db2.gz VGJULWOIGGWKLY-UHFFFAOYSA-N -1 1 365.437 2.146 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2cccc3cccnc32)c1 ZINC000513801252 561950563 /nfs/dbraw/zinc/95/05/63/561950563.db2.gz RSKKKCOMMXYVBB-UHFFFAOYSA-N -1 1 360.391 2.135 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)c1 ZINC000513791048 561949902 /nfs/dbraw/zinc/94/99/02/561949902.db2.gz IQEZUOWXNYERGK-UHFFFAOYSA-N -1 1 360.391 2.135 20 0 FEADMM CCc1ccc([C@H](CNC(=O)N=c2ccc(C(=O)OC)n[n-]2)N(C)C)cc1 ZINC000619627392 555812534 /nfs/dbraw/zinc/81/25/34/555812534.db2.gz FVDGQLMQQBYIFO-INIZCTEOSA-N -1 1 371.441 2.250 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)c1 ZINC000513846304 561952306 /nfs/dbraw/zinc/95/23/06/561952306.db2.gz LGAOVPUVNJFUPE-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](OC)c2cccc(Cl)c2)c1 ZINC000513851270 561952511 /nfs/dbraw/zinc/95/25/11/561952511.db2.gz LWINRMZCGDDXFK-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)co1 ZINC000366814837 555941741 /nfs/dbraw/zinc/94/17/41/555941741.db2.gz NKWJVWMWIOOSBV-AWEZNQCLSA-N -1 1 370.377 2.443 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000366908566 555966257 /nfs/dbraw/zinc/96/62/57/555966257.db2.gz DKZTYVOPWOKGPE-QCPWZWHMSA-N -1 1 355.438 2.325 20 0 FEADMM Cc1nnc2n1C[C@H](N=c1nc(C(Cl)(Cl)Cl)[n-]s1)CC2 ZINC000367331385 556020692 /nfs/dbraw/zinc/02/06/92/556020692.db2.gz FMBIPAMQXLWKMO-ZCFIWIBFSA-N -1 1 353.666 2.114 20 0 FEADMM O=C1CC[C@@H](N=c2nc(C(Cl)(Cl)Cl)[n-]s2)[C@@H](C2CC2)N1 ZINC000367419256 556043267 /nfs/dbraw/zinc/04/32/67/556043267.db2.gz NAMMVWFTKPGJBN-HTRCEHHLSA-N -1 1 355.678 2.256 20 0 FEADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000367935707 556176702 /nfs/dbraw/zinc/17/67/02/556176702.db2.gz QPPOFUFCJAUDMV-UHFFFAOYSA-N -1 1 371.418 2.006 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000368152396 556231098 /nfs/dbraw/zinc/23/10/98/556231098.db2.gz PVOBDPGMTODRDF-AAEUAGOBSA-N -1 1 371.817 2.237 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000368470034 556318992 /nfs/dbraw/zinc/31/89/92/556318992.db2.gz KCYRPTAGJMCIPJ-KRWDZBQOSA-N -1 1 365.437 2.337 20 0 FEADMM COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cc1F ZINC000368536000 556338361 /nfs/dbraw/zinc/33/83/61/556338361.db2.gz CEFSXHODKWCLPW-UHFFFAOYSA-N -1 1 373.315 2.274 20 0 FEADMM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n[n-]1 ZINC000368796604 556415253 /nfs/dbraw/zinc/41/52/53/556415253.db2.gz ZPLKHXMMCZWWDV-QMMMGPOBSA-N -1 1 351.363 2.146 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCn3cncn3)c2)c1 ZINC000515838947 562023483 /nfs/dbraw/zinc/02/34/83/562023483.db2.gz ZQXHEDZRFJOFMR-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@H](n3ncc4ccccc43)C1)c2=O ZINC000369234558 556543813 /nfs/dbraw/zinc/54/38/13/556543813.db2.gz DFBRKGBAHGUVRX-ZDUSSCGKSA-N -1 1 362.393 2.111 20 0 FEADMM Cc1nc([C@H]2COCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])no1 ZINC000369444325 556601792 /nfs/dbraw/zinc/60/17/92/556601792.db2.gz UJPDSUDNRDXFKP-LLVKDONJSA-N -1 1 357.288 2.316 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(=O)[n-]1 ZINC000369589819 556640365 /nfs/dbraw/zinc/64/03/65/556640365.db2.gz AFSPYINABNQFCN-BPLDGKMQSA-N -1 1 365.499 2.417 20 0 FEADMM CN(C)C1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)Cc2ccccc2C1 ZINC000369591063 556641148 /nfs/dbraw/zinc/64/11/48/556641148.db2.gz IQWGKPHCKAYOTQ-UHFFFAOYSA-N -1 1 364.405 2.068 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000516475698 562044287 /nfs/dbraw/zinc/04/42/87/562044287.db2.gz IXLKNDMTRDUBKE-UHFFFAOYSA-N -1 1 360.501 2.155 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3ccccc3Br)ccnc1-2 ZINC000806485067 674378846 /nfs/dbraw/zinc/37/88/46/674378846.db2.gz MUQCJTBBCUKVNQ-UHFFFAOYSA-N -1 1 360.215 2.426 20 0 FEADMM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000370705025 556945265 /nfs/dbraw/zinc/94/52/65/556945265.db2.gz DCZOARFXJQYJRJ-CMPLNLGQSA-N -1 1 361.316 2.204 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NC[C@@](C)(O)c3cccc(Cl)c3)ccnc1-2 ZINC000806487680 674378897 /nfs/dbraw/zinc/37/88/97/674378897.db2.gz CNFFSHOFAYYRGR-QGZVFWFLSA-N -1 1 359.817 2.024 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@@H]2c2ccco2)c(=O)[n-]1 ZINC000370912369 557011948 /nfs/dbraw/zinc/01/19/48/557011948.db2.gz SXLPABBQKBEDBO-CYBMUJFWSA-N -1 1 363.439 2.338 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000371342721 557153459 /nfs/dbraw/zinc/15/34/59/557153459.db2.gz ZCEBVGAIZGROJL-CQSZACIVSA-N -1 1 365.311 2.119 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)o1 ZINC000517413061 562089619 /nfs/dbraw/zinc/08/96/19/562089619.db2.gz SFQBMEGLFCKQJY-UHFFFAOYSA-N -1 1 373.427 2.417 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCC2=O)c1 ZINC000517675438 562095198 /nfs/dbraw/zinc/09/51/98/562095198.db2.gz VNNOAQZTHZQRJQ-UHFFFAOYSA-N -1 1 366.420 2.292 20 0 FEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000517942687 562101270 /nfs/dbraw/zinc/10/12/70/562101270.db2.gz CLOOFBKRGZRSMH-MOPGFXCFSA-N -1 1 352.434 2.293 20 0 FEADMM C[C@H]1CC(=O)NCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000371788788 557293426 /nfs/dbraw/zinc/29/34/26/557293426.db2.gz AJPNNABAWUDTRO-NSHDSACASA-N -1 1 363.414 2.090 20 0 FEADMM COCCc1nc(=N[C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)s[n-]1 ZINC000371862607 557314141 /nfs/dbraw/zinc/31/41/41/557314141.db2.gz FXBFNQWRZQHKSG-RISCZKNCSA-N -1 1 367.544 2.236 20 0 FEADMM CCCCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372134497 557388536 /nfs/dbraw/zinc/38/85/36/557388536.db2.gz REUWMAFCDXTTFR-ZDUSSCGKSA-N -1 1 359.430 2.407 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](Nc2ncccn2)C1 ZINC000519159813 562126257 /nfs/dbraw/zinc/12/62/57/562126257.db2.gz ZWUDVZJTCMKRBT-LLVKDONJSA-N -1 1 363.215 2.271 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1Br ZINC000627669866 557470320 /nfs/dbraw/zinc/47/03/20/557470320.db2.gz VYJVOGHWEHXBLS-CQSZACIVSA-N -1 1 355.236 2.116 20 0 FEADMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cnn(CC(F)(F)F)c1 ZINC000373450624 557696075 /nfs/dbraw/zinc/69/60/75/557696075.db2.gz BCSCWDDVFKHTHZ-UHFFFAOYSA-N -1 1 372.332 2.031 20 0 FEADMM C[C@@H]1C[C@H]1[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1 ZINC000520294237 562152922 /nfs/dbraw/zinc/15/29/22/562152922.db2.gz YUDMNULLGNIWDU-DDHOLCJHSA-N -1 1 357.801 2.198 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)cnc2n1 ZINC000373603617 557727560 /nfs/dbraw/zinc/72/75/60/557727560.db2.gz KGGBKNMRCDWPGF-IBGZPJMESA-N -1 1 357.410 2.054 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@]3(CCOC3)OC(C)(C)C1)c2=O ZINC000373603617 557727562 /nfs/dbraw/zinc/72/75/62/557727562.db2.gz KGGBKNMRCDWPGF-IBGZPJMESA-N -1 1 357.410 2.054 20 0 FEADMM COCCN(CCc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000520153755 562149760 /nfs/dbraw/zinc/14/97/60/562149760.db2.gz WBJCOFYGBBJLHK-UHFFFAOYSA-N -1 1 351.406 2.254 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373739085 557748810 /nfs/dbraw/zinc/74/88/10/557748810.db2.gz ZFPBQHSCHPJAOB-BLVKFPJESA-N -1 1 363.458 2.198 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1noc(-c2ccccc2)n1 ZINC000373785532 557758878 /nfs/dbraw/zinc/75/88/78/557758878.db2.gz ZSOZYFHXBPWZFI-SECBINFHSA-N -1 1 367.818 2.163 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000521037619 562168064 /nfs/dbraw/zinc/16/80/64/562168064.db2.gz LTPSRPDQKNVBFE-HZMBPMFUSA-N -1 1 369.418 2.281 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2cccs2)o1 ZINC000374106771 557824414 /nfs/dbraw/zinc/82/44/14/557824414.db2.gz KTXIJPHXNMDRIQ-JTQLQIEISA-N -1 1 372.493 2.180 20 0 FEADMM COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)c1c[n-]c3[nH+]c(C)ccc3c1=O)C2 ZINC000374659116 557913095 /nfs/dbraw/zinc/91/30/95/557913095.db2.gz CXINOVCPTNRVQH-CWTRNNRKSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)c1c[n-]c3nc(C)ccc3c1=O)C2 ZINC000374659116 557913097 /nfs/dbraw/zinc/91/30/97/557913097.db2.gz CXINOVCPTNRVQH-CWTRNNRKSA-N -1 1 355.394 2.059 20 0 FEADMM CCc1oc(C(=O)[N-]c2nnc(-c3nccn3C)s2)cc1C(=O)OC ZINC000374735830 557923448 /nfs/dbraw/zinc/92/34/48/557923448.db2.gz LUOGLPWBGNEBLO-UHFFFAOYSA-N -1 1 361.383 2.133 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)cc(Cl)c1[O-] ZINC000374867496 557943607 /nfs/dbraw/zinc/94/36/07/557943607.db2.gz CXKKDYNIQXNRND-STQMWFEESA-N -1 1 352.818 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccccc3C)CC2)o1 ZINC000374917410 557951393 /nfs/dbraw/zinc/95/13/93/557951393.db2.gz YDMMTSNFEOBIBH-UHFFFAOYSA-N -1 1 360.435 2.426 20 0 FEADMM O=C(CCCc1nnc(-c2ccccc2)o1)NC1(c2nn[n-]n2)CCCC1 ZINC000521507387 562177820 /nfs/dbraw/zinc/17/78/20/562177820.db2.gz GGNQQBUIDLZNJC-UHFFFAOYSA-N -1 1 367.413 2.158 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3csc(C)c3)C2)o1 ZINC000375375309 558017388 /nfs/dbraw/zinc/01/73/88/558017388.db2.gz FJFXMCODUXAJHL-LLVKDONJSA-N -1 1 354.453 2.187 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)o1 ZINC000375573761 558050845 /nfs/dbraw/zinc/05/08/45/558050845.db2.gz ZKVRMYPOKRFINE-NSHDSACASA-N -1 1 355.343 2.007 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCC3CCCC3)CC2)n1 ZINC000375945544 558103686 /nfs/dbraw/zinc/10/36/86/558103686.db2.gz FMGAOPNAIWKOAU-UHFFFAOYSA-N -1 1 363.462 2.451 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)o1 ZINC000521636499 562180927 /nfs/dbraw/zinc/18/09/27/562180927.db2.gz SSWHVPHMOGPPGK-VIFPVBQESA-N -1 1 371.484 2.433 20 0 FEADMM FC(F)(F)c1nsc(=N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)[n-]1 ZINC000376184521 558138266 /nfs/dbraw/zinc/13/82/66/558138266.db2.gz BIUGPDLUIDWJDP-SECBINFHSA-N -1 1 374.392 2.316 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@H]2C)o1 ZINC000376327989 558158588 /nfs/dbraw/zinc/15/85/88/558158588.db2.gz OIACQQXNXRLNGY-RTHLEPHNSA-N -1 1 355.343 2.006 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)o1 ZINC000376327987 558158778 /nfs/dbraw/zinc/15/87/78/558158778.db2.gz OIACQQXNXRLNGY-CLAHSXSESA-N -1 1 355.343 2.006 20 0 FEADMM C[C@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1nccn1-c1ccccc1 ZINC000376625218 558199542 /nfs/dbraw/zinc/19/95/42/558199542.db2.gz ADVJSIQGFPDNJL-OTDIFDQJSA-N -1 1 361.409 2.410 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC4(CC3)OCc3ccccc34)ccnc1-2 ZINC000376627457 558199617 /nfs/dbraw/zinc/19/96/17/558199617.db2.gz GMICGOJMRPMGCT-QJOMJCCJSA-N -1 1 363.421 2.395 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC(n4cc(Cl)cn4)CC3)ccnc1-2 ZINC000376627418 558199795 /nfs/dbraw/zinc/19/97/95/558199795.db2.gz GDBNTIWQFLUCDD-STZFKDTASA-N -1 1 359.821 2.061 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CCCc3cn[nH]c32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377111956 558268868 /nfs/dbraw/zinc/26/88/68/558268868.db2.gz MYTCXDXDVCDNIV-UKJIMTQDSA-N -1 1 372.391 2.134 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@@H](c3ncon3)C2)cc(Cl)c1[O-] ZINC000377284017 558306250 /nfs/dbraw/zinc/30/62/50/558306250.db2.gz XISMOHNIPKUOSL-GFCCVEGCSA-N -1 1 353.762 2.041 20 0 FEADMM CC(C)n1ncc2c1[C@@H](NC(=O)c1c[n-]c3c(cnn3C)c1=O)CCC2 ZINC000377362471 558325072 /nfs/dbraw/zinc/32/50/72/558325072.db2.gz NRTXGFVQUFFVGC-AWEZNQCLSA-N -1 1 354.414 2.259 20 0 FEADMM O=C(N=c1[n-]nc(C=Cc2ccco2)s1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000377395330 558332244 /nfs/dbraw/zinc/33/22/44/558332244.db2.gz DPUQTJRFANUYMG-DFVUYQKZSA-N -1 1 356.411 2.704 20 0 FEADMM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)[N-]OCc1ccccc1 ZINC000377441291 558341233 /nfs/dbraw/zinc/34/12/33/558341233.db2.gz JDIYJGZZAASXHQ-UHFFFAOYSA-N -1 1 350.378 2.343 20 0 FEADMM COc1cccc(N2C[C@@H](NC(=O)c3c(F)ccc([O-])c3F)CC2=O)c1 ZINC000377706040 558401665 /nfs/dbraw/zinc/40/16/65/558401665.db2.gz YBLPBUNZPQOXEI-JTQLQIEISA-N -1 1 362.332 2.214 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC1Cc2ccccc2C1 ZINC000522691451 562201957 /nfs/dbraw/zinc/20/19/57/562201957.db2.gz ZEACFWBCSRCXAO-UHFFFAOYSA-N -1 1 374.444 2.214 20 0 FEADMM C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c[nH]cn2)[C@H]1c1cccc(Cl)c1 ZINC000377761722 558414692 /nfs/dbraw/zinc/41/46/92/558414692.db2.gz NVNQCSBQXIGPRJ-SWLSCSKDSA-N -1 1 354.863 2.034 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000522743055 562203088 /nfs/dbraw/zinc/20/30/88/562203088.db2.gz WXYYUGCOHNLWPZ-UHFFFAOYSA-N -1 1 368.418 2.304 20 0 FEADMM CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc(O)ccc3Cl)C2)CC1 ZINC000377892207 558442962 /nfs/dbraw/zinc/44/29/62/558442962.db2.gz FKTTUPSCBDWIJU-CQSZACIVSA-N -1 1 351.878 2.288 20 0 FEADMM O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000522929116 562206246 /nfs/dbraw/zinc/20/62/46/562206246.db2.gz AMAYHDLPVMQIIS-UHFFFAOYSA-N -1 1 360.424 2.244 20 0 FEADMM O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000522929116 562206247 /nfs/dbraw/zinc/20/62/47/562206247.db2.gz AMAYHDLPVMQIIS-UHFFFAOYSA-N -1 1 360.424 2.244 20 0 FEADMM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000378186357 558498751 /nfs/dbraw/zinc/49/87/51/558498751.db2.gz WSYYRNRLKJIEEB-GDBMZVCRSA-N -1 1 371.437 2.485 20 0 FEADMM COCc1nccc([C@@H]2CCCN(CC(=O)[N-]OCc3ccccc3)C2)n1 ZINC000378379432 558544101 /nfs/dbraw/zinc/54/41/01/558544101.db2.gz AMYDSIFEKHDINZ-QGZVFWFLSA-N -1 1 370.453 2.050 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(OC)c1 ZINC000392295091 558616847 /nfs/dbraw/zinc/61/68/47/558616847.db2.gz VLIBSSBEDCEUED-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COc1ccc(-c2noc(=O)n2CC(=O)c2ccc([O-])cc2)cc1OC ZINC000523950510 562221950 /nfs/dbraw/zinc/22/19/50/562221950.db2.gz RHXPMUHEDONPGZ-UHFFFAOYSA-N -1 1 356.334 2.109 20 0 FEADMM C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000408235653 558659317 /nfs/dbraw/zinc/65/93/17/558659317.db2.gz KBWPIJMIEIPMER-WDEREUQCSA-N -1 1 364.464 2.006 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)cnc2n1 ZINC000408331554 558666890 /nfs/dbraw/zinc/66/68/90/558666890.db2.gz YDUPDBBUDDIIHV-OAHLLOKOSA-N -1 1 355.316 2.173 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)c[n-]c2n1 ZINC000408331554 558666891 /nfs/dbraw/zinc/66/68/91/558666891.db2.gz YDUPDBBUDDIIHV-OAHLLOKOSA-N -1 1 355.316 2.173 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@@H](N4CCCC4=O)C3)nc2)[n-]c(=O)c1C ZINC000524687743 562232356 /nfs/dbraw/zinc/23/23/56/562232356.db2.gz VMDOBXCTFNDBRV-MRXNPFEDSA-N -1 1 367.453 2.452 20 0 FEADMM COc1cncc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000410398874 558754840 /nfs/dbraw/zinc/75/48/40/558754840.db2.gz MEHHWJZVGYLORK-NSHDSACASA-N -1 1 350.396 2.469 20 0 FEADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000410413004 558755930 /nfs/dbraw/zinc/75/59/30/558755930.db2.gz HNVLRXJEBKXILK-UHFFFAOYSA-N -1 1 370.434 2.295 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1)c1ccc2ncccc2c1 ZINC000525017978 562239432 /nfs/dbraw/zinc/23/94/32/562239432.db2.gz QXQHPYJYYNUJEV-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1 ZINC000525367979 562246759 /nfs/dbraw/zinc/24/67/59/562246759.db2.gz KOJIPKJSQNAPOX-UHFFFAOYSA-N -1 1 357.771 2.310 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@H](O)C3)c2)c1 ZINC000412400888 559033354 /nfs/dbraw/zinc/03/33/54/559033354.db2.gz FOQGXZCWPQTWPF-IYBDPMFKSA-N -1 1 360.435 2.049 20 0 FEADMM CO[C@@](C)([C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000412616133 559046662 /nfs/dbraw/zinc/04/66/62/559046662.db2.gz RTYXAKXQRRVXCV-DIFFPNOSSA-N -1 1 372.487 2.290 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)C2(OC)CCC2)cc1[N-]S(C)(=O)=O ZINC000413796117 559130853 /nfs/dbraw/zinc/13/08/53/559130853.db2.gz GCASMTDNEOETLJ-LLVKDONJSA-N -1 1 371.459 2.146 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000413852606 559135003 /nfs/dbraw/zinc/13/50/03/559135003.db2.gz GWQWKTSAKHOLFB-VXGBXAGGSA-N -1 1 365.411 2.337 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C)cc2OCCOC)CC1 ZINC000414385314 559160587 /nfs/dbraw/zinc/16/05/87/559160587.db2.gz VLJIOULBOZIRNX-UHFFFAOYSA-N -1 1 371.455 2.248 20 0 FEADMM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1F ZINC000414394006 559161077 /nfs/dbraw/zinc/16/10/77/559161077.db2.gz HNKRDMFRQAAJPV-UHFFFAOYSA-N -1 1 367.402 2.122 20 0 FEADMM CN(C)c1ccccc1CN[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414647389 559176981 /nfs/dbraw/zinc/17/69/81/559176981.db2.gz BZNYUANOBHKYAE-PKOBYXMFSA-N -1 1 367.449 2.269 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnn(-c3nc(CC)cs3)c2)n1 ZINC000415635223 559257153 /nfs/dbraw/zinc/25/71/53/559257153.db2.gz CIMLPFNUDMFYER-UHFFFAOYSA-N -1 1 360.399 2.043 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1nc2ccccc2[nH]1 ZINC000416133748 559293578 /nfs/dbraw/zinc/29/35/78/559293578.db2.gz MKXFWOGBQZZKNL-CABZTGNLSA-N -1 1 371.397 2.290 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C[C@@H](CC)O1 ZINC000421966141 559558500 /nfs/dbraw/zinc/55/85/00/559558500.db2.gz ZEACFQLZPWLOBL-HZPDHXFCSA-N -1 1 370.453 2.099 20 0 FEADMM COC1([C@@H](C)NC(=O)c2ccc(Br)cc2[O-])CCOCC1 ZINC000422077500 559564020 /nfs/dbraw/zinc/56/40/20/559564020.db2.gz LFNDEYMIYDGHJP-SNVBAGLBSA-N -1 1 358.232 2.469 20 0 FEADMM CC[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000422121691 559566443 /nfs/dbraw/zinc/56/64/43/559566443.db2.gz GUMPVYFMIUSDQQ-MRXNPFEDSA-N -1 1 362.451 2.297 20 0 FEADMM CC[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000422125207 559566696 /nfs/dbraw/zinc/56/66/96/559566696.db2.gz WAVVZWHSQGDYTA-PBHICJAKSA-N -1 1 356.422 2.037 20 0 FEADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000422539110 559593625 /nfs/dbraw/zinc/59/36/25/559593625.db2.gz JKXFVQFADMJPIG-OHUAYANFSA-N -1 1 369.259 2.335 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422585476 559596345 /nfs/dbraw/zinc/59/63/45/559596345.db2.gz CXZNBSBPSVSEOF-GJZGRUSLSA-N -1 1 350.484 2.246 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000424403009 559663199 /nfs/dbraw/zinc/66/31/99/559663199.db2.gz FCJGNHLCIGFEPS-HNNXBMFYSA-N -1 1 353.438 2.304 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000424760016 559675837 /nfs/dbraw/zinc/67/58/37/559675837.db2.gz UTXUTUBLXMHLHM-RUZDIDTESA-N -1 1 361.467 2.241 20 0 FEADMM CS(=O)(=O)CCCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000424936334 559680433 /nfs/dbraw/zinc/68/04/33/559680433.db2.gz KGXHNNPPCOGTJN-UHFFFAOYSA-N -1 1 356.831 2.148 20 0 FEADMM CNC(=O)CC1CCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425235153 559692779 /nfs/dbraw/zinc/69/27/79/559692779.db2.gz OTOSRFVAAGRMBZ-HNNXBMFYSA-N -1 1 353.470 3.002 20 0 FEADMM CCC(CC)(CN=c1ccc(C(=O)N(C)C)n[n-]1)C(=O)OC(C)(C)C ZINC000425272386 559694376 /nfs/dbraw/zinc/69/43/76/559694376.db2.gz KMNLCUAQEQXJFJ-UHFFFAOYSA-N -1 1 350.463 2.738 20 0 FEADMM O=C(CCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(Cl)cn1 ZINC000425299995 559695530 /nfs/dbraw/zinc/69/55/30/559695530.db2.gz KTVKHOJNSPQXPX-SNVBAGLBSA-N -1 1 364.789 2.193 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1-n1cccn1 ZINC000425307471 559695745 /nfs/dbraw/zinc/69/57/45/559695745.db2.gz TYBFUMNEPRVKAZ-CQSZACIVSA-N -1 1 353.382 2.289 20 0 FEADMM O=C(c1cnc(Oc2ccccc2)cn1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425305188 559695806 /nfs/dbraw/zinc/69/58/06/559695806.db2.gz QVEDNVIYYQJUAZ-GFCCVEGCSA-N -1 1 367.365 2.377 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cn1 ZINC000425314869 559696168 /nfs/dbraw/zinc/69/61/68/559696168.db2.gz AJRDYDVYVKPAJQ-UHFFFAOYSA-N -1 1 353.382 2.289 20 0 FEADMM CCOc1ccc2c(c1)C[C@H](C(=O)N1CCC(c3n[n-]c(=O)o3)CC1)CO2 ZINC000425320856 559696542 /nfs/dbraw/zinc/69/65/42/559696542.db2.gz LROKCLXGTUMLAM-AWEZNQCLSA-N -1 1 373.409 2.131 20 0 FEADMM CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000426364130 559733460 /nfs/dbraw/zinc/73/34/60/559733460.db2.gz FLBKPYYEUHPSTE-STQMWFEESA-N -1 1 352.508 2.311 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)C1CCCCC1 ZINC000426827702 559742584 /nfs/dbraw/zinc/74/25/84/559742584.db2.gz JESXEYJSPYYODH-ZDUSSCGKSA-N -1 1 351.472 2.959 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000426952696 559744733 /nfs/dbraw/zinc/74/47/33/559744733.db2.gz YKTATUZFUVVWKO-KGLIPLIRSA-N -1 1 368.361 2.027 20 0 FEADMM CCN(CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)CCC(F)(F)F ZINC000427253579 559751325 /nfs/dbraw/zinc/75/13/25/559751325.db2.gz QEYLNGUJCFOBOB-UHFFFAOYSA-N -1 1 372.347 2.034 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000428019791 559767561 /nfs/dbraw/zinc/76/75/61/559767561.db2.gz BTRHKJLMCPKWFJ-UHFFFAOYSA-N -1 1 354.366 2.044 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)n1 ZINC000428701807 559781544 /nfs/dbraw/zinc/78/15/44/559781544.db2.gz PPGNLRUFIFFWJV-UHFFFAOYSA-N -1 1 372.450 2.368 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2CCC(C)(C)O2)ccc1[N-]S(C)(=O)=O ZINC000429422579 559798376 /nfs/dbraw/zinc/79/83/76/559798376.db2.gz HLDMFIPYDBKERC-LBPRGKRZSA-N -1 1 371.459 2.146 20 0 FEADMM CN(CCCC(=O)[O-])CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000430680014 559826166 /nfs/dbraw/zinc/82/61/66/559826166.db2.gz QXIDQYXGBXFNED-UHFFFAOYSA-N -1 1 364.833 2.320 20 0 FEADMM CC(=O)Nc1ccc(CCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)cc1 ZINC000432348664 559857230 /nfs/dbraw/zinc/85/72/30/559857230.db2.gz UJTUZUJKEYLRSN-UHFFFAOYSA-N -1 1 367.453 2.762 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2c(Br)cnn2C)[n-]c1=O ZINC000432701488 559863212 /nfs/dbraw/zinc/86/32/12/559863212.db2.gz ZYSQKRXGLZQPIN-YVMONPNESA-N -1 1 367.203 2.415 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2F)[n-]1 ZINC000432661145 559862681 /nfs/dbraw/zinc/86/26/81/559862681.db2.gz VBGOMMRGHSGMSX-MRVPVSSYSA-N -1 1 366.374 2.164 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 ZINC000432661145 559862682 /nfs/dbraw/zinc/86/26/82/559862682.db2.gz VBGOMMRGHSGMSX-MRVPVSSYSA-N -1 1 366.374 2.164 20 0 FEADMM C[C@@H](O)CCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000432831513 559865791 /nfs/dbraw/zinc/86/57/91/559865791.db2.gz UZJUZKCOWOQFMM-LLVKDONJSA-N -1 1 371.409 2.734 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)c1 ZINC000433491604 559883051 /nfs/dbraw/zinc/88/30/51/559883051.db2.gz PVOLPRUDRRRVQX-UHFFFAOYSA-N -1 1 373.434 2.102 20 0 FEADMM COc1cc(S(=O)(=O)Nc2cc(C)ccc2O)cc(C(=O)[O-])c1OC ZINC000433822047 559888371 /nfs/dbraw/zinc/88/83/71/559888371.db2.gz IRLOOQYKNGQQCY-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCCN(C(=O)C2CCC2)C2CC2)sc1C ZINC000435215231 559918068 /nfs/dbraw/zinc/91/80/68/559918068.db2.gz FUFLSQJMAFWRCT-UHFFFAOYSA-N -1 1 371.528 2.219 20 0 FEADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435419919 559922318 /nfs/dbraw/zinc/92/23/18/559922318.db2.gz AMTANURVKUXPLR-UHFFFAOYSA-N -1 1 367.185 2.303 20 0 FEADMM NC(=O)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435425678 559922474 /nfs/dbraw/zinc/92/24/74/559922474.db2.gz ZRXBIKFFCIJSDN-KWQFWETISA-N -1 1 369.245 2.455 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000436149294 559936141 /nfs/dbraw/zinc/93/61/41/559936141.db2.gz IHNVUMUESUJRKC-UHFFFAOYSA-N -1 1 353.327 2.142 20 0 FEADMM COc1cc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)ccc1F ZINC000436150091 559936150 /nfs/dbraw/zinc/93/61/50/559936150.db2.gz IYSYCNCOSPPJOC-UHFFFAOYSA-N -1 1 354.359 2.299 20 0 FEADMM C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000436175733 559936688 /nfs/dbraw/zinc/93/66/88/559936688.db2.gz GTMGNGPQFLQTJJ-GHMZBOCLSA-N -1 1 364.464 2.006 20 0 FEADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436252822 559938561 /nfs/dbraw/zinc/93/85/61/559938561.db2.gz MOZPPJLVKNPHQW-HNNXBMFYSA-N -1 1 371.462 2.468 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)c([O-])c1 ZINC000436486453 559943029 /nfs/dbraw/zinc/94/30/29/559943029.db2.gz ITLIDINRVUUCKR-UHFFFAOYSA-N -1 1 369.377 2.408 20 0 FEADMM C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436630385 559947111 /nfs/dbraw/zinc/94/71/11/559947111.db2.gz NGHHGWPERBCSDJ-QVKFZJNVSA-N -1 1 369.417 2.144 20 0 FEADMM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000436641421 559947665 /nfs/dbraw/zinc/94/76/65/559947665.db2.gz BGVHJEATYCIMPQ-UHFFFAOYSA-N -1 1 364.423 2.429 20 0 FEADMM COc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436657618 559947917 /nfs/dbraw/zinc/94/79/17/559947917.db2.gz VVKQTKGWCDZAEA-UHFFFAOYSA-N -1 1 355.343 2.347 20 0 FEADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000436661986 559948002 /nfs/dbraw/zinc/94/80/02/559948002.db2.gz AEFRHINRNJNCAL-QGZVFWFLSA-N -1 1 352.390 2.229 20 0 FEADMM CCOc1ccccc1N1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436667834 559948263 /nfs/dbraw/zinc/94/82/63/559948263.db2.gz ZLNCGEYVHCMJDR-UHFFFAOYSA-N -1 1 354.406 2.322 20 0 FEADMM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1C ZINC000436676285 559948524 /nfs/dbraw/zinc/94/85/24/559948524.db2.gz YZLBZWCEPDMHSQ-UHFFFAOYSA-N -1 1 362.407 2.284 20 0 FEADMM C[C@]1(c2ccc(CNC(=O)c3cc(Cl)ccc3[O-])cc2)NC(=O)NC1=O ZINC000436700483 559949146 /nfs/dbraw/zinc/94/91/46/559949146.db2.gz WGAGYHSKBWCLDJ-GOSISDBHSA-N -1 1 373.796 2.030 20 0 FEADMM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000436714160 559949906 /nfs/dbraw/zinc/94/99/06/559949906.db2.gz HIOJAEWKSXUZKT-SNVBAGLBSA-N -1 1 365.411 2.367 20 0 FEADMM O=C(NC[C@H](CO)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000436742823 559950505 /nfs/dbraw/zinc/95/05/05/559950505.db2.gz WYKLOTNNZWWMBR-LLVKDONJSA-N -1 1 351.200 2.056 20 0 FEADMM O=C(NC[C@H](CO)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000436737630 559950553 /nfs/dbraw/zinc/95/05/53/559950553.db2.gz JIQKIIPQDCJBEC-LLVKDONJSA-N -1 1 351.200 2.056 20 0 FEADMM CO[C@H]1C[C@@H](N(C)C(=O)c2cc(I)ccc2[O-])C1 ZINC000436856229 559954497 /nfs/dbraw/zinc/95/44/97/559954497.db2.gz YOJCKFJYLXSSGZ-AOOOYVTPSA-N -1 1 361.179 2.246 20 0 FEADMM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436861987 559954750 /nfs/dbraw/zinc/95/47/50/559954750.db2.gz WVJNRRPFYBXUBY-MRXNPFEDSA-N -1 1 354.362 2.331 20 0 FEADMM COc1ccc([C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2nccn2C)cc1 ZINC000436885924 559955382 /nfs/dbraw/zinc/95/53/82/559955382.db2.gz LGPHZOMXBPZRIU-KRWDZBQOSA-N -1 1 365.389 2.223 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1c([O-])cccc1F)Oc1ccc(F)cc1 ZINC000436904354 559955980 /nfs/dbraw/zinc/95/59/80/559955980.db2.gz YURLPNWVRDCFLU-AWEZNQCLSA-N -1 1 351.305 2.021 20 0 FEADMM O=C(Nc1ccc2[nH]c(N3CCOCC3)nc2c1)c1cc(F)ccc1[O-] ZINC000436907931 559956057 /nfs/dbraw/zinc/95/60/57/559956057.db2.gz HJHNRBJYVUWGSW-UHFFFAOYSA-N -1 1 356.357 2.497 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cnn2cccnc12 ZINC000436915494 559956249 /nfs/dbraw/zinc/95/62/49/559956249.db2.gz QSSGEIOZLRGODU-UHFFFAOYSA-N -1 1 355.745 2.126 20 0 FEADMM CC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000436915364 559956270 /nfs/dbraw/zinc/95/62/70/559956270.db2.gz OEMRNRTVPCIQLY-LLVKDONJSA-N -1 1 363.805 2.028 20 0 FEADMM CC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000436915364 559956271 /nfs/dbraw/zinc/95/62/71/559956271.db2.gz OEMRNRTVPCIQLY-LLVKDONJSA-N -1 1 363.805 2.028 20 0 FEADMM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000436920767 559956494 /nfs/dbraw/zinc/95/64/94/559956494.db2.gz QQHUIEAATYKUEZ-AWEZNQCLSA-N -1 1 374.824 2.455 20 0 FEADMM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(-n2cnnn2)cc1 ZINC000437189940 559961626 /nfs/dbraw/zinc/96/16/26/559961626.db2.gz WAOSLYKPFYKETA-UHFFFAOYSA-N -1 1 369.328 2.482 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)cc1 ZINC000437300708 559963041 /nfs/dbraw/zinc/96/30/41/559963041.db2.gz AKHYZAMKTCSUIM-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM CCSc1nccnc1C(=O)N=c1nc(-c2ccccc2OC)[nH][n-]1 ZINC000438240811 559976066 /nfs/dbraw/zinc/97/60/66/559976066.db2.gz PQNXOJYOHGRYAU-UHFFFAOYSA-N -1 1 356.411 2.635 20 0 FEADMM O=C(NCCF)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000438280062 559976566 /nfs/dbraw/zinc/97/65/66/559976566.db2.gz JFHGYDMQXSZDTQ-UHFFFAOYSA-N -1 1 369.393 2.395 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1csc(=NC2CC2)[n-]1 ZINC000438315133 559977164 /nfs/dbraw/zinc/97/71/64/559977164.db2.gz KIFNIARTIPUIOQ-GXTWGEPZSA-N -1 1 367.421 2.685 20 0 FEADMM Cc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1O ZINC000438963050 559986367 /nfs/dbraw/zinc/98/63/67/559986367.db2.gz HNWWOQNUQSYHQC-UHFFFAOYSA-N -1 1 350.378 2.336 20 0 FEADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000442743281 560055711 /nfs/dbraw/zinc/05/57/11/560055711.db2.gz BLKCLXVEKCGPMK-QEJZJMRPSA-N -1 1 355.456 2.166 20 0 FEADMM C[C@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000442768802 560056874 /nfs/dbraw/zinc/05/68/74/560056874.db2.gz MFNODWYKJVJDJX-VNQPRFMTSA-N -1 1 369.483 2.036 20 0 FEADMM COc1cc(C(=O)NCCN2C(=O)Cc3ccccc32)cc(Cl)c1[O-] ZINC000442961991 560064273 /nfs/dbraw/zinc/06/42/73/560064273.db2.gz DEVZZWYXTZLRCX-UHFFFAOYSA-N -1 1 360.797 2.373 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000443065861 560068821 /nfs/dbraw/zinc/06/88/21/560068821.db2.gz GOLPSRLEVBHSJM-DZGCQCFKSA-N -1 1 363.439 2.201 20 0 FEADMM COc1cc(NC(=O)Nc2ccc(O)cc2)ccc1[N-]S(C)(=O)=O ZINC000443607223 560088469 /nfs/dbraw/zinc/08/84/69/560088469.db2.gz UGQVPGCYZHGHPA-UHFFFAOYSA-N -1 1 351.384 2.416 20 0 FEADMM Cc1cnc(C(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000444423180 560113369 /nfs/dbraw/zinc/11/33/69/560113369.db2.gz IMODWNALIDOGJA-LLVKDONJSA-N -1 1 354.328 2.094 20 0 FEADMM CCN1CC(=O)N(c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1=O ZINC000445887734 560136249 /nfs/dbraw/zinc/13/62/49/560136249.db2.gz RXXQJNRQKUPECL-UHFFFAOYSA-N -1 1 359.407 2.276 20 0 FEADMM O=C1[C@@H]2CCCN2C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445888567 560136280 /nfs/dbraw/zinc/13/62/80/560136280.db2.gz VIUHYSBQNIIWRN-INIZCTEOSA-N -1 1 371.418 2.418 20 0 FEADMM COc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000446330288 560144442 /nfs/dbraw/zinc/14/44/42/560144442.db2.gz HKOUBNAFQGLCMG-QJPTWQEYSA-N -1 1 371.459 2.096 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CCC(C)(C)O3)c2)n1 ZINC000447687067 560167098 /nfs/dbraw/zinc/16/70/98/560167098.db2.gz HPPIPZGIQWBNDF-AWEZNQCLSA-N -1 1 372.425 2.222 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(O)cc(Br)c1 ZINC000451109784 560287713 /nfs/dbraw/zinc/28/77/13/560287713.db2.gz ZDLKJHVWPKEYIC-LBPRGKRZSA-N -1 1 350.234 2.466 20 0 FEADMM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3sccc3Cl)C2)cn1 ZINC000451246040 560295434 /nfs/dbraw/zinc/29/54/34/560295434.db2.gz QJEZVNYXTSZPTJ-JTQLQIEISA-N -1 1 360.892 2.082 20 0 FEADMM CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451514869 560311420 /nfs/dbraw/zinc/31/14/20/560311420.db2.gz DVAZRWDNWDQFRN-TZMCWYRMSA-N -1 1 359.419 2.008 20 0 FEADMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000451794199 560328951 /nfs/dbraw/zinc/32/89/51/560328951.db2.gz XCCMEZKEIRXTHW-QPUJVOFHSA-N -1 1 372.245 2.462 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](CO)C(C)C)o1 ZINC000451865736 560333343 /nfs/dbraw/zinc/33/33/43/560333343.db2.gz XYQCCNITBQZSAU-SWLSCSKDSA-N -1 1 361.460 2.024 20 0 FEADMM CCC1(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CCCC1 ZINC000452967238 560379572 /nfs/dbraw/zinc/37/95/72/560379572.db2.gz ZOKPKEJVTNKVCD-UHFFFAOYSA-N -1 1 362.474 2.099 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@@](C)(F)C2)ccc1[N-]S(C)(=O)=O ZINC000454761861 560457181 /nfs/dbraw/zinc/45/71/81/560457181.db2.gz BRHBTFXNBLYGLC-OAHLLOKOSA-N -1 1 359.423 2.423 20 0 FEADMM COc1cc(NC(=O)NCc2cnccc2C)ccc1[N-]S(C)(=O)=O ZINC000454773833 560457745 /nfs/dbraw/zinc/45/77/45/560457745.db2.gz MPKSXWLIUJLCHH-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM COC[C@H]1CCCCN1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000454894184 560462475 /nfs/dbraw/zinc/46/24/75/560462475.db2.gz MWTFXHDGQOZHAI-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM CCn1cc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000456734495 560531272 /nfs/dbraw/zinc/53/12/72/560531272.db2.gz WNZSVHCRNCGSKO-LLVKDONJSA-N -1 1 368.459 2.064 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)co1 ZINC000456739447 560531497 /nfs/dbraw/zinc/53/14/97/560531497.db2.gz UFXKPRTZMAWNMC-UHFFFAOYSA-N -1 1 368.842 2.346 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000456762121 560532299 /nfs/dbraw/zinc/53/22/99/560532299.db2.gz AKFMVRXMHPSNRG-UHFFFAOYSA-N -1 1 352.259 2.410 20 0 FEADMM COC(=O)c1cccc2c1CCN(C(=O)c1csc(=NC3CC3)[n-]1)C2 ZINC000457223488 560556769 /nfs/dbraw/zinc/55/67/69/560556769.db2.gz UGZKTUUSYMZRNT-UHFFFAOYSA-N -1 1 357.435 2.703 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3[nH]ccc3C3CC3)CC2)n1 ZINC000457761830 560586243 /nfs/dbraw/zinc/58/62/43/560586243.db2.gz LVSCCVMRYRYWNP-UHFFFAOYSA-N -1 1 357.414 2.207 20 0 FEADMM CC[C@@H]1CN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC[N@H+]1C[C@H](C)O ZINC000459342256 560680963 /nfs/dbraw/zinc/68/09/63/560680963.db2.gz WZWKLJLCDVRYRM-MAUKXSAKSA-N -1 1 356.470 2.126 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)ccc12 ZINC000461333985 560766960 /nfs/dbraw/zinc/76/69/60/560766960.db2.gz PISVYYCESHYLGL-UHFFFAOYSA-N -1 1 370.438 2.273 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCCOc2ccccc2)c1 ZINC000461461477 560772458 /nfs/dbraw/zinc/77/24/58/560772458.db2.gz SWZSDVYZYOMZHH-UHFFFAOYSA-N -1 1 364.423 2.098 20 0 FEADMM Cc1nn(-c2ccc(C(=O)NC(C)(C)c3nn[n-]n3)cc2)c(C)c1Cl ZINC000461638620 560778213 /nfs/dbraw/zinc/77/82/13/560778213.db2.gz WRXRWPOBBGOZBG-UHFFFAOYSA-N -1 1 359.821 2.321 20 0 FEADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000462103184 560797416 /nfs/dbraw/zinc/79/74/16/560797416.db2.gz QMDQGPNIDIGLFM-QHCPKHFHSA-N -1 1 367.448 2.386 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000462259477 560803373 /nfs/dbraw/zinc/80/33/73/560803373.db2.gz NHKCSHXCDJHDLG-ZCFIWIBFSA-N -1 1 364.196 2.319 20 0 FEADMM COc1cc(NC(=O)NC[C@@](C)(OC)C2CC2)ccc1[N-]S(C)(=O)=O ZINC000463738653 560822521 /nfs/dbraw/zinc/82/25/21/560822521.db2.gz RAKCKJHVUUOAIJ-MRXNPFEDSA-N -1 1 371.459 2.003 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000466248545 560882643 /nfs/dbraw/zinc/88/26/43/560882643.db2.gz FKKLKULSFUYXIH-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Fc1ccc(Br)cc1-c1n[n-]c(=NCCc2nc[nH]n2)s1 ZINC000468708635 560936688 /nfs/dbraw/zinc/93/66/88/560936688.db2.gz FXDGIDOQCPVFCU-UHFFFAOYSA-N -1 1 369.223 2.879 20 0 FEADMM CO[C@H](CCNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(F)(F)F ZINC000469935242 560969244 /nfs/dbraw/zinc/96/92/44/560969244.db2.gz LZXQWYWNMNIJFM-SNVBAGLBSA-N -1 1 367.393 2.229 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)co1 ZINC000469992127 560970918 /nfs/dbraw/zinc/97/09/18/560970918.db2.gz OWLKXNWRSTXYAI-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)on1 ZINC000470617225 560986064 /nfs/dbraw/zinc/98/60/64/560986064.db2.gz GCPZXUZEUNYDEZ-UHFFFAOYSA-N -1 1 350.425 2.121 20 0 FEADMM CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470988149 560995905 /nfs/dbraw/zinc/99/59/05/560995905.db2.gz CMTPYJWLAXZGGI-NSHDSACASA-N -1 1 364.247 2.336 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)n[nH]2)o1 ZINC000472412452 561025857 /nfs/dbraw/zinc/02/58/57/561025857.db2.gz RJIMRMKAQYULPJ-UHFFFAOYSA-N -1 1 362.367 2.042 20 0 FEADMM C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000472523630 561028427 /nfs/dbraw/zinc/02/84/27/561028427.db2.gz XHFDFOAFTCLGHK-ZCFIWIBFSA-N -1 1 363.226 2.257 20 0 FEADMM C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000472523630 561028428 /nfs/dbraw/zinc/02/84/28/561028428.db2.gz XHFDFOAFTCLGHK-ZCFIWIBFSA-N -1 1 363.226 2.257 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000473512507 561051732 /nfs/dbraw/zinc/05/17/32/561051732.db2.gz ZGRXMQUTZLTWPX-QMMMGPOBSA-N -1 1 371.315 2.276 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1F ZINC000474301944 561070640 /nfs/dbraw/zinc/07/06/40/561070640.db2.gz FMXLEFRDKUFTLD-UHFFFAOYSA-N -1 1 351.355 2.348 20 0 FEADMM O=S(=O)([N-]CCOC(F)(F)F)c1cc(Br)ccc1F ZINC000474379969 561072646 /nfs/dbraw/zinc/07/26/46/561072646.db2.gz IJEYIZMPMKWOPZ-UHFFFAOYSA-N -1 1 366.130 2.403 20 0 FEADMM COc1cc(NC(=O)N[C@@H](C)C2CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000474590765 561077739 /nfs/dbraw/zinc/07/77/39/561077739.db2.gz ZQNQYWVTKMFPAH-NSHDSACASA-N -1 1 371.459 2.003 20 0 FEADMM Cn1c(C(=O)NC(C)(C)c2nn[n-]n2)cc2cc(C(F)(F)F)ccc21 ZINC000474999623 561087405 /nfs/dbraw/zinc/08/74/05/561087405.db2.gz ZABJNKQHZVEMKL-UHFFFAOYSA-N -1 1 352.320 2.375 20 0 FEADMM COc1ccc(NC(=O)N(C)C[C@H]2CCCCO2)cc1[N-]S(C)(=O)=O ZINC000475373040 561095912 /nfs/dbraw/zinc/09/59/12/561095912.db2.gz WKRRZTGYCOPGQR-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cn1 ZINC000475814963 561106078 /nfs/dbraw/zinc/10/60/78/561106078.db2.gz MFVJBWBDOQNVRH-UHFFFAOYSA-N -1 1 352.846 2.001 20 0 FEADMM Cc1ccc2c(c1)CC[C@H](C(=O)NCc1c(C)nc3cc(=O)[n-]n3c1C)O2 ZINC000476059362 561110482 /nfs/dbraw/zinc/11/04/82/561110482.db2.gz GMKBZBXEMHSXEK-QGZVFWFLSA-N -1 1 366.421 2.370 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1 ZINC000476397632 561118314 /nfs/dbraw/zinc/11/83/14/561118314.db2.gz QJRHDAPCSWSPEL-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000476523320 561121704 /nfs/dbraw/zinc/12/17/04/561121704.db2.gz KOASUESIWPQIAR-LRDDRELGSA-N -1 1 372.487 2.422 20 0 FEADMM COc1ccc(C(=O)CCCCCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477020521 561134377 /nfs/dbraw/zinc/13/43/77/561134377.db2.gz PUNHRWWYICPKFT-UHFFFAOYSA-N -1 1 357.414 2.147 20 0 FEADMM COc1cccc(Nc2ccccc2C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000477019359 561134436 /nfs/dbraw/zinc/13/44/36/561134436.db2.gz LXTAWSZYBRJRRR-UHFFFAOYSA-N -1 1 350.382 2.371 20 0 FEADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000477194646 561139015 /nfs/dbraw/zinc/13/90/15/561139015.db2.gz YHSIQCMTHKKEFT-UHFFFAOYSA-N -1 1 366.370 2.057 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)N1CCCC1 ZINC000528562241 562336469 /nfs/dbraw/zinc/33/64/69/562336469.db2.gz NGDDNICYKYHDAA-UHFFFAOYSA-N -1 1 364.389 2.031 20 0 FEADMM CCC[C@H](NC(=O)c1nc(C(F)(F)F)n2c1CCCC2)c1nn[n-]n1 ZINC000528797610 562348346 /nfs/dbraw/zinc/34/83/46/562348346.db2.gz IWIQZGBQJAXOBQ-QMMMGPOBSA-N -1 1 357.340 2.023 20 0 FEADMM Cc1ccnc(Nc2cccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c2)n1 ZINC000528882662 562351406 /nfs/dbraw/zinc/35/14/06/562351406.db2.gz MLBANINAIOGCRU-AWEZNQCLSA-N -1 1 364.413 2.062 20 0 FEADMM C[C@H](c1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)[nH]n1)c1ccccc1 ZINC000528883964 562351614 /nfs/dbraw/zinc/35/16/14/562351614.db2.gz XHQARRGTABCPHJ-GXTWGEPZSA-N -1 1 351.414 2.094 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCCC12CC2 ZINC000528954948 562354202 /nfs/dbraw/zinc/35/42/02/562354202.db2.gz ZNNGHXOXUNFTDM-ZDUSSCGKSA-N -1 1 350.440 2.352 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000528994701 562355844 /nfs/dbraw/zinc/35/58/44/562355844.db2.gz DIGQFNDNKTXAJS-VEABSNGSSA-N -1 1 371.459 2.000 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000529697907 562381278 /nfs/dbraw/zinc/38/12/78/562381278.db2.gz SZJWMXIOYMWYNN-UHFFFAOYSA-N -1 1 360.395 2.171 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000529782512 562385320 /nfs/dbraw/zinc/38/53/20/562385320.db2.gz GFGSIQAZGBCZMI-VBKZILBWSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000529999095 562394133 /nfs/dbraw/zinc/39/41/33/562394133.db2.gz MDGRAWVXUMKJMP-JKSUJKDBSA-N -1 1 366.446 2.417 20 0 FEADMM COc1cc(C(=O)NCC(C)(C)C(=O)N2CCCC2)cc(Cl)c1[O-] ZINC000530086165 562397608 /nfs/dbraw/zinc/39/76/08/562397608.db2.gz GHUKSMIAGUMOLI-UHFFFAOYSA-N -1 1 354.834 2.433 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC2COC2)c1 ZINC000530113536 562398676 /nfs/dbraw/zinc/39/86/76/562398676.db2.gz SYDCBKQNKITKOH-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000530535842 562415225 /nfs/dbraw/zinc/41/52/25/562415225.db2.gz LPWMMTZIBVWBPD-JTQLQIEISA-N -1 1 351.346 2.469 20 0 FEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC(C)(C)c1nn[n-]n1)O[C@H](C)C2 ZINC000530619795 562417975 /nfs/dbraw/zinc/41/79/75/562417975.db2.gz ACXDODOISDGRGN-OSMZGAPFSA-N -1 1 371.441 2.077 20 0 FEADMM C[C@@H]1CCc2ccccc2N1CCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000531061882 562433661 /nfs/dbraw/zinc/43/36/61/562433661.db2.gz WIENRGXDIWUHLG-CQSZACIVSA-N -1 1 354.458 2.317 20 0 FEADMM COc1ccc(NC(=O)NC(C2CC2)C2CC2)cc1[N-]S(C)(=O)=O ZINC000531101708 562434754 /nfs/dbraw/zinc/43/47/54/562434754.db2.gz QRHRXRPESOHOEH-UHFFFAOYSA-N -1 1 353.444 2.377 20 0 FEADMM COc1ccc(NC(=O)Cn2cc3ccccc3n2)cc1[N-]S(C)(=O)=O ZINC000531125679 562435544 /nfs/dbraw/zinc/43/55/44/562435544.db2.gz WTGPDWVQKSXMHG-UHFFFAOYSA-N -1 1 374.422 2.055 20 0 FEADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000531204832 562438202 /nfs/dbraw/zinc/43/82/02/562438202.db2.gz VVYUDRDWGFINMA-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](C)COC)c1 ZINC000531279032 562440402 /nfs/dbraw/zinc/44/04/02/562440402.db2.gz XKBOITHLKUGUFG-LBPRGKRZSA-N -1 1 358.460 2.034 20 0 FEADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)CC(=O)N4)ccc2NC1=O ZINC000531527447 562448659 /nfs/dbraw/zinc/44/86/59/562448659.db2.gz SOMBUMKYTDZYKZ-UHFFFAOYSA-N -1 1 371.418 2.212 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000532436708 562478004 /nfs/dbraw/zinc/47/80/04/562478004.db2.gz BHYXVAJXXOBIQI-UHFFFAOYSA-N -1 1 371.363 2.477 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(Cn3cccn3)c2)sc1C ZINC000532496207 562479523 /nfs/dbraw/zinc/47/95/23/562479523.db2.gz RUXKKSAMDVLQMQ-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000532711566 562486265 /nfs/dbraw/zinc/48/62/65/562486265.db2.gz HMBZMPZGZUYIJR-UHFFFAOYSA-N -1 1 356.369 2.233 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000532947367 562493262 /nfs/dbraw/zinc/49/32/62/562493262.db2.gz FCAZQSDVCRFHOY-CYBMUJFWSA-N -1 1 353.378 2.206 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c(C)o1 ZINC000533166156 562500073 /nfs/dbraw/zinc/50/00/73/562500073.db2.gz QLWPZOKHAHDRTD-UHFFFAOYSA-N -1 1 370.358 2.273 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000533253303 562502847 /nfs/dbraw/zinc/50/28/47/562502847.db2.gz ZTWGCRGOLNSMJN-HTGLOVNISA-N -1 1 350.531 2.118 20 0 FEADMM CC[C@@H](C)n1ncc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1C1CC1 ZINC000534247618 562528472 /nfs/dbraw/zinc/52/84/72/562528472.db2.gz WILOVMJBKXBMGF-SNVBAGLBSA-N -1 1 366.443 2.485 20 0 FEADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c(C)cn1 ZINC000534300166 562530631 /nfs/dbraw/zinc/53/06/31/562530631.db2.gz MMXUZTGBVSKJNG-UHFFFAOYSA-N -1 1 351.428 2.042 20 0 FEADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000534389583 562533184 /nfs/dbraw/zinc/53/31/84/562533184.db2.gz GIVUGRUPZBZDTD-JPQMIFPKSA-N -1 1 355.419 2.152 20 0 FEADMM [O-]C(=Cc1cnn(-c2ccccc2)c1)Nc1nc(-c2cccnc2)ns1 ZINC000535172824 562552535 /nfs/dbraw/zinc/55/25/35/562552535.db2.gz KFCPSAHRAGDFKC-UHFFFAOYSA-N -1 1 362.418 2.389 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000535780593 562567937 /nfs/dbraw/zinc/56/79/37/562567937.db2.gz MBOVYRHWPGVGAA-UHFFFAOYSA-N -1 1 367.448 2.230 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)o1 ZINC000540737417 562592282 /nfs/dbraw/zinc/59/22/82/562592282.db2.gz WMHRLIIJJRCGMB-GFCCVEGCSA-N -1 1 369.370 2.398 20 0 FEADMM COc1cc(NC(=O)[C@@H](OC)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000540962000 562598541 /nfs/dbraw/zinc/59/85/41/562598541.db2.gz VVGPYEFTJHYOEO-INIZCTEOSA-N -1 1 364.423 2.393 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)cc1[N-]S(C)(=O)=O ZINC000541408941 562611380 /nfs/dbraw/zinc/61/13/80/562611380.db2.gz OKOGTPFZWNCREB-VIFPVBQESA-N -1 1 366.443 2.149 20 0 FEADMM CSC1(C[N-]S(=O)(=O)c2ccc(Br)o2)CCOCC1 ZINC000546063820 562633254 /nfs/dbraw/zinc/63/32/54/562633254.db2.gz QIZXGXBLPMMWMM-UHFFFAOYSA-N -1 1 370.290 2.233 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cnc(C2OCCO2)s1 ZINC000806775211 674389853 /nfs/dbraw/zinc/38/98/53/674389853.db2.gz SMZZCSDWFTXWBH-UHFFFAOYSA-N -1 1 361.358 2.365 20 0 FEADMM COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000601765314 567831248 /nfs/dbraw/zinc/83/12/48/567831248.db2.gz LJADEOYCJPJPBH-GOSISDBHSA-N -1 1 353.390 2.352 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000602034592 567915995 /nfs/dbraw/zinc/91/59/95/567915995.db2.gz DHEXBMMTPCEWPZ-NSHDSACASA-N -1 1 356.430 2.249 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCc2ccc(CC(C)C)cc2)n[n-]1 ZINC000603015606 568051832 /nfs/dbraw/zinc/05/18/32/568051832.db2.gz IVFMKBRLZNCSCC-UHFFFAOYSA-N -1 1 358.442 2.429 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2ccc(CC(C)C)cc2)n1 ZINC000603015606 568051833 /nfs/dbraw/zinc/05/18/33/568051833.db2.gz IVFMKBRLZNCSCC-UHFFFAOYSA-N -1 1 358.442 2.429 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@]23CCCC[C@H]2C3(F)F)n[n-]1 ZINC000603152782 568065143 /nfs/dbraw/zinc/06/51/43/568065143.db2.gz FCSBPAFBGIKDRB-FEUHOPSXSA-N -1 1 356.373 2.374 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@]23CCCC[C@H]2C3(F)F)[n-]1 ZINC000603152782 568065144 /nfs/dbraw/zinc/06/51/44/568065144.db2.gz FCSBPAFBGIKDRB-FEUHOPSXSA-N -1 1 356.373 2.374 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@]23CCCC[C@H]2C3(F)F)n1 ZINC000603152782 568065145 /nfs/dbraw/zinc/06/51/45/568065145.db2.gz FCSBPAFBGIKDRB-FEUHOPSXSA-N -1 1 356.373 2.374 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)n[n-]1 ZINC000603156652 568068716 /nfs/dbraw/zinc/06/87/16/568068716.db2.gz UIKKMWISFBXBCF-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)[n-]1 ZINC000603156652 568068717 /nfs/dbraw/zinc/06/87/17/568068717.db2.gz UIKKMWISFBXBCF-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)n1 ZINC000603156652 568068718 /nfs/dbraw/zinc/06/87/18/568068718.db2.gz UIKKMWISFBXBCF-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2cccc(C)c2Cl)n[n-]1 ZINC000603156748 568068775 /nfs/dbraw/zinc/06/87/75/568068775.db2.gz UQGPQIASUGZNPY-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2cccc(C)c2Cl)[n-]1 ZINC000603156748 568068776 /nfs/dbraw/zinc/06/87/76/568068776.db2.gz UQGPQIASUGZNPY-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2cccc(C)c2Cl)n1 ZINC000603156748 568068777 /nfs/dbraw/zinc/06/87/77/568068777.db2.gz UQGPQIASUGZNPY-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCc2cccc(F)c2F)n[n-]1 ZINC000603163354 568069736 /nfs/dbraw/zinc/06/97/36/568069736.db2.gz IAQKNIZZUZCJSS-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCc2cccc(F)c2F)[n-]1 ZINC000603163354 568069737 /nfs/dbraw/zinc/06/97/37/568069737.db2.gz IAQKNIZZUZCJSS-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCc2cccc(F)c2F)n1 ZINC000603163354 568069738 /nfs/dbraw/zinc/06/97/38/568069738.db2.gz IAQKNIZZUZCJSS-VIFPVBQESA-N -1 1 352.341 2.070 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)(C(=O)OC)c1ccccc1 ZINC000603281006 568082398 /nfs/dbraw/zinc/08/23/98/568082398.db2.gz GJDRTVDAPNGGME-CABCVRRESA-N -1 1 361.410 2.430 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1cc(C(C)C)no1 ZINC000603925124 568182273 /nfs/dbraw/zinc/18/22/73/568182273.db2.gz QMJQYBVHYRAFDC-UHFFFAOYSA-N -1 1 367.409 2.111 20 0 FEADMM CO[C@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)[C@H]1CCOC1 ZINC000617129519 568219218 /nfs/dbraw/zinc/21/92/18/568219218.db2.gz IROUHPYLTTWYAA-ZUZCIYMTSA-N -1 1 350.802 2.375 20 0 FEADMM CN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000647739281 568228940 /nfs/dbraw/zinc/22/89/40/568228940.db2.gz MBPXRWLEFWMGCN-FUTJPDQTSA-N -1 1 354.809 2.309 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(C)(C)OCC1(C)C ZINC000604335234 568257091 /nfs/dbraw/zinc/25/70/91/568257091.db2.gz XLRMFPYHQLEDRN-UHFFFAOYSA-N -1 1 370.453 2.099 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000604513764 568306803 /nfs/dbraw/zinc/30/68/03/568306803.db2.gz URMVYAWOYGQSDX-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CC[C@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)[C@H]1CCCO1 ZINC000626268683 568317677 /nfs/dbraw/zinc/31/76/77/568317677.db2.gz AGESHUXKAUYBSM-DZGCQCFKSA-N -1 1 360.410 2.233 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cnn(Cc2ccccn2)c1 ZINC000643269362 568449873 /nfs/dbraw/zinc/44/98/73/568449873.db2.gz GVAMYMUVSVBYJC-MRXNPFEDSA-N -1 1 352.460 2.129 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC(C2CC2)C1 ZINC000643286842 568538764 /nfs/dbraw/zinc/53/87/64/568538764.db2.gz KLLSNYSFESRTGU-UHFFFAOYSA-N -1 1 363.266 2.140 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000737362036 598841487 /nfs/dbraw/zinc/84/14/87/598841487.db2.gz LVHGEVMQMWJFBI-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM COc1nc(C)cc(C)c1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737163202 598965210 /nfs/dbraw/zinc/96/52/10/598965210.db2.gz FRGVWBXVFQRJFT-UHFFFAOYSA-N -1 1 362.397 2.442 20 0 FEADMM COc1nc(C)cc(C)c1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737163202 598965211 /nfs/dbraw/zinc/96/52/11/598965211.db2.gz FRGVWBXVFQRJFT-UHFFFAOYSA-N -1 1 362.397 2.442 20 0 FEADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051009 598997896 /nfs/dbraw/zinc/99/78/96/598997896.db2.gz WWKXWNHACUGKSA-WMLDXEAASA-N -1 1 364.409 2.159 20 0 FEADMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051009 598997898 /nfs/dbraw/zinc/99/78/98/598997898.db2.gz WWKXWNHACUGKSA-WMLDXEAASA-N -1 1 364.409 2.159 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000819940290 599049636 /nfs/dbraw/zinc/04/96/36/599049636.db2.gz VWUDVNWZQVEBRC-VXGBXAGGSA-N -1 1 359.434 2.367 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000819940290 599049639 /nfs/dbraw/zinc/04/96/39/599049639.db2.gz VWUDVNWZQVEBRC-VXGBXAGGSA-N -1 1 359.434 2.367 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](C)[C@H]1C ZINC000737201516 599082236 /nfs/dbraw/zinc/08/22/36/599082236.db2.gz UAJDSFJAKPZEJR-GXFFZTMASA-N -1 1 358.446 2.164 20 0 FEADMM COC(=O)[C@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)c1ccccc1F ZINC000821650814 599125821 /nfs/dbraw/zinc/12/58/21/599125821.db2.gz ZGTDQWPJDYJURU-CYBMUJFWSA-N -1 1 374.401 2.419 20 0 FEADMM Cc1ccc(Br)c(C)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000556724131 674415675 /nfs/dbraw/zinc/41/56/75/674415675.db2.gz WACUUALQLBDFMN-VIFPVBQESA-N -1 1 352.236 2.455 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CN2C(=O)NC3(CCCCCCC3)C2=O)C1 ZINC000819380143 597048292 /nfs/dbraw/zinc/04/82/92/597048292.db2.gz IAONFIWBIPPJDR-CQSZACIVSA-N -1 1 351.447 2.166 20 0 FEADMM Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000821070249 598173973 /nfs/dbraw/zinc/17/39/73/598173973.db2.gz SMKQYGUOLSRBMD-KRWDZBQOSA-N -1 1 369.421 2.051 20 0 FEADMM CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735589569 598262826 /nfs/dbraw/zinc/26/28/26/598262826.db2.gz MLAPJGSTKVAUBJ-HNNXBMFYSA-N -1 1 372.454 2.327 20 0 FEADMM CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735589569 598262828 /nfs/dbraw/zinc/26/28/28/598262828.db2.gz MLAPJGSTKVAUBJ-HNNXBMFYSA-N -1 1 372.454 2.327 20 0 FEADMM FC(F)(F)COc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737628560 598340885 /nfs/dbraw/zinc/34/08/85/598340885.db2.gz XMGXPAADYBEFGW-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737628560 598340887 /nfs/dbraw/zinc/34/08/87/598340887.db2.gz XMGXPAADYBEFGW-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM c1cnc(-c2nnn[n-]2)c(NCc2ccc(N3CCCCCC3)nc2)n1 ZINC000738445683 598346192 /nfs/dbraw/zinc/34/61/92/598346192.db2.gz KHVRAPZFHGSOJT-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM c1cnc(-c2nn[n-]n2)c(NCc2ccc(N3CCCCCC3)nc2)n1 ZINC000738445683 598346193 /nfs/dbraw/zinc/34/61/93/598346193.db2.gz KHVRAPZFHGSOJT-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM O=C(COc1cc(Cl)ccc1Cl)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737916553 598379591 /nfs/dbraw/zinc/37/95/91/598379591.db2.gz NYBOSNBHCHQJSY-UHFFFAOYSA-N -1 1 365.180 2.008 20 0 FEADMM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)C(F)(F)F ZINC000807896975 674433809 /nfs/dbraw/zinc/43/38/09/674433809.db2.gz FWXPXEKMILCCFX-VIFPVBQESA-N -1 1 368.302 2.312 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2=COCCC2)c1-c1nn[n-]n1 ZINC000737503249 598476124 /nfs/dbraw/zinc/47/61/24/598476124.db2.gz FPLSSPOBGNTETM-UHFFFAOYSA-N -1 1 366.381 2.098 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC000735628408 598502969 /nfs/dbraw/zinc/50/29/69/598502969.db2.gz TUZOZYPCUULVNN-LBPRGKRZSA-N -1 1 374.449 2.106 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC000735628408 598502971 /nfs/dbraw/zinc/50/29/71/598502971.db2.gz TUZOZYPCUULVNN-LBPRGKRZSA-N -1 1 374.449 2.106 20 0 FEADMM COc1ccccc1OCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737154957 598504158 /nfs/dbraw/zinc/50/41/58/598504158.db2.gz BDRSRJFXAYUYAK-UHFFFAOYSA-N -1 1 363.377 2.269 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737346477 598593730 /nfs/dbraw/zinc/59/37/30/598593730.db2.gz GHHUXGWXGRVPCV-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1 ZINC000808125272 674442798 /nfs/dbraw/zinc/44/27/98/674442798.db2.gz QNDMDJXSRYIMMY-UHFFFAOYSA-N -1 1 360.391 2.141 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)ccc1C ZINC000808125090 674442884 /nfs/dbraw/zinc/44/28/84/674442884.db2.gz IOTLNTVIQYNYMC-UHFFFAOYSA-N -1 1 361.375 2.253 20 0 FEADMM O=S(=O)([N-]c1c(O)cccc1F)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000823582974 599305251 /nfs/dbraw/zinc/30/52/51/599305251.db2.gz FLMYOEXCOKSIOW-UHFFFAOYSA-N -1 1 369.765 2.166 20 0 FEADMM CC(C)CN(CC(C)C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820086828 599336849 /nfs/dbraw/zinc/33/68/49/599336849.db2.gz GRHGEJMQKPEWDW-UHFFFAOYSA-N -1 1 355.439 2.309 20 0 FEADMM CC(C)CN(CC(C)C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820086828 599336853 /nfs/dbraw/zinc/33/68/53/599336853.db2.gz GRHGEJMQKPEWDW-UHFFFAOYSA-N -1 1 355.439 2.309 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)cc1C ZINC000822241091 599379258 /nfs/dbraw/zinc/37/92/58/599379258.db2.gz KRFSEUQRBNZMHO-MDWZMJQESA-N -1 1 366.406 2.339 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)cc1C ZINC000822241091 599379262 /nfs/dbraw/zinc/37/92/62/599379262.db2.gz KRFSEUQRBNZMHO-MDWZMJQESA-N -1 1 366.406 2.339 20 0 FEADMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)c1C ZINC000822309373 599379604 /nfs/dbraw/zinc/37/96/04/599379604.db2.gz WGIJOIGCFVJWAW-XYOKQWHBSA-N -1 1 366.406 2.339 20 0 FEADMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)c1C ZINC000822309373 599379607 /nfs/dbraw/zinc/37/96/07/599379607.db2.gz WGIJOIGCFVJWAW-XYOKQWHBSA-N -1 1 366.406 2.339 20 0 FEADMM O=C(CCC1CCCCC1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737823195 599414986 /nfs/dbraw/zinc/41/49/86/599414986.db2.gz GWVNHVQVTJDRKC-UHFFFAOYSA-N -1 1 369.473 2.271 20 0 FEADMM O=C(CCC1CCCCC1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737823195 599414989 /nfs/dbraw/zinc/41/49/89/599414989.db2.gz GWVNHVQVTJDRKC-UHFFFAOYSA-N -1 1 369.473 2.271 20 0 FEADMM COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653651 599492717 /nfs/dbraw/zinc/49/27/17/599492717.db2.gz GTYMWAWTILMLPN-CQSZACIVSA-N -1 1 374.401 2.019 20 0 FEADMM COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653651 599492719 /nfs/dbraw/zinc/49/27/19/599492719.db2.gz GTYMWAWTILMLPN-CQSZACIVSA-N -1 1 374.401 2.019 20 0 FEADMM O=C(c1ccccc1)N1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738277786 599538208 /nfs/dbraw/zinc/53/82/08/599538208.db2.gz FOZZMOOQKLNDTK-UHFFFAOYSA-N -1 1 363.425 2.226 20 0 FEADMM O=C(c1ccccc1)N1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738277786 599538209 /nfs/dbraw/zinc/53/82/09/599538209.db2.gz FOZZMOOQKLNDTK-UHFFFAOYSA-N -1 1 363.425 2.226 20 0 FEADMM CC(C)(C)CCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735602728 599563941 /nfs/dbraw/zinc/56/39/41/599563941.db2.gz FZIYRCAHTZESKP-UHFFFAOYSA-N -1 1 373.461 2.207 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821919486 599571329 /nfs/dbraw/zinc/57/13/29/599571329.db2.gz BNWAIFAVZSIKED-NWDGAFQWSA-N -1 1 372.454 2.183 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821919486 599571332 /nfs/dbraw/zinc/57/13/32/599571332.db2.gz BNWAIFAVZSIKED-NWDGAFQWSA-N -1 1 372.454 2.183 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)C(F)(F)F ZINC000822010087 599628200 /nfs/dbraw/zinc/62/82/00/599628200.db2.gz MSCHKVPOZYKYBQ-MRVPVSSYSA-N -1 1 359.308 2.011 20 0 FEADMM O=c1[n-]c([C@@H]2CCCN(C[C@@H](O)c3cccc(C(F)(F)F)c3)C2)n[nH]1 ZINC000808777445 674472219 /nfs/dbraw/zinc/47/22/19/674472219.db2.gz NOCCRDLZSSSXMJ-DGCLKSJQSA-N -1 1 356.348 2.442 20 0 FEADMM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820972363 599683970 /nfs/dbraw/zinc/68/39/70/599683970.db2.gz NTPAATRTNFGKII-MWLCHTKSSA-N -1 1 355.851 2.329 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@H](CN2CCCC2)c2ccccc2)o1 ZINC000740174416 599769237 /nfs/dbraw/zinc/76/92/37/599769237.db2.gz XJOZDFMVAJWUHU-CQSZACIVSA-N -1 1 364.423 2.093 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCSc1ccccc1Cl ZINC000319788301 599777336 /nfs/dbraw/zinc/77/73/36/599777336.db2.gz HLRHSCXSWSJZFE-LBPRGKRZSA-N -1 1 353.831 2.357 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738144021 599804906 /nfs/dbraw/zinc/80/49/06/599804906.db2.gz YJRJSUHAIBFEIK-UHFFFAOYSA-N -1 1 356.382 2.143 20 0 FEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000392718646 599853541 /nfs/dbraw/zinc/85/35/41/599853541.db2.gz YKRWPOHOHADFAO-UHFFFAOYSA-N -1 1 363.391 2.291 20 0 FEADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000739375364 599858474 /nfs/dbraw/zinc/85/84/74/599858474.db2.gz MNQGCBNKBMVNGH-AWEZNQCLSA-N -1 1 369.402 2.050 20 0 FEADMM COCCN1CCC[C@H](NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000737808694 599954655 /nfs/dbraw/zinc/95/46/55/599954655.db2.gz DNDREJMSHCVKGK-KGLIPLIRSA-N -1 1 366.483 2.092 20 0 FEADMM O=C([O-])[C@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)CCO1 ZINC000676231599 599971889 /nfs/dbraw/zinc/97/18/89/599971889.db2.gz MNQREZUADDLIOO-GOSISDBHSA-N -1 1 354.406 2.468 20 0 FEADMM O=C([O-])c1cccn2cc(COC(=O)c3cc(-c4ccco4)n[nH]3)nc12 ZINC000740297617 599988225 /nfs/dbraw/zinc/98/82/25/599988225.db2.gz UIWYVGPBZZCQNQ-UHFFFAOYSA-N -1 1 352.306 2.373 20 0 FEADMM C[C@@H]1CCc2c(sc(NC(=O)CN(CCO)CC3CC3)c2C(=O)[O-])C1 ZINC000736800592 600147191 /nfs/dbraw/zinc/14/71/91/600147191.db2.gz FUBFANXESCQRRG-LLVKDONJSA-N -1 1 366.483 2.214 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCc2ccc(OC(F)F)cc2)CCCCC1 ZINC000739310164 600149729 /nfs/dbraw/zinc/14/97/29/600149729.db2.gz XZQLPSSLQMTHNZ-UHFFFAOYSA-N -1 1 370.396 2.324 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCOc2ccc(Cl)cc2)CCCCC1 ZINC000739309946 600150672 /nfs/dbraw/zinc/15/06/72/600150672.db2.gz WPHPKZFKILKQQQ-UHFFFAOYSA-N -1 1 354.834 2.212 20 0 FEADMM Cc1ccc([C@@H](CNS(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000738570085 600170755 /nfs/dbraw/zinc/17/07/55/600170755.db2.gz OEAXEZWHPGDXMN-GFCCVEGCSA-N -1 1 355.362 2.420 20 0 FEADMM C[C@@](NC(=O)c1n[nH]c2ccc(Br)cc21)(C(=O)[O-])C1CC1 ZINC000736661669 600200800 /nfs/dbraw/zinc/20/08/00/600200800.db2.gz YGVWHQBQQFSTGA-AWEZNQCLSA-N -1 1 352.188 2.309 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1OC ZINC000738041530 600229323 /nfs/dbraw/zinc/22/93/23/600229323.db2.gz LBAOUCCCZGYSAB-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CCCN(CC(N)=O)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000558086195 674482500 /nfs/dbraw/zinc/48/25/00/674482500.db2.gz NMLQFLAOMPANKR-UHFFFAOYSA-N -1 1 366.215 2.040 20 0 FEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000740075041 600290432 /nfs/dbraw/zinc/29/04/32/600290432.db2.gz VLUJQNVZHKZAJJ-GJZGRUSLSA-N -1 1 367.833 2.101 20 0 FEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736825234 600298250 /nfs/dbraw/zinc/29/82/50/600298250.db2.gz MEBDINIPIREGKS-CABCVRRESA-N -1 1 355.438 2.425 20 0 FEADMM O=C([O-])C1(NCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000739308663 600319974 /nfs/dbraw/zinc/31/99/74/600319974.db2.gz SLAAGIHZWDXKEN-INIZCTEOSA-N -1 1 364.417 2.103 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)N(C)Cc1ccccc1 ZINC000390650965 600345306 /nfs/dbraw/zinc/34/53/06/600345306.db2.gz PDTFVAFUTLNLCY-LBPRGKRZSA-N -1 1 368.480 2.245 20 0 FEADMM C[C@H](CN(C)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000736576126 600369937 /nfs/dbraw/zinc/36/99/37/600369937.db2.gz UYTNBZMHOGAXSR-RITPCOANSA-N -1 1 354.275 2.362 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c(C)c1C ZINC000738069560 600376974 /nfs/dbraw/zinc/37/69/74/600376974.db2.gz KWLIYUOYHLERRP-UHFFFAOYSA-N -1 1 356.425 2.196 20 0 FEADMM CN(C(=O)CN1CCN([C@H](C(=O)[O-])c2ccccc2)CC1)C1CCCCC1 ZINC000737322542 600405695 /nfs/dbraw/zinc/40/56/95/600405695.db2.gz OJOARCXHGXPATQ-FQEVSTJZSA-N -1 1 373.497 2.221 20 0 FEADMM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000739568300 600656566 /nfs/dbraw/zinc/65/65/66/600656566.db2.gz LBEXFIHCAQURAO-MSOLQXFVSA-N -1 1 373.497 2.206 20 0 FEADMM Cn1cnnc1-c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000324668931 600673704 /nfs/dbraw/zinc/67/37/04/600673704.db2.gz NLHSKYNBHRSZSJ-UHFFFAOYSA-N -1 1 364.408 2.043 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cs1 ZINC000831348455 600681409 /nfs/dbraw/zinc/68/14/09/600681409.db2.gz PBSUTULPTGHNPH-UHFFFAOYSA-N -1 1 369.420 2.353 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000740066193 600685753 /nfs/dbraw/zinc/68/57/53/600685753.db2.gz MIJMBPWESBNSGD-RDJZCZTQSA-N -1 1 352.390 2.268 20 0 FEADMM CN1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000077255909 600686478 /nfs/dbraw/zinc/68/64/78/600686478.db2.gz HSPDIQMCOYQQMA-UHFFFAOYSA-N -1 1 350.216 2.447 20 0 FEADMM COc1ccc2c(c1)[nH]cc(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c2=O ZINC000832487063 600780570 /nfs/dbraw/zinc/78/05/70/600780570.db2.gz NZHHNPQGXIVZDW-HNNXBMFYSA-N -1 1 366.373 2.135 20 0 FEADMM CC(=O)N(C)C1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000825819159 600820809 /nfs/dbraw/zinc/82/08/09/600820809.db2.gz FIXYWTNAOGXGIR-UHFFFAOYSA-N -1 1 354.834 2.360 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000830955068 600889030 /nfs/dbraw/zinc/88/90/30/600889030.db2.gz ZTPDVPIICCXONU-IAGOWNOFSA-N -1 1 359.470 2.264 20 0 FEADMM Cc1nnc(SCC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])[nH]1 ZINC000832990595 600981102 /nfs/dbraw/zinc/98/11/02/600981102.db2.gz GBEXNKLVPXLYTC-STQMWFEESA-N -1 1 352.460 2.087 20 0 FEADMM Cc1n[nH]c(SCC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000832990595 600981104 /nfs/dbraw/zinc/98/11/04/600981104.db2.gz GBEXNKLVPXLYTC-STQMWFEESA-N -1 1 352.460 2.087 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)c[nH]1 ZINC000833305851 600984572 /nfs/dbraw/zinc/98/45/72/600984572.db2.gz HEJZCAPETIHEHM-UHFFFAOYSA-N -1 1 363.439 2.152 20 0 FEADMM O=S(=O)([N-]CCNc1ccc2ccccc2n1)c1cc(F)ccc1F ZINC000558296607 674490782 /nfs/dbraw/zinc/49/07/82/674490782.db2.gz RSLRPPJFRCWAKG-UHFFFAOYSA-N -1 1 363.389 2.903 20 0 FEADMM O=C(CN1CC[C@H](COCc2ccccc2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833104422 601024409 /nfs/dbraw/zinc/02/44/09/601024409.db2.gz BNKKJLMKJIWDDC-SFHVURJKSA-N -1 1 374.481 2.429 20 0 FEADMM C[C@@](NCC(=O)NCCc1cccc(Cl)c1Cl)(C(=O)[O-])C1CC1 ZINC000827726976 601039730 /nfs/dbraw/zinc/03/97/30/601039730.db2.gz DBJUVUYCGGENNJ-INIZCTEOSA-N -1 1 359.253 2.495 20 0 FEADMM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CCC(=O)N(C)CC(=O)[O-])n2)c1 ZINC000832959342 601042156 /nfs/dbraw/zinc/04/21/56/601042156.db2.gz ABISTJBDUNASLA-KRWDZBQOSA-N -1 1 370.453 2.455 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000827694515 601080519 /nfs/dbraw/zinc/08/05/19/601080519.db2.gz HBPBNBNELGYYMF-SECBINFHSA-N -1 1 370.340 2.157 20 0 FEADMM Clc1ccc([C@@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826351764 607487435 /nfs/dbraw/zinc/48/74/35/607487435.db2.gz ZJYQKMOGBXFRHD-INIZCTEOSA-N -1 1 356.817 2.489 20 0 FEADMM COc1ccc(CCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000630226187 601088993 /nfs/dbraw/zinc/08/89/93/601088993.db2.gz YDWITODAAUIONZ-CYBMUJFWSA-N -1 1 368.861 2.289 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000827368527 601123359 /nfs/dbraw/zinc/12/33/59/601123359.db2.gz FCCQYCLBUAJJRS-NSHDSACASA-N -1 1 370.247 2.462 20 0 FEADMM COc1c(Cl)cccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831851864 601130981 /nfs/dbraw/zinc/13/09/81/601130981.db2.gz LGYICXLGAVXXSJ-NSHDSACASA-N -1 1 355.822 2.361 20 0 FEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000833297316 601131906 /nfs/dbraw/zinc/13/19/06/601131906.db2.gz FQVPSRJFRHMAOE-GFCCVEGCSA-N -1 1 367.833 2.224 20 0 FEADMM Cc1ccc(-c2nnco2)cc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832907659 601133341 /nfs/dbraw/zinc/13/33/41/601133341.db2.gz FHOXWNHXPPQARS-CYBMUJFWSA-N -1 1 373.413 2.058 20 0 FEADMM C[C@](NCC(=O)N1CCC(OCc2ccccc2)CC1)(C(=O)[O-])C1CC1 ZINC000827727494 601173131 /nfs/dbraw/zinc/17/31/31/601173131.db2.gz KGYSFMXEXBTCIX-HXUWFJFHSA-N -1 1 360.454 2.037 20 0 FEADMM C[C@@](NCC(=O)NCc1ccccc1OC1CCCC1)(C(=O)[O-])C1CC1 ZINC000827727694 601175260 /nfs/dbraw/zinc/17/52/60/601175260.db2.gz LJOIILHZIQIHHV-FQEVSTJZSA-N -1 1 360.454 2.467 20 0 FEADMM Cc1[nH]c(C(=O)COC(=O)c2c(F)cc(O)cc2F)c(C)c1C(=O)[O-] ZINC000738154103 601189124 /nfs/dbraw/zinc/18/91/24/601189124.db2.gz FSQNEKPVXYNIDF-UHFFFAOYSA-N -1 1 353.277 2.353 20 0 FEADMM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1(N2CCOCC2)CCCC1 ZINC000827623036 601211310 /nfs/dbraw/zinc/21/13/10/601211310.db2.gz XUCQXWRZXVWRNR-JYJNAYRXSA-N -1 1 352.475 2.027 20 0 FEADMM C[C@H]1CCc2c(sc(NC(=O)CN(C)C[C@H]3CCOC3)c2C(=O)[O-])C1 ZINC000828311180 601383879 /nfs/dbraw/zinc/38/38/79/601383879.db2.gz UVDANRLVXWRIEC-NWDGAFQWSA-N -1 1 366.483 2.478 20 0 FEADMM CCCCNC(=O)[C@H]1CCCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000829396344 601398550 /nfs/dbraw/zinc/39/85/50/601398550.db2.gz NLKOMHIWVKBLSD-AWEZNQCLSA-N -1 1 358.442 2.320 20 0 FEADMM COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(CCCC(=O)[O-])CC1 ZINC000831084515 601425872 /nfs/dbraw/zinc/42/58/72/601425872.db2.gz MOPZRBWPZGUTPC-INIZCTEOSA-N -1 1 354.834 2.037 20 0 FEADMM COC[C@@](C)(CC(=O)[O-])NCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000831586008 601490627 /nfs/dbraw/zinc/49/06/27/601490627.db2.gz RCQAYONJRHRLRK-LJQANCHMSA-N -1 1 361.417 2.470 20 0 FEADMM CCC1CCC(NCC(=O)NCCc2ccc(F)cc2)(C(=O)[O-])CC1 ZINC000829101725 601494076 /nfs/dbraw/zinc/49/40/76/601494076.db2.gz VNDXNSQBWIWSQD-UHFFFAOYSA-N -1 1 350.434 2.498 20 0 FEADMM C[C@@H]1CN(Cc2csc(CNC(=O)c3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000828462543 601510704 /nfs/dbraw/zinc/51/07/04/601510704.db2.gz KQSIPOFAOCQAGU-IUODEOHRSA-N -1 1 359.451 2.226 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000833011516 601513631 /nfs/dbraw/zinc/51/36/31/601513631.db2.gz LZBSSQIPEQXBCH-ISTRZQFTSA-N -1 1 370.453 2.469 20 0 FEADMM C[C@H]1CN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@H]1C(=O)[O-] ZINC000828438902 601535427 /nfs/dbraw/zinc/53/54/27/601535427.db2.gz GSHBGLXVGBRGTO-WCBMZHEXSA-N -1 1 370.331 2.173 20 0 FEADMM C[C@@H]1CN(CC(=O)N[C@@H](c2nccs2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828433442 601536896 /nfs/dbraw/zinc/53/68/96/601536896.db2.gz VAHNSENQKTXUTP-XNRPHZJLSA-N -1 1 359.451 2.001 20 0 FEADMM O=C([O-])CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C1CC1 ZINC000833247501 601580849 /nfs/dbraw/zinc/58/08/49/601580849.db2.gz LPLUPULOHINKHT-UHFFFAOYSA-N -1 1 356.304 2.069 20 0 FEADMM CC(C)(CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000826576042 601666261 /nfs/dbraw/zinc/66/62/61/601666261.db2.gz FFZLLPKEFQSICD-UHFFFAOYSA-N -1 1 351.422 2.200 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(OC)c1 ZINC000751142821 601831382 /nfs/dbraw/zinc/83/13/82/601831382.db2.gz SAXFEZFBMIKCTI-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831248956 601857934 /nfs/dbraw/zinc/85/79/34/601857934.db2.gz RZTYNBMJMPRGSP-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOCCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000809385652 674492536 /nfs/dbraw/zinc/49/25/36/674492536.db2.gz JCCIDTZFDPKDCS-UHFFFAOYSA-N -1 1 367.826 2.361 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CCSC[C@H]2CC(=O)[O-])C2CC2)cc1 ZINC000832929834 601888715 /nfs/dbraw/zinc/88/87/15/601888715.db2.gz FUUDMOAGRCBRQH-QGZVFWFLSA-N -1 1 362.495 2.378 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000828024455 601919341 /nfs/dbraw/zinc/91/93/41/601919341.db2.gz PETLLSCHTFRQMH-SFHVURJKSA-N -1 1 360.410 2.463 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2F)c1-c1nn[nH]n1 ZINC000826303749 607534179 /nfs/dbraw/zinc/53/41/79/607534179.db2.gz CTFFRLMLZNAZRW-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM CN(C)C1(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)CCC1 ZINC000830585193 601942544 /nfs/dbraw/zinc/94/25/44/601942544.db2.gz RXAXNZZYPCDVFA-MRXNPFEDSA-N -1 1 373.453 2.189 20 0 FEADMM COc1cc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c(OC)cc1Cl ZINC000832017564 601951320 /nfs/dbraw/zinc/95/13/20/601951320.db2.gz WFLFIXBNOAPHIY-MRXNPFEDSA-N -1 1 356.806 2.092 20 0 FEADMM Clc1ccc(-n2nnnc2SCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826351221 607537870 /nfs/dbraw/zinc/53/78/70/607537870.db2.gz DCVWOYPLKYDHKU-UHFFFAOYSA-N -1 1 371.817 2.183 20 0 FEADMM Clc1ccc(-n2nnnc2SCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826351221 607537872 /nfs/dbraw/zinc/53/78/72/607537872.db2.gz DCVWOYPLKYDHKU-UHFFFAOYSA-N -1 1 371.817 2.183 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000832917944 602015273 /nfs/dbraw/zinc/01/52/73/602015273.db2.gz RNDOMXJSYREBAX-DGCLKSJQSA-N -1 1 371.393 2.407 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000678931894 602056650 /nfs/dbraw/zinc/05/66/50/602056650.db2.gz GHCMQTUKOFZTLT-UHFFFAOYSA-N -1 1 367.449 2.062 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739604831 602060937 /nfs/dbraw/zinc/06/09/37/602060937.db2.gz ASVYNPXLUWRSBU-CJNGLKHVSA-N -1 1 366.437 2.118 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739609291 602105501 /nfs/dbraw/zinc/10/55/01/602105501.db2.gz UUOQAVDUKWRUII-INIZCTEOSA-N -1 1 366.437 2.118 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CCC1 ZINC000558436769 674495725 /nfs/dbraw/zinc/49/57/25/674495725.db2.gz NDHLNPDEQWIVTJ-UHFFFAOYSA-N -1 1 355.847 2.619 20 0 FEADMM c1cc(NCc2ccnc(-c3nnn[n-]3)c2)cc(OC[C@@H]2CCCO2)c1 ZINC000826516807 607548611 /nfs/dbraw/zinc/54/86/11/607548611.db2.gz BWPLFXWXKYCPFV-INIZCTEOSA-N -1 1 352.398 2.432 20 0 FEADMM c1cc(NCc2ccnc(-c3nn[n-]n3)c2)cc(OC[C@@H]2CCCO2)c1 ZINC000826516807 607548612 /nfs/dbraw/zinc/54/86/12/607548612.db2.gz BWPLFXWXKYCPFV-INIZCTEOSA-N -1 1 352.398 2.432 20 0 FEADMM O=C([O-])N1CCC(CN2CCN(C(=O)c3c(F)cccc3F)CC2)CC1 ZINC000740500491 602183345 /nfs/dbraw/zinc/18/33/45/602183345.db2.gz QWDBOOZQBACJBZ-UHFFFAOYSA-N -1 1 367.396 2.113 20 0 FEADMM COC(=O)C(C)(C)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826098789 607551535 /nfs/dbraw/zinc/55/15/35/607551535.db2.gz OLUKZCVHZLXLOI-UHFFFAOYSA-N -1 1 352.398 2.324 20 0 FEADMM COC(=O)C(C)(C)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826098789 607551537 /nfs/dbraw/zinc/55/15/37/607551537.db2.gz OLUKZCVHZLXLOI-UHFFFAOYSA-N -1 1 352.398 2.324 20 0 FEADMM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000833039851 602200796 /nfs/dbraw/zinc/20/07/96/602200796.db2.gz SBIRLYQJYXIUCY-UHFFFAOYSA-N -1 1 373.818 2.118 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000833324300 602214877 /nfs/dbraw/zinc/21/48/77/602214877.db2.gz BUAJWCQTAGDSJN-LLVKDONJSA-N -1 1 363.313 2.430 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000832908097 602245451 /nfs/dbraw/zinc/24/54/51/602245451.db2.gz RNIFCPGDKYYRFP-CYBMUJFWSA-N -1 1 360.439 2.195 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000740688396 602341402 /nfs/dbraw/zinc/34/14/02/602341402.db2.gz RSVRJZFGIQFVQW-DLBZAZTESA-N -1 1 371.437 2.412 20 0 FEADMM COc1cccc([C@@H](CNC(=O)[C@H](NC(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000739945291 602351194 /nfs/dbraw/zinc/35/11/94/602351194.db2.gz JUQROYWNOFPTDL-QZTJIDSGSA-N -1 1 371.437 2.423 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1cccc(F)c1 ZINC000739608671 602351407 /nfs/dbraw/zinc/35/14/07/602351407.db2.gz QMRHSOULMPYNTP-ZWKOTPCHSA-N -1 1 373.428 2.424 20 0 FEADMM Cc1cccc(NC[C@H]2CCN(Cc3nc(C(C)(C)NC(=O)[O-])no3)C2)n1 ZINC000740170518 602380628 /nfs/dbraw/zinc/38/06/28/602380628.db2.gz JWBWKIGGMCXSKX-CYBMUJFWSA-N -1 1 374.445 2.210 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@H](C)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740182784 602384523 /nfs/dbraw/zinc/38/45/23/602384523.db2.gz JDQNMJFGLLAIKJ-INIZCTEOSA-N -1 1 361.486 2.364 20 0 FEADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738615757 602436426 /nfs/dbraw/zinc/43/64/26/602436426.db2.gz PDMIASZCYDKMNX-HOTGVXAUSA-N -1 1 359.470 2.282 20 0 FEADMM C[C@H](C(=O)NCCc1cccs1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739016676 602463791 /nfs/dbraw/zinc/46/37/91/602463791.db2.gz QYTMWSXYGPOPFS-QWHCGFSZSA-N -1 1 353.488 2.163 20 0 FEADMM Cc1ccc([C@@H](NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000740116227 602532744 /nfs/dbraw/zinc/53/27/44/602532744.db2.gz AWEKTDFZGRWCSX-DNVCBOLYSA-N -1 1 359.470 2.494 20 0 FEADMM CC1(C)CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000736735402 602616682 /nfs/dbraw/zinc/61/66/82/602616682.db2.gz IUYSKOVQDVIPSA-UHFFFAOYSA-N -1 1 374.485 2.435 20 0 FEADMM O=C([O-])NCCCNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000740649152 602632451 /nfs/dbraw/zinc/63/24/51/602632451.db2.gz AIJLDWNTRJOQQB-UHFFFAOYSA-N -1 1 372.429 2.018 20 0 FEADMM CSc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826230898 607578789 /nfs/dbraw/zinc/57/87/89/607578789.db2.gz OBVOHTJGPCAISP-UHFFFAOYSA-N -1 1 366.399 2.495 20 0 FEADMM CSc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826230898 607578790 /nfs/dbraw/zinc/57/87/90/607578790.db2.gz OBVOHTJGPCAISP-UHFFFAOYSA-N -1 1 366.399 2.495 20 0 FEADMM C[C@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738917607 602700580 /nfs/dbraw/zinc/70/05/80/602700580.db2.gz FDQLCPBTJGMNQF-CVEARBPZSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])C[C@H]2C)N2CCCC2)o1 ZINC000740119578 602749143 /nfs/dbraw/zinc/74/91/43/602749143.db2.gz XHZCYRRRFSVJAG-HIFRSBDPSA-N -1 1 364.446 2.119 20 0 FEADMM CC(=O)Nc1ccc2c(CN3CC[C@@H](NC(=O)[O-])[C@H](C)C3)cc(=O)oc2c1 ZINC000738571438 602762872 /nfs/dbraw/zinc/76/28/72/602762872.db2.gz FEPUSJJDIDKNTN-BDJLRTHQSA-N -1 1 373.409 2.229 20 0 FEADMM CC(=O)Nc1ccc2c(CN3CC[C@H](NC(=O)[O-])[C@H](C)C3)cc(=O)oc2c1 ZINC000738571439 602763279 /nfs/dbraw/zinc/76/32/79/602763279.db2.gz FEPUSJJDIDKNTN-BZNIZROVSA-N -1 1 373.409 2.229 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000738963360 602770461 /nfs/dbraw/zinc/77/04/61/602770461.db2.gz XDBUVMOEJSSTGJ-XUJVJEKNSA-N -1 1 353.850 2.495 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739502249 602773132 /nfs/dbraw/zinc/77/31/32/602773132.db2.gz PUSLOUXETUZWHJ-WMLDXEAASA-N -1 1 363.458 2.022 20 0 FEADMM CC(C)[C@H](CNC(=O)c1n[nH]c2ccc(Br)cc21)NC(=O)[O-] ZINC000738794846 602776288 /nfs/dbraw/zinc/77/62/88/602776288.db2.gz SGZWSIPVSAKHFG-NSHDSACASA-N -1 1 369.219 2.347 20 0 FEADMM CCC1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825191332 607592332 /nfs/dbraw/zinc/59/23/32/607592332.db2.gz AACFZTPFBHKJSQ-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM CCC1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825191332 607592334 /nfs/dbraw/zinc/59/23/34/607592334.db2.gz AACFZTPFBHKJSQ-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000739982088 602890359 /nfs/dbraw/zinc/89/03/59/602890359.db2.gz ZKVLEPGEBOPOQR-KRWDZBQOSA-N -1 1 361.442 2.091 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-])c1cccs1 ZINC000827994536 603003646 /nfs/dbraw/zinc/00/36/46/603003646.db2.gz LZWWTORSMGLSFP-YNEHKIRRSA-N -1 1 354.476 2.086 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000740534760 603026289 /nfs/dbraw/zinc/02/62/89/603026289.db2.gz LGFPHLPRZNGDOV-HNNXBMFYSA-N -1 1 351.366 2.085 20 0 FEADMM CN(C(=O)[O-])c1ccc(OC(=O)c2ccccc2NS(C)(=O)=O)cc1 ZINC000827914041 603052308 /nfs/dbraw/zinc/05/23/08/603052308.db2.gz DPRDYIJYSPMQSC-UHFFFAOYSA-N -1 1 364.379 2.392 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000740517263 603057857 /nfs/dbraw/zinc/05/78/57/603057857.db2.gz OFAXSKIYTWLYKX-LSDHHAIUSA-N -1 1 370.409 2.473 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3cccs3)cc2)n1 ZINC000740681267 603060178 /nfs/dbraw/zinc/06/01/78/603060178.db2.gz CEXYRTIUPZCBRH-UHFFFAOYSA-N -1 1 357.395 2.482 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3cccs3)cc2)n[nH]1 ZINC000740681267 603060183 /nfs/dbraw/zinc/06/01/83/603060183.db2.gz CEXYRTIUPZCBRH-UHFFFAOYSA-N -1 1 357.395 2.482 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)nc1Cl ZINC000826466975 607604705 /nfs/dbraw/zinc/60/47/05/607604705.db2.gz BNMDUMPVASFCEC-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)nc1Cl ZINC000826466975 607604706 /nfs/dbraw/zinc/60/47/06/607604706.db2.gz BNMDUMPVASFCEC-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000738996848 603132332 /nfs/dbraw/zinc/13/23/32/603132332.db2.gz SBZCECZNVCWFPD-MFKMUULPSA-N -1 1 359.348 2.052 20 0 FEADMM Cc1cccc2c1CC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305355 607609163 /nfs/dbraw/zinc/60/91/63/607609163.db2.gz TWOGRJWDWMPKBV-CQSZACIVSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1cccc2c1CC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305355 607609165 /nfs/dbraw/zinc/60/91/65/607609165.db2.gz TWOGRJWDWMPKBV-CQSZACIVSA-N -1 1 373.413 2.280 20 0 FEADMM COCCN(CC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1)C(=O)[O-] ZINC000739815835 603142214 /nfs/dbraw/zinc/14/22/14/603142214.db2.gz HSZKVVPWNNDXMJ-CQSZACIVSA-N -1 1 374.441 2.204 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)cc2)CC1 ZINC000739736299 603156069 /nfs/dbraw/zinc/15/60/69/603156069.db2.gz ISBNDWGGNCDKNW-GDBMZVCRSA-N -1 1 360.458 2.203 20 0 FEADMM O=C([O-])Nc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)ccc1F ZINC000740695236 603192733 /nfs/dbraw/zinc/19/27/33/603192733.db2.gz GIOSSFTYIUJOBR-UHFFFAOYSA-N -1 1 365.405 2.100 20 0 FEADMM CCCOc1cccc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825342180 607613517 /nfs/dbraw/zinc/61/35/17/607613517.db2.gz PZPCIWLDJCCQMT-UHFFFAOYSA-N -1 1 353.382 2.336 20 0 FEADMM CCCOc1cccc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825342180 607613519 /nfs/dbraw/zinc/61/35/19/607613519.db2.gz PZPCIWLDJCCQMT-UHFFFAOYSA-N -1 1 353.382 2.336 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000830085209 603233184 /nfs/dbraw/zinc/23/31/84/603233184.db2.gz PHQNCRLLTFDKKN-UHFFFAOYSA-N -1 1 360.458 2.075 20 0 FEADMM C[C@@H]1CCC[C@@H](C)C1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824929140 607618555 /nfs/dbraw/zinc/61/85/55/607618555.db2.gz WITJTNSTBBBBAC-NXEZZACHSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CCC[C@@H](C)C1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824929140 607618557 /nfs/dbraw/zinc/61/85/57/607618557.db2.gz WITJTNSTBBBBAC-NXEZZACHSA-N -1 1 353.423 2.109 20 0 FEADMM O=C([O-])N[C@@H](C(=O)N1CCN2CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000740528778 603291370 /nfs/dbraw/zinc/29/13/70/603291370.db2.gz BBDAIDVMPWYBGD-LSDHHAIUSA-N -1 1 351.834 2.345 20 0 FEADMM O=C([O-])N1CC[C@@H](C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000740495112 603296810 /nfs/dbraw/zinc/29/68/10/603296810.db2.gz WMENTEPTFFAJHI-OAHLLOKOSA-N -1 1 369.425 2.178 20 0 FEADMM C[C@H](CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738898800 603355297 /nfs/dbraw/zinc/35/52/97/603355297.db2.gz BBDAUHUDVOHFNR-KGLIPLIRSA-N -1 1 352.435 2.152 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000832757909 603565259 /nfs/dbraw/zinc/56/52/59/603565259.db2.gz QQSKRXALWIOVJT-KSZLIROESA-N -1 1 358.442 2.177 20 0 FEADMM CN(C[C@@H]1CCCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1)C(=O)[O-] ZINC000828224033 603576886 /nfs/dbraw/zinc/57/68/86/603576886.db2.gz SSOHGTWIJDXWJV-AWEZNQCLSA-N -1 1 370.453 2.127 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000832829577 603584930 /nfs/dbraw/zinc/58/49/30/603584930.db2.gz WBYMLCUJTDFJGX-LBPRGKRZSA-N -1 1 367.833 2.224 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000830257668 603644620 /nfs/dbraw/zinc/64/46/20/603644620.db2.gz WDPZJGBDMPXMEV-GJZGRUSLSA-N -1 1 364.446 2.119 20 0 FEADMM CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000823627616 603734426 /nfs/dbraw/zinc/73/44/26/603734426.db2.gz IXGSOHSISSSMID-UHFFFAOYSA-N -1 1 368.353 2.022 20 0 FEADMM CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000823627616 603734429 /nfs/dbraw/zinc/73/44/29/603734429.db2.gz IXGSOHSISSSMID-UHFFFAOYSA-N -1 1 368.353 2.022 20 0 FEADMM CCn1nc(C)cc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000827717579 603735343 /nfs/dbraw/zinc/73/53/43/603735343.db2.gz NRSCJJYPTDMLAY-UHFFFAOYSA-N -1 1 369.385 2.016 20 0 FEADMM CCn1nc(C)cc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000827717579 603735344 /nfs/dbraw/zinc/73/53/44/603735344.db2.gz NRSCJJYPTDMLAY-UHFFFAOYSA-N -1 1 369.385 2.016 20 0 FEADMM CN(C[C@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1)C(=O)[O-] ZINC000828253007 603753643 /nfs/dbraw/zinc/75/36/43/603753643.db2.gz FZUBPDVINGLEHS-CQSZACIVSA-N -1 1 354.410 2.319 20 0 FEADMM CN(C(=O)[O-])C1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000827871706 603769192 /nfs/dbraw/zinc/76/91/92/603769192.db2.gz QMZYLEHMKPTGBV-UHFFFAOYSA-N -1 1 354.410 2.462 20 0 FEADMM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000832482184 603846792 /nfs/dbraw/zinc/84/67/92/603846792.db2.gz MSVSDMDOHYHTLY-RHSMWYFYSA-N -1 1 354.410 2.413 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCN1C(=O)[O-] ZINC000825997177 603887367 /nfs/dbraw/zinc/88/73/67/603887367.db2.gz XDCDGIHRHWWQRK-CABCVRRESA-N -1 1 364.446 2.200 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1cccc(F)c1 ZINC000828200764 603888146 /nfs/dbraw/zinc/88/81/46/603888146.db2.gz ZPMGMCWTCDNROD-HOTGVXAUSA-N -1 1 366.437 2.212 20 0 FEADMM COC(=O)c1ccc(OCCN2CCC[C@H](CNC(=O)[O-])C2)c(Cl)c1 ZINC000828788263 604039374 /nfs/dbraw/zinc/03/93/74/604039374.db2.gz DJRXFRYBBZYZKO-GFCCVEGCSA-N -1 1 370.833 2.485 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000828298753 604046249 /nfs/dbraw/zinc/04/62/49/604046249.db2.gz XAFUERSRGVWEPL-CQSZACIVSA-N -1 1 356.854 2.242 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000825256377 604258958 /nfs/dbraw/zinc/25/89/58/604258958.db2.gz WZVCDXLPPFKUMJ-HZPDHXFCSA-N -1 1 359.470 2.203 20 0 FEADMM COc1ccccc1-c1n[nH]c(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1 ZINC000832582736 604368508 /nfs/dbraw/zinc/36/85/08/604368508.db2.gz GWKUAZWCYYOVFN-UHFFFAOYSA-N -1 1 355.354 2.376 20 0 FEADMM CCN(C1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1)S(C)(=O)=O ZINC000829618740 604383803 /nfs/dbraw/zinc/38/38/03/604383803.db2.gz FMWPHPBBERMBTH-GFCCVEGCSA-N -1 1 358.460 2.093 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])n[nH]2)cc1 ZINC000832112713 604450128 /nfs/dbraw/zinc/45/01/28/604450128.db2.gz WWQDXTHIKJOHEQ-MRXNPFEDSA-N -1 1 361.398 2.036 20 0 FEADMM Cc1[nH]c(SCC(=O)N2CC[C@@H](NC(=O)[O-])C2)nc1Cc1ccccc1 ZINC000740028754 604476430 /nfs/dbraw/zinc/47/64/30/604476430.db2.gz WXJXNWKGTPTSCE-CQSZACIVSA-N -1 1 374.466 2.270 20 0 FEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825383531 604615926 /nfs/dbraw/zinc/61/59/26/604615926.db2.gz TXPRRTLOONLQOC-YOEHRIQHSA-N -1 1 362.474 2.497 20 0 FEADMM CC(C)Cc1noc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC000833494903 604617437 /nfs/dbraw/zinc/61/74/37/604617437.db2.gz SJRSTBMHKBOMBE-HXUWFJFHSA-N -1 1 372.469 2.477 20 0 FEADMM COC(=O)c1ccc(N2CCN(Cc3c[nH]c(C(=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000833715834 604621708 /nfs/dbraw/zinc/62/17/08/604621708.db2.gz GLIQQQKSDYSIMO-ZDUSSCGKSA-N -1 1 357.410 2.210 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)c2cnc3c(C)cc(C)cc3c2O)s[n-]1 ZINC000559056882 674526023 /nfs/dbraw/zinc/52/60/23/674526023.db2.gz QPKGERMTJDDSPH-JTQLQIEISA-N -1 1 358.423 2.378 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)[O-])C2)n[nH]1 ZINC000830735684 604644271 /nfs/dbraw/zinc/64/42/71/604644271.db2.gz STJZMNSHXNTVBG-RBSFLKMASA-N -1 1 363.462 2.426 20 0 FEADMM CCOc1ccnc(N2CCCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)n1 ZINC000830117372 604682255 /nfs/dbraw/zinc/68/22/55/604682255.db2.gz WMSMLUXGEGXRKF-UHFFFAOYSA-N -1 1 360.414 2.187 20 0 FEADMM COc1cc2nc(CN(C[C@H](C)C(=O)[O-])C3CC3)[nH]c(=O)c2cc1OC ZINC000832112762 604743608 /nfs/dbraw/zinc/74/36/08/604743608.db2.gz YUYSWONUORMFPC-JTQLQIEISA-N -1 1 361.398 2.038 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1F ZINC000833728979 604747433 /nfs/dbraw/zinc/74/74/33/604747433.db2.gz NADXOZLIOMSLHE-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CC(C)n1ncc2cc(S(=O)(=O)Nc3cc(C(=O)[O-])n(C)c3)ccc21 ZINC000827200849 604769561 /nfs/dbraw/zinc/76/95/61/604769561.db2.gz KBGSQSSBPDPBIZ-UHFFFAOYSA-N -1 1 362.411 2.455 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCOc1ccccc1F ZINC000826295121 607719355 /nfs/dbraw/zinc/71/93/55/607719355.db2.gz SDVPDKIZNIPVCH-UHFFFAOYSA-N -1 1 366.356 2.103 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000833551241 604946544 /nfs/dbraw/zinc/94/65/44/604946544.db2.gz QZTPBMBNDFSWJC-GDBMZVCRSA-N -1 1 360.458 2.113 20 0 FEADMM COc1cc(OC)c(NC(=O)CN2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000833728670 604970075 /nfs/dbraw/zinc/97/00/75/604970075.db2.gz JHVXEGSPUNZQHE-JTQLQIEISA-N -1 1 356.806 2.235 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833545875 604984083 /nfs/dbraw/zinc/98/40/83/604984083.db2.gz BAFVAQVYEDEDNT-SJKOYZFVSA-N -1 1 368.861 2.017 20 0 FEADMM O=C([O-])[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1cccnc1 ZINC000833165791 604996427 /nfs/dbraw/zinc/99/64/27/604996427.db2.gz LQGVXUPXXNHYRC-ZDUSSCGKSA-N -1 1 365.183 2.488 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1ccc(Cl)cc1 ZINC000833627119 605048381 /nfs/dbraw/zinc/04/83/81/605048381.db2.gz UFIDDVCYCQWRNM-CQSZACIVSA-N -1 1 367.877 2.463 20 0 FEADMM CN(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000833692021 605052819 /nfs/dbraw/zinc/05/28/19/605052819.db2.gz JVAKCNNXIKAQNG-KGLIPLIRSA-N -1 1 356.875 2.409 20 0 FEADMM CCOc1cc(C)ccc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833663638 605057350 /nfs/dbraw/zinc/05/73/50/605057350.db2.gz SLMSWLKJHZUUMA-OAHLLOKOSA-N -1 1 363.458 2.084 20 0 FEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1F ZINC000833514178 605110489 /nfs/dbraw/zinc/11/04/89/605110489.db2.gz PRYDMQXEBOEIGB-CHWSQXEVSA-N -1 1 354.397 2.466 20 0 FEADMM Cc1[nH]c(SCC(=O)N2CC[C@H](NC(=O)[O-])C2)nc1Cc1ccccc1 ZINC000740028753 605124472 /nfs/dbraw/zinc/12/44/72/605124472.db2.gz WXJXNWKGTPTSCE-AWEZNQCLSA-N -1 1 374.466 2.270 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000833627210 605159763 /nfs/dbraw/zinc/15/97/63/605159763.db2.gz UTHGLRABRSQVPI-AWEZNQCLSA-N -1 1 369.421 2.075 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C[C@@H]1C ZINC000833657612 605164727 /nfs/dbraw/zinc/16/47/27/605164727.db2.gz MZPANVQSIJJDAX-RYUDHWBXSA-N -1 1 363.414 2.118 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CCN1CCC(=O)[O-] ZINC000833618410 605253997 /nfs/dbraw/zinc/25/39/97/605253997.db2.gz NPKTYSUGEDLREH-AGIUHOORSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@H]1CN(C(=O)/C=C/c2ccnc3ccccc23)CCN1CCC(=O)[O-] ZINC000833617502 605276922 /nfs/dbraw/zinc/27/69/22/605276922.db2.gz DDPMJWRFJKDIRU-LFAOLKIESA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CCN1CCC(=O)[O-] ZINC000833621426 605278801 /nfs/dbraw/zinc/27/88/01/605278801.db2.gz IAOWGUMFDIEBIZ-GFCCVEGCSA-N -1 1 358.360 2.255 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000834287369 605424494 /nfs/dbraw/zinc/42/44/94/605424494.db2.gz KCLDFEWZPNVDHW-CVEARBPZSA-N -1 1 369.425 2.466 20 0 FEADMM CCCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CCN(C(=O)[O-])CC1 ZINC000833853815 605438372 /nfs/dbraw/zinc/43/83/72/605438372.db2.gz NDMUYYFFAQJPHE-UHFFFAOYSA-N -1 1 357.414 2.466 20 0 FEADMM CN(C)Cc1ccc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])cc1F ZINC000828046812 605441286 /nfs/dbraw/zinc/44/12/86/605441286.db2.gz RSLRKPHGSLCBOA-CYBMUJFWSA-N -1 1 355.435 2.311 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000834026866 605515314 /nfs/dbraw/zinc/51/53/14/605515314.db2.gz NPZNUMMHIPZFLR-YOEHRIQHSA-N -1 1 363.433 2.296 20 0 FEADMM CCN(CC)[C@H](CNC(=O)C[C@H]1CSCCN1C(=O)[O-])c1ccco1 ZINC000827036043 605624842 /nfs/dbraw/zinc/62/48/42/605624842.db2.gz PBHCYDDMORCCJM-UONOGXRCSA-N -1 1 369.487 2.264 20 0 FEADMM Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)ccc1NC(=O)[O-] ZINC000829961741 605698008 /nfs/dbraw/zinc/69/80/08/605698008.db2.gz KNRSIAODOBDPIX-UHFFFAOYSA-N -1 1 370.409 2.498 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000833833194 605890239 /nfs/dbraw/zinc/89/02/39/605890239.db2.gz XAGBHGLIHAFYDV-JMSVASOKSA-N -1 1 351.834 2.423 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cccc(F)n3)cc2)n1 ZINC000834247964 605935031 /nfs/dbraw/zinc/93/50/31/605935031.db2.gz ZOOJYTUQALESMI-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cccc(F)n3)cc2)n[nH]1 ZINC000834247964 605935034 /nfs/dbraw/zinc/93/50/34/605935034.db2.gz ZOOJYTUQALESMI-UHFFFAOYSA-N -1 1 356.317 2.026 20 0 FEADMM CC(C)CN1Cc2cccc(NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)c2C1 ZINC000833795863 605960599 /nfs/dbraw/zinc/96/05/99/605960599.db2.gz HCXJLLOWCDCGEM-OAHLLOKOSA-N -1 1 361.442 2.366 20 0 FEADMM O=C([O-])NCCOc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000834244937 606080969 /nfs/dbraw/zinc/08/09/69/606080969.db2.gz HCDPTLQTTQJZPK-UHFFFAOYSA-N -1 1 371.802 2.182 20 0 FEADMM O=C([O-])N[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834252096 606094516 /nfs/dbraw/zinc/09/45/16/606094516.db2.gz XUCBRCAFOWPKCB-CABCVRRESA-N -1 1 369.425 2.397 20 0 FEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000820920170 606160827 /nfs/dbraw/zinc/16/08/27/606160827.db2.gz MIPYOJMIUALQRV-AWEZNQCLSA-N -1 1 368.445 2.478 20 0 FEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000820920170 606160829 /nfs/dbraw/zinc/16/08/29/606160829.db2.gz MIPYOJMIUALQRV-AWEZNQCLSA-N -1 1 368.445 2.478 20 0 FEADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000822351850 606161207 /nfs/dbraw/zinc/16/12/07/606161207.db2.gz RPIXTSFQWBHOPV-CHWSQXEVSA-N -1 1 366.429 2.319 20 0 FEADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000822351850 606161209 /nfs/dbraw/zinc/16/12/09/606161209.db2.gz RPIXTSFQWBHOPV-CHWSQXEVSA-N -1 1 366.429 2.319 20 0 FEADMM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820299155 606161890 /nfs/dbraw/zinc/16/18/90/606161890.db2.gz CNTRRXAJFUNILZ-SECBINFHSA-N -1 1 360.809 2.006 20 0 FEADMM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820299155 606161892 /nfs/dbraw/zinc/16/18/92/606161892.db2.gz CNTRRXAJFUNILZ-SECBINFHSA-N -1 1 360.809 2.006 20 0 FEADMM COC(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821664644 606293974 /nfs/dbraw/zinc/29/39/74/606293974.db2.gz CUKFQSYFZRPPHT-UHFFFAOYSA-N -1 1 354.326 2.003 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1coc(Br)c1 ZINC000823294645 606294819 /nfs/dbraw/zinc/29/48/19/606294819.db2.gz LTFOWJGGWKWWFT-UHFFFAOYSA-N -1 1 350.132 2.180 20 0 FEADMM O=C(Cc1ccccc1OC(F)F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823115434 606295965 /nfs/dbraw/zinc/29/59/65/606295965.db2.gz NTPDQUIJVVCGJW-UHFFFAOYSA-N -1 1 361.308 2.355 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cnc(C)s2)n[n-]1 ZINC000559289763 674536257 /nfs/dbraw/zinc/53/62/57/674536257.db2.gz FQQXGMCEUTYSHA-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cnc(C)s2)[n-]1 ZINC000559289763 674536258 /nfs/dbraw/zinc/53/62/58/674536258.db2.gz FQQXGMCEUTYSHA-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cnc(C)s2)n1 ZINC000559289763 674536260 /nfs/dbraw/zinc/53/62/60/674536260.db2.gz FQQXGMCEUTYSHA-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nc1 ZINC000810203935 674537080 /nfs/dbraw/zinc/53/70/80/674537080.db2.gz GTUPVPPCHWTVFI-SNVBAGLBSA-N -1 1 360.336 2.013 20 0 FEADMM c1ccc(CCCO[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000823779320 606429844 /nfs/dbraw/zinc/42/98/44/606429844.db2.gz AFTQIRRAAPUASB-MRXNPFEDSA-N -1 1 350.426 2.490 20 0 FEADMM c1ccc(CCCO[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000823779320 606429845 /nfs/dbraw/zinc/42/98/45/606429845.db2.gz AFTQIRRAAPUASB-MRXNPFEDSA-N -1 1 350.426 2.490 20 0 FEADMM COc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc(OC)c1O ZINC000821716650 606460876 /nfs/dbraw/zinc/46/08/76/606460876.db2.gz DMVZRAPPOBLOEJ-UHFFFAOYSA-N -1 1 362.777 2.250 20 0 FEADMM COc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc(OC)c1O ZINC000821716650 606460878 /nfs/dbraw/zinc/46/08/78/606460878.db2.gz DMVZRAPPOBLOEJ-UHFFFAOYSA-N -1 1 362.777 2.250 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822486252 606553927 /nfs/dbraw/zinc/55/39/27/606553927.db2.gz DDALWKIZHBMRKR-NSHDSACASA-N -1 1 357.443 2.256 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822486252 606553928 /nfs/dbraw/zinc/55/39/28/606553928.db2.gz DDALWKIZHBMRKR-NSHDSACASA-N -1 1 357.443 2.256 20 0 FEADMM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350383 606561425 /nfs/dbraw/zinc/56/14/25/606561425.db2.gz LCIMJTTZCBOUIS-UHFFFAOYSA-N -1 1 372.385 2.446 20 0 FEADMM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350383 606561427 /nfs/dbraw/zinc/56/14/27/606561427.db2.gz LCIMJTTZCBOUIS-UHFFFAOYSA-N -1 1 372.385 2.446 20 0 FEADMM Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822034563 606564772 /nfs/dbraw/zinc/56/47/72/606564772.db2.gz HFPNORLZZIGIHS-DEOSSOPVSA-N -1 1 361.452 2.367 20 0 FEADMM Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822034563 606564773 /nfs/dbraw/zinc/56/47/73/606564773.db2.gz HFPNORLZZIGIHS-DEOSSOPVSA-N -1 1 361.452 2.367 20 0 FEADMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821854190 606573126 /nfs/dbraw/zinc/57/31/26/606573126.db2.gz HRHJOGHDOLVJEN-NSHDSACASA-N -1 1 357.395 2.190 20 0 FEADMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821854190 606573127 /nfs/dbraw/zinc/57/31/27/606573127.db2.gz HRHJOGHDOLVJEN-NSHDSACASA-N -1 1 357.395 2.190 20 0 FEADMM COC(=O)CCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821660399 606611340 /nfs/dbraw/zinc/61/13/40/606611340.db2.gz PQJYWMZUEFKKPR-UHFFFAOYSA-N -1 1 350.810 2.085 20 0 FEADMM COC(=O)CCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821660399 606611341 /nfs/dbraw/zinc/61/13/41/606611341.db2.gz PQJYWMZUEFKKPR-UHFFFAOYSA-N -1 1 350.810 2.085 20 0 FEADMM Cc1oc(NC(=O)COC(=O)/C=C2/CC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548359 606636080 /nfs/dbraw/zinc/63/60/80/606636080.db2.gz JJJWSGDHLDGLLJ-PPLKPFPSSA-N -1 1 359.386 2.305 20 0 FEADMM CCO[C@@H](C)c1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000821347227 606648914 /nfs/dbraw/zinc/64/89/14/606648914.db2.gz UEIOGFURBDFVIW-VIFPVBQESA-N -1 1 360.399 2.173 20 0 FEADMM CCO[C@@H](C)c1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000821347227 606648915 /nfs/dbraw/zinc/64/89/15/606648915.db2.gz UEIOGFURBDFVIW-VIFPVBQESA-N -1 1 360.399 2.173 20 0 FEADMM O=C(Cc1ccc(Br)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082110 606649624 /nfs/dbraw/zinc/64/96/24/606649624.db2.gz AGZIFKXQNILSEZ-UHFFFAOYSA-N -1 1 374.198 2.310 20 0 FEADMM O=C(Cc1ccc(Br)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082110 606649625 /nfs/dbraw/zinc/64/96/25/606649625.db2.gz AGZIFKXQNILSEZ-UHFFFAOYSA-N -1 1 374.198 2.310 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(Cl)c(Cl)c1 ZINC000823436246 606649984 /nfs/dbraw/zinc/64/99/84/606649984.db2.gz NNPMSCJDQJGVOQ-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(Cl)c(Cl)c1 ZINC000823436246 606649985 /nfs/dbraw/zinc/64/99/85/606649985.db2.gz NNPMSCJDQJGVOQ-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Nc2ncccn2)c1 ZINC000823436041 606653967 /nfs/dbraw/zinc/65/39/67/606653967.db2.gz FMSZHDHXFPNMTA-UHFFFAOYSA-N -1 1 374.364 2.152 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Nc2ncccn2)c1 ZINC000823436041 606653968 /nfs/dbraw/zinc/65/39/68/606653968.db2.gz FMSZHDHXFPNMTA-UHFFFAOYSA-N -1 1 374.364 2.152 20 0 FEADMM O=C(COC/C=C\c1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823032384 606925318 /nfs/dbraw/zinc/92/53/18/606925318.db2.gz RSRHKLAOJTXUHC-DAXSKMNVSA-N -1 1 351.366 2.035 20 0 FEADMM O=C(COC/C=C\c1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823032384 606925319 /nfs/dbraw/zinc/92/53/19/606925319.db2.gz RSRHKLAOJTXUHC-DAXSKMNVSA-N -1 1 351.366 2.035 20 0 FEADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822704451 606954375 /nfs/dbraw/zinc/95/43/75/606954375.db2.gz LJOITCVJFDEZFA-UHFFFAOYSA-N -1 1 352.402 2.295 20 0 FEADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822704451 606954377 /nfs/dbraw/zinc/95/43/77/606954377.db2.gz LJOITCVJFDEZFA-UHFFFAOYSA-N -1 1 352.402 2.295 20 0 FEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822458653 607023361 /nfs/dbraw/zinc/02/33/61/607023361.db2.gz HNTHJCJQUIIBAC-UHFFFAOYSA-N -1 1 369.414 2.210 20 0 FEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822458653 607023362 /nfs/dbraw/zinc/02/33/62/607023362.db2.gz HNTHJCJQUIIBAC-UHFFFAOYSA-N -1 1 369.414 2.210 20 0 FEADMM CCOc1ncc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1Cl ZINC000821438066 607109439 /nfs/dbraw/zinc/10/94/39/607109439.db2.gz SJSPZBMKNNTETC-UHFFFAOYSA-N -1 1 351.779 2.023 20 0 FEADMM CCOc1ncc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1Cl ZINC000821438066 607109440 /nfs/dbraw/zinc/10/94/40/607109440.db2.gz SJSPZBMKNNTETC-UHFFFAOYSA-N -1 1 351.779 2.023 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000820055250 607140079 /nfs/dbraw/zinc/14/00/79/607140079.db2.gz GXAUDWSIGOVHQZ-SNVBAGLBSA-N -1 1 365.459 2.414 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000820055250 607140081 /nfs/dbraw/zinc/14/00/81/607140081.db2.gz GXAUDWSIGOVHQZ-SNVBAGLBSA-N -1 1 365.459 2.414 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823797116 607176984 /nfs/dbraw/zinc/17/69/84/607176984.db2.gz KVJVUAZEAIZEQN-GTNSWQLSSA-N -1 1 369.454 2.277 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823797116 607176985 /nfs/dbraw/zinc/17/69/85/607176985.db2.gz KVJVUAZEAIZEQN-GTNSWQLSSA-N -1 1 369.454 2.277 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525859 607222595 /nfs/dbraw/zinc/22/25/95/607222595.db2.gz UWZDTSKYPJKBOT-GDBMZVCRSA-N -1 1 368.441 2.406 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525859 607222596 /nfs/dbraw/zinc/22/25/96/607222596.db2.gz UWZDTSKYPJKBOT-GDBMZVCRSA-N -1 1 368.441 2.406 20 0 FEADMM c1ccc(CO[C@@H]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)nc1 ZINC000823786967 607226243 /nfs/dbraw/zinc/22/62/43/607226243.db2.gz FUNWRHXCOHTDMV-CQSZACIVSA-N -1 1 374.408 2.000 20 0 FEADMM c1ccc(CO[C@@H]2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)nc1 ZINC000823786967 607226244 /nfs/dbraw/zinc/22/62/44/607226244.db2.gz FUNWRHXCOHTDMV-CQSZACIVSA-N -1 1 374.408 2.000 20 0 FEADMM CCc1onc(C)c1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825777394 608009163 /nfs/dbraw/zinc/00/91/63/608009163.db2.gz VNJLDNYNEQZWLS-UHFFFAOYSA-N -1 1 371.401 2.014 20 0 FEADMM COc1ccccc1[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccccn1 ZINC000826219357 608017084 /nfs/dbraw/zinc/01/70/84/608017084.db2.gz ZKGBNOQQVOJSOJ-HNNXBMFYSA-N -1 1 360.381 2.262 20 0 FEADMM COc1ccccc1[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccccn1 ZINC000826219357 608017085 /nfs/dbraw/zinc/01/70/85/608017085.db2.gz ZKGBNOQQVOJSOJ-HNNXBMFYSA-N -1 1 360.381 2.262 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1CC[C@H](C)O1 ZINC000826341065 608077088 /nfs/dbraw/zinc/07/70/88/608077088.db2.gz VKLDLIHYHBKUDW-CMPLNLGQSA-N -1 1 357.370 2.283 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1CC[C@H](C)O1 ZINC000826341065 608077089 /nfs/dbraw/zinc/07/70/89/608077089.db2.gz VKLDLIHYHBKUDW-CMPLNLGQSA-N -1 1 357.370 2.283 20 0 FEADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824080104 608125403 /nfs/dbraw/zinc/12/54/03/608125403.db2.gz UOOMUPNECHTVRE-SNVBAGLBSA-N -1 1 353.423 2.063 20 0 FEADMM O=C(OCc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826467807 608143571 /nfs/dbraw/zinc/14/35/71/608143571.db2.gz MOQTYOZXSJHJBF-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM O=C(OCc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826467807 608143572 /nfs/dbraw/zinc/14/35/72/608143572.db2.gz MOQTYOZXSJHJBF-UHFFFAOYSA-N -1 1 350.260 2.033 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(SC(F)F)cc1 ZINC000826424880 608147485 /nfs/dbraw/zinc/14/74/85/608147485.db2.gz HFZTUXBXTYRHAH-UHFFFAOYSA-N -1 1 351.342 2.017 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(SC(F)F)cc1 ZINC000826424880 608147486 /nfs/dbraw/zinc/14/74/86/608147486.db2.gz HFZTUXBXTYRHAH-UHFFFAOYSA-N -1 1 351.342 2.017 20 0 FEADMM O=C1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CN1C1CCCCC1 ZINC000826478685 608191687 /nfs/dbraw/zinc/19/16/87/608191687.db2.gz HVHBMLQLYCEYMZ-MRVPVSSYSA-N -1 1 367.866 2.322 20 0 FEADMM O=C1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CN1C1CCCCC1 ZINC000826478685 608191688 /nfs/dbraw/zinc/19/16/88/608191688.db2.gz HVHBMLQLYCEYMZ-MRVPVSSYSA-N -1 1 367.866 2.322 20 0 FEADMM CC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCN1CC(F)F ZINC000825219847 608234904 /nfs/dbraw/zinc/23/49/04/608234904.db2.gz MWRPPGVSKSHOLD-SSDOTTSWSA-N -1 1 363.825 2.142 20 0 FEADMM CC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCN1CC(F)F ZINC000825219847 608234905 /nfs/dbraw/zinc/23/49/05/608234905.db2.gz MWRPPGVSKSHOLD-SSDOTTSWSA-N -1 1 363.825 2.142 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826229895 608252437 /nfs/dbraw/zinc/25/24/37/608252437.db2.gz VZTFRDLFDJPBGB-UHFFFAOYSA-N -1 1 368.422 2.282 20 0 FEADMM CCC[C@H]1SCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825261351 608253578 /nfs/dbraw/zinc/25/35/78/608253578.db2.gz XJUAFTCYPHCUMQ-SNVBAGLBSA-N -1 1 366.472 2.004 20 0 FEADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Cc1ccc(Cl)cc1 ZINC000824385051 608261223 /nfs/dbraw/zinc/26/12/23/608261223.db2.gz KMAKJAUCWWTLFG-SNVBAGLBSA-N -1 1 359.821 2.461 20 0 FEADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC000824385051 608261225 /nfs/dbraw/zinc/26/12/25/608261225.db2.gz KMAKJAUCWWTLFG-SNVBAGLBSA-N -1 1 359.821 2.461 20 0 FEADMM CC(C)Cn1ncc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C(C)C ZINC000824284182 608306279 /nfs/dbraw/zinc/30/62/79/608306279.db2.gz CXVVFCZNLHEUMR-UHFFFAOYSA-N -1 1 372.437 2.220 20 0 FEADMM CC(C)Cn1ncc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C(C)C ZINC000824284182 608306280 /nfs/dbraw/zinc/30/62/80/608306280.db2.gz CXVVFCZNLHEUMR-UHFFFAOYSA-N -1 1 372.437 2.220 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3cc(C)ccc32)cc1-c1nn[n-]n1 ZINC000826229503 608360239 /nfs/dbraw/zinc/36/02/39/608360239.db2.gz HEOMFNIRHJSMPC-UHFFFAOYSA-N -1 1 368.422 2.201 20 0 FEADMM CCNc1nc(Sc2ccc(-c3nnn[n-]3)nn2)nc2ccccc21 ZINC000825486418 608394533 /nfs/dbraw/zinc/39/45/33/608394533.db2.gz RHMPOMUHHLXNBD-UHFFFAOYSA-N -1 1 351.399 2.183 20 0 FEADMM CCNc1nc(Sc2ccc(-c3nn[n-]n3)nn2)nc2ccccc21 ZINC000825486418 608394534 /nfs/dbraw/zinc/39/45/34/608394534.db2.gz RHMPOMUHHLXNBD-UHFFFAOYSA-N -1 1 351.399 2.183 20 0 FEADMM C[C@H]1Cc2ccccc2N1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825011983 608399900 /nfs/dbraw/zinc/39/99/00/608399900.db2.gz BNZVTCVBWUDCCW-ZDUSSCGKSA-N -1 1 362.441 2.077 20 0 FEADMM C[C@H]1Cc2ccccc2N1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825011983 608399902 /nfs/dbraw/zinc/39/99/02/608399902.db2.gz BNZVTCVBWUDCCW-ZDUSSCGKSA-N -1 1 362.441 2.077 20 0 FEADMM Fc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1Br ZINC000826372196 608407196 /nfs/dbraw/zinc/40/71/96/608407196.db2.gz MBJWZPJYYFSWHF-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1Br ZINC000826372196 608407198 /nfs/dbraw/zinc/40/71/98/608407198.db2.gz MBJWZPJYYFSWHF-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM c1ccc(CCN(Cc2ccncc2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521281 608435142 /nfs/dbraw/zinc/43/51/42/608435142.db2.gz GXZSZPBFYYWLRU-UHFFFAOYSA-N -1 1 358.409 2.301 20 0 FEADMM c1ccc(CCN(Cc2ccncc2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521281 608435144 /nfs/dbraw/zinc/43/51/44/608435144.db2.gz GXZSZPBFYYWLRU-UHFFFAOYSA-N -1 1 358.409 2.301 20 0 FEADMM C[C@@H](CO)N(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824443028 608491068 /nfs/dbraw/zinc/49/10/68/608491068.db2.gz ZURZGURIMRJGIL-NSHDSACASA-N -1 1 372.454 2.117 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1NCCNC(=O)c1ccccc1Cl ZINC000826280918 608543429 /nfs/dbraw/zinc/54/34/29/608543429.db2.gz WDORGSFCNPMFJI-UHFFFAOYSA-N -1 1 357.805 2.065 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826472532 608824455 /nfs/dbraw/zinc/82/44/55/608824455.db2.gz NOUZTJLBMPUENB-NEPJUHHUSA-N -1 1 359.386 2.015 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826472532 608824458 /nfs/dbraw/zinc/82/44/58/608824458.db2.gz NOUZTJLBMPUENB-NEPJUHHUSA-N -1 1 359.386 2.015 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ncccc1Cl ZINC000826233131 608874349 /nfs/dbraw/zinc/87/43/49/608874349.db2.gz VDLVQHKTCVLKTP-UHFFFAOYSA-N -1 1 373.804 2.204 20 0 FEADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824764861 608891654 /nfs/dbraw/zinc/89/16/54/608891654.db2.gz ZBXDJLKOZARRGC-LLVKDONJSA-N -1 1 351.370 2.029 20 0 FEADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824764861 608891655 /nfs/dbraw/zinc/89/16/55/608891655.db2.gz ZBXDJLKOZARRGC-LLVKDONJSA-N -1 1 351.370 2.029 20 0 FEADMM CC(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(F)c1 ZINC000824020000 609233488 /nfs/dbraw/zinc/23/34/88/609233488.db2.gz YCLLJMRCIWVBLK-UHFFFAOYSA-N -1 1 371.376 2.412 20 0 FEADMM CC(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c(F)c1 ZINC000824020000 609233489 /nfs/dbraw/zinc/23/34/89/609233489.db2.gz YCLLJMRCIWVBLK-UHFFFAOYSA-N -1 1 371.376 2.412 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](F)C2)c(-c2nn[n-]n2)c1C ZINC000826341615 609374472 /nfs/dbraw/zinc/37/44/72/609374472.db2.gz MBFAINOPWLCSBM-UBHAPETDSA-N -1 1 350.398 2.083 20 0 FEADMM C[C@@H]1CC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)C1 ZINC000824916145 609401876 /nfs/dbraw/zinc/40/18/76/609401876.db2.gz JMHSPRUJATXVIG-BZNIZROVSA-N -1 1 365.434 2.207 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824506713 609432162 /nfs/dbraw/zinc/43/21/62/609432162.db2.gz PWWKJAREEJXQED-VXGBXAGGSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824506713 609432164 /nfs/dbraw/zinc/43/21/64/609432164.db2.gz PWWKJAREEJXQED-VXGBXAGGSA-N -1 1 359.434 2.001 20 0 FEADMM Cc1cc(Nc2nccnc2-c2nnn[n-]2)cnc1N1CCCC[C@H]1C ZINC000826271425 609563484 /nfs/dbraw/zinc/56/34/84/609563484.db2.gz QRPDZDPNNXUTPS-GFCCVEGCSA-N -1 1 351.418 2.483 20 0 FEADMM Cc1cc(Nc2nccnc2-c2nn[n-]n2)cnc1N1CCCC[C@H]1C ZINC000826271425 609563487 /nfs/dbraw/zinc/56/34/87/609563487.db2.gz QRPDZDPNNXUTPS-GFCCVEGCSA-N -1 1 351.418 2.483 20 0 FEADMM CCC[C@H]1C[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825254458 609591326 /nfs/dbraw/zinc/59/13/26/609591326.db2.gz RTJDOEKDBUBSDB-NEPJUHHUSA-N -1 1 361.450 2.352 20 0 FEADMM CCC[C@H]1C[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825254458 609591329 /nfs/dbraw/zinc/59/13/29/609591329.db2.gz RTJDOEKDBUBSDB-NEPJUHHUSA-N -1 1 361.450 2.352 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000810864977 674565454 /nfs/dbraw/zinc/56/54/54/674565454.db2.gz LKNDUEMZQKNBJL-QGZVFWFLSA-N -1 1 372.462 2.021 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)c1 ZINC000560075408 674566709 /nfs/dbraw/zinc/56/67/09/674566709.db2.gz ADZYPGOIFFIQNH-UHFFFAOYSA-N -1 1 358.423 2.081 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)c1 ZINC000560075408 674566711 /nfs/dbraw/zinc/56/67/11/674566711.db2.gz ADZYPGOIFFIQNH-UHFFFAOYSA-N -1 1 358.423 2.081 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)c1 ZINC000560075408 674566714 /nfs/dbraw/zinc/56/67/14/674566714.db2.gz ADZYPGOIFFIQNH-UHFFFAOYSA-N -1 1 358.423 2.081 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(OC)cc1 ZINC000560686022 674609536 /nfs/dbraw/zinc/60/95/36/674609536.db2.gz UMZLWZLKNOAQEM-OAHLLOKOSA-N -1 1 371.361 2.166 20 0 FEADMM O=C([N-]OC1CCC1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000812796382 674698846 /nfs/dbraw/zinc/69/88/46/674698846.db2.gz MZDHWTPTVXEYKU-GFCCVEGCSA-N -1 1 352.818 2.168 20 0 FEADMM O=C(NCc1ncccn1)c1c([O-])cnc2c(Br)cccc21 ZINC000813489664 674751589 /nfs/dbraw/zinc/75/15/89/674751589.db2.gz FSZPRLOXPHTDAC-UHFFFAOYSA-N -1 1 359.183 2.423 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cccnc1F ZINC000813519969 674755316 /nfs/dbraw/zinc/75/53/16/674755316.db2.gz IGHFLGPVFSVADL-LLVKDONJSA-N -1 1 350.716 2.046 20 0 FEADMM Cc1cc(=O)[nH]cc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000813636283 674763443 /nfs/dbraw/zinc/76/34/43/674763443.db2.gz SPZPQXNSBSRGPB-FWDPORAESA-N -1 1 359.348 2.013 20 0 FEADMM CCC(Nc1cc(C)cc(C)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814345820 674832604 /nfs/dbraw/zinc/83/26/04/674832604.db2.gz UGCIOBSVQQNSMM-CCEZHUSRSA-N -1 1 361.467 2.269 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NC[C@@H]1Cc2ccccc2O1 ZINC000563572328 674909911 /nfs/dbraw/zinc/90/99/11/674909911.db2.gz KFNZKPPNGZCECG-JTQLQIEISA-N -1 1 367.377 2.332 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC000815200533 674930026 /nfs/dbraw/zinc/93/00/26/674930026.db2.gz JOOXQDIEMMQQFB-STQMWFEESA-N -1 1 351.451 2.122 20 0 FEADMM COC(=O)c1ccc(C(=O)OCCNC(=O)c2ccc(Cl)cc2)[n-]1 ZINC000816267114 675041171 /nfs/dbraw/zinc/04/11/71/675041171.db2.gz YZPMHBMNTUABEG-UHFFFAOYSA-N -1 1 350.758 2.042 20 0 FEADMM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1nccn1C ZINC000816346244 675049090 /nfs/dbraw/zinc/04/90/90/675049090.db2.gz NRTOIPVWXAEACJ-UHFFFAOYSA-N -1 1 361.199 2.301 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1F)Nc1ccc(F)c(F)c1 ZINC000008500072 669981696 /nfs/dbraw/zinc/98/16/96/669981696.db2.gz RUSXHDOBGAVGTK-UHFFFAOYSA-N -1 1 362.304 2.160 20 0 FEADMM CCC(Nc1cccc(C)c1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009770426 669984506 /nfs/dbraw/zinc/98/45/06/669984506.db2.gz JJKIRPOGUBYLER-SQFISAMPSA-N -1 1 361.467 2.269 20 0 FEADMM CC(Nc1ccccc1Cc1ccccc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009953818 669985532 /nfs/dbraw/zinc/98/55/32/669985532.db2.gz QEWFZTDNSWRVQD-UHFFFAOYSA-N -1 1 351.431 2.494 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000028239936 670088739 /nfs/dbraw/zinc/08/87/39/670088739.db2.gz PVRGBJNTKCNSMZ-UHFFFAOYSA-N -1 1 365.367 2.073 20 0 FEADMM COc1ccc(NC(=O)COc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000029817481 670103687 /nfs/dbraw/zinc/10/36/87/670103687.db2.gz KLXSTRDVBSTRCW-UHFFFAOYSA-N -1 1 350.396 2.084 20 0 FEADMM COc1ccc(NC(=O)c2ccnc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000029818036 670104200 /nfs/dbraw/zinc/10/42/00/670104200.db2.gz ZOFGFOKSCWVZSV-UHFFFAOYSA-N -1 1 355.803 2.367 20 0 FEADMM O=C(COC(=O)c1cnc(Cl)c(Cl)c1)N[N-]C(=O)c1cccs1 ZINC000039587298 670141677 /nfs/dbraw/zinc/14/16/77/670141677.db2.gz BXZGEVWWJSGARO-UHFFFAOYSA-N -1 1 374.205 2.068 20 0 FEADMM COC(=O)c1ccc(COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC000042776605 670168441 /nfs/dbraw/zinc/16/84/41/670168441.db2.gz LHHKYHLEZXRYGC-UHFFFAOYSA-N -1 1 369.420 2.263 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)Nc1cccc(F)c1 ZINC000042776508 670168769 /nfs/dbraw/zinc/16/87/69/670168769.db2.gz QOITYFBQSDFQFV-UHFFFAOYSA-N -1 1 372.399 2.054 20 0 FEADMM O=S(=O)([N-]Cc1cscn1)c1cc(Br)cnc1Cl ZINC000051159613 670292739 /nfs/dbraw/zinc/29/27/39/670292739.db2.gz KRGKTLIZOGHOJN-UHFFFAOYSA-N -1 1 368.665 2.433 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cnn(C)c2Cl)no1 ZINC000817093342 675097382 /nfs/dbraw/zinc/09/73/82/675097382.db2.gz XDXVOKKXCQUOQW-SSDOTTSWSA-N -1 1 373.847 2.225 20 0 FEADMM CO[C@@H](C)C(=O)N[N-]C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000054869320 670342348 /nfs/dbraw/zinc/34/23/48/670342348.db2.gz PWNZRJRWEYUFME-NSHDSACASA-N -1 1 358.423 2.191 20 0 FEADMM CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000057733280 670371082 /nfs/dbraw/zinc/37/10/82/670371082.db2.gz BGACCUVHTXBVJV-UHFFFAOYSA-N -1 1 368.798 2.199 20 0 FEADMM Cc1ccc(C(=O)NCC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1C ZINC000066639185 670445844 /nfs/dbraw/zinc/44/58/44/670445844.db2.gz HICFADPAXOGUKH-UHFFFAOYSA-N -1 1 361.471 2.185 20 0 FEADMM C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638434 670445920 /nfs/dbraw/zinc/44/59/20/670445920.db2.gz SSMSDWXXDQFOJU-LLVKDONJSA-N -1 1 365.503 2.367 20 0 FEADMM CC(C)n1c(CCNC(=O)c2ccc(Cn3cccn3)o2)n[n-]c1=S ZINC000067073072 670452399 /nfs/dbraw/zinc/45/23/99/670452399.db2.gz HAORCBNJPCCEBV-UHFFFAOYSA-N -1 1 360.443 2.332 20 0 FEADMM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074933 670452836 /nfs/dbraw/zinc/45/28/36/670452836.db2.gz BDSYLVBZVBJILV-LLVKDONJSA-N -1 1 371.507 2.484 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc(=O)c2ccccc2o1 ZINC000067079646 670453331 /nfs/dbraw/zinc/45/33/31/670453331.db2.gz LKDTZRDRZGEWNW-UHFFFAOYSA-N -1 1 356.407 2.354 20 0 FEADMM CCn1c(CCNC(=O)CCc2ccc(C(=O)OC)cc2)n[n-]c1=S ZINC000068449034 670471178 /nfs/dbraw/zinc/47/11/78/670471178.db2.gz XHFFCRBSEMUESN-UHFFFAOYSA-N -1 1 362.455 2.039 20 0 FEADMM C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000074294827 670517675 /nfs/dbraw/zinc/51/76/75/670517675.db2.gz QJCDARNVHHYVFC-NHYWBVRUSA-N -1 1 354.435 2.273 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccccc2-n2ccnn2)no1 ZINC000569218447 670527315 /nfs/dbraw/zinc/52/73/15/670527315.db2.gz DFQWVVJOIPSWNZ-UHFFFAOYSA-N -1 1 361.427 2.495 20 0 FEADMM Cc1c(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cnn1C ZINC000817293449 675118643 /nfs/dbraw/zinc/11/86/43/675118643.db2.gz LWRMGUGCLLDEIE-CQSZACIVSA-N -1 1 352.360 2.338 20 0 FEADMM CC(C)n1c(CCNC(=O)CNC(=O)CC2CCCCC2)n[n-]c1=S ZINC000078542867 670588520 /nfs/dbraw/zinc/58/85/20/670588520.db2.gz FDCHSGIRIYXQQQ-UHFFFAOYSA-N -1 1 367.519 2.267 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(C)c1)c1ccccc1 ZINC000078771314 670593913 /nfs/dbraw/zinc/59/39/13/670593913.db2.gz INNUVAJTUJBZML-CYBMUJFWSA-N -1 1 354.815 2.236 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000080644124 670627470 /nfs/dbraw/zinc/62/74/70/670627470.db2.gz USYPMIMRGXJWMV-UHFFFAOYSA-N -1 1 351.353 2.289 20 0 FEADMM CCn1nc(C)c(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1C ZINC000083215788 670656666 /nfs/dbraw/zinc/65/66/66/670656666.db2.gz AXNFNSIJDSDAPF-UHFFFAOYSA-N -1 1 367.812 2.457 20 0 FEADMM Cn1c(CNC(=O)Nc2nnc(-c3ccsc3)s2)n[n-]c1=S ZINC000085575465 670681145 /nfs/dbraw/zinc/68/11/45/670681145.db2.gz LOBVKYCBMFTZHJ-UHFFFAOYSA-N -1 1 353.458 2.379 20 0 FEADMM Cn1c(CCNC(=O)c2c[nH]nc2-c2ccccc2Cl)n[n-]c1=S ZINC000087301948 670686841 /nfs/dbraw/zinc/68/68/41/670686841.db2.gz HQTSULVFDSUQPU-UHFFFAOYSA-N -1 1 362.846 2.494 20 0 FEADMM Cc1ccc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)nn1 ZINC000817417848 675131215 /nfs/dbraw/zinc/13/12/15/675131215.db2.gz UQCLGWZCMODNAS-AWEZNQCLSA-N -1 1 350.344 2.395 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccnc(Cl)c1 ZINC000090623095 670713846 /nfs/dbraw/zinc/71/38/46/670713846.db2.gz AYWPVQWAWUYEEO-ONEGZZNKSA-N -1 1 357.801 2.017 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@H]1OC ZINC000570465809 670718115 /nfs/dbraw/zinc/71/81/15/670718115.db2.gz QXTPTVBEEHGNLK-GHMZBOCLSA-N -1 1 369.409 2.311 20 0 FEADMM Cc1nnc2ccc(N3CCN(Cc4ccc([O-])c(Cl)c4)CC3)nn12 ZINC000093272893 670751463 /nfs/dbraw/zinc/75/14/63/670751463.db2.gz YFNCOWPBYDCJCF-UHFFFAOYSA-N -1 1 358.833 2.114 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000570790634 670769710 /nfs/dbraw/zinc/76/97/10/670769710.db2.gz KLVBXLHRYCFBGE-QWHCGFSZSA-N -1 1 353.431 2.463 20 0 FEADMM COC[C@@H](C)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489520 675137839 /nfs/dbraw/zinc/13/78/39/675137839.db2.gz CFJIQPUZIGDSTN-WCQYABFASA-N -1 1 358.360 2.295 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000571172050 670828786 /nfs/dbraw/zinc/82/87/86/670828786.db2.gz JWDIMJVUZKDVRJ-KRWDZBQOSA-N -1 1 364.833 2.059 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000571299062 670852103 /nfs/dbraw/zinc/85/21/03/670852103.db2.gz VTRJSMAWKKCJJI-GFCCVEGCSA-N -1 1 361.471 2.212 20 0 FEADMM CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000572452916 671003229 /nfs/dbraw/zinc/00/32/29/671003229.db2.gz HTIOAOMVFMAJIT-SNVBAGLBSA-N -1 1 359.821 2.083 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000572527161 671013406 /nfs/dbraw/zinc/01/34/06/671013406.db2.gz VJEXKTRFSCQKOS-UHFFFAOYSA-N -1 1 356.266 2.329 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000572926631 671060455 /nfs/dbraw/zinc/06/04/55/671060455.db2.gz FCAUHGUYOKNKOS-WOFXILAISA-N -1 1 363.266 2.186 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1C ZINC000575926005 671331334 /nfs/dbraw/zinc/33/13/34/671331334.db2.gz HWWPQYGRANYGPP-TVYUQYBPSA-N -1 1 350.415 2.032 20 0 FEADMM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1ccc(Br)o1 ZINC000576616417 671382115 /nfs/dbraw/zinc/38/21/15/671382115.db2.gz DLMXJLZQWIFUJA-VIFPVBQESA-N -1 1 358.213 2.497 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000577247299 671426522 /nfs/dbraw/zinc/42/65/22/671426522.db2.gz FOPSWARQATXSNU-NSHDSACASA-N -1 1 357.819 2.411 20 0 FEADMM O=C(NC[C@H](CO)c1cccnc1)c1ccc(Br)c([O-])c1 ZINC000577911267 671628018 /nfs/dbraw/zinc/62/80/18/671628018.db2.gz HAUPBIWVYNAWKU-GFCCVEGCSA-N -1 1 351.200 2.056 20 0 FEADMM O=C(c1csc([C@@H]2CCCO2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000579028782 671707375 /nfs/dbraw/zinc/70/73/75/671707375.db2.gz PPAZPKWTFUBDDJ-NSHDSACASA-N -1 1 350.400 2.103 20 0 FEADMM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000579856909 671766306 /nfs/dbraw/zinc/76/63/06/671766306.db2.gz ANXDQTAJLSIGEN-SECBINFHSA-N -1 1 363.361 2.054 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCSC2)n[n-]1 ZINC000580209116 671790610 /nfs/dbraw/zinc/79/06/10/671790610.db2.gz GAVJVOXKXGULIN-VXGBXAGGSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCSC2)[n-]1 ZINC000580209116 671790612 /nfs/dbraw/zinc/79/06/12/671790612.db2.gz GAVJVOXKXGULIN-VXGBXAGGSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2CCCSC2)n1 ZINC000580209116 671790613 /nfs/dbraw/zinc/79/06/13/671790613.db2.gz GAVJVOXKXGULIN-VXGBXAGGSA-N -1 1 354.476 2.328 20 0 FEADMM CCO[C@H]1C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000580693702 671825286 /nfs/dbraw/zinc/82/52/86/671825286.db2.gz DXRDEJPWQRBTCG-IRXDYDNUSA-N -1 1 360.435 2.395 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2)ccc1OC ZINC000610056501 675948812 /nfs/dbraw/zinc/94/88/12/675948812.db2.gz VOBYBGMYRTVRDV-UHFFFAOYSA-N -1 1 351.380 2.291 20 0 FEADMM CC(=O)c1cc(Br)c(F)cc1OS(=O)(=O)c1c[n-]cn1 ZINC000119526977 671902144 /nfs/dbraw/zinc/90/21/44/671902144.db2.gz ORQNZVLBYBGYOQ-UHFFFAOYSA-N -1 1 363.164 2.282 20 0 FEADMM CN(C[C@@H]1CCS(=O)(=O)C1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000581494442 671903690 /nfs/dbraw/zinc/90/36/90/671903690.db2.gz NEWWPKUNDDTNKR-ZANVPECISA-N -1 1 366.266 2.486 20 0 FEADMM CN(CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)CC(F)(F)F ZINC000119959471 671913601 /nfs/dbraw/zinc/91/36/01/671913601.db2.gz XGOACAZSRDWHCE-UHFFFAOYSA-N -1 1 364.311 2.266 20 0 FEADMM O=C(/C=C/c1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000121164124 671943680 /nfs/dbraw/zinc/94/36/80/671943680.db2.gz OZNSXMZYKKISHE-VMPITWQZSA-N -1 1 362.407 2.422 20 0 FEADMM Cn1cc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)nc1Cl ZINC000124122784 671991363 /nfs/dbraw/zinc/99/13/63/671991363.db2.gz NMOHKZSZJSNWLY-AWEZNQCLSA-N -1 1 368.890 2.016 20 0 FEADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ncccc1N1CCOCC1 ZINC000582546308 672011927 /nfs/dbraw/zinc/01/19/27/672011927.db2.gz MCGGOURGOMJKMF-UHFFFAOYSA-N -1 1 369.393 2.138 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC(C)(C)C)cc1)C1CC1 ZINC000582904271 672045236 /nfs/dbraw/zinc/04/52/36/672045236.db2.gz JMVIPPXKUZOMOM-HNNXBMFYSA-N -1 1 354.472 2.382 20 0 FEADMM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000129230258 672059005 /nfs/dbraw/zinc/05/90/05/672059005.db2.gz RSRUQIODZSVSSD-UHFFFAOYSA-N -1 1 363.487 2.017 20 0 FEADMM O=C(COc1ccc(F)cc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000583072849 672060917 /nfs/dbraw/zinc/06/09/17/672060917.db2.gz TVYISYROMDPWCM-UHFFFAOYSA-N -1 1 355.753 2.353 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c(F)c1 ZINC000610409516 675970052 /nfs/dbraw/zinc/97/00/52/675970052.db2.gz CDYVTEYJHUKVSE-UHFFFAOYSA-N -1 1 365.398 2.374 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cc21 ZINC000583525596 672103510 /nfs/dbraw/zinc/10/35/10/672103510.db2.gz UPXRDCWIECOGJM-UHFFFAOYSA-N -1 1 357.391 2.310 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1cccnc1 ZINC000583544192 672105008 /nfs/dbraw/zinc/10/50/08/672105008.db2.gz SNJIVWUJWRLZAT-ZDUSSCGKSA-N -1 1 350.758 2.093 20 0 FEADMM C[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)[C@H]1OCCc2sccc21 ZINC000584049383 672150821 /nfs/dbraw/zinc/15/08/21/672150821.db2.gz YFQBACDADBFYHH-MISXGVKJSA-N -1 1 363.439 2.493 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc(Cl)c1[O-] ZINC000153805194 672204944 /nfs/dbraw/zinc/20/49/44/672204944.db2.gz XSMDXHOGTPOMDJ-AWEZNQCLSA-N -1 1 368.861 2.381 20 0 FEADMM Cc1ccccc1CC(=O)NNC(=O)c1ccc(Br)c([O-])c1 ZINC000155930896 672240284 /nfs/dbraw/zinc/24/02/84/672240284.db2.gz VXXOVCVAMCAUEE-UHFFFAOYSA-N -1 1 363.211 2.467 20 0 FEADMM Cn1c(CNC(=O)c2ccc(Br)cc2[O-])nnc1C1CCC1 ZINC000159025423 672276104 /nfs/dbraw/zinc/27/61/04/672276104.db2.gz VFSFMNDAEWVWPQ-UHFFFAOYSA-N -1 1 365.231 2.481 20 0 FEADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000172522658 672342397 /nfs/dbraw/zinc/34/23/97/672342397.db2.gz NVLMRYTUJVQMQS-UHFFFAOYSA-N -1 1 351.329 2.455 20 0 FEADMM COC(=O)C[C@@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)CCO1 ZINC000176136799 672373538 /nfs/dbraw/zinc/37/35/38/672373538.db2.gz CXEWQWVOXZFEBB-CQSZACIVSA-N -1 1 368.503 2.285 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(F)cc1 ZINC000611106583 676017952 /nfs/dbraw/zinc/01/79/52/676017952.db2.gz JJAZVTFYYDKGMJ-CYBMUJFWSA-N -1 1 371.386 2.180 20 0 FEADMM CCN(CC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000180249071 672411806 /nfs/dbraw/zinc/41/18/06/672411806.db2.gz ALMFVPOVYYQZHM-UHFFFAOYSA-N -1 1 358.332 2.145 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000181093820 672421933 /nfs/dbraw/zinc/42/19/33/672421933.db2.gz RAKHQDQLBXBDNQ-OAHLLOKOSA-N -1 1 370.377 2.399 20 0 FEADMM O=C([N-]NC(=O)c1ccccc1-n1ccnn1)c1ccc(Cl)cc1F ZINC000182989649 672457940 /nfs/dbraw/zinc/45/79/40/672457940.db2.gz ASPNOUITSGXWRE-UHFFFAOYSA-N -1 1 359.748 2.135 20 0 FEADMM CCCn1cc(C(=O)N[N-]C(=O)c2cc(F)ccc2Br)cn1 ZINC000183020936 672458906 /nfs/dbraw/zinc/45/89/06/672458906.db2.gz SAJQPRGQEYQEIP-UHFFFAOYSA-N -1 1 369.194 2.270 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(C[C@H]2CCCO2)CC1 ZINC000678995647 672459196 /nfs/dbraw/zinc/45/91/96/672459196.db2.gz QZCDHUAIYZAJBR-CYBMUJFWSA-N -1 1 358.360 2.348 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000611150135 676021140 /nfs/dbraw/zinc/02/11/40/676021140.db2.gz SDNSWHHQDAYHOE-UHFFFAOYSA-N -1 1 355.391 2.434 20 0 FEADMM Cc1nc([C@H]2COCCN2C(=O)c2ccc(Br)c([O-])c2)no1 ZINC000679453590 672497309 /nfs/dbraw/zinc/49/73/09/672497309.db2.gz JGVSGBQLEHRFIP-LLVKDONJSA-N -1 1 368.187 2.060 20 0 FEADMM CCc1ccc(CCOC(=O)CCc2c(C)nc(SC)[n-]c2=O)nc1 ZINC000184745842 672506186 /nfs/dbraw/zinc/50/61/86/672506186.db2.gz OWDBTPAGVXMDPN-UHFFFAOYSA-N -1 1 361.467 2.476 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)c1 ZINC000589434004 672525389 /nfs/dbraw/zinc/52/53/89/672525389.db2.gz WRXMSCBKHZOZBO-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc(Cl)ccc1[O-] ZINC000188348154 672589215 /nfs/dbraw/zinc/58/92/15/672589215.db2.gz UDSCSSMEVYMPTI-UHFFFAOYSA-N -1 1 352.803 2.205 20 0 FEADMM CCN1C[C@@H](C(=O)[N-]OCc2ccc(F)cc2Br)CC1=O ZINC000188909431 672602091 /nfs/dbraw/zinc/60/20/91/672602091.db2.gz HFCPHLFSRKNXPR-JTQLQIEISA-N -1 1 359.195 2.004 20 0 FEADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc([O-])c(F)c1 ZINC000681016127 672621527 /nfs/dbraw/zinc/62/15/27/672621527.db2.gz OXWLZTFVBSGDFX-CQSZACIVSA-N -1 1 350.415 2.396 20 0 FEADMM Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ccc([O-])c(F)c2)s1 ZINC000681039796 672624117 /nfs/dbraw/zinc/62/41/17/672624117.db2.gz WWELQEHIQHJYDI-LLVKDONJSA-N -1 1 367.427 2.450 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000190370106 672638212 /nfs/dbraw/zinc/63/82/12/672638212.db2.gz REAKTYGMSHRKGE-HNNXBMFYSA-N -1 1 360.407 2.344 20 0 FEADMM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1[nH]nc2c1CCCCC2 ZINC000190728708 672648168 /nfs/dbraw/zinc/64/81/68/672648168.db2.gz DDELIJLJRSVSSR-UHFFFAOYSA-N -1 1 353.831 2.451 20 0 FEADMM Cc1nc(-c2cccs2)c(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)s1 ZINC000681352851 672652040 /nfs/dbraw/zinc/65/20/40/672652040.db2.gz IJJZAGZHBNPPLI-VIFPVBQESA-N -1 1 362.484 2.498 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)n1 ZINC000191819963 672675465 /nfs/dbraw/zinc/67/54/65/672675465.db2.gz CZUXYJUNTFHMJK-UHFFFAOYSA-N -1 1 352.387 2.187 20 0 FEADMM O=C1OCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191928841 672678201 /nfs/dbraw/zinc/67/82/01/672678201.db2.gz HPPDQPWVDAVPNI-UHFFFAOYSA-N -1 1 371.217 2.253 20 0 FEADMM O=C(NCc1ccco1)N[N-]C(=O)c1cccc(Br)c1F ZINC000192091550 672681658 /nfs/dbraw/zinc/68/16/58/672681658.db2.gz VLVZMYKPWHUJFN-UHFFFAOYSA-N -1 1 356.151 2.325 20 0 FEADMM CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000237115634 672806784 /nfs/dbraw/zinc/80/67/84/672806784.db2.gz HDQMISBNVXWKOO-UHFFFAOYSA-N -1 1 368.499 2.199 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)C1CC1 ZINC000593554308 672941383 /nfs/dbraw/zinc/94/13/83/672941383.db2.gz VTIDSNQEHSBDGX-SECBINFHSA-N -1 1 358.268 2.426 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCO[C@H]1CCCCO1 ZINC000684854507 672971811 /nfs/dbraw/zinc/97/18/11/672971811.db2.gz ULRUBUMBIKXWPS-ZDUSSCGKSA-N -1 1 351.447 2.451 20 0 FEADMM NC(=O)c1cccc(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684872475 672973099 /nfs/dbraw/zinc/97/30/99/672973099.db2.gz LGAFXGZRIVHFNT-UHFFFAOYSA-N -1 1 352.312 2.482 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c(F)c1 ZINC000684924165 672978407 /nfs/dbraw/zinc/97/84/07/672978407.db2.gz LYYHBVZRUANUPX-GFCCVEGCSA-N -1 1 363.426 2.441 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000685512025 673017986 /nfs/dbraw/zinc/01/79/86/673017986.db2.gz ZRDUTASKUIHCAM-QWHCGFSZSA-N -1 1 373.381 2.122 20 0 FEADMM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000311580309 673027492 /nfs/dbraw/zinc/02/74/92/673027492.db2.gz CPEVOIJGKLCUMY-RKDXNWHRSA-N -1 1 368.322 2.053 20 0 FEADMM O=S(=O)([N-]Cc1cocn1)c1cc(Br)c(F)cc1F ZINC000594041977 673024736 /nfs/dbraw/zinc/02/47/36/673024736.db2.gz LXBFDEFKSVANSE-UHFFFAOYSA-N -1 1 353.144 2.194 20 0 FEADMM C[C@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@H]1O ZINC000685810132 673045889 /nfs/dbraw/zinc/04/58/89/673045889.db2.gz CHPLVPTWUCVSME-QPUJVOFHSA-N -1 1 351.200 2.156 20 0 FEADMM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000685840027 673048114 /nfs/dbraw/zinc/04/81/14/673048114.db2.gz ZNAUBLVQCHAYSE-UHFFFAOYSA-N -1 1 351.255 2.140 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000326991803 673056744 /nfs/dbraw/zinc/05/67/44/673056744.db2.gz YOAVONFZMWZTTQ-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC12OCCO2)c1sccc1Br ZINC000715981883 673074214 /nfs/dbraw/zinc/07/42/14/673074214.db2.gz ZKLSLBPEDOMSBB-SECBINFHSA-N -1 1 368.274 2.085 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@]2(C)CCCO2)c1F ZINC000594463189 673076629 /nfs/dbraw/zinc/07/66/29/673076629.db2.gz JAMXXCGCMAXZSW-AWEZNQCLSA-N -1 1 365.810 2.113 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)C1CCCCCC1 ZINC000594486118 673089902 /nfs/dbraw/zinc/08/99/02/673089902.db2.gz DGUODAICKFKFDL-OAHLLOKOSA-N -1 1 358.460 2.305 20 0 FEADMM O=C(Cc1nc(-c2ccccc2)cs1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612815719 676099349 /nfs/dbraw/zinc/09/93/49/676099349.db2.gz ATIYXLFTBZNVIH-CYBMUJFWSA-N -1 1 354.439 2.272 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cncc(C(=O)OC(C)(C)C)c1)C(C)C ZINC000594581881 673102728 /nfs/dbraw/zinc/10/27/28/673102728.db2.gz HZGCQQWZDLQRMF-AWEZNQCLSA-N -1 1 358.460 2.450 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c1 ZINC000594700041 673118911 /nfs/dbraw/zinc/11/89/11/673118911.db2.gz GVUZOBVSEWMSIS-UHFFFAOYSA-N -1 1 361.419 2.276 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCCCc2cnn(C)c2)c(=O)[n-]1 ZINC000726859489 673143999 /nfs/dbraw/zinc/14/39/99/673143999.db2.gz DEUMKSYLXIFAQG-UHFFFAOYSA-N -1 1 350.444 2.055 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)c1 ZINC000727359941 673167382 /nfs/dbraw/zinc/16/73/82/673167382.db2.gz VFJBHRQKQRPRDN-UHFFFAOYSA-N -1 1 366.414 2.472 20 0 FEADMM Cc1[nH]ncc1CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000728191198 673196035 /nfs/dbraw/zinc/19/60/35/673196035.db2.gz SOLKFJHVHOTQRU-UHFFFAOYSA-N -1 1 358.423 2.173 20 0 FEADMM O=S(=O)([N-]C1(CCO)CC1)c1c(Cl)cc(F)cc1Br ZINC000431589384 673213774 /nfs/dbraw/zinc/21/37/74/673213774.db2.gz KEMWTEAUFZQPOC-UHFFFAOYSA-N -1 1 372.643 2.435 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)cc1C ZINC000595311416 673221145 /nfs/dbraw/zinc/22/11/45/673221145.db2.gz KFJGUTWBTPSRDE-UHFFFAOYSA-N -1 1 353.371 2.481 20 0 FEADMM CCc1ccc(S(=O)(=O)Nc2ccc(OC)cc2O)cc1C(=O)[O-] ZINC000442842626 673222403 /nfs/dbraw/zinc/22/24/03/673222403.db2.gz QRVQUGAFCZSPJT-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1C ZINC000595322118 673224007 /nfs/dbraw/zinc/22/40/07/673224007.db2.gz LSMBEGPSKYRASB-NUEKZKHPSA-N -1 1 361.419 2.381 20 0 FEADMM CCO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)c1ccccc1 ZINC000595325025 673224816 /nfs/dbraw/zinc/22/48/16/673224816.db2.gz FLJFEUDIPGYRJO-AWEZNQCLSA-N -1 1 367.423 2.431 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)C(=O)OCC ZINC000451394546 673236455 /nfs/dbraw/zinc/23/64/55/673236455.db2.gz SMCANAUSFOHKQT-INCBCAAFSA-N -1 1 355.456 2.191 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000729703971 673244345 /nfs/dbraw/zinc/24/43/45/673244345.db2.gz GTVIUZCIRADDEC-HNNXBMFYSA-N -1 1 370.471 2.108 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000462719121 673278975 /nfs/dbraw/zinc/27/89/75/673278975.db2.gz DOWOCEOZTUNYEA-ZDUSSCGKSA-N -1 1 355.362 2.200 20 0 FEADMM CCN(c1cccc(O)c1)S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000473415508 673313540 /nfs/dbraw/zinc/31/35/40/673313540.db2.gz PMXZEUYCLIBWMF-UHFFFAOYSA-N -1 1 350.396 2.271 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@H](CO)c3ccccc32)c1 ZINC000498322707 673332889 /nfs/dbraw/zinc/33/28/89/673332889.db2.gz KFGOYNPJQDRKJO-CYBMUJFWSA-N -1 1 360.435 2.103 20 0 FEADMM C[C@@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1c(Cl)cccc1Cl ZINC000732091248 673353277 /nfs/dbraw/zinc/35/32/77/673353277.db2.gz WMWDWZWPIFVLPB-LDYMZIIASA-N -1 1 356.213 2.210 20 0 FEADMM COCCS(=O)(=O)CCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000733489969 673421001 /nfs/dbraw/zinc/42/10/01/673421001.db2.gz ARQUAQVVIAVFCR-UHFFFAOYSA-N -1 1 371.238 2.307 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(F)s3)CC2)n1 ZINC000597575433 673488862 /nfs/dbraw/zinc/48/88/62/673488862.db2.gz XNBQYZPSNYETJF-UHFFFAOYSA-N -1 1 352.391 2.202 20 0 FEADMM CCCOc1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000540051602 673521304 /nfs/dbraw/zinc/52/13/04/673521304.db2.gz PNZIJIUUKIGAFX-UHFFFAOYSA-N -1 1 350.396 2.081 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSc1ccncc1 ZINC000540251015 673531312 /nfs/dbraw/zinc/53/13/12/673531312.db2.gz JOSVYWDENVAJKW-UHFFFAOYSA-N -1 1 355.416 2.323 20 0 FEADMM CCSC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000598334478 673560698 /nfs/dbraw/zinc/56/06/98/673560698.db2.gz YACBWKGPINDQCV-UHFFFAOYSA-N -1 1 358.467 2.497 20 0 FEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000598379523 673563899 /nfs/dbraw/zinc/56/38/99/673563899.db2.gz JLLTVUCBVLGWRO-UHFFFAOYSA-N -1 1 359.451 2.446 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC(F)C1 ZINC000542430211 673581474 /nfs/dbraw/zinc/58/14/74/673581474.db2.gz RVQLXCYNPNERIN-UHFFFAOYSA-N -1 1 352.362 2.420 20 0 FEADMM O=C(c1ccc(-c2ccccc2Cl)o1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000738253301 673613273 /nfs/dbraw/zinc/61/32/73/673613273.db2.gz CTWSWUQGTIBHTL-GFCCVEGCSA-N -1 1 359.773 2.327 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)CSCc3ccccc3)nc2n1 ZINC000598837994 673615711 /nfs/dbraw/zinc/61/57/11/673615711.db2.gz IAIPKILPVOUHRH-NSHDSACASA-N -1 1 357.439 2.234 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1 ZINC000739368871 673630756 /nfs/dbraw/zinc/63/07/56/673630756.db2.gz FXNCFUNREYWMRX-DDTOSNHZSA-N -1 1 371.455 2.327 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2cnc(C)cc2C)c1F ZINC000599330813 673660092 /nfs/dbraw/zinc/66/00/92/673660092.db2.gz KYIVRIXKTYMHKR-UHFFFAOYSA-N -1 1 370.377 2.242 20 0 FEADMM O=C(Nc1cc(C(=O)NCc2nn[n-]n2)ccc1Cl)c1cccs1 ZINC000599334552 673660419 /nfs/dbraw/zinc/66/04/19/673660419.db2.gz POQSLFSVRSXMQW-UHFFFAOYSA-N -1 1 362.802 2.097 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)o1 ZINC000599411385 673671686 /nfs/dbraw/zinc/67/16/86/673671686.db2.gz GIYROHZZZKKDOA-HNNXBMFYSA-N -1 1 350.396 2.281 20 0 FEADMM O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000741263992 673678189 /nfs/dbraw/zinc/67/81/89/673678189.db2.gz MQCGIJCQBGSCAO-CYBMUJFWSA-N -1 1 361.760 2.179 20 0 FEADMM CCOCc1ccccc1-c1noc(-c2coc(S(=O)(=O)[N-]C)c2)n1 ZINC000544189863 673697365 /nfs/dbraw/zinc/69/73/65/673697365.db2.gz VAGOFDFKSIWREW-UHFFFAOYSA-N -1 1 363.395 2.441 20 0 FEADMM Cc1ccc([C@@H](C)c2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)cc1 ZINC000544538018 673716746 /nfs/dbraw/zinc/71/67/46/673716746.db2.gz ZLLFEYIUBDQHKF-CQSZACIVSA-N -1 1 367.471 2.374 20 0 FEADMM Cc1nonc1C[N-]S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000742325837 673722426 /nfs/dbraw/zinc/72/24/26/673722426.db2.gz SYPFVVDJJKKLBD-UHFFFAOYSA-N -1 1 367.818 2.004 20 0 FEADMM CC(C)(C)OC(=O)NCc1ccc(C(=O)[N-]c2nn3cnnc3s2)o1 ZINC000743301195 673754949 /nfs/dbraw/zinc/75/49/49/673754949.db2.gz VWDWNPSWCWJGCB-UHFFFAOYSA-N -1 1 364.387 2.056 20 0 FEADMM Cc1cc(-c2csc(NC(=O)c3cc(=O)n4[n-]cnc4n3)n2)c(C)o1 ZINC000545379856 673764353 /nfs/dbraw/zinc/76/43/53/673764353.db2.gz GGHBRSGNPBSVLR-UHFFFAOYSA-N -1 1 356.367 2.003 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(COc3ccc(Cl)cc3)no2)co1 ZINC000545698749 673774425 /nfs/dbraw/zinc/77/44/25/673774425.db2.gz BJVVDFDBNCOZKM-UHFFFAOYSA-N -1 1 369.786 2.470 20 0 FEADMM CCOc1cc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)cc(Cl)c1[O-] ZINC000545853074 673777699 /nfs/dbraw/zinc/77/76/99/673777699.db2.gz AKWAQOMVVISXNV-UHFFFAOYSA-N -1 1 364.833 2.125 20 0 FEADMM NC(=O)[C@H](CNC(=O)c1c([O-])cccc1Cl)Cc1ccc(F)cc1 ZINC000744338617 673793690 /nfs/dbraw/zinc/79/36/90/673793690.db2.gz DHWHLOKKYARKCA-NSHDSACASA-N -1 1 350.777 2.259 20 0 FEADMM CO[C@H]1C[C@@H](CNC(=O)c2cc(I)ccc2[O-])C1 ZINC000600797924 673799475 /nfs/dbraw/zinc/79/94/75/673799475.db2.gz NYMCQHACXRXZMP-WAAGHKOSSA-N -1 1 361.179 2.152 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000546534866 673802150 /nfs/dbraw/zinc/80/21/50/673802150.db2.gz IJYDSVSXTFUINO-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c(C)n1 ZINC000546611656 673806394 /nfs/dbraw/zinc/80/63/94/673806394.db2.gz CCCPZVZPPGHFPS-UHFFFAOYSA-N -1 1 357.435 2.335 20 0 FEADMM COc1ccc(Cl)c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1N ZINC000744909036 673816783 /nfs/dbraw/zinc/81/67/83/673816783.db2.gz FKVNAYUGSQLSFQ-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM Cc1nnc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000546766746 673816979 /nfs/dbraw/zinc/81/69/79/673816979.db2.gz BIJBLHGUROBTRP-MRVPVSSYSA-N -1 1 372.472 2.007 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(CCCc2ccsc2)no1 ZINC000547220243 673836560 /nfs/dbraw/zinc/83/65/60/673836560.db2.gz SBIOESRXKYWIFN-UHFFFAOYSA-N -1 1 373.500 2.151 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000601334994 673844124 /nfs/dbraw/zinc/84/41/24/673844124.db2.gz PXAPMHSOJFFRFS-UHFFFAOYSA-N -1 1 371.455 2.143 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1F ZINC000601368728 673849809 /nfs/dbraw/zinc/84/98/09/673849809.db2.gz BVRLQKIBEPXSLQ-GXFFZTMASA-N -1 1 365.373 2.395 20 0 FEADMM COC(=O)c1ccc(OC)cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000601417649 673859015 /nfs/dbraw/zinc/85/90/15/673859015.db2.gz YXCZOJVXMIVXGU-GFCCVEGCSA-N -1 1 367.345 2.101 20 0 FEADMM Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2ncc(C)cc2[O-])s1 ZINC000547652654 673878505 /nfs/dbraw/zinc/87/85/05/673878505.db2.gz JFKNJQLLEQEIAQ-JTQLQIEISA-N -1 1 364.452 2.014 20 0 FEADMM COc1ccc(SCCCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000547721430 673884139 /nfs/dbraw/zinc/88/41/39/673884139.db2.gz UINCNULFQYIXAA-ZDUSSCGKSA-N -1 1 361.471 2.487 20 0 FEADMM COC(=O)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H](OC)C1 ZINC000601660820 673892001 /nfs/dbraw/zinc/89/20/01/673892001.db2.gz TVALYSNCZISXOZ-IIYDPXPESA-N -1 1 369.845 2.451 20 0 FEADMM CCOC(=O)CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000601676706 673893520 /nfs/dbraw/zinc/89/35/20/673893520.db2.gz WANSTABBCVCQIB-UHFFFAOYSA-N -1 1 355.818 2.207 20 0 FEADMM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2c(C)[n-][nH]c2=O)s1 ZINC000615222575 676207667 /nfs/dbraw/zinc/20/76/67/676207667.db2.gz SSCZSNQRAYWFAQ-LLVKDONJSA-N -1 1 358.427 2.344 20 0 FEADMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(C2OCCO2)s1 ZINC000818962187 675246986 /nfs/dbraw/zinc/24/69/86/675246986.db2.gz LFMNJFFFRYUCLR-UHFFFAOYSA-N -1 1 368.440 2.186 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1Cl ZINC000819160190 675265425 /nfs/dbraw/zinc/26/54/25/675265425.db2.gz WNWSLSLYRUUPMG-WCQYABFASA-N -1 1 372.874 2.061 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)c2ccccc2)c(F)c1 ZINC000819878263 675318280 /nfs/dbraw/zinc/31/82/80/675318280.db2.gz MLSBODJJKAMVMT-CJNGLKHVSA-N -1 1 371.405 2.036 20 0 FEADMM COc1cc(C)c([S@@](C)=O)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000819906166 675322221 /nfs/dbraw/zinc/32/22/21/675322221.db2.gz CZAOWHJCJYYUCL-HSZRJFAPSA-N -1 1 372.468 2.355 20 0 FEADMM COc1cc(C)c([S@@](C)=O)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000819906166 675322223 /nfs/dbraw/zinc/32/22/23/675322223.db2.gz CZAOWHJCJYYUCL-HSZRJFAPSA-N -1 1 372.468 2.355 20 0 FEADMM COc1cnc([N-]S(=O)(=O)c2ccc(OC)nc2)c(Br)c1 ZINC000568035786 675346022 /nfs/dbraw/zinc/34/60/22/675346022.db2.gz KVUKZOSAYYUHFR-UHFFFAOYSA-N -1 1 374.216 2.057 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000568352745 675367519 /nfs/dbraw/zinc/36/75/19/675367519.db2.gz POKYIXYMBSTGJH-LBPRGKRZSA-N -1 1 356.407 2.273 20 0 FEADMM C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000568352745 675367520 /nfs/dbraw/zinc/36/75/20/675367520.db2.gz POKYIXYMBSTGJH-LBPRGKRZSA-N -1 1 356.407 2.273 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)n[n-]1 ZINC000568456725 675375071 /nfs/dbraw/zinc/37/50/71/675375071.db2.gz KEUKOCJVMOLSTD-VIFPVBQESA-N -1 1 356.835 2.130 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2nc(C(C)(C)C)no2)c1 ZINC000820871885 675395889 /nfs/dbraw/zinc/39/58/89/675395889.db2.gz KJKJXIOPPDKZOK-XMMPIXPASA-N -1 1 352.412 2.227 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2CCc3cccnc32)C1)C(F)(F)F ZINC000820889930 675397284 /nfs/dbraw/zinc/39/72/84/675397284.db2.gz OWUFHKOJNRLVRK-DGCLKSJQSA-N -1 1 355.360 2.029 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)CCC2CCC2)Cc2ccccc2C1 ZINC000568799882 675401219 /nfs/dbraw/zinc/40/12/19/675401219.db2.gz GGBAMLBMGWAWAD-UHFFFAOYSA-N -1 1 351.468 2.197 20 0 FEADMM CCCCc1nnc([N-]C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)s1 ZINC000821083463 675412042 /nfs/dbraw/zinc/41/20/42/675412042.db2.gz ZMITZQGMPNBRLS-UHFFFAOYSA-N -1 1 364.822 2.362 20 0 FEADMM CS(C)(=O)=NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000821101307 675413744 /nfs/dbraw/zinc/41/37/44/675413744.db2.gz AANCPRNLXUTRDQ-UHFFFAOYSA-N -1 1 370.427 2.494 20 0 FEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC)c(NC(C)=O)c1 ZINC000821139899 675418120 /nfs/dbraw/zinc/41/81/20/675418120.db2.gz IGAUUIVXLVRDPB-OAHLLOKOSA-N -1 1 372.443 2.127 20 0 FEADMM CCN(Cc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821220596 675421760 /nfs/dbraw/zinc/42/17/60/675421760.db2.gz CJCKHEYMKVHVFN-UHFFFAOYSA-N -1 1 360.809 2.308 20 0 FEADMM CCN(Cc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821220596 675421762 /nfs/dbraw/zinc/42/17/62/675421762.db2.gz CJCKHEYMKVHVFN-UHFFFAOYSA-N -1 1 360.809 2.308 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCCN(C2CC2)C1=O ZINC000821374088 675430932 /nfs/dbraw/zinc/43/09/32/675430932.db2.gz BGPPUKPHVWOLTK-SNVBAGLBSA-N -1 1 353.216 2.494 20 0 FEADMM C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OC1CCOCC1 ZINC000822054570 675467623 /nfs/dbraw/zinc/46/76/23/675467623.db2.gz BINNQBBOLZFMNW-FHTYSXSTSA-N -1 1 354.447 2.272 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Br)s1 ZINC000823379861 675548869 /nfs/dbraw/zinc/54/88/69/675548869.db2.gz MBGCTSNGPAZAFM-UHFFFAOYSA-N -1 1 357.218 2.400 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Br)s1 ZINC000823379861 675548873 /nfs/dbraw/zinc/54/88/73/675548873.db2.gz MBGCTSNGPAZAFM-UHFFFAOYSA-N -1 1 357.218 2.400 20 0 FEADMM O=C(OCc1noc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823445152 675553187 /nfs/dbraw/zinc/55/31/87/675553187.db2.gz URLSBYZMTWIEEC-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM O=C(OCc1noc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823445152 675553189 /nfs/dbraw/zinc/55/31/89/675553189.db2.gz URLSBYZMTWIEEC-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[nH]n2)c(C)c1 ZINC000825642880 675662012 /nfs/dbraw/zinc/66/20/12/675662012.db2.gz 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CCOC(=O)CS[C@H](CNC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000828508805 675825395 /nfs/dbraw/zinc/82/53/95/675825395.db2.gz FSJOLYDNCGBCAS-LLVKDONJSA-N -1 1 369.336 2.488 20 0 FEADMM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000829680572 675887210 /nfs/dbraw/zinc/88/72/10/675887210.db2.gz BCPVMNIIKZXQNO-HZMBPMFUSA-N -1 1 374.388 2.231 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000608258176 675887674 /nfs/dbraw/zinc/88/76/74/675887674.db2.gz IZPDGAOHFUZGDE-UHFFFAOYSA-N -1 1 350.444 2.210 20 0 FEADMM COc1cc(NC(=O)NCc2ncc(C)s2)ccc1[N-]S(C)(=O)=O ZINC000608304009 675888402 /nfs/dbraw/zinc/88/84/02/675888402.db2.gz JVJGQKSZDBFDAR-UHFFFAOYSA-N -1 1 370.456 2.153 20 0 FEADMM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC000608366333 675889607 /nfs/dbraw/zinc/88/96/07/675889607.db2.gz RPLGQWQEDRIZJB-UHFFFAOYSA-N -1 1 372.805 2.492 20 0 FEADMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccn1 ZINC000617081096 676269090 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FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CCc2cscn2)n1 ZINC000619566178 676385166 /nfs/dbraw/zinc/38/51/66/676385166.db2.gz VWEBMTKANADBOX-LBPRGKRZSA-N -1 1 365.459 2.274 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1OC ZINC000619620437 676388227 /nfs/dbraw/zinc/38/82/27/676388227.db2.gz GKALMNZFLRXHRU-UHFFFAOYSA-N -1 1 355.343 2.127 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H](CN2CCCC2=O)C1 ZINC000620249902 676411605 /nfs/dbraw/zinc/41/16/05/676411605.db2.gz WNRZSXXYSSFUHU-LLVKDONJSA-N -1 1 367.243 2.239 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000620801348 676430727 /nfs/dbraw/zinc/43/07/27/676430727.db2.gz YIPBSJDUYZFMRI-IONNQARKSA-N -1 1 365.377 2.394 20 0 FEADMM CN(CC1=CCSC1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000620848776 676432614 /nfs/dbraw/zinc/43/26/14/676432614.db2.gz WULCKXLBDLJMBT-UHFFFAOYSA-N -1 1 358.485 2.102 20 0 FEADMM COc1ccc(NC(=O)NCC[C@H]2CC2(F)F)cc1[N-]S(C)(=O)=O ZINC000621433567 676458283 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COc1cc2[n-]cc(C(=O)N[C@@H]3CCCC3(F)F)c(=O)c2c(OC)c1 ZINC000627293317 676749271 /nfs/dbraw/zinc/74/92/71/676749271.db2.gz QDCQBAUOXLXQAW-CYBMUJFWSA-N -1 1 352.337 2.463 20 0 FEADMM Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3ncc(C)c(=O)[n-]3)C2)cc1 ZINC000629179284 676834971 /nfs/dbraw/zinc/83/49/71/676834971.db2.gz AGFGOOVHPNHEKY-ZDUSSCGKSA-N -1 1 365.480 2.354 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(-c2n[nH]c(C)n2)cc1)C1CC1 ZINC000629288514 676840993 /nfs/dbraw/zinc/84/09/93/676840993.db2.gz JAKCXKALCMFVLF-OAHLLOKOSA-N -1 1 350.444 2.337 20 0 FEADMM COc1cc(Br)ccc1[C@@H]1CCCN1C[C@](C)(O)C(=O)[O-] ZINC000629370245 676852258 /nfs/dbraw/zinc/85/22/58/676852258.db2.gz PXAAEIPVELRUTO-WFASDCNBSA-N -1 1 358.232 2.430 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)s1 ZINC000629378021 676852440 /nfs/dbraw/zinc/85/24/40/676852440.db2.gz QSAMIXXCUVSIPL-IHRRRGAJSA-N -1 1 372.512 2.074 20 0 FEADMM COC[C@]1(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCO1 ZINC000629897879 676873757 /nfs/dbraw/zinc/87/37/57/676873757.db2.gz GGXJZYZPOSVFNL-KRWDZBQOSA-N -1 1 350.802 2.471 20 0 FEADMM O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000629923607 676875634 /nfs/dbraw/zinc/87/56/34/676875634.db2.gz AXQMBLWFKVKZHP-GFCCVEGCSA-N -1 1 353.216 2.038 20 0 FEADMM CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1OC ZINC000629938040 676876378 /nfs/dbraw/zinc/87/63/78/676876378.db2.gz ARYACCNWOQJZEK-UHFFFAOYSA-N -1 1 368.411 2.237 20 0 FEADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000629981979 676877930 /nfs/dbraw/zinc/87/79/30/676877930.db2.gz SVZWGBJQIUFOBP-NXEZZACHSA-N -1 1 358.789 2.306 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000630224996 676888332 /nfs/dbraw/zinc/88/83/32/676888332.db2.gz QCAOTKIASHZXBI-ZLDLUXBVSA-N -1 1 352.381 2.076 20 0 FEADMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)c([O-])c1 ZINC000678432269 679729479 /nfs/dbraw/zinc/72/94/79/679729479.db2.gz GJPRPXYPIVZYSY-ABAIWWIYSA-N -1 1 356.216 2.223 20 0 FEADMM CC(C)N(Cc1cccc(Br)c1)C(=O)CCc1nn[n-]n1 ZINC000630822796 676923203 /nfs/dbraw/zinc/92/32/03/676923203.db2.gz PZMWVGFVTALPFP-UHFFFAOYSA-N -1 1 352.236 2.332 20 0 FEADMM Cc1nc(S[C@H](C(=O)N2CCOCC2)C(C)C)[n-]c(=O)c1C1CC1 ZINC000631025483 676929725 /nfs/dbraw/zinc/92/97/25/676929725.db2.gz UVBAXGPWQZWSEC-AWEZNQCLSA-N -1 1 351.472 2.344 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)sn1 ZINC000631738916 676954431 /nfs/dbraw/zinc/95/44/31/676954431.db2.gz XKQUDMNHWCQNHD-UHFFFAOYSA-N -1 1 352.481 2.478 20 0 FEADMM CCOCCOCc1cccc(C[N-]S(=O)(=O)c2conc2C)c1 ZINC000631746891 676955131 /nfs/dbraw/zinc/95/51/31/676955131.db2.gz UZYPYNPEPCTUKK-UHFFFAOYSA-N -1 1 354.428 2.015 20 0 FEADMM C[C@@H]1CN(C(=O)Cc2noc(Cc3ccc([O-])c(Cl)c3)n2)C[C@@H](C)O1 ZINC000632114928 676976594 /nfs/dbraw/zinc/97/65/94/676976594.db2.gz CUEGXQZNPNXINQ-GHMZBOCLSA-N -1 1 365.817 2.198 20 0 FEADMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)s1 ZINC000632208474 676981725 /nfs/dbraw/zinc/98/17/25/676981725.db2.gz 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Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](N3CCOCC3)C2(C)C)c(F)c1 ZINC000632502874 676998045 /nfs/dbraw/zinc/99/80/45/676998045.db2.gz RFTIAJXQFBWIQS-GJZGRUSLSA-N -1 1 374.453 2.051 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2nccn2C)sn1 ZINC000632511245 676998477 /nfs/dbraw/zinc/99/84/77/676998477.db2.gz DAESXIVBGCTQII-AWEZNQCLSA-N -1 1 362.480 2.447 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3cnn(C)c3)C2)c(F)c1 ZINC000632531998 677000201 /nfs/dbraw/zinc/00/02/01/677000201.db2.gz RUABKSARKPUKDO-WFASDCNBSA-N -1 1 371.409 2.205 20 0 FEADMM O=C1Nc2ccccc2CC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632536817 677000617 /nfs/dbraw/zinc/00/06/17/677000617.db2.gz UTSDSZAIQCZAKX-LLVKDONJSA-N -1 1 356.350 2.449 20 0 FEADMM O=C(CCc1nn[n-]n1)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000632934507 677022210 /nfs/dbraw/zinc/02/22/10/677022210.db2.gz SRGMAVIZLIGVDR-UHFFFAOYSA-N -1 1 353.451 2.390 20 0 FEADMM Cn1cc([C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C2(CO)CCC2)cn1 ZINC000633164764 677035047 /nfs/dbraw/zinc/03/50/47/677035047.db2.gz QDYOUCKUDNOCFU-QGZVFWFLSA-N -1 1 363.845 2.342 20 0 FEADMM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1c[nH]nc1Cl ZINC000830410299 677038043 /nfs/dbraw/zinc/03/80/43/677038043.db2.gz YFZIQYCFMKWQDG-UHFFFAOYSA-N -1 1 369.752 2.439 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCC[C@H]1Cc1ccccc1Br ZINC000633457705 677049390 /nfs/dbraw/zinc/04/93/90/677049390.db2.gz VGFWFTMRAGMBLR-LBPRGKRZSA-N -1 1 364.247 2.129 20 0 FEADMM CCCNC(=O)Cc1csc([N-]C(=O)c2ocnc2C(F)(F)F)n1 ZINC000830701305 677056050 /nfs/dbraw/zinc/05/60/50/677056050.db2.gz KAJQJDRHRARWNQ-UHFFFAOYSA-N -1 1 362.333 2.471 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2cccc(F)c2)CC1 ZINC000633894343 677067241 /nfs/dbraw/zinc/06/72/41/677067241.db2.gz YVIRUIPQXNNDPT-UHFFFAOYSA-N -1 1 362.430 2.314 20 0 FEADMM C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)CCc1nn[n-]n1 ZINC000633693289 677060844 /nfs/dbraw/zinc/06/08/44/677060844.db2.gz ZVPMJMILDGEYFM-JQWIXIFHSA-N -1 1 364.247 2.299 20 0 FEADMM CC(C)C[C@H](C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)n1ccnc1 ZINC000830790678 677060836 /nfs/dbraw/zinc/06/08/36/677060836.db2.gz ZPZMDCCHBNVWTP-IUODEOHRSA-N -1 1 360.380 2.140 20 0 FEADMM Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830807301 677061947 /nfs/dbraw/zinc/06/19/47/677061947.db2.gz HGUXJJBKBFSCKM-OAHLLOKOSA-N -1 1 360.380 2.230 20 0 FEADMM Cn1cc(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c(C(C)(C)C)n1 ZINC000830816839 677062768 /nfs/dbraw/zinc/06/27/68/677062768.db2.gz UHBJWQPENJIUOD-HNNXBMFYSA-N -1 1 360.380 2.001 20 0 FEADMM COc1cccc([C@@H](C)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000830826459 677063462 /nfs/dbraw/zinc/06/34/62/677063462.db2.gz CSWPRCZTQSNRHP-BZNIZROVSA-N -1 1 358.360 2.468 20 0 FEADMM CC[C@H](OC1CCCC1)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830824232 677063504 /nfs/dbraw/zinc/06/35/04/677063504.db2.gz YGDMDNBQAKXLPW-SWLSCSKDSA-N -1 1 350.381 2.394 20 0 FEADMM COc1ccc(C)cc1CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830841546 677064420 /nfs/dbraw/zinc/06/44/20/677064420.db2.gz QWULMLCFNVJRDM-INIZCTEOSA-N -1 1 358.360 2.216 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC2CC2)c2cccc(F)c2)o1 ZINC000633756202 677065353 /nfs/dbraw/zinc/06/53/53/677065353.db2.gz UFRCZGPITPEOBY-UHFFFAOYSA-N -1 1 352.387 2.384 20 0 FEADMM Cc1ncc(C(F)(F)F)cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000634533751 677077053 /nfs/dbraw/zinc/07/70/53/677077053.db2.gz OHMDTZFLEZHHOG-JTQLQIEISA-N -1 1 359.348 2.030 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774715 677081713 /nfs/dbraw/zinc/08/17/13/677081713.db2.gz CPEXJOXBWVUKAJ-AOOOYVTPSA-N -1 1 363.211 2.421 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(Cc2cnc3ccc(Br)cn23)C1 ZINC000635318796 677095399 /nfs/dbraw/zinc/09/53/99/677095399.db2.gz YLJDSTMUASMEHM-HNNXBMFYSA-N -1 1 368.231 2.020 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000635454262 677099447 /nfs/dbraw/zinc/09/94/47/677099447.db2.gz UNJQTWPPFVFGFN-ZDUSSCGKSA-N -1 1 351.357 2.318 20 0 FEADMM O=C(CCCc1nn[n-]n1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000635806174 677107081 /nfs/dbraw/zinc/10/70/81/677107081.db2.gz JIIHWGCBWQSEOZ-UHFFFAOYSA-N -1 1 363.219 2.083 20 0 FEADMM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC000641330525 677201377 /nfs/dbraw/zinc/20/13/77/677201377.db2.gz KXXNBPNBDLCAHA-XQQFMLRXSA-N -1 1 369.830 2.129 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)o1 ZINC000642261074 677219154 /nfs/dbraw/zinc/21/91/54/677219154.db2.gz VCHODBDRWBEYDN-VIFPVBQESA-N -1 1 358.366 2.299 20 0 FEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)no1 ZINC000645510883 677262198 /nfs/dbraw/zinc/26/21/98/677262198.db2.gz RJSLLEIGUGQPSH-UHFFFAOYSA-N -1 1 350.322 2.005 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)CCOCC1CCC1)c1nc(C2CC2)no1 ZINC000645516086 677262373 /nfs/dbraw/zinc/26/23/73/677262373.db2.gz OFACNVLDNCFIIY-AWEZNQCLSA-N -1 1 357.476 2.380 20 0 FEADMM O=S(=O)([N-]CC1(O)CCCCCC1)c1ncccc1C(F)(F)F ZINC000645556690 677263594 /nfs/dbraw/zinc/26/35/94/677263594.db2.gz QVRXKPNEOSPQAC-UHFFFAOYSA-N -1 1 352.378 2.464 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccc(C)o1 ZINC000645575193 677264597 /nfs/dbraw/zinc/26/45/97/677264597.db2.gz KSUHFBOIVDMYAF-LBPRGKRZSA-N -1 1 360.819 2.311 20 0 FEADMM O=S(=O)([N-][C@H]([C@@H](CO)C1CC1)C1CC1)c1ncccc1C(F)(F)F ZINC000645745872 677270427 /nfs/dbraw/zinc/27/04/27/677270427.db2.gz TXGVWLWDYAFDCA-AAEUAGOBSA-N -1 1 364.389 2.176 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3coc(C(=O)N(C)C)c3C)cc2[nH]1 ZINC000647270571 677299087 /nfs/dbraw/zinc/29/90/87/677299087.db2.gz AQJSANTYBSYXHV-UHFFFAOYSA-N -1 1 362.411 2.275 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCCO[C@H]2CCCCO2)c(=O)[n-]1 ZINC000647644694 677304067 /nfs/dbraw/zinc/30/40/67/677304067.db2.gz QCGRMVFNWRTWMA-HNNXBMFYSA-N -1 1 369.487 2.195 20 0 FEADMM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1c[nH]nc1C(F)(F)F ZINC000647890652 677307592 /nfs/dbraw/zinc/30/75/92/677307592.db2.gz ZLBGFYKVCDFISM-UHFFFAOYSA-N -1 1 358.345 2.431 20 0 FEADMM COC1(CS(=O)(=O)[N-]C2(c3noc(C)n3)CCCCC2)CCCC1 ZINC000647895227 677307818 /nfs/dbraw/zinc/30/78/18/677307818.db2.gz MJVBYVQHUBICOY-UHFFFAOYSA-N -1 1 357.476 2.416 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(F)c3)CCC2)co1 ZINC000648993982 677323874 /nfs/dbraw/zinc/32/38/74/677323874.db2.gz QPLUCHZGQRDOMH-UHFFFAOYSA-N -1 1 352.387 2.136 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)co1 ZINC000649066627 677325007 /nfs/dbraw/zinc/32/50/07/677325007.db2.gz JZFCRPJLBLHYLY-TZMCWYRMSA-N -1 1 354.472 2.476 20 0 FEADMM CCCn1ncc([N-]S(=O)(=O)CC2(OC)CCOCC2)c1C1CC1 ZINC000650204371 677360072 /nfs/dbraw/zinc/36/00/72/677360072.db2.gz PYOLCMDUZYEVMQ-UHFFFAOYSA-N -1 1 357.476 2.108 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CC[C@](O)(C(F)(F)F)C3)cnc2n1 ZINC000650308565 677365611 /nfs/dbraw/zinc/36/56/11/677365611.db2.gz LYYQVIWPQLCUFM-BJOHPYRUSA-N -1 1 355.316 2.220 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N[C@H]3CC[C@](O)(C(F)(F)F)C3)c[n-]c2n1 ZINC000650308565 677365612 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CCCOc1cccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843019500 680983230 /nfs/dbraw/zinc/98/32/30/680983230.db2.gz RREGFXPPZDNTHT-UHFFFAOYSA-N -1 1 354.472 2.019 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)c(=O)[nH]c1=O ZINC000769620017 680989194 /nfs/dbraw/zinc/98/91/94/680989194.db2.gz JEDGMIOIWGBIQZ-ZIAGYGMSSA-N -1 1 371.503 2.386 20 0 FEADMM CC[C@@H]1CCCC[C@@H]1OCCOC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000770951803 681034245 /nfs/dbraw/zinc/03/42/45/681034245.db2.gz UTCDZZLJCFCKJL-OLZOCXBDSA-N -1 1 359.444 2.330 20 0 FEADMM Cc1nc(NC2CC2)sc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000771006362 681036476 /nfs/dbraw/zinc/03/64/76/681036476.db2.gz URPAJQRFAIPCAW-GFCCVEGCSA-N -1 1 355.427 2.058 20 0 FEADMM COc1cc(-c2noc(C[C@H]3COC(=O)C3)n2)cc(Br)c1[O-] ZINC000771228551 681048026 /nfs/dbraw/zinc/04/80/26/681048026.db2.gz JXQVEZKYXHEPDY-SSDOTTSWSA-N -1 1 369.171 2.319 20 0 FEADMM CN(CC(=O)Nc1nc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000771575261 681060490 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O=C(COc1ccc2ccccc2c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773159829 681128270 /nfs/dbraw/zinc/12/82/70/681128270.db2.gz MWADWIHZIQPRLA-HNNXBMFYSA-N -1 1 355.423 2.048 20 0 FEADMM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773163158 681128658 /nfs/dbraw/zinc/12/86/58/681128658.db2.gz TVQDFPNJFOZJEP-GWCFXTLKSA-N -1 1 351.863 2.348 20 0 FEADMM O=C(c1csc(-c2ccccn2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773315348 681135968 /nfs/dbraw/zinc/13/59/68/681135968.db2.gz RFUSLWKFHNUZRC-JTQLQIEISA-N -1 1 357.395 2.314 20 0 FEADMM COCCN(C(C)=O)c1nc(COC(=O)c2ccc([O-])cc2F)cs1 ZINC000773578411 681149188 /nfs/dbraw/zinc/14/91/88/681149188.db2.gz GVWYZDPZEIHRRC-UHFFFAOYSA-N -1 1 368.386 2.344 20 0 FEADMM CCCCCCNC(=O)CS(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000774003923 681164067 /nfs/dbraw/zinc/16/40/67/681164067.db2.gz FAMJZIZZFBQYPI-UHFFFAOYSA-N -1 1 364.471 2.250 20 0 FEADMM CCCCCCNC(=O)CS(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000774003923 681164068 /nfs/dbraw/zinc/16/40/68/681164068.db2.gz 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356.300 2.392 20 0 FEADMM CC(C)(C)c1ccccc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000776626436 681419470 /nfs/dbraw/zinc/41/94/70/681419470.db2.gz CZWYDDIWKHIKEJ-OAHLLOKOSA-N -1 1 368.499 2.202 20 0 FEADMM CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000776626435 681419667 /nfs/dbraw/zinc/41/96/67/681419667.db2.gz CZWYDDIWKHIKEJ-HNNXBMFYSA-N -1 1 368.499 2.202 20 0 FEADMM C[C@@H](C(=O)[N-]N1C(=O)c2ccc(Br)cc2C1=O)C(C)(F)F ZINC000848270656 681506077 /nfs/dbraw/zinc/50/60/77/681506077.db2.gz LURJEKJCLHSNIS-LURJTMIESA-N -1 1 361.142 2.368 20 0 FEADMM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000934222040 681528119 /nfs/dbraw/zinc/52/81/19/681528119.db2.gz GAPMMLQDOSBOJL-LLVKDONJSA-N -1 1 359.253 2.493 20 0 FEADMM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777967162 681549442 /nfs/dbraw/zinc/54/94/42/681549442.db2.gz IVFVEAXDHPYEDG-UHFFFAOYSA-N -1 1 363.270 2.260 20 0 FEADMM COCCOCCCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777983265 681552492 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CCc1ccsc1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000948626770 681590598 /nfs/dbraw/zinc/59/05/98/681590598.db2.gz ZZALDQFLQHDAMW-DGCLKSJQSA-N -1 1 359.451 2.302 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2C=CS(=O)(=O)C2)c1 ZINC000778447692 681612229 /nfs/dbraw/zinc/61/22/29/681612229.db2.gz CZMBLPWOWBSFRN-SECBINFHSA-N -1 1 360.229 2.350 20 0 FEADMM CSCC[C@H](NC(=O)CCc1ccc(OC(F)F)cc1)c1nn[n-]n1 ZINC000912860328 685458624 /nfs/dbraw/zinc/45/86/24/685458624.db2.gz MFCTXCZQYGSEST-LBPRGKRZSA-N -1 1 371.413 2.344 20 0 FEADMM COc1ccccc1CC(C)=CC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860536 685459224 /nfs/dbraw/zinc/45/92/24/685459224.db2.gz PQKWVTLRRLCNEM-GETOMWPZSA-N -1 1 361.471 2.308 20 0 FEADMM COc1ccccc1C/C(C)=C/C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860536 685459227 /nfs/dbraw/zinc/45/92/27/685459227.db2.gz PQKWVTLRRLCNEM-GETOMWPZSA-N -1 1 361.471 2.308 20 0 FEADMM COc1cccc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1O ZINC000778568562 681625172 /nfs/dbraw/zinc/62/51/72/681625172.db2.gz 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CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2c([O-])cccc2F)C1 ZINC000783691319 682167529 /nfs/dbraw/zinc/16/75/29/682167529.db2.gz YNEIJNKNFQFSDA-UHFFFAOYSA-N -1 1 354.378 2.496 20 0 FEADMM C[C@@H]1CCN(C(=O)N[C@H]2CCOC(C)(C)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852227047 682243001 /nfs/dbraw/zinc/24/30/01/682243001.db2.gz RDFRFAASXMHJHX-WOPDTQHZSA-N -1 1 365.396 2.043 20 0 FEADMM CC(C)OCCCCNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852249798 682248233 /nfs/dbraw/zinc/24/82/33/682248233.db2.gz PIKJDRZRVAGYOK-OLZOCXBDSA-N -1 1 367.412 2.290 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1OC ZINC000917722187 685534112 /nfs/dbraw/zinc/53/41/12/685534112.db2.gz SIZYQGOZOLVJQN-UHFFFAOYSA-N -1 1 363.391 2.483 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc(-n4cccn4)c3)cc21 ZINC000917740374 685534373 /nfs/dbraw/zinc/53/43/73/685534373.db2.gz OOBHEKKCDIKOGC-UHFFFAOYSA-N -1 1 355.375 2.344 20 0 FEADMM CSCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000852521343 682294389 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O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC000898213615 690145272 /nfs/dbraw/zinc/14/52/72/690145272.db2.gz XMMXYHAVYWLEST-MRVPVSSYSA-N -1 1 352.188 2.213 20 0 FEADMM CC(C)c1nc([C@@H](CO)NC(=O)c2ccc3n[n-]c(=S)n3c2)cs1 ZINC000898375195 690170765 /nfs/dbraw/zinc/17/07/65/690170765.db2.gz LOOHEQPZKIHPPM-SNVBAGLBSA-N -1 1 363.468 2.061 20 0 FEADMM C[C@]1(C(=O)[N-]OCc2ccc(F)cc2Br)CCNC(=O)C1 ZINC000898474547 690188837 /nfs/dbraw/zinc/18/88/37/690188837.db2.gz LKZCBYSPNUXQSZ-AWEZNQCLSA-N -1 1 359.195 2.052 20 0 FEADMM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@H]1c1nnc[nH]1 ZINC000899108521 690306293 /nfs/dbraw/zinc/30/62/93/690306293.db2.gz KTSJJBVNMYKHPV-JTQLQIEISA-N -1 1 355.167 2.389 20 0 FEADMM O=C(N[C@]12C[C@H]1COC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000899249215 690325103 /nfs/dbraw/zinc/32/51/03/690325103.db2.gz LEPXMNTWSOBVMR-KSSFIOAISA-N -1 1 358.419 2.006 20 0 FEADMM CC(C)Cn1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000901320180 690635871 /nfs/dbraw/zinc/63/58/71/690635871.db2.gz QOSJMGDHSSWJDX-UHFFFAOYSA-N -1 1 354.407 2.302 20 0 FEADMM O=C([O-])CC1CCN(Cc2cnn3cc(Br)cnc23)CC1 ZINC000901419121 690644878 /nfs/dbraw/zinc/64/48/78/690644878.db2.gz WXVSDJORVHNAMF-UHFFFAOYSA-N -1 1 353.220 2.179 20 0 FEADMM COCCn1c(=O)cc([O-])nc1S[C@H]1CCCc2ccccc2C1=O ZINC000901656743 690674382 /nfs/dbraw/zinc/67/43/82/690674382.db2.gz NLUYKLZPLFBEPX-AWEZNQCLSA-N -1 1 360.435 2.275 20 0 FEADMM Cc1c(Br)ccc([N-]S(=O)(=O)N=S(C)(C)=O)c1F ZINC000901662386 690675232 /nfs/dbraw/zinc/67/52/32/690675232.db2.gz OTBBLTCXLNOGOX-UHFFFAOYSA-N -1 1 359.242 2.281 20 0 FEADMM COc1ccc([C@H](NCc2ccc(C)nn2)C(=O)[O-])cc1Br ZINC000901825780 690698177 /nfs/dbraw/zinc/69/81/77/690698177.db2.gz AWSWGRIKQVPRGE-AWEZNQCLSA-N -1 1 366.215 2.472 20 0 FEADMM COc1ccc([C@@H](NCc2ccnn2C)C(=O)[O-])cc1Br ZINC000901826361 690698195 /nfs/dbraw/zinc/69/81/95/690698195.db2.gz CKNCERIFJQMRLU-CYBMUJFWSA-N -1 1 354.204 2.107 20 0 FEADMM O=C([O-])[C@@H]1CSCCN(Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000901891063 690708507 /nfs/dbraw/zinc/70/85/07/690708507.db2.gz QQCDWLLWDMIDQR-JTQLQIEISA-N -1 1 361.366 2.266 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2c(C)cc(C)c(F)c2C)n1 ZINC000901895458 690709766 /nfs/dbraw/zinc/70/97/66/690709766.db2.gz PVUSGFDKLYUMMX-UHFFFAOYSA-N -1 1 354.407 2.163 20 0 FEADMM O=C([O-])c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000902253851 690752424 /nfs/dbraw/zinc/75/24/24/690752424.db2.gz VHBSIYSGIFDXQI-LLVKDONJSA-N -1 1 351.346 2.070 20 0 FEADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000902606095 690785195 /nfs/dbraw/zinc/78/51/95/690785195.db2.gz FWVCOYSNXOAJCK-ZIAGYGMSSA-N -1 1 361.471 2.230 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c(Cl)c(C)nn3C)cc21 ZINC000903164927 690859224 /nfs/dbraw/zinc/85/92/24/690859224.db2.gz FJICGQLAHNTXJK-UHFFFAOYSA-N -1 1 368.846 2.092 20 0 FEADMM COC(=O)C1CC2(C1)CN(Cc1nc3ccccc3s1)C[C@@H]2C(=O)[O-] ZINC000903415623 690891225 /nfs/dbraw/zinc/89/12/25/690891225.db2.gz LGSVPNOEUMZTIK-BJCXPLBRSA-N -1 1 360.435 2.382 20 0 FEADMM CC[C@@H](C)[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000903591527 690934350 /nfs/dbraw/zinc/93/43/50/690934350.db2.gz OZZOEEIPLUZNAJ-RHSMWYFYSA-N -1 1 368.499 2.109 20 0 FEADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)nc1 ZINC000903612626 690938396 /nfs/dbraw/zinc/93/83/96/690938396.db2.gz AAYLFUHFARIPLV-UHFFFAOYSA-N -1 1 363.414 2.332 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2c(Cl)c(C)nn2C)cc1F ZINC000903640759 690946973 /nfs/dbraw/zinc/94/69/73/690946973.db2.gz FDFUHODECDDEOA-UHFFFAOYSA-N -1 1 351.762 2.470 20 0 FEADMM Cc1c(Br)cncc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000903671292 690955181 /nfs/dbraw/zinc/95/51/81/690955181.db2.gz HSEBAKGAGUJKGK-UHFFFAOYSA-N -1 1 368.278 2.071 20 0 FEADMM COc1c(Br)cccc1CN[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000904047783 690997695 /nfs/dbraw/zinc/99/76/95/690997695.db2.gz JGCNJHGZWBSWBQ-CYBMUJFWSA-N -1 1 368.231 2.415 20 0 FEADMM CC(C)(c1noc([C@]2(C(=O)[O-])CNCCO2)n1)c1cccc(Cl)c1F ZINC000904692591 691041453 /nfs/dbraw/zinc/04/14/53/691041453.db2.gz OWMZZCSHIZEHKK-INIZCTEOSA-N -1 1 369.780 2.088 20 0 FEADMM COc1cccc([C@H](NCCS(=O)(=O)Cc2ccccc2)C(=O)[O-])c1 ZINC000905396046 691113612 /nfs/dbraw/zinc/11/36/12/691113612.db2.gz QHAJCXWQLKSVAR-KRWDZBQOSA-N -1 1 363.435 2.026 20 0 FEADMM CCc1cc([N-]S(=O)(=O)N=S2(=O)CCCC2)c2ccccc2n1 ZINC000906060526 691224364 /nfs/dbraw/zinc/22/43/64/691224364.db2.gz AAQORTQOYDJVAA-UHFFFAOYSA-N -1 1 353.469 2.138 20 0 FEADMM O=C(C[N-]C(=O)C(F)(F)c1ncccc1Br)OCC1CC1 ZINC000906505057 691277929 /nfs/dbraw/zinc/27/79/29/691277929.db2.gz AKINNJKDFYGDFF-UHFFFAOYSA-N -1 1 363.158 2.005 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000906943672 691350062 /nfs/dbraw/zinc/35/00/62/691350062.db2.gz CICDTHNMSZWVLU-YPMHNXCESA-N -1 1 372.462 2.231 20 0 FEADMM CCCN(CCN1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000906981763 691359974 /nfs/dbraw/zinc/35/99/74/691359974.db2.gz SEABQKLRRSLFPG-UHFFFAOYSA-N -1 1 372.462 2.411 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1Cl ZINC000907025168 691373058 /nfs/dbraw/zinc/37/30/58/691373058.db2.gz BCRKVGCBPVHOQD-CABCVRRESA-N -1 1 372.874 2.333 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2CCN2C(C)(C)C)c1C ZINC000907031156 691375255 /nfs/dbraw/zinc/37/52/55/691375255.db2.gz YKMXWKWASXLQMD-CQSZACIVSA-N -1 1 354.472 2.153 20 0 FEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000907054073 691382045 /nfs/dbraw/zinc/38/20/45/691382045.db2.gz VFRFVZIQGGORDY-CQSZACIVSA-N -1 1 370.446 2.209 20 0 FEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000907054073 691382047 /nfs/dbraw/zinc/38/20/47/691382047.db2.gz VFRFVZIQGGORDY-CQSZACIVSA-N -1 1 370.446 2.209 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CCC12CCN(C)CC2 ZINC000907130748 691403223 /nfs/dbraw/zinc/40/32/23/691403223.db2.gz VJLAZDUKHDEKIB-UHFFFAOYSA-N -1 1 372.874 2.205 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)cccc32)c1 ZINC000907445808 691484191 /nfs/dbraw/zinc/48/41/91/691484191.db2.gz YUQQVEABJLJXHI-GFCCVEGCSA-N -1 1 355.343 2.007 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-]CC(C)(C)C2CCOCC2)c1C(F)(F)F ZINC000907458620 691488413 /nfs/dbraw/zinc/48/84/13/691488413.db2.gz VXNGWFAPUFBOFJ-UHFFFAOYSA-N -1 1 369.409 2.170 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@@H](C2CC2)O1)c1ncccc1Br ZINC000907470991 691491441 /nfs/dbraw/zinc/49/14/41/691491441.db2.gz LKTJSUPXXLRGJN-PWSUYJOCSA-N -1 1 361.261 2.080 20 0 FEADMM O=C(CCc1ccccc1C(F)(F)F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473903 691493239 /nfs/dbraw/zinc/49/32/39/691493239.db2.gz VLQANXDHFCLIIY-GFCCVEGCSA-N -1 1 371.388 2.468 20 0 FEADMM CC[C@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(OC)cc1 ZINC000907473931 691493380 /nfs/dbraw/zinc/49/33/80/691493380.db2.gz IGXJYAQDFDCHDN-IUODEOHRSA-N -1 1 361.471 2.409 20 0 FEADMM O=C(c1nc(-c2ccccc2)cs1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480882 691497664 /nfs/dbraw/zinc/49/76/64/691497664.db2.gz WSIHQWDBPLWAEF-GFCCVEGCSA-N -1 1 358.452 2.254 20 0 FEADMM COc1ccc(C=C(C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1F ZINC000907481088 691497979 /nfs/dbraw/zinc/49/79/79/691497979.db2.gz ZDVBOIGFWDSGAL-PGJNLMOESA-N -1 1 363.418 2.067 20 0 FEADMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480981 691497992 /nfs/dbraw/zinc/49/79/92/691497992.db2.gz RNTJOMGGPCDKBE-CABCVRRESA-N -1 1 359.455 2.106 20 0 FEADMM O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907482572 691498563 /nfs/dbraw/zinc/49/85/63/691498563.db2.gz QQWSEYQSFIBOEV-XHSDSOJGSA-N -1 1 357.483 2.475 20 0 FEADMM CS(=O)(=O)CCCCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC000907503940 691504164 /nfs/dbraw/zinc/50/41/64/691504164.db2.gz VDLVHALSNFNPOC-UHFFFAOYSA-N -1 1 354.403 2.024 20 0 FEADMM O=C([N-]C1(c2nc[nH]n2)CCC1)C(F)(F)c1ncccc1Br ZINC000907648877 691532625 /nfs/dbraw/zinc/53/26/25/691532625.db2.gz UJGNDDNZSWZSIK-UHFFFAOYSA-N -1 1 372.173 2.250 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)Cc2cccc(C)c2)[n-]c1=O ZINC000908015698 691598853 /nfs/dbraw/zinc/59/88/53/691598853.db2.gz DOGUIEMNIQQJCG-AWEZNQCLSA-N -1 1 363.439 2.166 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)CCCC(C)(C)C)[n-]c1=O ZINC000908017815 691599320 /nfs/dbraw/zinc/59/93/20/691599320.db2.gz ZRYPWUXPRAHUNZ-LBPRGKRZSA-N -1 1 357.476 2.484 20 0 FEADMM O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cnc(C2CC2)[n-]c1=O ZINC000908413483 691675296 /nfs/dbraw/zinc/67/52/96/691675296.db2.gz GMGUCKIRCKQIDY-SNVBAGLBSA-N -1 1 358.364 2.064 20 0 FEADMM O=S(=O)([N-][C@H]1COC[C@@H]1C1CC1)c1sccc1Br ZINC000908417363 691676033 /nfs/dbraw/zinc/67/60/33/691676033.db2.gz XUVHTNBUQYHCQF-SCZZXKLOSA-N -1 1 352.275 2.214 20 0 FEADMM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000908745100 691721749 /nfs/dbraw/zinc/72/17/49/691721749.db2.gz XWYBHVNLTPVDPB-MELADBBJSA-N -1 1 353.394 2.013 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@H](COC)C(=O)[O-])c1ccccc1Cl ZINC000908749833 691722160 /nfs/dbraw/zinc/72/21/60/691722160.db2.gz ZHDCQRYWQNZVSI-HUUCEWRRSA-N -1 1 371.865 2.122 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(CC(=O)[O-])C1CCCC1)c1cccc(F)c1 ZINC000908753713 691723501 /nfs/dbraw/zinc/72/35/01/691723501.db2.gz OFAJUXQGAWUITJ-INIZCTEOSA-N -1 1 351.422 2.467 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)c1cccc(F)c1 ZINC000908753099 691723581 /nfs/dbraw/zinc/72/35/81/691723581.db2.gz LKZMSDCKRKGMDG-AWEZNQCLSA-N -1 1 369.462 2.078 20 0 FEADMM C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000908769193 691726590 /nfs/dbraw/zinc/72/65/90/691726590.db2.gz OVJREEIDODKWMP-LBPRGKRZSA-N -1 1 353.850 2.419 20 0 FEADMM O=C([O-])C[C@H](NC(=O)CN1CCCC1)c1ccc(Br)cc1 ZINC000908850394 691740137 /nfs/dbraw/zinc/74/01/37/691740137.db2.gz ZMSJFMOFDKCIFI-ZDUSSCGKSA-N -1 1 355.232 2.177 20 0 FEADMM CCN(CCC(=O)[O-])C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000908859153 691741925 /nfs/dbraw/zinc/74/19/25/691741925.db2.gz OXCQCHIONSBUII-UHFFFAOYSA-N -1 1 367.199 2.227 20 0 FEADMM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000909096385 691777602 /nfs/dbraw/zinc/77/76/02/691777602.db2.gz UISHKGCEHXDGDS-MRXNPFEDSA-N -1 1 353.438 2.398 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC2CC1(C(=O)[O-])C2)c1ccc(Cl)cc1 ZINC000909121750 691781521 /nfs/dbraw/zinc/78/15/21/691781521.db2.gz GFAZAJSCNLXFQA-WKXXDYOBSA-N -1 1 351.834 2.201 20 0 FEADMM C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000909125156 691782242 /nfs/dbraw/zinc/78/22/42/691782242.db2.gz CPIDZDMFPWFAEV-GXFFZTMASA-N -1 1 361.364 2.423 20 0 FEADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)CN2CCOCC2)cc1 ZINC000909328299 691808541 /nfs/dbraw/zinc/80/85/41/691808541.db2.gz IHNDBXVRNDOBLD-CZUORRHYSA-N -1 1 366.483 2.009 20 0 FEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1)CCC2 ZINC000909552040 691833108 /nfs/dbraw/zinc/83/31/08/691833108.db2.gz MNWRLHMEWBBEPD-TZMCWYRMSA-N -1 1 365.499 2.338 20 0 FEADMM O=C([O-])[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000909816227 691859118 /nfs/dbraw/zinc/85/91/18/691859118.db2.gz RLEDWHNYEBKKLZ-MRXNPFEDSA-N -1 1 361.829 2.297 20 0 FEADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000909843424 691864086 /nfs/dbraw/zinc/86/40/86/691864086.db2.gz HXNPRPMNLJOHFI-WBVHZDCISA-N -1 1 354.491 2.275 20 0 FEADMM CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909982926 691878369 /nfs/dbraw/zinc/87/83/69/691878369.db2.gz NVTKTTHXSMZAPG-UHFFFAOYSA-N -1 1 358.341 2.245 20 0 FEADMM COC[C@H](C)n1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000506510770 817893575 /nfs/dbraw/zinc/89/35/75/817893575.db2.gz ILNBSMIOAKUDSB-LBPRGKRZSA-N -1 1 353.382 2.297 20 0 FEADMM O=C([O-])[C@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)C1CCCCC1 ZINC000780506710 939129805 /nfs/dbraw/zinc/12/98/05/939129805.db2.gz KGERYVMJXVELME-OAHLLOKOSA-N -1 1 357.414 2.304 20 0 FEADMM O=C([O-])[C@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000780506710 939129810 /nfs/dbraw/zinc/12/98/10/939129810.db2.gz KGERYVMJXVELME-OAHLLOKOSA-N -1 1 357.414 2.304 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN(C)CCc2ccccc2)C(=O)[O-])cc1 ZINC000909329668 939396434 /nfs/dbraw/zinc/39/64/34/939396434.db2.gz WJIXHISPWDMMOT-LJQANCHMSA-N -1 1 356.422 2.112 20 0 FEADMM CC1(C)CCC[C@](NC(=O)C2CCC(N3CCOCC3)CC2)(C(=O)[O-])C1 ZINC000910214732 939752776 /nfs/dbraw/zinc/75/27/76/939752776.db2.gz AVANOYNCYWZWKH-ALLBUHFWSA-N -1 1 366.502 2.417 20 0 FEADMM C[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000663143088 939858322 /nfs/dbraw/zinc/85/83/22/939858322.db2.gz GWOYOBZTYRWWNV-MRXNPFEDSA-N -1 1 374.481 2.080 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)cc1Cl ZINC000011908705 539538422 /nfs/dbraw/zinc/53/84/22/539538422.db2.gz WHEXCHBGGAENDY-UHFFFAOYSA-N -1 1 368.798 2.480 20 0 FEADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000024431004 539731660 /nfs/dbraw/zinc/73/16/60/539731660.db2.gz DJMRQNVXJWRVOS-UHFFFAOYSA-N -1 1 374.340 2.370 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC(=O)NCC(F)(F)F)n1 ZINC000025479463 539761342 /nfs/dbraw/zinc/76/13/42/539761342.db2.gz MFFIHMWMKZTIOS-SSDOTTSWSA-N -1 1 366.365 2.003 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc2c(c1)CCCC2 ZINC000026542630 539789718 /nfs/dbraw/zinc/78/97/18/539789718.db2.gz MMQSDVXOGWBEBG-UHFFFAOYSA-N -1 1 355.423 2.342 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000549922696 674072098 /nfs/dbraw/zinc/07/20/98/674072098.db2.gz DKYKGRKYCBGUQL-LLVKDONJSA-N -1 1 370.215 2.431 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)C(C)C)o1 ZINC000027634318 539813103 /nfs/dbraw/zinc/81/31/03/539813103.db2.gz KVGMOBSHZFJCTM-AWEZNQCLSA-N -1 1 350.440 2.357 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)o1 ZINC000031489779 539908798 /nfs/dbraw/zinc/90/87/98/539908798.db2.gz OZTGIGRJIKYEKQ-UHFFFAOYSA-N -1 1 356.469 2.390 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)cc1 ZINC000031669839 539915375 /nfs/dbraw/zinc/91/53/75/539915375.db2.gz IGDAMKJKYBUYHD-UHFFFAOYSA-N -1 1 373.434 2.102 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000800833374 674080124 /nfs/dbraw/zinc/08/01/24/674080124.db2.gz UPQUCBSOLUYJCX-UHFFFAOYSA-N -1 1 362.333 2.118 20 0 FEADMM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1sccc1Br ZINC000042375387 540060930 /nfs/dbraw/zinc/06/09/30/540060930.db2.gz OYMSSUSPMPQZQL-QMMMGPOBSA-N -1 1 350.263 2.074 20 0 FEADMM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000042625521 540070762 /nfs/dbraw/zinc/07/07/62/540070762.db2.gz AQIFQVNESBUCHB-UHFFFAOYSA-N -1 1 362.432 2.435 20 0 FEADMM O=C(CCN1C(=O)CSc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043751425 540108703 /nfs/dbraw/zinc/10/87/03/540108703.db2.gz IUGGQQKQXJVUHI-UHFFFAOYSA-N -1 1 371.344 2.291 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)o1 ZINC000046673235 540266388 /nfs/dbraw/zinc/26/63/88/540266388.db2.gz DCFZOYGKOLXBID-UHFFFAOYSA-N -1 1 365.411 2.035 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2sccc2C1 ZINC000047330756 540304081 /nfs/dbraw/zinc/30/40/81/540304081.db2.gz SMXUEIAAHMNMIS-UHFFFAOYSA-N -1 1 366.446 2.329 20 0 FEADMM Cn1c(Cc2csc(NC(=O)CC[C@H]3CCCO3)n2)n[n-]c1=S ZINC000047437068 540311217 /nfs/dbraw/zinc/31/12/17/540311217.db2.gz PDZCTIARZVPJBT-SNVBAGLBSA-N -1 1 353.473 2.423 20 0 FEADMM COc1ccc(C)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000047906652 540333439 /nfs/dbraw/zinc/33/34/39/540333439.db2.gz SCNITAHURGTCED-UHFFFAOYSA-N -1 1 351.380 2.268 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(N)=O ZINC000050534509 540408252 /nfs/dbraw/zinc/40/82/52/540408252.db2.gz RUEWNJILNSMNFL-UHFFFAOYSA-N -1 1 372.406 2.112 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)o1 ZINC000053547338 540542109 /nfs/dbraw/zinc/54/21/09/540542109.db2.gz WLJSDEMVZNVQFJ-GFCCVEGCSA-N -1 1 366.439 2.466 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-n4cccn4)c(F)c3)cc2o1 ZINC000054293546 540581842 /nfs/dbraw/zinc/58/18/42/540581842.db2.gz ZQUKBXKXPNEWLI-UHFFFAOYSA-N -1 1 374.353 2.247 20 0 FEADMM Cn1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cn1 ZINC000054289177 540581907 /nfs/dbraw/zinc/58/19/07/540581907.db2.gz KEDFMVZXIZJRBG-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1C(N)=O ZINC000055632748 540666173 /nfs/dbraw/zinc/66/61/73/540666173.db2.gz LGEZDFQNBFNICV-UHFFFAOYSA-N -1 1 370.434 2.140 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000055632792 540666324 /nfs/dbraw/zinc/66/63/24/540666324.db2.gz UUYDRGMLYPISBU-UHFFFAOYSA-N -1 1 370.434 2.109 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1OCC(N)=O ZINC000055606813 540664055 /nfs/dbraw/zinc/66/40/55/540664055.db2.gz CHTUGWKUEIXNBR-UHFFFAOYSA-N -1 1 370.814 2.014 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1F ZINC000055678346 540670032 /nfs/dbraw/zinc/67/00/32/540670032.db2.gz KNVXYGATDKHVNZ-UHFFFAOYSA-N -1 1 352.387 2.433 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C1Cc2ccccc2C1 ZINC000056300054 540717187 /nfs/dbraw/zinc/71/71/87/540717187.db2.gz GTDSGMRQBFZINI-UHFFFAOYSA-N -1 1 374.444 2.309 20 0 FEADMM COCCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000060510067 541115675 /nfs/dbraw/zinc/11/56/75/541115675.db2.gz FBEMQLJNYHQTEO-UHFFFAOYSA-N -1 1 357.378 2.469 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000064336155 541201446 /nfs/dbraw/zinc/20/14/46/541201446.db2.gz VLZHLXWWDCIOOP-UHFFFAOYSA-N -1 1 367.365 2.058 20 0 FEADMM COC(=O)N[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000066619937 541348137 /nfs/dbraw/zinc/34/81/37/541348137.db2.gz KNPTWMZZSNXYJO-INIZCTEOSA-N -1 1 362.426 2.194 20 0 FEADMM CCn1c(CNC(=O)COc2cccc(Br)c2)n[n-]c1=S ZINC000066636200 541351452 /nfs/dbraw/zinc/35/14/52/541351452.db2.gz OYZFAWFGEAFUAL-UHFFFAOYSA-N -1 1 371.260 2.418 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)o1 ZINC000066857469 541381846 /nfs/dbraw/zinc/38/18/46/541381846.db2.gz YKRHJOIXTDXHBG-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM CC(C)(C)c1ccc(CCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000067157705 541426838 /nfs/dbraw/zinc/42/68/38/541426838.db2.gz FGRQSDVBSARKAV-UHFFFAOYSA-N -1 1 364.471 2.467 20 0 FEADMM CC(C)(C)c1ccc(CCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000067157705 541426842 /nfs/dbraw/zinc/42/68/42/541426842.db2.gz FGRQSDVBSARKAV-UHFFFAOYSA-N -1 1 364.471 2.467 20 0 FEADMM O=C(NCCNc1ccc2ccccc2n1)c1nc2ccccc2c(=O)[n-]1 ZINC000067540942 541477854 /nfs/dbraw/zinc/47/78/54/541477854.db2.gz DLGZTALTEKQAKO-UHFFFAOYSA-N -1 1 359.389 2.313 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1nn(-c2ccccc2)cc1OC ZINC000543130600 541538125 /nfs/dbraw/zinc/53/81/25/541538125.db2.gz QDMWWLDHCVEEQR-UHFFFAOYSA-N -1 1 369.381 2.043 20 0 FEADMM O=C(NCc1nnc2n1CCCC2)c1ccc(Br)cc1[O-] ZINC000068429077 541590862 /nfs/dbraw/zinc/59/08/62/541590862.db2.gz KYMFJNOTINKDDA-UHFFFAOYSA-N -1 1 351.204 2.013 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000069128399 541661531 /nfs/dbraw/zinc/66/15/31/541661531.db2.gz GGBDOIBRBIBWGZ-JTQLQIEISA-N -1 1 373.866 2.318 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)n1 ZINC000069877703 541722294 /nfs/dbraw/zinc/72/22/94/541722294.db2.gz PWYXXGQFIFSZLF-INIZCTEOSA-N -1 1 368.372 2.435 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000071034228 541760124 /nfs/dbraw/zinc/76/01/24/541760124.db2.gz QBYYMOWJEVDNEW-UHFFFAOYSA-N -1 1 359.451 2.447 20 0 FEADMM Cc1cccc(-n2cc([O-])c(C(=O)OCCCCS(C)(=O)=O)n2)c1C ZINC000801419135 674126243 /nfs/dbraw/zinc/12/62/43/674126243.db2.gz XTRVDPLOFJPKHD-UHFFFAOYSA-N -1 1 366.439 2.176 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCn1ccc2ccccc21 ZINC000074161904 542045637 /nfs/dbraw/zinc/04/56/37/542045637.db2.gz SQKNNCJQOBLLAI-UHFFFAOYSA-N -1 1 363.421 2.301 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1ccccc1OC(C)C ZINC000074161970 542045647 /nfs/dbraw/zinc/04/56/47/542045647.db2.gz JMRUTHVGBZDDCP-UHFFFAOYSA-N -1 1 368.437 2.286 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCOCc1ccccc1 ZINC000074161839 542045739 /nfs/dbraw/zinc/04/57/39/542045739.db2.gz XTLZHCKBDWONIA-UHFFFAOYSA-N -1 1 368.437 2.253 20 0 FEADMM CCN(CCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccc(C)c1 ZINC000074273073 542062460 /nfs/dbraw/zinc/06/24/60/542062460.db2.gz MMNXSLWXRVCZRU-UHFFFAOYSA-N -1 1 350.422 2.488 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)O)c2)c1 ZINC000075236365 542162978 /nfs/dbraw/zinc/16/29/78/542162978.db2.gz LBOLXXICPYBANF-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)c1 ZINC000075576879 542189461 /nfs/dbraw/zinc/18/94/61/542189461.db2.gz ZKBSJVGEMSCCMI-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM NC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000010044279 207293780 /nfs/dbraw/zinc/29/37/80/207293780.db2.gz VKTYLOHDWMPVFI-GFCCVEGCSA-N -1 1 359.234 2.498 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c(F)c1 ZINC000551478040 674146478 /nfs/dbraw/zinc/14/64/78/674146478.db2.gz WUKRQVJBNBUHIE-UHFFFAOYSA-N -1 1 352.362 2.360 20 0 FEADMM O=C(NCc1ccc(N2CCCCC2)nc1)c1nc2ccccc2c(=O)[n-]1 ZINC000079402668 542516639 /nfs/dbraw/zinc/51/66/39/542516639.db2.gz YHEIOPVOJXTGTA-UHFFFAOYSA-N -1 1 363.421 2.238 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cnc2ccsc2c1 ZINC000084460591 542716086 /nfs/dbraw/zinc/71/60/86/542716086.db2.gz VYBLPSPVBUCOFC-UHFFFAOYSA-N -1 1 358.408 2.073 20 0 FEADMM O=S(=O)([N-][C@H]1CCCN(c2ncccn2)C1)c1cc2ccccc2o1 ZINC000084936813 542722857 /nfs/dbraw/zinc/72/28/57/542722857.db2.gz JRYNYSQBUFYYDC-AWEZNQCLSA-N -1 1 358.423 2.170 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084938781 542723834 /nfs/dbraw/zinc/72/38/34/542723834.db2.gz FIJSGZBIBYWHGJ-CHWSQXEVSA-N -1 1 357.453 2.067 20 0 FEADMM O=C(c1cncc([O-])c1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000089460938 542763688 /nfs/dbraw/zinc/76/36/88/542763688.db2.gz MNBDEDJCRXSRGM-CYBMUJFWSA-N -1 1 353.300 2.495 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CO)c2)c1 ZINC000097203296 543007000 /nfs/dbraw/zinc/00/70/00/543007000.db2.gz FJCGDMIBHFCAGT-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1CCOC1 ZINC000102381020 543067684 /nfs/dbraw/zinc/06/76/84/543067684.db2.gz VBMAXDTVVYNKAP-HNNXBMFYSA-N -1 1 360.435 2.140 20 0 FEADMM CCCS(=O)(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000102414190 543069170 /nfs/dbraw/zinc/06/91/70/543069170.db2.gz SZINCHIMJVTTGF-UHFFFAOYSA-N -1 1 368.480 2.317 20 0 FEADMM Cc1ccc(N2CC[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)C2=O)cc1 ZINC000102889549 543084122 /nfs/dbraw/zinc/08/41/22/543084122.db2.gz VWLHTQCCRNXZPY-SNVBAGLBSA-N -1 1 353.304 2.124 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nnn[n-]1 ZINC000102895111 543084755 /nfs/dbraw/zinc/08/47/55/543084755.db2.gz QOIXCFZNPOGUCH-UHFFFAOYSA-N -1 1 366.212 2.490 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nn[n-]n1 ZINC000102895111 543084756 /nfs/dbraw/zinc/08/47/56/543084756.db2.gz QOIXCFZNPOGUCH-UHFFFAOYSA-N -1 1 366.212 2.490 20 0 FEADMM C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000103943086 543118708 /nfs/dbraw/zinc/11/87/08/543118708.db2.gz GFKXTXCQHGGSMI-ZDUSSCGKSA-N -1 1 374.462 2.087 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000104840092 543146632 /nfs/dbraw/zinc/14/66/32/543146632.db2.gz ZKNUGSPFXCPACK-UHFFFAOYSA-N -1 1 362.393 2.211 20 0 FEADMM O=C([C@H](c1ccccc1)S(=O)(=O)c1nc(C2CC2)n[n-]1)N1CCCCC1 ZINC000105723872 543181063 /nfs/dbraw/zinc/18/10/63/543181063.db2.gz KQJWSMSGDOSFAK-HNNXBMFYSA-N -1 1 374.466 2.210 20 0 FEADMM O=C([C@H](c1ccccc1)S(=O)(=O)c1n[n-]c(C2CC2)n1)N1CCCCC1 ZINC000105723872 543181066 /nfs/dbraw/zinc/18/10/66/543181066.db2.gz KQJWSMSGDOSFAK-HNNXBMFYSA-N -1 1 374.466 2.210 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000108785639 543303469 /nfs/dbraw/zinc/30/34/69/543303469.db2.gz GKAJBWUOHWDFQC-LLVKDONJSA-N -1 1 367.331 2.314 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)c2ccc(Cl)cn2)c(=O)[n-]1 ZINC000109731350 543335548 /nfs/dbraw/zinc/33/55/48/543335548.db2.gz QDXJMAPVTSRNDF-UHFFFAOYSA-N -1 1 352.847 2.444 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1Cl ZINC000112266809 543436843 /nfs/dbraw/zinc/43/68/43/543436843.db2.gz HLOXIFHORLCAPN-UHFFFAOYSA-N -1 1 370.818 2.275 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000112393808 543444799 /nfs/dbraw/zinc/44/47/99/543444799.db2.gz DCPDEKNXTQWRAR-UHFFFAOYSA-N -1 1 361.405 2.207 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000551951403 674175595 /nfs/dbraw/zinc/17/55/95/674175595.db2.gz HMTRIJKFTKMSBL-UHFFFAOYSA-N -1 1 352.416 2.028 20 0 FEADMM O=C(NCc1ncc[nH]1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000114124351 543504539 /nfs/dbraw/zinc/50/45/39/543504539.db2.gz NIYBOAGDVWUOQS-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000114412424 543513887 /nfs/dbraw/zinc/51/38/87/543513887.db2.gz JGHJYILNNZSSOR-LSDHHAIUSA-N -1 1 354.385 2.198 20 0 FEADMM COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114411524 543513922 /nfs/dbraw/zinc/51/39/22/543513922.db2.gz OXAWCFXRKCSBKC-HOTGVXAUSA-N -1 1 366.421 2.068 20 0 FEADMM CCCc1nnc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000115667050 543580497 /nfs/dbraw/zinc/58/04/97/543580497.db2.gz DBLYPXWVNSEKRG-UHFFFAOYSA-N -1 1 370.438 2.126 20 0 FEADMM Cc1cc(O[C@@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1C(C)C ZINC000116206307 543604658 /nfs/dbraw/zinc/60/46/58/543604658.db2.gz KTXYCBIEPAMBDI-NSHDSACASA-N -1 1 366.443 2.046 20 0 FEADMM Cc1cc(O[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)ccc1C(C)C ZINC000116206307 543604661 /nfs/dbraw/zinc/60/46/61/543604661.db2.gz KTXYCBIEPAMBDI-NSHDSACASA-N -1 1 366.443 2.046 20 0 FEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000118747742 543657932 /nfs/dbraw/zinc/65/79/32/543657932.db2.gz JLHKPUMGDLMQOM-UHFFFAOYSA-N -1 1 355.759 2.266 20 0 FEADMM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1cccc2ncccc21 ZINC000122937183 543732420 /nfs/dbraw/zinc/73/24/20/543732420.db2.gz NPGIMFJUZGGIJL-UHFFFAOYSA-N -1 1 366.406 2.140 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CCO)cc2)cc1 ZINC000123577049 543770445 /nfs/dbraw/zinc/77/04/45/543770445.db2.gz CHXLRPCXNQPKHA-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1cc(Br)cs1)c1nn[n-]n1 ZINC000124566011 543829643 /nfs/dbraw/zinc/82/96/43/543829643.db2.gz ZLKQRNQMKNQFSI-MRVPVSSYSA-N -1 1 358.265 2.218 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1ccc(F)c(F)c1F ZINC000125592803 543890543 /nfs/dbraw/zinc/89/05/43/543890543.db2.gz PVQAJQSXFJGGHG-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127158714 543976320 /nfs/dbraw/zinc/97/63/20/543976320.db2.gz NCGIIDXAVKWIBX-SECBINFHSA-N -1 1 368.846 2.445 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cc1 ZINC000126767833 543955864 /nfs/dbraw/zinc/95/58/64/543955864.db2.gz AAJOBQAJZPGSII-UHFFFAOYSA-N -1 1 350.444 2.159 20 0 FEADMM CC(C)COc1ncc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1Cl ZINC000128216701 544039354 /nfs/dbraw/zinc/03/93/54/544039354.db2.gz YIGRAFXAMMPBJC-LLVKDONJSA-N -1 1 364.837 2.303 20 0 FEADMM CCCn1c2ccccc2nc1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000128261662 544042312 /nfs/dbraw/zinc/04/23/12/544042312.db2.gz RLLVBZDXMCFVGC-UHFFFAOYSA-N -1 1 362.411 2.200 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CCO)C1CCCCC1 ZINC000130095781 544138935 /nfs/dbraw/zinc/13/89/35/544138935.db2.gz CLYKNQSABUPVKN-QGZVFWFLSA-N -1 1 374.485 2.432 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1nccn1CC(C)C ZINC000131202286 544179877 /nfs/dbraw/zinc/17/98/77/544179877.db2.gz NTMWLQMLFXBAFO-UHFFFAOYSA-N -1 1 370.457 2.153 20 0 FEADMM O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000133387128 544267898 /nfs/dbraw/zinc/26/78/98/544267898.db2.gz HWSDJPIZRMFWFL-NSHDSACASA-N -1 1 362.821 2.057 20 0 FEADMM O=C(CCNC(=O)c1ccc(Br)cc1[O-])N1CCCCC1 ZINC000134437293 544307910 /nfs/dbraw/zinc/30/79/10/544307910.db2.gz ITVXPQWFNWNFBK-UHFFFAOYSA-N -1 1 355.232 2.287 20 0 FEADMM Cc1nc(C(C)(C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)sc1C ZINC000135030341 544331621 /nfs/dbraw/zinc/33/16/21/544331621.db2.gz WMJXZZOBLNIYDI-UHFFFAOYSA-N -1 1 373.482 2.307 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C(C)(C)c1cccc(F)c1 ZINC000134947471 544329010 /nfs/dbraw/zinc/32/90/10/544329010.db2.gz IZDCSUMFJCFUDJ-UHFFFAOYSA-N -1 1 356.401 2.373 20 0 FEADMM Cc1cc(F)cc(NC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)c1 ZINC000135041256 544331952 /nfs/dbraw/zinc/33/19/52/544331952.db2.gz IGCDKLNRXBXWFQ-UHFFFAOYSA-N -1 1 353.357 2.164 20 0 FEADMM CC[C@H](C)n1c(SCC(=O)Nc2nnn[n-]2)nnc1-c1ccccc1 ZINC000135472368 544348567 /nfs/dbraw/zinc/34/85/67/544348567.db2.gz ZXACIWQMFLWQAE-JTQLQIEISA-N -1 1 358.431 2.160 20 0 FEADMM CC[C@H](C)n1c(SCC(=O)Nc2nn[n-]n2)nnc1-c1ccccc1 ZINC000135472368 544348568 /nfs/dbraw/zinc/34/85/68/544348568.db2.gz ZXACIWQMFLWQAE-JTQLQIEISA-N -1 1 358.431 2.160 20 0 FEADMM C[C@H](O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000136040587 544365558 /nfs/dbraw/zinc/36/55/58/544365558.db2.gz PKTOEIPGNGGTHY-LBPRGKRZSA-N -1 1 366.414 2.127 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NC[C@H]2CCCCO2)cc1 ZINC000140097977 544406838 /nfs/dbraw/zinc/40/68/38/544406838.db2.gz SGIDYNIHNRBCDT-CQSZACIVSA-N -1 1 362.455 2.302 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nn[n-]n1 ZINC000136635420 544376133 /nfs/dbraw/zinc/37/61/33/544376133.db2.gz PQQOGALUMRROHC-CYBMUJFWSA-N -1 1 353.386 2.398 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000136956839 544381850 /nfs/dbraw/zinc/38/18/50/544381850.db2.gz QPPGLUUVKWXGIN-UHFFFAOYSA-N -1 1 357.801 2.176 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)co1 ZINC000151799529 544581096 /nfs/dbraw/zinc/58/10/96/544581096.db2.gz XSTOBVYRNLEGRR-MRXNPFEDSA-N -1 1 362.451 2.343 20 0 FEADMM C[C@@H](CO)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000151935990 544597711 /nfs/dbraw/zinc/59/77/11/544597711.db2.gz VVSPNBBSLJBLIS-KBPBESRZSA-N -1 1 362.451 2.234 20 0 FEADMM C[C@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000152713916 544686562 /nfs/dbraw/zinc/68/65/62/544686562.db2.gz CMRBNCLQHOIRFB-IBGZPJMESA-N -1 1 374.462 2.474 20 0 FEADMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)n1 ZINC000153689976 544808901 /nfs/dbraw/zinc/80/89/01/544808901.db2.gz CJCKBWOQOHNEAE-JTQLQIEISA-N -1 1 373.438 2.392 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OC(F)F)co1 ZINC000153773231 544821541 /nfs/dbraw/zinc/82/15/41/544821541.db2.gz MMYQOBVPSYQELY-UHFFFAOYSA-N -1 1 364.301 2.181 20 0 FEADMM O=S(=O)([N-]C[C@H]1COc2ccccc2O1)c1cc(F)c(F)cc1F ZINC000552480965 674211697 /nfs/dbraw/zinc/21/16/97/674211697.db2.gz MUECSRVEHQRDHW-VIFPVBQESA-N -1 1 359.325 2.222 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(Cl)cc(F)c1Br ZINC000552491801 674212057 /nfs/dbraw/zinc/21/20/57/674212057.db2.gz ZTMTZOHGCNDWMK-UHFFFAOYSA-N -1 1 360.574 2.174 20 0 FEADMM O=C([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccc2cncn2c1 ZINC000803054969 674220271 /nfs/dbraw/zinc/22/02/71/674220271.db2.gz SNKYKAQGYCZHQS-UHFFFAOYSA-N -1 1 363.826 2.290 20 0 FEADMM Cc1cc(C)c(CS(=O)(=O)c2ncn[n-]2)c(OCc2ccccc2)n1 ZINC000553190065 674244109 /nfs/dbraw/zinc/24/41/09/674244109.db2.gz YPWMSSALMSEXDT-UHFFFAOYSA-N -1 1 358.423 2.369 20 0 FEADMM Cc1cc(C)c(CS(=O)(=O)c2nc[n-]n2)c(OCc2ccccc2)n1 ZINC000553190065 674244112 /nfs/dbraw/zinc/24/41/12/674244112.db2.gz YPWMSSALMSEXDT-UHFFFAOYSA-N -1 1 358.423 2.369 20 0 FEADMM Cc1cc(CCNC(=O)c2ccc(I)c([O-])c2)on1 ZINC000553573228 674272130 /nfs/dbraw/zinc/27/21/30/674272130.db2.gz YGKCNGFKNLQUPE-UHFFFAOYSA-N -1 1 372.162 2.266 20 0 FEADMM CC[C@@H](CSC)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000182570570 327780532 /nfs/dbraw/zinc/78/05/32/327780532.db2.gz CHLAYYXTJFKRNI-AWEZNQCLSA-N -1 1 360.483 2.331 20 0 FEADMM Cc1cc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)no1 ZINC000553798690 674286437 /nfs/dbraw/zinc/28/64/37/674286437.db2.gz UGBQPYZFYQIFHM-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000188375318 328083322 /nfs/dbraw/zinc/08/33/22/328083322.db2.gz XHCCLHWAEOWGPJ-GFCCVEGCSA-N -1 1 359.369 2.294 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)no1 ZINC000190011454 328182176 /nfs/dbraw/zinc/18/21/76/328182176.db2.gz HVAMNYOHPABCFC-UHFFFAOYSA-N -1 1 364.196 2.067 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000190554118 328215919 /nfs/dbraw/zinc/21/59/19/328215919.db2.gz HUQIWCYGQZJMRM-FQEVSTJZSA-N -1 1 374.485 2.432 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)o1 ZINC000190745837 328229687 /nfs/dbraw/zinc/22/96/87/328229687.db2.gz STEPQJVQSIJYSP-OAHLLOKOSA-N -1 1 364.467 2.432 20 0 FEADMM O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000191312555 328259599 /nfs/dbraw/zinc/25/95/99/328259599.db2.gz BPVFMRSBVJUYRV-RHSMWYFYSA-N -1 1 374.462 2.378 20 0 FEADMM COC[C@H](Cc1ccccc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000191452439 328266452 /nfs/dbraw/zinc/26/64/52/328266452.db2.gz BECZSWLIVPXBCL-HNNXBMFYSA-N -1 1 351.406 2.253 20 0 FEADMM CCO[C@H]1C[C@](O)(CNC(=O)c2ccc(Br)c([O-])c2)C1(C)C ZINC000191759860 328280270 /nfs/dbraw/zinc/28/02/70/328280270.db2.gz ZHXHCNUWJGYOMM-BBRMVZONSA-N -1 1 372.259 2.451 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC000192073026 328298330 /nfs/dbraw/zinc/29/83/30/328298330.db2.gz UNJLPWYFQDHLTC-INIZCTEOSA-N -1 1 366.421 2.004 20 0 FEADMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)cc2Br)C1=O ZINC000193173326 328361201 /nfs/dbraw/zinc/36/12/01/328361201.db2.gz VPJQKEFWBPTLSX-ZDUSSCGKSA-N -1 1 374.622 2.468 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194663591 328434666 /nfs/dbraw/zinc/43/46/66/328434666.db2.gz LAPQXDPNVIVXHR-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM COc1ccccc1CCNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000022229692 324398616 /nfs/dbraw/zinc/39/86/16/324398616.db2.gz GVYKSZZCTKDROT-UHFFFAOYSA-N -1 1 361.467 2.100 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000038709737 324495794 /nfs/dbraw/zinc/49/57/94/324495794.db2.gz LNNTWOUJJFGHEU-UHFFFAOYSA-N -1 1 360.435 2.321 20 0 FEADMM Cc1cc(CNC(=O)c2ccc(I)c([O-])c2)on1 ZINC000230890664 328486925 /nfs/dbraw/zinc/48/69/25/328486925.db2.gz NDHKKSJQDALLPU-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM O=C1NCc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000058497412 324838086 /nfs/dbraw/zinc/83/80/86/324838086.db2.gz AYLVKQWAZRVMFA-UHFFFAOYSA-N -1 1 367.224 2.493 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000077389022 324989664 /nfs/dbraw/zinc/98/96/64/324989664.db2.gz PDXMQANLKOFFDE-NSHDSACASA-N -1 1 364.464 2.008 20 0 FEADMM CCc1noc([C@@H](C)S(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)n1 ZINC000077647163 325001889 /nfs/dbraw/zinc/00/18/89/325001889.db2.gz FZEWVSCQQPDGSS-SNVBAGLBSA-N -1 1 353.448 2.408 20 0 FEADMM C[C@H]([N-]S(=O)(=O)Cc1ccon1)c1nc(-c2ccc(F)cc2)no1 ZINC000078052024 325029326 /nfs/dbraw/zinc/02/93/26/325029326.db2.gz DDJBUWSUNMDARU-VIFPVBQESA-N -1 1 352.347 2.044 20 0 FEADMM O=S(=O)([N-]CCCOCC(F)(F)F)c1ccc(F)c(F)c1F ZINC000078532322 325050640 /nfs/dbraw/zinc/05/06/40/325050640.db2.gz ZBCBRDKVWZXBIH-UHFFFAOYSA-N -1 1 351.268 2.351 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000078657731 325056651 /nfs/dbraw/zinc/05/66/51/325056651.db2.gz ALLCIQHJBYPGEN-UHFFFAOYSA-N -1 1 363.421 2.463 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000079465936 325092407 /nfs/dbraw/zinc/09/24/07/325092407.db2.gz PYQJOYUQPCKRSV-UHFFFAOYSA-N -1 1 360.377 2.198 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)c1 ZINC000080940330 325149484 /nfs/dbraw/zinc/14/94/84/325149484.db2.gz IQCGPQIXIJYDAA-UHFFFAOYSA-N -1 1 368.480 2.099 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)CCc2cccs2)c(=O)[n-]1 ZINC000081300208 325168574 /nfs/dbraw/zinc/16/85/74/325168574.db2.gz ALKIVVNCBCZEFC-UHFFFAOYSA-N -1 1 351.497 2.495 20 0 FEADMM CCn1c(CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)n[n-]c1=S ZINC000081636025 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CCc1cc(=O)[n-]c(SCC(=O)N2CCN(c3cccc(C)c3)CC2)n1 ZINC000096640414 325456032 /nfs/dbraw/zinc/45/60/32/325456032.db2.gz AGJANINBUAOMHJ-UHFFFAOYSA-N -1 1 372.494 2.082 20 0 FEADMM NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000097028898 325456891 /nfs/dbraw/zinc/45/68/91/325456891.db2.gz YRVPIDXKTZPHNZ-UHFFFAOYSA-N -1 1 352.390 2.226 20 0 FEADMM CC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(OC)cc1 ZINC000103940038 325529118 /nfs/dbraw/zinc/52/91/18/325529118.db2.gz PNOMIODVHDDYMM-KRWDZBQOSA-N -1 1 368.437 2.458 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000104878489 325549223 /nfs/dbraw/zinc/54/92/23/325549223.db2.gz GTLJMXZVGIPYKG-MRXNPFEDSA-N -1 1 366.421 2.212 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)o1 ZINC000115473826 325960544 /nfs/dbraw/zinc/96/05/44/325960544.db2.gz OGBZTVJJGQJRKH-ZDUSSCGKSA-N -1 1 366.464 2.118 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(C)c1 ZINC000116159108 325996486 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CC[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121008393 326306148 /nfs/dbraw/zinc/30/61/48/326306148.db2.gz SACKSAIWUNOOKN-SSDOTTSWSA-N -1 1 358.204 2.167 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)ccc2N1 ZINC000121073970 326311415 /nfs/dbraw/zinc/31/14/15/326311415.db2.gz FGASSMTVSNFDEN-UHFFFAOYSA-N -1 1 354.391 2.372 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1sccc1Br ZINC000121729420 326361960 /nfs/dbraw/zinc/36/19/60/326361960.db2.gz ZCLIEVWPDFURCZ-RKDXNWHRSA-N -1 1 354.291 2.340 20 0 FEADMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000126542260 326490857 /nfs/dbraw/zinc/49/08/57/326490857.db2.gz BJFOWDWRSSEMGT-ZETCQYMHSA-N -1 1 372.299 2.137 20 0 FEADMM C[C@H](CC(=O)NCCCc1nc(=O)[n-][nH]1)c1ccc(Br)cc1 ZINC000129466253 326541091 /nfs/dbraw/zinc/54/10/91/326541091.db2.gz YKPQAUJOYXHHMJ-SNVBAGLBSA-N -1 1 367.247 2.103 20 0 FEADMM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131251151 326570952 /nfs/dbraw/zinc/57/09/52/326570952.db2.gz 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/nfs/dbraw/zinc/28/03/02/329280302.db2.gz SCSUQXYEUBGCIY-UHFFFAOYSA-N -1 1 363.439 2.372 20 0 FEADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000268023357 329377457 /nfs/dbraw/zinc/37/74/57/329377457.db2.gz WMMKCPUZGVHBPY-ZDUSSCGKSA-N -1 1 357.428 2.023 20 0 FEADMM COc1ccc(NC(=O)N2CCS[C@H](C)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000268994591 329476198 /nfs/dbraw/zinc/47/61/98/329476198.db2.gz HVAJBYDFVKLJPA-GHMZBOCLSA-N -1 1 373.500 2.424 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCCOCc2ccccc2)c1 ZINC000270045616 329570514 /nfs/dbraw/zinc/57/05/14/329570514.db2.gz SYKHIAGDYNGBHE-UHFFFAOYSA-N -1 1 367.423 2.342 20 0 FEADMM Cn1nccc1CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271205022 329672940 /nfs/dbraw/zinc/67/29/40/329672940.db2.gz CCQLMIKQQIGVIT-UHFFFAOYSA-N -1 1 372.303 2.167 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2([C@H](C)CCO)CCC2)c(=O)[n-]1 ZINC000271878312 329733365 /nfs/dbraw/zinc/73/33/65/329733365.db2.gz MOJHIWDURAEPHS-GFCCVEGCSA-N -1 1 367.515 2.450 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(=O)[n-]1 ZINC000272226138 329761574 /nfs/dbraw/zinc/76/15/74/329761574.db2.gz KYMHOXBZHYUQSH-ZIAGYGMSSA-N -1 1 367.515 2.401 20 0 FEADMM COCc1cc(C(=O)[N-]c2cccnc2SCCC(=O)OC)no1 ZINC000273303129 329853938 /nfs/dbraw/zinc/85/39/38/329853938.db2.gz VDBRVTBVERGGIR-UHFFFAOYSA-N -1 1 351.384 2.124 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1Cl ZINC000273403011 329862294 /nfs/dbraw/zinc/86/22/94/329862294.db2.gz HDNDBINXTOGRGC-QWHCGFSZSA-N -1 1 373.837 2.411 20 0 FEADMM CCOc1cc(C(=O)N(CCS(C)(=O)=O)C(C)C)cc(Cl)c1[O-] ZINC000273898752 329900731 /nfs/dbraw/zinc/90/07/31/329900731.db2.gz WYPOWZSGDUKOSP-UHFFFAOYSA-N -1 1 363.863 2.340 20 0 FEADMM CCOc1cc(C(=O)NCCS(=O)(=O)C(C)(C)C)cc(Cl)c1[O-] ZINC000273953996 329905211 /nfs/dbraw/zinc/90/52/11/329905211.db2.gz NKBWZPPOOOKBQO-UHFFFAOYSA-N -1 1 363.863 2.387 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000274052036 329911485 /nfs/dbraw/zinc/91/14/85/329911485.db2.gz HEFQYJMRUKTFQF-NSHDSACASA-N -1 1 361.847 2.094 20 0 FEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000274953948 329996376 /nfs/dbraw/zinc/99/63/76/329996376.db2.gz IJZIATRHHUNJPM-QGZVFWFLSA-N -1 1 362.451 2.057 20 0 FEADMM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000275077544 330008148 /nfs/dbraw/zinc/00/81/48/330008148.db2.gz XYIGIZWHSJWHDG-MRVPVSSYSA-N -1 1 369.317 2.062 20 0 FEADMM O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000275383336 330042303 /nfs/dbraw/zinc/04/23/03/330042303.db2.gz MNOAPCWLAFHTIW-QMMMGPOBSA-N -1 1 350.724 2.186 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2o1 ZINC000276250857 330133596 /nfs/dbraw/zinc/13/35/96/330133596.db2.gz WFBXZPSYXVLILM-SNVBAGLBSA-N -1 1 363.395 2.372 20 0 FEADMM COc1ccc(NC(=O)c2c[nH]nc2C(C)C)cc1[N-]S(C)(=O)=O ZINC000276508389 330159616 /nfs/dbraw/zinc/15/96/16/330159616.db2.gz XKBZOUGRAADMOF-UHFFFAOYSA-N -1 1 352.416 2.166 20 0 FEADMM COc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1[N-]S(C)(=O)=O ZINC000276508389 330159620 /nfs/dbraw/zinc/15/96/20/330159620.db2.gz XKBZOUGRAADMOF-UHFFFAOYSA-N -1 1 352.416 2.166 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)co1 ZINC000281817150 330176562 /nfs/dbraw/zinc/17/65/62/330176562.db2.gz VGVKARORSQCURS-JTQLQIEISA-N -1 1 354.453 2.401 20 0 FEADMM Cc1ncc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C(C)C)n1 ZINC000291384217 330188532 /nfs/dbraw/zinc/18/85/32/330188532.db2.gz FRYVROBKOYNNDR-LBPRGKRZSA-N -1 1 372.391 2.439 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000299685542 330198009 /nfs/dbraw/zinc/19/80/09/330198009.db2.gz YZLFVCGMCCAINE-NSHDSACASA-N -1 1 374.509 2.177 20 0 FEADMM CCCc1nc([C@H]([N-]S(=O)(=O)C[C@@H](C)OC)c2ccccc2)no1 ZINC000367038593 330210136 /nfs/dbraw/zinc/21/01/36/330210136.db2.gz ZSSGLESVWBAOFR-IUODEOHRSA-N -1 1 353.444 2.066 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1OCC(C)C ZINC000367185400 330227307 /nfs/dbraw/zinc/22/73/07/330227307.db2.gz LYMPQCNRDQTNKV-AWEZNQCLSA-N -1 1 359.430 2.263 20 0 FEADMM CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000367246994 330235488 /nfs/dbraw/zinc/23/54/88/330235488.db2.gz QRHMRLMPTVOFRR-UHFFFAOYSA-N -1 1 363.410 2.176 20 0 FEADMM COCCCO[N-]C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000805040267 674314671 /nfs/dbraw/zinc/31/46/71/674314671.db2.gz SZXFBOWEKYDKPT-SNVBAGLBSA-N -1 1 361.225 2.431 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)c(Br)o1 ZINC000805110219 674319264 /nfs/dbraw/zinc/31/92/64/674319264.db2.gz PYXFQFSJGDEIQT-SECBINFHSA-N -1 1 366.233 2.296 20 0 FEADMM CC(C)CCS(=O)(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805125914 674320995 /nfs/dbraw/zinc/32/09/95/674320995.db2.gz MLRHACLIPCWDMJ-SRVKXCTJSA-N -1 1 358.426 2.140 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1c(Cl)cccc1Cl ZINC000554891755 674340036 /nfs/dbraw/zinc/34/00/36/674340036.db2.gz GVSMFRUZZOPVNH-UHFFFAOYSA-N -1 1 350.227 2.393 20 0 FEADMM CCc1noc(C)c1C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000555376308 674358516 /nfs/dbraw/zinc/35/85/16/674358516.db2.gz CTKWUGPVXZEARV-UHFFFAOYSA-N -1 1 356.400 2.020 20 0 FEADMM Cc1cc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)nn1C ZINC000806362574 674374708 /nfs/dbraw/zinc/37/47/08/674374708.db2.gz WAXUCIZFBDEFIG-PEXQALLHSA-N -1 1 361.368 2.038 20 0 FEADMM CCCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000155472339 545530711 /nfs/dbraw/zinc/53/07/11/545530711.db2.gz BEPJCZZBYASVAT-OAHLLOKOSA-N -1 1 371.441 2.358 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(CC)CC ZINC000155508293 545534718 /nfs/dbraw/zinc/53/47/18/545534718.db2.gz JWJCFJBPWAQABL-KBPBESRZSA-N -1 1 372.487 2.244 20 0 FEADMM O=C(c1ccnc(SCC(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155519170 545536731 /nfs/dbraw/zinc/53/67/31/545536731.db2.gz TVVJTESGUUFBQA-SNVBAGLBSA-N -1 1 372.376 2.269 20 0 FEADMM CCc1n[nH]c(=O)c(C(=O)Nc2nc(Br)ccc2[O-])c1CC ZINC000156368890 545622490 /nfs/dbraw/zinc/62/24/90/545622490.db2.gz FEPPSLZEUSBMCF-UHFFFAOYSA-N -1 1 367.203 2.010 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C(C1CC1)C1CC1 ZINC000156951993 545682108 /nfs/dbraw/zinc/68/21/08/545682108.db2.gz CMWYASIVJMMXEY-UHFFFAOYSA-N -1 1 350.440 2.208 20 0 FEADMM O=c1cc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c2ccc([O-])cc2o1 ZINC000157093300 545699504 /nfs/dbraw/zinc/69/95/04/545699504.db2.gz HYDGNCHKPSPPPY-YOEHRIQHSA-N -1 1 371.389 2.416 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cc3nn[nH]n3)cc2)c1 ZINC000160111906 546008524 /nfs/dbraw/zinc/00/85/24/546008524.db2.gz TYQCCKVWTQLOSR-UHFFFAOYSA-N -1 1 371.422 2.184 20 0 FEADMM COc1cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c(OC)c(C)c1OC ZINC000478602564 561170786 /nfs/dbraw/zinc/17/07/86/561170786.db2.gz ZVHPBGHNTVIYHC-UHFFFAOYSA-N -1 1 372.381 2.260 20 0 FEADMM Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3nc([O-])n[nH]3)cc12 ZINC000479750816 561196124 /nfs/dbraw/zinc/19/61/24/561196124.db2.gz VVUKZHXSXBYHEL-UHFFFAOYSA-N -1 1 368.422 2.208 20 0 FEADMM NC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000175694676 546335399 /nfs/dbraw/zinc/33/53/99/546335399.db2.gz XATFUPHCVCNDJM-UHFFFAOYSA-N -1 1 351.255 2.460 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCOC)c2ccc(C)o2)o1 ZINC000480049851 561202098 /nfs/dbraw/zinc/20/20/98/561202098.db2.gz HFCXPMZQXSKHEU-GFCCVEGCSA-N -1 1 371.411 2.414 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1cccc(COc2cccc(F)c2)c1 ZINC000176258688 546425077 /nfs/dbraw/zinc/42/50/77/546425077.db2.gz DNSDAAJEMCUCIG-UHFFFAOYSA-N -1 1 370.384 2.179 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000176259173 546425287 /nfs/dbraw/zinc/42/52/87/546425287.db2.gz NYYRQZLAZTYSLL-RYUDHWBXSA-N -1 1 355.225 2.257 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](CCO)CC(C)C ZINC000176294457 546428440 /nfs/dbraw/zinc/42/84/40/546428440.db2.gz MNPAJMWZMNSNGP-HNNXBMFYSA-N -1 1 362.474 2.145 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H](CCO)CC(C)C ZINC000176294476 546428732 /nfs/dbraw/zinc/42/87/32/546428732.db2.gz MNPAJMWZMNSNGP-OAHLLOKOSA-N -1 1 362.474 2.145 20 0 FEADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ncccc1[O-] ZINC000176434617 546445918 /nfs/dbraw/zinc/44/59/18/546445918.db2.gz XEIVMHBYMAZGGC-NSHDSACASA-N -1 1 370.327 2.318 20 0 FEADMM Cn1cc(Br)cc(NC(=O)c2c[n-]c3ccccc3c2=O)c1=O ZINC000176441120 546446829 /nfs/dbraw/zinc/44/68/29/546446829.db2.gz RSKNVUHVWBRJNG-UHFFFAOYSA-N -1 1 374.194 2.242 20 0 FEADMM CCC[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000176782939 546487547 /nfs/dbraw/zinc/48/75/47/546487547.db2.gz HERUHXCFRNZJDU-ZDUSSCGKSA-N -1 1 364.837 2.021 20 0 FEADMM CCCCO[C@@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(C)C ZINC000176879409 546499907 /nfs/dbraw/zinc/49/99/07/546499907.db2.gz MBXPTQWBFFGEHV-JKSUJKDBSA-N -1 1 374.485 2.282 20 0 FEADMM Cc1c(NC(=O)c2cc(I)ccc2[O-])cnn1C ZINC000176942517 546512740 /nfs/dbraw/zinc/51/27/40/546512740.db2.gz WGHKKBGFEHBIMY-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM CC(=O)Nc1cccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481431993 561232730 /nfs/dbraw/zinc/23/27/30/561232730.db2.gz FNMVGWHQVPXHPU-UHFFFAOYSA-N -1 1 363.395 2.110 20 0 FEADMM COCc1cccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481466563 561233307 /nfs/dbraw/zinc/23/33/07/561233307.db2.gz NBJHVLNQLPDFNH-UHFFFAOYSA-N -1 1 350.396 2.298 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1OC ZINC000481473816 561233512 /nfs/dbraw/zinc/23/35/12/561233512.db2.gz GHKHFSWMOCKGDP-UHFFFAOYSA-N -1 1 366.395 2.169 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000178939856 546876741 /nfs/dbraw/zinc/87/67/41/546876741.db2.gz FYNFHBXLFWOLOU-IBGZPJMESA-N -1 1 371.462 2.114 20 0 FEADMM CN(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2o1 ZINC000481963202 561246221 /nfs/dbraw/zinc/24/62/21/561246221.db2.gz RLVRWDMONGXFNF-UHFFFAOYSA-N -1 1 361.379 2.423 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1C(=O)N(C)C ZINC000481964171 561246224 /nfs/dbraw/zinc/24/62/24/561246224.db2.gz VCLNKEZIJRYDFC-UHFFFAOYSA-N -1 1 369.830 2.246 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)C[C@H]2CCCO2)c2ccc(Cl)cc2)no1 ZINC000179989176 547036778 /nfs/dbraw/zinc/03/67/78/547036778.db2.gz MTZBLVZYZGJBHX-ZIAGYGMSSA-N -1 1 371.846 2.219 20 0 FEADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180533957 547126011 /nfs/dbraw/zinc/12/60/11/547126011.db2.gz ISLRUPGUTRIYDR-VIFPVBQESA-N -1 1 353.362 2.306 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482870527 561261713 /nfs/dbraw/zinc/26/17/13/561261713.db2.gz XKEJHDTYAQQIMD-QWHCGFSZSA-N -1 1 357.385 2.109 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2C)n[nH]1 ZINC000180924947 547210128 /nfs/dbraw/zinc/21/01/28/547210128.db2.gz PYRWMNSUYUMGGS-UHFFFAOYSA-N -1 1 357.345 2.472 20 0 FEADMM COc1cc(NC(=O)N2CCSCC[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000484147839 561292344 /nfs/dbraw/zinc/29/23/44/561292344.db2.gz QNSNNOGVQQVNMC-LLVKDONJSA-N -1 1 373.500 2.426 20 0 FEADMM CCOc1ccc(C=CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1OCC ZINC000183399490 547650591 /nfs/dbraw/zinc/65/05/91/547650591.db2.gz DZYYLIRBSGMEFA-AORWBKJGSA-N -1 1 359.430 2.272 20 0 FEADMM CCOc1cc2c(cc1C=CC(=O)N(C)C[C@H](C)c1nn[n-]n1)O[C@@H](C)C2 ZINC000183440388 547659104 /nfs/dbraw/zinc/65/91/04/547659104.db2.gz OGEGLDNTBQIVHB-XKZLPGLHSA-N -1 1 371.441 2.197 20 0 FEADMM COc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1-c1ccccn1 ZINC000183446526 547662127 /nfs/dbraw/zinc/66/21/27/547662127.db2.gz KJHUTILOCQLHTJ-GFCCVEGCSA-N -1 1 352.398 2.146 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184144841 547776630 /nfs/dbraw/zinc/77/66/30/547776630.db2.gz YZYQYEUSFJQYRU-UHFFFAOYSA-N -1 1 366.406 2.042 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)co1 ZINC000184923936 547901811 /nfs/dbraw/zinc/90/18/11/547901811.db2.gz ZRTOCMYHHREZLD-JTQLQIEISA-N -1 1 370.377 2.096 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)sc1C(=O)[O-] ZINC000184965913 547908006 /nfs/dbraw/zinc/90/80/06/547908006.db2.gz QUJCIDWTTDBJHQ-LBPRGKRZSA-N -1 1 360.501 2.153 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000185105433 547935025 /nfs/dbraw/zinc/93/50/25/547935025.db2.gz HIMGVOGIAUBCDO-GXTWGEPZSA-N -1 1 366.483 2.412 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485302773 561316578 /nfs/dbraw/zinc/31/65/78/561316578.db2.gz XBVHAGHQXGDIEK-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3ncsc3c2)co1 ZINC000485655305 561325014 /nfs/dbraw/zinc/32/50/14/561325014.db2.gz LOPRTGKDJYLGOD-SECBINFHSA-N -1 1 365.436 2.288 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)cc(Cl)c1[O-] ZINC000186715362 548179568 /nfs/dbraw/zinc/17/95/68/548179568.db2.gz NIGMSAXWNLTYIR-JTQLQIEISA-N -1 1 366.801 2.472 20 0 FEADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000486448565 561347262 /nfs/dbraw/zinc/34/72/62/561347262.db2.gz VHUPFGJTKMCQIB-MRXNPFEDSA-N -1 1 369.421 2.062 20 0 FEADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc2o1 ZINC000194141878 548440526 /nfs/dbraw/zinc/44/05/26/548440526.db2.gz NFQKMMWPJZBZJX-UHFFFAOYSA-N -1 1 373.390 2.197 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)o1 ZINC000486605913 561352065 /nfs/dbraw/zinc/35/20/65/561352065.db2.gz POWLIWQHSPUQNF-UWVGGRQHSA-N -1 1 370.431 2.127 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCCO)cc1 ZINC000194957991 548556758 /nfs/dbraw/zinc/55/67/58/548556758.db2.gz ZMRJMHLJQKXOSV-UHFFFAOYSA-N -1 1 362.451 2.298 20 0 FEADMM COC(=O)C1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000486896194 561359173 /nfs/dbraw/zinc/35/91/73/561359173.db2.gz FSKOFESZYUWRHG-UHFFFAOYSA-N -1 1 365.183 2.138 20 0 FEADMM C[C@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175524 548591790 /nfs/dbraw/zinc/59/17/90/548591790.db2.gz ADUYJXUXMCJAEC-LLVKDONJSA-N -1 1 356.492 2.056 20 0 FEADMM C[C@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175524 548591791 /nfs/dbraw/zinc/59/17/91/548591791.db2.gz ADUYJXUXMCJAEC-LLVKDONJSA-N -1 1 356.492 2.056 20 0 FEADMM C[C@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195175524 548591793 /nfs/dbraw/zinc/59/17/93/548591793.db2.gz ADUYJXUXMCJAEC-LLVKDONJSA-N -1 1 356.492 2.056 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000486983555 561360743 /nfs/dbraw/zinc/36/07/43/561360743.db2.gz DYZQTMWEZCHFGH-UHFFFAOYSA-N -1 1 359.813 2.333 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(CC)CC ZINC000487123649 561364264 /nfs/dbraw/zinc/36/42/64/561364264.db2.gz WMLGNBVWRQPMDF-OLZOCXBDSA-N -1 1 359.444 2.328 20 0 FEADMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000195480591 548647213 /nfs/dbraw/zinc/64/72/13/548647213.db2.gz NMIUTQRMWYYSHE-XCBNKYQSSA-N -1 1 370.780 2.162 20 0 FEADMM CC(C)(CCO)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230902379 548762591 /nfs/dbraw/zinc/76/25/91/548762591.db2.gz GWGPZGQQKQOQSR-UHFFFAOYSA-N -1 1 363.195 2.135 20 0 FEADMM C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230909660 548762800 /nfs/dbraw/zinc/76/28/00/548762800.db2.gz NBCUWBRWXCBLKK-AMIZOPFISA-N -1 1 361.179 2.294 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488943222 561400159 /nfs/dbraw/zinc/40/01/59/561400159.db2.gz PMCHPYIMCODPQM-NSHDSACASA-N -1 1 363.368 2.184 20 0 FEADMM CCc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000248864442 549517204 /nfs/dbraw/zinc/51/72/04/549517204.db2.gz HFKZBKSZBYKTSY-KGLIPLIRSA-N -1 1 368.499 2.346 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)CCN1C[C@H](C)O ZINC000249089712 549548989 /nfs/dbraw/zinc/54/89/89/549548989.db2.gz KCMOIHZPYRCHHP-NWDGAFQWSA-N -1 1 360.376 2.328 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C(N)=O ZINC000489705360 561417374 /nfs/dbraw/zinc/41/73/74/561417374.db2.gz VIXACASVEXIXJP-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(O)(C(F)F)CC3)nc2)[n-]c(=O)c1C ZINC000490012505 561424520 /nfs/dbraw/zinc/42/45/20/561424520.db2.gz MEENEEIVGCKSSP-UHFFFAOYSA-N -1 1 350.369 2.457 20 0 FEADMM CCC[C@@H](NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000262285780 549806384 /nfs/dbraw/zinc/80/63/84/549806384.db2.gz MFANEEZSXLVQPM-CVEARBPZSA-N -1 1 364.442 2.210 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000490331048 561431113 /nfs/dbraw/zinc/43/11/13/561431113.db2.gz PVTZLVYPAVDFGQ-QWRGUYRKSA-N -1 1 359.348 2.002 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])n[nH]2)cc1OC ZINC000262650238 549835338 /nfs/dbraw/zinc/83/53/38/549835338.db2.gz JGEGIAWXXCTEIL-CQSZACIVSA-N -1 1 359.382 2.173 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000490409572 561432559 /nfs/dbraw/zinc/43/25/59/561432559.db2.gz AMENYPDEOKCDOJ-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000263153943 549881716 /nfs/dbraw/zinc/88/17/16/549881716.db2.gz UYDMXHLXNTXPFS-GHMZBOCLSA-N -1 1 363.801 2.434 20 0 FEADMM Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263185628 549884060 /nfs/dbraw/zinc/88/40/60/549884060.db2.gz UTMJGBUEQPXGRG-KRWDZBQOSA-N -1 1 362.470 2.375 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCCc2cccc(O)c21 ZINC000490895938 561440005 /nfs/dbraw/zinc/44/00/05/561440005.db2.gz DKTFTPFAEUEKLH-GFCCVEGCSA-N -1 1 364.405 2.366 20 0 FEADMM CC(C)[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])c2ccccc2N1 ZINC000491083952 561442655 /nfs/dbraw/zinc/44/26/55/561442655.db2.gz IEHWGNSFYBXVSQ-AWEZNQCLSA-N -1 1 354.410 2.000 20 0 FEADMM COc1ccc(NC(=O)NC[C@]2(C)CCCS2)cc1[N-]S(C)(=O)=O ZINC000268302598 550047054 /nfs/dbraw/zinc/04/70/54/550047054.db2.gz UNVJZZNKGOMHCX-HNNXBMFYSA-N -1 1 373.500 2.474 20 0 FEADMM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccon3)n2)ccc1F ZINC000268522721 550081691 /nfs/dbraw/zinc/08/16/91/550081691.db2.gz VFQNGYWUOGKECR-SNVBAGLBSA-N -1 1 366.374 2.353 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000268552019 550085721 /nfs/dbraw/zinc/08/57/21/550085721.db2.gz INAALSNGWZPRJG-USXIJHARSA-N -1 1 368.437 2.169 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2ccc(OCc3ccccc3)cc2)n[n-]1 ZINC000492221813 561450258 /nfs/dbraw/zinc/45/02/58/561450258.db2.gz DEGXSHPNEWPGNW-UHFFFAOYSA-N -1 1 372.406 2.040 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 ZINC000492221813 561450259 /nfs/dbraw/zinc/45/02/59/561450259.db2.gz DEGXSHPNEWPGNW-UHFFFAOYSA-N -1 1 372.406 2.040 20 0 FEADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000271516463 550381837 /nfs/dbraw/zinc/38/18/37/550381837.db2.gz OPWITRSYNVWBER-QWRGUYRKSA-N -1 1 372.418 2.115 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2scnc2C(=O)OC)n[nH]1 ZINC000273178809 550488278 /nfs/dbraw/zinc/48/82/78/550488278.db2.gz GSTYUKZHEQSAPW-MRVPVSSYSA-N -1 1 358.445 2.357 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cn1C ZINC000273590424 550504359 /nfs/dbraw/zinc/50/43/59/550504359.db2.gz HERQLPVQRNQXEC-UHFFFAOYSA-N -1 1 362.411 2.187 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)OCC)n(C)c2)n[nH]1 ZINC000274029994 550520233 /nfs/dbraw/zinc/52/02/33/550520233.db2.gz WVOAKEPUKOYKGW-UHFFFAOYSA-N -1 1 354.432 2.068 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000274151814 550525459 /nfs/dbraw/zinc/52/54/59/550525459.db2.gz DSKKRDTYMYWPAO-HIFRSBDPSA-N -1 1 365.407 2.265 20 0 FEADMM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000276666755 550583172 /nfs/dbraw/zinc/58/31/72/550583172.db2.gz FOOXXEPQEKTVOS-VIFPVBQESA-N -1 1 371.684 2.183 20 0 FEADMM COC(=O)[C@@H](C)N(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCC1 ZINC000276751467 550592196 /nfs/dbraw/zinc/59/21/96/550592196.db2.gz MOIVMZCCVZLPMC-LLVKDONJSA-N -1 1 367.471 2.088 20 0 FEADMM COc1cc(NC(=O)N2CCS[C@H](C)CC2)ccc1[N-]S(C)(=O)=O ZINC000494717732 561475122 /nfs/dbraw/zinc/47/51/22/561475122.db2.gz KRVOXBUKVUHPKN-LLVKDONJSA-N -1 1 373.500 2.426 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCO2)cc(Cl)c1F ZINC000276871237 550605559 /nfs/dbraw/zinc/60/55/59/550605559.db2.gz LEWNIWMLFRDBSC-SECBINFHSA-N -1 1 351.783 2.186 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000277166418 550639015 /nfs/dbraw/zinc/63/90/15/550639015.db2.gz SKTQRJJGBSYNEE-OCCSQVGLSA-N -1 1 371.403 2.223 20 0 FEADMM O=c1[nH]c(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)nc2[nH]ncc21 ZINC000277257699 550648439 /nfs/dbraw/zinc/64/84/39/550648439.db2.gz WISLINNECZGZRV-KDOFPFPSSA-N -1 1 357.389 2.383 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000277799288 550715423 /nfs/dbraw/zinc/71/54/23/550715423.db2.gz XIAVWHIOVBNXIU-UHFFFAOYSA-N -1 1 371.441 2.413 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)[n-]1 ZINC000278648722 550807881 /nfs/dbraw/zinc/80/78/81/550807881.db2.gz MFVAKXRXUISNJL-SECBINFHSA-N -1 1 365.411 2.333 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)n1 ZINC000278648722 550807883 /nfs/dbraw/zinc/80/78/83/550807883.db2.gz MFVAKXRXUISNJL-SECBINFHSA-N -1 1 365.411 2.333 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279357850 550881266 /nfs/dbraw/zinc/88/12/66/550881266.db2.gz CWKSVEFPDRBFAN-OAHLLOKOSA-N -1 1 374.462 2.186 20 0 FEADMM CC(=O)N1CCC[C@@H](CNC(=O)c2cc(Br)ccc2[O-])C1 ZINC000279760036 550926069 /nfs/dbraw/zinc/92/60/69/550926069.db2.gz FDMADVYGIGRSHE-NSHDSACASA-N -1 1 355.232 2.143 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000279983638 550949683 /nfs/dbraw/zinc/94/96/83/550949683.db2.gz KCHGXBOEUHFYFT-GXTWGEPZSA-N -1 1 366.414 2.393 20 0 FEADMM CSc1nc(C)c(CCC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c(C)n1 ZINC000279989894 550950247 /nfs/dbraw/zinc/95/02/47/550950247.db2.gz ZXUHKYROCZMUOA-HMAPJEAMSA-N -1 1 356.455 2.042 20 0 FEADMM CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)[C@H](O)c1ccccc1 ZINC000280397293 550989422 /nfs/dbraw/zinc/98/94/22/550989422.db2.gz IBKIFMRBGIUIDA-GDBMZVCRSA-N -1 1 367.423 2.247 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C1CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000280528090 551004218 /nfs/dbraw/zinc/00/42/18/551004218.db2.gz GOBUAYUTNQIYTB-LBPRGKRZSA-N -1 1 372.245 2.198 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCCCC1 ZINC000280666840 551019415 /nfs/dbraw/zinc/01/94/15/551019415.db2.gz YBVUFRXRSQLKHC-UHFFFAOYSA-N -1 1 369.245 2.423 20 0 FEADMM Cc1nc(CN2CCC(CNC(=O)C(=O)c3ccc([O-])cc3)CC2)oc1C ZINC000280741994 551027140 /nfs/dbraw/zinc/02/71/40/551027140.db2.gz JQPGOAYXSXXACC-UHFFFAOYSA-N -1 1 371.437 2.208 20 0 FEADMM O=C(Nc1ccccc1)C1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000280831920 551037034 /nfs/dbraw/zinc/03/70/34/551037034.db2.gz TUSUHYIHMZHTBS-UHFFFAOYSA-N -1 1 352.390 2.452 20 0 FEADMM CCCCCc1nnc([N-]C(=O)c2cc(S(N)(=O)=O)oc2C)s1 ZINC000280865164 551040289 /nfs/dbraw/zinc/04/02/89/551040289.db2.gz BJDQXIMQOGIWKB-UHFFFAOYSA-N -1 1 358.445 2.072 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])C1CCN(CC(F)F)CC1 ZINC000280942962 551048184 /nfs/dbraw/zinc/04/81/84/551048184.db2.gz HZRUWNDAHKSMIJ-UHFFFAOYSA-N -1 1 364.190 2.465 20 0 FEADMM O=C(NCCC1CCN(CC(F)(F)F)CC1)C(=O)c1ccc([O-])cc1 ZINC000280974183 551050832 /nfs/dbraw/zinc/05/08/32/551050832.db2.gz OPSSPSFLCMQDKG-UHFFFAOYSA-N -1 1 358.360 2.356 20 0 FEADMM COCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000281425762 551095821 /nfs/dbraw/zinc/09/58/21/551095821.db2.gz REZZVHQZOMSTKG-MRVPVSSYSA-N -1 1 361.769 2.035 20 0 FEADMM COc1ccc(NC(=O)N(C)CCCSC)cc1[N-]S(C)(=O)=O ZINC000281444094 551098214 /nfs/dbraw/zinc/09/82/14/551098214.db2.gz RXRCJOWKUOGQRX-UHFFFAOYSA-N -1 1 361.489 2.284 20 0 FEADMM Cc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nn[n-]n1 ZINC000497350023 561499020 /nfs/dbraw/zinc/49/90/20/561499020.db2.gz JYOUNTMAHKTVBG-UHFFFAOYSA-N -1 1 350.407 2.500 20 0 FEADMM CN1C[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])[C@H](c2ccccc2)C1 ZINC000497414846 561500539 /nfs/dbraw/zinc/50/05/39/561500539.db2.gz FFIKXTTUYYBNIY-ROUUACIJSA-N -1 1 362.433 2.406 20 0 FEADMM Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282958131 551289779 /nfs/dbraw/zinc/28/97/79/551289779.db2.gz 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OQGHQAIWQMQAGZ-BBRMVZONSA-N -1 1 370.453 2.247 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(C)(C)C ZINC000324613639 553773158 /nfs/dbraw/zinc/77/31/58/553773158.db2.gz LPBVUVXIFRZIAH-OLZOCXBDSA-N -1 1 357.476 2.470 20 0 FEADMM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000326783431 553783066 /nfs/dbraw/zinc/78/30/66/553783066.db2.gz PFAOWTBUZHVEIP-UHFFFAOYSA-N -1 1 365.411 2.181 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000327060079 553785968 /nfs/dbraw/zinc/78/59/68/553785968.db2.gz ADRMQANMQHHDDB-UHFFFAOYSA-N -1 1 370.333 2.422 20 0 FEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1 ZINC000328018645 553793010 /nfs/dbraw/zinc/79/30/10/553793010.db2.gz IUWUCEKHCJDXMB-UHFFFAOYSA-N -1 1 365.430 2.475 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000506583223 561702625 /nfs/dbraw/zinc/70/26/25/561702625.db2.gz ACQCHLYJLSKMKL-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000506997964 561713571 /nfs/dbraw/zinc/71/35/71/561713571.db2.gz AJEIATAMLYIHAQ-CYBMUJFWSA-N -1 1 364.423 2.004 20 0 FEADMM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(C)nc3)cc2)no1 ZINC000506619941 561703935 /nfs/dbraw/zinc/70/39/35/561703935.db2.gz SMINRABWXGZUQM-UHFFFAOYSA-N -1 1 360.395 2.461 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000329441859 553947963 /nfs/dbraw/zinc/94/79/63/553947963.db2.gz LCTCAHHHBMPRGL-UHFFFAOYSA-N -1 1 362.499 2.582 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2ncc(-c3ccc(C)cc3)o2)n1 ZINC000506874425 561710709 /nfs/dbraw/zinc/71/07/09/561710709.db2.gz KAEBBQQKSOFMNM-UHFFFAOYSA-N -1 1 361.379 2.134 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)NC)c1 ZINC000507570908 561733795 /nfs/dbraw/zinc/73/37/95/561733795.db2.gz UKSZTSMQPLASPV-UHFFFAOYSA-N -1 1 372.443 2.097 20 0 FEADMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)ccc2O1 ZINC000507581803 561734155 /nfs/dbraw/zinc/73/41/55/561734155.db2.gz KLZHJTCLPFPZMX-UHFFFAOYSA-N -1 1 374.418 2.330 20 0 FEADMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1F ZINC000507587846 561734234 /nfs/dbraw/zinc/73/42/34/561734234.db2.gz XJSPFZFQMFGLRM-UHFFFAOYSA-N -1 1 365.386 2.408 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)cc(S(C)(=O)=O)c1 ZINC000507635501 561736039 /nfs/dbraw/zinc/73/60/39/561736039.db2.gz LVWWAEDPCPEKBU-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CN1C1CCCCC1 ZINC000330170758 554077909 /nfs/dbraw/zinc/07/79/09/554077909.db2.gz XDGUWWGSVQUUGH-GFCCVEGCSA-N -1 1 358.410 2.177 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ncccc3Cl)CC2)n1 ZINC000508161218 561753835 /nfs/dbraw/zinc/75/38/35/561753835.db2.gz KRANVCDSXLXNDE-UHFFFAOYSA-N -1 1 363.805 2.050 20 0 FEADMM CC(=O)N[C@H](CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc(C)cc1 ZINC000507879359 561744420 /nfs/dbraw/zinc/74/44/20/561744420.db2.gz ROAZWKUHQXCHDV-JKSUJKDBSA-N -1 1 372.425 2.057 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(OC)cc1O)c1ccccc1 ZINC000507888469 561744735 /nfs/dbraw/zinc/74/47/35/561744735.db2.gz BYUQULKPPULPAK-CQSZACIVSA-N -1 1 365.407 2.099 20 0 FEADMM O=C(c1ncccc1OCC(F)(F)F)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507907546 561745389 /nfs/dbraw/zinc/74/53/89/561745389.db2.gz GOBMEPXBXGVDSZ-VIFPVBQESA-N -1 1 372.303 2.131 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000330882840 554183072 /nfs/dbraw/zinc/18/30/72/554183072.db2.gz AWDNNTUHQZCOQL-UHFFFAOYSA-N -1 1 351.251 2.300 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](CC(N)=O)C2)c(=O)[n-]1 ZINC000331000165 554199517 /nfs/dbraw/zinc/19/95/17/554199517.db2.gz NSRCHKFDBILIFT-NSHDSACASA-N -1 1 352.460 2.309 20 0 FEADMM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000331162549 554223644 /nfs/dbraw/zinc/22/36/44/554223644.db2.gz GLXQPPWVSVUNQO-IUODEOHRSA-N -1 1 372.487 2.147 20 0 FEADMM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000331542654 554282628 /nfs/dbraw/zinc/28/26/28/554282628.db2.gz QPUIFRZOCULSFI-BXKDBHETSA-N -1 1 364.389 2.172 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)[C@@H](O)C3)c2)c1 ZINC000509312013 561794843 /nfs/dbraw/zinc/79/48/43/561794843.db2.gz VESQKCPPZWKRLN-KDOFPFPSSA-N -1 1 374.462 2.249 20 0 FEADMM COC(=O)c1cccc2nc(NC(=O)c3coc(C4CCOCC4)n3)[nH]c21 ZINC000509175534 561788282 /nfs/dbraw/zinc/78/82/82/561788282.db2.gz OEBMBIWWABJGTF-UHFFFAOYSA-N -1 1 370.365 2.484 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)co1 ZINC000331742002 554319643 /nfs/dbraw/zinc/31/96/43/554319643.db2.gz BCJLFMBHWUWHEV-MRVPVSSYSA-N -1 1 355.441 2.021 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1O ZINC000331759634 554321934 /nfs/dbraw/zinc/32/19/34/554321934.db2.gz BBYAOXLFRLISGF-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000331838506 554328112 /nfs/dbraw/zinc/32/81/12/554328112.db2.gz FTDMTRBTHPLRRC-NSHDSACASA-N -1 1 352.250 2.118 20 0 FEADMM CC[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509438115 561799735 /nfs/dbraw/zinc/79/97/35/561799735.db2.gz SIDPGJQFEDSZSE-VIFPVBQESA-N -1 1 370.254 2.219 20 0 FEADMM COC(=O)[C@@H](CN=c1nc([C@@H](C)OC)[n-]s1)Cc1ccccc1OC ZINC000509568315 561805435 /nfs/dbraw/zinc/80/54/35/561805435.db2.gz JMMQLMWSAVAADW-DGCLKSJQSA-N -1 1 365.455 2.120 20 0 FEADMM CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000509570522 561805706 /nfs/dbraw/zinc/80/57/06/561805706.db2.gz QTLOVZPENDQBQC-UHFFFAOYSA-N -1 1 370.333 2.422 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O ZINC000510008294 561821796 /nfs/dbraw/zinc/82/17/96/561821796.db2.gz QMZSYGCZWOTEBE-JGVFFNPUSA-N -1 1 370.254 2.218 20 0 FEADMM CC[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509925751 561818609 /nfs/dbraw/zinc/81/86/09/561818609.db2.gz MCLUZLCHBGKSKH-SECBINFHSA-N -1 1 370.254 2.219 20 0 FEADMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000509950312 561819421 /nfs/dbraw/zinc/81/94/21/561819421.db2.gz XAICUVFWWVRMMF-CQSZACIVSA-N -1 1 355.438 2.390 20 0 FEADMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000332428347 554444812 /nfs/dbraw/zinc/44/48/12/554444812.db2.gz GEGRDFJNKGXAMU-JCJUMFQOSA-N -1 1 372.643 2.433 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@H]1O ZINC000332509227 554458782 /nfs/dbraw/zinc/45/87/82/554458782.db2.gz CQOFCPORZZMBAU-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(C[S@@](C)=O)cc2)sc1C ZINC000510699408 561844020 /nfs/dbraw/zinc/84/40/20/561844020.db2.gz LHNUKTIRKYSZAD-OAQYLSRUSA-N -1 1 358.510 2.117 20 0 FEADMM C[C@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)CC2(CCOCC2)O1 ZINC000333476068 554616700 /nfs/dbraw/zinc/61/67/00/554616700.db2.gz DZSUBKKASQVGRN-HNNXBMFYSA-N -1 1 372.444 3.002 20 0 FEADMM Cc1occc1-c1noc(CCc2c(C)nc(N3CCOCC3)[n-]c2=O)n1 ZINC000350435983 554788916 /nfs/dbraw/zinc/78/89/16/554788916.db2.gz UJVVFUVYJXPPJA-UHFFFAOYSA-N -1 1 371.397 2.064 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cccnc3-n3cncn3)no2)c1 ZINC000350569052 554798284 /nfs/dbraw/zinc/79/82/84/554798284.db2.gz RHLVSMDWWPNAAZ-UHFFFAOYSA-N -1 1 363.337 2.043 20 0 FEADMM O=C1NC(=O)C2(CCC(c3nc(-c4ccc([O-])cc4Cl)no3)CC2)N1 ZINC000350819029 554815886 /nfs/dbraw/zinc/81/58/86/554815886.db2.gz XTDDFGWDZURWQN-UHFFFAOYSA-N -1 1 362.773 2.331 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3C[C@@H]3C(F)F)c2)n1 ZINC000511354572 561866382 /nfs/dbraw/zinc/86/63/82/561866382.db2.gz ZMGAUMNKLZJHKC-RYUDHWBXSA-N -1 1 364.352 2.166 20 0 FEADMM CO[C@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2ncccc2[O-])C1 ZINC000362703027 554981801 /nfs/dbraw/zinc/98/18/01/554981801.db2.gz FFJSLOIKTOPNJE-DZGCQCFKSA-N -1 1 365.393 2.175 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1ccc(Cl)nc1 ZINC000363374560 555088812 /nfs/dbraw/zinc/08/88/12/555088812.db2.gz AGVKZBCEZCFRID-UHFFFAOYSA-N -1 1 369.812 2.460 20 0 FEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000363941802 555218571 /nfs/dbraw/zinc/21/85/71/555218571.db2.gz YEOIKJBBEUROES-NSHDSACASA-N -1 1 355.320 2.113 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000363945738 555219524 /nfs/dbraw/zinc/21/95/24/555219524.db2.gz ASJIMTODOSUZJC-SNVBAGLBSA-N -1 1 362.238 2.447 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1OC ZINC000364041210 555238849 /nfs/dbraw/zinc/23/88/49/555238849.db2.gz XBRJJYBXTXOFDQ-UHFFFAOYSA-N -1 1 360.395 2.290 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)sc1C(=O)[O-] ZINC000364124052 555254667 /nfs/dbraw/zinc/25/46/67/555254667.db2.gz XVTMTQLPXWWXEM-CYBMUJFWSA-N -1 1 372.512 2.394 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1C ZINC000364124926 555254841 /nfs/dbraw/zinc/25/48/41/555254841.db2.gz RNJKIAKYVRLPRV-OAHLLOKOSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1C ZINC000364124925 555254856 /nfs/dbraw/zinc/25/48/56/555254856.db2.gz RNJKIAKYVRLPRV-HNNXBMFYSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1Br ZINC000616004253 555262486 /nfs/dbraw/zinc/26/24/86/555262486.db2.gz XEPTYYXWRKIVDF-VIFPVBQESA-N -1 1 365.235 2.151 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2ccc(N3CCCC3)nn2)c1Br ZINC000616010303 555263197 /nfs/dbraw/zinc/26/31/97/555263197.db2.gz KDYXKZWZLLSEMJ-UHFFFAOYSA-N -1 1 351.208 2.123 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1Br ZINC000616012240 555263340 /nfs/dbraw/zinc/26/33/40/555263340.db2.gz HYSTWTKRIBGNEK-VIFPVBQESA-N -1 1 367.203 2.061 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000616334062 555292710 /nfs/dbraw/zinc/29/27/10/555292710.db2.gz NABJTUVHAANMCB-UHFFFAOYSA-N -1 1 350.382 2.334 20 0 FEADMM O=C(N=c1[nH][nH]cc1C1CC1)c1cc(C(=O)Nc2n[nH]cc2C2CC2)[n-]n1 ZINC000616463440 555308565 /nfs/dbraw/zinc/30/85/65/555308565.db2.gz YKBMGDAENYCRKE-UHFFFAOYSA-N -1 1 366.385 2.115 20 0 FEADMM C[C@H]1CCOCCN1C(=O)c1cc(I)ccc1[O-] ZINC000364506948 555325880 /nfs/dbraw/zinc/32/58/80/555325880.db2.gz SMPKKHQEWVMGIR-VIFPVBQESA-N -1 1 361.179 2.248 20 0 FEADMM C[C@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000364647594 555362400 /nfs/dbraw/zinc/36/24/00/555362400.db2.gz SGQRJGIVYZCUDR-ZWNOBZJWSA-N -1 1 369.347 2.312 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)cc(Cl)c1[O-] ZINC000364762729 555395904 /nfs/dbraw/zinc/39/59/04/555395904.db2.gz SCCIWQVQJYCKMD-APPDUMDISA-N -1 1 355.818 2.464 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)c1 ZINC000365064301 555476954 /nfs/dbraw/zinc/47/69/54/555476954.db2.gz OMADFJAEPZJKOR-CYBMUJFWSA-N -1 1 351.380 2.177 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000365328787 555544001 /nfs/dbraw/zinc/54/40/01/555544001.db2.gz ULCRETJWYBMTQI-AWEZNQCLSA-N -1 1 374.485 2.051 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4cnco4)cc3)cc21 ZINC000365372042 555556655 /nfs/dbraw/zinc/55/66/55/555556655.db2.gz KSYWQJLBSQTIPJ-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM COc1ccnc(N2CCC(C(=O)Nc3nc(Cl)ccc3[O-])CC2)n1 ZINC000365505960 555593504 /nfs/dbraw/zinc/59/35/04/555593504.db2.gz RMYQHZIMZBDEJB-UHFFFAOYSA-N -1 1 363.805 2.094 20 0 FEADMM CS(=O)(=O)C1(CNC(=O)c2csc(=NC3CC3)[n-]2)CCCCC1 ZINC000618485284 555641304 /nfs/dbraw/zinc/64/13/04/555641304.db2.gz LKGIHWUTCINBQW-UHFFFAOYSA-N -1 1 357.501 2.195 20 0 FEADMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1c[n-]c3c(cnn3C)c1=O)C2 ZINC000365778490 555665768 /nfs/dbraw/zinc/66/57/68/555665768.db2.gz ADDDOEUVGMQCMC-UHFFFAOYSA-N -1 1 364.405 2.370 20 0 FEADMM O=C(N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1[O-] ZINC000365859399 555685337 /nfs/dbraw/zinc/68/53/37/555685337.db2.gz FWULHUBQKXNDGK-CYBMUJFWSA-N -1 1 360.389 2.186 20 0 FEADMM CC(C)(C)C[C@@H](O)CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000365888268 555692980 /nfs/dbraw/zinc/69/29/80/555692980.db2.gz ATWRPUYNONOMOC-IINYFYTJSA-N -1 1 369.828 2.385 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1=O ZINC000513541283 561942248 /nfs/dbraw/zinc/94/22/48/561942248.db2.gz PPUHVYTTWDIEEQ-WFASDCNBSA-N -1 1 357.385 2.408 20 0 FEADMM COC(=O)c1cscc1[N-]S(=O)(=O)CC[C@@H]1CCCCN1C(C)=O ZINC000366299406 555805554 /nfs/dbraw/zinc/80/55/54/555805554.db2.gz CKCFCXKLGKMKHA-LBPRGKRZSA-N -1 1 374.484 2.068 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000513792849 561950041 /nfs/dbraw/zinc/95/00/41/561950041.db2.gz NCZASBKZHOONJE-SECBINFHSA-N -1 1 357.359 2.253 20 0 FEADMM CN1C[C@H](C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CC1=O ZINC000620205985 555906943 /nfs/dbraw/zinc/90/69/43/555906943.db2.gz XQWVDZUEUUOOLU-SSDOTTSWSA-N -1 1 369.244 2.318 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@@H](CN=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000367340114 556022534 /nfs/dbraw/zinc/02/25/34/556022534.db2.gz TUTLWESQWSLFRT-LBPRGKRZSA-N -1 1 370.400 2.482 20 0 FEADMM O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000367350360 556025061 /nfs/dbraw/zinc/02/50/61/556025061.db2.gz UWAIXYPFYBUFQH-UHFFFAOYSA-N -1 1 361.279 2.404 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1c1ccc3c(c1)OCO3)c2=O ZINC000367524466 556073048 /nfs/dbraw/zinc/07/30/48/556073048.db2.gz MRCJHPBRCHUOME-AWEZNQCLSA-N -1 1 366.377 2.380 20 0 FEADMM Cc1nnc(SCCC(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)[nH]1 ZINC000514799770 561980420 /nfs/dbraw/zinc/98/04/20/561980420.db2.gz YNCYEOBEBMGWOR-UHFFFAOYSA-N -1 1 359.415 2.033 20 0 FEADMM CC[C@@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)N(C)Cc1ccccc1 ZINC000514861405 561983877 /nfs/dbraw/zinc/98/38/77/561983877.db2.gz FMJZYTIJDSJEPB-SFHVURJKSA-N -1 1 362.470 2.379 20 0 FEADMM CCCc1nccnc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000622964639 556307577 /nfs/dbraw/zinc/30/75/77/556307577.db2.gz FOXHOEVMGXGBCD-UHFFFAOYSA-N -1 1 366.443 2.351 20 0 FEADMM O=C(Cc1ccccn1)N1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000368511139 556331705 /nfs/dbraw/zinc/33/17/05/556331705.db2.gz WTOAVVDRHUWOIB-UHFFFAOYSA-N -1 1 373.840 2.358 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1csc(-c2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000368518361 556333775 /nfs/dbraw/zinc/33/37/75/556333775.db2.gz INDXSQPBPVGKKO-SNVBAGLBSA-N -1 1 360.418 2.267 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000368947531 556456410 /nfs/dbraw/zinc/45/64/10/556456410.db2.gz WFADDWYKAAOTDR-KRWDZBQOSA-N -1 1 371.418 2.381 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000515720182 562020238 /nfs/dbraw/zinc/02/02/38/562020238.db2.gz CPGWJVWKQGWMHT-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C2 ZINC000369032412 556482935 /nfs/dbraw/zinc/48/29/35/556482935.db2.gz KBLXYAQWERWASS-JTQLQIEISA-N -1 1 357.357 2.038 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3cc(Cl)cc4c3OCC4)ccnc1-2 ZINC000806489269 674378747 /nfs/dbraw/zinc/37/87/47/674378747.db2.gz XLINMOLWLXCNIO-UHFFFAOYSA-N -1 1 357.801 2.252 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(C(C)=O)[nH]2)n[n-]1 ZINC000516190046 562035133 /nfs/dbraw/zinc/03/51/33/562035133.db2.gz GEJRMYUUNJLTSO-CYBMUJFWSA-N -1 1 361.402 2.029 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(C(C)=O)[nH]2)[n-]1 ZINC000516190046 562035134 /nfs/dbraw/zinc/03/51/34/562035134.db2.gz GEJRMYUUNJLTSO-CYBMUJFWSA-N -1 1 361.402 2.029 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(C(C)=O)[nH]2)n1 ZINC000516190046 562035135 /nfs/dbraw/zinc/03/51/35/562035135.db2.gz GEJRMYUUNJLTSO-CYBMUJFWSA-N -1 1 361.402 2.029 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(N3CCCC3)nc2)[n-]c1=O ZINC000516379748 562041230 /nfs/dbraw/zinc/04/12/30/562041230.db2.gz PUGDNNPODRQDSV-XYOKQWHBSA-N -1 1 355.398 2.310 20 0 FEADMM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cscn2)nc1C ZINC000516566565 562048424 /nfs/dbraw/zinc/04/84/24/562048424.db2.gz FJRCRCMSASWHIC-QMMMGPOBSA-N -1 1 361.470 2.124 20 0 FEADMM COc1ccc([C@H]2[C@@H](C(=O)[N-]OCC(F)(F)F)CCC(=O)N2C)cc1 ZINC000370134877 556790440 /nfs/dbraw/zinc/79/04/40/556790440.db2.gz XRSHTHFZGNCCID-JSGCOSHPSA-N -1 1 360.332 2.215 20 0 FEADMM C[N@H+]1CC[C@@H]2CN(C(=O)N=c3nc(-c4ccccc4Cl)[n-]s3)C[C@@H]21 ZINC000516625450 562051380 /nfs/dbraw/zinc/05/13/80/562051380.db2.gz CPHFNYVFKUBQIG-MFKMUULPSA-N -1 1 363.874 2.448 20 0 FEADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)C[C@@H](OC)C3CC3)cc2)o1 ZINC000516650436 562052756 /nfs/dbraw/zinc/05/27/56/562052756.db2.gz NGOYWXDLECDEJM-CQSZACIVSA-N -1 1 351.428 2.466 20 0 FEADMM CO[C@H]1CCC[C@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370422447 556868249 /nfs/dbraw/zinc/86/82/49/556868249.db2.gz FPVVOVHKHJJYRR-CVEARBPZSA-N -1 1 356.426 2.169 20 0 FEADMM COCc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000370491528 556889051 /nfs/dbraw/zinc/88/90/51/556889051.db2.gz MCYXLIOURLCMNW-UHFFFAOYSA-N -1 1 364.405 2.468 20 0 FEADMM O=C(c1cccc(Oc2ccccc2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370852004 556990386 /nfs/dbraw/zinc/99/03/86/556990386.db2.gz CASFDNYEROGBTF-MRXNPFEDSA-N -1 1 351.366 2.206 20 0 FEADMM CCCCCCOc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370857476 556992532 /nfs/dbraw/zinc/99/25/32/556992532.db2.gz OFXKIBUJCLVBQJ-INIZCTEOSA-N -1 1 359.430 2.373 20 0 FEADMM O=C(c1cc(F)ccc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000371027036 557050431 /nfs/dbraw/zinc/05/04/31/557050431.db2.gz YTKUPSDKHHWACK-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2coc3ccccc23)c1 ZINC000517269397 562083571 /nfs/dbraw/zinc/08/35/71/562083571.db2.gz HUUGXPDQJPUUDN-UHFFFAOYSA-N -1 1 360.391 2.228 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000517941801 562101189 /nfs/dbraw/zinc/10/11/89/562101189.db2.gz BCSPZUGGUBLXSU-SUZMYJTESA-N -1 1 368.455 2.213 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc2c(cn1)OCCC2 ZINC000371744344 557281249 /nfs/dbraw/zinc/28/12/49/557281249.db2.gz RNBSMUOXGMACNP-UHFFFAOYSA-N -1 1 365.386 2.170 20 0 FEADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000518024928 562102758 /nfs/dbraw/zinc/10/27/58/562102758.db2.gz DCYPPKZFLGSTDA-UHFFFAOYSA-N -1 1 360.391 2.158 20 0 FEADMM CCN(CC)[C@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccco1 ZINC000518352078 562109379 /nfs/dbraw/zinc/10/93/79/562109379.db2.gz QJPGCGVPDOQEHJ-OAHLLOKOSA-N -1 1 370.409 2.436 20 0 FEADMM CCCc1c([N-]S(=O)(=O)C[C@@H]2CCCO2)cnn1-c1cc(C)ccn1 ZINC000371900197 557324814 /nfs/dbraw/zinc/32/48/14/557324814.db2.gz VYNAENGFDIXOBU-AWEZNQCLSA-N -1 1 364.471 2.449 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2ccc(O)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000372031647 557361772 /nfs/dbraw/zinc/36/17/72/557361772.db2.gz COMTWPLNHHRROK-DYVFJYSZSA-N -1 1 352.862 2.157 20 0 FEADMM CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc12 ZINC000372369057 557451957 /nfs/dbraw/zinc/45/19/57/557451957.db2.gz XNSCDEKROKEQHO-SNVBAGLBSA-N -1 1 359.459 2.291 20 0 FEADMM COc1cc(OC)c2ncc(C(=O)[O-])c(N3CC[C@@H](c4nc[nH]n4)C3)c2c1 ZINC000519605014 562136742 /nfs/dbraw/zinc/13/67/42/562136742.db2.gz KRBYNTKXFFXWJA-SNVBAGLBSA-N -1 1 369.381 2.062 20 0 FEADMM Cn1ccnc1-c1nnc(NC(=O)c2c([O-])cnc3ccccc32)s1 ZINC000373088978 557625872 /nfs/dbraw/zinc/62/58/72/557625872.db2.gz FHNQXYSLVMFUBA-UHFFFAOYSA-N -1 1 352.379 2.445 20 0 FEADMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)c1 ZINC000373136571 557636206 /nfs/dbraw/zinc/63/62/06/557636206.db2.gz CFBUTHAVLMYJAH-UHFFFAOYSA-N -1 1 372.406 2.200 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000519993731 562148479 /nfs/dbraw/zinc/14/84/79/562148479.db2.gz KOGWPHFYADJLHT-UHFFFAOYSA-N -1 1 373.390 2.380 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)cc1OC ZINC000520017767 562148565 /nfs/dbraw/zinc/14/85/65/562148565.db2.gz MIJGLSUTRNJGHJ-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM CCNC(=O)Nc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000520037489 562148682 /nfs/dbraw/zinc/14/86/82/562148682.db2.gz FFYFQSMVWHNBRQ-UHFFFAOYSA-N -1 1 369.424 2.389 20 0 FEADMM CCc1nc(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)[n-]c(=O)c1C ZINC000520430071 562156339 /nfs/dbraw/zinc/15/63/39/562156339.db2.gz YWIVCCAPGQDJJZ-MRXNPFEDSA-N -1 1 373.478 2.462 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)co1 ZINC000373695125 557740208 /nfs/dbraw/zinc/74/02/08/557740208.db2.gz LGQPVUQKAMFVQC-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373826898 557768163 /nfs/dbraw/zinc/76/81/63/557768163.db2.gz ZJAJDOWFWOSHLC-KRWDZBQOSA-N -1 1 367.471 2.013 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2oc(-c3cnn(C)c3)nc2C)c1 ZINC000374477281 557889053 /nfs/dbraw/zinc/88/90/53/557889053.db2.gz AYQKYFSDSRIRNV-UHFFFAOYSA-N -1 1 356.338 2.128 20 0 FEADMM O=C(CN1CCC[C@](CO)(c2ccccc2)C1)[N-]OCc1ccccc1 ZINC000374566355 557900502 /nfs/dbraw/zinc/90/05/02/557900502.db2.gz ONJGBZJBQGRWKQ-NRFANRHFSA-N -1 1 354.450 2.261 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3cccc(F)c32)o1 ZINC000374659388 557913091 /nfs/dbraw/zinc/91/30/91/557913091.db2.gz DDJQLEZOTCKJJL-SNVBAGLBSA-N -1 1 355.343 2.007 20 0 FEADMM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c(O)c1 ZINC000375026889 557966608 /nfs/dbraw/zinc/96/66/08/557966608.db2.gz GPPGGWJQAKHICX-UHFFFAOYSA-N -1 1 355.325 2.140 20 0 FEADMM CCc1oc(C(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1C(=O)[O-] ZINC000375027112 557966640 /nfs/dbraw/zinc/96/66/40/557966640.db2.gz JOPZNXKGTGRGNA-HNNXBMFYSA-N -1 1 354.366 2.486 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ncccc1N1CCOCC1 ZINC000375068210 557972958 /nfs/dbraw/zinc/97/29/58/557972958.db2.gz BBRDTQZVSVHQSW-UHFFFAOYSA-N -1 1 369.393 2.138 20 0 FEADMM O=C(CC1(CSc2ccccc2)CC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000375232657 557995929 /nfs/dbraw/zinc/99/59/29/557995929.db2.gz CXJMQZAQRFPGOH-AWEZNQCLSA-N -1 1 359.455 2.062 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3csc(C)c3)C2)o1 ZINC000375375311 558017458 /nfs/dbraw/zinc/01/74/58/558017458.db2.gz FJFXMCODUXAJHL-NSHDSACASA-N -1 1 354.453 2.187 20 0 FEADMM COc1ccccc1S(=O)(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000375605834 558056035 /nfs/dbraw/zinc/05/60/35/558056035.db2.gz FMOWMPFBMVLOII-UHFFFAOYSA-N -1 1 360.395 2.295 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)o1 ZINC000375618198 558057977 /nfs/dbraw/zinc/05/79/77/558057977.db2.gz RQSLGVHNHMUIPW-UHFFFAOYSA-N -1 1 364.423 2.252 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)NCc1ccc(-c2ccco2)cc1F ZINC000521687371 562182200 /nfs/dbraw/zinc/18/22/00/562182200.db2.gz NGTDGQZNQFMTPL-UHFFFAOYSA-N -1 1 351.359 2.443 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(-c2ccco2)cc1F ZINC000521687371 562182201 /nfs/dbraw/zinc/18/22/01/562182201.db2.gz NGTDGQZNQFMTPL-UHFFFAOYSA-N -1 1 351.359 2.443 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3C[C@H](C)O[C@]4(CCCOC4)C3)c2=O)[nH+]1 ZINC000376444798 558174010 /nfs/dbraw/zinc/17/40/10/558174010.db2.gz WTYFSONVRFODRQ-ORAYPTAESA-N -1 1 357.410 2.054 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@]4(CCCOC4)C3)cnc2n1 ZINC000376444798 558174012 /nfs/dbraw/zinc/17/40/12/558174012.db2.gz WTYFSONVRFODRQ-ORAYPTAESA-N -1 1 357.410 2.054 20 0 FEADMM O=C1C[C@H](CN=c2nc(C(F)(F)F)[n-]s2)CN1CCc1ccccc1 ZINC000376451388 558174975 /nfs/dbraw/zinc/17/49/75/558174975.db2.gz VKOMVRRHCDFPOJ-GFCCVEGCSA-N -1 1 370.400 2.482 20 0 FEADMM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000376475427 558178050 /nfs/dbraw/zinc/17/80/50/558178050.db2.gz UEMDACQHFKSXKC-ZIAGYGMSSA-N -1 1 366.389 2.041 20 0 FEADMM CCC[C@H](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000522169805 562193097 /nfs/dbraw/zinc/19/30/97/562193097.db2.gz RVWRQPGMACRSDQ-ZDUSSCGKSA-N -1 1 370.471 2.178 20 0 FEADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000522513094 562199436 /nfs/dbraw/zinc/19/94/36/562199436.db2.gz BUUBHMMETNUYKX-UHFFFAOYSA-N -1 1 367.448 2.235 20 0 FEADMM COc1ccccc1C1(F)CCN(S(=O)(=O)c2c(C)o[n-]c2=N)CC1 ZINC000377886156 558441793 /nfs/dbraw/zinc/44/17/93/558441793.db2.gz YXJWFFHLJJJZBG-UHFFFAOYSA-N -1 1 369.418 2.223 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@](CO)(C(C)C)C2)c(=O)[n-]1 ZINC000377979147 558456899 /nfs/dbraw/zinc/45/68/99/558456899.db2.gz ZYLGNZUFFMSEDO-KRWDZBQOSA-N -1 1 353.488 2.012 20 0 FEADMM COC[C@]1(CN=c2[n-]c(C(=O)OC)c(C)s2)OCCc2ccccc21 ZINC000378049682 558469877 /nfs/dbraw/zinc/46/98/77/558469877.db2.gz ALAWDWNHPTWRPT-SFHVURJKSA-N -1 1 362.451 2.765 20 0 FEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(O)c1 ZINC000522960815 562206502 /nfs/dbraw/zinc/20/65/02/562206502.db2.gz YBIQLBJZHNAFRM-UHFFFAOYSA-N -1 1 365.363 2.068 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000378074926 558474951 /nfs/dbraw/zinc/47/49/51/558474951.db2.gz JWMCPZPUFFPLET-WBVHZDCISA-N -1 1 352.438 2.474 20 0 FEADMM Cc1ccnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)n1 ZINC000523730489 562218573 /nfs/dbraw/zinc/21/85/73/562218573.db2.gz XWFUJFAFZVRUFO-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000523727809 562218666 /nfs/dbraw/zinc/21/86/66/562218666.db2.gz NYZUZNYQCJAVOC-UHFFFAOYSA-N -1 1 374.418 2.183 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CC(C)(C)CC(C)(C)C1 ZINC000392520359 558617930 /nfs/dbraw/zinc/61/79/30/558617930.db2.gz ZMQSRWJUBQWPAK-UHFFFAOYSA-N -1 1 357.476 2.470 20 0 FEADMM O=C(NCC1=CCOCC1)c1ccc(I)c([O-])c1 ZINC000397695823 558624962 /nfs/dbraw/zinc/62/49/62/558624962.db2.gz DZCABQNUVINUQR-UHFFFAOYSA-N -1 1 359.163 2.073 20 0 FEADMM O=C(NCCC1(O)CCC1)c1ccc(I)c([O-])c1 ZINC000398273151 558626160 /nfs/dbraw/zinc/62/61/60/558626160.db2.gz HLROHZLKSQYUSG-UHFFFAOYSA-N -1 1 361.179 2.032 20 0 FEADMM O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408197951 558655911 /nfs/dbraw/zinc/65/59/11/558655911.db2.gz KQIXUKPEEAWOHK-GFCCVEGCSA-N -1 1 358.398 2.165 20 0 FEADMM COc1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc(Cl)c1[O-] ZINC000408265549 558662623 /nfs/dbraw/zinc/66/26/23/558662623.db2.gz LFFUQIOLNZYCMI-PSVSLLHZSA-N -1 1 355.818 2.463 20 0 FEADMM COc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc(Cl)c1[O-] ZINC000408265550 558662678 /nfs/dbraw/zinc/66/26/78/558662678.db2.gz LFFUQIOLNZYCMI-RVPKQNPDSA-N -1 1 355.818 2.463 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@](O)(C(F)(F)F)C3)cnc2n1 ZINC000408331549 558667080 /nfs/dbraw/zinc/66/70/80/558667080.db2.gz YDUPDBBUDDIIHV-HNNXBMFYSA-N -1 1 355.316 2.173 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@](O)(C(F)(F)F)C3)c[n-]c2n1 ZINC000408331549 558667081 /nfs/dbraw/zinc/66/70/81/558667081.db2.gz YDUPDBBUDDIIHV-HNNXBMFYSA-N -1 1 355.316 2.173 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCS1 ZINC000408372663 558671475 /nfs/dbraw/zinc/67/14/75/558671475.db2.gz IYEJLMTWJCFNBG-LLVKDONJSA-N -1 1 360.501 2.324 20 0 FEADMM CO[C@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cnn(C)c1 ZINC000409863601 558723614 /nfs/dbraw/zinc/72/36/14/558723614.db2.gz CPBGCJVFXUODMY-ZDUSSCGKSA-N -1 1 351.819 2.851 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000410281230 558749962 /nfs/dbraw/zinc/74/99/62/558749962.db2.gz GKEMYAPVJAWQHF-LBPRGKRZSA-N -1 1 352.394 2.637 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(Br)c(Cl)c1 ZINC000410306020 558750936 /nfs/dbraw/zinc/75/09/36/558750936.db2.gz WKDIOXCKOOJLRW-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c1C ZINC000410417490 558756472 /nfs/dbraw/zinc/75/64/72/558756472.db2.gz KWGPBUYEXUNPEB-UHFFFAOYSA-N -1 1 374.418 2.319 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000524971233 562238752 /nfs/dbraw/zinc/23/87/52/562238752.db2.gz ICSRKZWDCRWWQD-ZDUSSCGKSA-N -1 1 368.437 2.004 20 0 FEADMM COc1cc(NC(=O)NCC2CCSCC2)ccc1[N-]S(C)(=O)=O ZINC000525416168 562247843 /nfs/dbraw/zinc/24/78/43/562247843.db2.gz GGIBROSHGMREST-UHFFFAOYSA-N -1 1 373.500 2.331 20 0 FEADMM O=c1[n-]nc(C2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)o1 ZINC000411689558 558945060 /nfs/dbraw/zinc/94/50/60/558945060.db2.gz CYPCXDRNZBDDGG-UHFFFAOYSA-N -1 1 361.789 2.457 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2F)cc1[N-]S(C)(=O)=O ZINC000413787932 559130292 /nfs/dbraw/zinc/13/02/92/559130292.db2.gz UIBOAIJNJBKVON-VXGBXAGGSA-N -1 1 359.423 2.469 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C)cnc2OC(C)C)CC1 ZINC000414388335 559160734 /nfs/dbraw/zinc/16/07/34/559160734.db2.gz YUHWMENCPKMPMJ-UHFFFAOYSA-N -1 1 356.444 2.405 20 0 FEADMM COC(=O)[C@H](C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000414391746 559160868 /nfs/dbraw/zinc/16/08/68/559160868.db2.gz CAGUPOZPHFGMNY-SECBINFHSA-N -1 1 367.379 2.364 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(c3ccncc3)CCCC2)c1 ZINC000414454331 559164818 /nfs/dbraw/zinc/16/48/18/559164818.db2.gz AXISAFVLGOECBY-UHFFFAOYSA-N -1 1 364.423 2.252 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)c1 ZINC000414465902 559166454 /nfs/dbraw/zinc/16/64/54/559166454.db2.gz AMPKSKGPZNFTLN-UHFFFAOYSA-N -1 1 360.233 2.428 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](CC(C)C)OC)c2)n1 ZINC000415548777 559248428 /nfs/dbraw/zinc/24/84/28/559248428.db2.gz ARFHKBOHTPSYRJ-HNNXBMFYSA-N -1 1 374.441 2.326 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)n1 ZINC000415654944 559258570 /nfs/dbraw/zinc/25/85/70/559258570.db2.gz YYVJEYNSQSUOHO-ZDUSSCGKSA-N -1 1 350.806 2.481 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000416134361 559293637 /nfs/dbraw/zinc/29/36/37/559293637.db2.gz OIPSZERODAXLGG-ZETCQYMHSA-N -1 1 357.288 2.406 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000416218437 559299323 /nfs/dbraw/zinc/29/93/23/559299323.db2.gz VDZFPSHDCRXFMA-QMMMGPOBSA-N -1 1 371.315 2.449 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccc(C)o1 ZINC000416412451 559311096 /nfs/dbraw/zinc/31/10/96/559311096.db2.gz CXGORTUMTJDLGV-YPMHNXCESA-N -1 1 353.444 2.348 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)c1 ZINC000416543747 559320727 /nfs/dbraw/zinc/32/07/27/559320727.db2.gz YQQXJDLKVKLNDA-MRVPVSSYSA-N -1 1 356.425 2.051 20 0 FEADMM COc1ccc(Br)cc1[C@@H](NCc1c(C)cnn1C)C(=O)[O-] ZINC000417562388 559367044 /nfs/dbraw/zinc/36/70/44/559367044.db2.gz MIQSMZRSGANYMK-CQSZACIVSA-N -1 1 368.231 2.415 20 0 FEADMM O=C([O-])[C@@H]1CC(=O)N(CCNCc2cc(Cl)ccc2OCC2CC2)C1 ZINC000417623460 559369404 /nfs/dbraw/zinc/36/94/04/559369404.db2.gz JTPXMYGHRSUTAR-CQSZACIVSA-N -1 1 366.845 2.152 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000421147190 559526567 /nfs/dbraw/zinc/52/65/67/559526567.db2.gz DGILZWRDMUXLFY-NSHDSACASA-N -1 1 356.423 2.414 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1F ZINC000421146845 559526656 /nfs/dbraw/zinc/52/66/56/559526656.db2.gz CQPDLSNFFJNJRZ-ZDUSSCGKSA-N -1 1 373.450 2.158 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(F)c(S(C)(=O)=O)c1 ZINC000421147786 559526700 /nfs/dbraw/zinc/52/67/00/559526700.db2.gz FQDDQAZCDDLTQK-GFCCVEGCSA-N -1 1 367.464 2.032 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CC2)c1)OC ZINC000421157557 559527463 /nfs/dbraw/zinc/52/74/63/559527463.db2.gz RVGSSDCJJDWOOF-LBPRGKRZSA-N -1 1 360.863 2.399 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)cc(Cl)c1[O-] ZINC000421919339 559556600 /nfs/dbraw/zinc/55/66/00/559556600.db2.gz LXYDJMOJBASHPN-XYPYZODXSA-N -1 1 354.834 2.466 20 0 FEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000421995534 559559564 /nfs/dbraw/zinc/55/95/64/559559564.db2.gz UQJXVZYNJIMRSP-RYUDHWBXSA-N -1 1 374.441 2.114 20 0 FEADMM Cc1c([N-]S(=O)(=O)CCOCC2CC2)cnn1-c1ccccc1F ZINC000424061223 559653068 /nfs/dbraw/zinc/65/30/68/559653068.db2.gz IKAOZWNPAWURMF-UHFFFAOYSA-N -1 1 353.419 2.488 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)n[n-]1 ZINC000424202740 559657525 /nfs/dbraw/zinc/65/75/25/559657525.db2.gz ICZBILBJMYJDTI-SNVBAGLBSA-N -1 1 370.862 2.438 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)[C@H]1C(=O)[O-] ZINC000424365693 559662059 /nfs/dbraw/zinc/66/20/59/559662059.db2.gz HMAWKXUVOKOQPW-PRHODGIISA-N -1 1 367.345 2.285 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3CCC[C@@H](F)C3)CC2)n1 ZINC000424806807 559677273 /nfs/dbraw/zinc/67/72/73/559677273.db2.gz IMJIWTBIVOUCOI-CHWSQXEVSA-N -1 1 352.410 2.216 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCN(C)CC(F)(F)F)c(F)c1 ZINC000425147477 559688706 /nfs/dbraw/zinc/68/87/06/559688706.db2.gz YQBYQHNQOVCRGA-UHFFFAOYSA-N -1 1 360.348 2.436 20 0 FEADMM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1cc(Cl)c(Br)cc1F ZINC000425201558 559690898 /nfs/dbraw/zinc/69/08/98/559690898.db2.gz AOJKMACHJSVBDE-RKDXNWHRSA-N -1 1 358.616 2.043 20 0 FEADMM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1c(Cl)cc(F)cc1Br ZINC000425209868 559691368 /nfs/dbraw/zinc/69/13/68/559691368.db2.gz SLFZOGKDRXNOJI-RKDXNWHRSA-N -1 1 358.616 2.043 20 0 FEADMM CNC(=O)CC1CCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425235154 559692798 /nfs/dbraw/zinc/69/27/98/559692798.db2.gz OTOSRFVAAGRMBZ-OAHLLOKOSA-N -1 1 353.470 3.002 20 0 FEADMM COC[C@@]1(C(=O)OC)CCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000425266228 559694234 /nfs/dbraw/zinc/69/42/34/559694234.db2.gz HIZOKIPSGFWIEX-FOIQADDNSA-N -1 1 370.453 2.666 20 0 FEADMM C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425298842 559695353 /nfs/dbraw/zinc/69/53/53/559695353.db2.gz JWBDQDSSZDMZSM-GXTWGEPZSA-N -1 1 368.393 2.497 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)cn1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425303934 559695605 /nfs/dbraw/zinc/69/56/05/559695605.db2.gz PLPDHTZDNUDLQX-VIFPVBQESA-N -1 1 372.303 2.131 20 0 FEADMM O=C(CCOCC(F)(F)C(F)(F)F)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425305191 559695794 /nfs/dbraw/zinc/69/57/94/559695794.db2.gz QVTQVQBBKGXKFO-QMMMGPOBSA-N -1 1 373.278 2.086 20 0 FEADMM COc1ccc(C(=O)C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1Cl ZINC000425314811 559696295 /nfs/dbraw/zinc/69/62/95/559696295.db2.gz AACGNMNCAHXWHQ-UHFFFAOYSA-N -1 1 365.773 2.026 20 0 FEADMM C[C@H]1[C@@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CCN1c1ccccc1 ZINC000425327071 559697013 /nfs/dbraw/zinc/69/70/13/559697013.db2.gz VFJICCHFUSLFJV-BBRMVZONSA-N -1 1 356.426 2.396 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cnc1C ZINC000427146059 559749083 /nfs/dbraw/zinc/74/90/83/559749083.db2.gz UOMGZUVZGIUMCP-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000427823312 559763568 /nfs/dbraw/zinc/76/35/68/559763568.db2.gz FPHGPTYJRQYYDN-UHFFFAOYSA-N -1 1 371.359 2.289 20 0 FEADMM COc1cc(NC(=O)CCc2cncc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000428117376 559769920 /nfs/dbraw/zinc/76/99/20/559769920.db2.gz HRAAJAVIPKJFRS-UHFFFAOYSA-N -1 1 363.439 2.341 20 0 FEADMM Cc1cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)ccc1Oc1ccncc1 ZINC000428210001 559771499 /nfs/dbraw/zinc/77/14/99/559771499.db2.gz RXETUHPAQBZWNJ-UHFFFAOYSA-N -1 1 362.349 2.166 20 0 FEADMM COc1ccc(Cn2ccc(=NC(=O)c3csc(=NC4CC4)[n-]3)[nH]2)cc1 ZINC000428486723 559776508 /nfs/dbraw/zinc/77/65/08/559776508.db2.gz DIJULRXYICWRHG-UHFFFAOYSA-N -1 1 369.450 2.067 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@@H]1CCO ZINC000428628633 559780022 /nfs/dbraw/zinc/78/00/22/559780022.db2.gz KLUJGVXZPIDGQG-QGZVFWFLSA-N -1 1 374.462 2.474 20 0 FEADMM COC(=O)c1cnccc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000430061710 559812257 /nfs/dbraw/zinc/81/22/57/559812257.db2.gz YEWWJVFATOTRSK-UHFFFAOYSA-N -1 1 374.340 2.251 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000430344389 559818161 /nfs/dbraw/zinc/81/81/61/559818161.db2.gz OLTZPDQRMMQATL-UHFFFAOYSA-N -1 1 351.395 2.224 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)nn3c2)c(C)c1F ZINC000430370316 559818812 /nfs/dbraw/zinc/81/88/12/559818812.db2.gz SFOMCJYWJPXOFO-UHFFFAOYSA-N -1 1 350.375 2.295 20 0 FEADMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2s1 ZINC000430981703 559831904 /nfs/dbraw/zinc/83/19/04/559831904.db2.gz XQUHRXBPLPCUJJ-UHFFFAOYSA-N -1 1 363.420 2.205 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)c(OC)c2)cc1 ZINC000431173041 559835411 /nfs/dbraw/zinc/83/54/11/559835411.db2.gz NMYHWPXCLHICQL-UHFFFAOYSA-N -1 1 364.423 2.173 20 0 FEADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cn[nH]n1 ZINC000431453251 559839538 /nfs/dbraw/zinc/83/95/38/559839538.db2.gz SBQWGCGTBLPUGH-UHFFFAOYSA-N -1 1 361.981 2.288 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4)nc3)ccc2[nH]1 ZINC000432366339 559857532 /nfs/dbraw/zinc/85/75/32/559857532.db2.gz AIVGQZAGOMDSIK-UHFFFAOYSA-N -1 1 370.434 2.324 20 0 FEADMM COC(=O)c1c[n-]c(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)n1 ZINC000432657857 559862687 /nfs/dbraw/zinc/86/26/87/559862687.db2.gz MMKLXMIFEKDRFX-UHFFFAOYSA-N -1 1 371.426 2.308 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCc2cccc(OC(C)C)c2)n1 ZINC000432668069 559862808 /nfs/dbraw/zinc/86/28/08/559862808.db2.gz VOCHHUXIUOOVQX-UHFFFAOYSA-N -1 1 363.439 2.392 20 0 FEADMM CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2csc(=NC3CC3)[n-]2)cn1 ZINC000432758537 559864031 /nfs/dbraw/zinc/86/40/31/559864031.db2.gz ODMRRRDSUWHHQG-DZGCQCFKSA-N -1 1 361.471 2.584 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)sc1C ZINC000433783457 559887692 /nfs/dbraw/zinc/88/76/92/559887692.db2.gz OJGIJGUMRDHQQY-ILXRZTDVSA-N -1 1 371.462 2.807 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000435468866 559923762 /nfs/dbraw/zinc/92/37/62/559923762.db2.gz GFWCAJLJJXNZAW-UHFFFAOYSA-N -1 1 372.462 2.233 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(-c4nc[nH]n4)cc3F)cc12 ZINC000436473741 559942305 /nfs/dbraw/zinc/94/23/05/559942305.db2.gz BXOFELAAEWBLPT-UHFFFAOYSA-N -1 1 374.357 2.256 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 ZINC000436514970 559943854 /nfs/dbraw/zinc/94/38/54/559943854.db2.gz RBXSHKNKXUWLIW-UHFFFAOYSA-N -1 1 356.334 2.051 20 0 FEADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](C)CS(=O)(=O)CC ZINC000436532821 559944430 /nfs/dbraw/zinc/94/44/30/559944430.db2.gz GWNLHANNAYXWKW-JTQLQIEISA-N -1 1 363.863 2.340 20 0 FEADMM O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)C(=O)c1ccc([O-])cc1 ZINC000436630898 559947203 /nfs/dbraw/zinc/94/72/03/559947203.db2.gz POOCQQATCQVBFS-UHFFFAOYSA-N -1 1 352.346 2.257 20 0 FEADMM O=C(C(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1)c1ccc([O-])cc1 ZINC000436640837 559947360 /nfs/dbraw/zinc/94/73/60/559947360.db2.gz KMIGEAWCZQTHBE-UHFFFAOYSA-N -1 1 362.389 2.347 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000436677128 559948615 /nfs/dbraw/zinc/94/86/15/559948615.db2.gz BHJHJQYGTARWBZ-LLVKDONJSA-N -1 1 373.386 2.359 20 0 FEADMM O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436689911 559948991 /nfs/dbraw/zinc/94/89/91/559948991.db2.gz SPKFQPPXKLFSLF-HNNXBMFYSA-N -1 1 374.393 2.254 20 0 FEADMM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436700517 559949140 /nfs/dbraw/zinc/94/91/40/559949140.db2.gz VSJHJKMGFNYDGU-HNNXBMFYSA-N -1 1 358.781 2.150 20 0 FEADMM COC(=O)c1cc(NC(=O)c2ccc(OC)cc2[O-])cc(C(=O)OC)c1 ZINC000436756416 559951065 /nfs/dbraw/zinc/95/10/65/559951065.db2.gz QJCVFBRKPQMUMF-UHFFFAOYSA-N -1 1 359.334 2.226 20 0 FEADMM Cn1ccnc1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(F)c1 ZINC000436767230 559951382 /nfs/dbraw/zinc/95/13/82/559951382.db2.gz UFGKRZRTGCBLBI-INIZCTEOSA-N -1 1 353.353 2.353 20 0 FEADMM COc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c(OC)n1 ZINC000436819115 559952956 /nfs/dbraw/zinc/95/29/56/559952956.db2.gz CJJBNDJTPFQMHB-UHFFFAOYSA-N -1 1 352.774 2.396 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)ccc1O ZINC000436830147 559953433 /nfs/dbraw/zinc/95/34/33/559953433.db2.gz URJOQMUECVVYMD-UHFFFAOYSA-N -1 1 367.427 2.291 20 0 FEADMM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436878031 559955111 /nfs/dbraw/zinc/95/51/11/559955111.db2.gz BFJHPRFBMZCZID-OAHLLOKOSA-N -1 1 352.390 2.452 20 0 FEADMM O=C(C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1ccc([O-])cc1 ZINC000436906447 559956075 /nfs/dbraw/zinc/95/60/75/559956075.db2.gz QJVTYFMNTTVUOB-UHFFFAOYSA-N -1 1 357.381 2.310 20 0 FEADMM O=C(NCc1ncc[nH]1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436964817 559957695 /nfs/dbraw/zinc/95/76/95/559957695.db2.gz RKRWJMJTTVWOIQ-INIZCTEOSA-N -1 1 364.405 2.190 20 0 FEADMM O=C(NCc1ncc[nH]1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436964818 559957762 /nfs/dbraw/zinc/95/77/62/559957762.db2.gz RKRWJMJTTVWOIQ-MRXNPFEDSA-N -1 1 364.405 2.190 20 0 FEADMM CC(C)[C@@H](O)CCNC(=O)c1cc(I)ccc1[O-] ZINC000436974218 559958095 /nfs/dbraw/zinc/95/80/95/559958095.db2.gz XJNVGTBFSLYVAD-NSHDSACASA-N -1 1 363.195 2.134 20 0 FEADMM O=C(C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1)c1ccc([O-])cc1 ZINC000437000600 559959246 /nfs/dbraw/zinc/95/92/46/559959246.db2.gz NAQZGOMCBOQFCV-UHFFFAOYSA-N -1 1 365.364 2.485 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)CC(C)(C)OC)ccc1[N-]S(C)(=O)=O ZINC000438062491 559973585 /nfs/dbraw/zinc/97/35/85/559973585.db2.gz DSOKAWCZWUOZFM-LLVKDONJSA-N -1 1 373.475 2.392 20 0 FEADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000438758206 559983250 /nfs/dbraw/zinc/98/32/50/559983250.db2.gz UOGBPUAANSWOGF-UHFFFAOYSA-N -1 1 370.434 2.323 20 0 FEADMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000438777950 559983484 /nfs/dbraw/zinc/98/34/84/559983484.db2.gz LDCLUTGEIAKUNP-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM O=S(=O)([N-]CCc1cc(-c2ccncc2)n[nH]1)c1cc(F)ccc1F ZINC000440091652 560004568 /nfs/dbraw/zinc/00/45/68/560004568.db2.gz LRRJQZBSLGJDMF-UHFFFAOYSA-N -1 1 364.377 2.271 20 0 FEADMM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000442304956 560048996 /nfs/dbraw/zinc/04/89/96/560048996.db2.gz KLGXCTJTJFUBAC-UHFFFAOYSA-N -1 1 355.213 2.349 20 0 FEADMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000442768792 560056889 /nfs/dbraw/zinc/05/68/89/560056889.db2.gz MFNODWYKJVJDJX-CWRNSKLLSA-N -1 1 369.483 2.036 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1cccc(O)c1 ZINC000443058796 560068419 /nfs/dbraw/zinc/06/84/19/560068419.db2.gz OHZIGOOPWRCTNU-AWEZNQCLSA-N -1 1 365.769 2.404 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1C ZINC000443082449 560069890 /nfs/dbraw/zinc/06/98/90/560069890.db2.gz ZOFMSSCIMZBDDU-UHFFFAOYSA-N -1 1 365.455 2.194 20 0 FEADMM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1ccc(F)c(F)c1F ZINC000443267410 560076958 /nfs/dbraw/zinc/07/69/58/560076958.db2.gz VHXZURZZCMTPJH-SNVBAGLBSA-N -1 1 367.295 2.394 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)NC)cc2)c1 ZINC000443408248 560083380 /nfs/dbraw/zinc/08/33/80/560083380.db2.gz KIFVSHXFQUUKDH-UHFFFAOYSA-N -1 1 364.423 2.011 20 0 FEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000443936130 560096501 /nfs/dbraw/zinc/09/65/01/560096501.db2.gz DNBHHDOPSHAFEF-GXFFZTMASA-N -1 1 369.409 2.490 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1nn[n-]n1 ZINC000444231566 560106388 /nfs/dbraw/zinc/10/63/88/560106388.db2.gz GRQQGGWKRPHBJE-INIZCTEOSA-N -1 1 365.393 2.408 20 0 FEADMM Cn1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)ccc1=O ZINC000444354783 560110963 /nfs/dbraw/zinc/11/09/63/560110963.db2.gz VUBFDNPZQXFVPF-UHFFFAOYSA-N -1 1 369.421 2.406 20 0 FEADMM Cc1nn(C)c(C)c1C(=O)C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444782257 560120768 /nfs/dbraw/zinc/12/07/68/560120768.db2.gz IJBXPDVILLFISY-UHFFFAOYSA-N -1 1 355.373 2.696 20 0 FEADMM [O-]c1ccc(-c2noc(CCc3nc(-c4ncccn4)no3)n2)c(F)c1 ZINC000445463280 560132340 /nfs/dbraw/zinc/13/23/40/560132340.db2.gz HKEJJUWQKGWWSI-UHFFFAOYSA-N -1 1 354.301 2.207 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445487931 560132507 /nfs/dbraw/zinc/13/25/07/560132507.db2.gz UWKDWLUBDXVXLX-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1F ZINC000446638666 560148984 /nfs/dbraw/zinc/14/89/84/560148984.db2.gz QMAFZJZLRVRTQL-UHFFFAOYSA-N -1 1 357.334 2.045 20 0 FEADMM Cc1cc(CNC(=O)c2ccc3ccccc3c2[O-])ccc1S(N)(=O)=O ZINC000446717442 560150486 /nfs/dbraw/zinc/15/04/86/560150486.db2.gz CDHOMXDZBUGFCL-UHFFFAOYSA-N -1 1 370.430 2.431 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1F ZINC000446765915 560151327 /nfs/dbraw/zinc/15/13/27/560151327.db2.gz GLGHVBFSUQGHRE-UHFFFAOYSA-N -1 1 355.309 2.376 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)cc1 ZINC000447262296 560159105 /nfs/dbraw/zinc/15/91/05/560159105.db2.gz DJNLPIASECEFOX-UHFFFAOYSA-N -1 1 358.419 2.486 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)cc1 ZINC000447277751 560159408 /nfs/dbraw/zinc/15/94/08/560159408.db2.gz KNDVANLCRNBDJM-UHFFFAOYSA-N -1 1 372.402 2.126 20 0 FEADMM CCn1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1=O ZINC000447620808 560165361 /nfs/dbraw/zinc/16/53/61/560165361.db2.gz QTIYZSGBSVXQJE-UHFFFAOYSA-N -1 1 351.200 2.266 20 0 FEADMM COc1cc(CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc(OC)c1O ZINC000448035960 560176297 /nfs/dbraw/zinc/17/62/97/560176297.db2.gz UJLVIKOQFGTAJU-UHFFFAOYSA-N -1 1 359.407 3.042 20 0 FEADMM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000449834815 560241865 /nfs/dbraw/zinc/24/18/65/560241865.db2.gz MWEPNUNOKQUHQQ-CYBMUJFWSA-N -1 1 350.444 2.052 20 0 FEADMM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000449834815 560241866 /nfs/dbraw/zinc/24/18/66/560241866.db2.gz MWEPNUNOKQUHQQ-CYBMUJFWSA-N -1 1 350.444 2.052 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000449891519 560244511 /nfs/dbraw/zinc/24/45/11/560244511.db2.gz KVBPTYXEGUABJR-OAHLLOKOSA-N -1 1 365.437 2.194 20 0 FEADMM CCOC(=O)c1csc(=NC[C@@H]2C[C@H](F)CN2Cc2cc(C)no2)[n-]1 ZINC000450463343 560263149 /nfs/dbraw/zinc/26/31/49/560263149.db2.gz OFYWYVKQAUSIMB-RYUDHWBXSA-N -1 1 368.434 2.641 20 0 FEADMM CC(C)C[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)N1CCOCC1 ZINC000451015824 560282470 /nfs/dbraw/zinc/28/24/70/560282470.db2.gz KYOQZZIMTSHGMV-LBPRGKRZSA-N -1 1 366.936 2.427 20 0 FEADMM Cc1cc(Cl)c(C(=O)[O-])cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000451060811 560285270 /nfs/dbraw/zinc/28/52/70/560285270.db2.gz GWWFKTRNVSJOKL-UHFFFAOYSA-N -1 1 355.803 2.290 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c1 ZINC000451072096 560285516 /nfs/dbraw/zinc/28/55/16/560285516.db2.gz VEPWQBXEUZCAEM-MRVPVSSYSA-N -1 1 369.361 2.333 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1sccc1Cl)N1CCc2ccccc2C1 ZINC000451155184 560290264 /nfs/dbraw/zinc/29/02/64/560290264.db2.gz AUUQKZSFNVMPFF-UHFFFAOYSA-N -1 1 370.883 2.265 20 0 FEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCC2CCCC2)(C(=O)OC)C1(C)C ZINC000451435595 560307004 /nfs/dbraw/zinc/30/70/04/560307004.db2.gz JPSDHQFWDPZSKC-WMLDXEAASA-N -1 1 361.504 2.233 20 0 FEADMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1(C)C ZINC000451447148 560307678 /nfs/dbraw/zinc/30/76/78/560307678.db2.gz AVCLDFUTNFCNEM-RHSMWYFYSA-N -1 1 371.430 2.416 20 0 FEADMM CCN(CC)CCS(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000451619656 560317609 /nfs/dbraw/zinc/31/76/09/560317609.db2.gz JWXXXMKRBUJTIV-JTQLQIEISA-N -1 1 359.439 2.316 20 0 FEADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000451856047 560332736 /nfs/dbraw/zinc/33/27/36/560332736.db2.gz CLKREZXJKWGQPL-QMMMGPOBSA-N -1 1 354.350 2.217 20 0 FEADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3n[nH]c(C(C)C)n3)n2)c1 ZINC000452822550 560375517 /nfs/dbraw/zinc/37/55/17/560375517.db2.gz MPFXFMGIDFDEAD-UHFFFAOYSA-N -1 1 358.377 2.197 20 0 FEADMM Cc1cc(Br)c(CN2CCN(c3nc(=N)[n-]s3)CC2)s1 ZINC000453570153 560389071 /nfs/dbraw/zinc/38/90/71/560389071.db2.gz CXXURIALBJXJMK-UHFFFAOYSA-N -1 1 374.333 2.575 20 0 FEADMM Cc1n[n-]c(=NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)s1 ZINC000454234894 560435932 /nfs/dbraw/zinc/43/59/32/560435932.db2.gz PZVLENUDCLCNRW-UHFFFAOYSA-N -1 1 351.398 2.727 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H](C)O ZINC000456185587 560510108 /nfs/dbraw/zinc/51/01/08/560510108.db2.gz HOGOEKDGCCRHOW-SUMWQHHRSA-N -1 1 362.451 2.377 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H](CO)CC(C)(C)C ZINC000456433052 560520488 /nfs/dbraw/zinc/52/04/88/560520488.db2.gz ZUJAGDVJJHYFMK-LBPRGKRZSA-N -1 1 374.503 2.226 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000456781550 560532710 /nfs/dbraw/zinc/53/27/10/560532710.db2.gz FQLQGBQFPALBJD-YPMHNXCESA-N -1 1 354.353 2.169 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000456781548 560532770 /nfs/dbraw/zinc/53/27/70/560532770.db2.gz FQLQGBQFPALBJD-DGCLKSJQSA-N -1 1 354.353 2.169 20 0 FEADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([O-])c(F)c1F)C2=O ZINC000456795176 560533112 /nfs/dbraw/zinc/53/31/12/560533112.db2.gz UENBNKVKNNIWLD-VVVCHXIZSA-N -1 1 367.352 2.110 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456848227 560534401 /nfs/dbraw/zinc/53/44/01/560534401.db2.gz VJULNCGNZMMINL-CQSZACIVSA-N -1 1 361.348 2.159 20 0 FEADMM CCO[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000456957056 560540445 /nfs/dbraw/zinc/54/04/45/560540445.db2.gz GMPYWFYBOSNSQA-IAGOWNOFSA-N -1 1 370.453 2.147 20 0 FEADMM CCOC[C@@H]1CCCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000458060064 560601486 /nfs/dbraw/zinc/60/14/86/560601486.db2.gz DAAUSDNYXFGPRE-INIZCTEOSA-N -1 1 370.453 2.100 20 0 FEADMM CCCCCc1n[n-]c(=NC(=O)NCc2n[nH]c(C(C)(C)C)n2)s1 ZINC000459258699 560676470 /nfs/dbraw/zinc/67/64/70/560676470.db2.gz JWFLSSRLDSAHMR-UHFFFAOYSA-N -1 1 351.480 3.008 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)nn(C)c3C)c1 ZINC000461332065 560767004 /nfs/dbraw/zinc/76/70/04/560767004.db2.gz NCBGJSFSMOZKOL-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM O=C(NCc1c[nH]cn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461467156 560772985 /nfs/dbraw/zinc/77/29/85/560772985.db2.gz YAQNHWRAVQHFSH-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000461632856 560778049 /nfs/dbraw/zinc/77/80/49/560778049.db2.gz CSVAQWYZPKOCHW-UHFFFAOYSA-N -1 1 360.418 2.360 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1C)c1ccc(OC)cc1 ZINC000462268539 560803645 /nfs/dbraw/zinc/80/36/45/560803645.db2.gz CZQKTWPJBCJOLM-ZDUSSCGKSA-N -1 1 355.437 2.258 20 0 FEADMM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000464186520 560835011 /nfs/dbraw/zinc/83/50/11/560835011.db2.gz PEUYZTVIJBQJBF-UHFFFAOYSA-N -1 1 359.325 2.274 20 0 FEADMM COc1ccc(NC(=O)c2ccncc2Cl)cc1[N-]S(C)(=O)=O ZINC000465026392 560857110 /nfs/dbraw/zinc/85/71/10/560857110.db2.gz BOHCYTQBMLHOKS-UHFFFAOYSA-N -1 1 355.803 2.367 20 0 FEADMM Cn1[n-]c(CN2CCC[C@H]2c2cc(F)cc(Br)c2)nc1=O ZINC000467196042 560906127 /nfs/dbraw/zinc/90/61/27/560906127.db2.gz IRYSQUFWIFHJRE-LBPRGKRZSA-N -1 1 355.211 2.347 20 0 FEADMM CC(C)(C)Oc1cccc(CCC(=O)NC2(c3nn[n-]n3)CCCC2)n1 ZINC000467522314 560911982 /nfs/dbraw/zinc/91/19/82/560911982.db2.gz PBYLDVOOVFKOKS-UHFFFAOYSA-N -1 1 358.446 2.290 20 0 FEADMM COc1cc(NC(=O)NC[C@]2(C)CCCS2)ccc1[N-]S(C)(=O)=O ZINC000467577740 560913090 /nfs/dbraw/zinc/91/30/90/560913090.db2.gz IHARZNALJIIDST-HNNXBMFYSA-N -1 1 373.500 2.474 20 0 FEADMM CCC(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000467977145 560920567 /nfs/dbraw/zinc/92/05/67/560920567.db2.gz ATFXBKFIDDVWFS-UHFFFAOYSA-N -1 1 364.398 2.335 20 0 FEADMM COc1cc(OC)cc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000468145030 560923644 /nfs/dbraw/zinc/92/36/44/560923644.db2.gz DRGALHXLSMNUKS-UHFFFAOYSA-N -1 1 370.365 2.038 20 0 FEADMM COc1cc(OC)cc(N(C)C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1 ZINC000468145030 560923645 /nfs/dbraw/zinc/92/36/45/560923645.db2.gz DRGALHXLSMNUKS-UHFFFAOYSA-N -1 1 370.365 2.038 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1=CCOCC1 ZINC000471390143 561003693 /nfs/dbraw/zinc/00/36/93/561003693.db2.gz XWEHQEGDOOIPDH-UHFFFAOYSA-N -1 1 372.446 2.450 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1cccc(C)c1C ZINC000472735165 561033979 /nfs/dbraw/zinc/03/39/79/561033979.db2.gz DWABPFCCJHBLMP-ZBFHGGJFSA-N -1 1 355.456 2.006 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000473270063 561045993 /nfs/dbraw/zinc/04/59/93/561045993.db2.gz OYWZBXUGJXCLBH-JOYOIKCWSA-N -1 1 359.382 2.418 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ncn(C)n1 ZINC000473955502 561061939 /nfs/dbraw/zinc/06/19/39/561061939.db2.gz FLTMCGIIBNRGNE-ZCFIWIBFSA-N -1 1 353.206 2.301 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000474336951 561071524 /nfs/dbraw/zinc/07/15/24/561071524.db2.gz MMHFGJSNNFJKQT-HZPDHXFCSA-N -1 1 353.422 2.045 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000474405200 561073350 /nfs/dbraw/zinc/07/33/50/561073350.db2.gz AXPMJPMUUFGJPK-UHFFFAOYSA-N -1 1 366.786 2.419 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](CO)c1ccsc1 ZINC000474678199 561080168 /nfs/dbraw/zinc/08/01/68/561080168.db2.gz SFEKOKYLUYHSAP-OAHLLOKOSA-N -1 1 370.434 2.006 20 0 FEADMM CCc1onc(C)c1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000475498681 561098817 /nfs/dbraw/zinc/09/88/17/561098817.db2.gz YHOWRNABQFYNNS-UHFFFAOYSA-N -1 1 353.400 2.178 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cc2cccc(F)c2o1 ZINC000475747268 561104307 /nfs/dbraw/zinc/10/43/07/561104307.db2.gz INYYOYMFYSDLNT-JTQLQIEISA-N -1 1 357.341 2.280 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C ZINC000475791718 561105330 /nfs/dbraw/zinc/10/53/30/561105330.db2.gz AJLISWNZNPWSSZ-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCCc2ccc(F)c(F)c2)o1 ZINC000475950553 561108286 /nfs/dbraw/zinc/10/82/86/561108286.db2.gz MYKQIERDYJZJDI-UHFFFAOYSA-N -1 1 372.393 2.219 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCCC12OCCO2)c1ccc(F)cc1 ZINC000528353222 562324267 /nfs/dbraw/zinc/32/42/67/562324267.db2.gz TXYBPZLSHIRKPW-JKSUJKDBSA-N -1 1 373.446 2.118 20 0 FEADMM CO[C@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(F)cc1 ZINC000528567877 562336701 /nfs/dbraw/zinc/33/67/01/562336701.db2.gz IUTDJJGJAKPBFL-KRWDZBQOSA-N -1 1 358.373 2.195 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC[C@H]1CCCOC1 ZINC000529600129 562378563 /nfs/dbraw/zinc/37/85/63/562378563.db2.gz JIVJBLPKYOWXGF-CQSZACIVSA-N -1 1 356.426 2.028 20 0 FEADMM CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000529855437 562388967 /nfs/dbraw/zinc/38/89/67/562388967.db2.gz OVIBZJKKRIYUJY-YPMHNXCESA-N -1 1 361.179 2.294 20 0 FEADMM CCn1cccc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1=O ZINC000530139353 562399441 /nfs/dbraw/zinc/39/94/41/562399441.db2.gz ZBPLYAJVMHHMRN-OAHLLOKOSA-N -1 1 354.403 2.137 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000530171840 562401365 /nfs/dbraw/zinc/40/13/65/562401365.db2.gz HBXAMVRRUMQENK-NRFANRHFSA-N -1 1 372.465 2.169 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)CC[C@@H]1CCCO1 ZINC000530335073 562407210 /nfs/dbraw/zinc/40/72/10/562407210.db2.gz MVHZLDUCAUUPKI-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@@H](C(=O)C4CC4)C3)nc2)[n-]c(=O)c1C ZINC000530530550 562414756 /nfs/dbraw/zinc/41/47/56/562414756.db2.gz WPBJGHJHWSXGGB-OAHLLOKOSA-N -1 1 354.410 2.045 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc2n1C ZINC000530960889 562430099 /nfs/dbraw/zinc/43/00/99/562430099.db2.gz VCSBEUWZDXJCNW-UHFFFAOYSA-N -1 1 372.450 2.384 20 0 FEADMM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1cc2ccccc2o1 ZINC000531247771 562439544 /nfs/dbraw/zinc/43/95/44/562439544.db2.gz LSYJADJRICLMII-UHFFFAOYSA-N -1 1 354.391 2.492 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000531686882 562454071 /nfs/dbraw/zinc/45/40/71/562454071.db2.gz KJVWOLVAKRMVGO-RNFRBKRXSA-N -1 1 357.284 2.377 20 0 FEADMM CSCc1cccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000531733844 562455001 /nfs/dbraw/zinc/45/50/01/562455001.db2.gz MOCHCBDSJMQASZ-UHFFFAOYSA-N -1 1 364.500 2.337 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(OCCF)c3)cc2N1 ZINC000532352976 562475044 /nfs/dbraw/zinc/47/50/44/562475044.db2.gz NHPKUYHVFBHPQK-UHFFFAOYSA-N -1 1 366.370 2.167 20 0 FEADMM COc1cncc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000533219204 562501788 /nfs/dbraw/zinc/50/17/88/562501788.db2.gz WZERVYHAHBFVKA-MRXNPFEDSA-N -1 1 363.439 2.276 20 0 FEADMM Cc1cnccc1CCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000533681042 562515947 /nfs/dbraw/zinc/51/59/47/562515947.db2.gz CCKUFXVFDBNKOH-UHFFFAOYSA-N -1 1 363.421 2.157 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000534403458 562533370 /nfs/dbraw/zinc/53/33/70/562533370.db2.gz ZASXHXDWRWDTHK-LLVKDONJSA-N -1 1 356.444 2.068 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCC[C@@H](C)CO ZINC000534787017 562542292 /nfs/dbraw/zinc/54/22/92/562542292.db2.gz YXZHPQMHRMXKEM-CYBMUJFWSA-N -1 1 358.442 2.010 20 0 FEADMM COc1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000535566506 562561495 /nfs/dbraw/zinc/56/14/95/562561495.db2.gz HZWOCCFYJSOZAI-UHFFFAOYSA-N -1 1 353.400 2.012 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000535616202 562562567 /nfs/dbraw/zinc/56/25/67/562562567.db2.gz IWHATVVKUBUPAD-SNVBAGLBSA-N -1 1 365.329 2.355 20 0 FEADMM CCC1(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCOCC1 ZINC000535664352 562563726 /nfs/dbraw/zinc/56/37/26/562563726.db2.gz WNNBWFJUBKIJII-UHFFFAOYSA-N -1 1 356.426 2.171 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(-c4nnco4)c3)ccc2[nH]1 ZINC000536459013 562576086 /nfs/dbraw/zinc/57/60/86/562576086.db2.gz KMWRMDYVMHIXHA-UHFFFAOYSA-N -1 1 368.374 2.379 20 0 FEADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3cccc4cnccc43)cc21 ZINC000537033132 562584276 /nfs/dbraw/zinc/58/42/76/562584276.db2.gz VSMQWRIZBIETFX-UHFFFAOYSA-N -1 1 367.390 2.011 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000540738457 562592249 /nfs/dbraw/zinc/59/22/49/562592249.db2.gz DUJMZZXQAGZWAI-CYBMUJFWSA-N -1 1 369.370 2.398 20 0 FEADMM C[C@@H](O)C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000541241154 562606936 /nfs/dbraw/zinc/60/69/36/562606936.db2.gz ILGGNXPRGADCNQ-ZIAGYGMSSA-N -1 1 362.451 2.377 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc12 ZINC000545828971 562630866 /nfs/dbraw/zinc/63/08/66/562630866.db2.gz CTCPOTFPTWVRBX-UHFFFAOYSA-N -1 1 365.342 2.423 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000546170903 562634681 /nfs/dbraw/zinc/63/46/81/562634681.db2.gz VQRZHSBVJUJMIZ-UHFFFAOYSA-N -1 1 355.334 2.392 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000546264354 562635642 /nfs/dbraw/zinc/63/56/42/562635642.db2.gz UKMHLCLXLPZTSN-GJZGRUSLSA-N -1 1 368.499 2.103 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c(C(F)(F)F)n1 ZINC000549778037 562639637 /nfs/dbraw/zinc/63/96/37/562639637.db2.gz ZQMYMURIIXJCPD-LLVKDONJSA-N -1 1 369.409 2.049 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H](C)c2cccnc2)[n-]1 ZINC000550105566 562642616 /nfs/dbraw/zinc/64/26/16/562642616.db2.gz MQTCBTAPVRWKDN-TZMCWYRMSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H](C)c2cccnc2)n[n-]1 ZINC000550105566 562642617 /nfs/dbraw/zinc/64/26/17/562642617.db2.gz MQTCBTAPVRWKDN-TZMCWYRMSA-N -1 1 359.430 2.384 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H](C)c2cccnc2)n1 ZINC000550105566 562642618 /nfs/dbraw/zinc/64/26/18/562642618.db2.gz MQTCBTAPVRWKDN-TZMCWYRMSA-N -1 1 359.430 2.384 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)ccc1C ZINC000555974696 674384199 /nfs/dbraw/zinc/38/41/99/674384199.db2.gz VHXIQANWZRCCGF-UHFFFAOYSA-N -1 1 364.423 2.302 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC(=O)N3)cc2)c(C)s1 ZINC000556289314 674395010 /nfs/dbraw/zinc/39/50/10/674395010.db2.gz XLKXNRCVMMOVIE-OAHLLOKOSA-N -1 1 352.437 2.391 20 0 FEADMM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601686500 567819848 /nfs/dbraw/zinc/81/98/48/567819848.db2.gz ZPZOPQJCUREZTP-TZMCWYRMSA-N -1 1 355.818 2.063 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)n[n-]1 ZINC000603154295 568068382 /nfs/dbraw/zinc/06/83/82/568068382.db2.gz KHGVPJAPRZZPMR-RXMQYKEDSA-N -1 1 360.267 2.029 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)[n-]1 ZINC000603154295 568068383 /nfs/dbraw/zinc/06/83/83/568068383.db2.gz KHGVPJAPRZZPMR-RXMQYKEDSA-N -1 1 360.267 2.029 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000603154295 568068384 /nfs/dbraw/zinc/06/83/84/568068384.db2.gz KHGVPJAPRZZPMR-RXMQYKEDSA-N -1 1 360.267 2.029 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CCSc3ccccc32)n[n-]1 ZINC000603154933 568068468 /nfs/dbraw/zinc/06/84/68/568068468.db2.gz NAAUAPZXCHSLOD-JQWIXIFHSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CCSc3ccccc32)[n-]1 ZINC000603154933 568068469 /nfs/dbraw/zinc/06/84/69/568068469.db2.gz NAAUAPZXCHSLOD-JQWIXIFHSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CCSc3ccccc32)n1 ZINC000603154933 568068470 /nfs/dbraw/zinc/06/84/70/568068470.db2.gz NAAUAPZXCHSLOD-JQWIXIFHSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2c(C)cccc2Cl)n[n-]1 ZINC000603156723 568068748 /nfs/dbraw/zinc/06/87/48/568068748.db2.gz TVJXAPKSSAAUJC-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2c(C)cccc2Cl)[n-]1 ZINC000603156723 568068749 /nfs/dbraw/zinc/06/87/49/568068749.db2.gz TVJXAPKSSAAUJC-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2c(C)cccc2Cl)n1 ZINC000603156723 568068750 /nfs/dbraw/zinc/06/87/50/568068750.db2.gz TVJXAPKSSAAUJC-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCc2cccc(Cl)c2)n[n-]1 ZINC000603166834 568070357 /nfs/dbraw/zinc/07/03/57/568070357.db2.gz RZWLVKSLJFHKLR-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCc2cccc(Cl)c2)[n-]1 ZINC000603166834 568070358 /nfs/dbraw/zinc/07/03/58/568070358.db2.gz RZWLVKSLJFHKLR-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCc2cccc(Cl)c2)n1 ZINC000603166834 568070359 /nfs/dbraw/zinc/07/03/59/568070359.db2.gz RZWLVKSLJFHKLR-JTQLQIEISA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCc2ccccc2Cl)n[n-]1 ZINC000603167140 568070464 /nfs/dbraw/zinc/07/04/64/568070464.db2.gz VWSXNYALLFRZKX-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCc2ccccc2Cl)[n-]1 ZINC000603167140 568070465 /nfs/dbraw/zinc/07/04/65/568070465.db2.gz VWSXNYALLFRZKX-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCc2ccccc2Cl)n1 ZINC000603167140 568070466 /nfs/dbraw/zinc/07/04/66/568070466.db2.gz VWSXNYALLFRZKX-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)c1 ZINC000604303795 568245546 /nfs/dbraw/zinc/24/55/46/568245546.db2.gz ULYBCTHJXWYJNF-UHFFFAOYSA-N -1 1 373.434 2.355 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737186119 598841718 /nfs/dbraw/zinc/84/17/18/598841718.db2.gz HHINTFJTJUBVKN-KBVBSXBZSA-N -1 1 362.459 2.244 20 0 FEADMM Cc1noc(C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000737534912 598859843 /nfs/dbraw/zinc/85/98/43/598859843.db2.gz OCCZIRIHIZWTSU-UHFFFAOYSA-N -1 1 368.357 2.190 20 0 FEADMM CCN(Cc1ccoc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736556800 598873890 /nfs/dbraw/zinc/87/38/90/598873890.db2.gz UTLQOJTVARBUOV-UHFFFAOYSA-N -1 1 367.818 2.324 20 0 FEADMM CCN(Cc1ccoc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736556800 598873892 /nfs/dbraw/zinc/87/38/92/598873892.db2.gz UTLQOJTVARBUOV-UHFFFAOYSA-N -1 1 367.818 2.324 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1c1ccco1 ZINC000738353077 599295264 /nfs/dbraw/zinc/29/52/64/599295264.db2.gz CWLICXZLIPJFGV-LLVKDONJSA-N -1 1 363.374 2.125 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1c1ccco1 ZINC000738353077 599295265 /nfs/dbraw/zinc/29/52/65/599295265.db2.gz CWLICXZLIPJFGV-LLVKDONJSA-N -1 1 363.374 2.125 20 0 FEADMM COC[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736967408 598907013 /nfs/dbraw/zinc/90/70/13/598907013.db2.gz BIEYXCNLZWBGBA-NSHDSACASA-N -1 1 372.454 2.429 20 0 FEADMM Fc1cccc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737664846 598958651 /nfs/dbraw/zinc/95/86/51/598958651.db2.gz PCWQNKLBKRJCFQ-UHFFFAOYSA-N -1 1 351.345 2.440 20 0 FEADMM Fc1cccc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737664846 598958652 /nfs/dbraw/zinc/95/86/52/598958652.db2.gz PCWQNKLBKRJCFQ-UHFFFAOYSA-N -1 1 351.345 2.440 20 0 FEADMM C[S@@](=O)Cc1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737173911 598969904 /nfs/dbraw/zinc/96/99/04/598969904.db2.gz QQSNYGQETGGFRU-AREMUKBSSA-N -1 1 365.422 2.432 20 0 FEADMM C[S@@](=O)Cc1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737173911 598969906 /nfs/dbraw/zinc/96/99/06/598969906.db2.gz QQSNYGQETGGFRU-AREMUKBSSA-N -1 1 365.422 2.432 20 0 FEADMM Cc1ccn(C(=O)c2ccc(-c3nnn[n-]3)nc2)c(=NC2CCCCC2)c1 ZINC000737437733 598986725 /nfs/dbraw/zinc/98/67/25/598986725.db2.gz WONZSEVOYZYEOM-UHFFFAOYSA-N -1 1 363.425 2.294 20 0 FEADMM Cc1ccn(C(=O)c2ccc(-c3nn[n-]n3)nc2)c(=NC2CCCCC2)c1 ZINC000737437733 598986726 /nfs/dbraw/zinc/98/67/26/598986726.db2.gz WONZSEVOYZYEOM-UHFFFAOYSA-N -1 1 363.425 2.294 20 0 FEADMM CC(C)OC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735894040 598990271 /nfs/dbraw/zinc/99/02/71/598990271.db2.gz BTDUFTPLRPVQKD-UHFFFAOYSA-N -1 1 353.338 2.046 20 0 FEADMM CC(C)OC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735894040 598990272 /nfs/dbraw/zinc/99/02/72/598990272.db2.gz BTDUFTPLRPVQKD-UHFFFAOYSA-N -1 1 353.338 2.046 20 0 FEADMM O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738183571 598991860 /nfs/dbraw/zinc/99/18/60/598991860.db2.gz JPOWPSSPZSSVAA-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738183571 598991861 /nfs/dbraw/zinc/99/18/61/598991861.db2.gz JPOWPSSPZSSVAA-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737355428 598992690 /nfs/dbraw/zinc/99/26/90/598992690.db2.gz GTRWTBXURPYPRG-UHFFFAOYSA-N -1 1 363.381 2.171 20 0 FEADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737355428 598992691 /nfs/dbraw/zinc/99/26/91/598992691.db2.gz GTRWTBXURPYPRG-UHFFFAOYSA-N -1 1 363.381 2.171 20 0 FEADMM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145028 598994707 /nfs/dbraw/zinc/99/47/07/598994707.db2.gz QJZRQJSFXNODKR-UHFFFAOYSA-N -1 1 371.351 2.392 20 0 FEADMM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145028 598994708 /nfs/dbraw/zinc/99/47/08/598994708.db2.gz QJZRQJSFXNODKR-UHFFFAOYSA-N -1 1 371.351 2.392 20 0 FEADMM COC(=O)[C@@H](C)CSCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736891125 599014562 /nfs/dbraw/zinc/01/45/62/599014562.db2.gz HSXLAJIZPBCZIN-NSHDSACASA-N -1 1 372.454 2.403 20 0 FEADMM COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737129182 599024148 /nfs/dbraw/zinc/02/41/48/599024148.db2.gz JLSAITPQYPXOKD-HNNXBMFYSA-N -1 1 364.409 2.118 20 0 FEADMM COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737129182 599024149 /nfs/dbraw/zinc/02/41/49/599024149.db2.gz JLSAITPQYPXOKD-HNNXBMFYSA-N -1 1 364.409 2.118 20 0 FEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)cc2Cl)c[n-]1 ZINC000735940014 599032716 /nfs/dbraw/zinc/03/27/16/599032716.db2.gz OSJWMMXAHNANRE-UHFFFAOYSA-N -1 1 368.806 2.134 20 0 FEADMM CCO[C@H](C)c1noc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000821347656 599072278 /nfs/dbraw/zinc/07/22/78/599072278.db2.gz ZFYWAGQTODVPCW-MRVPVSSYSA-N -1 1 364.797 2.032 20 0 FEADMM CCO[C@H](C)c1noc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000821347656 599072281 /nfs/dbraw/zinc/07/22/81/599072281.db2.gz ZFYWAGQTODVPCW-MRVPVSSYSA-N -1 1 364.797 2.032 20 0 FEADMM O=C1c2ccccc2N[C@@H](c2ccc(-c3nnn[n-]3)o2)N1C[C@@H]1CCCO1 ZINC000823551291 599117632 /nfs/dbraw/zinc/11/76/32/599117632.db2.gz LRTOIUACRKFACH-APPDUMDISA-N -1 1 366.381 2.205 20 0 FEADMM O=C1c2ccccc2N[C@@H](c2ccc(-c3nn[n-]n3)o2)N1C[C@@H]1CCCO1 ZINC000823551291 599117635 /nfs/dbraw/zinc/11/76/35/599117635.db2.gz LRTOIUACRKFACH-APPDUMDISA-N -1 1 366.381 2.205 20 0 FEADMM Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737252455 599141588 /nfs/dbraw/zinc/14/15/88/599141588.db2.gz ZSUMZPJRBBNKAY-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737252455 599141589 /nfs/dbraw/zinc/14/15/89/599141589.db2.gz ZSUMZPJRBBNKAY-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737321639 599141650 /nfs/dbraw/zinc/14/16/50/599141650.db2.gz HDIYBYZAIXXTKZ-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737321639 599141652 /nfs/dbraw/zinc/14/16/52/599141652.db2.gz HDIYBYZAIXXTKZ-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2ccccc2c1 ZINC000737909369 599144262 /nfs/dbraw/zinc/14/42/62/599144262.db2.gz UAUCJQZSCADFTN-UHFFFAOYSA-N -1 1 359.345 2.455 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2ccccc2c1 ZINC000737909369 599144266 /nfs/dbraw/zinc/14/42/66/599144266.db2.gz UAUCJQZSCADFTN-UHFFFAOYSA-N -1 1 359.345 2.455 20 0 FEADMM COc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1SC(F)(F)F ZINC000737098843 599161869 /nfs/dbraw/zinc/16/18/69/599161869.db2.gz GICGTBJNDXJQIO-UHFFFAOYSA-N -1 1 357.321 2.127 20 0 FEADMM Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737365125 599198357 /nfs/dbraw/zinc/19/83/57/599198357.db2.gz QEAUGNBMPMUSNR-UHFFFAOYSA-N -1 1 364.409 2.254 20 0 FEADMM Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737365125 599198358 /nfs/dbraw/zinc/19/83/58/599198358.db2.gz QEAUGNBMPMUSNR-UHFFFAOYSA-N -1 1 364.409 2.254 20 0 FEADMM CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(Cl)ccc21 ZINC000736861048 599210592 /nfs/dbraw/zinc/21/05/92/599210592.db2.gz XSYKYLLMJVCZCU-UHFFFAOYSA-N -1 1 369.816 2.402 20 0 FEADMM CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(Cl)ccc21 ZINC000736861048 599210594 /nfs/dbraw/zinc/21/05/94/599210594.db2.gz XSYKYLLMJVCZCU-UHFFFAOYSA-N -1 1 369.816 2.402 20 0 FEADMM Cc1nc([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)sc1C ZINC000737473878 599242364 /nfs/dbraw/zinc/24/23/64/599242364.db2.gz IHXQPUZPOXFWIS-ZDUSSCGKSA-N -1 1 369.454 2.355 20 0 FEADMM Cc1nc([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)sc1C ZINC000737473878 599242368 /nfs/dbraw/zinc/24/23/68/599242368.db2.gz IHXQPUZPOXFWIS-ZDUSSCGKSA-N -1 1 369.454 2.355 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000818835378 597492753 /nfs/dbraw/zinc/49/27/53/597492753.db2.gz HHYKQYLBDYXIKN-QGZVFWFLSA-N -1 1 362.474 2.368 20 0 FEADMM C[C@H]1CCN(C(=O)CCc2cccnc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707716 674425000 /nfs/dbraw/zinc/42/50/00/674425000.db2.gz YPZGKYWYGJFZCJ-HUBLWGQQSA-N -1 1 357.376 2.318 20 0 FEADMM COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1OC ZINC000820826955 598188347 /nfs/dbraw/zinc/18/83/47/598188347.db2.gz PBADTSCYKPYWDK-KBXCAEBGSA-N -1 1 364.442 2.066 20 0 FEADMM CC(C)[C@@H](NCC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000035391671 598189444 /nfs/dbraw/zinc/18/94/44/598189444.db2.gz CPADLWZCLOOVQN-QMTHXVAHSA-N -1 1 357.248 2.325 20 0 FEADMM CC(=O)N(c1nc(CN[C@H](Cc2ccccc2)C(=O)[O-])cs1)C1CC1 ZINC000819732030 598193916 /nfs/dbraw/zinc/19/39/16/598193916.db2.gz SODOPEZLJFYWNX-MRXNPFEDSA-N -1 1 359.451 2.444 20 0 FEADMM CN(CCNC(=O)N1CCC[C@H](CC(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000556907494 674427480 /nfs/dbraw/zinc/42/74/80/674427480.db2.gz FYRRNQQHIQMKEQ-OAHLLOKOSA-N -1 1 351.422 2.154 20 0 FEADMM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737319984 598267762 /nfs/dbraw/zinc/26/77/62/598267762.db2.gz IDNUQDYSKLCBIY-CYBMUJFWSA-N -1 1 372.454 2.260 20 0 FEADMM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737319984 598267764 /nfs/dbraw/zinc/26/77/64/598267764.db2.gz IDNUQDYSKLCBIY-CYBMUJFWSA-N -1 1 372.454 2.260 20 0 FEADMM CC1=C(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)SCCO1 ZINC000807802674 674430478 /nfs/dbraw/zinc/43/04/78/674430478.db2.gz NYJYPOICWOFWSQ-QXEWZRGKSA-N -1 1 366.405 2.285 20 0 FEADMM Cc1ccc(C)c(OCCCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000737327179 598473374 /nfs/dbraw/zinc/47/33/74/598473374.db2.gz WQVSLCNWEFSCMW-UHFFFAOYSA-N -1 1 354.414 2.126 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000737776265 598528938 /nfs/dbraw/zinc/52/89/38/598528938.db2.gz KHKQACFUBFNDRN-UHFFFAOYSA-N -1 1 367.413 2.240 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000737776425 598529232 /nfs/dbraw/zinc/52/92/32/598529232.db2.gz MWKBBQRLSWHLGC-JGVFFNPUSA-N -1 1 364.196 2.396 20 0 FEADMM CC(C)c1nnc2n1C[C@@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000735952639 598578465 /nfs/dbraw/zinc/57/84/65/598578465.db2.gz JIVMUESXHDOZMA-VIFPVBQESA-N -1 1 359.825 2.057 20 0 FEADMM CC(C)c1nnc2n1C[C@@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000735952639 598578466 /nfs/dbraw/zinc/57/84/66/598578466.db2.gz JIVMUESXHDOZMA-VIFPVBQESA-N -1 1 359.825 2.057 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000737346472 598664087 /nfs/dbraw/zinc/66/40/87/598664087.db2.gz GDLDGRVRSMXASU-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1nnc(Oc2ccc(C(=O)N3CCCC3)cc2)c(-c2nnn[n-]2)c1C ZINC000737531393 598673153 /nfs/dbraw/zinc/67/31/53/598673153.db2.gz AIGAHPNAUSQBLJ-UHFFFAOYSA-N -1 1 365.397 2.302 20 0 FEADMM Cc1nnc(Oc2ccc(C(=O)N3CCCC3)cc2)c(-c2nn[n-]n2)c1C ZINC000737531393 598673155 /nfs/dbraw/zinc/67/31/55/598673155.db2.gz AIGAHPNAUSQBLJ-UHFFFAOYSA-N -1 1 365.397 2.302 20 0 FEADMM COc1cccc([C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737128635 598678627 /nfs/dbraw/zinc/67/86/27/598678627.db2.gz PPSPWGODHXLZET-SECBINFHSA-N -1 1 352.807 2.131 20 0 FEADMM COc1cccc([C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737128635 598678629 /nfs/dbraw/zinc/67/86/29/598678629.db2.gz PPSPWGODHXLZET-SECBINFHSA-N -1 1 352.807 2.131 20 0 FEADMM CC1CCC(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736243006 598687524 /nfs/dbraw/zinc/68/75/24/598687524.db2.gz UELMXRMTLNVQJD-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H](c1cccs1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736204732 598691085 /nfs/dbraw/zinc/69/10/85/598691085.db2.gz UGPYWURVKHXLKI-SECBINFHSA-N -1 1 367.431 2.449 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1nncn1C ZINC000557428862 674448869 /nfs/dbraw/zinc/44/88/69/674448869.db2.gz QPDWNHZCWVSHDQ-GFCCVEGCSA-N -1 1 353.220 2.410 20 0 FEADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738341632 598809675 /nfs/dbraw/zinc/80/96/75/598809675.db2.gz HMJFYRRXEBPIAV-UHFFFAOYSA-N -1 1 371.422 2.456 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820981489 599338137 /nfs/dbraw/zinc/33/81/37/599338137.db2.gz RUFLWEATNFWCSR-SNVBAGLBSA-N -1 1 355.851 2.331 20 0 FEADMM CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820039066 599339314 /nfs/dbraw/zinc/33/93/14/599339314.db2.gz UTBRENSSXSYOJE-LBPRGKRZSA-N -1 1 355.851 2.329 20 0 FEADMM CCc1nn(Cc2ccc3ccccc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707082 599369971 /nfs/dbraw/zinc/36/99/71/599369971.db2.gz PNJXVOVVAMKMLW-UHFFFAOYSA-N -1 1 361.409 2.145 20 0 FEADMM COc1cccc(N2CC[C@H](CNc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000737137760 599424947 /nfs/dbraw/zinc/42/49/47/599424947.db2.gz DRFIRGKQBSKYSU-CYBMUJFWSA-N -1 1 351.414 2.209 20 0 FEADMM COc1cccc(N2CC[C@H](CNc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000737137760 599424948 /nfs/dbraw/zinc/42/49/48/599424948.db2.gz DRFIRGKQBSKYSU-CYBMUJFWSA-N -1 1 351.414 2.209 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000736293684 599435936 /nfs/dbraw/zinc/43/59/36/599435936.db2.gz PEPFRFSBWHQYDV-VXGBXAGGSA-N -1 1 359.434 2.096 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000736293684 599435938 /nfs/dbraw/zinc/43/59/38/599435938.db2.gz PEPFRFSBWHQYDV-VXGBXAGGSA-N -1 1 359.434 2.096 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821977570 599450790 /nfs/dbraw/zinc/45/07/90/599450790.db2.gz IBKFNRPTUNDNSM-GXFFZTMASA-N -1 1 374.470 2.388 20 0 FEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736235911 599468971 /nfs/dbraw/zinc/46/89/71/599468971.db2.gz PVPFTCHPLQLTDJ-FZMZJTMJSA-N -1 1 352.373 2.419 20 0 FEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736235911 599468974 /nfs/dbraw/zinc/46/89/74/599468974.db2.gz PVPFTCHPLQLTDJ-FZMZJTMJSA-N -1 1 352.373 2.419 20 0 FEADMM CCCCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCC)=C1C ZINC000821065918 599492257 /nfs/dbraw/zinc/49/22/57/599492257.db2.gz OQTFKVCURBZEKU-AWEZNQCLSA-N -1 1 374.401 2.163 20 0 FEADMM CCCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCC)=C1C ZINC000821065918 599492260 /nfs/dbraw/zinc/49/22/60/599492260.db2.gz OQTFKVCURBZEKU-AWEZNQCLSA-N -1 1 374.401 2.163 20 0 FEADMM FC(F)(F)CN1CC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000822718189 599507428 /nfs/dbraw/zinc/50/74/28/599507428.db2.gz BWOCTJDQFLRBCV-JTQLQIEISA-N -1 1 363.347 2.463 20 0 FEADMM FC(F)(F)CN1CC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000822718189 599507430 /nfs/dbraw/zinc/50/74/30/599507430.db2.gz BWOCTJDQFLRBCV-JTQLQIEISA-N -1 1 363.347 2.463 20 0 FEADMM CN(C)C(=O)C1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCCC1 ZINC000821575488 599557932 /nfs/dbraw/zinc/55/79/32/599557932.db2.gz DOIIJYIXGRSIJD-UHFFFAOYSA-N -1 1 365.441 2.475 20 0 FEADMM CN(C)C(=O)C1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCCC1 ZINC000821575488 599557933 /nfs/dbraw/zinc/55/79/33/599557933.db2.gz DOIIJYIXGRSIJD-UHFFFAOYSA-N -1 1 365.441 2.475 20 0 FEADMM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000821657146 607384981 /nfs/dbraw/zinc/38/49/81/607384981.db2.gz ITHMXJWECMEWEZ-AWEZNQCLSA-N -1 1 355.423 2.028 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)c2cccc(-c3nnn[n-]3)n2)n1 ZINC000820097342 599686695 /nfs/dbraw/zinc/68/66/95/599686695.db2.gz NGACXUXEXXCYID-NSHDSACASA-N -1 1 358.406 2.015 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)c2cccc(-c3nn[n-]n3)n2)n1 ZINC000820097342 599686696 /nfs/dbraw/zinc/68/66/96/599686696.db2.gz NGACXUXEXXCYID-NSHDSACASA-N -1 1 358.406 2.015 20 0 FEADMM CC(C)(C(=O)NOCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736223241 599710989 /nfs/dbraw/zinc/71/09/89/599710989.db2.gz CHLZEHBXJFVFSP-UHFFFAOYSA-N -1 1 356.378 2.349 20 0 FEADMM O=C([O-])NCCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000739948773 599723159 /nfs/dbraw/zinc/72/31/59/599723159.db2.gz YLLNLIHWXDADTN-UHFFFAOYSA-N -1 1 362.430 2.097 20 0 FEADMM CN1CCN(C[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)c2ccccc2)CC1 ZINC000737526570 599749394 /nfs/dbraw/zinc/74/93/94/599749394.db2.gz UOAGIQXJGRYNBI-OAHLLOKOSA-N -1 1 373.478 2.165 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000324977380 599780821 /nfs/dbraw/zinc/78/08/21/599780821.db2.gz QABFTIIAHXTRQS-CYBMUJFWSA-N -1 1 372.874 2.287 20 0 FEADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnn1-c1ccccc1F ZINC000822110082 607395544 /nfs/dbraw/zinc/39/55/44/607395544.db2.gz VCKLKCZDSHNPAP-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnn1-c1ccccc1F ZINC000822110082 607395545 /nfs/dbraw/zinc/39/55/45/607395545.db2.gz VCKLKCZDSHNPAP-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736442101 599828210 /nfs/dbraw/zinc/82/82/10/599828210.db2.gz DHEYBXJTOVJJJD-QGZVFWFLSA-N -1 1 363.458 2.182 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC2)cc1 ZINC000738005023 599842163 /nfs/dbraw/zinc/84/21/63/599842163.db2.gz ZUKKNZWAVJDLDD-QGZVFWFLSA-N -1 1 363.458 2.022 20 0 FEADMM COC(=O)CCc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000737604090 599855070 /nfs/dbraw/zinc/85/50/70/599855070.db2.gz HNWWDLZCTSZLSS-UHFFFAOYSA-N -1 1 369.420 2.353 20 0 FEADMM Cc1nc(C[C@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)no1 ZINC000738851619 599958317 /nfs/dbraw/zinc/95/83/17/599958317.db2.gz OZYRCRPFWQLVHA-CYBMUJFWSA-N -1 1 355.398 2.338 20 0 FEADMM O=C([O-])c1cccc2c1CCCN2CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000740243665 600024854 /nfs/dbraw/zinc/02/48/54/600024854.db2.gz ZVOLJGSCZQPFCP-UHFFFAOYSA-N -1 1 371.418 2.160 20 0 FEADMM COc1ccccc1[C@@H](C)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000738120052 600046384 /nfs/dbraw/zinc/04/63/84/600046384.db2.gz KPZGUYRDWITURF-KDOFPFPSSA-N -1 1 368.433 2.384 20 0 FEADMM CN(CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C(=O)[O-] ZINC000737395476 600047133 /nfs/dbraw/zinc/04/71/33/600047133.db2.gz WINIKNQBCDFGBP-OAHLLOKOSA-N -1 1 353.850 2.421 20 0 FEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000739544075 600064174 /nfs/dbraw/zinc/06/41/74/600064174.db2.gz DKJKONWHXCPSFS-GJZGRUSLSA-N -1 1 370.371 2.460 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000589430023 600094237 /nfs/dbraw/zinc/09/42/37/600094237.db2.gz RGRHFUFUTWHDLD-UHFFFAOYSA-N -1 1 373.387 2.048 20 0 FEADMM COCCOc1ccc(F)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000589437396 600098793 /nfs/dbraw/zinc/09/87/93/600098793.db2.gz KULKCJYSXVALLG-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM CN(C)[C@H](CNC(=O)Nc1nnc(CCC(=O)[O-])s1)c1cccs1 ZINC000737358808 600290721 /nfs/dbraw/zinc/29/07/21/600290721.db2.gz QRBPTEOTSOQKBS-SECBINFHSA-N -1 1 369.472 2.041 20 0 FEADMM COc1ccc([C@H](NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C2CC2)cc1 ZINC000737960723 600291221 /nfs/dbraw/zinc/29/12/21/600291221.db2.gz OLFUGDUTULJJAY-IEBWSBKVSA-N -1 1 372.465 2.449 20 0 FEADMM Cc1cccc(NC[C@H]2CCN(Cc3noc(CCCC(=O)[O-])n3)C2)n1 ZINC000738736816 600295875 /nfs/dbraw/zinc/29/58/75/600295875.db2.gz XAMNQAQDXCEYGQ-CQSZACIVSA-N -1 1 359.430 2.114 20 0 FEADMM CCOCc1ccccc1CNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737177139 600303183 /nfs/dbraw/zinc/30/31/83/600303183.db2.gz BJCSLFKONSAKNP-QGZVFWFLSA-N -1 1 360.454 2.026 20 0 FEADMM CNC(=O)[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000737539556 600330710 /nfs/dbraw/zinc/33/07/10/600330710.db2.gz RKTQGQBBOLRZIP-AWEZNQCLSA-N -1 1 359.451 2.466 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1CCOC ZINC000736941490 600335252 /nfs/dbraw/zinc/33/52/52/600335252.db2.gz XSDLBTPWCNEETG-LLVKDONJSA-N -1 1 371.384 2.238 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CCC(Cc3ccccc3F)CC2)CC1 ZINC000583031193 600338191 /nfs/dbraw/zinc/33/81/91/600338191.db2.gz ZWGIOIQFTRLYJH-UHFFFAOYSA-N -1 1 362.445 2.403 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737358507 600346853 /nfs/dbraw/zinc/34/68/53/600346853.db2.gz NWODDNZHYNBUSH-HOTGVXAUSA-N -1 1 363.433 2.325 20 0 FEADMM CC1CCN([C@H](CNS(=O)(=O)CCCC(=O)[O-])c2cccs2)CC1 ZINC000736798251 600401107 /nfs/dbraw/zinc/40/11/07/600401107.db2.gz UFNCUQJCZUVYAS-CQSZACIVSA-N -1 1 374.528 2.305 20 0 FEADMM COc1cccc(C(=O)N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000738083156 600401529 /nfs/dbraw/zinc/40/15/29/600401529.db2.gz MDDRZQDOVWKKCW-GOSISDBHSA-N -1 1 354.406 2.279 20 0 FEADMM CNS(=O)(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737556724 600422733 /nfs/dbraw/zinc/42/27/33/600422733.db2.gz BHPFHTRGXLXXQH-OAHLLOKOSA-N -1 1 368.842 2.164 20 0 FEADMM CS(=O)(=O)c1cccc(OCCN(CC(=O)[O-])Cc2ccccc2)c1 ZINC000574645200 600429879 /nfs/dbraw/zinc/42/98/79/600429879.db2.gz UGSMGYAVTWXXOS-UHFFFAOYSA-N -1 1 363.435 2.056 20 0 FEADMM CCc1cc(CNC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)n[nH]1 ZINC000737253889 600460131 /nfs/dbraw/zinc/46/01/31/600460131.db2.gz KRSYGAKMAMHDQP-CYBMUJFWSA-N -1 1 371.441 2.091 20 0 FEADMM O=C([O-])CCN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H]1CCCO1 ZINC000739718832 600514462 /nfs/dbraw/zinc/51/44/62/600514462.db2.gz OAESJXIELRZNCU-BBWFWOEESA-N -1 1 352.475 2.123 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000390432051 600517971 /nfs/dbraw/zinc/51/79/71/600517971.db2.gz PZABKVDWXBWABW-QGZVFWFLSA-N -1 1 374.462 2.328 20 0 FEADMM CC(C)N1CCN(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000736473401 600546747 /nfs/dbraw/zinc/54/67/47/600546747.db2.gz DONHTUSGSKAPNL-UHFFFAOYSA-N -1 1 363.458 2.166 20 0 FEADMM CCOC(=O)c1cc(CC)sc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000737154403 600558225 /nfs/dbraw/zinc/55/82/25/600558225.db2.gz TUWKNVAQNDCDAY-UHFFFAOYSA-N -1 1 368.455 2.413 20 0 FEADMM C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000738180650 600612447 /nfs/dbraw/zinc/61/24/47/600612447.db2.gz XYMACEKGGJFFIZ-OAQYLSRUSA-N -1 1 359.450 2.126 20 0 FEADMM COC(=O)CCc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000609219021 600680823 /nfs/dbraw/zinc/68/08/23/600680823.db2.gz FVMBCWUAMFQGMK-UHFFFAOYSA-N -1 1 369.420 2.353 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c(F)cc1F ZINC000833306272 600691340 /nfs/dbraw/zinc/69/13/40/600691340.db2.gz MMHBPTVQUCJXJE-UHFFFAOYSA-N -1 1 357.338 2.070 20 0 FEADMM CCN(CC)[C@@H](CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000326746098 600694487 /nfs/dbraw/zinc/69/44/87/600694487.db2.gz KMDRTYBPJVZUHR-INIZCTEOSA-N -1 1 365.455 2.074 20 0 FEADMM C[C@@H](C(=O)NCC(=O)[O-])N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000736210298 600794387 /nfs/dbraw/zinc/79/43/87/600794387.db2.gz XSHHCDBSIWQPQN-NSHDSACASA-N -1 1 369.259 2.002 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000828718407 600799075 /nfs/dbraw/zinc/79/90/75/600799075.db2.gz MIHYUCABWSMQLT-IFXJQAMLSA-N -1 1 362.470 2.490 20 0 FEADMM CN(C)C(=O)C1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000830542950 600816107 /nfs/dbraw/zinc/81/61/07/600816107.db2.gz QIIRDMXAJORGSW-UHFFFAOYSA-N -1 1 354.834 2.217 20 0 FEADMM CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3cccs3)cc2)CC1 ZINC000830954995 600915932 /nfs/dbraw/zinc/91/59/32/600915932.db2.gz VXPBKJUOVAIMEI-QGZVFWFLSA-N -1 1 373.478 2.051 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3cccs3)cc2)CC1 ZINC000830954995 600915936 /nfs/dbraw/zinc/91/59/36/600915936.db2.gz VXPBKJUOVAIMEI-QGZVFWFLSA-N -1 1 373.478 2.051 20 0 FEADMM Cc1cccnc1[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)C ZINC000738322722 600956491 /nfs/dbraw/zinc/95/64/91/600956491.db2.gz YFHBBZMNCZVSOE-OAHLLOKOSA-N -1 1 362.455 2.399 20 0 FEADMM C[C@@](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)(C(=O)[O-])C1CC1 ZINC000827729280 601033671 /nfs/dbraw/zinc/03/36/71/601033671.db2.gz ZFSFNAHIJQGBQA-QAPCUYQASA-N -1 1 359.451 2.192 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000630222566 601098121 /nfs/dbraw/zinc/09/81/21/601098121.db2.gz FXTSDWFDZSCICG-STQMWFEESA-N -1 1 350.484 2.494 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)NCc2nc3ccc(C)cc3[nH]2)c(C(=O)[O-])c1C ZINC000825936461 601105816 /nfs/dbraw/zinc/10/58/16/601105816.db2.gz FLRIPTOLEIQHDD-UHFFFAOYSA-N -1 1 368.393 2.268 20 0 FEADMM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cn2)C[C@H](C)O1 ZINC000820775747 607491912 /nfs/dbraw/zinc/49/19/12/607491912.db2.gz JCLSDJUOTVKKPL-TXEJJXNPSA-N -1 1 355.402 2.080 20 0 FEADMM C[C@@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cn2)C[C@H](C)O1 ZINC000820775747 607491914 /nfs/dbraw/zinc/49/19/14/607491914.db2.gz JCLSDJUOTVKKPL-TXEJJXNPSA-N -1 1 355.402 2.080 20 0 FEADMM Cc1ccccc1Cc1noc(CN(CCC(=O)[O-])C2CCOCC2)n1 ZINC000580193673 601155179 /nfs/dbraw/zinc/15/51/79/601155179.db2.gz OKLRBAGUNZFGDP-UHFFFAOYSA-N -1 1 359.426 2.425 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000826785813 601195901 /nfs/dbraw/zinc/19/59/01/601195901.db2.gz FIRGBJDEVXSUPK-KKUMJFAQSA-N -1 1 368.499 2.252 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)N1CCCC[C@H]1C ZINC000737748588 601218138 /nfs/dbraw/zinc/21/81/38/601218138.db2.gz AXZOWVVXARYWKG-NEPJUHHUSA-N -1 1 358.435 2.065 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737787189 601244354 /nfs/dbraw/zinc/24/43/54/601244354.db2.gz LWOKDNRZBKIYPP-GFCCVEGCSA-N -1 1 358.435 2.067 20 0 FEADMM COc1ccc([C@@H](CNC(=O)c2ccnc(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000832240645 601247960 /nfs/dbraw/zinc/24/79/60/601247960.db2.gz FLGZNYUEQRVDJU-GOSISDBHSA-N -1 1 369.421 2.355 20 0 FEADMM C[C@H](CS(=O)(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000828284726 601272641 /nfs/dbraw/zinc/27/26/41/601272641.db2.gz HLBGEDOZOZBNKQ-KGLIPLIRSA-N -1 1 374.528 2.161 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1OC ZINC000832419514 601382967 /nfs/dbraw/zinc/38/29/67/601382967.db2.gz JJRPTEBQDNFHHI-UHFFFAOYSA-N -1 1 372.786 2.251 20 0 FEADMM Cc1nc(C)n(C[C@H]2CCCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)n1 ZINC000832995879 601400812 /nfs/dbraw/zinc/40/08/12/601400812.db2.gz NDGPNNOHQJOKRH-HNNXBMFYSA-N -1 1 368.441 2.313 20 0 FEADMM COC[C@@](C)(CC(=O)[O-])NCc1cc2c(cc1Br)OCO2 ZINC000831579214 601487005 /nfs/dbraw/zinc/48/70/05/601487005.db2.gz XMUTYRGANMNIGJ-CQSZACIVSA-N -1 1 360.204 2.147 20 0 FEADMM CN(Cc1ccccc1F)C(=O)CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000620316025 601547788 /nfs/dbraw/zinc/54/77/88/601547788.db2.gz UTKLTVRKCZNDSR-LJQANCHMSA-N -1 1 356.397 2.468 20 0 FEADMM CN(CCOCC1CC1)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000830788808 601548725 /nfs/dbraw/zinc/54/87/25/601548725.db2.gz BSVUUWVSXBGBTE-GOSISDBHSA-N -1 1 373.453 2.080 20 0 FEADMM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NCc1c[nH]nn1 ZINC000833144533 601607300 /nfs/dbraw/zinc/60/73/00/601607300.db2.gz WHTKNJMUEYLAEE-UHFFFAOYSA-N -1 1 358.379 2.318 20 0 FEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827942445 601626511 /nfs/dbraw/zinc/62/65/11/601626511.db2.gz SEGVSEULWDNIMC-NSHDSACASA-N -1 1 366.414 2.364 20 0 FEADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000826010656 607519332 /nfs/dbraw/zinc/51/93/32/607519332.db2.gz NEMGEKVNCWMRGJ-AWEZNQCLSA-N -1 1 369.816 2.157 20 0 FEADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000826010656 607519335 /nfs/dbraw/zinc/51/93/35/607519335.db2.gz NEMGEKVNCWMRGJ-AWEZNQCLSA-N -1 1 369.816 2.157 20 0 FEADMM Cc1cc(CC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])[nH]n1 ZINC000832883794 601683414 /nfs/dbraw/zinc/68/34/14/601683414.db2.gz PSHJQAKZSVYPMC-QGZVFWFLSA-N -1 1 351.406 2.474 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@@H](N3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000829430533 601850032 /nfs/dbraw/zinc/85/00/32/601850032.db2.gz AKALJGKBXINPDD-UZLBHIALSA-N -1 1 358.438 2.458 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 ZINC000740369594 601929788 /nfs/dbraw/zinc/92/97/88/601929788.db2.gz ORLKDEMELBRXAI-DLBZAZTESA-N -1 1 363.433 2.439 20 0 FEADMM CCCCOC(=O)c1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000829401132 601938665 /nfs/dbraw/zinc/93/86/65/601938665.db2.gz DDAXUPYYMRJWFR-LJQANCHMSA-N -1 1 362.426 2.379 20 0 FEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738630109 601943452 /nfs/dbraw/zinc/94/34/52/601943452.db2.gz JMJKROKOWCYAFX-HUUCEWRRSA-N -1 1 360.458 2.203 20 0 FEADMM C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738626307 601959415 /nfs/dbraw/zinc/95/94/15/601959415.db2.gz CEAWSSOYNWTAIX-MNOVXSKESA-N -1 1 370.247 2.366 20 0 FEADMM COc1ccc(-n2cnnc2SCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826187018 607537322 /nfs/dbraw/zinc/53/73/22/607537322.db2.gz VVKOFFJCOSGURD-UHFFFAOYSA-N -1 1 366.410 2.143 20 0 FEADMM COc1ccc(-n2cnnc2SCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826187018 607537323 /nfs/dbraw/zinc/53/73/23/607537323.db2.gz VVKOFFJCOSGURD-UHFFFAOYSA-N -1 1 366.410 2.143 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832699966 602002446 /nfs/dbraw/zinc/00/24/46/602002446.db2.gz VNUODTJVTITDNP-UHFFFAOYSA-N -1 1 373.383 2.314 20 0 FEADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c1Br ZINC000740203268 602007354 /nfs/dbraw/zinc/00/73/54/602007354.db2.gz JFRPTNHGSZGTGB-APPZFPTMSA-N -1 1 359.224 2.131 20 0 FEADMM C[C@@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915820 602097349 /nfs/dbraw/zinc/09/73/49/602097349.db2.gz IMZUFOYTGFXUEK-HOTGVXAUSA-N -1 1 374.485 2.122 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1ccco1 ZINC000739405311 602144783 /nfs/dbraw/zinc/14/47/83/602144783.db2.gz BFQUDCXZEZRIQP-GJZGRUSLSA-N -1 1 366.462 2.352 20 0 FEADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC000825951497 602154969 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CCN(CC)[C@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000827035089 604030397 /nfs/dbraw/zinc/03/03/97/604030397.db2.gz JAUNSMCTJWNCIL-OAHLLOKOSA-N -1 1 366.462 2.446 20 0 FEADMM CCCC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCC1 ZINC000825247969 607670966 /nfs/dbraw/zinc/67/09/66/607670966.db2.gz JWSAJFPICUVVIE-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000825629863 604103570 /nfs/dbraw/zinc/10/35/70/604103570.db2.gz JPJYLFYIOAWATC-BBRMVZONSA-N -1 1 351.422 2.419 20 0 FEADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825893837 604107595 /nfs/dbraw/zinc/10/75/95/604107595.db2.gz BKPCCUPRJGDRGD-HLLBOEOZSA-N -1 1 369.506 2.209 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256234 604217104 /nfs/dbraw/zinc/21/71/04/604217104.db2.gz VNILKMISJYWOQG-YNEHKIRRSA-N -1 1 363.414 2.110 20 0 FEADMM O=C([O-])N1CCC(NCc2nc3ccccn3c2Br)CC1 ZINC000831963423 604246295 /nfs/dbraw/zinc/24/62/95/604246295.db2.gz GFBZGMFZKIVWKG-UHFFFAOYSA-N -1 1 353.220 2.329 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCSC[C@@H]3CC(=O)[O-])n[nH]2)cc1 ZINC000262192182 604285283 /nfs/dbraw/zinc/28/52/83/604285283.db2.gz RFVKIXQVTUKDFQ-LBPRGKRZSA-N -1 1 361.423 2.118 20 0 FEADMM O=C([O-])CCc1csc(NC(=O)CSc2n[nH]c(=S)s2)n1 ZINC000833238284 604348039 /nfs/dbraw/zinc/34/80/39/604348039.db2.gz ZPELAXACHAWPSC-UHFFFAOYSA-N -1 1 362.483 2.031 20 0 FEADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000833358098 604359104 /nfs/dbraw/zinc/35/91/04/604359104.db2.gz OOLRTHSKSAJAGU-CJNGLKHVSA-N -1 1 366.845 2.037 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c3ccccc3)C2)n[nH]1 ZINC000830735264 604645675 /nfs/dbraw/zinc/64/56/75/604645675.db2.gz QRTGFRMUARZVNB-WQVCFCJDSA-N -1 1 371.441 2.464 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])C2)n[nH]1 ZINC000830732457 604645821 /nfs/dbraw/zinc/64/58/21/604645821.db2.gz CCDSDFDVSQKVMY-XGUBFFRZSA-N -1 1 361.446 2.130 20 0 FEADMM COc1ncc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000826222489 607708641 /nfs/dbraw/zinc/70/86/41/607708641.db2.gz YSEYPBPPUGKGKM-UHFFFAOYSA-N -1 1 351.775 2.342 20 0 FEADMM COc1ncc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000826222489 607708642 /nfs/dbraw/zinc/70/86/42/607708642.db2.gz YSEYPBPPUGKGKM-UHFFFAOYSA-N -1 1 351.775 2.342 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)CCO1 ZINC000825326177 604772540 /nfs/dbraw/zinc/77/25/40/604772540.db2.gz NIHACQROZBRBQK-HQJQHLMTSA-N -1 1 363.197 2.196 20 0 FEADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(SC(F)F)cc1 ZINC000825486612 604772879 /nfs/dbraw/zinc/77/28/79/604772879.db2.gz ZQRZZUKWNKDOGU-NSHDSACASA-N -1 1 373.425 2.474 20 0 FEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc2c(c1)nnn2C ZINC000828493852 604776204 /nfs/dbraw/zinc/77/62/04/604776204.db2.gz KPLZBCGEUFOQMF-AWEZNQCLSA-N -1 1 365.437 2.377 20 0 FEADMM C[C@H](C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-])N(C)Cc1ccccc1 ZINC000833404651 604850481 /nfs/dbraw/zinc/85/04/81/604850481.db2.gz NGJSMGLXBNWVLJ-KDOFPFPSSA-N -1 1 374.412 2.294 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000833416642 604856912 /nfs/dbraw/zinc/85/69/12/604856912.db2.gz CCMFEHFNFWCEFJ-WFASDCNBSA-N -1 1 362.401 2.280 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)C[C@](C)(c3ccccc3)C2=O)C1 ZINC000833573616 604865519 /nfs/dbraw/zinc/86/55/19/604865519.db2.gz KTFKREJDVYIYDD-IIBYNOLFSA-N -1 1 372.465 2.484 20 0 FEADMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833420966 604865859 /nfs/dbraw/zinc/86/58/59/604865859.db2.gz SYQAVQBKSOLCTP-NSHDSACASA-N -1 1 372.425 2.484 20 0 FEADMM C[C@H]1CCCCN1CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833615610 605018184 /nfs/dbraw/zinc/01/81/84/605018184.db2.gz PRJMDNJQQZOISZ-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)n[nH]1 ZINC000833672438 605021158 /nfs/dbraw/zinc/02/11/58/605021158.db2.gz AJJSHNGIZGVSOS-QMMMGPOBSA-N -1 1 367.793 2.367 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000833622743 605043075 /nfs/dbraw/zinc/04/30/75/605043075.db2.gz FYUIRTQQUIMGSB-LBPRGKRZSA-N -1 1 373.375 2.396 20 0 FEADMM Cc1c(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cnn1-c1cccc(C)c1 ZINC000833752076 605097273 /nfs/dbraw/zinc/09/72/73/605097273.db2.gz IXGPDNYWZLFADT-OAHLLOKOSA-N -1 1 370.453 2.110 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000833624615 605100695 /nfs/dbraw/zinc/10/06/95/605100695.db2.gz JIZHJOWZTAKYEM-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000833622376 605109122 /nfs/dbraw/zinc/10/91/22/605109122.db2.gz PECDEFARANQYFJ-JHJVBQTASA-N -1 1 350.381 2.363 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000833622316 605158137 /nfs/dbraw/zinc/15/81/37/605158137.db2.gz OYACKGOVTZKXDQ-LQYUOIDQSA-N -1 1 353.422 2.255 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C[C@@H]1C ZINC000833655338 605159574 /nfs/dbraw/zinc/15/95/74/605159574.db2.gz DCDNQNTYXBLEQY-NWDGAFQWSA-N -1 1 365.430 2.348 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000833618972 605160620 /nfs/dbraw/zinc/16/06/20/605160620.db2.gz HRGORHMQOISNEZ-SZZPACECSA-N -1 1 365.499 2.461 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000833624424 605168394 /nfs/dbraw/zinc/16/83/94/605168394.db2.gz ICCLIUABRWJUSF-SNVBAGLBSA-N -1 1 366.368 2.122 20 0 FEADMM CC1(C)C[C@H](N(CC(=O)NCCC(=O)[O-])Cc2ccccc2)C(C)(C)O1 ZINC000833555566 605247020 /nfs/dbraw/zinc/24/70/20/605247020.db2.gz DMFVLDRPGKUTPD-INIZCTEOSA-N -1 1 362.470 2.426 20 0 FEADMM COCCN1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@H]1C ZINC000833724417 605264793 /nfs/dbraw/zinc/26/47/93/605264793.db2.gz LZOSIYQIJQIHGD-IUODEOHRSA-N -1 1 360.376 2.484 20 0 FEADMM CC(C)(CO)N1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833461766 605266253 /nfs/dbraw/zinc/26/62/53/605266253.db2.gz KBVACIQHKNQNEI-AWEZNQCLSA-N -1 1 360.376 2.220 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)n[nH]1 ZINC000830030566 605301621 /nfs/dbraw/zinc/30/16/21/605301621.db2.gz OXRAAXRERGBHOA-BLLLJJGKSA-N -1 1 363.462 2.213 20 0 FEADMM O=C([O-])N[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000834180658 605307623 /nfs/dbraw/zinc/30/76/23/605307623.db2.gz FWRQCGVJHQOFSA-VXGBXAGGSA-N -1 1 362.348 2.177 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C)c1ccco1 ZINC000827035091 605384943 /nfs/dbraw/zinc/38/49/43/605384943.db2.gz JDYWMTDZSRQRCK-RBSFLKMASA-N -1 1 366.462 2.493 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000834287371 605424735 /nfs/dbraw/zinc/42/47/35/605424735.db2.gz KCLDFEWZPNVDHW-HZPDHXFCSA-N -1 1 369.425 2.466 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC000833813494 605523896 /nfs/dbraw/zinc/52/38/96/605523896.db2.gz BDCPIDFKGOWXFO-BJJXKVORSA-N -1 1 366.437 2.116 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000825816132 605552469 /nfs/dbraw/zinc/55/24/69/605552469.db2.gz HJDDBTIVQQFAAR-DAXOMENPSA-N -1 1 366.437 2.259 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833737144 605809125 /nfs/dbraw/zinc/80/91/25/605809125.db2.gz AUHAZBXZQPOGBN-UHFFFAOYSA-N -1 1 367.354 2.252 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2C1 ZINC000834058391 605877851 /nfs/dbraw/zinc/87/78/51/605877851.db2.gz VHSQXVTXUVZXLR-UHFFFAOYSA-N -1 1 353.338 2.353 20 0 FEADMM O=C([O-])N1CCC2(CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C2)CC1 ZINC000834091227 605910354 /nfs/dbraw/zinc/91/03/54/605910354.db2.gz JMYFJCSOFYTKSL-UHFFFAOYSA-N -1 1 355.398 2.078 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCc1cc(F)cc(F)c1 ZINC000832234623 605938406 /nfs/dbraw/zinc/93/84/06/605938406.db2.gz FKUVXKNWNYEEND-MQVJKMGUSA-N -1 1 367.396 2.234 20 0 FEADMM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170786 605997398 /nfs/dbraw/zinc/99/73/98/605997398.db2.gz QMMUDNUYXJVPKE-HIFRSBDPSA-N -1 1 361.442 2.018 20 0 FEADMM O=C(Cc1ccon1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823115880 606022168 /nfs/dbraw/zinc/02/21/68/606022168.db2.gz WJAYRUKLTYCTGA-UHFFFAOYSA-N -1 1 366.406 2.442 20 0 FEADMM Cc1ncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC000822467489 606067913 /nfs/dbraw/zinc/06/79/13/606067913.db2.gz NQSMPJVSDUAEHM-AATRIKPKSA-N -1 1 358.431 2.235 20 0 FEADMM Cc1ncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC000822467489 606067919 /nfs/dbraw/zinc/06/79/19/606067919.db2.gz NQSMPJVSDUAEHM-AATRIKPKSA-N -1 1 358.431 2.235 20 0 FEADMM O=C([N-]C[C@H]1CCCN(Cc2nccn2CC(F)(F)F)C1)C(F)(F)F ZINC000810070966 674529487 /nfs/dbraw/zinc/52/94/87/674529487.db2.gz YXKCWIAUWJMECZ-SNVBAGLBSA-N -1 1 372.313 2.336 20 0 FEADMM CCc1oc(C(=O)OC)cc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000821564079 606130417 /nfs/dbraw/zinc/13/04/17/606130417.db2.gz SPTANUOMGRSKGV-UHFFFAOYSA-N -1 1 362.367 2.227 20 0 FEADMM Cc1ccc([C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000822230605 606162827 /nfs/dbraw/zinc/16/28/27/606162827.db2.gz LHXHOYKKTXBXHT-CQSZACIVSA-N -1 1 352.402 2.181 20 0 FEADMM Cc1ccc([C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000822230605 606162829 /nfs/dbraw/zinc/16/28/29/606162829.db2.gz LHXHOYKKTXBXHT-CQSZACIVSA-N -1 1 352.402 2.181 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000822613671 606162922 /nfs/dbraw/zinc/16/29/22/606162922.db2.gz FOLHVHIHMKXMNR-GFCCVEGCSA-N -1 1 358.793 2.063 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000822613671 606162923 /nfs/dbraw/zinc/16/29/23/606162923.db2.gz FOLHVHIHMKXMNR-GFCCVEGCSA-N -1 1 358.793 2.063 20 0 FEADMM Cc1[nH]c2ccc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)cc2c1C ZINC000822010240 606171120 /nfs/dbraw/zinc/17/11/20/606171120.db2.gz URXLMVXDJBPZDZ-UHFFFAOYSA-N -1 1 365.401 2.020 20 0 FEADMM Cc1[nH]c2ccc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)cc2c1C ZINC000822010240 606171122 /nfs/dbraw/zinc/17/11/22/606171122.db2.gz URXLMVXDJBPZDZ-UHFFFAOYSA-N -1 1 365.401 2.020 20 0 FEADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820716312 606171672 /nfs/dbraw/zinc/17/16/72/606171672.db2.gz IRTGRFBDMAEUGS-IINYFYTJSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820716312 606171674 /nfs/dbraw/zinc/17/16/74/606171674.db2.gz IRTGRFBDMAEUGS-IINYFYTJSA-N -1 1 370.392 2.354 20 0 FEADMM Cc1ccsc1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810087859 674530727 /nfs/dbraw/zinc/53/07/27/674530727.db2.gz BUKZLLNAJMXWCU-SNVBAGLBSA-N -1 1 370.418 2.136 20 0 FEADMM CCOc1ccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1OC ZINC000821417783 606237371 /nfs/dbraw/zinc/23/73/71/606237371.db2.gz RQGQOAAAGGVRSX-UHFFFAOYSA-N -1 1 374.426 2.316 20 0 FEADMM CCOc1ccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1OC ZINC000821417783 606237374 /nfs/dbraw/zinc/23/73/74/606237374.db2.gz RQGQOAAAGGVRSX-UHFFFAOYSA-N -1 1 374.426 2.316 20 0 FEADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc2c1O[C@H](C)C2 ZINC000821702861 606296736 /nfs/dbraw/zinc/29/67/36/606296736.db2.gz DJVYLMBRPYSOGO-SECBINFHSA-N -1 1 367.365 2.157 20 0 FEADMM CC[C@@H](C)CN(CC)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820868898 606300319 /nfs/dbraw/zinc/30/03/19/606300319.db2.gz CFBFXHDCUQREGQ-SECBINFHSA-N -1 1 350.448 2.197 20 0 FEADMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)NC1=S ZINC000822361912 606393887 /nfs/dbraw/zinc/39/38/87/606393887.db2.gz KIKALLVXFMBGRJ-FLIBITNWSA-N -1 1 368.447 2.499 20 0 FEADMM O=C(NCCCNc1cc(-c2nnn[n-]2)nc2ccccc21)C1CCC1 ZINC000823191353 606426587 /nfs/dbraw/zinc/42/65/87/606426587.db2.gz KFROGFRJAUUTPR-UHFFFAOYSA-N -1 1 351.414 2.133 20 0 FEADMM O=C(NCCCNc1cc(-c2nn[n-]n2)nc2ccccc21)C1CCC1 ZINC000823191353 606426588 /nfs/dbraw/zinc/42/65/88/606426588.db2.gz KFROGFRJAUUTPR-UHFFFAOYSA-N -1 1 351.414 2.133 20 0 FEADMM Clc1ccc(NCc2cccnc2-n2cccn2)nc1-c1nnn[n-]1 ZINC000822578130 606452740 /nfs/dbraw/zinc/45/27/40/606452740.db2.gz DJUNKBLFRJUDNI-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2cccnc2-n2cccn2)nc1-c1nn[n-]n1 ZINC000822578130 606452742 /nfs/dbraw/zinc/45/27/42/606452742.db2.gz DJUNKBLFRJUDNI-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM CN(Cc1ccc([S@](C)=O)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821612244 606477730 /nfs/dbraw/zinc/47/77/30/606477730.db2.gz OJNMEHKPJQTVES-QHCPKHFHSA-N -1 1 368.875 2.350 20 0 FEADMM CN(Cc1ccc([S@](C)=O)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821612244 606477732 /nfs/dbraw/zinc/47/77/32/606477732.db2.gz OJNMEHKPJQTVES-QHCPKHFHSA-N -1 1 368.875 2.350 20 0 FEADMM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823299151 606517598 /nfs/dbraw/zinc/51/75/98/606517598.db2.gz JYFHCQRRWNZNAS-UHFFFAOYSA-N -1 1 372.385 2.446 20 0 FEADMM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823299151 606517599 /nfs/dbraw/zinc/51/75/99/606517599.db2.gz JYFHCQRRWNZNAS-UHFFFAOYSA-N -1 1 372.385 2.446 20 0 FEADMM O=C(NCc1ccc(N2CCCCC2)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823252982 606526859 /nfs/dbraw/zinc/52/68/59/606526859.db2.gz CEYGKOBJNRDRSV-UHFFFAOYSA-N -1 1 369.454 2.244 20 0 FEADMM CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000820203075 606546766 /nfs/dbraw/zinc/54/67/66/606546766.db2.gz PJOIWZOEEKBZCC-SNVBAGLBSA-N -1 1 373.442 2.454 20 0 FEADMM CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC000820203075 606546768 /nfs/dbraw/zinc/54/67/68/606546768.db2.gz PJOIWZOEEKBZCC-SNVBAGLBSA-N -1 1 373.442 2.454 20 0 FEADMM O=C(NCCOc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823216061 606554436 /nfs/dbraw/zinc/55/44/36/606554436.db2.gz XRTCDDSTUPEYNI-UHFFFAOYSA-N -1 1 351.338 2.015 20 0 FEADMM O=C(NCCOc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823216061 606554437 /nfs/dbraw/zinc/55/44/37/606554437.db2.gz XRTCDDSTUPEYNI-UHFFFAOYSA-N -1 1 351.338 2.015 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(C(C)C)CC1 ZINC000822004234 606605611 /nfs/dbraw/zinc/60/56/11/606605611.db2.gz CSTUQCVMTZXHGY-UHFFFAOYSA-N -1 1 358.446 2.069 20 0 FEADMM CC(C)Oc1cccc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000820178183 606646708 /nfs/dbraw/zinc/64/67/08/606646708.db2.gz JWCIAUYHSOQNDU-UHFFFAOYSA-N -1 1 353.382 2.335 20 0 FEADMM CC(C)Oc1cccc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000820178183 606646709 /nfs/dbraw/zinc/64/67/09/606646709.db2.gz JWCIAUYHSOQNDU-UHFFFAOYSA-N -1 1 353.382 2.335 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000823435892 606649116 /nfs/dbraw/zinc/64/91/16/606649116.db2.gz CSGAARZTZGZTCJ-LIRRHRJNSA-N -1 1 363.377 2.045 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000823435892 606649117 /nfs/dbraw/zinc/64/91/17/606649117.db2.gz CSGAARZTZGZTCJ-LIRRHRJNSA-N -1 1 363.377 2.045 20 0 FEADMM Cc1ccc(C)c(OCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822231666 606652980 /nfs/dbraw/zinc/65/29/80/606652980.db2.gz CHMMVNPMOUZDDU-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM Cc1ccc(C)c(OCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822231666 606652981 /nfs/dbraw/zinc/65/29/81/606652981.db2.gz CHMMVNPMOUZDDU-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(CC(C)C)CC1 ZINC000822005457 606811441 /nfs/dbraw/zinc/81/14/41/606811441.db2.gz RMFRLTGNPUEFQU-UHFFFAOYSA-N -1 1 372.473 2.459 20 0 FEADMM CC(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820067210 606843574 /nfs/dbraw/zinc/84/35/74/606843574.db2.gz GJXKKJGGYZQKKZ-GFCCVEGCSA-N -1 1 353.423 2.205 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC2(CCCC2)CC1 ZINC000823606771 606844809 /nfs/dbraw/zinc/84/48/09/606844809.db2.gz MBIARNATLLTLMD-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM COC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)s1 ZINC000821669267 606873433 /nfs/dbraw/zinc/87/34/33/606873433.db2.gz DBGWNJBBWYEEIA-UHFFFAOYSA-N -1 1 367.390 2.078 20 0 FEADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC000822945470 606965187 /nfs/dbraw/zinc/96/51/87/606965187.db2.gz GPWFYCAFMQZUAV-SNVBAGLBSA-N -1 1 357.395 2.399 20 0 FEADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC000822945470 606965188 /nfs/dbraw/zinc/96/51/88/606965188.db2.gz GPWFYCAFMQZUAV-SNVBAGLBSA-N -1 1 357.395 2.399 20 0 FEADMM CCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCC1 ZINC000821034528 607019894 /nfs/dbraw/zinc/01/98/94/607019894.db2.gz OMVHCXLVALTTCT-UHFFFAOYSA-N -1 1 362.459 2.389 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c2cnn(C(C)C)c2n1 ZINC000822182907 607024273 /nfs/dbraw/zinc/02/42/73/607024273.db2.gz CVFBEENSHWNTAB-UHFFFAOYSA-N -1 1 369.414 2.210 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c2cnn(C(C)C)c2n1 ZINC000822182907 607024274 /nfs/dbraw/zinc/02/42/74/607024274.db2.gz CVFBEENSHWNTAB-UHFFFAOYSA-N -1 1 369.414 2.210 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)n1-c1nccs1 ZINC000822184336 607110354 /nfs/dbraw/zinc/11/03/54/607110354.db2.gz SCAUADJPDWMDJF-UHFFFAOYSA-N -1 1 372.439 2.440 20 0 FEADMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)n1-c1nccs1 ZINC000822184336 607110356 /nfs/dbraw/zinc/11/03/56/607110356.db2.gz SCAUADJPDWMDJF-UHFFFAOYSA-N -1 1 372.439 2.440 20 0 FEADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[nH]n1 ZINC000820187561 607110972 /nfs/dbraw/zinc/11/09/72/607110972.db2.gz HEUUCSUPZKEUDC-UHFFFAOYSA-N -1 1 367.822 2.167 20 0 FEADMM O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823589369 607113776 /nfs/dbraw/zinc/11/37/76/607113776.db2.gz WLXPEFJRKOEJAF-UHFFFAOYSA-N -1 1 363.374 2.016 20 0 FEADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820882209 607186730 /nfs/dbraw/zinc/18/67/30/607186730.db2.gz MISYJJKANHLXLH-YPMHNXCESA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820882209 607186731 /nfs/dbraw/zinc/18/67/31/607186731.db2.gz MISYJJKANHLXLH-YPMHNXCESA-N -1 1 372.429 2.086 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cccc2nsnc21 ZINC000826418419 607863747 /nfs/dbraw/zinc/86/37/47/607863747.db2.gz GKBPKTIOQNZZKG-UHFFFAOYSA-N -1 1 371.357 2.028 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cccc2nsnc21 ZINC000826418419 607863748 /nfs/dbraw/zinc/86/37/48/607863748.db2.gz GKBPKTIOQNZZKG-UHFFFAOYSA-N -1 1 371.357 2.028 20 0 FEADMM O=C(CCn1ccnc1-c1nnn[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000826409476 607868650 /nfs/dbraw/zinc/86/86/50/607868650.db2.gz ATMCBWJYJQLSMR-UHFFFAOYSA-N -1 1 351.292 2.111 20 0 FEADMM O=C(CCn1ccnc1-c1nn[n-]n1)Nc1cccc(C(F)(F)F)c1 ZINC000826409476 607868651 /nfs/dbraw/zinc/86/86/51/607868651.db2.gz ATMCBWJYJQLSMR-UHFFFAOYSA-N -1 1 351.292 2.111 20 0 FEADMM CCc1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825723260 607874426 /nfs/dbraw/zinc/87/44/26/607874426.db2.gz VSNZPQMVDQYUSB-CYBMUJFWSA-N -1 1 358.373 2.387 20 0 FEADMM CCc1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825723260 607874427 /nfs/dbraw/zinc/87/44/27/607874427.db2.gz VSNZPQMVDQYUSB-CYBMUJFWSA-N -1 1 358.373 2.387 20 0 FEADMM CCOC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000825493298 607897299 /nfs/dbraw/zinc/89/72/99/607897299.db2.gz KJYFPQRLLILWGP-AWEZNQCLSA-N -1 1 352.398 2.096 20 0 FEADMM CCOC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000825493298 607897300 /nfs/dbraw/zinc/89/73/00/607897300.db2.gz KJYFPQRLLILWGP-AWEZNQCLSA-N -1 1 352.398 2.096 20 0 FEADMM CN(c1cccc(-c2nnn[n-]2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000826004139 607901847 /nfs/dbraw/zinc/90/18/47/607901847.db2.gz KJFUPAFZWIJWJK-UHFFFAOYSA-N -1 1 359.434 2.097 20 0 FEADMM CN(c1cccc(-c2nn[n-]n2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000826004139 607901848 /nfs/dbraw/zinc/90/18/48/607901848.db2.gz KJFUPAFZWIJWJK-UHFFFAOYSA-N -1 1 359.434 2.097 20 0 FEADMM CC(C)CSCCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824275501 607907442 /nfs/dbraw/zinc/90/74/42/607907442.db2.gz VDYQLEVKRLGRSZ-UHFFFAOYSA-N -1 1 373.479 2.063 20 0 FEADMM CN(c1nc(COC(=O)c2sccc2-c2nn[n-]n2)cs1)C1CC1 ZINC000826010441 607972473 /nfs/dbraw/zinc/97/24/73/607972473.db2.gz IXMSWYQMIQEAIG-UHFFFAOYSA-N -1 1 362.440 2.340 20 0 FEADMM COc1ccc(OC)c([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826211043 607988248 /nfs/dbraw/zinc/98/82/48/607988248.db2.gz NFBNQFWVLXWFLZ-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc(OC)c([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826211043 607988249 /nfs/dbraw/zinc/98/82/49/607988249.db2.gz NFBNQFWVLXWFLZ-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1-c1ccccc1C ZINC000826305146 607988714 /nfs/dbraw/zinc/98/87/14/607988714.db2.gz MPKVOPFGEIBJKE-UHFFFAOYSA-N -1 1 351.399 2.005 20 0 FEADMM Cc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1-c1ccccc1C ZINC000826305146 607988715 /nfs/dbraw/zinc/98/87/15/607988715.db2.gz MPKVOPFGEIBJKE-UHFFFAOYSA-N -1 1 351.399 2.005 20 0 FEADMM COc1cc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000826181095 608136868 /nfs/dbraw/zinc/13/68/68/608136868.db2.gz KRVGTFALORKEET-UHFFFAOYSA-N -1 1 362.367 2.173 20 0 FEADMM COc1cc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000826181095 608136869 /nfs/dbraw/zinc/13/68/69/608136869.db2.gz KRVGTFALORKEET-UHFFFAOYSA-N -1 1 362.367 2.173 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000826425142 608147953 /nfs/dbraw/zinc/14/79/53/608147953.db2.gz REUBFKOYTVSSLQ-UHFFFAOYSA-N -1 1 371.710 2.374 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000826425142 608147954 /nfs/dbraw/zinc/14/79/54/608147954.db2.gz REUBFKOYTVSSLQ-UHFFFAOYSA-N -1 1 371.710 2.374 20 0 FEADMM O=S(=O)(N[C@H]1CC12CCCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488308 608156657 /nfs/dbraw/zinc/15/66/57/608156657.db2.gz MXYQTBKVXUMMLC-ZDUSSCGKSA-N -1 1 351.407 2.007 20 0 FEADMM CC(C)(C)OC(=O)NC(C)(C)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000824162786 608199661 /nfs/dbraw/zinc/19/96/61/608199661.db2.gz OBQDPUJNXMGTPU-UHFFFAOYSA-N -1 1 367.431 2.388 20 0 FEADMM COCc1cccc(OCC2(Cn3ccnc3-c3nnn[n-]3)CCC2)c1 ZINC000826164963 608292582 /nfs/dbraw/zinc/29/25/82/608292582.db2.gz YXMPPFZKWDGYQN-UHFFFAOYSA-N -1 1 354.414 2.459 20 0 FEADMM COCc1cccc(OCC2(Cn3ccnc3-c3nn[n-]n3)CCC2)c1 ZINC000826164963 608292583 /nfs/dbraw/zinc/29/25/83/608292583.db2.gz YXMPPFZKWDGYQN-UHFFFAOYSA-N -1 1 354.414 2.459 20 0 FEADMM CCOCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825599595 608347377 /nfs/dbraw/zinc/34/73/77/608347377.db2.gz OAJDMLBDXMYGJI-UHFFFAOYSA-N -1 1 353.448 2.217 20 0 FEADMM CCOCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825599595 608347378 /nfs/dbraw/zinc/34/73/78/608347378.db2.gz OAJDMLBDXMYGJI-UHFFFAOYSA-N -1 1 353.448 2.217 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2F)C[C@H](C)O1 ZINC000824991420 608399833 /nfs/dbraw/zinc/39/98/33/608399833.db2.gz AWSBNLQBADHIHT-PHIMTYICSA-N -1 1 370.392 2.153 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2F)C[C@H](C)O1 ZINC000824991420 608399834 /nfs/dbraw/zinc/39/98/34/608399834.db2.gz AWSBNLQBADHIHT-PHIMTYICSA-N -1 1 370.392 2.153 20 0 FEADMM Fc1ccc(Br)c(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826373289 608402301 /nfs/dbraw/zinc/40/23/01/608402301.db2.gz HBPLPRZTZNMVKA-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1ccc(Br)c(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826373289 608402302 /nfs/dbraw/zinc/40/23/02/608402302.db2.gz HBPLPRZTZNMVKA-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1cc(Br)cc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826372047 608403626 /nfs/dbraw/zinc/40/36/26/608403626.db2.gz DZKWEZDEQVXYNW-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1cc(Br)cc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826372047 608403627 /nfs/dbraw/zinc/40/36/27/608403627.db2.gz DZKWEZDEQVXYNW-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)CO2)c1 ZINC000826284729 608429852 /nfs/dbraw/zinc/42/98/52/608429852.db2.gz CTPHDXSKPFRJBB-CJNGLKHVSA-N -1 1 351.414 2.240 20 0 FEADMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)CO2)c1 ZINC000826284729 608429854 /nfs/dbraw/zinc/42/98/54/608429854.db2.gz CTPHDXSKPFRJBB-CJNGLKHVSA-N -1 1 351.414 2.240 20 0 FEADMM CCn1c2ccccc2nc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825787283 608430440 /nfs/dbraw/zinc/43/04/40/608430440.db2.gz AJDXABZPKATHTK-HNNXBMFYSA-N -1 1 361.413 2.368 20 0 FEADMM CCn1c2ccccc2nc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825787283 608430442 /nfs/dbraw/zinc/43/04/42/608430442.db2.gz AJDXABZPKATHTK-HNNXBMFYSA-N -1 1 361.413 2.368 20 0 FEADMM Cc1c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)sc2nccn12 ZINC000826234893 608494131 /nfs/dbraw/zinc/49/41/31/608494131.db2.gz SOMVAWINENAKFH-UHFFFAOYSA-N -1 1 371.430 2.088 20 0 FEADMM Cc1c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)sc2nccn12 ZINC000826234893 608494133 /nfs/dbraw/zinc/49/41/33/608494133.db2.gz SOMVAWINENAKFH-UHFFFAOYSA-N -1 1 371.430 2.088 20 0 FEADMM CC[C@H](CC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825113556 608557929 /nfs/dbraw/zinc/55/79/29/608557929.db2.gz BBARHZDBOBIQDA-CYBMUJFWSA-N -1 1 374.493 2.170 20 0 FEADMM CC[C@H](CC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825113556 608557930 /nfs/dbraw/zinc/55/79/30/608557930.db2.gz BBARHZDBOBIQDA-CYBMUJFWSA-N -1 1 374.493 2.170 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000824114509 608584908 /nfs/dbraw/zinc/58/49/08/608584908.db2.gz VIQVOWIXSYOZGK-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000824114509 608584909 /nfs/dbraw/zinc/58/49/09/608584909.db2.gz VIQVOWIXSYOZGK-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM COC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(Cl)cc1 ZINC000826138126 608609294 /nfs/dbraw/zinc/60/92/94/608609294.db2.gz FRVDYIPJOPPJOV-UHFFFAOYSA-N -1 1 361.789 2.288 20 0 FEADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(Cl)cc1 ZINC000826138126 608609298 /nfs/dbraw/zinc/60/92/98/608609298.db2.gz FRVDYIPJOPPJOV-UHFFFAOYSA-N -1 1 361.789 2.288 20 0 FEADMM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1nccn1CC(F)(F)F ZINC000825966109 608677750 /nfs/dbraw/zinc/67/77/50/608677750.db2.gz OJTVQWVODCVVBC-UHFFFAOYSA-N -1 1 357.365 2.319 20 0 FEADMM c1cc(-c2nn[n-]n2)sc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000826519030 608746560 /nfs/dbraw/zinc/74/65/60/608746560.db2.gz HHKFWTUFYAXJCJ-UHFFFAOYSA-N -1 1 364.438 2.203 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477971 609173209 /nfs/dbraw/zinc/17/32/09/609173209.db2.gz QNRQEGVQQOHFPY-ZDUSSCGKSA-N -1 1 373.779 2.272 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477971 609173211 /nfs/dbraw/zinc/17/32/11/609173211.db2.gz QNRQEGVQQOHFPY-ZDUSSCGKSA-N -1 1 373.779 2.272 20 0 FEADMM CCOc1cc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1O ZINC000825615759 609256216 /nfs/dbraw/zinc/25/62/16/609256216.db2.gz JMYRKMIKYXEMDO-XBXARRHUSA-N -1 1 367.365 2.329 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC000826344891 609267262 /nfs/dbraw/zinc/26/72/62/609267262.db2.gz VRVTYBWUWNLBEW-FJVVXJACSA-N -1 1 364.409 2.410 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC000826344891 609267263 /nfs/dbraw/zinc/26/72/63/609267263.db2.gz VRVTYBWUWNLBEW-FJVVXJACSA-N -1 1 364.409 2.410 20 0 FEADMM O=C(C[C@H]1C=CCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826404234 609288049 /nfs/dbraw/zinc/28/80/49/609288049.db2.gz TXDWWZKFAYQWAO-NSHDSACASA-N -1 1 353.361 2.486 20 0 FEADMM CCN(C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccc(F)cc1 ZINC000825377116 609296764 /nfs/dbraw/zinc/29/67/64/609296764.db2.gz UCQJGVIGAKYFPX-UHFFFAOYSA-N -1 1 374.401 2.495 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000826279983 609339902 /nfs/dbraw/zinc/33/99/02/609339902.db2.gz KCGJZLXKMIKEKQ-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM CCN(CC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825417751 609359305 /nfs/dbraw/zinc/35/93/05/609359305.db2.gz UOJQJCPRHJPYGD-UHFFFAOYSA-N -1 1 370.392 2.455 20 0 FEADMM CCOC(=O)[C@H]1CCC[C@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825499430 609407722 /nfs/dbraw/zinc/40/77/22/609407722.db2.gz MYKSUYILHGPCAT-QWRGUYRKSA-N -1 1 364.427 2.455 20 0 FEADMM C[C@](NC(=O)c1ccc(-c2nnn[n-]2)nc1)(c1ccccc1)C(F)(F)F ZINC000824513232 609604259 /nfs/dbraw/zinc/60/42/59/609604259.db2.gz AHIFCPHIVKFDFM-HNNXBMFYSA-N -1 1 362.315 2.469 20 0 FEADMM C[C@](NC(=O)c1ccc(-c2nn[n-]n2)nc1)(c1ccccc1)C(F)(F)F ZINC000824513232 609604261 /nfs/dbraw/zinc/60/42/61/609604261.db2.gz AHIFCPHIVKFDFM-HNNXBMFYSA-N -1 1 362.315 2.469 20 0 FEADMM O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000811576965 674614948 /nfs/dbraw/zinc/61/49/48/674614948.db2.gz YIGLHWDXQWPXDY-WFASDCNBSA-N -1 1 364.195 2.379 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)c1 ZINC000811700893 674620917 /nfs/dbraw/zinc/62/09/17/674620917.db2.gz IMNHXEAZOYVXSN-NSHDSACASA-N -1 1 367.398 2.395 20 0 FEADMM CSc1nc(CNC(=O)c2oc(Br)cc2C)cc(=O)[n-]1 ZINC000640656591 677185365 /nfs/dbraw/zinc/18/53/65/677185365.db2.gz DHYOTPZUMUZZPS-UHFFFAOYSA-N -1 1 358.217 2.498 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cn2sc3ccccc3c2=O)C1)C(F)(F)F ZINC000811785914 674627736 /nfs/dbraw/zinc/62/77/36/674627736.db2.gz KCYHCRSKGSOUJR-NSHDSACASA-N -1 1 373.400 2.411 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c([O-])c1 ZINC000561039356 674631666 /nfs/dbraw/zinc/63/16/66/674631666.db2.gz GMYXLLZDLFWVLA-LLVKDONJSA-N -1 1 359.348 2.016 20 0 FEADMM O=C(NC[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1)C(F)(F)F ZINC000812281786 674661951 /nfs/dbraw/zinc/66/19/51/674661951.db2.gz MTBNMKSYGXINRH-MRVPVSSYSA-N -1 1 366.286 2.201 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)Cc2ccccc2Br)n1 ZINC000561506138 674673650 /nfs/dbraw/zinc/67/36/50/674673650.db2.gz QFCKFKUUUPCNQJ-MRVPVSSYSA-N -1 1 360.233 2.321 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cc1 ZINC000561694780 674691044 /nfs/dbraw/zinc/69/10/44/674691044.db2.gz ZMHTXZHCYUVHLU-UHFFFAOYSA-N -1 1 359.407 2.079 20 0 FEADMM Cc1ccc(/C=C/C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000813283029 674733625 /nfs/dbraw/zinc/73/36/25/674733625.db2.gz HGBLZXVPGATKTN-PSKZRQQASA-N -1 1 355.360 2.320 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000813454107 674746934 /nfs/dbraw/zinc/74/69/34/674746934.db2.gz LFRUMGNYPVYCPK-INIZCTEOSA-N -1 1 360.801 2.055 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)[nH]n1 ZINC000562418339 674753777 /nfs/dbraw/zinc/75/37/77/674753777.db2.gz MVGKDTTVDKAPCJ-SNVBAGLBSA-N -1 1 352.416 2.296 20 0 FEADMM Cc1cnc(CC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)s1 ZINC000813634653 674763502 /nfs/dbraw/zinc/76/35/02/674763502.db2.gz CHYYTOSYXTVEGD-FWDPORAESA-N -1 1 363.405 2.298 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@@H]1N1CCOCC1)c1sccc1Cl ZINC000562548058 674768802 /nfs/dbraw/zinc/76/88/02/674768802.db2.gz KVRQDRXAQQJDQK-OLZOCXBDSA-N -1 1 364.920 2.323 20 0 FEADMM COCC(C)(C)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000813840662 674783925 /nfs/dbraw/zinc/78/39/25/674783925.db2.gz QGPMGAIFNBUTKI-SRVKXCTJSA-N -1 1 367.412 2.146 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc3ccccn3n2)o1 ZINC000562866018 674817766 /nfs/dbraw/zinc/81/77/66/674817766.db2.gz WZDOASMZFBRKJR-UHFFFAOYSA-N -1 1 362.411 2.256 20 0 FEADMM CCCCCC[C@@H](C)NC(C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814376016 674835201 /nfs/dbraw/zinc/83/52/01/674835201.db2.gz XTRAWRMBQMCJEH-VEOJIXDASA-N -1 1 355.504 2.099 20 0 FEADMM CCCCCC[C@H](C)NC(C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814376014 674835210 /nfs/dbraw/zinc/83/52/10/674835210.db2.gz XTRAWRMBQMCJEH-FWJVZWRSSA-N -1 1 355.504 2.099 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@@]12CCCO2 ZINC000564412105 675012496 /nfs/dbraw/zinc/01/24/96/675012496.db2.gz WIKMNGIAIQIQHZ-INMHGKMJSA-N -1 1 351.424 2.438 20 0 FEADMM CC(C)c1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000022409679 670040396 /nfs/dbraw/zinc/04/03/96/670040396.db2.gz UNYAPDAFRXCODT-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C)n2)c1 ZINC000025640682 670064071 /nfs/dbraw/zinc/06/40/71/670064071.db2.gz IPIUSRCOGQYCTI-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cn(Cc2ccccc2)nn1 ZINC000029284586 670098508 /nfs/dbraw/zinc/09/85/08/670098508.db2.gz WDIFTUVWHZQGMM-UHFFFAOYSA-N -1 1 354.317 2.449 20 0 FEADMM COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000029924054 670105270 /nfs/dbraw/zinc/10/52/70/670105270.db2.gz SIYMQAWDGNOHRK-UHFFFAOYSA-N -1 1 352.387 2.387 20 0 FEADMM Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000042263663 670160626 /nfs/dbraw/zinc/16/06/26/670160626.db2.gz AYSOAMQXAKQTNX-UHFFFAOYSA-N -1 1 356.400 2.318 20 0 FEADMM O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571234 670205825 /nfs/dbraw/zinc/20/58/25/670205825.db2.gz IJCMELOLWLNEPI-UHFFFAOYSA-N -1 1 355.198 2.292 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000047367743 670240388 /nfs/dbraw/zinc/24/03/88/670240388.db2.gz FGCBYWAXSMNJIK-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM CCCCNC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000052171942 670309808 /nfs/dbraw/zinc/30/98/08/670309808.db2.gz DULHEDUOAXYQED-ZDUSSCGKSA-N -1 1 370.471 2.300 20 0 FEADMM CCCN(CC(N)=O)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000817055802 675095124 /nfs/dbraw/zinc/09/51/24/675095124.db2.gz VKCHDLPXZKZQPB-UHFFFAOYSA-N -1 1 351.403 2.077 20 0 FEADMM Cc1nc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)oc1C ZINC000058310755 670376678 /nfs/dbraw/zinc/37/66/78/670376678.db2.gz WBYRZEIBVRZOGN-UHFFFAOYSA-N -1 1 356.400 2.318 20 0 FEADMM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCCCC1=O ZINC000565120213 675096135 /nfs/dbraw/zinc/09/61/35/675096135.db2.gz CMAHRRYQZIJRTM-SNVBAGLBSA-N -1 1 355.232 2.286 20 0 FEADMM COCCN1C(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)[N-]C1=S ZINC000060861041 670390024 /nfs/dbraw/zinc/39/00/24/670390024.db2.gz JZMOZMWXAJTGRX-CLFYSBASSA-N -1 1 374.249 2.179 20 0 FEADMM O=C(COC(=O)c1cc(F)c(F)c(F)c1F)[N-]C(=O)c1ccccc1 ZINC000061351439 670394474 /nfs/dbraw/zinc/39/44/74/670394474.db2.gz LCHAMUFLFNTMIA-UHFFFAOYSA-N -1 1 355.243 2.356 20 0 FEADMM Cc1[nH]nc(C(=O)[N-]NC(=S)Nc2ccccc2C(C)C)c1[N+](=O)[O-] ZINC000066123515 670438093 /nfs/dbraw/zinc/43/80/93/670438093.db2.gz LAFHKSOWKZWMND-UHFFFAOYSA-N -1 1 362.415 2.381 20 0 FEADMM COc1cccc(COCC(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000066639389 670445702 /nfs/dbraw/zinc/44/57/02/670445702.db2.gz SFXBEVYYOBBNRA-UHFFFAOYSA-N -1 1 350.444 2.363 20 0 FEADMM COc1ccc(O[C@H](C)C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067093190 670453359 /nfs/dbraw/zinc/45/33/59/670453359.db2.gz ZEKNZRNJIANLBM-LLVKDONJSA-N -1 1 362.455 2.410 20 0 FEADMM Cn1c(CCNC(=O)c2ccc3[nH]c(C(F)F)nc3c2)n[n-]c1=S ZINC000067118988 670453779 /nfs/dbraw/zinc/45/37/79/670453779.db2.gz ZGAUWSSUKWTMGY-UHFFFAOYSA-N -1 1 352.370 2.264 20 0 FEADMM N#C[C@@H](C(=O)COCC1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833479 670489511 /nfs/dbraw/zinc/48/95/11/670489511.db2.gz ZXVBQRLSYYBAPS-LBPRGKRZSA-N -1 1 357.435 2.466 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc4ccccc4o3)[C@H]2C1 ZINC000569167024 670518968 /nfs/dbraw/zinc/51/89/68/670518968.db2.gz ZMNSODRBAKYUGD-HRCADAONSA-N -1 1 362.451 2.358 20 0 FEADMM O=C([N-]NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1F ZINC000082991289 670652465 /nfs/dbraw/zinc/65/24/65/670652465.db2.gz RBMZAGBKRQSBOO-UHFFFAOYSA-N -1 1 359.748 2.135 20 0 FEADMM O=C(NC[C@@H]1Cc2ccccc2O1)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000083178553 670656525 /nfs/dbraw/zinc/65/65/25/670656525.db2.gz WELJQJLVBPSPPI-LBPRGKRZSA-N -1 1 363.776 2.427 20 0 FEADMM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000084936889 670677687 /nfs/dbraw/zinc/67/76/87/670677687.db2.gz GZOYIBRBAHOJNK-UHFFFAOYSA-N -1 1 354.387 2.331 20 0 FEADMM CCOCCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493890 675139239 /nfs/dbraw/zinc/13/92/39/675139239.db2.gz WYTUVGOTYFJPCU-ZDUSSCGKSA-N -1 1 358.360 2.440 20 0 FEADMM CCc1oc(C(=O)[N-]c2nnc(-c3ccccn3)s2)cc1C(=O)OC ZINC000565645309 675139580 /nfs/dbraw/zinc/13/95/80/675139580.db2.gz ATLMWXJPKXPOOY-UHFFFAOYSA-N -1 1 358.379 2.794 20 0 FEADMM Cc1ccc(CC(=O)NC2(c3nn[n-]n3)CCCC2)c(Br)c1 ZINC000571017118 670801770 /nfs/dbraw/zinc/80/17/70/670801770.db2.gz XBCAEQSPZRZCHL-UHFFFAOYSA-N -1 1 364.247 2.399 20 0 FEADMM CC(C)Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000817571936 675148323 /nfs/dbraw/zinc/14/83/23/675148323.db2.gz WWOXILISGKYCSZ-NSHDSACASA-N -1 1 372.208 2.283 20 0 FEADMM CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000817659609 675158873 /nfs/dbraw/zinc/15/88/73/675158873.db2.gz ZIYHVQDAVNTVJI-UHFFFAOYSA-N -1 1 350.415 2.385 20 0 FEADMM CC(C)c1nc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cn1C ZINC000572697780 671033532 /nfs/dbraw/zinc/03/35/32/671033532.db2.gz ZHEIYLDFAKMYEZ-UHFFFAOYSA-N -1 1 359.354 2.321 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1 ZINC000573268644 671102118 /nfs/dbraw/zinc/10/21/18/671102118.db2.gz GZFHKPTVHFOBEG-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OC ZINC000573840027 671171139 /nfs/dbraw/zinc/17/11/39/671171139.db2.gz KLSAMBMNMJBUGG-DGCLKSJQSA-N -1 1 360.476 2.369 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2N2CCOCC2)c(F)c1 ZINC000566136799 675185349 /nfs/dbraw/zinc/18/53/49/675185349.db2.gz AHAMOEYOMDVCMW-HOTGVXAUSA-N -1 1 374.453 2.195 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C)cc2F)[C@H]1n1cccn1 ZINC000566136894 675185375 /nfs/dbraw/zinc/18/53/75/675185375.db2.gz PKIHWNPPOVXJEY-RRFJBIMHSA-N -1 1 371.409 2.167 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000575861035 671326375 /nfs/dbraw/zinc/32/63/75/671326375.db2.gz AUSBKPJCSNHYOZ-PSVSLLHZSA-N -1 1 367.471 2.011 20 0 FEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)c1 ZINC000576021885 671338354 /nfs/dbraw/zinc/33/83/54/671338354.db2.gz LHARUDCJRZSENG-UHFFFAOYSA-N -1 1 364.423 2.294 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2nn(C)c3c2CCCC3)c1Br ZINC000576074230 671342332 /nfs/dbraw/zinc/34/23/32/671342332.db2.gz QVRFYQIUCJRICK-UHFFFAOYSA-N -1 1 352.236 2.021 20 0 FEADMM CC(C)(C)OC[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000576403156 671366249 /nfs/dbraw/zinc/36/62/49/671366249.db2.gz QOTXQDLTLNICAZ-VIFPVBQESA-N -1 1 371.789 2.165 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000576406784 671366706 /nfs/dbraw/zinc/36/67/06/671366706.db2.gz TVBDCRNPAYWLTB-UHFFFAOYSA-N -1 1 363.292 2.139 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2F)o1 ZINC000576801088 671395209 /nfs/dbraw/zinc/39/52/09/671395209.db2.gz MQPYXQSNBDFDLI-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000608955363 675907599 /nfs/dbraw/zinc/90/75/99/675907599.db2.gz MVQNSFZARFTOCP-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1[N-]S(C)(=O)=O ZINC000577353439 671589730 /nfs/dbraw/zinc/58/97/30/671589730.db2.gz QHZPJIOPJXTCQU-AAEUAGOBSA-N -1 1 353.444 2.234 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)o1 ZINC000609351649 675919659 /nfs/dbraw/zinc/91/96/59/675919659.db2.gz KVMVNYLIDPNJDX-UHFFFAOYSA-N -1 1 355.437 2.445 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)[C@@H](C)C(=O)NC3CCCC3)n2)cc1 ZINC000578112515 671641043 /nfs/dbraw/zinc/64/10/43/671641043.db2.gz URKKWEFQCFAVSN-LBPRGKRZSA-N -1 1 362.455 2.001 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)NC3CCCC3)n[n-]2)cc1 ZINC000578112515 671641044 /nfs/dbraw/zinc/64/10/44/671641044.db2.gz URKKWEFQCFAVSN-LBPRGKRZSA-N -1 1 362.455 2.001 20 0 FEADMM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000579364948 671731079 /nfs/dbraw/zinc/73/10/79/671731079.db2.gz GMYTZRGJLGYJKN-QWHCGFSZSA-N -1 1 351.790 2.454 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc1 ZINC000580865271 671841295 /nfs/dbraw/zinc/84/12/95/671841295.db2.gz KRQADGQQASESBN-UHFFFAOYSA-N -1 1 363.395 2.095 20 0 FEADMM O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1c[n-]cn1 ZINC000121521808 671951725 /nfs/dbraw/zinc/95/17/25/671951725.db2.gz QIOJWAYVTLACLI-UHFFFAOYSA-N -1 1 357.391 2.107 20 0 FEADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000582508471 672008141 /nfs/dbraw/zinc/00/81/41/672008141.db2.gz NRFSTJLYZNLZLB-NSCUHMNNSA-N -1 1 352.437 2.168 20 0 FEADMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1c(F)ccc([O-])c1F ZINC000582572973 672014408 /nfs/dbraw/zinc/01/44/08/672014408.db2.gz BOONSBPMOJECGC-UHFFFAOYSA-N -1 1 368.361 2.463 20 0 FEADMM Cc1c(NC(=O)Cc2sc(N)nc2[O-])cnn1-c1cc(C)ccc1C ZINC000125674335 672015175 /nfs/dbraw/zinc/01/51/75/672015175.db2.gz LKWILVZZSKYARG-AWEZNQCLSA-N -1 1 357.439 2.083 20 0 FEADMM C[C@H](CCO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000125854885 672017397 /nfs/dbraw/zinc/01/73/97/672017397.db2.gz WPTHSGRTPCHVNV-GFCCVEGCSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1sc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1Br ZINC000582661797 672023071 /nfs/dbraw/zinc/02/30/71/672023071.db2.gz DGHAOCCNYPMJGL-MRVPVSSYSA-N -1 1 356.249 2.352 20 0 FEADMM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000132792297 672101722 /nfs/dbraw/zinc/10/17/22/672101722.db2.gz LSYGQWJTFUTIGC-AWEZNQCLSA-N -1 1 359.806 2.500 20 0 FEADMM CC(C)C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000583569472 672107936 /nfs/dbraw/zinc/10/79/36/672107936.db2.gz ATDQGUGAPBETKP-CQSZACIVSA-N -1 1 374.890 2.146 20 0 FEADMM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1cnsn1 ZINC000133241993 672107956 /nfs/dbraw/zinc/10/79/56/672107956.db2.gz MEBQFHIMSFBCNK-UHFFFAOYSA-N -1 1 365.216 2.193 20 0 FEADMM CC(C)(C)n1cnc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)n1 ZINC000583667608 672115552 /nfs/dbraw/zinc/11/55/52/672115552.db2.gz WFYOJKBTOZTKOD-UHFFFAOYSA-N -1 1 360.418 2.867 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1(CCOCc2ccccc2)CC1 ZINC000583720894 672120109 /nfs/dbraw/zinc/12/01/09/672120109.db2.gz DINYKCHBSLFPNL-UHFFFAOYSA-N -1 1 365.455 2.231 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)o1 ZINC000584046083 672150338 /nfs/dbraw/zinc/15/03/38/672150338.db2.gz WEOHDOBRKZXYBT-AWEZNQCLSA-N -1 1 373.471 2.182 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)s[n-]1 ZINC000584339286 672178577 /nfs/dbraw/zinc/17/85/77/672178577.db2.gz ZSQCUTBXNVSUFZ-ZJUUUORDSA-N -1 1 367.500 2.231 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC000584452885 672189074 /nfs/dbraw/zinc/18/90/74/672189074.db2.gz DWFRMMAFNQPPIC-UHFFFAOYSA-N -1 1 374.344 2.260 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCC(C)C)c(Br)o1 ZINC000153617021 672201505 /nfs/dbraw/zinc/20/15/05/672201505.db2.gz FKGVJNCBBRQXGT-UHFFFAOYSA-N -1 1 354.222 2.153 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C2CCC2)c(Br)o1 ZINC000157536665 672259900 /nfs/dbraw/zinc/25/99/00/672259900.db2.gz IZLXZHFJIHVKCI-SSDOTTSWSA-N -1 1 366.233 2.296 20 0 FEADMM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1F ZINC000162185212 672302675 /nfs/dbraw/zinc/30/26/75/672302675.db2.gz BOOKTWNRKHXBHL-INIZCTEOSA-N -1 1 357.353 2.216 20 0 FEADMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178745950 672394695 /nfs/dbraw/zinc/39/46/95/672394695.db2.gz QPHSRRASONDOPR-LLVKDONJSA-N -1 1 371.684 2.183 20 0 FEADMM O=C([N-]NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)c(Cl)c1F ZINC000181049438 672421356 /nfs/dbraw/zinc/42/13/56/672421356.db2.gz LMVPCJQSSWCNTL-LBPRGKRZSA-N -1 1 368.723 2.219 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cccc1N(C)C ZINC000181155026 672422700 /nfs/dbraw/zinc/42/27/00/672422700.db2.gz GNXJLVYOECRPMD-UHFFFAOYSA-N -1 1 368.480 2.265 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)c1 ZINC000678621447 672433688 /nfs/dbraw/zinc/43/36/88/672433688.db2.gz KVWLCXSXJRTDCU-UHFFFAOYSA-N -1 1 362.451 2.328 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C)cc2OC)cc1CC(=O)[O-] ZINC000678717034 672438508 /nfs/dbraw/zinc/43/85/08/672438508.db2.gz WWETZFJFQFBGED-UHFFFAOYSA-N -1 1 365.407 2.440 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2OC2CCC2)c1 ZINC000679114285 672467146 /nfs/dbraw/zinc/46/71/46/672467146.db2.gz WZGRKZZDTNGVKH-UHFFFAOYSA-N -1 1 362.407 2.223 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(F)c1 ZINC000588678402 672470762 /nfs/dbraw/zinc/47/07/62/672470762.db2.gz XEKBJHAUFRFCGB-GFCCVEGCSA-N -1 1 355.362 2.255 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c(F)c1 ZINC000588676388 672470880 /nfs/dbraw/zinc/47/08/80/672470880.db2.gz AZAHOKIQWLWCNR-CYBMUJFWSA-N -1 1 357.382 2.063 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cnc(C(C)(C)C)s3)nc2n1 ZINC000588744087 672476665 /nfs/dbraw/zinc/47/66/65/672476665.db2.gz FJNYGFUIPKXFNZ-UHFFFAOYSA-N -1 1 360.443 2.376 20 0 FEADMM CCCCn1cc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])c(C)n1 ZINC000184435150 672499335 /nfs/dbraw/zinc/49/93/35/672499335.db2.gz IDFVAYCTDJASIN-UHFFFAOYSA-N -1 1 350.806 2.425 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3n2C)c1Cl ZINC000185128275 672520213 /nfs/dbraw/zinc/52/02/13/672520213.db2.gz ZYPIKEFHOFRISH-UHFFFAOYSA-N -1 1 367.862 2.174 20 0 FEADMM O=S(=O)([N-]CCn1ccnn1)c1c(Cl)cc(Cl)cc1Cl ZINC000679854102 672532900 /nfs/dbraw/zinc/53/29/00/672532900.db2.gz PDZBNLXHYZUXPD-UHFFFAOYSA-N -1 1 355.634 2.217 20 0 FEADMM CCOC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000186682032 672552198 /nfs/dbraw/zinc/55/21/98/672552198.db2.gz XEIIZLVUTORJNY-SNVBAGLBSA-N -1 1 357.204 2.115 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000188113726 672583783 /nfs/dbraw/zinc/58/37/83/672583783.db2.gz BVKVRJJLRBUZPF-UHFFFAOYSA-N -1 1 352.347 2.110 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1Cl ZINC000680952561 672615635 /nfs/dbraw/zinc/61/56/35/672615635.db2.gz XRPNVTBEEQVGIV-UHFFFAOYSA-N -1 1 369.805 2.290 20 0 FEADMM CN1CCN([C@H](C(=O)Nc2nc(Cl)ccc2[O-])c2ccccc2)CC1 ZINC000189851176 672625025 /nfs/dbraw/zinc/62/50/25/672625025.db2.gz WXXNDDBTDCLUAO-INIZCTEOSA-N -1 1 360.845 2.368 20 0 FEADMM O=C1NCCc2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc21 ZINC000681365017 672653042 /nfs/dbraw/zinc/65/30/42/672653042.db2.gz RKVHNOBXCHOTRN-UHFFFAOYSA-N -1 1 359.432 2.383 20 0 FEADMM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccncc2F)c(C)c1[N+](=O)[O-] ZINC000191781668 672674896 /nfs/dbraw/zinc/67/48/96/672674896.db2.gz XPXHARJWXLNDSW-UHFFFAOYSA-N -1 1 370.318 2.455 20 0 FEADMM O=C(Cc1ccncc1)N[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000192145900 672683079 /nfs/dbraw/zinc/68/30/79/672683079.db2.gz HSRBCLGCPLIUDU-UHFFFAOYSA-N -1 1 370.153 2.126 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3-n3cncn3)ccc2O1 ZINC000592003618 672732055 /nfs/dbraw/zinc/73/20/55/672732055.db2.gz LYNVFHPXRSTVDN-LBPRGKRZSA-N -1 1 356.407 2.392 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592074761 672748379 /nfs/dbraw/zinc/74/83/79/672748379.db2.gz NIFCPJYFHQJTCJ-JTQLQIEISA-N -1 1 368.377 2.357 20 0 FEADMM Cc1cc(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)nc2ccccc12 ZINC000195065296 672774755 /nfs/dbraw/zinc/77/47/55/672774755.db2.gz DFJLIHRZSUAIGE-UHFFFAOYSA-N -1 1 360.357 2.386 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc(Cl)c1[O-] ZINC000683354477 672835201 /nfs/dbraw/zinc/83/52/01/672835201.db2.gz SCNAWAKIVXURGI-CHIMOYNISA-N -1 1 352.818 2.170 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1nn[nH]n1 ZINC000612060060 676066788 /nfs/dbraw/zinc/06/67/88/676066788.db2.gz GZKCEWZVESYTAP-LLVKDONJSA-N -1 1 361.793 2.016 20 0 FEADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C ZINC000683731677 672869913 /nfs/dbraw/zinc/86/99/13/672869913.db2.gz LFQZVAWCTHCCSU-UHFFFAOYSA-N -1 1 362.407 2.444 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CCCOCC1 ZINC000683872454 672880417 /nfs/dbraw/zinc/88/04/17/672880417.db2.gz WTMIJKMKHNKFGK-RNCFNFMXSA-N -1 1 353.785 2.015 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CCCOCC1 ZINC000683872455 672880468 /nfs/dbraw/zinc/88/04/68/672880468.db2.gz WTMIJKMKHNKFGK-TVQRCGJNSA-N -1 1 353.785 2.015 20 0 FEADMM O=C1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)N1 ZINC000683952192 672888941 /nfs/dbraw/zinc/88/89/41/672888941.db2.gz QAKZRABZBDRXKN-QMMMGPOBSA-N -1 1 370.780 2.306 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2C)cc1 ZINC000593281603 672902105 /nfs/dbraw/zinc/90/21/05/672902105.db2.gz JULPSQWTOQSGON-UHFFFAOYSA-N -1 1 350.396 2.051 20 0 FEADMM Cc1nc(CS(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cs1 ZINC000684100272 672904462 /nfs/dbraw/zinc/90/44/62/672904462.db2.gz JUTNXIAUDRDPRF-ABAIWWIYSA-N -1 1 365.480 2.065 20 0 FEADMM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCN(C)Cc2ccc(F)cc2)C1 ZINC000263324542 672931353 /nfs/dbraw/zinc/93/13/53/672931353.db2.gz KIWFOZADBBIGNM-ZFWWWQNUSA-N -1 1 351.422 2.010 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)co1 ZINC000270205611 672947130 /nfs/dbraw/zinc/94/71/30/672947130.db2.gz QZYOCNMJZFDQFC-ZDUSSCGKSA-N -1 1 354.815 2.428 20 0 FEADMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000593636851 672966326 /nfs/dbraw/zinc/96/63/26/672966326.db2.gz WPSPOMOHRXCQMM-ZETCQYMHSA-N -1 1 362.181 2.312 20 0 FEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)CC12CCC(CC1)C2 ZINC000593650766 672971045 /nfs/dbraw/zinc/97/10/45/672971045.db2.gz VFXUMZTZLLYJSH-CKDBGZEDSA-N -1 1 373.515 2.377 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F)c1ccccc1 ZINC000295518641 673007451 /nfs/dbraw/zinc/00/74/51/673007451.db2.gz IJAJBPGBOWGUTJ-JKSUJKDBSA-N -1 1 371.405 2.305 20 0 FEADMM COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000326036190 673051721 /nfs/dbraw/zinc/05/17/21/673051721.db2.gz VEEXPKBRKMCJPF-UHFFFAOYSA-N -1 1 350.327 2.205 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)c(Br)n1C ZINC000717877896 673077367 /nfs/dbraw/zinc/07/73/67/673077367.db2.gz HMWPMMBWUVBAQB-UHFFFAOYSA-N -1 1 362.293 2.492 20 0 FEADMM COC[C@H]1CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000612829684 676100017 /nfs/dbraw/zinc/10/00/17/676100017.db2.gz LWMIJJUXFKADIA-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cccc4ncccc43)no2)o1 ZINC000349717612 673123210 /nfs/dbraw/zinc/12/32/10/673123210.db2.gz LEXMGJPFKAYIJZ-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000594729163 673124798 /nfs/dbraw/zinc/12/47/98/673124798.db2.gz JHKXSXHFCSTIPI-UHFFFAOYSA-N -1 1 357.819 2.110 20 0 FEADMM CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1Br ZINC000594845613 673160325 /nfs/dbraw/zinc/16/03/25/673160325.db2.gz XNLQTUBZEUPAKI-GFCCVEGCSA-N -1 1 364.261 2.383 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cccc(OCCOC)c2)cc1C(=O)[O-] ZINC000392231918 673161795 /nfs/dbraw/zinc/16/17/95/673161795.db2.gz AVRHAWZKKOLWKI-UHFFFAOYSA-N -1 1 368.411 2.032 20 0 FEADMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000594861980 673168786 /nfs/dbraw/zinc/16/87/86/673168786.db2.gz HNGPRDWEWOMTEA-SNVBAGLBSA-N -1 1 374.253 2.080 20 0 FEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000594864582 673170350 /nfs/dbraw/zinc/17/03/50/673170350.db2.gz GXOUKOKRQVEBOW-ZDUSSCGKSA-N -1 1 355.790 2.190 20 0 FEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000594867256 673171574 /nfs/dbraw/zinc/17/15/74/673171574.db2.gz VNABFOXFUHRIQD-HNNXBMFYSA-N -1 1 372.443 2.380 20 0 FEADMM CCCCCS(=O)(=O)CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000728104266 673193595 /nfs/dbraw/zinc/19/35/95/673193595.db2.gz UAPXAGDYBJGFAS-UHFFFAOYSA-N -1 1 368.407 2.147 20 0 FEADMM CCc1nc([C@H](C)NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])n[nH]1 ZINC000613121920 676112669 /nfs/dbraw/zinc/11/26/69/676112669.db2.gz DVIDNMABUHQGOD-VIFPVBQESA-N -1 1 360.805 2.403 20 0 FEADMM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc2c(cc1O)OCO2 ZINC000436482540 673217855 /nfs/dbraw/zinc/21/78/55/673217855.db2.gz IGFPOPFAMMWNTR-UHFFFAOYSA-N -1 1 355.375 2.237 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)cc1C ZINC000595311902 673221242 /nfs/dbraw/zinc/22/12/42/673221242.db2.gz JEXGEPUGCSNUQD-UHFFFAOYSA-N -1 1 359.350 2.174 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)C12CCCC2 ZINC000595316152 673222370 /nfs/dbraw/zinc/22/23/70/673222370.db2.gz CPZNVLQQTXFFHB-OLZOCXBDSA-N -1 1 371.455 2.391 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2cc(C)c(O)c(C)c2)cc1C ZINC000595324452 673224681 /nfs/dbraw/zinc/22/46/81/673224681.db2.gz FZMYAKRLWPDCBN-UHFFFAOYSA-N -1 1 367.423 2.218 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)cc1C ZINC000595343074 673228267 /nfs/dbraw/zinc/22/82/67/673228267.db2.gz WBVCZGXJTGGMME-GFCCVEGCSA-N -1 1 357.428 2.145 20 0 FEADMM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361149 673278020 /nfs/dbraw/zinc/27/80/20/673278020.db2.gz XYLSMRCATJAWNI-ZETCQYMHSA-N -1 1 363.197 2.479 20 0 FEADMM Cc1c(F)c(Br)ccc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000613475748 676130750 /nfs/dbraw/zinc/13/07/50/676130750.db2.gz RRTYIWZGXBNCKI-SSDOTTSWSA-N -1 1 356.199 2.285 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](CC(C)C)C2)o1 ZINC000537436969 673389704 /nfs/dbraw/zinc/38/97/04/673389704.db2.gz SODMAHLMONESMZ-STQMWFEESA-N -1 1 359.444 2.328 20 0 FEADMM CSCc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])ccc1F ZINC000537502047 673391508 /nfs/dbraw/zinc/39/15/08/673391508.db2.gz CTBBKOGJOLTGSN-UHFFFAOYSA-N -1 1 370.427 2.294 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c(O)c1 ZINC000537740617 673404590 /nfs/dbraw/zinc/40/45/90/673404590.db2.gz DUIVVEASUZGUFL-UHFFFAOYSA-N -1 1 355.343 2.104 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C(F)(F)F ZINC000733320294 673409273 /nfs/dbraw/zinc/40/92/73/673409273.db2.gz IRHFLGDLZAEYMD-CYBMUJFWSA-N -1 1 364.345 2.338 20 0 FEADMM Cc1cc(C)cc(OCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000537850168 673411201 /nfs/dbraw/zinc/41/12/01/673411201.db2.gz VWUVPIKYLLHTQG-UHFFFAOYSA-N -1 1 364.423 2.064 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000537848995 673411261 /nfs/dbraw/zinc/41/12/61/673411261.db2.gz KWPOOOBXPNBEHS-UHFFFAOYSA-N -1 1 365.392 2.008 20 0 FEADMM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000538497056 673443131 /nfs/dbraw/zinc/44/31/31/673443131.db2.gz XARCQUODASKIGF-UHFFFAOYSA-N -1 1 355.441 2.034 20 0 FEADMM C[C@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCc2ccccc2C1 ZINC000538606265 673447434 /nfs/dbraw/zinc/44/74/34/673447434.db2.gz IMPPHAJLJXBXOM-SFHVURJKSA-N -1 1 360.435 2.173 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3nc(C)ncc32)c(F)c1 ZINC000734850727 673474590 /nfs/dbraw/zinc/47/45/90/673474590.db2.gz NXIAACLDDXIJSP-OAHLLOKOSA-N -1 1 369.393 2.428 20 0 FEADMM CC(C)(C)c1ccc(SCC(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1 ZINC000735652693 673499009 /nfs/dbraw/zinc/49/90/09/673499009.db2.gz RSEQYHPDPRGETI-AWEZNQCLSA-N -1 1 361.471 2.189 20 0 FEADMM O=C(NCc1ccno1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000539749255 673503770 /nfs/dbraw/zinc/50/37/70/673503770.db2.gz VTZFYBJTQSCQEO-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1Br)c1nn[n-]n1 ZINC000735996272 673510662 /nfs/dbraw/zinc/51/06/62/673510662.db2.gz QDWIPYMUWAXHKP-QMMMGPOBSA-N -1 1 372.654 2.420 20 0 FEADMM COc1cc(NC(=O)CCc2cncc(F)c2)ccc1[N-]S(C)(=O)=O ZINC000540438210 673539464 /nfs/dbraw/zinc/53/94/64/673539464.db2.gz FVXWSIZPDVFCII-UHFFFAOYSA-N -1 1 367.402 2.172 20 0 FEADMM O=S(=O)([N-]c1ccc2nccn2c1)c1c(Cl)nc2sccn21 ZINC000739385859 673631575 /nfs/dbraw/zinc/63/15/75/673631575.db2.gz ZPHIQLBCGIVWRZ-UHFFFAOYSA-N -1 1 353.816 2.498 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1C ZINC000543639145 673657898 /nfs/dbraw/zinc/65/78/98/673657898.db2.gz DWPRPDNGDZERTF-UHFFFAOYSA-N -1 1 360.439 2.053 20 0 FEADMM COc1cc(C(=O)NCc2nn[n-]n2)cc(Cl)c1OCCC(C)C ZINC000599334388 673660320 /nfs/dbraw/zinc/66/03/20/673660320.db2.gz JYUOENBPFIUWGU-UHFFFAOYSA-N -1 1 353.810 2.217 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000599376474 673666100 /nfs/dbraw/zinc/66/61/00/673666100.db2.gz VBQDPBHEOAUGKE-NWANDNLSSA-N -1 1 367.810 2.336 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cnc1Cl ZINC000742233017 673714912 /nfs/dbraw/zinc/71/49/12/673714912.db2.gz IQABYSKSGKJDBZ-UHFFFAOYSA-N -1 1 358.769 2.433 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@@H](O)Cc1ccccc1 ZINC000544714815 673728462 /nfs/dbraw/zinc/72/84/62/673728462.db2.gz OZIUKRRVVYLBSI-JQWIXIFHSA-N -1 1 374.256 2.313 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544760615 673731234 /nfs/dbraw/zinc/73/12/34/673731234.db2.gz KJVOHBHEOYEFSJ-MNOVXSKESA-N -1 1 359.817 2.335 20 0 FEADMM CN(C(=O)c1ccc(I)c([O-])c1)c1cnn(C)c1 ZINC000544858888 673737221 /nfs/dbraw/zinc/73/72/21/673737221.db2.gz OGNGMAHCLAOLOY-UHFFFAOYSA-N -1 1 357.151 2.007 20 0 FEADMM CC(C)(C)OC(=O)NCCNC(=O)c1cc(Br)ccc1[O-] ZINC000742830560 673739221 /nfs/dbraw/zinc/73/92/21/673739221.db2.gz QCRGHBCOSFIHRQ-UHFFFAOYSA-N -1 1 359.220 2.409 20 0 FEADMM CCOc1cc(C(=O)NCCC(=O)Nc2ccncc2)cc(Cl)c1[O-] ZINC000545169176 673748723 /nfs/dbraw/zinc/74/87/23/673748723.db2.gz AEQLLCRCPKWQIE-UHFFFAOYSA-N -1 1 363.801 2.020 20 0 FEADMM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000545355658 673762274 /nfs/dbraw/zinc/76/22/74/673762274.db2.gz CFIUCULUBHKAQD-UHFFFAOYSA-N -1 1 354.222 2.052 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)C1CCCCC1 ZINC000600419026 673766296 /nfs/dbraw/zinc/76/62/96/673766296.db2.gz CLDDDTFFCJQRRT-LBPRGKRZSA-N -1 1 367.471 2.312 20 0 FEADMM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000600434293 673767887 /nfs/dbraw/zinc/76/78/87/673767887.db2.gz VXDJYFLRSHQTMZ-ZWNOBZJWSA-N -1 1 371.817 2.142 20 0 FEADMM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccco1 ZINC000745464495 673837938 /nfs/dbraw/zinc/83/79/38/673837938.db2.gz UJGYMYSBOMAEGU-NSHDSACASA-N -1 1 360.867 2.028 20 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O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1cccs1 ZINC000663271231 678712496 /nfs/dbraw/zinc/71/24/96/678712496.db2.gz KENMOGCAKJOBIB-HOCLYGCPSA-N -1 1 359.451 2.448 20 0 FEADMM Cc1nc(C)c(Br)c(N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC000663871574 678800971 /nfs/dbraw/zinc/80/09/71/678800971.db2.gz SUNRVQJMMZQBGR-VIFPVBQESA-N -1 1 354.208 2.329 20 0 FEADMM Cc1ccncc1Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000664980764 678936432 /nfs/dbraw/zinc/93/64/32/678936432.db2.gz FPJPSRHHQKIVLX-NSHDSACASA-N -1 1 364.452 2.465 20 0 FEADMM COc1ccc(NC(=O)c2onc3c2CCCC3)cc1[N-]S(C)(=O)=O ZINC000665965368 678994420 /nfs/dbraw/zinc/99/44/20/678994420.db2.gz NOWKMDVWKLRIIU-UHFFFAOYSA-N -1 1 365.411 2.186 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3=O)cc1 ZINC000666313183 679014623 /nfs/dbraw/zinc/01/46/23/679014623.db2.gz UEUATXAEYOAODM-UHFFFAOYSA-N -1 1 360.435 2.262 20 0 FEADMM O=C(NCCOC[C@@H]1CCOC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000669950485 679261660 /nfs/dbraw/zinc/26/16/60/679261660.db2.gz 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COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c(F)c1 ZINC000673587792 679438949 /nfs/dbraw/zinc/43/89/49/679438949.db2.gz LXMCNOSDCDLTQU-JTQLQIEISA-N -1 1 355.362 2.428 20 0 FEADMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccncc1 ZINC000674129145 679471850 /nfs/dbraw/zinc/47/18/50/679471850.db2.gz RSWKTULFBKTSIN-GFCCVEGCSA-N -1 1 365.455 2.285 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC000674648843 679497632 /nfs/dbraw/zinc/49/76/32/679497632.db2.gz WCHXDOGAVWSAOI-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c(F)c1 ZINC000676203330 679617209 /nfs/dbraw/zinc/61/72/09/679617209.db2.gz SPRMVTPGQNPVBO-CYBMUJFWSA-N -1 1 371.405 2.418 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cncn3)cc2)sc1C ZINC000676414178 679632454 /nfs/dbraw/zinc/63/24/54/679632454.db2.gz MWSVCMJAWBIXPQ-LLVKDONJSA-N -1 1 363.468 2.380 20 0 FEADMM O=S(=O)([N-]CC1(CO)CC1)c1cc(Br)sc1Cl ZINC000676861604 679646044 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NC(=O)[C@H](Cc1ccccc1)OC(=O)c1ccc(Br)c([O-])c1 ZINC000754852687 680384557 /nfs/dbraw/zinc/38/45/57/680384557.db2.gz MVVLGZOPBIIYRN-AWEZNQCLSA-N -1 1 364.195 2.408 20 0 FEADMM CSc1nc(CNC(=O)c2scnc2C(F)(F)F)cc(=O)[n-]1 ZINC000912251908 685340319 /nfs/dbraw/zinc/34/03/19/685340319.db2.gz WBUKRTGRXIRASI-UHFFFAOYSA-N -1 1 350.347 2.309 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)CCCc2cccnc2)o1 ZINC000835928759 680399645 /nfs/dbraw/zinc/39/96/45/680399645.db2.gz CDNNLMOBJGZJTL-LBPRGKRZSA-N -1 1 352.412 2.151 20 0 FEADMM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc2c(c1)CCO2 ZINC000756752139 680496311 /nfs/dbraw/zinc/49/63/11/680496311.db2.gz OXAGXTBIWVJYPR-GFCCVEGCSA-N -1 1 368.361 2.200 20 0 FEADMM COCC1(NC(=O)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CC1 ZINC000836739404 680505858 /nfs/dbraw/zinc/50/58/58/680505858.db2.gz WSPIJMYXVBFWGC-UHFFFAOYSA-N -1 1 359.348 2.474 20 0 FEADMM COC[C@H]1CCN1C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836744261 680506244 /nfs/dbraw/zinc/50/62/44/680506244.db2.gz 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Cc1c([C@@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])cnn1C ZINC000904048215 690997658 /nfs/dbraw/zinc/99/76/58/690997658.db2.gz OSDQEKGGCBZNTN-CYBMUJFWSA-N -1 1 354.204 2.112 20 0 FEADMM O=S1(=O)C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)[C@@H](C(F)(F)F)C1 ZINC000904048438 690997851 /nfs/dbraw/zinc/99/78/51/690997851.db2.gz ABQUZXLBGGOGNE-YUMQZZPRSA-N -1 1 366.292 2.272 20 0 FEADMM COc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)ccc1OC(F)F ZINC000904049154 690998165 /nfs/dbraw/zinc/99/81/65/690998165.db2.gz WVZBWJDCTSBRMF-CQSZACIVSA-N -1 1 355.341 2.254 20 0 FEADMM CCS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000905382323 691111809 /nfs/dbraw/zinc/11/18/09/691111809.db2.gz WTEUPWXPNNZGKS-KRWDZBQOSA-N -1 1 363.435 2.404 20 0 FEADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000906058410 691223314 /nfs/dbraw/zinc/22/33/14/691223314.db2.gz BWKIKYFCMZCADE-UHFFFAOYSA-N -1 1 354.457 2.006 20 0 FEADMM COc1cccc(C(F)(F)C(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000906652350 691297657 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370.446 2.080 20 0 FEADMM CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000907007608 691367920 /nfs/dbraw/zinc/36/79/20/691367920.db2.gz MBSMLFGSUGXGIM-UHFFFAOYSA-N -1 1 360.863 2.191 20 0 FEADMM CC1(C)CCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000907007608 691367922 /nfs/dbraw/zinc/36/79/22/691367922.db2.gz MBSMLFGSUGXGIM-UHFFFAOYSA-N -1 1 360.863 2.191 20 0 FEADMM O=C(CCCOc1ccc(Cl)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473036 691492673 /nfs/dbraw/zinc/49/26/73/691492673.db2.gz BGFACRAYHDXHOV-CYBMUJFWSA-N -1 1 367.862 2.329 20 0 FEADMM O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475404 691494465 /nfs/dbraw/zinc/49/44/65/691494465.db2.gz JPKAYDSONUSAJL-HNNXBMFYSA-N -1 1 354.439 2.489 20 0 FEADMM O=C(CCOc1ccc(F)c(Cl)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475486 691494668 /nfs/dbraw/zinc/49/46/68/691494668.db2.gz KKGWSVINTOZVFU-GFCCVEGCSA-N -1 1 371.825 2.078 20 0 FEADMM O=C(c1cnc(Cc2ccccc2)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478715 691496504 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CC(C)(C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1nccs1 ZINC000908286446 691652001 /nfs/dbraw/zinc/65/20/01/691652001.db2.gz ODLJXQDJEQBYLL-SNVBAGLBSA-N -1 1 363.405 2.338 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)c1cn(C[C@@H]2CCOC2)nn1 ZINC000908716185 691717434 /nfs/dbraw/zinc/71/74/34/691717434.db2.gz AZHWENQFHXZONP-VIFPVBQESA-N -1 1 367.203 2.035 20 0 FEADMM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccc(OC(F)F)cc1 ZINC000908721163 691718836 /nfs/dbraw/zinc/71/88/36/691718836.db2.gz UHPVJEOEAIDGDU-DGCLKSJQSA-N -1 1 356.369 2.262 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N[C@H](COC)C(=O)[O-])c1ccccc1Cl ZINC000908749831 691722237 /nfs/dbraw/zinc/72/22/37/691722237.db2.gz ZHDCQRYWQNZVSI-CABCVRRESA-N -1 1 371.865 2.122 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1cccc(F)c1 ZINC000908754383 691724074 /nfs/dbraw/zinc/72/40/74/691724074.db2.gz TVWQOUYCHSKUGG-RYUDHWBXSA-N -1 1 365.327 2.133 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)[C@H](C(=O)[O-])C1 ZINC000908820981 691735463 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O=C([O-])[C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000909626891 691840843 /nfs/dbraw/zinc/84/08/43/691840843.db2.gz MKUQURSWJMERBQ-WDEREUQCSA-N -1 1 353.300 2.369 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2Br)C1 ZINC000909721652 691848608 /nfs/dbraw/zinc/84/86/08/691848608.db2.gz OWOGGJVJNWWHCZ-NSHDSACASA-N -1 1 373.222 2.001 20 0 FEADMM COc1ccc([C@H](NC(=O)CN2CCC(C)CC2)C(=O)[O-])cc1Cl ZINC000909794703 691856328 /nfs/dbraw/zinc/85/63/28/691856328.db2.gz HSRKZMXMROKEKR-INIZCTEOSA-N -1 1 354.834 2.322 20 0 FEADMM COc1ccc([C@H](NC(=O)CN(C)[C@@H]2CCSC2)C(=O)[O-])cc1Cl ZINC000909796521 691856485 /nfs/dbraw/zinc/85/64/85/691856485.db2.gz OSJINMFPINRIDN-ABAIWWIYSA-N -1 1 372.874 2.028 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN(C)[C@H]2CCSC2)C(=O)[O-])cc1Cl ZINC000909796524 691856503 /nfs/dbraw/zinc/85/65/03/691856503.db2.gz OSJINMFPINRIDN-XHDPSFHLSA-N -1 1 372.874 2.028 20 0 FEADMM CN(CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)[C@@H]1CCSC1 ZINC000909951329 691875864 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COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])C3CC3)CCN2C2CC2)c1 ZINC000663044592 939851062 /nfs/dbraw/zinc/85/10/62/939851062.db2.gz BQQACNBCNASYDL-FGTMMUONSA-N -1 1 358.438 2.200 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)nc2Cl)o1 ZINC000800134132 674023497 /nfs/dbraw/zinc/02/34/97/674023497.db2.gz CITUIFUCFJFGJH-UHFFFAOYSA-N -1 1 365.194 2.247 20 0 FEADMM COCCCCN(C)C(=O)c1ccc(I)cc1[O-] ZINC000868904756 684556472 /nfs/dbraw/zinc/55/64/72/684556472.db2.gz ZXDWMFWNVSUOKT-UHFFFAOYSA-N -1 1 363.195 2.495 20 0 FEADMM O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc([O-])cc1 ZINC000007301228 539454205 /nfs/dbraw/zinc/45/42/05/539454205.db2.gz FFOJPMGBBWXAFD-UHFFFAOYSA-N -1 1 355.419 2.495 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1OC ZINC000014257258 539600912 /nfs/dbraw/zinc/60/09/12/539600912.db2.gz PUYAETOAHNWLFI-UHFFFAOYSA-N -1 1 364.423 2.487 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc[nH]n3)c2)c1 ZINC000023141905 539707439 /nfs/dbraw/zinc/70/74/39/539707439.db2.gz 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CCOc1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)ccc1OC ZINC000055631738 540665588 /nfs/dbraw/zinc/66/55/88/540665588.db2.gz VUBVNJDJXZUDPF-UHFFFAOYSA-N -1 1 364.423 2.302 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)c(F)c3)cc2[nH]1 ZINC000055638184 540667259 /nfs/dbraw/zinc/66/72/59/540667259.db2.gz CELGDLIKXRTRHT-UHFFFAOYSA-N -1 1 373.312 2.398 20 0 FEADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)cc1 ZINC000056498000 540730345 /nfs/dbraw/zinc/73/03/45/540730345.db2.gz QMOAOVJIIQMKFE-ZDUSSCGKSA-N -1 1 356.375 2.013 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)o1 ZINC000057113571 540768447 /nfs/dbraw/zinc/76/84/47/540768447.db2.gz PAIMGBGAYIUATH-UHFFFAOYSA-N -1 1 352.456 2.084 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(F)c1F ZINC000057929740 540824567 /nfs/dbraw/zinc/82/45/67/540824567.db2.gz HXVHFUOZYUQUCL-SSDOTTSWSA-N -1 1 362.295 2.019 20 0 FEADMM CCC(CC)N(CCOC)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000064292482 541199325 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Cn1c(CCNC(=O)c2ccc(OCC(F)(F)F)cc2)n[n-]c1=S ZINC000067051585 541411163 /nfs/dbraw/zinc/41/11/63/541411163.db2.gz UIPYYUPWZDHMJK-UHFFFAOYSA-N -1 1 360.361 2.391 20 0 FEADMM CC(C)n1c(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n[n-]c1=S ZINC000067071539 541413676 /nfs/dbraw/zinc/41/36/76/541413676.db2.gz HTAHAILRQYEPFY-KRWDZBQOSA-N -1 1 360.439 2.310 20 0 FEADMM CCn1c(CCNC(=O)CSc2cccc(OC)c2)n[n-]c1=S ZINC000067119415 541420140 /nfs/dbraw/zinc/42/01/40/541420140.db2.gz GWLWSXDLJNJINT-UHFFFAOYSA-N -1 1 352.485 2.420 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000067245649 541435872 /nfs/dbraw/zinc/43/58/72/541435872.db2.gz ZWBFMSOEUQZYPB-UHFFFAOYSA-N -1 1 361.423 2.190 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(CNc2ccnc(C)n2)c1)c1nn[n-]n1 ZINC000542653000 541441638 /nfs/dbraw/zinc/44/16/38/541441638.db2.gz HJIKXONGXUHXFR-OAHLLOKOSA-N -1 1 366.429 2.181 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 ZINC000068426853 541590019 /nfs/dbraw/zinc/59/00/19/541590019.db2.gz UUXJXJCPBINKMT-AWEZNQCLSA-N -1 1 372.450 2.485 20 0 FEADMM CCn1c(C2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)n[n-]c1=S ZINC000068453213 541594594 /nfs/dbraw/zinc/59/45/94/541594594.db2.gz NBGZMIPDFCVCST-UHFFFAOYSA-N -1 1 374.470 2.471 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000068716549 541622189 /nfs/dbraw/zinc/62/21/89/541622189.db2.gz IFYQGHJJVVHTKV-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM O=S(=O)([N-]CCOC[C@H]1CCOC1)c1cc(Cl)sc1Cl ZINC000068943426 541643859 /nfs/dbraw/zinc/64/38/59/541643859.db2.gz DVNDVTAWTHXOEM-QMMMGPOBSA-N -1 1 360.284 2.386 20 0 FEADMM O=C1NCc2ccc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)cc21 ZINC000069647119 541701958 /nfs/dbraw/zinc/70/19/58/541701958.db2.gz JTDLXSVTGIGYSF-UHFFFAOYSA-N -1 1 357.366 2.418 20 0 FEADMM CCOC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000070925954 541752342 /nfs/dbraw/zinc/75/23/42/541752342.db2.gz RQQHMLRWVKTLMP-CYBMUJFWSA-N -1 1 372.487 2.245 20 0 FEADMM CSC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000121186715 326320254 /nfs/dbraw/zinc/32/02/54/326320254.db2.gz PPMIQJOBLHVBHQ-ZCFIWIBFSA-N -1 1 350.314 2.447 20 0 FEADMM O=C(OCCCN1CCOC1=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374345 674124693 /nfs/dbraw/zinc/12/46/93/674124693.db2.gz GOOBOSQTDFDVOT-UHFFFAOYSA-N -1 1 365.773 2.230 20 0 FEADMM CC(C)CNC(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801362550 674124320 /nfs/dbraw/zinc/12/43/20/674124320.db2.gz ROHRNIAVUAKNES-UHFFFAOYSA-N -1 1 351.790 2.160 20 0 FEADMM CCCCNC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801370398 674124338 /nfs/dbraw/zinc/12/43/38/674124338.db2.gz CLBVGROKQDJSCQ-UHFFFAOYSA-N -1 1 351.790 2.304 20 0 FEADMM Cc1cccc(OCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000074162197 542045468 /nfs/dbraw/zinc/04/54/68/542045468.db2.gz PJQZJLAEGMMZMV-UHFFFAOYSA-N -1 1 368.437 2.342 20 0 FEADMM O=C(NCc1cn2cc(Cl)ccc2n1)c1nc2ccccc2c(=O)[n-]1 ZINC000074454492 542085862 /nfs/dbraw/zinc/08/58/62/542085862.db2.gz AZFWEOKXOMXVGB-UHFFFAOYSA-N -1 1 353.769 2.154 20 0 FEADMM CCC[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)CC)C(=O)OCC ZINC000801831446 674151688 /nfs/dbraw/zinc/15/16/88/674151688.db2.gz KWATTZNPAJJSJZ-AWEZNQCLSA-N -1 1 357.428 2.337 20 0 FEADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000080823199 542611077 /nfs/dbraw/zinc/61/10/77/542611077.db2.gz ZBNHCMXHJOWRRP-UHFFFAOYSA-N -1 1 355.224 2.225 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cnn(CC(C)C)c2)c1 ZINC000081279971 542643680 /nfs/dbraw/zinc/64/36/80/542643680.db2.gz WOEZWINSDVKFOB-UHFFFAOYSA-N -1 1 350.444 2.471 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc1 ZINC000089267303 542760289 /nfs/dbraw/zinc/76/02/89/542760289.db2.gz UBRBGIUZZRXSKO-UHFFFAOYSA-N -1 1 358.423 2.415 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000091699452 542820267 /nfs/dbraw/zinc/82/02/67/542820267.db2.gz JKFSFQCLDQUWHW-GXFFZTMASA-N -1 1 367.243 2.286 20 0 FEADMM CC(C)n1cnnc1[C@@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000093200730 542917111 /nfs/dbraw/zinc/91/71/11/542917111.db2.gz ZWAFYBUCPOQCML-QGZVFWFLSA-N -1 1 357.458 2.286 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccccc3S(C)(=O)=O)ccc12 ZINC000093909150 542944847 /nfs/dbraw/zinc/94/48/47/542944847.db2.gz GBSJDJPSICKZHY-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM Cc1nnc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)[nH]1 ZINC000103253154 543098611 /nfs/dbraw/zinc/09/86/11/543098611.db2.gz MSENDAKTDVGQNO-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM Cc1ccc(NC(=O)CNC(=O)c2nc3ccccc3c(=O)[n-]2)c(Cl)c1 ZINC000104770954 543143063 /nfs/dbraw/zinc/14/30/63/543143063.db2.gz BMPBPSLTSCDRJZ-UHFFFAOYSA-N -1 1 370.796 2.253 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1CC(c2ccccc2)C1 ZINC000104898656 543149657 /nfs/dbraw/zinc/14/96/57/543149657.db2.gz KKRYAXMDPFANPC-UHFFFAOYSA-N -1 1 350.422 2.244 20 0 FEADMM C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108593045 543296535 /nfs/dbraw/zinc/29/65/35/543296535.db2.gz PPYFSTYIOGNVHK-LBPRGKRZSA-N -1 1 368.503 2.149 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCCCOC2CCCCC2)o1 ZINC000111151847 543383560 /nfs/dbraw/zinc/38/35/60/543383560.db2.gz CMANXVNQSMDSBW-UHFFFAOYSA-N -1 1 372.487 2.437 20 0 FEADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc2ccccc2c1[O-] ZINC000112032518 543427271 /nfs/dbraw/zinc/42/72/71/543427271.db2.gz SPMRBVJTSCZLQQ-ZDUSSCGKSA-N -1 1 352.312 2.438 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000114155595 543504890 /nfs/dbraw/zinc/50/48/90/543504890.db2.gz AXOIZVOFRZXKIP-LBPRGKRZSA-N -1 1 374.828 2.377 20 0 FEADMM COc1ccccc1[C@@H](C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114411454 543514148 /nfs/dbraw/zinc/51/41/48/543514148.db2.gz CEETUTDBXPOFJS-LBPRGKRZSA-N -1 1 368.437 2.458 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCCN1c1ccccc1 ZINC000114500457 543522150 /nfs/dbraw/zinc/52/21/50/543522150.db2.gz DOQFENYMNHIKIZ-CQSZACIVSA-N -1 1 366.389 2.439 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000551987618 674179067 /nfs/dbraw/zinc/17/90/67/674179067.db2.gz OCCCIWAYBXATFI-PTEHBNRSSA-N -1 1 371.459 2.144 20 0 FEADMM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1ccc(Br)cc1[O-] ZINC000552007256 674181226 /nfs/dbraw/zinc/18/12/26/674181226.db2.gz RPJMHDVMUSPBCU-ZWNOBZJWSA-N -1 1 360.248 2.043 20 0 FEADMM CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000617528713 676290614 /nfs/dbraw/zinc/29/06/14/676290614.db2.gz YDUPNWDNXZGDFD-SUHUHFCYSA-N -1 1 372.259 2.451 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c2cccnc12 ZINC000552034715 674183708 /nfs/dbraw/zinc/18/37/08/674183708.db2.gz WDTYEUWBQARIOU-UHFFFAOYSA-N -1 1 359.411 2.430 20 0 FEADMM O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1nnn[n-]1 ZINC000118685515 543655760 /nfs/dbraw/zinc/65/57/60/543655760.db2.gz CTFIAAKECMKYBD-UHFFFAOYSA-N -1 1 350.791 2.070 20 0 FEADMM O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1nn[n-]n1 ZINC000118685515 543655763 /nfs/dbraw/zinc/65/57/63/543655763.db2.gz CTFIAAKECMKYBD-UHFFFAOYSA-N -1 1 350.791 2.070 20 0 FEADMM CCn1cnc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Br)c1 ZINC000118746783 543657980 /nfs/dbraw/zinc/65/79/80/543657980.db2.gz BKCRUNRKNDZVJZ-UHFFFAOYSA-N -1 1 374.216 2.165 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)c2c(C)noc2C)o1 ZINC000119380920 543666938 /nfs/dbraw/zinc/66/69/38/543666938.db2.gz YIRULYCJUKYLQZ-LLVKDONJSA-N -1 1 356.400 2.491 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)co1 ZINC000122537184 543709364 /nfs/dbraw/zinc/70/93/64/543709364.db2.gz QAGBQCGJNDMOID-ZDUSSCGKSA-N -1 1 354.815 2.258 20 0 FEADMM C[C@@H](CN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1nn[n-]n1 ZINC000124051940 543798290 /nfs/dbraw/zinc/79/82/90/543798290.db2.gz HLZGSTGSQPMTNS-UFBFGSQYSA-N -1 1 358.229 2.192 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(O)cc2F)o1 ZINC000124646337 543834637 /nfs/dbraw/zinc/83/46/37/543834637.db2.gz IFRXGBDESCJVHL-UHFFFAOYSA-N -1 1 356.375 2.453 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)[nH]n1 ZINC000126395508 543933470 /nfs/dbraw/zinc/93/34/70/543933470.db2.gz OVROOWRCUPPXQC-UHFFFAOYSA-N -1 1 371.484 2.183 20 0 FEADMM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000126706666 543952179 /nfs/dbraw/zinc/95/21/79/543952179.db2.gz IWVUBCDCBLDKFN-VIFPVBQESA-N -1 1 370.780 2.258 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@H](C)O)c2)cc1 ZINC000126725352 543953137 /nfs/dbraw/zinc/95/31/37/543953137.db2.gz FZLHDJIXCBBNCH-AWEZNQCLSA-N -1 1 362.451 2.249 20 0 FEADMM Cn1c(CNC(=O)c2ccc(Br)c([O-])c2)nnc1C1CCC1 ZINC000129137392 544092744 /nfs/dbraw/zinc/09/27/44/544092744.db2.gz JUPSGYGMEOHOMC-UHFFFAOYSA-N -1 1 365.231 2.481 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)o1 ZINC000129527157 544116828 /nfs/dbraw/zinc/11/68/28/544116828.db2.gz YAAXGTCJZJOUMF-UHFFFAOYSA-N -1 1 374.422 2.204 20 0 FEADMM O=C(c1cnc(-c2ccccc2F)s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129456758 544113698 /nfs/dbraw/zinc/11/36/98/544113698.db2.gz RYYBSZNGRJIESH-JTQLQIEISA-N -1 1 358.402 2.482 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)Cc2c(C)noc2C)c(=O)[n-]1 ZINC000129606692 544119950 /nfs/dbraw/zinc/11/99/50/544119950.db2.gz VBEWXGFWVBJUCF-SECBINFHSA-N -1 1 364.471 2.085 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(C)(C)c2ccccc2)co1 ZINC000129871448 544130196 /nfs/dbraw/zinc/13/01/96/544130196.db2.gz RICOIOZSMSTUMJ-GFCCVEGCSA-N -1 1 350.440 2.284 20 0 FEADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131104032 544176749 /nfs/dbraw/zinc/17/67/49/544176749.db2.gz HQNHNFFUHXXXBU-UHFFFAOYSA-N -1 1 362.854 2.404 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c(Cl)c1 ZINC000133279849 544263226 /nfs/dbraw/zinc/26/32/26/544263226.db2.gz HYRLWTLZMVHSTM-UHFFFAOYSA-N -1 1 356.835 2.450 20 0 FEADMM CCCc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1-c1ccccc1 ZINC000133386923 544267550 /nfs/dbraw/zinc/26/75/50/544267550.db2.gz CMEWSUCIKGIPRN-CQSZACIVSA-N -1 1 365.441 2.358 20 0 FEADMM O=C(NCCCOC[C@H]1CCOC1)c1ccc(Br)c([O-])c1 ZINC000133503324 544272695 /nfs/dbraw/zinc/27/26/95/544272695.db2.gz COLHETKHELVJPD-LLVKDONJSA-N -1 1 358.232 2.328 20 0 FEADMM O=C(Nc1nnn[n-]1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000135469946 544348375 /nfs/dbraw/zinc/34/83/75/544348375.db2.gz UUWWZDRNMQJSRP-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1nn[n-]n1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000135469946 544348377 /nfs/dbraw/zinc/34/83/77/544348377.db2.gz UUWWZDRNMQJSRP-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(-n2cnnn2)c1 ZINC000135937357 544363547 /nfs/dbraw/zinc/36/35/47/544363547.db2.gz RUBKJPGUNSRHEH-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM CCC[C@H](NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1)c1nn[n-]n1 ZINC000136629153 544375596 /nfs/dbraw/zinc/37/55/96/544375596.db2.gz MFGWWYJUJWUXMY-NSHDSACASA-N -1 1 374.836 2.267 20 0 FEADMM CCC[C@@H](NC(=O)CSCc1cn2cc(C)ccc2n1)c1nn[n-]n1 ZINC000136667468 544376338 /nfs/dbraw/zinc/37/63/38/544376338.db2.gz JJOOAPTYRJLBMU-CYBMUJFWSA-N -1 1 359.459 2.047 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000150798179 544473543 /nfs/dbraw/zinc/47/35/43/544473543.db2.gz PPTIARJKBCYJBH-CVEARBPZSA-N -1 1 372.469 2.448 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccccc1 ZINC000150868690 544480952 /nfs/dbraw/zinc/48/09/52/544480952.db2.gz JEISQDYFGXDMKQ-UHFFFAOYSA-N -1 1 370.427 2.067 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000153220233 544747283 /nfs/dbraw/zinc/74/72/83/544747283.db2.gz NNTMVAMUPBSGDU-JOYOIKCWSA-N -1 1 357.334 2.179 20 0 FEADMM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000153164381 544741070 /nfs/dbraw/zinc/74/10/70/544741070.db2.gz PAJKPWYVUAQOMG-OAHLLOKOSA-N -1 1 351.406 2.336 20 0 FEADMM CS[C@@H]1CCCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000154473444 544911193 /nfs/dbraw/zinc/91/11/93/544911193.db2.gz JQGYCXMXHZOSJS-OAHLLOKOSA-N -1 1 372.494 2.427 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)cnc2n1 ZINC000155005717 544976104 /nfs/dbraw/zinc/97/61/04/544976104.db2.gz YCZCIYTUXVEEID-WCQYABFASA-N -1 1 355.316 2.172 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)c[n-]c2n1 ZINC000155005717 544976107 /nfs/dbraw/zinc/97/61/07/544976107.db2.gz YCZCIYTUXVEEID-WCQYABFASA-N -1 1 355.316 2.172 20 0 FEADMM COC(=O)CC1(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)CCOCC1 ZINC000552713546 674221385 /nfs/dbraw/zinc/22/13/85/674221385.db2.gz AJFZRXBWQKWPBC-UHFFFAOYSA-N -1 1 371.817 2.144 20 0 FEADMM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179540521 327648881 /nfs/dbraw/zinc/64/88/81/327648881.db2.gz ZUMXDCBFBQPSLX-OAHLLOKOSA-N -1 1 362.451 2.493 20 0 FEADMM Cc1ccc(O)c(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000179610166 327651936 /nfs/dbraw/zinc/65/19/36/327651936.db2.gz YWYSQCCQTKLMQD-UHFFFAOYSA-N -1 1 350.378 2.336 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](CO)C2)cc1 ZINC000179710454 327656685 /nfs/dbraw/zinc/65/66/85/327656685.db2.gz JESODQYBHHLDAC-HNNXBMFYSA-N -1 1 374.462 2.250 20 0 FEADMM Cc1nc([C@@H]([N-]S(=O)(=O)C[C@H]2CCCO2)c2ccc(Cl)cc2)no1 ZINC000179989192 327667212 /nfs/dbraw/zinc/66/72/12/327667212.db2.gz MTZBLVZYZGJBHX-KGLIPLIRSA-N -1 1 371.846 2.219 20 0 FEADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(S(N)(=O)=O)c1 ZINC000185419511 327915513 /nfs/dbraw/zinc/91/55/13/327915513.db2.gz SZYOYDNNBUWEAO-CYBMUJFWSA-N -1 1 352.387 2.060 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000187484638 328029138 /nfs/dbraw/zinc/02/91/38/328029138.db2.gz NALDRARZFRWSOP-HXUWFJFHSA-N -1 1 357.454 2.403 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000187484620 328029416 /nfs/dbraw/zinc/02/94/16/328029416.db2.gz NALDRARZFRWSOP-FQEVSTJZSA-N -1 1 357.454 2.403 20 0 FEADMM COc1ccc(Cn2ccc([N-]S(=O)(=O)N3CCC[C@@H](C)C3)n2)cc1 ZINC000187788247 328046142 /nfs/dbraw/zinc/04/61/42/328046142.db2.gz XNXVASXSFFSSMZ-CQSZACIVSA-N -1 1 364.471 2.329 20 0 FEADMM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188039082 328062100 /nfs/dbraw/zinc/06/21/00/328062100.db2.gz GKWVTWJXSNDAQU-LBPRGKRZSA-N -1 1 360.234 2.198 20 0 FEADMM NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188083307 328064842 /nfs/dbraw/zinc/06/48/42/328064842.db2.gz YOBZKKGIBMISHD-IONNQARKSA-N -1 1 369.245 2.455 20 0 FEADMM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000188137058 328068506 /nfs/dbraw/zinc/06/85/06/328068506.db2.gz UAMIXFWCUVJHNO-ZDUSSCGKSA-N -1 1 372.245 2.200 20 0 FEADMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000188344526 328081991 /nfs/dbraw/zinc/08/19/91/328081991.db2.gz YVKJECXWPMGZCL-GFCCVEGCSA-N -1 1 359.369 2.294 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000188716578 328106162 /nfs/dbraw/zinc/10/61/62/328106162.db2.gz ZISAKDCAIQKVLQ-GFCCVEGCSA-N -1 1 372.473 2.308 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1 ZINC000188949981 328119442 /nfs/dbraw/zinc/11/94/42/328119442.db2.gz WDIXEABPHIQJMY-UHFFFAOYSA-N -1 1 362.451 2.333 20 0 FEADMM COc1ccc(F)cc1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000189305132 328139853 /nfs/dbraw/zinc/13/98/53/328139853.db2.gz AMHFTGNNVLQQIB-UHFFFAOYSA-N -1 1 365.430 2.197 20 0 FEADMM O=c1cc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c2ccc([O-])cc2o1 ZINC000189718500 328164164 /nfs/dbraw/zinc/16/41/64/328164164.db2.gz WOYSGIKFBAKHJY-UHFFFAOYSA-N -1 1 366.421 2.421 20 0 FEADMM C[C@H](CNC(=O)c1cc(Br)ccc1[O-])N1CCCCC1=O ZINC000190302375 328199029 /nfs/dbraw/zinc/19/90/29/328199029.db2.gz YTQULSMUFXPMSH-SNVBAGLBSA-N -1 1 355.232 2.286 20 0 FEADMM C[C@H](O)CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190763883 328231145 /nfs/dbraw/zinc/23/11/45/328231145.db2.gz HTMXNJBEAIRSCM-LURJTMIESA-N -1 1 360.632 2.291 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)N1CCCC1 ZINC000191866521 328285777 /nfs/dbraw/zinc/28/57/77/328285777.db2.gz JFOLIMCALGTTGC-UHFFFAOYSA-N -1 1 355.218 2.033 20 0 FEADMM O=S(=O)([N-]CC(F)(F)C(F)F)c1cnn(-c2ccccc2F)c1 ZINC000192136010 328301947 /nfs/dbraw/zinc/30/19/47/328301947.db2.gz RXHSXLPMFYXWHU-UHFFFAOYSA-N -1 1 355.288 2.190 20 0 FEADMM C[C@@H](CCC(=O)Nc1cc(-c2nccn2C)n[nH]1)NC(=O)OC(C)(C)C ZINC000192980742 328350425 /nfs/dbraw/zinc/35/04/25/328350425.db2.gz UWPYTAGWZNFDGK-NSHDSACASA-N -1 1 362.434 2.442 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCCOc2cccc(C)c2)n1 ZINC000195072087 328454802 /nfs/dbraw/zinc/45/48/02/328454802.db2.gz HXDDFCVBECVLSK-UHFFFAOYSA-N -1 1 361.467 2.318 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000016101360 324384767 /nfs/dbraw/zinc/38/47/67/324384767.db2.gz ZFDDAINAFGPJRY-UHFFFAOYSA-N -1 1 374.871 2.391 20 0 FEADMM O=C(NCCn1cccc1)c1cc(I)ccc1[O-] ZINC000225020532 328483282 /nfs/dbraw/zinc/48/32/82/328483282.db2.gz AWYMKRUYWFOXAD-UHFFFAOYSA-N -1 1 356.163 2.228 20 0 FEADMM O=C(NC[C@@H]1CCCCO1)c1ccc(I)c([O-])c1 ZINC000230890601 328487193 /nfs/dbraw/zinc/48/71/93/328487193.db2.gz XZWOUILJYAVPAG-JTQLQIEISA-N -1 1 361.179 2.296 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000078677384 325057365 /nfs/dbraw/zinc/05/73/65/325057365.db2.gz YTQVCMDKOSWOSE-UHFFFAOYSA-N -1 1 350.421 2.372 20 0 FEADMM CC(=O)Nc1cccc2c1CCN(C(=O)c1nc3ccccc3c(=O)[n-]1)C2 ZINC000079417985 325090244 /nfs/dbraw/zinc/09/02/44/325090244.db2.gz SOZPHWZBSWENQW-UHFFFAOYSA-N -1 1 362.389 2.492 20 0 FEADMM CN(C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1)c1nccs1 ZINC000079949349 325111626 /nfs/dbraw/zinc/11/16/26/325111626.db2.gz JGNFYHMEBNUFIH-UHFFFAOYSA-N -1 1 359.451 2.406 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1 ZINC000080938351 325149121 /nfs/dbraw/zinc/14/91/21/325149121.db2.gz OMECHLNZVQOPLV-UHFFFAOYSA-N -1 1 354.453 2.421 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081838443 325201446 /nfs/dbraw/zinc/20/14/46/325201446.db2.gz DMRVNFRTFREFKV-SNVBAGLBSA-N -1 1 359.474 2.087 20 0 FEADMM Cn1c([C@H]2CCCN(C(=O)C[C@@H](O)c3cccc(F)c3)C2)n[n-]c1=S ZINC000091442607 325386662 /nfs/dbraw/zinc/38/66/62/325386662.db2.gz HRTQKMFJFDCHAS-GXTWGEPZSA-N -1 1 364.446 2.446 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000110888533 325694927 /nfs/dbraw/zinc/69/49/27/325694927.db2.gz VKFHQKUYCGFLRW-CQSZACIVSA-N -1 1 373.482 2.157 20 0 FEADMM Cc1ccccc1[C@H](O)CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000112396305 325778158 /nfs/dbraw/zinc/77/81/58/325778158.db2.gz LRRVLDGQAZYRIR-QGZVFWFLSA-N -1 1 368.437 2.143 20 0 FEADMM O=S(=O)([N-]c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000112850662 325808364 /nfs/dbraw/zinc/80/83/64/325808364.db2.gz HUOJTXSZPBSQLS-UHFFFAOYSA-N -1 1 366.464 2.272 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCOc1ccc(Cl)cc1 ZINC000114156783 325875566 /nfs/dbraw/zinc/87/55/66/325875566.db2.gz ISPNEGSVMITAAH-UHFFFAOYSA-N -1 1 374.828 2.378 20 0 FEADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)nc2)CC1 ZINC000116601287 326026748 /nfs/dbraw/zinc/02/67/48/326026748.db2.gz RNBMMEHEYFTHBD-UHFFFAOYSA-N -1 1 372.494 2.123 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000118374929 326089866 /nfs/dbraw/zinc/08/98/66/326089866.db2.gz AHSMKBDMVSHGNJ-OLZOCXBDSA-N -1 1 358.467 2.035 20 0 FEADMM COc1ccc([C@H](CNC(=O)c2c([O-])cccc2F)N2CCOCC2)cc1 ZINC000119276342 326144521 /nfs/dbraw/zinc/14/45/21/326144521.db2.gz WRNSJHLYGNFKNR-KRWDZBQOSA-N -1 1 374.412 2.343 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(F)cc2NC2CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000119336307 326150797 /nfs/dbraw/zinc/15/07/97/326150797.db2.gz UOIPJBQWGVKSMS-UHFFFAOYSA-N -1 1 369.356 2.298 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)co1 ZINC000119672876 326186446 /nfs/dbraw/zinc/18/64/46/326186446.db2.gz XOQJWXKSPQBZJX-OAHLLOKOSA-N -1 1 363.439 2.340 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119822798 326202428 /nfs/dbraw/zinc/20/24/28/326202428.db2.gz FDMANESYCRHXSJ-MRXNPFEDSA-N -1 1 374.462 2.186 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000120931501 326299615 /nfs/dbraw/zinc/29/96/15/326299615.db2.gz NWUASQSXHMSAGM-CQSZACIVSA-N -1 1 371.485 2.204 20 0 FEADMM O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1c([O-])cccc1F ZINC000121093563 326312537 /nfs/dbraw/zinc/31/25/37/326312537.db2.gz PQZRFHLKAGJGQB-INIZCTEOSA-N -1 1 362.376 2.474 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)co1 ZINC000121479242 326341405 /nfs/dbraw/zinc/34/14/05/326341405.db2.gz PMXKMFAYLXVJFP-CQSZACIVSA-N -1 1 352.387 2.304 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(Cn2ccnn2)CC1 ZINC000121492960 326342893 /nfs/dbraw/zinc/34/28/93/326342893.db2.gz JDBKACLKEIRGOL-UHFFFAOYSA-N -1 1 365.231 2.299 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1OCC(F)F)c1cc(F)ccc1F ZINC000121988284 326379686 /nfs/dbraw/zinc/37/96/86/326379686.db2.gz RCPFYZNLTXIIMK-UHFFFAOYSA-N -1 1 364.320 2.482 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)CO)cc1 ZINC000124892594 326461855 /nfs/dbraw/zinc/46/18/55/326461855.db2.gz MDUUPTNJKGNIAL-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(C)cc3s2)co1 ZINC000130092266 326551165 /nfs/dbraw/zinc/55/11/65/326551165.db2.gz LVNHZLKIMGJHRB-UHFFFAOYSA-N -1 1 351.409 2.358 20 0 FEADMM CCOC(=O)Cn1cnc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)n1 ZINC000133648021 326612511 /nfs/dbraw/zinc/61/25/11/326612511.db2.gz RTMDRGSLDNVVTR-UHFFFAOYSA-N -1 1 373.438 2.075 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)co1 ZINC000152129976 326699487 /nfs/dbraw/zinc/69/94/87/326699487.db2.gz DRZAALNYTMZJOZ-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1nnc2ccccn21 ZINC000154485220 326761187 /nfs/dbraw/zinc/76/11/87/326761187.db2.gz XPLZYLOMDGRBNB-MRVPVSSYSA-N -1 1 356.329 2.186 20 0 FEADMM CC[C@H](CCO)CNC(=O)c1cc(I)ccc1[O-] ZINC000155465700 326788699 /nfs/dbraw/zinc/78/86/99/326788699.db2.gz RBCWAGVATUOKCU-SECBINFHSA-N -1 1 363.195 2.135 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2CSC)co1 ZINC000155882705 326809006 /nfs/dbraw/zinc/80/90/06/326809006.db2.gz LMXIXDGHPDDMLZ-UHFFFAOYSA-N -1 1 372.443 2.120 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2SC)co1 ZINC000156143296 326818909 /nfs/dbraw/zinc/81/89/09/326818909.db2.gz QXZVCJVGAAGPQD-UHFFFAOYSA-N -1 1 354.453 2.148 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(C(F)(F)F)CC2)co1 ZINC000162282206 327021551 /nfs/dbraw/zinc/02/15/51/327021551.db2.gz DQYLFQJFTSWOOX-UHFFFAOYSA-N -1 1 354.350 2.039 20 0 FEADMM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000163236333 327046619 /nfs/dbraw/zinc/04/66/19/327046619.db2.gz BTSFDXSOJDYAQU-LURJTMIESA-N -1 1 366.313 2.156 20 0 FEADMM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000170655149 327091401 /nfs/dbraw/zinc/09/14/01/327091401.db2.gz IOENTIXQAZSSBN-UHFFFAOYSA-N -1 1 354.378 2.499 20 0 FEADMM O=C(N[C@H]1CCCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000170937184 327108120 /nfs/dbraw/zinc/10/81/20/327108120.db2.gz JZXKCRHEWQLJIN-INIZCTEOSA-N -1 1 360.435 2.396 20 0 FEADMM O=C(N[C@@H]1CCCOC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000170936808 327108122 /nfs/dbraw/zinc/10/81/22/327108122.db2.gz SYZYOWZZBQDGLI-MRXNPFEDSA-N -1 1 360.435 2.396 20 0 FEADMM O=C(N[C@H]1CCCOC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000170937193 327108404 /nfs/dbraw/zinc/10/84/04/327108404.db2.gz DYMQUKFTVNNFOJ-INIZCTEOSA-N -1 1 360.435 2.396 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CN1c1ccccc1 ZINC000171084434 327116617 /nfs/dbraw/zinc/11/66/17/327116617.db2.gz YGCUHFIFGYIMLA-NSHDSACASA-N -1 1 352.362 2.049 20 0 FEADMM O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ncccc1[O-] ZINC000171282204 327129442 /nfs/dbraw/zinc/12/94/42/327129442.db2.gz BFRMKJHUDSNVNJ-HNNXBMFYSA-N -1 1 361.829 2.244 20 0 FEADMM O=C(CCCc1ccccc1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000171293517 327129979 /nfs/dbraw/zinc/12/99/79/327129979.db2.gz KQGMWVZRMWLOTI-UHFFFAOYSA-N -1 1 353.422 2.095 20 0 FEADMM COc1cc(CNC(=O)c2ncccc2[O-])cc(Br)c1OC ZINC000171298101 327130423 /nfs/dbraw/zinc/13/04/23/327130423.db2.gz GOVKZJPLRMSJGH-UHFFFAOYSA-N -1 1 367.199 2.497 20 0 FEADMM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000172616606 327211753 /nfs/dbraw/zinc/21/17/53/327211753.db2.gz ZKUJJYHLPHKOGG-VIFPVBQESA-N -1 1 357.646 2.156 20 0 FEADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)n1cncn1 ZINC000172832964 327221340 /nfs/dbraw/zinc/22/13/40/327221340.db2.gz GVEPLORZWAOLST-CYBMUJFWSA-N -1 1 371.422 2.279 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000172920914 327226212 /nfs/dbraw/zinc/22/62/12/327226212.db2.gz BJXNUGAUWJOHHC-GFCCVEGCSA-N -1 1 370.478 2.479 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000174344240 327321224 /nfs/dbraw/zinc/32/12/24/327321224.db2.gz ZNXBQAJZBGIKGR-JTQLQIEISA-N -1 1 374.391 2.380 20 0 FEADMM NC(=O)COc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000174564025 327335176 /nfs/dbraw/zinc/33/51/76/327335176.db2.gz GOBUOFBRCKTANI-UHFFFAOYSA-N -1 1 350.374 2.340 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)cc1C ZINC000174570499 327335564 /nfs/dbraw/zinc/33/55/64/327335564.db2.gz QASIXTLULMBWIG-QGZVFWFLSA-N -1 1 374.462 2.311 20 0 FEADMM CC(=O)N1CCC(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000174730107 327346337 /nfs/dbraw/zinc/34/63/37/327346337.db2.gz FRRBRIDNNWYDMU-UHFFFAOYSA-N -1 1 355.442 2.119 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1ccco1 ZINC000175358774 327388957 /nfs/dbraw/zinc/38/89/57/327388957.db2.gz BDDSLLUOSBEWRF-CQSZACIVSA-N -1 1 365.386 2.270 20 0 FEADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000176034388 327429424 /nfs/dbraw/zinc/42/94/24/327429424.db2.gz VBCVOOCEFJHINO-SECBINFHSA-N -1 1 362.323 2.422 20 0 FEADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ncccc1[O-] ZINC000176434633 327455736 /nfs/dbraw/zinc/45/57/36/327455736.db2.gz XEIVMHBYMAZGGC-LLVKDONJSA-N -1 1 370.327 2.318 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)cc1F ZINC000176692485 327470438 /nfs/dbraw/zinc/47/04/38/327470438.db2.gz MFAPTNWMOQENTF-UHFFFAOYSA-N -1 1 370.377 2.476 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)nc1Cl ZINC000178703996 327601266 /nfs/dbraw/zinc/60/12/66/327601266.db2.gz WKKDOCKHYIVVBS-ZWNOBZJWSA-N -1 1 359.234 2.325 20 0 FEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2sccc2Br)no1 ZINC000264156882 328995817 /nfs/dbraw/zinc/99/58/17/328995817.db2.gz DYAYEXQJPTYFCI-UHFFFAOYSA-N -1 1 366.262 2.416 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCC(=O)Nc2ccccc2)c(=O)[n-]1 ZINC000264827323 329065011 /nfs/dbraw/zinc/06/50/11/329065011.db2.gz HGUNXGMRRNRQSE-UHFFFAOYSA-N -1 1 361.423 2.327 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000265126867 329094092 /nfs/dbraw/zinc/09/40/92/329094092.db2.gz FRLLHUBFLHNFBU-UWVGGRQHSA-N -1 1 364.389 2.029 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCSC[C@@H]1C ZINC000265713803 329152796 /nfs/dbraw/zinc/15/27/96/329152796.db2.gz HZOVXDHBNLCTAZ-LBPRGKRZSA-N -1 1 358.467 2.449 20 0 FEADMM CCOC(=O)[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@H](C)CC ZINC000266328398 329212050 /nfs/dbraw/zinc/21/20/50/329212050.db2.gz TXTDWYIMCNHLOG-QMTHXVAHSA-N -1 1 369.487 2.239 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCNC(=O)OC(C)(C)C ZINC000266937759 329274551 /nfs/dbraw/zinc/27/45/51/329274551.db2.gz ABVSMQUMCYNVBB-UHFFFAOYSA-N -1 1 352.435 2.043 20 0 FEADMM COc1ccc(OC)c(CCNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000266990709 329280696 /nfs/dbraw/zinc/28/06/96/329280696.db2.gz VCAFVGCGOHMWAZ-UHFFFAOYSA-N -1 1 363.439 2.202 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000267016278 329283363 /nfs/dbraw/zinc/28/33/63/329283363.db2.gz OQNROSUQCCQUQV-UHFFFAOYSA-N -1 1 370.453 2.420 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCc1nc2ccccc2n1C ZINC000267190355 329301056 /nfs/dbraw/zinc/30/10/56/329301056.db2.gz WUBXHRIEIFBFSL-UHFFFAOYSA-N -1 1 371.466 2.462 20 0 FEADMM NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000267262750 329308398 /nfs/dbraw/zinc/30/83/98/329308398.db2.gz KUKKQHFBFQUBNY-RQJHMYQMSA-N -1 1 357.284 2.377 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)no1 ZINC000267823613 329360851 /nfs/dbraw/zinc/36/08/51/329360851.db2.gz YNCUJMILKQCRGB-GFCCVEGCSA-N -1 1 362.411 2.137 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000268926553 329469026 /nfs/dbraw/zinc/46/90/26/329469026.db2.gz AVLRDABVOWJUIT-UHFFFAOYSA-N -1 1 351.380 2.276 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000269108632 329486571 /nfs/dbraw/zinc/48/65/71/329486571.db2.gz BSVHGTLMVVYPMF-RYUDHWBXSA-N -1 1 351.472 2.135 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000269819692 329551767 /nfs/dbraw/zinc/55/17/67/329551767.db2.gz JTNOYMOJTBSXLX-AWEZNQCLSA-N -1 1 359.451 2.456 20 0 FEADMM CCCCN(CCO)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000270121095 329576118 /nfs/dbraw/zinc/57/61/18/329576118.db2.gz JVTCWRLNFNDGIF-UHFFFAOYSA-N -1 1 358.442 2.106 20 0 FEADMM COc1ccc(NC(=O)c2cc(C(C)C)on2)cc1[N-]S(C)(=O)=O ZINC000270665829 329620023 /nfs/dbraw/zinc/62/00/23/329620023.db2.gz OCBZNGBKUFYCEK-UHFFFAOYSA-N -1 1 353.400 2.430 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1(C)C ZINC000271928910 329738123 /nfs/dbraw/zinc/73/81/23/329738123.db2.gz LWQBKGRROOEJAA-MZPVMMEZSA-N -1 1 370.453 2.271 20 0 FEADMM C[C@H](O)C(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000272879809 329820512 /nfs/dbraw/zinc/82/05/12/329820512.db2.gz VIKBHMFPNRSYLT-ZDUSSCGKSA-N -1 1 362.451 2.377 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@@]12CCCO2 ZINC000273567492 329875446 /nfs/dbraw/zinc/87/54/46/329875446.db2.gz FZDGJZLUOIJYQP-JMSVASOKSA-N -1 1 365.373 2.109 20 0 FEADMM Cc1ccc(C)c(Cc2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)c1 ZINC000273682643 329883803 /nfs/dbraw/zinc/88/38/03/329883803.db2.gz IJHQHNJCPGPBAI-UHFFFAOYSA-N -1 1 367.471 2.122 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1Cc1nc(CCC(F)(F)F)no1 ZINC000273823902 329894873 /nfs/dbraw/zinc/89/48/73/329894873.db2.gz NZOYAUZKRSNPHC-UHFFFAOYSA-N -1 1 366.303 2.416 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1cccc(C)c1C ZINC000274637286 329966763 /nfs/dbraw/zinc/96/67/63/329966763.db2.gz LKDXSIHZFIOBOD-HNNXBMFYSA-N -1 1 352.412 2.015 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)c1cccc(C)c1C ZINC000276190873 330127545 /nfs/dbraw/zinc/12/75/45/330127545.db2.gz LWQCMPVXNDHAKF-NUEKZKHPSA-N -1 1 355.456 2.004 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)ccc1F ZINC000276320085 330140385 /nfs/dbraw/zinc/14/03/85/330140385.db2.gz GVGAIPNYGYZXMH-UHFFFAOYSA-N -1 1 355.391 2.252 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c([O-])c1 ZINC000331791741 330201415 /nfs/dbraw/zinc/20/14/15/330201415.db2.gz KGZFEZBGQUKPLZ-AWEZNQCLSA-N -1 1 354.410 2.290 20 0 FEADMM COc1ccc(NC(=O)NCCC2(F)CCC2)cc1[N-]S(C)(=O)=O ZINC000554264616 674310124 /nfs/dbraw/zinc/31/01/24/674310124.db2.gz YBKGNQYYUHJZEV-UHFFFAOYSA-N -1 1 359.423 2.471 20 0 FEADMM Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cn[n-]n2)ccc1Br ZINC000805603620 674347053 /nfs/dbraw/zinc/34/70/53/674347053.db2.gz RAGJYNSYZABMCO-MRVPVSSYSA-N -1 1 353.176 2.060 20 0 FEADMM Cn1cccc1CNC(=O)c1ccc(I)c([O-])c1 ZINC000230900228 518195253 /nfs/dbraw/zinc/19/52/53/518195253.db2.gz QRKKOJNLKGGWHG-UHFFFAOYSA-N -1 1 356.163 2.265 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c(C(F)(F)F)n1 ZINC000555304256 674355637 /nfs/dbraw/zinc/35/56/37/674355637.db2.gz LKLLFTBCIUQHKG-UHFFFAOYSA-N -1 1 370.356 2.466 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2n[nH]c(=O)cc2C1 ZINC000555291165 674355296 /nfs/dbraw/zinc/35/52/96/674355296.db2.gz TVPPCLWWVUKIJD-UHFFFAOYSA-N -1 1 356.769 2.288 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@@H]1n1cccn1 ZINC000555474574 674363512 /nfs/dbraw/zinc/36/35/12/674363512.db2.gz XHXALMGCYKIIES-MCIONIFRSA-N -1 1 373.837 2.373 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000155343983 545515246 /nfs/dbraw/zinc/51/52/46/545515246.db2.gz GQVWBRRPHYDQGI-UHFFFAOYSA-N -1 1 370.438 2.205 20 0 FEADMM CCCCCc1n[n-]c(=NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)s1 ZINC000488852778 538771087 /nfs/dbraw/zinc/77/10/87/538771087.db2.gz CVBDVMVHUOVAIU-OLZOCXBDSA-N -1 1 355.508 2.190 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(ccc(F)c3C)s2)co1 ZINC000156256982 545611521 /nfs/dbraw/zinc/61/15/21/545611521.db2.gz MWFSEMVZZYNADR-UHFFFAOYSA-N -1 1 369.399 2.497 20 0 FEADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000477314848 561142041 /nfs/dbraw/zinc/14/20/41/561142041.db2.gz PYTJGQKBSZOWLL-JOCHJYFZSA-N -1 1 353.421 2.095 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1nn[n-]n1 ZINC000156545069 545634929 /nfs/dbraw/zinc/63/49/29/545634929.db2.gz WBHYCGAWGVSCLY-CYBMUJFWSA-N -1 1 361.409 2.414 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000477391868 561143709 /nfs/dbraw/zinc/14/37/09/561143709.db2.gz KIVQMASSMYYHQE-UHFFFAOYSA-N -1 1 372.402 2.044 20 0 FEADMM O=C(CCN1C(=O)CCc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000156891033 545673776 /nfs/dbraw/zinc/67/37/76/545673776.db2.gz ROVKYAKILDVADG-UHFFFAOYSA-N -1 1 353.304 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C)sc3c2)co1 ZINC000158373846 545853439 /nfs/dbraw/zinc/85/34/39/545853439.db2.gz VVAJWFJUTLEXCC-UHFFFAOYSA-N -1 1 351.409 2.358 20 0 FEADMM CCOC(=O)c1ccn(-c2cccc(CNC(=O)c3ncccc3[O-])c2)n1 ZINC000478195594 561161842 /nfs/dbraw/zinc/16/18/42/561161842.db2.gz MFZGLIAVBUPCQJ-UHFFFAOYSA-N -1 1 366.377 2.080 20 0 FEADMM COc1ccc2c(c1)[nH]cc(C(=O)N[C@@H]1CCN(c3ccccn3)C1)c2=O ZINC000159014788 545914986 /nfs/dbraw/zinc/91/49/86/545914986.db2.gz UBRBNPMMUCIBST-CYBMUJFWSA-N -1 1 364.405 2.353 20 0 FEADMM CCCOc1ccc(C(C)(C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000478525888 561168864 /nfs/dbraw/zinc/16/88/64/561168864.db2.gz DITOGEKCZAYBRL-UHFFFAOYSA-N -1 1 371.437 2.357 20 0 FEADMM C[C@@H](CN(C)C(=O)CCn1c2ccccc2nc1C1CC1)c1nn[n-]n1 ZINC000478594207 561170438 /nfs/dbraw/zinc/17/04/38/561170438.db2.gz GJXIOPPQYPRQAD-LBPRGKRZSA-N -1 1 353.430 2.079 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)[O-])c(C)o1 ZINC000478674915 561172460 /nfs/dbraw/zinc/17/24/60/561172460.db2.gz LJWWSNXQYXEMID-UHFFFAOYSA-N -1 1 367.379 2.490 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)cc1F ZINC000170664259 546168915 /nfs/dbraw/zinc/16/89/15/546168915.db2.gz GKYOFFFWBFMSAX-UHFFFAOYSA-N -1 1 352.343 2.080 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)o1 ZINC000479215469 561185066 /nfs/dbraw/zinc/18/50/66/561185066.db2.gz WWRIQELDHSIHRE-ZDUSSCGKSA-N -1 1 365.407 2.485 20 0 FEADMM O=C1N=NCN1c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479543576 561191683 /nfs/dbraw/zinc/19/16/83/561191683.db2.gz LGANHWGUPRHAEH-UHFFFAOYSA-N -1 1 373.419 2.383 20 0 FEADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)COC4)ccc2NC1=O ZINC000479542499 561191770 /nfs/dbraw/zinc/19/17/70/561191770.db2.gz KBEHYGWPAWJPNQ-UHFFFAOYSA-N -1 1 359.407 2.495 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C)COCc1ccccc1 ZINC000176099570 546406721 /nfs/dbraw/zinc/40/67/21/546406721.db2.gz XWAWYGYHYGERNZ-LBPRGKRZSA-N -1 1 361.467 2.383 20 0 FEADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ncccc1[O-] ZINC000176434188 546445947 /nfs/dbraw/zinc/44/59/47/546445947.db2.gz UIFDESICBMMCCS-GFCCVEGCSA-N -1 1 370.327 2.318 20 0 FEADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(C)(C)O)cc1 ZINC000176515119 546456196 /nfs/dbraw/zinc/45/61/96/546456196.db2.gz ALJLDAZEOWALJC-UHFFFAOYSA-N -1 1 364.471 2.284 20 0 FEADMM CCC[C@@H](NC(=O)CSc1nc2ccccc2n1CC)c1nn[n-]n1 ZINC000176766737 546485269 /nfs/dbraw/zinc/48/52/69/546485269.db2.gz KJSBFDCOLNZJRW-GFCCVEGCSA-N -1 1 359.459 2.319 20 0 FEADMM CCC[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1nn[n-]n1 ZINC000176767355 546485394 /nfs/dbraw/zinc/48/53/94/546485394.db2.gz ORIKUMFXWOXJPT-CQSZACIVSA-N -1 1 356.455 2.447 20 0 FEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177029090 546526312 /nfs/dbraw/zinc/52/63/12/546526312.db2.gz QAURGZXLPIPPRO-QDXKXIGTSA-N -1 1 369.446 2.494 20 0 FEADMM COCCNc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000480824830 561217591 /nfs/dbraw/zinc/21/75/91/561217591.db2.gz WCFAGMZCDSMBJD-UHFFFAOYSA-N -1 1 369.381 2.055 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cncc([O-])c1 ZINC000178068872 546733955 /nfs/dbraw/zinc/73/39/55/546733955.db2.gz DLQLLWJHZWAIOR-GFCCVEGCSA-N -1 1 370.327 2.267 20 0 FEADMM O=S(=O)([N-][C@H](CO)C1CCOCC1)c1cc(Cl)sc1Cl ZINC000481562804 561236168 /nfs/dbraw/zinc/23/61/68/561236168.db2.gz MQMPAYAAYOUMEJ-MRVPVSSYSA-N -1 1 360.284 2.121 20 0 FEADMM CS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000481611612 561237312 /nfs/dbraw/zinc/23/73/12/561237312.db2.gz LPVGRKGBNVSTRQ-UHFFFAOYSA-N -1 1 371.418 2.367 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)co1 ZINC000179321547 546932041 /nfs/dbraw/zinc/93/20/41/546932041.db2.gz DTQSUXIJKUKACN-MRXNPFEDSA-N -1 1 362.451 2.425 20 0 FEADMM CC(C)c1nc([C@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)no1 ZINC000179523734 546971332 /nfs/dbraw/zinc/97/13/32/546971332.db2.gz CUUZHEBCNBCXDU-GFCCVEGCSA-N -1 1 356.386 2.158 20 0 FEADMM O=C(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000179602191 546983968 /nfs/dbraw/zinc/98/39/68/546983968.db2.gz SNMFMNODLWDHOK-UHFFFAOYSA-N -1 1 358.419 2.196 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1CN1CCOCC1 ZINC000180606707 547140044 /nfs/dbraw/zinc/14/00/44/547140044.db2.gz CVNDWUICZAWRPP-CYBMUJFWSA-N -1 1 358.360 2.348 20 0 FEADMM COC(=O)CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](C)C1 ZINC000180881477 547201283 /nfs/dbraw/zinc/20/12/83/547201283.db2.gz GFNOCNLRSWCMGX-NSHDSACASA-N -1 1 374.359 2.120 20 0 FEADMM C[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(Cl)s1 ZINC000181031330 547235128 /nfs/dbraw/zinc/23/51/28/547235128.db2.gz OYSDLMZNMVMGFW-ZETCQYMHSA-N -1 1 360.844 2.497 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCc1ccccc1O ZINC000181089582 547247538 /nfs/dbraw/zinc/24/75/38/547247538.db2.gz ZKQWTEGCHCNKPU-UHFFFAOYSA-N -1 1 352.387 2.474 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@@H](c3cccc(F)c3)C1)c2=O ZINC000181916849 547403904 /nfs/dbraw/zinc/40/39/04/547403904.db2.gz GJKTVQVGTCEEDD-OAHLLOKOSA-N -1 1 356.357 2.027 20 0 FEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181942930 547410210 /nfs/dbraw/zinc/41/02/10/547410210.db2.gz PMJFCPALYZGFDP-JTQLQIEISA-N -1 1 352.387 2.012 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCc3ccccc32)o1 ZINC000182038235 547426313 /nfs/dbraw/zinc/42/63/13/547426313.db2.gz YTOHVPHIVQPBQY-SFHVURJKSA-N -1 1 362.451 2.212 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000182159621 547446276 /nfs/dbraw/zinc/44/62/76/547446276.db2.gz OXYXVWJTCVFCIS-INIZCTEOSA-N -1 1 369.465 2.460 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)Cn2c(C)cc(O)cc2=O)c1 ZINC000182927468 547574673 /nfs/dbraw/zinc/57/46/73/547574673.db2.gz BRHAMPBJAFBCOJ-UHFFFAOYSA-N -1 1 367.199 2.278 20 0 FEADMM NC(=O)CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000484249335 561294547 /nfs/dbraw/zinc/29/45/47/561294547.db2.gz TXZKDOFXEDJYRQ-UHFFFAOYSA-N -1 1 361.423 2.082 20 0 FEADMM Cc1cc(N2C[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)ccc1F ZINC000183083215 547597663 /nfs/dbraw/zinc/59/76/63/547597663.db2.gz YZRCYMYOQSVQHS-QMMMGPOBSA-N -1 1 371.294 2.263 20 0 FEADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2Cl)CCOCC1)c1nn[n-]n1 ZINC000183394143 547649186 /nfs/dbraw/zinc/64/91/86/547649186.db2.gz DPOOBKOVPSOBAP-LBPRGKRZSA-N -1 1 363.849 2.163 20 0 FEADMM CCOc1c(Cl)cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1OC ZINC000183402447 547651948 /nfs/dbraw/zinc/65/19/48/547651948.db2.gz LFVQTOZZMHNPMH-SECBINFHSA-N -1 1 353.810 2.136 20 0 FEADMM CC(C)CC(=O)Nc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1F ZINC000183407320 547652694 /nfs/dbraw/zinc/65/26/94/547652694.db2.gz XFXFGPJGLOTQQE-NSHDSACASA-N -1 1 362.409 2.199 20 0 FEADMM COc1ccc(-c2nc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cs2)cc1 ZINC000183448929 547661801 /nfs/dbraw/zinc/66/18/01/547661801.db2.gz VVXLFHKDHGUXJE-SNVBAGLBSA-N -1 1 358.427 2.208 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000484591064 561300787 /nfs/dbraw/zinc/30/07/87/561300787.db2.gz MXLHKRLXFVSMRN-UHFFFAOYSA-N -1 1 371.342 2.267 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4cccs4)C(=O)C3)cnc2n1 ZINC000183858609 547730610 /nfs/dbraw/zinc/73/06/10/547730610.db2.gz ZQBAXKDMIILIPP-UHFFFAOYSA-N -1 1 368.418 2.194 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(c3cccs3)C(=O)C1)c2=O ZINC000183858609 547730616 /nfs/dbraw/zinc/73/06/16/547730616.db2.gz ZQBAXKDMIILIPP-UHFFFAOYSA-N -1 1 368.418 2.194 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000184995097 547914667 /nfs/dbraw/zinc/91/46/67/547914667.db2.gz IHMVYWCQNQERMJ-GFCCVEGCSA-N -1 1 354.472 2.269 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c(F)c1 ZINC000185123968 547936799 /nfs/dbraw/zinc/93/67/99/547936799.db2.gz UZVRTKSIDJWSFA-CQSZACIVSA-N -1 1 370.446 2.163 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3C)o1 ZINC000485895714 561331651 /nfs/dbraw/zinc/33/16/51/561331651.db2.gz DFSHTYSWQDBGBV-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM Cc1c(CNC(=O)CNC(=O)c2ncccc2[O-])oc2ccc(F)cc12 ZINC000485991251 561334509 /nfs/dbraw/zinc/33/45/09/561334509.db2.gz QYFDVAJSKVXVMU-UHFFFAOYSA-N -1 1 357.341 2.027 20 0 FEADMM O=S(=O)([N-]c1nc2ccc(F)cc2[nH]1)c1ccccc1Cn1cncn1 ZINC000486570180 561351147 /nfs/dbraw/zinc/35/11/47/561351147.db2.gz DBAUJRHKYFTKRV-UHFFFAOYSA-N -1 1 372.385 2.143 20 0 FEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000194597562 548502451 /nfs/dbraw/zinc/50/24/51/548502451.db2.gz NPEKRXCMNVTOKP-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000195064488 548571444 /nfs/dbraw/zinc/57/14/44/548571444.db2.gz STGQMRJJVLUNCJ-CQSZACIVSA-N -1 1 372.494 2.162 20 0 FEADMM CC(C)n1ccc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)n1 ZINC000195162241 548587579 /nfs/dbraw/zinc/58/75/79/548587579.db2.gz XZWZFJNEMWOWEX-UHFFFAOYSA-N -1 1 351.457 2.208 20 0 FEADMM CC(C)n1ccc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000195162241 548587586 /nfs/dbraw/zinc/58/75/86/548587586.db2.gz XZWZFJNEMWOWEX-UHFFFAOYSA-N -1 1 351.457 2.208 20 0 FEADMM Cc1ccc([C@H](CNS(=O)(=O)[N-]CC(F)(F)F)N2CCCC2)cc1 ZINC000195195857 548594700 /nfs/dbraw/zinc/59/47/00/548594700.db2.gz XYGMQPJICWGANC-AWEZNQCLSA-N -1 1 365.421 2.118 20 0 FEADMM CN(C(=O)c1ccc(I)c([O-])c1)C1CCOCC1 ZINC000230900322 548762896 /nfs/dbraw/zinc/76/28/96/548762896.db2.gz LGVYOCDNXFSPJK-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM CC(C)Cc1csc2nc(-c3ccc(S(N)(=O)=O)cn3)[n-]c(=O)c12 ZINC000487509295 561371043 /nfs/dbraw/zinc/37/10/43/561371043.db2.gz YZPZNZZTOJKCBE-UHFFFAOYSA-N -1 1 364.452 2.305 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000488116542 561383843 /nfs/dbraw/zinc/38/38/43/561383843.db2.gz XKWIWQLXCFPXNI-XMMPIXPASA-N -1 1 365.480 2.222 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396316 549123779 /nfs/dbraw/zinc/12/37/79/549123779.db2.gz OTRGQAUIJKGSMV-HONMWMINSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396316 549123781 /nfs/dbraw/zinc/12/37/81/549123781.db2.gz OTRGQAUIJKGSMV-HONMWMINSA-N -1 1 374.832 2.265 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(=O)[n-]1 ZINC000253544089 549693187 /nfs/dbraw/zinc/69/31/87/549693187.db2.gz BTWOFZYRHHJMNO-MRVWCRGKSA-N -1 1 351.472 2.075 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)o1 ZINC000490118981 561427090 /nfs/dbraw/zinc/42/70/90/561427090.db2.gz SCTRZMLTVDRWJB-UHFFFAOYSA-N -1 1 352.416 2.209 20 0 FEADMM COc1cc(C(=O)[N-]c2ccc(O)cc2SC)sc1S(N)(=O)=O ZINC000490248193 561429605 /nfs/dbraw/zinc/42/96/05/561429605.db2.gz LGGZUPSRNGCRSJ-UHFFFAOYSA-N -1 1 374.465 2.084 20 0 FEADMM CN(CCC(=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000262612408 549832162 /nfs/dbraw/zinc/83/21/62/549832162.db2.gz CDCJHFHNQBQBBE-KRWDZBQOSA-N -1 1 350.415 2.499 20 0 FEADMM CCOc1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1OCC ZINC000262643638 549834858 /nfs/dbraw/zinc/83/48/58/549834858.db2.gz HVIMIJKIFHRHHG-ZDUSSCGKSA-N -1 1 350.415 2.219 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)C1(C)CCCC1 ZINC000490590228 561435752 /nfs/dbraw/zinc/43/57/52/561435752.db2.gz FMBIJZXPWXYMTC-UHFFFAOYSA-N -1 1 362.474 2.051 20 0 FEADMM COc1ccc(-c2cc(C(=O)N([C@H](C)C(=O)[O-])C3CC3)n[nH]2)cc1OC ZINC000263566232 549908967 /nfs/dbraw/zinc/90/89/67/549908967.db2.gz WJOKBEKZVUWHBU-SNVBAGLBSA-N -1 1 359.382 2.172 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2sccc2[C@H]1C ZINC000264158289 549986158 /nfs/dbraw/zinc/98/61/58/549986158.db2.gz LXWHHBLYMPTJFK-LLVKDONJSA-N -1 1 356.451 2.389 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cncc(F)c2)c1 ZINC000268284218 550044626 /nfs/dbraw/zinc/04/46/26/550044626.db2.gz ROLPDLBUZROGNN-UHFFFAOYSA-N -1 1 367.402 2.209 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000268551986 550085596 /nfs/dbraw/zinc/08/55/96/550085596.db2.gz INAALSNGWZPRJG-OIISXLGYSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000268948610 550134998 /nfs/dbraw/zinc/13/49/98/550134998.db2.gz HWENSLQJCFLXOO-ZDUSSCGKSA-N -1 1 374.485 2.452 20 0 FEADMM CSC[C@@H]1CCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000269206026 550167646 /nfs/dbraw/zinc/16/76/46/550167646.db2.gz ZSFYNUCCJYXLHL-AWEZNQCLSA-N -1 1 358.467 2.449 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2nc(C(C)C)ncc2Cl)s1 ZINC000269774820 550224388 /nfs/dbraw/zinc/22/43/88/550224388.db2.gz BIRCKGLNVGSFPM-UHFFFAOYSA-N -1 1 369.834 2.463 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)OC)c1ccc(C)o1 ZINC000270058878 550245905 /nfs/dbraw/zinc/24/59/05/550245905.db2.gz WSQJXUFXELERMM-AWEZNQCLSA-N -1 1 367.423 2.349 20 0 FEADMM CC(C)c1nc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)n[nH]1 ZINC000270729488 550301557 /nfs/dbraw/zinc/30/15/57/550301557.db2.gz JLYMZQAADUSUJY-QMMMGPOBSA-N -1 1 358.427 2.357 20 0 FEADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000272776094 550470319 /nfs/dbraw/zinc/47/03/19/550470319.db2.gz UBAARYKXAAOYLK-CMPLNLGQSA-N -1 1 356.806 2.354 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCOCC2(CCOCC2)C1 ZINC000273556848 550502741 /nfs/dbraw/zinc/50/27/41/550502741.db2.gz VRHMVVPFWRTANI-UHFFFAOYSA-N -1 1 363.458 2.057 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1Cl ZINC000273808200 550512040 /nfs/dbraw/zinc/51/20/40/550512040.db2.gz UEHWUCDGXKNLKG-GWCFXTLKSA-N -1 1 372.874 2.108 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000273975828 550517702 /nfs/dbraw/zinc/51/77/02/550517702.db2.gz SLWVBFCULADONZ-ZJUUUORDSA-N -1 1 363.863 2.338 20 0 FEADMM Cn1cc(-c2nc3ccccn3c2NC(=O)[N-]O[C@@H]2CCCCO2)cn1 ZINC000274805992 550555875 /nfs/dbraw/zinc/55/58/75/550555875.db2.gz GTLSQMLDIPBIPR-CQSZACIVSA-N -1 1 356.386 2.315 20 0 FEADMM COCCn1c(C)cc(C(=O)CSc2nc(C(=O)OC)c[n-]2)c1C ZINC000274918472 550564665 /nfs/dbraw/zinc/56/46/65/550564665.db2.gz MJRRMWWDRHANTC-UHFFFAOYSA-N -1 1 351.428 2.236 20 0 FEADMM Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1C ZINC000274943558 550566451 /nfs/dbraw/zinc/56/64/51/550566451.db2.gz GPKSYUPMYQNLNP-MRXNPFEDSA-N -1 1 368.499 2.138 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000277192259 550641810 /nfs/dbraw/zinc/64/18/10/550641810.db2.gz TVQUMUPGTKWZRW-QWRGUYRKSA-N -1 1 360.418 2.355 20 0 FEADMM O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1cncc([O-])c1 ZINC000277304143 550654099 /nfs/dbraw/zinc/65/40/99/550654099.db2.gz PJCHPECLRJAQIA-LBPRGKRZSA-N -1 1 365.227 2.131 20 0 FEADMM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000277652837 550697021 /nfs/dbraw/zinc/69/70/21/550697021.db2.gz DTLQBTAZUUHPGN-VXNVDRBHSA-N -1 1 369.668 2.201 20 0 FEADMM CCOc1cc(-c2nc(CC(=O)NCCCOC)no2)cc(Cl)c1[O-] ZINC000278067473 550745199 /nfs/dbraw/zinc/74/51/99/550745199.db2.gz MQOOJUVKKXYMCI-UHFFFAOYSA-N -1 1 369.805 2.190 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCc1ccncc1 ZINC000495046959 561481778 /nfs/dbraw/zinc/48/17/78/561481778.db2.gz ODPCRBBCTPPXIW-UHFFFAOYSA-N -1 1 363.421 2.239 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)c2cccc(N3CCCC3=O)c2)n1 ZINC000278624183 550805486 /nfs/dbraw/zinc/80/54/86/550805486.db2.gz JZMAQWKGYIMGPC-UHFFFAOYSA-N -1 1 359.407 2.298 20 0 FEADMM O=C(NC[C@H](CO)Cc1cccnc1)c1ccc(Br)cc1[O-] ZINC000278734707 550816347 /nfs/dbraw/zinc/81/63/47/550816347.db2.gz VMKLWNQKEAMSKR-GFCCVEGCSA-N -1 1 365.227 2.131 20 0 FEADMM COc1ccc(NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000279543838 550901469 /nfs/dbraw/zinc/90/14/69/550901469.db2.gz ASAYJKNSUNTMRV-MNOVXSKESA-N -1 1 354.428 2.011 20 0 FEADMM CC(=O)c1ccc(OCCCC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000279975496 550948663 /nfs/dbraw/zinc/94/86/63/550948663.db2.gz YZLBOEIDTUSDDS-XLNRJJMWSA-N -1 1 352.394 2.342 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)co1 ZINC000280155821 550966181 /nfs/dbraw/zinc/96/61/81/550966181.db2.gz BGTKYMQFRRGOEW-SWLSCSKDSA-N -1 1 366.414 2.393 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCF)c(Br)cc1Cl ZINC000280522336 551003373 /nfs/dbraw/zinc/00/33/73/551003373.db2.gz FATMRFWDVRUTJI-UHFFFAOYSA-N -1 1 374.615 2.137 20 0 FEADMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280570600 551008561 /nfs/dbraw/zinc/00/85/61/551008561.db2.gz LNRVRRFXXAQPCW-ZETCQYMHSA-N -1 1 353.206 2.091 20 0 FEADMM O=C(NCCCc1nnc2n1CCCCC2)c1c(F)ccc([O-])c1F ZINC000280753811 551028528 /nfs/dbraw/zinc/02/85/28/551028528.db2.gz AIRLVHWENFHEQY-UHFFFAOYSA-N -1 1 350.369 2.351 20 0 FEADMM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000281460211 551100229 /nfs/dbraw/zinc/10/02/29/551100229.db2.gz FSSUIURXMVIGKV-KRWDZBQOSA-N -1 1 355.818 2.478 20 0 FEADMM CN(C)c1cccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281628150 551122430 /nfs/dbraw/zinc/12/24/30/551122430.db2.gz GKTTVXRHEZNMGW-UHFFFAOYSA-N -1 1 357.376 2.283 20 0 FEADMM O=C(COc1ccccc1F)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281644068 551124817 /nfs/dbraw/zinc/12/48/17/551124817.db2.gz HQWRIQVCTNPKQH-UHFFFAOYSA-N -1 1 362.323 2.122 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2cc(-c3ccco3)on2)CC1)C(F)(F)F ZINC000281700170 551132564 /nfs/dbraw/zinc/13/25/64/551132564.db2.gz LYGCQDNHHCBHQJ-UHFFFAOYSA-N -1 1 371.315 2.465 20 0 FEADMM O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282877608 551280867 /nfs/dbraw/zinc/28/08/67/551280867.db2.gz JBHYRNQRZIXKAT-LBPRGKRZSA-N -1 1 355.423 2.241 20 0 FEADMM Cc1cc(C)c(NC(=O)CN2CCC(c3n[n-]c(=O)o3)CC2)c(Cl)c1 ZINC000283631415 551399994 /nfs/dbraw/zinc/39/99/94/551399994.db2.gz ADBJJZVGETVELZ-UHFFFAOYSA-N -1 1 364.833 2.451 20 0 FEADMM O=S(=O)([N-][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1F ZINC000284065887 551477775 /nfs/dbraw/zinc/47/77/75/551477775.db2.gz YSQCFKMUPGGIIT-LBPRGKRZSA-N -1 1 370.837 2.216 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000284926434 551669040 /nfs/dbraw/zinc/66/90/40/551669040.db2.gz CFFHSBDWXPRRDT-OCCSQVGLSA-N -1 1 354.472 2.092 20 0 FEADMM CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(N)=O ZINC000285251744 551726825 /nfs/dbraw/zinc/72/68/25/551726825.db2.gz CKKPALHSJNOLPR-VIFPVBQESA-N -1 1 358.769 2.291 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/nfs/dbraw/zinc/74/50/13/561745013.db2.gz VWRIPNIYISPBNT-SNVBAGLBSA-N -1 1 372.303 2.131 20 0 FEADMM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000330440532 554122172 /nfs/dbraw/zinc/12/21/72/554122172.db2.gz ORRLUCFACGHEPD-RYUDHWBXSA-N -1 1 358.460 2.044 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cn1 ZINC000507922129 561746174 /nfs/dbraw/zinc/74/61/74/561746174.db2.gz YQXWPZLGMWIXSW-UHFFFAOYSA-N -1 1 353.400 2.096 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2CC(N)=O)c(=O)[n-]1 ZINC000330718326 554162787 /nfs/dbraw/zinc/16/27/87/554162787.db2.gz AJELUAUCJWZBFF-LLVKDONJSA-N -1 1 352.460 2.452 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2CCSCC2)o1 ZINC000330739150 554165192 /nfs/dbraw/zinc/16/51/92/554165192.db2.gz PSYTUIAGCBUZGB-UHFFFAOYSA-N -1 1 360.501 2.229 20 0 FEADMM CCN1CCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000330833505 554177331 /nfs/dbraw/zinc/17/73/31/554177331.db2.gz QRJHGWPIBYUVLE-NSHDSACASA-N -1 1 352.378 2.174 20 0 FEADMM CC(C)c1noc2ncc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cc21 ZINC000509292743 561793997 /nfs/dbraw/zinc/79/39/97/561793997.db2.gz BQRLHFYZFRFMPT-UHFFFAOYSA-N -1 1 357.370 2.455 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000509435805 561799694 /nfs/dbraw/zinc/79/96/94/561799694.db2.gz IYGKSOVEGOVYDP-JGVFFNPUSA-N -1 1 370.254 2.075 20 0 FEADMM CO[C@H](C)c1nc(=NCCS(=O)(=O)c2ccc(Cl)cc2)s[n-]1 ZINC000509694233 561810835 /nfs/dbraw/zinc/81/08/35/561810835.db2.gz BHBPTVVHFIYHNX-SECBINFHSA-N -1 1 361.876 2.207 20 0 FEADMM COC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000510018877 561822084 /nfs/dbraw/zinc/82/20/84/561822084.db2.gz CNZIYOHHUNFPBK-SSDOTTSWSA-N -1 1 356.227 2.093 20 0 FEADMM CC1(C)CC[C@H](NC(=O)CNC(=O)c2ncccc2[O-])c2ccccc21 ZINC000509980095 561820643 /nfs/dbraw/zinc/82/06/43/561820643.db2.gz XHJLPRMQLBISSM-HNNXBMFYSA-N -1 1 353.422 2.446 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](NC(=O)C(C)C)C3)cnc2n1 ZINC000332557207 554471528 /nfs/dbraw/zinc/47/15/28/554471528.db2.gz UJOPKBZEBYCDQH-ZDUSSCGKSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)c2=O ZINC000332557207 554471529 /nfs/dbraw/zinc/47/15/29/554471529.db2.gz UJOPKBZEBYCDQH-ZDUSSCGKSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)sc1C ZINC000333187963 554585901 /nfs/dbraw/zinc/58/59/01/554585901.db2.gz UUDHOVRJFIRPCL-KGLIPLIRSA-N -1 1 371.528 2.219 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCSC[C@H]1C1CCC1 ZINC000333250882 554594696 /nfs/dbraw/zinc/59/46/96/554594696.db2.gz CMNUEHZEZOLGBU-HNNXBMFYSA-N -1 1 360.483 2.338 20 0 FEADMM C[C@@H](N=c1ccc(N2CC[C@H](C)S(=O)(=O)CC2)n[n-]1)c1ccccc1 ZINC000333388280 554608591 /nfs/dbraw/zinc/60/85/91/554608591.db2.gz CMFAEHDMMYPZCX-LSDHHAIUSA-N -1 1 360.483 2.663 20 0 FEADMM C[C@@H](N=c1ccc(N2CCO[C@]3(CCCOC3)C2)n[n-]1)c1ccccc1 ZINC000333525753 554621077 /nfs/dbraw/zinc/62/10/77/554621077.db2.gz XAXPGWTXPIOAOX-OXQOHEQNSA-N -1 1 354.454 3.036 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000334003608 554667190 /nfs/dbraw/zinc/66/71/90/554667190.db2.gz SRFZVMQAXGYFMJ-IBGZPJMESA-N -1 1 372.469 2.258 20 0 FEADMM Cc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000511083359 561856280 /nfs/dbraw/zinc/85/62/80/561856280.db2.gz YKYHIGAETZXDFE-UHFFFAOYSA-N -1 1 353.300 2.483 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](C1CCCCC1)C(F)(F)F ZINC000511122146 561858048 /nfs/dbraw/zinc/85/80/48/561858048.db2.gz MSJXJHURFMMJQC-CQSZACIVSA-N -1 1 359.348 2.144 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000511204321 561861380 /nfs/dbraw/zinc/86/13/80/561861380.db2.gz KFBHALBCNYWZBI-HUUCEWRRSA-N -1 1 373.453 2.048 20 0 FEADMM CO[C@@](C)(c1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1)C1CC1 ZINC000350456437 554789940 /nfs/dbraw/zinc/78/99/40/554789940.db2.gz STLQOUSKJXXCGM-LJQANCHMSA-N -1 1 367.409 2.386 20 0 FEADMM Cc1ccnc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)n1 ZINC000350546415 554797042 /nfs/dbraw/zinc/79/70/42/554797042.db2.gz BBPOTZLMEDCBOZ-UHFFFAOYSA-N -1 1 361.365 2.292 20 0 FEADMM COc1cc(-c2noc(CCn3ccnn3)n2)cc(Br)c1[O-] ZINC000350586746 554800279 /nfs/dbraw/zinc/80/02/79/554800279.db2.gz BCMNSHKSKRGBTC-UHFFFAOYSA-N -1 1 366.175 2.048 20 0 FEADMM COc1cc(-c2noc(-c3cnnn3C)n2)cc(Br)c1[O-] ZINC000350609204 554802165 /nfs/dbraw/zinc/80/21/65/554802165.db2.gz NLKMXEKOXDQXLV-UHFFFAOYSA-N -1 1 352.148 2.009 20 0 FEADMM Cc1c([C@H]2[C@@H](c3nc(-c4ccc([O-])c(F)c4)no3)CC(=O)N2C)cnn1C ZINC000350614916 554802759 /nfs/dbraw/zinc/80/27/59/554802759.db2.gz YTLUGADGBGMPMQ-MEDUHNTESA-N -1 1 371.372 2.310 20 0 FEADMM CCOc1cc(-c2noc([C@H]3CCS(=O)(=O)C3)n2)cc(Cl)c1[O-] ZINC000350777475 554812496 /nfs/dbraw/zinc/81/24/96/554812496.db2.gz OSOOFJXLYWGERW-QMMMGPOBSA-N -1 1 358.803 2.396 20 0 FEADMM O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350814525 554815625 /nfs/dbraw/zinc/81/56/25/554815625.db2.gz FEIYNEMOCOWSFC-RYUDHWBXSA-N -1 1 359.357 2.299 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ncccc3SC)no2)co1 ZINC000350928278 554823074 /nfs/dbraw/zinc/82/30/74/554823074.db2.gz SBDSPYFLFXLCTD-UHFFFAOYSA-N -1 1 352.397 2.022 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4nnc(C)n4c3)no2)c1 ZINC000350939862 554824410 /nfs/dbraw/zinc/82/44/10/554824410.db2.gz KSWDCXQJINBWJE-UHFFFAOYSA-N -1 1 350.338 2.419 20 0 FEADMM Cc1ncccc1Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000351236863 554846529 /nfs/dbraw/zinc/84/65/29/554846529.db2.gz QNXUFIFNXNQLRD-LLVKDONJSA-N -1 1 364.452 2.465 20 0 FEADMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000511397966 561867889 /nfs/dbraw/zinc/86/78/89/561867889.db2.gz NFANAVJHFZLUNE-UHFFFAOYSA-N -1 1 364.320 2.439 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000362117437 554950707 /nfs/dbraw/zinc/95/07/07/554950707.db2.gz HMKQNLYRORFQFM-OAHLLOKOSA-N -1 1 353.422 2.342 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(OC[C@@H]4CCCO4)CC3)cnc2n1 ZINC000362841177 554992654 /nfs/dbraw/zinc/99/26/54/554992654.db2.gz SYKOSVMKWGPDTA-HNNXBMFYSA-N -1 1 371.437 2.444 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(OC[C@@H]3CCCO3)CC1)c2=O ZINC000362841177 554992655 /nfs/dbraw/zinc/99/26/55/554992655.db2.gz SYKOSVMKWGPDTA-HNNXBMFYSA-N -1 1 371.437 2.444 20 0 FEADMM C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)C1 ZINC000363416253 555099847 /nfs/dbraw/zinc/09/98/47/555099847.db2.gz BBWJAFPMCMDMGG-QGZVFWFLSA-N -1 1 353.466 2.397 20 0 FEADMM COc1cccc(C(C)(C)CNC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512179794 561895129 /nfs/dbraw/zinc/89/51/29/561895129.db2.gz JWRYLJYKPAFCNX-UHFFFAOYSA-N -1 1 354.410 2.390 20 0 FEADMM CCCCOCCCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000364009449 555232789 /nfs/dbraw/zinc/23/27/89/555232789.db2.gz LEYAOTOIHINSFG-UHFFFAOYSA-N -1 1 358.442 2.418 20 0 FEADMM COC[C@@](C)(O)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798727 555339755 /nfs/dbraw/zinc/33/97/55/555339755.db2.gz KDRZHVHEFOONQS-GFCCVEGCSA-N -1 1 360.233 2.237 20 0 FEADMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)[C@H]1CCC(=O)N1 ZINC000616798848 555339880 /nfs/dbraw/zinc/33/98/80/555339880.db2.gz ONQITBODUOWIJG-ZCFIWIBFSA-N -1 1 355.217 2.118 20 0 FEADMM Cc1c(Br)cccc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000365048396 555473002 /nfs/dbraw/zinc/47/30/02/555473002.db2.gz UJULYPGAEHRYKE-LBPRGKRZSA-N -1 1 364.247 2.219 20 0 FEADMM CC(=O)N[C@@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCc2ccccc21 ZINC000365119823 555490153 /nfs/dbraw/zinc/49/01/53/555490153.db2.gz VUWXKVBBJBSGOZ-HNNXBMFYSA-N -1 1 367.331 2.130 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCSCC[C@@H]1C ZINC000365142258 555494025 /nfs/dbraw/zinc/49/40/25/555494025.db2.gz GTGIYZKUFPFICO-LBPRGKRZSA-N -1 1 358.467 2.449 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCCC3(C)C)CC2)n1 ZINC000365198412 555508649 /nfs/dbraw/zinc/50/86/49/555508649.db2.gz MLNIPMYAKBXTSL-ZDUSSCGKSA-N -1 1 363.462 2.449 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccnc(F)c1F ZINC000366228877 555787201 /nfs/dbraw/zinc/78/72/01/555787201.db2.gz IDKBMVAOLUFZGW-NSHDSACASA-N -1 1 368.706 2.185 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)c2cccc(OC)c2)c1 ZINC000513845308 561952318 /nfs/dbraw/zinc/95/23/18/561952318.db2.gz PKYYLRAQXMSBNP-UHFFFAOYSA-N -1 1 367.423 2.331 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000513846303 561952337 /nfs/dbraw/zinc/95/23/37/561952337.db2.gz LGAOVPUVNJFUPE-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366663451 555903069 /nfs/dbraw/zinc/90/30/69/555903069.db2.gz QCCFUNOTVRWKAL-GFCCVEGCSA-N -1 1 371.832 2.367 20 0 FEADMM Cc1cc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1O ZINC000366667701 555904274 /nfs/dbraw/zinc/90/42/74/555904274.db2.gz DRIBLRUSTPBMQS-UHFFFAOYSA-N -1 1 350.378 2.336 20 0 FEADMM O=C(CCc1cc(Br)cs1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366709994 555915274 /nfs/dbraw/zinc/91/52/74/555915274.db2.gz MGYIMWGIJYQHBO-VIFPVBQESA-N -1 1 370.276 2.363 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOc2c(F)cccc2C1 ZINC000366732868 555920857 /nfs/dbraw/zinc/92/08/57/555920857.db2.gz YADWHZGFIVPUEA-UHFFFAOYSA-N -1 1 370.384 2.155 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000514485761 561966331 /nfs/dbraw/zinc/96/63/31/561966331.db2.gz MTSHZSNDEFVZAG-UHFFFAOYSA-N -1 1 374.796 2.327 20 0 FEADMM O=C(OC[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1)N1CCCC1 ZINC000367347199 556024558 /nfs/dbraw/zinc/02/45/58/556024558.db2.gz LPXKWDMZVFZIFU-CQSZACIVSA-N -1 1 357.414 2.185 20 0 FEADMM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000367441828 556050069 /nfs/dbraw/zinc/05/00/69/556050069.db2.gz AKZWUTOMESYBFH-STQMWFEESA-N -1 1 366.389 2.041 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1F ZINC000531912120 562461202 /nfs/dbraw/zinc/46/12/02/562461202.db2.gz MKVLFAFEJKWHTR-UHFFFAOYSA-N -1 1 355.288 2.202 20 0 FEADMM Cn1cc([C@H]2[C@@H](CN=c3nc(C(F)(F)F)[n-]s3)CCCN2C)cn1 ZINC000367729639 556124888 /nfs/dbraw/zinc/12/48/88/556124888.db2.gz QESNVXFKGNSMOP-MWLCHTKSSA-N -1 1 360.409 2.207 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(C(F)(F)F)c(OC)c1 ZINC000621992263 556197973 /nfs/dbraw/zinc/19/79/73/556197973.db2.gz RQPRKMNMWLJNNI-UHFFFAOYSA-N -1 1 356.304 2.357 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC([C@H]2CCOC2)CC1 ZINC000368169945 556236400 /nfs/dbraw/zinc/23/64/00/556236400.db2.gz ZCWAXQFRUPEMMW-INIZCTEOSA-N -1 1 372.469 2.259 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CC1(Cl)Cl ZINC000368504079 556329371 /nfs/dbraw/zinc/32/93/71/556329371.db2.gz SWIXNDBYQMHROJ-RCOVLWMOSA-N -1 1 364.595 2.392 20 0 FEADMM C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)C[C@@H](C)O1 ZINC000368542190 556339525 /nfs/dbraw/zinc/33/95/25/556339525.db2.gz DZIVKRRDGUWDKB-CHWSQXEVSA-N -1 1 364.417 2.019 20 0 FEADMM Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1nc(Br)ccc1[O-] ZINC000368541268 556339570 /nfs/dbraw/zinc/33/95/70/556339570.db2.gz YADIMWJEKDYQMO-QMMMGPOBSA-N -1 1 351.204 2.342 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000368726796 556399285 /nfs/dbraw/zinc/39/92/85/556399285.db2.gz FHDBZYQPRZAJFO-AAEUAGOBSA-N -1 1 368.227 2.365 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000368814391 556420540 /nfs/dbraw/zinc/42/05/40/556420540.db2.gz RQOHUPVWXJVGFM-HNNXBMFYSA-N -1 1 372.469 2.402 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@@H]3COc4ccccc4O3)cnc2n1 ZINC000515546328 562014919 /nfs/dbraw/zinc/01/49/19/562014919.db2.gz PRSHOOQPAJZMEM-GFCCVEGCSA-N -1 1 351.362 2.214 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@@H]1COc3ccccc3O1)c2=O ZINC000515546328 562014921 /nfs/dbraw/zinc/01/49/21/562014921.db2.gz PRSHOOQPAJZMEM-GFCCVEGCSA-N -1 1 351.362 2.214 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOCC2(CCC2)C1 ZINC000368834527 556425160 /nfs/dbraw/zinc/42/51/60/556425160.db2.gz MWWSGMZXXKYNGH-UHFFFAOYSA-N -1 1 358.442 2.013 20 0 FEADMM O=C([C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000369142046 556514867 /nfs/dbraw/zinc/51/48/67/556514867.db2.gz HVEZLTYUFUOWEY-CFVMTHIKSA-N -1 1 361.833 2.337 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)co1 ZINC000369549193 556628565 /nfs/dbraw/zinc/62/85/65/556628565.db2.gz XDHZLBZQYHGBFX-AAEUAGOBSA-N -1 1 366.414 2.393 20 0 FEADMM C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000516391448 562041536 /nfs/dbraw/zinc/04/15/36/562041536.db2.gz PWMSFRVYYZCZBO-ZETCQYMHSA-N -1 1 351.413 2.329 20 0 FEADMM CCC[C@H](NC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1)c1nn[n-]n1 ZINC000369835783 556707953 /nfs/dbraw/zinc/70/79/53/556707953.db2.gz PKBHLMCMRUFJMP-ZBFHGGJFSA-N -1 1 365.441 2.283 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000370017713 556758816 /nfs/dbraw/zinc/75/88/16/556758816.db2.gz LFANUUYUYPGNIH-ZWNOBZJWSA-N -1 1 372.450 2.136 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000370017711 556759125 /nfs/dbraw/zinc/75/91/25/556759125.db2.gz LFANUUYUYPGNIH-GXFFZTMASA-N -1 1 372.450 2.136 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000370190494 556806407 /nfs/dbraw/zinc/80/64/07/556806407.db2.gz HLJNXXMMNCKQBY-LLVKDONJSA-N -1 1 367.331 2.201 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@]12CC(C)(C)Oc1ccccc12)c1nn[n-]n1 ZINC000370231699 556818072 /nfs/dbraw/zinc/81/80/72/556818072.db2.gz SWJUMQUEOVFNJP-CFZJUORYSA-N -1 1 355.442 2.281 20 0 FEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)cc1Cl ZINC000516693819 562054728 /nfs/dbraw/zinc/05/47/28/562054728.db2.gz XFFCHALONWHZLN-UHFFFAOYSA-N -1 1 359.766 2.339 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCS1 ZINC000370377857 556854604 /nfs/dbraw/zinc/85/46/04/556854604.db2.gz VLNNZOZWQGVBHA-AWEZNQCLSA-N -1 1 358.467 2.497 20 0 FEADMM CCCCN(CC)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370863654 556995079 /nfs/dbraw/zinc/99/50/79/556995079.db2.gz XJOGWNJFTGHDMO-INIZCTEOSA-N -1 1 358.446 2.040 20 0 FEADMM O=C(C=Cc1ccc2ccc(Cl)cc2n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370866932 556995456 /nfs/dbraw/zinc/99/54/56/556995456.db2.gz IPKQYNBFBMGYJF-LLYBFZRZSA-N -1 1 370.800 2.015 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)[C@]1(CO)CCCO1)c1cc2cc(F)ccc2o1 ZINC000517072121 562074618 /nfs/dbraw/zinc/07/46/18/562074618.db2.gz AAJHUIHSRFNLIW-DLBZAZTESA-N -1 1 369.414 2.170 20 0 FEADMM O=C(NC1CCC(N2CCCS2(=O)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000371099574 557074564 /nfs/dbraw/zinc/07/45/64/557074564.db2.gz MROWDWNHRMDFJK-UHFFFAOYSA-N -1 1 372.874 2.122 20 0 FEADMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000371483583 557195400 /nfs/dbraw/zinc/19/54/00/557195400.db2.gz RPJHSBPNAKTKPN-UHFFFAOYSA-N -1 1 373.434 2.170 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2)sc1C ZINC000518136351 562105116 /nfs/dbraw/zinc/10/51/16/562105116.db2.gz ZRXPKQMAUPBMDC-ZDUSSCGKSA-N -1 1 355.460 2.456 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)cc1[N-]S(C)(=O)=O ZINC000518037867 562103171 /nfs/dbraw/zinc/10/31/71/562103171.db2.gz VZXDRXSVEQUVFA-GFCCVEGCSA-N -1 1 366.443 2.080 20 0 FEADMM C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000371788787 557293671 /nfs/dbraw/zinc/29/36/71/557293671.db2.gz AJPNNABAWUDTRO-LLVKDONJSA-N -1 1 363.414 2.090 20 0 FEADMM CC(C)C[C@H](C)S(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000372142172 557390987 /nfs/dbraw/zinc/39/09/87/557390987.db2.gz BMHTYODEZGBEBL-GXTWGEPZSA-N -1 1 353.444 2.124 20 0 FEADMM CCc1ncc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cn1 ZINC000372164585 557396980 /nfs/dbraw/zinc/39/69/80/557396980.db2.gz MMLAHFPTFFSJHU-UHFFFAOYSA-N -1 1 350.382 2.086 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000518883087 562120134 /nfs/dbraw/zinc/12/01/34/562120134.db2.gz VMIQLRHCBFSQGL-QFIPXVFZSA-N -1 1 352.437 2.183 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2COc3ccccc32)o1 ZINC000372877376 557581013 /nfs/dbraw/zinc/58/10/13/557581013.db2.gz CQSMYVAORMEKLW-WCQYABFASA-N -1 1 365.407 2.299 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCc3nc(C)sc32)c1 ZINC000373112033 557631016 /nfs/dbraw/zinc/63/10/16/557631016.db2.gz JGTSKPBNHWGOJK-NSHDSACASA-N -1 1 356.425 2.187 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@H]1Cn1ccnn1 ZINC000373308685 557670008 /nfs/dbraw/zinc/67/00/08/557670008.db2.gz BKBGULHSHDLGNA-LBPRGKRZSA-N -1 1 365.231 2.441 20 0 FEADMM CC[C@H]1CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C[C@@]2(CCCOC2)O1 ZINC000373607750 557728537 /nfs/dbraw/zinc/72/85/37/557728537.db2.gz FJONKMDOYRXGRS-YVEFUNNKSA-N -1 1 367.471 2.013 20 0 FEADMM COC(=O)[C@]12CN(C(=O)c3cc4ccccc4cc3[O-])C[C@H]1COCC2 ZINC000373692419 557739949 /nfs/dbraw/zinc/73/99/49/557739949.db2.gz CGFRFCGJAQIYEZ-MGPUTAFESA-N -1 1 355.390 2.197 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H](Nc2ncccn2)C1 ZINC000520817347 562164402 /nfs/dbraw/zinc/16/44/02/562164402.db2.gz XJWXZDCZUIDEHZ-NSHDSACASA-N -1 1 363.215 2.271 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000374989812 557960239 /nfs/dbraw/zinc/96/02/39/557960239.db2.gz YTRCZUPWQFCNAN-QGZVFWFLSA-N -1 1 361.785 2.308 20 0 FEADMM COC[C@H]1CCCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000375135846 557982310 /nfs/dbraw/zinc/98/23/10/557982310.db2.gz LYWLNVSTLHYYJM-ZDUSSCGKSA-N -1 1 353.488 2.420 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cc(C2CC2)no1 ZINC000375584864 558052497 /nfs/dbraw/zinc/05/24/97/558052497.db2.gz PNYAKLJOIOGZAA-CYBMUJFWSA-N -1 1 362.752 2.377 20 0 FEADMM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n[n-]1 ZINC000375646522 558061671 /nfs/dbraw/zinc/06/16/71/558061671.db2.gz GUZUOHMASHSTSO-QMMMGPOBSA-N -1 1 351.363 2.146 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(c3cccc(C)c3)C2)o1 ZINC000375886967 558093836 /nfs/dbraw/zinc/09/38/36/558093836.db2.gz HWCGIYWZAGMBQP-QGZVFWFLSA-N -1 1 366.414 2.207 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cn1 ZINC000521590258 562179665 /nfs/dbraw/zinc/17/96/65/562179665.db2.gz NFXVKGCKHNUJGM-GFCCVEGCSA-N -1 1 364.423 2.231 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376173580 558136587 /nfs/dbraw/zinc/13/65/87/558136587.db2.gz OPTUUFZHFSSOGL-TZMCWYRMSA-N -1 1 356.216 2.175 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@]4(CCCOC4)C3)nc2)[n-]c(=O)c1C ZINC000376200265 558140134 /nfs/dbraw/zinc/14/01/34/558140134.db2.gz OZMKHRBVACIOHM-LJQANCHMSA-N -1 1 356.426 2.247 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCN(c3ccccc3F)CC1)c2=O ZINC000376421864 558170897 /nfs/dbraw/zinc/17/08/97/558170897.db2.gz PZJFVFDSHHGQQG-UHFFFAOYSA-N -1 1 369.400 2.166 20 0 FEADMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)n1 ZINC000376538533 558187236 /nfs/dbraw/zinc/18/72/36/558187236.db2.gz DNLWUEUJKHPXPC-UHFFFAOYSA-N -1 1 372.406 2.054 20 0 FEADMM COc1cc(C)cc2c1OCC[C@@H]2NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000376597428 558195610 /nfs/dbraw/zinc/19/56/10/558195610.db2.gz JSLRFZBMBKHXRR-HSMAQGNYSA-N -1 1 367.409 2.304 20 0 FEADMM COCc1nc([C@@H]2COCCN2C(=O)c2ccc3ccccc3c2[O-])no1 ZINC000376613426 558197736 /nfs/dbraw/zinc/19/77/36/558197736.db2.gz ZOHATUHYJIAFDL-HNNXBMFYSA-N -1 1 369.377 2.289 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCCN(c4ccc(F)cc4)CC3)ccnc1-2 ZINC000376618305 558198477 /nfs/dbraw/zinc/19/84/77/558198477.db2.gz MSDUOOWELCXDFS-QJOMJCCJSA-N -1 1 368.416 2.225 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(O)CC3)c2)cc1 ZINC000522253878 562195299 /nfs/dbraw/zinc/19/52/99/562195299.db2.gz QAZBDIWOHFLKDA-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CSc1ccc(NC(=O)[C@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000377529086 558358688 /nfs/dbraw/zinc/35/86/88/558358688.db2.gz YUUJBDZRQVKUPT-NSHDSACASA-N -1 1 361.471 2.439 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000377886040 558441748 /nfs/dbraw/zinc/44/17/48/558441748.db2.gz XUISQPOHEGXNGZ-UHFFFAOYSA-N -1 1 364.402 2.323 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000523243650 562210156 /nfs/dbraw/zinc/21/01/56/562210156.db2.gz ZXTAKGVPOKUGOO-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000523534031 562214876 /nfs/dbraw/zinc/21/48/76/562214876.db2.gz JLOPHHPCGCNQCC-UHFFFAOYSA-N -1 1 365.407 2.429 20 0 FEADMM Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)n1 ZINC000378585782 558589188 /nfs/dbraw/zinc/58/91/88/558589188.db2.gz DJYXTEAXFTZXCC-CQSZACIVSA-N -1 1 368.441 2.182 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000523821109 562220406 /nfs/dbraw/zinc/22/04/06/562220406.db2.gz QDVMTMGJBKHDFG-UHFFFAOYSA-N -1 1 355.437 2.041 20 0 FEADMM O=C(c1csc([C@H]2CCCO2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408000323 558636878 /nfs/dbraw/zinc/63/68/78/558636878.db2.gz ZQRDADFKLSTBQF-GXSJLCMTSA-N -1 1 350.400 2.103 20 0 FEADMM COc1cc2nc(NC(=O)c3cc(NC(C)=O)ccc3[O-])[nH]c2cc1OC ZINC000524292555 562226690 /nfs/dbraw/zinc/22/66/90/562226690.db2.gz XPEHDCWUDANYLU-UHFFFAOYSA-N -1 1 370.365 2.496 20 0 FEADMM CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@H]2C1 ZINC000408460295 558679664 /nfs/dbraw/zinc/67/96/64/558679664.db2.gz NDGDBZRFCYXLPK-PWSUYJOCSA-N -1 1 364.389 2.126 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000410282850 558749825 /nfs/dbraw/zinc/74/98/25/558749825.db2.gz POYXEEFWLBMJBB-GFCCVEGCSA-N -1 1 358.442 2.781 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cccc(OCc2cccs2)c1 ZINC000410309208 558750629 /nfs/dbraw/zinc/75/06/29/558750629.db2.gz ROASJHPIMYFUNZ-UHFFFAOYSA-N -1 1 370.434 2.971 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(Br)ccc1Cl ZINC000410311078 558750719 /nfs/dbraw/zinc/75/07/19/558750719.db2.gz YXDLIFXXVIWPHM-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000410304340 558750800 /nfs/dbraw/zinc/75/08/00/558750800.db2.gz GLWNEJRBHFWSSM-UHFFFAOYSA-N -1 1 373.413 2.901 20 0 FEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000410364236 558753085 /nfs/dbraw/zinc/75/30/85/558753085.db2.gz LJJIEKBRGNTFIR-UHFFFAOYSA-N -1 1 367.770 2.087 20 0 FEADMM COc1cc(NC(=O)NCCOC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000524901362 562237279 /nfs/dbraw/zinc/23/72/79/562237279.db2.gz XYXSQCDYNYIDHJ-UHFFFAOYSA-N -1 1 359.448 2.003 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c1C ZINC000525019052 562239596 /nfs/dbraw/zinc/23/95/96/562239596.db2.gz JHVMYDKJEDSIKB-UHFFFAOYSA-N -1 1 354.407 2.418 20 0 FEADMM COC(=O)CN1CCC[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000412376222 559031981 /nfs/dbraw/zinc/03/19/81/559031981.db2.gz WZHIVBGCOOHFJU-AWEZNQCLSA-N -1 1 356.422 2.160 20 0 FEADMM O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000412430322 559035004 /nfs/dbraw/zinc/03/50/04/559035004.db2.gz UWWJGXZRHQJBKP-FGTMMUONSA-N -1 1 368.433 2.180 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccnc(C)c2Br)c1C ZINC000526120298 562267573 /nfs/dbraw/zinc/26/75/73/562267573.db2.gz UGRGWTCBZRDAHT-UHFFFAOYSA-N -1 1 373.276 2.208 20 0 FEADMM CCOc1cc(C(=O)N2CCSC[C@H](C(=O)OC)C2)cc(Cl)c1[O-] ZINC000414040925 559148347 /nfs/dbraw/zinc/14/83/47/559148347.db2.gz MHTYEUIOGNVGGH-LLVKDONJSA-N -1 1 373.858 2.423 20 0 FEADMM CN(C)Cc1nc(C(C)(C)[N-]S(=O)(=O)c2sccc2Cl)no1 ZINC000414449779 559164589 /nfs/dbraw/zinc/16/45/89/559164589.db2.gz DCGODDPVLNLPHX-UHFFFAOYSA-N -1 1 364.880 2.060 20 0 FEADMM COc1ccc(CN[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1Cl ZINC000414651027 559177078 /nfs/dbraw/zinc/17/70/78/559177078.db2.gz GBNVQDHJRFVMIA-ZFWWWQNUSA-N -1 1 354.834 2.148 20 0 FEADMM COc1ccc2oc(CN[C@@H]3CCN([C@@H](C(=O)[O-])C(C)C)C3=O)cc2c1 ZINC000414650347 559177158 /nfs/dbraw/zinc/17/71/58/559177158.db2.gz FJPWWIROWDYYCB-NVXWUHKLSA-N -1 1 360.410 2.241 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NCc2ccc(F)c(F)c2)C1=O ZINC000414655551 559177708 /nfs/dbraw/zinc/17/77/08/559177708.db2.gz JTMWLMHAGJLLTB-IRXDYDNUSA-N -1 1 360.360 2.481 20 0 FEADMM COCCOc1cc2c(cc1CNCc1ccc(C(=O)[O-])cc1)OCO2 ZINC000414682513 559179319 /nfs/dbraw/zinc/17/93/19/559179319.db2.gz NZZOBEOPZWGVHG-UHFFFAOYSA-N -1 1 359.378 2.429 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)n1 ZINC000415645747 559257709 /nfs/dbraw/zinc/25/77/09/559257709.db2.gz IUWRDSATKWUDOW-GFCCVEGCSA-N -1 1 357.414 2.470 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000416188498 559297096 /nfs/dbraw/zinc/29/70/96/559297096.db2.gz ITFCGRVDXHQQIQ-JTQLQIEISA-N -1 1 371.315 2.190 20 0 FEADMM CC[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)Oc1cccc(Cl)c1 ZINC000416186848 559297150 /nfs/dbraw/zinc/29/71/50/559297150.db2.gz CJOKAALQGVKBEC-JTQLQIEISA-N -1 1 367.789 2.137 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000416206327 559298393 /nfs/dbraw/zinc/29/83/93/559298393.db2.gz UHKRHNSRXXLTGS-UHFFFAOYSA-N -1 1 361.373 2.492 20 0 FEADMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)[C@@H]1O ZINC000416545602 559320812 /nfs/dbraw/zinc/32/08/12/559320812.db2.gz JVFUWBDYGXCOCQ-SCZZXKLOSA-N -1 1 359.391 2.193 20 0 FEADMM CC(C)(CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)S(C)(=O)=O ZINC000416589447 559323608 /nfs/dbraw/zinc/32/36/08/559323608.db2.gz BFMPQXKKLHTKFJ-UHFFFAOYSA-N -1 1 363.432 2.064 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@H]1CCCOC1)c1c(Cl)cc(F)cc1Cl ZINC000416608926 559324951 /nfs/dbraw/zinc/32/49/51/559324951.db2.gz LENTYASDSCZGTN-UFBFGSQYSA-N -1 1 372.245 2.198 20 0 FEADMM CC(=O)[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1ccccc1F ZINC000416645774 559327251 /nfs/dbraw/zinc/32/72/51/559327251.db2.gz KLCBINGAVUVJGJ-INIZCTEOSA-N -1 1 353.419 2.287 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000416834027 559334312 /nfs/dbraw/zinc/33/43/12/559334312.db2.gz WDLYEBCFVBVZCZ-TUAOUCFPSA-N -1 1 371.459 2.002 20 0 FEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417602029 559369002 /nfs/dbraw/zinc/36/90/02/559369002.db2.gz TYEXMVMTKKJUEM-QGZVFWFLSA-N -1 1 357.389 2.277 20 0 FEADMM CCCC[C@H](NC(=O)[C@](C)(N)c1ccc(Br)cc1)C(=O)[O-] ZINC000417770151 559375753 /nfs/dbraw/zinc/37/57/53/559375753.db2.gz BNMASZOJYJHWLS-SWLSCSKDSA-N -1 1 357.248 2.383 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000420683517 559497710 /nfs/dbraw/zinc/49/77/10/559497710.db2.gz BPZAJSIFSVCTTK-UONOGXRCSA-N -1 1 351.509 2.333 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc2ccccc2c1)OC ZINC000420684522 559497843 /nfs/dbraw/zinc/49/78/43/559497843.db2.gz DBZDUTGDLFGYMD-DLBZAZTESA-N -1 1 365.451 2.398 20 0 FEADMM CC[C@H]1C[C@@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000421060994 559522258 /nfs/dbraw/zinc/52/22/58/559522258.db2.gz LLTCZNCAXCDZBZ-STQMWFEESA-N -1 1 371.459 2.146 20 0 FEADMM COC(=O)c1cccc2[nH]c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)nc21 ZINC000421226987 559532067 /nfs/dbraw/zinc/53/20/67/559532067.db2.gz BYHBXQJXFMVDLY-NSHDSACASA-N -1 1 369.443 2.152 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@]3(C)CC3(F)F)c2)n1 ZINC000421557653 559545293 /nfs/dbraw/zinc/54/52/93/559545293.db2.gz MVXXPLMKDKEQCE-INIZCTEOSA-N -1 1 364.352 2.310 20 0 FEADMM CC(C)(NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)c1nn[n-]n1 ZINC000421776896 559553111 /nfs/dbraw/zinc/55/31/11/559553111.db2.gz WGLIQXWIZNYODD-UHFFFAOYSA-N -1 1 369.404 2.068 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](CC)O1 ZINC000421963351 559558352 /nfs/dbraw/zinc/55/83/52/559558352.db2.gz WTUDPLBIQKAKFB-BETUJISGSA-N -1 1 372.487 2.386 20 0 FEADMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000422059910 559563332 /nfs/dbraw/zinc/56/33/32/559563332.db2.gz CQIUPLVZIPECFB-HNNXBMFYSA-N -1 1 353.422 2.312 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000422585478 559596419 /nfs/dbraw/zinc/59/64/19/559596419.db2.gz CXZNBSBPSVSEOF-LSDHHAIUSA-N -1 1 350.484 2.246 20 0 FEADMM CN(C)C(=O)c1cccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000424266567 559659997 /nfs/dbraw/zinc/65/99/97/559659997.db2.gz XBDQMUBQCNUGLS-INIZCTEOSA-N -1 1 361.442 2.046 20 0 FEADMM CC(C)C[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000424392489 559662823 /nfs/dbraw/zinc/66/28/23/559662823.db2.gz JTWGGMMYRCYRBS-GDBMZVCRSA-N -1 1 353.438 2.475 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NC1CCN(Cc2ccncc2)CC1)C(=O)[O-] ZINC000424393861 559662885 /nfs/dbraw/zinc/66/28/85/559662885.db2.gz MROIBSDCWFILFZ-INIZCTEOSA-N -1 1 362.474 2.092 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N2CCN(C)CC23CCCCC3)c1 ZINC000424694851 559673783 /nfs/dbraw/zinc/67/37/83/559673783.db2.gz LCAUIXKHWMOGIM-RUZDIDTESA-N -1 1 364.511 2.280 20 0 FEADMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CCOCC1CC1)c1ccccc1 ZINC000425170505 559689341 /nfs/dbraw/zinc/68/93/41/559689341.db2.gz SAVQEBFAHKRSLH-MRXNPFEDSA-N -1 1 369.483 2.415 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CC1)c1cccc(C)c1C ZINC000425177096 559689766 /nfs/dbraw/zinc/68/97/66/559689766.db2.gz ONZIKXJUMLDHQW-KRWDZBQOSA-N -1 1 369.483 2.254 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC2(C(=O)N(C)C)CCCC2)c(F)c1 ZINC000425216742 559691858 /nfs/dbraw/zinc/69/18/58/559691858.db2.gz MKTNPSYZSLGNHR-UHFFFAOYSA-N -1 1 360.426 2.200 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@H](CS(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425267022 559694222 /nfs/dbraw/zinc/69/42/22/559694222.db2.gz KJJKKDUPBYUEFD-HOTGVXAUSA-N -1 1 374.510 2.911 20 0 FEADMM CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1 ZINC000425305735 559695826 /nfs/dbraw/zinc/69/58/26/559695826.db2.gz RRYGAWIMKGJINQ-WHENESEISA-N -1 1 351.447 2.449 20 0 FEADMM O=C(CCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccc(Cl)cn1 ZINC000425317381 559696525 /nfs/dbraw/zinc/69/65/25/559696525.db2.gz FSQKSGIBZDBKIV-UHFFFAOYSA-N -1 1 364.789 2.193 20 0 FEADMM Cc1ccn(-c2ccc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cc2)n1 ZINC000425317516 559696528 /nfs/dbraw/zinc/69/65/28/559696528.db2.gz GCNPGBVESCBCFF-UHFFFAOYSA-N -1 1 353.382 2.289 20 0 FEADMM COc1cc(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)ccc1Cl ZINC000425325294 559696950 /nfs/dbraw/zinc/69/69/50/559696950.db2.gz RZRWZFMJPUSXNS-UHFFFAOYSA-N -1 1 351.790 2.386 20 0 FEADMM Cc1cnc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC000427084740 559747524 /nfs/dbraw/zinc/74/75/24/559747524.db2.gz ANOBXHQWVNQFKH-CYBMUJFWSA-N -1 1 361.398 2.389 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c([O-])c1 ZINC000427109546 559748091 /nfs/dbraw/zinc/74/80/91/559748091.db2.gz VVOPVPLWRWUGIR-UHFFFAOYSA-N -1 1 367.449 2.403 20 0 FEADMM CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ncccc1[O-] ZINC000427129842 559748682 /nfs/dbraw/zinc/74/86/82/559748682.db2.gz BHASUOVJEISARX-STQMWFEESA-N -1 1 351.472 2.243 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc4c3CN(C)C4)cc2oc1=O ZINC000427770204 559762007 /nfs/dbraw/zinc/76/20/07/559762007.db2.gz XHIYZMLTHITJDR-UHFFFAOYSA-N -1 1 373.434 2.361 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ncccc1[O-])c1ccc(OC(F)F)cc1 ZINC000428025511 559767672 /nfs/dbraw/zinc/76/76/72/559767672.db2.gz SKBSEXRJYIVMNG-GFCCVEGCSA-N -1 1 352.293 2.033 20 0 FEADMM CC(C)C[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)C(=O)[O-] ZINC000428043478 559768349 /nfs/dbraw/zinc/76/83/49/559768349.db2.gz GXTNEXNHAQZREO-INIZCTEOSA-N -1 1 350.484 2.465 20 0 FEADMM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CO)CC(F)F)s1 ZINC000428423828 559775294 /nfs/dbraw/zinc/77/52/94/559775294.db2.gz QENJZHYTTVGOST-LURJTMIESA-N -1 1 364.233 2.113 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)ccc1F ZINC000431174077 559835483 /nfs/dbraw/zinc/83/54/83/559835483.db2.gz YUBMRBPVPAVVDK-UHFFFAOYSA-N -1 1 357.338 2.265 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000432641493 559862325 /nfs/dbraw/zinc/86/23/25/559862325.db2.gz DSNOFNQQMHRPBO-UHFFFAOYSA-N -1 1 374.418 2.183 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N2CCCc3cc(OC)ccc32)n1 ZINC000432659797 559862651 /nfs/dbraw/zinc/86/26/51/559862651.db2.gz QUXRVPNWUVBHDS-UHFFFAOYSA-N -1 1 361.423 2.276 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N(CC(C)C)CC(F)(F)F)n1 ZINC000432674578 559862893 /nfs/dbraw/zinc/86/28/93/559862893.db2.gz BZMSAOPEOGOFLO-UHFFFAOYSA-N -1 1 353.366 2.335 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1 ZINC000433602039 559884924 /nfs/dbraw/zinc/88/49/24/559884924.db2.gz BQGPWCXCELIREQ-UHFFFAOYSA-N -1 1 362.407 2.188 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2ccccn21)c1ccc(F)c(F)c1F ZINC000433675978 559886179 /nfs/dbraw/zinc/88/61/79/559886179.db2.gz SBMFJTDNCAZIHJ-UHFFFAOYSA-N -1 1 370.356 2.058 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000435851204 559931215 /nfs/dbraw/zinc/93/12/15/559931215.db2.gz LUCYGDGDJBBOJO-UHFFFAOYSA-N -1 1 364.196 2.111 20 0 FEADMM NC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436480419 559942579 /nfs/dbraw/zinc/94/25/79/559942579.db2.gz WBLDZQPEDLVRSP-UHFFFAOYSA-N -1 1 360.313 2.311 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)c1 ZINC000436508561 559943755 /nfs/dbraw/zinc/94/37/55/559943755.db2.gz PZLJKBFOPIRNDD-JTQLQIEISA-N -1 1 369.377 2.208 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436547998 559944962 /nfs/dbraw/zinc/94/49/62/559944962.db2.gz UCYXQOVCPURIEM-CABZTGNLSA-N -1 1 372.874 2.484 20 0 FEADMM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436638226 559947368 /nfs/dbraw/zinc/94/73/68/559947368.db2.gz CJRZLAKIPFZDEL-UHFFFAOYSA-N -1 1 360.435 2.110 20 0 FEADMM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc(O)cc1[O-] ZINC000436638002 559947380 /nfs/dbraw/zinc/94/73/80/559947380.db2.gz YZSOIVGDDZIGBV-UHFFFAOYSA-N -1 1 355.350 2.328 20 0 FEADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@H]1CC(=O)N(C)C1=O ZINC000436655774 559948074 /nfs/dbraw/zinc/94/80/74/559948074.db2.gz NKFDOJIQUMFJOV-LBPRGKRZSA-N -1 1 368.817 2.054 20 0 FEADMM CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000436744468 559950872 /nfs/dbraw/zinc/95/08/72/559950872.db2.gz MNURWQGCCYIWAW-SHACYNPGSA-N -1 1 367.858 2.208 20 0 FEADMM O=C(Nc1ncccc1O)c1cc(I)ccc1[O-] ZINC000436762905 559951191 /nfs/dbraw/zinc/95/11/91/559951191.db2.gz DVOAWXIGMGQVPC-UHFFFAOYSA-N -1 1 356.119 2.350 20 0 FEADMM O=C(NC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000437003510 559959318 /nfs/dbraw/zinc/95/93/18/559959318.db2.gz JTUSMYTVHUUKTD-UHFFFAOYSA-N -1 1 370.380 2.135 20 0 FEADMM NC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)o1 ZINC000438079444 559973734 /nfs/dbraw/zinc/97/37/34/559973734.db2.gz VTXMUVXVZUSFKS-UHFFFAOYSA-N -1 1 365.271 2.435 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OCC ZINC000440093048 560004519 /nfs/dbraw/zinc/00/45/19/560004519.db2.gz RCPSUSACGZUYCJ-GFAPAMAISA-N -1 1 351.346 2.280 20 0 FEADMM COc1cc(NC(=O)N2CC[C@@H](OC)C[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000441666351 560037387 /nfs/dbraw/zinc/03/73/87/560037387.db2.gz GQLWGMUHACBZAD-DGCLKSJQSA-N -1 1 371.459 2.098 20 0 FEADMM COc1cc(NC(=O)N2CC[C@@H](OC)C[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000441666352 560037403 /nfs/dbraw/zinc/03/74/03/560037403.db2.gz GQLWGMUHACBZAD-WCQYABFASA-N -1 1 371.459 2.098 20 0 FEADMM O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1ccc(F)cc1[O-] ZINC000441812751 560039538 /nfs/dbraw/zinc/03/95/38/560039538.db2.gz JZDUYJHINJLPFS-UHFFFAOYSA-N -1 1 356.357 2.497 20 0 FEADMM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000442316898 560049135 /nfs/dbraw/zinc/04/91/35/560049135.db2.gz VENPNZIXINUKTO-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000442768790 560056988 /nfs/dbraw/zinc/05/69/88/560056988.db2.gz MFNODWYKJVJDJX-BPUTZDHNSA-N -1 1 369.483 2.036 20 0 FEADMM COC(=O)CCc1nnc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)s1 ZINC000442962462 560064290 /nfs/dbraw/zinc/06/42/90/560064290.db2.gz GXBHQUVCJNBLLE-UHFFFAOYSA-N -1 1 371.802 2.264 20 0 FEADMM COc1cc(C(=O)N(C)Cc2nc([C@H](C)OC)no2)cc(Cl)c1[O-] ZINC000443279758 560077642 /nfs/dbraw/zinc/07/76/42/560077642.db2.gz ZWXMPSSHTTUZHI-QMMMGPOBSA-N -1 1 355.778 2.417 20 0 FEADMM COc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000443325795 560079974 /nfs/dbraw/zinc/07/99/74/560079974.db2.gz YQGGBZNLRUGCBW-JSGCOSHPSA-N -1 1 373.858 2.236 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)c1 ZINC000443399260 560083086 /nfs/dbraw/zinc/08/30/86/560083086.db2.gz MANIHPJQYRKDRW-UHFFFAOYSA-N -1 1 361.423 2.416 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1F ZINC000443454438 560084497 /nfs/dbraw/zinc/08/44/97/560084497.db2.gz KYRCJRMJHANUAB-UHFFFAOYSA-N -1 1 361.402 2.379 20 0 FEADMM COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1C1CC1 ZINC000444341186 560110083 /nfs/dbraw/zinc/11/00/83/560110083.db2.gz KIKZLOVSCXENEO-UHFFFAOYSA-N -1 1 362.407 2.178 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccccc3OCC(N)=O)[nH][n-]2)c1 ZINC000444811735 560121659 /nfs/dbraw/zinc/12/16/59/560121659.db2.gz IJPKZYNOOZBRNA-UHFFFAOYSA-N -1 1 368.368 2.641 20 0 FEADMM O=c1n2ccccc2nn1CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443686 560132418 /nfs/dbraw/zinc/13/24/18/560132418.db2.gz DBZHDJUCYITJPP-UHFFFAOYSA-N -1 1 357.757 2.148 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445696715 560133882 /nfs/dbraw/zinc/13/38/82/560133882.db2.gz JRDKNWLLQSQRPR-SSDOTTSWSA-N -1 1 360.379 2.185 20 0 FEADMM CC(C)C(C)(C)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000445736850 560134490 /nfs/dbraw/zinc/13/44/90/560134490.db2.gz YJQNJYIGICITGT-UHFFFAOYSA-N -1 1 366.480 2.158 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000446620943 560148645 /nfs/dbraw/zinc/14/86/45/560148645.db2.gz UDPYUJADWCSWQN-UHFFFAOYSA-N -1 1 351.340 2.159 20 0 FEADMM Cn1c(=O)ccc2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cc21 ZINC000447277859 560159351 /nfs/dbraw/zinc/15/93/51/560159351.db2.gz KHCQOGJMWVDMBI-UHFFFAOYSA-N -1 1 364.404 2.099 20 0 FEADMM Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc21 ZINC000447274960 560159365 /nfs/dbraw/zinc/15/93/65/560159365.db2.gz QVTZALLHWKDZGR-UHFFFAOYSA-N -1 1 358.375 2.068 20 0 FEADMM O=C(CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)N1CCCCC1 ZINC000447491073 560163032 /nfs/dbraw/zinc/16/30/32/560163032.db2.gz JQWHJZDXZZGHFX-UHFFFAOYSA-N -1 1 351.403 2.002 20 0 FEADMM O=C(CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1)N1CCCCC1 ZINC000447491073 560163033 /nfs/dbraw/zinc/16/30/33/560163033.db2.gz JQWHJZDXZZGHFX-UHFFFAOYSA-N -1 1 351.403 2.002 20 0 FEADMM CC(C)N(C(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1)C1CCCC1 ZINC000447495300 560163341 /nfs/dbraw/zinc/16/33/41/560163341.db2.gz IKGPGWGYOFFZNN-UHFFFAOYSA-N -1 1 356.492 2.056 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CC[C@H](CC)O3)c2)n1 ZINC000447678116 560166857 /nfs/dbraw/zinc/16/68/57/560166857.db2.gz JDQTYKILSSYBLZ-LSDHHAIUSA-N -1 1 372.425 2.222 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cccc(O)c3)c2)n1 ZINC000447685669 560166880 /nfs/dbraw/zinc/16/68/80/560166880.db2.gz ASDYHBLUXRAUKX-UHFFFAOYSA-N -1 1 366.377 2.284 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CCCS3)c2)n1 ZINC000447683907 560166884 /nfs/dbraw/zinc/16/68/84/560166884.db2.gz VCAKZCCIMJADEH-ZDUSSCGKSA-N -1 1 360.439 2.160 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1COC)c1ccccc1 ZINC000447752783 560168466 /nfs/dbraw/zinc/16/84/66/560168466.db2.gz HTPJJDIYTNRREQ-QGZVFWFLSA-N -1 1 363.435 2.416 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000447755503 560168610 /nfs/dbraw/zinc/16/86/10/560168610.db2.gz DGPWKLUGIOVWDI-CQSZACIVSA-N -1 1 354.815 2.236 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccc(Cl)c(F)c1 ZINC000447758023 560168701 /nfs/dbraw/zinc/16/87/01/560168701.db2.gz KKQOMVWXKBWDQC-CQSZACIVSA-N -1 1 372.805 2.375 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)C(C)(C)COCC(F)F)c1Br ZINC000448317179 560183976 /nfs/dbraw/zinc/18/39/76/560183976.db2.gz FFAPTBVCPWOZLJ-UHFFFAOYSA-N -1 1 354.195 2.981 20 0 FEADMM CCCc1cc(C(=O)N=c2nc(-c3ccc(OC)cc3OC)[nH][n-]2)no1 ZINC000448844303 560202426 /nfs/dbraw/zinc/20/24/26/560202426.db2.gz AGCJUGHPEXKAOI-UHFFFAOYSA-N -1 1 357.370 2.682 20 0 FEADMM CCOC(=O)c1csc(=NC[C@H](C)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000450258271 560256128 /nfs/dbraw/zinc/25/61/28/560256128.db2.gz PLUMTTWIURVCRD-HNNXBMFYSA-N -1 1 374.510 2.942 20 0 FEADMM CC(=O)c1[n-]c(=N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)sc1C ZINC000450310241 560257956 /nfs/dbraw/zinc/25/79/56/560257956.db2.gz WQHTXDCBHMJJQV-JTQLQIEISA-N -1 1 367.496 3.078 20 0 FEADMM CC[C@H]1C[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC(=O)N1 ZINC000450692701 560270310 /nfs/dbraw/zinc/27/03/10/560270310.db2.gz COVUNSAABKAEHV-UWVGGRQHSA-N -1 1 363.805 2.074 20 0 FEADMM CC[C@H]1C[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC(=O)N1 ZINC000450692701 560270311 /nfs/dbraw/zinc/27/03/11/560270311.db2.gz COVUNSAABKAEHV-UWVGGRQHSA-N -1 1 363.805 2.074 20 0 FEADMM Cn1ncc2c1C[C@H](C(=O)Nc1n[nH]c(-c3ccc([O-])c(Cl)c3)n1)CC2 ZINC000450697259 560270406 /nfs/dbraw/zinc/27/04/06/560270406.db2.gz MUNIEAGKSDFAFA-SNVBAGLBSA-N -1 1 372.816 2.308 20 0 FEADMM Cn1ncc2c1C[C@H](C(=O)Nc1nc(-c3ccc([O-])c(Cl)c3)n[nH]1)CC2 ZINC000450697259 560270407 /nfs/dbraw/zinc/27/04/07/560270407.db2.gz MUNIEAGKSDFAFA-SNVBAGLBSA-N -1 1 372.816 2.308 20 0 FEADMM O=C(C[C@H]1CCCCC(=O)N1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700294 560270639 /nfs/dbraw/zinc/27/06/39/560270639.db2.gz SOOAHZMHXJIVFY-SNVBAGLBSA-N -1 1 363.805 2.218 20 0 FEADMM O=C(C[C@H]1CCCCC(=O)N1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700294 560270640 /nfs/dbraw/zinc/27/06/40/560270640.db2.gz SOOAHZMHXJIVFY-SNVBAGLBSA-N 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ZINC000451843946 560331988 /nfs/dbraw/zinc/33/19/88/560331988.db2.gz SGIJDEXJPKVFBW-ZDUSSCGKSA-N -1 1 353.362 2.358 20 0 FEADMM CCN1C[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1=O ZINC000451865295 560333397 /nfs/dbraw/zinc/33/33/97/560333397.db2.gz IKWMHZSWPSGKBM-VIFPVBQESA-N -1 1 358.872 2.454 20 0 FEADMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000452061728 560348910 /nfs/dbraw/zinc/34/89/10/560348910.db2.gz WAWYRILBQBDCSP-BDAKNGLRSA-N -1 1 358.872 2.487 20 0 FEADMM CC/C=C\CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452620401 560369276 /nfs/dbraw/zinc/36/92/76/560369276.db2.gz YZKZBBCPAPMSHA-ARJAWSKDSA-N -1 1 351.255 2.354 20 0 FEADMM COc1ccc(-c2nnc(S(=O)(=O)CCC(C)(F)F)[n-]2)c(OC)c1 ZINC000453030431 560381686 /nfs/dbraw/zinc/38/16/86/560381686.db2.gz QVGQJXSVZOCNOA-UHFFFAOYSA-N -1 1 361.370 2.308 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CCC(C)(F)F)n[n-]2)c(OC)c1 ZINC000453030431 560381687 /nfs/dbraw/zinc/38/16/87/560381687.db2.gz QVGQJXSVZOCNOA-UHFFFAOYSA-N -1 1 361.370 2.308 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccc(OC)cc2)co1 ZINC000456184990 560510138 /nfs/dbraw/zinc/51/01/38/560510138.db2.gz XAWGCCDMEMJZSJ-UHFFFAOYSA-N -1 1 364.423 2.253 20 0 FEADMM CN(C)C(=O)C[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1 ZINC000456226918 560512370 /nfs/dbraw/zinc/51/23/70/560512370.db2.gz HMNPKTHRCWZQTA-CQSZACIVSA-N -1 1 358.467 2.667 20 0 FEADMM CCn1ccnc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000456405447 560519457 /nfs/dbraw/zinc/51/94/57/560519457.db2.gz XPTCMZOILGOTRZ-NSHDSACASA-N -1 1 368.459 2.064 20 0 FEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456628268 560526338 /nfs/dbraw/zinc/52/63/38/560526338.db2.gz KKANMBVHSBFQEC-QWHCGFSZSA-N -1 1 352.390 2.057 20 0 FEADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc([O-])c(F)c1F)C2=O ZINC000456795178 560533027 /nfs/dbraw/zinc/53/30/27/560533027.db2.gz UENBNKVKNNIWLD-XLFHBGCDSA-N -1 1 367.352 2.110 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1ccc([O-])c(F)c1F ZINC000456792222 560533079 /nfs/dbraw/zinc/53/30/79/560533079.db2.gz HUBJIHUTPOMWMY-VPJDZLOFSA-N -1 1 371.409 2.335 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1ccc([O-])c(F)c1F ZINC000456792219 560533083 /nfs/dbraw/zinc/53/30/83/560533083.db2.gz HUBJIHUTPOMWMY-CCUNJIBTSA-N -1 1 371.409 2.335 20 0 FEADMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc([O-])c(F)c1F ZINC000456793459 560533101 /nfs/dbraw/zinc/53/31/01/560533101.db2.gz MCRKAOZVKSTUPF-UWVGGRQHSA-N -1 1 352.337 2.174 20 0 FEADMM Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000457245657 560557980 /nfs/dbraw/zinc/55/79/80/560557980.db2.gz VQOYPQVNQKRJJA-LBPRGKRZSA-N -1 1 371.441 2.249 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(CCn3ccc4ccccc43)no2)co1 ZINC000460154454 560736646 /nfs/dbraw/zinc/73/66/46/560736646.db2.gz CQFLIULUKBLRAZ-UHFFFAOYSA-N -1 1 372.406 2.435 20 0 FEADMM Cc1ccc(NS(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000460456129 560743900 /nfs/dbraw/zinc/74/39/00/560743900.db2.gz REJNBFUERWLSMD-UHFFFAOYSA-N -1 1 369.468 2.014 20 0 FEADMM CCn1nc(C)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1C ZINC000460822126 560752679 /nfs/dbraw/zinc/75/26/79/560752679.db2.gz DIKSNLMFYCZVQV-UHFFFAOYSA-N -1 1 367.427 2.092 20 0 FEADMM CCOCc1cccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000460836196 560753165 /nfs/dbraw/zinc/75/31/65/560753165.db2.gz AEVYSXQMAMYDHD-UHFFFAOYSA-N -1 1 373.438 2.214 20 0 FEADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2cccn(C)c2=O)s1 ZINC000460834751 560753168 /nfs/dbraw/zinc/75/31/68/560753168.db2.gz YQPSLQGDESQQGQ-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000461461767 560772584 /nfs/dbraw/zinc/77/25/84/560772584.db2.gz BCUQSRVPKIOEOW-UHFFFAOYSA-N -1 1 373.390 2.208 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2c(C)cc3ccccc32)c1 ZINC000461463627 560772678 /nfs/dbraw/zinc/77/26/78/560772678.db2.gz GQIDAAULCRCPAA-UHFFFAOYSA-N -1 1 373.434 2.202 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000461463256 560772831 /nfs/dbraw/zinc/77/28/31/560772831.db2.gz LKKPDEWMKBJPBT-UHFFFAOYSA-N -1 1 371.418 2.343 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2SC)c1 ZINC000461466132 560772972 /nfs/dbraw/zinc/77/29/72/560772972.db2.gz XUMDENXFCYKOFU-UHFFFAOYSA-N -1 1 366.464 2.203 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2nccc3ccccc32)c1 ZINC000461466737 560773109 /nfs/dbraw/zinc/77/31/09/560773109.db2.gz VDJGCBRJVOBYCH-UHFFFAOYSA-N -1 1 357.391 2.101 20 0 FEADMM CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461583263 560775780 /nfs/dbraw/zinc/77/57/80/560775780.db2.gz KTJFMXWXFTZXNO-CWTRNNRKSA-N -1 1 358.442 2.008 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)o1 ZINC000462295207 560804702 /nfs/dbraw/zinc/80/47/02/560804702.db2.gz YCCOFENMXHJERR-SNVBAGLBSA-N -1 1 373.333 2.147 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)cn1C ZINC000467329273 560908799 /nfs/dbraw/zinc/90/87/99/560908799.db2.gz IKQPLRASRKDCMY-UHFFFAOYSA-N -1 1 352.412 2.320 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)s[n-]1 ZINC000467872364 560919192 /nfs/dbraw/zinc/91/91/92/560919192.db2.gz SQUBLUQTWMUNIX-UHFFFAOYSA-N -1 1 371.422 2.468 20 0 FEADMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[nH]n1 ZINC000468756634 560937904 /nfs/dbraw/zinc/93/79/04/560937904.db2.gz AJOMGWSMUKSWCG-UHFFFAOYSA-N -1 1 362.455 2.085 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1sccc1C)c1ccc2c(c1)CCO2 ZINC000468843309 560940250 /nfs/dbraw/zinc/94/02/50/560940250.db2.gz GKRRRBSRANDPNX-CQSZACIVSA-N -1 1 367.448 2.184 20 0 FEADMM CCOc1c(Cl)cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)cc1Cl ZINC000469139496 560948068 /nfs/dbraw/zinc/94/80/68/560948068.db2.gz XBLKUVPHXFORJB-UHFFFAOYSA-N -1 1 368.180 2.375 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)o1 ZINC000469992223 560970955 /nfs/dbraw/zinc/97/09/55/560970955.db2.gz LQLHVKMOMIJXQV-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM CCCOc1c(Cl)cc(C(=O)NC2(c3nn[n-]n3)CC2)cc1OCC ZINC000470985591 560996024 /nfs/dbraw/zinc/99/60/24/560996024.db2.gz NERLIZCAGKVYTN-UHFFFAOYSA-N -1 1 365.821 2.460 20 0 FEADMM COc1ncc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000471411100 561004284 /nfs/dbraw/zinc/00/42/84/561004284.db2.gz HYFOLPGONBGIIT-UHFFFAOYSA-N -1 1 367.427 2.321 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)[nH]n1 ZINC000471518591 561006373 /nfs/dbraw/zinc/00/63/73/561006373.db2.gz AQTYSRSVNIZRFR-UHFFFAOYSA-N -1 1 367.427 2.348 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)ccc1F ZINC000471619344 561008967 /nfs/dbraw/zinc/00/89/67/561008967.db2.gz OXQIPMKIARWHMY-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1cccn1C ZINC000472978446 561039303 /nfs/dbraw/zinc/03/93/03/561039303.db2.gz NIYAFMWLDCXWKJ-UHFFFAOYSA-N -1 1 351.410 2.092 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000473208114 561044421 /nfs/dbraw/zinc/04/44/21/561044421.db2.gz LHOWUBPZDCGMNQ-LLVKDONJSA-N -1 1 361.423 2.151 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cnc2onc(C)c2c1)c1ccc(C)o1 ZINC000474170431 561067339 /nfs/dbraw/zinc/06/73/39/561067339.db2.gz MUGCDRXBTYKCBF-ZDUSSCGKSA-N -1 1 351.384 2.099 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c(Cl)c1 ZINC000474405488 561073364 /nfs/dbraw/zinc/07/33/64/561073364.db2.gz CAVVZECEVUYLCO-UHFFFAOYSA-N -1 1 366.786 2.199 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cc1C(N)=O ZINC000474420875 561073610 /nfs/dbraw/zinc/07/36/10/561073610.db2.gz IOMPYZIGUUPXSH-UHFFFAOYSA-N -1 1 350.444 2.206 20 0 FEADMM CC(C)(NC(=O)COc1ccccc1OCc1ccccc1)c1nn[n-]n1 ZINC000475019673 561087861 /nfs/dbraw/zinc/08/78/61/561087861.db2.gz VPOFNWTXKXUDLI-UHFFFAOYSA-N -1 1 367.409 2.209 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000475059419 561089158 /nfs/dbraw/zinc/08/91/58/561089158.db2.gz ASFUCAXOXXUBQL-CQSZACIVSA-N -1 1 372.812 2.498 20 0 FEADMM COc1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000476054952 561110378 /nfs/dbraw/zinc/11/03/78/561110378.db2.gz YTQUQIHPCWCPAL-AWEZNQCLSA-N -1 1 374.418 2.375 20 0 FEADMM Cc1nc2ccc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)cc2n1C ZINC000476059784 561110546 /nfs/dbraw/zinc/11/05/46/561110546.db2.gz INGMKTWFQKYYHP-UHFFFAOYSA-N -1 1 364.409 2.177 20 0 FEADMM O=C(NC[C@H]1CCCC1=O)c1ccc(I)c([O-])c1 ZINC000476916831 561131997 /nfs/dbraw/zinc/13/19/97/561131997.db2.gz SSTNTXNXYIWIHS-SECBINFHSA-N -1 1 359.163 2.096 20 0 FEADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000477163371 561138221 /nfs/dbraw/zinc/13/82/21/561138221.db2.gz PZPXKRZAAZDUPL-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1F ZINC000477185445 561138711 /nfs/dbraw/zinc/13/87/11/561138711.db2.gz IWFJJMVMUSSROX-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1CS(C)(=O)=O ZINC000477187811 561138936 /nfs/dbraw/zinc/13/89/36/561138936.db2.gz NASUCTHMKYRUDE-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000529988789 562393650 /nfs/dbraw/zinc/39/36/50/562393650.db2.gz VSMFPDXCHWJYKJ-KTMFAHBVSA-N -1 1 370.453 2.413 20 0 FEADMM CCOc1cccc(CCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000530261868 562404478 /nfs/dbraw/zinc/40/44/78/562404478.db2.gz HECXJSVXDPYMMW-GOSISDBHSA-N -1 1 351.410 2.437 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC(=O)N(C)c3ccccc32)c(=O)[n-]1 ZINC000530655105 562419310 /nfs/dbraw/zinc/41/93/10/562419310.db2.gz FRHJQRBVFVRIDA-UHFFFAOYSA-N -1 1 372.450 2.155 20 0 FEADMM CCS(=O)(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000531629986 562452300 /nfs/dbraw/zinc/45/23/00/562452300.db2.gz IDCDBQDHZVJGDO-UHFFFAOYSA-N -1 1 372.443 2.066 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000531752357 562455488 /nfs/dbraw/zinc/45/54/88/562455488.db2.gz MWLXSULPFREWOY-UHFFFAOYSA-N -1 1 364.423 2.254 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@H]1N1CCOCC1)c1cc2ccccc2o1 ZINC000532421171 562477294 /nfs/dbraw/zinc/47/72/94/562477294.db2.gz ZGLUDVWMQKYXHQ-JKSUJKDBSA-N -1 1 364.467 2.355 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)o2)sc1C ZINC000532932537 562492818 /nfs/dbraw/zinc/49/28/18/562492818.db2.gz YRENNAYVTFJWLG-UHFFFAOYSA-N -1 1 364.452 2.331 20 0 FEADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000534389585 562533094 /nfs/dbraw/zinc/53/30/94/562533094.db2.gz GIVUGRUPZBZDTD-SSINHNECSA-N -1 1 355.419 2.152 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2Cl)co1 ZINC000535137979 562551681 /nfs/dbraw/zinc/55/16/81/562551681.db2.gz OHHWXCAZAGXLCM-UHFFFAOYSA-N -1 1 363.222 2.425 20 0 FEADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000535139647 562551803 /nfs/dbraw/zinc/55/18/03/562551803.db2.gz ZQHOZKTYJWPWGH-UHFFFAOYSA-N -1 1 367.354 2.364 20 0 FEADMM CN1C(=O)C[C@H](NC(=O)c2cncc([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535880142 562570157 /nfs/dbraw/zinc/57/01/57/562570157.db2.gz KLZXEVAYSHJELD-GOEBONIOSA-N -1 1 363.776 2.282 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1C ZINC000536496099 562576914 /nfs/dbraw/zinc/57/69/14/562576914.db2.gz DXZPLGRWDYRUIA-UHFFFAOYSA-N -1 1 370.402 2.240 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCO[C@H]2C2CC2)o1 ZINC000541415672 562611583 /nfs/dbraw/zinc/61/15/83/562611583.db2.gz NEHBUOHEWPJWOQ-WMLDXEAASA-N -1 1 370.471 2.044 20 0 FEADMM C[C@H](NCc1nc(=O)n(C)[n-]1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000541583209 562615907 /nfs/dbraw/zinc/61/59/07/562615907.db2.gz ZXDVGRMYGVHNBW-ZDUSSCGKSA-N -1 1 351.410 2.212 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000541892943 562622422 /nfs/dbraw/zinc/62/24/22/562622422.db2.gz BXXVVKYJJFKBOU-CZUORRHYSA-N -1 1 370.453 2.417 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CCO[C@@H](C)C2)no1 ZINC000545805826 562630537 /nfs/dbraw/zinc/63/05/37/562630537.db2.gz PHXVTPVDAUNTHO-SMDDNHRTSA-N -1 1 367.409 2.397 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(COc3ccc(Cl)cc3)no2)o1 ZINC000546404819 562636869 /nfs/dbraw/zinc/63/68/69/562636869.db2.gz UDXHOMNKPZAIFG-UHFFFAOYSA-N -1 1 369.786 2.470 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1CCCCC1=O ZINC000556294899 674395391 /nfs/dbraw/zinc/39/53/91/674395391.db2.gz ZNPWKDZSGGSEGU-LLVKDONJSA-N -1 1 354.403 2.251 20 0 FEADMM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1F ZINC000556335048 674397494 /nfs/dbraw/zinc/39/74/94/674397494.db2.gz BNMRXRJPJOISHS-LBPRGKRZSA-N -1 1 351.827 2.343 20 0 FEADMM Cn1ccc2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cc2c1=O ZINC000556352144 674398330 /nfs/dbraw/zinc/39/83/30/674398330.db2.gz LSSUKAGUCIBSMW-UHFFFAOYSA-N -1 1 364.404 2.099 20 0 FEADMM COc1ccc(NC(=O)N2CCC(SC)CC2)cc1[N-]S(C)(=O)=O ZINC000602870659 568009056 /nfs/dbraw/zinc/00/90/56/568009056.db2.gz OGCJVZUXEJYGCD-UHFFFAOYSA-N -1 1 373.500 2.426 20 0 FEADMM COCc1csc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000618529453 568345725 /nfs/dbraw/zinc/34/57/25/568345725.db2.gz BWBCBKCMILMGPF-UHFFFAOYSA-N -1 1 360.439 2.119 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000737200510 598838904 /nfs/dbraw/zinc/83/89/04/598838904.db2.gz NFKAAFMWMJEVJC-YABSGUDNSA-N -1 1 372.473 2.458 20 0 FEADMM CCCN(CC(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736470391 598874169 /nfs/dbraw/zinc/87/41/69/598874169.db2.gz OYAFBDCIWYNMKK-UHFFFAOYSA-N -1 1 365.793 2.186 20 0 FEADMM CCCN(CC(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736470391 598874170 /nfs/dbraw/zinc/87/41/70/598874170.db2.gz OYAFBDCIWYNMKK-UHFFFAOYSA-N -1 1 365.793 2.186 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1C1CC1 ZINC000738355235 598874778 /nfs/dbraw/zinc/87/47/78/598874778.db2.gz OTVVTFPUNHJRAW-NSHDSACASA-N -1 1 353.835 2.083 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1C1CC1 ZINC000738355235 598874779 /nfs/dbraw/zinc/87/47/79/598874779.db2.gz OTVVTFPUNHJRAW-NSHDSACASA-N -1 1 353.835 2.083 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc2c(c1)OCCO2 ZINC000738437572 598935693 /nfs/dbraw/zinc/93/56/93/598935693.db2.gz QGXYDHBODHCXMN-UHFFFAOYSA-N -1 1 361.365 2.193 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccc2c(c1)OCCO2 ZINC000738437572 598935694 /nfs/dbraw/zinc/93/56/94/598935694.db2.gz QGXYDHBODHCXMN-UHFFFAOYSA-N -1 1 361.365 2.193 20 0 FEADMM O[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000738383058 598976041 /nfs/dbraw/zinc/97/60/41/598976041.db2.gz NLWCPPPQZUNUAM-SNVBAGLBSA-N -1 1 352.732 2.339 20 0 FEADMM O[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000738383058 598976043 /nfs/dbraw/zinc/97/60/43/598976043.db2.gz NLWCPPPQZUNUAM-SNVBAGLBSA-N -1 1 352.732 2.339 20 0 FEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736222128 598984926 /nfs/dbraw/zinc/98/49/26/598984926.db2.gz ASZXAGQLGBEJCB-MRVPVSSYSA-N -1 1 353.313 2.310 20 0 FEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736222128 598984928 /nfs/dbraw/zinc/98/49/28/598984928.db2.gz ASZXAGQLGBEJCB-MRVPVSSYSA-N -1 1 353.313 2.310 20 0 FEADMM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145608 598985708 /nfs/dbraw/zinc/98/57/08/598985708.db2.gz URLFFSUKIFXSNT-UHFFFAOYSA-N -1 1 372.772 2.329 20 0 FEADMM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145608 598985709 /nfs/dbraw/zinc/98/57/09/598985709.db2.gz URLFFSUKIFXSNT-UHFFFAOYSA-N -1 1 372.772 2.329 20 0 FEADMM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738150372 599001952 /nfs/dbraw/zinc/00/19/52/599001952.db2.gz JQFIYLVCFYMWQW-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738150372 599001954 /nfs/dbraw/zinc/00/19/54/599001954.db2.gz JQFIYLVCFYMWQW-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737130880 599020941 /nfs/dbraw/zinc/02/09/41/599020941.db2.gz TXVJSVQSUMSGTJ-MRXNPFEDSA-N -1 1 350.382 2.248 20 0 FEADMM COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737130880 599020942 /nfs/dbraw/zinc/02/09/42/599020942.db2.gz TXVJSVQSUMSGTJ-MRXNPFEDSA-N -1 1 350.382 2.248 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCOC2(CCCCC2)C1 ZINC000823797801 599056704 /nfs/dbraw/zinc/05/67/04/599056704.db2.gz SCKXGQAYSNXUKP-UHFFFAOYSA-N -1 1 351.414 2.349 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCOC2(CCCCC2)C1 ZINC000823797801 599056707 /nfs/dbraw/zinc/05/67/07/599056707.db2.gz SCKXGQAYSNXUKP-UHFFFAOYSA-N -1 1 351.414 2.349 20 0 FEADMM Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737198032 599131816 /nfs/dbraw/zinc/13/18/16/599131816.db2.gz DNNVBSKXTZFYGY-UHFFFAOYSA-N -1 1 362.349 2.091 20 0 FEADMM Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737198032 599131818 /nfs/dbraw/zinc/13/18/18/599131818.db2.gz DNNVBSKXTZFYGY-UHFFFAOYSA-N -1 1 362.349 2.091 20 0 FEADMM O=C(OCc1cc(F)cc2cccnc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738237226 599138163 /nfs/dbraw/zinc/13/81/63/599138163.db2.gz ZISWPSQALISNLF-UHFFFAOYSA-N -1 1 350.313 2.306 20 0 FEADMM O=C(OCc1cc(F)cc2cccnc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738237226 599138165 /nfs/dbraw/zinc/13/81/65/599138165.db2.gz ZISWPSQALISNLF-UHFFFAOYSA-N -1 1 350.313 2.306 20 0 FEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nc(CC(F)(F)F)no2)n1 ZINC000737470247 599161949 /nfs/dbraw/zinc/16/19/49/599161949.db2.gz GEACBTRJQLXLFQ-UHFFFAOYSA-N -1 1 372.336 2.054 20 0 FEADMM Cc1nn(Cc2cc(Cl)ccc2Cl)c(=O)c(-c2nn[n-]n2)c1C ZINC000737523730 599162248 /nfs/dbraw/zinc/16/22/48/599162248.db2.gz RXFXXBKRSJNDSA-UHFFFAOYSA-N -1 1 351.197 2.395 20 0 FEADMM CC(C)OC(=O)NCc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000735894079 599205329 /nfs/dbraw/zinc/20/53/29/599205329.db2.gz CPWYKALABKCGCN-UHFFFAOYSA-N -1 1 354.374 2.035 20 0 FEADMM CC(C)OC(=O)NCc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000735894079 599205331 /nfs/dbraw/zinc/20/53/31/599205331.db2.gz CPWYKALABKCGCN-UHFFFAOYSA-N -1 1 354.374 2.035 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000818482145 597050932 /nfs/dbraw/zinc/05/09/32/597050932.db2.gz HTURGSDLMOXFQI-OAHLLOKOSA-N -1 1 360.458 2.157 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCCC(=O)[O-])CC1 ZINC000263460148 597309030 /nfs/dbraw/zinc/30/90/30/597309030.db2.gz DHYSLESIXOSOCT-UHFFFAOYSA-N -1 1 368.865 2.468 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)C(=O)[O-] ZINC000820443674 597394947 /nfs/dbraw/zinc/39/49/47/597394947.db2.gz OUKPMLUJRBFKSW-GUYCJALGSA-N -1 1 362.474 2.368 20 0 FEADMM O=C([O-])[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000819253187 597506834 /nfs/dbraw/zinc/50/68/34/597506834.db2.gz NTABBHGNFAZTSZ-AWEZNQCLSA-N -1 1 365.861 2.421 20 0 FEADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000821478674 597511443 /nfs/dbraw/zinc/51/14/43/597511443.db2.gz BCFAQLSTLIWJBP-MRXNPFEDSA-N -1 1 351.366 2.085 20 0 FEADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000819151705 597534731 /nfs/dbraw/zinc/53/47/31/597534731.db2.gz PTFVKZSBSAHOMZ-ZDUSSCGKSA-N -1 1 360.410 2.463 20 0 FEADMM CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735652241 598258819 /nfs/dbraw/zinc/25/88/19/598258819.db2.gz DVUMDVXTWQAZRA-UHFFFAOYSA-N -1 1 359.411 2.327 20 0 FEADMM CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735652241 598258820 /nfs/dbraw/zinc/25/88/20/598258820.db2.gz DVUMDVXTWQAZRA-UHFFFAOYSA-N -1 1 359.411 2.327 20 0 FEADMM CC(C)(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597386 598263029 /nfs/dbraw/zinc/26/30/29/598263029.db2.gz OAFLGDQAEXCCDA-CHWSQXEVSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597386 598263031 /nfs/dbraw/zinc/26/30/31/598263031.db2.gz OAFLGDQAEXCCDA-CHWSQXEVSA-N -1 1 364.475 2.145 20 0 FEADMM O=C(c1cc(F)ccc1F)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738247425 598344787 /nfs/dbraw/zinc/34/47/87/598344787.db2.gz PQBRYICJMPVHKY-UHFFFAOYSA-N -1 1 371.351 2.034 20 0 FEADMM O=C(c1cc(F)ccc1F)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738247425 598344788 /nfs/dbraw/zinc/34/47/88/598344788.db2.gz PQBRYICJMPVHKY-UHFFFAOYSA-N -1 1 371.351 2.034 20 0 FEADMM CC[C@H](C)C(=O)Nc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000736320646 598345903 /nfs/dbraw/zinc/34/59/03/598345903.db2.gz VOXAPDZQCSAQTD-NSHDSACASA-N -1 1 352.402 2.253 20 0 FEADMM CC[C@H](C)C(=O)Nc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000736320646 598345904 /nfs/dbraw/zinc/34/59/04/598345904.db2.gz VOXAPDZQCSAQTD-NSHDSACASA-N -1 1 352.402 2.253 20 0 FEADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138268 598350986 /nfs/dbraw/zinc/35/09/86/598350986.db2.gz QEHMJWKXXIYJSC-NEPJUHHUSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138268 598350988 /nfs/dbraw/zinc/35/09/88/598350988.db2.gz QEHMJWKXXIYJSC-NEPJUHHUSA-N -1 1 374.449 2.104 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1Cc2ccccc2C1 ZINC000737198532 598359555 /nfs/dbraw/zinc/35/95/55/598359555.db2.gz AOTPSJSJYBVUIB-UHFFFAOYSA-N -1 1 364.409 2.059 20 0 FEADMM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000737317060 598404752 /nfs/dbraw/zinc/40/47/52/598404752.db2.gz JPQIFDRTSSSSLM-LLVKDONJSA-N -1 1 355.402 2.185 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000737775832 598430548 /nfs/dbraw/zinc/43/05/48/598430548.db2.gz FLTZSBAXYHROCY-DTWKUNHWSA-N -1 1 364.196 2.396 20 0 FEADMM Brc1cccc(CCCNc2nccnc2-c2nnn[n-]2)c1 ZINC000735368956 598537198 /nfs/dbraw/zinc/53/71/98/598537198.db2.gz QKPZKWYUXGUJJS-UHFFFAOYSA-N -1 1 360.219 2.464 20 0 FEADMM Brc1cccc(CCCNc2nccnc2-c2nn[n-]n2)c1 ZINC000735368956 598537199 /nfs/dbraw/zinc/53/71/99/598537199.db2.gz QKPZKWYUXGUJJS-UHFFFAOYSA-N -1 1 360.219 2.464 20 0 FEADMM Clc1nsc(N2CC[C@H](CNc3ccccn3)C2)c1-c1nn[n-]n1 ZINC000737582439 598672385 /nfs/dbraw/zinc/67/23/85/598672385.db2.gz ANJDUBMBJALJEH-SECBINFHSA-N -1 1 362.850 2.310 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(Cl)ccc1OC(F)F ZINC000738370335 598677666 /nfs/dbraw/zinc/67/76/66/598677666.db2.gz CSUJILGISNXWJZ-UHFFFAOYSA-N -1 1 353.716 2.332 20 0 FEADMM CCC(CC)[C@@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736337566 598721075 /nfs/dbraw/zinc/72/10/75/598721075.db2.gz KOZQZBIPLWXRGV-ZDUSSCGKSA-N -1 1 372.429 2.086 20 0 FEADMM CCC(CC)[C@@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736337566 598721077 /nfs/dbraw/zinc/72/10/77/598721077.db2.gz KOZQZBIPLWXRGV-ZDUSSCGKSA-N -1 1 372.429 2.086 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)o1 ZINC000557451307 674449443 /nfs/dbraw/zinc/44/94/43/674449443.db2.gz DMDYODODXJOCAZ-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2CNC3=O)c1 ZINC000808115021 674442057 /nfs/dbraw/zinc/44/20/57/674442057.db2.gz LSXAXOWBUTXKSB-UHFFFAOYSA-N -1 1 366.782 2.082 20 0 FEADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736228976 599332197 /nfs/dbraw/zinc/33/21/97/599332197.db2.gz PFMLUHZZZLGYGQ-UWVGGRQHSA-N -1 1 355.851 2.187 20 0 FEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1ncccn1 ZINC000737279779 599360713 /nfs/dbraw/zinc/36/07/13/599360713.db2.gz MTLMOQMPIWQFLH-UHFFFAOYSA-N -1 1 374.364 2.405 20 0 FEADMM CSCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737181965 599378338 /nfs/dbraw/zinc/37/83/38/599378338.db2.gz MGCVDXVTHWQHCC-UHFFFAOYSA-N -1 1 360.443 2.432 20 0 FEADMM CSCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737181965 599378341 /nfs/dbraw/zinc/37/83/41/599378341.db2.gz MGCVDXVTHWQHCC-UHFFFAOYSA-N -1 1 360.443 2.432 20 0 FEADMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)NC1=S ZINC000821496993 599379058 /nfs/dbraw/zinc/37/90/58/599379058.db2.gz NTNWCOVKONZMNA-XFXZXTDPSA-N -1 1 366.406 2.284 20 0 FEADMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)NC1=S ZINC000821496993 599379061 /nfs/dbraw/zinc/37/90/61/599379061.db2.gz NTNWCOVKONZMNA-XFXZXTDPSA-N -1 1 366.406 2.284 20 0 FEADMM O=S(=O)([N-]CC(F)(F)Br)c1cnn(-c2ccccc2)c1 ZINC000808572523 674463534 /nfs/dbraw/zinc/46/35/34/674463534.db2.gz GAYZMFSIKFTUMK-UHFFFAOYSA-N -1 1 366.187 2.138 20 0 FEADMM c1ncn(-c2ccc(CNc3cc(-c4nnn[n-]4)nc4ccccc43)cn2)n1 ZINC000823797437 599478828 /nfs/dbraw/zinc/47/88/28/599478828.db2.gz OQUFKMLDEQSSRH-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1ncn(-c2ccc(CNc3cc(-c4nn[n-]n4)nc4ccccc43)cn2)n1 ZINC000823797437 599478831 /nfs/dbraw/zinc/47/88/31/599478831.db2.gz OQUFKMLDEQSSRH-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM CSC(C)(C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821940916 599548598 /nfs/dbraw/zinc/54/85/98/599548598.db2.gz ADGYPVFFQPHIBE-UHFFFAOYSA-N -1 1 360.443 2.430 20 0 FEADMM CSC(C)(C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821940916 599548600 /nfs/dbraw/zinc/54/86/00/599548600.db2.gz ADGYPVFFQPHIBE-UHFFFAOYSA-N -1 1 360.443 2.430 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2(C(F)F)CCCC2)cc1 ZINC000808646958 674466828 /nfs/dbraw/zinc/46/68/28/674466828.db2.gz NOEJCTLQTAEECP-UHFFFAOYSA-N -1 1 355.337 2.320 20 0 FEADMM Cc1cc(=O)[nH]c2cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc12 ZINC000808657217 674467446 /nfs/dbraw/zinc/46/74/46/674467446.db2.gz PLKHMNLUUIPTRZ-UHFFFAOYSA-N -1 1 356.300 2.474 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736443545 599716310 /nfs/dbraw/zinc/71/63/10/599716310.db2.gz RXQNOJLMQUJVKE-CYBMUJFWSA-N -1 1 368.409 2.394 20 0 FEADMM Cc1cc(NC(=O)c2ccccc2NS(C)(=O)=O)sc1C(=O)[O-] ZINC000738452039 599782624 /nfs/dbraw/zinc/78/26/24/599782624.db2.gz QDFKCRGAFPSVMC-UHFFFAOYSA-N -1 1 354.409 2.379 20 0 FEADMM O=C([O-])[C@@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000739248165 599818216 /nfs/dbraw/zinc/81/82/16/599818216.db2.gz BBFUMSMBOGDPJF-KRWDZBQOSA-N -1 1 367.361 2.052 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737651470 599850847 /nfs/dbraw/zinc/85/08/47/599850847.db2.gz SWMDHHYMWRXHGF-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3cccc(F)c3C(=O)[O-])cc12 ZINC000588621719 599851137 /nfs/dbraw/zinc/85/11/37/599851137.db2.gz CLBBCUUOIXPIGE-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM Cc1cncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000822399619 607404341 /nfs/dbraw/zinc/40/43/41/607404341.db2.gz KXHHULJLWLHTTI-WAYWQWQTSA-N -1 1 352.402 2.174 20 0 FEADMM Cc1cncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000822399619 607404342 /nfs/dbraw/zinc/40/43/42/607404342.db2.gz KXHHULJLWLHTTI-WAYWQWQTSA-N -1 1 352.402 2.174 20 0 FEADMM C[C@H](CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CC1)C(=O)[O-] ZINC000736578273 599948699 /nfs/dbraw/zinc/94/86/99/599948699.db2.gz KZUJTORDEVHYPJ-SECBINFHSA-N -1 1 356.325 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(OC)c(C)c2C)o1 ZINC000557983285 674477646 /nfs/dbraw/zinc/47/76/46/674477646.db2.gz FIOYSSKWNZLYKC-UHFFFAOYSA-N -1 1 352.412 2.374 20 0 FEADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnc3onc(C)c3c2)c1 ZINC000588621793 600006219 /nfs/dbraw/zinc/00/62/19/600006219.db2.gz CTLSHRZKIQQCGI-UHFFFAOYSA-N -1 1 363.351 2.039 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1[nH]c(-c2ccccc2)nc1C)C(=O)[O-] ZINC000736875842 600029173 /nfs/dbraw/zinc/02/91/73/600029173.db2.gz WMTOGIRNOZFPGU-XHDPSFHLSA-N -1 1 373.409 2.157 20 0 FEADMM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000739544073 600064239 /nfs/dbraw/zinc/06/42/39/600064239.db2.gz DKJKONWHXCPSFS-CABCVRRESA-N -1 1 370.371 2.460 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000737528938 600073537 /nfs/dbraw/zinc/07/35/37/600073537.db2.gz FFBAAMBZUDHRSI-NWDGAFQWSA-N -1 1 371.359 2.116 20 0 FEADMM CCOc1cccc(N2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000737212739 600092991 /nfs/dbraw/zinc/09/29/91/600092991.db2.gz KEFQCLLIRBOSRD-UHFFFAOYSA-N -1 1 371.437 2.380 20 0 FEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000736718247 600100649 /nfs/dbraw/zinc/10/06/49/600100649.db2.gz RZZKNFARXNVXSC-NSHDSACASA-N -1 1 366.414 2.364 20 0 FEADMM Cc1[nH]nc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1Br ZINC000738820648 600194409 /nfs/dbraw/zinc/19/44/09/600194409.db2.gz HZUVETQEWKANCP-LBPRGKRZSA-N -1 1 352.188 2.379 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(F)c1 ZINC000326297338 600236084 /nfs/dbraw/zinc/23/60/84/600236084.db2.gz QZQVMBCENJYZHQ-UHFFFAOYSA-N -1 1 358.278 2.372 20 0 FEADMM O=C([O-])CCc1nnc(NC(=O)c2ccc(Br)cc2O)s1 ZINC000739777332 600269039 /nfs/dbraw/zinc/26/90/39/600269039.db2.gz NSXDHWZMNJLAGH-UHFFFAOYSA-N -1 1 372.200 2.276 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCCCSc1ccccc1)CC2 ZINC000739279105 600289461 /nfs/dbraw/zinc/28/94/61/600289461.db2.gz SJEFZFKTWKOKEC-INIZCTEOSA-N -1 1 362.495 2.472 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000737146533 600303208 /nfs/dbraw/zinc/30/32/08/600303208.db2.gz MRBHDNBWXBDIOB-ZDUSSCGKSA-N -1 1 362.426 2.178 20 0 FEADMM CC(C)c1ccc(OCCNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736514806 600303274 /nfs/dbraw/zinc/30/32/74/600303274.db2.gz BMHNZCOSTNKQLB-SFHVURJKSA-N -1 1 374.481 2.492 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCCc1cccc3cccnc31)CC2 ZINC000739277364 600310193 /nfs/dbraw/zinc/31/01/93/600310193.db2.gz ADAVGAWWUAUAAD-QGZVFWFLSA-N -1 1 367.449 2.080 20 0 FEADMM COc1ccc([C@H](NCCC(=O)NCC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737974866 600318013 /nfs/dbraw/zinc/31/80/13/600318013.db2.gz XBMXADPTILHVAG-LJQANCHMSA-N -1 1 360.385 2.104 20 0 FEADMM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cc1cc(=O)n2ccccc2n1 ZINC000739720440 600327038 /nfs/dbraw/zinc/32/70/38/600327038.db2.gz YDYQUEUTCFXNRP-UHFFFAOYSA-N -1 1 373.359 2.450 20 0 FEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](C)CN3CCOCC3)c12 ZINC000572648827 600365391 /nfs/dbraw/zinc/36/53/91/600365391.db2.gz RPSKLUCNIWRQFC-JTQLQIEISA-N -1 1 364.471 2.387 20 0 FEADMM COC(=O)c1c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])sc2c1CCCC2 ZINC000578872234 600368487 /nfs/dbraw/zinc/36/84/87/600368487.db2.gz TXKUFRXFWMICBF-SNVBAGLBSA-N -1 1 368.455 2.005 20 0 FEADMM CCOc1ccc2nc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])sc2c1 ZINC000737210921 600372537 /nfs/dbraw/zinc/37/25/37/600372537.db2.gz PJABJENUBLIWBZ-JTQLQIEISA-N -1 1 351.428 2.286 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000324916881 600513801 /nfs/dbraw/zinc/51/38/01/600513801.db2.gz KNECBKRONHBNQH-UHFFFAOYSA-N -1 1 371.758 2.451 20 0 FEADMM O=C([O-])CCN(CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CCCO1 ZINC000739717019 600513970 /nfs/dbraw/zinc/51/39/70/600513970.db2.gz DXWAITXRGADSIN-WMZOPIPTSA-N -1 1 360.454 2.136 20 0 FEADMM CC[C@@](C)(NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000736861735 600559122 /nfs/dbraw/zinc/55/91/22/600559122.db2.gz UQNMGWIFLZGIDY-HNAYVOBHSA-N -1 1 364.442 2.210 20 0 FEADMM COC[C@@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC000737752789 600573786 /nfs/dbraw/zinc/57/37/86/600573786.db2.gz YRIYKLFXXGIPGC-LLVKDONJSA-N -1 1 352.456 2.232 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cc1OCC ZINC000327456680 600576163 /nfs/dbraw/zinc/57/61/63/600576163.db2.gz CYVIUZPEEDJDID-UHFFFAOYSA-N -1 1 366.395 2.378 20 0 FEADMM COc1ccc([C@@H](NC(=O)[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000737958122 600587753 /nfs/dbraw/zinc/58/77/53/600587753.db2.gz WXJRGRDNYPGZKR-RDTXWAMCSA-N -1 1 356.422 2.458 20 0 FEADMM Cc1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1C ZINC000738249255 600616183 /nfs/dbraw/zinc/61/61/83/600616183.db2.gz RJHQHJBBSDMCDC-GFCCVEGCSA-N -1 1 352.188 2.345 20 0 FEADMM COCC1(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1 ZINC000809248324 674488620 /nfs/dbraw/zinc/48/86/20/674488620.db2.gz AZOCBRUIQIEJDQ-SRVKXCTJSA-N -1 1 350.381 2.107 20 0 FEADMM O=C([O-])CCCc1nnc(NC(=O)N2CCN(C3CCCC3)CC2)s1 ZINC000739704920 600636635 /nfs/dbraw/zinc/63/66/35/600636635.db2.gz XXNDQFKPMAXIEB-UHFFFAOYSA-N -1 1 367.475 2.038 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1C(=O)[O-] ZINC000831327714 600687858 /nfs/dbraw/zinc/68/78/58/600687858.db2.gz LPSDDZKUCOABNA-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829770293 600745402 /nfs/dbraw/zinc/74/54/02/600745402.db2.gz GZNSFGZHEFJZCL-ZDUSSCGKSA-N -1 1 360.863 2.191 20 0 FEADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829770293 600745405 /nfs/dbraw/zinc/74/54/05/600745405.db2.gz GZNSFGZHEFJZCL-ZDUSSCGKSA-N -1 1 360.863 2.191 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c2)CC1 ZINC000830954818 600877555 /nfs/dbraw/zinc/87/75/55/600877555.db2.gz MGAXKXRBQCVDRM-UHFFFAOYSA-N -1 1 367.449 2.313 20 0 FEADMM CC[C@](C)(NC[C@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000828693070 601015781 /nfs/dbraw/zinc/01/57/81/601015781.db2.gz QNVAREZLTFLBSJ-GUYCJALGSA-N -1 1 350.440 2.496 20 0 FEADMM CC[C@](C)(NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000828693067 601015931 /nfs/dbraw/zinc/01/59/31/601015931.db2.gz QNVAREZLTFLBSJ-DYVFJYSZSA-N -1 1 350.440 2.496 20 0 FEADMM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630223048 601083925 /nfs/dbraw/zinc/08/39/25/601083925.db2.gz IFDTZZHONOHIHY-GJZGRUSLSA-N -1 1 350.434 2.402 20 0 FEADMM Cc1nc2ccccc2c(C)c1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000833006323 601088951 /nfs/dbraw/zinc/08/89/51/601088951.db2.gz OWYGRCLHXBNLBX-CQSZACIVSA-N -1 1 369.465 2.402 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832928413 601091132 /nfs/dbraw/zinc/09/11/32/601091132.db2.gz RBNWBRWITVJXOZ-HQRMLTQVSA-N -1 1 374.481 2.470 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000630223707 601095778 /nfs/dbraw/zinc/09/57/78/601095778.db2.gz KWDPFTYUBRXVPC-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000630225333 601099253 /nfs/dbraw/zinc/09/92/53/601099253.db2.gz UHPCOBGYWDECCS-GFCCVEGCSA-N -1 1 358.360 2.255 20 0 FEADMM CCc1cccc2c(CC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c[nH]c21 ZINC000630224889 601100144 /nfs/dbraw/zinc/10/01/44/601100144.db2.gz PPTDOEIZZXGPMX-AWEZNQCLSA-N -1 1 357.454 2.280 20 0 FEADMM COc1ccccc1C/C(C)=C/C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832607308 601103334 /nfs/dbraw/zinc/10/33/34/601103334.db2.gz BWYLRCIKTMARBT-QJPKHSJYSA-N -1 1 360.454 2.191 20 0 FEADMM Cc1cc(CN2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)oc1C(=O)[O-] ZINC000738381711 601104255 /nfs/dbraw/zinc/10/42/55/601104255.db2.gz DDLBMYQYDVJRQX-CYBMUJFWSA-N -1 1 362.430 2.499 20 0 FEADMM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)CCc1nc[nH]n1 ZINC000833248678 601138290 /nfs/dbraw/zinc/13/82/90/601138290.db2.gz WSLBRBHAJCEBPW-UHFFFAOYSA-N -1 1 371.224 2.200 20 0 FEADMM O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000327421914 601240702 /nfs/dbraw/zinc/24/07/02/601240702.db2.gz GPHIQQJOIASRLY-CXOKCQFOSA-N -1 1 364.467 2.033 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000829141749 601332566 /nfs/dbraw/zinc/33/25/66/601332566.db2.gz PJFPDZKFJCOFLS-IUODEOHRSA-N -1 1 350.419 2.085 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000827385164 601337558 /nfs/dbraw/zinc/33/75/58/601337558.db2.gz HUGXJGJSGQYPSJ-NSHDSACASA-N -1 1 373.425 2.466 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)NCCSc2ccccc2)CC1 ZINC000827380292 601338774 /nfs/dbraw/zinc/33/87/74/601338774.db2.gz QSYJFKHYGPCWPY-CQSZACIVSA-N -1 1 367.540 2.134 20 0 FEADMM C[C@@H](SCC(=O)Nc1cccc(CN2CCSCC2)c1)C(=O)[O-] ZINC000827901828 601344985 /nfs/dbraw/zinc/34/49/85/601344985.db2.gz AYAIEAJPJWLBIW-GFCCVEGCSA-N -1 1 354.497 2.380 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@]3(CCCOC3)C2)cc1 ZINC000833285296 601356078 /nfs/dbraw/zinc/35/60/78/601356078.db2.gz BGUKDQXUTPDOPK-IBGZPJMESA-N -1 1 361.442 2.285 20 0 FEADMM Cc1nnc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2)n1C ZINC000822505264 607502394 /nfs/dbraw/zinc/50/23/94/607502394.db2.gz FTJRCYCDJVPVDT-UHFFFAOYSA-N -1 1 366.410 2.284 20 0 FEADMM Cc1nnc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2)n1C ZINC000822505264 607502395 /nfs/dbraw/zinc/50/23/95/607502395.db2.gz FTJRCYCDJVPVDT-UHFFFAOYSA-N -1 1 366.410 2.284 20 0 FEADMM CC(C)N(C)C(=O)C1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000826930606 601396798 /nfs/dbraw/zinc/39/67/98/601396798.db2.gz ZZJWDAXNYHGCPS-UHFFFAOYSA-N -1 1 358.442 2.271 20 0 FEADMM CCC(CC)[C@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)N1CCOCC1 ZINC000828854473 601410500 /nfs/dbraw/zinc/41/05/00/601410500.db2.gz GIWVIYFOORMKHG-INIZCTEOSA-N -1 1 369.506 2.068 20 0 FEADMM Cc1nc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)sc1C(=O)[O-] ZINC000833004082 601435590 /nfs/dbraw/zinc/43/55/90/601435590.db2.gz QSXBOMOAPJLNKH-ZDUSSCGKSA-N -1 1 360.439 2.395 20 0 FEADMM COC[C@](C)(CC(=O)[O-])NCc1cn2cc(Br)ccc2n1 ZINC000831586106 601491453 /nfs/dbraw/zinc/49/14/53/601491453.db2.gz SXLZAHWUOLWROO-AWEZNQCLSA-N -1 1 356.220 2.066 20 0 FEADMM CCC1CCC(NCC(=O)NCc2ccccc2COC)(C(=O)[O-])CC1 ZINC000829101808 601495833 /nfs/dbraw/zinc/49/58/33/601495833.db2.gz XVMKQKJHIPZRIR-UHFFFAOYSA-N -1 1 362.470 2.462 20 0 FEADMM C[C@@H]1CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C[C@@H]1C(=O)[O-] ZINC000828433392 601501141 /nfs/dbraw/zinc/50/11/41/601501141.db2.gz UHTAONCTQQVFEN-VNHYZAJKSA-N -1 1 371.393 2.203 20 0 FEADMM C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425079 601529668 /nfs/dbraw/zinc/52/96/68/601529668.db2.gz WWDUJWFUDSVRRQ-YWVKMMECSA-N -1 1 351.403 2.415 20 0 FEADMM O=C([O-])[C@@]1(F)CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000833104693 601555395 /nfs/dbraw/zinc/55/53/95/601555395.db2.gz DUWWOCMPDQZDLU-CQSZACIVSA-N -1 1 374.294 2.019 20 0 FEADMM O=C([O-])[C@@]1([N-]C(=O)C(F)(F)C(F)F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833176651 601741274 /nfs/dbraw/zinc/74/12/74/601741274.db2.gz VJEMAOXTDZEWPP-OAHLLOKOSA-N -1 1 362.323 2.122 20 0 FEADMM CCCc1nc([C@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CCO2)n[nH]1 ZINC000829570577 601772918 /nfs/dbraw/zinc/77/29/18/601772918.db2.gz IWHOAVCWAZZCHP-CQSZACIVSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CCO2)n1 ZINC000829570577 601772919 /nfs/dbraw/zinc/77/29/19/601772919.db2.gz IWHOAVCWAZZCHP-CQSZACIVSA-N -1 1 373.413 2.369 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2)CC1 ZINC000663129118 601820176 /nfs/dbraw/zinc/82/01/76/601820176.db2.gz OYIDSGXVFIMKKI-UHFFFAOYSA-N -1 1 373.497 2.151 20 0 FEADMM CC(C)[C@H](NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000827091794 601824823 /nfs/dbraw/zinc/82/48/23/601824823.db2.gz FFSBJCIIXPWVSS-DYVFJYSZSA-N -1 1 359.382 2.249 20 0 FEADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CCN1C ZINC000828169710 601841560 /nfs/dbraw/zinc/84/15/60/601841560.db2.gz VQHJZTBMYQOQMW-WDEREUQCSA-N -1 1 360.863 2.141 20 0 FEADMM CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000320892936 601842270 /nfs/dbraw/zinc/84/22/70/601842270.db2.gz DZBYAEUVQRWCKY-LLVKDONJSA-N -1 1 360.863 2.143 20 0 FEADMM Cc1ccc(N2C(=O)C[C@@H](N3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1Cl ZINC000832936066 601850520 /nfs/dbraw/zinc/85/05/20/601850520.db2.gz WCVBMSSVSFYTJJ-DYVFJYSZSA-N -1 1 350.802 2.077 20 0 FEADMM O=C([O-])NCCc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000740672735 601891031 /nfs/dbraw/zinc/89/10/31/601891031.db2.gz SBOHPHZPQNHVBU-UHFFFAOYSA-N -1 1 365.389 2.268 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CCCCOC)c(F)cc1Cl ZINC000809390563 674492726 /nfs/dbraw/zinc/49/27/26/674492726.db2.gz DKDFUWDWPNDQAV-UHFFFAOYSA-N -1 1 367.826 2.361 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1-c1nn[nH]n1 ZINC000826303925 607536227 /nfs/dbraw/zinc/53/62/27/607536227.db2.gz MRVWOPCCDABFOW-UHFFFAOYSA-N -1 1 369.328 2.393 20 0 FEADMM C[C@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738921438 602009541 /nfs/dbraw/zinc/00/95/41/602009541.db2.gz URKHEBBLPWWHPF-CVEARBPZSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)[O-])n[nH]1 ZINC000740241992 602011854 /nfs/dbraw/zinc/01/18/54/602011854.db2.gz HLKZJSDDECCNDM-ZUZCIYMTSA-N -1 1 374.445 2.078 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000832917945 602017044 /nfs/dbraw/zinc/01/70/44/602017044.db2.gz RNDOMXJSYREBAX-WCQYABFASA-N -1 1 371.393 2.407 20 0 FEADMM c1csc(Cc2nc(SCc3ccnc(-c4nn[n-]n4)c3)n[nH]2)c1 ZINC000826526940 607540100 /nfs/dbraw/zinc/54/01/00/607540100.db2.gz SMPIRSMSVIZEAN-UHFFFAOYSA-N -1 1 356.440 2.324 20 0 FEADMM CN(C[C@@H]1CCCN(C(=O)NCCN2CCc3ccccc3C2)C1)C(=O)[O-] ZINC000739643440 602084994 /nfs/dbraw/zinc/08/49/94/602084994.db2.gz QVHNHMVCHHNVJJ-INIZCTEOSA-N -1 1 374.485 2.076 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccsc1 ZINC000739644071 602087102 /nfs/dbraw/zinc/08/71/02/602087102.db2.gz STKMPGONRZZJST-UKRRQHHQSA-N -1 1 368.503 2.382 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1ccco1 ZINC000739405316 602144812 /nfs/dbraw/zinc/14/48/12/602144812.db2.gz BFQUDCXZEZRIQP-LSDHHAIUSA-N -1 1 366.462 2.352 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)N2CCCC2)o1 ZINC000740116761 602186020 /nfs/dbraw/zinc/18/60/20/602186020.db2.gz GAHMOIDFGDMPJV-GJZGRUSLSA-N -1 1 364.446 2.024 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC3(CCC3)C2)cc(C(=O)[O-])c1 ZINC000831257818 602239895 /nfs/dbraw/zinc/23/98/95/602239895.db2.gz LYKOZTCSWNNZFJ-LBPRGKRZSA-N -1 1 360.410 2.374 20 0 FEADMM CC(=O)c1cccc(OC[C@H](O)CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c1 ZINC000738603896 602273628 /nfs/dbraw/zinc/27/36/28/602273628.db2.gz XERVQTQEPLHZGR-MZMPZRCHSA-N -1 1 364.442 2.140 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000740534765 602326369 /nfs/dbraw/zinc/32/63/69/602326369.db2.gz LKHYNNGZBIVZNP-INIZCTEOSA-N -1 1 351.366 2.085 20 0 FEADMM CN(C)[C@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)c1cccc(F)c1 ZINC000739604037 602351219 /nfs/dbraw/zinc/35/12/19/602351219.db2.gz WIUGAZVXKRPUGJ-VDSRIPIWSA-N -1 1 351.422 2.371 20 0 FEADMM COC[C@@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C1CC1 ZINC000826150982 607563186 /nfs/dbraw/zinc/56/31/86/607563186.db2.gz QNQRASJOSQSGSF-CYBMUJFWSA-N -1 1 374.470 2.016 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738631446 602399711 /nfs/dbraw/zinc/39/97/11/602399711.db2.gz VWEUEDMZKIUAJV-KGLIPLIRSA-N -1 1 351.422 2.152 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3c(n2)CCCC3)n1 ZINC000824148353 607565477 /nfs/dbraw/zinc/56/54/77/607565477.db2.gz RISBOOGWWGSIRR-UHFFFAOYSA-N -1 1 366.429 2.344 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3c(n2)CCCC3)n1 ZINC000824148353 607565479 /nfs/dbraw/zinc/56/54/79/607565479.db2.gz RISBOOGWWGSIRR-UHFFFAOYSA-N -1 1 366.429 2.344 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000739016210 602463433 /nfs/dbraw/zinc/46/34/33/602463433.db2.gz OGBCKIXHXCTVKE-CHWSQXEVSA-N -1 1 362.430 2.091 20 0 FEADMM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560642 602530776 /nfs/dbraw/zinc/53/07/76/602530776.db2.gz SGXQSSRCASYPNW-CYBMUJFWSA-N -1 1 351.422 2.247 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739060231 602533377 /nfs/dbraw/zinc/53/33/77/602533377.db2.gz WMXPORPDOJHRKS-KBPBESRZSA-N -1 1 351.422 2.277 20 0 FEADMM O=Cc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826483829 607572275 /nfs/dbraw/zinc/57/22/75/607572275.db2.gz BFKGSKJAVCAMRG-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM O=Cc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826483829 607572276 /nfs/dbraw/zinc/57/22/76/607572276.db2.gz BFKGSKJAVCAMRG-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnnn1Cc1ccccc1 ZINC000739099600 602553825 /nfs/dbraw/zinc/55/38/25/602553825.db2.gz KKVQLGQQOUWFGR-KSSFIOAISA-N -1 1 358.446 2.028 20 0 FEADMM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nc2ccccc2c(=O)n1C ZINC000739102632 602553888 /nfs/dbraw/zinc/55/38/88/602553888.db2.gz SDUDTRFIKHDHLM-ORAYPTAESA-N -1 1 358.442 2.240 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccc(F)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351947 602578557 /nfs/dbraw/zinc/57/85/57/602578557.db2.gz RKIVBFLMKRQTHV-INIZCTEOSA-N -1 1 351.422 2.248 20 0 FEADMM C[C@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738612383 602591102 /nfs/dbraw/zinc/59/11/02/602591102.db2.gz GQBWYHQJBJUAII-OAHLLOKOSA-N -1 1 359.470 2.282 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCN1C(=O)[O-])c1ccco1 ZINC000739405776 602612894 /nfs/dbraw/zinc/61/28/94/602612894.db2.gz CYBPMZVJWHMFMX-ZIAGYGMSSA-N -1 1 352.435 2.104 20 0 FEADMM C[C@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738984010 602665164 /nfs/dbraw/zinc/66/51/64/602665164.db2.gz VOULJYYRONMBFH-JSGCOSHPSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738984010 602665165 /nfs/dbraw/zinc/66/51/65/602665165.db2.gz VOULJYYRONMBFH-JSGCOSHPSA-N -1 1 372.429 2.049 20 0 FEADMM CCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825395719 607583541 /nfs/dbraw/zinc/58/35/41/607583541.db2.gz UWVJAHBUROZDDN-UHFFFAOYSA-N -1 1 361.349 2.059 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CC[C@H]1NC(=O)[O-] ZINC000739132043 602836453 /nfs/dbraw/zinc/83/64/53/602836453.db2.gz DXMWQMKLZKMLJA-DAXOMENPSA-N -1 1 366.437 2.116 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000809826486 674513434 /nfs/dbraw/zinc/51/34/34/674513434.db2.gz HNUGNLZGAINLME-HNNXBMFYSA-N -1 1 371.499 2.284 20 0 FEADMM O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000740405447 602883996 /nfs/dbraw/zinc/88/39/96/602883996.db2.gz HMZLBYKTNAYAME-HUUCEWRRSA-N -1 1 364.446 2.248 20 0 FEADMM CCN(CC)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825415676 607598670 /nfs/dbraw/zinc/59/86/70/607598670.db2.gz DNHNTWWEZFIPAO-UHFFFAOYSA-N -1 1 352.398 2.465 20 0 FEADMM CCN(CC)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825415676 607598672 /nfs/dbraw/zinc/59/86/72/607598672.db2.gz DNHNTWWEZFIPAO-UHFFFAOYSA-N -1 1 352.398 2.465 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-])c1cccs1 ZINC000827993815 603003559 /nfs/dbraw/zinc/00/35/59/603003559.db2.gz GINMFXDADKILAJ-MGPQQGTHSA-N -1 1 368.503 2.476 20 0 FEADMM CC1CCC(C)(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824909408 607603115 /nfs/dbraw/zinc/60/31/15/607603115.db2.gz TVIWQMLUMWLPQH-UHFFFAOYSA-N -1 1 353.423 2.253 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COc3ccccc3)cc2)n1 ZINC000740681411 603058029 /nfs/dbraw/zinc/05/80/29/603058029.db2.gz JXOSUNCMMUJVDW-UHFFFAOYSA-N -1 1 367.365 2.257 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COc3ccccc3)cc2)n[nH]1 ZINC000740681411 603058033 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605616825 /nfs/dbraw/zinc/61/68/25/605616825.db2.gz OJYRZBCUPCGABD-HUUCEWRRSA-N -1 1 369.462 2.030 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)n[nH]1 ZINC000830029583 605621592 /nfs/dbraw/zinc/62/15/92/605621592.db2.gz HXFXNPSGOKLIBY-XHDPSFHLSA-N -1 1 351.451 2.165 20 0 FEADMM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000559071504 674526789 /nfs/dbraw/zinc/52/67/89/674526789.db2.gz RTSFQEDDVBRASZ-MNOVXSKESA-N -1 1 369.409 2.311 20 0 FEADMM CCCN(C(=O)c1n[nH]c(C)c1Br)C1CCN(C(=O)[O-])CC1 ZINC000826879242 605820931 /nfs/dbraw/zinc/82/09/31/605820931.db2.gz IQBCJHVNTCKLLF-UHFFFAOYSA-N -1 1 373.251 2.475 20 0 FEADMM O=C([O-])N1CC[C@@H](N(C(=O)Nc2cnn(-c3ccncc3)c2)C2CC2)C1 ZINC000831934574 605894760 /nfs/dbraw/zinc/89/47/60/605894760.db2.gz KZEJOSOCZCZKJP-OAHLLOKOSA-N -1 1 356.386 2.016 20 0 FEADMM Cc1nc(NC(=O)[O-])sc1C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000833913859 605972577 /nfs/dbraw/zinc/97/25/77/605972577.db2.gz HHTFAGVKKIYAIE-NSHDSACASA-N -1 1 357.432 2.055 20 0 FEADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(C)n1 ZINC000822340872 606031220 /nfs/dbraw/zinc/03/12/20/606031220.db2.gz LBAMDAJYHVBLKT-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(C)n1 ZINC000822340872 606031222 /nfs/dbraw/zinc/03/12/22/606031222.db2.gz LBAMDAJYHVBLKT-UHFFFAOYSA-N -1 1 360.381 2.223 20 0 FEADMM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000834193823 606079794 /nfs/dbraw/zinc/07/97/94/606079794.db2.gz NFJKNJHWFDNAJN-GFCCVEGCSA-N -1 1 365.386 2.146 20 0 FEADMM O=C(CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)Nc1ccccc1F ZINC000810071310 674529428 /nfs/dbraw/zinc/52/94/28/674529428.db2.gz BEIPAVPOWWNQRW-LLVKDONJSA-N -1 1 361.339 2.155 20 0 FEADMM COCCCOc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821688729 606128193 /nfs/dbraw/zinc/12/81/93/606128193.db2.gz XPNKCQSXRYQTLZ-UHFFFAOYSA-N -1 1 369.381 2.240 20 0 FEADMM O=C(O[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823392185 606138265 /nfs/dbraw/zinc/13/82/65/606138265.db2.gz MTHXZOQTKCTFHF-LLVKDONJSA-N -1 1 373.369 2.030 20 0 FEADMM O=C(O[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823392185 606138266 /nfs/dbraw/zinc/13/82/66/606138266.db2.gz MTHXZOQTKCTFHF-LLVKDONJSA-N -1 1 373.369 2.030 20 0 FEADMM Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822196474 606139403 /nfs/dbraw/zinc/13/94/03/606139403.db2.gz KUUWNMGJQVOTKC-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196474 606139405 /nfs/dbraw/zinc/13/94/05/606139405.db2.gz KUUWNMGJQVOTKC-UHFFFAOYSA-N -1 1 357.395 2.341 20 0 FEADMM CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820020335 606166251 /nfs/dbraw/zinc/16/62/51/606166251.db2.gz FCDJVEIDSRIECQ-CYBMUJFWSA-N -1 1 354.418 2.162 20 0 FEADMM CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820020335 606166253 /nfs/dbraw/zinc/16/62/53/606166253.db2.gz FCDJVEIDSRIECQ-CYBMUJFWSA-N -1 1 354.418 2.162 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726993 606188120 /nfs/dbraw/zinc/18/81/20/606188120.db2.gz DZWPSEVGBSUDRI-QLJPJBMISA-N -1 1 352.373 2.454 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726993 606188122 /nfs/dbraw/zinc/18/81/22/606188122.db2.gz DZWPSEVGBSUDRI-QLJPJBMISA-N -1 1 352.373 2.454 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000823294890 606196503 /nfs/dbraw/zinc/19/65/03/606196503.db2.gz WLZPPZMKYWICGZ-UHFFFAOYSA-N -1 1 364.365 2.173 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000821346792 606297535 /nfs/dbraw/zinc/29/75/35/606297535.db2.gz PYSMKDFJMJJWKM-MRVPVSSYSA-N -1 1 360.399 2.379 20 0 FEADMM CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820898079 606332780 /nfs/dbraw/zinc/33/27/80/606332780.db2.gz TXJKENPYDYKYBY-UHFFFAOYSA-N -1 1 352.464 2.097 20 0 FEADMM CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820898079 606332781 /nfs/dbraw/zinc/33/27/81/606332781.db2.gz TXJKENPYDYKYBY-UHFFFAOYSA-N -1 1 352.464 2.097 20 0 FEADMM O=c1[nH]c2ccccc2n1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823656732 606430045 /nfs/dbraw/zinc/43/00/45/606430045.db2.gz FVOOJVODWJWBBP-UHFFFAOYSA-N -1 1 356.777 2.083 20 0 FEADMM O=c1[nH]c2ccccc2n1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823656732 606430047 /nfs/dbraw/zinc/43/00/47/606430047.db2.gz FVOOJVODWJWBBP-UHFFFAOYSA-N -1 1 356.777 2.083 20 0 FEADMM C[C@@H]1Oc2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2NC1=O ZINC000820819550 606444663 /nfs/dbraw/zinc/44/46/63/606444663.db2.gz JYRQCAIPCIIFFY-ZETCQYMHSA-N -1 1 357.761 2.378 20 0 FEADMM C[C@@H]1Oc2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2NC1=O ZINC000820819550 606444665 /nfs/dbraw/zinc/44/46/65/606444665.db2.gz JYRQCAIPCIIFFY-ZETCQYMHSA-N -1 1 357.761 2.378 20 0 FEADMM Cn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1ccncc1 ZINC000822605022 606445253 /nfs/dbraw/zinc/44/52/53/606445253.db2.gz VCQONFNSQWHJES-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Cn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1ccncc1 ZINC000822605022 606445255 /nfs/dbraw/zinc/44/52/55/606445255.db2.gz VCQONFNSQWHJES-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM CCOC(=O)C1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821321186 606458773 /nfs/dbraw/zinc/45/87/73/606458773.db2.gz VWHKMGAFYBVMCM-UHFFFAOYSA-N -1 1 350.810 2.449 20 0 FEADMM CCOC(=O)C1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821321186 606458774 /nfs/dbraw/zinc/45/87/74/606458774.db2.gz VWHKMGAFYBVMCM-UHFFFAOYSA-N -1 1 350.810 2.449 20 0 FEADMM CCOC(=O)c1cnn(-c2ccc(Cl)c(-c3nnn[n-]3)n2)c1C(F)F ZINC000821343224 606466346 /nfs/dbraw/zinc/46/63/46/606466346.db2.gz LUMCBFBWYSXWQI-UHFFFAOYSA-N -1 1 369.719 2.215 20 0 FEADMM CCOC(=O)c1cnn(-c2ccc(Cl)c(-c3nn[n-]n3)n2)c1C(F)F ZINC000821343224 606466347 /nfs/dbraw/zinc/46/63/47/606466347.db2.gz LUMCBFBWYSXWQI-UHFFFAOYSA-N -1 1 369.719 2.215 20 0 FEADMM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821612400 606477663 /nfs/dbraw/zinc/47/76/63/606477663.db2.gz UCVVQIIHMJHUPJ-DEOSSOPVSA-N -1 1 362.846 2.289 20 0 FEADMM CN(Cc1ccc([S@](C)=O)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821612400 606477665 /nfs/dbraw/zinc/47/76/65/606477665.db2.gz UCVVQIIHMJHUPJ-DEOSSOPVSA-N -1 1 362.846 2.289 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2cccc(F)c2)CC1 ZINC000823483164 606512629 /nfs/dbraw/zinc/51/26/29/606512629.db2.gz DTVKXMBCRZLCEB-UHFFFAOYSA-N -1 1 358.402 2.030 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2cccc(F)c2)CC1 ZINC000823483164 606512630 /nfs/dbraw/zinc/51/26/30/606512630.db2.gz DTVKXMBCRZLCEB-UHFFFAOYSA-N -1 1 358.402 2.030 20 0 FEADMM O=C(Oc1ccc(N2CCOC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823455129 606514476 /nfs/dbraw/zinc/51/44/76/606514476.db2.gz WRRBBRUQMFOSAK-UHFFFAOYSA-N -1 1 357.351 2.104 20 0 FEADMM O=C(Oc1ccc(N2CCOC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823455129 606514478 /nfs/dbraw/zinc/51/44/78/606514478.db2.gz WRRBBRUQMFOSAK-UHFFFAOYSA-N -1 1 357.351 2.104 20 0 FEADMM O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823266351 606522126 /nfs/dbraw/zinc/52/21/26/606522126.db2.gz UMJRNNDCMLAZME-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823266351 606522128 /nfs/dbraw/zinc/52/21/28/606522128.db2.gz UMJRNNDCMLAZME-UHFFFAOYSA-N -1 1 351.395 2.044 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3ccc(Cl)cc3n2)n1 ZINC000822619794 606524733 /nfs/dbraw/zinc/52/47/33/606524733.db2.gz FWMVFDXEEVFHMV-UHFFFAOYSA-N -1 1 354.761 2.054 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3ccc(Cl)cc3n2)n1 ZINC000822619794 606524734 /nfs/dbraw/zinc/52/47/34/606524734.db2.gz FWMVFDXEEVFHMV-UHFFFAOYSA-N -1 1 354.761 2.054 20 0 FEADMM O=C(Nc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823383317 606530238 /nfs/dbraw/zinc/53/02/38/606530238.db2.gz PMYMFAONDYSHNI-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823383317 606530240 /nfs/dbraw/zinc/53/02/40/606530240.db2.gz PMYMFAONDYSHNI-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000823484365 606578385 /nfs/dbraw/zinc/57/83/85/606578385.db2.gz WUFIZBUKRMIODK-JTQLQIEISA-N -1 1 371.426 2.208 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000823484365 606578388 /nfs/dbraw/zinc/57/83/88/606578388.db2.gz WUFIZBUKRMIODK-JTQLQIEISA-N -1 1 371.426 2.208 20 0 FEADMM CCOc1ccccc1CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821431261 606648704 /nfs/dbraw/zinc/64/87/04/606648704.db2.gz NVTYAHCEPHSEHK-UHFFFAOYSA-N -1 1 353.382 2.336 20 0 FEADMM CCOc1ccccc1CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821431261 606648705 /nfs/dbraw/zinc/64/87/05/606648705.db2.gz NVTYAHCEPHSEHK-UHFFFAOYSA-N -1 1 353.382 2.336 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CC(OCc2ccccc2)C1 ZINC000823435807 606649954 /nfs/dbraw/zinc/64/99/54/606649954.db2.gz AKJYSGFAMBFWBW-UHFFFAOYSA-N -1 1 365.393 2.300 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CC(OCc2ccccc2)C1 ZINC000823435807 606649955 /nfs/dbraw/zinc/64/99/55/606649955.db2.gz AKJYSGFAMBFWBW-UHFFFAOYSA-N -1 1 365.393 2.300 20 0 FEADMM COC[C@H](C)CC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000821681352 606759816 /nfs/dbraw/zinc/75/98/16/606759816.db2.gz IIYFQRKXFLBFQJ-GFCCVEGCSA-N -1 1 370.413 2.077 20 0 FEADMM O=C(C1CCCC1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822916972 606792588 /nfs/dbraw/zinc/79/25/88/606792588.db2.gz KGYYAXMHLIWOFL-VIFPVBQESA-N -1 1 367.866 2.180 20 0 FEADMM O=C(C1CCCC1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822916972 606792590 /nfs/dbraw/zinc/79/25/90/606792590.db2.gz KGYYAXMHLIWOFL-VIFPVBQESA-N -1 1 367.866 2.180 20 0 FEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821040928 606895377 /nfs/dbraw/zinc/89/53/77/606895377.db2.gz VNLMFBZQBSBGMI-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM C=CC(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000819730162 606912446 /nfs/dbraw/zinc/91/24/46/606912446.db2.gz RJDZZWCIGNKDFU-UHFFFAOYSA-N -1 1 358.358 2.444 20 0 FEADMM C=CC(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000819730162 606912449 /nfs/dbraw/zinc/91/24/49/606912449.db2.gz RJDZZWCIGNKDFU-UHFFFAOYSA-N -1 1 358.358 2.444 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(C3CCCC3)n2)n1 ZINC000819971842 606958316 /nfs/dbraw/zinc/95/83/16/606958316.db2.gz UGCDJBKCEAVDRQ-UHFFFAOYSA-N -1 1 369.433 2.382 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(C3CCCC3)n2)n1 ZINC000819971842 606958318 /nfs/dbraw/zinc/95/83/18/606958318.db2.gz UGCDJBKCEAVDRQ-UHFFFAOYSA-N -1 1 369.433 2.382 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cn1 ZINC000822345874 607104911 /nfs/dbraw/zinc/10/49/11/607104911.db2.gz VIEVXYHEPQNWSS-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1ccccc1-n1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cn1 ZINC000822345874 607104913 /nfs/dbraw/zinc/10/49/13/607104913.db2.gz VIEVXYHEPQNWSS-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)Cc2ccco2)c1-c1nn[n-]n1 ZINC000822486392 607115322 /nfs/dbraw/zinc/11/53/22/607115322.db2.gz IJMKFJYEUWIXBB-UHFFFAOYSA-N -1 1 364.365 2.240 20 0 FEADMM CC=C(C=CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC ZINC000820831744 607119529 /nfs/dbraw/zinc/11/95/29/607119529.db2.gz BYDPDDFYJSUOSX-FUSVFIKZSA-N -1 1 359.386 2.471 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC2(CC(F)C2)C1 ZINC000826340508 607807271 /nfs/dbraw/zinc/80/72/71/607807271.db2.gz ASMXNLGTXAHMGV-UHFFFAOYSA-N -1 1 356.361 2.133 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC2(CC(F)C2)C1 ZINC000826340508 607807272 /nfs/dbraw/zinc/80/72/72/607807272.db2.gz ASMXNLGTXAHMGV-UHFFFAOYSA-N -1 1 356.361 2.133 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826219143 607864464 /nfs/dbraw/zinc/86/44/64/607864464.db2.gz UNNCFYSIWNWEOT-NSHDSACASA-N -1 1 371.372 2.271 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826219143 607864465 /nfs/dbraw/zinc/86/44/65/607864465.db2.gz UNNCFYSIWNWEOT-NSHDSACASA-N -1 1 371.372 2.271 20 0 FEADMM CC1=CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000824860199 607906338 /nfs/dbraw/zinc/90/63/38/607906338.db2.gz SOYRTXHXPSZTGV-UHFFFAOYSA-N -1 1 373.360 2.226 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccn1Cc1ccncc1 ZINC000826451032 607997632 /nfs/dbraw/zinc/99/76/32/607997632.db2.gz NBBBHYFYEVMDOM-UHFFFAOYSA-N -1 1 361.365 2.069 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1sccc1OC(F)F ZINC000826451484 607997810 /nfs/dbraw/zinc/99/78/10/607997810.db2.gz IRXBSYAMDQRMHZ-UHFFFAOYSA-N -1 1 353.310 2.488 20 0 FEADMM Cc1oc(NC(=O)CN(Cc2cccnc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826341980 608079576 /nfs/dbraw/zinc/07/95/76/608079576.db2.gz VCDXWBRJLDVANE-UHFFFAOYSA-N -1 1 367.413 2.075 20 0 FEADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826492829 608095366 /nfs/dbraw/zinc/09/53/66/608095366.db2.gz GQHRQWWGSHDGAF-UHFFFAOYSA-N -1 1 351.775 2.027 20 0 FEADMM O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492775 608101291 /nfs/dbraw/zinc/10/12/91/608101291.db2.gz CJSXZCYAHOCDTN-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492775 608101292 /nfs/dbraw/zinc/10/12/92/608101292.db2.gz CJSXZCYAHOCDTN-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM COc1cc(NCc2ccc(-c3nnn[n-]3)o2)ncc1Br ZINC000826180391 608101827 /nfs/dbraw/zinc/10/18/27/608101827.db2.gz FNTISEHJPXVUTA-UHFFFAOYSA-N -1 1 351.164 2.238 20 0 FEADMM COc1cc(NCc2ccc(-c3nn[n-]n3)o2)ncc1Br ZINC000826180391 608101828 /nfs/dbraw/zinc/10/18/28/608101828.db2.gz FNTISEHJPXVUTA-UHFFFAOYSA-N -1 1 351.164 2.238 20 0 FEADMM CC(C)(C)C[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824087493 608147589 /nfs/dbraw/zinc/14/75/89/608147589.db2.gz VTIFRYYJSVFUAQ-AWEZNQCLSA-N -1 1 371.420 2.496 20 0 FEADMM CC(C)(C)C[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824087493 608147590 /nfs/dbraw/zinc/14/75/90/608147590.db2.gz VTIFRYYJSVFUAQ-AWEZNQCLSA-N -1 1 371.420 2.496 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)n1 ZINC000826356822 608160867 /nfs/dbraw/zinc/16/08/67/608160867.db2.gz HLMZHCLIKAAUDU-UHFFFAOYSA-N -1 1 357.805 2.215 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)n1 ZINC000826356822 608160868 /nfs/dbraw/zinc/16/08/68/608160868.db2.gz HLMZHCLIKAAUDU-UHFFFAOYSA-N -1 1 357.805 2.215 20 0 FEADMM CS(=O)(=O)c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826224190 608177028 /nfs/dbraw/zinc/17/70/28/608177028.db2.gz SSMPKFLBSMSNSG-UHFFFAOYSA-N -1 1 357.804 2.172 20 0 FEADMM CCCN1C(=O)CCc2cc(Nc3ccc(-c4nnn[n-]4)nn3)ccc21 ZINC000825327349 608297885 /nfs/dbraw/zinc/29/78/85/608297885.db2.gz JGRYLZFWKYBUBO-UHFFFAOYSA-N -1 1 350.386 2.090 20 0 FEADMM CCCN1C(=O)CCc2cc(Nc3ccc(-c4nn[n-]n4)nn3)ccc21 ZINC000825327349 608297888 /nfs/dbraw/zinc/29/78/88/608297888.db2.gz JGRYLZFWKYBUBO-UHFFFAOYSA-N -1 1 350.386 2.090 20 0 FEADMM Cc1nn(-c2ccccc2)c(CN(C)Cc2nccs2)c1-c1nn[n-]n1 ZINC000826332340 608316131 /nfs/dbraw/zinc/31/61/31/608316131.db2.gz QWXQBLSWPQKLAU-UHFFFAOYSA-N -1 1 366.454 2.449 20 0 FEADMM CC(C)(C)c1cc(NC(=O)CCN2CCCC2=O)c(-c2nnn[n-]2)s1 ZINC000824131207 608346116 /nfs/dbraw/zinc/34/61/16/608346116.db2.gz XIEZAQFALLQFGV-UHFFFAOYSA-N -1 1 362.459 2.177 20 0 FEADMM CC(C)(C)c1cc(NC(=O)CCN2CCCC2=O)c(-c2nn[n-]n2)s1 ZINC000824131207 608346118 /nfs/dbraw/zinc/34/61/18/608346118.db2.gz XIEZAQFALLQFGV-UHFFFAOYSA-N -1 1 362.459 2.177 20 0 FEADMM CCN(Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825434790 608406783 /nfs/dbraw/zinc/40/67/83/608406783.db2.gz FGKJPNPLILGYNF-UHFFFAOYSA-N -1 1 360.219 2.446 20 0 FEADMM CCN(Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825434790 608406785 /nfs/dbraw/zinc/40/67/85/608406785.db2.gz FGKJPNPLILGYNF-UHFFFAOYSA-N -1 1 360.219 2.446 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826268619 608420463 /nfs/dbraw/zinc/42/04/63/608420463.db2.gz GKDRBKFNMYTNBA-ZDUSSCGKSA-N -1 1 354.393 2.185 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826268619 608420464 /nfs/dbraw/zinc/42/04/64/608420464.db2.gz GKDRBKFNMYTNBA-ZDUSSCGKSA-N -1 1 354.393 2.185 20 0 FEADMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)CO2)c1 ZINC000826284730 608429711 /nfs/dbraw/zinc/42/97/11/608429711.db2.gz CTPHDXSKPFRJBB-CZUORRHYSA-N -1 1 351.414 2.240 20 0 FEADMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)CO2)c1 ZINC000826284730 608429712 /nfs/dbraw/zinc/42/97/12/608429712.db2.gz CTPHDXSKPFRJBB-CZUORRHYSA-N -1 1 351.414 2.240 20 0 FEADMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)CO2)c1 ZINC000826284728 608429891 /nfs/dbraw/zinc/42/98/91/608429891.db2.gz CTPHDXSKPFRJBB-BBRMVZONSA-N -1 1 351.414 2.240 20 0 FEADMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)CO2)c1 ZINC000826284728 608429892 /nfs/dbraw/zinc/42/98/92/608429892.db2.gz CTPHDXSKPFRJBB-BBRMVZONSA-N -1 1 351.414 2.240 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000825923461 608556789 /nfs/dbraw/zinc/55/67/89/608556789.db2.gz IPTHFISGXQAOLX-LBPRGKRZSA-N -1 1 374.493 2.170 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000825923461 608556791 /nfs/dbraw/zinc/55/67/91/608556791.db2.gz IPTHFISGXQAOLX-LBPRGKRZSA-N -1 1 374.493 2.170 20 0 FEADMM CC(C)Cn1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000824284322 608568259 /nfs/dbraw/zinc/56/82/59/608568259.db2.gz DOWPNQBSNXHAOR-UHFFFAOYSA-N -1 1 367.413 2.349 20 0 FEADMM CC(C)Cn1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000824284322 608568261 /nfs/dbraw/zinc/56/82/61/608568261.db2.gz DOWPNQBSNXHAOR-UHFFFAOYSA-N -1 1 367.413 2.349 20 0 FEADMM CCCCCC(=O)Nc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000825266749 608891738 /nfs/dbraw/zinc/89/17/38/608891738.db2.gz HBTOCNIZZXDIGD-UHFFFAOYSA-N -1 1 367.413 2.465 20 0 FEADMM CCCCCC(=O)Nc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000825266749 608891739 /nfs/dbraw/zinc/89/17/39/608891739.db2.gz HBTOCNIZZXDIGD-UHFFFAOYSA-N -1 1 367.413 2.465 20 0 FEADMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[n-]c(=O)c1C ZINC000826327429 609182466 /nfs/dbraw/zinc/18/24/66/609182466.db2.gz HFMMTXOQQHCHGD-JTQLQIEISA-N -1 1 371.426 2.098 20 0 FEADMM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826430870 609234930 /nfs/dbraw/zinc/23/49/30/609234930.db2.gz LXYLRAAVOMFVBB-ZDUSSCGKSA-N -1 1 354.345 2.045 20 0 FEADMM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826430870 609234931 /nfs/dbraw/zinc/23/49/31/609234931.db2.gz LXYLRAAVOMFVBB-ZDUSSCGKSA-N -1 1 354.345 2.045 20 0 FEADMM O=C(Oc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826468340 609252515 /nfs/dbraw/zinc/25/25/15/609252515.db2.gz MFZLVICUMGITPC-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM O=C(Oc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826468340 609252517 /nfs/dbraw/zinc/25/25/17/609252517.db2.gz MFZLVICUMGITPC-UHFFFAOYSA-N -1 1 364.134 2.383 20 0 FEADMM CCOc1cc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1O ZINC000825615760 609256206 /nfs/dbraw/zinc/25/62/06/609256206.db2.gz JMYRKMIKYXEMDO-YWEYNIOJSA-N -1 1 367.365 2.329 20 0 FEADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1[C@H](C)C1CC1 ZINC000826260644 609261925 /nfs/dbraw/zinc/26/19/25/609261925.db2.gz YQVIIIUULWKVOH-SNVBAGLBSA-N -1 1 353.386 2.301 20 0 FEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3nn[nH]n3)cc1C)OCO2 ZINC000826273094 609274424 /nfs/dbraw/zinc/27/44/24/609274424.db2.gz PFFGBFGVPSXBKH-UHFFFAOYSA-N -1 1 373.394 2.013 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(F)(F)C(F)F ZINC000826458072 609289557 /nfs/dbraw/zinc/28/95/57/609289557.db2.gz BFYTWNBOOZPDSX-UHFFFAOYSA-N -1 1 373.245 2.030 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCSCC1 ZINC000826458537 609290116 /nfs/dbraw/zinc/29/01/16/609290116.db2.gz UKNDLJJBSBMICU-UHFFFAOYSA-N -1 1 373.417 2.273 20 0 FEADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000826493103 609342165 /nfs/dbraw/zinc/34/21/65/609342165.db2.gz UAXICEAHIHVHLY-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM O=C1NCCN1Cc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826482686 609494062 /nfs/dbraw/zinc/49/40/62/609494062.db2.gz NPRJIMCOACMPTA-UHFFFAOYSA-N -1 1 355.427 2.066 20 0 FEADMM COCC[C@H](Cc1ccco1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826154779 609588376 /nfs/dbraw/zinc/58/83/76/609588376.db2.gz XVWAOXZGJPCZAW-GFCCVEGCSA-N -1 1 365.397 2.463 20 0 FEADMM COCC[C@H](Cc1ccco1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826154779 609588379 /nfs/dbraw/zinc/58/83/79/609588379.db2.gz XVWAOXZGJPCZAW-GFCCVEGCSA-N -1 1 365.397 2.463 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1noc(C)n1 ZINC000811094598 674578466 /nfs/dbraw/zinc/57/84/66/674578466.db2.gz MBJCLBVELMCJOZ-SNVBAGLBSA-N -1 1 353.400 2.448 20 0 FEADMM Cc1nc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000811862791 674634111 /nfs/dbraw/zinc/63/41/11/674634111.db2.gz YFCKZASKQTWGMZ-SNVBAGLBSA-N -1 1 364.393 2.052 20 0 FEADMM Cc1ccc(CCNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000811859600 674634149 /nfs/dbraw/zinc/63/41/49/674634149.db2.gz VCXMMHQISYVKIS-LBPRGKRZSA-N -1 1 361.364 2.231 20 0 FEADMM O=C1c2ccccc2C(=O)N1CCCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000561193159 674645295 /nfs/dbraw/zinc/64/52/95/674645295.db2.gz HCOBVGQKIFOEBG-UHFFFAOYSA-N -1 1 370.356 2.467 20 0 FEADMM Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000813283030 674733645 /nfs/dbraw/zinc/73/36/45/674733645.db2.gz HGBLZXVPGATKTN-UZYOAWRESA-N -1 1 355.360 2.320 20 0 FEADMM CCCN(CCC)S(=O)(=O)[N-]c1ccn(CCc2ccncc2)n1 ZINC000562306821 674739514 /nfs/dbraw/zinc/73/95/14/674739514.db2.gz XCALFTPDRBNJIS-UHFFFAOYSA-N -1 1 351.476 2.300 20 0 FEADMM Cn1nccc1N1CCC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000562547044 674768326 /nfs/dbraw/zinc/76/83/26/674768326.db2.gz PSXXHURQOMNEDW-AWEZNQCLSA-N -1 1 360.439 2.114 20 0 FEADMM Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000562733115 674797396 /nfs/dbraw/zinc/79/73/96/674797396.db2.gz PAKUSVFTGVCSJL-JOYOIKCWSA-N -1 1 361.876 2.334 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2nn(C)cc2Br)c1 ZINC000814598069 674867848 /nfs/dbraw/zinc/86/78/48/674867848.db2.gz DGDHMIDFMOMJHT-UHFFFAOYSA-N -1 1 367.199 2.490 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2nccs2)o1 ZINC000563641815 674921615 /nfs/dbraw/zinc/92/16/15/674921615.db2.gz KVKJKEDMDWGISZ-UHFFFAOYSA-N -1 1 371.484 2.176 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(C(C)C)nc2C)o1 ZINC000815189609 674927908 /nfs/dbraw/zinc/92/79/08/674927908.db2.gz LGZPGUVSGMOFKK-UHFFFAOYSA-N -1 1 352.412 2.372 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)[C@H]2C1 ZINC000564093018 674973022 /nfs/dbraw/zinc/97/30/22/674973022.db2.gz BYXOZVURWAMKFL-HUBLWGQQSA-N -1 1 374.865 2.404 20 0 FEADMM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCc1cn[nH]n1 ZINC000816112817 675016082 /nfs/dbraw/zinc/01/60/82/675016082.db2.gz CXOAOIUTYVPWRK-QGZVFWFLSA-N -1 1 364.471 2.361 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)c1 ZINC000564550252 675034734 /nfs/dbraw/zinc/03/47/34/675034734.db2.gz KWLNRPWZLCVTSU-UHFFFAOYSA-N -1 1 353.371 2.351 20 0 FEADMM C[C@](N)(C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000564576257 675040352 /nfs/dbraw/zinc/04/03/52/675040352.db2.gz LWRJVXFRHHPVOD-BDJLRTHQSA-N -1 1 369.259 2.336 20 0 FEADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000022409746 670040476 /nfs/dbraw/zinc/04/04/76/670040476.db2.gz HEZQRIKSZJRSDW-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1F ZINC000024461720 670055308 /nfs/dbraw/zinc/05/53/08/670055308.db2.gz WKSLRYXRGWUJBC-UHFFFAOYSA-N -1 1 372.368 2.121 20 0 FEADMM O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000041657299 670148634 /nfs/dbraw/zinc/14/86/34/670148634.db2.gz BOHUNIZSRRKGEL-UHFFFAOYSA-N -1 1 353.827 2.390 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCCCSc2ccc(F)cc2)n1 ZINC000043140608 670172999 /nfs/dbraw/zinc/17/29/99/670172999.db2.gz SPQQMNNFEGZYBE-UHFFFAOYSA-N -1 1 351.407 2.433 20 0 FEADMM COc1ccc(NC(=O)COc2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000044035937 670182949 /nfs/dbraw/zinc/18/29/49/670182949.db2.gz MSBOAJWMCYQZGE-UHFFFAOYSA-N -1 1 364.423 2.393 20 0 FEADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000565024691 675087506 /nfs/dbraw/zinc/08/75/06/675087506.db2.gz MRRUCKBSJOWPER-LLVKDONJSA-N -1 1 374.666 2.137 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)c(F)c1 ZINC000047313100 670239646 /nfs/dbraw/zinc/23/96/46/670239646.db2.gz HKQOSAPHTSRYAX-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(C)nc2Cl)cc1 ZINC000051436520 670296123 /nfs/dbraw/zinc/29/61/23/670296123.db2.gz AYBNMFJBKGIIRI-UHFFFAOYSA-N -1 1 362.769 2.165 20 0 FEADMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)cc1 ZINC000055609602 670352793 /nfs/dbraw/zinc/35/27/93/670352793.db2.gz SSDLLTLFPSDPAP-UHFFFAOYSA-N -1 1 357.391 2.311 20 0 FEADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000055637668 670353178 /nfs/dbraw/zinc/35/31/78/670353178.db2.gz OPFUURKCAZRIIC-UHFFFAOYSA-N -1 1 363.351 2.100 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 ZINC000060554463 670386488 /nfs/dbraw/zinc/38/64/88/670386488.db2.gz WXBXEBGTKZNEBO-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM COCCN1C(=O)C(=CNc2cccc3ccccc32)C(=O)[N-]C1=S ZINC000060861090 670390155 /nfs/dbraw/zinc/39/01/55/670390155.db2.gz JSBAPLRBRJVCHB-KAMYIIQDSA-N -1 1 355.419 2.025 20 0 FEADMM CC(C)CCc1noc(COC(=O)c2sccc2[N-]S(C)(=O)=O)n1 ZINC000063977003 670414585 /nfs/dbraw/zinc/41/45/85/670414585.db2.gz PADVVPUYSQVCQE-UHFFFAOYSA-N -1 1 373.456 2.448 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n[n-]c1=S ZINC000067074980 670452892 /nfs/dbraw/zinc/45/28/92/670452892.db2.gz NNFOUGLONKBMFV-OLZOCXBDSA-N -1 1 356.492 2.154 20 0 FEADMM CN(C)C(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000073688494 670505794 /nfs/dbraw/zinc/50/57/94/670505794.db2.gz LUOCHWMTBFEVPR-UHFFFAOYSA-N -1 1 354.378 2.145 20 0 FEADMM C[C@H](C[S@@](C)=O)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000565335753 675112583 /nfs/dbraw/zinc/11/25/83/675112583.db2.gz GYBVFOSTKLRMEV-IJSAXESFSA-N -1 1 371.256 2.200 20 0 FEADMM C[C@@]1(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)CC1(F)F ZINC000817249180 675113532 /nfs/dbraw/zinc/11/35/32/675113532.db2.gz QBAGFGFLPDGRSB-AWEZNQCLSA-N -1 1 363.263 2.133 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000565366296 675115196 /nfs/dbraw/zinc/11/51/96/675115196.db2.gz CHABTDFSMWRBPL-BJOHPYRUSA-N -1 1 372.874 2.108 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000079892228 670612413 /nfs/dbraw/zinc/61/24/13/670612413.db2.gz WWDADORYKBWRTE-RDDDGLTNSA-N -1 1 360.266 2.387 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CCCN1c1cccnc1 ZINC000569900006 670630114 /nfs/dbraw/zinc/63/01/14/670630114.db2.gz YGJKZOJHNRHXKD-LBPRGKRZSA-N -1 1 371.871 2.270 20 0 FEADMM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000081064477 670637337 /nfs/dbraw/zinc/63/73/37/670637337.db2.gz IHBGNPOQWYIPIE-UHFFFAOYSA-N -1 1 355.243 2.399 20 0 FEADMM Cc1n[nH]c(C)c1CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000089246694 670696373 /nfs/dbraw/zinc/69/63/73/670696373.db2.gz KSSXCSMOQSYDPT-UHFFFAOYSA-N -1 1 369.443 2.096 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000092507509 670740519 /nfs/dbraw/zinc/74/05/19/670740519.db2.gz UEYCQJNJVLSGOW-NXEZZACHSA-N -1 1 363.336 2.282 20 0 FEADMM Cn1ccc(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC000817491238 675138599 /nfs/dbraw/zinc/13/85/99/675138599.db2.gz WXYFFWYRCFSQJV-CYBMUJFWSA-N -1 1 351.328 2.275 20 0 FEADMM CC(C)(C)C(=O)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817492365 675138670 /nfs/dbraw/zinc/13/86/70/675138670.db2.gz HYDJHTBFUFYRDT-NSHDSACASA-N -1 1 356.344 2.238 20 0 FEADMM CCOC(=O)[C@@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817557825 675146656 /nfs/dbraw/zinc/14/66/56/675146656.db2.gz QOOJAZMWRIHVMW-SNVBAGLBSA-N -1 1 356.152 2.125 20 0 FEADMM O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3c[n-]cn3)cc2o1 ZINC000114212060 670889994 /nfs/dbraw/zinc/88/99/94/670889994.db2.gz RFPNCJKUJKDWCM-UHFFFAOYSA-N -1 1 360.269 2.303 20 0 FEADMM CO[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[C@@H](C(=O)[O-])C1 ZINC000572060721 670957077 /nfs/dbraw/zinc/95/70/77/670957077.db2.gz SERBLVFLYGRXBD-IUODEOHRSA-N -1 1 363.801 2.434 20 0 FEADMM CC(C)(C)[C@@H](O)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817675688 675160276 /nfs/dbraw/zinc/16/02/76/675160276.db2.gz VIRNNXAPCKQCDD-AAEUAGOBSA-N -1 1 358.360 2.030 20 0 FEADMM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000573222592 671096475 /nfs/dbraw/zinc/09/64/75/671096475.db2.gz XICQKIONSOYMOQ-VHSXEESVSA-N -1 1 359.753 2.051 20 0 FEADMM O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(C(F)(F)F)ccc1[O-] ZINC000573654240 671147453 /nfs/dbraw/zinc/14/74/53/671147453.db2.gz WAHFAABBFSCCGP-UHFFFAOYSA-N -1 1 364.389 2.316 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CC1)c1cccc(C)c1C ZINC000574153626 671208400 /nfs/dbraw/zinc/20/84/00/671208400.db2.gz BIKFSBIWWRGYRP-DLBZAZTESA-N -1 1 369.483 2.252 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H](C)C(F)(F)F)n[n-]1 ZINC000574287074 671222886 /nfs/dbraw/zinc/22/28/86/671222886.db2.gz WBURZIOZDRILHV-RKDXNWHRSA-N -1 1 350.341 2.383 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H](C)C(F)(F)F)[n-]1 ZINC000574287074 671222888 /nfs/dbraw/zinc/22/28/88/671222888.db2.gz WBURZIOZDRILHV-RKDXNWHRSA-N -1 1 350.341 2.383 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H](C)C(F)(F)F)n1 ZINC000574287074 671222890 /nfs/dbraw/zinc/22/28/90/671222890.db2.gz WBURZIOZDRILHV-RKDXNWHRSA-N -1 1 350.341 2.383 20 0 FEADMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000574500684 671247087 /nfs/dbraw/zinc/24/70/87/671247087.db2.gz FWWQCJHBFLGYGB-JKSUJKDBSA-N -1 1 351.449 2.388 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2CCC[C@@H](F)C2)ccc1[N-]S(C)(=O)=O ZINC000575985994 671336151 /nfs/dbraw/zinc/33/61/51/671336151.db2.gz JQYMFKAWCLGACQ-GHMZBOCLSA-N -1 1 359.423 2.469 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)cc1)C1CC1 ZINC000566229405 675196227 /nfs/dbraw/zinc/19/62/27/675196227.db2.gz AFNSFXMPMHBOAS-INIZCTEOSA-N -1 1 354.472 2.239 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3nc(C)ncc3C2)c(F)c1 ZINC000576631215 671382937 /nfs/dbraw/zinc/38/29/37/671382937.db2.gz SGLZRQWTNVQFIQ-GFCCVEGCSA-N -1 1 353.394 2.207 20 0 FEADMM O=C([O-])[C@H]1CSCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000576839197 671398860 /nfs/dbraw/zinc/39/88/60/671398860.db2.gz UNNPTXZFHOTNNK-LLVKDONJSA-N -1 1 356.245 2.327 20 0 FEADMM CN(CCSCc1ccccc1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000576998892 671410129 /nfs/dbraw/zinc/41/01/29/671410129.db2.gz PHUKKNCABPJBBI-UHFFFAOYSA-N -1 1 350.484 2.175 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)o1 ZINC000609353357 675919828 /nfs/dbraw/zinc/91/98/28/675919828.db2.gz YSBHIWDDETUTDD-GFCCVEGCSA-N -1 1 351.380 2.095 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)[C@H](C)C(=O)NC3CCCC3)n2)cc1 ZINC000578112514 671640964 /nfs/dbraw/zinc/64/09/64/671640964.db2.gz URKKWEFQCFAVSN-GFCCVEGCSA-N -1 1 362.455 2.001 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)NC3CCCC3)n[n-]2)cc1 ZINC000578112514 671640967 /nfs/dbraw/zinc/64/09/67/671640967.db2.gz URKKWEFQCFAVSN-GFCCVEGCSA-N -1 1 362.455 2.001 20 0 FEADMM COCc1ccccc1CS(=O)(=O)[N-]c1nc(SC(C)C)n[nH]1 ZINC000578465993 671667432 /nfs/dbraw/zinc/66/74/32/671667432.db2.gz JPBROYCLPHKCEE-UHFFFAOYSA-N -1 1 356.473 2.394 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1C ZINC000578746892 671686994 /nfs/dbraw/zinc/68/69/94/671686994.db2.gz HRLBRAZFFBZSGQ-UHFFFAOYSA-N -1 1 366.443 2.207 20 0 FEADMM C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000580279610 671794323 /nfs/dbraw/zinc/79/43/23/671794323.db2.gz BKABDMMNTRKFRW-ABAIWWIYSA-N -1 1 360.845 2.444 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCc1ccccc1)C1CCCCC1 ZINC000580993451 671853467 /nfs/dbraw/zinc/85/34/67/671853467.db2.gz UCYSFLOVMAJNHE-KRWDZBQOSA-N -1 1 369.483 2.245 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@H]1C(=O)[O-] ZINC000581310889 671883783 /nfs/dbraw/zinc/88/37/83/671883783.db2.gz SAAZLLMFBMMNPN-WCBMZHEXSA-N -1 1 367.345 2.142 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C(C)(C)C)cc2)c1Cl ZINC000120099255 671916733 /nfs/dbraw/zinc/91/67/33/671916733.db2.gz SKZBLONKXRVFKE-ZDUSSCGKSA-N -1 1 371.890 2.383 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)c1ccccc1 ZINC000581667081 671923396 /nfs/dbraw/zinc/92/33/96/671923396.db2.gz OUHNMPGJDARWSC-GFCCVEGCSA-N -1 1 374.260 2.312 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 ZINC000120836176 671936540 /nfs/dbraw/zinc/93/65/40/671936540.db2.gz CRWUOXIWNSYBOW-PWSUYJOCSA-N -1 1 360.464 2.307 20 0 FEADMM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)s1 ZINC000121004235 671940201 /nfs/dbraw/zinc/94/02/01/671940201.db2.gz PUPFIMPUHKNEOC-SECBINFHSA-N -1 1 358.441 2.433 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)co1 ZINC000121276758 671945967 /nfs/dbraw/zinc/94/59/67/671945967.db2.gz UUGUCENZCUVJAJ-UHFFFAOYSA-N -1 1 367.402 2.179 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000121728528 671955869 /nfs/dbraw/zinc/95/58/69/671955869.db2.gz SLVGNVJPLLCHMM-TZMCWYRMSA-N -1 1 370.471 2.044 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ncc(C4CC4)o3)n2)cc1 ZINC000582586233 672015430 /nfs/dbraw/zinc/01/54/30/672015430.db2.gz FSWPNZPHEBTIMW-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3ncc(C4CC4)o3)n[n-]2)cc1 ZINC000582586233 672015432 /nfs/dbraw/zinc/01/54/32/672015432.db2.gz FSWPNZPHEBTIMW-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1)N1CCCCC1 ZINC000126016569 672019226 /nfs/dbraw/zinc/01/92/26/672019226.db2.gz CKJGJXDFXSDLNX-CQSZACIVSA-N -1 1 359.879 2.050 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2)N1CCCCC1 ZINC000126239957 672022089 /nfs/dbraw/zinc/02/20/89/672022089.db2.gz WSBPXANAIAQKJU-QGZVFWFLSA-N -1 1 366.483 2.032 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1-n1nc(C)nc1C)C1CC1 ZINC000582845299 672039383 /nfs/dbraw/zinc/03/93/83/672039383.db2.gz OMOOJWDYLKXGIE-INIZCTEOSA-N -1 1 350.444 2.051 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NC(C)(C)C)cc1)C1CC1 ZINC000582904272 672045370 /nfs/dbraw/zinc/04/53/70/672045370.db2.gz JMVIPPXKUZOMOM-OAHLLOKOSA-N -1 1 354.472 2.382 20 0 FEADMM O=C(/C=C/c1ccc(I)o1)[N-]O[C@@H]1CCCCO1 ZINC000128232634 672046972 /nfs/dbraw/zinc/04/69/72/672046972.db2.gz MAAKKOQONWMLQN-HOSRBBHYSA-N -1 1 363.151 2.472 20 0 FEADMM Cc1cc(Br)cc2c(C(=O)NC3(c4nn[n-]n4)CC3)coc21 ZINC000582939422 672048098 /nfs/dbraw/zinc/04/80/98/672048098.db2.gz JLWGJYSJMRBTKP-UHFFFAOYSA-N -1 1 362.187 2.436 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000582964511 672050576 /nfs/dbraw/zinc/05/05/76/672050576.db2.gz RUTOQPMDZYZBNV-OBJOEFQTSA-N -1 1 350.415 2.073 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000583682226 672116861 /nfs/dbraw/zinc/11/68/61/672116861.db2.gz LXTKRTFIDMGFED-OIBJUYFYSA-N -1 1 370.192 2.489 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ncccc2C)o1 ZINC000583781477 672125641 /nfs/dbraw/zinc/12/56/41/672125641.db2.gz LFJGLVWEPJFRAM-UHFFFAOYSA-N -1 1 366.439 2.416 20 0 FEADMM N#Cc1cnn(C(=O)Cn2c(-c3ccc(Cl)cc3)n[n-]c2=S)c1N ZINC000139462527 672146564 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CN1C(=O)COc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000174775691 672363094 /nfs/dbraw/zinc/36/30/94/672363094.db2.gz VZTAXFJUDNTRCI-UHFFFAOYSA-N -1 1 352.799 2.496 20 0 FEADMM COCc1ccsc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccccc1F ZINC000179876914 672406743 /nfs/dbraw/zinc/40/67/43/672406743.db2.gz HETCAXLTEWIAPJ-SNVBAGLBSA-N -1 1 352.387 2.262 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(F)(F)C(F)F ZINC000180763456 672417785 /nfs/dbraw/zinc/41/77/85/672417785.db2.gz AYPMTDYVEGBTEX-UHFFFAOYSA-N -1 1 370.324 2.016 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000181093802 672421939 /nfs/dbraw/zinc/42/19/39/672421939.db2.gz RAKHQDQLBXBDNQ-HNNXBMFYSA-N -1 1 370.377 2.399 20 0 FEADMM CCOC(=O)CC[C@H]1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000611043631 676013658 /nfs/dbraw/zinc/01/36/58/676013658.db2.gz TUYQVOOWNPHWDJ-GFCCVEGCSA-N -1 1 367.471 2.408 20 0 FEADMM Cc1nn(C)c2c1N(C(=O)c1cc(Br)ccc1[O-])CCO2 ZINC000678933074 672454753 /nfs/dbraw/zinc/45/47/53/672454753.db2.gz 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672507469 /nfs/dbraw/zinc/50/74/69/672507469.db2.gz CFMZPCYOZWIRBF-UHFFFAOYSA-N -1 1 364.764 2.353 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)c(Cl)c1 ZINC000589434078 672525428 /nfs/dbraw/zinc/52/54/28/672525428.db2.gz DVEAJUZTZSDZJT-UHFFFAOYSA-N -1 1 368.842 2.171 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000589436742 672525946 /nfs/dbraw/zinc/52/59/46/672525946.db2.gz VKSCAHSVAHGBPT-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000185923690 672537367 /nfs/dbraw/zinc/53/73/67/672537367.db2.gz LRAGIOCDIPEGQJ-UHFFFAOYSA-N -1 1 369.668 2.391 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c(C)c1F ZINC000679924503 672537160 /nfs/dbraw/zinc/53/71/60/672537160.db2.gz IEMITZIVMSRIBV-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)CCO2 ZINC000186652173 672551852 /nfs/dbraw/zinc/55/18/52/672551852.db2.gz HQPZBHYGDZGONW-CQSZACIVSA-N -1 1 352.412 2.492 20 0 FEADMM CCOC(=O)N1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000186686710 672552402 /nfs/dbraw/zinc/55/24/02/672552402.db2.gz NBKDGWODIFGXCB-JTQLQIEISA-N -1 1 357.204 2.115 20 0 FEADMM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187119178 672562673 /nfs/dbraw/zinc/56/26/73/672562673.db2.gz WRRIXSKPEWIEAZ-LLVKDONJSA-N -1 1 372.164 2.466 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000611332565 676032567 /nfs/dbraw/zinc/03/25/67/676032567.db2.gz BROISXIBJNOOHJ-LLVKDONJSA-N -1 1 367.471 2.264 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cn1 ZINC000680488371 672579081 /nfs/dbraw/zinc/57/90/81/672579081.db2.gz MGZHMHRWUKFAFL-UHFFFAOYSA-N -1 1 350.396 2.442 20 0 FEADMM Cc1ccn(C)c1C(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000189704758 672620630 /nfs/dbraw/zinc/62/06/30/672620630.db2.gz IYKRDMBXPTYMOQ-UHFFFAOYSA-N -1 1 354.179 2.310 20 0 FEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000681020164 672622148 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CCOc1ccc(CN(C)C(=O)CS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000591843534 672715714 /nfs/dbraw/zinc/71/57/14/672715714.db2.gz UJQAHGPEEBZKDQ-UHFFFAOYSA-N -1 1 363.435 2.223 20 0 FEADMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000681993995 672722571 /nfs/dbraw/zinc/72/25/71/672722571.db2.gz HOSKIMFGHHKLMP-HNNXBMFYSA-N -1 1 355.316 2.107 20 0 FEADMM O=C(NC[C@@H](O)c1cc2ccccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193692073 672733197 /nfs/dbraw/zinc/73/31/97/672733197.db2.gz MYLKNCLBQGEVQM-GFCCVEGCSA-N -1 1 359.363 2.374 20 0 FEADMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000592067943 672746185 /nfs/dbraw/zinc/74/61/85/672746185.db2.gz AZOJFIWNLDUPPO-MWLCHTKSSA-N -1 1 368.377 2.357 20 0 FEADMM CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195112769 672775963 /nfs/dbraw/zinc/77/59/63/672775963.db2.gz USGJUQFYKPBYJU-NXEZZACHSA-N -1 1 370.862 2.202 20 0 FEADMM CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195112769 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CC(C)(C)OC(=O)c1cncc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000594581764 673102315 /nfs/dbraw/zinc/10/23/15/673102315.db2.gz CACMMLPQFSRGGI-UHFFFAOYSA-N -1 1 356.444 2.205 20 0 FEADMM CCn1ccc(Cc2noc(CCc3c(C)nc(SC)[n-]c3=O)n2)n1 ZINC000351469851 673141865 /nfs/dbraw/zinc/14/18/65/673141865.db2.gz ZGNTUVIAISRAEE-UHFFFAOYSA-N -1 1 360.443 2.188 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)c1cccc(OC)c1 ZINC000594823465 673153203 /nfs/dbraw/zinc/15/32/03/673153203.db2.gz VCSOCAUIZCYVBF-AWEZNQCLSA-N -1 1 355.437 2.258 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](N2CCOCC2)C1 ZINC000382503972 673156958 /nfs/dbraw/zinc/15/69/58/673156958.db2.gz NGXUBJBMPFWXKK-ZDUSSCGKSA-N -1 1 369.259 2.092 20 0 FEADMM O=S(=O)([N-][C@H](CO)C1CCCC1)c1sccc1Br ZINC000386135181 673157848 /nfs/dbraw/zinc/15/78/48/673157848.db2.gz PKBXAZANQHVLMI-SNVBAGLBSA-N -1 1 354.291 2.340 20 0 FEADMM Cc1nn(C)c(Cl)c1COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000727769996 673181758 /nfs/dbraw/zinc/18/17/58/673181758.db2.gz 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COC(=O)c1oc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)C)C2(C)C)cc1C ZINC000595328791 673225817 /nfs/dbraw/zinc/22/58/17/673225817.db2.gz LPNAXRUQCTYDJX-RYUDHWBXSA-N -1 1 359.444 2.245 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)cc1C ZINC000595341576 673227740 /nfs/dbraw/zinc/22/77/40/673227740.db2.gz WTDBZSKBQIQPEG-UHFFFAOYSA-N -1 1 364.423 2.170 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(Br)c(C)cc1C ZINC000451431682 673236526 /nfs/dbraw/zinc/23/65/26/673236526.db2.gz NSEWMHDKSFIIJE-UHFFFAOYSA-N -1 1 365.231 2.131 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000462675871 673273578 /nfs/dbraw/zinc/27/35/78/673273578.db2.gz IKPBHCFVVHRCBI-SECBINFHSA-N -1 1 366.349 2.449 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(Br)c([O-])c1 ZINC000463131219 673298695 /nfs/dbraw/zinc/29/86/95/673298695.db2.gz YXINZHMKCAYHDN-QMMMGPOBSA-N -1 1 370.121 2.379 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000480989468 673320494 /nfs/dbraw/zinc/32/04/94/673320494.db2.gz YUXNBLWYEKHGDS-SNVBAGLBSA-N -1 1 350.318 2.359 20 0 FEADMM O=[S@@](CC[N-]S(=O)(=O)c1cc(F)ccc1F)Cc1ccccc1 ZINC000731849721 673344875 /nfs/dbraw/zinc/34/48/75/673344875.db2.gz IUIPWZVVDBTCSX-QFIPXVFZSA-N -1 1 359.419 2.192 20 0 FEADMM CO[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000613555049 676133764 /nfs/dbraw/zinc/13/37/64/676133764.db2.gz LDIBGAFOBCNKQB-UONOGXRCSA-N -1 1 367.812 2.403 20 0 FEADMM O=C(C1CCC1)N(CCC[N-]S(=O)(=O)c1cccc(F)c1F)C1CC1 ZINC000596230053 673370029 /nfs/dbraw/zinc/37/00/29/673370029.db2.gz CEJGPXYQZDOVBV-UHFFFAOYSA-N -1 1 372.437 2.424 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)o1 ZINC000537436968 673389834 /nfs/dbraw/zinc/38/98/34/673389834.db2.gz SODMAHLMONESMZ-QWHCGFSZSA-N -1 1 359.444 2.328 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(F)(F)F ZINC000733320714 673409586 /nfs/dbraw/zinc/40/95/86/673409586.db2.gz RZDYRHJMSSXNHZ-LURJTMIESA-N -1 1 353.149 2.244 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000538137574 673423768 /nfs/dbraw/zinc/42/37/68/673423768.db2.gz ONDLALKCICQTIP-UHFFFAOYSA-N -1 1 362.451 2.265 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccccc2CN(C)C)s1 ZINC000733868294 673441486 /nfs/dbraw/zinc/44/14/86/673441486.db2.gz BAHUONYLQKEDBY-UHFFFAOYSA-N -1 1 368.484 2.272 20 0 FEADMM COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2c[n-]cn2)c1 ZINC000733899481 673443209 /nfs/dbraw/zinc/44/32/09/673443209.db2.gz FTWPDBJCTJCKIX-UHFFFAOYSA-N -1 1 358.375 2.417 20 0 FEADMM COc1cc(S(=O)(=O)Nc2ccc(C)cc2O)cc(C(=O)[O-])c1OC ZINC000538843059 673461746 /nfs/dbraw/zinc/46/17/46/673461746.db2.gz GMEMLQFYAOSGLA-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000538951086 673468151 /nfs/dbraw/zinc/46/81/51/673468151.db2.gz DKTZPPVJNFBPJG-CYBMUJFWSA-N -1 1 370.477 2.070 20 0 FEADMM O=C(NCCC1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000539599045 673497780 /nfs/dbraw/zinc/49/77/80/673497780.db2.gz 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ZINC000598692772 673598863 /nfs/dbraw/zinc/59/88/63/673598863.db2.gz BZBLXOSESCPFOR-LBPRGKRZSA-N -1 1 360.439 2.328 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)o1 ZINC000542757534 673602733 /nfs/dbraw/zinc/60/27/33/673602733.db2.gz SWPOZKVBAXWQEL-UHFFFAOYSA-N -1 1 371.798 2.133 20 0 FEADMM COc1ccc(NC(=O)[C@@H](OC)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000542820033 673608734 /nfs/dbraw/zinc/60/87/34/673608734.db2.gz HKIOHOHXWNAPRH-INIZCTEOSA-N -1 1 364.423 2.393 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H](C)SCc3ccccc3)nc2n1 ZINC000598893582 673619403 /nfs/dbraw/zinc/61/94/03/673619403.db2.gz WHVXJLBEZYPAQI-NSHDSACASA-N -1 1 357.439 2.240 20 0 FEADMM CCCCOc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)c1 ZINC000599222177 673643336 /nfs/dbraw/zinc/64/33/36/673643336.db2.gz WHFZLHDYRNUYQZ-UHFFFAOYSA-N -1 1 368.411 2.119 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c1F ZINC000599250780 673648568 /nfs/dbraw/zinc/64/85/68/673648568.db2.gz QOQHYGDBKWBHNB-UHFFFAOYSA-N -1 1 359.394 2.466 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673720858 /nfs/dbraw/zinc/72/08/58/673720858.db2.gz GCPVAYUAHSXDNR-OAHLLOKOSA-N -1 1 365.407 2.178 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cn1 ZINC000544646575 673722608 /nfs/dbraw/zinc/72/26/08/673722608.db2.gz LKHLZNHJGHREBR-OAHLLOKOSA-N -1 1 364.423 2.449 20 0 FEADMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000544665998 673724645 /nfs/dbraw/zinc/72/46/45/673724645.db2.gz JINDPAJXIXGWPH-GFCCVEGCSA-N -1 1 369.409 2.490 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@@H]2CCO[C@H](C)C2)no1 ZINC000545096823 673745034 /nfs/dbraw/zinc/74/50/34/673745034.db2.gz DQWHZYPJMDFDTG-GMTAPVOTSA-N -1 1 357.457 2.453 20 0 FEADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000545119115 673745644 /nfs/dbraw/zinc/74/56/44/673745644.db2.gz BVFFYXVLCDCDSP-HSZRJFAPSA-N -1 1 366.420 2.213 20 0 FEADMM CCOc1cc(C(=O)NCc2nnc(C3CC3)n2C)cc(Cl)c1[O-] ZINC000545141055 673746550 /nfs/dbraw/zinc/74/65/50/673746550.db2.gz CHHPTMMNVGBKGF-UHFFFAOYSA-N -1 1 350.806 2.380 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CC[C@](C)([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000548474552 673961875 /nfs/dbraw/zinc/96/18/75/673961875.db2.gz DUDHPWRMQNVOSL-LBPRGKRZSA-N -1 1 355.382 2.244 20 0 FEADMM CCn1c(SCC(=O)Nc2c(C)[n-][nH]c2=O)nnc1-c1cccs1 ZINC000615226908 676207782 /nfs/dbraw/zinc/20/77/82/676207782.db2.gz MGFACEZLWVJTFY-UHFFFAOYSA-N -1 1 364.456 2.494 20 0 FEADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000566946967 675254753 /nfs/dbraw/zinc/25/47/53/675254753.db2.gz VDAYYZOCLVCTGS-UHFFFAOYSA-N -1 1 358.313 2.105 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1O ZINC000819356945 675284937 /nfs/dbraw/zinc/28/49/37/675284937.db2.gz XROUZTQCWRAHAK-UHFFFAOYSA-N -1 1 358.379 2.153 20 0 FEADMM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000567520182 675299682 /nfs/dbraw/zinc/29/96/82/675299682.db2.gz CIWXRAHODVLPLI-VIFPVBQESA-N -1 1 370.377 2.070 20 0 FEADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccn(C)n3)n2)cc1 ZINC000567783250 675322498 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CCOC(=O)c1n[n-]c(CNC(=O)C(C)(C)Oc2cccc(Cl)c2)n1 ZINC000615919311 676233479 /nfs/dbraw/zinc/23/34/79/676233479.db2.gz DHMMFKMPWGMGBQ-UHFFFAOYSA-N -1 1 366.805 2.109 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](C)Oc2cc(C)ccc2Cl)n[n-]1 ZINC000615916543 676233585 /nfs/dbraw/zinc/23/35/85/676233585.db2.gz CKRJIUSCCXPUCT-JTQLQIEISA-N -1 1 366.805 2.027 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)Oc2cc(C)ccc2Cl)n1 ZINC000615916543 676233588 /nfs/dbraw/zinc/23/35/88/676233588.db2.gz CKRJIUSCCXPUCT-JTQLQIEISA-N -1 1 366.805 2.027 20 0 FEADMM CSc1ccc([O-])c(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c1 ZINC000616303502 676245246 /nfs/dbraw/zinc/24/52/46/676245246.db2.gz YJXMZEGLVIVXFP-UHFFFAOYSA-N -1 1 370.477 2.294 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(OC)c1)c1ccc(F)c(C)c1 ZINC000619497252 676381665 /nfs/dbraw/zinc/38/16/65/676381665.db2.gz YTQQAPSNVMNUEH-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM COc1cc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)cc(Cl)c1[O-] ZINC000620098495 676406302 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O=C(Nc1ccnc(CO)c1)c1cc(I)ccc1[O-] ZINC000765300987 680838926 /nfs/dbraw/zinc/83/89/26/680838926.db2.gz AZNABRYWDDYLDM-UHFFFAOYSA-N -1 1 370.146 2.136 20 0 FEADMM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765480898 680843366 /nfs/dbraw/zinc/84/33/66/680843366.db2.gz LDQNSOBNGMDPAQ-UHFFFAOYSA-N -1 1 366.805 2.103 20 0 FEADMM C/C=C/c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000673488855 679430942 /nfs/dbraw/zinc/43/09/42/679430942.db2.gz GAPHYLNQOLQMDK-HWKANZROSA-N -1 1 366.464 2.429 20 0 FEADMM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000674233091 679477795 /nfs/dbraw/zinc/47/77/95/679477795.db2.gz IFPSNJBBTDOZGR-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nn[n-]n1 ZINC000675144200 679529533 /nfs/dbraw/zinc/52/95/33/679529533.db2.gz JECFAVFYHMMLAU-LBPRGKRZSA-N -1 1 362.821 2.251 20 0 FEADMM C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000676843601 679644179 /nfs/dbraw/zinc/64/41/79/679644179.db2.gz MOWQODIXNZFBFT-CQSZACIVSA-N -1 1 366.483 2.406 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000747618446 679892778 /nfs/dbraw/zinc/89/27/78/679892778.db2.gz VYUGDOITOTYDOG-UHFFFAOYSA-N -1 1 369.255 2.467 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccccc1Cl ZINC000830877073 679892858 /nfs/dbraw/zinc/89/28/58/679892858.db2.gz DMEYVXOBXPGPKH-JTQLQIEISA-N -1 1 350.227 2.383 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(Cl)c(C)c3C2)co1 ZINC000830890981 679893618 /nfs/dbraw/zinc/89/36/18/679893618.db2.gz QHAOIEGCEIVBPK-UHFFFAOYSA-N -1 1 368.842 2.348 20 0 FEADMM O=S(=O)([N-]C1(CCOCc2ccccc2)CC1)c1c[nH]nc1Cl ZINC000830972166 679903844 /nfs/dbraw/zinc/90/38/44/679903844.db2.gz HYAJLYUSRFCSGJ-UHFFFAOYSA-N -1 1 355.847 2.481 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c[nH]nc1Cl ZINC000831042417 679911346 /nfs/dbraw/zinc/91/13/46/679911346.db2.gz FFBZJTFDQNNZMT-SNVBAGLBSA-N -1 1 361.254 2.274 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c[nH]nc1Cl ZINC000831097078 679922554 /nfs/dbraw/zinc/92/25/54/679922554.db2.gz QGMBCCAGMXZZCQ-VXGBXAGGSA-N -1 1 359.810 2.401 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2cc(-c3ccccc3)no2)C1)C(F)(F)F ZINC000831153896 679935319 /nfs/dbraw/zinc/93/53/19/679935319.db2.gz FEVRFELPLKRIBS-UHFFFAOYSA-N -1 1 353.300 2.092 20 0 FEADMM Cc1ccc(C)c(OCCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831162194 679938006 /nfs/dbraw/zinc/93/80/06/679938006.db2.gz DXYJRQBPOVJXPC-UHFFFAOYSA-N -1 1 358.360 2.209 20 0 FEADMM C[C@@H]1[C@@H](NC(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncccc1[O-] ZINC000989850605 680032367 /nfs/dbraw/zinc/03/23/67/680032367.db2.gz IJFRBJSFAIRODN-RISCZKNCSA-N -1 1 359.813 2.474 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@]1(C)CC1(Cl)Cl ZINC000832149299 680102366 /nfs/dbraw/zinc/10/23/66/680102366.db2.gz WDFHTSAUMHCBNM-LBPRGKRZSA-N -1 1 370.229 2.475 20 0 FEADMM CCc1nc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)co1 ZINC000832478856 680138137 /nfs/dbraw/zinc/13/81/37/680138137.db2.gz SLIUHDJLSPQZJZ-UHFFFAOYSA-N -1 1 366.262 2.243 20 0 FEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cccc(C(F)(F)F)c1 ZINC000750955714 680142402 /nfs/dbraw/zinc/14/24/02/680142402.db2.gz ZLYHDSFGOQNCIW-UHFFFAOYSA-N -1 1 364.301 2.291 20 0 FEADMM COC(=O)[C@H](Cc1cncs1)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000832687145 680165538 /nfs/dbraw/zinc/16/55/38/680165538.db2.gz ONZYITMMYZVYHQ-NSHDSACASA-N -1 1 374.340 2.382 20 0 FEADMM Cc1cnccc1/C=C\C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000832904769 680184000 /nfs/dbraw/zinc/18/40/00/680184000.db2.gz YPDQUKSJRLIABS-DSYXLKISSA-N -1 1 355.360 2.320 20 0 FEADMM COC(=O)[C@H](CF)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000935991660 681870943 /nfs/dbraw/zinc/87/09/43/681870943.db2.gz HZBZNYVSIFNHOC-VIFPVBQESA-N -1 1 354.122 2.168 20 0 FEADMM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000751736543 680196856 /nfs/dbraw/zinc/19/68/56/680196856.db2.gz UTOVSTYAMLDOHL-CHWSQXEVSA-N -1 1 353.321 2.134 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)OC2CCCC2)c(F)c1 ZINC000751975849 680214380 /nfs/dbraw/zinc/21/43/80/680214380.db2.gz RDCDXEHHRDGTJD-VIFPVBQESA-N -1 1 363.382 2.126 20 0 FEADMM O=C(Cc1csc(N2CCOCC2)n1)NCc1ccc([O-])c(Cl)c1 ZINC000834824996 680273455 /nfs/dbraw/zinc/27/34/55/680273455.db2.gz FLORJYYLADBFIH-UHFFFAOYSA-N -1 1 367.858 2.198 20 0 FEADMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000834833903 680275212 /nfs/dbraw/zinc/27/52/12/680275212.db2.gz PGMTYBMELUMNNU-WXHSDQCUSA-N -1 1 364.829 2.226 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)Cc1ccsc1 ZINC000984801404 680381180 /nfs/dbraw/zinc/38/11/80/680381180.db2.gz OUGUKIFHOCDUJQ-UONOGXRCSA-N -1 1 359.451 2.201 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2C[C@@H](OCC(C)C)C2(C)C)co1 ZINC000756560790 680485402 /nfs/dbraw/zinc/48/54/02/680485402.db2.gz JBJAUDXHIPQESA-OLZOCXBDSA-N -1 1 359.444 2.184 20 0 FEADMM CC[C@](C)(CO)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836738000 680505262 /nfs/dbraw/zinc/50/52/62/680505262.db2.gz FBVPCLMTAOQNSC-OAHLLOKOSA-N -1 1 361.364 2.456 20 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/nfs/dbraw/zinc/89/88/62/680898862.db2.gz WORPSRQCRGXCCC-RKDXNWHRSA-N -1 1 350.799 2.081 20 0 FEADMM Cc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843016110 680982255 /nfs/dbraw/zinc/98/22/55/680982255.db2.gz OMKWPUQECWPILQ-OAHLLOKOSA-N -1 1 352.500 2.104 20 0 FEADMM CC(C)OCc1ccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843017428 680982739 /nfs/dbraw/zinc/98/27/39/680982739.db2.gz DWUZWNBHSLOEBW-UHFFFAOYSA-N -1 1 368.499 2.156 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCSc3ccccc32)CCC1 ZINC000843018381 680982875 /nfs/dbraw/zinc/98/28/75/680982875.db2.gz OHHHRFISASDSJF-CQSZACIVSA-N -1 1 368.524 2.196 20 0 FEADMM Cc1ccc(SCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c(C)c1 ZINC000843018566 680982933 /nfs/dbraw/zinc/98/29/33/680982933.db2.gz XUGKHIJLJRCUEV-UHFFFAOYSA-N -1 1 370.540 2.326 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCSc2ccc(F)cc2)CCC1 ZINC000843018937 680982960 /nfs/dbraw/zinc/98/29/60/680982960.db2.gz HGDXLQRKIBVCTE-UHFFFAOYSA-N -1 1 374.503 2.238 20 0 FEADMM CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018844 680983016 /nfs/dbraw/zinc/98/30/16/680983016.db2.gz VHMBKNRRDUBOMV-INIZCTEOSA-N -1 1 352.500 2.186 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1F ZINC000769892701 680998914 /nfs/dbraw/zinc/99/89/14/680998914.db2.gz YRVNWMAXLUQMAM-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1ccccc1OC(C)C ZINC000912530672 685393377 /nfs/dbraw/zinc/39/33/77/685393377.db2.gz NFWVEIOREIVZBT-LLVKDONJSA-N -1 1 367.427 2.023 20 0 FEADMM CCOP(=O)(CN(C)C(=O)c1ccc2n[n-]c(=S)n2c1)OCC ZINC000843919253 681025837 /nfs/dbraw/zinc/02/58/37/681025837.db2.gz SNJNGFNQZMHHBE-UHFFFAOYSA-N -1 1 358.360 2.314 20 0 FEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1nc(C2CCC2)ns1 ZINC001050206649 681043569 /nfs/dbraw/zinc/04/35/69/681043569.db2.gz UCYYVOKYOXUYGL-PWSUYJOCSA-N -1 1 359.455 2.303 20 0 FEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000844647567 681070718 /nfs/dbraw/zinc/07/07/18/681070718.db2.gz MAXOMLMPAWZKNO-MRXNPFEDSA-N -1 1 365.455 2.405 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000844811301 681084534 /nfs/dbraw/zinc/08/45/34/681084534.db2.gz JTEWQBKBMUAVBX-HOTGVXAUSA-N -1 1 354.813 2.415 20 0 FEADMM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000773157479 681127922 /nfs/dbraw/zinc/12/79/22/681127922.db2.gz KDCXCJCESZZVBF-SWLSCSKDSA-N -1 1 361.471 2.407 20 0 FEADMM O=C(CSCc1ccc(Cl)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773156461 681127945 /nfs/dbraw/zinc/12/79/45/681127945.db2.gz BBJDJFWTZCKRFW-GFCCVEGCSA-N -1 1 369.903 2.403 20 0 FEADMM O=C(c1ccc(Br)c(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773161976 681128546 /nfs/dbraw/zinc/12/85/46/681128546.db2.gz QRTQDEKRZGYAOF-SNVBAGLBSA-N -1 1 372.223 2.032 20 0 FEADMM COc1ccccc1O[C@H](C)CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774005942 681164320 /nfs/dbraw/zinc/16/43/20/681164320.db2.gz GEFGJCRRTNNLAG-LLVKDONJSA-N -1 1 358.423 2.224 20 0 FEADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774402681 681184133 /nfs/dbraw/zinc/18/41/33/681184133.db2.gz KFFIDKLEMMNXMK-VIFPVBQESA-N -1 1 364.377 2.494 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc3N2)c1Cl ZINC000846233637 681206830 /nfs/dbraw/zinc/20/68/30/681206830.db2.gz SKKKASYGLODKEA-GFCCVEGCSA-N -1 1 354.863 2.169 20 0 FEADMM CN(C)C(=O)Nc1cccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774964043 681257769 /nfs/dbraw/zinc/25/77/69/681257769.db2.gz YUSNSWRNELKLTG-UHFFFAOYSA-N -1 1 361.320 2.006 20 0 FEADMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cc2cc(F)ccc2oc1=O ZINC000774970271 681258638 /nfs/dbraw/zinc/25/86/38/681258638.db2.gz YELSDIBNRVDVQE-UHFFFAOYSA-N -1 1 361.247 2.158 20 0 FEADMM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000775746141 681331262 /nfs/dbraw/zinc/33/12/62/681331262.db2.gz BQUFGFUXBKGVKG-SKDRFNHKSA-N -1 1 361.826 2.267 20 0 FEADMM O=C([C@H](O)c1ccc(Cl)cc1F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847089685 681331254 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691906846 /nfs/dbraw/zinc/90/68/46/691906846.db2.gz MSHXUROLTGRYPC-ZDUSSCGKSA-N -1 1 350.415 2.219 20 0 FEADMM CN(CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])[C@H]1CCSC1 ZINC000910314634 691915049 /nfs/dbraw/zinc/91/50/49/691915049.db2.gz LAHGNRQXODULKL-WMLDXEAASA-N -1 1 370.902 2.279 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC000780691597 939145373 /nfs/dbraw/zinc/14/53/73/939145373.db2.gz HHTZTBXQHMCOOV-CQSZACIVSA-N -1 1 360.458 2.304 20 0 FEADMM COc1ccc([C@H](NC(=O)N[C@@H]2CCCc3cn[nH]c32)C(=O)[O-])cc1F ZINC000797725782 939188630 /nfs/dbraw/zinc/18/86/30/939188630.db2.gz VMRDCHZVSABJCH-DOMZBBRYSA-N -1 1 362.361 2.060 20 0 FEADMM Cc1ccc([C@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])cc1C ZINC000909696403 939726408 /nfs/dbraw/zinc/72/64/08/939726408.db2.gz STAXZIPSUVTGND-KVZIAJEVSA-N -1 1 374.481 2.436 20 0 FEADMM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000007056038 539446363 /nfs/dbraw/zinc/44/63/63/539446363.db2.gz LMKZBLYPNPOOCB-UHFFFAOYSA-N -1 1 374.871 2.391 20 0 FEADMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000007727720 539464604 /nfs/dbraw/zinc/46/46/04/539464604.db2.gz FTZXYOOAKTZSNH-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM COc1ccc(-c2nc(C)c(C(=O)[N-]N3CCCNC3=O)s2)c(F)c1 ZINC000800529734 674060113 /nfs/dbraw/zinc/06/01/13/674060113.db2.gz FCPPGOXVCZUTGH-UHFFFAOYSA-N -1 1 364.402 2.326 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000024577599 539734744 /nfs/dbraw/zinc/73/47/44/539734744.db2.gz LHZPJUGNLRABSX-UHFFFAOYSA-N -1 1 357.391 2.460 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000024957567 539744295 /nfs/dbraw/zinc/74/42/95/539744295.db2.gz SNHXZZZCVKZWQT-UHFFFAOYSA-N -1 1 363.391 2.242 20 0 FEADMM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000028250372 539829236 /nfs/dbraw/zinc/82/92/36/539829236.db2.gz ZHALXWFDVSVKDY-UHFFFAOYSA-N -1 1 366.464 2.348 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000028259050 539829277 /nfs/dbraw/zinc/82/92/77/539829277.db2.gz LAAQIEBIWXWUGG-UHFFFAOYSA-N -1 1 368.798 2.026 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cn1 ZINC000028678788 539835218 /nfs/dbraw/zinc/83/52/18/539835218.db2.gz KZLLWSGXEUSBQR-NSHDSACASA-N -1 1 361.423 2.189 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000029337905 539850538 /nfs/dbraw/zinc/85/05/38/539850538.db2.gz WKABKZOZPORNSX-UHFFFAOYSA-N -1 1 365.407 2.220 20 0 FEADMM COCc1cccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c1 ZINC000029969010 539870826 /nfs/dbraw/zinc/87/08/26/539870826.db2.gz TUUZQGVCMSUVOW-UHFFFAOYSA-N -1 1 364.423 2.465 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)NCc1ccco1 ZINC000031071596 539897506 /nfs/dbraw/zinc/89/75/06/539897506.db2.gz LVQMWTDYHVFQRF-UHFFFAOYSA-N -1 1 369.251 2.243 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1C(N)=O ZINC000032084586 539928284 /nfs/dbraw/zinc/92/82/84/539928284.db2.gz BWOAQWWYHWBFGR-UHFFFAOYSA-N -1 1 373.434 2.243 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@@H]1n1cccn1 ZINC000550022859 674078504 /nfs/dbraw/zinc/07/85/04/674078504.db2.gz PXKZLLSZJRHIGP-LXZKKBNFSA-N -1 1 361.423 2.326 20 0 FEADMM Cc1ccc(CN(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)o1 ZINC000042127436 540052692 /nfs/dbraw/zinc/05/26/92/540052692.db2.gz VLTHXKXONHFXAO-UHFFFAOYSA-N -1 1 352.394 2.243 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC(=O)OC2CCCCC2)o1 ZINC000800970070 674095357 /nfs/dbraw/zinc/09/53/57/674095357.db2.gz WRYYZTUHVVNKRK-UHFFFAOYSA-N -1 1 373.427 2.001 20 0 FEADMM O=C(NCCCn1cccn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045712637 540223511 /nfs/dbraw/zinc/22/35/11/540223511.db2.gz XYASPANBUUOIBQ-UHFFFAOYSA-N -1 1 356.426 2.283 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000045774274 540226728 /nfs/dbraw/zinc/22/67/28/540226728.db2.gz VTMJWCICRMTNAL-UHFFFAOYSA-N -1 1 357.391 2.460 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1nc2ccccc2[nH]1 ZINC000047327495 540303463 /nfs/dbraw/zinc/30/34/63/540303463.db2.gz SMDIQZYAEGEKAF-UHFFFAOYSA-N -1 1 360.377 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)o1 ZINC000048136021 540346685 /nfs/dbraw/zinc/34/66/85/540346685.db2.gz YQFFNTKLRHBTMA-AWEZNQCLSA-N -1 1 365.455 2.054 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)cc1 ZINC000050533673 540407535 /nfs/dbraw/zinc/40/75/35/540407535.db2.gz ORLIRKUVNGEMCW-UHFFFAOYSA-N -1 1 362.451 2.162 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CCOCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000055107907 540628774 /nfs/dbraw/zinc/62/87/74/540628774.db2.gz BIPOMRAJTOBLPC-UHFFFAOYSA-N -1 1 362.332 2.395 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCC(=O)N(C)C)cc1 ZINC000055584155 540661637 /nfs/dbraw/zinc/66/16/37/540661637.db2.gz ZCSPRYPUDCAZRW-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c1 ZINC000055650742 540668159 /nfs/dbraw/zinc/66/81/59/540668159.db2.gz LTTIFGIVRNGNRI-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc(-c2nnc(C)o2)cc1 ZINC000537172150 540695597 /nfs/dbraw/zinc/69/55/97/540695597.db2.gz BVXDBBZOMJGCDW-UHFFFAOYSA-N -1 1 355.354 2.208 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000056934533 540755772 /nfs/dbraw/zinc/75/57/72/540755772.db2.gz SMFAUTXVEBTTKL-ZDUSSCGKSA-N -1 1 352.438 2.472 20 0 FEADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1 ZINC000057123633 540769751 /nfs/dbraw/zinc/76/97/51/540769751.db2.gz AAQUZIGYVQVPSA-GFCCVEGCSA-N -1 1 365.455 2.363 20 0 FEADMM COc1ccc(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)c([O-])c1 ZINC000063318521 541165096 /nfs/dbraw/zinc/16/50/96/541165096.db2.gz SBHQQVQUMMOQJI-UHFFFAOYSA-N -1 1 354.362 2.302 20 0 FEADMM NC(=O)c1ccc(=NCCc2c[nH]c3ccc(Br)cc23)[n-]n1 ZINC000541276754 541179944 /nfs/dbraw/zinc/17/99/44/541179944.db2.gz SWAVMSZUCPVSMW-UHFFFAOYSA-N -1 1 360.215 2.474 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000064316611 541200530 /nfs/dbraw/zinc/20/05/30/541200530.db2.gz FCOGVPDHLJIJKX-UHFFFAOYSA-N -1 1 368.393 2.394 20 0 FEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)n[nH]1 ZINC000065080306 541225219 /nfs/dbraw/zinc/22/52/19/541225219.db2.gz SXVDPSOUVDRRKE-UHFFFAOYSA-N -1 1 369.406 2.076 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)o1 ZINC000066445741 541320035 /nfs/dbraw/zinc/32/00/35/541320035.db2.gz GAIHJEOVIKPBOM-ZDUSSCGKSA-N -1 1 350.440 2.166 20 0 FEADMM COc1cccc2c1OC[C@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)C2 ZINC000066639295 541352190 /nfs/dbraw/zinc/35/21/90/541352190.db2.gz XLCDKSVRKZLUSA-GFCCVEGCSA-N -1 1 362.455 2.398 20 0 FEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1csc(-c2cnccn2)n1 ZINC000066638059 541352357 /nfs/dbraw/zinc/35/23/57/541352357.db2.gz BSKXIMPFIBTVKW-UHFFFAOYSA-N -1 1 359.440 2.119 20 0 FEADMM Cn1c(CCNC(=O)c2csc(Cc3ccccc3)n2)n[n-]c1=S ZINC000067051589 541410854 /nfs/dbraw/zinc/41/08/54/541410854.db2.gz ZLYGOPOWJBQFAJ-UHFFFAOYSA-N -1 1 359.480 2.497 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CCN(c3ccc(C)c(C)c3)C2=O)n[n-]c1=S ZINC000067050627 541410972 /nfs/dbraw/zinc/41/09/72/541410972.db2.gz QPEDXEBIJXYVJE-CQSZACIVSA-N -1 1 373.482 2.247 20 0 FEADMM CC(C)n1c(CNC(=O)CN2CCc3sccc3C2)n[n-]c1=S ZINC000067071609 541413784 /nfs/dbraw/zinc/41/37/84/541413784.db2.gz SFICLWFRFPCIPR-UHFFFAOYSA-N -1 1 351.501 2.258 20 0 FEADMM CC(C)n1c(CNC(=O)CCCNC(=O)OC(C)(C)C)n[n-]c1=S ZINC000067071985 541413920 /nfs/dbraw/zinc/41/39/20/541413920.db2.gz BJIXQDCEKUZNNZ-UHFFFAOYSA-N -1 1 357.480 2.443 20 0 FEADMM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074931 541414424 /nfs/dbraw/zinc/41/44/24/541414424.db2.gz BDSYLVBZVBJILV-NSHDSACASA-N -1 1 371.507 2.484 20 0 FEADMM CCn1c(CCNC(=O)c2nc(SC)n3ccccc23)n[n-]c1=S ZINC000067076570 541414850 /nfs/dbraw/zinc/41/48/50/541414850.db2.gz JLUXQOQUBLCGLW-UHFFFAOYSA-N -1 1 362.484 2.303 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1S(N)(=O)=O ZINC000067124668 541420302 /nfs/dbraw/zinc/42/03/02/541420302.db2.gz HJKVXGZUFZCEKD-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1S(N)(=O)=O ZINC000067124660 541420549 /nfs/dbraw/zinc/42/05/49/541420549.db2.gz BMPIWCJFANMUQK-UHFFFAOYSA-N -1 1 372.443 2.145 20 0 FEADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000067542199 541477837 /nfs/dbraw/zinc/47/78/37/541477837.db2.gz MGMPEIVCYYTDIJ-UONOGXRCSA-N -1 1 370.453 2.492 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2nc(C)cs2)c(=O)[n-]1 ZINC000067862436 541521856 /nfs/dbraw/zinc/52/18/56/541521856.db2.gz KPPBVBOUUXCGFO-SNVBAGLBSA-N -1 1 352.485 2.375 20 0 FEADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000068216224 541564468 /nfs/dbraw/zinc/56/44/68/541564468.db2.gz LGZAAMHYWMNFCZ-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM CCOCCO[C@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068453763 541594421 /nfs/dbraw/zinc/59/44/21/541594421.db2.gz NNLPDKRMYNAZRF-GFCCVEGCSA-N -1 1 356.492 2.108 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCN(C)c3ccccc3C2)c(=O)[n-]1 ZINC000068861002 541635336 /nfs/dbraw/zinc/63/53/36/541635336.db2.gz VKGMCLROGKSLNJ-UHFFFAOYSA-N -1 1 372.494 2.211 20 0 FEADMM CC(C)C(=O)N1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000069498316 541691821 /nfs/dbraw/zinc/69/18/21/541691821.db2.gz QUHDPFBYTUWICI-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000072057408 541781324 /nfs/dbraw/zinc/78/13/24/541781324.db2.gz COWNWJXWDHECSB-YOEHRIQHSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1cc(C(=O)N=c2nc(C3CCC3)[nH][n-]2)nn1-c1nc(C)cc(C)n1 ZINC000544813330 541836465 /nfs/dbraw/zinc/83/64/65/541836465.db2.gz UKTHOIOITICIQS-UHFFFAOYSA-N -1 1 352.402 2.225 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1C ZINC000072700516 541853602 /nfs/dbraw/zinc/85/36/02/541853602.db2.gz UWWIKNNTALOSFF-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CCOCC1 ZINC000801374528 674124815 /nfs/dbraw/zinc/12/48/15/674124815.db2.gz LREDRJPBGCVHSP-UHFFFAOYSA-N -1 1 364.785 2.384 20 0 FEADMM O=C(OCCCN1CCCC1=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801375675 674124870 /nfs/dbraw/zinc/12/48/70/674124870.db2.gz RGXBQKJCCOKOKD-UHFFFAOYSA-N -1 1 363.801 2.401 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc2o1 ZINC000074006634 542025109 /nfs/dbraw/zinc/02/51/09/542025109.db2.gz WSXSRYFKWCSVNU-UHFFFAOYSA-N -1 1 359.363 2.382 20 0 FEADMM CCO[C@@H](CCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)C ZINC000074288620 542064531 /nfs/dbraw/zinc/06/45/31/542064531.db2.gz PNWYMRHHUDZIJG-KRWDZBQOSA-N -1 1 372.469 2.250 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000075438122 542179027 /nfs/dbraw/zinc/17/90/27/542179027.db2.gz RNXKWSIADQAXEW-LLVKDONJSA-N -1 1 353.426 2.355 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000075438122 542179031 /nfs/dbraw/zinc/17/90/31/542179031.db2.gz RNXKWSIADQAXEW-LLVKDONJSA-N -1 1 353.426 2.355 20 0 FEADMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075494597 542182364 /nfs/dbraw/zinc/18/23/64/542182364.db2.gz GBHAWDLDLASSLI-HNNXBMFYSA-N -1 1 351.362 2.185 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)ccc1F ZINC000075576873 542190046 /nfs/dbraw/zinc/19/00/46/542190046.db2.gz DROWDMUEMTVIPW-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000079085400 206794999 /nfs/dbraw/zinc/79/49/99/206794999.db2.gz UNWBYKYYJBGFGX-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3ccn(-c4cccc(Cl)c4)n3)ccnc1-2 ZINC000801703248 674144484 /nfs/dbraw/zinc/14/44/84/674144484.db2.gz LDJPYXYAVHPJOG-UHFFFAOYSA-N -1 1 352.785 2.433 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCCOc2ccc(C)cc2)o1 ZINC000077247628 542358989 /nfs/dbraw/zinc/35/89/89/542358989.db2.gz AHZFPVZCIKCMLG-UHFFFAOYSA-N -1 1 366.439 2.085 20 0 FEADMM CCOC(=O)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000072045987 208187099 /nfs/dbraw/zinc/18/70/99/208187099.db2.gz URJXQBLLGCRIFX-UHFFFAOYSA-N -1 1 357.204 2.069 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)o1 ZINC000080409660 542588369 /nfs/dbraw/zinc/58/83/69/542588369.db2.gz QEFVOECZSVVFHR-UHFFFAOYSA-N -1 1 360.391 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)o1 ZINC000080437558 542589390 /nfs/dbraw/zinc/58/93/90/542589390.db2.gz OUBPLOLTXWRWSM-ZDUSSCGKSA-N -1 1 352.387 2.304 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c1 ZINC000080939026 542617462 /nfs/dbraw/zinc/61/74/62/542617462.db2.gz HSVMHBVNDBLFOA-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](C)S1 ZINC000080956384 542618999 /nfs/dbraw/zinc/61/89/99/542618999.db2.gz BMSYYFHCIVTEFJ-QWRGUYRKSA-N -1 1 360.501 2.322 20 0 FEADMM Cc1ccn2cc(CNC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)nc2c1 ZINC000081583511 542667020 /nfs/dbraw/zinc/66/70/20/542667020.db2.gz XEBDRFMSCVTYRK-UHFFFAOYSA-N -1 1 353.426 2.262 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000091015520 542790478 /nfs/dbraw/zinc/79/04/78/542790478.db2.gz TZSOVZVMJWLFGC-UHFFFAOYSA-N -1 1 359.411 2.455 20 0 FEADMM CCc1c(C(=O)NCCc2n[n-]c(=S)n2CC)cnn1-c1ccccn1 ZINC000097552891 543013132 /nfs/dbraw/zinc/01/31/32/543013132.db2.gz JGMYLGLEEPRPRO-UHFFFAOYSA-N -1 1 371.470 2.076 20 0 FEADMM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1cccc(F)c1F ZINC000101572329 543034295 /nfs/dbraw/zinc/03/42/95/543034295.db2.gz JULAEDFNRSGKDE-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM O=C(CNC(=O)c1nc2ccccc2c(=O)[n-]1)Nc1cccc2ccccc21 ZINC000101602858 543036452 /nfs/dbraw/zinc/03/64/52/543036452.db2.gz HBVNJZIZJALPFK-UHFFFAOYSA-N -1 1 372.384 2.445 20 0 FEADMM CCCN(CC1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932544 543086024 /nfs/dbraw/zinc/08/60/24/543086024.db2.gz AQYNOUPDSLFQEY-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)Cc2cccc(C)c2)C2CCOCC2)n1 ZINC000551888353 674169256 /nfs/dbraw/zinc/16/92/56/674169256.db2.gz NAVSBRDNPUIXDE-INIZCTEOSA-N -1 1 365.455 2.274 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccccc2C)C2CCOCC2)n1 ZINC000551888805 674169262 /nfs/dbraw/zinc/16/92/62/674169262.db2.gz GJCBXXYKWUZGRD-HNNXBMFYSA-N -1 1 351.428 2.133 20 0 FEADMM O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000103202832 543097043 /nfs/dbraw/zinc/09/70/43/543097043.db2.gz ODVFVVJVUXACFA-UHFFFAOYSA-N -1 1 366.421 2.326 20 0 FEADMM Cc1ccc(OCCN(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000103940455 543118890 /nfs/dbraw/zinc/11/88/90/543118890.db2.gz GFZAPGIOLNURLE-UHFFFAOYSA-N -1 1 368.437 2.028 20 0 FEADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)cc12 ZINC000106006791 543184332 /nfs/dbraw/zinc/18/43/32/543184332.db2.gz KZZGGBIELPNZFC-JTQLQIEISA-N -1 1 358.423 2.401 20 0 FEADMM CCOc1ccc2c(c1)C[C@H](C(=O)Nc1nc(-c3ccccn3)n[nH]1)CO2 ZINC000106749463 543244651 /nfs/dbraw/zinc/24/46/51/543244651.db2.gz ZEWWSLYZGIXCKK-ZDUSSCGKSA-N -1 1 365.393 2.455 20 0 FEADMM NC(=O)c1ccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)cc1 ZINC000108593028 543296498 /nfs/dbraw/zinc/29/64/98/543296498.db2.gz BUDNCHMHKWPARJ-UHFFFAOYSA-N -1 1 362.455 2.000 20 0 FEADMM Cc1csc(N(C)C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)n1 ZINC000109288207 543320055 /nfs/dbraw/zinc/32/00/55/543320055.db2.gz HEERKZCYTCBUEZ-UHFFFAOYSA-N -1 1 356.407 2.098 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2ccc(F)cc2F)c(=O)[n-]1 ZINC000112184449 543433068 /nfs/dbraw/zinc/43/30/68/543433068.db2.gz IQJOMJYYEKJSDB-UHFFFAOYSA-N -1 1 367.421 2.370 20 0 FEADMM Cc1ccc(C)c(OCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114412228 543513902 /nfs/dbraw/zinc/51/39/02/543513902.db2.gz WTTOQYSKYLUMDH-UHFFFAOYSA-N -1 1 368.437 2.342 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC(C)(C)c2nccs2)c(=O)[n-]1 ZINC000116141157 543600285 /nfs/dbraw/zinc/60/02/85/543600285.db2.gz DHJLYWHXNWTAKL-UHFFFAOYSA-N -1 1 352.485 2.241 20 0 FEADMM Cc1nc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)no1 ZINC000118645410 543654291 /nfs/dbraw/zinc/65/42/91/543654291.db2.gz GPTBEEZKHRHXFU-UHFFFAOYSA-N -1 1 372.406 2.109 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)N(C)CC4)ccc2O1 ZINC000122811066 543725390 /nfs/dbraw/zinc/72/53/90/543725390.db2.gz HZOJWYJQMYWYJN-GFCCVEGCSA-N -1 1 372.446 2.439 20 0 FEADMM CCC(CC)C(=O)N1CCC(NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000122889286 543729809 /nfs/dbraw/zinc/72/98/09/543729809.db2.gz COZNXURODMMHCV-UHFFFAOYSA-N -1 1 370.453 2.080 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccnc1Nc1ccccc1F)c1nn[n-]n1 ZINC000124441350 543821867 /nfs/dbraw/zinc/82/18/67/543821867.db2.gz VMPWYLFUBHWJPD-LLVKDONJSA-N -1 1 355.377 2.353 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)N(C)C[C@@H](C)c3nn[n-]n3)cs2)cc1 ZINC000123974690 543793838 /nfs/dbraw/zinc/79/38/38/543793838.db2.gz LLAVLHRFJKLNBY-GFCCVEGCSA-N -1 1 356.455 2.436 20 0 FEADMM C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1c(O)cccc1O ZINC000125815039 543903655 /nfs/dbraw/zinc/90/36/55/543903655.db2.gz XSSRJABSIDJYNN-OAHLLOKOSA-N -1 1 355.438 2.038 20 0 FEADMM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000127036989 543969677 /nfs/dbraw/zinc/96/96/77/543969677.db2.gz JCRFRVIFOYLFIC-MRVPVSSYSA-N -1 1 371.684 2.184 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)oc1C ZINC000126764606 543955186 /nfs/dbraw/zinc/95/51/86/543955186.db2.gz DAZGPSHBTHISBN-UHFFFAOYSA-N -1 1 355.416 2.487 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3cc(F)cc(F)c3)[nH]c21 ZINC000128644111 544064612 /nfs/dbraw/zinc/06/46/12/544064612.db2.gz IDVHQHPGIXPZAJ-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM CCn1c2ccccc2nc1SCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129342728 544107101 /nfs/dbraw/zinc/10/71/01/544107101.db2.gz SNCKUMQGWGCSFG-GFCCVEGCSA-N -1 1 371.470 2.068 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)co1 ZINC000129548389 544117764 /nfs/dbraw/zinc/11/77/64/544117764.db2.gz IHWUUADLPRKLAN-OAHLLOKOSA-N -1 1 365.455 2.054 20 0 FEADMM Cc1ccc(-c2nc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)n[nH]2)cc1 ZINC000131617995 544198292 /nfs/dbraw/zinc/19/82/92/544198292.db2.gz YXBICVCJBVJKMW-UHFFFAOYSA-N -1 1 362.436 2.497 20 0 FEADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)nc3)cc21 ZINC000132219867 544223418 /nfs/dbraw/zinc/22/34/18/544223418.db2.gz WIRPRPVCOUBVHS-UHFFFAOYSA-N -1 1 374.466 2.248 20 0 FEADMM CCN1CCN([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)CC1 ZINC000133487026 544272090 /nfs/dbraw/zinc/27/20/90/544272090.db2.gz MJBKKDCJHIKVCL-ZDUSSCGKSA-N -1 1 355.841 2.037 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@H](Oc3ccc(F)cc3)C1)c2=O ZINC000133769115 544282677 /nfs/dbraw/zinc/28/26/77/544282677.db2.gz PGFQIRSHCIVLCX-ZDUSSCGKSA-N -1 1 356.357 2.107 20 0 FEADMM CC(C)[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134254302 544300695 /nfs/dbraw/zinc/30/06/95/544300695.db2.gz OKKAONNVRPLRRJ-MSOLQXFVSA-N -1 1 370.449 2.283 20 0 FEADMM CCC[C@@H]1SCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000135025784 544331441 /nfs/dbraw/zinc/33/14/41/544331441.db2.gz MATFKDCTMGLFQW-INIZCTEOSA-N -1 1 358.467 2.384 20 0 FEADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000135907232 544363323 /nfs/dbraw/zinc/36/33/23/544363323.db2.gz GVTVXFCBZFLMKF-UHFFFAOYSA-N -1 1 372.816 2.338 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc2[nH]cnc21 ZINC000136249187 544369889 /nfs/dbraw/zinc/36/98/89/544369889.db2.gz UITTYKMHQQCZTO-UHFFFAOYSA-N -1 1 350.382 2.499 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nn[n-]n1 ZINC000136626337 544375374 /nfs/dbraw/zinc/37/53/74/544375374.db2.gz PCTIMLVTGDDRNR-CQSZACIVSA-N -1 1 351.414 2.145 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1nn[n-]n1 ZINC000136702182 544377562 /nfs/dbraw/zinc/37/75/62/544377562.db2.gz STZXQKZJEASQHI-SMDDNHRTSA-N -1 1 356.434 2.495 20 0 FEADMM Cn1ccc(N2CCC[C@@H](Sc3nc(C(F)(F)F)cc(=O)[n-]3)C2=O)n1 ZINC000151040039 544499031 /nfs/dbraw/zinc/49/90/31/544499031.db2.gz JKAFABCCFSWTBN-MRVPVSSYSA-N -1 1 373.360 2.222 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2ccc(C(=O)OC(C)(C)C)cc2)n[n-]1 ZINC000151397941 544537269 /nfs/dbraw/zinc/53/72/69/544537269.db2.gz VGIWRIUUXXVBDO-UHFFFAOYSA-N -1 1 351.428 2.296 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)n[n-]1 ZINC000151115832 544506656 /nfs/dbraw/zinc/50/66/56/544506656.db2.gz QSXGVGSPHUWAMZ-VIFPVBQESA-N -1 1 365.390 2.015 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)Cc2ccccc2)co1 ZINC000152334447 544641002 /nfs/dbraw/zinc/64/10/02/544641002.db2.gz OZJPNJIKBPSWPQ-UHFFFAOYSA-N -1 1 350.440 2.186 20 0 FEADMM CN1CCN(C[C@H](N=c2nc(C(F)(F)F)[n-]s2)c2ccccc2)CC1 ZINC000553037991 674235238 /nfs/dbraw/zinc/23/52/38/674235238.db2.gz OCTVIXQUVNEMPM-ZDUSSCGKSA-N -1 1 371.432 2.379 20 0 FEADMM CO[C@@H](C)c1nc(=N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)s[n-]1 ZINC000553366824 674255780 /nfs/dbraw/zinc/25/57/80/674255780.db2.gz JUEJNRLOAHBSAC-VHSXEESVSA-N -1 1 366.409 2.413 20 0 FEADMM FC(F)(F)c1nc(=NCCNc2nccc(C(F)(F)F)n2)s[n-]1 ZINC000553410812 674259427 /nfs/dbraw/zinc/25/94/27/674259427.db2.gz SBVIDTHCENZZOJ-UHFFFAOYSA-N -1 1 358.271 2.312 20 0 FEADMM O=C([N-][C@H](CO)c1nc(-c2ccccc2)no1)C(F)(F)c1nccs1 ZINC000804122690 674272354 /nfs/dbraw/zinc/27/23/54/674272354.db2.gz GFASRTDTBFNWEW-SNVBAGLBSA-N -1 1 366.349 2.135 20 0 FEADMM CCCN1C(=O)N(c2ccc([N-]S(=O)(=O)CC)c(OC)c2)C(=O)[C@@H]1C ZINC000804203344 674276282 /nfs/dbraw/zinc/27/62/82/674276282.db2.gz BPIGLNBDLHDBAR-NSHDSACASA-N -1 1 369.443 2.024 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000804327522 674280588 /nfs/dbraw/zinc/28/05/88/674280588.db2.gz QVONAHHDUAZWOX-UHFFFAOYSA-N -1 1 361.829 2.019 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2C)cc1 ZINC000181097460 327716090 /nfs/dbraw/zinc/71/60/90/327716090.db2.gz DISONQPVRDFVHN-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181942949 327754057 /nfs/dbraw/zinc/75/40/57/327754057.db2.gz PMJFCPALYZGFDP-SNVBAGLBSA-N -1 1 352.387 2.012 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(OC)c(C)c2C)co1 ZINC000553736343 674282655 /nfs/dbraw/zinc/28/26/55/674282655.db2.gz SWPFLHNSSOTKHW-UHFFFAOYSA-N -1 1 352.412 2.374 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccc(F)c(C)c1 ZINC000184253985 327858418 /nfs/dbraw/zinc/85/84/18/327858418.db2.gz RAZMMOSBTOEYIZ-OAHLLOKOSA-N -1 1 369.418 2.104 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1ccsc1 ZINC000184256021 327858642 /nfs/dbraw/zinc/85/86/42/327858642.db2.gz SLZGCUKCRDIDHO-HNNXBMFYSA-N -1 1 362.432 2.489 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000184979523 327893039 /nfs/dbraw/zinc/89/30/39/327893039.db2.gz BFXAGKIJCUEEKC-OAHLLOKOSA-N -1 1 366.483 2.367 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)[C@@H](C)CC ZINC000185861396 327936270 /nfs/dbraw/zinc/93/62/70/327936270.db2.gz DZKTUKWRMHKIFK-NHYWBVRUSA-N -1 1 354.428 2.225 20 0 FEADMM Cc1ccc(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(Br)c1 ZINC000187340086 328018038 /nfs/dbraw/zinc/01/80/38/328018038.db2.gz MUCOZZUZLTWHQP-LLVKDONJSA-N -1 1 366.263 2.465 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ccsc3)CC2)co1 ZINC000187817967 328048259 /nfs/dbraw/zinc/04/82/59/328048259.db2.gz ZIRPFBCTIJVRFD-UHFFFAOYSA-N -1 1 354.453 2.269 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000189531876 328153191 /nfs/dbraw/zinc/15/31/91/328153191.db2.gz HNIYNMPJAISWTD-UHFFFAOYSA-N -1 1 372.322 2.037 20 0 FEADMM CCOC1CC(CCNC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000190004579 328181968 /nfs/dbraw/zinc/18/19/68/328181968.db2.gz NWRNCTOWIVYIJC-UHFFFAOYSA-N -1 1 353.488 2.054 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190210897 328194575 /nfs/dbraw/zinc/19/45/75/328194575.db2.gz LZSAGNYQRWCTFH-INIZCTEOSA-N -1 1 366.421 2.081 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)o1 ZINC000190369886 328203569 /nfs/dbraw/zinc/20/35/69/328203569.db2.gz XWDAQIKOLDQQEZ-CABZTGNLSA-N -1 1 355.416 2.156 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)N(C)C ZINC000190581520 328217772 /nfs/dbraw/zinc/21/77/72/328217772.db2.gz KTDQRMHKZYJEQK-ZETCQYMHSA-N -1 1 358.769 2.114 20 0 FEADMM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@H]12)c1sccc1Br ZINC000190629179 328220604 /nfs/dbraw/zinc/22/06/04/328220604.db2.gz SXMNDWYTFGNGOZ-SZEHBUNVSA-N -1 1 352.275 2.356 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])[C@H](C)CO1 ZINC000192614066 328328762 /nfs/dbraw/zinc/32/87/62/328328762.db2.gz GNOYGCBIAUWDPP-RKDXNWHRSA-N -1 1 361.179 2.246 20 0 FEADMM CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)[N-]CC(F)(F)F ZINC000195178036 328460201 /nfs/dbraw/zinc/46/02/01/328460201.db2.gz FUYUELAVCHBMCE-UHFFFAOYSA-N -1 1 373.828 2.100 20 0 FEADMM C[C@@H](Cn1cccn1)NC(=O)c1cc(I)ccc1[O-] ZINC000221856821 328483082 /nfs/dbraw/zinc/48/30/82/328483082.db2.gz KYIUMGYZUBPNFP-VIFPVBQESA-N -1 1 371.178 2.012 20 0 FEADMM C[C@@H](Cn1ccnc1)NC(=O)c1ccc(I)c([O-])c1 ZINC000230889022 328487110 /nfs/dbraw/zinc/48/71/10/328487110.db2.gz PFXIJCKZMYXOQU-VIFPVBQESA-N -1 1 371.178 2.012 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000078810148 325063243 /nfs/dbraw/zinc/06/32/43/325063243.db2.gz HRUVWEBJCDYZLO-UHFFFAOYSA-N -1 1 370.453 2.008 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOc3ccc(F)cc32)c(=O)[n-]1 ZINC000088265085 325290074 /nfs/dbraw/zinc/29/00/74/325290074.db2.gz ZFDKTTFPFJFKFN-UHFFFAOYSA-N -1 1 363.414 2.298 20 0 FEADMM Cc1noc(C)c1CCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091161145 325376053 /nfs/dbraw/zinc/37/60/53/325376053.db2.gz VBWYQJUEDVNDSN-UHFFFAOYSA-N -1 1 355.391 2.373 20 0 FEADMM O=C(CN1CCC[C@H](c2nncn2C2CC2)C1)[N-]OCc1ccccc1 ZINC000091631693 325389411 /nfs/dbraw/zinc/38/94/11/325389411.db2.gz TVQUKMSCVHCGFV-INIZCTEOSA-N -1 1 355.442 2.040 20 0 FEADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000091700476 325389949 /nfs/dbraw/zinc/38/99/49/325389949.db2.gz CRNXNDJKZNESCI-LLVKDONJSA-N -1 1 351.204 2.261 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)CO)c2)cc1F ZINC000097203047 325458899 /nfs/dbraw/zinc/45/88/99/325458899.db2.gz YDKZRVPGWYAZTL-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000103426001 325516758 /nfs/dbraw/zinc/51/67/58/325516758.db2.gz IQAAZAMPFMTQAI-UHFFFAOYSA-N -1 1 366.464 2.270 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000103938584 325529299 /nfs/dbraw/zinc/52/92/99/325529299.db2.gz PFSYOEASLPEXCC-UHFFFAOYSA-N -1 1 362.336 2.422 20 0 FEADMM Cc1nc2cc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)ccc2o1 ZINC000104021679 325530937 /nfs/dbraw/zinc/53/09/37/325530937.db2.gz RLCZHIIQWOWNRD-UHFFFAOYSA-N -1 1 351.366 2.270 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000104386465 325538005 /nfs/dbraw/zinc/53/80/05/325538005.db2.gz DAJOUQXQYBTCNW-UHFFFAOYSA-N -1 1 371.422 2.281 20 0 FEADMM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1OC ZINC000106894627 325614617 /nfs/dbraw/zinc/61/46/17/325614617.db2.gz OTLMEDCLLOJFCZ-SNVBAGLBSA-N -1 1 373.862 2.000 20 0 FEADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000110589043 325689943 /nfs/dbraw/zinc/68/99/43/325689943.db2.gz XKVKAQJMAGHJCP-UHFFFAOYSA-N -1 1 356.835 2.311 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000114156340 325875140 /nfs/dbraw/zinc/87/51/40/325875140.db2.gz QQJVQSQHDFTXPE-GFCCVEGCSA-N -1 1 374.828 2.377 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000117986293 326075832 /nfs/dbraw/zinc/07/58/32/326075832.db2.gz RAQLHXWEYCSZKL-CYBMUJFWSA-N -1 1 354.859 2.226 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(C2CC2)CC1 ZINC000118957827 326113046 /nfs/dbraw/zinc/11/30/46/326113046.db2.gz ZEEDOWXSPHLEOF-UHFFFAOYSA-N -1 1 352.438 2.379 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(C(C)(C)C)cc2)co1 ZINC000119443493 326162800 /nfs/dbraw/zinc/16/28/00/326162800.db2.gz SMMVSVOFPVKGNY-UHFFFAOYSA-N -1 1 364.467 2.458 20 0 FEADMM Cc1ccc(C(=O)N[C@@H](C)CO)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000119540164 326173480 /nfs/dbraw/zinc/17/34/80/326173480.db2.gz CTFCUCFLGBTLIR-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CCc1[nH]c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c(C)c1C(=O)OC ZINC000119677382 326187048 /nfs/dbraw/zinc/18/70/48/326187048.db2.gz DJWQUQZQKNNCQU-UHFFFAOYSA-N -1 1 356.386 2.048 20 0 FEADMM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000119962764 326216617 /nfs/dbraw/zinc/21/66/17/326216617.db2.gz UQTKNCVREPPICL-RITPCOANSA-N -1 1 350.314 2.446 20 0 FEADMM CCCOCc1ccccc1CNC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000120452550 326259860 /nfs/dbraw/zinc/25/98/60/326259860.db2.gz DHHPEPNNEKYJBA-UHFFFAOYSA-N -1 1 366.439 2.044 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1sccc1Br ZINC000121729089 326362033 /nfs/dbraw/zinc/36/20/33/326362033.db2.gz ZCLIEVWPDFURCZ-BDAKNGLRSA-N -1 1 354.291 2.340 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H](C)O)c2)c1 ZINC000125728617 326476877 /nfs/dbraw/zinc/47/68/77/326476877.db2.gz FOZGCMMPOOVMSB-CQSZACIVSA-N -1 1 362.451 2.249 20 0 FEADMM CC[C@@H](c1ccncc1)N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000128347923 326522191 /nfs/dbraw/zinc/52/21/91/326522191.db2.gz UBDGMFOPLOLAGP-INIZCTEOSA-N -1 1 353.426 2.187 20 0 FEADMM Cn1cc(Cl)cc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130475527 326557565 /nfs/dbraw/zinc/55/75/65/326557565.db2.gz JSOCJCFCKSXSBZ-UHFFFAOYSA-N -1 1 369.830 2.077 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1C[C@@H]1c1ccco1 ZINC000130508479 326558226 /nfs/dbraw/zinc/55/82/26/326558226.db2.gz GGXOLTVUQXJBPY-STQMWFEESA-N -1 1 362.407 2.168 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cccc(-c4ncco4)c3)cc21 ZINC000132722853 326597107 /nfs/dbraw/zinc/59/71/07/326597107.db2.gz NDVVAFYFAMVHTP-UHFFFAOYSA-N -1 1 369.402 2.428 20 0 FEADMM O=C(c1ncccc1[O-])N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000133551354 326610760 /nfs/dbraw/zinc/61/07/60/326610760.db2.gz BIXFDOFPMFOKIZ-CQSZACIVSA-N -1 1 365.311 2.119 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1nc(C2CC2)no1 ZINC000152645016 326712905 /nfs/dbraw/zinc/71/29/05/326712905.db2.gz SLIJIKSCPXCCLR-CYBMUJFWSA-N -1 1 353.448 2.400 20 0 FEADMM CC[C@@H](CNC(=O)c1coc(S(=O)(=O)[N-]C)c1)Oc1ccccc1C ZINC000155266967 326782922 /nfs/dbraw/zinc/78/29/22/326782922.db2.gz UMTZCPLMPAMSRB-AWEZNQCLSA-N -1 1 366.439 2.084 20 0 FEADMM C[C@@]1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCOC1 ZINC000156914478 326848191 /nfs/dbraw/zinc/84/81/91/326848191.db2.gz JJONOHSNHZRFSE-GOSISDBHSA-N -1 1 360.435 2.396 20 0 FEADMM CCOCCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000158375909 326893925 /nfs/dbraw/zinc/89/39/25/326893925.db2.gz UOMHQVFWEFRGDE-UHFFFAOYSA-N -1 1 372.487 2.293 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(C)(C)C)cc2)co1 ZINC000162857132 327036444 /nfs/dbraw/zinc/03/64/44/327036444.db2.gz PJMSKUSUVRSCFA-UHFFFAOYSA-N -1 1 350.440 2.415 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000170630116 327089652 /nfs/dbraw/zinc/08/96/52/327089652.db2.gz BTLXHPNNAZQSIX-SQWLQELKSA-N -1 1 352.438 2.235 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCn3c4ccccc4nc32)c1 ZINC000171018892 327112852 /nfs/dbraw/zinc/11/28/52/327112852.db2.gz VVLJNVCXRBHZJB-UHFFFAOYSA-N -1 1 370.434 2.377 20 0 FEADMM CO[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000171194212 327123444 /nfs/dbraw/zinc/12/34/44/327123444.db2.gz UUFLLDBQUODMFD-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2ccc3c(c2)CCO3)c(=O)[n-]1 ZINC000172147858 327184087 /nfs/dbraw/zinc/18/40/87/327184087.db2.gz RYWSIAWVAVEIMG-UHFFFAOYSA-N -1 1 373.478 2.027 20 0 FEADMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)C[C@H]2CCCO2)ccc1Cl ZINC000172366471 327198109 /nfs/dbraw/zinc/19/81/09/327198109.db2.gz ABJTYBFEGGADPB-GFCCVEGCSA-N -1 1 358.847 2.153 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000173200832 327241014 /nfs/dbraw/zinc/24/10/14/327241014.db2.gz HBRIHXMXVLDTAO-VIFPVBQESA-N -1 1 373.722 2.469 20 0 FEADMM COc1ccccc1O[C@@H](C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000173277496 327246305 /nfs/dbraw/zinc/24/63/05/327246305.db2.gz SEUZGHMWUPQQPF-LBPRGKRZSA-N -1 1 353.378 2.129 20 0 FEADMM CCc1nnnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000174258407 327315919 /nfs/dbraw/zinc/31/59/19/327315919.db2.gz RBPTYBPUJLVPKE-UHFFFAOYSA-N -1 1 373.438 2.343 20 0 FEADMM Cc1[nH]nc2ncc(NC(=O)c3cc(C)ccc3[N-]S(C)(=O)=O)cc12 ZINC000174389992 327324236 /nfs/dbraw/zinc/32/42/36/327324236.db2.gz SXCCLJCHUGTIOA-UHFFFAOYSA-N -1 1 359.411 2.199 20 0 FEADMM CC(C)[C@@](C)(O)CNC(=O)c1cc(I)ccc1[O-] ZINC000174445341 327327474 /nfs/dbraw/zinc/32/74/74/327327474.db2.gz BKCFHNYBNDUKNE-ZDUSSCGKSA-N -1 1 363.195 2.134 20 0 FEADMM Cc1nc([N-]C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)n[nH]1 ZINC000174613079 327338602 /nfs/dbraw/zinc/33/86/02/327338602.db2.gz UIAYENLFIQMQQU-UHFFFAOYSA-N -1 1 357.761 2.061 20 0 FEADMM COc1ccc(-c2cc3[n-]c(CN4CC[C@@H](CO)C4)nc(=O)c3s2)cc1 ZINC000174709171 327344620 /nfs/dbraw/zinc/34/46/20/327344620.db2.gz GJHNPCVXJAQKSD-GFCCVEGCSA-N -1 1 371.462 2.474 20 0 FEADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000174748281 327348175 /nfs/dbraw/zinc/34/81/75/327348175.db2.gz XMNUHRXJGZBIJH-UHFFFAOYSA-N -1 1 370.434 2.323 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(-n3nnnc3C)c2)c1 ZINC000176485580 327458489 /nfs/dbraw/zinc/45/84/89/327458489.db2.gz MZSLVLVAEUNUBR-UHFFFAOYSA-N -1 1 373.438 2.343 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)o1 ZINC000177525398 327528575 /nfs/dbraw/zinc/52/85/75/327528575.db2.gz BHKJEGJYVAEXBA-STQMWFEESA-N -1 1 367.427 2.115 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C)c(Br)o1 ZINC000177546575 327529762 /nfs/dbraw/zinc/52/97/62/327529762.db2.gz AEBJXYFXIONFQU-UHFFFAOYSA-N -1 1 354.222 2.153 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)O)cc1 ZINC000178077697 327563876 /nfs/dbraw/zinc/56/38/76/327563876.db2.gz SCNVWLKDTSDSCG-AWEZNQCLSA-N -1 1 362.451 2.249 20 0 FEADMM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1cccc(F)c1F ZINC000263656784 328949726 /nfs/dbraw/zinc/94/97/26/328949726.db2.gz CSNNJMJSLLXKII-UHFFFAOYSA-N -1 1 353.394 2.439 20 0 FEADMM COC(=O)C[C@H](C)SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000265188669 329100686 /nfs/dbraw/zinc/10/06/86/329100686.db2.gz AGIKLMMZLJCUKM-VIFPVBQESA-N -1 1 361.366 2.229 20 0 FEADMM NC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCC1 ZINC000265210592 329102731 /nfs/dbraw/zinc/10/27/31/329102731.db2.gz LZTVNHGHVFSCTO-UHFFFAOYSA-N -1 1 357.284 2.379 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)c1C ZINC000266071539 329187397 /nfs/dbraw/zinc/18/73/97/329187397.db2.gz LJALEGAIGSKCEU-UHFFFAOYSA-N -1 1 355.391 2.246 20 0 FEADMM CCC(CC)(CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)SC ZINC000266371285 329215867 /nfs/dbraw/zinc/21/58/67/329215867.db2.gz RIXCMZIFJGHNCA-UHFFFAOYSA-N -1 1 350.488 2.220 20 0 FEADMM COc1cccc(O[C@@H](C)CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000267204718 329302463 /nfs/dbraw/zinc/30/24/63/329302463.db2.gz YKMCPMODAABBDP-JTQLQIEISA-N -1 1 363.439 2.418 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000268066722 329382020 /nfs/dbraw/zinc/38/20/20/329382020.db2.gz INMSGADEGVEPJA-HNNXBMFYSA-N -1 1 368.412 2.337 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2nc3c(cccc3C)o2)c1 ZINC000270046781 329570526 /nfs/dbraw/zinc/57/05/26/329570526.db2.gz TXOPFGMSBUBWHP-UHFFFAOYSA-N -1 1 364.379 2.037 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@H]1O ZINC000270559474 329610225 /nfs/dbraw/zinc/61/02/25/329610225.db2.gz KAIBUHXGRPFOOT-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000271516460 329699569 /nfs/dbraw/zinc/69/95/69/329699569.db2.gz OPWITRSYNVWBER-MNOVXSKESA-N -1 1 372.418 2.115 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000271883061 329733957 /nfs/dbraw/zinc/73/39/57/329733957.db2.gz NLXVOJHZIWBADF-QGZVFWFLSA-N -1 1 370.453 2.008 20 0 FEADMM Cc1nscc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000272248505 329763370 /nfs/dbraw/zinc/76/33/70/329763370.db2.gz ORZPIFFYDBPMOY-UHFFFAOYSA-N -1 1 367.452 2.194 20 0 FEADMM CCc1nc(C(=O)[N-]c2nc(COC)ns2)nn1-c1ccccc1F ZINC000273114013 329838126 /nfs/dbraw/zinc/83/81/26/329838126.db2.gz QPKHRZZUOVGXSU-UHFFFAOYSA-N -1 1 362.390 2.219 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2CCC(O)(c3ccccc3)CC2)c1Cl ZINC000273590807 329877330 /nfs/dbraw/zinc/87/73/30/329877330.db2.gz COSFTLGRKSOTLS-UHFFFAOYSA-N -1 1 369.874 2.182 20 0 FEADMM CCOCCN1CCN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000273927385 329903159 /nfs/dbraw/zinc/90/31/59/329903159.db2.gz HBGXEWSEUXDIPV-UHFFFAOYSA-N -1 1 356.850 2.239 20 0 FEADMM CC[C@@H](CO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000275495656 330055366 /nfs/dbraw/zinc/05/53/66/330055366.db2.gz UBCPKBRRSSXRED-QMMMGPOBSA-N -1 1 350.293 2.004 20 0 FEADMM CC(C)(O)C1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000275534199 330060670 /nfs/dbraw/zinc/06/06/70/330060670.db2.gz FYERTAUZRXISLE-UHFFFAOYSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000275961998 330106793 /nfs/dbraw/zinc/10/67/93/330106793.db2.gz BLKCLXVEKCGPMK-BPLDGKMQSA-N -1 1 355.456 2.166 20 0 FEADMM CCC(O)(CC)CCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000276349228 330143664 /nfs/dbraw/zinc/14/36/64/330143664.db2.gz IGQNJJMBUODZBQ-UHFFFAOYSA-N -1 1 373.475 2.129 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000331803393 330202168 /nfs/dbraw/zinc/20/21/68/330202168.db2.gz XPVDBQCWINQYMB-CQSZACIVSA-N -1 1 361.446 2.193 20 0 FEADMM Cn1cnnc1-c1ccnc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000367123789 330219601 /nfs/dbraw/zinc/21/96/01/330219601.db2.gz XOUNNVSXSYACDW-VQHVLOKHSA-N -1 1 359.386 2.429 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)o1 ZINC000373634317 330246999 /nfs/dbraw/zinc/24/69/99/330246999.db2.gz DWGXDZUXIZYISO-NWDGAFQWSA-N -1 1 366.414 2.393 20 0 FEADMM COCCCO[N-]C(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000805044751 674314824 /nfs/dbraw/zinc/31/48/24/674314824.db2.gz ACKJTHXJIRABBY-SFHVURJKSA-N -1 1 350.415 2.120 20 0 FEADMM COCCCO[N-]C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000805040266 674314611 /nfs/dbraw/zinc/31/46/11/674314611.db2.gz SZXFBOWEKYDKPT-JTQLQIEISA-N -1 1 361.225 2.431 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)CC1 ZINC000805143668 674322962 /nfs/dbraw/zinc/32/29/62/674322962.db2.gz NTJOQNYUQMFKEW-GFCCVEGCSA-N -1 1 368.446 2.493 20 0 FEADMM C[C@H]1CCN(C(=O)NOC2CCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805259824 674328062 /nfs/dbraw/zinc/32/80/62/674328062.db2.gz LOPCOYLDPNMEOD-NHCYSSNCSA-N -1 1 351.369 2.348 20 0 FEADMM O=c1[n-]c(C2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n[nH]1 ZINC000554738202 674333349 /nfs/dbraw/zinc/33/33/49/674333349.db2.gz SYJOJMCSFVLKKH-UHFFFAOYSA-N -1 1 357.336 2.226 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCOc2ccc(SC)cc2)co1 ZINC000805517866 674342166 /nfs/dbraw/zinc/34/21/66/674342166.db2.gz YDDPZZQPDRWYSC-UHFFFAOYSA-N -1 1 371.436 2.145 20 0 FEADMM Cc1nnc(CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1C1CC1 ZINC000805787728 674353951 /nfs/dbraw/zinc/35/39/51/674353951.db2.gz YAFWAZBXDZRCLT-BHDSKKPTSA-N -1 1 359.396 2.199 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N(C)C(C)C)o1 ZINC000555536656 674365216 /nfs/dbraw/zinc/36/52/16/674365216.db2.gz ULFPJNWYXPPRBW-UHFFFAOYSA-N -1 1 351.428 2.285 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000155353049 545516051 /nfs/dbraw/zinc/51/60/51/545516051.db2.gz ACVJVFIRKNNMQU-JGVFFNPUSA-N -1 1 356.810 2.424 20 0 FEADMM CCC[C@H](NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C)c1nn[n-]n1 ZINC000155476827 545530483 /nfs/dbraw/zinc/53/04/83/545530483.db2.gz FYRONBUROLZLEK-ZDUSSCGKSA-N -1 1 355.402 2.178 20 0 FEADMM O=C(c1ccnc(OCc2ccccc2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155599880 545547377 /nfs/dbraw/zinc/54/73/77/545547377.db2.gz FBEGBXPWSFECIF-MRXNPFEDSA-N -1 1 364.409 2.194 20 0 FEADMM O=C(CCCOc1ccc2c(c1)CCC2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155644449 545553605 /nfs/dbraw/zinc/55/36/05/545553605.db2.gz SNHILLQFJFFHBJ-INIZCTEOSA-N -1 1 355.442 2.254 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2OC(C)C)co1 ZINC000155936423 545585224 /nfs/dbraw/zinc/58/52/24/545585224.db2.gz SRWMKXISBQWYPR-UHFFFAOYSA-N -1 1 366.439 2.213 20 0 FEADMM CCCCCc1n[n-]c(=NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)s1 ZINC000488852777 538770824 /nfs/dbraw/zinc/77/08/24/538770824.db2.gz CVBDVMVHUOVAIU-CHWSQXEVSA-N -1 1 355.508 2.190 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nncn3C)c2)c1 ZINC000157007387 545688371 /nfs/dbraw/zinc/68/83/71/545688371.db2.gz YNVKVSSYSRUEHU-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1C[C@H]1c1cnn(-c3ccccc3)c1)c2=O ZINC000477986237 561157513 /nfs/dbraw/zinc/15/75/13/561157513.db2.gz DOKUTXWJUBMDAT-WMLDXEAASA-N -1 1 374.404 2.146 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2c(C)noc2C)o1 ZINC000158810391 545896777 /nfs/dbraw/zinc/89/67/77/545896777.db2.gz WZHKSFWWRXDFER-VIFPVBQESA-N -1 1 356.400 2.143 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)c(F)c1F ZINC000159329161 545943726 /nfs/dbraw/zinc/94/37/26/545943726.db2.gz CAENYTJQUVICBJ-SNVBAGLBSA-N -1 1 357.357 2.056 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)o1 ZINC000479192380 561184015 /nfs/dbraw/zinc/18/40/15/561184015.db2.gz VEJDKDATQIINFD-STQMWFEESA-N -1 1 359.444 2.330 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)o1 ZINC000479212661 561184913 /nfs/dbraw/zinc/18/49/13/561184913.db2.gz SHAOTIQYNOUTRH-LBPRGKRZSA-N -1 1 369.370 2.398 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000479537848 561191626 /nfs/dbraw/zinc/19/16/26/561191626.db2.gz PAUMIWNNRUEFKE-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM O=S(=O)([N-]Cc1ccnc2ccnn21)c1sccc1Br ZINC000479922489 561199646 /nfs/dbraw/zinc/19/96/46/561199646.db2.gz WKWGOCNPZCTXQG-UHFFFAOYSA-N -1 1 373.257 2.032 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1nn[n-]n1 ZINC000176750298 546483208 /nfs/dbraw/zinc/48/32/08/546483208.db2.gz MKQBKODRXYRSSR-INIZCTEOSA-N -1 1 353.430 2.333 20 0 FEADMM CCC[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nn[n-]n1 ZINC000176772271 546486302 /nfs/dbraw/zinc/48/63/02/546486302.db2.gz OXZMZOJJHZMSRF-CQSZACIVSA-N -1 1 369.429 2.215 20 0 FEADMM Cc1nc(-c2ccc(NCC3(S(C)(=O)=O)CCC3)nc2)[n-]c(=O)c1C ZINC000480692116 561214534 /nfs/dbraw/zinc/21/45/34/561214534.db2.gz FWPLRMMAWZDBPN-UHFFFAOYSA-N -1 1 362.455 2.240 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC)C2(CC)CC)o1 ZINC000480874736 561219054 /nfs/dbraw/zinc/21/90/54/561219054.db2.gz YQJXYIRGSORFMY-QWHCGFSZSA-N -1 1 359.444 2.328 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(O)C2)cc1 ZINC000177431027 546615949 /nfs/dbraw/zinc/61/59/49/546615949.db2.gz RHXNHXPABJWWGH-LJQANCHMSA-N -1 1 374.462 2.393 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cc(CC(C)(C)C)n[nH]3)cc2oc1=O ZINC000177752591 546678899 /nfs/dbraw/zinc/67/88/99/546678899.db2.gz BFYYMEBCRROIOB-UHFFFAOYSA-N -1 1 364.427 2.244 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)ccc1F ZINC000178142832 546745835 /nfs/dbraw/zinc/74/58/35/546745835.db2.gz HPIIZEQKSGPTDI-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3nccnc3c2)ccc1[O-] ZINC000481583203 561236657 /nfs/dbraw/zinc/23/66/57/561236657.db2.gz BHQPOGLXIBOFRN-UHFFFAOYSA-N -1 1 358.379 2.095 20 0 FEADMM O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000179019838 546887937 /nfs/dbraw/zinc/88/79/37/546887937.db2.gz FINXYJSXAUPNDE-HNNXBMFYSA-N -1 1 364.398 2.145 20 0 FEADMM O=C(N[C@@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000179050562 546891387 /nfs/dbraw/zinc/89/13/87/546891387.db2.gz KNEJKOZMDURSGZ-OAHLLOKOSA-N -1 1 364.398 2.145 20 0 FEADMM Cc1cc(F)ccc1-n1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nn1 ZINC000179366035 546941749 /nfs/dbraw/zinc/94/17/49/546941749.db2.gz JHMJWTMQCWAXIK-UHFFFAOYSA-N -1 1 355.255 2.104 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c[nH]1 ZINC000481943581 561245844 /nfs/dbraw/zinc/24/58/44/561245844.db2.gz FYCKULMIHRRODH-UHFFFAOYSA-N -1 1 360.338 2.246 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C ZINC000179448204 546956003 /nfs/dbraw/zinc/95/60/03/546956003.db2.gz CLPYBDUJIYABLH-UHFFFAOYSA-N -1 1 360.391 2.443 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)nc1Cl ZINC000179496362 546966070 /nfs/dbraw/zinc/96/60/70/546966070.db2.gz DQKNLFATKXANNP-GWCFXTLKSA-N -1 1 359.234 2.325 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000179537477 546972979 /nfs/dbraw/zinc/97/29/79/546972979.db2.gz SLUBSOBZRMCRHR-UHFFFAOYSA-N -1 1 366.826 2.363 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](CO)C3)cc2)cc1 ZINC000179675176 546996005 /nfs/dbraw/zinc/99/60/05/546996005.db2.gz GVCBJYOJKUQKDR-HNNXBMFYSA-N -1 1 374.462 2.250 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H](Nc3ccccc3)C1)c2=O ZINC000179719424 547003607 /nfs/dbraw/zinc/00/36/07/547003607.db2.gz LGDQRBHDHCBJNA-AWEZNQCLSA-N -1 1 351.410 2.391 20 0 FEADMM CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000482582224 561256323 /nfs/dbraw/zinc/25/63/23/561256323.db2.gz VJJDYXIVKGBSIK-JTQLQIEISA-N -1 1 357.248 2.437 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000181729536 547369247 /nfs/dbraw/zinc/36/92/47/547369247.db2.gz AIHJEGAGQSBJSY-UHFFFAOYSA-N -1 1 368.434 2.195 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2c(C)c(C)nn(C)c2=O)c1 ZINC000182922446 547572796 /nfs/dbraw/zinc/57/27/96/547572796.db2.gz TYKPLLASXZDIBY-UHFFFAOYSA-N -1 1 366.215 2.426 20 0 FEADMM C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000183197956 547618794 /nfs/dbraw/zinc/61/87/94/547618794.db2.gz MXQRPWRQSYGENW-GLEHDBDLSA-N -1 1 363.810 2.404 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nn[n-]n1 ZINC000183450101 547661423 /nfs/dbraw/zinc/66/14/23/547661423.db2.gz KOYXSMZHTJOIHO-LBPRGKRZSA-N -1 1 351.414 2.139 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c1C ZINC000484450501 561298103 /nfs/dbraw/zinc/29/81/03/561298103.db2.gz WEQIVUOUQKRZJX-UHFFFAOYSA-N -1 1 363.439 2.039 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000484579196 561300656 /nfs/dbraw/zinc/30/06/56/561300656.db2.gz YRWQIZWXSSQMQV-UHFFFAOYSA-N -1 1 357.315 2.094 20 0 FEADMM COc1cc(C(=O)[N-]c2ncc(F)cc2I)on1 ZINC000184062293 547762481 /nfs/dbraw/zinc/76/24/81/547762481.db2.gz YCUICRIZVDSCQE-UHFFFAOYSA-N -1 1 363.086 2.074 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1ccc(Br)cc1Cl ZINC000184298185 547802193 /nfs/dbraw/zinc/80/21/93/547802193.db2.gz BQRTZPOCKNUSDQ-UHFFFAOYSA-N -1 1 364.595 2.008 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)c1 ZINC000184675982 547864145 /nfs/dbraw/zinc/86/41/45/547864145.db2.gz PENYKLNNOFJWGU-UHFFFAOYSA-N -1 1 366.464 2.118 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(=O)[nH]n2)sc1Br ZINC000184748956 547874167 /nfs/dbraw/zinc/87/41/67/547874167.db2.gz YXGBTJUDAQEFOQ-UHFFFAOYSA-N -1 1 350.219 2.115 20 0 FEADMM N=c1nc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CC2)s[n-]1 ZINC000485111704 561312704 /nfs/dbraw/zinc/31/27/04/561312704.db2.gz CABVQUQFARIWJC-VXGBXAGGSA-N -1 1 363.874 2.226 20 0 FEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000185125161 547936959 /nfs/dbraw/zinc/93/69/59/547936959.db2.gz ZZFTUAXLEPQHTK-AWEZNQCLSA-N -1 1 370.446 2.163 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(N3CCCCC3)nc2)n1 ZINC000188097440 548272040 /nfs/dbraw/zinc/27/20/40/548272040.db2.gz SZIUPFGBNGUXJL-UHFFFAOYSA-N -1 1 373.482 2.448 20 0 FEADMM O=c1nc(N[C@@H]2CSc3ccc(Br)cc32)nc2[nH][n-]cc1-2 ZINC000486462060 561347811 /nfs/dbraw/zinc/34/78/11/561347811.db2.gz BZPSQKVCHAYGPL-SECBINFHSA-N -1 1 364.228 2.453 20 0 FEADMM COCCN(Cc1ccnn1C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000486482936 561348547 /nfs/dbraw/zinc/34/85/47/561348547.db2.gz PAFSTIISCOCZAN-UHFFFAOYSA-N -1 1 368.441 2.248 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000486498487 561349078 /nfs/dbraw/zinc/34/90/78/561349078.db2.gz JVJJTALZXPHLAM-UHFFFAOYSA-N -1 1 365.407 2.220 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c1 ZINC000486553490 561350568 /nfs/dbraw/zinc/35/05/68/561350568.db2.gz XVNDGHSYTXWMTK-UHFFFAOYSA-N -1 1 350.396 2.463 20 0 FEADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486569845 561351080 /nfs/dbraw/zinc/35/10/80/561351080.db2.gz ACUFMVFUMGLYCF-UHFFFAOYSA-N -1 1 367.358 2.499 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000194641664 548510493 /nfs/dbraw/zinc/51/04/93/548510493.db2.gz YXLNZHMMRZOSKO-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM CN1CCO[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000194733483 548523840 /nfs/dbraw/zinc/52/38/40/548523840.db2.gz QKEJFGNDDLCUQB-VIFPVBQESA-N -1 1 373.689 2.256 20 0 FEADMM CCOCCS(=O)(=O)c1nnc(-c2ccccc2Br)[n-]1 ZINC000195110513 548577869 /nfs/dbraw/zinc/57/78/69/548577869.db2.gz JSHAGXMTXZCQNX-UHFFFAOYSA-N -1 1 360.233 2.044 20 0 FEADMM CCOCCS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000195110513 548577872 /nfs/dbraw/zinc/57/78/72/548577872.db2.gz JSHAGXMTXZCQNX-UHFFFAOYSA-N -1 1 360.233 2.044 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cc1F ZINC000195171601 548589523 /nfs/dbraw/zinc/58/95/23/548589523.db2.gz PXCGTAKBJMUDCA-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1F ZINC000195171601 548589525 /nfs/dbraw/zinc/58/95/25/548589525.db2.gz PXCGTAKBJMUDCA-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1F ZINC000195171601 548589529 /nfs/dbraw/zinc/58/95/29/548589529.db2.gz PXCGTAKBJMUDCA-SNVBAGLBSA-N -1 1 368.434 2.351 20 0 FEADMM O=S(=O)(Cc1nc(C2CC2)no1)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000195211303 548597348 /nfs/dbraw/zinc/59/73/48/548597348.db2.gz HWZFPGRRXJHVDP-UHFFFAOYSA-N -1 1 371.422 2.195 20 0 FEADMM O=S(=O)(Cc1nc(C2CC2)no1)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000195211303 548597351 /nfs/dbraw/zinc/59/73/51/548597351.db2.gz HWZFPGRRXJHVDP-UHFFFAOYSA-N -1 1 371.422 2.195 20 0 FEADMM CC(=O)Nc1cccc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)c1 ZINC000195289629 548613450 /nfs/dbraw/zinc/61/34/50/548613450.db2.gz HBLWJVYZYPFPBF-UHFFFAOYSA-N -1 1 370.434 2.328 20 0 FEADMM CC(=O)Nc1cccc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)c1 ZINC000195289629 548613455 /nfs/dbraw/zinc/61/34/55/548613455.db2.gz HBLWJVYZYPFPBF-UHFFFAOYSA-N -1 1 370.434 2.328 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000195490368 548649549 /nfs/dbraw/zinc/64/95/49/548649549.db2.gz FUAIZUIKEGFXCP-CYBMUJFWSA-N -1 1 370.453 2.099 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(I)c([O-])c1 ZINC000230901421 548762420 /nfs/dbraw/zinc/76/24/20/548762420.db2.gz ARGKAUDBNONUFV-UISBYWKRSA-N -1 1 359.163 2.047 20 0 FEADMM CCC[C@](C)(O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230900186 548763072 /nfs/dbraw/zinc/76/30/72/548763072.db2.gz OKHUHKWDHVHLTM-ZDUSSCGKSA-N -1 1 363.195 2.278 20 0 FEADMM C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230909664 548763116 /nfs/dbraw/zinc/76/31/16/548763116.db2.gz NBCUWBRWXCBLKK-SDBXPKJASA-N -1 1 361.179 2.294 20 0 FEADMM NS(=O)(=O)c1ccc(-c2nc3sc4ccccc4c3c(=O)[n-]2)nc1 ZINC000487510593 561371041 /nfs/dbraw/zinc/37/10/41/561371041.db2.gz GMRMVICGNIKXJP-UHFFFAOYSA-N -1 1 358.404 2.260 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000243275221 548888173 /nfs/dbraw/zinc/88/81/73/548888173.db2.gz KXHHAHOOKSKGCH-UHFFFAOYSA-N -1 1 373.434 2.338 20 0 FEADMM CC(C)[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccc(Cl)c1 ZINC000488713569 561395089 /nfs/dbraw/zinc/39/50/89/561395089.db2.gz MBMZWMHULHBQPJ-LLVKDONJSA-N -1 1 356.835 2.240 20 0 FEADMM CC(C)[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccc(Cl)c1 ZINC000488713569 561395090 /nfs/dbraw/zinc/39/50/90/561395090.db2.gz MBMZWMHULHBQPJ-LLVKDONJSA-N -1 1 356.835 2.240 20 0 FEADMM CC(C)[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccc(Cl)c1 ZINC000488713572 561395110 /nfs/dbraw/zinc/39/51/10/561395110.db2.gz MBMZWMHULHBQPJ-NSHDSACASA-N -1 1 356.835 2.240 20 0 FEADMM CC(C)[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccc(Cl)c1 ZINC000488713572 561395111 /nfs/dbraw/zinc/39/51/11/561395111.db2.gz MBMZWMHULHBQPJ-NSHDSACASA-N -1 1 356.835 2.240 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000246742025 549201604 /nfs/dbraw/zinc/20/16/04/549201604.db2.gz WOYFZWYJPVZWHF-ZSMADZGOSA-N -1 1 351.440 2.323 20 0 FEADMM Cc1nc(-c2ccncc2)[nH]c(=O)c1Cc1nc(C2(N)CCCC2)no1 ZINC000261615894 549734949 /nfs/dbraw/zinc/73/49/49/549734949.db2.gz BGUUHJKUERHGEO-UHFFFAOYSA-N -1 1 352.398 2.254 20 0 FEADMM Cc1cc2cn[nH]c2c(C(=O)N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)c1 ZINC000263243211 549888684 /nfs/dbraw/zinc/88/86/84/549888684.db2.gz UHWSDDMHLZSLTK-YOEHRIQHSA-N -1 1 357.410 2.213 20 0 FEADMM CCOc1ccc(NC(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1OCC ZINC000263332834 549895349 /nfs/dbraw/zinc/89/53/49/549895349.db2.gz LWPBJWFVEDIAOU-KBPBESRZSA-N -1 1 364.442 2.465 20 0 FEADMM CCc1nc([C@@H](C)NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263513225 549906450 /nfs/dbraw/zinc/90/64/50/549906450.db2.gz ZNAWNICCLHVHDC-TZMCWYRMSA-N -1 1 359.430 2.203 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000263865107 549947442 /nfs/dbraw/zinc/94/74/42/549947442.db2.gz VLWOCYVDXYAVRD-UHFFFAOYSA-N -1 1 369.464 2.427 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)n[nH]1 ZINC000268431743 550064807 /nfs/dbraw/zinc/06/48/07/550064807.db2.gz ILDOPWUHUBIKNV-UHFFFAOYSA-N -1 1 373.456 2.410 20 0 FEADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000268450959 550068030 /nfs/dbraw/zinc/06/80/30/550068030.db2.gz AMDVPFVOLYGNBF-UHFFFAOYSA-N -1 1 369.468 2.108 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)cc1CO ZINC000268963561 550138084 /nfs/dbraw/zinc/13/80/84/550138084.db2.gz MBIWNVBDHYPXFA-UHFFFAOYSA-N -1 1 367.423 2.396 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)[C@H](O)c1cccc(F)c1 ZINC000269564039 550207021 /nfs/dbraw/zinc/20/70/21/550207021.db2.gz OCBKUJGFEJLCLY-RNCFNFMXSA-N -1 1 351.403 2.204 20 0 FEADMM Cc1ncc(S(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)s1 ZINC000269981240 550240959 /nfs/dbraw/zinc/24/09/59/550240959.db2.gz NCPUNGGCBQZPMW-LBPRGKRZSA-N -1 1 366.386 2.180 20 0 FEADMM CCC1(CO)CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000270867113 550315366 /nfs/dbraw/zinc/31/53/66/550315366.db2.gz VNLTZPQOGKESHO-UHFFFAOYSA-N -1 1 370.453 2.106 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc(C(C)=O)c(C)n2)c(=O)[n-]1 ZINC000270871476 550315581 /nfs/dbraw/zinc/31/55/81/550315581.db2.gz WJXOUCZXDMBWGP-UHFFFAOYSA-N -1 1 374.466 2.368 20 0 FEADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1OC ZINC000494500180 561470824 /nfs/dbraw/zinc/47/08/24/561470824.db2.gz CRRWDTDTUDHUSK-UHFFFAOYSA-N -1 1 361.782 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCCCSC)CC2)n1 ZINC000277581871 550687605 /nfs/dbraw/zinc/68/76/05/550687605.db2.gz CJVFDAWQRDAQMS-UHFFFAOYSA-N -1 1 354.476 2.221 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(Cl)ccn3)CC2)n1 ZINC000277634382 550694868 /nfs/dbraw/zinc/69/48/68/550694868.db2.gz HEKDRGKNESTLPI-UHFFFAOYSA-N -1 1 363.805 2.050 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1 ZINC000277728231 550706973 /nfs/dbraw/zinc/70/69/73/550706973.db2.gz NVQGSTHZZQIZPI-UHFFFAOYSA-N -1 1 363.443 2.075 20 0 FEADMM COc1cc(C)cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000278520422 550795020 /nfs/dbraw/zinc/79/50/20/550795020.db2.gz OPSGIXHEUWUDJV-UHFFFAOYSA-N -1 1 354.410 2.446 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000278931154 550837319 /nfs/dbraw/zinc/83/73/19/550837319.db2.gz WFMJUUGHVNPQER-LBPRGKRZSA-N -1 1 351.325 2.450 20 0 FEADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@H]1O ZINC000279328498 550878082 /nfs/dbraw/zinc/87/80/82/550878082.db2.gz NHRHOUCZGIQCKN-QGZVFWFLSA-N -1 1 374.462 2.330 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)ccnc1-2 ZINC000279405082 550886282 /nfs/dbraw/zinc/88/62/82/550886282.db2.gz RZGGDTPZAQZTBZ-GRVPHDJPSA-N -1 1 355.373 2.086 20 0 FEADMM COc1ccc([C@H]2[C@H](C(=O)[N-]OCCSC)CCC(=O)N2C)cc1 ZINC000279878509 550938753 /nfs/dbraw/zinc/93/87/53/550938753.db2.gz DYHGXIPJDLQPDL-ZBFHGGJFSA-N -1 1 352.456 2.016 20 0 FEADMM C[C@H]1OCC[C@]12CN(C(=O)c1ccc(Br)cc1[O-])CCO2 ZINC000280107305 550961500 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CN(Cc1ccccc1)C1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000288444232 552154582 /nfs/dbraw/zinc/15/45/82/552154582.db2.gz OZELBRWDACQIHF-UHFFFAOYSA-N -1 1 373.478 2.015 20 0 FEADMM O=c1ccccn1CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000500069738 561565257 /nfs/dbraw/zinc/56/52/57/561565257.db2.gz ZRKJKZLRYVAHBD-UHFFFAOYSA-N -1 1 353.252 2.195 20 0 FEADMM O=C(N[C@H](CO)c1cccc(Cl)c1F)c1nc2ccccc2c(=O)[n-]1 ZINC000500088673 561565685 /nfs/dbraw/zinc/56/56/85/561565685.db2.gz FKMUNACJGAXKBI-CYBMUJFWSA-N -1 1 361.760 2.179 20 0 FEADMM CC[C@H](C)Oc1ccc(NC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000289289558 552295577 /nfs/dbraw/zinc/29/55/77/552295577.db2.gz UJZKNUJUZLGSAX-KMOKPBRQSA-N -1 1 367.409 2.096 20 0 FEADMM O=C(CN1CCCC[C@H]1c1nc(=O)[n-][nH]1)Nc1cc(Cl)ccc1F ZINC000289324038 552301418 /nfs/dbraw/zinc/30/14/18/552301418.db2.gz KFYMDWMXYNTYRJ-LBPRGKRZSA-N -1 1 353.785 2.056 20 0 FEADMM Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289499705 552331491 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Cc1ccc(OCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290256993 552449532 /nfs/dbraw/zinc/44/95/32/552449532.db2.gz AFRVAEWRPUTCND-CYBMUJFWSA-N -1 1 358.360 2.291 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2cc(-c3ccco3)n[nH]2)C1)C(F)(F)F ZINC000290278969 552453201 /nfs/dbraw/zinc/45/32/01/552453201.db2.gz CYQWYMCBYSCSMM-SNVBAGLBSA-N -1 1 370.331 2.200 20 0 FEADMM COCc1cccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290344694 552464141 /nfs/dbraw/zinc/46/41/41/552464141.db2.gz KSKOIXAIEIFHQZ-CYBMUJFWSA-N -1 1 358.360 2.364 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)CCCC1 ZINC000290502398 552489453 /nfs/dbraw/zinc/48/94/53/552489453.db2.gz HTTJUXUOWSCJFE-UHFFFAOYSA-N -1 1 365.411 2.212 20 0 FEADMM CN(C)c1cccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291016171 552576407 /nfs/dbraw/zinc/57/64/07/552576407.db2.gz CXUINGIFVCPSRA-LBPRGKRZSA-N -1 1 357.376 2.283 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@H]2CC(=O)c3ccccc32)C1)C(F)(F)F ZINC000291236383 552604455 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Cn1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C2CC2)n1 ZINC000292114813 552695197 /nfs/dbraw/zinc/69/51/97/552695197.db2.gz TYURSIYNWJIGHE-JTQLQIEISA-N -1 1 373.379 2.220 20 0 FEADMM CCc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1O ZINC000292188267 552702827 /nfs/dbraw/zinc/70/28/27/552702827.db2.gz YTHJSSHUUCAGAM-LLVKDONJSA-N -1 1 358.360 2.485 20 0 FEADMM CCN(C[C@@H](C)OC)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000292247072 552708399 /nfs/dbraw/zinc/70/83/99/552708399.db2.gz ONWDFFNMWVTOAK-CYBMUJFWSA-N -1 1 358.442 2.369 20 0 FEADMM CC(C)(NC(=O)CSc1cccc(Br)c1)c1nn[n-]n1 ZINC000501496798 561598759 /nfs/dbraw/zinc/59/87/59/561598759.db2.gz QHAKYIPSOWWWTO-UHFFFAOYSA-N -1 1 356.249 2.106 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000293416957 552821491 /nfs/dbraw/zinc/82/14/91/552821491.db2.gz IJLMYFCSQVGQSX-NSHDSACASA-N -1 1 363.361 2.105 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c(C(F)(F)F)n1 ZINC000293482456 552828297 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0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2ccccc2F)c(C(F)(F)F)n1 ZINC000294241409 552890463 /nfs/dbraw/zinc/89/04/63/552890463.db2.gz WBJHITLWGPNNGF-UHFFFAOYSA-N -1 1 351.325 2.099 20 0 FEADMM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000295262271 552977826 /nfs/dbraw/zinc/97/78/26/552977826.db2.gz LIWPLIQPNRUAIK-MRVPVSSYSA-N -1 1 371.684 2.184 20 0 FEADMM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295315913 552985870 /nfs/dbraw/zinc/98/58/70/552985870.db2.gz KXZVTZLJIYKYKY-UHFFFAOYSA-N -1 1 370.360 2.043 20 0 FEADMM CC[C@H](CO)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000295706342 553047769 /nfs/dbraw/zinc/04/77/69/553047769.db2.gz BGIVCJYJKSSSAN-MRXNPFEDSA-N -1 1 362.451 2.330 20 0 FEADMM CC[C@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000295902321 553073647 /nfs/dbraw/zinc/07/36/47/553073647.db2.gz XOPGFUZBFSEMBP-MRXNPFEDSA-N -1 1 362.451 2.330 20 0 FEADMM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2c(C)cccc2C)n1C ZINC000296051563 553096599 /nfs/dbraw/zinc/09/65/99/553096599.db2.gz UDETVJIWFBDDKD-UHFFFAOYSA-N -1 1 351.428 2.156 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000502470295 561619322 /nfs/dbraw/zinc/61/93/22/561619322.db2.gz BTEHAEDRAKILBD-UHFFFAOYSA-N -1 1 354.338 2.298 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000502493955 561619737 /nfs/dbraw/zinc/61/97/37/561619737.db2.gz WFHIOHQOHYRVFM-UHFFFAOYSA-N -1 1 363.317 2.382 20 0 FEADMM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000296243147 553128723 /nfs/dbraw/zinc/12/87/23/553128723.db2.gz OXZIEIQGZUAQJJ-QMMMGPOBSA-N -1 1 371.684 2.184 20 0 FEADMM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000296333252 553143106 /nfs/dbraw/zinc/14/31/06/553143106.db2.gz PKYQBMDRRXKKEE-GFCCVEGCSA-N -1 1 362.455 2.212 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@](C)(F)C2)cc1[N-]S(C)(=O)=O ZINC000296985195 553238780 /nfs/dbraw/zinc/23/87/80/553238780.db2.gz RMPCQCWUDQJRHR-HNNXBMFYSA-N -1 1 359.423 2.423 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)NCC(F)(F)F ZINC000298858893 553481579 /nfs/dbraw/zinc/48/15/79/553481579.db2.gz PRLYTIPTBFEYBK-UHFFFAOYSA-N -1 1 371.189 2.012 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OCC(C)C)o1 ZINC000299043433 553507412 /nfs/dbraw/zinc/50/74/12/553507412.db2.gz WMJFDMRZSCZTRE-UHFFFAOYSA-N -1 1 366.439 2.153 20 0 FEADMM CC(C)n1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc21 ZINC000299574732 553583361 /nfs/dbraw/zinc/58/33/61/553583361.db2.gz IKDMMAQQNFCTDY-UHFFFAOYSA-N -1 1 362.411 2.455 20 0 FEADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000504292932 561655635 /nfs/dbraw/zinc/65/56/35/561655635.db2.gz GVQOXXQVEQAABS-UHFFFAOYSA-N -1 1 373.427 2.352 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000504521641 561659297 /nfs/dbraw/zinc/65/92/97/561659297.db2.gz NSFTVJWMHATUNR-UHFFFAOYSA-N -1 1 372.368 2.202 20 0 FEADMM C[C@@H](O)CCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301598420 553664590 /nfs/dbraw/zinc/66/45/90/553664590.db2.gz 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/nfs/dbraw/zinc/82/17/67/561821767.db2.gz QMZSYGCZWOTEBE-SFYZADRCSA-N -1 1 370.254 2.218 20 0 FEADMM COC(=O)Cc1nc(=NC(=O)c2cccnc2Sc2ccccc2)[n-][nH]1 ZINC000609834882 554426686 /nfs/dbraw/zinc/42/66/86/554426686.db2.gz RYJSHYKLMKYWDA-UHFFFAOYSA-N -1 1 369.406 2.319 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCC1(c2ccc(F)cc2)CCCC1 ZINC000509980053 561820568 /nfs/dbraw/zinc/82/05/68/561820568.db2.gz WTGAYTOFKMKKJZ-UHFFFAOYSA-N -1 1 371.412 2.284 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(OC(F)(F)F)cc1 ZINC000509978663 561820573 /nfs/dbraw/zinc/82/05/73/561820573.db2.gz VTAHNVKWEVXOJC-UHFFFAOYSA-N -1 1 355.272 2.054 20 0 FEADMM Cc1ccc(NC(=O)C2CCN(C(=O)c3ncc(C)cc3[O-])CC2)nc1 ZINC000332534954 554465769 /nfs/dbraw/zinc/46/57/69/554465769.db2.gz STKSEAYNGNMGQN-UHFFFAOYSA-N -1 1 354.410 2.290 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)NC1CCCCC1 ZINC000332643361 554489620 /nfs/dbraw/zinc/48/96/20/554489620.db2.gz VWAMFRIMWDVTGW-UHFFFAOYSA-N -1 1 364.389 2.221 20 0 FEADMM C[C@@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@]2(CCCOC2)O1 ZINC000333513801 554620016 /nfs/dbraw/zinc/62/00/16/554620016.db2.gz JLWJKILAKKTABB-QRWLVFNGSA-N -1 1 372.444 3.002 20 0 FEADMM CC[C@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@@]2(CCOC2)O1 ZINC000333603205 554626790 /nfs/dbraw/zinc/62/67/90/554626790.db2.gz WUFFZKSXNIDFFU-OXJNMPFZSA-N -1 1 372.444 3.002 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000348487038 554686399 /nfs/dbraw/zinc/68/63/99/554686399.db2.gz ZVUCMEACHSTCCN-SECBINFHSA-N -1 1 357.267 2.092 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2ccccn2)no1 ZINC000349825200 554744516 /nfs/dbraw/zinc/74/45/16/554744516.db2.gz YBGKHQHHMIIUMZ-SNVBAGLBSA-N -1 1 350.425 2.156 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(CS(=O)(=O)c3ccccc3)no2)c1 ZINC000350608532 554802258 /nfs/dbraw/zinc/80/22/58/554802258.db2.gz KGUYZISQJQQHHI-UHFFFAOYSA-N -1 1 373.390 2.375 20 0 FEADMM CCO[C@@H](c1noc(-c2ccc(S(=O)(=O)[N-]C)o2)n1)c1ccccc1 ZINC000351008555 554829392 /nfs/dbraw/zinc/82/93/92/554829392.db2.gz SMOCKQKALFYOPS-CQSZACIVSA-N -1 1 363.395 2.364 20 0 FEADMM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000361330702 554917237 /nfs/dbraw/zinc/91/72/37/554917237.db2.gz IEYGAFVZVBCQGC-YJBOKZPZSA-N -1 1 364.417 2.181 20 0 FEADMM C[N@H+]1CC[C@H](CNS(=O)(=O)c2c[nH]cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000362483925 554974807 /nfs/dbraw/zinc/97/48/07/554974807.db2.gz IIFAMLYOSCDBJA-IAQYHMDHSA-N -1 1 372.853 2.174 20 0 FEADMM CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC000362688316 554981112 /nfs/dbraw/zinc/98/11/12/554981112.db2.gz LOIUNUXYTOLCKD-JTQLQIEISA-N -1 1 353.377 2.010 20 0 FEADMM O=C(CCc1ccccc1OC(F)(F)F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362781773 554988194 /nfs/dbraw/zinc/98/81/94/554988194.db2.gz PJULYZRCQLCJKC-GFCCVEGCSA-N -1 1 369.347 2.437 20 0 FEADMM COc1ccc(NC(=O)NCCCCSC)cc1[N-]S(C)(=O)=O ZINC000531340618 562442522 /nfs/dbraw/zinc/44/25/22/562442522.db2.gz VXUMKRYGTWYURE-UHFFFAOYSA-N -1 1 361.489 2.331 20 0 FEADMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512039006 561889872 /nfs/dbraw/zinc/88/98/72/561889872.db2.gz CIFYQJFKCYOCSP-INIZCTEOSA-N -1 1 352.394 2.060 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000364117296 555252949 /nfs/dbraw/zinc/25/29/49/555252949.db2.gz JURMOMCAHKIVOX-HNNXBMFYSA-N -1 1 366.483 2.460 20 0 FEADMM CCCC[C@@H](NC(=O)NCC)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616007262 555263131 /nfs/dbraw/zinc/26/31/31/555263131.db2.gz NZHLVLQVBMMIBK-SECBINFHSA-N -1 1 360.256 2.297 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1Br ZINC000616011170 555263349 /nfs/dbraw/zinc/26/33/49/555263349.db2.gz KZAQBEQUJIMMEN-OPRDCNLKSA-N -1 1 355.236 2.114 20 0 FEADMM COC[C@H]1CCCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000364259255 555280121 /nfs/dbraw/zinc/28/01/21/555280121.db2.gz GIGJXUNWEFLNDX-HNNXBMFYSA-N -1 1 360.458 2.259 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 ZINC000365984094 555717302 /nfs/dbraw/zinc/71/73/02/555717302.db2.gz PEUUVOSSDGAIKE-SFHVURJKSA-N -1 1 370.449 2.215 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c1 ZINC000513793833 561950196 /nfs/dbraw/zinc/95/01/96/561950196.db2.gz GEHZGQYETPUEBK-UHFFFAOYSA-N -1 1 371.386 2.343 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@@H]3CC[C@@H](C)C3)CC2)n1 ZINC000366375014 555826548 /nfs/dbraw/zinc/82/65/48/555826548.db2.gz FFKIOQCYZFKSJZ-CHWSQXEVSA-N -1 1 363.462 2.307 20 0 FEADMM CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000366429917 555841157 /nfs/dbraw/zinc/84/11/57/555841157.db2.gz ILKHPNCUCVAIMI-AWEZNQCLSA-N -1 1 365.451 2.288 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@@]4(CCO[C@H]4C)C3)nc2)[n-]c(=O)c1C ZINC000366492882 555859705 /nfs/dbraw/zinc/85/97/05/555859705.db2.gz NRPYCCVKJRLMMT-LIRRHRJNSA-N -1 1 356.426 2.245 20 0 FEADMM O=C(NCCc1ccon1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000513969570 561956666 /nfs/dbraw/zinc/95/66/66/561956666.db2.gz YNGHNFVJZTZMOM-UHFFFAOYSA-N -1 1 371.418 2.448 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2n[nH]nc2-c2ccccc2)s1 ZINC000366647725 555898729 /nfs/dbraw/zinc/89/87/29/555898729.db2.gz IPJFRRVPAFDQKJ-UHFFFAOYSA-N -1 1 352.383 2.274 20 0 FEADMM CC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H]1CCCO1 ZINC000366805122 555938289 /nfs/dbraw/zinc/93/82/89/555938289.db2.gz PNKNLXRJRWEFMB-JKSUJKDBSA-N -1 1 356.426 2.169 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](c3ccccc3)C2)co1 ZINC000366821044 555943398 /nfs/dbraw/zinc/94/33/98/555943398.db2.gz BBOIRCFNBOJALQ-CQSZACIVSA-N -1 1 366.464 2.118 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000367387170 556034981 /nfs/dbraw/zinc/03/49/81/556034981.db2.gz AUQYSRGMEXMPEY-AWEZNQCLSA-N -1 1 358.398 2.371 20 0 FEADMM CCOCCn1cc(C(=O)N=c2[nH][n-]c(CC)c2Br)cn1 ZINC000621895926 556180541 /nfs/dbraw/zinc/18/05/41/556180541.db2.gz ILSSQEUNRCTWRE-UHFFFAOYSA-N -1 1 356.224 2.220 20 0 FEADMM CC(C)c1nccn1C[C@H]1CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000367983988 556187871 /nfs/dbraw/zinc/18/78/71/556187871.db2.gz RNFJQXSKGSGDGQ-CYBMUJFWSA-N -1 1 368.441 2.299 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000515076046 561995300 /nfs/dbraw/zinc/99/53/00/561995300.db2.gz XAVZQRRIMJWAFQ-UHFFFAOYSA-N -1 1 351.428 2.274 20 0 FEADMM CN(C)c1noc(C2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)n1 ZINC000368134759 556227414 /nfs/dbraw/zinc/22/74/14/556227414.db2.gz NHJOCYYZBSDLNH-UHFFFAOYSA-N -1 1 352.341 2.139 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000368152400 556231257 /nfs/dbraw/zinc/23/12/57/556231257.db2.gz PVOBDPGMTODRDF-WCQYABFASA-N -1 1 371.817 2.237 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000368187051 556242655 /nfs/dbraw/zinc/24/26/55/556242655.db2.gz VQTUVDUPNMMRSQ-LQSBQDLSSA-N -1 1 362.392 2.106 20 0 FEADMM O=C(Cc1ccc(O)cc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368501910 556328709 /nfs/dbraw/zinc/32/87/09/556328709.db2.gz KFXLSAAMEOPDSX-OAHLLOKOSA-N -1 1 361.764 2.146 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000368538734 556339116 /nfs/dbraw/zinc/33/91/16/556339116.db2.gz MWMYJYQRNPGXTM-UHFFFAOYSA-N -1 1 364.379 2.362 20 0 FEADMM COCC[C@@H]1CCCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000368766902 556408417 /nfs/dbraw/zinc/40/84/17/556408417.db2.gz VIZFTXWSSYTVNN-HNNXBMFYSA-N -1 1 360.458 2.259 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCc3nnnn3CC2)c1 ZINC000515490493 562012686 /nfs/dbraw/zinc/01/26/86/562012686.db2.gz NHHDHZMOVWDZNQ-SECBINFHSA-N -1 1 366.219 2.041 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368908956 556444847 /nfs/dbraw/zinc/44/48/47/556444847.db2.gz FWRMNRYLOHCWAS-GOSISDBHSA-N -1 1 368.433 2.399 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(F)cc3)no2)no1 ZINC000369136291 556513823 /nfs/dbraw/zinc/51/38/23/556513823.db2.gz CFALYRQSDKUGQN-JTQLQIEISA-N -1 1 366.374 2.353 20 0 FEADMM O=C(c1ccoc1)N1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000369387676 556587314 /nfs/dbraw/zinc/58/73/14/556587314.db2.gz YOLWVIUVYOPBST-UHFFFAOYSA-N -1 1 368.389 2.440 20 0 FEADMM O[C@@H]1CCN(CCN=c2[n-]c(C(F)(F)F)c(Br)s2)C1 ZINC000624682919 556624814 /nfs/dbraw/zinc/62/48/14/556624814.db2.gz YJZLTLGTLVNTOX-ZCFIWIBFSA-N -1 1 360.199 2.403 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3CC(=O)N4CCCC[C@H]34)nc2)[n-]c(=O)c1C ZINC000370286336 556829848 /nfs/dbraw/zinc/82/98/48/556829848.db2.gz UXIFTYWMQDAORF-LSDHHAIUSA-N -1 1 353.426 2.426 20 0 FEADMM CCCC[C@@H](NC(N)=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000370735357 556953664 /nfs/dbraw/zinc/95/36/64/556953664.db2.gz SICHWCOMSNHGEK-MRXNPFEDSA-N -1 1 361.442 2.041 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCn3cc(C)nc3C2)c1Br ZINC000625963817 556962625 /nfs/dbraw/zinc/96/26/25/556962625.db2.gz LIYWPFDGQIFOPW-SECBINFHSA-N -1 1 352.236 2.441 20 0 FEADMM CC(C)(C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000370852697 556991372 /nfs/dbraw/zinc/99/13/72/556991372.db2.gz OPPPCSFOXGCNPR-GFCCVEGCSA-N -1 1 369.347 2.096 20 0 FEADMM CC(C)(C)c1ccc(SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000370860000 556993945 /nfs/dbraw/zinc/99/39/45/556993945.db2.gz IQYJKVOWQZAUAU-CQSZACIVSA-N -1 1 361.471 2.189 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])N1CCCC1 ZINC000517011218 562070946 /nfs/dbraw/zinc/07/09/46/562070946.db2.gz KPNATGTVCYHWDH-JTQLQIEISA-N -1 1 352.378 2.174 20 0 FEADMM O=C(c1ccc(Br)cc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000371024685 557049535 /nfs/dbraw/zinc/04/95/35/557049535.db2.gz HTMNCYVWOFVKKI-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)c2)no1 ZINC000371088135 557071369 /nfs/dbraw/zinc/07/13/69/557071369.db2.gz CJWBGEGDXGKOBS-UHFFFAOYSA-N -1 1 363.351 2.445 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1c1ccc(F)cc1F ZINC000371880932 557318239 /nfs/dbraw/zinc/31/82/39/557318239.db2.gz BTFNBLJQFDOBBI-OLZOCXBDSA-N -1 1 362.332 2.094 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ncc(C)s2)o1 ZINC000372372592 557453361 /nfs/dbraw/zinc/45/33/61/557453361.db2.gz IUTSWYBLMWCGQU-NSHDSACASA-N -1 1 369.468 2.320 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cncc(N3CCCC3=O)c2)c1Br ZINC000627669417 557470206 /nfs/dbraw/zinc/47/02/06/557470206.db2.gz FUSMLZLBQXARDB-UHFFFAOYSA-N -1 1 364.203 2.255 20 0 FEADMM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372651015 557530113 /nfs/dbraw/zinc/53/01/13/557530113.db2.gz QHWMFCLOECRKOI-GDBMZVCRSA-N -1 1 360.454 2.248 20 0 FEADMM NC(=O)c1c[nH]c(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000519559993 562134873 /nfs/dbraw/zinc/13/48/73/562134873.db2.gz QQZYQZNTCNQFCC-UHFFFAOYSA-N -1 1 358.579 2.487 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CCCn2c3ccccc3[nH]c2=O)n[n-]1 ZINC000519579651 562135530 /nfs/dbraw/zinc/13/55/30/562135530.db2.gz CMXRXHNZIJKPRY-UHFFFAOYSA-N -1 1 363.443 2.022 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)C(C)(C)C)CC2)n1 ZINC000373105330 557630084 /nfs/dbraw/zinc/63/00/84/557630084.db2.gz WXOSXHZVYDZTOQ-LLVKDONJSA-N -1 1 351.451 2.305 20 0 FEADMM O=S(=O)([N-]c1cnn(C2CCN(Cc3cccnc3)CC2)c1)C(F)F ZINC000373508030 557707822 /nfs/dbraw/zinc/70/78/22/557707822.db2.gz WWLILAFDNLIBTJ-UHFFFAOYSA-N -1 1 371.413 2.080 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000521037621 562168060 /nfs/dbraw/zinc/16/80/60/562168060.db2.gz LTPSRPDQKNVBFE-QMTHXVAHSA-N -1 1 369.418 2.281 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](F)(c3ccc(F)cc3)C2)co1 ZINC000374211021 557844012 /nfs/dbraw/zinc/84/40/12/557844012.db2.gz MOMIPHBAMMWAJX-MRXNPFEDSA-N -1 1 370.377 2.038 20 0 FEADMM Cc1nc(CO[C@@H]2CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000374903242 557948728 /nfs/dbraw/zinc/94/87/28/557948728.db2.gz OUDNSQNETQCWHB-GFCCVEGCSA-N -1 1 351.394 2.111 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)c(=O)[n-]1 ZINC000375123417 557981112 /nfs/dbraw/zinc/98/11/12/557981112.db2.gz HLMHWYGDCTWTDD-YJBOKZPZSA-N -1 1 365.499 2.467 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)c(=O)[n-]1 ZINC000375123416 557981126 /nfs/dbraw/zinc/98/11/26/557981126.db2.gz HLMHWYGDCTWTDD-QAPCUYQASA-N -1 1 365.499 2.467 20 0 FEADMM CCCCOCCNC(=O)CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375366706 558016154 /nfs/dbraw/zinc/01/61/54/558016154.db2.gz LFEKWQYNSCMRCJ-UHFFFAOYSA-N -1 1 362.470 2.497 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nccn2C(F)F)c(=O)[n-]1 ZINC000521574928 562178995 /nfs/dbraw/zinc/17/89/95/562178995.db2.gz GDXMSTLPPRAZQW-UHFFFAOYSA-N -1 1 357.386 2.053 20 0 FEADMM C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N=c1[n-]nc(-c2ccon2)s1 ZINC000376170549 558136422 /nfs/dbraw/zinc/13/64/22/558136422.db2.gz CXTMEVRCYXODPF-TZMCWYRMSA-N -1 1 356.455 2.911 20 0 FEADMM Cn1ccnc1-c1cccc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000376591864 558194866 /nfs/dbraw/zinc/19/48/66/558194866.db2.gz GBFMYSJIHFOWIX-JLPGSUDCSA-N -1 1 361.409 2.064 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)ccnc1-2 ZINC000376623264 558199203 /nfs/dbraw/zinc/19/92/03/558199203.db2.gz SDZXWMYKEUZJHU-CSZWZMAYSA-N -1 1 372.379 2.020 20 0 FEADMM CC(=O)c1ccc2c(c1)CCN(C(=O)N=c1ccnc3n(C)[n-]cc1-3)CC2 ZINC000376624498 558199217 /nfs/dbraw/zinc/19/92/17/558199217.db2.gz ZGERFGYQWTUSJB-NKFKGCMQSA-N -1 1 363.421 2.177 20 0 FEADMM C[C@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1-n1cccn1 ZINC000376669852 558205969 /nfs/dbraw/zinc/20/59/69/558205969.db2.gz DZZNSEUMAJCCDZ-OTDIFDQJSA-N -1 1 361.409 2.410 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)ccnc1-2 ZINC000376700337 558210416 /nfs/dbraw/zinc/21/04/16/558210416.db2.gz MSAFTPUZTPNDDS-PDNPPFGYSA-N -1 1 364.453 2.080 20 0 FEADMM O=C(c1ccccc1[O-])N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000377114181 558269289 /nfs/dbraw/zinc/26/92/89/558269289.db2.gz BEEWRCSTEBGHQN-UONOGXRCSA-N -1 1 352.390 2.041 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCOC(C)(C)C1 ZINC000377702568 558401370 /nfs/dbraw/zinc/40/13/70/558401370.db2.gz LSICNENTFZXFAO-UHFFFAOYSA-N -1 1 356.426 2.123 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000377857232 558436023 /nfs/dbraw/zinc/43/60/23/558436023.db2.gz RKFRRDCEDKEBTE-HNNXBMFYSA-N -1 1 358.423 2.370 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2C)c1 ZINC000378003784 558460868 /nfs/dbraw/zinc/46/08/68/558460868.db2.gz DAMQYAGVNSSPNU-UHFFFAOYSA-N -1 1 374.422 2.229 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1CCSCC1 ZINC000523457251 562213473 /nfs/dbraw/zinc/21/34/73/562213473.db2.gz OKKJYUZYTABOOU-UHFFFAOYSA-N -1 1 358.467 2.497 20 0 FEADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C2 ZINC000378487114 558567893 /nfs/dbraw/zinc/56/78/93/558567893.db2.gz YKFYZNDSWSFNOV-JTQLQIEISA-N -1 1 373.265 2.323 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)[C@H](C)O1 ZINC000384882591 558605667 /nfs/dbraw/zinc/60/56/67/558605667.db2.gz KDBMRMRRYWPURW-VHSKPIJISA-N -1 1 361.179 2.293 20 0 FEADMM CC[C@@]1(NC(=O)c2ccc(I)c([O-])c2)CCOC1 ZINC000393498709 558621024 /nfs/dbraw/zinc/62/10/24/558621024.db2.gz XLXFIUJBSGGPOM-CYBMUJFWSA-N -1 1 361.179 2.296 20 0 FEADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccc(I)c([O-])c2)O1 ZINC000398090368 558626411 /nfs/dbraw/zinc/62/64/11/558626411.db2.gz XFSJNVZEVOUSCH-SCZZXKLOSA-N -1 1 361.179 2.294 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC(OC(F)F)C1 ZINC000399953184 558628928 /nfs/dbraw/zinc/62/89/28/558628928.db2.gz WAORNQQFXZYMKN-UHFFFAOYSA-N -1 1 369.105 2.060 20 0 FEADMM O=c1nc(N[C@@H]2CCOc3c(Br)cccc32)nc2[nH][n-]cc1-2 ZINC000409647228 558710160 /nfs/dbraw/zinc/71/01/60/558710160.db2.gz WGVNSUVJJYYJLO-SNVBAGLBSA-N -1 1 362.187 2.130 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000410304387 558750621 /nfs/dbraw/zinc/75/06/21/558750621.db2.gz GNYGHHZIIPSQIT-NEPJUHHUSA-N -1 1 366.343 2.839 20 0 FEADMM COc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc(OC)c1 ZINC000525350368 562246415 /nfs/dbraw/zinc/24/64/15/562246415.db2.gz LXZYBOHYZNRMHO-UHFFFAOYSA-N -1 1 356.338 2.014 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000525726216 562253299 /nfs/dbraw/zinc/25/32/99/562253299.db2.gz XYRGEZVBCYHMLR-UHFFFAOYSA-N -1 1 356.407 2.256 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)nn1-c1c(F)cccc1F ZINC000526054340 562265205 /nfs/dbraw/zinc/26/52/05/562265205.db2.gz CXKYFVPKBHQNSD-UHFFFAOYSA-N -1 1 373.367 2.171 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccco2)o1 ZINC000412930815 559065057 /nfs/dbraw/zinc/06/50/57/559065057.db2.gz OFGVDDJQLYBRHE-GHMZBOCLSA-N -1 1 352.412 2.235 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000413779570 559130017 /nfs/dbraw/zinc/13/00/17/559130017.db2.gz UPLMXHPJIZMBJE-WOPDTQHZSA-N -1 1 371.459 2.002 20 0 FEADMM COc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc(Cl)c1[O-] ZINC000413909166 559139405 /nfs/dbraw/zinc/13/94/05/559139405.db2.gz SNPTYFBFLBLMPY-ZDUSSCGKSA-N -1 1 373.858 2.094 20 0 FEADMM CC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](O)C(C)C ZINC000413979720 559144872 /nfs/dbraw/zinc/14/48/72/559144872.db2.gz QTGIAKDEQVNQNB-WMZOPIPTSA-N -1 1 372.469 2.397 20 0 FEADMM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(Br)cc1[O-] ZINC000414014249 559146807 /nfs/dbraw/zinc/14/68/07/559146807.db2.gz DTSMIEOLPVKTQU-LLVKDONJSA-N -1 1 355.232 2.284 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(S(C)(=O)=O)c2)c1 ZINC000414399323 559161670 /nfs/dbraw/zinc/16/16/70/559161670.db2.gz SETGKDANHILXTR-UHFFFAOYSA-N -1 1 369.464 2.462 20 0 FEADMM Cc1nnc(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1C ZINC000414460880 559165567 /nfs/dbraw/zinc/16/55/67/559165567.db2.gz DMOKRSUFAUXCQJ-UHFFFAOYSA-N -1 1 367.233 2.090 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc([C@@H]3CNC(=O)C3)c1)OCO2 ZINC000527035140 562274178 /nfs/dbraw/zinc/27/41/78/562274178.db2.gz ORNZYGXDEOFUKA-ZDUSSCGKSA-N -1 1 374.418 2.128 20 0 FEADMM COc1cc(F)cc(CN[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414653088 559177424 /nfs/dbraw/zinc/17/74/24/559177424.db2.gz HMOZKUOLORLQIB-ZWKOTPCHSA-N -1 1 372.396 2.351 20 0 FEADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NCc2ccc(F)c(F)c2)C1=O ZINC000414655549 559177726 /nfs/dbraw/zinc/17/77/26/559177726.db2.gz JTMWLMHAGJLLTB-DLBZAZTESA-N -1 1 360.360 2.481 20 0 FEADMM Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000414661245 559177759 /nfs/dbraw/zinc/17/77/59/559177759.db2.gz QGFPNVSRNQKQRW-SJLPKXTDSA-N -1 1 370.453 2.185 20 0 FEADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(OC2CCC2)n1 ZINC000527168275 562278779 /nfs/dbraw/zinc/27/87/79/562278779.db2.gz PSXJBUNSVSGWNZ-CYBMUJFWSA-N -1 1 356.430 2.163 20 0 FEADMM CC1(C)CN(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)CCN1 ZINC000415507518 559244855 /nfs/dbraw/zinc/24/48/55/559244855.db2.gz VQQRKMQEUUORMZ-UHFFFAOYSA-N -1 1 351.863 3.074 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)n1 ZINC000415654943 559258529 /nfs/dbraw/zinc/25/85/29/559258529.db2.gz YYVJEYNSQSUOHO-CYBMUJFWSA-N -1 1 350.806 2.481 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000527270481 562283234 /nfs/dbraw/zinc/28/32/34/562283234.db2.gz NLKMTYOPLNNWHB-VQFNDLOPSA-N -1 1 372.446 2.170 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000416134359 559293609 /nfs/dbraw/zinc/29/36/09/559293609.db2.gz OIPSZERODAXLGG-SSDOTTSWSA-N -1 1 357.288 2.406 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000416165850 559295738 /nfs/dbraw/zinc/29/57/38/559295738.db2.gz IKWKMKCZVZUWQT-GXFFZTMASA-N -1 1 361.423 2.215 20 0 FEADMM CCN1CCN(CC(C)(C)NC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000416248318 559300971 /nfs/dbraw/zinc/30/09/71/559300971.db2.gz QUPUVOYNVHKSNT-UHFFFAOYSA-N -1 1 357.857 2.331 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@@](C)(O)C3)c2)c1 ZINC000416281713 559302365 /nfs/dbraw/zinc/30/23/65/559302365.db2.gz IMMBWDWPQBSOIV-UWUNEBHHSA-N -1 1 374.462 2.439 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)OC)CC(F)(F)F ZINC000416605759 559324842 /nfs/dbraw/zinc/32/48/42/559324842.db2.gz YMLKNUQQTKYVTB-SSDOTTSWSA-N -1 1 360.379 2.187 20 0 FEADMM COCCOc1cc2c(cc1CNCc1ccccc1CC(=O)[O-])OCO2 ZINC000417549324 559366654 /nfs/dbraw/zinc/36/66/54/559366654.db2.gz SNUUGVOQONKZAW-UHFFFAOYSA-N -1 1 373.405 2.357 20 0 FEADMM Cc1cnn(C[C@@H](NCc2cccc(F)c2Br)C(=O)[O-])c1 ZINC000417582620 559367689 /nfs/dbraw/zinc/36/76/89/559367689.db2.gz VJUUOBXXINLSLE-GFCCVEGCSA-N -1 1 356.195 2.336 20 0 FEADMM CC(C)[C@@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)N1CCCC1=O ZINC000419913025 559464185 /nfs/dbraw/zinc/46/41/85/559464185.db2.gz LGBRUJNMOXDXMP-KRWDZBQOSA-N -1 1 362.380 2.940 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](C)CC)c(F)c1 ZINC000420703706 559499311 /nfs/dbraw/zinc/49/93/11/559499311.db2.gz HSOSFYKYXWIHHW-LLVKDONJSA-N -1 1 366.480 2.302 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000420738735 559501516 /nfs/dbraw/zinc/50/15/16/559501516.db2.gz ZQBMLGZRQLTPNR-AWEZNQCLSA-N -1 1 371.434 2.356 20 0 FEADMM CC[C@@H]1C[C@@H](NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000421056772 559522191 /nfs/dbraw/zinc/52/21/91/559522191.db2.gz KUAHCUOALLRZHD-QWHCGFSZSA-N -1 1 371.459 2.146 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cccc1CO ZINC000421143974 559526409 /nfs/dbraw/zinc/52/64/09/559526409.db2.gz BFLBVRKCWLHBTO-HNNXBMFYSA-N -1 1 353.415 2.317 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000421164671 559528043 /nfs/dbraw/zinc/52/80/43/559528043.db2.gz KRWDUORYIOOCJF-KRWDZBQOSA-N -1 1 361.467 2.429 20 0 FEADMM CCCN1C[C@H](CNC(=O)c2ccc(Br)c([O-])c2)CC1=O ZINC000421908787 559556095 /nfs/dbraw/zinc/55/60/95/559556095.db2.gz DOKNFODAKBWOHV-JTQLQIEISA-N -1 1 355.232 2.143 20 0 FEADMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](CC)O1 ZINC000421963356 559558446 /nfs/dbraw/zinc/55/84/46/559558446.db2.gz WTUDPLBIQKAKFB-STQMWFEESA-N -1 1 372.487 2.386 20 0 FEADMM CC[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000422121324 559566403 /nfs/dbraw/zinc/56/64/03/559566403.db2.gz FFMXREOMQVABEL-MRXNPFEDSA-N -1 1 362.451 2.297 20 0 FEADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000422576298 559595844 /nfs/dbraw/zinc/59/58/44/559595844.db2.gz WJXLNGVQVLUGTN-UHFFFAOYSA-N -1 1 373.453 2.048 20 0 FEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422640647 559599665 /nfs/dbraw/zinc/59/96/65/559599665.db2.gz BJONNICJPDCPAE-UHFFFAOYSA-N -1 1 358.398 2.003 20 0 FEADMM CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C(=O)[O-] ZINC000424424960 559663955 /nfs/dbraw/zinc/66/39/55/559663955.db2.gz PQYBSQKMPBAYHD-KGLIPLIRSA-N -1 1 363.462 2.318 20 0 FEADMM COC(=O)c1cc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)oc1C ZINC000425145142 559688563 /nfs/dbraw/zinc/68/85/63/559688563.db2.gz SRUBNLJPJCHSKB-UHFFFAOYSA-N -1 1 359.350 2.440 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)N(C)C2CCCCC2)c(F)c1 ZINC000425162770 559689084 /nfs/dbraw/zinc/68/90/84/559689084.db2.gz BHBWXXIHFRFONH-UHFFFAOYSA-N -1 1 360.426 2.343 20 0 FEADMM CCc1n[nH]c(=O)c(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1CC ZINC000425171985 559689506 /nfs/dbraw/zinc/68/95/06/559689506.db2.gz XIYAVGQLPWLJDO-UHFFFAOYSA-N -1 1 371.409 2.372 20 0 FEADMM COC(=O)[C@H]1CSCCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000425266025 559694183 /nfs/dbraw/zinc/69/41/83/559694183.db2.gz GQMVDWLLBYBKGO-GDBMZVCRSA-N -1 1 372.494 2.992 20 0 FEADMM O=C(COCc1cccc(Cl)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293143 559694971 /nfs/dbraw/zinc/69/49/71/559694971.db2.gz BFTVPBPBMQIPBM-LBPRGKRZSA-N -1 1 351.790 2.351 20 0 FEADMM CC(C)(C)c1nnc2ccc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)cn21 ZINC000425297592 559695130 /nfs/dbraw/zinc/69/51/30/559695130.db2.gz IFMJTSPRXVUARB-NSHDSACASA-N -1 1 370.413 2.135 20 0 FEADMM O=C(C[C@H]1CSc2ccccc2O1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425319092 559696466 /nfs/dbraw/zinc/69/64/66/559696466.db2.gz JEGGKUXIWJHEAG-LBPRGKRZSA-N -1 1 361.423 2.425 20 0 FEADMM CCCC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000426364129 559733438 /nfs/dbraw/zinc/73/34/38/559733438.db2.gz FLBKPYYEUHPSTE-QWHCGFSZSA-N -1 1 352.508 2.311 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@]1(C)CO ZINC000427084282 559747373 /nfs/dbraw/zinc/74/73/73/559747373.db2.gz JFZRBXQYNLDUQZ-OXJNMPFZSA-N -1 1 370.453 2.153 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ncc(C)cc3[O-])C2)c1 ZINC000427248721 559751335 /nfs/dbraw/zinc/75/13/35/559751335.db2.gz HOZGHHLZLAUEGG-ZDUSSCGKSA-N -1 1 357.410 2.122 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1ccc(O)cc1 ZINC000427417908 559755058 /nfs/dbraw/zinc/75/50/58/559755058.db2.gz XMLAQWKRCKHEAE-UHFFFAOYSA-N -1 1 350.378 2.117 20 0 FEADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C(C)(C)O ZINC000427465666 559755940 /nfs/dbraw/zinc/75/59/40/559755940.db2.gz IKKCDBRUHWLNHW-UHFFFAOYSA-N -1 1 362.451 2.217 20 0 FEADMM CC(C)(O)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000427632613 559759315 /nfs/dbraw/zinc/75/93/15/559759315.db2.gz FCTONSYQELRTFW-UHFFFAOYSA-N -1 1 366.414 2.014 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1 ZINC000428699944 559781313 /nfs/dbraw/zinc/78/13/13/559781313.db2.gz KMCNRGOUGGMXSG-UHFFFAOYSA-N -1 1 374.466 2.242 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCCCc2ccc(F)cc2)n1 ZINC000429050639 559790119 /nfs/dbraw/zinc/79/01/19/559790119.db2.gz UHMDWFHIBYVSCJ-UHFFFAOYSA-N -1 1 354.407 2.089 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCCCCc2ccc(F)cc2)[n-]1 ZINC000429050639 559790120 /nfs/dbraw/zinc/79/01/20/559790120.db2.gz UHMDWFHIBYVSCJ-UHFFFAOYSA-N -1 1 354.407 2.089 20 0 FEADMM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C(=O)c1ccc(Cl)s1 ZINC000429092941 559790638 /nfs/dbraw/zinc/79/06/38/559790638.db2.gz YEMMTHFGAXEYMI-UHFFFAOYSA-N -1 1 370.770 2.124 20 0 FEADMM COc1cc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)ccc1[N-]S(C)(=O)=O ZINC000429420642 559798251 /nfs/dbraw/zinc/79/82/51/559798251.db2.gz DHDKQDVATODHBV-FZMZJTMJSA-N -1 1 353.444 2.473 20 0 FEADMM O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1csc(=NC2CC2)[n-]1 ZINC000430151095 559814175 /nfs/dbraw/zinc/81/41/75/559814175.db2.gz UAXBGBKHXPGHIF-KBXCAEBGSA-N -1 1 361.442 2.753 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1F ZINC000431183603 559835549 /nfs/dbraw/zinc/83/55/49/559835549.db2.gz PXBKZSKPPTXCAO-UHFFFAOYSA-N -1 1 357.338 2.265 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)o1 ZINC000431643303 559843249 /nfs/dbraw/zinc/84/32/49/559843249.db2.gz AGJLMUYHZUMYPR-AULYBMBSSA-N -1 1 353.371 2.430 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1noc(Cc2ccccc2)n1 ZINC000431907198 559848344 /nfs/dbraw/zinc/84/83/44/559848344.db2.gz NCWJXTCJCKCWTN-LLVKDONJSA-N -1 1 362.386 2.234 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000432630632 559861952 /nfs/dbraw/zinc/86/19/52/559861952.db2.gz DKIGCNZMSGRPTG-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCc2ccc(OC(F)F)cc2)n1 ZINC000432670239 559862732 /nfs/dbraw/zinc/86/27/32/559862732.db2.gz NJIBTIOPZDRLJI-UHFFFAOYSA-N -1 1 371.365 2.206 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)c2cn(-c3cccc(C)c3)nn2)n1 ZINC000432671840 559862868 /nfs/dbraw/zinc/86/28/68/559862868.db2.gz WOBBXJGNOOLEEL-UHFFFAOYSA-N -1 1 357.395 2.060 20 0 FEADMM CCC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OCC ZINC000433472074 559882588 /nfs/dbraw/zinc/88/25/88/559882588.db2.gz UMGRPSISHZBDOW-SECBINFHSA-N -1 1 353.362 2.362 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000433608304 559885069 /nfs/dbraw/zinc/88/50/69/559885069.db2.gz NERUNAIRJOHARV-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM COC(=O)c1[n-]c(=NCc2cc(F)ccc2N2CCOCC2)sc1C ZINC000434094532 559894127 /nfs/dbraw/zinc/89/41/27/559894127.db2.gz XFACGDZARPKQHL-UHFFFAOYSA-N -1 1 365.430 2.826 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(-c4ccccc4)n[nH]3)cc21 ZINC000434973872 559913539 /nfs/dbraw/zinc/91/35/39/559913539.db2.gz WSJSHZFIGPEFKD-UHFFFAOYSA-N -1 1 368.418 2.163 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)c1ccc(C)cc1 ZINC000435225561 559918158 /nfs/dbraw/zinc/91/81/58/559918158.db2.gz JVPSVTSDYDDWJP-AWEZNQCLSA-N -1 1 368.480 2.303 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cn1 ZINC000435723210 559928845 /nfs/dbraw/zinc/92/88/45/559928845.db2.gz QWACLRWDXANKSE-UHFFFAOYSA-N -1 1 352.160 2.262 20 0 FEADMM COC(=O)c1cccc(F)c1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000436182121 559937039 /nfs/dbraw/zinc/93/70/39/559937039.db2.gz ZWWDKYZSBALQGQ-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CN1C[C@H](CN=c2ccc(C(=O)NC3CCCC3)n[n-]2)Cc2ccccc21 ZINC000436470596 559942288 /nfs/dbraw/zinc/94/22/88/559942288.db2.gz SDNOLONBKOAAFN-HNNXBMFYSA-N -1 1 365.481 2.870 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1cncc(Cl)c1 ZINC000436475337 559942406 /nfs/dbraw/zinc/94/24/06/559942406.db2.gz GDCOQQHKBSKYMV-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3cnn(C)c3)s2)c1 ZINC000436503489 559943423 /nfs/dbraw/zinc/94/34/23/559943423.db2.gz GYBFWMGTAFHNFZ-UHFFFAOYSA-N -1 1 358.379 2.288 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000436503253 559943622 /nfs/dbraw/zinc/94/36/22/559943622.db2.gz HFNZKMONTCWWIH-UHFFFAOYSA-N -1 1 367.155 2.294 20 0 FEADMM O=C(N[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436511839 559943907 /nfs/dbraw/zinc/94/39/07/559943907.db2.gz JNLMRISRRQLDFA-PBHICJAKSA-N -1 1 354.406 2.055 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC000436559416 559945450 /nfs/dbraw/zinc/94/54/50/559945450.db2.gz VUDXIFUJSVLYKS-KRWDZBQOSA-N -1 1 357.406 2.491 20 0 FEADMM Cc1noc([C@H](C)NC(=O)c2cc(I)ccc2[O-])n1 ZINC000436622673 559946830 /nfs/dbraw/zinc/94/68/30/559946830.db2.gz DZDGAMOQFVCFGD-LURJTMIESA-N -1 1 373.150 2.179 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(Br)cc1[O-] ZINC000436661372 559948037 /nfs/dbraw/zinc/94/80/37/559948037.db2.gz FSYBXYUMVUWPQP-MRVPVSSYSA-N -1 1 370.121 2.379 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)ccc1O ZINC000436669639 559948331 /nfs/dbraw/zinc/94/83/31/559948331.db2.gz ATYZPTILTILTCY-UHFFFAOYSA-N -1 1 367.354 2.321 20 0 FEADMM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436685464 559948816 /nfs/dbraw/zinc/94/88/16/559948816.db2.gz CGDNBUBDLPIXOX-HNNXBMFYSA-N -1 1 374.393 2.254 20 0 FEADMM C[C@@]1(c2ccc(CNC(=O)c3cc(Cl)ccc3[O-])cc2)NC(=O)NC1=O ZINC000436700484 559949103 /nfs/dbraw/zinc/94/91/03/559949103.db2.gz WGAGYHSKBWCLDJ-SFHVURJKSA-N -1 1 373.796 2.030 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000436711041 559949627 /nfs/dbraw/zinc/94/96/27/559949627.db2.gz CLALDHQIJHRDRG-IUCAKERBSA-N -1 1 366.418 2.338 20 0 FEADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1NS(C)(=O)=O ZINC000436754102 559950987 /nfs/dbraw/zinc/95/09/87/559950987.db2.gz HGZCLXKNRGJHNX-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000436770936 559951491 /nfs/dbraw/zinc/95/14/91/559951491.db2.gz RCUILEASLYKKJR-LBPRGKRZSA-N -1 1 372.899 2.136 20 0 FEADMM COc1cc(NC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1NC(N)=O ZINC000436788117 559952117 /nfs/dbraw/zinc/95/21/17/559952117.db2.gz TYHDRHODAAPWDZ-UHFFFAOYSA-N -1 1 358.354 2.102 20 0 FEADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)N1CCN(c2ccccc2)CC1 ZINC000436820544 559953007 /nfs/dbraw/zinc/95/30/07/559953007.db2.gz RUGYEQFNSVCCRW-HNNXBMFYSA-N -1 1 357.429 2.472 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCOc3c(Cl)cccc32)c1 ZINC000436849015 559954070 /nfs/dbraw/zinc/95/40/70/559954070.db2.gz YFICRTNQTYUCEX-UHFFFAOYSA-N -1 1 369.782 2.332 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](OCCN2CCOCC2)C1 ZINC000436888662 559955458 /nfs/dbraw/zinc/95/54/58/559955458.db2.gz VKXMDMIROXVYBP-KRWDZBQOSA-N -1 1 370.449 2.109 20 0 FEADMM CCOC(=O)c1cnc(C)c(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000436930817 559956955 /nfs/dbraw/zinc/95/69/55/559956955.db2.gz IQXXKPZTYPQHSM-UHFFFAOYSA-N -1 1 357.366 2.483 20 0 FEADMM COc1ccccc1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1noc(C)n1 ZINC000436954379 559957217 /nfs/dbraw/zinc/95/72/17/559957217.db2.gz GEHFLRCVCWPAPC-INIZCTEOSA-N -1 1 367.361 2.181 20 0 FEADMM COc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ncc1Br ZINC000436982603 559958666 /nfs/dbraw/zinc/95/86/66/559958666.db2.gz VJFSITLZXWCJEM-UHFFFAOYSA-N -1 1 351.156 2.380 20 0 FEADMM O=C(C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)c1ccc([O-])cc1 ZINC000436991835 559958716 /nfs/dbraw/zinc/95/87/16/559958716.db2.gz UTPCYXIBTUIHSG-KRWDZBQOSA-N -1 1 370.449 2.216 20 0 FEADMM O=C(NCCOc1ncccc1C(F)(F)F)c1csc(=NC2CC2)[n-]1 ZINC000438373021 559978272 /nfs/dbraw/zinc/97/82/72/559978272.db2.gz CLPIIVBOGNMMRS-UHFFFAOYSA-N -1 1 372.372 2.940 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1 ZINC000438752789 559983078 /nfs/dbraw/zinc/98/30/78/559983078.db2.gz GRIWHWICAHOXOV-UHFFFAOYSA-N -1 1 369.464 2.082 20 0 FEADMM COc1ccc(NC(=O)c2c(F)ccc(O)c2F)cc1[N-]S(C)(=O)=O ZINC000438764847 559983137 /nfs/dbraw/zinc/98/31/37/559983137.db2.gz GOOOMBPVODJVKA-UHFFFAOYSA-N -1 1 372.349 2.303 20 0 FEADMM COc1cc(NC(=O)CC[C@H]2CC[C@@H](C)O2)ccc1[N-]S(C)(=O)=O ZINC000438969605 559986457 /nfs/dbraw/zinc/98/64/57/559986457.db2.gz SJUHGMFXLPYTRF-DGCLKSJQSA-N -1 1 356.444 2.353 20 0 FEADMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000439062924 559987970 /nfs/dbraw/zinc/98/79/70/559987970.db2.gz ZCEVPCOLSVGAMX-NSHDSACASA-N -1 1 372.377 2.032 20 0 FEADMM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000439150832 559989162 /nfs/dbraw/zinc/98/91/62/559989162.db2.gz IMYQUACVMYGWTL-LLVKDONJSA-N -1 1 365.459 2.225 20 0 FEADMM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000439150832 559989163 /nfs/dbraw/zinc/98/91/63/559989163.db2.gz IMYQUACVMYGWTL-LLVKDONJSA-N -1 1 365.459 2.225 20 0 FEADMM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000442768789 560056871 /nfs/dbraw/zinc/05/68/71/560056871.db2.gz MFNODWYKJVJDJX-BMFZPTHFSA-N -1 1 369.483 2.036 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C(C)(C)c1ccc(CC)cc1 ZINC000443351448 560081488 /nfs/dbraw/zinc/08/14/88/560081488.db2.gz NFLXCCKWERGLMQ-UHFFFAOYSA-N -1 1 365.455 2.362 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)o1 ZINC000443493605 560085559 /nfs/dbraw/zinc/08/55/59/560085559.db2.gz RPMSCFVSGVEVAE-OLZOCXBDSA-N -1 1 359.444 2.066 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000444346284 560110424 /nfs/dbraw/zinc/11/04/24/560110424.db2.gz UTWXAOGUHWAKBB-UHFFFAOYSA-N -1 1 366.361 2.347 20 0 FEADMM CCC(=O)N1CSC[C@@H]1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444787760 560120836 /nfs/dbraw/zinc/12/08/36/560120836.db2.gz SADMSHJKJSBSCS-CQSZACIVSA-N -1 1 362.430 2.774 20 0 FEADMM CN(Cc1nc(-c2ccc([O-])c(F)c2)no1)S(=O)(=O)c1ccccc1 ZINC000445478218 560132394 /nfs/dbraw/zinc/13/23/94/560132394.db2.gz GCHKZFHNESYKTE-UHFFFAOYSA-N -1 1 363.370 2.402 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1F ZINC000446144548 560140682 /nfs/dbraw/zinc/14/06/82/560140682.db2.gz CULJHRVULJZYHY-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000446159251 560140871 /nfs/dbraw/zinc/14/08/71/560140871.db2.gz YRYHBVPXNDAAIY-SRVKXCTJSA-N -1 1 371.459 2.096 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(C4CCC4)cc3)cc2[nH]c1=O ZINC000447272355 560159167 /nfs/dbraw/zinc/15/91/67/560159167.db2.gz CDSSOEDFQVYWIU-UHFFFAOYSA-N -1 1 371.418 2.285 20 0 FEADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1C ZINC000447269068 560159246 /nfs/dbraw/zinc/15/92/46/560159246.db2.gz ZBBUDHFPTHYLDT-UHFFFAOYSA-N -1 1 364.423 2.220 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2noc(-c3cccs3)n2)n1 ZINC000447503872 560163378 /nfs/dbraw/zinc/16/33/78/560163378.db2.gz IESCVLURVFHSAT-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2noc(-c3cccs3)n2)n[n-]1 ZINC000447503872 560163379 /nfs/dbraw/zinc/16/33/79/560163379.db2.gz IESCVLURVFHSAT-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3CC(F)(F)C3)c2)n1 ZINC000447673377 560166595 /nfs/dbraw/zinc/16/65/95/560166595.db2.gz XXIJSLMMNTUHBS-UHFFFAOYSA-N -1 1 364.352 2.310 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](C)C(F)(F)F)c2)n1 ZINC000447677482 560166769 /nfs/dbraw/zinc/16/67/69/560166769.db2.gz GHDOHKNUEPYNOA-SECBINFHSA-N -1 1 370.331 2.463 20 0 FEADMM CN1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(O)c(F)c3)cc2)CC1 ZINC000448710824 560195830 /nfs/dbraw/zinc/19/58/30/560195830.db2.gz VPTLSACEMGZCQD-UHFFFAOYSA-N -1 1 371.456 2.138 20 0 FEADMM COc1ccc(NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000527817426 562305007 /nfs/dbraw/zinc/30/50/07/562305007.db2.gz ACISPAGSYROEFH-VEABSNGSSA-N -1 1 356.444 2.065 20 0 FEADMM CCOC(=O)c1csc(=NCC2(N3CCOCC3)CCCCC2)[n-]1 ZINC000450216458 560254226 /nfs/dbraw/zinc/25/42/26/560254226.db2.gz NURHSSQHBLXPJW-UHFFFAOYSA-N -1 1 353.488 2.767 20 0 FEADMM O=S(=O)([N-]CCN1CCOCC1)c1sc2ccccc2c1Cl ZINC000450964323 560280178 /nfs/dbraw/zinc/28/01/78/560280178.db2.gz FOOFIXIJQLTXHX-UHFFFAOYSA-N -1 1 360.888 2.165 20 0 FEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000451112030 560287667 /nfs/dbraw/zinc/28/76/67/560287667.db2.gz GHELHWZUTJLOAM-UHFFFAOYSA-N -1 1 354.407 2.189 20 0 FEADMM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1=O ZINC000451265429 560296866 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CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(C)C ZINC000451835713 560331535 /nfs/dbraw/zinc/33/15/35/560331535.db2.gz KJNBKAJKMNPLLK-ZDUSSCGKSA-N -1 1 353.362 2.358 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@H](C)O ZINC000451896383 560335603 /nfs/dbraw/zinc/33/56/03/560335603.db2.gz SBELEBBAVZNACF-WKEGUHRASA-N -1 1 358.204 2.165 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)o1 ZINC000452189853 560355114 /nfs/dbraw/zinc/35/51/14/560355114.db2.gz LJBLVJDTZFFYJB-CYBMUJFWSA-N -1 1 370.377 2.273 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000453034004 560381906 /nfs/dbraw/zinc/38/19/06/560381906.db2.gz UNPGIFXTQUWSOQ-MPKXVKKWSA-N -1 1 370.243 2.157 20 0 FEADMM CCC[C@@H](CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)OC ZINC000454772910 560457704 /nfs/dbraw/zinc/45/77/04/560457704.db2.gz LWFFPCROVIYBST-LBPRGKRZSA-N -1 1 359.448 2.003 20 0 FEADMM CSc1ccc([C@H](CNC(=O)N=c2nc3ccccn3[n-]2)N(C)C)cc1 ZINC000455107563 560470472 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Cc1ccc(OCc2nc(CC(=O)NC(C)(C)c3nn[n-]n3)cs2)cc1 ZINC000461644958 560778770 /nfs/dbraw/zinc/77/87/70/560778770.db2.gz GLKHIBFESVRHEO-UHFFFAOYSA-N -1 1 372.454 2.138 20 0 FEADMM COc1cc(NC(=O)NC[C@H]2CCCS2)ccc1[N-]S(C)(=O)=O ZINC000465250101 560861331 /nfs/dbraw/zinc/86/13/31/560861331.db2.gz KPHQVMPHECQXRM-LLVKDONJSA-N -1 1 359.473 2.084 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2CCCS2)ccc1[N-]S(C)(=O)=O ZINC000465250102 560861388 /nfs/dbraw/zinc/86/13/88/560861388.db2.gz KPHQVMPHECQXRM-NSHDSACASA-N -1 1 359.473 2.084 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)ccc1C ZINC000466893360 560898616 /nfs/dbraw/zinc/89/86/16/560898616.db2.gz FHWLVHGGHISSFZ-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)ccc1C ZINC000467085758 560903395 /nfs/dbraw/zinc/90/33/95/560903395.db2.gz PWNWALBQTLPHSI-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM Cc1cccc2c(CCC(=O)N3CCN(c4nc(=N)[n-]s4)CC3)c[nH]c21 ZINC000467872569 560919131 /nfs/dbraw/zinc/91/91/31/560919131.db2.gz 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2.039 20 0 FEADMM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1ccc(Br)o1 ZINC000472707543 561033454 /nfs/dbraw/zinc/03/34/54/561033454.db2.gz GQDGIWUILPEAAN-QMMMGPOBSA-N -1 1 352.231 2.116 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000473290447 561046758 /nfs/dbraw/zinc/04/67/58/561046758.db2.gz GGZUXQOVINJSMS-ZETCQYMHSA-N -1 1 357.288 2.406 20 0 FEADMM COc1ccccc1C1(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCCC1 ZINC000473326878 561047534 /nfs/dbraw/zinc/04/75/34/561047534.db2.gz MJYPCHZFCPNUBF-UHFFFAOYSA-N -1 1 373.409 2.147 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)ccc1NC(N)=O ZINC000474312109 561070900 /nfs/dbraw/zinc/07/09/00/561070900.db2.gz SRQPHJVMIHDASB-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000475119701 561090948 /nfs/dbraw/zinc/09/09/48/561090948.db2.gz NAVXNAKUTUUHEO-UHFFFAOYSA-N -1 1 369.335 2.442 20 0 FEADMM CO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475722767 561103408 /nfs/dbraw/zinc/10/34/08/561103408.db2.gz LVISECNXHWSCKY-LBPRGKRZSA-N -1 1 366.414 2.278 20 0 FEADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccn[nH]1 ZINC000475726444 561103513 /nfs/dbraw/zinc/10/35/13/561103513.db2.gz TYTUAMKWVKANFD-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccc(OC)cc1 ZINC000475777312 561105048 /nfs/dbraw/zinc/10/50/48/561105048.db2.gz FLABEMAYNZDWMJ-HNNXBMFYSA-N -1 1 367.398 2.335 20 0 FEADMM CCCN(C(=O)CNC(=O)c1ncccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000475949539 561108370 /nfs/dbraw/zinc/10/83/70/561108370.db2.gz AQRYIJHCXPSLNM-OAHLLOKOSA-N -1 1 368.437 2.228 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccc1C ZINC000476399487 561118566 /nfs/dbraw/zinc/11/85/66/561118566.db2.gz SGGOUCFLKLYMKT-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM COc1cccc([C@@H](C[N-]S(=O)(=O)c2nc(C)c(C)s2)OC)c1 ZINC000528445980 562329701 /nfs/dbraw/zinc/32/97/01/562329701.db2.gz CEXQHKIGVGNPCD-CQSZACIVSA-N -1 1 356.469 2.435 20 0 FEADMM CCn1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000528445675 562329739 /nfs/dbraw/zinc/32/97/39/562329739.db2.gz HOGDCBSMHGUONF-UHFFFAOYSA-N -1 1 368.768 2.449 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000528560391 562336452 /nfs/dbraw/zinc/33/64/52/562336452.db2.gz JVYRQXLRAQFXBI-UHFFFAOYSA-N -1 1 350.440 2.360 20 0 FEADMM Cc1cccc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1Br ZINC000528882811 562351459 /nfs/dbraw/zinc/35/14/59/562351459.db2.gz NQIJZPAOZKVQOH-GFCCVEGCSA-N -1 1 364.247 2.219 20 0 FEADMM Cc1oc(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc1S(C)(=O)=O ZINC000529014259 562356634 /nfs/dbraw/zinc/35/66/34/562356634.db2.gz DVLCNPYDTUNCMC-UHFFFAOYSA-N -1 1 352.416 2.341 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000529782513 562385359 /nfs/dbraw/zinc/38/53/59/562385359.db2.gz GFGSIQAZGBCZMI-VLIAUNLRSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC3COC3)cc2)c1 ZINC000530111827 562398713 /nfs/dbraw/zinc/39/87/13/562398713.db2.gz HQFCZPMEBXUSKU-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCN1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC000530172838 562401349 /nfs/dbraw/zinc/40/13/49/562401349.db2.gz AZZZPNMSWBJAMS-ZIAGYGMSSA-N -1 1 369.483 2.433 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)c1nccs1 ZINC000530374733 562408893 /nfs/dbraw/zinc/40/88/93/562408893.db2.gz BDJHCZWCEJMHCV-NSHDSACASA-N -1 1 358.416 2.498 20 0 FEADMM CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530385513 562409246 /nfs/dbraw/zinc/40/92/46/562409246.db2.gz OKNCTRFZAUXASO-UHFFFAOYSA-N -1 1 357.234 2.278 20 0 FEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)c1nn[n-]n1)O[C@H](C)C2 ZINC000530619796 562418017 /nfs/dbraw/zinc/41/80/17/562418017.db2.gz ACXDODOISDGRGN-SCDSUCTJSA-N -1 1 371.441 2.077 20 0 FEADMM COc1ccc(NC(=O)NCc2ncc(C)s2)cc1[N-]S(C)(=O)=O ZINC000531101306 562434730 /nfs/dbraw/zinc/43/47/30/562434730.db2.gz DEFRCODXMNQBNR-UHFFFAOYSA-N -1 1 370.456 2.153 20 0 FEADMM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2)c1 ZINC000532495457 562479447 /nfs/dbraw/zinc/47/94/47/562479447.db2.gz FVNLDMXDCKLNIW-CYBMUJFWSA-N -1 1 367.496 2.326 20 0 FEADMM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000532677577 562485345 /nfs/dbraw/zinc/48/53/45/562485345.db2.gz ZDTJUBQZIIQLJZ-MRVPVSSYSA-N -1 1 352.188 2.384 20 0 FEADMM O=C([O-])C1(NCC(=O)N2CCC(OCc3ccccc3)CC2)CCCC1 ZINC000532711505 562486275 /nfs/dbraw/zinc/48/62/75/562486275.db2.gz DTDNQRWPRKJHIA-UHFFFAOYSA-N -1 1 360.454 2.181 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000532711493 562486305 /nfs/dbraw/zinc/48/63/05/562486305.db2.gz DEPMPOBXWVXPQE-SNVBAGLBSA-N -1 1 356.325 2.133 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])c(C)o1 ZINC000532843590 562490403 /nfs/dbraw/zinc/49/04/03/562490403.db2.gz IOIPMJSJQWOWFE-UHFFFAOYSA-N -1 1 367.379 2.490 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2Br)o1 ZINC000532931753 562492901 /nfs/dbraw/zinc/49/29/01/562492901.db2.gz CAVWRMIBSPMSNC-MRVPVSSYSA-N -1 1 360.233 2.488 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](CO)Cc2c[nH]c3ccccc23)sc1C ZINC000533092728 562498039 /nfs/dbraw/zinc/49/80/39/562498039.db2.gz PISJTBDIKLHXFT-ZDUSSCGKSA-N -1 1 365.480 2.123 20 0 FEADMM C[C@@H](C(=O)[O-])N(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000533189957 562500961 /nfs/dbraw/zinc/50/09/61/562500961.db2.gz YBZOGNXBCQXFTO-QMMMGPOBSA-N -1 1 352.188 2.384 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000533572947 562513518 /nfs/dbraw/zinc/51/35/18/562513518.db2.gz CYCVHACROCKMDT-CQSZACIVSA-N -1 1 352.398 2.194 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1S(C)(=O)=O ZINC000533952381 562522218 /nfs/dbraw/zinc/52/22/18/562522218.db2.gz SHIKXCLEGMZBTR-UHFFFAOYSA-N -1 1 367.448 2.230 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])o1 ZINC000535594499 562562213 /nfs/dbraw/zinc/56/22/13/562562213.db2.gz VTHODJFGHJGBIZ-UHFFFAOYSA-N -1 1 371.342 2.403 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)co1 ZINC000535897556 562570532 /nfs/dbraw/zinc/57/05/32/562570532.db2.gz YLZFDSXDVCWWAU-ONGXEEELSA-N -1 1 368.377 2.286 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1C ZINC000536457984 562575978 /nfs/dbraw/zinc/57/59/78/562575978.db2.gz CCWUCIFUPXXDHK-UHFFFAOYSA-N -1 1 374.418 2.339 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC(=O)CC1 ZINC000536560635 562579261 /nfs/dbraw/zinc/57/92/61/562579261.db2.gz PGFORYWEWTZKOV-UHFFFAOYSA-N -1 1 358.419 2.293 20 0 FEADMM CSc1cc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)ccn1 ZINC000536852909 562581490 /nfs/dbraw/zinc/58/14/90/562581490.db2.gz RYDKGYBRYFOYMS-UHFFFAOYSA-N -1 1 371.466 2.418 20 0 FEADMM CSc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1C ZINC000536991554 562583679 /nfs/dbraw/zinc/58/36/79/562583679.db2.gz SGIDYNQFNLGGSA-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000537037751 562584436 /nfs/dbraw/zinc/58/44/36/562584436.db2.gz YHBMJKHHKNGACB-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM C[C@@H](CSc1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540805709 562593592 /nfs/dbraw/zinc/59/35/92/562593592.db2.gz PZTCUEZXPCBVLR-NSHDSACASA-N -1 1 366.464 2.407 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C)CCO[C@@H]1C ZINC000541501541 562613532 /nfs/dbraw/zinc/61/35/32/562613532.db2.gz UBKDBUJTPPVVET-YJYMSZOUSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CCO[C@H](C)C2)no1 ZINC000545805823 562630526 /nfs/dbraw/zinc/63/05/26/562630526.db2.gz PHXVTPVDAUNTHO-BXUZGUMPSA-N -1 1 367.409 2.397 20 0 FEADMM O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000549733141 562638776 /nfs/dbraw/zinc/63/87/76/562638776.db2.gz YNMBMTVZVOPYDN-NSHDSACASA-N -1 1 357.345 2.120 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)C1(CO)CCOCC1)c1cc2ccccc2o1 ZINC000549931973 562641287 /nfs/dbraw/zinc/64/12/87/562641287.db2.gz KARDQWZWQVLSPX-KRWDZBQOSA-N -1 1 365.451 2.279 20 0 FEADMM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000601749353 567834888 /nfs/dbraw/zinc/83/48/88/567834888.db2.gz LXJUUYWRTXKTES-MEBBXXQBSA-N -1 1 361.316 2.204 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2ccc(C)c(C(F)(F)F)c2)n[n-]1 ZINC000603022727 568052670 /nfs/dbraw/zinc/05/26/70/568052670.db2.gz PMVUTWHEEZAKRN-UHFFFAOYSA-N -1 1 356.304 2.239 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000603022727 568052671 /nfs/dbraw/zinc/05/26/71/568052671.db2.gz PMVUTWHEEZAKRN-UHFFFAOYSA-N -1 1 356.304 2.239 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)n[n-]1 ZINC000603153713 568065336 /nfs/dbraw/zinc/06/53/36/568065336.db2.gz JOFYKWUBCWVNJV-PIHIASKNSA-N -1 1 354.410 2.281 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)[n-]1 ZINC000603153713 568065337 /nfs/dbraw/zinc/06/53/37/568065337.db2.gz JOFYKWUBCWVNJV-PIHIASKNSA-N -1 1 354.410 2.281 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C23CC(c4ccccc4)(C2)C3)n1 ZINC000603153713 568065338 /nfs/dbraw/zinc/06/53/38/568065338.db2.gz JOFYKWUBCWVNJV-PIHIASKNSA-N -1 1 354.410 2.281 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)(C(=O)OC)c1ccccc1 ZINC000603281009 568082348 /nfs/dbraw/zinc/08/23/48/568082348.db2.gz GJDRTVDAPNGGME-LSDHHAIUSA-N -1 1 361.410 2.430 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1cc(C)cc(C)c1 ZINC000603310057 568084657 /nfs/dbraw/zinc/08/46/57/568084657.db2.gz OPMWAIFIPFVGBW-HIFRSBDPSA-N -1 1 361.410 2.482 20 0 FEADMM Cc1cc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[nH]n1 ZINC000603490371 568106977 /nfs/dbraw/zinc/10/69/77/568106977.db2.gz LYRMAIIXUVZPQN-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000603546231 568117862 /nfs/dbraw/zinc/11/78/62/568117862.db2.gz FSHRHBKZFVDCHH-IJEWVQPXSA-N -1 1 355.348 2.487 20 0 FEADMM CN(Cc1cn[nH]c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000603813216 568144772 /nfs/dbraw/zinc/14/47/72/568144772.db2.gz CTUNJZZQAWYMND-UHFFFAOYSA-N -1 1 370.434 2.483 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1C(=O)N(C)C ZINC000604304049 568246930 /nfs/dbraw/zinc/24/69/30/568246930.db2.gz GTHVKQSRQRFWBX-UHFFFAOYSA-N -1 1 374.422 2.074 20 0 FEADMM COc1cccc(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000563126858 568258564 /nfs/dbraw/zinc/25/85/64/568258564.db2.gz USJXDEGTAIUXCU-MSOLQXFVSA-N -1 1 354.406 2.434 20 0 FEADMM COc1cccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000563126858 568258565 /nfs/dbraw/zinc/25/85/65/568258565.db2.gz USJXDEGTAIUXCU-MSOLQXFVSA-N -1 1 354.406 2.434 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccnc2-c2cnn(C)c2)c1 ZINC000647747834 568398384 /nfs/dbraw/zinc/39/83/84/568398384.db2.gz FFWMQPYFIYKMGX-UHFFFAOYSA-N -1 1 351.366 2.398 20 0 FEADMM c1cn(Cc2ccccn2)nc1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738432770 598966406 /nfs/dbraw/zinc/96/64/06/598966406.db2.gz LOXDSQIQSNANIS-UHFFFAOYSA-N -1 1 370.380 2.193 20 0 FEADMM c1cn(Cc2ccccn2)nc1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738432770 598966408 /nfs/dbraw/zinc/96/64/08/598966408.db2.gz LOXDSQIQSNANIS-UHFFFAOYSA-N -1 1 370.380 2.193 20 0 FEADMM CN(CCN(C)c1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000736798653 598967245 /nfs/dbraw/zinc/96/72/45/598967245.db2.gz DXWHAVPEPARBPM-UHFFFAOYSA-N -1 1 360.425 2.383 20 0 FEADMM CN(CCN(C)c1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736798653 598967246 /nfs/dbraw/zinc/96/72/46/598967246.db2.gz DXWHAVPEPARBPM-UHFFFAOYSA-N -1 1 360.425 2.383 20 0 FEADMM O=C(OCc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738235957 598985798 /nfs/dbraw/zinc/98/57/98/598985798.db2.gz CRWQACVGIKRIFM-UHFFFAOYSA-N -1 1 359.729 2.001 20 0 FEADMM O=C(OCc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738235957 598985800 /nfs/dbraw/zinc/98/58/00/598985800.db2.gz CRWQACVGIKRIFM-UHFFFAOYSA-N -1 1 359.729 2.001 20 0 FEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)c1cccc(OC)c1 ZINC000736505034 598989356 /nfs/dbraw/zinc/98/93/56/598989356.db2.gz GBBFBGNTPBAVAM-GFCCVEGCSA-N -1 1 352.398 2.494 20 0 FEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)c1cccc(OC)c1 ZINC000736505034 598989357 /nfs/dbraw/zinc/98/93/57/598989357.db2.gz GBBFBGNTPBAVAM-GFCCVEGCSA-N -1 1 352.398 2.494 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ccccc2F)n1 ZINC000737273347 598991151 /nfs/dbraw/zinc/99/11/51/598991151.db2.gz AOMRVBOUWULNLF-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2ccccc2F)n1 ZINC000737273347 598991153 /nfs/dbraw/zinc/99/11/53/598991153.db2.gz AOMRVBOUWULNLF-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc(Br)ccc21 ZINC000738260116 598999400 /nfs/dbraw/zinc/99/94/00/598999400.db2.gz ZVORFEKJYJVTMT-UHFFFAOYSA-N -1 1 371.198 2.227 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc(Br)ccc21 ZINC000738260116 598999402 /nfs/dbraw/zinc/99/94/02/598999402.db2.gz ZVORFEKJYJVTMT-UHFFFAOYSA-N -1 1 371.198 2.227 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)Cc2ccccc2C)C2CCOCC2)n1 ZINC000556671724 674411593 /nfs/dbraw/zinc/41/15/93/674411593.db2.gz QUIGHDXQPPSMIN-MRXNPFEDSA-N -1 1 365.455 2.274 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000737201519 599082404 /nfs/dbraw/zinc/08/24/04/599082404.db2.gz UAJDSFJAKPZEJR-ZWNOBZJWSA-N -1 1 358.446 2.164 20 0 FEADMM CC(C)CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC000735796927 599085158 /nfs/dbraw/zinc/08/51/58/599085158.db2.gz JYDHMPAXPCPTNC-CQSZACIVSA-N -1 1 366.491 2.391 20 0 FEADMM CC(C)CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC000735796927 599085161 /nfs/dbraw/zinc/08/51/61/599085161.db2.gz JYDHMPAXPCPTNC-CQSZACIVSA-N -1 1 366.491 2.391 20 0 FEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000556801089 674420830 /nfs/dbraw/zinc/42/08/30/674420830.db2.gz FRRMKENFBOLGSJ-UHFFFAOYSA-N -1 1 364.379 2.066 20 0 FEADMM CCN(C(=O)CSCC(=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000572481545 597098245 /nfs/dbraw/zinc/09/82/45/597098245.db2.gz MWMBAQNSVAWZDB-HOCLYGCPSA-N -1 1 350.484 2.488 20 0 FEADMM O=C1CCCC(=O)N1c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823525313 607313744 /nfs/dbraw/zinc/31/37/44/607313744.db2.gz LWZDTVLBDXHAJO-UHFFFAOYSA-N -1 1 352.354 2.115 20 0 FEADMM O=C1CCCC(=O)N1c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823525313 607313745 /nfs/dbraw/zinc/31/37/45/607313745.db2.gz LWZDTVLBDXHAJO-UHFFFAOYSA-N -1 1 352.354 2.115 20 0 FEADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000737565116 597792500 /nfs/dbraw/zinc/79/25/00/597792500.db2.gz DARZPWNRMGLZOK-AWEZNQCLSA-N -1 1 351.422 2.025 20 0 FEADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000263377565 598192329 /nfs/dbraw/zinc/19/23/29/598192329.db2.gz AYBWCEGJZONUGB-CYBMUJFWSA-N -1 1 362.451 2.486 20 0 FEADMM COc1cccc([C@@H]2[C@H](NC(=O)N(C)CCC(=O)[O-])CCN2C2CC2)c1 ZINC000820865762 598215918 /nfs/dbraw/zinc/21/59/18/598215918.db2.gz WSIYHBSOJXXEFU-SJLPKXTDSA-N -1 1 361.442 2.089 20 0 FEADMM CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736328487 598260447 /nfs/dbraw/zinc/26/04/47/598260447.db2.gz XKKZEELJZDNTML-CYBMUJFWSA-N -1 1 372.454 2.251 20 0 FEADMM CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736328487 598260449 /nfs/dbraw/zinc/26/04/49/598260449.db2.gz XKKZEELJZDNTML-CYBMUJFWSA-N -1 1 372.454 2.251 20 0 FEADMM O=C(Nc1cccc(CNc2nccnc2-c2nnn[n-]2)c1)C1CCC1 ZINC000738182691 598342574 /nfs/dbraw/zinc/34/25/74/598342574.db2.gz HMQBBNHESDMNAH-UHFFFAOYSA-N -1 1 350.386 2.007 20 0 FEADMM O=C(Nc1cccc(CNc2nccnc2-c2nn[n-]n2)c1)C1CCC1 ZINC000738182691 598342576 /nfs/dbraw/zinc/34/25/76/598342576.db2.gz HMQBBNHESDMNAH-UHFFFAOYSA-N -1 1 350.386 2.007 20 0 FEADMM CCc1nn(Cc2csc(C(C)(C)C)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707713 598378322 /nfs/dbraw/zinc/37/83/22/598378322.db2.gz SAOOOLKEEZTWIL-UHFFFAOYSA-N -1 1 373.486 2.351 20 0 FEADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736959778 598381504 /nfs/dbraw/zinc/38/15/04/598381504.db2.gz DPEMNTLRTIPDCV-NSHDSACASA-N -1 1 359.411 2.375 20 0 FEADMM CN(CCc1ccc(Br)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736804378 598387977 /nfs/dbraw/zinc/38/79/77/598387977.db2.gz LXHZPZGXUPGEHK-UHFFFAOYSA-N -1 1 360.219 2.098 20 0 FEADMM CN(CCc1ccc(Br)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736804378 598387978 /nfs/dbraw/zinc/38/79/78/598387978.db2.gz LXHZPZGXUPGEHK-UHFFFAOYSA-N -1 1 360.219 2.098 20 0 FEADMM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736163493 598422927 /nfs/dbraw/zinc/42/29/27/598422927.db2.gz IMCGSUUJGQDKRM-LURJTMIESA-N -1 1 368.184 2.060 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000737297337 598500443 /nfs/dbraw/zinc/50/04/43/598500443.db2.gz VTSKKIGMLVQLNP-UHFFFAOYSA-N -1 1 357.395 2.006 20 0 FEADMM CN(Cc1cnn(-c2ccccc2)n1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736831701 598575308 /nfs/dbraw/zinc/57/53/08/598575308.db2.gz QWYDTZXNDIQMSP-UHFFFAOYSA-N -1 1 367.804 2.132 20 0 FEADMM CN(Cc1cnn(-c2ccccc2)n1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736831701 598575310 /nfs/dbraw/zinc/57/53/10/598575310.db2.gz QWYDTZXNDIQMSP-UHFFFAOYSA-N -1 1 367.804 2.132 20 0 FEADMM C[C@@H]1Cc2ccccc2[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295899 598712045 /nfs/dbraw/zinc/71/20/45/598712045.db2.gz BGZAJCLFDAMJIN-HWPZZCPQSA-N -1 1 373.413 2.218 20 0 FEADMM COc1ccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737110592 598721498 /nfs/dbraw/zinc/72/14/98/598721498.db2.gz AMTUWKYYCYYETG-UHFFFAOYSA-N -1 1 363.377 2.269 20 0 FEADMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820703644 599335081 /nfs/dbraw/zinc/33/50/81/599335081.db2.gz JFQSDFXIPZOBSO-PWSUYJOCSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820703644 599335083 /nfs/dbraw/zinc/33/50/83/599335083.db2.gz JFQSDFXIPZOBSO-PWSUYJOCSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820698159 599349454 /nfs/dbraw/zinc/34/94/54/599349454.db2.gz QKJOJZATNNQOQT-MNOVXSKESA-N -1 1 353.423 2.205 20 0 FEADMM C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820698159 599349456 /nfs/dbraw/zinc/34/94/56/599349456.db2.gz QKJOJZATNNQOQT-MNOVXSKESA-N -1 1 353.423 2.205 20 0 FEADMM Cc1ccc2oc(N3CCN(c4cccc(-c5nnn[n-]5)n4)CC3)nc2c1 ZINC000737379168 599429252 /nfs/dbraw/zinc/42/92/52/599429252.db2.gz DGTPOEQOIGZFSS-UHFFFAOYSA-N -1 1 362.397 2.038 20 0 FEADMM Cc1ccc2oc(N3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)nc2c1 ZINC000737379168 599429254 /nfs/dbraw/zinc/42/92/54/599429254.db2.gz DGTPOEQOIGZFSS-UHFFFAOYSA-N -1 1 362.397 2.038 20 0 FEADMM COc1cccc(N2CCC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000737138364 599440012 /nfs/dbraw/zinc/44/00/12/599440012.db2.gz GWDLAOQXBLRMBT-CYBMUJFWSA-N -1 1 351.414 2.351 20 0 FEADMM COc1cccc(N2CCC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000737138364 599440015 /nfs/dbraw/zinc/44/00/15/599440015.db2.gz GWDLAOQXBLRMBT-CYBMUJFWSA-N -1 1 351.414 2.351 20 0 FEADMM CCN(CC)C(=O)COc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821175379 599453512 /nfs/dbraw/zinc/45/35/12/599453512.db2.gz KTGSHQIDQUXANG-UHFFFAOYSA-N -1 1 370.413 2.319 20 0 FEADMM CCN(CC)C(=O)COc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821175379 599453513 /nfs/dbraw/zinc/45/35/13/599453513.db2.gz KTGSHQIDQUXANG-UHFFFAOYSA-N -1 1 370.413 2.319 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821970637 599472104 /nfs/dbraw/zinc/47/21/04/599472104.db2.gz PQSDGKXRUFKYPL-BXKDBHETSA-N -1 1 360.443 2.094 20 0 FEADMM c1csc([C@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)n1 ZINC000823796973 599515431 /nfs/dbraw/zinc/51/54/31/599515431.db2.gz JGSUMPJKEXDTDY-OAHLLOKOSA-N -1 1 365.422 2.449 20 0 FEADMM c1csc([C@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)n1 ZINC000823796973 599515432 /nfs/dbraw/zinc/51/54/32/599515432.db2.gz JGSUMPJKEXDTDY-OAHLLOKOSA-N -1 1 365.422 2.449 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821575466 599559315 /nfs/dbraw/zinc/55/93/15/599559315.db2.gz CQCAJYBATBYFDY-STQMWFEESA-N -1 1 365.441 2.474 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821575466 599559318 /nfs/dbraw/zinc/55/93/18/599559318.db2.gz CQCAJYBATBYFDY-STQMWFEESA-N -1 1 365.441 2.474 20 0 FEADMM O=C(OCc1cnc(-c2cccs2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738235861 599618810 /nfs/dbraw/zinc/61/88/10/599618810.db2.gz XSCYCCXHSFQSBC-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1cnc(-c2cccs2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738235861 599618812 /nfs/dbraw/zinc/61/88/12/599618812.db2.gz XSCYCCXHSFQSBC-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820656831 607387009 /nfs/dbraw/zinc/38/70/09/607387009.db2.gz HQUIIXWGKKPMLF-NEPJUHHUSA-N -1 1 359.434 2.144 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820656831 607387011 /nfs/dbraw/zinc/38/70/11/607387011.db2.gz HQUIIXWGKKPMLF-NEPJUHHUSA-N -1 1 359.434 2.144 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548145 599664186 /nfs/dbraw/zinc/66/41/86/599664186.db2.gz GEZJVHYYQZVPPN-BXKDBHETSA-N -1 1 361.402 2.385 20 0 FEADMM CC(C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820067814 599683011 /nfs/dbraw/zinc/68/30/11/599683011.db2.gz LPMQDHIDNZOURQ-NSHDSACASA-N -1 1 353.423 2.063 20 0 FEADMM CC(C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820067814 599683012 /nfs/dbraw/zinc/68/30/12/599683012.db2.gz LPMQDHIDNZOURQ-NSHDSACASA-N -1 1 353.423 2.063 20 0 FEADMM CCCC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000652371307 599705661 /nfs/dbraw/zinc/70/56/61/599705661.db2.gz UYNVZDGCVLGIBW-KRWDZBQOSA-N -1 1 368.499 2.253 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCCCC2)c(Cl)c1 ZINC000391915778 599725377 /nfs/dbraw/zinc/72/53/77/599725377.db2.gz BCQUULHHFXLSKQ-UHFFFAOYSA-N -1 1 360.863 2.193 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)CCCNC(=O)[O-])N1CCCCC1 ZINC000738118914 599748872 /nfs/dbraw/zinc/74/88/72/599748872.db2.gz DVXUMUQSGJZVRE-INIZCTEOSA-N -1 1 363.458 2.386 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN(C)c2ccccc2C1 ZINC000736214748 599773976 /nfs/dbraw/zinc/77/39/76/599773976.db2.gz KRIWHLMELIZJLH-OAHLLOKOSA-N -1 1 367.449 2.342 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000738543811 599780719 /nfs/dbraw/zinc/78/07/19/599780719.db2.gz SXWRRRUQYYCNGR-OKILXGFUSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000739375365 599858429 /nfs/dbraw/zinc/85/84/29/599858429.db2.gz MNQGCBNKBMVNGH-CQSZACIVSA-N -1 1 369.402 2.050 20 0 FEADMM Cc1nc(CS(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)no2)cs1 ZINC000632479621 676996786 /nfs/dbraw/zinc/99/67/86/676996786.db2.gz FXVSVMRUUSZAOY-RXMQYKEDSA-N -1 1 356.351 2.034 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCc2ccc(O)cc2CC1 ZINC000736213466 599955744 /nfs/dbraw/zinc/95/57/44/599955744.db2.gz DUNRLIBGJQUBMT-AWEZNQCLSA-N -1 1 368.433 2.196 20 0 FEADMM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822224962 607409181 /nfs/dbraw/zinc/40/91/81/607409181.db2.gz HSNWJGZQABSNJM-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822224962 607409183 /nfs/dbraw/zinc/40/91/83/607409183.db2.gz HSNWJGZQABSNJM-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM CN(Cc1ccccc1F)C(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000737491562 599966986 /nfs/dbraw/zinc/96/69/86/599966986.db2.gz BQHOAAYVLXLISK-GOSISDBHSA-N -1 1 356.397 2.296 20 0 FEADMM Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738807729 599976505 /nfs/dbraw/zinc/97/65/05/599976505.db2.gz BVAVBTCGFGUHKI-CRAIPNDOSA-N -1 1 370.453 2.232 20 0 FEADMM COCCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000737823441 600054452 /nfs/dbraw/zinc/05/44/52/600054452.db2.gz JALWDSILHDCAJK-UHFFFAOYSA-N -1 1 356.425 2.139 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000649463005 600075948 /nfs/dbraw/zinc/07/59/48/600075948.db2.gz NCCXRMUPYAEHSQ-HUUCEWRRSA-N -1 1 350.846 2.389 20 0 FEADMM C[C@@H]1c2ccccc2OCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736840050 600096577 /nfs/dbraw/zinc/09/65/77/600096577.db2.gz JPJBMGWGVLWYOO-GPLLRDDGSA-N -1 1 362.451 2.334 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCCc2ccccc2C1 ZINC000739624683 600112095 /nfs/dbraw/zinc/11/20/95/600112095.db2.gz JVOJNDCGUWFOCZ-FQEVSTJZSA-N -1 1 364.445 2.473 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738167798 600112833 /nfs/dbraw/zinc/11/28/33/600112833.db2.gz GPLIVQAJVSZRQM-UHFFFAOYSA-N -1 1 367.354 2.252 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnccc1-n1cccn1 ZINC000738347401 600126661 /nfs/dbraw/zinc/12/66/61/600126661.db2.gz KGYBQRSGBBECFG-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM O=C([O-])[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000262670231 600248887 /nfs/dbraw/zinc/24/88/87/600248887.db2.gz PBSRSXHOGQKYAG-NSHDSACASA-N -1 1 352.188 2.405 20 0 FEADMM Cc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000326041855 600254721 /nfs/dbraw/zinc/25/47/21/600254721.db2.gz XEWZFVWMFBNPEE-UHFFFAOYSA-N -1 1 353.356 2.347 20 0 FEADMM CN(C(=O)CSc1nc(-c2ccccn2)n[nH]1)c1ccccc1C(=O)[O-] ZINC000737324724 600274993 /nfs/dbraw/zinc/27/49/93/600274993.db2.gz BXWZHQAOVJLVDW-UHFFFAOYSA-N -1 1 369.406 2.320 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)N[C@@H](CN(C)C)c2ccccc2)c(C(=O)[O-])c1C ZINC000736182632 600275517 /nfs/dbraw/zinc/27/55/17/600275517.db2.gz RBAWUFVGOUFXBK-INIZCTEOSA-N -1 1 371.437 2.186 20 0 FEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000740075044 600290471 /nfs/dbraw/zinc/29/04/71/600290471.db2.gz VLUJQNVZHKZAJJ-HUUCEWRRSA-N -1 1 367.833 2.101 20 0 FEADMM CCCOc1cccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000737034825 600299477 /nfs/dbraw/zinc/29/94/77/600299477.db2.gz QXZRJGHUQILFNY-QGZVFWFLSA-N -1 1 360.454 2.278 20 0 FEADMM CCC[C@@](C)(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000736965486 600324045 /nfs/dbraw/zinc/32/40/45/600324045.db2.gz ULTYDQSXYRNGSO-GOSISDBHSA-N -1 1 367.877 2.222 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000738525268 600400377 /nfs/dbraw/zinc/40/03/77/600400377.db2.gz JHEOBTPFAFNSQE-IBGZPJMESA-N -1 1 372.396 2.175 20 0 FEADMM CCOc1cc(C)nc(N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)n1 ZINC000737193038 600406839 /nfs/dbraw/zinc/40/68/39/600406839.db2.gz LZIMUXXUJBDNGY-KRWDZBQOSA-N -1 1 356.426 2.132 20 0 FEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000324946124 600513773 /nfs/dbraw/zinc/51/37/73/600513773.db2.gz SDGFTDBVTXOEHO-UHFFFAOYSA-N -1 1 362.285 2.479 20 0 FEADMM CCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])CC1CC1 ZINC000737069647 600613783 /nfs/dbraw/zinc/61/37/83/600613783.db2.gz MLKDKFGYGYFQRF-UHFFFAOYSA-N -1 1 354.428 2.212 20 0 FEADMM COCCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000737785519 600633311 /nfs/dbraw/zinc/63/33/11/600633311.db2.gz APUQHCXGNUUNOR-UHFFFAOYSA-N -1 1 351.790 2.293 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000736942534 600651717 /nfs/dbraw/zinc/65/17/17/600651717.db2.gz VOZAOXZCYXLJJR-OAHLLOKOSA-N -1 1 354.472 2.236 20 0 FEADMM CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000728508297 600680394 /nfs/dbraw/zinc/68/03/94/600680394.db2.gz OUBILGVYFXAMII-UHFFFAOYSA-N -1 1 369.424 2.287 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000828265432 600710781 /nfs/dbraw/zinc/71/07/81/600710781.db2.gz BWHHBORVKZBLMT-LLVKDONJSA-N -1 1 360.863 2.048 20 0 FEADMM CS(=O)(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832699334 600739916 /nfs/dbraw/zinc/73/99/16/600739916.db2.gz FXFHFIBBIUFMRN-OAHLLOKOSA-N -1 1 352.387 2.113 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)c[nH]1 ZINC000833300801 600756920 /nfs/dbraw/zinc/75/69/20/600756920.db2.gz LVFLIWGWROSJIX-UHFFFAOYSA-N -1 1 363.439 2.004 20 0 FEADMM O=C([O-])Nc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000738665048 600759363 /nfs/dbraw/zinc/75/93/63/600759363.db2.gz KPIIHELTWWOMQB-UHFFFAOYSA-N -1 1 369.425 2.322 20 0 FEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCN1C ZINC000828170162 600759844 /nfs/dbraw/zinc/75/98/44/600759844.db2.gz XMISAUKZCGWFCY-JQWIXIFHSA-N -1 1 360.863 2.141 20 0 FEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000830855953 600786222 /nfs/dbraw/zinc/78/62/22/600786222.db2.gz GGHVSRQFULFOOL-QGZVFWFLSA-N -1 1 374.462 2.280 20 0 FEADMM COc1ccc(Cl)cc1C[C@@H]1CCCN(CC(=O)NCCC(=O)[O-])C1 ZINC000738014301 600796822 /nfs/dbraw/zinc/79/68/22/600796822.db2.gz RSBWBQCDBRDNRM-ZDUSSCGKSA-N -1 1 368.861 2.194 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000463350165 601031645 /nfs/dbraw/zinc/03/16/45/601031645.db2.gz UJAGSIIARGJNCD-INIZCTEOSA-N -1 1 360.454 2.421 20 0 FEADMM CCOC(=O)c1sc(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1C ZINC000829895385 601034234 /nfs/dbraw/zinc/03/42/34/601034234.db2.gz QVVWXYZFTBTJIB-MRXNPFEDSA-N -1 1 354.428 2.015 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832704043 601072806 /nfs/dbraw/zinc/07/28/06/601072806.db2.gz TVISEYAONJLVFN-AWEZNQCLSA-N -1 1 367.354 2.180 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000832847214 601083267 /nfs/dbraw/zinc/08/32/67/601083267.db2.gz DOHVFINOUNETHH-SNVBAGLBSA-N -1 1 371.315 2.116 20 0 FEADMM COc1ccccc1CC(C)(C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630226285 601091236 /nfs/dbraw/zinc/09/12/36/601091236.db2.gz UXIUPGGHMHVPER-HNNXBMFYSA-N -1 1 362.470 2.271 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000630224382 601092782 /nfs/dbraw/zinc/09/27/82/601092782.db2.gz NLZPHOWTPMTVLM-ZDUSSCGKSA-N -1 1 350.846 2.379 20 0 FEADMM C[C@@H](CSc1ccccc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630223447 601096542 /nfs/dbraw/zinc/09/65/42/601096542.db2.gz JJTICPWFPCJKGJ-GJZGRUSLSA-N -1 1 350.484 2.422 20 0 FEADMM Cc1oc(CN2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)cc1C(=O)[O-] ZINC000738979166 601105132 /nfs/dbraw/zinc/10/51/32/601105132.db2.gz LFPMWNGWXZQQCX-ZDUSSCGKSA-N -1 1 362.430 2.499 20 0 FEADMM CCCCCc1nnc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)s1 ZINC000829373509 601126687 /nfs/dbraw/zinc/12/66/87/601126687.db2.gz ZVYMOWNQZWASSC-GFCCVEGCSA-N -1 1 369.491 2.284 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2)CC1 ZINC000663119170 601185822 /nfs/dbraw/zinc/18/58/22/601185822.db2.gz FXTGRSQSATYWQN-UHFFFAOYSA-N -1 1 373.497 2.341 20 0 FEADMM Cc1oc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1C(=O)[O-] ZINC000833026658 601215273 /nfs/dbraw/zinc/21/52/73/601215273.db2.gz JVSQQWYAFAWXHQ-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829396959 601219711 /nfs/dbraw/zinc/21/97/11/601219711.db2.gz ZXDWQBMYKVZSJO-CYBMUJFWSA-N -1 1 358.460 2.219 20 0 FEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000828237541 601239980 /nfs/dbraw/zinc/23/99/80/601239980.db2.gz COPGJUHHGOSBDJ-LDPUDYSASA-N -1 1 366.483 2.326 20 0 FEADMM Cc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000832885202 601248172 /nfs/dbraw/zinc/24/81/72/601248172.db2.gz KHBKAOLGUWXBFG-UHFFFAOYSA-N -1 1 364.210 2.202 20 0 FEADMM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829765033 601264675 /nfs/dbraw/zinc/26/46/75/601264675.db2.gz GPEUIXCMZGMUNN-ZDUSSCGKSA-N -1 1 360.863 2.143 20 0 FEADMM COC(=O)c1cc(NC(=O)N2CCC(c3cnc[nH]3)CC2)ccc1C(=O)[O-] ZINC000831282074 601338908 /nfs/dbraw/zinc/33/89/08/601338908.db2.gz VAHVGOQTRKCKHT-UHFFFAOYSA-N -1 1 372.381 2.306 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000830140694 601386036 /nfs/dbraw/zinc/38/60/36/601386036.db2.gz SOAMQFMNFMGYDZ-MNOVXSKESA-N -1 1 355.412 2.015 20 0 FEADMM C[C@@H]1CN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000263156188 601503562 /nfs/dbraw/zinc/50/35/62/601503562.db2.gz FUJLBXYBWJFGQL-CZUORRHYSA-N -1 1 368.437 2.341 20 0 FEADMM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000833357300 601549013 /nfs/dbraw/zinc/54/90/13/601549013.db2.gz CQFDUEHGHMNPAM-ZBFHGGJFSA-N -1 1 366.845 2.037 20 0 FEADMM CCS(=O)(=O)N(C)C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000578875603 601633921 /nfs/dbraw/zinc/63/39/21/601633921.db2.gz UDEVFMMLGBOAGI-UHFFFAOYSA-N -1 1 360.501 2.001 20 0 FEADMM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000826045436 601656453 /nfs/dbraw/zinc/65/64/53/601656453.db2.gz UBHKZYLKTLYAKQ-YJYMSZOUSA-N -1 1 367.405 2.023 20 0 FEADMM CC(=O)c1c[nH]c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000825942393 601733579 /nfs/dbraw/zinc/73/35/79/601733579.db2.gz WTNHZIJILUIVOZ-HXUWFJFHSA-N -1 1 369.421 2.067 20 0 FEADMM CCc1noc(C)c1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000830343871 601740138 /nfs/dbraw/zinc/74/01/38/601740138.db2.gz CXESYQQRGDYOAY-HXUWFJFHSA-N -1 1 371.437 2.395 20 0 FEADMM O=C([O-])[C@]1([N-]C(=O)C(F)(F)C(F)F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833176646 601741279 /nfs/dbraw/zinc/74/12/79/601741279.db2.gz VJEMAOXTDZEWPP-HNNXBMFYSA-N -1 1 362.323 2.122 20 0 FEADMM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000325201786 601772124 /nfs/dbraw/zinc/77/21/24/601772124.db2.gz GJABMOZSEPZCBW-UHFFFAOYSA-N -1 1 368.436 2.286 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c2cccnc12 ZINC000832468468 601783288 /nfs/dbraw/zinc/78/32/88/601783288.db2.gz DLFDUEWPDWYTLD-UHFFFAOYSA-N -1 1 361.379 2.081 20 0 FEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217069 601844118 /nfs/dbraw/zinc/84/41/18/601844118.db2.gz DBPSWMPNWFMBLN-WBVHZDCISA-N -1 1 354.491 2.275 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@H](N3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000829430531 601850141 /nfs/dbraw/zinc/85/01/41/601850141.db2.gz AKALJGKBXINPDD-OXJNMPFZSA-N -1 1 358.438 2.458 20 0 FEADMM CCC[C@H](NC(=O)[O-])C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739310368 601871095 /nfs/dbraw/zinc/87/10/95/601871095.db2.gz HEBIVPGGHARFRO-INIZCTEOSA-N -1 1 351.422 2.343 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C2CCOCC2)c(F)cc1Cl ZINC000809392670 674492966 /nfs/dbraw/zinc/49/29/66/674492966.db2.gz BMILYJUVIHEJFW-UHFFFAOYSA-N -1 1 365.810 2.113 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000825971731 601923780 /nfs/dbraw/zinc/92/37/80/601923780.db2.gz DXLUUFTUBLWAPR-SWLSCSKDSA-N -1 1 354.447 2.065 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826008247 601924651 /nfs/dbraw/zinc/92/46/51/601924651.db2.gz HFJXSOJFRQDJME-YPMHNXCESA-N -1 1 356.875 2.237 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000832595366 601928072 /nfs/dbraw/zinc/92/80/72/601928072.db2.gz KLJDOBBHJBNZFL-IHRRRGAJSA-N -1 1 366.483 2.153 20 0 FEADMM COc1ccc([C@H](NC(=O)CN2CC[C@H](CNC(=O)[O-])C2)C(C)C)cc1 ZINC000739892547 601946815 /nfs/dbraw/zinc/94/68/15/601946815.db2.gz HJJZHXXSPCGMIY-RDTXWAMCSA-N -1 1 363.458 2.098 20 0 FEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398194866 601988785 /nfs/dbraw/zinc/98/87/85/601988785.db2.gz LDIOJNCIOBDEIO-RHSMWYFYSA-N -1 1 374.462 2.326 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000738286941 602250247 /nfs/dbraw/zinc/25/02/47/602250247.db2.gz INFHGBMAKUSYCL-SNVBAGLBSA-N -1 1 368.436 2.060 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000736366514 602312395 /nfs/dbraw/zinc/31/23/95/602312395.db2.gz YEOQZUDLJXPXNV-HNNXBMFYSA-N -1 1 371.441 2.470 20 0 FEADMM CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1cccc(F)c1 ZINC000739608667 602351373 /nfs/dbraw/zinc/35/13/73/602351373.db2.gz QMRHSOULMPYNTP-ROUUACIJSA-N -1 1 373.428 2.424 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000739793573 602373624 /nfs/dbraw/zinc/37/36/24/602373624.db2.gz WAGONHZNJSZSFT-UHFFFAOYSA-N -1 1 360.414 2.102 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000739022850 602445436 /nfs/dbraw/zinc/44/54/36/602445436.db2.gz FYEGWICXELGVHG-HNNXBMFYSA-N -1 1 359.470 2.203 20 0 FEADMM COc1cccc(CNC(=O)[C@@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000739948599 602446408 /nfs/dbraw/zinc/44/64/08/602446408.db2.gz ZTWLTYSFLNPOCL-UONOGXRCSA-N -1 1 363.458 2.068 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000739025417 602448956 /nfs/dbraw/zinc/44/89/56/602448956.db2.gz JLXASHSMVYBMKW-LBPRGKRZSA-N -1 1 353.850 2.324 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000739014880 602450907 /nfs/dbraw/zinc/45/09/07/602450907.db2.gz HHBLAJVLNQVIKB-CHWSQXEVSA-N -1 1 351.422 2.199 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000739012915 602450950 /nfs/dbraw/zinc/45/09/50/602450950.db2.gz BEKRVFSIUUGVBZ-LLVKDONJSA-N -1 1 364.833 2.216 20 0 FEADMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000739159275 602510935 /nfs/dbraw/zinc/51/09/35/602510935.db2.gz GAXSGIDCIBLINB-MRVPVSSYSA-N -1 1 367.203 2.150 20 0 FEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000738939676 602526003 /nfs/dbraw/zinc/52/60/03/602526003.db2.gz OGTIJOYUXYIGQJ-SSDOTTSWSA-N -1 1 355.192 2.054 20 0 FEADMM O=Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826483810 607572042 /nfs/dbraw/zinc/57/20/42/607572042.db2.gz APDSXFNXARUPNY-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM O=Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826483810 607572043 /nfs/dbraw/zinc/57/20/43/607572043.db2.gz APDSXFNXARUPNY-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM CC(=O)Nc1ccc2c(CN3CCC(N(C)C(=O)[O-])CC3)cc(=O)oc2c1 ZINC000737549413 602536636 /nfs/dbraw/zinc/53/66/36/602536636.db2.gz KZUFOOBOCLRGPD-UHFFFAOYSA-N -1 1 373.409 2.326 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493438 607572347 /nfs/dbraw/zinc/57/23/47/607572347.db2.gz KPENOPHYLPSSGK-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493438 607572349 /nfs/dbraw/zinc/57/23/49/607572349.db2.gz KPENOPHYLPSSGK-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000740426184 602690723 /nfs/dbraw/zinc/69/07/23/602690723.db2.gz JRODHHFLSUZOAN-CABCVRRESA-N -1 1 364.446 2.106 20 0 FEADMM O=S(=O)(Oc1ccc(F)c(F)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493710 607578129 /nfs/dbraw/zinc/57/81/29/607578129.db2.gz YPJISNGBGBQLNU-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1ccc(F)c(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493710 607578130 /nfs/dbraw/zinc/57/81/30/607578130.db2.gz YPJISNGBGBQLNU-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000739033694 602729960 /nfs/dbraw/zinc/72/99/60/602729960.db2.gz UOHNKKKVFWBUNS-LLVKDONJSA-N -1 1 359.348 2.178 20 0 FEADMM C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000738993278 602733371 /nfs/dbraw/zinc/73/33/71/602733371.db2.gz CLBGRWZUCIQHIM-SNVBAGLBSA-N -1 1 374.363 2.052 20 0 FEADMM CC(C)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824255361 607583514 /nfs/dbraw/zinc/58/35/14/607583514.db2.gz GTYAWRZLJAPNFG-UHFFFAOYSA-N -1 1 355.851 2.329 20 0 FEADMM CC(C)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824255361 607583515 /nfs/dbraw/zinc/58/35/15/607583515.db2.gz GTYAWRZLJAPNFG-UHFFFAOYSA-N -1 1 355.851 2.329 20 0 FEADMM NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000809728548 674507543 /nfs/dbraw/zinc/50/75/43/674507543.db2.gz BBTOZEWVRKGZCY-GOSISDBHSA-N -1 1 359.857 2.390 20 0 FEADMM C[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824929784 607585349 /nfs/dbraw/zinc/58/53/49/607585349.db2.gz ZARGELMVGZEBQH-VHSXEESVSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824929784 607585350 /nfs/dbraw/zinc/58/53/50/607585350.db2.gz ZARGELMVGZEBQH-VHSXEESVSA-N -1 1 355.851 2.377 20 0 FEADMM CC(C)N(CC1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824288536 607586263 /nfs/dbraw/zinc/58/62/63/607586263.db2.gz JBYBMFGKBKUHSE-UHFFFAOYSA-N -1 1 355.851 2.329 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NC[C@H](NC(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000740117213 602802185 /nfs/dbraw/zinc/80/21/85/602802185.db2.gz IKVUPQRKCVXROS-GJZGRUSLSA-N -1 1 366.462 2.316 20 0 FEADMM C[C@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C[C@H](C)N1C(=O)[O-] ZINC000739135160 602807502 /nfs/dbraw/zinc/80/75/02/602807502.db2.gz BNLRGLXHLZJOFQ-STQMWFEESA-N -1 1 366.437 2.170 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)NC(=O)[O-] ZINC000738782495 602826773 /nfs/dbraw/zinc/82/67/73/602826773.db2.gz AJWSQKCFHMESTE-HUUCEWRRSA-N -1 1 354.426 2.020 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H]1c1ccccc1 ZINC000826495099 607589875 /nfs/dbraw/zinc/58/98/75/607589875.db2.gz CJYISSPWWGXZTI-AWEZNQCLSA-N -1 1 359.386 2.142 20 0 FEADMM O=C([O-])NC[C@H]1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740641484 602863411 /nfs/dbraw/zinc/86/34/11/602863411.db2.gz IYRDFEBAGFVKJC-BXUZGUMPSA-N -1 1 371.359 2.400 20 0 FEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000740534761 603039470 /nfs/dbraw/zinc/03/94/70/603039470.db2.gz LGFPHLPRZNGDOV-OAHLLOKOSA-N -1 1 351.366 2.085 20 0 FEADMM O=C([O-])NC[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000832513287 603135690 /nfs/dbraw/zinc/13/56/90/603135690.db2.gz IUIZALSMARKADD-PRHODGIISA-N -1 1 366.361 2.209 20 0 FEADMM Cc1cccc2c1CC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305354 607609374 /nfs/dbraw/zinc/60/93/74/607609374.db2.gz TWOGRJWDWMPKBV-AWEZNQCLSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1cccc2c1CC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305354 607609376 /nfs/dbraw/zinc/60/93/76/607609376.db2.gz TWOGRJWDWMPKBV-AWEZNQCLSA-N -1 1 373.413 2.280 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000832690580 603319980 /nfs/dbraw/zinc/31/99/80/603319980.db2.gz MHYWARFYWVYKBV-OAHLLOKOSA-N -1 1 357.410 2.442 20 0 FEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000739604110 603380933 /nfs/dbraw/zinc/38/09/33/603380933.db2.gz WZZUQVBGBLUFQS-INIZCTEOSA-N -1 1 370.409 2.134 20 0 FEADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000827875995 603528343 /nfs/dbraw/zinc/52/83/43/603528343.db2.gz MTHPDTSDTUIQFE-SECBINFHSA-N -1 1 367.203 2.150 20 0 FEADMM CCN(CC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1)C(=O)[O-] ZINC000827099557 603543294 /nfs/dbraw/zinc/54/32/94/603543294.db2.gz PXQIFOYHESGUEX-UHFFFAOYSA-N -1 1 358.442 2.215 20 0 FEADMM O=C([O-])N[C@H](CNC(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000832135662 603557034 /nfs/dbraw/zinc/55/70/34/603557034.db2.gz NRFYYIHFASGGIP-MRXNPFEDSA-N -1 1 366.381 2.398 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNCc1ccc(Br)cn1 ZINC000826126640 603562476 /nfs/dbraw/zinc/56/24/76/603562476.db2.gz PHDQJEBFFKUIMA-CABZTGNLSA-N -1 1 358.236 2.437 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNCc1nccn1CC(F)(F)F ZINC000826127215 603564809 /nfs/dbraw/zinc/56/48/09/603564809.db2.gz RWNZKNXGKRAYBK-NXEZZACHSA-N -1 1 350.341 2.038 20 0 FEADMM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825192368 607642180 /nfs/dbraw/zinc/64/21/80/607642180.db2.gz GPWZYNURGRKKAB-ZYHUDNBSSA-N -1 1 353.423 2.253 20 0 FEADMM CN(CC(=O)Nc1nc2c(s1)CCCC2)C1CCC(NC(=O)[O-])CC1 ZINC000828120701 603836297 /nfs/dbraw/zinc/83/62/97/603836297.db2.gz UOWUDGRBKNETEO-UHFFFAOYSA-N -1 1 366.487 2.471 20 0 FEADMM CN(Cc1cc(Cl)cn1C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828351161 603908610 /nfs/dbraw/zinc/90/86/10/603908610.db2.gz XFMJYBZFFQFIBR-IRXDYDNUSA-N -1 1 365.861 2.350 20 0 FEADMM CC(C)CO[C@@H](C)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000824268107 603910182 /nfs/dbraw/zinc/91/01/82/603910182.db2.gz JQKTYWOTESUERG-NSHDSACASA-N -1 1 361.402 2.239 20 0 FEADMM CC(C)CO[C@@H](C)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000824268107 603910186 /nfs/dbraw/zinc/91/01/86/603910186.db2.gz JQKTYWOTESUERG-NSHDSACASA-N -1 1 361.402 2.239 20 0 FEADMM O=C([O-])NCCOCC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000832662142 603937350 /nfs/dbraw/zinc/93/73/50/603937350.db2.gz JGVCAHWDTPXLBI-CYBMUJFWSA-N -1 1 366.805 2.164 20 0 FEADMM COC(=O)c1ccc(OCCN2CCC[C@@H](CNC(=O)[O-])C2)c(Cl)c1 ZINC000828788264 604039961 /nfs/dbraw/zinc/03/99/61/604039961.db2.gz DJRXFRYBBZYZKO-LBPRGKRZSA-N -1 1 370.833 2.485 20 0 FEADMM CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825194109 607668998 /nfs/dbraw/zinc/66/89/98/607668998.db2.gz OZXVSOGRHOWJIM-ONGXEEELSA-N -1 1 355.851 2.377 20 0 FEADMM CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825194109 607669000 /nfs/dbraw/zinc/66/90/00/607669000.db2.gz OZXVSOGRHOWJIM-ONGXEEELSA-N -1 1 355.851 2.377 20 0 FEADMM COc1cccc([C@@H](CNC(=O)[C@H](C)CN(C)C(=O)[O-])N2CCCC2)c1 ZINC000829543582 604065000 /nfs/dbraw/zinc/06/50/00/604065000.db2.gz MXHNUTJDZBUMFW-RHSMWYFYSA-N -1 1 363.458 2.194 20 0 FEADMM O=C([O-])NCCCOC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000832632521 604103160 /nfs/dbraw/zinc/10/31/60/604103160.db2.gz IMJLEBPSUCJFCP-MRXNPFEDSA-N -1 1 358.385 2.137 20 0 FEADMM O=C([O-])NCCCOC1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000832632559 604105677 /nfs/dbraw/zinc/10/56/77/604105677.db2.gz JWBQHCQOQQPHAN-OAHLLOKOSA-N -1 1 358.385 2.137 20 0 FEADMM COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829628015 604175438 /nfs/dbraw/zinc/17/54/38/604175438.db2.gz WRKCIFGFPQFHAL-OFQRWUPVSA-N -1 1 363.458 2.068 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000825253024 604220198 /nfs/dbraw/zinc/22/01/98/604220198.db2.gz HXSQXJUIGBQPQW-ZIAGYGMSSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000825267493 604242681 /nfs/dbraw/zinc/24/26/81/604242681.db2.gz YTIZHQUGIPKINN-UKRRQHHQSA-N -1 1 367.877 2.367 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000825255984 604251447 /nfs/dbraw/zinc/25/14/47/604251447.db2.gz SUNAJELLDFFKEM-OFQRWUPVSA-N -1 1 365.449 2.241 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)n2)cc1 ZINC000738084346 604307393 /nfs/dbraw/zinc/30/73/93/604307393.db2.gz MEXGJKFPMWPGMD-UHFFFAOYSA-N -1 1 369.381 2.053 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)n[nH]2)cc1 ZINC000738084346 604307395 /nfs/dbraw/zinc/30/73/95/604307395.db2.gz MEXGJKFPMWPGMD-UHFFFAOYSA-N 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CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833488381 604682879 /nfs/dbraw/zinc/68/28/79/604682879.db2.gz PNOKIADFYAUPHB-UHFFFAOYSA-N -1 1 372.462 2.265 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC000832908706 604698274 /nfs/dbraw/zinc/69/82/74/604698274.db2.gz QPBVZLDJAFNBHU-LBPRGKRZSA-N -1 1 371.441 2.212 20 0 FEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000833626015 604721340 /nfs/dbraw/zinc/72/13/40/604721340.db2.gz NXQHYRMSMWPZHH-JFIYKMOQSA-N -1 1 374.481 2.418 20 0 FEADMM Cc1cc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)n(-c2ccc(F)cc2)n1 ZINC000832892502 604740077 /nfs/dbraw/zinc/74/00/77/604740077.db2.gz CFWINLWYILFDLL-GFCCVEGCSA-N -1 1 374.416 2.443 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3C[C@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000830236692 604763173 /nfs/dbraw/zinc/76/31/73/604763173.db2.gz CYJWKEFRXRSRGA-OWZDWXTDSA-N -1 1 373.453 2.016 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000830237080 604764178 /nfs/dbraw/zinc/76/41/78/604764178.db2.gz GOOWSGGVTQHVQQ-PMACEKPBSA-N -1 1 373.453 2.160 20 0 FEADMM Cc1ccc(OC(F)F)c([C@@H](C)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000830399959 604770382 /nfs/dbraw/zinc/77/03/82/604770382.db2.gz GQGUEISEBAXVNY-GFCCVEGCSA-N -1 1 371.384 2.069 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)c3ccc(F)cc3)CC2)O1 ZINC000833581294 604827801 /nfs/dbraw/zinc/82/78/01/604827801.db2.gz WEUXYGHETSUKBP-INIZCTEOSA-N -1 1 362.401 2.121 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000833550601 604940772 /nfs/dbraw/zinc/94/07/72/604940772.db2.gz PCSARIXFACJMLQ-CYBMUJFWSA-N -1 1 354.410 2.130 20 0 FEADMM CC(=O)c1cccc(OC[C@@H](O)CN2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000567478957 604951357 /nfs/dbraw/zinc/95/13/57/604951357.db2.gz HHAZNQHEDPWSCP-PXNSSMCTSA-N -1 1 369.417 2.313 20 0 FEADMM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CCC[C@H]1CC(=O)[O-])C2=O ZINC000828156477 604980617 /nfs/dbraw/zinc/98/06/17/604980617.db2.gz LLZFUCSMVAZYRU-FHSNZYRGSA-N -1 1 351.447 2.020 20 0 FEADMM C[C@@H]1CCc2c(sc(NC(=O)CN3CCc4cn[nH]c4C3)c2C(=O)[O-])C1 ZINC000833616961 605009816 /nfs/dbraw/zinc/00/98/16/605009816.db2.gz LIDVUHXSMACEKS-SNVBAGLBSA-N -1 1 374.466 2.291 20 0 FEADMM C[C@H]1C[C@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CCN1C ZINC000325563996 605039704 /nfs/dbraw/zinc/03/97/04/605039704.db2.gz XOTMNLZCMJYDMA-WDEREUQCSA-N -1 1 368.480 2.361 20 0 FEADMM CC(C)N1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[C@@H](C)C1 ZINC000833623288 605041584 /nfs/dbraw/zinc/04/15/84/605041584.db2.gz JQZWTJDWDHTGRH-GWCFXTLKSA-N -1 1 360.863 2.045 20 0 FEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)[nH]c21 ZINC000833765481 605059932 /nfs/dbraw/zinc/05/99/32/605059932.db2.gz PSZITCNBIOBRLE-UHFFFAOYSA-N -1 1 363.333 2.091 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000833621238 605103340 /nfs/dbraw/zinc/10/33/40/605103340.db2.gz MWQJIOSPVNKJFI-TZNOJPMFSA-N -1 1 371.231 2.063 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1Br ZINC000833623671 605105274 /nfs/dbraw/zinc/10/52/74/605105274.db2.gz FITHFYNSBWPPMC-LLVKDONJSA-N -1 1 355.232 2.070 20 0 FEADMM CCn1cc(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c2ccccc21 ZINC000833681770 605110401 /nfs/dbraw/zinc/11/04/01/605110401.db2.gz FFNKIGYHUHCFDM-OAHLLOKOSA-N -1 1 357.454 2.211 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1Oc1cccnc1 ZINC000833623073 605158505 /nfs/dbraw/zinc/15/85/05/605158505.db2.gz DJIOTYOZQRUVMT-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(C2CCOCC2)CC1 ZINC000826522532 607739353 /nfs/dbraw/zinc/73/93/53/607739353.db2.gz FUMMEFVEGOOGQN-UHFFFAOYSA-N -1 1 365.441 2.453 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(C2CCOCC2)CC1 ZINC000826522532 607739354 /nfs/dbraw/zinc/73/93/54/607739354.db2.gz FUMMEFVEGOOGQN-UHFFFAOYSA-N -1 1 365.441 2.453 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc2ccccc21 ZINC000833628210 605190283 /nfs/dbraw/zinc/19/02/83/605190283.db2.gz 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CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)CC3CCCC3)CC2)O1 ZINC000833581038 605320393 /nfs/dbraw/zinc/32/03/93/605320393.db2.gz VCCKXJZMFHGJTF-INIZCTEOSA-N -1 1 350.459 2.249 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C(=O)CC4(CCCCC4)C3=O)C[C@@H]21 ZINC000834177502 605321941 /nfs/dbraw/zinc/32/19/41/605321941.db2.gz CBMMTFVVDNPNNG-QLFBSQMISA-N -1 1 363.458 2.021 20 0 FEADMM O=C([O-])N1CC[C@H](C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834070793 605383058 /nfs/dbraw/zinc/38/30/58/605383058.db2.gz JCFNUSYPILFHIL-KBPBESRZSA-N -1 1 355.398 2.135 20 0 FEADMM O=C([O-])N1CCSC[C@@H]1CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000831415368 605433118 /nfs/dbraw/zinc/43/31/18/605433118.db2.gz ZUJSXZFXBCNGIU-JTQLQIEISA-N -1 1 368.846 2.318 20 0 FEADMM CCCN(Cc1nc2ccccc2c(=O)n1C)C1CCN(C(=O)[O-])CC1 ZINC000826916476 605480112 /nfs/dbraw/zinc/48/01/12/605480112.db2.gz LXIRCRXMUXURAB-UHFFFAOYSA-N -1 1 358.442 2.288 20 0 FEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000834241124 605566761 /nfs/dbraw/zinc/56/67/61/605566761.db2.gz OMGKBOSUNTUTDH-LBPRGKRZSA-N -1 1 357.813 2.075 20 0 FEADMM Cn1ccnc1CN1CCCN(Cc2cccc3c2N(C(=O)[O-])CC3)CC1 ZINC000833955526 605590931 /nfs/dbraw/zinc/59/09/31/605590931.db2.gz JIAXSQOVJDIENW-UHFFFAOYSA-N -1 1 369.469 2.169 20 0 FEADMM COC(=O)CCN(Cc1cccc2c1N(C(=O)[O-])CC2)C[C@H]1CCCO1 ZINC000833880131 605605569 /nfs/dbraw/zinc/60/55/69/605605569.db2.gz UASKJZVVQWBUOL-MRXNPFEDSA-N -1 1 362.426 2.271 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000834125567 605648123 /nfs/dbraw/zinc/64/81/23/605648123.db2.gz QIHODZXMUAMUPJ-KRWDZBQOSA-N -1 1 363.433 2.343 20 0 FEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000834021563 605790471 /nfs/dbraw/zinc/79/04/71/605790471.db2.gz HIVOYXVFBMGTFQ-CABCVRRESA-N -1 1 361.442 2.313 20 0 FEADMM O=C([O-])N[C@H]1C[C@H](NCc2ccc(-n3cncn3)nc2)c2ccccc21 ZINC000834157256 605791752 /nfs/dbraw/zinc/79/17/52/605791752.db2.gz HIASJGHZLMXKPD-HOTGVXAUSA-N -1 1 350.382 2.206 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@H](CNC(=O)[O-])C[C@@H]2C)cc1 ZINC000833907773 605901257 /nfs/dbraw/zinc/90/12/57/605901257.db2.gz SUNAEPNHHKOKRJ-GJZGRUSLSA-N -1 1 365.499 2.181 20 0 FEADMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000833826462 606029286 /nfs/dbraw/zinc/02/92/86/606029286.db2.gz HAHDPQQIPZKNDG-FZKQIMNGSA-N -1 1 357.414 2.304 20 0 FEADMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000833826462 606029291 /nfs/dbraw/zinc/02/92/91/606029291.db2.gz HAHDPQQIPZKNDG-FZKQIMNGSA-N -1 1 357.414 2.304 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821446426 606105117 /nfs/dbraw/zinc/10/51/17/606105117.db2.gz AKNKISVXXJPZQH-BORLJHCYSA-N -1 1 360.896 2.468 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821446426 606105119 /nfs/dbraw/zinc/10/51/19/606105119.db2.gz AKNKISVXXJPZQH-BORLJHCYSA-N -1 1 360.896 2.468 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820513250 606131964 /nfs/dbraw/zinc/13/19/64/606131964.db2.gz YGRITRDLEXRWDB-QWRGUYRKSA-N -1 1 371.422 2.351 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820513250 606131966 /nfs/dbraw/zinc/13/19/66/606131966.db2.gz YGRITRDLEXRWDB-QWRGUYRKSA-N -1 1 371.422 2.351 20 0 FEADMM O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440412 606133859 /nfs/dbraw/zinc/13/38/59/606133859.db2.gz SDVVELDQAQJHPR-UHFFFAOYSA-N -1 1 372.341 2.474 20 0 FEADMM O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440412 606133860 /nfs/dbraw/zinc/13/38/60/606133860.db2.gz SDVVELDQAQJHPR-UHFFFAOYSA-N -1 1 372.341 2.474 20 0 FEADMM C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820562850 606134318 /nfs/dbraw/zinc/13/43/18/606134318.db2.gz JJPDZKPAOBAFSW-NSHDSACASA-N -1 1 371.422 2.305 20 0 FEADMM C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820562850 606134320 /nfs/dbraw/zinc/13/43/20/606134320.db2.gz JJPDZKPAOBAFSW-NSHDSACASA-N -1 1 371.422 2.305 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822423796 606136785 /nfs/dbraw/zinc/13/67/85/606136785.db2.gz OQSAKUBMWGWWEX-JTQLQIEISA-N -1 1 367.413 2.285 20 0 FEADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccccc1 ZINC000820939799 606138855 /nfs/dbraw/zinc/13/88/55/606138855.db2.gz YOGCFYHFPRNBOA-LBPRGKRZSA-N -1 1 371.422 2.180 20 0 FEADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccccc1 ZINC000820939799 606138858 /nfs/dbraw/zinc/13/88/58/606138858.db2.gz YOGCFYHFPRNBOA-LBPRGKRZSA-N -1 1 371.422 2.180 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C(C)(C)C1 ZINC000820767104 606145705 /nfs/dbraw/zinc/14/57/05/606145705.db2.gz GDRCPVPVIZLXCB-VIFPVBQESA-N -1 1 355.851 2.329 20 0 FEADMM CN(Cc1cccc2ccccc21)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821614579 606162336 /nfs/dbraw/zinc/16/23/36/606162336.db2.gz LYXXNYMJEDZGFM-UHFFFAOYSA-N -1 1 362.397 2.417 20 0 FEADMM CN(Cc1cccc2ccccc21)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821614579 606162338 /nfs/dbraw/zinc/16/23/38/606162338.db2.gz LYXXNYMJEDZGFM-UHFFFAOYSA-N -1 1 362.397 2.417 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000822614741 606168742 /nfs/dbraw/zinc/16/87/42/606168742.db2.gz QRCXNMGRJQFDGC-DZGCQCFKSA-N -1 1 366.429 2.448 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000822614741 606168744 /nfs/dbraw/zinc/16/87/44/606168744.db2.gz QRCXNMGRJQFDGC-DZGCQCFKSA-N -1 1 366.429 2.448 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCSc3c(F)cccc32)n1 ZINC000822614980 606169315 /nfs/dbraw/zinc/16/93/15/606169315.db2.gz YPNCRDUAQGEABH-NSHDSACASA-N -1 1 374.405 2.098 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCSc3c(F)cccc32)n1 ZINC000822614980 606169316 /nfs/dbraw/zinc/16/93/16/606169316.db2.gz YPNCRDUAQGEABH-NSHDSACASA-N -1 1 374.405 2.098 20 0 FEADMM C[C@@]1([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCOC1=O ZINC000810103990 674532001 /nfs/dbraw/zinc/53/20/01/674532001.db2.gz VCVAJKGTOJVKDX-SECBINFHSA-N -1 1 374.665 2.148 20 0 FEADMM C[C@]1([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCOC1=O ZINC000810103991 674532052 /nfs/dbraw/zinc/53/20/52/674532052.db2.gz VCVAJKGTOJVKDX-VIFPVBQESA-N -1 1 374.665 2.148 20 0 FEADMM O=C(OC[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397585 606181229 /nfs/dbraw/zinc/18/12/29/606181229.db2.gz XWCKEQUZSZRZLB-NSHDSACASA-N -1 1 369.406 2.138 20 0 FEADMM O=C(OC[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397585 606181231 /nfs/dbraw/zinc/18/12/31/606181231.db2.gz XWCKEQUZSZRZLB-NSHDSACASA-N -1 1 369.406 2.138 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCOC1CCC1 ZINC000822542473 606182368 /nfs/dbraw/zinc/18/23/68/606182368.db2.gz XXPLSMLNSGWTBY-UHFFFAOYSA-N -1 1 357.370 2.285 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCOC1CCC1 ZINC000822542473 606182370 /nfs/dbraw/zinc/18/23/70/606182370.db2.gz XXPLSMLNSGWTBY-UHFFFAOYSA-N -1 1 357.370 2.285 20 0 FEADMM C[C@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(=O)c1ccccc1 ZINC000820225144 606293858 /nfs/dbraw/zinc/29/38/58/606293858.db2.gz BUOHSNAYJFUCJF-LLVKDONJSA-N -1 1 351.366 2.420 20 0 FEADMM CCCOc1ccc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821134088 606295379 /nfs/dbraw/zinc/29/53/79/606295379.db2.gz NOAZHZFDCJHJEC-UHFFFAOYSA-N -1 1 369.381 2.379 20 0 FEADMM O=C(C[C@H]1OCCc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822945443 606295917 /nfs/dbraw/zinc/29/59/17/606295917.db2.gz FLYRSAIXAICOBY-MRXNPFEDSA-N -1 1 351.366 2.215 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000823484387 606488597 /nfs/dbraw/zinc/48/85/97/606488597.db2.gz WYRRFCPTJMLOOF-UHFFFAOYSA-N -1 1 358.402 2.030 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000823484387 606488598 /nfs/dbraw/zinc/48/85/98/606488598.db2.gz WYRRFCPTJMLOOF-UHFFFAOYSA-N -1 1 358.402 2.030 20 0 FEADMM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372463 606516179 /nfs/dbraw/zinc/51/61/79/606516179.db2.gz FEBDOWURMFEUBL-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372463 606516181 /nfs/dbraw/zinc/51/61/81/606516181.db2.gz FEBDOWURMFEUBL-UHFFFAOYSA-N -1 1 351.395 2.425 20 0 FEADMM O=C(Nc1ccccc1CN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823373124 606518230 /nfs/dbraw/zinc/51/82/30/606518230.db2.gz QWYMYRODMUIRON-UHFFFAOYSA-N -1 1 370.438 2.013 20 0 FEADMM O=C(Nc1ccccc1CN1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823373124 606518232 /nfs/dbraw/zinc/51/82/32/606518232.db2.gz QWYMYRODMUIRON-UHFFFAOYSA-N -1 1 370.438 2.013 20 0 FEADMM O=C(NCCNc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823206793 606525048 /nfs/dbraw/zinc/52/50/48/606525048.db2.gz VVNVAMQOINZGDI-UHFFFAOYSA-N -1 1 371.451 2.380 20 0 FEADMM O=C(NCCNc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823206793 606525050 /nfs/dbraw/zinc/52/50/50/606525050.db2.gz VVNVAMQOINZGDI-UHFFFAOYSA-N -1 1 371.451 2.380 20 0 FEADMM O=C(NCc1cccc(Cn2cccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823257868 606530167 /nfs/dbraw/zinc/53/01/67/606530167.db2.gz WNONQMCYPXOWOR-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM O=C(NCc1cccc(Cn2cccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823257868 606530168 /nfs/dbraw/zinc/53/01/68/606530168.db2.gz WNONQMCYPXOWOR-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823435902 606648572 /nfs/dbraw/zinc/64/85/72/606648572.db2.gz DCLCNHHVAGXKGD-DGCLKSJQSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823435902 606648573 /nfs/dbraw/zinc/64/85/73/606648573.db2.gz DCLCNHHVAGXKGD-DGCLKSJQSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000823436422 606650890 /nfs/dbraw/zinc/65/08/90/606650890.db2.gz VCCKPNMHLTUKNS-UHFFFAOYSA-N -1 1 374.360 2.178 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000823436422 606650891 /nfs/dbraw/zinc/65/08/91/606650891.db2.gz VCCKPNMHLTUKNS-UHFFFAOYSA-N -1 1 374.360 2.178 20 0 FEADMM CCOc1cc(C(=O)NC[C@H](CO)Cc2cccnc2)cc(Cl)c1[O-] ZINC000559463496 674544099 /nfs/dbraw/zinc/54/40/99/674544099.db2.gz XSQWFGUWSNAXIS-CYBMUJFWSA-N -1 1 364.829 2.420 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCSC2)c1-c1nn[n-]n1 ZINC000822486512 606798273 /nfs/dbraw/zinc/79/82/73/606798273.db2.gz MMEKARADXFWAQE-LBPRGKRZSA-N -1 1 370.438 2.157 20 0 FEADMM CC[C@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820981337 606843414 /nfs/dbraw/zinc/84/34/14/606843414.db2.gz RGAWHQWTRNCHIR-LBPRGKRZSA-N -1 1 353.423 2.349 20 0 FEADMM CC(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820067166 606844506 /nfs/dbraw/zinc/84/45/06/606844506.db2.gz FHPHNHVTKBJDAD-NSHDSACASA-N -1 1 353.423 2.063 20 0 FEADMM COC(=O)c1ccc(COC(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000821669308 606899497 /nfs/dbraw/zinc/89/94/97/606899497.db2.gz FRYBIFQTTNWTOM-UHFFFAOYSA-N -1 1 350.381 2.133 20 0 FEADMM CCNc1nnc(Sc2nnc(CC)c(CC)c2-c2nn[n-]n2)s1 ZINC000821313432 606918781 /nfs/dbraw/zinc/91/87/81/606918781.db2.gz FKSODSRFOBQPCH-UHFFFAOYSA-N -1 1 363.476 2.216 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C[C@H]2CC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548289 607090861 /nfs/dbraw/zinc/09/08/61/607090861.db2.gz HGTIVIYKHLMZEQ-CABZTGNLSA-N -1 1 361.402 2.385 20 0 FEADMM Cc1nc(-c2c[nH]c(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c2)cs1 ZINC000822419242 607106751 /nfs/dbraw/zinc/10/67/51/607106751.db2.gz NSWVWWGVZOQITN-UHFFFAOYSA-N -1 1 358.412 2.336 20 0 FEADMM Cc1nc(-c2c[nH]c(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c2)cs1 ZINC000822419242 607106752 /nfs/dbraw/zinc/10/67/52/607106752.db2.gz NSWVWWGVZOQITN-UHFFFAOYSA-N -1 1 358.412 2.336 20 0 FEADMM CCc1cccnc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825728695 607781802 /nfs/dbraw/zinc/78/18/02/607781802.db2.gz WLUGFJHCCSZBRP-UHFFFAOYSA-N -1 1 367.413 2.113 20 0 FEADMM Cn1cc(-c2nc(COc3cccc(F)c3-c3nnn[n-]3)cs2)cn1 ZINC000826356421 607863919 /nfs/dbraw/zinc/86/39/19/607863919.db2.gz PSRCBQPBBFBPRO-UHFFFAOYSA-N -1 1 357.374 2.442 20 0 FEADMM Cn1cc(-c2nc(COc3cccc(F)c3-c3nn[n-]n3)cs2)cn1 ZINC000826356421 607863920 /nfs/dbraw/zinc/86/39/20/607863920.db2.gz PSRCBQPBBFBPRO-UHFFFAOYSA-N -1 1 357.374 2.442 20 0 FEADMM Fc1cccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c1-c1nnn[n-]1 ZINC000826378168 607867025 /nfs/dbraw/zinc/86/70/25/607867025.db2.gz YQJYTVLUTXVDRF-UHFFFAOYSA-N -1 1 366.238 2.255 20 0 FEADMM Fc1cccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c1-c1nn[n-]n1 ZINC000826378168 607867026 /nfs/dbraw/zinc/86/70/26/607867026.db2.gz YQJYTVLUTXVDRF-UHFFFAOYSA-N -1 1 366.238 2.255 20 0 FEADMM CCN(CC(=O)Nc1c(F)cccc1F)c1cccc(-c2nnn[n-]2)n1 ZINC000825395934 607894678 /nfs/dbraw/zinc/89/46/78/607894678.db2.gz YJJHQOPSHYLZCK-UHFFFAOYSA-N -1 1 359.340 2.005 20 0 FEADMM CCN(CC(=O)Nc1c(F)cccc1F)c1cccc(-c2nn[n-]n2)n1 ZINC000825395934 607894679 /nfs/dbraw/zinc/89/46/79/607894679.db2.gz YJJHQOPSHYLZCK-UHFFFAOYSA-N -1 1 359.340 2.005 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825213512 607904865 /nfs/dbraw/zinc/90/48/65/607904865.db2.gz ZIKGXQIFIVOLSO-ZFWWWQNUSA-N -1 1 365.441 2.474 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825213512 607904866 /nfs/dbraw/zinc/90/48/66/607904866.db2.gz ZIKGXQIFIVOLSO-ZFWWWQNUSA-N -1 1 365.441 2.474 20 0 FEADMM CC(C)Oc1cccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000824334479 607911640 /nfs/dbraw/zinc/91/16/40/607911640.db2.gz VKLIXWFYIGOIST-UHFFFAOYSA-N -1 1 352.398 2.321 20 0 FEADMM CC(C)Oc1cccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000824334479 607911641 /nfs/dbraw/zinc/91/16/41/607911641.db2.gz VKLIXWFYIGOIST-UHFFFAOYSA-N -1 1 352.398 2.321 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(c2ccccc2)CCOCC1 ZINC000826450982 607998308 /nfs/dbraw/zinc/99/83/08/607998308.db2.gz LEOSZCCEILTAPA-UHFFFAOYSA-N -1 1 365.393 2.259 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(Cc1ccccc1)c1ccccc1 ZINC000826424849 608013728 /nfs/dbraw/zinc/01/37/28/608013728.db2.gz GMNKREFGMOLEKU-UHFFFAOYSA-N -1 1 359.393 2.297 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(Cc1ccccc1)c1ccccc1 ZINC000826424849 608013729 /nfs/dbraw/zinc/01/37/29/608013729.db2.gz GMNKREFGMOLEKU-UHFFFAOYSA-N -1 1 359.393 2.297 20 0 FEADMM Cc1oc(NC(=O)[C@@H](C)N(C)OCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341650 608063944 /nfs/dbraw/zinc/06/39/44/608063944.db2.gz MROIUKWCRYOQIE-GFCCVEGCSA-N -1 1 370.413 2.467 20 0 FEADMM Cc1cc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)on1 ZINC000826267585 608111784 /nfs/dbraw/zinc/11/17/84/608111784.db2.gz LZDMSVCEARMARJ-UHFFFAOYSA-N -1 1 354.326 2.212 20 0 FEADMM Cc1cc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)on1 ZINC000826267585 608111785 /nfs/dbraw/zinc/11/17/85/608111785.db2.gz LZDMSVCEARMARJ-UHFFFAOYSA-N -1 1 354.326 2.212 20 0 FEADMM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1sccc1-c1nn[n-]n1 ZINC000826480631 608197721 /nfs/dbraw/zinc/19/77/21/608197721.db2.gz JZTXUTHFOGANMJ-UHFFFAOYSA-N -1 1 355.379 2.422 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@]1(C)CCOC1 ZINC000826340927 608200591 /nfs/dbraw/zinc/20/05/91/608200591.db2.gz PGJOLEOSTQCQAJ-QGZVFWFLSA-N -1 1 357.370 2.142 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@]1(C)CCOC1 ZINC000826340927 608200593 /nfs/dbraw/zinc/20/05/93/608200593.db2.gz PGJOLEOSTQCQAJ-QGZVFWFLSA-N -1 1 357.370 2.142 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cncnc1-c1ccccc1 ZINC000826467301 608323070 /nfs/dbraw/zinc/32/30/70/608323070.db2.gz PSCGPPHGZGXFFM-UHFFFAOYSA-N -1 1 359.349 2.076 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cncnc1-c1ccccc1 ZINC000826467301 608323071 /nfs/dbraw/zinc/32/30/71/608323071.db2.gz PSCGPPHGZGXFFM-UHFFFAOYSA-N -1 1 359.349 2.076 20 0 FEADMM CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1cccc(C)c1 ZINC000825796758 608393221 /nfs/dbraw/zinc/39/32/21/608393221.db2.gz MNVPZHXDHXKBTG-UHFFFAOYSA-N -1 1 365.426 2.395 20 0 FEADMM CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1cccc(C)c1 ZINC000825796758 608393223 /nfs/dbraw/zinc/39/32/23/608393223.db2.gz MNVPZHXDHXKBTG-UHFFFAOYSA-N -1 1 365.426 2.395 20 0 FEADMM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367220 608403633 /nfs/dbraw/zinc/40/36/33/608403633.db2.gz PZFIDWTWRVHBKJ-KNVOCYPGSA-N -1 1 367.257 2.224 20 0 FEADMM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367220 608403635 /nfs/dbraw/zinc/40/36/35/608403635.db2.gz PZFIDWTWRVHBKJ-KNVOCYPGSA-N -1 1 367.257 2.224 20 0 FEADMM FC(F)(F)COc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826367524 608403955 /nfs/dbraw/zinc/40/39/55/608403955.db2.gz BZKWBSJKTPWYQS-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826367524 608403957 /nfs/dbraw/zinc/40/39/57/608403957.db2.gz BZKWBSJKTPWYQS-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)cc(Cl)c1 ZINC000826503073 608422000 /nfs/dbraw/zinc/42/20/00/608422000.db2.gz PZJKOHLXDNEWPL-NSHDSACASA-N -1 1 352.185 2.109 20 0 FEADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)cc(Cl)c1 ZINC000826503073 608422001 /nfs/dbraw/zinc/42/20/01/608422001.db2.gz PZJKOHLXDNEWPL-NSHDSACASA-N -1 1 352.185 2.109 20 0 FEADMM CCCN(CC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825307710 608434050 /nfs/dbraw/zinc/43/40/50/608434050.db2.gz MWVZHKQVXLAYRU-UHFFFAOYSA-N -1 1 372.820 2.165 20 0 FEADMM CCCN(CC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825307710 608434051 /nfs/dbraw/zinc/43/40/51/608434051.db2.gz MWVZHKQVXLAYRU-UHFFFAOYSA-N -1 1 372.820 2.165 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](c1cccs1)N1CCOCC1 ZINC000826281008 608541610 /nfs/dbraw/zinc/54/16/10/608541610.db2.gz ZJUNYPBJDMEPFC-CQSZACIVSA-N -1 1 371.470 2.117 20 0 FEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010712 608553547 /nfs/dbraw/zinc/55/35/47/608553547.db2.gz PDTAUXNJMBFPQE-BBRMVZONSA-N -1 1 369.816 2.299 20 0 FEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010712 608553549 /nfs/dbraw/zinc/55/35/49/608553549.db2.gz PDTAUXNJMBFPQE-BBRMVZONSA-N -1 1 369.816 2.299 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1COC2(CCCCC2)O1 ZINC000826523101 608586470 /nfs/dbraw/zinc/58/64/70/608586470.db2.gz ALKBLQJCOQMATJ-LBPRGKRZSA-N -1 1 367.413 2.298 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1COC2(CCCCC2)O1 ZINC000826523101 608586471 /nfs/dbraw/zinc/58/64/71/608586471.db2.gz ALKBLQJCOQMATJ-LBPRGKRZSA-N -1 1 367.413 2.298 20 0 FEADMM O=C(C1CCCCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826399499 608637525 /nfs/dbraw/zinc/63/75/25/608637525.db2.gz XMIRXFZVOZMCRE-UHFFFAOYSA-N -1 1 360.487 2.153 20 0 FEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ncn(-c3ccccc3)n2)n1 ZINC000826324117 608886675 /nfs/dbraw/zinc/88/66/75/608886675.db2.gz FFEJUPGRGCZLNY-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM CC[C@@H](C)Oc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC000825076184 609245233 /nfs/dbraw/zinc/24/52/33/609245233.db2.gz UHQMFFFXMHCXOC-LLVKDONJSA-N -1 1 354.370 2.191 20 0 FEADMM CC[C@@H](C)Oc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC000825076184 609245234 /nfs/dbraw/zinc/24/52/34/609245234.db2.gz UHQMFFFXMHCXOC-LLVKDONJSA-N -1 1 354.370 2.191 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826293795 609264319 /nfs/dbraw/zinc/26/43/19/609264319.db2.gz BQXAWLPRCISGOM-BMLIUANNSA-N -1 1 352.398 2.064 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1-c1nn[n-]n1 ZINC000826293795 609264320 /nfs/dbraw/zinc/26/43/20/609264320.db2.gz BQXAWLPRCISGOM-BMLIUANNSA-N -1 1 352.398 2.064 20 0 FEADMM Cc1cccnc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826308003 609289248 /nfs/dbraw/zinc/28/92/48/609289248.db2.gz FKRJDOABWJVBNW-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1noc(C)c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826337892 609291023 /nfs/dbraw/zinc/29/10/23/609291023.db2.gz DGPHDHMUSMAEDA-UHFFFAOYSA-N -1 1 368.332 2.049 20 0 FEADMM C/C(=C/C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000823943929 609292003 /nfs/dbraw/zinc/29/20/03/609292003.db2.gz VIYYOABAYRZCRR-KTKRTIGZSA-N -1 1 353.361 2.486 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N([C@H](C)C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000826229896 609299196 /nfs/dbraw/zinc/29/91/96/609299196.db2.gz WCRWRFBEFHICGK-MRVPVSSYSA-N -1 1 360.443 2.092 20 0 FEADMM C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824945287 609358028 /nfs/dbraw/zinc/35/80/28/609358028.db2.gz AXZFCKNUUVFWSM-JTQLQIEISA-N -1 1 356.365 2.065 20 0 FEADMM CC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824945220 609362979 /nfs/dbraw/zinc/36/29/79/609362979.db2.gz AMHOHVBNQGYSKB-UHFFFAOYSA-N -1 1 370.392 2.455 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C[C@@H]2CCC[C@H]21 ZINC000826458588 609364728 /nfs/dbraw/zinc/36/47/28/609364728.db2.gz WQUWNPOOVYPKML-CMPLNLGQSA-N -1 1 368.376 2.208 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C[C@@H]2CCC[C@@H]21 ZINC000826458589 609365235 /nfs/dbraw/zinc/36/52/35/609365235.db2.gz WQUWNPOOVYPKML-JQWIXIFHSA-N -1 1 368.376 2.208 20 0 FEADMM O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427612 609406720 /nfs/dbraw/zinc/40/67/20/609406720.db2.gz VLJFIRBHPAARMW-MRXNPFEDSA-N -1 1 374.326 2.396 20 0 FEADMM O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427612 609406722 /nfs/dbraw/zinc/40/67/22/609406722.db2.gz VLJFIRBHPAARMW-MRXNPFEDSA-N -1 1 374.326 2.396 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000826165304 609423480 /nfs/dbraw/zinc/42/34/80/609423480.db2.gz OAVDAGPDEAZIGF-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM CC(C)c1nc([C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000824358302 609494160 /nfs/dbraw/zinc/49/41/60/609494160.db2.gz GJQPLFGWRBNUEE-NSHDSACASA-N -1 1 361.431 2.008 20 0 FEADMM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826493022 609531177 /nfs/dbraw/zinc/53/11/77/609531177.db2.gz PDPYTGKLTPSCJX-UHFFFAOYSA-N -1 1 369.765 2.166 20 0 FEADMM COc1cccc(CC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000826216353 609588343 /nfs/dbraw/zinc/58/83/43/609588343.db2.gz VGYZGASJCIZMPO-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM COc1cccc(CC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000826216353 609588345 /nfs/dbraw/zinc/58/83/45/609588345.db2.gz VGYZGASJCIZMPO-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM Fc1ccc(-c2noc(CCCNc3cccc(-c4nnn[n-]4)n3)n2)cc1 ZINC000826373580 609589350 /nfs/dbraw/zinc/58/93/50/609589350.db2.gz RDMJNDMXHYMSLO-UHFFFAOYSA-N -1 1 366.360 2.496 20 0 FEADMM Fc1ccc(-c2noc(CCCNc3cccc(-c4nn[n-]n4)n3)n2)cc1 ZINC000826373580 609589351 /nfs/dbraw/zinc/58/93/51/609589351.db2.gz RDMJNDMXHYMSLO-UHFFFAOYSA-N -1 1 366.360 2.496 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccccc3OC(F)(F)F)ccnc1-2 ZINC000559840882 674558139 /nfs/dbraw/zinc/55/81/39/674558139.db2.gz TXPUAYGARBUIGI-UHFFFAOYSA-N -1 1 372.328 2.041 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CN1c1ccc(F)cc1 ZINC000560034844 674564688 /nfs/dbraw/zinc/56/46/88/674564688.db2.gz HBJBUNVIPXZEGJ-ZDUSSCGKSA-N -1 1 372.780 2.312 20 0 FEADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1F ZINC000560448375 674588714 /nfs/dbraw/zinc/58/87/14/674588714.db2.gz OPZZUWKELYEJIV-UHFFFAOYSA-N -1 1 364.354 2.160 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)ccc1F ZINC000811708360 674622007 /nfs/dbraw/zinc/62/20/07/674622007.db2.gz NYEYGYYTQCMAEN-UHFFFAOYSA-N -1 1 352.299 2.172 20 0 FEADMM O=C(NOC/C=C/Cl)c1ccc(I)c([O-])c1 ZINC000812402539 674672742 /nfs/dbraw/zinc/67/27/42/674672742.db2.gz FZCFNMHCYNXLGV-DAFODLJHSA-N -1 1 353.543 2.411 20 0 FEADMM CC(C)OCCONC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000812949162 674707643 /nfs/dbraw/zinc/70/76/43/674707643.db2.gz QAJPMGGOVRKVKZ-UHFFFAOYSA-N -1 1 350.415 2.353 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCOCC2)C1)c1cc2ccccc2o1 ZINC000562372453 674747408 /nfs/dbraw/zinc/74/74/08/674747408.db2.gz JLKCHFDFNCIZCG-CQSZACIVSA-N -1 1 351.424 2.439 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(F)cc1F ZINC000644275130 677241023 /nfs/dbraw/zinc/24/10/23/677241023.db2.gz LLYRMQSIGDVDGG-PELKAZGASA-N -1 1 359.316 2.397 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000813750700 674777011 /nfs/dbraw/zinc/77/70/11/674777011.db2.gz AEVCRIMDHROGGY-UHFFFAOYSA-N -1 1 357.844 2.107 20 0 FEADMM Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CCO1 ZINC000562733114 674797465 /nfs/dbraw/zinc/79/74/65/674797465.db2.gz PAKUSVFTGVCSJL-CABZTGNLSA-N -1 1 361.876 2.334 20 0 FEADMM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCc1cn[nH]n1 ZINC000814021350 674810980 /nfs/dbraw/zinc/81/09/80/674810980.db2.gz HDWXOEGPCWMFOJ-OAHLLOKOSA-N -1 1 350.444 2.115 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1ccc(Cl)c2nonc21 ZINC000814377941 674835509 /nfs/dbraw/zinc/83/55/09/674835509.db2.gz GPTKPWCNKHHVAJ-YFKPBYRVSA-N -1 1 356.618 2.348 20 0 FEADMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C1CC1 ZINC000645718749 677269707 /nfs/dbraw/zinc/26/97/07/677269707.db2.gz HDMQNIBRSBFLBF-NSHDSACASA-N -1 1 352.378 2.176 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccco1 ZINC000814387764 674838589 /nfs/dbraw/zinc/83/85/89/674838589.db2.gz ZVUUVFDDPFEGFD-VIFPVBQESA-N -1 1 357.775 2.135 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000564334516 674997300 /nfs/dbraw/zinc/99/73/00/674997300.db2.gz UPHQUSXAKBJQAI-NSHDSACASA-N -1 1 358.423 2.667 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1cc(Cl)nc(C)n1 ZINC001048643901 675012827 /nfs/dbraw/zinc/01/28/27/675012827.db2.gz ZLJZJTUIRFGXEW-NWDGAFQWSA-N -1 1 361.833 2.326 20 0 FEADMM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000564549889 675034724 /nfs/dbraw/zinc/03/47/24/675034724.db2.gz DYTVRKJNZMWPLQ-UHFFFAOYSA-N -1 1 363.391 2.210 20 0 FEADMM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000816333528 675047721 /nfs/dbraw/zinc/04/77/21/675047721.db2.gz OEFDZYHHWHFMCG-SFHVURJKSA-N -1 1 370.490 2.462 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C(=O)O1 ZINC000816623741 675068952 /nfs/dbraw/zinc/06/89/52/675068952.db2.gz JBUFGPBEYIMBSK-BXKDBHETSA-N -1 1 350.371 2.173 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C ZINC000024222587 670053560 /nfs/dbraw/zinc/05/35/60/670053560.db2.gz GJYKPFJMICRTBH-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000027967283 670084238 /nfs/dbraw/zinc/08/42/38/670084238.db2.gz CWJQMISWMATVKU-UHFFFAOYSA-N -1 1 369.752 2.451 20 0 FEADMM CCN(CC)C(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000030373966 670108875 /nfs/dbraw/zinc/10/88/75/670108875.db2.gz YULAARDMHSTUMB-UHFFFAOYSA-N -1 1 365.455 2.252 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cc(Br)ccc21)c1nn[n-]n1 ZINC000565021294 675087195 /nfs/dbraw/zinc/08/71/95/675087195.db2.gz UIGKGBMZGAVLJJ-ZANVPECISA-N -1 1 364.247 2.254 20 0 FEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(CN2CCOCC2)CC1 ZINC000816886737 675084292 /nfs/dbraw/zinc/08/42/92/675084292.db2.gz FZRYJVOJPALYMJ-UHFFFAOYSA-N -1 1 361.467 2.301 20 0 FEADMM O=C1OCCN1c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000047266924 670237538 /nfs/dbraw/zinc/23/75/38/670237538.db2.gz DYFNLRKPKWZXMX-UHFFFAOYSA-N -1 1 368.361 2.400 20 0 FEADMM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc2c(c1)CCCC2 ZINC000047328495 670239915 /nfs/dbraw/zinc/23/99/15/670239915.db2.gz CFUKKJJVWLKSEN-UHFFFAOYSA-N -1 1 355.423 2.342 20 0 FEADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000047455094 670242434 /nfs/dbraw/zinc/24/24/34/670242434.db2.gz CWHUREHRBCYBLD-UHFFFAOYSA-N -1 1 364.379 2.437 20 0 FEADMM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000817027213 675093850 /nfs/dbraw/zinc/09/38/50/675093850.db2.gz HDIVLWADBZRWMS-LBPRGKRZSA-N -1 1 357.414 2.166 20 0 FEADMM Cc1ccc(CCCC(=O)OCC(=O)N[N-]C(=O)c2cccs2)cc1 ZINC000051748486 670303832 /nfs/dbraw/zinc/30/38/32/670303832.db2.gz JWELKRJJUFJKFK-UHFFFAOYSA-N -1 1 360.435 2.384 20 0 FEADMM CC(C)CN1C(=O)C(=CNCCCOC2CCCCC2)C(=O)[N-]C1=S ZINC000052536839 670314940 /nfs/dbraw/zinc/31/49/40/670314940.db2.gz MPQHPCHFVZILDX-PTNGSMBKSA-N -1 1 367.515 2.099 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)CCCOc2ccc(Cl)cc2C)n[nH]1 ZINC000054146765 670333063 /nfs/dbraw/zinc/33/30/63/670333063.db2.gz ORJCRIAENQWWLA-UHFFFAOYSA-N -1 1 350.806 2.300 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC2(CCO)CC2)c1)OCC(F)(F)F ZINC000817132148 675100783 /nfs/dbraw/zinc/10/07/83/675100783.db2.gz HPKYHWOXRILGTF-UHFFFAOYSA-N -1 1 362.304 2.148 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nnc(C2CC2)o1 ZINC000062294187 670400043 /nfs/dbraw/zinc/40/00/43/670400043.db2.gz AVTUOWOMCWVJDW-UHFFFAOYSA-N -1 1 351.384 2.066 20 0 FEADMM CCn1c(CNC(=O)CSc2ccc3c(c2)OCCO3)n[n-]c1=S ZINC000066636915 670445040 /nfs/dbraw/zinc/44/50/40/670445040.db2.gz TZLDKFJQKXZZTC-UHFFFAOYSA-N -1 1 366.468 2.140 20 0 FEADMM CCOCCOc1ccccc1C(=O)NCc1n[n-]c(=S)n1CC ZINC000066635977 670445094 /nfs/dbraw/zinc/44/50/94/670445094.db2.gz RIDDSBNRXANMTI-UHFFFAOYSA-N -1 1 350.444 2.306 20 0 FEADMM CC(=O)N[C@H](C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1)C(C)C ZINC000068446747 670471319 /nfs/dbraw/zinc/47/13/19/670471319.db2.gz MNJXEKQKXBUKQS-AWEZNQCLSA-N -1 1 367.519 2.388 20 0 FEADMM O=C(NN1CC(=O)[N-]C1=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000072706921 670497559 /nfs/dbraw/zinc/49/75/59/670497559.db2.gz ZUPPSLBISIVFAV-UHFFFAOYSA-N -1 1 352.375 2.160 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c1 ZINC000073743633 670506682 /nfs/dbraw/zinc/50/66/82/670506682.db2.gz VUXKLFXJPIMOTN-UHFFFAOYSA-N -1 1 362.451 2.426 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(CCCc3nc(-c4cccs4)no3)C2)n[nH]1 ZINC000569149374 670517147 /nfs/dbraw/zinc/51/71/47/670517147.db2.gz NATXPKYUPCYZEW-NSHDSACASA-N -1 1 360.443 2.434 20 0 FEADMM Cc1cnc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cn1 ZINC000817294249 675118596 /nfs/dbraw/zinc/11/85/96/675118596.db2.gz QPLZLGUQAIPUIK-AWEZNQCLSA-N -1 1 350.344 2.395 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000569532541 670573984 /nfs/dbraw/zinc/57/39/84/670573984.db2.gz VLENUHIBTBLBLN-KGLIPLIRSA-N -1 1 365.455 2.227 20 0 FEADMM Cc1cc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)ncn1 ZINC000817294542 675118862 /nfs/dbraw/zinc/11/88/62/675118862.db2.gz SBKBXRSACQWIJH-AWEZNQCLSA-N -1 1 350.344 2.395 20 0 FEADMM N#C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1cccc(Cl)c1Cl ZINC000080161140 670617927 /nfs/dbraw/zinc/61/79/27/670617927.db2.gz LISCEHZSCGMHFQ-RKDXNWHRSA-N -1 1 357.222 2.021 20 0 FEADMM O=C(N[N-]C(=O)c1cc(F)ccc1Br)N[C@@H]1CCSC1 ZINC000080518334 670626123 /nfs/dbraw/zinc/62/61/23/670626123.db2.gz JOXRSLIHOOOCTM-MRVPVSSYSA-N -1 1 362.224 2.038 20 0 FEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000817356801 675124494 /nfs/dbraw/zinc/12/44/94/675124494.db2.gz UUIJVWBNUONLKS-MRXNPFEDSA-N -1 1 361.419 2.356 20 0 FEADMM C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000081992859 670651571 /nfs/dbraw/zinc/65/15/71/670651571.db2.gz CPQCKUBLDNIOFF-XHDPSFHLSA-N -1 1 354.435 2.273 20 0 FEADMM CCc1nc(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)[n-]c(=O)c1C ZINC000570107290 670661887 /nfs/dbraw/zinc/66/18/87/670661887.db2.gz LAZJJGXCBUEENF-KBPBESRZSA-N -1 1 351.472 2.315 20 0 FEADMM NC(=O)C1([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000817440861 675133619 /nfs/dbraw/zinc/13/36/19/675133619.db2.gz XZDHQTOMOZCNQW-UHFFFAOYSA-N -1 1 367.179 2.236 20 0 FEADMM Cn1ccc(C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC000817491241 675138503 /nfs/dbraw/zinc/13/85/03/675138503.db2.gz WXYFFWYRCFSQJV-ZDUSSCGKSA-N -1 1 351.328 2.275 20 0 FEADMM CC(C)OC(=O)CNC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000104127249 670790464 /nfs/dbraw/zinc/79/04/64/670790464.db2.gz AKFWCZAIKBDIBU-UHFFFAOYSA-N -1 1 354.457 2.127 20 0 FEADMM CC(C)(C)OC(=O)NCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105620942 670804541 /nfs/dbraw/zinc/80/45/41/670804541.db2.gz JGERCTNALSIDFE-UHFFFAOYSA-N -1 1 368.377 2.297 20 0 FEADMM CC(C)OC(=O)N1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000112707404 670875278 /nfs/dbraw/zinc/87/52/78/670875278.db2.gz UKQOQVZQZLNONX-UHFFFAOYSA-N -1 1 362.398 2.253 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCNc2ccc3ccccc3n2)sc1C ZINC000571612069 670900672 /nfs/dbraw/zinc/90/06/72/670900672.db2.gz IYMAKUBNXGWTGA-UHFFFAOYSA-N -1 1 362.480 2.699 20 0 FEADMM COc1ccnc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)c1 ZINC000116442231 670905603 /nfs/dbraw/zinc/90/56/03/670905603.db2.gz VNYPZOGJLYFHEQ-UHFFFAOYSA-N -1 1 362.440 2.181 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c1 ZINC000116487537 670906026 /nfs/dbraw/zinc/90/60/26/670906026.db2.gz REMVYSJKTPFHNF-UHFFFAOYSA-N -1 1 362.363 2.142 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC2(COC)CC2)c1 ZINC000571765308 670922352 /nfs/dbraw/zinc/92/23/52/670922352.db2.gz YFXDWTJHCJXHOS-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM Cn1cc([C@H](NC(=O)c2c(F)ccc([O-])c2F)C2(CO)CCC2)cn1 ZINC000572207055 670973020 /nfs/dbraw/zinc/97/30/20/670973020.db2.gz QCTABEJVTNWUQS-HNNXBMFYSA-N -1 1 351.353 2.038 20 0 FEADMM CCOC(=O)[C@H](F)C1CN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000817697453 675162682 /nfs/dbraw/zinc/16/26/82/675162682.db2.gz DFTLEVIKPUYWDH-GFCCVEGCSA-N -1 1 360.179 2.128 20 0 FEADMM CCOC(=O)C(C)(C)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000573511067 671131714 /nfs/dbraw/zinc/13/17/14/671131714.db2.gz CNTQGMNOCOWWGU-UHFFFAOYSA-N -1 1 360.407 2.115 20 0 FEADMM CO[C@H](CS(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CC1 ZINC000573966352 671186902 /nfs/dbraw/zinc/18/69/02/671186902.db2.gz VLIPUNMOIZPXRH-CQSZACIVSA-N -1 1 357.428 2.339 20 0 FEADMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)C(=O)OC ZINC000574274009 671221161 /nfs/dbraw/zinc/22/11/61/671221161.db2.gz ZMXMFKFHMLZZDJ-NUEKZKHPSA-N -1 1 357.472 2.271 20 0 FEADMM Cc1c(=O)[n-]c(SCCN2C(=O)N[C@@H](C)C2=O)nc1-c1ccccc1 ZINC000574781136 671276462 /nfs/dbraw/zinc/27/64/62/671276462.db2.gz DILSVFOCXFEAHK-NSHDSACASA-N -1 1 358.423 2.190 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCOc1cncc(Cl)c1 ZINC000574882553 671283311 /nfs/dbraw/zinc/28/33/11/671283311.db2.gz PSTFGXSDRYHACA-UHFFFAOYSA-N -1 1 354.819 2.070 20 0 FEADMM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000575756668 671318600 /nfs/dbraw/zinc/31/86/00/671318600.db2.gz WTYZNMPIGDWDLE-MNOVXSKESA-N -1 1 368.231 2.389 20 0 FEADMM Cc1cnc(SCc2ccc(S(=O)(=O)N3CCCC3)o2)[n-]c1=O ZINC000576528322 671375082 /nfs/dbraw/zinc/37/50/82/671375082.db2.gz GDQBYMVMXHKINY-UHFFFAOYSA-N -1 1 355.441 2.160 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000608954818 675907730 /nfs/dbraw/zinc/90/77/30/675907730.db2.gz MEJUCURCQXZZIR-UHFFFAOYSA-N -1 1 351.380 2.048 20 0 FEADMM COc1ccc(Br)cc1[C@@H]1CCCN1C[C@](C)(O)C(=O)[O-] ZINC000578448429 671666302 /nfs/dbraw/zinc/66/63/02/671666302.db2.gz XDRIGEPIRSHRCZ-WFASDCNBSA-N -1 1 358.232 2.430 20 0 FEADMM CC(C)Cc1nnc(NC(=O)CN(C)C(=O)c2cc(F)ccc2[O-])s1 ZINC000578589857 671675551 /nfs/dbraw/zinc/67/55/51/671675551.db2.gz LTWGRDSXKFIVLU-UHFFFAOYSA-N -1 1 366.418 2.292 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000578604710 671676450 /nfs/dbraw/zinc/67/64/50/671676450.db2.gz LKFNKKLPUZGOPD-BDAKNGLRSA-N -1 1 357.906 2.036 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)ccc1OC ZINC000610057181 675949159 /nfs/dbraw/zinc/94/91/59/675949159.db2.gz FAACMGBTFXPRBF-UHFFFAOYSA-N -1 1 361.379 2.159 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@H]1n1cccn1 ZINC000581204682 671873871 /nfs/dbraw/zinc/87/38/71/671873871.db2.gz VYZDVQBCYJGTIS-GZBFAFLISA-N -1 1 373.837 2.373 20 0 FEADMM COC(=O)c1cnc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c(Cl)c1 ZINC000581254652 671878953 /nfs/dbraw/zinc/87/89/53/671878953.db2.gz PAGRKRKYHSFVKC-LLVKDONJSA-N -1 1 364.851 2.324 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(F)F ZINC000581292037 671881876 /nfs/dbraw/zinc/88/18/76/671881876.db2.gz OSFRBSHUVGJSOQ-KBPBESRZSA-N -1 1 360.426 2.254 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)[C@H](C)OC ZINC000581338965 671886003 /nfs/dbraw/zinc/88/60/03/671886003.db2.gz ATFWOQIWHIWWBL-SFYZADRCSA-N -1 1 370.254 2.482 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc2o1 ZINC000119669299 671905236 /nfs/dbraw/zinc/90/52/36/671905236.db2.gz WGTYTHIBCGXAMY-UHFFFAOYSA-N -1 1 366.420 2.341 20 0 FEADMM CCCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1ccccc1 ZINC000581520570 671906518 /nfs/dbraw/zinc/90/65/18/671906518.db2.gz DBHSFSIRLGNWLS-UHFFFAOYSA-N -1 1 351.428 2.130 20 0 FEADMM O=C(CCc1cccc(OC(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000582118034 671969927 /nfs/dbraw/zinc/96/99/27/671969927.db2.gz VVYXIYKGDXSQHD-LBPRGKRZSA-N -1 1 351.357 2.140 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)c2ccc(Nc3ccncc3)cc2)s[n-]1 ZINC000582128260 671971470 /nfs/dbraw/zinc/97/14/70/671971470.db2.gz FXLQJJKZVBSFRM-NSHDSACASA-N -1 1 355.423 2.480 20 0 FEADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000582519706 672008848 /nfs/dbraw/zinc/00/88/48/672008848.db2.gz QASILYJFDAJEHK-UHFFFAOYSA-N -1 1 373.431 2.108 20 0 FEADMM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1nc(C(F)(F)F)no1 ZINC000582647352 672020995 /nfs/dbraw/zinc/02/09/95/672020995.db2.gz VAQPJAWZXMCUMH-SSDOTTSWSA-N -1 1 363.308 2.333 20 0 FEADMM Cc1cc(S(=O)(=O)N(CCN(C)C)C2CCCC2)cc(C(=O)[O-])c1F ZINC000127626340 672039555 /nfs/dbraw/zinc/03/95/55/672039555.db2.gz MUYBFUBDPFISFQ-UHFFFAOYSA-N -1 1 372.462 2.327 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CCc1cc(Cl)cs1 ZINC000128678842 672051635 /nfs/dbraw/zinc/05/16/35/672051635.db2.gz 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CC(C)Oc1ccccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536738869 673379297 /nfs/dbraw/zinc/37/92/97/673379297.db2.gz WBJQPAONXHTFAR-UHFFFAOYSA-N -1 1 350.396 2.079 20 0 FEADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732834501 673386042 /nfs/dbraw/zinc/38/60/42/673386042.db2.gz QJXXUJPEEXJFSM-JTQLQIEISA-N -1 1 350.724 2.281 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1 ZINC000733868579 673441458 /nfs/dbraw/zinc/44/14/58/673441458.db2.gz NBNBLAJTLHFMMF-UHFFFAOYSA-N -1 1 354.453 2.397 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1C ZINC000538756040 673456209 /nfs/dbraw/zinc/45/62/09/673456209.db2.gz DMCKUYVJKPRWSP-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000734417005 673462760 /nfs/dbraw/zinc/46/27/60/673462760.db2.gz ZGDOGDZBZPVXMY-QHCPKHFHSA-N -1 1 365.432 2.036 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)c(OC)c2)cc1 ZINC000539190967 673478027 /nfs/dbraw/zinc/47/80/27/673478027.db2.gz NPHMPEVFRFMQQU-UHFFFAOYSA-N -1 1 365.411 2.133 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)OC)c2)cc1 ZINC000539239289 673480473 /nfs/dbraw/zinc/48/04/73/673480473.db2.gz UDEAYOYBSJABLE-UHFFFAOYSA-N -1 1 365.407 2.186 20 0 FEADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Cl)c1Cl ZINC000735480443 673494071 /nfs/dbraw/zinc/49/40/71/673494071.db2.gz IHURNUGSENUHRU-VIFPVBQESA-N -1 1 356.209 2.111 20 0 FEADMM COC(=O)[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000735508287 673495589 /nfs/dbraw/zinc/49/55/89/673495589.db2.gz YZSWAVFKOZSTQF-MRXNPFEDSA-N -1 1 364.423 2.393 20 0 FEADMM COc1ccc(NC(=O)c2csc3cncn32)cc1[N-]S(C)(=O)=O ZINC000735846062 673504489 /nfs/dbraw/zinc/50/44/89/673504489.db2.gz QMJHJTIKOFEVHH-UHFFFAOYSA-N -1 1 366.424 2.028 20 0 FEADMM Cn1c2ccc(F)cc2nc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000735922743 673507865 /nfs/dbraw/zinc/50/78/65/673507865.db2.gz HJOLMJUGRKWSMJ-UHFFFAOYSA-N -1 1 355.341 2.469 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@]2(COC)C(=O)OC)cc(Cl)c1[O-] ZINC000597953519 673523312 /nfs/dbraw/zinc/52/33/12/673523312.db2.gz RHRJRGJOOMXDKF-KRWDZBQOSA-N -1 1 371.817 2.239 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCn1cc(Cl)cn1 ZINC000540250698 673531227 /nfs/dbraw/zinc/53/12/27/673531227.db2.gz OLAXKLLTKZPDQA-UHFFFAOYSA-N -1 1 360.798 2.076 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])C[C@@H](C)C1=O ZINC000598113132 673538650 /nfs/dbraw/zinc/53/86/50/673538650.db2.gz MGDPYHZFMZNJEA-RKDXNWHRSA-N -1 1 373.190 2.294 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@H]2COC[C@H]2C1 ZINC000598391434 673565517 /nfs/dbraw/zinc/56/55/17/673565517.db2.gz CJNKAWAIXLAIAJ-VHSXEESVSA-N -1 1 373.190 2.105 20 0 FEADMM Cn1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1=O ZINC000542237467 673568584 /nfs/dbraw/zinc/56/85/84/673568584.db2.gz VWWABLRHNOEMFG-UHFFFAOYSA-N -1 1 363.370 2.121 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(F)c1 ZINC000598623442 673592053 /nfs/dbraw/zinc/59/20/53/673592053.db2.gz AIBVQQSKSSCKJI-SNVBAGLBSA-N -1 1 351.346 2.326 20 0 FEADMM O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738247034 673613004 /nfs/dbraw/zinc/61/30/04/673613004.db2.gz LPLFUXAVZIFQEF-JTQLQIEISA-N -1 1 367.196 2.202 20 0 FEADMM O=S(=O)([N-]CC[C@@H]1CCOC1)c1cc(Br)c(F)cc1F ZINC000543181208 673630950 /nfs/dbraw/zinc/63/09/50/673630950.db2.gz IDIORTVNVCUIJN-MRVPVSSYSA-N -1 1 370.215 2.432 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)c1F ZINC000599239576 673646768 /nfs/dbraw/zinc/64/67/68/673646768.db2.gz XQNSGNGUZNSJQQ-UHFFFAOYSA-N -1 1 374.365 2.341 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](CC(C)C)OC)c1F ZINC000599328558 673659816 /nfs/dbraw/zinc/65/98/16/673659816.db2.gz QNAMEFIAKMDFSE-NSHDSACASA-N -1 1 365.398 2.091 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC1(C)OCCO1 ZINC000741158055 673673428 /nfs/dbraw/zinc/67/34/28/673673428.db2.gz ASCFQLRMQYBFNF-VIFPVBQESA-N -1 1 353.362 2.171 20 0 FEADMM Cc1ccc([C@H](C)c2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)cc1 ZINC000544538017 673716828 /nfs/dbraw/zinc/71/68/28/673716828.db2.gz ZLLFEYIUBDQHKF-AWEZNQCLSA-N -1 1 367.471 2.374 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(Br)o1 ZINC000545363126 673762991 /nfs/dbraw/zinc/76/29/91/673762991.db2.gz REFMFBYUVPKIOO-SECBINFHSA-N -1 1 350.234 2.422 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)cc1 ZINC000743269067 673754399 /nfs/dbraw/zinc/75/43/99/673754399.db2.gz DLLJFEYHMWTJMQ-UHFFFAOYSA-N -1 1 360.391 2.045 20 0 FEADMM CN(CC1(C)COC1)C(=O)c1cc(I)ccc1[O-] ZINC000600305993 673757005 /nfs/dbraw/zinc/75/70/05/673757005.db2.gz JDHXIBXCQZCRHM-UHFFFAOYSA-N -1 1 361.179 2.105 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cn1C ZINC000545446355 673770205 /nfs/dbraw/zinc/77/02/05/673770205.db2.gz CWNMUPNUTVPGRN-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM O=C(NCc1nn[n-]n1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000600500278 673774499 /nfs/dbraw/zinc/77/44/99/673774499.db2.gz BEQAHXFRRANFAN-HNNXBMFYSA-N -1 1 361.764 2.429 20 0 FEADMM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc(=O)n2[n-]cnc2n1 ZINC000546081754 673790902 /nfs/dbraw/zinc/79/09/02/673790902.db2.gz UXWGIFAWVVIMQF-SNVBAGLBSA-N -1 1 361.814 2.038 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCN1CC=C(C)CC1 ZINC000546587512 673804552 /nfs/dbraw/zinc/80/45/52/673804552.db2.gz YLSJGPXZXFUZOH-UHFFFAOYSA-N -1 1 365.499 2.220 20 0 FEADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1c(F)cccc1Cl ZINC000546625888 673807540 /nfs/dbraw/zinc/80/75/40/673807540.db2.gz VMPRCWOZODWCGA-UHFFFAOYSA-N -1 1 359.688 2.359 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)o1 ZINC000546779787 673817864 /nfs/dbraw/zinc/81/78/64/673817864.db2.gz KPETWJKOHSQGCZ-AXTRIDKLSA-N -1 1 362.245 2.278 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(CSCc3ccco3)no2)co1 ZINC000546938819 673828471 /nfs/dbraw/zinc/82/84/71/673828471.db2.gz GWHHYYCPCPLODV-UHFFFAOYSA-N -1 1 355.397 2.264 20 0 FEADMM CC(C)c1nn(C)c(Cl)c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000745190219 673828616 /nfs/dbraw/zinc/82/86/16/673828616.db2.gz RYZBCFJNRWQBNI-UHFFFAOYSA-N -1 1 363.801 2.310 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CN1c1ccc(F)cc1 ZINC000547241062 673837458 /nfs/dbraw/zinc/83/74/58/673837458.db2.gz CEHMFWXTDLYVCW-HNNXBMFYSA-N -1 1 368.817 2.314 20 0 FEADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000614736829 676188996 /nfs/dbraw/zinc/18/89/96/676188996.db2.gz HTUPEMBYDWLRCU-UHFFFAOYSA-N -1 1 367.448 2.402 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601314755 673841539 /nfs/dbraw/zinc/84/15/39/673841539.db2.gz PIUJJHPRAHLGPU-UONOGXRCSA-N -1 1 361.410 2.126 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)c1ccccc1F ZINC000601368730 673849872 /nfs/dbraw/zinc/84/98/72/673849872.db2.gz BVRLQKIBEPXSLQ-ZWNOBZJWSA-N -1 1 365.373 2.395 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1OC)c1ccc(C)c(C)c1 ZINC000601394409 673854987 /nfs/dbraw/zinc/85/49/87/673854987.db2.gz SEKBHMURYDJQSS-OAGGEKHMSA-N -1 1 355.456 2.004 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(C)cc2C(=O)[O-])cs1 ZINC000547609751 673873461 /nfs/dbraw/zinc/87/34/61/673873461.db2.gz ZYUQQETZQFWPDR-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000746360509 673874458 /nfs/dbraw/zinc/87/44/58/673874458.db2.gz YAVWXIVGGFRGBO-UHFFFAOYSA-N -1 1 370.333 2.287 20 0 FEADMM CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2sccc2Cl)CCCOC1 ZINC000601513812 673874855 /nfs/dbraw/zinc/87/48/55/673874855.db2.gz GKUKOBKGBSRLSG-ZDUSSCGKSA-N -1 1 367.876 2.040 20 0 FEADMM C[C@@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000746601636 673885677 /nfs/dbraw/zinc/88/56/77/673885677.db2.gz PJXZRIJNJZCLAM-PRHODGIISA-N -1 1 356.213 2.210 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(CCO)s1 ZINC000614909293 676196082 /nfs/dbraw/zinc/19/60/82/676196082.db2.gz BRDLNTZAEWZMTP-UHFFFAOYSA-N -1 1 369.468 2.082 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCN(c2nccs2)CC1 ZINC000747212854 673912839 /nfs/dbraw/zinc/91/28/39/673912839.db2.gz UNFMSYIVUFDHTG-UHFFFAOYSA-N -1 1 361.471 2.423 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2csc(C3CC3)n2)cc1 ZINC000747507123 673931360 /nfs/dbraw/zinc/93/13/60/673931360.db2.gz SZCXIVCVHBNUDL-UHFFFAOYSA-N -1 1 360.391 2.143 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000548210150 673935173 /nfs/dbraw/zinc/93/51/73/673935173.db2.gz BDUATLBQWIZFKN-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000548565908 673973251 /nfs/dbraw/zinc/97/32/51/673973251.db2.gz VOLWYYRCBFKUED-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COc1cc(NC(=O)NCC(F)(F)C(F)F)ccc1[N-]S(C)(=O)=O ZINC000548953734 674008087 /nfs/dbraw/zinc/00/80/87/674008087.db2.gz HCINNYKCRRKTMP-UHFFFAOYSA-N -1 1 373.328 2.089 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000566229575 675196554 /nfs/dbraw/zinc/19/65/54/675196554.db2.gz HKRYXQXEUUGQIE-MRXNPFEDSA-N -1 1 371.455 2.176 20 0 FEADMM 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CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)c1ccsc1 ZINC000908815421 691734426 /nfs/dbraw/zinc/73/44/26/691734426.db2.gz YBVIUWYZLMNJNT-GFCCVEGCSA-N -1 1 357.501 2.000 20 0 FEADMM CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])c1ccsc1 ZINC000908815346 691734524 /nfs/dbraw/zinc/73/45/24/691734524.db2.gz XQPPYTRMYUBCTF-MHEUCROKSA-N -1 1 351.472 2.246 20 0 FEADMM CC[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1ccccc1Cl ZINC000908835825 691737779 /nfs/dbraw/zinc/73/77/79/691737779.db2.gz ZNLDJALWBVRWIU-KGLIPLIRSA-N -1 1 368.861 2.410 20 0 FEADMM C[C@@H](CN(Cc1ccccc1)C(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC000908838276 691737991 /nfs/dbraw/zinc/73/79/91/691737991.db2.gz DOPKVSDNOLCNKA-GOEBONIOSA-N -1 1 350.484 2.173 20 0 FEADMM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000909020584 691767200 /nfs/dbraw/zinc/76/72/00/691767200.db2.gz QPCNMXCCKMBNTJ-CYBMUJFWSA-N -1 1 362.817 2.217 20 0 FEADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000909123772 691781798 /nfs/dbraw/zinc/78/17/98/691781798.db2.gz ZHHDIQUFIMOCPV-GJZGRUSLSA-N -1 1 371.865 2.074 20 0 FEADMM CC[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC000909125114 691782232 /nfs/dbraw/zinc/78/22/32/691782232.db2.gz BBDTVNDVEWDDHS-CHWSQXEVSA-N -1 1 361.364 2.471 20 0 FEADMM C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000909125155 691782287 /nfs/dbraw/zinc/78/22/87/691782287.db2.gz CPIDZDMFPWFAEV-GWCFXTLKSA-N -1 1 361.364 2.423 20 0 FEADMM C[C@@](NC(=O)c1cc(Br)cc2nc[nH]c21)(C(=O)[O-])C1CC1 ZINC000909323043 691807213 /nfs/dbraw/zinc/80/72/13/691807213.db2.gz CIQLRLALTKAXHO-AWEZNQCLSA-N -1 1 352.188 2.309 20 0 FEADMM O=C([O-])[C@H](CC(F)F)NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000909773394 691854184 /nfs/dbraw/zinc/85/41/84/691854184.db2.gz IOXYANHCZIUFTR-QMMMGPOBSA-N -1 1 362.130 2.164 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000910179387 691897116 /nfs/dbraw/zinc/89/71/16/691897116.db2.gz AADNVFYIJLNDPR-UHFFFAOYSA-N -1 1 360.241 2.197 20 0 FEADMM COc1cccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000780357724 939109373 /nfs/dbraw/zinc/10/93/73/939109373.db2.gz ACZCPVMEXAJRKG-ROUUACIJSA-N -1 1 371.437 2.423 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1 ZINC000663270978 939859817 /nfs/dbraw/zinc/85/98/17/939859817.db2.gz HVNPWGCUUOMPHX-ROUUACIJSA-N -1 1 353.422 2.386 20 0 FEADMM CCC1(CC)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000549483835 674044007 /nfs/dbraw/zinc/04/40/07/674044007.db2.gz XZCXKVPYOAPHOA-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(=O)NC(N)=O)c1 ZINC000549549754 674048452 /nfs/dbraw/zinc/04/84/52/674048452.db2.gz XPEBRCNUDLQQGI-UHFFFAOYSA-N -1 1 367.814 2.258 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)n1 ZINC000011443678 539528294 /nfs/dbraw/zinc/52/82/94/539528294.db2.gz MCRWOGFCWJMMFY-UHFFFAOYSA-N -1 1 374.466 2.155 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)ccc1F ZINC000011908345 539538814 /nfs/dbraw/zinc/53/88/14/539538814.db2.gz ROBJJSBQUFNNMT-UHFFFAOYSA-N -1 1 350.371 2.290 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(C(F)(F)F)n1 ZINC000549798887 674063680 /nfs/dbraw/zinc/06/36/80/674063680.db2.gz XKDDHONCTVEUSK-MWLCHTKSSA-N -1 1 369.409 2.311 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c(C(F)(F)F)n1 ZINC000549805497 674064998 /nfs/dbraw/zinc/06/49/98/674064998.db2.gz LMMITEIAIFXTBC-SNVBAGLBSA-N -1 1 355.382 2.067 20 0 FEADMM Cc1cc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)o1 ZINC000023947348 539722568 /nfs/dbraw/zinc/72/25/68/539722568.db2.gz IZTCJYFKEJJNJO-LJQANCHMSA-N -1 1 355.394 2.485 20 0 FEADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1 ZINC000029044577 539841405 /nfs/dbraw/zinc/84/14/05/539841405.db2.gz QZTDIJNGUCAXBD-UHFFFAOYSA-N -1 1 359.411 2.252 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)o1 ZINC000031487870 539909201 /nfs/dbraw/zinc/90/92/01/539909201.db2.gz ZYBGAIQYSOTLIK-UHFFFAOYSA-N -1 1 368.430 2.468 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)o1 ZINC000031532285 539909770 /nfs/dbraw/zinc/90/97/70/539909770.db2.gz QSNPPVKSNHJFCQ-NSHDSACASA-N -1 1 370.427 2.294 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(C)C)cc2)o1 ZINC000031615665 539914007 /nfs/dbraw/zinc/91/40/07/539914007.db2.gz PLMMOIHIWRMUFS-UHFFFAOYSA-N -1 1 350.440 2.284 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000032629069 539945347 /nfs/dbraw/zinc/94/53/47/539945347.db2.gz POJFHNPUQVPSMZ-UHFFFAOYSA-N -1 1 364.423 2.011 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc32)o1 ZINC000033168161 539970622 /nfs/dbraw/zinc/97/06/22/539970622.db2.gz ZKPYYVVZGJVIPO-UHFFFAOYSA-N -1 1 364.423 2.396 20 0 FEADMM Cc1ccc(CN(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000047330382 540304511 /nfs/dbraw/zinc/30/45/11/540304511.db2.gz OIFONBOLQMJZTC-UHFFFAOYSA-N -1 1 352.394 2.243 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1 ZINC000048098119 540344628 /nfs/dbraw/zinc/34/46/28/540344628.db2.gz JMOSAEGPMBRUOD-UHFFFAOYSA-N -1 1 363.439 2.430 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cnn(C)c2)cc1 ZINC000054289387 540581750 /nfs/dbraw/zinc/58/17/50/540581750.db2.gz HXGYZUOSRWECAO-UHFFFAOYSA-N -1 1 356.455 2.356 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000055585223 540661814 /nfs/dbraw/zinc/66/18/14/540661814.db2.gz BDEHUZNGAUIKJG-UHFFFAOYSA-N -1 1 366.443 2.216 20 0 FEADMM O=C(Nc1cnccn1)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000055629483 540665501 /nfs/dbraw/zinc/66/55/01/540665501.db2.gz QJLVSYXLFVKODZ-UHFFFAOYSA-N -1 1 360.801 2.327 20 0 FEADMM O=C(NC1CC1)c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000056075674 540699956 /nfs/dbraw/zinc/69/99/56/540699956.db2.gz LYSWIXYXCMCSEV-UHFFFAOYSA-N -1 1 366.389 2.336 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)nc2)c1Cl ZINC000056096389 540702618 /nfs/dbraw/zinc/70/26/18/540702618.db2.gz CAPRZNDZJKRABN-UHFFFAOYSA-N -1 1 370.862 2.268 20 0 FEADMM [O-]c1nnn(-c2ccccc2)c1CN1CCN(CCc2cccs2)CC1 ZINC000057104507 540768314 /nfs/dbraw/zinc/76/83/14/540768314.db2.gz VYGHACDPRCRGNW-UHFFFAOYSA-N -1 1 369.494 2.395 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(=O)[nH]n3)c2)cc1 ZINC000057820015 540817261 /nfs/dbraw/zinc/81/72/61/540817261.db2.gz VXGKTUXSXYPKAY-UHFFFAOYSA-N -1 1 369.402 2.440 20 0 FEADMM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000063850012 541188172 /nfs/dbraw/zinc/18/81/72/541188172.db2.gz LXZDOXXSYDOXRN-UHFFFAOYSA-N -1 1 365.411 2.287 20 0 FEADMM CC(=O)Nc1ccc(C(=O)N=c2nc(-c3c(F)cccc3F)[nH][n-]2)nc1 ZINC000542095433 541334948 /nfs/dbraw/zinc/33/49/48/541334948.db2.gz FXEZGXPSLKDAMJ-UHFFFAOYSA-N -1 1 358.308 2.356 20 0 FEADMM CCOc1cccc2c1OC[C@@H](C(=O)NCc1n[n-]c(=S)n1CC)C2 ZINC000066636250 541351484 /nfs/dbraw/zinc/35/14/84/541351484.db2.gz XCDVJMCWNWHMIR-LBPRGKRZSA-N -1 1 362.455 2.227 20 0 FEADMM CCn1c(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n[n-]c1=S ZINC000066636162 541351909 /nfs/dbraw/zinc/35/19/09/541351909.db2.gz DKUGIEFKTWCYDE-UHFFFAOYSA-N -1 1 368.484 2.073 20 0 FEADMM Cn1c(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)n[n-]c1=S ZINC000066625621 541349878 /nfs/dbraw/zinc/34/98/78/541349878.db2.gz SYLJRWFMJSPNNP-UHFFFAOYSA-N -1 1 354.439 2.082 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cc3ccccc3c(=O)[nH]2)n[n-]c1=S ZINC000067074125 541413992 /nfs/dbraw/zinc/41/39/92/541413992.db2.gz IISCVXBTRBXYJN-UHFFFAOYSA-N -1 1 357.439 2.336 20 0 FEADMM CCn1c(CCNC(=O)c2ccc(F)c(NC(C)=O)c2)n[n-]c1=S ZINC000067076136 541414445 /nfs/dbraw/zinc/41/44/45/541414445.db2.gz KMLWZBZWHYYETC-UHFFFAOYSA-N -1 1 351.407 2.031 20 0 FEADMM CCn1c(CCNC(=O)c2cc(C)n(-c3ccccc3)n2)n[n-]c1=S ZINC000067076216 541414512 /nfs/dbraw/zinc/41/45/12/541414512.db2.gz KVWOXLYHQKCYML-UHFFFAOYSA-N -1 1 356.455 2.427 20 0 FEADMM CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079421 541414773 /nfs/dbraw/zinc/41/47/73/541414773.db2.gz VBZUWCGXUOZGTF-UHFFFAOYSA-N -1 1 369.491 2.238 20 0 FEADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CCN(c2ccccn2)CC1 ZINC000069215164 541667537 /nfs/dbraw/zinc/66/75/37/541667537.db2.gz DTFZWQMNFSMRAC-UHFFFAOYSA-N -1 1 363.421 2.471 20 0 FEADMM CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300353 541676390 /nfs/dbraw/zinc/67/63/90/541676390.db2.gz PWEPCABRAQEBRO-CYBMUJFWSA-N -1 1 370.519 2.252 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cc1Cl ZINC000070953579 541754774 /nfs/dbraw/zinc/75/47/74/541754774.db2.gz IZVLHGGYQLQDNK-UHFFFAOYSA-N -1 1 366.826 2.435 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccc2c(c1)OCCCO2 ZINC000071092079 541763564 /nfs/dbraw/zinc/76/35/64/541763564.db2.gz PKVPLBINXNAACO-UHFFFAOYSA-N -1 1 372.406 2.229 20 0 FEADMM COC(=O)[C@H](OC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000801373802 674124664 /nfs/dbraw/zinc/12/46/64/674124664.db2.gz PJBKOLCCWBXWDE-CQSZACIVSA-N -1 1 350.758 2.340 20 0 FEADMM CCCNC(=O)[C@@H](C)OC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361230 674124309 /nfs/dbraw/zinc/12/43/09/674124309.db2.gz FETXMOBKXPBPLM-SNVBAGLBSA-N -1 1 351.790 2.303 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)CCC(C)C)c1noc(C)n1 ZINC000072994293 541906238 /nfs/dbraw/zinc/90/62/38/541906238.db2.gz MECZZYFABIQGCK-HNNXBMFYSA-N -1 1 353.444 2.442 20 0 FEADMM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C2 ZINC000551172905 674128513 /nfs/dbraw/zinc/12/85/13/674128513.db2.gz PWIARGAUYJWZEM-GFCCVEGCSA-N -1 1 355.822 2.413 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1cc(F)ccc1F ZINC000074162338 542045260 /nfs/dbraw/zinc/04/52/60/542045260.db2.gz MYBPPSREBURGOH-UHFFFAOYSA-N -1 1 360.364 2.167 20 0 FEADMM Cc1cccc(O[C@@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000074161766 542045381 /nfs/dbraw/zinc/04/53/81/542045381.db2.gz LQKMCZPBKOPMSD-AWEZNQCLSA-N -1 1 354.410 2.032 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C(C)(C)c1ccccc1F ZINC000074256054 542059209 /nfs/dbraw/zinc/05/92/09/542059209.db2.gz QUCXCRUJWCZWDP-UHFFFAOYSA-N -1 1 356.401 2.373 20 0 FEADMM Cc1ccc(NC(=O)CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000074272303 542062567 /nfs/dbraw/zinc/06/25/67/542062567.db2.gz OIDJBKMVVATXIP-UHFFFAOYSA-N -1 1 350.378 2.355 20 0 FEADMM C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000827792612 675778769 /nfs/dbraw/zinc/77/87/69/675778769.db2.gz MCRQTOHTSAMSKO-IUCAKERBSA-N -1 1 366.871 2.033 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000006177077 207132152 /nfs/dbraw/zinc/13/21/52/207132152.db2.gz GIHGFTBBSJGWNV-UHFFFAOYSA-N -1 1 373.478 2.183 20 0 FEADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Cl ZINC000076936000 542331187 /nfs/dbraw/zinc/33/11/87/542331187.db2.gz HJNCIHFJKLJWAT-LBPRGKRZSA-N -1 1 360.863 2.353 20 0 FEADMM CCNC(=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000077195887 542353357 /nfs/dbraw/zinc/35/33/57/542353357.db2.gz JGKVAGNDVJQSRJ-UHFFFAOYSA-N -1 1 364.405 2.324 20 0 FEADMM CCNC(=O)c1ccc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000077195887 542353359 /nfs/dbraw/zinc/35/33/59/542353359.db2.gz JGKVAGNDVJQSRJ-UHFFFAOYSA-N -1 1 364.405 2.324 20 0 FEADMM CN(C1CCCCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000067717955 208101881 /nfs/dbraw/zinc/10/18/81/208101881.db2.gz QPEZNFDVOBZFMF-UHFFFAOYSA-N -1 1 364.464 2.150 20 0 FEADMM C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383464 542375261 /nfs/dbraw/zinc/37/52/61/542375261.db2.gz PFZMTXPXAHYSHD-MFKMUULPSA-N -1 1 364.464 2.054 20 0 FEADMM Cn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000078621836 542472347 /nfs/dbraw/zinc/47/23/47/542472347.db2.gz RELKQJOLLDTRNS-ZDUSSCGKSA-N -1 1 356.455 2.234 20 0 FEADMM CS(=O)(=O)N1CCc2cc(C(=O)Nc3c([O-])cccc3F)ccc21 ZINC000078807018 542482595 /nfs/dbraw/zinc/48/25/95/542482595.db2.gz VEHXCCVKBUIOSR-UHFFFAOYSA-N -1 1 350.371 2.106 20 0 FEADMM CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1F ZINC000079418775 542516468 /nfs/dbraw/zinc/51/64/68/542516468.db2.gz MSDXJKAAGPYMBH-UHFFFAOYSA-N -1 1 354.385 2.319 20 0 FEADMM O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000080036114 542558761 /nfs/dbraw/zinc/55/87/61/542558761.db2.gz AZYAFYJAYDGBDB-QGZVFWFLSA-N -1 1 356.397 2.495 20 0 FEADMM CC(=O)NCc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000081726318 542673795 /nfs/dbraw/zinc/67/37/95/542673795.db2.gz HPXQIBPOZRGLFK-UHFFFAOYSA-N -1 1 356.426 2.264 20 0 FEADMM CCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n(C)n1 ZINC000090818903 542788599 /nfs/dbraw/zinc/78/85/99/542788599.db2.gz SRTRKTINSLYZOD-UHFFFAOYSA-N -1 1 368.459 2.295 20 0 FEADMM C[C@H](O)CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000092224969 542850234 /nfs/dbraw/zinc/85/02/34/542850234.db2.gz MTEOXFKRSHFHCE-JTQLQIEISA-N -1 1 364.348 2.376 20 0 FEADMM CCc1c(C(=O)NCc2n[n-]c(=S)n2C2CC2)cnn1-c1ccccn1 ZINC000097550914 543013151 /nfs/dbraw/zinc/01/31/51/543013151.db2.gz KQRGONLGXBHFGJ-UHFFFAOYSA-N -1 1 369.454 2.349 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3nncn3C)c2)c1 ZINC000097375118 543011524 /nfs/dbraw/zinc/01/15/24/543011524.db2.gz UBCLQRJQAHTGOB-UHFFFAOYSA-N -1 1 351.366 2.398 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)N1CCCC[C@H]1C ZINC000102411901 543068995 /nfs/dbraw/zinc/06/89/95/543068995.db2.gz WJMKQKARSRIJKR-NXEZZACHSA-N -1 1 364.389 2.172 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)N1CCCC[C@@H]1C ZINC000102411907 543069315 /nfs/dbraw/zinc/06/93/15/543069315.db2.gz WJMKQKARSRIJKR-UWVGGRQHSA-N -1 1 364.389 2.172 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C)ccc2F)s1 ZINC000103059626 543089388 /nfs/dbraw/zinc/08/93/88/543089388.db2.gz ZPAURCJHLMAPQZ-UHFFFAOYSA-N -1 1 353.404 2.281 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCCO1)c1cc(Br)c(F)cc1F ZINC000103151506 543095026 /nfs/dbraw/zinc/09/50/26/543095026.db2.gz NUOVUQOBJLILBK-SSDOTTSWSA-N -1 1 356.188 2.185 20 0 FEADMM Cc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)[nH]1 ZINC000103252912 543098930 /nfs/dbraw/zinc/09/89/30/543098930.db2.gz ZCZSYEGZXXNLLS-UHFFFAOYSA-N -1 1 363.424 2.228 20 0 FEADMM Cc1n[nH]c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000103252912 543098933 /nfs/dbraw/zinc/09/89/33/543098933.db2.gz ZCZSYEGZXXNLLS-UHFFFAOYSA-N -1 1 363.424 2.228 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000104863624 543148042 /nfs/dbraw/zinc/14/80/42/543148042.db2.gz WUADDBDKPLWHSO-INIZCTEOSA-N -1 1 354.385 2.125 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCc2c1cccc2F ZINC000104863701 543148406 /nfs/dbraw/zinc/14/84/06/543148406.db2.gz ZPLKZMOVTGCOLK-INIZCTEOSA-N -1 1 354.385 2.125 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000105390726 543172932 /nfs/dbraw/zinc/17/29/32/543172932.db2.gz ZHXHBFKFUXTCAN-UHFFFAOYSA-N -1 1 354.453 2.291 20 0 FEADMM CC(C)c1nc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)no1 ZINC000108592766 543296343 /nfs/dbraw/zinc/29/63/43/543296343.db2.gz ZPRSWKVNHVKNPC-UHFFFAOYSA-N -1 1 353.448 2.408 20 0 FEADMM O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cncc([O-])c1 ZINC000109957794 543345115 /nfs/dbraw/zinc/34/51/15/543345115.db2.gz TZNOGGIIPGJGBC-LLVKDONJSA-N -1 1 357.193 2.264 20 0 FEADMM O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnn[n-]1 ZINC000113417704 543487227 /nfs/dbraw/zinc/48/72/27/543487227.db2.gz OFHNJDWGUTXLIT-CQSZACIVSA-N -1 1 370.800 2.353 20 0 FEADMM O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nn[n-]n1 ZINC000113417704 543487228 /nfs/dbraw/zinc/48/72/28/543487228.db2.gz OFHNJDWGUTXLIT-CQSZACIVSA-N -1 1 370.800 2.353 20 0 FEADMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1=O ZINC000114743100 543535034 /nfs/dbraw/zinc/53/50/34/543535034.db2.gz CEPXZLHOFPXCBS-LLVKDONJSA-N -1 1 351.255 2.281 20 0 FEADMM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H](C)c1cccnc1 ZINC000115225694 543555637 /nfs/dbraw/zinc/55/56/37/543555637.db2.gz DBTYRDRQNYGHGV-CYBMUJFWSA-N -1 1 353.426 2.187 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC2(OC)CCC2)n[n-]1 ZINC000552008271 674181366 /nfs/dbraw/zinc/18/13/66/674181366.db2.gz QXTJZHGCUWDOGN-LBPRGKRZSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC2(OC)CCC2)[n-]1 ZINC000552008271 674181369 /nfs/dbraw/zinc/18/13/69/674181369.db2.gz QXTJZHGCUWDOGN-LBPRGKRZSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC2(OC)CCC2)n1 ZINC000552008271 674181372 /nfs/dbraw/zinc/18/13/72/674181372.db2.gz QXTJZHGCUWDOGN-LBPRGKRZSA-N -1 1 352.435 2.144 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)o1 ZINC000116361428 543607871 /nfs/dbraw/zinc/60/78/71/543607871.db2.gz WCIRZTDQPYOSLG-KWQFWETISA-N -1 1 357.334 2.179 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000118275704 543649801 /nfs/dbraw/zinc/64/98/01/543649801.db2.gz KVYUMNFFCBSDNZ-AUUYWEPGSA-N -1 1 374.485 2.139 20 0 FEADMM O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1nnn[n-]1 ZINC000118686074 543655256 /nfs/dbraw/zinc/65/52/56/543655256.db2.gz GUGILWSNCGFSKL-UHFFFAOYSA-N -1 1 365.216 2.267 20 0 FEADMM O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1nn[n-]n1 ZINC000118686074 543655261 /nfs/dbraw/zinc/65/52/61/543655261.db2.gz GUGILWSNCGFSKL-UHFFFAOYSA-N -1 1 365.216 2.267 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC)c2c(C)noc2C)o1 ZINC000119380802 543666986 /nfs/dbraw/zinc/66/69/86/543666986.db2.gz YIRULYCJUKYLQZ-NSHDSACASA-N -1 1 356.400 2.491 20 0 FEADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123043997 543739468 /nfs/dbraw/zinc/73/94/68/543739468.db2.gz RQZOTKVCECQNMZ-STQMWFEESA-N -1 1 356.451 2.429 20 0 FEADMM CC(C)COC[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1ccco1 ZINC000123862234 543787943 /nfs/dbraw/zinc/78/79/43/543787943.db2.gz RJWVNIZNIBQKNO-NSHDSACASA-N -1 1 361.851 2.359 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000123438803 543762002 /nfs/dbraw/zinc/76/20/02/543762002.db2.gz NSRLHRSABJVDSL-NWDGAFQWSA-N -1 1 350.396 2.402 20 0 FEADMM COc1ccc(-c2cncc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2)cc1 ZINC000124340793 543814806 /nfs/dbraw/zinc/81/48/06/543814806.db2.gz ZYRCOLOSNHLSJI-LBPRGKRZSA-N -1 1 352.398 2.146 20 0 FEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Br)CN1C1CC1 ZINC000123981970 543794949 /nfs/dbraw/zinc/79/49/49/543794949.db2.gz DTXKEFMZOKYTNB-IUCAKERBSA-N -1 1 365.318 2.414 20 0 FEADMM CCCCNC(=O)C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000124809614 543843716 /nfs/dbraw/zinc/84/37/16/543843716.db2.gz HEXGMHOTDVMOLD-UHFFFAOYSA-N -1 1 370.453 2.412 20 0 FEADMM CCCCNC(=O)C1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000124809614 543843718 /nfs/dbraw/zinc/84/37/18/543843718.db2.gz HEXGMHOTDVMOLD-UHFFFAOYSA-N -1 1 370.453 2.412 20 0 FEADMM O=c1cc(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)nc2cc[n-]n21 ZINC000125661162 543894563 /nfs/dbraw/zinc/89/45/63/543894563.db2.gz PINRNDZDGRIVNV-UHFFFAOYSA-N -1 1 366.347 2.144 20 0 FEADMM CCC[C@H](NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1)c1ccccc1 ZINC000127142961 543975811 /nfs/dbraw/zinc/97/58/11/543975811.db2.gz BNOURFNGCDGJGM-AWEZNQCLSA-N -1 1 362.455 2.113 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1ccccc1Cl ZINC000127179333 543976908 /nfs/dbraw/zinc/97/69/08/543976908.db2.gz GEBMEYLQQFAUFV-UHFFFAOYSA-N -1 1 354.819 2.138 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3OC)c2)[nH]n1 ZINC000126560183 543943785 /nfs/dbraw/zinc/94/37/85/543943785.db2.gz CLPHQXSNRHHUBT-UHFFFAOYSA-N -1 1 361.427 2.357 20 0 FEADMM CN(C(=O)c1ccc2ccccc2c1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000126892409 543961612 /nfs/dbraw/zinc/96/16/12/543961612.db2.gz OPXGPPYYBRSPMY-UHFFFAOYSA-N -1 1 362.451 2.041 20 0 FEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129267213 544101596 /nfs/dbraw/zinc/10/15/96/544101596.db2.gz PYWOKHPGWORIIP-ZDUSSCGKSA-N -1 1 369.404 2.161 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)N3CCC[C@H](c4nn[n-]n4)C3)cs2)o1 ZINC000129296011 544103950 /nfs/dbraw/zinc/10/39/50/544103950.db2.gz GAYQORADGBHXJG-NSHDSACASA-N -1 1 358.427 2.173 20 0 FEADMM Cn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cn1 ZINC000130095498 544138640 /nfs/dbraw/zinc/13/86/40/544138640.db2.gz YDKQDBBPKMXRJH-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM CNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1C ZINC000131425112 544189583 /nfs/dbraw/zinc/18/95/83/544189583.db2.gz SZOIGUYIBWDGEK-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000132694913 544240832 /nfs/dbraw/zinc/24/08/32/544240832.db2.gz FZAVMCZCNHVIJF-LLVKDONJSA-N -1 1 357.805 2.263 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2ccc(F)cc2)n1)c1n[n-]c(C2CC2)n1 ZINC000133094041 544256096 /nfs/dbraw/zinc/25/60/96/544256096.db2.gz POAVIZBJXLAHRU-UHFFFAOYSA-N -1 1 359.386 2.252 20 0 FEADMM O=S(=O)([N-]c1cccc2ncccc12)c1cccc(-n2cnnn2)c1 ZINC000135739610 544359946 /nfs/dbraw/zinc/35/99/46/544359946.db2.gz VYAJMIWXXZFBGW-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nn[n-]n1 ZINC000136707433 544377733 /nfs/dbraw/zinc/37/77/33/544377733.db2.gz ZTCBHLSGPUPPSK-CYBMUJFWSA-N -1 1 352.402 2.133 20 0 FEADMM C[C@]1(CNC(=O)c2cc(I)ccc2[O-])CCCO1 ZINC000153097872 544732992 /nfs/dbraw/zinc/73/29/92/544732992.db2.gz BZICNEPTBAOGHH-CYBMUJFWSA-N -1 1 361.179 2.296 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CO)cc1 ZINC000153885842 544835459 /nfs/dbraw/zinc/83/54/59/544835459.db2.gz YTWLVSBLEICCKB-MRXNPFEDSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(NCc1ccc(O)c(Br)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000153777673 544821819 /nfs/dbraw/zinc/82/18/19/544821819.db2.gz JDPMKXFUDZIMOJ-UHFFFAOYSA-N -1 1 374.194 2.321 20 0 FEADMM CS[C@H]1CCCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000154467414 544910188 /nfs/dbraw/zinc/91/01/88/544910188.db2.gz URNNPKXFHUHDFC-HNNXBMFYSA-N -1 1 372.494 2.427 20 0 FEADMM Cc1ccccc1SCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000552370223 674205661 /nfs/dbraw/zinc/20/56/61/674205661.db2.gz XKEFBXLDOZRMQR-UHFFFAOYSA-N -1 1 352.437 2.079 20 0 FEADMM CO[C@H](CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(F)(F)F ZINC000553541055 674269148 /nfs/dbraw/zinc/26/91/48/674269148.db2.gz CITLZCPAMHAIFV-MRVPVSSYSA-N -1 1 366.283 2.346 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1c(Cl)cc(F)cc1Br ZINC000179329900 327637070 /nfs/dbraw/zinc/63/70/70/327637070.db2.gz NXWNAENPUMBWOL-NXEZZACHSA-N -1 1 372.643 2.433 20 0 FEADMM O=C(NC[C@H]1COC2(CCCCCC2)O1)c1nc2ccccc2c(=O)[n-]1 ZINC000181465899 327732040 /nfs/dbraw/zinc/73/20/40/327732040.db2.gz GSDHJRNYLJHNBG-ZDUSSCGKSA-N -1 1 357.410 2.119 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)N1CCC(C)CC1 ZINC000184965131 327892304 /nfs/dbraw/zinc/89/23/04/327892304.db2.gz KXRFDSVWRPBGJA-LBPRGKRZSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1cc2c(cc1C)[C@@H](C(=O)NCc1c(C)nc3cc(=O)[n-]n3c1C)CO2 ZINC000185684618 327927598 /nfs/dbraw/zinc/92/75/98/327927598.db2.gz UJSBETRLIXPFTR-INIZCTEOSA-N -1 1 366.421 2.049 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(OCc2ccccc2)nc1)c1nn[n-]n1 ZINC000187271522 328012306 /nfs/dbraw/zinc/01/23/06/328012306.db2.gz KHQMIHHQJTWFIA-ZDUSSCGKSA-N -1 1 352.398 2.049 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCS(=O)(=O)c2ccccc2C1 ZINC000187392606 328022189 /nfs/dbraw/zinc/02/21/89/328022189.db2.gz QUGPJJVUFXEHOA-UHFFFAOYSA-N -1 1 351.811 2.475 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1ccc(C(N)=O)n1 ZINC000187449094 328026168 /nfs/dbraw/zinc/02/61/68/328026168.db2.gz TWEQKRKPJODWNW-UHFFFAOYSA-N -1 1 370.434 2.334 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C ZINC000187941960 328055467 /nfs/dbraw/zinc/05/54/67/328055467.db2.gz ZQTMSYFNGUCFSA-ONGXEEELSA-N -1 1 356.216 2.426 20 0 FEADMM CO[C@@H]1CC[C@@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000188443165 328087291 /nfs/dbraw/zinc/08/72/91/328087291.db2.gz RSJRICNJXDFKGW-NXEZZACHSA-N -1 1 361.179 2.294 20 0 FEADMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000188541668 328093884 /nfs/dbraw/zinc/09/38/84/328093884.db2.gz DTNDZEGBJYMNTC-BQBZGAKWSA-N -1 1 358.204 2.429 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000188716552 328106273 /nfs/dbraw/zinc/10/62/73/328106273.db2.gz ZISAKDCAIQKVLQ-LBPRGKRZSA-N -1 1 372.473 2.308 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1CO ZINC000189491893 328151432 /nfs/dbraw/zinc/15/14/32/328151432.db2.gz NKOYSIINGZYTSV-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM Cc1cccc2c1OCC[C@H]2NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000189573655 328155952 /nfs/dbraw/zinc/15/59/52/328155952.db2.gz FZEQCZWJMQBRKU-MRXNPFEDSA-N -1 1 366.421 2.130 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cn1 ZINC000190078737 328186412 /nfs/dbraw/zinc/18/64/12/328186412.db2.gz JNOSWSRZTRTRFE-UHFFFAOYSA-N -1 1 352.160 2.262 20 0 FEADMM CN(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(=O)OCc1ccccc1 ZINC000191782430 328281329 /nfs/dbraw/zinc/28/13/29/328281329.db2.gz RMUHHWAHRJYCJO-UHFFFAOYSA-N -1 1 357.292 2.031 20 0 FEADMM CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(N)=O ZINC000191920510 328289032 /nfs/dbraw/zinc/28/90/32/328289032.db2.gz JWSJVHDITBZZOT-UHFFFAOYSA-N -1 1 357.234 2.455 20 0 FEADMM O=C(NCc1ccncc1)c1cc(I)ccc1[O-] ZINC000192780148 328339447 /nfs/dbraw/zinc/33/94/47/328339447.db2.gz SBHASRHQLLMNBX-UHFFFAOYSA-N -1 1 354.147 2.322 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1-n1cc(Br)cn1 ZINC000193117034 328358468 /nfs/dbraw/zinc/35/84/68/328358468.db2.gz SFVCHCSMNQFHHO-JTQLQIEISA-N -1 1 374.260 2.411 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)c1 ZINC000193392017 328372543 /nfs/dbraw/zinc/37/25/43/328372543.db2.gz YPATZSKNIRJODR-AWEZNQCLSA-N -1 1 350.396 2.004 20 0 FEADMM Cc1ccc(-c2ncc(C[N@H+]3CCC[C@]4(C3)NC(=O)NC4=O)s2)cc1 ZINC000193474247 328377665 /nfs/dbraw/zinc/37/76/65/328377665.db2.gz GYIBHCFKRMYQJB-GOSISDBHSA-N -1 1 356.451 2.293 20 0 FEADMM CC1(C)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1(=O)=O ZINC000194180759 328414689 /nfs/dbraw/zinc/41/46/89/328414689.db2.gz UTGMAMJEXUYECD-UHFFFAOYSA-N -1 1 365.373 2.450 20 0 FEADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000032592253 324478310 /nfs/dbraw/zinc/47/83/10/324478310.db2.gz QXHZGQNBXXIXAD-UHFFFAOYSA-N -1 1 356.835 2.183 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc2oc1=O ZINC000195450937 328478020 /nfs/dbraw/zinc/47/80/20/328478020.db2.gz GKVBZRHZILPCQP-UHFFFAOYSA-N -1 1 360.391 2.257 20 0 FEADMM COCCN(CC(C)C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000195472721 328479238 /nfs/dbraw/zinc/47/92/38/328479238.db2.gz SWCXCKKXHOFCBS-UHFFFAOYSA-N -1 1 372.469 2.204 20 0 FEADMM CC(=O)NCC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000231328812 328487870 /nfs/dbraw/zinc/48/78/70/328487870.db2.gz MRJOWWLZFSUTAP-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000228619366 328485545 /nfs/dbraw/zinc/48/55/45/328485545.db2.gz BDNLHMQNIJMDMQ-ZETCQYMHSA-N -1 1 353.696 2.263 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000236717760 328492643 /nfs/dbraw/zinc/49/26/43/328492643.db2.gz UZWHMXQHQTTYNW-UHFFFAOYSA-N -1 1 366.483 2.413 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1 ZINC000055583769 324781649 /nfs/dbraw/zinc/78/16/49/324781649.db2.gz HACADKGCFXKEBA-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM O=C1NCc2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc21 ZINC000058497282 324838456 /nfs/dbraw/zinc/83/84/56/324838456.db2.gz NAMJMJYUQLQUEP-UHFFFAOYSA-N -1 1 367.224 2.493 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000077687696 325005491 /nfs/dbraw/zinc/00/54/91/325005491.db2.gz PTGBRVQDRANJKE-UHFFFAOYSA-N -1 1 355.213 2.349 20 0 FEADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000079004045 325071287 /nfs/dbraw/zinc/07/12/87/325071287.db2.gz HOLVWKSDOFNLHV-OAHLLOKOSA-N -1 1 369.465 2.218 20 0 FEADMM CCNC(=O)c1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000080553057 325136006 /nfs/dbraw/zinc/13/60/06/325136006.db2.gz BMUFCGMIYLIYMO-UHFFFAOYSA-N -1 1 370.453 2.056 20 0 FEADMM COc1cccc2c1OC[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C2 ZINC000081661013 325192451 /nfs/dbraw/zinc/19/24/51/325192451.db2.gz DGWHBGXJAQINEK-CYBMUJFWSA-N -1 1 371.437 2.118 20 0 FEADMM CCC[C@@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCO1 ZINC000089470959 325318545 /nfs/dbraw/zinc/31/85/45/325318545.db2.gz KPTKFUIUBGQRSX-MRXNPFEDSA-N -1 1 370.453 2.100 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000091160944 325375980 /nfs/dbraw/zinc/37/59/80/325375980.db2.gz YAHWNXQJIKCAKZ-OAHLLOKOSA-N -1 1 350.371 2.139 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1CC ZINC000091578991 325388261 /nfs/dbraw/zinc/38/82/61/325388261.db2.gz RASDTMZRFVTZGP-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1C1CCC1 ZINC000102876835 325500219 /nfs/dbraw/zinc/50/02/19/325500219.db2.gz QZOSVYJWWPUZAR-KRWDZBQOSA-N -1 1 352.438 2.474 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000243669069 328543212 /nfs/dbraw/zinc/54/32/12/328543212.db2.gz PCWNUSVLZTWTSI-UHFFFAOYSA-N -1 1 367.379 2.242 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000104838046 325547617 /nfs/dbraw/zinc/54/76/17/325547617.db2.gz AQTWGCPFZSBGPQ-UHFFFAOYSA-N -1 1 367.409 2.087 20 0 FEADMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2ccccc2cc1[O-] ZINC000112031523 325750527 /nfs/dbraw/zinc/75/05/27/325750527.db2.gz OWGWGTGFGQSRJS-CYBMUJFWSA-N -1 1 352.312 2.438 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCCN1c1ccccc1 ZINC000114500455 325901287 /nfs/dbraw/zinc/90/12/87/325901287.db2.gz DOQFENYMNHIKIZ-AWEZNQCLSA-N -1 1 366.389 2.439 20 0 FEADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000115772358 325976285 /nfs/dbraw/zinc/97/62/85/325976285.db2.gz ZGMFNGCRIXBMTQ-UHFFFAOYSA-N -1 1 371.212 2.272 20 0 FEADMM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000116355997 326009548 /nfs/dbraw/zinc/00/95/48/326009548.db2.gz DWUQGRNNXTVCMR-RYUDHWBXSA-N -1 1 360.426 2.327 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H](C)O)cc1 ZINC000118720213 326099157 /nfs/dbraw/zinc/09/91/57/326099157.db2.gz UUYBMUNMZUSCAT-AWEZNQCLSA-N -1 1 362.451 2.297 20 0 FEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2csc(-c3cccs3)n2)n1 ZINC000118748022 326100793 /nfs/dbraw/zinc/10/07/93/326100793.db2.gz CSZQDBCKOKAUNJ-UHFFFAOYSA-N -1 1 370.437 2.052 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)NC[C@@H]2CCCO2)nc1-c1ccccc1 ZINC000118942386 326111937 /nfs/dbraw/zinc/11/19/37/326111937.db2.gz KCJXLSJPIOMYHB-AWEZNQCLSA-N -1 1 359.451 2.133 20 0 FEADMM COCCCOc1cccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 ZINC000119273833 326143887 /nfs/dbraw/zinc/14/38/87/326143887.db2.gz OVDJYSYUBLBNSY-UHFFFAOYSA-N -1 1 355.398 2.478 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccc(OC(C)(C)C)nc1)c2=O ZINC000119493371 326168787 /nfs/dbraw/zinc/16/87/87/326168787.db2.gz BDYNSCKYMVNQSV-UHFFFAOYSA-N -1 1 355.398 2.176 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)[nH]n1 ZINC000119891438 326209422 /nfs/dbraw/zinc/20/94/22/326209422.db2.gz XNLDWTHOULPLBJ-ZDUSSCGKSA-N -1 1 364.409 2.340 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC2(C1)CCCCCC2 ZINC000119893024 326209575 /nfs/dbraw/zinc/20/95/75/326209575.db2.gz VFCAVDAOBFJJPR-UHFFFAOYSA-N -1 1 372.469 2.134 20 0 FEADMM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2c(=O)[n-]1 ZINC000120473339 326261480 /nfs/dbraw/zinc/26/14/80/326261480.db2.gz JXQPGUUULXBSDP-UHFFFAOYSA-N -1 1 371.780 2.278 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)cc12 ZINC000121088189 326312234 /nfs/dbraw/zinc/31/22/34/326312234.db2.gz XYEWLUGFPPJLBG-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(CO)C2)c1 ZINC000122441260 326397179 /nfs/dbraw/zinc/39/71/79/326397179.db2.gz KEDPYJAIBADOQO-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC(CO)CC1 ZINC000124696055 326458473 /nfs/dbraw/zinc/45/84/73/326458473.db2.gz CIWGZWSADUUDRG-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)co1 ZINC000124794609 326460164 /nfs/dbraw/zinc/46/01/64/326460164.db2.gz KHTQLTLOOKGTKJ-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1 ZINC000126064948 326482504 /nfs/dbraw/zinc/48/25/04/326482504.db2.gz UKFYBDVRODVLNO-UHFFFAOYSA-N -1 1 368.418 2.476 20 0 FEADMM O=S(=O)([N-]CC1(CCO)CCC1)c1sccc1Br ZINC000127315474 326504183 /nfs/dbraw/zinc/50/41/83/326504183.db2.gz NQGPZIFKUABRQC-UHFFFAOYSA-N -1 1 354.291 2.342 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCOc1ccc(Cl)cn1 ZINC000127939840 326515266 /nfs/dbraw/zinc/51/52/66/326515266.db2.gz UCAMSACVQFLGJK-UHFFFAOYSA-N -1 1 364.833 2.233 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(F)c(F)c(F)c3)cc21 ZINC000130457439 326557114 /nfs/dbraw/zinc/55/71/14/326557114.db2.gz NEPWQUQNQACMRM-UHFFFAOYSA-N -1 1 356.325 2.191 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(-n3cn[nH]c3=O)c2)cc1 ZINC000130654696 326560943 /nfs/dbraw/zinc/56/09/43/326560943.db2.gz LOBAMSHYEVMPLP-UHFFFAOYSA-N -1 1 374.422 2.149 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)COC4)cc21 ZINC000132871132 326599348 /nfs/dbraw/zinc/59/93/48/326599348.db2.gz SEMKGZDCEVWVFI-UHFFFAOYSA-N -1 1 358.419 2.427 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3Cl)CC2)o1 ZINC000135431707 326641304 /nfs/dbraw/zinc/64/13/04/326641304.db2.gz WCYSUGYKRSEPFL-UHFFFAOYSA-N -1 1 368.842 2.303 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000154389431 326758798 /nfs/dbraw/zinc/75/87/98/326758798.db2.gz VJYPFOUIGOFIPJ-UHFFFAOYSA-N -1 1 360.435 2.278 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)co1 ZINC000162613155 327029887 /nfs/dbraw/zinc/02/98/87/327029887.db2.gz QDNNRDSBKSMNKJ-SECBINFHSA-N -1 1 374.365 2.280 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000164648468 327073137 /nfs/dbraw/zinc/07/31/37/327073137.db2.gz XMDWZLLGIZOUJG-GFCCVEGCSA-N -1 1 359.253 2.449 20 0 FEADMM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000170939880 327108490 /nfs/dbraw/zinc/10/84/90/327108490.db2.gz DJMUXEMWNLJSHS-UHFFFAOYSA-N -1 1 352.378 2.031 20 0 FEADMM O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1ncccc1[O-] ZINC000171275312 327129300 /nfs/dbraw/zinc/12/93/00/327129300.db2.gz 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ZINC000173962793 327298063 /nfs/dbraw/zinc/29/80/63/327298063.db2.gz WGWYPWCVJKDYSQ-UHFFFAOYSA-N -1 1 353.363 2.194 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174024637 327302324 /nfs/dbraw/zinc/30/23/24/327302324.db2.gz AFBQHHHRPWEREL-FKIZINRSSA-N -1 1 350.422 2.402 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nnnc2CC)cc1 ZINC000174258440 327315967 /nfs/dbraw/zinc/31/59/67/327315967.db2.gz DBPQIZBADNVDLC-UHFFFAOYSA-N -1 1 373.438 2.424 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCC(=O)N(C)C)cc1 ZINC000174673469 327342783 /nfs/dbraw/zinc/34/27/83/327342783.db2.gz HBSUOTVUBNCWGW-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000174951107 327363228 /nfs/dbraw/zinc/36/32/28/327363228.db2.gz QREJKINZNDJTME-UHFFFAOYSA-N -1 1 372.494 2.379 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c1 ZINC000176687743 327470226 /nfs/dbraw/zinc/47/02/26/327470226.db2.gz BEUPIZFRGSEABK-UHFFFAOYSA-N -1 1 352.387 2.189 20 0 FEADMM Cc1ccc(-c2nc(C(=O)NCCCc3nc(=O)[n-][nH]3)cs2)c(C)c1 ZINC000176761589 327474502 /nfs/dbraw/zinc/47/45/02/327474502.db2.gz JTIZCEPKVPAPGL-UHFFFAOYSA-N -1 1 357.439 2.201 20 0 FEADMM CC(C)(CCO)CNC(=O)c1cc(I)ccc1[O-] ZINC000178676041 327599763 /nfs/dbraw/zinc/59/97/63/327599763.db2.gz BFIPEXDMXOIUAR-UHFFFAOYSA-N -1 1 363.195 2.135 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC(C(=O)[O-])CC1 ZINC000262610310 328876277 /nfs/dbraw/zinc/87/62/77/328876277.db2.gz BRUHLMMUKHJUEJ-UHFFFAOYSA-N -1 1 356.369 2.043 20 0 FEADMM C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000263217886 328925896 /nfs/dbraw/zinc/92/58/96/328925896.db2.gz OKHQIGXCZSZRCD-IUCAKERBSA-N -1 1 367.345 2.142 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cc1 ZINC000263868645 328970048 /nfs/dbraw/zinc/97/00/48/328970048.db2.gz XEYDDGZULRYTHI-UHFFFAOYSA-N -1 1 360.435 2.268 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cscn2)c1 ZINC000264007629 328984038 /nfs/dbraw/zinc/98/40/38/328984038.db2.gz DOAYOTQHSKDMDU-UHFFFAOYSA-N -1 1 355.441 2.132 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(S(C)(=O)=O)c3)ccc2O1 ZINC000264342064 329012370 /nfs/dbraw/zinc/01/23/70/329012370.db2.gz YRUGWSUFRKVQJU-NSHDSACASA-N -1 1 367.448 2.214 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1nnc2n1CCCCC2 ZINC000264572035 329036914 /nfs/dbraw/zinc/03/69/14/329036914.db2.gz SYFDDVPSWFHJAJ-GFCCVEGCSA-N -1 1 353.448 2.039 20 0 FEADMM O=C(Cc1ccc(NC(=O)c2cncc([O-])c2)cc1)N1CCSCC1 ZINC000264829706 329065342 /nfs/dbraw/zinc/06/53/42/329065342.db2.gz IXHDWOPSSVBVAN-UHFFFAOYSA-N -1 1 357.435 2.157 20 0 FEADMM COc1cccc(OC)c1OC1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000264890534 329071728 /nfs/dbraw/zinc/07/17/28/329071728.db2.gz VECCOLKQEBWJGL-UHFFFAOYSA-N -1 1 358.394 2.488 20 0 FEADMM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000264895032 329072193 /nfs/dbraw/zinc/07/21/93/329072193.db2.gz FZLHSTKRAYOWSW-UHFFFAOYSA-N -1 1 368.430 2.422 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)o1 ZINC000265231008 329105130 /nfs/dbraw/zinc/10/51/30/329105130.db2.gz BQOXRPWNSOQFRH-UHFFFAOYSA-N -1 1 366.414 2.174 20 0 FEADMM COc1ccc(NC(=O)CC[C@H]2CC[C@@H](C)O2)cc1[N-]S(C)(=O)=O ZINC000266486179 329228317 /nfs/dbraw/zinc/22/83/17/329228317.db2.gz CXMQQXIZYXLLEJ-DGCLKSJQSA-N -1 1 356.444 2.353 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000266755415 329256504 /nfs/dbraw/zinc/25/65/04/329256504.db2.gz DRRDIWVNPIPEMI-UHFFFAOYSA-N -1 1 366.395 2.097 20 0 FEADMM COCCOc1ncccc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000266982534 329279547 /nfs/dbraw/zinc/27/95/47/329279547.db2.gz QQRNOPAYBOGYEO-UHFFFAOYSA-N -1 1 374.441 2.138 20 0 FEADMM Cc1noc([C@H]2CCCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)n1 ZINC000266983576 329279796 /nfs/dbraw/zinc/27/97/96/329279796.db2.gz QXIGNZTZRRNYNG-LBPRGKRZSA-N -1 1 359.430 2.499 20 0 FEADMM CCCCN(CCOC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000267015209 329283564 /nfs/dbraw/zinc/28/35/64/329283564.db2.gz BBHYAICFMUALRW-UHFFFAOYSA-N -1 1 373.475 2.347 20 0 FEADMM COc1cccc(N2CC[C@@H](NC(=O)c3c(C)[n-]c(=O)nc3SC)C2)c1 ZINC000267071910 329289003 /nfs/dbraw/zinc/28/90/03/329289003.db2.gz ZBUQRTDHOVTALQ-GFCCVEGCSA-N -1 1 374.466 2.230 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](O)C3CC3)c2)cc1 ZINC000268389170 329414488 /nfs/dbraw/zinc/41/44/88/329414488.db2.gz KTOSCQFJJDPPGT-SFHVURJKSA-N -1 1 374.462 2.297 20 0 FEADMM CSc1cccc(N2C[C@@H](C(=O)[N-]OCc3cccnc3)CC2=O)c1 ZINC000269499899 329526164 /nfs/dbraw/zinc/52/61/64/329526164.db2.gz WSABBDMKYYWRBT-AWEZNQCLSA-N -1 1 357.435 2.404 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000269564040 329530944 /nfs/dbraw/zinc/53/09/44/329530944.db2.gz OCBKUJGFEJLCLY-TVQRCGJNSA-N -1 1 351.403 2.204 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000270041285 329570312 /nfs/dbraw/zinc/57/03/12/329570312.db2.gz SEXCVHDDJZRENV-ZBFHGGJFSA-N -1 1 365.407 2.265 20 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/nfs/dbraw/zinc/33/09/08/674330908.db2.gz LGOQYGZUAWVUBD-CYDGBPFRSA-N -1 1 363.380 2.166 20 0 FEADMM O=C(NCCc1nnc2n1CCC2)c1c([O-])cnc2ccc(Cl)cc21 ZINC000554834204 674338134 /nfs/dbraw/zinc/33/81/34/674338134.db2.gz FADDKUUKVWJSFH-UHFFFAOYSA-N -1 1 357.801 2.104 20 0 FEADMM CCC[C@@](C)(O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230900181 517603908 /nfs/dbraw/zinc/60/39/08/517603908.db2.gz OKHUHKWDHVHLTM-CYBMUJFWSA-N -1 1 363.195 2.278 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCCc2cccs2)c(C(F)(F)F)n1 ZINC000555334644 674357192 /nfs/dbraw/zinc/35/71/92/674357192.db2.gz AAZTWHAWMRYCEK-UHFFFAOYSA-N -1 1 353.391 2.412 20 0 FEADMM CN(C(=O)c1cc(I)ccc1[O-])[C@@H]1CCCOC1 ZINC000401367559 558629663 /nfs/dbraw/zinc/62/96/63/558629663.db2.gz JEASXFOHWIPJHM-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM O=C([N-][C@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)c1ccccc1 ZINC000155506386 545535085 /nfs/dbraw/zinc/53/50/85/545535085.db2.gz FALWSPDHGSLQED-NSHDSACASA-N -1 1 350.287 2.448 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155571691 545543295 /nfs/dbraw/zinc/54/32/95/545543295.db2.gz IWZDLBNQIHKRNT-SNVBAGLBSA-N -1 1 350.220 2.290 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2nc3nc(C)cc(C)n3n2)c1Br ZINC000473947672 538809568 /nfs/dbraw/zinc/80/95/68/538809568.db2.gz DEAXPQFWMVYFTJ-UHFFFAOYSA-N -1 1 364.207 2.041 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000477355726 561142891 /nfs/dbraw/zinc/14/28/91/561142891.db2.gz RMAUSMFFSKXSKQ-UHFFFAOYSA-N -1 1 369.780 2.397 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000477383915 561143544 /nfs/dbraw/zinc/14/35/44/561143544.db2.gz RMSUJSBNGITCAC-VXGBXAGGSA-N -1 1 363.414 2.041 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477407570 561144200 /nfs/dbraw/zinc/14/42/00/561144200.db2.gz SJKPIHUYIINQMY-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000477431184 561144816 /nfs/dbraw/zinc/14/48/16/561144816.db2.gz KGUKYWCUTWEJPQ-SNVBAGLBSA-N -1 1 365.773 2.194 20 0 FEADMM Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000477459653 561145493 /nfs/dbraw/zinc/14/54/93/561145493.db2.gz ZPWRTVOGQLLIGX-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM O=S(=O)([N-]c1c(F)cccc1CO)c1cnn(Cc2ccccc2)c1 ZINC000158899464 545903512 /nfs/dbraw/zinc/90/35/12/545903512.db2.gz UOIQVTZIQWWLJX-UHFFFAOYSA-N -1 1 361.398 2.364 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(C)c1 ZINC000478675692 561172413 /nfs/dbraw/zinc/17/24/13/561172413.db2.gz JHNKOBQOISAVBQ-UHFFFAOYSA-N -1 1 366.414 2.368 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)cc1C ZINC000478708361 561173412 /nfs/dbraw/zinc/17/34/12/561173412.db2.gz BGAMAHCPIZPPBV-UHFFFAOYSA-N -1 1 374.418 2.339 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](c1ccco1)c1ccccc1 ZINC000479072581 561180858 /nfs/dbraw/zinc/18/08/58/561180858.db2.gz UVUUQYCSUAUAMJ-QGZVFWFLSA-N -1 1 351.362 2.016 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C)c(OC)c2)o1 ZINC000479153109 561183039 /nfs/dbraw/zinc/18/30/39/561183039.db2.gz ACDLWHRSJDAAJD-UHFFFAOYSA-N -1 1 353.396 2.252 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)OC)CCCCCC2)o1 ZINC000479160847 561183107 /nfs/dbraw/zinc/18/31/07/561183107.db2.gz JRHFKUFYOGCLAZ-UHFFFAOYSA-N -1 1 373.427 2.001 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)o1 ZINC000479175641 561183449 /nfs/dbraw/zinc/18/34/49/561183449.db2.gz RRQDEGAAXDIAAF-JTQLQIEISA-N -1 1 367.379 2.225 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(F)cc2)o1 ZINC000479199050 561184249 /nfs/dbraw/zinc/18/42/49/561184249.db2.gz ZLTVWSNNUCOJHF-NSHDSACASA-N -1 1 371.386 2.341 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1F ZINC000479535380 561191526 /nfs/dbraw/zinc/19/15/26/561191526.db2.gz HNRNPQONPDAESX-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000479539785 561191594 /nfs/dbraw/zinc/19/15/94/561191594.db2.gz FLHGDASGSDCVKY-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000175658695 546329319 /nfs/dbraw/zinc/32/93/19/546329319.db2.gz YZEWOAVRRPXNBB-WBVHZDCISA-N -1 1 373.478 2.379 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(OCCF)c3)cc2oc1=O ZINC000178039769 546728592 /nfs/dbraw/zinc/72/85/92/546728592.db2.gz KEMRELYRCQSHJI-UHFFFAOYSA-N -1 1 366.370 2.281 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@](C)(CC)OC)c2)n1 ZINC000481156831 561226621 /nfs/dbraw/zinc/22/66/21/561226621.db2.gz NZKJFPPNYUFNFS-SFHVURJKSA-N -1 1 360.414 2.080 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4ncccc4c3)cc2oc1=O ZINC000179385940 546944336 /nfs/dbraw/zinc/94/43/36/546944336.db2.gz SODJDFQESIHHMI-UHFFFAOYSA-N -1 1 355.375 2.481 20 0 FEADMM Cc1cc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])n(C)n1 ZINC000179438277 546953726 /nfs/dbraw/zinc/95/37/26/546953726.db2.gz ZCCGIMWDVKLYHN-UHFFFAOYSA-N -1 1 355.354 2.235 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000481947082 561246065 /nfs/dbraw/zinc/24/60/65/561246065.db2.gz MCUSWSGVZVFLRZ-UHFFFAOYSA-N -1 1 356.350 2.230 20 0 FEADMM CCOc1cccnc1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000482160236 561249287 /nfs/dbraw/zinc/24/92/87/561249287.db2.gz ZTRPGSBPJRGWAY-UHFFFAOYSA-N -1 1 365.411 2.113 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000482200983 561250075 /nfs/dbraw/zinc/25/00/75/561250075.db2.gz VVXDWCRAEZTVPZ-UWVGGRQHSA-N -1 1 368.377 2.286 20 0 FEADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000180533209 547126425 /nfs/dbraw/zinc/12/64/25/547126425.db2.gz FLJITWPFVUWIOM-VIFPVBQESA-N -1 1 353.362 2.306 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)s1 ZINC000180789553 547181135 /nfs/dbraw/zinc/18/11/35/547181135.db2.gz YHMSCKNBXKAIGL-UHFFFAOYSA-N -1 1 370.847 2.190 20 0 FEADMM CC[C@@H](C)Oc1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)ccn1 ZINC000181458651 547318568 /nfs/dbraw/zinc/31/85/68/547318568.db2.gz SPKDJGWQLUMXLE-GFCCVEGCSA-N -1 1 352.394 2.425 20 0 FEADMM COc1cc(NC(=O)N2CCS[C@@H](C)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000483332542 561274380 /nfs/dbraw/zinc/27/43/80/561274380.db2.gz BTDGTZQYTVVDHA-MNOVXSKESA-N -1 1 373.500 2.424 20 0 FEADMM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnn[n-]1 ZINC000181949656 547412228 /nfs/dbraw/zinc/41/22/28/547412228.db2.gz FOPLMAHBJCAMDY-UHFFFAOYSA-N -1 1 355.198 2.255 20 0 FEADMM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nn[n-]n1 ZINC000181949656 547412232 /nfs/dbraw/zinc/41/22/32/547412232.db2.gz FOPLMAHBJCAMDY-UHFFFAOYSA-N -1 1 355.198 2.255 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1C(F)(F)F ZINC000483670715 561281659 /nfs/dbraw/zinc/28/16/59/561281659.db2.gz KKDAYXUMDPGDNF-JTQLQIEISA-N -1 1 367.327 2.413 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(C)CCCc3ccccc32)co1 ZINC000182032993 547425377 /nfs/dbraw/zinc/42/53/77/547425377.db2.gz ZGFOQKVQCWMVAU-GOSISDBHSA-N -1 1 362.451 2.212 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000484284794 561295461 /nfs/dbraw/zinc/29/54/61/561295461.db2.gz YDUCTZCJDDXANS-LBPRGKRZSA-N -1 1 367.327 2.327 20 0 FEADMM C[C@H](CN(C)C(=O)CCCc1ncc(-c2ccccc2)o1)c1nn[n-]n1 ZINC000183411781 547654570 /nfs/dbraw/zinc/65/45/70/547654570.db2.gz SIMMWBBVMLBORF-CYBMUJFWSA-N -1 1 354.414 2.440 20 0 FEADMM Cn1[n-]c(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)nc1=O ZINC000484531578 561299181 /nfs/dbraw/zinc/29/91/81/561299181.db2.gz HBPYJAJWIMDNGG-INIZCTEOSA-N -1 1 366.400 2.128 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000484571802 561300311 /nfs/dbraw/zinc/30/03/11/561300311.db2.gz MKYUJSJTZYQGHS-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1Cn1cncn1 ZINC000484594163 561300868 /nfs/dbraw/zinc/30/08/68/561300868.db2.gz WGJAQHSDWMDAHS-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(O)cc(F)c3)cc3c2N1CCC3 ZINC000184898634 547896010 /nfs/dbraw/zinc/89/60/10/547896010.db2.gz SFGHKCZIRXJYBY-UHFFFAOYSA-N -1 1 362.382 2.167 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000184916064 547898627 /nfs/dbraw/zinc/89/86/27/547898627.db2.gz PDGPRGPCWUTEGD-WCQYABFASA-N -1 1 372.462 2.231 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC000184966941 547909242 /nfs/dbraw/zinc/90/92/42/547909242.db2.gz RVLOQLFDFQCJOZ-CQSZACIVSA-N -1 1 368.499 2.400 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000184994070 547914526 /nfs/dbraw/zinc/91/45/26/547914526.db2.gz XRCFKIFSOYWYAP-SECBINFHSA-N -1 1 360.863 2.108 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000184995334 547914630 /nfs/dbraw/zinc/91/46/30/547914630.db2.gz DLEBHKBSMCLIDI-VIFPVBQESA-N -1 1 360.863 2.108 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)co1 ZINC000185206013 547952039 /nfs/dbraw/zinc/95/20/39/547952039.db2.gz UWUWBUJNLRBOMF-AWEZNQCLSA-N -1 1 362.451 2.434 20 0 FEADMM O=S(=O)([N-]c1ccncc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000185267144 547962385 /nfs/dbraw/zinc/96/23/85/547962385.db2.gz HWYGFZOQHIFCRU-LBPRGKRZSA-N -1 1 352.387 2.437 20 0 FEADMM CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000185444423 547985925 /nfs/dbraw/zinc/98/59/25/547985925.db2.gz PWBVCLJIRMTCLJ-LBPRGKRZSA-N -1 1 364.870 2.114 20 0 FEADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ncc(C)cc1[O-] ZINC000485674387 561325427 /nfs/dbraw/zinc/32/54/27/561325427.db2.gz VFVFFRZZKTWZAR-UHFFFAOYSA-N -1 1 370.409 2.155 20 0 FEADMM Cc1nc(-c2ccc(NCCCCCS(C)(=O)=O)nc2)[n-]c(=O)c1C ZINC000186406741 548131321 /nfs/dbraw/zinc/13/13/21/548131321.db2.gz UUMISWWPKKHGQK-UHFFFAOYSA-N -1 1 364.471 2.076 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cccc(C)c23)o1 ZINC000485885235 561331190 /nfs/dbraw/zinc/33/11/90/561331190.db2.gz ZPFIRBOSZJLBJT-UHFFFAOYSA-N -1 1 362.407 2.377 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cc1 ZINC000485888347 561331318 /nfs/dbraw/zinc/33/13/18/561331318.db2.gz JGQKIYVYSIYOFE-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cccc3nn[nH]c32)n1 ZINC000188251492 548275043 /nfs/dbraw/zinc/27/50/43/548275043.db2.gz QXUIBGIDOFAPFD-NSHDSACASA-N -1 1 358.402 2.347 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c1 ZINC000486535333 561350028 /nfs/dbraw/zinc/35/00/28/561350028.db2.gz GMRUAXYXDDAKRC-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM Cc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1OC(F)F ZINC000486740366 561355556 /nfs/dbraw/zinc/35/55/56/561355556.db2.gz IIXIWKVHUKTZBT-UHFFFAOYSA-N -1 1 351.309 2.066 20 0 FEADMM CC(C)OCCS(=O)(=O)c1nnc(-c2ccccc2Br)[n-]1 ZINC000195110454 548578165 /nfs/dbraw/zinc/57/81/65/548578165.db2.gz JSVWMHWHLTZWOG-UHFFFAOYSA-N -1 1 374.260 2.433 20 0 FEADMM CC(C)OCCS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000195110454 548578170 /nfs/dbraw/zinc/57/81/70/548578170.db2.gz JSVWMHWHLTZWOG-UHFFFAOYSA-N -1 1 374.260 2.433 20 0 FEADMM O=S(=O)(Cc1nc(C2CC2)no1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195113924 548579461 /nfs/dbraw/zinc/57/94/61/548579461.db2.gz ZGQNFVLRTIATJY-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM O=S(=O)(Cc1nc(C2CC2)no1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113924 548579465 /nfs/dbraw/zinc/57/94/65/548579465.db2.gz ZGQNFVLRTIATJY-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM O=S(=O)(Cc1noc(C2CC2)n1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195116342 548579596 /nfs/dbraw/zinc/57/95/96/548579596.db2.gz VQZMFXBNOLUTCH-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM O=S(=O)(Cc1noc(C2CC2)n1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195116342 548579597 /nfs/dbraw/zinc/57/95/97/548579597.db2.gz VQZMFXBNOLUTCH-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM CC(C)(C)c1noc(CS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)n1 ZINC000195130889 548581978 /nfs/dbraw/zinc/58/19/78/548581978.db2.gz GVIVWYUHJBKEHR-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1noc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)n1 ZINC000195130889 548581981 /nfs/dbraw/zinc/58/19/81/548581981.db2.gz GVIVWYUHJBKEHR-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CCc1ccc(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cc1 ZINC000195166419 548588143 /nfs/dbraw/zinc/58/81/43/548588143.db2.gz BKXQCYMSKSHZGC-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCc1ccc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1 ZINC000195166419 548588148 /nfs/dbraw/zinc/58/81/48/548588148.db2.gz BKXQCYMSKSHZGC-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM CCc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1 ZINC000195166419 548588154 /nfs/dbraw/zinc/58/81/54/548588154.db2.gz BKXQCYMSKSHZGC-UHFFFAOYSA-N -1 1 350.444 2.077 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2coc(C3CCCCC3)n2)c1 ZINC000486957968 561360278 /nfs/dbraw/zinc/36/02/78/561360278.db2.gz NROIVFOOWWDAQL-UHFFFAOYSA-N -1 1 365.411 2.328 20 0 FEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000195451569 548642093 /nfs/dbraw/zinc/64/20/93/548642093.db2.gz UYJLEKKUZLHLOJ-UHFFFAOYSA-N -1 1 362.379 2.072 20 0 FEADMM O=S(=O)([N-][C@@H]1CCSC1)c1cc(Br)cnc1Cl ZINC000230627069 548760866 /nfs/dbraw/zinc/76/08/66/548760866.db2.gz BLFUVMIGSSCNQH-SSDOTTSWSA-N -1 1 357.682 2.281 20 0 FEADMM CN(CCNC(=O)c1ccc(Br)c([O-])c1)CC(F)(F)F ZINC000487650036 561373316 /nfs/dbraw/zinc/37/33/16/561373316.db2.gz SPCLGWGUCRHUTB-UHFFFAOYSA-N -1 1 355.154 2.379 20 0 FEADMM O=C([O-])COc1cccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000238020317 548872977 /nfs/dbraw/zinc/87/29/77/548872977.db2.gz BOULSDQWGIFCIL-LJQANCHMSA-N -1 1 368.433 2.431 20 0 FEADMM C[C@@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000487837755 561377080 /nfs/dbraw/zinc/37/70/80/561377080.db2.gz OFCSMUPGPJZLID-LBPRGKRZSA-N -1 1 365.455 2.112 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000246557941 549161825 /nfs/dbraw/zinc/16/18/25/549161825.db2.gz HBRSWMQAQWDYQO-BJFPOWJFSA-N -1 1 351.440 2.323 20 0 FEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000489602013 561415276 /nfs/dbraw/zinc/41/52/76/561415276.db2.gz DIEFUDGHZCGWSC-GXTWGEPZSA-N -1 1 357.385 2.061 20 0 FEADMM CC(=O)NCC[C@@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000489915492 561422451 /nfs/dbraw/zinc/42/24/51/561422451.db2.gz FZFRSMBTEJFUIB-AWEZNQCLSA-N -1 1 362.474 2.167 20 0 FEADMM O=C([O-])CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292406 549807435 /nfs/dbraw/zinc/80/74/35/549807435.db2.gz HRTXGNCOYDDGCR-CHWSQXEVSA-N -1 1 362.323 2.137 20 0 FEADMM O=S(=O)(NC[C@@H]1NCCc2ccccc21)c1cnccc1C(F)(F)F ZINC000262392273 549816726 /nfs/dbraw/zinc/81/67/26/549816726.db2.gz YXOKPOPLFYYSSU-AWEZNQCLSA-N -1 1 371.384 2.266 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1cccc(F)c1 ZINC000262994554 549869251 /nfs/dbraw/zinc/86/92/51/549869251.db2.gz MFENAQIRMQGLIR-URLQWDBASA-N -1 1 363.433 2.325 20 0 FEADMM O=C([O-])CC[C@@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000263180576 549883785 /nfs/dbraw/zinc/88/37/85/549883785.db2.gz UEQNAEQMGYVXFD-AWEZNQCLSA-N -1 1 368.861 2.412 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)n(-c2ccc(C)cc2)n1 ZINC000263350953 549897048 /nfs/dbraw/zinc/89/70/48/549897048.db2.gz PSHWCRWEHZZDKF-GOEBONIOSA-N -1 1 370.453 2.470 20 0 FEADMM CC(=O)NCC[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@@H](C)C(=O)[O-] ZINC000263365130 549897534 /nfs/dbraw/zinc/89/75/34/549897534.db2.gz SXOMRUJKBJVNKZ-HNNXBMFYSA-N -1 1 371.437 2.072 20 0 FEADMM CC(=O)NCCN(Cc1cncc(OCc2ccccc2)c1)[C@@H](C)C(=O)[O-] ZINC000263365130 549897535 /nfs/dbraw/zinc/89/75/35/549897535.db2.gz SXOMRUJKBJVNKZ-HNNXBMFYSA-N -1 1 371.437 2.072 20 0 FEADMM CCc1nc([C@H](C)NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263513222 549906188 /nfs/dbraw/zinc/90/61/88/549906188.db2.gz ZNAWNICCLHVHDC-GXTWGEPZSA-N -1 1 359.430 2.203 20 0 FEADMM O=C([O-])c1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000263563879 549908990 /nfs/dbraw/zinc/90/89/90/549908990.db2.gz DPTMHNHGGOXQGF-UHFFFAOYSA-N -1 1 350.422 2.350 20 0 FEADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000264006979 549967462 /nfs/dbraw/zinc/96/74/62/549967462.db2.gz TYFSINMJPATSAP-UHFFFAOYSA-N -1 1 369.464 2.427 20 0 FEADMM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000268796599 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COC(=O)c1cccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290472178 552484458 /nfs/dbraw/zinc/48/44/58/552484458.db2.gz WCHKQGHXDUXFHH-NSHDSACASA-N -1 1 372.343 2.004 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)c1 ZINC000290475041 552484938 /nfs/dbraw/zinc/48/49/38/552484938.db2.gz QVEGCJJTSQEXJY-GPCCPHFNSA-N -1 1 356.216 2.453 20 0 FEADMM Cc1cc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc(N2CCCC2)n1 ZINC000290574903 552500711 /nfs/dbraw/zinc/50/07/11/552500711.db2.gz OVCMBBHFTRODNZ-UHFFFAOYSA-N -1 1 372.391 2.064 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1cccc(N2CCCC2)c1 ZINC000290779747 552536971 /nfs/dbraw/zinc/53/69/71/552536971.db2.gz PIVKLCNZDYAVAP-LLVKDONJSA-N -1 1 350.444 2.205 20 0 FEADMM CCc1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1O ZINC000291740547 552656892 /nfs/dbraw/zinc/65/68/92/552656892.db2.gz SELSBYLZPMGVCW-UHFFFAOYSA-N -1 1 358.360 2.485 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000291901722 552673229 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CC(C)(CO)O[N-]C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000297309611 553276518 /nfs/dbraw/zinc/27/65/18/553276518.db2.gz VKZABSJYNLYUBQ-INIZCTEOSA-N -1 1 360.376 2.260 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000297384922 553285818 /nfs/dbraw/zinc/28/58/18/553285818.db2.gz LHHSMAFQSAROAK-MWLCHTKSSA-N -1 1 373.379 2.361 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000298283595 553407894 /nfs/dbraw/zinc/40/78/94/553407894.db2.gz OSSOGBQNKVVASX-SECBINFHSA-N -1 1 357.457 2.304 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nnc(NC)s1)c1nc(C)cs1 ZINC000298286110 553408254 /nfs/dbraw/zinc/40/82/54/553408254.db2.gz CNXBYJIKBLHXCP-VIFPVBQESA-N -1 1 372.497 2.353 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC[C@H]3COc3ccccc3)ccnc1-2 ZINC000298539771 553437494 /nfs/dbraw/zinc/43/74/94/553437494.db2.gz WFDSHIRBJIEYCP-AEWZPABSSA-N -1 1 351.410 2.417 20 0 FEADMM CCCc1noc2nc(CC)cc(C(=O)NC3(c4nn[n-]n4)CCCC3)c12 ZINC000503589228 561644961 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Cc1nc(-c2ccc(NCCNC(=O)c3cccnc3)nc2)[n-]c(=O)c1C ZINC000301375869 553646895 /nfs/dbraw/zinc/64/68/95/553646895.db2.gz RISPWBWJHNKRRY-UHFFFAOYSA-N -1 1 364.409 2.098 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(n4cncn4)CC3)nc2)[n-]c(=O)c1C ZINC000301391128 553647912 /nfs/dbraw/zinc/64/79/12/553647912.db2.gz AUNMXYSBBSIWEU-UHFFFAOYSA-N -1 1 351.414 2.294 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(F)c1 ZINC000325846671 553778234 /nfs/dbraw/zinc/77/82/34/553778234.db2.gz UCFMPNJDWIJKHC-UHFFFAOYSA-N -1 1 353.327 2.096 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3c(c2)CC(=O)N3)c1 ZINC000505948326 561685740 /nfs/dbraw/zinc/68/57/40/561685740.db2.gz VKDKSPLWLMSGLB-UHFFFAOYSA-N -1 1 359.407 2.113 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(Cc4cscn4)CC3)c[n-]c2[nH+]1 ZINC000329014674 553864646 /nfs/dbraw/zinc/86/46/46/553864646.db2.gz PUPOZCDJEKEHBZ-UHFFFAOYSA-N -1 1 369.450 2.058 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(Cc4cscn4)CC3)c[n-]c2n1 ZINC000329014674 553864648 /nfs/dbraw/zinc/86/46/48/553864648.db2.gz PUPOZCDJEKEHBZ-UHFFFAOYSA-N -1 1 369.450 2.058 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000506726535 561707054 /nfs/dbraw/zinc/70/70/54/561707054.db2.gz NHMXNNURDZWBPZ-HNNXBMFYSA-N -1 1 364.423 2.449 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000507907716 561745345 /nfs/dbraw/zinc/74/53/45/561745345.db2.gz WDGXHPCOHUDCOH-UHFFFAOYSA-N -1 1 365.407 2.270 20 0 FEADMM COc1cc(NC(=O)[C@@H](C)C2CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000330450093 554123260 /nfs/dbraw/zinc/12/32/60/554123260.db2.gz JIMUOVUGEGFTOY-NSHDSACASA-N -1 1 356.444 2.068 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(O)cc(F)c1)c1ccccc1 ZINC000507937028 561746546 /nfs/dbraw/zinc/74/65/46/561746546.db2.gz NWZKRMHJXFTSTD-OAHLLOKOSA-N -1 1 353.371 2.230 20 0 FEADMM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cnn(-c2ncccn2)c1 ZINC000507953092 561747059 /nfs/dbraw/zinc/74/70/59/561747059.db2.gz UEWLTJJOLBNXSZ-UHFFFAOYSA-N -1 1 363.830 2.300 20 0 FEADMM O=S(=O)([N-]CCN1CCOCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000330486397 554127986 /nfs/dbraw/zinc/12/79/86/554127986.db2.gz DUXVYSFFTYTXBB-UHFFFAOYSA-N -1 1 373.689 2.257 20 0 FEADMM O=C1[C@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)CCN1C1CCOCC1 ZINC000331036299 554204757 /nfs/dbraw/zinc/20/47/57/554204757.db2.gz BDVWCQVAEYIIMN-SECBINFHSA-N -1 1 363.361 2.073 20 0 FEADMM CC(=O)N[C@@H](C)C1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000331088925 554211296 /nfs/dbraw/zinc/21/12/96/554211296.db2.gz UFKOYLJROJPWGJ-NSHDSACASA-N -1 1 362.474 2.165 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)c(=O)[n-]1 ZINC000331198518 554229515 /nfs/dbraw/zinc/22/95/15/554229515.db2.gz XSLZBADHGMDPHO-JOYOIKCWSA-N -1 1 352.460 2.307 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc(Cl)c1[O-] ZINC000331473551 554270745 /nfs/dbraw/zinc/27/07/45/554270745.db2.gz CUCQQKRFBGSWHV-JTQLQIEISA-N -1 1 362.817 2.446 20 0 FEADMM CCC[C@H](NC(=O)CCC(=O)c1ccc(OC)cc1Cl)c1nn[n-]n1 ZINC000509025095 561781894 /nfs/dbraw/zinc/78/18/94/561781894.db2.gz UAIZIIOJQPDGCN-ZDUSSCGKSA-N -1 1 365.821 2.482 20 0 FEADMM CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)s1 ZINC000331765118 554322795 /nfs/dbraw/zinc/32/27/95/554322795.db2.gz CASCUPAINGQGEY-UWVGGRQHSA-N -1 1 352.416 2.267 20 0 FEADMM CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000331815778 554324247 /nfs/dbraw/zinc/32/42/47/554324247.db2.gz OWVSLFCCELLTDT-LLVKDONJSA-N -1 1 350.806 2.473 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)[C@@H](O)C3)cc2)cc1 ZINC000509310070 561794500 /nfs/dbraw/zinc/79/45/00/561794500.db2.gz JVGJORHVWZALKM-KDOFPFPSSA-N -1 1 374.462 2.249 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](O)[C@@H](C)C2)cc1 ZINC000509340295 561795774 /nfs/dbraw/zinc/79/57/74/561795774.db2.gz BMRXUPJPMRCCCL-KSSFIOAISA-N -1 1 374.462 2.249 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc(Cl)c1[O-] ZINC000331972180 554355360 /nfs/dbraw/zinc/35/53/60/554355360.db2.gz WSOGPDMOEMGVAE-IACUBPJLSA-N -1 1 355.818 2.056 20 0 FEADMM O=S(=O)([N-]CC1(O)CCC1)c1cc(Br)sc1Cl ZINC000332038278 554367942 /nfs/dbraw/zinc/36/79/42/554367942.db2.gz WXFHCEGQEBEOGB-UHFFFAOYSA-N -1 1 360.682 2.357 20 0 FEADMM CC(C)(CNC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Cl)c1 ZINC000509979847 561820592 /nfs/dbraw/zinc/82/05/92/561820592.db2.gz SVZRONQRMKQIBQ-UHFFFAOYSA-N -1 1 361.829 2.264 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCc2nc(-c3ccsc3)no2)[n-]1 ZINC000510019476 561822226 /nfs/dbraw/zinc/82/22/26/561822226.db2.gz GMICEFCQJJKKCO-UHFFFAOYSA-N -1 1 361.383 2.269 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCc2nc(-c3ccsc3)no2)n1 ZINC000510019476 561822228 /nfs/dbraw/zinc/82/22/28/561822228.db2.gz GMICEFCQJJKKCO-UHFFFAOYSA-N -1 1 361.383 2.269 20 0 FEADMM CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000510579801 561839411 /nfs/dbraw/zinc/83/94/11/561839411.db2.gz PNQVWDAMMNZDLJ-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC3(C2)CCOCC3)c(=O)[n-]1 ZINC000333035907 554562375 /nfs/dbraw/zinc/56/23/75/554562375.db2.gz INGBIGMEXUSXHB-UHFFFAOYSA-N -1 1 351.472 2.174 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1Br ZINC000333155842 554581108 /nfs/dbraw/zinc/58/11/08/554581108.db2.gz LCCVZEPKLIQNCX-ZETCQYMHSA-N -1 1 374.264 2.375 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccncc3Br)cn21 ZINC000333196042 554587517 /nfs/dbraw/zinc/58/75/17/554587517.db2.gz UDJCVSBQAHNLNQ-SECBINFHSA-N -1 1 371.260 2.161 20 0 FEADMM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1csc(=NC2CC2)[n-]1 ZINC000333196573 554587549 /nfs/dbraw/zinc/58/75/49/554587549.db2.gz XLHVFACHPRCQDS-LBPRGKRZSA-N -1 1 353.513 2.892 20 0 FEADMM O=C(c1cc(F)cc2nn[nH]c21)N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000333751703 554639290 /nfs/dbraw/zinc/63/92/90/554639290.db2.gz NUXBGFIWFGRMHG-HNNXBMFYSA-N -1 1 359.405 2.008 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cccc4[nH]c(C)nc43)no2)o1 ZINC000349696580 554738213 /nfs/dbraw/zinc/73/82/13/554738213.db2.gz WQPFYYUDMXXZPA-UHFFFAOYSA-N -1 1 359.367 2.089 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nc(-c3nc[nH]n3)no2)cc1)c1ccccc1 ZINC000349809030 554743573 /nfs/dbraw/zinc/74/35/73/554743573.db2.gz OFDUWQJKCNOITG-UHFFFAOYSA-N -1 1 368.378 2.323 20 0 FEADMM COc1cc(-c2noc(CN3CCCC3=O)n2)cc(Br)c1[O-] ZINC000350775747 554812660 /nfs/dbraw/zinc/81/26/60/554812660.db2.gz SBAAYYACLKFLFI-UHFFFAOYSA-N -1 1 368.187 2.336 20 0 FEADMM COc1cc(-c2noc([C@H]3COCCO3)n2)cc(Br)c1[O-] ZINC000350780388 554812946 /nfs/dbraw/zinc/81/29/46/554812946.db2.gz NKJYHKOYJRJYNG-SNVBAGLBSA-N -1 1 357.160 2.301 20 0 FEADMM CNC(=O)COc1cccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350822052 554816370 /nfs/dbraw/zinc/81/63/70/554816370.db2.gz CXTDCGMWUQIJLD-UHFFFAOYSA-N -1 1 357.341 2.297 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2c[nH]nc2c1 ZINC000511324659 561865264 /nfs/dbraw/zinc/86/52/64/561865264.db2.gz WQDOEPPYBRFJFB-UHFFFAOYSA-N -1 1 350.382 2.499 20 0 FEADMM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000361330699 554916674 /nfs/dbraw/zinc/91/66/74/554916674.db2.gz IEYGAFVZVBCQGC-CRAIPNDOSA-N -1 1 364.417 2.181 20 0 FEADMM Cc1coc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)n1 ZINC000361812488 554936103 /nfs/dbraw/zinc/93/61/03/554936103.db2.gz GFFZLGGKWBISTJ-UHFFFAOYSA-N -1 1 361.379 2.488 20 0 FEADMM O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362104072 554950108 /nfs/dbraw/zinc/95/01/08/554950108.db2.gz WLWDRBDGURVLDF-LBPRGKRZSA-N -1 1 369.347 2.090 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@@H](C3CC3)C2)cc1[N-]S(C)(=O)=O ZINC000362397225 554969549 /nfs/dbraw/zinc/96/95/49/554969549.db2.gz RKNOEQXBYGEKFP-GFCCVEGCSA-N -1 1 353.444 2.331 20 0 FEADMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000363324105 555078377 /nfs/dbraw/zinc/07/83/77/555078377.db2.gz JPGKQFUIVHOIQO-LBPRGKRZSA-N -1 1 361.423 2.475 20 0 FEADMM CN1C(=O)C[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@H]1c1ccccc1 ZINC000363340740 555081408 /nfs/dbraw/zinc/08/14/08/555081408.db2.gz XKRXNTBSRGIVBN-XJKSGUPXSA-N -1 1 362.393 2.025 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3OC)C2)o1 ZINC000363512763 555124396 /nfs/dbraw/zinc/12/43/96/555124396.db2.gz SWSJRWSECLGFHI-UHFFFAOYSA-N -1 1 365.407 2.299 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCc3c(cnn3-c3ccccc3)C1)c2=O ZINC000511967697 561887193 /nfs/dbraw/zinc/88/71/93/561887193.db2.gz ORBZMCDHDDUYLA-UHFFFAOYSA-N -1 1 374.404 2.058 20 0 FEADMM CN(CC(C)(C)O)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000363592580 555143447 /nfs/dbraw/zinc/14/34/47/555143447.db2.gz OZUXUTUBELDNPN-KRWDZBQOSA-N -1 1 370.449 2.379 20 0 FEADMM CCSc1cc(Cl)ccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363789742 555186557 /nfs/dbraw/zinc/18/65/57/555186557.db2.gz PJNICHLDSZWOLG-NSHDSACASA-N -1 1 353.835 2.179 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1Br ZINC000616003201 555262630 /nfs/dbraw/zinc/26/26/30/555262630.db2.gz MEHCLXFIDPOOKN-UHFFFAOYSA-N -1 1 364.203 2.476 20 0 FEADMM CC[C@@H](C(=O)N=c1[nH][n-]c(C)c1Br)N1CCO[C@H](CC)C1 ZINC000616008422 555262863 /nfs/dbraw/zinc/26/28/63/555262863.db2.gz FTKBBIZCTIOXEX-MNOVXSKESA-N -1 1 359.268 2.309 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c1Br ZINC000616012855 555263521 /nfs/dbraw/zinc/26/35/21/555263521.db2.gz OMIMYNWSPLSMBQ-UHFFFAOYSA-N -1 1 354.208 2.254 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@@H](C)CC ZINC000512350931 561901740 /nfs/dbraw/zinc/90/17/40/561901740.db2.gz AVQWSSAFIMGPPD-OVAAFMSASA-N -1 1 373.515 2.279 20 0 FEADMM C[C@@H](CC(N)=O)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798535 555339189 /nfs/dbraw/zinc/33/91/89/555339189.db2.gz BOLJAVXPIYBRCD-LURJTMIESA-N -1 1 357.233 2.351 20 0 FEADMM C[C@@H](CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1)NC(N)=O ZINC000616798537 555339222 /nfs/dbraw/zinc/33/92/22/555339222.db2.gz BPAYQLRKHIHJOA-LURJTMIESA-N -1 1 372.248 2.286 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2c(C)onc2-c2cccnc2)s1 ZINC000512766653 561914696 /nfs/dbraw/zinc/91/46/96/561914696.db2.gz ITCXLGADAKNYAT-UHFFFAOYSA-N -1 1 373.394 2.254 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000365310321 555538998 /nfs/dbraw/zinc/53/89/98/555538998.db2.gz NHQIOUJVBRXHRR-ZDUSSCGKSA-N -1 1 352.438 2.474 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC[C@H]3CC[C@@H](C)O3)CC2)n1 ZINC000365629882 555626843 /nfs/dbraw/zinc/62/68/43/555626843.db2.gz SXXCBFARZDRCQB-TZMCWYRMSA-N -1 1 364.446 2.035 20 0 FEADMM O=S(=O)(Cc1coc(-c2cccc(C(F)(F)F)c2)n1)c1ncn[n-]1 ZINC000365909481 555698279 /nfs/dbraw/zinc/69/82/79/555698279.db2.gz FKJSDCQOYMIFKP-UHFFFAOYSA-N -1 1 358.301 2.452 20 0 FEADMM O=S(=O)(Cc1coc(-c2cccc(C(F)(F)F)c2)n1)c1nc[n-]n1 ZINC000365909481 555698280 /nfs/dbraw/zinc/69/82/80/555698280.db2.gz FKJSDCQOYMIFKP-UHFFFAOYSA-N -1 1 358.301 2.452 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)CCc2ccc(OC)cc2)c1 ZINC000513794146 561950203 /nfs/dbraw/zinc/95/02/03/561950203.db2.gz KVKSXVDMSSMNQK-LBPRGKRZSA-N -1 1 367.423 2.374 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)o1 ZINC000513847756 561952334 /nfs/dbraw/zinc/95/23/34/561952334.db2.gz SAXBNWBGOLHEAX-UHFFFAOYSA-N -1 1 373.814 2.215 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)c1 ZINC000513847907 561952357 /nfs/dbraw/zinc/95/23/57/561952357.db2.gz WFVPJYRCKHQHSV-UHFFFAOYSA-N -1 1 373.814 2.215 20 0 FEADMM Cc1nc([C@@H]2CCCCN2C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)n[nH]1 ZINC000366710201 555914995 /nfs/dbraw/zinc/91/49/95/555914995.db2.gz QVKUGPISLXIKAJ-INIZCTEOSA-N -1 1 366.425 2.268 20 0 FEADMM O=C([O-])[C@@H]1CN(Cc2nc(CC(F)(F)F)no2)C[C@H]1c1ccccc1 ZINC000514672285 561973191 /nfs/dbraw/zinc/97/31/91/561973191.db2.gz KCKFUGITIKNBEB-NWDGAFQWSA-N -1 1 355.316 2.475 20 0 FEADMM ClC(Cl)(Cl)c1nsc(=NC[C@H]2CN(C3CC3)CCO2)[n-]1 ZINC000367426185 556045639 /nfs/dbraw/zinc/04/56/39/556045639.db2.gz MBNWHLSEHXMWOL-QMMMGPOBSA-N -1 1 357.694 2.062 20 0 FEADMM O=C(NC[C@@H]1[C@H]2COC[C@H]21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000367636063 556101874 /nfs/dbraw/zinc/10/18/74/556101874.db2.gz PBOBGAOFVAYUTI-NNZMDNLPSA-N -1 1 372.446 2.110 20 0 FEADMM CN(C(=O)c1c(F)ccc([O-])c1F)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000368046671 556203428 /nfs/dbraw/zinc/20/34/28/556203428.db2.gz ZMPMWENMVHPBCX-NSHDSACASA-N -1 1 353.346 2.271 20 0 FEADMM CN(C)c1noc([C@@H]2CCCN(C(=O)c3c(F)ccc([O-])c3F)C2)n1 ZINC000368135889 556227557 /nfs/dbraw/zinc/22/75/57/556227557.db2.gz SGOQALVPJDJNST-SECBINFHSA-N -1 1 352.341 2.139 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3csc(C)c3)C2)co1 ZINC000368407467 556299221 /nfs/dbraw/zinc/29/92/21/556299221.db2.gz PDQGAZAAMMYBRE-LLVKDONJSA-N -1 1 354.453 2.187 20 0 FEADMM Cc1noc(C)c1CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368500925 556327527 /nfs/dbraw/zinc/32/75/27/556327527.db2.gz FKRQUIZWAPBGLW-CQSZACIVSA-N -1 1 364.768 2.045 20 0 FEADMM COc1cccc2c1ncc(C(=O)[O-])c2N1CC[C@H](CN2CCOCC2)C1 ZINC000515485927 562012586 /nfs/dbraw/zinc/01/25/86/562012586.db2.gz DJFZCQFRNJTYGV-CQSZACIVSA-N -1 1 371.437 2.100 20 0 FEADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000515492160 562012723 /nfs/dbraw/zinc/01/27/23/562012723.db2.gz XBYHEUSKDOPDSD-RLLQIKCJSA-N -1 1 371.433 2.267 20 0 FEADMM CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368839326 556426293 /nfs/dbraw/zinc/42/62/93/556426293.db2.gz TVIQJGNEEDNTID-KRWDZBQOSA-N -1 1 356.422 2.303 20 0 FEADMM O=C(c1ccccc1Cl)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000368860023 556431574 /nfs/dbraw/zinc/43/15/74/556431574.db2.gz LBHAFYAYVRANIR-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3SC[C@@H]2C)o1 ZINC000368921698 556448864 /nfs/dbraw/zinc/44/88/64/556448864.db2.gz RPTTYEOIWXQSQC-NSHDSACASA-N -1 1 366.464 2.324 20 0 FEADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1 ZINC000515696958 562019548 /nfs/dbraw/zinc/01/95/48/562019548.db2.gz FZMVCPDIEIKZMD-UHFFFAOYSA-N -1 1 350.396 2.441 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)no1 ZINC000369673704 556664892 /nfs/dbraw/zinc/66/48/92/556664892.db2.gz HOOBYIUXNWZWLO-JTQLQIEISA-N -1 1 366.374 2.353 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000370466095 556881060 /nfs/dbraw/zinc/88/10/60/556881060.db2.gz VLVRTLCMJQMKQH-CQSZACIVSA-N -1 1 372.812 2.498 20 0 FEADMM COc1cc(NC(=O)N2C[C@H](C)OC(C)(C)C2)ccc1[N-]S(C)(=O)=O ZINC000516821572 562059342 /nfs/dbraw/zinc/05/93/42/562059342.db2.gz JOUGQVCPJSJOQK-NSHDSACASA-N -1 1 371.459 2.098 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccc(O)cc1 ZINC000370505348 556893174 /nfs/dbraw/zinc/89/31/74/556893174.db2.gz STBZTLQWEUMCKL-UHFFFAOYSA-N -1 1 364.405 2.047 20 0 FEADMM COCC1(CCNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000516924906 562065174 /nfs/dbraw/zinc/06/51/74/562065174.db2.gz XGIALVIVMITTIZ-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370855059 556992054 /nfs/dbraw/zinc/99/20/54/556992054.db2.gz HTDZSDOEDARIBT-FOGDFJRCSA-N -1 1 368.224 2.210 20 0 FEADMM CCCCCCOc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000370857477 556992278 /nfs/dbraw/zinc/99/22/78/556992278.db2.gz OFXKIBUJCLVBQJ-MRXNPFEDSA-N -1 1 359.430 2.373 20 0 FEADMM Cc1cccc(C2(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)CCCCC2)c1 ZINC000370859974 556993851 /nfs/dbraw/zinc/99/38/51/556993851.db2.gz INMWIFQHDJBMEF-INIZCTEOSA-N -1 1 355.442 2.310 20 0 FEADMM O=C(Cc1csc2ccc(Cl)cc12)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370973990 557032651 /nfs/dbraw/zinc/03/26/51/557032651.db2.gz BOLTUNWUFPWZBH-GFCCVEGCSA-N -1 1 363.830 2.210 20 0 FEADMM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(-c4nccn4C)s3)nn2)c1 ZINC000371077430 557067763 /nfs/dbraw/zinc/06/77/63/557067763.db2.gz SGSKVGYRWNVVMV-UHFFFAOYSA-N -1 1 366.410 2.080 20 0 FEADMM CC(=O)c1ccc2c(c1)CCN(C(=O)c1c[n-]c3c(cnn3C)c1=O)CC2 ZINC000371581980 557229043 /nfs/dbraw/zinc/22/90/43/557229043.db2.gz SZCVFPBWMHBWQI-UHFFFAOYSA-N -1 1 364.405 2.118 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)c(F)c2)o1 ZINC000518067997 562103701 /nfs/dbraw/zinc/10/37/01/562103701.db2.gz FRVNMGWCMZWDBE-VIFPVBQESA-N -1 1 357.359 2.253 20 0 FEADMM Cc1cc(C([O-])=C[S@@](=O)c2ccc(C(=O)N3CCCC3)cn2)c(C)n1C ZINC000518130666 562104984 /nfs/dbraw/zinc/10/49/84/562104984.db2.gz SQWZPADQDHWVIE-AREMUKBSSA-N -1 1 373.478 2.263 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1COc2cccc(F)c21 ZINC000371678935 557261211 /nfs/dbraw/zinc/26/12/11/557261211.db2.gz BSSYDWFDBCSXRJ-CQSZACIVSA-N -1 1 370.384 2.373 20 0 FEADMM CCCc1nc([C@H]([N-]S(=O)(=O)CCOC(C)C)c2ccccc2)no1 ZINC000371868080 557315076 /nfs/dbraw/zinc/31/50/76/557315076.db2.gz PCPYGNQCRXMUHA-MRXNPFEDSA-N -1 1 367.471 2.456 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@]1(C)CCCO1 ZINC000371900863 557324745 /nfs/dbraw/zinc/32/47/45/557324745.db2.gz IEDJGAJSUHHKOU-IBGZPJMESA-N -1 1 356.426 2.171 20 0 FEADMM Cc1cnc(SCC(=O)NCCCOc2ccccc2F)[n-]c1=O ZINC000518398541 562110632 /nfs/dbraw/zinc/11/06/32/562110632.db2.gz VIIXNSUWONSYSK-UHFFFAOYSA-N -1 1 351.403 2.307 20 0 FEADMM Cc1ccc(-c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)cn1 ZINC000371920896 557329547 /nfs/dbraw/zinc/32/95/47/557329547.db2.gz HCUQGRQAAIGYAF-UHFFFAOYSA-N -1 1 360.377 2.485 20 0 FEADMM O=C(c1cnc(Cc2ccccc2F)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372322324 557439217 /nfs/dbraw/zinc/43/92/17/557439217.db2.gz XCECWCFYXKVAGX-GFCCVEGCSA-N -1 1 372.429 2.406 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@]12CCCO2 ZINC000519437106 562131872 /nfs/dbraw/zinc/13/18/72/562131872.db2.gz XXCSEEDYRRSJPL-RBSFLKMASA-N -1 1 363.838 2.484 20 0 FEADMM CC(C)(C)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1Cl ZINC000519532099 562133741 /nfs/dbraw/zinc/13/37/41/562133741.db2.gz KJHFYMPIEJRXDV-UHFFFAOYSA-N -1 1 356.835 2.411 20 0 FEADMM CC(C)(C)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1Cl ZINC000519532099 562133742 /nfs/dbraw/zinc/13/37/42/562133742.db2.gz KJHFYMPIEJRXDV-UHFFFAOYSA-N -1 1 356.835 2.411 20 0 FEADMM O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000372672635 557534108 /nfs/dbraw/zinc/53/41/08/557534108.db2.gz DXISIASKHNGMPY-ZFWWWQNUSA-N -1 1 361.467 2.347 20 0 FEADMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000519893782 562147509 /nfs/dbraw/zinc/14/75/09/562147509.db2.gz BRNZWGWLDLYXOJ-GFCCVEGCSA-N -1 1 365.389 2.403 20 0 FEADMM O=C(c1c(F)ccc(Br)c1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000373262325 557661033 /nfs/dbraw/zinc/66/10/33/557661033.db2.gz VRBYWTNFGMAHPB-SSDOTTSWSA-N -1 1 372.173 2.260 20 0 FEADMM COCC1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000373563875 557718950 /nfs/dbraw/zinc/71/89/50/557718950.db2.gz VVGMBMRBBAFMDV-UHFFFAOYSA-N -1 1 361.373 2.169 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C[C@]2(CCCOC2)O1 ZINC000373607741 557728372 /nfs/dbraw/zinc/72/83/72/557728372.db2.gz FJONKMDOYRXGRS-PXAZEXFGSA-N -1 1 367.471 2.013 20 0 FEADMM CCOC(=O)C1(COC)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000373616350 557729762 /nfs/dbraw/zinc/72/97/62/557729762.db2.gz XQXOQNRFJCKQFS-UHFFFAOYSA-N -1 1 355.818 2.478 20 0 FEADMM Cc1cccc(N2CCN(C(=O)CSc3ncc(C)c(=O)[n-]3)CC2)c1 ZINC000520839964 562164871 /nfs/dbraw/zinc/16/48/71/562164871.db2.gz YWOYRCKZLWLDQM-UHFFFAOYSA-N -1 1 358.467 2.240 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](F)(c3ccc(F)cc3)C2)co1 ZINC000374211020 557843962 /nfs/dbraw/zinc/84/39/62/557843962.db2.gz MOMIPHBAMMWAJX-INIZCTEOSA-N -1 1 370.377 2.038 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3ccc(F)cc3C(=O)O2)c1 ZINC000374476034 557889059 /nfs/dbraw/zinc/88/90/59/557889059.db2.gz PAFDIYGPXFOJID-OAHLLOKOSA-N -1 1 359.309 2.038 20 0 FEADMM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000374549245 557898351 /nfs/dbraw/zinc/89/83/51/557898351.db2.gz KUCOPNJEBCVWGN-CQSZACIVSA-N -1 1 359.813 2.477 20 0 FEADMM COC[C@@H]1CCCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000375135845 557982308 /nfs/dbraw/zinc/98/23/08/557982308.db2.gz LYWLNVSTLHYYJM-CYBMUJFWSA-N -1 1 353.488 2.420 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375579401 558051890 /nfs/dbraw/zinc/05/18/90/558051890.db2.gz VIZAZCNTTULCPY-RISCZKNCSA-N -1 1 372.874 2.061 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1Cl ZINC000521604740 562179976 /nfs/dbraw/zinc/17/99/76/562179976.db2.gz BGVXMXJBGJPWIK-UHFFFAOYSA-N -1 1 366.782 2.033 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376173577 558136514 /nfs/dbraw/zinc/13/65/14/558136514.db2.gz OPTUUFZHFSSOGL-OCCSQVGLSA-N -1 1 356.216 2.175 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CC[C@@H](n4cc5ccccc5n4)C3)ccnc1-2 ZINC000376607228 558196930 /nfs/dbraw/zinc/19/69/30/558196930.db2.gz VSUYWBMRQJCHIY-PFKVCDDJSA-N -1 1 361.409 2.170 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCCN(c4ccccc4F)CC3)ccnc1-2 ZINC000376647560 558202854 /nfs/dbraw/zinc/20/28/54/558202854.db2.gz YLYQHHNKJABLPF-KQWNVCNZSA-N -1 1 368.416 2.225 20 0 FEADMM CCCn1nccc1C1CCN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000376694914 558209802 /nfs/dbraw/zinc/20/98/02/558209802.db2.gz KDXAAQBKYLIJTJ-KQWNVCNZSA-N -1 1 367.457 2.360 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000377103096 558266583 /nfs/dbraw/zinc/26/65/83/558266583.db2.gz ZHUWKELRBPDOSL-OCCSQVGLSA-N -1 1 370.380 2.180 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000377868356 558438079 /nfs/dbraw/zinc/43/80/79/558438079.db2.gz HORUHFYZLJGNGI-UHFFFAOYSA-N -1 1 355.366 2.321 20 0 FEADMM CC(=O)[C@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)C(C)C ZINC000522828342 562204357 /nfs/dbraw/zinc/20/43/57/562204357.db2.gz DHPRVIBPUURFCZ-LLVKDONJSA-N -1 1 351.350 2.023 20 0 FEADMM O=C(NCc1cc[nH]n1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000523121953 562208723 /nfs/dbraw/zinc/20/87/23/562208723.db2.gz QWEYIBABIJSOHJ-QGZVFWFLSA-N -1 1 364.405 2.190 20 0 FEADMM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000378186363 558498573 /nfs/dbraw/zinc/49/85/73/558498573.db2.gz WSYYRNRLKJIEEB-HOCLYGCPSA-N -1 1 371.437 2.485 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c1C ZINC000378281320 558518744 /nfs/dbraw/zinc/51/87/44/558518744.db2.gz RBLQJRVALGBCDV-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000378281616 558518780 /nfs/dbraw/zinc/51/87/80/558518780.db2.gz KDOUXAWRWBUURX-OAHLLOKOSA-N -1 1 370.800 2.129 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000378381639 558544590 /nfs/dbraw/zinc/54/45/90/558544590.db2.gz VXRRCDSIKRPKBD-CZUORRHYSA-N -1 1 365.407 2.122 20 0 FEADMM Cc1ncc(NC(=O)c2ccc(I)c([O-])c2)cn1 ZINC000384159270 558605174 /nfs/dbraw/zinc/60/51/74/558605174.db2.gz JHEKRMVAJXNEMD-UHFFFAOYSA-N -1 1 355.135 2.348 20 0 FEADMM Cn1cccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1=O ZINC000523693181 562217949 /nfs/dbraw/zinc/21/79/49/562217949.db2.gz IIMVVINSEXZISB-UHFFFAOYSA-N -1 1 374.194 2.242 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1nc(C2CC2)no1 ZINC000378596737 558591065 /nfs/dbraw/zinc/59/10/65/558591065.db2.gz KAIJCSUHYGYTDT-AWEZNQCLSA-N -1 1 365.459 2.155 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000384160994 558605328 /nfs/dbraw/zinc/60/53/28/558605328.db2.gz RNQQCUIEWDBHLG-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM C[C@@H](CC(C)(C)O)NC(=O)c1ccc(I)c([O-])c1 ZINC000385069854 558605793 /nfs/dbraw/zinc/60/57/93/558605793.db2.gz VPYQXQXITYHWCN-QMMMGPOBSA-N -1 1 363.195 2.276 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1(CC(C)C)CCCC1 ZINC000391728016 558614636 /nfs/dbraw/zinc/61/46/36/558614636.db2.gz KUUINXZHQARLAB-UHFFFAOYSA-N -1 1 357.476 2.471 20 0 FEADMM O=C([O-])c1ccccc1CCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000391652319 558614713 /nfs/dbraw/zinc/61/47/13/558614713.db2.gz FTWWOSJYVVGWLA-UHFFFAOYSA-N -1 1 359.325 2.323 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c(F)c1 ZINC000392051426 558615412 /nfs/dbraw/zinc/61/54/12/558615412.db2.gz RMGAUHZCTBYRHH-UHFFFAOYSA-N -1 1 352.299 2.172 20 0 FEADMM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000392113754 558616130 /nfs/dbraw/zinc/61/61/30/558616130.db2.gz BEKSKZVDACSXFX-UHFFFAOYSA-N -1 1 351.384 2.171 20 0 FEADMM Cc1ocnc1CNC(=O)c1ccc(I)c([O-])c1 ZINC000398395218 558626821 /nfs/dbraw/zinc/62/68/21/558626821.db2.gz ZADOAONHOBYMTM-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM O=C(c1csc([C@@H]2CCCO2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408000324 558636955 /nfs/dbraw/zinc/63/69/55/558636955.db2.gz ZQRDADFKLSTBQF-KOLCDFICSA-N -1 1 350.400 2.103 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@@H]2CCO[C@H]21 ZINC000408213038 558657141 /nfs/dbraw/zinc/65/71/41/558657141.db2.gz BXRQJZQNUWEXSM-WHGOUJPWSA-N -1 1 350.234 2.134 20 0 FEADMM O=C([N-]S(=O)(=O)[C@H]1CC2CCC1CC2)c1cc2[nH]cnc2cc1F ZINC000408495288 558683974 /nfs/dbraw/zinc/68/39/74/558683974.db2.gz DPTZMZDBCKTTOB-HEEBCNDISA-N -1 1 351.403 2.340 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(OC)cc3)CC2)o1 ZINC000524625843 562231242 /nfs/dbraw/zinc/23/12/42/562231242.db2.gz NEVUWOYKCCFKQM-UHFFFAOYSA-N -1 1 351.380 2.042 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C ZINC000410280359 558749867 /nfs/dbraw/zinc/74/98/67/558749867.db2.gz XCMPQKMXAXVYKZ-ZDUSSCGKSA-N -1 1 358.442 2.916 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000410300930 558750402 /nfs/dbraw/zinc/75/04/02/558750402.db2.gz JJTLAPOGVARSOU-UHFFFAOYSA-N -1 1 360.723 3.002 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(Cl)ccc1Br ZINC000410307986 558750656 /nfs/dbraw/zinc/75/06/56/558750656.db2.gz NCJKSUAVNMAKBX-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3(O)CCC3)cc2)cc1 ZINC000525329912 562246114 /nfs/dbraw/zinc/24/61/14/562246114.db2.gz VOTFDCSMBARGKR-UHFFFAOYSA-N -1 1 374.462 2.441 20 0 FEADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000525748930 562253886 /nfs/dbraw/zinc/25/38/86/562253886.db2.gz KOWPXVITTILSBD-ZETCQYMHSA-N -1 1 365.381 2.100 20 0 FEADMM CCCN1C[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC1=O ZINC000412256141 559022993 /nfs/dbraw/zinc/02/29/93/559022993.db2.gz LKYJDBJQNFGRAD-SNVBAGLBSA-N -1 1 363.805 2.028 20 0 FEADMM CCCN1C[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC1=O ZINC000412256141 559022994 /nfs/dbraw/zinc/02/29/94/559022994.db2.gz LKYJDBJQNFGRAD-SNVBAGLBSA-N -1 1 363.805 2.028 20 0 FEADMM COCCCn1cc(C)c(=NC(=O)c2cnc3c(Cl)cccc3c2[O-])[nH]1 ZINC000412371232 559031525 /nfs/dbraw/zinc/03/15/25/559031525.db2.gz KCYCEPHVGNIBEF-UHFFFAOYSA-N -1 1 374.828 2.975 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)c1cccnc1 ZINC000412884934 559061600 /nfs/dbraw/zinc/06/16/00/559061600.db2.gz LKUMQMQWFARVDV-UHFFFAOYSA-N -1 1 367.453 2.473 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CS[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000413735809 559127891 /nfs/dbraw/zinc/12/78/91/559127891.db2.gz XWGBBBITFFPDSV-ONGXEEELSA-N -1 1 359.473 2.082 20 0 FEADMM CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)cn1C ZINC000414439459 559163882 /nfs/dbraw/zinc/16/38/82/559163882.db2.gz GAHNERIYNWLTQP-UHFFFAOYSA-N -1 1 364.349 2.464 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)cn1 ZINC000414474624 559167319 /nfs/dbraw/zinc/16/73/19/559167319.db2.gz YJPZVJMABDBWNL-UHFFFAOYSA-N -1 1 361.221 2.075 20 0 FEADMM 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CSc1c(F)cccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000436155949 559936203 /nfs/dbraw/zinc/93/62/03/559936203.db2.gz OEOYDYWUWZQMBO-UHFFFAOYSA-N -1 1 356.400 2.153 20 0 FEADMM O=C1NCc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])cc21 ZINC000436475576 559942344 /nfs/dbraw/zinc/94/23/44/559942344.db2.gz GSLDNWQVGWJGPL-UHFFFAOYSA-N -1 1 372.324 2.455 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cnnn2-c2cccc(F)c2)c1 ZINC000436501597 559943246 /nfs/dbraw/zinc/94/32/46/559943246.db2.gz BAMJIKGRVICYRN-UHFFFAOYSA-N -1 1 356.313 2.151 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2Cn2cncn2)c1 ZINC000436501418 559943251 /nfs/dbraw/zinc/94/32/51/559943251.db2.gz CZWLZVIFBQSMBM-UHFFFAOYSA-N -1 1 352.350 2.071 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCCNC(=O)c2ccccc2)c1 ZINC000436501680 559943290 /nfs/dbraw/zinc/94/32/90/559943290.db2.gz FDHLJWFDBRXPBH-UHFFFAOYSA-N -1 1 356.378 2.328 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 ZINC000436510225 559943677 /nfs/dbraw/zinc/94/36/77/559943677.db2.gz 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ZINC000436670512 559948476 /nfs/dbraw/zinc/94/84/76/559948476.db2.gz FEWDBOCBEWPNTH-SNVBAGLBSA-N -1 1 374.418 2.397 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436700518 559949197 /nfs/dbraw/zinc/94/91/97/559949197.db2.gz VSJHJKMGFNYDGU-OAHLLOKOSA-N -1 1 358.781 2.150 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000436727717 559950102 /nfs/dbraw/zinc/95/01/02/559950102.db2.gz BTIMDRQYAFWAIA-UHFFFAOYSA-N -1 1 358.375 2.151 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436728700 559950137 /nfs/dbraw/zinc/95/01/37/559950137.db2.gz BQVMDJATYZSSCN-UHFFFAOYSA-N -1 1 368.842 2.226 20 0 FEADMM COc1ccc(NC(=O)c2cc(F)ccc2O)cc1[N-]S(C)(=O)=O ZINC000436756157 559951012 /nfs/dbraw/zinc/95/10/12/559951012.db2.gz PTLVXNCEWRWQBI-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000436777113 559951661 /nfs/dbraw/zinc/95/16/61/559951661.db2.gz XZQJXFOWCNHTDE-LLVKDONJSA-N -1 1 366.414 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/nfs/dbraw/zinc/00/81/82/560008182.db2.gz OXNYSZQXNMDHJD-UHFFFAOYSA-N -1 1 364.423 2.326 20 0 FEADMM CCC[C@@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1nn[n-]n1 ZINC000442677925 560054681 /nfs/dbraw/zinc/05/46/81/560054681.db2.gz CVZDJXMCPSHARM-SECBINFHSA-N -1 1 354.201 2.425 20 0 FEADMM COc1cc(C(=O)NC[C@H](O)COc2ccccc2)cc(Cl)c1[O-] ZINC000527487117 562289728 /nfs/dbraw/zinc/28/97/28/562289728.db2.gz VJNUTDNQFOLDME-LBPRGKRZSA-N -1 1 351.786 2.224 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000443134322 560072322 /nfs/dbraw/zinc/07/23/22/560072322.db2.gz AHLWPVUQCIPZHA-SECBINFHSA-N -1 1 352.359 2.012 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)o1 ZINC000443238605 560075789 /nfs/dbraw/zinc/07/57/89/560075789.db2.gz WFJIRKWQUXEJBY-CQSZACIVSA-N -1 1 367.423 2.248 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)o1 ZINC000443272771 560077154 /nfs/dbraw/zinc/07/71/54/560077154.db2.gz QDADNAZHVJLLHU-UHFFFAOYSA-N -1 1 353.396 2.073 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000443270513 560077236 /nfs/dbraw/zinc/07/72/36/560077236.db2.gz YIOMSGJVXABFDR-GFCCVEGCSA-N -1 1 370.215 2.167 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)o1 ZINC000443933572 560096653 /nfs/dbraw/zinc/09/66/53/560096653.db2.gz HHRWZMFPFNVWRJ-UHFFFAOYSA-N -1 1 364.423 2.209 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)CC2CCCCC2)(C(=O)OC)C1(C)C ZINC000444277110 560107835 /nfs/dbraw/zinc/10/78/35/560107835.db2.gz PJZMJJPMVJZQQX-YOEHRIQHSA-N -1 1 361.504 2.233 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCOC[C@@H]2C)c1 ZINC000444337555 560110198 /nfs/dbraw/zinc/11/01/98/560110198.db2.gz BZTGNOVQLILCFF-GXTWGEPZSA-N -1 1 370.471 2.034 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccnc3C3CC3)CC2)n1 ZINC000444759788 560119807 /nfs/dbraw/zinc/11/98/07/560119807.db2.gz JSXLLTVJCVPIDZ-UHFFFAOYSA-N -1 1 369.425 2.274 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000447275349 560159392 /nfs/dbraw/zinc/15/93/92/560159392.db2.gz UAECFOXOGAVQHN-UHFFFAOYSA-N -1 1 368.781 2.042 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)c2)n1 ZINC000447680279 560166651 /nfs/dbraw/zinc/16/66/51/560166651.db2.gz QOCYQZQDLCXPKZ-FICVDOATSA-N -1 1 354.410 2.311 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC[C@H]3CCOC3)c2)n1 ZINC000447677870 560166694 /nfs/dbraw/zinc/16/66/94/560166694.db2.gz HTIRUNFGVGEIQI-ZDUSSCGKSA-N -1 1 372.425 2.081 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CCSC3)c2)n1 ZINC000447681921 560166861 /nfs/dbraw/zinc/16/68/61/560166861.db2.gz TVBVWJNXKIEFGJ-CYBMUJFWSA-N -1 1 360.439 2.018 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@@H]1CCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000447933160 560173696 /nfs/dbraw/zinc/17/36/96/560173696.db2.gz SSCWEQFRQLHVSV-QWRGUYRKSA-N -1 1 373.780 2.177 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H](O)C1CCC1 ZINC000449827115 560241482 /nfs/dbraw/zinc/24/14/82/560241482.db2.gz MFDOLMHPIUBDAY-SFHVURJKSA-N -1 1 374.462 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560283571 /nfs/dbraw/zinc/28/35/71/560283571.db2.gz XQXQUMAGPBZIEN-SECBINFHSA-N -1 1 374.850 2.235 20 0 FEADMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451509511 560311116 /nfs/dbraw/zinc/31/11/16/560311116.db2.gz NTVHIQOTAWWKOD-QPUJVOFHSA-N -1 1 358.872 2.358 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H](C)F)c(F)c1 ZINC000451577171 560315742 /nfs/dbraw/zinc/31/57/42/560315742.db2.gz AFVSDRUYMGMGEE-SNVBAGLBSA-N -1 1 370.443 2.004 20 0 FEADMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000451964329 560340988 /nfs/dbraw/zinc/34/09/88/560340988.db2.gz IYACPXJPEXLJOK-NSHDSACASA-N -1 1 370.215 2.431 20 0 FEADMM CCOC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC12COC2 ZINC000452233240 560355867 /nfs/dbraw/zinc/35/58/67/560355867.db2.gz YUZVCNQCHDLTGC-INIZCTEOSA-N -1 1 355.390 2.197 20 0 FEADMM COCCCn1cc(C)c(=NC(=O)c2cnc3c(C)cccc3c2[O-])[nH]1 ZINC000452441442 560364914 /nfs/dbraw/zinc/36/49/14/560364914.db2.gz NLCGGDHVFNIKQR-UHFFFAOYSA-N -1 1 354.410 2.630 20 0 FEADMM 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O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000456788122 560532955 /nfs/dbraw/zinc/53/29/55/560532955.db2.gz QVYVRGNBYXHGKF-NEPJUHHUSA-N -1 1 366.364 2.050 20 0 FEADMM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc([O-])c(F)c2F)no1 ZINC000456792205 560533118 /nfs/dbraw/zinc/53/31/18/560533118.db2.gz HNXIZJUDHQILFD-QMMMGPOBSA-N -1 1 371.365 2.666 20 0 FEADMM CN(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000456936841 560539092 /nfs/dbraw/zinc/53/90/92/560539092.db2.gz TUZFZSPWZIZIKE-NSHDSACASA-N -1 1 370.247 2.031 20 0 FEADMM C[C@@H]1C[C@@H](O)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000456988626 560542543 /nfs/dbraw/zinc/54/25/43/560542543.db2.gz DLSODYRORCJQOJ-RHSMWYFYSA-N -1 1 374.462 2.330 20 0 FEADMM C[C@H]1C[C@@H](O)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000457016570 560543981 /nfs/dbraw/zinc/54/39/81/560543981.db2.gz VPOSMUKKOUWJNC-WMLDXEAASA-N -1 1 374.462 2.330 20 0 FEADMM CCOC[C@H]1CCCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000458060066 560601504 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FEADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2nn1C ZINC000461345128 560767288 /nfs/dbraw/zinc/76/72/88/560767288.db2.gz YYWQWQVAAUFLLL-UHFFFAOYSA-N -1 1 357.395 2.264 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3nc(C)oc3c2)c1 ZINC000461443957 560771836 /nfs/dbraw/zinc/77/18/36/560771836.db2.gz CZTKGJAVTYSUTN-UHFFFAOYSA-N -1 1 361.379 2.002 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1 ZINC000461453733 560771912 /nfs/dbraw/zinc/77/19/12/560771912.db2.gz PZJQWXGNSBPABG-ZTFRIQLXSA-N -1 1 360.435 2.289 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(Cl)c2F)c1 ZINC000461457075 560772311 /nfs/dbraw/zinc/77/23/11/560772311.db2.gz NQRYHHKJJJIDLS-UHFFFAOYSA-N -1 1 372.805 2.274 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCn2ccc3ccccc32)c1 ZINC000461460952 560772391 /nfs/dbraw/zinc/77/23/91/560772391.db2.gz QTQPVLKKEFHMMO-UHFFFAOYSA-N -1 1 373.434 2.284 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000461460778 560772434 /nfs/dbraw/zinc/77/24/34/560772434.db2.gz OWLWKZBFJHWRJZ-GFCCVEGCSA-N -1 1 364.423 2.015 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c(SC)c2)c1 ZINC000461465739 560773094 /nfs/dbraw/zinc/77/30/94/560773094.db2.gz VABUGSBQXBGYTL-UHFFFAOYSA-N -1 1 370.427 2.414 20 0 FEADMM O=C(NC[C@@H](CO)C1CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000461625007 560777559 /nfs/dbraw/zinc/77/75/59/560777559.db2.gz STCVWWVZWPMEHO-JTQLQIEISA-N -1 1 365.227 2.451 20 0 FEADMM COc1cc(F)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1OC ZINC000462018605 560792914 /nfs/dbraw/zinc/79/29/14/560792914.db2.gz XQYQPTCPVNAYEI-UHFFFAOYSA-N -1 1 374.328 2.153 20 0 FEADMM COc1cc(F)c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1OC ZINC000462018605 560792915 /nfs/dbraw/zinc/79/29/15/560792915.db2.gz XQYQPTCPVNAYEI-UHFFFAOYSA-N -1 1 374.328 2.153 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)o1 ZINC000462403834 560808943 /nfs/dbraw/zinc/80/89/43/560808943.db2.gz SMCBBYYBPKZSIQ-LBPRGKRZSA-N -1 1 356.425 2.261 20 0 FEADMM C[C@]1(Cc2ccccc2)CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000466722793 560893527 /nfs/dbraw/zinc/89/35/27/560893527.db2.gz NCPIPBJWKKEXOR-HXUWFJFHSA-N -1 1 353.422 2.141 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)[nH]n1 ZINC000467016723 560901521 /nfs/dbraw/zinc/90/15/21/560901521.db2.gz ZDGOQMOSDVPOSP-UHFFFAOYSA-N -1 1 350.400 2.091 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)ccc1C ZINC000467093283 560903464 /nfs/dbraw/zinc/90/34/64/560903464.db2.gz VOKGALKOZFGKGK-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM O=c1[n-]c(CN(Cc2cccc(Br)c2)C2CCOCC2)n[nH]1 ZINC000467291196 560907980 /nfs/dbraw/zinc/90/79/80/560907980.db2.gz LKIQOSSVHPLPOS-UHFFFAOYSA-N -1 1 367.247 2.454 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(-c3nnco3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468423576 560929562 /nfs/dbraw/zinc/92/95/62/560929562.db2.gz OSJXJKVIPTWMIC-UHFFFAOYSA-N -1 1 364.321 2.047 20 0 FEADMM COc1ccc(NC(=O)c2c(F)cccc2OC)cc1[N-]S(C)(=O)=O ZINC000468615209 560934062 /nfs/dbraw/zinc/93/40/62/560934062.db2.gz LEGYGXOGDMECTC-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 ZINC000470450342 560982328 /nfs/dbraw/zinc/98/23/28/560982328.db2.gz YDIZGSXPZAOPGU-CYBMUJFWSA-N -1 1 363.391 2.353 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)o1 ZINC000470771661 560989410 /nfs/dbraw/zinc/98/94/10/560989410.db2.gz HBGGHPPGNMVSDD-UHFFFAOYSA-N -1 1 366.420 2.197 20 0 FEADMM Cc1ccc(-n2ncc(C(=O)NC3(c4nn[n-]n4)CC3)c2C(C)C)cc1 ZINC000470967527 560995365 /nfs/dbraw/zinc/99/53/65/560995365.db2.gz JNHLNKNMEBXRNP-UHFFFAOYSA-N -1 1 351.414 2.236 20 0 FEADMM CCN(CC)c1nc2sc(C(=O)NC3(c4nn[n-]n4)CC3)cc2s1 ZINC000470984538 560996012 /nfs/dbraw/zinc/99/60/12/560996012.db2.gz IWBUIDKIBNBMHP-UHFFFAOYSA-N -1 1 363.472 2.136 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)ccc1F ZINC000471604465 561008529 /nfs/dbraw/zinc/00/85/29/561008529.db2.gz WWXIHGOOPNQNNY-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccon3)n2)cc1F ZINC000471891636 561013878 /nfs/dbraw/zinc/01/38/78/561013878.db2.gz AJYYLSJFHWHHNV-SNVBAGLBSA-N -1 1 366.374 2.353 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000473333610 561047863 /nfs/dbraw/zinc/04/78/63/561047863.db2.gz MCBRSLWQEUWVGL-UHFFFAOYSA-N -1 1 363.801 2.402 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2oc3ccccc3c2OC)c1 ZINC000474378513 561072764 /nfs/dbraw/zinc/07/27/64/561072764.db2.gz XVEUZDWCDSVDBG-UHFFFAOYSA-N -1 1 365.363 2.300 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000475578709 561100274 /nfs/dbraw/zinc/10/02/74/561100274.db2.gz QPMHYMZESXYQDZ-ZCFIWIBFSA-N -1 1 364.196 2.319 20 0 FEADMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477029097 561134486 /nfs/dbraw/zinc/13/44/86/561134486.db2.gz IJAAJSHKMMGLHE-UHFFFAOYSA-N -1 1 374.401 2.102 20 0 FEADMM CC[C@H](Cc1ccccc1Br)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477030211 561134637 /nfs/dbraw/zinc/13/46/37/561134637.db2.gz MDZYCWADOFWADA-SNVBAGLBSA-N -1 1 364.247 2.336 20 0 FEADMM O=C(CCCc1ccc(Br)s1)NC1(c2nn[n-]n2)CC1 ZINC000477040503 561135051 /nfs/dbraw/zinc/13/50/51/561135051.db2.gz BJKDRLFSLVDOLR-UHFFFAOYSA-N -1 1 356.249 2.152 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(Br)c(F)c1F)c1nn[n-]n1 ZINC000529023966 562356995 /nfs/dbraw/zinc/35/69/95/562356995.db2.gz YCHLFTCDZJFYKJ-ZCFIWIBFSA-N -1 1 360.162 2.116 20 0 FEADMM CCO[C@@]1(C)C[C@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000529852155 562388770 /nfs/dbraw/zinc/38/87/70/562388770.db2.gz CVKPGTCVOBJXBZ-BEFAXECRSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3COC3)cc2)c1C ZINC000530113142 562398650 /nfs/dbraw/zinc/39/86/50/562398650.db2.gz JKTUJUXOSULNPC-UHFFFAOYSA-N -1 1 374.462 2.480 20 0 FEADMM Cc1ccccc1-c1nc(=N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[nH]1 ZINC000530251147 562404172 /nfs/dbraw/zinc/40/41/72/562404172.db2.gz FMSKPDPSSOJLHG-UONOGXRCSA-N -1 1 374.466 2.057 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000530298207 562405838 /nfs/dbraw/zinc/40/58/38/562405838.db2.gz HAVDXJBITSEIIC-ZDUSSCGKSA-N -1 1 360.439 2.039 20 0 FEADMM O=S(=O)([N-]c1cccc(Cn2cncn2)c1)c1ccc(F)c(F)c1 ZINC000530665683 562419852 /nfs/dbraw/zinc/41/98/52/562419852.db2.gz OSOGCFURRXLNQM-UHFFFAOYSA-N -1 1 350.350 2.405 20 0 FEADMM CN1CCN(C)[C@H](CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)C1 ZINC000530669595 562420076 /nfs/dbraw/zinc/42/00/76/562420076.db2.gz YLHUPHMPUAYVQV-CYBMUJFWSA-N -1 1 356.257 2.123 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000531010341 562431859 /nfs/dbraw/zinc/43/18/59/562431859.db2.gz ZAIRMZOXYOUSEX-UONOGXRCSA-N -1 1 350.440 2.358 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000532162591 562469290 /nfs/dbraw/zinc/46/92/90/562469290.db2.gz LYJQFSIIIAIJJA-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cn(-c3ccccc3)nn2)sc1C ZINC000532496560 562479527 /nfs/dbraw/zinc/47/95/27/562479527.db2.gz ZRUMKTMMULCXRK-NSHDSACASA-N -1 1 363.468 2.380 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(F)cc2)sc1C ZINC000532775117 562488350 /nfs/dbraw/zinc/48/83/50/562488350.db2.gz HCFOWEURJVIRET-CYBMUJFWSA-N -1 1 358.460 2.029 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)sc1C ZINC000532932276 562492936 /nfs/dbraw/zinc/49/29/36/562492936.db2.gz QWIARFHDOHLSFA-CQSZACIVSA-N -1 1 365.480 2.234 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)sc1C ZINC000533253510 562502898 /nfs/dbraw/zinc/50/28/98/562502898.db2.gz IBQVWQPDMYPOKZ-UHFFFAOYSA-N -1 1 373.887 2.122 20 0 FEADMM CCOc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000533624190 562514648 /nfs/dbraw/zinc/51/46/48/562514648.db2.gz SMXLWPGVWOWTNG-UHFFFAOYSA-N -1 1 351.380 2.314 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)co1 ZINC000533689884 562516056 /nfs/dbraw/zinc/51/60/56/562516056.db2.gz OCJKAORIBYFQIV-VIFPVBQESA-N -1 1 358.366 2.299 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(F)(F)F ZINC000534094340 562525156 /nfs/dbraw/zinc/52/51/56/562525156.db2.gz URZSBBLYTDCKGT-LBPRGKRZSA-N -1 1 366.386 2.402 20 0 FEADMM CC[C@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@@H]1CCCO1 ZINC000535216007 562553271 /nfs/dbraw/zinc/55/32/71/562553271.db2.gz LTHBKKDZTKWTDF-JSGCOSHPSA-N -1 1 371.459 2.146 20 0 FEADMM COCCN1C(=O)c2ccccc2N[C@H]1c1n[nH]c2cc(C(=O)[O-])ccc21 ZINC000535736934 562566087 /nfs/dbraw/zinc/56/60/87/562566087.db2.gz UKSPHGYTQPYAMS-QGZVFWFLSA-N -1 1 366.377 2.474 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 ZINC000535849575 562569654 /nfs/dbraw/zinc/56/96/54/562569654.db2.gz IXWYHJANTGZNHV-UHFFFAOYSA-N -1 1 354.366 2.346 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2CCC(=O)CC2)c1 ZINC000536221617 562573681 /nfs/dbraw/zinc/57/36/81/562573681.db2.gz RANMZAZBQOFLCN-UHFFFAOYSA-N -1 1 368.455 2.121 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2Br)cn1 ZINC000536415287 562574962 /nfs/dbraw/zinc/57/49/62/562574962.db2.gz VOJQHDZETCWPSK-UHFFFAOYSA-N -1 1 374.260 2.401 20 0 FEADMM CC[C@@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1C1CC1 ZINC000536507373 562577254 /nfs/dbraw/zinc/57/72/54/562577254.db2.gz UAQYILHMWASLIG-SNVBAGLBSA-N -1 1 366.443 2.485 20 0 FEADMM C[C@H](CSc1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540805708 562593568 /nfs/dbraw/zinc/59/35/68/562593568.db2.gz PZTCUEZXPCBVLR-LLVKDONJSA-N -1 1 366.464 2.407 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc2c1OCO2 ZINC000541133071 562604023 /nfs/dbraw/zinc/60/40/23/562604023.db2.gz QAFHFEVPBVGAPG-UHFFFAOYSA-N -1 1 364.361 2.463 20 0 FEADMM C[N@@H+](CCNS(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000541238433 562606870 /nfs/dbraw/zinc/60/68/70/562606870.db2.gz YEYNMXHOSGIBEA-UHFFFAOYSA-N -1 1 367.696 2.475 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000541802459 562619954 /nfs/dbraw/zinc/61/99/54/562619954.db2.gz SHHFZWNPOQPJHK-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM COCc1cccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000546347746 562636287 /nfs/dbraw/zinc/63/62/87/562636287.db2.gz WSBUPQYSWNWVEJ-UHFFFAOYSA-N -1 1 365.436 2.423 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000546540104 562637714 /nfs/dbraw/zinc/63/77/14/562637714.db2.gz GQBQJIVDYBENGF-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1nc2ccc(Cl)cc2[nH]1 ZINC000806839521 674392371 /nfs/dbraw/zinc/39/23/71/674392371.db2.gz HUTMSWHIHUOUQJ-LURJTMIESA-N -1 1 352.807 2.010 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n[n-]1 ZINC000603156713 568068803 /nfs/dbraw/zinc/06/88/03/568068803.db2.gz SYKRJXVXROTIMB-PEXQALLHSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)[n-]1 ZINC000603156713 568068804 /nfs/dbraw/zinc/06/88/04/568068804.db2.gz SYKRJXVXROTIMB-PEXQALLHSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000603156713 568068805 /nfs/dbraw/zinc/06/88/05/568068805.db2.gz SYKRJXVXROTIMB-PEXQALLHSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(F)cc2Cl)n[n-]1 ZINC000603158473 568069052 /nfs/dbraw/zinc/06/90/52/568069052.db2.gz ZFNQTPHOAYIWOW-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(F)cc2Cl)[n-]1 ZINC000603158473 568069053 /nfs/dbraw/zinc/06/90/53/568069053.db2.gz ZFNQTPHOAYIWOW-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(F)cc2Cl)n1 ZINC000603158473 568069054 /nfs/dbraw/zinc/06/90/54/568069054.db2.gz ZFNQTPHOAYIWOW-MRVPVSSYSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@@H]2CCc3ccccc3C2)n[n-]1 ZINC000603159377 568069145 /nfs/dbraw/zinc/06/91/45/568069145.db2.gz BFEYJTHSEDTPSB-QWHCGFSZSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@@H]2CCc3ccccc3C2)[n-]1 ZINC000603159377 568069146 /nfs/dbraw/zinc/06/91/46/568069146.db2.gz BFEYJTHSEDTPSB-QWHCGFSZSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@@H]2CCc3ccccc3C2)n1 ZINC000603159377 568069147 /nfs/dbraw/zinc/06/91/47/568069147.db2.gz BFEYJTHSEDTPSB-QWHCGFSZSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CSc2ccc(F)cc2)n[n-]1 ZINC000603161415 568069414 /nfs/dbraw/zinc/06/94/14/568069414.db2.gz FMLUVSSVGGZSJC-VIFPVBQESA-N -1 1 352.391 2.090 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CSc2ccc(F)cc2)[n-]1 ZINC000603161415 568069415 /nfs/dbraw/zinc/06/94/15/568069415.db2.gz FMLUVSSVGGZSJC-VIFPVBQESA-N -1 1 352.391 2.090 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CSc2ccc(F)cc2)n1 ZINC000603161415 568069416 /nfs/dbraw/zinc/06/94/16/568069416.db2.gz FMLUVSSVGGZSJC-VIFPVBQESA-N -1 1 352.391 2.090 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)n[n-]1 ZINC000603161811 568069512 /nfs/dbraw/zinc/06/95/12/568069512.db2.gz GSPCHVOOLKNCSY-UWJYBYFXSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)[n-]1 ZINC000603161811 568069513 /nfs/dbraw/zinc/06/95/13/568069513.db2.gz GSPCHVOOLKNCSY-UWJYBYFXSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC000603161811 568069514 /nfs/dbraw/zinc/06/95/14/568069514.db2.gz GSPCHVOOLKNCSY-UWJYBYFXSA-N -1 1 364.352 2.241 20 0 FEADMM COCc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000604292023 568243652 /nfs/dbraw/zinc/24/36/52/568243652.db2.gz KSYGMZPYRVHFAY-UHFFFAOYSA-N -1 1 373.456 2.212 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C(C)C)C1CCC1 ZINC000737202255 598941419 /nfs/dbraw/zinc/94/14/19/598941419.db2.gz YWSMUHZTZMGKSG-UHFFFAOYSA-N -1 1 358.446 2.306 20 0 FEADMM FC(F)(F)COCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737625969 598958704 /nfs/dbraw/zinc/95/87/04/598958704.db2.gz FAYFZGHIEPYHIR-UHFFFAOYSA-N -1 1 353.308 2.191 20 0 FEADMM FC(F)(F)COCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737625969 598958705 /nfs/dbraw/zinc/95/87/05/598958705.db2.gz FAYFZGHIEPYHIR-UHFFFAOYSA-N -1 1 353.308 2.191 20 0 FEADMM c1nnc(CNc2c3ccccc3nnc2-c2nnn[n-]2)n1-c1ccccc1 ZINC000738424634 598959392 /nfs/dbraw/zinc/95/93/92/598959392.db2.gz HOGOKKLQWVSKAK-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1nnc(CNc2c3ccccc3nnc2-c2nn[n-]n2)n1-c1ccccc1 ZINC000738424634 598959393 /nfs/dbraw/zinc/95/93/93/598959393.db2.gz HOGOKKLQWVSKAK-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000736948221 598967002 /nfs/dbraw/zinc/96/70/02/598967002.db2.gz MIICTBRQKRIYTK-UHFFFAOYSA-N -1 1 373.376 2.117 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000736948221 598967003 /nfs/dbraw/zinc/96/70/03/598967003.db2.gz MIICTBRQKRIYTK-UHFFFAOYSA-N -1 1 373.376 2.117 20 0 FEADMM C[S@](=O)Cc1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737173916 598969827 /nfs/dbraw/zinc/96/98/27/598969827.db2.gz QQSNYGQETGGFRU-SANMLTNESA-N -1 1 365.422 2.432 20 0 FEADMM C[S@](=O)Cc1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737173916 598969828 /nfs/dbraw/zinc/96/98/28/598969828.db2.gz QQSNYGQETGGFRU-SANMLTNESA-N -1 1 365.422 2.432 20 0 FEADMM CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735622525 598986161 /nfs/dbraw/zinc/98/61/61/598986161.db2.gz AQXMWSHRAISZIP-UHFFFAOYSA-N -1 1 365.397 2.042 20 0 FEADMM CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735622525 598986163 /nfs/dbraw/zinc/98/61/63/598986163.db2.gz AQXMWSHRAISZIP-UHFFFAOYSA-N -1 1 365.397 2.042 20 0 FEADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736695023 599001650 /nfs/dbraw/zinc/00/16/50/599001650.db2.gz GOFJFILGFOGOIR-AWEZNQCLSA-N -1 1 350.382 2.078 20 0 FEADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736695023 599001652 /nfs/dbraw/zinc/00/16/52/599001652.db2.gz GOFJFILGFOGOIR-AWEZNQCLSA-N -1 1 350.382 2.078 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000737357648 599002155 /nfs/dbraw/zinc/00/21/55/599002155.db2.gz QKMCJGTUMMWYAY-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000737357648 599002157 /nfs/dbraw/zinc/00/21/57/599002157.db2.gz QKMCJGTUMMWYAY-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737488568 599006470 /nfs/dbraw/zinc/00/64/70/599006470.db2.gz QYBIPZKHVREEGE-ZDUSSCGKSA-N -1 1 355.427 2.176 20 0 FEADMM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737488568 599006472 /nfs/dbraw/zinc/00/64/72/599006472.db2.gz QYBIPZKHVREEGE-ZDUSSCGKSA-N -1 1 355.427 2.176 20 0 FEADMM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736401403 599013593 /nfs/dbraw/zinc/01/35/93/599013593.db2.gz WIXYCXDRLHTNCC-NXEZZACHSA-N -1 1 362.459 2.388 20 0 FEADMM CN(Cc1ccc(Br)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816456 599019538 /nfs/dbraw/zinc/01/95/38/599019538.db2.gz HWHQAOYXVYJNQC-UHFFFAOYSA-N -1 1 373.214 2.296 20 0 FEADMM CN(Cc1ccc(Br)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816456 599019540 /nfs/dbraw/zinc/01/95/40/599019540.db2.gz HWHQAOYXVYJNQC-UHFFFAOYSA-N -1 1 373.214 2.296 20 0 FEADMM O=C(NCc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738125124 599021657 /nfs/dbraw/zinc/02/16/57/599021657.db2.gz VENOJXFTJPBABL-UHFFFAOYSA-N -1 1 363.406 2.315 20 0 FEADMM O=C(NCc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738125124 599021659 /nfs/dbraw/zinc/02/16/59/599021659.db2.gz VENOJXFTJPBABL-UHFFFAOYSA-N -1 1 363.406 2.315 20 0 FEADMM CC(C)OC(=O)N1CCC(OC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000735894344 599027582 /nfs/dbraw/zinc/02/75/82/599027582.db2.gz GLVIMMUSHVGHDC-UHFFFAOYSA-N -1 1 365.415 2.094 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)Cc2ccccc2C)C2CCOCC2)n1 ZINC000556671723 674411648 /nfs/dbraw/zinc/41/16/48/674411648.db2.gz QUIGHDXQPPSMIN-INIZCTEOSA-N -1 1 365.455 2.274 20 0 FEADMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccc(-c3nnn[n-]3)o1)N2 ZINC000821849534 599115999 /nfs/dbraw/zinc/11/59/99/599115999.db2.gz LLXUQXXMNMNTJS-MRXNPFEDSA-N -1 1 352.354 2.197 20 0 FEADMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccc(-c3nn[n-]n3)o1)N2 ZINC000821849534 599116001 /nfs/dbraw/zinc/11/60/01/599116001.db2.gz LLXUQXXMNMNTJS-MRXNPFEDSA-N -1 1 352.354 2.197 20 0 FEADMM O=[S@](CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000738357840 599205126 /nfs/dbraw/zinc/20/51/26/599205126.db2.gz SOXDGJGOWDSDMW-XMMPIXPASA-N -1 1 362.846 2.276 20 0 FEADMM O=[S@](CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000738357840 599205129 /nfs/dbraw/zinc/20/51/29/599205129.db2.gz SOXDGJGOWDSDMW-XMMPIXPASA-N -1 1 362.846 2.276 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736961773 599208597 /nfs/dbraw/zinc/20/85/97/599208597.db2.gz LRNVEFXVKSXLMW-AWEZNQCLSA-N -1 1 358.789 2.033 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736961773 599208598 /nfs/dbraw/zinc/20/85/98/599208598.db2.gz LRNVEFXVKSXLMW-AWEZNQCLSA-N -1 1 358.789 2.033 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C[C@@H](C)n2cccc2)c(-c2nn[n-]n2)c1C ZINC000737552932 599217055 /nfs/dbraw/zinc/21/70/55/599217055.db2.gz TWFJOOXWIKBCKX-SNVBAGLBSA-N -1 1 372.385 2.011 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000737270681 599231499 /nfs/dbraw/zinc/23/14/99/599231499.db2.gz OLRUVSCTCPZMNM-CYBMUJFWSA-N -1 1 354.393 2.185 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000737270681 599231500 /nfs/dbraw/zinc/23/15/00/599231500.db2.gz OLRUVSCTCPZMNM-CYBMUJFWSA-N -1 1 354.393 2.185 20 0 FEADMM C[C@@]1(C2CCCCC2)NC(=O)N(CN2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000818080406 597047343 /nfs/dbraw/zinc/04/73/43/597047343.db2.gz AINOUYXWJHHEPR-UGSOOPFHSA-N -1 1 351.447 2.021 20 0 FEADMM CC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736401274 599239770 /nfs/dbraw/zinc/23/97/70/599239770.db2.gz HOXNUBITSHYPRF-SNVBAGLBSA-N -1 1 362.459 2.342 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCc2ncccc21 ZINC000822535025 607294180 /nfs/dbraw/zinc/29/41/80/607294180.db2.gz FEEFKGUMJATWPK-UHFFFAOYSA-N -1 1 361.365 2.157 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCc2ncccc21 ZINC000822535025 607294181 /nfs/dbraw/zinc/29/41/81/607294181.db2.gz FEEFKGUMJATWPK-UHFFFAOYSA-N -1 1 361.365 2.157 20 0 FEADMM Cc1nc(COc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)no1 ZINC000822444451 607317188 /nfs/dbraw/zinc/31/71/88/607317188.db2.gz RQEDZEQAJSJYJS-UHFFFAOYSA-N -1 1 353.342 2.342 20 0 FEADMM Cc1nc(COc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)no1 ZINC000822444451 607317189 /nfs/dbraw/zinc/31/71/89/607317189.db2.gz RQEDZEQAJSJYJS-UHFFFAOYSA-N -1 1 353.342 2.342 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1ccc(F)cc1F ZINC000823582952 607328217 /nfs/dbraw/zinc/32/82/17/607328217.db2.gz DTQMNXGNCHJPPT-UHFFFAOYSA-N -1 1 355.301 2.085 20 0 FEADMM COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865570 598215997 /nfs/dbraw/zinc/21/59/97/598215997.db2.gz SFIHDGZPVAVSGU-BMGDILEWSA-N -1 1 373.453 2.089 20 0 FEADMM Cc1ccn(Cc2cccc(OCC(F)(F)F)c2)c(=O)c1-c1nn[n-]n1 ZINC000822374030 607348754 /nfs/dbraw/zinc/34/87/54/607348754.db2.gz IDMCKLWLCGWKHV-UHFFFAOYSA-N -1 1 365.315 2.326 20 0 FEADMM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736397730 598269912 /nfs/dbraw/zinc/26/99/12/598269912.db2.gz VAFCDBJFQMRHAX-INIZCTEOSA-N -1 1 372.454 2.424 20 0 FEADMM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736397730 598269914 /nfs/dbraw/zinc/26/99/14/598269914.db2.gz VAFCDBJFQMRHAX-INIZCTEOSA-N -1 1 372.454 2.424 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000736292146 598345551 /nfs/dbraw/zinc/34/55/51/598345551.db2.gz IGXKUUYSWDJDAY-QWRGUYRKSA-N -1 1 370.392 2.153 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000736292146 598345553 /nfs/dbraw/zinc/34/55/53/598345553.db2.gz IGXKUUYSWDJDAY-QWRGUYRKSA-N -1 1 370.392 2.153 20 0 FEADMM CCc1nn(Cc2ccccc2OC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707031 598378436 /nfs/dbraw/zinc/37/84/36/598378436.db2.gz OSIKFDWVJODYPS-UHFFFAOYSA-N -1 1 368.441 2.384 20 0 FEADMM FC(F)(F)c1ccccc1OCCNc1nccnc1-c1nnn[n-]1 ZINC000737636992 598387383 /nfs/dbraw/zinc/38/73/83/598387383.db2.gz XCJUHVKCEAYJTO-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1ccccc1OCCNc1nccnc1-c1nn[n-]n1 ZINC000737636992 598387385 /nfs/dbraw/zinc/38/73/85/598387385.db2.gz XCJUHVKCEAYJTO-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM Fc1cc(Br)ccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000737643239 598504133 /nfs/dbraw/zinc/50/41/33/598504133.db2.gz DNPOJBKMKJKCIS-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Fc1cc(Br)ccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000737643239 598504134 /nfs/dbraw/zinc/50/41/34/598504134.db2.gz DNPOJBKMKJKCIS-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)NCc1ccccc1 ZINC000736138677 598575979 /nfs/dbraw/zinc/57/59/79/598575979.db2.gz NPABVGUFKQSKRT-SNVBAGLBSA-N -1 1 357.805 2.032 20 0 FEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)NCc1ccccc1 ZINC000736138677 598575981 /nfs/dbraw/zinc/57/59/81/598575981.db2.gz NPABVGUFKQSKRT-SNVBAGLBSA-N -1 1 357.805 2.032 20 0 FEADMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736270991 598687701 /nfs/dbraw/zinc/68/77/01/598687701.db2.gz LHSSNOGWBRAXLF-IINYFYTJSA-N -1 1 353.423 2.205 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000738372055 598720075 /nfs/dbraw/zinc/72/00/75/598720075.db2.gz MYNIOSLVEZUHOP-UHFFFAOYSA-N -1 1 361.361 2.001 20 0 FEADMM Cn1nccc1[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000737629712 599294962 /nfs/dbraw/zinc/29/49/62/599294962.db2.gz YPKXJPZBZCOQQA-QMMMGPOBSA-N -1 1 350.839 2.094 20 0 FEADMM Cn1nccc1[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000737629712 599294964 /nfs/dbraw/zinc/29/49/64/599294964.db2.gz YPKXJPZBZCOQQA-QMMMGPOBSA-N -1 1 350.839 2.094 20 0 FEADMM CCCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000736487056 599313272 /nfs/dbraw/zinc/31/32/72/599313272.db2.gz BJSOYFRXFMVOFQ-UHFFFAOYSA-N -1 1 358.427 2.489 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000822903427 599316257 /nfs/dbraw/zinc/31/62/57/599316257.db2.gz LDKZLKIKBYWQHF-UWVGGRQHSA-N -1 1 364.196 2.396 20 0 FEADMM C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820698994 599349327 /nfs/dbraw/zinc/34/93/27/599349327.db2.gz XGQJNXWYRUEMEU-MNOVXSKESA-N -1 1 353.423 2.205 20 0 FEADMM Fc1cccc(Cl)c1CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737659964 599397332 /nfs/dbraw/zinc/39/73/32/599397332.db2.gz GWCQZRJRFGDJHS-UHFFFAOYSA-N -1 1 373.823 2.376 20 0 FEADMM Fc1cccc(Cl)c1CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737659964 599397335 /nfs/dbraw/zinc/39/73/35/599397335.db2.gz GWCQZRJRFGDJHS-UHFFFAOYSA-N -1 1 373.823 2.376 20 0 FEADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000738385753 599420799 /nfs/dbraw/zinc/42/07/99/599420799.db2.gz YAWPTGRRORBMRO-LBPRGKRZSA-N -1 1 366.303 2.306 20 0 FEADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000738385753 599420800 /nfs/dbraw/zinc/42/08/00/599420800.db2.gz YAWPTGRRORBMRO-LBPRGKRZSA-N -1 1 366.303 2.306 20 0 FEADMM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nc(-c2cccc(F)c2)no1 ZINC000820432590 599462920 /nfs/dbraw/zinc/46/29/20/599462920.db2.gz QQCRBRCYKRDJGC-VIFPVBQESA-N -1 1 355.333 2.500 20 0 FEADMM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nc(-c2cccc(F)c2)no1 ZINC000820432590 599462922 /nfs/dbraw/zinc/46/29/22/599462922.db2.gz QQCRBRCYKRDJGC-VIFPVBQESA-N -1 1 355.333 2.500 20 0 FEADMM FC(F)(F)[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000822714522 599567823 /nfs/dbraw/zinc/56/78/23/599567823.db2.gz ONHHTTDFXREJLU-CYBMUJFWSA-N -1 1 350.304 2.182 20 0 FEADMM FC(F)(F)[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000822714522 599567824 /nfs/dbraw/zinc/56/78/24/599567824.db2.gz ONHHTTDFXREJLU-CYBMUJFWSA-N -1 1 350.304 2.182 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2ccccc2)no1 ZINC000820508555 599661400 /nfs/dbraw/zinc/66/14/00/599661400.db2.gz ROQJRKBVSBRJJG-SNVBAGLBSA-N -1 1 363.337 2.230 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2ccccc2)no1 ZINC000820508555 599661401 /nfs/dbraw/zinc/66/14/01/599661401.db2.gz ROQJRKBVSBRJJG-SNVBAGLBSA-N -1 1 363.337 2.230 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(C[C@H](O)c3cccc(C(F)(F)F)c3)C2)n[nH]1 ZINC000808777444 674472204 /nfs/dbraw/zinc/47/22/04/674472204.db2.gz NOCCRDLZSSSXMJ-AAEUAGOBSA-N -1 1 356.348 2.442 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)sc1C ZINC000557869425 674472776 /nfs/dbraw/zinc/47/27/76/674472776.db2.gz CRBLOCNLSUMJPA-LLVKDONJSA-N -1 1 360.888 2.468 20 0 FEADMM CN1CCN(c2ccc(Cl)cc2NC(=O)CCCNC(=O)[O-])CC1 ZINC000737530732 599710329 /nfs/dbraw/zinc/71/03/29/599710329.db2.gz WAVLSBVZCOBUKP-UHFFFAOYSA-N -1 1 354.838 2.078 20 0 FEADMM O=C([O-])CCNC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000739735589 599712529 /nfs/dbraw/zinc/71/25/29/599712529.db2.gz YYMMFYLBWUUMKB-UHFFFAOYSA-N -1 1 355.232 2.009 20 0 FEADMM O=C1C[C@@H](c2cccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)c2)CN1 ZINC000823521441 607388777 /nfs/dbraw/zinc/38/87/77/607388777.db2.gz WUMOFIQWHXCCAC-SNVBAGLBSA-N -1 1 355.789 2.262 20 0 FEADMM O=C1C[C@@H](c2cccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)c2)CN1 ZINC000823521441 607388779 /nfs/dbraw/zinc/38/87/79/607388779.db2.gz WUMOFIQWHXCCAC-SNVBAGLBSA-N -1 1 355.789 2.262 20 0 FEADMM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000323965125 599778456 /nfs/dbraw/zinc/77/84/56/599778456.db2.gz UEUIDCDIIYQHLJ-PELKAZGASA-N -1 1 372.208 2.296 20 0 FEADMM CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736995208 599786092 /nfs/dbraw/zinc/78/60/92/599786092.db2.gz KYUFZTDJASHFSV-GFCCVEGCSA-N -1 1 360.501 2.379 20 0 FEADMM Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000738760666 599808771 /nfs/dbraw/zinc/80/87/71/599808771.db2.gz JPNAMPWUYSKAAI-KUHUBIRLSA-N -1 1 359.426 2.049 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)c(C(=O)[O-])s1 ZINC000737680251 599813603 /nfs/dbraw/zinc/81/36/03/599813603.db2.gz GQIMQEOUJUFZJK-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736653041 599855054 /nfs/dbraw/zinc/85/50/54/599855054.db2.gz STERXRXBKPHWLV-SNVBAGLBSA-N -1 1 367.365 2.410 20 0 FEADMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cccc1F)Cc1cccc(F)c1 ZINC000739500343 599979804 /nfs/dbraw/zinc/97/98/04/599979804.db2.gz ARXOOMOXQIYDOF-NSHDSACASA-N -1 1 373.352 2.326 20 0 FEADMM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1[nH]c(-c2ccccc2)nc1C)C(=O)[O-] ZINC000736875340 600029144 /nfs/dbraw/zinc/02/91/44/600029144.db2.gz WMTOGIRNOZFPGU-IAQYHMDHSA-N -1 1 373.409 2.157 20 0 FEADMM COc1ccnc(N2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738142658 600045244 /nfs/dbraw/zinc/04/52/44/600045244.db2.gz DHQOLZWHJLUMFN-UHFFFAOYSA-N -1 1 369.421 2.070 20 0 FEADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000739547665 600076741 /nfs/dbraw/zinc/07/67/41/600076741.db2.gz NCCXRMUPYAEHSQ-CABCVRRESA-N -1 1 350.846 2.389 20 0 FEADMM CN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737356860 600094460 /nfs/dbraw/zinc/09/44/60/600094460.db2.gz XIIAYFVPQFEJIG-UHFFFAOYSA-N -1 1 366.370 2.027 20 0 FEADMM COCCOc1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737820133 600097852 /nfs/dbraw/zinc/09/78/52/600097852.db2.gz BDGANSHSNXZCTF-UHFFFAOYSA-N -1 1 369.370 2.350 20 0 FEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000737358307 600102710 /nfs/dbraw/zinc/10/27/10/600102710.db2.gz LLBMIENVJNSOHT-MJGOQNOKSA-N -1 1 372.440 2.358 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(F)cc1F ZINC000740089243 600230059 /nfs/dbraw/zinc/23/00/59/600230059.db2.gz BTHKBKAJZGLZMV-UHFFFAOYSA-N -1 1 371.317 2.235 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000738667941 600296243 /nfs/dbraw/zinc/29/62/43/600296243.db2.gz LQLSADFIWRJXJU-MRXNPFEDSA-N -1 1 362.495 2.390 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737359147 600344582 /nfs/dbraw/zinc/34/45/82/600344582.db2.gz SQUPYVNYSCLYHH-ZIAGYGMSSA-N -1 1 351.472 2.247 20 0 FEADMM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccnc2)c1 ZINC000740069604 600360901 /nfs/dbraw/zinc/36/09/01/600360901.db2.gz YMNXDFFWTWPHOS-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM COCCN(CC[S@](=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000737800300 600410307 /nfs/dbraw/zinc/41/03/07/600410307.db2.gz QYFUJYOBKNEHBM-NRFANRHFSA-N -1 1 354.255 2.134 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000649464563 600424273 /nfs/dbraw/zinc/42/42/73/600424273.db2.gz IASGZZBHPNCOFS-MGPQQGTHSA-N -1 1 356.344 2.117 20 0 FEADMM CN(C)c1cccc([C@H]2CCCN2CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000737387374 600564952 /nfs/dbraw/zinc/56/49/52/600564952.db2.gz XVNSFKGCCUIGDW-GOSISDBHSA-N -1 1 359.470 2.213 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]ccc2c1 ZINC000737688595 600565123 /nfs/dbraw/zinc/56/51/23/600565123.db2.gz NBCAPRBGOIGVKW-UHFFFAOYSA-N -1 1 374.374 2.454 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000568634312 600570952 /nfs/dbraw/zinc/57/09/52/600570952.db2.gz PMTKOBYWZZLPFC-KOLCDFICSA-N -1 1 356.444 2.213 20 0 FEADMM COC[C@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC000737752790 600573855 /nfs/dbraw/zinc/57/38/55/600573855.db2.gz YRIYKLFXXGIPGC-NSHDSACASA-N -1 1 352.456 2.232 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000739568303 600656589 /nfs/dbraw/zinc/65/65/89/600656589.db2.gz LBEXFIHCAQURAO-ZWKOTPCHSA-N -1 1 373.497 2.206 20 0 FEADMM COCCC1(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000809249751 674489007 /nfs/dbraw/zinc/48/90/07/674489007.db2.gz GXDZHZOIOPRCKR-SRVKXCTJSA-N -1 1 350.381 2.107 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2F)ccc1C(=O)[O-] ZINC000831326993 600687879 /nfs/dbraw/zinc/68/78/79/600687879.db2.gz FJDRTTVHJYYMSX-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000828266254 600710709 /nfs/dbraw/zinc/71/07/09/600710709.db2.gz QYPXAEMHGYHGEL-VXGBXAGGSA-N -1 1 374.890 2.437 20 0 FEADMM O=C([O-])[C@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1F ZINC000833164524 600736064 /nfs/dbraw/zinc/73/60/64/600736064.db2.gz AJJVVMNYSVTMMM-GOSISDBHSA-N -1 1 372.396 2.214 20 0 FEADMM CN(C)C(=O)COc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830556399 600740833 /nfs/dbraw/zinc/74/08/33/600740833.db2.gz DRKXQRSJMOOKLL-GOSISDBHSA-N -1 1 360.385 2.208 20 0 FEADMM CCOC[C@H]1CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829984832 600797349 /nfs/dbraw/zinc/79/73/49/600797349.db2.gz ROWPTWFJZSFPSY-JSGCOSHPSA-N -1 1 352.456 2.300 20 0 FEADMM Cc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)[nH]1 ZINC000832990462 600946561 /nfs/dbraw/zinc/94/65/61/600946561.db2.gz CAPBUGJFAUUCJV-UHFFFAOYSA-N -1 1 358.326 2.144 20 0 FEADMM Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)n1 ZINC000832990462 600946564 /nfs/dbraw/zinc/94/65/64/600946564.db2.gz CAPBUGJFAUUCJV-UHFFFAOYSA-N -1 1 358.326 2.144 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCc2nc3ccccc3s2)CCCCC1 ZINC000772826146 601005675 /nfs/dbraw/zinc/00/56/75/601005675.db2.gz VTVMXGBPKAFKLO-UHFFFAOYSA-N -1 1 361.467 2.332 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832955501 601039143 /nfs/dbraw/zinc/03/91/43/601039143.db2.gz FFCNIHHNKMYINI-KRWDZBQOSA-N -1 1 362.451 2.031 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)N2CCN(CC(C)C)CC2)c1OC ZINC000831896535 601078914 /nfs/dbraw/zinc/07/89/14/601078914.db2.gz DTVRXQYPBMOZAT-UHFFFAOYSA-N -1 1 365.430 2.208 20 0 FEADMM Cc1ccc(Cl)c(OCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000630225547 601090280 /nfs/dbraw/zinc/09/02/80/601090280.db2.gz UZWLQZORMPHREL-ZDUSSCGKSA-N -1 1 354.834 2.035 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)CCc2ccccc2F)CC1 ZINC000630222514 601090292 /nfs/dbraw/zinc/09/02/92/601090292.db2.gz FVAQGSIMTSHZHB-LSDHHAIUSA-N -1 1 350.434 2.402 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000630223187 601098827 /nfs/dbraw/zinc/09/88/27/601098827.db2.gz IKOROYQYOOPYFA-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM Cc1noc2nc(C(C)C)cc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c12 ZINC000630226471 601100710 /nfs/dbraw/zinc/10/07/10/601100710.db2.gz WEYTXFJUOLNNTI-GFCCVEGCSA-N -1 1 374.441 2.276 20 0 FEADMM Cc1cc(OCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1Cl ZINC000630226746 601104376 /nfs/dbraw/zinc/10/43/76/601104376.db2.gz ZHUFVOXLAVROPD-CYBMUJFWSA-N -1 1 354.834 2.035 20 0 FEADMM CCc1nc2cc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)ccc2o1 ZINC000830322517 601134032 /nfs/dbraw/zinc/13/40/32/601134032.db2.gz CVLQXWKOVGSANO-GFCCVEGCSA-N -1 1 360.414 2.403 20 0 FEADMM CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000197839557 601152521 /nfs/dbraw/zinc/15/25/21/601152521.db2.gz LGTSQHQTJGKLSV-UHFFFAOYSA-N -1 1 362.451 2.137 20 0 FEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(C)c(C(=O)[O-])c3)[nH]c2c1 ZINC000832958596 601169386 /nfs/dbraw/zinc/16/93/86/601169386.db2.gz BFNZXICQJXACGU-UHFFFAOYSA-N -1 1 366.377 2.133 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000828265875 601219411 /nfs/dbraw/zinc/21/94/11/601219411.db2.gz LMXSWFISUXFUNV-FSQQNCNXSA-N -1 1 366.483 2.183 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737622043 601225475 /nfs/dbraw/zinc/22/54/75/601225475.db2.gz OFODZCYSWVHICR-UHFFFAOYSA-N -1 1 372.462 2.265 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000828237543 601239900 /nfs/dbraw/zinc/23/99/00/601239900.db2.gz COPGJUHHGOSBDJ-TYJMOYENSA-N -1 1 366.483 2.326 20 0 FEADMM COC(=O)c1cc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc(C(=O)[O-])c1 ZINC000831282232 601267275 /nfs/dbraw/zinc/26/72/75/601267275.db2.gz XDWNDVXCGTWFFT-UHFFFAOYSA-N -1 1 372.381 2.306 20 0 FEADMM O=C([O-])CCc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000833239208 601311890 /nfs/dbraw/zinc/31/18/90/601311890.db2.gz ZLWLRUHGXGKSBW-UHFFFAOYSA-N -1 1 361.442 2.032 20 0 FEADMM COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000831453473 601383897 /nfs/dbraw/zinc/38/38/97/601383897.db2.gz PXTLRJJMEPXRDA-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1(N2CCOCC2)CCCC1 ZINC000827629641 601384011 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COc1c(F)ccc(F)c1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000831856523 601680818 /nfs/dbraw/zinc/68/08/18/601680818.db2.gz HZCOXMGQRNTZHT-UHFFFAOYSA-N -1 1 357.338 2.485 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000630222396 601687194 /nfs/dbraw/zinc/68/71/94/601687194.db2.gz DQBSCEIYCIQHQM-HNNXBMFYSA-N -1 1 357.454 2.118 20 0 FEADMM Cc1nnc(SCCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)[nH]1 ZINC000833020865 601698671 /nfs/dbraw/zinc/69/86/71/601698671.db2.gz DKLUDOWRZXNYIB-LBPRGKRZSA-N -1 1 354.819 2.191 20 0 FEADMM O=C([O-])[C@@]1(NC(=O)c2ccncc2F)CCCN(Cc2ccccc2)C1 ZINC000833128828 601733620 /nfs/dbraw/zinc/73/36/20/601733620.db2.gz NVUOBQJUUDIOMQ-LJQANCHMSA-N -1 1 357.385 2.070 20 0 FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000830605006 601800007 /nfs/dbraw/zinc/80/00/07/601800007.db2.gz YVPNZJBLDISGAY-UHFFFAOYSA-N -1 1 360.501 2.331 20 0 FEADMM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832906504 601840062 /nfs/dbraw/zinc/84/00/62/601840062.db2.gz IWGHDCPIDLOZRZ-UHFFFAOYSA-N -1 1 366.786 2.419 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)C3CCC(NC(=O)[O-])CC3)c2)CC1 ZINC000739735866 601904886 /nfs/dbraw/zinc/90/48/86/601904886.db2.gz FVYUTWRSHINXDF-UHFFFAOYSA-N -1 1 374.485 2.199 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826008243 601924158 /nfs/dbraw/zinc/92/41/58/601924158.db2.gz HFJXSOJFRQDJME-AAEUAGOBSA-N -1 1 356.875 2.237 20 0 FEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000740643649 601937814 /nfs/dbraw/zinc/93/78/14/601937814.db2.gz TXLZOQSTIZZMFF-NSHDSACASA-N -1 1 374.268 2.242 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738626309 601959136 /nfs/dbraw/zinc/95/91/36/601959136.db2.gz CEAWSSOYNWTAIX-QWRGUYRKSA-N -1 1 370.247 2.366 20 0 FEADMM O=C([O-])c1ccc(COC(=O)CCNC(=O)c2n[nH]c3ccccc32)s1 ZINC000833100955 602007082 /nfs/dbraw/zinc/00/70/82/602007082.db2.gz OCBYQFXMOFVLCA-UHFFFAOYSA-N -1 1 373.390 2.186 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000263055247 602017746 /nfs/dbraw/zinc/01/77/46/602017746.db2.gz FWJXJNDJSSGMQC-CQSZACIVSA-N -1 1 352.188 2.262 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)N2CCCC2)o1 ZINC000740117680 602021319 /nfs/dbraw/zinc/02/13/19/602021319.db2.gz LJYMQNNEBSWBSV-HNNXBMFYSA-N -1 1 364.446 2.167 20 0 FEADMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C)onc2N)cc1OCC ZINC000558430839 674495127 /nfs/dbraw/zinc/49/51/27/674495127.db2.gz UKYXNQPTGIPNNU-SNVBAGLBSA-N -1 1 369.443 2.402 20 0 FEADMM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739292787 602138169 /nfs/dbraw/zinc/13/81/69/602138169.db2.gz AUHIXZQYTJZTHM-IBGZPJMESA-N -1 1 362.474 2.199 20 0 FEADMM Clc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1N1CCOCC1 ZINC000826353372 607547872 /nfs/dbraw/zinc/54/78/72/607547872.db2.gz MRMZQSFKAZGJDN-UHFFFAOYSA-N -1 1 371.832 2.364 20 0 FEADMM Clc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1N1CCOCC1 ZINC000826353372 607547874 /nfs/dbraw/zinc/54/78/74/607547874.db2.gz 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CN(C(=O)[O-])C1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000737940234 602530117 /nfs/dbraw/zinc/53/01/17/602530117.db2.gz TWGSPOORMYACQT-UHFFFAOYSA-N -1 1 370.453 2.127 20 0 FEADMM C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738632141 602534456 /nfs/dbraw/zinc/53/44/56/602534456.db2.gz ZMARFLSPFKJOGT-GXTWGEPZSA-N -1 1 353.850 2.276 20 0 FEADMM CCCN(CC(=O)N[C@@H](C)c1ccccc1OC)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352628 602545241 /nfs/dbraw/zinc/54/52/41/602545241.db2.gz DSMIEFWZROLRTI-GJZGRUSLSA-N -1 1 363.458 2.337 20 0 FEADMM CCCN(CC(=O)NCc1cccc(Cl)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354067 602545731 /nfs/dbraw/zinc/54/57/31/602545731.db2.gz OLFUFKAFNCFFFW-HNNXBMFYSA-N -1 1 353.850 2.421 20 0 FEADMM CCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739355294 602546655 /nfs/dbraw/zinc/54/66/55/602546655.db2.gz XPUGSMYTNYHMSN-CZUORRHYSA-N -1 1 351.422 2.467 20 0 FEADMM C[C@@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738612381 602591298 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C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000739002308 602689749 /nfs/dbraw/zinc/68/97/49/602689749.db2.gz HHYJKWIQVCDHSI-TZMCWYRMSA-N -1 1 368.503 2.429 20 0 FEADMM C[C@@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738917616 602700657 /nfs/dbraw/zinc/70/06/57/602700657.db2.gz FDQLCPBTJGMNQF-JKSUJKDBSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1ccc(CC(=O)N2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000740120928 602704943 /nfs/dbraw/zinc/70/49/43/602704943.db2.gz BOYNCFKCXREWSU-SFHVURJKSA-N -1 1 359.470 2.072 20 0 FEADMM CN1CCN(c2ccc(NC(=O)C3CCC(NC(=O)[O-])CC3)cc2)CC1 ZINC000739736864 602723300 /nfs/dbraw/zinc/72/33/00/602723300.db2.gz RUJFDXNXCWTLLO-UHFFFAOYSA-N -1 1 360.458 2.203 20 0 FEADMM O=C(NCCS(=O)(=O)CCc1ccccc1)c1c(F)ccc([O-])c1F ZINC000809802982 674510716 /nfs/dbraw/zinc/51/07/16/674510716.db2.gz NPWMGOVLOSGVQX-UHFFFAOYSA-N -1 1 369.389 2.058 20 0 FEADMM CCCCCC[C@](C)([N-]S(=O)(=O)c1c(C)onc1N)C(=O)OCC ZINC000809815671 674511907 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FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1cccs1 ZINC000828200710 603010905 /nfs/dbraw/zinc/01/09/05/603010905.db2.gz YOLWXLBFOMLDOC-OLZOCXBDSA-N -1 1 354.476 2.135 20 0 FEADMM CC(C)(C)c1ccc(N)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000824136797 607603173 /nfs/dbraw/zinc/60/31/73/607603173.db2.gz VTKYUZFYUGFXCY-UHFFFAOYSA-N -1 1 352.398 2.498 20 0 FEADMM CC(C)(C)c1ccc(N)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000824136797 607603174 /nfs/dbraw/zinc/60/31/74/607603174.db2.gz VTKYUZFYUGFXCY-UHFFFAOYSA-N -1 1 352.398 2.498 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000739206400 603132286 /nfs/dbraw/zinc/13/22/86/603132286.db2.gz YLJAXGIKLBUTNZ-GZBFAFLISA-N -1 1 365.430 2.036 20 0 FEADMM O=S(=O)(Oc1cc(F)ccc1F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493361 607609477 /nfs/dbraw/zinc/60/94/77/607609477.db2.gz HIMDRAKPNMEZRD-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cc(F)ccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493361 607609478 /nfs/dbraw/zinc/60/94/78/607609478.db2.gz HIMDRAKPNMEZRD-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000826467327 607609636 /nfs/dbraw/zinc/60/96/36/607609636.db2.gz RIHPHHTXQGFXOV-UHFFFAOYSA-N -1 1 366.312 2.012 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000826467327 607609638 /nfs/dbraw/zinc/60/96/38/607609638.db2.gz RIHPHHTXQGFXOV-UHFFFAOYSA-N -1 1 366.312 2.012 20 0 FEADMM O=C(COc1ccc2c(c1)CCCC2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826417823 607614700 /nfs/dbraw/zinc/61/47/00/607614700.db2.gz HXGIMPNMVJMQRS-UHFFFAOYSA-N -1 1 365.393 2.263 20 0 FEADMM O=C(COc1ccc2c(c1)CCCC2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826417823 607614702 /nfs/dbraw/zinc/61/47/02/607614702.db2.gz HXGIMPNMVJMQRS-UHFFFAOYSA-N -1 1 365.393 2.263 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000824915540 607614886 /nfs/dbraw/zinc/61/48/86/607614886.db2.gz GBLRPMWQCFRBHG-FOGDFJRCSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000824915540 607614887 /nfs/dbraw/zinc/61/48/87/607614887.db2.gz GBLRPMWQCFRBHG-FOGDFJRCSA-N -1 1 353.423 2.109 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000832690578 603319834 /nfs/dbraw/zinc/31/98/34/603319834.db2.gz MHYWARFYWVYKBV-HNNXBMFYSA-N -1 1 357.410 2.442 20 0 FEADMM C[C@@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739173935 603414978 /nfs/dbraw/zinc/41/49/78/603414978.db2.gz NKAJDWFFGMFBTR-ZBFHGGJFSA-N -1 1 365.499 2.263 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cc(F)ccc3O)cc2)n1 ZINC000832730250 603473939 /nfs/dbraw/zinc/47/39/39/603473939.db2.gz POXREYFSQSMELH-UHFFFAOYSA-N -1 1 371.328 2.336 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)Cc1ccccc1 ZINC000832114115 603484646 /nfs/dbraw/zinc/48/46/46/603484646.db2.gz SLUJWBGNZNEWEJ-CYBMUJFWSA-N -1 1 366.381 2.074 20 0 FEADMM Cc1cc(CN2CCSCC2)ccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000830036168 603569667 /nfs/dbraw/zinc/56/96/67/603569667.db2.gz LCAKVHJLENJFED-UHFFFAOYSA-N -1 1 363.483 2.482 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823685643 603624541 /nfs/dbraw/zinc/62/45/41/603624541.db2.gz LJUZEYOTNIQIOP-HIFRSBDPSA-N -1 1 363.458 2.241 20 0 FEADMM CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC(C)(C)CNC(=O)[O-] ZINC000828090132 603627822 /nfs/dbraw/zinc/62/78/22/603627822.db2.gz KRBBKJREMULZFI-LLVKDONJSA-N -1 1 353.385 2.013 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])c1ccsc1 ZINC000827996339 603688781 /nfs/dbraw/zinc/68/87/81/603688781.db2.gz XJVLVTLJEIQDOF-FPMFFAJLSA-N -1 1 354.476 2.086 20 0 FEADMM O=C([O-])N1CCC[C@@H](CNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000831639637 603728183 /nfs/dbraw/zinc/72/81/83/603728183.db2.gz GKKJRBRFNUVGTF-AWEZNQCLSA-N -1 1 354.410 2.367 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])ccc1F ZINC000828042605 603800954 /nfs/dbraw/zinc/80/09/54/603800954.db2.gz JKEALWQVAYJBGU-CJNGLKHVSA-N -1 1 366.437 2.123 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000826111042 603803221 /nfs/dbraw/zinc/80/32/21/603803221.db2.gz YCNKOYWKGPGGNB-ABAIWWIYSA-N -1 1 367.421 2.007 20 0 FEADMM CC(C)[C@@H](CCN(C)CC(=O)N[C@H]1CCOc2ccccc21)NC(=O)[O-] ZINC000824100624 603822991 /nfs/dbraw/zinc/82/29/91/603822991.db2.gz XSGRSFKOYNBGKA-CVEARBPZSA-N -1 1 363.458 2.241 20 0 FEADMM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NCCN1CCc2ccccc2C1 ZINC000831303539 603834128 /nfs/dbraw/zinc/83/41/28/603834128.db2.gz CFPLMRJUNZUELM-QNBRMCRTSA-N -1 1 371.481 2.472 20 0 FEADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000832482186 603846799 /nfs/dbraw/zinc/84/67/99/603846799.db2.gz MSVSDMDOHYHTLY-WMLDXEAASA-N -1 1 354.410 2.413 20 0 FEADMM O=C([O-])NCCC(=O)OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000738654473 603915024 /nfs/dbraw/zinc/91/50/24/603915024.db2.gz BOJZWSYAKLYDBU-GFCCVEGCSA-N -1 1 356.369 2.378 20 0 FEADMM CN(CCCS(=O)(=O)c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828305382 603978015 /nfs/dbraw/zinc/97/80/15/603978015.db2.gz IDBJLSAUTSIWLO-UHFFFAOYSA-N -1 1 358.435 2.064 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccsc1 ZINC000827994010 604025148 /nfs/dbraw/zinc/02/51/48/604025148.db2.gz GNYOYACINQPOPD-AWEZNQCLSA-N -1 1 354.476 2.135 20 0 FEADMM CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824802028 607668863 /nfs/dbraw/zinc/66/88/63/607668863.db2.gz JYLHHLDJTGXIHU-CYBMUJFWSA-N -1 1 353.423 2.253 20 0 FEADMM O=C([O-])NCCCOC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000832632884 604108504 /nfs/dbraw/zinc/10/85/04/604108504.db2.gz LGUHROFHPHATLI-MRXNPFEDSA-N -1 1 358.385 2.137 20 0 FEADMM Cc1cccc(C)c1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826297168 607675115 /nfs/dbraw/zinc/67/51/15/607675115.db2.gz XTVJLABXPDEMEA-UHFFFAOYSA-N -1 1 361.402 2.101 20 0 FEADMM Cc1cccc(C)c1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826297168 607675116 /nfs/dbraw/zinc/67/51/16/607675116.db2.gz XTVJLABXPDEMEA-UHFFFAOYSA-N -1 1 361.402 2.101 20 0 FEADMM CC[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)N(C)C ZINC000828587158 604268555 /nfs/dbraw/zinc/26/85/55/604268555.db2.gz NWKIATRXFLMIDF-HZPDHXFCSA-N -1 1 361.442 2.045 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCCOc2ccc3c(c2)CCC3)CC1 ZINC000827361879 604299301 /nfs/dbraw/zinc/29/93/01/604299301.db2.gz GMTMRTKWXOEXJC-MRXNPFEDSA-N -1 1 374.481 2.342 20 0 FEADMM COc1ccc([C@@H](CNC(=O)C2(NC(=O)[O-])CC2)N2CCCCC2)cc1 ZINC000829313102 604420811 /nfs/dbraw/zinc/42/08/11/604420811.db2.gz ZTHNESQYZADMQB-MRXNPFEDSA-N -1 1 361.442 2.139 20 0 FEADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833387410 604479886 /nfs/dbraw/zinc/47/98/86/604479886.db2.gz BJRRWPWNOSQVRZ-QGZVFWFLSA-N -1 1 360.454 2.070 20 0 FEADMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000825485277 604772035 /nfs/dbraw/zinc/77/20/35/604772035.db2.gz NWIGATJHSCVHBM-LLVKDONJSA-N -1 1 359.348 2.178 20 0 FEADMM Cc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)s1 ZINC000826295207 607716838 /nfs/dbraw/zinc/71/68/38/607716838.db2.gz WTTOHOYUHQYZLG-UHFFFAOYSA-N -1 1 366.406 2.138 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n[nH]2)c1 ZINC000829530641 604835126 /nfs/dbraw/zinc/83/51/26/604835126.db2.gz BOWXWFBHAKZTHR-LBPRGKRZSA-N -1 1 358.398 2.157 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC(N(C)C(=O)[O-])CC3)n[nH]2)c1 ZINC000829531323 604848417 /nfs/dbraw/zinc/84/84/17/604848417.db2.gz HTSHIDMCFOWHEW-UHFFFAOYSA-N -1 1 358.398 2.300 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000833416640 604856832 /nfs/dbraw/zinc/85/68/32/604856832.db2.gz CCMFEHFNFWCEFJ-IUODEOHRSA-N -1 1 362.401 2.280 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)c(OC)c1C(=O)[O-] ZINC000833734406 604861133 /nfs/dbraw/zinc/86/11/33/604861133.db2.gz BZHKQEJRGUERTC-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)c1C ZINC000324971572 604889504 /nfs/dbraw/zinc/88/95/04/604889504.db2.gz OBAWITISJGGLNO-UHFFFAOYSA-N -1 1 351.340 2.106 20 0 FEADMM CN(C(=O)CN1CCC[C@@H](C[C@@H]2CCOC2)C1)c1ccccc1C(=O)[O-] ZINC000833684816 605020286 /nfs/dbraw/zinc/02/02/86/605020286.db2.gz ULQHCUOWGLAQOM-HOTGVXAUSA-N -1 1 360.454 2.486 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833490642 605101690 /nfs/dbraw/zinc/10/16/90/605101690.db2.gz LWMDJYYZVYFDBN-MRXNPFEDSA-N -1 1 362.470 2.271 20 0 FEADMM CC(C)Cn1ncc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1C(F)F ZINC000833494263 605161340 /nfs/dbraw/zinc/16/13/40/605161340.db2.gz KMUBDRDMAXDIJV-LBPRGKRZSA-N -1 1 372.416 2.098 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000833629642 605200455 /nfs/dbraw/zinc/20/04/55/605200455.db2.gz YZKCVCZAKNOAQR-GFCCVEGCSA-N -1 1 373.375 2.125 20 0 FEADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)CCSC1 ZINC000559067211 674526484 /nfs/dbraw/zinc/52/64/84/674526484.db2.gz MXMVPPJGOJTUHB-CQSZACIVSA-N -1 1 365.423 2.092 20 0 FEADMM CCC(CC)n1nc(C)cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000833642010 605255064 /nfs/dbraw/zinc/25/50/64/605255064.db2.gz VVVRCEJTJDQEOV-AWEZNQCLSA-N -1 1 350.463 2.174 20 0 FEADMM C[C@H]1CN(C(=O)/C=C\c2nc3ccccc3s2)CCN1CCC(=O)[O-] ZINC000833619846 605277007 /nfs/dbraw/zinc/27/70/07/605277007.db2.gz VTJMRPMGDOTQKO-FWWRYZNZSA-N -1 1 359.451 2.317 20 0 FEADMM C[C@@H]1CN(C(=O)Cc2coc3cc4c(cc23)CCC4)CCN1CCC(=O)[O-] ZINC000833622043 605277880 /nfs/dbraw/zinc/27/78/80/605277880.db2.gz KYJIKGUYPRHFNV-CQSZACIVSA-N -1 1 370.449 2.471 20 0 FEADMM COc1ccc2oc(C)c(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)c2c1 ZINC000833734890 605279585 /nfs/dbraw/zinc/27/95/85/605279585.db2.gz JKQGGEHRWXQJAQ-LBPRGKRZSA-N -1 1 360.410 2.371 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)n[nH]1 ZINC000830035950 605297225 /nfs/dbraw/zinc/29/72/25/605297225.db2.gz HTWWSMXJAOUNAK-YPMHNXCESA-N -1 1 359.430 2.477 20 0 FEADMM CCc1nc2n(n1)C[C@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC000833677622 605359440 /nfs/dbraw/zinc/35/94/40/605359440.db2.gz WYNFPRZEGBMKAQ-PSLIRLAXSA-N -1 1 352.797 2.363 20 0 FEADMM Cc1nc(CN2CCCN(Cc3cccc4c3N(C(=O)[O-])CC4)CC2)no1 ZINC000830752123 605394432 /nfs/dbraw/zinc/39/44/32/605394432.db2.gz SZXOEIHQDRPEON-UHFFFAOYSA-N -1 1 371.441 2.126 20 0 FEADMM Cn1cc(-c2nc(CN3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@H]4C3)cs2)cn1 ZINC000833945168 605430689 /nfs/dbraw/zinc/43/06/89/605430689.db2.gz MTBIGSXXFFYUNK-CQDKDKBSSA-N -1 1 361.471 2.412 20 0 FEADMM CC(C)CN1Cc2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC000833487573 605446723 /nfs/dbraw/zinc/44/67/23/605446723.db2.gz JPBIIJKMFVTQKS-UHFFFAOYSA-N -1 1 363.439 2.485 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@H]21 ZINC000834185050 605459087 /nfs/dbraw/zinc/45/90/87/605459087.db2.gz HSSRVVDQRDUXQA-CYZMBNFOSA-N -1 1 352.822 2.042 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000833627513 605634770 /nfs/dbraw/zinc/63/47/70/605634770.db2.gz XBWWWMIRSWNPBH-YJBOKZPZSA-N -1 1 360.454 2.202 20 0 FEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000833480856 605725377 /nfs/dbraw/zinc/72/53/77/605725377.db2.gz JMALDPMQUCZYSC-QGZVFWFLSA-N -1 1 369.506 2.020 20 0 FEADMM O=C([O-])N[C@H]1C[C@H](NCc2cccnc2N2CCOCC2)c2ccccc21 ZINC000834157224 605792036 /nfs/dbraw/zinc/79/20/36/605792036.db2.gz HCORTKBABZEPHJ-ROUUACIJSA-N -1 1 368.437 2.462 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827945 605879538 /nfs/dbraw/zinc/87/95/38/605879538.db2.gz CJIUXRMLZMIDAB-TYNCELHUSA-N -1 1 351.834 2.423 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827945 605879541 /nfs/dbraw/zinc/87/95/41/605879541.db2.gz CJIUXRMLZMIDAB-TYNCELHUSA-N -1 1 351.834 2.423 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827941 605879775 /nfs/dbraw/zinc/87/97/75/605879775.db2.gz CJIUXRMLZMIDAB-JMSVASOKSA-N -1 1 351.834 2.423 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827941 605879781 /nfs/dbraw/zinc/87/97/81/605879781.db2.gz CJIUXRMLZMIDAB-JMSVASOKSA-N -1 1 351.834 2.423 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1C[C@H](O)c1ccccc1Br ZINC000833829979 605884919 /nfs/dbraw/zinc/88/49/19/605884919.db2.gz ICKBBVHYCVYCPW-GYSYKLTISA-N -1 1 357.248 2.461 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@H](CNC(=O)[O-])C[C@H]2C)cc1 ZINC000833907772 605900710 /nfs/dbraw/zinc/90/07/10/605900710.db2.gz SUNAEPNHHKOKRJ-CABCVRRESA-N -1 1 365.499 2.181 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@@H](CNC(=O)[O-])C[C@@H]2C)cc1 ZINC000833907775 605901442 /nfs/dbraw/zinc/90/14/42/605901442.db2.gz SUNAEPNHHKOKRJ-LSDHHAIUSA-N -1 1 365.499 2.181 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc2C1 ZINC000834058461 605918281 /nfs/dbraw/zinc/91/82/81/605918281.db2.gz WHFIEBXORGJJCG-UHFFFAOYSA-N -1 1 364.361 2.212 20 0 FEADMM O=C([O-])N[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834252027 606094187 /nfs/dbraw/zinc/09/41/87/606094187.db2.gz XUCBRCAFOWPKCB-HUUCEWRRSA-N -1 1 369.425 2.397 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1cccc(Cl)c1 ZINC000823027497 606135999 /nfs/dbraw/zinc/13/59/99/606135999.db2.gz VKGSUYYMAPBDQN-UHFFFAOYSA-N -1 1 363.786 2.377 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1cccc(Cl)c1 ZINC000823027497 606136001 /nfs/dbraw/zinc/13/60/01/606136001.db2.gz VKGSUYYMAPBDQN-UHFFFAOYSA-N -1 1 363.786 2.377 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(-c2cccnc2)no1 ZINC000820512997 606136970 /nfs/dbraw/zinc/13/69/70/606136970.db2.gz RSSZGMVRNQCWSF-QMMMGPOBSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(-c2cccnc2)no1 ZINC000820512997 606136973 /nfs/dbraw/zinc/13/69/73/606136973.db2.gz RSSZGMVRNQCWSF-QMMMGPOBSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820295080 606154631 /nfs/dbraw/zinc/15/46/31/606154631.db2.gz XRBQENCMLDTZAY-SNVBAGLBSA-N -1 1 374.836 2.349 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820295080 606154633 /nfs/dbraw/zinc/15/46/33/606154633.db2.gz XRBQENCMLDTZAY-SNVBAGLBSA-N -1 1 374.836 2.349 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2CCC(C(F)(F)F)CC2)n1 ZINC000822614806 606163411 /nfs/dbraw/zinc/16/34/11/606163411.db2.gz SPKPXQPAICRWGM-UHFFFAOYSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2CCC(C(F)(F)F)CC2)n1 ZINC000822614806 606163412 /nfs/dbraw/zinc/16/34/12/606163412.db2.gz SPKPXQPAICRWGM-UHFFFAOYSA-N -1 1 372.355 2.090 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000822608682 606166832 /nfs/dbraw/zinc/16/68/32/606166832.db2.gz GXYNOBLOTBGWNA-CQSZACIVSA-N -1 1 366.429 2.087 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000822608682 606166834 /nfs/dbraw/zinc/16/68/34/606166834.db2.gz GXYNOBLOTBGWNA-CQSZACIVSA-N -1 1 366.429 2.087 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000822609631 606170366 /nfs/dbraw/zinc/17/03/66/606170366.db2.gz SMPIXIJDMVTJPW-NSHDSACASA-N -1 1 372.820 2.275 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000822609631 606170367 /nfs/dbraw/zinc/17/03/67/606170367.db2.gz SMPIXIJDMVTJPW-NSHDSACASA-N -1 1 372.820 2.275 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2noc(-c3ccccc3)n2)c2ccccc21 ZINC000823658046 606172631 /nfs/dbraw/zinc/17/26/31/606172631.db2.gz YXXSFLAUPWNVBY-UHFFFAOYSA-N -1 1 371.360 2.280 20 0 FEADMM CCc1ccc(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821476245 606194166 /nfs/dbraw/zinc/19/41/66/606194166.db2.gz JUBDFVVCKVWHEQ-UHFFFAOYSA-N -1 1 368.445 2.262 20 0 FEADMM CCc1ccc(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821476245 606194168 /nfs/dbraw/zinc/19/41/68/606194168.db2.gz JUBDFVVCKVWHEQ-UHFFFAOYSA-N -1 1 368.445 2.262 20 0 FEADMM Clc1nsc(N2CCC(OC[C@H]3CCCO3)CC2)c1-c1nnn[n-]1 ZINC000822591599 606231711 /nfs/dbraw/zinc/23/17/11/606231711.db2.gz WOOGPBRDKUKRQY-SNVBAGLBSA-N -1 1 370.866 2.141 20 0 FEADMM Clc1nsc(N2CCC(OC[C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC000822591599 606231712 /nfs/dbraw/zinc/23/17/12/606231712.db2.gz WOOGPBRDKUKRQY-SNVBAGLBSA-N -1 1 370.866 2.141 20 0 FEADMM CCc1ccc(OCC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1 ZINC000821487524 606236878 /nfs/dbraw/zinc/23/68/78/606236878.db2.gz VSCPMCSCVDDJJB-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM CCc1ccc(OCC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821487524 606236880 /nfs/dbraw/zinc/23/68/80/606236880.db2.gz VSCPMCSCVDDJJB-UHFFFAOYSA-N -1 1 358.427 2.236 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@@H](C)Oc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000822531348 606238966 /nfs/dbraw/zinc/23/89/66/606238966.db2.gz YUZNJXVOYSCKMT-SECBINFHSA-N -1 1 362.390 2.201 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@@H](C)Oc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000822531348 606238968 /nfs/dbraw/zinc/23/89/68/606238968.db2.gz YUZNJXVOYSCKMT-SECBINFHSA-N -1 1 362.390 2.201 20 0 FEADMM CCCn1nccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810151679 674534752 /nfs/dbraw/zinc/53/47/52/674534752.db2.gz FCDGEOUJXXHYJC-LLVKDONJSA-N -1 1 361.368 2.216 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)Cn1cccn1 ZINC000822540401 606411339 /nfs/dbraw/zinc/41/13/39/606411339.db2.gz AHDSJUKJAQIBQK-LLVKDONJSA-N -1 1 367.369 2.001 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)Cn1cccn1 ZINC000822540401 606411341 /nfs/dbraw/zinc/41/13/41/606411341.db2.gz AHDSJUKJAQIBQK-LLVKDONJSA-N -1 1 367.369 2.001 20 0 FEADMM CCOC(=O)c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000821343842 606429416 /nfs/dbraw/zinc/42/94/16/606429416.db2.gz VRLYFIGCFXSHTL-UHFFFAOYSA-N -1 1 354.779 2.358 20 0 FEADMM CCOC(=O)c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000821343842 606429418 /nfs/dbraw/zinc/42/94/18/606429418.db2.gz VRLYFIGCFXSHTL-UHFFFAOYSA-N -1 1 354.779 2.358 20 0 FEADMM Clc1ccc(N2CCC(c3nncn3C3CC3)CC2)nc1-c1nnn[n-]1 ZINC000822573992 606481030 /nfs/dbraw/zinc/48/10/30/606481030.db2.gz MPMHBSAIJXLOQQ-UHFFFAOYSA-N -1 1 371.836 2.226 20 0 FEADMM Clc1ccc(N2CCC(c3nncn3C3CC3)CC2)nc1-c1nn[n-]n1 ZINC000822573992 606481032 /nfs/dbraw/zinc/48/10/32/606481032.db2.gz MPMHBSAIJXLOQQ-UHFFFAOYSA-N -1 1 371.836 2.226 20 0 FEADMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822293822 606492512 /nfs/dbraw/zinc/49/25/12/606492512.db2.gz MSMVYTKOKLSBQY-UHFFFAOYSA-N -1 1 370.438 2.256 20 0 FEADMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822293822 606492514 /nfs/dbraw/zinc/49/25/14/606492514.db2.gz MSMVYTKOKLSBQY-UHFFFAOYSA-N -1 1 370.438 2.256 20 0 FEADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821073434 606527942 /nfs/dbraw/zinc/52/79/42/606527942.db2.gz ZWQWEXJOXVCABN-HUUCEWRRSA-N -1 1 358.446 2.318 20 0 FEADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821073434 606527943 /nfs/dbraw/zinc/52/79/43/606527943.db2.gz ZWQWEXJOXVCABN-HUUCEWRRSA-N -1 1 358.446 2.318 20 0 FEADMM CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821330700 606538130 /nfs/dbraw/zinc/53/81/30/606538130.db2.gz OWEFOWKGMICXJN-UHFFFAOYSA-N -1 1 371.422 2.134 20 0 FEADMM CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821330700 606538133 /nfs/dbraw/zinc/53/81/33/606538133.db2.gz OWEFOWKGMICXJN-UHFFFAOYSA-N -1 1 371.422 2.134 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000823483990 606545262 /nfs/dbraw/zinc/54/52/62/606545262.db2.gz RGKRRVUIUMDCQT-ZDUSSCGKSA-N -1 1 355.423 2.012 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000823483990 606545264 /nfs/dbraw/zinc/54/52/64/606545264.db2.gz RGKRRVUIUMDCQT-ZDUSSCGKSA-N -1 1 355.423 2.012 20 0 FEADMM COC(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000821664764 606547107 /nfs/dbraw/zinc/54/71/07/606547107.db2.gz IKNPUAFFWJMIMR-UHFFFAOYSA-N -1 1 362.346 2.498 20 0 FEADMM COC(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000821664764 606547109 /nfs/dbraw/zinc/54/71/09/606547109.db2.gz IKNPUAFFWJMIMR-UHFFFAOYSA-N -1 1 362.346 2.498 20 0 FEADMM COc1ccccc1OCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821903686 606552471 /nfs/dbraw/zinc/55/24/71/606552471.db2.gz KQEPXOYAESAYHZ-UHFFFAOYSA-N -1 1 359.411 2.136 20 0 FEADMM COc1ccccc1OCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821903686 606552474 /nfs/dbraw/zinc/55/24/74/606552474.db2.gz KQEPXOYAESAYHZ-UHFFFAOYSA-N -1 1 359.411 2.136 20 0 FEADMM CCOC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821319564 606574364 /nfs/dbraw/zinc/57/43/64/606574364.db2.gz DQNDXFJMSXCMLM-GFCCVEGCSA-N -1 1 371.422 2.005 20 0 FEADMM CCOC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821319564 606574366 /nfs/dbraw/zinc/57/43/66/606574366.db2.gz DQNDXFJMSXCMLM-GFCCVEGCSA-N -1 1 371.422 2.005 20 0 FEADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000823103758 606592031 /nfs/dbraw/zinc/59/20/31/606592031.db2.gz KXAXBQXTKSXYIG-UHFFFAOYSA-N -1 1 361.365 2.144 20 0 FEADMM Cc1nc2sccn2c1CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822467153 606594723 /nfs/dbraw/zinc/59/47/23/606594723.db2.gz IPRVWXVFFCGVDT-UHFFFAOYSA-N -1 1 359.440 2.218 20 0 FEADMM Cc1nc2sccn2c1CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822467153 606594725 /nfs/dbraw/zinc/59/47/25/606594725.db2.gz IPRVWXVFFCGVDT-UHFFFAOYSA-N -1 1 359.440 2.218 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820562642 606596491 /nfs/dbraw/zinc/59/64/91/606596491.db2.gz IABQXYVITGAMSS-SECBINFHSA-N -1 1 360.809 2.479 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820562642 606596492 /nfs/dbraw/zinc/59/64/92/606596492.db2.gz IABQXYVITGAMSS-SECBINFHSA-N -1 1 360.809 2.479 20 0 FEADMM CC[S@@](=O)CCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000810377118 674542506 /nfs/dbraw/zinc/54/25/06/674542506.db2.gz OGQZESYBIXCFHL-OAQYLSRUSA-N -1 1 371.256 2.201 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823435897 606648593 /nfs/dbraw/zinc/64/85/93/606648593.db2.gz CWSOPPUBXWTZMC-RYUDHWBXSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823435897 606648594 /nfs/dbraw/zinc/64/85/94/606648594.db2.gz CWSOPPUBXWTZMC-RYUDHWBXSA-N -1 1 357.320 2.387 20 0 FEADMM Cc1cccc(C)c1OCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822299207 606652844 /nfs/dbraw/zinc/65/28/44/606652844.db2.gz BJXVEIOTZSUJPL-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM Cc1cccc(C)c1OCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822299207 606652845 /nfs/dbraw/zinc/65/28/45/606652845.db2.gz BJXVEIOTZSUJPL-UHFFFAOYSA-N -1 1 353.382 2.391 20 0 FEADMM CSc1ccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821983458 606653512 /nfs/dbraw/zinc/65/35/12/606653512.db2.gz HXVPHYBAPMLCBA-NSHDSACASA-N -1 1 371.422 2.494 20 0 FEADMM CSc1ccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821983458 606653513 /nfs/dbraw/zinc/65/35/13/606653513.db2.gz HXVPHYBAPMLCBA-NSHDSACASA-N -1 1 371.422 2.494 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@]2(C)CCCO2)c1-c1nn[n-]n1 ZINC000821988631 606691497 /nfs/dbraw/zinc/69/14/97/606691497.db2.gz FVUPLBHUQSYLIM-KRWDZBQOSA-N -1 1 374.470 2.160 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCCS1 ZINC000822541277 606810041 /nfs/dbraw/zinc/81/00/41/606810041.db2.gz MWZMVFODFIERHN-LLVKDONJSA-N -1 1 358.427 2.184 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCCS1 ZINC000822541277 606810043 /nfs/dbraw/zinc/81/00/43/606810043.db2.gz MWZMVFODFIERHN-LLVKDONJSA-N -1 1 358.427 2.184 20 0 FEADMM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810589993 674551958 /nfs/dbraw/zinc/55/19/58/674551958.db2.gz ARSRBBBFRCWBKM-CXAGYDPISA-N -1 1 356.463 2.406 20 0 FEADMM CCc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821476958 607109328 /nfs/dbraw/zinc/10/93/28/607109328.db2.gz WQYDVYQAOZOZNG-UHFFFAOYSA-N -1 1 356.411 2.487 20 0 FEADMM CCc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821476958 607109329 /nfs/dbraw/zinc/10/93/29/607109329.db2.gz WQYDVYQAOZOZNG-UHFFFAOYSA-N -1 1 356.411 2.487 20 0 FEADMM COc1nc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc2ccccc21 ZINC000821911117 607109385 /nfs/dbraw/zinc/10/93/85/607109385.db2.gz MZKRVZCCWDWLQU-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM COc1nc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc2ccccc21 ZINC000821911117 607109387 /nfs/dbraw/zinc/10/93/87/607109387.db2.gz MZKRVZCCWDWLQU-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(CCCF)c2ccc(Br)cc12 ZINC000823657936 607168793 /nfs/dbraw/zinc/16/87/93/607168793.db2.gz XAUVLOFLCRMBAJ-UHFFFAOYSA-N -1 1 352.167 2.304 20 0 FEADMM Cc1cc(Cl)ncc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826267729 607812181 /nfs/dbraw/zinc/81/21/81/607812181.db2.gz STJBCNSBNFGEDO-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM Cc1cc(Cl)ncc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826267729 607812182 /nfs/dbraw/zinc/81/21/82/607812182.db2.gz STJBCNSBNFGEDO-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825212611 607904647 /nfs/dbraw/zinc/90/46/47/607904647.db2.gz SVDNKFJKOCWELH-BDAKNGLRSA-N -1 1 355.855 2.036 20 0 FEADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825212611 607904648 /nfs/dbraw/zinc/90/46/48/607904648.db2.gz SVDNKFJKOCWELH-BDAKNGLRSA-N -1 1 355.855 2.036 20 0 FEADMM CC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825133099 607912395 /nfs/dbraw/zinc/91/23/95/607912395.db2.gz JCFDBMANDACMOZ-QWHCGFSZSA-N -1 1 370.413 2.246 20 0 FEADMM CC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825133099 607912396 /nfs/dbraw/zinc/91/23/96/607912396.db2.gz JCFDBMANDACMOZ-QWHCGFSZSA-N -1 1 370.413 2.246 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nccc(C)n1 ZINC000826308527 607914695 /nfs/dbraw/zinc/91/46/95/607914695.db2.gz DFBVEJGNKXDEPG-UHFFFAOYSA-N -1 1 365.353 2.014 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1nccc(C)n1 ZINC000826308527 607914696 /nfs/dbraw/zinc/91/46/96/607914696.db2.gz DFBVEJGNKXDEPG-UHFFFAOYSA-N -1 1 365.353 2.014 20 0 FEADMM O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826507213 607936821 /nfs/dbraw/zinc/93/68/21/607936821.db2.gz KKZVBLMFNAYISP-YPMHNXCESA-N -1 1 360.780 2.367 20 0 FEADMM O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826507213 607936822 /nfs/dbraw/zinc/93/68/22/607936822.db2.gz KKZVBLMFNAYISP-YPMHNXCESA-N -1 1 360.780 2.367 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000826425212 608013108 /nfs/dbraw/zinc/01/31/08/608013108.db2.gz UKQLRRLYCJDXQA-UHFFFAOYSA-N -1 1 371.710 2.374 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000826425212 608013109 /nfs/dbraw/zinc/01/31/09/608013109.db2.gz UKQLRRLYCJDXQA-UHFFFAOYSA-N -1 1 371.710 2.374 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000826341067 608077266 /nfs/dbraw/zinc/07/72/66/608077266.db2.gz VKLDLIHYHBKUDW-PWSUYJOCSA-N -1 1 357.370 2.283 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000826341067 608077267 /nfs/dbraw/zinc/07/72/67/608077267.db2.gz VKLDLIHYHBKUDW-PWSUYJOCSA-N -1 1 357.370 2.283 20 0 FEADMM O=S(=O)(NC12CCC(CC1)C2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488428 608124961 /nfs/dbraw/zinc/12/49/61/608124961.db2.gz PIEWWGFVPHISQY-UHFFFAOYSA-N -1 1 353.835 2.131 20 0 FEADMM O=S(=O)(NC12CCC(CC1)C2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488428 608124962 /nfs/dbraw/zinc/12/49/62/608124962.db2.gz PIEWWGFVPHISQY-UHFFFAOYSA-N -1 1 353.835 2.131 20 0 FEADMM CCOC(=O)COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825517754 608134390 /nfs/dbraw/zinc/13/43/90/608134390.db2.gz LJGWIIZBLVPEOA-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM CCOC(=O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825517754 608134391 /nfs/dbraw/zinc/13/43/91/608134391.db2.gz LJGWIIZBLVPEOA-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM Clc1nsc(Nc2cnn(C[C@@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000826354869 608177601 /nfs/dbraw/zinc/17/76/01/608177601.db2.gz YVGSLFCYHZELBB-QMMMGPOBSA-N -1 1 352.811 2.096 20 0 FEADMM Clc1nsc(Nc2cnn(C[C@@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000826354869 608177602 /nfs/dbraw/zinc/17/76/02/608177602.db2.gz YVGSLFCYHZELBB-QMMMGPOBSA-N -1 1 352.811 2.096 20 0 FEADMM C[S@@](=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826224794 608199828 /nfs/dbraw/zinc/19/98/28/608199828.db2.gz LSYLXILEONFHAB-HSZRJFAPSA-N -1 1 351.388 2.057 20 0 FEADMM C[S@@](=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826224794 608199830 /nfs/dbraw/zinc/19/98/30/608199830.db2.gz LSYLXILEONFHAB-HSZRJFAPSA-N -1 1 351.388 2.057 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc2n[nH]cc21 ZINC000826279856 608267835 /nfs/dbraw/zinc/26/78/35/608267835.db2.gz FDYVDPHSPGNSNG-UHFFFAOYSA-N -1 1 369.410 2.161 20 0 FEADMM c1cc(N2CCCCC2)ccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826517123 608399536 /nfs/dbraw/zinc/39/95/36/608399536.db2.gz RMDCMDSECGXROS-UHFFFAOYSA-N -1 1 350.430 2.302 20 0 FEADMM c1cc(N2CCCCC2)ccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826517123 608399537 /nfs/dbraw/zinc/39/95/37/608399537.db2.gz RMDCMDSECGXROS-UHFFFAOYSA-N -1 1 350.430 2.302 20 0 FEADMM Brc1cccc([C@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000823832911 608409123 /nfs/dbraw/zinc/40/91/23/608409123.db2.gz YPWDGQNBTXHAOU-PWSUYJOCSA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000823832911 608409124 /nfs/dbraw/zinc/40/91/24/608409124.db2.gz YPWDGQNBTXHAOU-PWSUYJOCSA-N -1 1 358.203 2.387 20 0 FEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650554 608410024 /nfs/dbraw/zinc/41/00/24/608410024.db2.gz RNUQCOFCEAIVCT-VXGBXAGGSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650554 608410025 /nfs/dbraw/zinc/41/00/25/608410025.db2.gz RNUQCOFCEAIVCT-VXGBXAGGSA-N -1 1 374.449 2.104 20 0 FEADMM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC000824228190 608416114 /nfs/dbraw/zinc/41/61/14/608416114.db2.gz GEPZYCUBNQBKSK-GFCCVEGCSA-N -1 1 354.418 2.477 20 0 FEADMM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC000824228190 608416116 /nfs/dbraw/zinc/41/61/16/608416116.db2.gz GEPZYCUBNQBKSK-GFCCVEGCSA-N -1 1 354.418 2.477 20 0 FEADMM Clc1ccccc1N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826353305 608423561 /nfs/dbraw/zinc/42/35/61/608423561.db2.gz JXQWJHAPEXUTJZ-NSHDSACASA-N -1 1 356.821 2.391 20 0 FEADMM Clc1ccccc1N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826353305 608423563 /nfs/dbraw/zinc/42/35/63/608423563.db2.gz JXQWJHAPEXUTJZ-NSHDSACASA-N -1 1 356.821 2.391 20 0 FEADMM CC(C)OC(=O)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824304850 608425905 /nfs/dbraw/zinc/42/59/05/608425905.db2.gz GMTQUFPQSCYIQN-AWEZNQCLSA-N -1 1 353.386 2.152 20 0 FEADMM CC(C)OC(=O)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824304850 608425906 /nfs/dbraw/zinc/42/59/06/608425906.db2.gz GMTQUFPQSCYIQN-AWEZNQCLSA-N -1 1 353.386 2.152 20 0 FEADMM c1cc(-c2nnn[n-]2)oc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000826514951 608665556 /nfs/dbraw/zinc/66/55/56/608665556.db2.gz INDSNSVULFIFDR-ZDUSSCGKSA-N -1 1 354.418 2.115 20 0 FEADMM c1cc(-c2nn[n-]n2)oc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000826514951 608665559 /nfs/dbraw/zinc/66/55/59/608665559.db2.gz INDSNSVULFIFDR-ZDUSSCGKSA-N -1 1 354.418 2.115 20 0 FEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000825961177 608698091 /nfs/dbraw/zinc/69/80/91/608698091.db2.gz BNTDEIREMYWIAG-AWEZNQCLSA-N -1 1 372.816 2.350 20 0 FEADMM Clc1ccc(-c2nnc(Cn3ccnc3-c3nnn[n-]3)o2)c(Cl)c1 ZINC000826351392 608894942 /nfs/dbraw/zinc/89/49/42/608894942.db2.gz KTCTZNGSRXEUQT-UHFFFAOYSA-N -1 1 363.168 2.468 20 0 FEADMM Clc1ccc(-c2nnc(Cn3ccnc3-c3nn[n-]n3)o2)c(Cl)c1 ZINC000826351392 608894943 /nfs/dbraw/zinc/89/49/43/608894943.db2.gz KTCTZNGSRXEUQT-UHFFFAOYSA-N -1 1 363.168 2.468 20 0 FEADMM OCc1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826510344 609281040 /nfs/dbraw/zinc/28/10/40/609281040.db2.gz LSACAMPCDWLZKR-UHFFFAOYSA-N -1 1 365.372 2.296 20 0 FEADMM O=C(C[C@@H]1CCCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826404055 609289405 /nfs/dbraw/zinc/28/94/05/609289405.db2.gz MSHSQTAQEZWAKA-NSHDSACASA-N -1 1 371.376 2.089 20 0 FEADMM C/C(=C\C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000823943930 609291855 /nfs/dbraw/zinc/29/18/55/609291855.db2.gz VIYYOABAYRZCRR-MDZDMXLPSA-N -1 1 353.361 2.486 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N([C@@H](C)C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000826229897 609299016 /nfs/dbraw/zinc/29/90/16/609299016.db2.gz WCRWRFBEFHICGK-QMMMGPOBSA-N -1 1 360.443 2.092 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cc(Cl)c[nH]1 ZINC000826458115 609313603 /nfs/dbraw/zinc/31/36/03/609313603.db2.gz CXHYWQQTBNQZMA-UHFFFAOYSA-N -1 1 372.751 2.425 20 0 FEADMM C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@H]1C ZINC000824948755 609357893 /nfs/dbraw/zinc/35/78/93/609357893.db2.gz VQVCFPUBTOBQFV-QWRGUYRKSA-N -1 1 370.392 2.454 20 0 FEADMM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824948757 609358231 /nfs/dbraw/zinc/35/82/31/609358231.db2.gz VQVCFPUBTOBQFV-WDEREUQCSA-N -1 1 370.392 2.454 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825120265 609372010 /nfs/dbraw/zinc/37/20/10/609372010.db2.gz JBPCBPXTZMFXAL-LBPRGKRZSA-N -1 1 371.372 2.299 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825120265 609372012 /nfs/dbraw/zinc/37/20/12/609372012.db2.gz JBPCBPXTZMFXAL-LBPRGKRZSA-N -1 1 371.372 2.299 20 0 FEADMM CC[C@@H]1C[C@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825182586 609392671 /nfs/dbraw/zinc/39/26/71/609392671.db2.gz LCQPCZJJSGRBBC-VXGBXAGGSA-N -1 1 361.450 2.352 20 0 FEADMM CC[C@@H]1C[C@H](CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825182586 609392672 /nfs/dbraw/zinc/39/26/72/609392672.db2.gz LCQPCZJJSGRBBC-VXGBXAGGSA-N -1 1 361.450 2.352 20 0 FEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@H]2CCCN(C)C2=O)n1 ZINC000826261965 609417665 /nfs/dbraw/zinc/41/76/65/609417665.db2.gz AGCMEKGKEVXGJM-VIFPVBQESA-N -1 1 372.376 2.302 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1C ZINC000559961717 674561799 /nfs/dbraw/zinc/56/17/99/674561799.db2.gz HSVSNLOQYUUOGY-NSHDSACASA-N -1 1 357.398 2.359 20 0 FEADMM COCCc1nc(COC(=O)c2ccc(Br)c([O-])c2)no1 ZINC000811158272 674584226 /nfs/dbraw/zinc/58/42/26/674584226.db2.gz JWUIXEVEPTWTDF-UHFFFAOYSA-N -1 1 357.160 2.084 20 0 FEADMM O=C(N[C@H]1COc2ccccc2[C@H]1O)c1ccc(Br)c([O-])c1 ZINC000811570170 674614336 /nfs/dbraw/zinc/61/43/36/674614336.db2.gz FNUQOYOOZHYLLV-SWLSCSKDSA-N -1 1 364.195 2.379 20 0 FEADMM O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000811569146 674614385 /nfs/dbraw/zinc/61/43/85/674614385.db2.gz UQERRDGXXNCFQB-WFASDCNBSA-N -1 1 364.195 2.379 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cnn1C(C)C ZINC000812275196 674661105 /nfs/dbraw/zinc/66/11/05/674661105.db2.gz GDIPBEBJXBUUME-LBPRGKRZSA-N -1 1 360.380 2.303 20 0 FEADMM Cc1cnc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c([O-])c1 ZINC000561773771 674698094 /nfs/dbraw/zinc/69/80/94/674698094.db2.gz JKDLXPZZIARCHC-LBPRGKRZSA-N -1 1 369.190 2.461 20 0 FEADMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1c(C)onc1N ZINC000562018678 674716353 /nfs/dbraw/zinc/71/63/53/674716353.db2.gz VIKKNWYHTLRTJZ-QLFBSQMISA-N -1 1 365.455 2.195 20 0 FEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C2CC2)no1 ZINC000562406223 674752184 /nfs/dbraw/zinc/75/21/84/674752184.db2.gz HHGNJSLBHSKAEP-AWEZNQCLSA-N -1 1 361.345 2.399 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1F ZINC000644279006 677241170 /nfs/dbraw/zinc/24/11/70/677241170.db2.gz MAKUXNUJYBKOGG-QPUJVOFHSA-N -1 1 359.316 2.397 20 0 FEADMM CC[C@@H](C)CONC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000813826155 674783119 /nfs/dbraw/zinc/78/31/19/674783119.db2.gz MWOXHVGIXFNOKU-RHYQMDGZSA-N -1 1 353.385 2.451 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC000815200530 674930079 /nfs/dbraw/zinc/93/00/79/674930079.db2.gz JOOXQDIEMMQQFB-CHWSQXEVSA-N -1 1 351.451 2.122 20 0 FEADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CCCC(C)(C)C)(C(=O)OC)C1(C)C ZINC000563776400 674937942 /nfs/dbraw/zinc/93/79/42/674937942.db2.gz CWCTUNHHFGGLRB-DYVFJYSZSA-N -1 1 363.520 2.479 20 0 FEADMM Cc1cccc(-c2nc(CC(=O)N(C)C[C@@H](C)c3nn[n-]n3)cs2)c1 ZINC000564614937 675044257 /nfs/dbraw/zinc/04/42/57/675044257.db2.gz GOYMJWPVOCCWIH-GFCCVEGCSA-N -1 1 356.455 2.436 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000816536117 675063572 /nfs/dbraw/zinc/06/35/72/675063572.db2.gz MIDKAICUVQDDQX-UHFFFAOYSA-N -1 1 363.805 2.487 20 0 FEADMM COc1ccc(SCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000007451870 669969624 /nfs/dbraw/zinc/96/96/24/669969624.db2.gz CZNPACSPBDDFCN-UHFFFAOYSA-N -1 1 359.403 2.287 20 0 FEADMM CCC(Nc1ccc(Cl)cc1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009771615 669984660 /nfs/dbraw/zinc/98/46/60/669984660.db2.gz UGSRLQHTINXMDQ-SEYXRHQNSA-N -1 1 367.858 2.306 20 0 FEADMM Cc1cc(=O)[nH]c(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000816671493 675072138 /nfs/dbraw/zinc/07/21/38/675072138.db2.gz ZDPZSRWQCFEMOB-KWBADKCTSA-N -1 1 359.348 2.013 20 0 FEADMM Cc1c2c(nc(SCC(=O)N[N-]C(=O)c3cccs3)c1C#N)CCC2 ZINC000024851521 670057656 /nfs/dbraw/zinc/05/76/56/670057656.db2.gz PDNQOBIIGVZNIG-UHFFFAOYSA-N -1 1 372.475 2.365 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000032590923 670130335 /nfs/dbraw/zinc/13/03/35/670130335.db2.gz SZLKQVWFISCPJD-UHFFFAOYSA-N -1 1 368.386 2.220 20 0 FEADMM COc1ccccc1C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000042776377 670168418 /nfs/dbraw/zinc/16/84/18/670168418.db2.gz MUDYNNJZGRTMGB-UHFFFAOYSA-N -1 1 369.420 2.168 20 0 FEADMM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000048513083 670265704 /nfs/dbraw/zinc/26/57/04/670265704.db2.gz VREXXUTYESRQSX-UHFFFAOYSA-N -1 1 365.392 2.105 20 0 FEADMM Cc1cnn(CC(=O)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)c1 ZINC000050026300 670281495 /nfs/dbraw/zinc/28/14/95/670281495.db2.gz WNRJAXLQNRLCCS-UHFFFAOYSA-N -1 1 355.423 2.085 20 0 FEADMM CNC(=O)CC1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000565104676 675094718 /nfs/dbraw/zinc/09/47/18/675094718.db2.gz 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356.459 2.320 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1CC[C@H]1CCOC1=O)C(F)(F)F ZINC000817293199 675118516 /nfs/dbraw/zinc/11/85/16/675118516.db2.gz KUIDPLIVQZBGJO-WCQYABFASA-N -1 1 356.344 2.049 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000079892224 670612294 /nfs/dbraw/zinc/61/22/94/670612294.db2.gz WWDADORYKBWRTE-WRWORJQWSA-N -1 1 360.266 2.387 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000569826799 670619346 /nfs/dbraw/zinc/61/93/46/670619346.db2.gz QUZLYTVFSDOALE-QWRGUYRKSA-N -1 1 369.867 2.113 20 0 FEADMM Cc1nc(CCNC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cs1 ZINC000083184950 670656552 /nfs/dbraw/zinc/65/65/52/670656552.db2.gz YFQPRQKVQQHESB-UHFFFAOYSA-N -1 1 356.810 2.431 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1[O-] ZINC000570139709 670666450 /nfs/dbraw/zinc/66/64/50/670666450.db2.gz OATDIQLMTFRZSY-ZYHUDNBSSA-N -1 1 353.216 2.038 20 0 FEADMM COCCc1nc2cc([N-]S(=O)(=O)C[C@@H](OC)C3CC3)ccc2o1 ZINC000570162014 670670821 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CC(C)(C)[C@H]([N-]S(=O)(=O)CCC1(C)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000573020028 671072035 /nfs/dbraw/zinc/07/20/35/671072035.db2.gz WATUCWYTQPVUOX-SNVBAGLBSA-N -1 1 368.463 2.052 20 0 FEADMM O=C1C[C@H](Oc2ccccc2[N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)N1 ZINC000573792248 671164996 /nfs/dbraw/zinc/16/49/96/671164996.db2.gz DVQWVPSIEJTIRT-XCRHUMRWSA-N -1 1 358.419 2.209 20 0 FEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(Cl)cc1C(C)=O ZINC000817953207 675187805 /nfs/dbraw/zinc/18/78/05/675187805.db2.gz XFBNRNIRVWEQSC-UHFFFAOYSA-N -1 1 372.786 2.210 20 0 FEADMM COC(=O)CSCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000576005534 671337475 /nfs/dbraw/zinc/33/74/75/671337475.db2.gz XTNYVPXWBUXCSV-UHFFFAOYSA-N -1 1 354.815 2.230 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000576399882 671366298 /nfs/dbraw/zinc/36/62/98/671366298.db2.gz VHZNGSWXRFMELD-LSDHHAIUSA-N -1 1 350.484 2.388 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)N(C)C)c1)C1CC1 ZINC000576635862 671382999 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CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000579364947 671730879 /nfs/dbraw/zinc/73/08/79/671730879.db2.gz GMYTZRGJLGYJKN-OLZOCXBDSA-N -1 1 351.790 2.454 20 0 FEADMM O=C(CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)NC1CCCCCC1 ZINC000580932220 671847249 /nfs/dbraw/zinc/84/72/49/671847249.db2.gz PHBVZSBFCYKPIT-UHFFFAOYSA-N -1 1 362.455 2.084 20 0 FEADMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)NC1CCCCCC1 ZINC000580932220 671847252 /nfs/dbraw/zinc/84/72/52/671847252.db2.gz PHBVZSBFCYKPIT-UHFFFAOYSA-N -1 1 362.455 2.084 20 0 FEADMM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121604579 671953434 /nfs/dbraw/zinc/95/34/34/671953434.db2.gz JTFLLNRBAZFIPM-UWVGGRQHSA-N -1 1 359.220 2.462 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)o1 ZINC000121728230 671955711 /nfs/dbraw/zinc/95/57/11/671955711.db2.gz SLVGNVJPLLCHMM-OCCSQVGLSA-N -1 1 370.471 2.044 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc3ccccc3s2)[C@@]12CCCO2 ZINC000582059780 671963454 /nfs/dbraw/zinc/96/34/54/671963454.db2.gz DPWDHCLKPCMWRO-FMKPAKJESA-N -1 1 368.480 2.301 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCO1 ZINC000123956853 671988142 /nfs/dbraw/zinc/98/81/42/671988142.db2.gz VAAHTLAKZGIYSY-LLVKDONJSA-N -1 1 369.668 2.345 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCOCC2)n[n-]1 ZINC000582673044 672024362 /nfs/dbraw/zinc/02/43/62/672024362.db2.gz WUGGACIXMWTWHZ-CHWSQXEVSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCOCC2)[n-]1 ZINC000582673044 672024366 /nfs/dbraw/zinc/02/43/66/672024366.db2.gz WUGGACIXMWTWHZ-CHWSQXEVSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2CCCOCC2)n1 ZINC000582673044 672024367 /nfs/dbraw/zinc/02/43/67/672024367.db2.gz WUGGACIXMWTWHZ-CHWSQXEVSA-N -1 1 352.435 2.002 20 0 FEADMM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000582737215 672029777 /nfs/dbraw/zinc/02/97/77/672029777.db2.gz VLNXVARVZYQTIX-VXGBXAGGSA-N -1 1 358.410 2.177 20 0 FEADMM CCCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1cccc(C)c1 ZINC000582877505 672042166 /nfs/dbraw/zinc/04/21/66/672042166.db2.gz PLULIOCAWQZMNZ-UHFFFAOYSA-N -1 1 365.455 2.438 20 0 FEADMM Cc1ccsc1CCCC(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000131130543 672084648 /nfs/dbraw/zinc/08/46/48/672084648.db2.gz HLGCSGFJWOXWPI-UHFFFAOYSA-N -1 1 360.439 2.205 20 0 FEADMM CC(C)(CNC(=O)Cc1sc(N)nc1[O-])Cc1cccc(Cl)c1 ZINC000132112278 672094613 /nfs/dbraw/zinc/09/46/13/672094613.db2.gz WRUICSLLODNIHC-LBPRGKRZSA-N -1 1 353.875 2.372 20 0 FEADMM C[C@](N)(C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000583444864 672095646 /nfs/dbraw/zinc/09/56/46/672095646.db2.gz OHUWSGHDXSOEEQ-YYXKQKMLSA-N -1 1 369.259 2.383 20 0 FEADMM O=C([O-])C1(O)CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000584058023 672151965 /nfs/dbraw/zinc/15/19/65/672151965.db2.gz FTKNZILZAYGCIT-UHFFFAOYSA-N -1 1 365.227 2.409 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1Cl ZINC000153782620 672204470 /nfs/dbraw/zinc/20/44/70/672204470.db2.gz UVOHFOWKZYYOLL-NSHDSACASA-N -1 1 364.254 2.393 20 0 FEADMM O=S(=O)([N-]c1cccc(CN2CCOCC2)c1)c1cccc(F)c1 ZINC000153918772 672207103 /nfs/dbraw/zinc/20/71/03/672207103.db2.gz HAYGRHPARVNVHL-UHFFFAOYSA-N -1 1 350.415 2.459 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1C)c1ccccc1F ZINC000610702115 675990103 /nfs/dbraw/zinc/99/01/03/675990103.db2.gz HSFOYWBCHXZHJR-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000156334774 672245138 /nfs/dbraw/zinc/24/51/38/672245138.db2.gz PENDNCDHPUPRAS-SSDOTTSWSA-N -1 1 370.228 2.368 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C(=O)OC)c1ccc(C)o1 ZINC000611024654 676012312 /nfs/dbraw/zinc/01/23/12/676012312.db2.gz IEXXRRHKVFMOEV-CYBMUJFWSA-N -1 1 367.423 2.349 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C12CCCCC2 ZINC000611082953 676015708 /nfs/dbraw/zinc/01/57/08/676015708.db2.gz XLPPYJMLKGRHFI-ZIAGYGMSSA-N -1 1 371.455 2.472 20 0 FEADMM C[C@@](O)(CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000182984294 672457828 /nfs/dbraw/zinc/45/78/28/672457828.db2.gz OVCGFVIHQSGYDH-QGZVFWFLSA-N -1 1 366.414 2.434 20 0 FEADMM O=C(c1c([O-])cc(F)cc1F)N1CCC(CCN2CCOCC2)CC1 ZINC000588216376 672458706 /nfs/dbraw/zinc/45/87/06/672458706.db2.gz BWFMFQCJEAKWBQ-UHFFFAOYSA-N -1 1 354.397 2.245 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(F)c(Br)c(F)c2)n[nH]1 ZINC000183774530 672480770 /nfs/dbraw/zinc/48/07/70/672480770.db2.gz USNQZBXZTXYAJM-UHFFFAOYSA-N -1 1 374.145 2.225 20 0 FEADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000588833588 672484630 /nfs/dbraw/zinc/48/46/30/672484630.db2.gz QYOBPRXBQJSDMG-GFCCVEGCSA-N -1 1 359.411 2.171 20 0 FEADMM Cc1cc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)ccc1C(N)=O ZINC000184991666 672515128 /nfs/dbraw/zinc/51/51/28/672515128.db2.gz MDCTZBJPCDONDF-UHFFFAOYSA-N -1 1 364.764 2.353 20 0 FEADMM C[C@](O)(CNC(=O)c1nnc2ccccc2c1O)c1cccc(Cl)c1 ZINC000185128070 672520450 /nfs/dbraw/zinc/52/04/50/672520450.db2.gz BFRAXNCSAIQNEU-SFHVURJKSA-N -1 1 357.797 2.214 20 0 FEADMM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185693016 672532278 /nfs/dbraw/zinc/53/22/78/672532278.db2.gz IEEKPRZQBQZANK-CYBMUJFWSA-N -1 1 359.806 2.500 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)sc2C)c(C)c1F ZINC000679923229 672537548 /nfs/dbraw/zinc/53/75/48/672537548.db2.gz IRSNUSJHBDZFHZ-UHFFFAOYSA-N -1 1 358.416 2.412 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnc(C3CC3)nc2)CCCCC1 ZINC000589963324 672550570 /nfs/dbraw/zinc/55/05/70/672550570.db2.gz WIJWIVISRYVKRN-UHFFFAOYSA-N -1 1 353.444 2.219 20 0 FEADMM O=C(/C=C/c1ccc[nH]1)N[N-]C(=O)c1cc(F)ccc1Br ZINC000187755496 672576663 /nfs/dbraw/zinc/57/66/63/672576663.db2.gz HFQPEYPESNVEMI-GQCTYLIASA-N -1 1 352.163 2.391 20 0 FEADMM COc1cc(C)[n-]c(=NNC(=O)Cc2ccc(F)cc2Br)n1 ZINC000188182525 672585340 /nfs/dbraw/zinc/58/53/40/672585340.db2.gz OAXLVPKIJRBMQP-UHFFFAOYSA-N -1 1 369.194 2.381 20 0 FEADMM CCOc1cc(C(=O)N2CCC(S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000680817580 672603552 /nfs/dbraw/zinc/60/35/52/672603552.db2.gz DKVRUTFDMDWRQE-UHFFFAOYSA-N -1 1 361.847 2.094 20 0 FEADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000681039979 672624157 /nfs/dbraw/zinc/62/41/57/672624157.db2.gz VUDPFGVKKUYUMR-NSHDSACASA-N -1 1 366.414 2.273 20 0 FEADMM COc1cc[n-]c(=NNC(=O)Nc2ccc(Cl)cc2-n2cccn2)n1 ZINC000189951991 672628112 /nfs/dbraw/zinc/62/81/12/672628112.db2.gz BSSVXUFQEJFLAZ-UHFFFAOYSA-N -1 1 359.777 2.473 20 0 FEADMM O=C(CNC(=O)c1ccc(F)cc1)Nc1nc(Br)ccc1[O-] ZINC000189980781 672628399 /nfs/dbraw/zinc/62/83/99/672628399.db2.gz BJOJKOSJWAZCPA-UHFFFAOYSA-N -1 1 368.162 2.057 20 0 FEADMM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1[nH]nc2c1CCCCC2 ZINC000190753766 672648607 /nfs/dbraw/zinc/64/86/07/672648607.db2.gz QYJANAOEUROWBE-UHFFFAOYSA-N -1 1 353.831 2.451 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000592074712 672748416 /nfs/dbraw/zinc/74/84/16/672748416.db2.gz MINDQEBGMNLJMW-HOTGVXAUSA-N -1 1 371.499 2.141 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)N1CCC[C@@H](C)C1 ZINC000194154929 672749746 /nfs/dbraw/zinc/74/97/46/672749746.db2.gz HOKVWCOOQSYCBY-NEPJUHHUSA-N -1 1 374.890 2.437 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000592100387 672756179 /nfs/dbraw/zinc/75/61/79/672756179.db2.gz QSCKVIUSUGSHAG-JTQLQIEISA-N -1 1 368.377 2.499 20 0 FEADMM O=C([N-]c1nn2cnnc2s1)c1cc(Br)c(F)cc1F ZINC000683262484 672828594 /nfs/dbraw/zinc/82/85/94/672828594.db2.gz UQALMGFPYKJMPM-UHFFFAOYSA-N -1 1 360.143 2.479 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)c(F)c1 ZINC000684608728 672949586 /nfs/dbraw/zinc/94/95/86/672949586.db2.gz HZNJZHZQAQSUCB-JTQLQIEISA-N -1 1 355.391 2.252 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)c(Br)n1C ZINC000311560213 673027445 /nfs/dbraw/zinc/02/74/45/673027445.db2.gz XYUBCBNFKARVPM-CZMCAQCFSA-N -1 1 350.282 2.348 20 0 FEADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@H]1O ZINC000685810131 673045598 /nfs/dbraw/zinc/04/55/98/673045598.db2.gz CHPLVPTWUCVSME-PRHODGIISA-N -1 1 351.200 2.156 20 0 FEADMM Cc1nc(-c2cccs2)sc1C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000324843302 673047577 /nfs/dbraw/zinc/04/75/77/673047577.db2.gz CNWHXIAABGOKON-UHFFFAOYSA-N -1 1 365.480 2.413 20 0 FEADMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)OC ZINC000594464502 673077075 /nfs/dbraw/zinc/07/70/75/673077075.db2.gz PMACXJMOYROOCB-SNVBAGLBSA-N -1 1 367.826 2.359 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)o1 ZINC000594475874 673082157 /nfs/dbraw/zinc/08/21/57/673082157.db2.gz YJTWHABMJMHLMT-IUODEOHRSA-N -1 1 357.428 2.082 20 0 FEADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1cc(I)ccc1[O-] ZINC000724129889 673087876 /nfs/dbraw/zinc/08/78/76/673087876.db2.gz RSPCGXNAMPSYOF-ZYHUDNBSSA-N -1 1 361.179 2.246 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc3c(c2)-c2ccccc2C3)n1 ZINC000725894181 673095957 /nfs/dbraw/zinc/09/59/57/673095957.db2.gz SZRTVTKKHIXOMO-UHFFFAOYSA-N -1 1 354.391 2.032 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)[n-]1 ZINC000725894181 673095959 /nfs/dbraw/zinc/09/59/59/673095959.db2.gz SZRTVTKKHIXOMO-UHFFFAOYSA-N -1 1 354.391 2.032 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cncc(C(=O)OC(C)(C)C)c1)C(C)C ZINC000594581882 673102673 /nfs/dbraw/zinc/10/26/73/673102673.db2.gz HZGCQQWZDLQRMF-CQSZACIVSA-N -1 1 358.460 2.450 20 0 FEADMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000594744894 673127458 /nfs/dbraw/zinc/12/74/58/673127458.db2.gz DFDYQGSORZRMOG-ZDUSSCGKSA-N -1 1 351.827 2.486 20 0 FEADMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cc(F)c(Cl)cc1Cl ZINC000726869371 673144133 /nfs/dbraw/zinc/14/41/33/673144133.db2.gz QBZCHXPBCQYMTK-MRVPVSSYSA-N -1 1 374.199 2.250 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](N2CCOCC2)C1 ZINC000382512616 673156878 /nfs/dbraw/zinc/15/68/78/673156878.db2.gz OKELDPFTUUUBFB-CYBMUJFWSA-N -1 1 369.259 2.092 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C1CCCC1)c1sccc1Br ZINC000386135179 673157934 /nfs/dbraw/zinc/15/79/34/673157934.db2.gz PKBXAZANQHVLMI-JTQLQIEISA-N -1 1 354.291 2.340 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC)c2)cc1C ZINC000595301894 673219013 /nfs/dbraw/zinc/21/90/13/673219013.db2.gz ITMUNVUUYPSZPY-NSHDSACASA-N -1 1 353.396 2.423 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCCc2cccc(F)c2)cc1C ZINC000595312939 673221549 /nfs/dbraw/zinc/22/15/49/673221549.db2.gz PXWRNGXAIRIOGF-UHFFFAOYSA-N -1 1 355.387 2.425 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](OC)c2ccccc2)cc1C ZINC000595317286 673222619 /nfs/dbraw/zinc/22/26/19/673222619.db2.gz PFHLYASDILYPRE-CYBMUJFWSA-N -1 1 353.396 2.041 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)CC(=O)c2ccccc2)cc1C ZINC000595323351 673224324 /nfs/dbraw/zinc/22/43/24/673224324.db2.gz MQRAOFAZVKIECN-GFCCVEGCSA-N -1 1 365.407 2.314 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cnc(C3CC3)s2)cc1 ZINC000729770767 673247588 /nfs/dbraw/zinc/24/75/88/673247588.db2.gz AATSEMGBSVBORB-UHFFFAOYSA-N -1 1 360.391 2.143 20 0 FEADMM Cc1c(F)c(Br)ccc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000613475750 676130654 /nfs/dbraw/zinc/13/06/54/676130654.db2.gz RRTYIWZGXBNCKI-ZETCQYMHSA-N -1 1 356.199 2.285 20 0 FEADMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000596029240 673350603 /nfs/dbraw/zinc/35/06/03/673350603.db2.gz WCGXICXNVUNEJZ-GFCCVEGCSA-N -1 1 372.491 2.101 20 0 FEADMM COC(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000732497136 673369145 /nfs/dbraw/zinc/36/91/45/673369145.db2.gz HNERPHFAYQQMEM-UHFFFAOYSA-N -1 1 363.391 2.126 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c([O-])c1 ZINC000536690087 673376380 /nfs/dbraw/zinc/37/63/80/673376380.db2.gz DOOZYHRQCUGKNK-UHFFFAOYSA-N -1 1 362.407 2.094 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000537646681 673399298 /nfs/dbraw/zinc/39/92/98/673399298.db2.gz HAUKXMFWFXUELE-CYBMUJFWSA-N -1 1 374.340 2.450 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000733272709 673406314 /nfs/dbraw/zinc/40/63/14/673406314.db2.gz DBMSCRUUBYJBGC-LBPRGKRZSA-N -1 1 368.220 2.037 20 0 FEADMM O=S(=O)([N-]Cc1nnc(-c2ccccc2)[nH]1)c1ccc(F)c(F)c1F ZINC000733314537 673408638 /nfs/dbraw/zinc/40/86/38/673408638.db2.gz PPWYCXIIMATPBH-UHFFFAOYSA-N -1 1 368.340 2.368 20 0 FEADMM O=C(NCCNC(=O)c1c(F)ccc([O-])c1F)c1ccc(Cl)cc1 ZINC000537976752 673415805 /nfs/dbraw/zinc/41/58/05/673415805.db2.gz HYHPQBWTPMPJHE-UHFFFAOYSA-N -1 1 354.740 2.484 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1=COCC1 ZINC000734127085 673453019 /nfs/dbraw/zinc/45/30/19/673453019.db2.gz LCYIJZCASMDVQN-UHFFFAOYSA-N -1 1 358.419 2.408 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc3ccccc3s2)o1 ZINC000734142280 673453489 /nfs/dbraw/zinc/45/34/89/673453489.db2.gz RSAAYUJQGJHKHA-VIFPVBQESA-N -1 1 365.436 2.288 20 0 FEADMM CCOc1ccc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000538951603 673468176 /nfs/dbraw/zinc/46/81/76/673468176.db2.gz JYZCPBYVMYBEAA-UHFFFAOYSA-N -1 1 364.423 2.010 20 0 FEADMM COc1ccc(O)c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000539151178 673476622 /nfs/dbraw/zinc/47/66/22/673476622.db2.gz FCLDGDOCFMRDPI-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539239309 673480485 /nfs/dbraw/zinc/48/04/85/673480485.db2.gz SLCGMVOIQFACOE-UHFFFAOYSA-N -1 1 355.437 2.037 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000597691359 673499563 /nfs/dbraw/zinc/49/95/63/673499563.db2.gz GMYAVBXIDMPZTD-SECBINFHSA-N -1 1 352.391 2.262 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1C ZINC000539795567 673506750 /nfs/dbraw/zinc/50/67/50/673506750.db2.gz XLPBPHVHNKAKMK-XHDPSFHLSA-N -1 1 363.439 2.188 20 0 FEADMM COc1ccc(OCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000540252485 673531571 /nfs/dbraw/zinc/53/15/71/673531571.db2.gz SKMBODFPLKBADA-UHFFFAOYSA-N -1 1 368.386 2.223 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccnc(C2CC2)n1 ZINC000540252990 673531667 /nfs/dbraw/zinc/53/16/67/673531667.db2.gz NFHAFYHKBHXLHR-UHFFFAOYSA-N -1 1 350.375 2.117 20 0 FEADMM COc1cc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)cc(Cl)c1[O-] ZINC000598152535 673541589 /nfs/dbraw/zinc/54/15/89/673541589.db2.gz HRZWMUKOHZTBED-KRWDZBQOSA-N -1 1 371.817 2.285 20 0 FEADMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc(I)c([O-])c1 ZINC000598301129 673557723 /nfs/dbraw/zinc/55/77/23/673557723.db2.gz AWNDQHOBAKHTFN-NEPJUHHUSA-N -1 1 373.190 2.030 20 0 FEADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc(I)ccc1[O-] ZINC000598306673 673558495 /nfs/dbraw/zinc/55/84/95/673558495.db2.gz KJKCPZYIEYIHDP-VXGBXAGGSA-N -1 1 373.190 2.030 20 0 FEADMM CCSC1(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000598334460 673560886 /nfs/dbraw/zinc/56/08/86/673560886.db2.gz XJJBOGARRXBTRE-UHFFFAOYSA-N -1 1 358.467 2.085 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000598391435 673565526 /nfs/dbraw/zinc/56/55/26/673565526.db2.gz CJNKAWAIXLAIAJ-ZJUUUORDSA-N -1 1 373.190 2.105 20 0 FEADMM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1cc(C(C)=O)cs1 ZINC000737856163 673584570 /nfs/dbraw/zinc/58/45/70/673584570.db2.gz UQRJBTYGRWPZRJ-CQSZACIVSA-N -1 1 352.456 2.352 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(O)cc1[O-] ZINC000542812982 673607885 /nfs/dbraw/zinc/60/78/85/673607885.db2.gz BFOWPWVFVQKYLG-UHFFFAOYSA-N -1 1 362.407 2.135 20 0 FEADMM COc1ncc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)c(C)n1 ZINC000543079322 673624288 /nfs/dbraw/zinc/62/42/88/673624288.db2.gz FSSOYXKGYJPKMX-UHFFFAOYSA-N -1 1 362.386 2.297 20 0 FEADMM COc1ncc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)c(C)n1 ZINC000543079322 673624289 /nfs/dbraw/zinc/62/42/89/673624289.db2.gz FSSOYXKGYJPKMX-UHFFFAOYSA-N -1 1 362.386 2.297 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)o1 ZINC000739368875 673631114 /nfs/dbraw/zinc/63/11/14/673631114.db2.gz FXNCFUNREYWMRX-LEWSCRJBSA-N -1 1 371.455 2.327 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000543292267 673637586 /nfs/dbraw/zinc/63/75/86/673637586.db2.gz DRTXLDQVHMNWSS-UHFFFAOYSA-N -1 1 362.821 2.236 20 0 FEADMM CCSCCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599299900 673655938 /nfs/dbraw/zinc/65/59/38/673655938.db2.gz PMUKFUYYQUSBRZ-UHFFFAOYSA-N -1 1 353.412 2.173 20 0 FEADMM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OC ZINC000599320329 673658492 /nfs/dbraw/zinc/65/84/92/673658492.db2.gz QNRRRBPMENJNNU-BXKDBHETSA-N -1 1 365.398 2.091 20 0 FEADMM COc1cc(NC(=O)NCCCCOC(C)C)ccc1[N-]S(C)(=O)=O ZINC000543967428 673680366 /nfs/dbraw/zinc/68/03/66/673680366.db2.gz IHCHMFLODDZCBL-UHFFFAOYSA-N -1 1 373.475 2.393 20 0 FEADMM CC(C)OC(=O)CSCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000741476544 673688156 /nfs/dbraw/zinc/68/81/56/673688156.db2.gz OSIWTRJSKHOLQT-UHFFFAOYSA-N -1 1 361.366 2.229 20 0 FEADMM COc1cc(NC(=O)[C@H](C)c2c(C)n[nH]c2C)ccc1[N-]S(C)(=O)=O ZINC000544198142 673697667 /nfs/dbraw/zinc/69/76/67/673697667.db2.gz MMWBRTQQIMOPPW-SECBINFHSA-N -1 1 366.443 2.149 20 0 FEADMM CC(C)N(Cc1nc(=O)n(C)[n-]1)Cc1cc(Br)ccc1F ZINC000544409007 673710724 /nfs/dbraw/zinc/71/07/24/673710724.db2.gz YDRRSXUVFXNHCG-UHFFFAOYSA-N -1 1 357.227 2.421 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C[C@H](C)C(F)(F)F)CC2)n1 ZINC000599831155 673721380 /nfs/dbraw/zinc/72/13/80/673721380.db2.gz OMOVACPONIOTGP-VIFPVBQESA-N -1 1 362.352 2.276 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000544631272 673722118 /nfs/dbraw/zinc/72/21/18/673722118.db2.gz RAWXYMBFXNRDBO-UHFFFAOYSA-N -1 1 363.317 2.382 20 0 FEADMM CS[C@H]1CC[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000742747450 673736803 /nfs/dbraw/zinc/73/68/03/673736803.db2.gz NLNCODRPCVCAQU-KGLIPLIRSA-N -1 1 358.467 2.495 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2nnc(C)s2)c(=O)[n-]1 ZINC000545350816 673761784 /nfs/dbraw/zinc/76/17/84/673761784.db2.gz FRECSPSXDHUFGO-MRVPVSSYSA-N -1 1 353.473 2.182 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)OC)c(F)cc1F)C1CC1 ZINC000600638182 673784416 /nfs/dbraw/zinc/78/44/16/673784416.db2.gz SLMDXGHTNFQRMD-AWEZNQCLSA-N -1 1 363.382 2.308 20 0 FEADMM COc1ccc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000744318483 673793248 /nfs/dbraw/zinc/79/32/48/673793248.db2.gz SYCZJPGBGABIIO-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1 ZINC000546534928 673802321 /nfs/dbraw/zinc/80/23/21/673802321.db2.gz LOSDTGHXILBVPP-HSZRJFAPSA-N -1 1 367.448 2.153 20 0 FEADMM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000546629423 673807799 /nfs/dbraw/zinc/80/77/99/673807799.db2.gz FKJRWGZSODZDRU-ZDUSSCGKSA-N -1 1 359.806 2.500 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)o1 ZINC000546779788 673818034 /nfs/dbraw/zinc/81/80/34/673818034.db2.gz KPETWJKOHSQGCZ-FXAINCCUSA-N -1 1 362.245 2.278 20 0 FEADMM Cc1nc(-c2ccccc2)c(NC(=O)c2cc(=O)n3[n-]cnc3n2)s1 ZINC000546792147 673819336 /nfs/dbraw/zinc/81/93/36/673819336.db2.gz HNOCFLBRCBNBTG-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM C[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546928870 673828100 /nfs/dbraw/zinc/82/81/00/673828100.db2.gz AQQMDHLHHZPAHB-CYBMUJFWSA-N -1 1 363.439 2.380 20 0 FEADMM O=S(=O)([N-]CC1(O)Cc2ccccc2C1)c1c(F)cccc1Cl ZINC000547337222 673844359 /nfs/dbraw/zinc/84/43/59/673844359.db2.gz HHZVFLNRXDCLTJ-UHFFFAOYSA-N -1 1 355.818 2.287 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000601377724 673851904 /nfs/dbraw/zinc/85/19/04/673851904.db2.gz IPGOEWBGYQFHTC-QVQLBTGDSA-N -1 1 369.464 2.178 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)C(=O)Nc2ccccc2)c(F)c1 ZINC000601529389 673878430 /nfs/dbraw/zinc/87/84/30/673878430.db2.gz MIATVTQAJJGBFD-SNVBAGLBSA-N -1 1 370.377 2.279 20 0 FEADMM CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1OC)C(F)(F)F ZINC000547818407 673891325 /nfs/dbraw/zinc/89/13/25/673891325.db2.gz BVBJLUANUSSROP-ZDUSSCGKSA-N -1 1 369.361 2.491 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000747213697 673912869 /nfs/dbraw/zinc/91/28/69/673912869.db2.gz VNAPIKVSAJTZRW-NSHDSACASA-N -1 1 360.380 2.228 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000747405064 673926517 /nfs/dbraw/zinc/92/65/17/673926517.db2.gz JGGOTEJRSIPZNR-GOSISDBHSA-N -1 1 359.451 2.166 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(N(C)CC(F)F)CC1 ZINC000747410451 673927013 /nfs/dbraw/zinc/92/70/13/673927013.db2.gz VAAPIXCTYKHPEU-UHFFFAOYSA-N -1 1 356.417 2.416 20 0 FEADMM Cc1ccc(C[C@H](CNS(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000548547529 673969352 /nfs/dbraw/zinc/96/93/52/673969352.db2.gz FAHFPVNWZCJBSP-CYBMUJFWSA-N -1 1 369.389 2.495 20 0 FEADMM O=C(c1cc2occc2s1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000548632215 673982072 /nfs/dbraw/zinc/98/20/72/673982072.db2.gz QCRNHZOLEOFQAG-UHFFFAOYSA-N -1 1 357.391 2.193 20 0 FEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCN3C[C@H]4CC[C@@H](C3)O4)c12 ZINC000566292217 675201305 /nfs/dbraw/zinc/20/13/05/675201305.db2.gz ZDPRWBYYYXYLBS-TXEJJXNPSA-N -1 1 362.455 2.281 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)c(C(F)(F)F)n1 ZINC000566384565 675209686 /nfs/dbraw/zinc/20/96/86/675209686.db2.gz NWCGDSGMRYLYQJ-UHFFFAOYSA-N -1 1 370.356 2.466 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCN3C)cs1 ZINC000818283990 675210953 /nfs/dbraw/zinc/21/09/53/675210953.db2.gz ZBJXRBHYDXUKIL-UHFFFAOYSA-N -1 1 368.436 2.164 20 0 FEADMM O=C([O-])c1cn(C2CCN(Cc3ccccc3OC(F)F)CC2)nn1 ZINC000566509370 675220255 /nfs/dbraw/zinc/22/02/55/675220255.db2.gz CPNWYEOBUXHSRA-UHFFFAOYSA-N -1 1 352.341 2.415 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000615227389 676208030 /nfs/dbraw/zinc/20/80/30/676208030.db2.gz QEACIVUVKLPHHM-JTQLQIEISA-N -1 1 358.427 2.284 20 0 FEADMM CC(C)N(C(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1)C(C)C ZINC000567117213 675268278 /nfs/dbraw/zinc/26/82/78/675268278.db2.gz FZFOCWYGEVZLGB-CYBMUJFWSA-N -1 1 364.471 2.279 20 0 FEADMM CC(C)N(C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1)C(C)C ZINC000567117213 675268281 /nfs/dbraw/zinc/26/82/81/675268281.db2.gz FZFOCWYGEVZLGB-CYBMUJFWSA-N -1 1 364.471 2.279 20 0 FEADMM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1cccc(F)c1F ZINC000567547840 675301231 /nfs/dbraw/zinc/30/12/31/675301231.db2.gz IEADRNAJEZWBFB-GUYCJALGSA-N -1 1 353.390 2.409 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCNC(=O)OC(C)(C)C)c(F)c1 ZINC000819864561 675317466 /nfs/dbraw/zinc/31/74/66/675317466.db2.gz BUTRSIOFQJQGBP-UHFFFAOYSA-N -1 1 364.414 2.466 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)c(F)c1 ZINC000819881556 675318541 /nfs/dbraw/zinc/31/85/41/675318541.db2.gz KEQDWGLGYIURPP-DZGCQCFKSA-N -1 1 355.362 2.046 20 0 FEADMM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1nc2ccccc2s1 ZINC000567781448 675322167 /nfs/dbraw/zinc/32/21/67/675322167.db2.gz FQZVMDQRKIXYOU-UHFFFAOYSA-N -1 1 372.365 2.492 20 0 FEADMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccn(C)n3)n2)cc1 ZINC000567783251 675322479 /nfs/dbraw/zinc/32/24/79/675322479.db2.gz RKEPQSCETFXZID-NSHDSACASA-N -1 1 361.427 2.072 20 0 FEADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CC(O)C1 ZINC000568086707 675350107 /nfs/dbraw/zinc/35/01/07/675350107.db2.gz PERDVLOQMYZZGF-UHFFFAOYSA-N -1 1 351.200 2.298 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC000615787445 676228707 /nfs/dbraw/zinc/22/87/07/676228707.db2.gz QRQAYMMJZWEPJQ-GFCCVEGCSA-N -1 1 363.357 2.060 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)c2ncc(Cl)n2C)c1 ZINC000820486139 675365308 /nfs/dbraw/zinc/36/53/08/675365308.db2.gz GIXMWEUFCBPRFJ-VCGICTTQSA-N -1 1 356.831 2.494 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OC2CCN(CC(F)F)CC2)c1 ZINC000820550870 675369403 /nfs/dbraw/zinc/36/94/03/675369403.db2.gz MZDZZGMSHGHXGK-XMMPIXPASA-N -1 1 361.410 2.076 20 0 FEADMM Cn1ccnc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000568593053 675384753 /nfs/dbraw/zinc/38/47/53/675384753.db2.gz YOLDIELEOKARHT-GXFFZTMASA-N -1 1 373.837 2.411 20 0 FEADMM O=C1CCCCN1c1cccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000821144882 675418296 /nfs/dbraw/zinc/41/82/96/675418296.db2.gz KNUAGIHLZMGDTE-UHFFFAOYSA-N -1 1 371.484 2.122 20 0 FEADMM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144354 675532226 /nfs/dbraw/zinc/53/22/26/675532226.db2.gz FNJRGMXVGPGPST-UHFFFAOYSA-N -1 1 354.395 2.073 20 0 FEADMM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144354 675532229 /nfs/dbraw/zinc/53/22/29/675532229.db2.gz FNJRGMXVGPGPST-UHFFFAOYSA-N -1 1 354.395 2.073 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCN(Cc2cccs2)CC1 ZINC000823708955 675568240 /nfs/dbraw/zinc/56/82/40/675568240.db2.gz DGIQMVWYXDTHRQ-UHFFFAOYSA-N -1 1 359.480 2.038 20 0 FEADMM COC(=O)c1coc(C[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)n1 ZINC000823992668 675578991 /nfs/dbraw/zinc/57/89/91/675578991.db2.gz XKZQYORMMNJAMW-UHFFFAOYSA-N -1 1 359.716 2.226 20 0 FEADMM COc1cc(C(=O)NC[C@H]2CC3(CO2)CCOCC3)cc(Cl)c1[O-] ZINC000825470274 675654904 /nfs/dbraw/zinc/65/49/04/675654904.db2.gz NASYCTICUIRCJH-GFCCVEGCSA-N -1 1 355.818 2.370 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[nH]n2)c(C)c1C ZINC000826211723 675683864 /nfs/dbraw/zinc/68/38/64/675683864.db2.gz RMGQTNOPRVNWHQ-UHFFFAOYSA-N -1 1 359.411 2.293 20 0 FEADMM CSCCCCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826228186 675684343 /nfs/dbraw/zinc/68/43/43/675684343.db2.gz HOPDERRLJFOVII-UHFFFAOYSA-N -1 1 373.479 2.208 20 0 FEADMM CSCCCCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826228186 675684346 /nfs/dbraw/zinc/68/43/46/675684346.db2.gz HOPDERRLJFOVII-UHFFFAOYSA-N -1 1 373.479 2.208 20 0 FEADMM Clc1ccc(NC[C@@H]2COC3(CCCCC3)O2)nc1-c1nnn[n-]1 ZINC000826352535 675686629 /nfs/dbraw/zinc/68/66/29/675686629.db2.gz FMAAEIHKMLBXJY-SNVBAGLBSA-N -1 1 350.810 2.403 20 0 FEADMM Clc1ccc(NC[C@@H]2COC3(CCCCC3)O2)nc1-c1nn[n-]n1 ZINC000826352535 675686630 /nfs/dbraw/zinc/68/66/30/675686630.db2.gz FMAAEIHKMLBXJY-SNVBAGLBSA-N -1 1 350.810 2.403 20 0 FEADMM Cc1onc(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1-c1nnn[n-]1 ZINC000826348525 675686722 /nfs/dbraw/zinc/68/67/22/675686722.db2.gz QOANNSRVJYREIR-UHFFFAOYSA-N -1 1 361.793 2.064 20 0 FEADMM Cc1onc(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1-c1nn[n-]n1 ZINC000826348525 675686724 /nfs/dbraw/zinc/68/67/24/675686724.db2.gz QOANNSRVJYREIR-UHFFFAOYSA-N -1 1 361.793 2.064 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3c(cccc3C)s2)c1-c1nnn[n-]1 ZINC000826348930 675686842 /nfs/dbraw/zinc/68/68/42/675686842.db2.gz MNWPFNZSCXERIY-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3c(cccc3C)s2)c1-c1nn[n-]n1 ZINC000826348930 675686844 /nfs/dbraw/zinc/68/68/44/675686844.db2.gz MNWPFNZSCXERIY-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM C[C@H](C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1cccc(O)c1 ZINC000826685083 675700006 /nfs/dbraw/zinc/70/00/06/675700006.db2.gz AZULDBYZYRBZPF-SUNKGSAMSA-N -1 1 358.360 2.411 20 0 FEADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc2n[n-]c(=S)n2c1 ZINC000827527110 675762397 /nfs/dbraw/zinc/76/23/97/675762397.db2.gz XYYIFYOZLZRRDI-JFGNBEQYSA-N -1 1 352.510 2.127 20 0 FEADMM CCCCC[C@H](O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000828292285 675811046 /nfs/dbraw/zinc/81/10/46/675811046.db2.gz BRTKBZZBJVHRCU-INIZCTEOSA-N -1 1 372.487 2.302 20 0 FEADMM CCOc1c(Cl)cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000605381266 675812461 /nfs/dbraw/zinc/81/24/61/675812461.db2.gz AHCKONZINLGROI-UHFFFAOYSA-N -1 1 365.821 2.460 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)ccc1C ZINC000605497950 675816550 /nfs/dbraw/zinc/81/65/50/675816550.db2.gz PYEOXOJYXCHXFI-UHFFFAOYSA-N -1 1 361.423 2.162 20 0 FEADMM O=S(=O)([N-]Cc1n[nH]cc1Br)c1cc(F)c(F)cc1F ZINC000606458235 675833889 /nfs/dbraw/zinc/83/38/89/675833889.db2.gz MXBBJDOWQJQCMP-UHFFFAOYSA-N -1 1 370.150 2.068 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccn(CCF)n1 ZINC000828845626 675848220 /nfs/dbraw/zinc/84/82/20/675848220.db2.gz FAQLQOGARUQAAZ-UHFFFAOYSA-N -1 1 354.407 2.257 20 0 FEADMM O=C1NCCc2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc21 ZINC000607615032 675870878 /nfs/dbraw/zinc/87/08/78/675870878.db2.gz CMZQVEHIJVOJFU-UHFFFAOYSA-N -1 1 353.403 2.322 20 0 FEADMM COC[C@@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000616364095 676247446 /nfs/dbraw/zinc/24/74/46/676247446.db2.gz LFYZVEVJIADVKF-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617096994 676269541 /nfs/dbraw/zinc/26/95/41/676269541.db2.gz BVIYZINGIPKMCT-UHFFFAOYSA-N -1 1 372.472 2.236 20 0 FEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000617172233 676272249 /nfs/dbraw/zinc/27/22/49/676272249.db2.gz NHUHKLRHTYIHFB-CYBMUJFWSA-N -1 1 354.403 2.078 20 0 FEADMM CO[C@@]1(CO)CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000617803911 676306129 /nfs/dbraw/zinc/30/61/29/676306129.db2.gz RWCGGQCANRGMBG-KRWDZBQOSA-N -1 1 350.802 2.207 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cccc3c2OCCO3)[nH]nc1C(F)(F)F ZINC000677232710 679668182 /nfs/dbraw/zinc/66/81/82/679668182.db2.gz DAKGWHOIKVDQIY-UHFFFAOYSA-N -1 1 363.317 2.309 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)o1 ZINC000619096148 676363406 /nfs/dbraw/zinc/36/34/06/676363406.db2.gz INFZLEYTZWCMAJ-OLZOCXBDSA-N -1 1 370.471 2.044 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)c1cccc(OC)c1)(C(=O)OC)c1ccccc1 ZINC000619482466 676379814 /nfs/dbraw/zinc/37/98/14/676379814.db2.gz HOJFKGBVPTVOEW-SFHVURJKSA-N -1 1 363.435 2.452 20 0 FEADMM COC(=O)CC1([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)CCCC1 ZINC000619502507 676382335 /nfs/dbraw/zinc/38/23/35/676382335.db2.gz GFPVFCNHWGNHIB-UHFFFAOYSA-N -1 1 363.382 2.128 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)COc2cccc(Br)c2)n1 ZINC000619865187 676397847 /nfs/dbraw/zinc/39/78/47/676397847.db2.gz DSFYKFDBAAOEAH-UHFFFAOYSA-N -1 1 368.187 2.366 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CCCC1 ZINC000620172268 676409205 /nfs/dbraw/zinc/40/92/05/676409205.db2.gz YPWGIRWMTUWONR-CQSZACIVSA-N -1 1 372.487 2.291 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](CN2CCCC2=O)C1 ZINC000620254387 676411801 /nfs/dbraw/zinc/41/18/01/676411801.db2.gz QWQBUKYAJGEBCD-NSHDSACASA-N -1 1 367.243 2.239 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCSc4ccccc43)nc2n1 ZINC000622994350 676514613 /nfs/dbraw/zinc/51/46/13/676514613.db2.gz LLDITNSQPVUIFX-LBPRGKRZSA-N -1 1 355.423 2.198 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(OC)ccc1O ZINC000677598247 679688371 /nfs/dbraw/zinc/68/83/71/679688371.db2.gz CMSWPXGQDAQQFC-UHFFFAOYSA-N -1 1 350.396 2.415 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1c([O-])cccc1F ZINC000677647636 679690736 /nfs/dbraw/zinc/69/07/36/679690736.db2.gz RTNGJOYUJNDERJ-VIFPVBQESA-N -1 1 372.805 2.490 20 0 FEADMM C[C@@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@H]1C(=O)[O-] ZINC000626753497 676720816 /nfs/dbraw/zinc/72/08/16/676720816.db2.gz OZYXWOIFYMRDTQ-IUODEOHRSA-N -1 1 351.422 2.140 20 0 FEADMM O=C(NC1(CO)CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000678094398 679715037 /nfs/dbraw/zinc/71/50/37/679715037.db2.gz VQDRBNCBCYWHMG-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM COc1cc2[n-]cc(C(=O)N3CC(CC(F)F)C3)c(=O)c2c(OC)c1 ZINC000627837206 676773918 /nfs/dbraw/zinc/77/39/18/676773918.db2.gz DZEMVKNIXJRKRH-UHFFFAOYSA-N -1 1 352.337 2.273 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000628986372 676827003 /nfs/dbraw/zinc/82/70/03/676827003.db2.gz YIJIAUYCYXITMB-MNOVXSKESA-N -1 1 363.357 2.203 20 0 FEADMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1c(F)cccc1CO ZINC000629292747 676841878 /nfs/dbraw/zinc/84/18/78/676841878.db2.gz WVHMDUBHCFYPOM-HNNXBMFYSA-N -1 1 371.405 2.457 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1C ZINC000629317138 676845759 /nfs/dbraw/zinc/84/57/59/676845759.db2.gz ZJUOOWLCIKZYDG-UHFFFAOYSA-N -1 1 369.464 2.349 20 0 FEADMM COCCOCc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000629329917 676847237 /nfs/dbraw/zinc/84/72/37/676847237.db2.gz MXHZQGMZPCMKNT-UHFFFAOYSA-N -1 1 352.412 2.054 20 0 FEADMM NS(=O)(=O)c1cc(Cl)cc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c1 ZINC000629378624 676852699 /nfs/dbraw/zinc/85/26/99/676852699.db2.gz SNRURQMAJAGUAZ-SOUVJXGZSA-N -1 1 372.874 2.063 20 0 FEADMM O=C([O-])C1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629486033 676856859 /nfs/dbraw/zinc/85/68/59/676856859.db2.gz RTKFNMQHLGCFAO-CQSZACIVSA-N -1 1 367.243 2.499 20 0 FEADMM CCCN(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000629597500 676861593 /nfs/dbraw/zinc/86/15/93/676861593.db2.gz ZQCCVCKSLHAVOO-UHFFFAOYSA-N -1 1 351.428 2.286 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 ZINC000630226420 676888501 /nfs/dbraw/zinc/88/85/01/676888501.db2.gz ZXLGXVACSFQLFP-LBPRGKRZSA-N -1 1 363.845 2.453 20 0 FEADMM Cc1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)ccc1Br ZINC000630227426 676888646 /nfs/dbraw/zinc/88/86/46/676888646.db2.gz JSSGLTGJGQKHNW-UHFFFAOYSA-N -1 1 369.259 2.379 20 0 FEADMM Cc1cccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1Br ZINC000630227664 676888821 /nfs/dbraw/zinc/88/88/21/676888821.db2.gz OTPGMPMYZBCAHF-UHFFFAOYSA-N -1 1 369.259 2.379 20 0 FEADMM CO[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[C@](C)(C(=O)[O-])C1 ZINC000630309851 676892751 /nfs/dbraw/zinc/89/27/51/676892751.db2.gz IESROEKPYGSZRF-PXAZEXFGSA-N -1 1 363.801 2.434 20 0 FEADMM CO[C@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@](C)(C(=O)[O-])C1 ZINC000630311143 676892904 /nfs/dbraw/zinc/89/29/04/676892904.db2.gz LHKJZCLAUAYIIL-QGHHPUGFSA-N -1 1 363.801 2.434 20 0 FEADMM CO[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@](C)(C(=O)[O-])C1 ZINC000630311141 676892912 /nfs/dbraw/zinc/89/29/12/676892912.db2.gz LHKJZCLAUAYIIL-BTDLBPIBSA-N -1 1 363.801 2.434 20 0 FEADMM C[C@@H]1CN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CC[C@H]1C(=O)[O-] ZINC000630574568 676910591 /nfs/dbraw/zinc/91/05/91/676910591.db2.gz FUQZMWPQMFCCCX-CKUKBARFSA-N -1 1 369.259 2.192 20 0 FEADMM Cc1ccoc1C(=O)NCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631415846 676944411 /nfs/dbraw/zinc/94/44/11/676944411.db2.gz AGLAMGMSSJNYNU-UHFFFAOYSA-N -1 1 350.802 2.426 20 0 FEADMM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)C[C@H](C)O1 ZINC000631691815 676952112 /nfs/dbraw/zinc/95/21/12/676952112.db2.gz BSMFKSNQGQTCAZ-QWRGUYRKSA-N -1 1 366.430 2.383 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)sn1 ZINC000631744859 676954950 /nfs/dbraw/zinc/95/49/50/676954950.db2.gz MSLDORKJMUBSOP-UHFFFAOYSA-N -1 1 367.374 2.266 20 0 FEADMM O=c1[nH]cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000631812186 676958701 /nfs/dbraw/zinc/95/87/01/676958701.db2.gz CBOXIEBGJCRYRX-AWEZNQCLSA-N -1 1 367.496 2.182 20 0 FEADMM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1c[nH]nc1C(F)(F)F ZINC000632010199 676970425 /nfs/dbraw/zinc/97/04/25/676970425.db2.gz QOZRTQHVWPUUDL-JTQLQIEISA-N -1 1 355.382 2.038 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@@H](c2nnc3ccccn32)C(C)C)sn1 ZINC000632086436 676974920 /nfs/dbraw/zinc/97/49/20/676974920.db2.gz DPORVOJBIUYMKZ-CYBMUJFWSA-N -1 1 351.457 2.170 20 0 FEADMM CC(C)c1csc(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)n1 ZINC000632110271 676976185 /nfs/dbraw/zinc/97/61/85/676976185.db2.gz RSUBCNQXXRRQSW-UHFFFAOYSA-N -1 1 368.406 2.497 20 0 FEADMM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632128065 676977299 /nfs/dbraw/zinc/97/72/99/676977299.db2.gz PFSMIXNOTRVRJF-UHFFFAOYSA-N -1 1 352.403 2.436 20 0 FEADMM COCC[C@H](NS(=O)(=O)c1cc(OC)ccc1[O-])c1ccc(C)o1 ZINC000632185630 676980517 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351.447 2.463 20 0 FEADMM CC(C)c1ccc(Cl)c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC000669442675 679235935 /nfs/dbraw/zinc/23/59/35/679235935.db2.gz ITJDWAJOLLYHJS-UHFFFAOYSA-N -1 1 362.879 2.100 20 0 FEADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000765421137 680841817 /nfs/dbraw/zinc/84/18/17/680841817.db2.gz OZLPTDYGZFVBPH-VIFPVBQESA-N -1 1 354.815 2.184 20 0 FEADMM Cn1[n-]c(COC(=O)c2ccc(Oc3ccccc3Cl)nc2)nc1=O ZINC000765486517 680843633 /nfs/dbraw/zinc/84/36/33/680843633.db2.gz JKVGBIJFINIFTO-UHFFFAOYSA-N -1 1 360.757 2.306 20 0 FEADMM CC[C@@H](Cc1ccccc1Br)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765494743 680844066 /nfs/dbraw/zinc/84/40/66/680844066.db2.gz GLBZYKJBNUZDRX-JTQLQIEISA-N -1 1 368.231 2.183 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H](C)S1(=O)=O ZINC000672516347 679381195 /nfs/dbraw/zinc/38/11/95/679381195.db2.gz HHMKKAOATVYTCG-GXSJLCMTSA-N -1 1 365.373 2.449 20 0 FEADMM Cc1cccn2cc(CC[N-]S(=O)(=O)c3cccc(F)c3F)nc12 ZINC000673823871 679449269 /nfs/dbraw/zinc/44/92/69/679449269.db2.gz XEAWFFMXAJYVNI-UHFFFAOYSA-N -1 1 351.378 2.442 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000765741005 680853540 /nfs/dbraw/zinc/85/35/40/680853540.db2.gz QWTIMZLIIQQCPM-JGVFFNPUSA-N -1 1 367.176 2.369 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC(F)(F)C2)o1 ZINC000675670938 679571763 /nfs/dbraw/zinc/57/17/63/679571763.db2.gz SLJVKHRAASXTDD-VIFPVBQESA-N -1 1 350.387 2.274 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)sc1C ZINC000676414808 679632395 /nfs/dbraw/zinc/63/23/95/679632395.db2.gz JHWWKXBLJYGYCN-CHWSQXEVSA-N -1 1 359.517 2.122 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)c1 ZINC000676489518 679634948 /nfs/dbraw/zinc/63/49/48/679634948.db2.gz PYODQQQXTSWKLQ-UHFFFAOYSA-N -1 1 358.419 2.366 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)c(F)c1 ZINC000676861610 679646088 /nfs/dbraw/zinc/64/60/88/679646088.db2.gz CDENPBPWRXJFDL-OAHLLOKOSA-N -1 1 357.378 2.294 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(OC)n1 ZINC000677123914 679655385 /nfs/dbraw/zinc/65/53/85/679655385.db2.gz KMJRVNCYIPDSMY-UHFFFAOYSA-N -1 1 366.395 2.215 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000831288508 679961442 /nfs/dbraw/zinc/96/14/42/679961442.db2.gz QYLBZHXTJZPTLM-MRVPVSSYSA-N -1 1 374.816 2.004 20 0 FEADMM CCCCCCNC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])nn2C)C1 ZINC000874037111 685277447 /nfs/dbraw/zinc/27/74/47/685277447.db2.gz QPNFNWJRFIWJSQ-CQSZACIVSA-N -1 1 350.463 2.027 20 0 FEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c1F ZINC000749184101 680027446 /nfs/dbraw/zinc/02/74/46/680027446.db2.gz XABVGHKJFOSRGC-UHFFFAOYSA-N -1 1 361.288 2.372 20 0 FEADMM Cc1nonc1C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750166206 680104804 /nfs/dbraw/zinc/10/48/04/680104804.db2.gz VZVCRVHNLBASMI-UHFFFAOYSA-N -1 1 356.766 2.197 20 0 FEADMM O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000751068012 680151969 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O=C(Cc1ccc([O-])c(Cl)c1)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000834613899 680247977 /nfs/dbraw/zinc/24/79/77/680247977.db2.gz GYPNFPJNEIEGIS-YHWZYXNKSA-N -1 1 357.859 2.060 20 0 FEADMM COC[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(F)(F)F ZINC000752548513 680248396 /nfs/dbraw/zinc/24/83/96/680248396.db2.gz ZTMUAGRFHDGJSQ-SECBINFHSA-N -1 1 354.350 2.266 20 0 FEADMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823658 680273146 /nfs/dbraw/zinc/27/31/46/680273146.db2.gz ZEHXCHBZEXIVFN-UHFFFAOYSA-N -1 1 356.850 2.372 20 0 FEADMM Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834834056 680275103 /nfs/dbraw/zinc/27/51/03/680275103.db2.gz VACSFYMUCQCEDI-UHFFFAOYSA-N -1 1 359.817 2.349 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(C[C@]3(C)CC3(Cl)Cl)no2)co1 ZINC000834869581 680278912 /nfs/dbraw/zinc/27/89/12/680278912.db2.gz FVISLWOPRNIJSK-LLVKDONJSA-N -1 1 366.226 2.364 20 0 FEADMM CSc1nc(CNC(=O)C[C@H](C)N2CCc3ccccc32)cc(=O)[n-]1 ZINC000912241230 685337711 /nfs/dbraw/zinc/33/77/11/685337711.db2.gz VPCWYPIADWADJT-LBPRGKRZSA-N -1 1 358.467 2.362 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)nc2Cl)c(C)o1 ZINC000754695972 680371578 /nfs/dbraw/zinc/37/15/78/680371578.db2.gz XDCWJTUTBWLXMS-UHFFFAOYSA-N -1 1 360.775 2.232 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H](C)C(C)(F)F ZINC000984796590 680380617 /nfs/dbraw/zinc/38/06/17/680380617.db2.gz KVMNXRMHQZCFHZ-SDDRHHMPSA-N -1 1 355.385 2.188 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)co1 ZINC000755449600 680415401 /nfs/dbraw/zinc/41/54/01/680415401.db2.gz VAFIRVBQZCAJSO-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM CC[C@@H](O)CCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836738021 680505335 /nfs/dbraw/zinc/50/53/35/680505335.db2.gz FSLGUNHZDFMVHE-CYBMUJFWSA-N -1 1 361.364 2.456 20 0 FEADMM CC[C@@](C)(CO)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836737999 680505367 /nfs/dbraw/zinc/50/53/67/680505367.db2.gz FBVPCLMTAOQNSC-HNNXBMFYSA-N -1 1 361.364 2.456 20 0 FEADMM C[C@H](C1CC1)n1cc(NC(=O)C(=O)NCc2ccc([O-])c(Cl)c2)cn1 ZINC000874319945 685355031 /nfs/dbraw/zinc/35/50/31/685355031.db2.gz NEPLGYKYZIIHED-SNVBAGLBSA-N -1 1 362.817 2.468 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000837575248 680621177 /nfs/dbraw/zinc/62/11/77/680621177.db2.gz LOMPQBQHDAJYJF-ONGXEEELSA-N -1 1 371.821 2.309 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2nc3c(s2)CCC3)CC1)C(F)(F)F ZINC000841433639 680881380 /nfs/dbraw/zinc/88/13/80/680881380.db2.gz XCTQKQCINWBSQV-UHFFFAOYSA-N -1 1 361.389 2.163 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@]2(C)CCOC2)c(F)cc1Cl ZINC000841511219 680889281 /nfs/dbraw/zinc/88/92/81/680889281.db2.gz RBIPDFOBZFDEOB-CQSZACIVSA-N -1 1 365.810 2.113 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CC)[C@H](C)O)c(F)cc1Cl ZINC000841526416 680891979 /nfs/dbraw/zinc/89/19/79/680891979.db2.gz FCPBTBFKNFTCHA-QPUJVOFHSA-N -1 1 367.826 2.094 20 0 FEADMM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000841566365 680899247 /nfs/dbraw/zinc/89/92/47/680899247.db2.gz HRJVWLCPESVFNK-AAEUAGOBSA-N -1 1 355.847 2.164 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1oc(C)nc1C ZINC000767304819 680906834 /nfs/dbraw/zinc/90/68/34/680906834.db2.gz IKJOXWLHPSUOTE-UHFFFAOYSA-N -1 1 366.395 2.093 20 0 FEADMM COc1ccc([C@H](NCc2cc(Br)nn2C)C(=O)[O-])cc1F ZINC000841796767 680912823 /nfs/dbraw/zinc/91/28/23/680912823.db2.gz PQAFIFKXAZMFLA-ZDUSSCGKSA-N -1 1 372.194 2.246 20 0 FEADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000767983618 680934424 /nfs/dbraw/zinc/93/44/24/680934424.db2.gz MDZZQVHKRHWPCT-NSHDSACASA-N -1 1 350.419 2.451 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000768045184 680935894 /nfs/dbraw/zinc/93/58/94/680935894.db2.gz DQCCBRNWARBSLN-UHFFFAOYSA-N -1 1 360.750 2.167 20 0 FEADMM COC(=O)C1(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCC1 ZINC000842427997 680946437 /nfs/dbraw/zinc/94/64/37/680946437.db2.gz JFLWPHPFLFMQKE-UHFFFAOYSA-N -1 1 354.428 2.032 20 0 FEADMM 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0 FEADMM Cc1cc(F)c(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000871961504 684895317 /nfs/dbraw/zinc/89/53/17/684895317.db2.gz QRTKPKQRRWJLQI-QWHCGFSZSA-N -1 1 370.446 2.080 20 0 FEADMM Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(C(C)C)C2)cc(C(=O)[O-])c1C ZINC000871970619 684898899 /nfs/dbraw/zinc/89/88/99/684898899.db2.gz BBCOHEJHYMDNMR-AWEZNQCLSA-N -1 1 354.472 2.105 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1C(F)(F)F ZINC000872002874 684911234 /nfs/dbraw/zinc/91/12/34/684911234.db2.gz FQGPIWPTYQJHIL-UHFFFAOYSA-N -1 1 351.354 2.260 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1cc(OC)c(OC)cc1F ZINC000872351690 684939244 /nfs/dbraw/zinc/93/92/44/684939244.db2.gz MSBXVKXDIWPWRQ-UHFFFAOYSA-N -1 1 354.425 2.007 20 0 FEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC000872448345 684951109 /nfs/dbraw/zinc/95/11/09/684951109.db2.gz CRODLWCMSQTJSM-LFVRLGFBSA-N -1 1 373.544 2.386 20 0 FEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000872454570 684953447 /nfs/dbraw/zinc/95/34/47/684953447.db2.gz SIDXRJYYJGFYAL-JLCFBVMHSA-N -1 1 362.517 2.231 20 0 FEADMM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872466335 684956666 /nfs/dbraw/zinc/95/66/66/684956666.db2.gz YPQQXOMCMAEOBN-CWKPULSASA-N -1 1 366.530 2.440 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1(CO)CCCC1 ZINC000872495606 684965368 /nfs/dbraw/zinc/96/53/68/684965368.db2.gz PYQVSHQECZUJIO-MCMMXHMISA-N -1 1 368.565 2.294 20 0 FEADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1CCN(C(=O)C2CC2)CC1 ZINC000872816247 685019969 /nfs/dbraw/zinc/01/99/69/685019969.db2.gz WPYUNQUODOZSEN-UHFFFAOYSA-N -1 1 351.834 2.246 20 0 FEADMM CC(C)(SCC(=O)[O-])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000872846405 685024102 /nfs/dbraw/zinc/02/41/02/685024102.db2.gz WDVIUFSYCWIZJQ-HNNXBMFYSA-N -1 1 350.484 2.364 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])o1 ZINC000910460200 685060409 /nfs/dbraw/zinc/06/04/09/685060409.db2.gz XEPZBMYKLNROFH-OAHLLOKOSA-N -1 1 352.431 2.121 20 0 FEADMM COCCOc1cc(C(=O)[O-])ccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000910695913 685101714 /nfs/dbraw/zinc/10/17/14/685101714.db2.gz GWYRAQJHOJELCV-CHWSQXEVSA-N -1 1 350.415 2.221 20 0 FEADMM CN(C(=O)CCc1cnc[nH]1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910711213 685105527 /nfs/dbraw/zinc/10/55/27/685105527.db2.gz YIVRQBMYYBYYRR-CQSZACIVSA-N -1 1 366.215 2.389 20 0 FEADMM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cc(C(F)(F)F)[nH]n2)c1 ZINC000910775153 685116916 /nfs/dbraw/zinc/11/69/16/685116916.db2.gz SAYWHNWQXXNQOM-LBPRGKRZSA-N -1 1 357.288 2.335 20 0 FEADMM COC[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000873644284 685181629 /nfs/dbraw/zinc/18/16/29/685181629.db2.gz VWTYESFQIRGDPY-INIZCTEOSA-N -1 1 374.409 2.363 20 0 FEADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCN2CC(F)(F)C[C@H]2C1 ZINC000911430404 685210673 /nfs/dbraw/zinc/21/06/73/685210673.db2.gz NIZYHKBFNJGHQE-JTQLQIEISA-N -1 1 351.328 2.245 20 0 FEADMM C[C@H]1COCCN1C1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000911750286 685253628 /nfs/dbraw/zinc/25/36/28/685253628.db2.gz QUTMCSYTCRTNCH-LBPRGKRZSA-N -1 1 366.845 2.364 20 0 FEADMM COc1ccccc1[C@H]1CSCCCN1C(=O)CCCc1nn[n-]n1 ZINC000874920988 685695556 /nfs/dbraw/zinc/69/55/56/685695556.db2.gz DTGWNCSMTCLLRQ-CQSZACIVSA-N -1 1 361.471 2.238 20 0 FEADMM O=C([N-]CC1CN(C(=O)NCCSc2ccccc2)C1)C(F)(F)F ZINC000875016061 685711004 /nfs/dbraw/zinc/71/10/04/685711004.db2.gz PBJGZHWLIFRJAS-UHFFFAOYSA-N -1 1 361.389 2.099 20 0 FEADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](c1cccs1)C1CC1 ZINC000875036787 685717254 /nfs/dbraw/zinc/71/72/54/685717254.db2.gz LHDJGWVZMPJZPS-OAHLLOKOSA-N -1 1 360.439 2.267 20 0 FEADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000875117304 685735532 /nfs/dbraw/zinc/73/55/32/685735532.db2.gz FFBLWYRGOUTEET-JOYOIKCWSA-N -1 1 359.348 2.223 20 0 FEADMM COc1ccc(NC(=O)NCC[C@H]2CCCS2)cc1[N-]S(C)(=O)=O ZINC000876053641 686123134 /nfs/dbraw/zinc/12/31/34/686123134.db2.gz XAQHBTJZCNLJLC-GFCCVEGCSA-N -1 1 373.500 2.474 20 0 FEADMM CC(C)(C)c1ccc(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000876220102 686157422 /nfs/dbraw/zinc/15/74/22/686157422.db2.gz RIMXMICGHBXCQW-UHFFFAOYSA-N -1 1 361.364 2.397 20 0 FEADMM O=C([N-]CC1CN(C(=O)N[C@@H](CF)c2ccc(F)cc2)C1)C(F)(F)F ZINC000876232211 686162483 /nfs/dbraw/zinc/16/24/83/686162483.db2.gz QDAHAHMGTKVJCI-LBPRGKRZSA-N -1 1 365.302 2.156 20 0 FEADMM CCCNC(=O)C1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876393234 686194424 /nfs/dbraw/zinc/19/44/24/686194424.db2.gz JIGCOPOUWAJWIQ-UHFFFAOYSA-N -1 1 353.850 2.493 20 0 FEADMM Cc1nccnc1N1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876396887 686197192 /nfs/dbraw/zinc/19/71/92/686197192.db2.gz RFAIQGOOEDLCIV-UHFFFAOYSA-N -1 1 361.833 2.176 20 0 FEADMM O=C([N-]CC1CN(C(=O)Nc2ccc3scnc3c2)C1)C(F)(F)F ZINC000878535508 686603159 /nfs/dbraw/zinc/60/31/59/686603159.db2.gz VYMFVTPKTGWTLG-UHFFFAOYSA-N -1 1 358.345 2.439 20 0 FEADMM O=C(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000879263574 686782714 /nfs/dbraw/zinc/78/27/14/686782714.db2.gz 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350.234 2.422 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC([C@H]2COC(=O)N2)CC1 ZINC000884921189 687965260 /nfs/dbraw/zinc/96/52/60/687965260.db2.gz QFBRIGGQZFIHSQ-GFCCVEGCSA-N -1 1 369.215 2.115 20 0 FEADMM Cc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3ccns3)CC2)cc1 ZINC000884997087 687988161 /nfs/dbraw/zinc/98/81/61/687988161.db2.gz JTBZCWKORKUBMF-UHFFFAOYSA-N -1 1 365.480 2.035 20 0 FEADMM O=S(=O)([N-]Cc1cccc(COC2CCOCC2)c1)c1ccns1 ZINC000885006828 687992407 /nfs/dbraw/zinc/99/24/07/687992407.db2.gz CIHGNSBCJMSOAK-UHFFFAOYSA-N -1 1 368.480 2.317 20 0 FEADMM C[C@@H]1C(=O)CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000885047935 688005969 /nfs/dbraw/zinc/00/59/69/688005969.db2.gz IAZCQJCBWFEJBU-MRVPVSSYSA-N -1 1 359.163 2.190 20 0 FEADMM CC(C)(C)N1CCC[C@@H](C(=O)NCCc2c(F)cc([O-])cc2F)C1=O ZINC000886271632 688223314 /nfs/dbraw/zinc/22/33/14/688223314.db2.gz PWKLIQAFOXINEY-ZDUSSCGKSA-N -1 1 354.397 2.366 20 0 FEADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@]1(C2CCCC2)CCNC1=O ZINC000886269754 688223343 /nfs/dbraw/zinc/22/33/43/688223343.db2.gz FYYYPNICHYFMSQ-GOSISDBHSA-N -1 1 352.381 2.026 20 0 FEADMM O=S(=O)([N-]CC(F)(F)C(F)F)c1cnc2onc(C3CC3)c2c1 ZINC000886403649 688245561 /nfs/dbraw/zinc/24/55/61/688245561.db2.gz KZVGOTMVQXTBKV-UHFFFAOYSA-N -1 1 353.297 2.279 20 0 FEADMM COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)c2c([O-])cccc2Cl)O1 ZINC000886445257 688260277 /nfs/dbraw/zinc/26/02/77/688260277.db2.gz ALHPBNHYYFDMJB-LNSITVRQSA-N -1 1 355.818 2.081 20 0 FEADMM CCOC(=O)[C@@H](CCCC(C)C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000886934063 688342170 /nfs/dbraw/zinc/34/21/70/688342170.db2.gz KOLBNSAUNOOUKZ-OAHLLOKOSA-N -1 1 351.447 2.103 20 0 FEADMM CCC(CC)(CNC(=O)[C@@H](N)c1ccc(Br)cc1)C(=O)[O-] ZINC000887398153 688420017 /nfs/dbraw/zinc/42/00/17/688420017.db2.gz QMSMXPCBJUCMNW-LBPRGKRZSA-N -1 1 357.248 2.456 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@H](C3CC3)O2)o1 ZINC000887495295 688435874 /nfs/dbraw/zinc/43/58/74/688435874.db2.gz DUYYUELHZWFLKM-CHWSQXEVSA-N -1 1 370.471 2.044 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000887836435 688502541 /nfs/dbraw/zinc/50/25/41/688502541.db2.gz NWRRUFXMADOEPJ-VTPLQMEGSA-N -1 1 367.471 2.480 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCSC[C@@H]1C1CC1 ZINC000888495358 688623400 /nfs/dbraw/zinc/62/34/00/688623400.db2.gz TUOBQLVZNOYUPJ-OAHLLOKOSA-N -1 1 360.483 2.338 20 0 FEADMM COc1cc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)cc(Cl)c1[O-] ZINC000890160239 688886118 /nfs/dbraw/zinc/88/61/18/688886118.db2.gz VNGLDKHCFUFKNF-KRWDZBQOSA-N -1 1 365.817 2.223 20 0 FEADMM Cc1nc(C)c(CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000891021895 689003150 /nfs/dbraw/zinc/00/31/50/689003150.db2.gz SXUUMFCDLJEUSB-LLVKDONJSA-N -1 1 363.405 2.220 20 0 FEADMM CN1C(=O)[C@@H](NCc2ncc(Br)cc2[O-])Cc2ccccc21 ZINC000895324297 689696413 /nfs/dbraw/zinc/69/64/13/689696413.db2.gz GGNACOMNEHXPPW-LBPRGKRZSA-N -1 1 362.227 2.227 20 0 FEADMM C[C@]1([C@H]2CCCN(Cc3ncc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896396780 689868245 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COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c([O-])cccc1Cl)CCO2 ZINC000899677461 690403762 /nfs/dbraw/zinc/40/37/62/690403762.db2.gz GGXLXWCHKIUECG-VVHFOWEKSA-N -1 1 353.802 2.276 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(C3(O)CCC3)CCC2)c(=O)[n-]1 ZINC000899689243 690406039 /nfs/dbraw/zinc/40/60/39/690406039.db2.gz MDZXNTUZIGHHFF-UHFFFAOYSA-N -1 1 365.499 2.347 20 0 FEADMM C[C@H](C(=O)[N-]OCc1ccccc1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000900002556 690461635 /nfs/dbraw/zinc/46/16/35/690461635.db2.gz WPBJASCRVQUUOI-DZGCQCFKSA-N -1 1 352.431 2.098 20 0 FEADMM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000900245160 690489586 /nfs/dbraw/zinc/48/95/86/690489586.db2.gz IFCGLUBYIHTSAG-SNVBAGLBSA-N -1 1 373.722 2.357 20 0 FEADMM CNC(=O)CC1CCN(Cc2ccc(C(=O)[O-])c(Br)c2)CC1 ZINC000901435915 690646997 /nfs/dbraw/zinc/64/69/97/690646997.db2.gz JYMJVSQGSINBMW-UHFFFAOYSA-N -1 1 369.259 2.495 20 0 FEADMM O=C([O-])[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000901491911 690651672 /nfs/dbraw/zinc/65/16/72/690651672.db2.gz WXQNSNVZXAGSKG-ZDUSSCGKSA-N -1 1 369.259 2.192 20 0 FEADMM Cc1nc(SCC(=O)N2C[C@@H](C)OC(C)(C)C2)[n-]c(=O)c1C1CC1 ZINC000901587158 690661517 /nfs/dbraw/zinc/66/15/17/690661517.db2.gz LPZSDKVEFIBNMD-SNVBAGLBSA-N -1 1 351.472 2.486 20 0 FEADMM CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)O1 ZINC000901602915 690664522 /nfs/dbraw/zinc/66/45/22/690664522.db2.gz YHCWIDYYRFKECM-GJZGRUSLSA-N -1 1 357.476 2.152 20 0 FEADMM CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccccc2-n2ccnn2)O1 ZINC000901605302 690664950 /nfs/dbraw/zinc/66/49/50/690664950.db2.gz QXMMEAZBQLJLPE-CYBMUJFWSA-N -1 1 350.444 2.357 20 0 FEADMM COCCn1cc(CN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)cn1 ZINC000901798152 690695669 /nfs/dbraw/zinc/69/56/69/690695669.db2.gz IMUOHFIXLFTQDF-UHFFFAOYSA-N -1 1 364.471 2.372 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccnn2C2CCC2)c(F)cc1F ZINC000901844538 690701395 /nfs/dbraw/zinc/70/13/95/690701395.db2.gz BJZLEDYJDRYGAM-UHFFFAOYSA-N -1 1 371.365 2.474 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c(F)c1 ZINC000901887425 690707611 /nfs/dbraw/zinc/70/76/11/690707611.db2.gz OIJZZNQAPRDKFD-UHFFFAOYSA-N -1 1 353.375 2.335 20 0 FEADMM CC1(C)C[C@H](O)c2cccc([N-]S(=O)(=O)C[C@@H]3CCCOC3)c2O1 ZINC000901962892 690722360 /nfs/dbraw/zinc/72/23/60/690722360.db2.gz RDEBWZZGLJVRSC-DOMZBBRYSA-N -1 1 355.456 2.449 20 0 FEADMM O=C([O-])/C=C/c1ccc(CNCCCS(=O)(=O)Cc2ccccc2)o1 ZINC000902130476 690739253 /nfs/dbraw/zinc/73/92/53/690739253.db2.gz FZKDUVYTDVTOMK-MDZDMXLPSA-N -1 1 363.435 2.472 20 0 FEADMM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21)N(C)C ZINC000902323000 690757532 /nfs/dbraw/zinc/75/75/32/690757532.db2.gz CHZRPXXFNLNSAC-KOLCDFICSA-N -1 1 355.232 2.304 20 0 FEADMM O=C([O-])Cn1cc(CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)nn1 ZINC000902454439 690766925 /nfs/dbraw/zinc/76/69/25/690766925.db2.gz WXKHQPAXTFFDDQ-AULYBMBSSA-N -1 1 354.332 2.417 20 0 FEADMM O=C([O-])Cn1cc(CNCC/C=C/c2ccc(Br)cc2)nn1 ZINC000902491916 690770615 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IWWSJGGRQPZJLM-MRVPVSSYSA-N -1 1 367.199 2.083 20 0 FEADMM C[C@](NC(=O)CCc1cnc[nH]1)(C(=O)[O-])c1cccc(Br)c1 ZINC000909324189 691807274 /nfs/dbraw/zinc/80/72/74/691807274.db2.gz XUURPDMAXPFGIV-OAHLLOKOSA-N -1 1 366.215 2.221 20 0 FEADMM C[C@](NC(=O)c1cc(Br)cc2nc[nH]c21)(C(=O)[O-])C1CC1 ZINC000909323044 691807388 /nfs/dbraw/zinc/80/73/88/691807388.db2.gz CIQLRLALTKAXHO-CQSZACIVSA-N -1 1 352.188 2.309 20 0 FEADMM C[C@@H]1SCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000909414749 691819642 /nfs/dbraw/zinc/81/96/42/691819642.db2.gz OKTMJWFOJLZEEG-QILLFSRXSA-N -1 1 362.495 2.488 20 0 FEADMM O=C([N-]OCc1ccccn1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000909522496 691831312 /nfs/dbraw/zinc/83/13/12/691831312.db2.gz XTXTVMUBLFUMMD-CQSZACIVSA-N -1 1 359.813 2.332 20 0 FEADMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3Cl)CC2)C1 ZINC000909554617 691833497 /nfs/dbraw/zinc/83/34/97/691833497.db2.gz YBQDSIDZWFNFAN-ZDUSSCGKSA-N -1 1 350.846 2.284 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCC2(c3ccccc3Cl)CC2)C1 ZINC000909554617 691833500 /nfs/dbraw/zinc/83/35/00/691833500.db2.gz YBQDSIDZWFNFAN-ZDUSSCGKSA-N -1 1 350.846 2.284 20 0 FEADMM CN(CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)[C@H]1CCSC1 ZINC000909682318 691845494 /nfs/dbraw/zinc/84/54/94/691845494.db2.gz NHZBDBDQONWCCP-WMLDXEAASA-N -1 1 354.447 2.069 20 0 FEADMM CCN(CC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000909805912 691857781 /nfs/dbraw/zinc/85/77/81/691857781.db2.gz MGOSDJLWBQTSOR-UHFFFAOYSA-N -1 1 369.259 2.347 20 0 FEADMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909975398 691877684 /nfs/dbraw/zinc/87/76/84/691877684.db2.gz PVHZTGXGBKRZIZ-ZDUSSCGKSA-N -1 1 362.398 2.203 20 0 FEADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000909976449 691877896 /nfs/dbraw/zinc/87/78/96/691877896.db2.gz ZKXYGJSMXRLCMY-LPEHRKFASA-N -1 1 352.337 2.173 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1cc([O-])c(F)cc1F ZINC000909976475 691877929 /nfs/dbraw/zinc/87/79/29/691877929.db2.gz AJGWDEAFYCGHAJ-OSAQELSMSA-N -1 1 371.409 2.335 20 0 FEADMM CN(CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000909790661 939728673 /nfs/dbraw/zinc/72/86/73/939728673.db2.gz AYYMCWUAHKELOR-HXUWFJFHSA-N -1 1 368.433 2.038 20 0 FEADMM O=C([O-])[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1cccc(C(F)(F)F)c1 ZINC000910379246 939755322 /nfs/dbraw/zinc/75/53/22/939755322.db2.gz AWNMXDSUVADYPJ-YGRLFVJLSA-N -1 1 367.327 2.476 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1cccs1 ZINC001119639171 939814985 /nfs/dbraw/zinc/81/49/85/939814985.db2.gz ZUFFTPMPCVETFG-INIZCTEOSA-N -1 1 374.466 2.233 20 0 FEADMM CC[C@@H]1COCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000230895205 548761217 /nfs/dbraw/zinc/76/12/17/548761217.db2.gz XOPLMFBYWCSKIR-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)o1 ZINC000076224373 542247089 /nfs/dbraw/zinc/24/70/89/542247089.db2.gz CZIFIBHKXQNWQN-LBPRGKRZSA-N -1 1 350.440 2.284 20 0 FEADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016095613 539627652 /nfs/dbraw/zinc/62/76/52/539627652.db2.gz RMKABPLNTFIXHJ-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)o1 ZINC000025302090 539754454 /nfs/dbraw/zinc/75/44/54/539754454.db2.gz HFIRBGCBUPEMGV-UHFFFAOYSA-N -1 1 361.379 2.459 20 0 FEADMM O=C(NCC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000026204873 539779900 /nfs/dbraw/zinc/77/99/00/539779900.db2.gz BDUXGKVTYPDPNX-UHFFFAOYSA-N -1 1 374.418 2.356 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc[nH]n3)c2)c1 ZINC000026261048 539781846 /nfs/dbraw/zinc/78/18/46/539781846.db2.gz VOBCYAZFTAQOJG-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000029325091 539850246 /nfs/dbraw/zinc/85/02/46/539850246.db2.gz IHGFNUUNLDBNCL-UHFFFAOYSA-N -1 1 362.367 2.086 20 0 FEADMM COc1ccc(NC(=O)c2ccccc2OC)cc1[N-]S(C)(=O)=O ZINC000029817449 539865227 /nfs/dbraw/zinc/86/52/27/539865227.db2.gz JUDPNGZRPCDPTK-UHFFFAOYSA-N -1 1 350.396 2.328 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)c1 ZINC000031719824 539917206 /nfs/dbraw/zinc/91/72/06/539917206.db2.gz ZSGZSMSMMFMKRK-UHFFFAOYSA-N -1 1 373.434 2.156 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1C ZINC000032632005 539945864 /nfs/dbraw/zinc/94/58/64/539945864.db2.gz ZHSWEFNZANFGNI-UHFFFAOYSA-N -1 1 352.387 2.303 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000042091283 540050255 /nfs/dbraw/zinc/05/02/55/540050255.db2.gz DRXQSVFWPYPXOA-UHFFFAOYSA-N -1 1 364.361 2.050 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc3cccnc32)cc1 ZINC000047906753 540333208 /nfs/dbraw/zinc/33/32/08/540333208.db2.gz KCVNIRMSUKMGAU-UHFFFAOYSA-N -1 1 358.375 2.499 20 0 FEADMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000049510723 540390291 /nfs/dbraw/zinc/39/02/91/540390291.db2.gz XOMYQDXTPXYVCM-UHFFFAOYSA-N -1 1 354.378 2.396 20 0 FEADMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000050530444 540407293 /nfs/dbraw/zinc/40/72/93/540407293.db2.gz IJOFLLICRKRPPX-UHFFFAOYSA-N -1 1 363.464 2.400 20 0 FEADMM NC(=O)c1csc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000053793528 540554429 /nfs/dbraw/zinc/55/44/29/540554429.db2.gz ZFSLWQQUYVCJNO-UHFFFAOYSA-N -1 1 358.419 2.288 20 0 FEADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2ncccn2)n1 ZINC000054113694 540569553 /nfs/dbraw/zinc/56/95/53/540569553.db2.gz YAVQLOWZOHYWBD-UHFFFAOYSA-N -1 1 363.406 2.492 20 0 FEADMM CC(C)(C)NC(=O)CN1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000055195410 540634578 /nfs/dbraw/zinc/63/45/78/540634578.db2.gz AKWPLCMUIKFZPJ-UHFFFAOYSA-N -1 1 367.877 2.108 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c(C)c1 ZINC000055596668 540662586 /nfs/dbraw/zinc/66/25/86/540662586.db2.gz ZYNAHOLMASMPNN-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1C ZINC000055596666 540662805 /nfs/dbraw/zinc/66/28/05/540662805.db2.gz HIHKZFGSQHUKDG-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1 ZINC000055601781 540663188 /nfs/dbraw/zinc/66/31/88/540663188.db2.gz XSARNYMIXCONCB-UHFFFAOYSA-N -1 1 373.438 2.498 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000055619029 540664122 /nfs/dbraw/zinc/66/41/22/540664122.db2.gz QIHFPMIKDAQKBS-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000057121855 540770197 /nfs/dbraw/zinc/77/01/97/540770197.db2.gz RYEODUJCSJDWBZ-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCOC(C)C)c1 ZINC000058757985 540855316 /nfs/dbraw/zinc/85/53/16/540855316.db2.gz OPDFJJXOHNTNPJ-UHFFFAOYSA-N -1 1 358.460 2.176 20 0 FEADMM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000060357842 541107447 /nfs/dbraw/zinc/10/74/47/541107447.db2.gz DJJJIDGCGOWZMS-UHFFFAOYSA-N -1 1 360.426 2.330 20 0 FEADMM COC(=O)c1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000063452366 541168723 /nfs/dbraw/zinc/16/87/23/541168723.db2.gz OWGXUTULGHVADL-UHFFFAOYSA-N -1 1 362.407 2.405 20 0 FEADMM O=C(CS(=O)(=O)c1ccc([O-])cc1)Nc1ccccc1OC(F)F ZINC000063927293 541191813 /nfs/dbraw/zinc/19/18/13/541191813.db2.gz IPRIMSKOKIWQBQ-UHFFFAOYSA-N -1 1 357.334 2.406 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000541273906 541179959 /nfs/dbraw/zinc/17/99/59/541179959.db2.gz ZCHBRYNMMHPPSH-JTQLQIEISA-N -1 1 350.400 2.157 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c(C)c1 ZINC000065832589 541264391 /nfs/dbraw/zinc/26/43/91/541264391.db2.gz BQHRODRGORKMIV-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM Cn1ccnc1SCc1cccc(C(=O)NCc2n[n-]c(=S)n2C)c1 ZINC000066626244 541349686 /nfs/dbraw/zinc/34/96/86/541349686.db2.gz RIRRSUQSADMZGE-UHFFFAOYSA-N -1 1 374.495 2.433 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000542200319 541356903 /nfs/dbraw/zinc/35/69/03/541356903.db2.gz JDGSSTZLIPJIRO-GFCCVEGCSA-N -1 1 357.414 2.090 20 0 FEADMM O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1csc(=NC2CC2)[n-]1 ZINC000542431972 541403984 /nfs/dbraw/zinc/40/39/84/541403984.db2.gz UBLONAFSYWDLFI-CYBMUJFWSA-N -1 1 357.439 2.038 20 0 FEADMM CC(=O)NC(=Cc1ccccc1)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074129 541414203 /nfs/dbraw/zinc/41/42/03/541414203.db2.gz VWPUXDSAPLIQKW-RVDMUPIBSA-N -1 1 373.482 2.357 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CCCCCC2)c(F)c1 ZINC000067717984 541504249 /nfs/dbraw/zinc/50/42/49/541504249.db2.gz USBXKMAWPRPOJN-UHFFFAOYSA-N -1 1 364.464 2.198 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC000068452680 541594478 /nfs/dbraw/zinc/59/44/78/541594478.db2.gz OHDQQPNBNGZESW-OCCSQVGLSA-N -1 1 368.503 2.251 20 0 FEADMM Cn1c(C2CCN(C(=O)COc3ccccc3F)CC2)n[n-]c1=S ZINC000068427951 541590571 /nfs/dbraw/zinc/59/05/71/541590571.db2.gz NLKYJTWJIRQTLI-UHFFFAOYSA-N -1 1 350.419 2.402 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2OC)o1 ZINC000068807700 541631104 /nfs/dbraw/zinc/63/11/04/541631104.db2.gz NJWNTWSKGPYCPM-CYBMUJFWSA-N -1 1 364.423 2.174 20 0 FEADMM Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000097552685 209186309 /nfs/dbraw/zinc/18/63/09/209186309.db2.gz KBIDETJFQNUQBJ-CYBMUJFWSA-N -1 1 371.466 2.310 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([O-])cc2)c1 ZINC000069163609 541664953 /nfs/dbraw/zinc/66/49/53/541664953.db2.gz JBQUPCQVMZPWCE-LLVKDONJSA-N -1 1 365.407 2.210 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1 ZINC000071092140 541763811 /nfs/dbraw/zinc/76/38/11/541763811.db2.gz OFLVHBDGQBWEFA-UHFFFAOYSA-N -1 1 372.406 2.245 20 0 FEADMM C[C@@H]1CN(CCOC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCO1 ZINC000801358403 674123999 /nfs/dbraw/zinc/12/39/99/674123999.db2.gz IYSMIWFQQQPRHL-GFCCVEGCSA-N -1 1 365.817 2.109 20 0 FEADMM CCCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374134 674124749 /nfs/dbraw/zinc/12/47/49/674124749.db2.gz AQNMLZHOBKYCJH-SNVBAGLBSA-N -1 1 351.790 2.303 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2ccc(Cl)s2)cc1 ZINC000801481148 674130215 /nfs/dbraw/zinc/13/02/15/674130215.db2.gz DIDVOSIYKMKIPO-UHFFFAOYSA-N -1 1 367.810 2.452 20 0 FEADMM Cc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000073935362 542016055 /nfs/dbraw/zinc/01/60/55/542016055.db2.gz MDSDFWVYKWEJKY-UHFFFAOYSA-N -1 1 350.256 2.002 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)o1 ZINC000073898702 542013324 /nfs/dbraw/zinc/01/33/24/542013324.db2.gz DLFGGGCNKCCXNM-QMMMGPOBSA-N -1 1 355.441 2.021 20 0 FEADMM CCO[C@@H](CCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000074291086 542064868 /nfs/dbraw/zinc/06/48/68/542064868.db2.gz MYAPDNVWXGEUMU-KRWDZBQOSA-N -1 1 372.469 2.250 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cc(C(C)C)no2)c(=O)[n-]1 ZINC000074670585 542110723 /nfs/dbraw/zinc/11/07/23/542110723.db2.gz KRCMSBJTEQAYKH-UHFFFAOYSA-N -1 1 350.444 2.161 20 0 FEADMM O=C([O-])[C@@]1(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCSC1 ZINC000551420908 674144067 /nfs/dbraw/zinc/14/40/67/674144067.db2.gz QZXKFMUAEQXBBU-CQSZACIVSA-N -1 1 356.810 2.110 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2c1=O ZINC000551474913 674146669 /nfs/dbraw/zinc/14/66/69/674146669.db2.gz HZTTXHRFFLJDTE-UHFFFAOYSA-N -1 1 356.403 2.370 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)c(C)c1 ZINC000079307844 542511581 /nfs/dbraw/zinc/51/15/81/542511581.db2.gz PVBBQYSMZNFSHM-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2ccc(-c3cccnc3)cc2)n1 ZINC000080577695 542595632 /nfs/dbraw/zinc/59/56/32/542595632.db2.gz FEYIPFVOXVILKJ-UHFFFAOYSA-N -1 1 350.382 2.374 20 0 FEADMM CCCOC(=O)CC[N-]S(=O)(=O)c1sccc1Br ZINC000081062463 542628361 /nfs/dbraw/zinc/62/83/61/542628361.db2.gz NVHLDMWBXFMYKZ-UHFFFAOYSA-N -1 1 356.263 2.132 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)ccc1F ZINC000105591581 543177697 /nfs/dbraw/zinc/17/76/97/543177697.db2.gz URYRQJZYDLYRSB-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM COCCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C)noc1C ZINC000156297777 545615631 /nfs/dbraw/zinc/61/56/31/545615631.db2.gz JCZOCOKEJFDOIH-UHFFFAOYSA-N -1 1 368.455 2.494 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000108462470 543290811 /nfs/dbraw/zinc/29/08/11/543290811.db2.gz CUOHLAUVGBICNL-UHFFFAOYSA-N -1 1 370.457 2.143 20 0 FEADMM COc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)cn1 ZINC000109588968 543328007 /nfs/dbraw/zinc/32/80/07/543328007.db2.gz KQEFERSMRJUPJR-SECBINFHSA-N -1 1 366.424 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC[C@H]2CCCO2)n1 ZINC000552008076 674181315 /nfs/dbraw/zinc/18/13/15/674181315.db2.gz FPNYBWOZHPVJRD-OLZOCXBDSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC[C@H]2CCCO2)n[n-]1 ZINC000552008076 674181311 /nfs/dbraw/zinc/18/13/11/674181311.db2.gz FPNYBWOZHPVJRD-OLZOCXBDSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC[C@H]2CCCO2)[n-]1 ZINC000552008076 674181314 /nfs/dbraw/zinc/18/13/14/674181314.db2.gz FPNYBWOZHPVJRD-OLZOCXBDSA-N -1 1 352.435 2.144 20 0 FEADMM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc21 ZINC000115970072 543594933 /nfs/dbraw/zinc/59/49/33/543594933.db2.gz NOQCBHJQMGEASD-UHFFFAOYSA-N -1 1 373.434 2.418 20 0 FEADMM C[C@@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000123254751 543750971 /nfs/dbraw/zinc/75/09/71/543750971.db2.gz KRSWCFMIICPSHE-KBXCAEBGSA-N -1 1 370.449 2.285 20 0 FEADMM COc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1OC1CCCC1 ZINC000124357022 543816705 /nfs/dbraw/zinc/81/67/05/543816705.db2.gz XWEFBHDMLPCTTJ-LBPRGKRZSA-N -1 1 359.430 2.405 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000124116544 543801582 /nfs/dbraw/zinc/80/15/82/543801582.db2.gz FJCUXBPZAGLZKE-JTQLQIEISA-N -1 1 360.418 2.262 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)c(F)c1 ZINC000125960528 543911310 /nfs/dbraw/zinc/91/13/10/543911310.db2.gz HSEWJBXUPCXTKJ-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM C[C@H](CCCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000126201735 543923597 /nfs/dbraw/zinc/92/35/97/543923597.db2.gz XKVFFGJZKNSKIZ-SSDOTTSWSA-N -1 1 358.204 2.167 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2F)co1 ZINC000126208513 543923961 /nfs/dbraw/zinc/92/39/61/543923961.db2.gz WBRSKRGAEAGQGS-UHFFFAOYSA-N -1 1 354.403 2.034 20 0 FEADMM O=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1n[n-]c(C2CC2)n1 ZINC000127133134 543974664 /nfs/dbraw/zinc/97/46/64/543974664.db2.gz ALDIHPYNHJHJFP-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM C[C@@H](O)C[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000127191065 543977622 /nfs/dbraw/zinc/97/76/22/543977622.db2.gz BTYLHOPLBFDFIH-HIFRSBDPSA-N -1 1 351.406 2.208 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1C[C@H]1c1ccco1 ZINC000130508715 544153958 /nfs/dbraw/zinc/15/39/58/544153958.db2.gz GGXOLTVUQXJBPY-CHWSQXEVSA-N -1 1 362.407 2.168 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCC[C@H]2CCCC[C@H]2O)c(=O)[n-]1 ZINC000134449515 544308326 /nfs/dbraw/zinc/30/83/26/544308326.db2.gz KLCAQJUCELFHSX-UKRRQHHQSA-N -1 1 367.515 2.180 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COc1cccc(Cl)c1C ZINC000134947370 544329103 /nfs/dbraw/zinc/32/91/03/544329103.db2.gz IUFZFHDDEPLFGM-UHFFFAOYSA-N -1 1 374.828 2.296 20 0 FEADMM CC[C@@H](C)n1c(SCC(=O)Nc2nnn[n-]2)nnc1-c1ccccc1 ZINC000135472351 544348592 /nfs/dbraw/zinc/34/85/92/544348592.db2.gz ZXACIWQMFLWQAE-SNVBAGLBSA-N -1 1 358.431 2.160 20 0 FEADMM CC[C@@H](C)n1c(SCC(=O)Nc2nn[n-]n2)nnc1-c1ccccc1 ZINC000135472351 544348593 /nfs/dbraw/zinc/34/85/93/544348593.db2.gz ZXACIWQMFLWQAE-SNVBAGLBSA-N -1 1 358.431 2.160 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1)c1nn[n-]n1 ZINC000136642622 544375873 /nfs/dbraw/zinc/37/58/73/544375873.db2.gz CSHPAUKBIFLHKJ-XJKSGUPXSA-N -1 1 359.430 2.146 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)c1nn[n-]n1 ZINC000136642542 544376097 /nfs/dbraw/zinc/37/60/97/544376097.db2.gz CSHPAUKBIFLHKJ-CZUORRHYSA-N -1 1 359.430 2.146 20 0 FEADMM CCC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1nn[n-]n1 ZINC000136726633 544378186 /nfs/dbraw/zinc/37/81/86/544378186.db2.gz WSZNKPIAGZDMEL-CYBMUJFWSA-N -1 1 359.459 2.141 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)o1 ZINC000142482826 544417175 /nfs/dbraw/zinc/41/71/75/544417175.db2.gz ZSXASCWEWWPSMZ-UHFFFAOYSA-N -1 1 374.422 2.447 20 0 FEADMM CCC(CC)N(CCOC)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000147238658 544445971 /nfs/dbraw/zinc/44/59/71/544445971.db2.gz KRPSOBCJUGGSMH-UHFFFAOYSA-N -1 1 372.469 2.346 20 0 FEADMM C[C@H](CO)[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000151177143 544513654 /nfs/dbraw/zinc/51/36/54/544513654.db2.gz XGGMWSSHFVWYAD-KGLIPLIRSA-N -1 1 362.451 2.234 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)Cc2ccc(O)cc2)c(=O)[n-]1 ZINC000151925706 544596414 /nfs/dbraw/zinc/59/64/14/544596414.db2.gz YWLQTCUAVKYQLN-LLVKDONJSA-N -1 1 361.467 2.186 20 0 FEADMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000153150792 544738946 /nfs/dbraw/zinc/73/89/46/544738946.db2.gz XGCZVNHWNNVOHW-NSHDSACASA-N -1 1 368.315 2.029 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)c1 ZINC000153949948 544844383 /nfs/dbraw/zinc/84/43/83/544844383.db2.gz GWEANAMMFKOSKX-AWEZNQCLSA-N -1 1 352.412 2.179 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)co1 ZINC000154464322 544910174 /nfs/dbraw/zinc/91/01/74/544910174.db2.gz LNYIZDJOANUPLD-DGCLKSJQSA-N -1 1 352.412 2.394 20 0 FEADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ncon1 ZINC000154476758 544910914 /nfs/dbraw/zinc/91/09/14/544910914.db2.gz KJEAAMMGGDDGEG-LBPRGKRZSA-N -1 1 372.406 2.361 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccn(C)c2C2CCC2)c1 ZINC000552503872 674212428 /nfs/dbraw/zinc/21/24/28/674212428.db2.gz UHUZZSSBPRBZGF-UHFFFAOYSA-N -1 1 363.439 2.159 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000552847306 674227409 /nfs/dbraw/zinc/22/74/09/674227409.db2.gz SEQSXISQJHTYSB-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM COc1cc(NC(=O)N2CCC(C)(OC)CC2)ccc1[N-]S(C)(=O)=O ZINC000552977326 674232028 /nfs/dbraw/zinc/23/20/28/674232028.db2.gz JSSOJTYUHVGONR-UHFFFAOYSA-N -1 1 371.459 2.100 20 0 FEADMM COc1cc(C(=O)NCC2(S(C)(=O)=O)CCCC2)cc(Cl)c1[O-] ZINC000553572458 674272107 /nfs/dbraw/zinc/27/21/07/674272107.db2.gz BEABANYXQBCDOQ-UHFFFAOYSA-N -1 1 361.847 2.141 20 0 FEADMM CN(C)C(=O)C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000179164899 327629213 /nfs/dbraw/zinc/62/92/13/327629213.db2.gz QRWKTPKHWWPZMM-UHFFFAOYSA-N -1 1 355.232 2.095 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ncccc3Cl)ccc21 ZINC000180195534 327675961 /nfs/dbraw/zinc/67/59/61/327675961.db2.gz SKBLNQGMILTECR-UHFFFAOYSA-N -1 1 351.815 2.445 20 0 FEADMM C[C@H](O)[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000181009551 327712163 /nfs/dbraw/zinc/71/21/63/327712163.db2.gz ZVCRQMZMHNKTPQ-GOEBONIOSA-N -1 1 374.462 2.330 20 0 FEADMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000183317845 327811719 /nfs/dbraw/zinc/81/17/19/327811719.db2.gz WXMDPZGPWBJDPD-JGVFFNPUSA-N -1 1 370.290 2.377 20 0 FEADMM Cc1oc(C)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c1C(=O)[O-] ZINC000185124465 327901077 /nfs/dbraw/zinc/90/10/77/327901077.db2.gz FMZOCCBMSFNXAJ-CQSZACIVSA-N -1 1 370.471 2.234 20 0 FEADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(N)=O ZINC000187860858 328051018 /nfs/dbraw/zinc/05/10/18/328051018.db2.gz ZXSGQDZJOYHJNU-SNVBAGLBSA-N -1 1 357.234 2.311 20 0 FEADMM O=C(NCC1(CCO)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000187957032 328056262 /nfs/dbraw/zinc/05/62/62/328056262.db2.gz LCQOBNCXAPEIFA-UHFFFAOYSA-N -1 1 374.462 2.380 20 0 FEADMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188121602 328067509 /nfs/dbraw/zinc/06/75/09/328067509.db2.gz MQDJJKOYVUWUJU-UHFFFAOYSA-N -1 1 357.234 2.183 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1CO ZINC000189491871 328151435 /nfs/dbraw/zinc/15/14/35/328151435.db2.gz NKOYSIINGZYTSV-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC=C(C)C)c(Br)o1 ZINC000190244259 328196228 /nfs/dbraw/zinc/19/62/28/328196228.db2.gz HLRKVTZCQXOLRZ-UHFFFAOYSA-N -1 1 352.206 2.073 20 0 FEADMM O=C(NC[C@@H]1CC[C@H](O)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000191211660 328254278 /nfs/dbraw/zinc/25/42/78/328254278.db2.gz OEXIAMWUKIVWJZ-PBHICJAKSA-N -1 1 374.462 2.378 20 0 FEADMM CC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000191414062 328264810 /nfs/dbraw/zinc/26/48/10/328264810.db2.gz JGDPWBUPBPWVAJ-CYBMUJFWSA-N -1 1 355.232 2.070 20 0 FEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000192131057 328301494 /nfs/dbraw/zinc/30/14/94/328301494.db2.gz FAUKDGSLVNQUTG-UHFFFAOYSA-N -1 1 361.288 2.181 20 0 FEADMM COc1ccccc1-n1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cn1 ZINC000192131348 328301526 /nfs/dbraw/zinc/30/15/26/328301526.db2.gz FQVHHFLPWAAGPR-UHFFFAOYSA-N -1 1 367.324 2.060 20 0 FEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2csc(Br)c2C)C1=O ZINC000193144216 328359608 /nfs/dbraw/zinc/35/96/08/328359608.db2.gz FHOULYGQTPPFMS-GFCCVEGCSA-N -1 1 360.233 2.184 20 0 FEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194667200 328434747 /nfs/dbraw/zinc/43/47/47/328434747.db2.gz XLDRHYLWGXMICS-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1F ZINC000032592291 324478013 /nfs/dbraw/zinc/47/80/13/324478013.db2.gz SDCRKESPTNBQTJ-UHFFFAOYSA-N -1 1 362.386 2.275 20 0 FEADMM Cc1cc(NC(=O)c2ccc(I)c([O-])c2)n(C)n1 ZINC000230889438 328487103 /nfs/dbraw/zinc/48/71/03/328487103.db2.gz FKVJKHGGYSWHJY-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM O=C(NCc1ccccn1)c1ccc(I)c([O-])c1 ZINC000230885346 328487105 /nfs/dbraw/zinc/48/71/05/328487105.db2.gz KXNCZPBIDRIACB-UHFFFAOYSA-N -1 1 354.147 2.322 20 0 FEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1cn[nH]c1 ZINC000230904045 328487462 /nfs/dbraw/zinc/48/74/62/328487462.db2.gz IOGISJCMTQSPFG-SSDOTTSWSA-N -1 1 357.151 2.211 20 0 FEADMM Cc1csc(=O)n1CCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315716 324776172 /nfs/dbraw/zinc/77/61/72/324776172.db2.gz XZQZQMAXKFMMIG-UHFFFAOYSA-N -1 1 374.462 2.435 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3nnco3)cc2)c(=O)[n-]1 ZINC000058291782 324835327 /nfs/dbraw/zinc/83/53/27/324835327.db2.gz LXFATIKZJBPZNK-UHFFFAOYSA-N -1 1 371.422 2.422 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1cc(F)ccc1F ZINC000077137652 324977597 /nfs/dbraw/zinc/97/75/97/324977597.db2.gz BFJMNQFAULUMQR-LBPRGKRZSA-N -1 1 358.366 2.347 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000078809812 325063267 /nfs/dbraw/zinc/06/32/67/325063267.db2.gz FYHLOYSVXJCIJV-UHFFFAOYSA-N -1 1 365.437 2.492 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1SCCc2ccccc21 ZINC000080285665 325126672 /nfs/dbraw/zinc/12/66/72/325126672.db2.gz YHNNGNUBTNBWQU-GOSISDBHSA-N -1 1 368.462 2.286 20 0 FEADMM CC(C)n1c(CNC(=O)Nc2ccc(-n3ccnn3)cc2)n[n-]c1=S ZINC000085581581 325255739 /nfs/dbraw/zinc/25/57/39/325255739.db2.gz DSNZDUQDFXPFET-UHFFFAOYSA-N -1 1 358.431 2.424 20 0 FEADMM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2c(C)noc2CC)c1 ZINC000089447968 325316748 /nfs/dbraw/zinc/31/67/48/325316748.db2.gz YNWQJYKJLNYTNU-UHFFFAOYSA-N -1 1 355.391 2.235 20 0 FEADMM CCn1c(CCNC(=O)C[C@@H](O)c2ccc(Cl)cc2)n[n-]c1=S ZINC000091444250 325386680 /nfs/dbraw/zinc/38/66/80/325386680.db2.gz GVDBJBDYTBILLV-GFCCVEGCSA-N -1 1 354.863 2.396 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CCCOc1ccccc1 ZINC000104143676 325533614 /nfs/dbraw/zinc/53/36/14/325533614.db2.gz YFQXUOPTXWMONK-UHFFFAOYSA-N -1 1 368.437 2.109 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000105388568 325566334 /nfs/dbraw/zinc/56/63/34/325566334.db2.gz HWSNWVJPUKODDJ-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)NCc1ccco1 ZINC000109324432 325665145 /nfs/dbraw/zinc/66/51/45/325665145.db2.gz IIMDWZBJGSJGER-VIFPVBQESA-N -1 1 367.199 2.182 20 0 FEADMM Cc1ccccc1[C@@H](O)CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000112396307 325778178 /nfs/dbraw/zinc/77/81/78/325778178.db2.gz LRRVLDGQAZYRIR-KRWDZBQOSA-N -1 1 368.437 2.143 20 0 FEADMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1=O ZINC000114743598 325919972 /nfs/dbraw/zinc/91/99/72/325919972.db2.gz KGILYVKWGLQRLP-ZETCQYMHSA-N -1 1 357.284 2.343 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000118377431 326089734 /nfs/dbraw/zinc/08/97/34/326089734.db2.gz GDGAAWITZXZYMZ-QWHCGFSZSA-N -1 1 358.467 2.035 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCN(c3ccccc3)CC1)c2=O ZINC000119168533 326133517 /nfs/dbraw/zinc/13/35/17/326133517.db2.gz JKUUWBQNIALZBW-UHFFFAOYSA-N -1 1 351.410 2.026 20 0 FEADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1c([O-])cccc1F ZINC000119245897 326141162 /nfs/dbraw/zinc/14/11/62/326141162.db2.gz WNSTZSBOSILAJX-ZDUSSCGKSA-N -1 1 350.415 2.396 20 0 FEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119310815 326148582 /nfs/dbraw/zinc/14/85/82/326148582.db2.gz KADJOIFIMVMKQI-KPHLJTLVSA-N -1 1 372.450 2.245 20 0 FEADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@@H](c2ccsc2)O1 ZINC000119348392 326152712 /nfs/dbraw/zinc/15/27/12/326152712.db2.gz WHCWGBQKJNCLSC-HZMBPMFUSA-N -1 1 358.423 2.338 20 0 FEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119363092 326153787 /nfs/dbraw/zinc/15/37/87/326153787.db2.gz SBAVOWVQWIVLHP-UHFFFAOYSA-N -1 1 362.393 2.336 20 0 FEADMM Cc1ccn(-c2ccccc2CNC(=O)c2c[n-]c3c(cnn3C)c2=O)n1 ZINC000119376434 326154861 /nfs/dbraw/zinc/15/48/61/326154861.db2.gz WWIQBDRHJKABOF-UHFFFAOYSA-N -1 1 362.393 2.098 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCN(c3ccc(Cl)cc3)C1)c2=O ZINC000119487964 326167893 /nfs/dbraw/zinc/16/78/93/326167893.db2.gz LAMWTOWVEAOWGW-GFCCVEGCSA-N -1 1 371.828 2.336 20 0 FEADMM CN1C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000119617604 326181347 /nfs/dbraw/zinc/18/13/47/326181347.db2.gz MMHSIEOPVFYOMC-UHFFFAOYSA-N -1 1 350.783 2.367 20 0 FEADMM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1cc(Cl)sc1Cl ZINC000120182445 326238808 /nfs/dbraw/zinc/23/88/08/326238808.db2.gz MZSRTOQWKBTHAS-LLVKDONJSA-N -1 1 360.284 2.122 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCO)c2)c1 ZINC000120367726 326252999 /nfs/dbraw/zinc/25/29/99/326252999.db2.gz UFDADCBPCFGETR-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCC(C)C)c2)co1 ZINC000120798248 326289051 /nfs/dbraw/zinc/28/90/51/326289051.db2.gz AUBCMZFVPVBOGL-UHFFFAOYSA-N -1 1 352.412 2.475 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C[C@H](C)O ZINC000120831928 326291592 /nfs/dbraw/zinc/29/15/92/326291592.db2.gz VKTTVBZJUZSMLK-SFYZADRCSA-N -1 1 372.231 2.413 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)cc1C ZINC000122782864 326408707 /nfs/dbraw/zinc/40/87/07/326408707.db2.gz RXWXWIPPXWEQML-UHFFFAOYSA-N -1 1 360.435 2.433 20 0 FEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2C1=O ZINC000122809188 326409892 /nfs/dbraw/zinc/40/98/92/326409892.db2.gz OPXYFJPQIVISEV-UHFFFAOYSA-N -1 1 352.362 2.394 20 0 FEADMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000123576638 326436477 /nfs/dbraw/zinc/43/64/77/326436477.db2.gz TYNNNGSOFWYRRN-ZDUSSCGKSA-N -1 1 351.827 2.486 20 0 FEADMM C[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127218571 326502278 /nfs/dbraw/zinc/50/22/78/326502278.db2.gz QCAYIFFUYHFZKT-DYVFJYSZSA-N -1 1 356.422 2.037 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)c(F)cc1F ZINC000153020607 326721967 /nfs/dbraw/zinc/72/19/67/326721967.db2.gz CQWGDAJKLMTGBJ-OTYXRUKQSA-N -1 1 367.414 2.437 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2NC(C)C)co1 ZINC000153068270 326723201 /nfs/dbraw/zinc/72/32/01/326723201.db2.gz ZBVMNSYTIUMOPO-UHFFFAOYSA-N -1 1 355.391 2.399 20 0 FEADMM Cc1cccc(OC2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000153310166 326729669 /nfs/dbraw/zinc/72/96/69/326729669.db2.gz PLJJVNOILAJYJI-UHFFFAOYSA-N -1 1 364.405 2.310 20 0 FEADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000153538263 326735454 /nfs/dbraw/zinc/73/54/54/326735454.db2.gz LIXHUBWTOKUSTR-HNNXBMFYSA-N -1 1 350.440 2.281 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1 ZINC000154480499 326761211 /nfs/dbraw/zinc/76/12/11/326761211.db2.gz UCMGIVJPAGEXMJ-UPJWGTAASA-N -1 1 370.471 2.044 20 0 FEADMM CCCCCS(=O)(=O)CC(=O)Nc1nc(Br)ccc1[O-] ZINC000156348136 326827543 /nfs/dbraw/zinc/82/75/43/326827543.db2.gz VEJKHDCHPPQOBX-UHFFFAOYSA-N -1 1 365.249 2.093 20 0 FEADMM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000159230699 326923665 /nfs/dbraw/zinc/92/36/65/326923665.db2.gz WTPAOFOCKOFMDM-QMMMGPOBSA-N -1 1 362.300 2.367 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)co1 ZINC000162419350 327025409 /nfs/dbraw/zinc/02/54/09/327025409.db2.gz YLLMVMSFKCFGBK-NSHDSACASA-N -1 1 352.412 2.030 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4ncon4)cc3)ccc21 ZINC000171014165 327112616 /nfs/dbraw/zinc/11/26/16/327112616.db2.gz DGPCCBBYGOVFSR-UHFFFAOYSA-N -1 1 370.390 2.056 20 0 FEADMM O=C(c1ncccc1[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000171098419 327117721 /nfs/dbraw/zinc/11/77/21/327117721.db2.gz OPLQTIJFSWUGRW-UHFFFAOYSA-N -1 1 351.366 2.252 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000171235428 327126442 /nfs/dbraw/zinc/12/64/42/327126442.db2.gz LZCBEFCQARWRMT-UHFFFAOYSA-N -1 1 354.435 2.355 20 0 FEADMM Cc1ccc([C@@H](O)CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000171253230 327127840 /nfs/dbraw/zinc/12/78/40/327127840.db2.gz ULSCRWCVMXKACW-KRWDZBQOSA-N -1 1 368.437 2.143 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1OC(F)F ZINC000172124202 327182261 /nfs/dbraw/zinc/18/22/61/327182261.db2.gz FFOSJDQADNBHAY-UHFFFAOYSA-N -1 1 356.350 2.496 20 0 FEADMM CCc1nc2cc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)ccc2o1 ZINC000172635072 327212982 /nfs/dbraw/zinc/21/29/82/327212982.db2.gz LRAZQCSPEDMBEF-UHFFFAOYSA-N -1 1 365.349 2.288 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)o1 ZINC000173656954 327274303 /nfs/dbraw/zinc/27/43/03/327274303.db2.gz RJLRVGMMSCCOQG-SNVBAGLBSA-N -1 1 372.830 2.038 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000174377243 327323357 /nfs/dbraw/zinc/32/33/57/327323357.db2.gz WSLOKENDPLYCNF-WMLDXEAASA-N -1 1 352.438 2.474 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)CCc1cccn1C ZINC000174429992 327326610 /nfs/dbraw/zinc/32/66/10/327326610.db2.gz LEZAYYQSZBATIJ-ZDUSSCGKSA-N -1 1 369.469 2.460 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@](C)(O)CCC(C)C)c(=O)[n-]1 ZINC000174473396 327329129 /nfs/dbraw/zinc/32/91/29/327329129.db2.gz JONIEPCFCXEAQY-QGZVFWFLSA-N -1 1 355.504 2.036 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174515927 327332011 /nfs/dbraw/zinc/33/20/11/327332011.db2.gz DXPYNPJALMJAGT-INIZCTEOSA-N -1 1 372.469 2.132 20 0 FEADMM COC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(C)o1 ZINC000174617772 327338984 /nfs/dbraw/zinc/33/89/84/327338984.db2.gz ARQOFNZNQRHPDK-HNNXBMFYSA-N -1 1 372.425 2.390 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000174961532 327364086 /nfs/dbraw/zinc/36/40/86/327364086.db2.gz OUORIJHYKIXTQU-UHFFFAOYSA-N -1 1 369.469 2.301 20 0 FEADMM CN(C)Cc1ccnc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000174990583 327366161 /nfs/dbraw/zinc/36/61/61/327366161.db2.gz DZCHOGFGNQLHRV-UHFFFAOYSA-N -1 1 355.373 2.426 20 0 FEADMM CC(=O)Nc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000174998637 327366811 /nfs/dbraw/zinc/36/68/11/327366811.db2.gz SFXILUDJNCHVKC-UHFFFAOYSA-N -1 1 356.426 2.264 20 0 FEADMM COc1cc(C(=O)N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)ccc1C ZINC000175199698 327379559 /nfs/dbraw/zinc/37/95/59/327379559.db2.gz GWYMBAYTUFRUOC-UHFFFAOYSA-N -1 1 372.396 2.447 20 0 FEADMM CO[C@@]1(C)C[C@@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000175213437 327380218 /nfs/dbraw/zinc/38/02/18/327380218.db2.gz CFPSFFQJFDEJES-ACJLOTCBSA-N -1 1 367.515 2.395 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(C)o1 ZINC000175348658 327388364 /nfs/dbraw/zinc/38/83/64/327388364.db2.gz WSXIIKZLVRIYDM-INIZCTEOSA-N -1 1 361.423 2.440 20 0 FEADMM COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000175381837 327389876 /nfs/dbraw/zinc/38/98/76/327389876.db2.gz AWFHFCXSXRUJJV-AWEZNQCLSA-N -1 1 356.422 2.255 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000176686706 327470153 /nfs/dbraw/zinc/47/01/53/327470153.db2.gz LCUSNUJDDMADLL-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM O=c1cc(CSc2nnnn2C2CCOCC2)c2ccc([O-])cc2o1 ZINC000264407466 329019414 /nfs/dbraw/zinc/01/94/14/329019414.db2.gz XNGCPGRJLDBTBJ-UHFFFAOYSA-N -1 1 360.395 2.129 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@](C)(O)c2ccsc2)c(=O)[n-]1 ZINC000265958793 329176569 /nfs/dbraw/zinc/17/65/69/329176569.db2.gz WWFFDUUJTCKGQT-MRXNPFEDSA-N -1 1 367.496 2.231 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H]1O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000266242302 329203885 /nfs/dbraw/zinc/20/38/85/329203885.db2.gz MMHOGRNSXUZCSV-MAUKXSAKSA-N -1 1 374.462 2.378 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H]1O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000266385106 329217629 /nfs/dbraw/zinc/21/76/29/329217629.db2.gz UQNRPTLPKICHTO-MAUKXSAKSA-N -1 1 374.462 2.378 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000266582678 329238575 /nfs/dbraw/zinc/23/85/75/329238575.db2.gz RFLSOJJZXXJURU-UWJYYQICSA-N -1 1 362.433 2.160 20 0 FEADMM CCN(CCNC(=O)c1c(C)[n-]c(=O)nc1SC)C(=O)OC(C)(C)C ZINC000266989533 329280577 /nfs/dbraw/zinc/28/05/77/329280577.db2.gz URLKVMOXUQGYGH-UHFFFAOYSA-N -1 1 370.475 2.199 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000267033559 329285009 /nfs/dbraw/zinc/28/50/09/329285009.db2.gz LOBQOTMWZODRER-CYBMUJFWSA-N -1 1 353.396 2.107 20 0 FEADMM C[C@H](O)CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000267253447 329307388 /nfs/dbraw/zinc/30/73/88/329307388.db2.gz VHAYDAIRLMDZBI-AWEZNQCLSA-N -1 1 362.451 2.330 20 0 FEADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000268133289 329388687 /nfs/dbraw/zinc/38/86/87/329388687.db2.gz IXCBSBOZTOJDQU-GWCFXTLKSA-N -1 1 361.471 2.021 20 0 FEADMM CCC[C@@H](NC(=O)COc1ccc(F)cc1Br)c1nn[n-]n1 ZINC000268191711 329395043 /nfs/dbraw/zinc/39/50/43/329395043.db2.gz NDDQDRPVAOIZTH-SNVBAGLBSA-N -1 1 372.198 2.138 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000268423878 329418243 /nfs/dbraw/zinc/41/82/43/329418243.db2.gz DICDNCUKWKXEHM-JTQLQIEISA-N -1 1 351.453 2.488 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@H](C)[C@H]1C ZINC000268922969 329468615 /nfs/dbraw/zinc/46/86/15/329468615.db2.gz XENKGJMMCFFSAF-ZIAGYGMSSA-N -1 1 356.426 2.121 20 0 FEADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)CCOCCOC)cc1 ZINC000269974257 329565059 /nfs/dbraw/zinc/56/50/59/329565059.db2.gz PBAIRULWVDUHHA-UHFFFAOYSA-N -1 1 372.487 2.010 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@]1(C)CCCO ZINC000271394315 329690430 /nfs/dbraw/zinc/69/04/30/329690430.db2.gz ULMUNBQLINXNRK-FQEVSTJZSA-N -1 1 370.453 2.249 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COC2(CCCC2)O1)c1cc(F)c(F)cc1F ZINC000271472180 329696411 /nfs/dbraw/zinc/69/64/11/329696411.db2.gz WDLLTKYFOUTQTC-SECBINFHSA-N -1 1 351.346 2.068 20 0 FEADMM O=S(=O)([N-]C[C@H]1COC2(CCCC2)O1)c1cc(F)c(F)cc1F ZINC000271472182 329696574 /nfs/dbraw/zinc/69/65/74/329696574.db2.gz WDLLTKYFOUTQTC-VIFPVBQESA-N -1 1 351.346 2.068 20 0 FEADMM CCOc1cc(C(=O)N2CCC(CNC(C)=O)CC2)cc(Cl)c1[O-] ZINC000273946399 329904407 /nfs/dbraw/zinc/90/44/07/329904407.db2.gz LFOPOANIKSYUEB-UHFFFAOYSA-N -1 1 354.834 2.433 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000274151816 329920594 /nfs/dbraw/zinc/92/05/94/329920594.db2.gz DSKKRDTYMYWPAO-ZFWWWQNUSA-N -1 1 365.407 2.265 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000274759561 329977654 /nfs/dbraw/zinc/97/76/54/329977654.db2.gz OKUDLDFRDSELOL-LBPRGKRZSA-N -1 1 370.833 2.411 20 0 FEADMM CC(C)Cn1cnc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000275067888 330007200 /nfs/dbraw/zinc/00/72/00/330007200.db2.gz VWZZFJSUUNEYSK-UHFFFAOYSA-N -1 1 359.354 2.316 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(CCO)C1CCC1 ZINC000275834251 330094335 /nfs/dbraw/zinc/09/43/35/330094335.db2.gz CSZQCXFDWLTTDA-UHFFFAOYSA-N -1 1 374.462 2.474 20 0 FEADMM CN(CCCCO)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000276516853 330160370 /nfs/dbraw/zinc/16/03/70/330160370.db2.gz XEHBOYGQHLOELI-UHFFFAOYSA-N -1 1 364.320 2.348 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n[nH]c1-c1ccncc1 ZINC000367215814 330231421 /nfs/dbraw/zinc/23/14/21/330231421.db2.gz NGXSYEVDIFSSMV-UHFFFAOYSA-N -1 1 370.390 2.251 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccncc2)cn1 ZINC000373646006 330248025 /nfs/dbraw/zinc/24/80/25/330248025.db2.gz VCAVBGPNAXBQFL-UHFFFAOYSA-N -1 1 359.411 2.375 20 0 FEADMM COC(=O)N1CCC(CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000804685671 674297014 /nfs/dbraw/zinc/29/70/14/674297014.db2.gz JSYMSEBLEWHCBQ-UHFFFAOYSA-N -1 1 371.231 2.363 20 0 FEADMM O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000804709827 674298094 /nfs/dbraw/zinc/29/80/94/674298094.db2.gz SPEWEYFUQPRHOD-NSHDSACASA-N -1 1 352.740 2.039 20 0 FEADMM O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cncc([O-])c1 ZINC000554141799 674305371 /nfs/dbraw/zinc/30/53/71/674305371.db2.gz KKZGGFJECCZWID-CYBMUJFWSA-N -1 1 355.163 2.152 20 0 FEADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000805080913 674317521 /nfs/dbraw/zinc/31/75/21/674317521.db2.gz NYIHPOMRPDIZNZ-NSHDSACASA-N -1 1 368.768 2.359 20 0 FEADMM CS[C@H](C)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805225373 674326650 /nfs/dbraw/zinc/32/66/50/674326650.db2.gz GNSXRXHLJXGPHS-VLEAKVRGSA-N -1 1 355.426 2.225 20 0 FEADMM O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(Br)c([O-])c1 ZINC000554813693 674337496 /nfs/dbraw/zinc/33/74/96/674337496.db2.gz USIRZRFZNJAVOD-VXGBXAGGSA-N -1 1 353.216 2.038 20 0 FEADMM CC1CCN(C(=O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000805786504 674354137 /nfs/dbraw/zinc/35/41/37/674354137.db2.gz XMVBSLSOZGWDBZ-YDHLFZDLSA-N -1 1 363.424 2.022 20 0 FEADMM C[C@H]1CSC[C@@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000397944055 558625356 /nfs/dbraw/zinc/62/53/56/558625356.db2.gz RQODWRWUUAQGDU-XVKPBYJWSA-N -1 1 363.220 2.478 20 0 FEADMM CC(C)c1nn(C)c2sc(C(=O)Nc3nc(SCCO)n[n-]3)cc12 ZINC000155380542 545519486 /nfs/dbraw/zinc/51/94/86/545519486.db2.gz JFYFJTLAKZODIK-UHFFFAOYSA-N -1 1 366.472 2.213 20 0 FEADMM O=C(Cc1cccc(OC(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155575957 545544377 /nfs/dbraw/zinc/54/43/77/545544377.db2.gz BLPFTRZRZFVQOW-LLVKDONJSA-N -1 1 355.320 2.047 20 0 FEADMM O=C(CCCOc1ccc2c(c1)CCC2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155644547 545553014 /nfs/dbraw/zinc/55/30/14/545553014.db2.gz SNHILLQFJFFHBJ-MRXNPFEDSA-N -1 1 355.442 2.254 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000155899186 545581940 /nfs/dbraw/zinc/58/19/40/545581940.db2.gz OLANZNPXVDSINW-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)[n-]1 ZINC000155899186 545581942 /nfs/dbraw/zinc/58/19/42/545581942.db2.gz OLANZNPXVDSINW-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM CC(=O)N1CCC[C@H](CNC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000477302797 561141634 /nfs/dbraw/zinc/14/16/34/561141634.db2.gz OKFSCFCQYTZJMX-LLVKDONJSA-N -1 1 355.232 2.143 20 0 FEADMM C[C@]1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCOC1 ZINC000156640529 545641797 /nfs/dbraw/zinc/64/17/97/545641797.db2.gz WGFCOVNXOLQKRU-SFHVURJKSA-N -1 1 360.435 2.396 20 0 FEADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc2ncccc2c1 ZINC000477400896 561143972 /nfs/dbraw/zinc/14/39/72/561143972.db2.gz CTBJNWZADFPNNE-UHFFFAOYSA-N -1 1 374.443 2.365 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000156879830 545672359 /nfs/dbraw/zinc/67/23/59/545672359.db2.gz ARARLYXRWSZZGU-UHFFFAOYSA-N -1 1 363.377 2.476 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000477430671 561144790 /nfs/dbraw/zinc/14/47/90/561144790.db2.gz IACSLGUUJOCCNR-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM Cc1ccncc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000477927346 561156569 /nfs/dbraw/zinc/15/65/69/561156569.db2.gz AKNVFASQGAWBII-UHFFFAOYSA-N -1 1 365.455 2.332 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)c1 ZINC000158240168 545837771 /nfs/dbraw/zinc/83/77/71/545837771.db2.gz CRFVSJMLFWJPAH-UHFFFAOYSA-N -1 1 360.435 2.453 20 0 FEADMM CN1C(=O)C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@H]1c1ccc(F)cc1 ZINC000158659726 545882539 /nfs/dbraw/zinc/88/25/39/545882539.db2.gz ICTVLWKRLVJGMZ-GXSJLCMTSA-N -1 1 371.294 2.121 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCCO1 ZINC000158844291 545899856 /nfs/dbraw/zinc/89/98/56/545899856.db2.gz JSQPFMXKKWWAPD-UHFFFAOYSA-N -1 1 350.371 2.404 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(OCc2ccncc2)cc1)c1nn[n-]n1 ZINC000478584018 561170262 /nfs/dbraw/zinc/17/02/62/561170262.db2.gz JYLHTRZJTJJOJL-CYBMUJFWSA-N -1 1 352.398 2.049 20 0 FEADMM O=S(=O)([N-]C1(C(F)(F)F)CCC1)c1cnn(CC(F)(F)F)c1 ZINC000479137933 561182405 /nfs/dbraw/zinc/18/24/05/561182405.db2.gz XFFJYZPHCMIAII-UHFFFAOYSA-N -1 1 351.272 2.209 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4ncon4)cc3)ccc2N1 ZINC000171014201 546185462 /nfs/dbraw/zinc/18/54/62/546185462.db2.gz KIPYAIGXHSRREU-UHFFFAOYSA-N -1 1 356.363 2.032 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)o1 ZINC000479197330 561184260 /nfs/dbraw/zinc/18/42/60/561184260.db2.gz UKEJHRPXIOAQAE-LLVKDONJSA-N -1 1 371.386 2.341 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)o1 ZINC000479203994 561184452 /nfs/dbraw/zinc/18/44/52/561184452.db2.gz IABLHMWEVQTAGA-GFCCVEGCSA-N -1 1 365.407 2.301 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](COC)c2ccc(F)cc2)o1 ZINC000479245457 561185797 /nfs/dbraw/zinc/18/57/97/561185797.db2.gz RFYSCHSCEXOXEO-ZDUSSCGKSA-N -1 1 371.386 2.261 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(OCC(F)(F)F)cc1 ZINC000479305496 561186966 /nfs/dbraw/zinc/18/69/66/561186966.db2.gz WDDMCAPJXHQTLL-UHFFFAOYSA-N -1 1 369.299 2.097 20 0 FEADMM CCOc1cccc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)n1 ZINC000479663002 561194323 /nfs/dbraw/zinc/19/43/23/561194323.db2.gz ROQFTDHRSLFBBJ-UHFFFAOYSA-N -1 1 358.423 2.163 20 0 FEADMM CCOc1cccc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)n1 ZINC000479663002 561194324 /nfs/dbraw/zinc/19/43/24/561194324.db2.gz ROQFTDHRSLFBBJ-UHFFFAOYSA-N -1 1 358.423 2.163 20 0 FEADMM CCOc1cccc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)n1 ZINC000479663002 561194325 /nfs/dbraw/zinc/19/43/25/561194325.db2.gz ROQFTDHRSLFBBJ-UHFFFAOYSA-N -1 1 358.423 2.163 20 0 FEADMM CCCCCOC1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000480012186 561201232 /nfs/dbraw/zinc/20/12/32/561201232.db2.gz HRVZTWQLZXUTRI-UHFFFAOYSA-N -1 1 372.487 2.388 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000176042198 546394087 /nfs/dbraw/zinc/39/40/87/546394087.db2.gz HVBKKDZPAFJISO-SNVBAGLBSA-N -1 1 368.437 2.361 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000176320602 546431807 /nfs/dbraw/zinc/43/18/07/546431807.db2.gz BRTITVUPXNVFHK-ZDUSSCGKSA-N -1 1 358.467 2.199 20 0 FEADMM CNC(=O)[C@H](C)C[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000176365714 546436566 /nfs/dbraw/zinc/43/65/66/546436566.db2.gz ICHWYXVMWFQFEY-SNVBAGLBSA-N -1 1 360.439 2.059 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2ccccc2C)c2c1CCC2)c1nn[n-]n1 ZINC000176750170 546483602 /nfs/dbraw/zinc/48/36/02/546483602.db2.gz CCHWPUUYPBFAHY-CQSZACIVSA-N -1 1 365.441 2.454 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000480674069 561214149 /nfs/dbraw/zinc/21/41/49/561214149.db2.gz WRWSCALPDFZUBR-CZUORRHYSA-N -1 1 365.407 2.122 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000177201863 546568180 /nfs/dbraw/zinc/56/81/80/546568180.db2.gz QFXNTSORXPSICR-CHWSQXEVSA-N -1 1 352.438 2.490 20 0 FEADMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1sccc1Br ZINC000177518609 546634699 /nfs/dbraw/zinc/63/46/99/546634699.db2.gz PQADMGAGMDBBRW-MRVPVSSYSA-N -1 1 370.290 2.377 20 0 FEADMM COc1c(F)cc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1F ZINC000481469467 561233364 /nfs/dbraw/zinc/23/33/64/561233364.db2.gz UNHWBDRIARMMGZ-UHFFFAOYSA-N -1 1 372.349 2.438 20 0 FEADMM O=S(=O)(Cc1ccon1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481496857 561234151 /nfs/dbraw/zinc/23/41/51/561234151.db2.gz UOIBNXKRZYTNNB-LLVKDONJSA-N -1 1 351.211 2.134 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C1CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000481596262 561236946 /nfs/dbraw/zinc/23/69/46/561236946.db2.gz ISUXDLPRSIADHM-JTQLQIEISA-N -1 1 372.245 2.198 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1COCCN1CC1CCC1 ZINC000481602657 561237121 /nfs/dbraw/zinc/23/71/21/561237121.db2.gz YIZAWIZEAKMSDH-QGZVFWFLSA-N -1 1 356.426 2.222 20 0 FEADMM O=C(N[C@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000179043321 546890496 /nfs/dbraw/zinc/89/04/96/546890496.db2.gz OXXPOFGGJIEKRN-HNNXBMFYSA-N -1 1 364.398 2.145 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC2)cc1 ZINC000179050953 546891803 /nfs/dbraw/zinc/89/18/03/546891803.db2.gz GIKRTAZMIRJEDR-OAHLLOKOSA-N -1 1 360.435 2.315 20 0 FEADMM NC(=O)c1cccc(CCNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000179163010 546908481 /nfs/dbraw/zinc/90/84/81/546908481.db2.gz YUELVGMNOXFALU-UHFFFAOYSA-N -1 1 363.211 2.226 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](CO)C3)c2)cc1 ZINC000179703007 547001029 /nfs/dbraw/zinc/00/10/29/547001029.db2.gz WEDIIJGVOKNAON-OAHLLOKOSA-N -1 1 374.462 2.250 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1F ZINC000181687453 547360176 /nfs/dbraw/zinc/36/01/76/547360176.db2.gz HOQYWHMLCGRLAC-UHFFFAOYSA-N -1 1 374.340 2.369 20 0 FEADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3ccc(-n4cccn4)c(F)c3)cnc1-2 ZINC000181810561 547384637 /nfs/dbraw/zinc/38/46/37/547384637.db2.gz AMYWDMSYJUBBBG-UHFFFAOYSA-N -1 1 352.329 2.251 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(Br)ccc1Cl)c1nn[n-]n1 ZINC000183408703 547652780 /nfs/dbraw/zinc/65/27/80/547652780.db2.gz CBUZRNRNGWVFPG-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM C[C@H](CN(C)C(=O)C=Cc1ccccc1Br)c1nn[n-]n1 ZINC000183440433 547658927 /nfs/dbraw/zinc/65/89/27/547658927.db2.gz XCFHRDBYGVCIBB-QROSGCPLSA-N -1 1 350.220 2.238 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000484649357 561302395 /nfs/dbraw/zinc/30/23/95/561302395.db2.gz ZMGXLIUHRGHMDK-NSHDSACASA-N -1 1 362.407 2.353 20 0 FEADMM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000184400467 547820928 /nfs/dbraw/zinc/82/09/28/547820928.db2.gz OIVLESVKHOQWOJ-GFCCVEGCSA-N -1 1 356.825 2.369 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC000485108601 561312719 /nfs/dbraw/zinc/31/27/19/561312719.db2.gz YTKJSSOMGJOVTR-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4n[nH]cc4c3)cc3c2N1CCC3 ZINC000184893444 547894544 /nfs/dbraw/zinc/89/45/44/547894544.db2.gz XATYWEFAZLIZJP-UHFFFAOYSA-N -1 1 368.418 2.199 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)n[nH]1 ZINC000185290983 547965203 /nfs/dbraw/zinc/96/52/03/547965203.db2.gz MWJFSDDYJBYSPH-UHFFFAOYSA-N -1 1 352.347 2.008 20 0 FEADMM COCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(F)F ZINC000485922627 561332419 /nfs/dbraw/zinc/33/24/19/561332419.db2.gz JRYRKXGOVLVNSZ-UHFFFAOYSA-N -1 1 374.203 2.018 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)o1 ZINC000485894389 561331569 /nfs/dbraw/zinc/33/15/69/561331569.db2.gz KDYYDZLXUUJOCP-UHFFFAOYSA-N -1 1 366.370 2.208 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(-c4ccncc4)n[nH]3)cc12 ZINC000186615772 548159798 /nfs/dbraw/zinc/15/97/98/548159798.db2.gz JQIIUHJLJLBSQC-UHFFFAOYSA-N -1 1 370.394 2.371 20 0 FEADMM CCOc1cc(C(=O)NCCN2CCOCC2(C)C)cc(Cl)c1[O-] ZINC000186777916 548189780 /nfs/dbraw/zinc/18/97/80/548189780.db2.gz OSDWWTSWXLSJCO-UHFFFAOYSA-N -1 1 356.850 2.285 20 0 FEADMM COc1cc(NC(=O)c2ncc(C)cc2OC)ccc1[N-]S(C)(=O)=O ZINC000486030493 561335940 /nfs/dbraw/zinc/33/59/40/561335940.db2.gz CPWLKZAENLBGLP-UHFFFAOYSA-N -1 1 365.411 2.031 20 0 FEADMM O=c1cc(C=Cc2cccc(I)c2)nc2[n-]cnn21 ZINC000486125036 561338640 /nfs/dbraw/zinc/33/86/40/561338640.db2.gz LQJLYAMEAIGZOV-PLNGDYQASA-N -1 1 364.146 2.193 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000486448562 561347280 /nfs/dbraw/zinc/34/72/80/561347280.db2.gz VHUPFGJTKMCQIB-INIZCTEOSA-N -1 1 369.421 2.062 20 0 FEADMM COCc1nnc(S(=O)(=O)[C@H](C)c2cccc(Br)c2)[n-]1 ZINC000486603790 561352036 /nfs/dbraw/zinc/35/20/36/561352036.db2.gz NAGDGACURHODJM-MRVPVSSYSA-N -1 1 360.233 2.249 20 0 FEADMM COCc1nc(S(=O)(=O)[C@H](C)c2cccc(Br)c2)n[n-]1 ZINC000486603790 561352037 /nfs/dbraw/zinc/35/20/37/561352037.db2.gz NAGDGACURHODJM-MRVPVSSYSA-N -1 1 360.233 2.249 20 0 FEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000194548249 548497815 /nfs/dbraw/zinc/49/78/15/548497815.db2.gz NQSAAFXYJSUTTC-UHFFFAOYSA-N -1 1 357.819 2.262 20 0 FEADMM CCN(CC)C(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195114485 548579895 /nfs/dbraw/zinc/57/98/95/548579895.db2.gz CHZPYDFYXSVRDL-SNVBAGLBSA-N -1 1 370.862 2.156 20 0 FEADMM CCN(CC)C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195114485 548579899 /nfs/dbraw/zinc/57/98/99/548579899.db2.gz CHZPYDFYXSVRDL-SNVBAGLBSA-N -1 1 370.862 2.156 20 0 FEADMM CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195128682 548581332 /nfs/dbraw/zinc/58/13/32/548581332.db2.gz PQWOPBBOVLIFHD-SNVBAGLBSA-N -1 1 368.434 2.078 20 0 FEADMM CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195128682 548581337 /nfs/dbraw/zinc/58/13/37/548581337.db2.gz PQWOPBBOVLIFHD-SNVBAGLBSA-N -1 1 368.434 2.078 20 0 FEADMM CCc1nc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)cs1 ZINC000195160614 548587412 /nfs/dbraw/zinc/58/74/12/548587412.db2.gz SUUGYUXDCSVKPE-UHFFFAOYSA-N -1 1 354.482 2.450 20 0 FEADMM CCc1nc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)cs1 ZINC000195160614 548587416 /nfs/dbraw/zinc/58/74/16/548587416.db2.gz SUUGYUXDCSVKPE-UHFFFAOYSA-N -1 1 354.482 2.450 20 0 FEADMM CCOC1CC(CNC(=O)c2ccc(Cl)cc2[O-])(N2CCOCC2)C1 ZINC000195188031 548593247 /nfs/dbraw/zinc/59/32/47/548593247.db2.gz MKAMCIDGVUPUST-UHFFFAOYSA-N -1 1 368.861 2.045 20 0 FEADMM COC[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000219857708 548696312 /nfs/dbraw/zinc/69/63/12/548696312.db2.gz XQRRXGYQZGRTSD-MRVPVSSYSA-N -1 1 362.662 2.323 20 0 FEADMM CCC[C@](C)(O)CNC(=O)c1cc(I)ccc1[O-] ZINC000224926009 548730233 /nfs/dbraw/zinc/73/02/33/548730233.db2.gz DJZDJROHZJTSTL-ZDUSSCGKSA-N -1 1 363.195 2.278 20 0 FEADMM COC[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000230895722 548761106 /nfs/dbraw/zinc/76/11/06/548761106.db2.gz OEBYOHFDNGCKLE-VIFPVBQESA-N -1 1 361.179 2.105 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)n[nH]2)cc1 ZINC000237701007 548845768 /nfs/dbraw/zinc/84/57/68/548845768.db2.gz QKHQJZDWESDBAN-OAHLLOKOSA-N -1 1 357.410 2.481 20 0 FEADMM C[C@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000487837754 561377046 /nfs/dbraw/zinc/37/70/46/561377046.db2.gz OFCSMUPGPJZLID-GFCCVEGCSA-N -1 1 365.455 2.112 20 0 FEADMM Cc1ncc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cn1 ZINC000488247141 561386818 /nfs/dbraw/zinc/38/68/18/561386818.db2.gz HCLZKCGADDJDMI-UHFFFAOYSA-N -1 1 350.382 2.222 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000246742012 549201699 /nfs/dbraw/zinc/20/16/99/549201699.db2.gz WOYFZWYJPVZWHF-IDFMNXDXSA-N -1 1 351.440 2.323 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000248432136 549436034 /nfs/dbraw/zinc/43/60/34/549436034.db2.gz VJECDCQEUSDLQT-USWWRNFRSA-N -1 1 369.347 2.464 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000248886595 549522048 /nfs/dbraw/zinc/52/20/48/549522048.db2.gz QTSWNLHZHIYZTD-VXGBXAGGSA-N -1 1 374.890 2.437 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000489578901 561414605 /nfs/dbraw/zinc/41/46/05/561414605.db2.gz FPRZEBOLAJXMJS-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C)c1C)c1ccc2ccccc2c1 ZINC000489636765 561416092 /nfs/dbraw/zinc/41/60/92/561416092.db2.gz YIKLROBYHIGYTI-QGZVFWFLSA-N -1 1 373.434 2.074 20 0 FEADMM CCCNS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000489662856 561416427 /nfs/dbraw/zinc/41/64/27/561416427.db2.gz SADDUXIJPAZQHT-NSHDSACASA-N -1 1 355.243 2.042 20 0 FEADMM Cc1ccc(-n2c(SCc3nn[n-]n3)nnc2-c2ccccn2)cc1 ZINC000489688348 561417104 /nfs/dbraw/zinc/41/71/04/561417104.db2.gz ZROUTWLVLIIFJC-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM CC(=O)NCC[C@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000489915493 561422381 /nfs/dbraw/zinc/42/23/81/561422381.db2.gz FZFRSMBTEJFUIB-CQSZACIVSA-N -1 1 362.474 2.167 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](CCNC(C)=O)C2)cc(Cl)c1[O-] ZINC000489931214 561422589 /nfs/dbraw/zinc/42/25/89/561422589.db2.gz XGUGVXZLCKXMDU-GFCCVEGCSA-N -1 1 354.834 2.433 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000261792925 549755835 /nfs/dbraw/zinc/75/58/35/549755835.db2.gz DALPOJVIBKCAMO-GXTWGEPZSA-N -1 1 354.472 2.092 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000261880361 549766095 /nfs/dbraw/zinc/76/60/95/549766095.db2.gz TZSHMOXGHAXUON-GXTWGEPZSA-N -1 1 354.472 2.092 20 0 FEADMM O=C([O-])c1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000263364251 549897742 /nfs/dbraw/zinc/89/77/42/549897742.db2.gz VMDHRJYCAGRQIQ-IBGZPJMESA-N -1 1 368.433 2.406 20 0 FEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000263435272 549901261 /nfs/dbraw/zinc/90/12/61/549901261.db2.gz ZSIYMHWYOOVJTM-CABCVRRESA-N -1 1 356.426 2.042 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(CSCCO)ccn2)c1 ZINC000491549261 561446293 /nfs/dbraw/zinc/44/62/93/561446293.db2.gz GOBIYCRAGURYDB-UHFFFAOYSA-N -1 1 361.423 2.223 20 0 FEADMM CC[C@H](O)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000268655654 550099635 /nfs/dbraw/zinc/09/96/35/550099635.db2.gz CDNRXXISSCQHSN-INIZCTEOSA-N -1 1 362.451 2.378 20 0 FEADMM CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000269028860 550146197 /nfs/dbraw/zinc/14/61/97/550146197.db2.gz LQBCMEXORKIFKU-LBPRGKRZSA-N -1 1 354.378 2.496 20 0 FEADMM COCC[N@H+]1CCCN(C(=O)c2cnc3c(C)cc(F)cc3c2O)CC1 ZINC000269323742 550180989 /nfs/dbraw/zinc/18/09/89/550180989.db2.gz MIRCRSQZPOLAHR-UHFFFAOYSA-N -1 1 361.417 2.182 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2Cl)c1C ZINC000269937136 550237835 /nfs/dbraw/zinc/23/78/35/550237835.db2.gz YRBOTHORORFIAE-UHFFFAOYSA-N -1 1 370.862 2.334 20 0 FEADMM COC(=O)[C@@]1([N-]S(=O)(=O)/C=C/c2ccccc2Cl)CCSC1 ZINC000270245961 550256031 /nfs/dbraw/zinc/25/60/31/550256031.db2.gz MJIQOUJTUIJJQL-VIIAAUOXSA-N -1 1 361.872 2.279 20 0 FEADMM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[nH]1 ZINC000272144586 550425372 /nfs/dbraw/zinc/42/53/72/550425372.db2.gz KQQXHNNRBVSLHD-ZCFIWIBFSA-N -1 1 350.231 2.108 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C(=O)OC)C1 ZINC000272645026 550462572 /nfs/dbraw/zinc/46/25/72/550462572.db2.gz GFNOFTXKMGIXAQ-HOCLYGCPSA-N -1 1 371.389 2.112 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2scnc2C(=O)OC)n[nH]1 ZINC000273178810 550488566 /nfs/dbraw/zinc/48/85/66/550488566.db2.gz GSTYUKZHEQSAPW-QMMMGPOBSA-N -1 1 358.445 2.357 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)o1 ZINC000274520186 550541750 /nfs/dbraw/zinc/54/17/50/550541750.db2.gz BARWILRZXABUKL-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cn1 ZINC000274761259 550552522 /nfs/dbraw/zinc/55/25/22/550552522.db2.gz GYIDDQURQPRYTC-GTNSWQLSSA-N -1 1 366.439 2.005 20 0 FEADMM CCCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cn1 ZINC000274905939 550563732 /nfs/dbraw/zinc/56/37/32/550563732.db2.gz WBVJGUAKEHQVJO-UHFFFAOYSA-N -1 1 353.400 2.014 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)[n-]1 ZINC000274917382 550564746 /nfs/dbraw/zinc/56/47/46/550564746.db2.gz LYOLGNYJEHTVGG-SECBINFHSA-N -1 1 365.411 2.291 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)n1 ZINC000274917382 550564748 /nfs/dbraw/zinc/56/47/48/550564748.db2.gz LYOLGNYJEHTVGG-SECBINFHSA-N -1 1 365.411 2.291 20 0 FEADMM CCOC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)C ZINC000276916017 550610488 /nfs/dbraw/zinc/61/04/88/550610488.db2.gz RXLIWIVLTJNGET-INIZCTEOSA-N -1 1 358.442 2.272 20 0 FEADMM COC(=O)C1=C(C)O[C@H](CSc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000277491099 550676886 /nfs/dbraw/zinc/67/68/86/550676886.db2.gz CRHDHEGMWAELRM-LBPRGKRZSA-N -1 1 366.439 2.392 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000494887914 561478564 /nfs/dbraw/zinc/47/85/64/561478564.db2.gz WGYDCNCAIBKSSZ-UHFFFAOYSA-N -1 1 359.813 2.347 20 0 FEADMM Cn1cc([C@@H]2CN(C(=O)c3ccc4ccccc4c3[O-])C[C@H]2CO)cn1 ZINC000278202164 550760213 /nfs/dbraw/zinc/76/02/13/550760213.db2.gz SHFFJRHXCBEQLY-YJBOKZPZSA-N -1 1 351.406 2.127 20 0 FEADMM Cc1nnc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)s1 ZINC000278209670 550761152 /nfs/dbraw/zinc/76/11/52/550761152.db2.gz OVCGCFFBZCGBPJ-UHFFFAOYSA-N -1 1 361.452 2.094 20 0 FEADMM Cc1nnc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)s1 ZINC000278209670 550761154 /nfs/dbraw/zinc/76/11/54/550761154.db2.gz OVCGCFFBZCGBPJ-UHFFFAOYSA-N -1 1 361.452 2.094 20 0 FEADMM O=C(CN1CCC(Oc2ncccc2F)CC1)[N-]OCc1ccccc1 ZINC000278339583 550775007 /nfs/dbraw/zinc/77/50/07/550775007.db2.gz PENKFGHKGDTROI-UHFFFAOYSA-N -1 1 359.401 2.312 20 0 FEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)cc1 ZINC000278464996 550789550 /nfs/dbraw/zinc/78/95/50/550789550.db2.gz FYLBWSITNDPHAL-UHFFFAOYSA-N -1 1 370.456 2.034 20 0 FEADMM COC(=O)c1c[n-]c(SCc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 ZINC000278690192 550811664 /nfs/dbraw/zinc/81/16/64/550811664.db2.gz PVYFLKSUVUFAAE-UHFFFAOYSA-N -1 1 364.379 2.062 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N(C)CCCOc2ccccc2)n1 ZINC000278692791 550811855 /nfs/dbraw/zinc/81/18/55/550811855.db2.gz QDVWGMPDBMIEFA-UHFFFAOYSA-N -1 1 363.439 2.216 20 0 FEADMM C[C@@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@H](c2ccccc2)O1 ZINC000279285102 550873611 /nfs/dbraw/zinc/87/36/11/550873611.db2.gz KMGNKPZHYLRERD-YFDXMOCNSA-N -1 1 351.410 2.336 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N(Cc3ccccc3)CC(C)(C)O)ccnc1-2 ZINC000279431645 550889570 /nfs/dbraw/zinc/88/95/70/550889570.db2.gz UKKOIVPNIALIKO-JWGURIENSA-N -1 1 353.426 2.147 20 0 FEADMM COc1ccc([C@@H]2[C@@H](C(=O)[N-]OCCSC)CCC(=O)N2C)cc1 ZINC000279878494 550938590 /nfs/dbraw/zinc/93/85/90/550938590.db2.gz DYHGXIPJDLQPDL-GOEBONIOSA-N -1 1 352.456 2.016 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CS[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000280933205 551047112 /nfs/dbraw/zinc/04/71/12/551047112.db2.gz IHBPEYJJOCLCSO-NSHDSACASA-N -1 1 353.440 2.415 20 0 FEADMM O=C(NC[C@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000281066887 551060004 /nfs/dbraw/zinc/06/00/04/551060004.db2.gz ZIGYXMCNKMUMDF-QGZVFWFLSA-N -1 1 366.417 2.386 20 0 FEADMM CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCO1 ZINC000281638747 551124078 /nfs/dbraw/zinc/12/40/78/551124078.db2.gz NCOOBYDGYIGCFH-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM COc1cncc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c1 ZINC000281728451 551135927 /nfs/dbraw/zinc/13/59/27/551135927.db2.gz DLJAKAINMTYHHW-UHFFFAOYSA-N -1 1 350.396 2.298 20 0 FEADMM CCn1nc(C)c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C ZINC000281737457 551137497 /nfs/dbraw/zinc/13/74/97/551137497.db2.gz OLZUSUSBLLYHAQ-UHFFFAOYSA-N -1 1 360.380 2.051 20 0 FEADMM C[C@]1(C(=O)[N-]OC[C@H]2CCOC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000281945140 551160958 /nfs/dbraw/zinc/16/09/58/551160958.db2.gz SHBBXENFMGDUFO-LPHOPBHVSA-N -1 1 362.426 2.120 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](C)OC)ccc1Br ZINC000282153335 551187800 /nfs/dbraw/zinc/18/78/00/551187800.db2.gz FXFVDAQBPVUOOC-MRVPVSSYSA-N -1 1 366.233 2.012 20 0 FEADMM O=C(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282804245 551272269 /nfs/dbraw/zinc/27/22/69/551272269.db2.gz ARAKFSDPTNQCSX-SNVBAGLBSA-N -1 1 356.304 2.016 20 0 FEADMM Cc1cc(C(=O)CCC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(C)s1 ZINC000282858988 551278953 /nfs/dbraw/zinc/27/89/53/551278953.db2.gz HGKSKNIIVXXUEA-GFCCVEGCSA-N -1 1 362.455 2.145 20 0 FEADMM C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282919677 551285366 /nfs/dbraw/zinc/28/53/66/551285366.db2.gz NSLXTYPZDIUCKE-UKRRQHHQSA-N -1 1 366.421 2.425 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282931130 551286591 /nfs/dbraw/zinc/28/65/91/551286591.db2.gz OSDUSNNKZSDCPE-SNVBAGLBSA-N -1 1 365.231 2.189 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H](N2CCCC2=O)C1 ZINC000283042130 551302076 /nfs/dbraw/zinc/30/20/76/551302076.db2.gz PLLUZJGVCUXWCQ-LBPRGKRZSA-N -1 1 359.813 2.431 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000283044834 551302412 /nfs/dbraw/zinc/30/24/12/551302412.db2.gz ZRZCHSDDADUPAD-OAHLLOKOSA-N -1 1 358.442 2.082 20 0 FEADMM C[C@H](O)C[C@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000283435418 551365498 /nfs/dbraw/zinc/36/54/98/551365498.db2.gz MYUJKUZGXXFYQV-SWLSCSKDSA-N -1 1 356.451 2.303 20 0 FEADMM C[C@H](O)C[C@@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000283435421 551365667 /nfs/dbraw/zinc/36/56/67/551365667.db2.gz MYUJKUZGXXFYQV-WFASDCNBSA-N -1 1 356.451 2.303 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1OC ZINC000283842529 551436546 /nfs/dbraw/zinc/43/65/46/551436546.db2.gz ANALQXNFHQDFLC-UHFFFAOYSA-N -1 1 369.296 2.386 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000498008381 561513772 /nfs/dbraw/zinc/51/37/72/561513772.db2.gz HYIBVOWPZGURMF-UHFFFAOYSA-N -1 1 360.420 2.105 20 0 FEADMM CCOC1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000284162791 551495508 /nfs/dbraw/zinc/49/55/08/551495508.db2.gz FQRRSVHMXQHPAD-UHFFFAOYSA-N -1 1 356.444 2.355 20 0 FEADMM CCc1ccc2c(C[N@@H+]3CCC[C@@H](c4n[nH]c(=O)o4)C3)cc(=O)oc2c1 ZINC000284411516 551543468 /nfs/dbraw/zinc/54/34/68/551543468.db2.gz XFEYMZSIOCAUQL-CYBMUJFWSA-N -1 1 355.394 2.411 20 0 FEADMM C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284428651 551547457 /nfs/dbraw/zinc/54/74/57/551547457.db2.gz YKMKCXWPMPUBAD-QWHCGFSZSA-N -1 1 367.409 2.118 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000285046556 551696252 /nfs/dbraw/zinc/69/62/52/551696252.db2.gz JQEOLYAMXLQYOA-UHFFFAOYSA-N -1 1 350.400 2.050 20 0 FEADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000285408016 551751379 /nfs/dbraw/zinc/75/13/79/551751379.db2.gz ZXLQEBKAFFOVSQ-LLVKDONJSA-N -1 1 366.487 2.089 20 0 FEADMM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000285485608 551763820 /nfs/dbraw/zinc/76/38/20/551763820.db2.gz DDRPKZWANJCNOF-BDAKNGLRSA-N -1 1 354.291 2.462 20 0 FEADMM CC(C)c1nc([C@H](C)NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])n[nH]1 ZINC000285753718 551805594 /nfs/dbraw/zinc/80/55/94/551805594.db2.gz UXNGHGQWHZHOHE-JTQLQIEISA-N -1 1 358.377 2.450 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)cc(Cl)c1[O-] ZINC000285904985 551825684 /nfs/dbraw/zinc/82/56/84/551825684.db2.gz KQPKCNSYOPHZCX-QGZVFWFLSA-N -1 1 355.818 2.466 20 0 FEADMM CSc1n[nH]c(NC(=O)c2ccc(I)cc2)n1 ZINC000499041571 561541901 /nfs/dbraw/zinc/54/19/01/561541901.db2.gz CRUNTIUBVBWNIN-UHFFFAOYSA-N -1 1 360.180 2.384 20 0 FEADMM CCOC1CC2(C1)CCN(C(=O)CCc1c(C)nc3cc(=O)[n-]n3c1C)C2 ZINC000286786929 551925956 /nfs/dbraw/zinc/92/59/56/551925956.db2.gz VHEXAENGPGYEGQ-UHFFFAOYSA-N -1 1 372.469 2.402 20 0 FEADMM COc1cccc(C(C)(C)CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287035007 551954348 /nfs/dbraw/zinc/95/43/48/551954348.db2.gz FHRJOELQHXEKQZ-KQWNVCNZSA-N -1 1 353.426 2.450 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Nc3ccccc3O[C@H]3CCOC3)ccnc1-2 ZINC000287157784 551970725 /nfs/dbraw/zinc/97/07/25/551970725.db2.gz MFVCXSCTCFDJAA-NBMDANRKSA-N -1 1 353.382 2.154 20 0 FEADMM CC(C)C[C@@H](NC(=O)C(=O)/N=c1\ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000287277751 551984116 /nfs/dbraw/zinc/98/41/16/551984116.db2.gz BSQZTHQKYIVBCU-BXDFRRGMSA-N -1 1 365.437 2.184 20 0 FEADMM O=C([N-]CC1CCN(C(=O)Nc2cc3n(n2)CCCC3)CC1)C(F)(F)F ZINC000287380674 551996801 /nfs/dbraw/zinc/99/68/01/551996801.db2.gz OOWAXAGRCFYRCS-UHFFFAOYSA-N -1 1 373.379 2.142 20 0 FEADMM COc1ccc(C[C@@H](C)CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287724389 552038523 /nfs/dbraw/zinc/03/85/23/552038523.db2.gz STOFOXMKVUIUQQ-JBWVZOQYSA-N -1 1 353.426 2.351 20 0 FEADMM CN(c1ccccc1)C1CCN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000287764355 552043535 /nfs/dbraw/zinc/04/35/35/552043535.db2.gz VUWDHXGDCKDHED-NKFKGCMQSA-N -1 1 364.453 2.475 20 0 FEADMM CCCN(CC(C)C)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000499671481 561555767 /nfs/dbraw/zinc/55/57/67/561555767.db2.gz UQTXOXWGHBUKDZ-UHFFFAOYSA-N -1 1 364.490 2.154 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)co1 ZINC000288302703 552128842 /nfs/dbraw/zinc/12/88/42/552128842.db2.gz JIBLIONQWBLIOU-CYBMUJFWSA-N -1 1 354.453 2.473 20 0 FEADMM O=S(=O)(Cc1ccccc1Cl)[N-][C@@H]1COc2ccccc2[C@@H]1O ZINC000288309598 552130555 /nfs/dbraw/zinc/13/05/55/552130555.db2.gz DSUMUUWQQPLISA-ZBFHGGJFSA-N -1 1 353.827 2.254 20 0 FEADMM COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)c2ccc(O)cc2)CC1 ZINC000288539961 552171376 /nfs/dbraw/zinc/17/13/76/552171376.db2.gz QCZNMJMFJHOOLT-UHFFFAOYSA-N -1 1 362.470 2.172 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cn1C ZINC000499849857 561559904 /nfs/dbraw/zinc/55/99/04/561559904.db2.gz RGHJOVCCNOJZFY-UHFFFAOYSA-N -1 1 366.377 2.408 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000288640966 552190524 /nfs/dbraw/zinc/19/05/24/552190524.db2.gz AHTRWRQQEDDGBI-SSDOTTSWSA-N -1 1 355.338 2.139 20 0 FEADMM Cn1ccc2c([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cccc2c1=O ZINC000500128429 561566689 /nfs/dbraw/zinc/56/66/89/561566689.db2.gz HAHDSKRCQHMPMS-UHFFFAOYSA-N -1 1 356.403 2.274 20 0 FEADMM CC(C)CC1(CNC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCCC1 ZINC000288869063 552227747 /nfs/dbraw/zinc/22/77/47/552227747.db2.gz QUTXQJWAQSERCG-HAHDFKILSA-N -1 1 357.458 2.003 20 0 FEADMM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1ccc(F)c(F)c1F ZINC000289072070 552261786 /nfs/dbraw/zinc/26/17/86/552261786.db2.gz FQTADAHTKFLBIT-GFCCVEGCSA-N -1 1 353.362 2.316 20 0 FEADMM O=C([C@H]1CC=CC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1)N1CCOCC1 ZINC000289126569 552269840 /nfs/dbraw/zinc/26/98/40/552269840.db2.gz QTQIWURMKHVZGA-KGLIPLIRSA-N -1 1 373.384 2.490 20 0 FEADMM CCc1c(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)ccn1C ZINC000289363053 552307702 /nfs/dbraw/zinc/30/77/02/552307702.db2.gz AIRXAEBZPBPTNX-UHFFFAOYSA-N -1 1 351.428 2.220 20 0 FEADMM Cn1ccc(N2CCC[C@@H](Sc3nc(C(F)F)cc(=O)[n-]3)C2=O)n1 ZINC000289632839 552353002 /nfs/dbraw/zinc/35/30/02/552353002.db2.gz WAASNBUKDVNASK-SECBINFHSA-N -1 1 355.370 2.141 20 0 FEADMM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N(C)C ZINC000289914089 552398503 /nfs/dbraw/zinc/39/85/03/552398503.db2.gz UGWPXEWJHJMBGP-ZDUSSCGKSA-N -1 1 368.484 2.223 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)o1 ZINC000290033872 552417389 /nfs/dbraw/zinc/41/73/89/552417389.db2.gz ZDODSPBPTJLZFI-ZDUSSCGKSA-N -1 1 373.452 2.166 20 0 FEADMM COCc1nc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cs1 ZINC000290152968 552435708 /nfs/dbraw/zinc/43/57/08/552435708.db2.gz NTYBCQOFIYGOIX-UHFFFAOYSA-N -1 1 352.359 2.185 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@@]3(C)OCCc4sccc43)ccnc1-2 ZINC000290678913 552518044 /nfs/dbraw/zinc/51/80/44/552518044.db2.gz LUQPMYWAEQWRTD-OJSPLJLUSA-N -1 1 357.439 2.013 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccn1 ZINC000290794839 552539343 /nfs/dbraw/zinc/53/93/43/552539343.db2.gz UZNAKCMSZGYZCC-JTQLQIEISA-N -1 1 360.336 2.013 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N(Cc3cccc(O)c3)CC3CC3)ccnc1-2 ZINC000290858496 552551331 /nfs/dbraw/zinc/55/13/31/552551331.db2.gz ZZICJVAHNFCADQ-XLNRJJMWSA-N -1 1 351.410 2.492 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1OC ZINC000290944424 552566537 /nfs/dbraw/zinc/56/65/37/552566537.db2.gz LWPCBVIGUNOQHS-UHFFFAOYSA-N -1 1 351.306 2.247 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@H]3CCN(c4ccccc4F)C3)ccnc1-2 ZINC000291220348 552601868 /nfs/dbraw/zinc/60/18/68/552601868.db2.gz CCMAUTBWWBDOJM-UHOOPTBMSA-N -1 1 368.416 2.129 20 0 FEADMM C[C@@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)c1cccc(Br)c1 ZINC000291617631 552643702 /nfs/dbraw/zinc/64/37/02/552643702.db2.gz GPDARCJJUHWZEW-VHSXEESVSA-N -1 1 352.236 2.328 20 0 FEADMM Cc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)nc(N2CCCC2)n1 ZINC000291826410 552665811 /nfs/dbraw/zinc/66/58/11/552665811.db2.gz FMZKAMMSQLCLDF-UHFFFAOYSA-N -1 1 368.409 2.142 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000291890242 552671942 /nfs/dbraw/zinc/67/19/42/552671942.db2.gz IBDVCHWAVFLDAI-BEFAXECRSA-N -1 1 372.446 2.143 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000291890265 552672005 /nfs/dbraw/zinc/67/20/05/552672005.db2.gz IBKHNNBKUURWDO-UHFFFAOYSA-N -1 1 360.435 2.361 20 0 FEADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000291901397 552673280 /nfs/dbraw/zinc/67/32/80/552673280.db2.gz QPCQIBOGPULGPK-UHFFFAOYSA-N -1 1 365.411 2.021 20 0 FEADMM C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000291918075 552674887 /nfs/dbraw/zinc/67/48/87/552674887.db2.gz MYALJHWXANLHQF-LBPRGKRZSA-N -1 1 370.446 2.019 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000292135814 552697251 /nfs/dbraw/zinc/69/72/51/552697251.db2.gz YICMEMHHVVSZCG-UHFFFAOYSA-N -1 1 371.337 2.363 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000292379664 552721517 /nfs/dbraw/zinc/72/15/17/552721517.db2.gz YJEQHTNCVLFRKA-UHFFFAOYSA-N -1 1 366.464 2.493 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000292787136 552758428 /nfs/dbraw/zinc/75/84/28/552758428.db2.gz XPCPWENQLZLRDC-JTQLQIEISA-N -1 1 353.304 2.205 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1c(F)cncc1F ZINC000293177989 552796459 /nfs/dbraw/zinc/79/64/59/552796459.db2.gz SHIIMWKZBSTLGR-ZCFIWIBFSA-N -1 1 370.303 2.152 20 0 FEADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000293719990 552850123 /nfs/dbraw/zinc/85/01/23/552850123.db2.gz PKMLHLQJQMPOTH-GHMZBOCLSA-N -1 1 361.421 2.205 20 0 FEADMM CC1=C(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)SCCO1 ZINC000293917246 552867719 /nfs/dbraw/zinc/86/77/19/552867719.db2.gz PBEVAEVDEMICOZ-PSASIEDQSA-N -1 1 352.378 2.039 20 0 FEADMM O=C(CCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccc(Cl)cc1 ZINC000294277559 552893263 /nfs/dbraw/zinc/89/32/63/552893263.db2.gz GKLRCSGJIWGMAM-LBPRGKRZSA-N -1 1 362.817 2.121 20 0 FEADMM Cc1ccc(Br)c(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000294431548 552905684 /nfs/dbraw/zinc/90/56/84/552905684.db2.gz OYKDAKUFLUZOLW-SNVBAGLBSA-N -1 1 365.231 2.189 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@]2(O)CCCC2(C)C)c(=O)[n-]1 ZINC000294597223 552918994 /nfs/dbraw/zinc/91/89/94/552918994.db2.gz ZFHMSSKFZZHXLR-KRWDZBQOSA-N -1 1 353.488 2.203 20 0 FEADMM COc1ccc(COCCCNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000294789073 552934523 /nfs/dbraw/zinc/93/45/23/552934523.db2.gz DFIRSMMROBBGIP-UHFFFAOYSA-N -1 1 372.450 2.363 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)[nH]n1 ZINC000295170703 552965868 /nfs/dbraw/zinc/96/58/68/552965868.db2.gz FIOFVXOPKHFNPD-UHFFFAOYSA-N -1 1 367.413 2.442 20 0 FEADMM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000295259219 552977637 /nfs/dbraw/zinc/97/76/37/552977637.db2.gz DBEIHSZHHLXRGO-LBPRGKRZSA-N -1 1 350.415 2.385 20 0 FEADMM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-][C@H](CO)c1c(F)cccc1F ZINC000295424272 553004532 /nfs/dbraw/zinc/00/45/32/553004532.db2.gz CQPUAVDYBIFEQN-JOYOIKCWSA-N -1 1 355.353 2.353 20 0 FEADMM Cc1cnccc1OC1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000295608984 553033050 /nfs/dbraw/zinc/03/30/50/553033050.db2.gz NROCTCUTRVUTLZ-UHFFFAOYSA-N -1 1 369.450 2.405 20 0 FEADMM COc1cc(OC)c(C[C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c(OC)c1 ZINC000295836161 553065981 /nfs/dbraw/zinc/06/59/81/553065981.db2.gz ZTHNQGKTNWURKZ-GFCCVEGCSA-N -1 1 373.405 2.348 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000297151930 553256391 /nfs/dbraw/zinc/25/63/91/553256391.db2.gz OHHZXHBROPNXMN-NSHDSACASA-N -1 1 369.454 2.033 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-][C@H]1COc2ccccc2[C@@H]1O ZINC000297149945 553256520 /nfs/dbraw/zinc/25/65/20/553256520.db2.gz RHUCAYNAOGRMGV-WHOFXGATSA-N -1 1 361.410 2.226 20 0 FEADMM Cc1ccc(Br)c(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)c1 ZINC000297625974 553317012 /nfs/dbraw/zinc/31/70/12/553317012.db2.gz BVSRBUKJWJXOAX-UHFFFAOYSA-N -1 1 364.203 2.020 20 0 FEADMM CCCCCCOc1ccc(C(=O)Nc2nn[nH]c2C(N)=O)cc1OC ZINC000297862954 553349384 /nfs/dbraw/zinc/34/93/84/553349384.db2.gz SRVIHHAJGJZCIW-UHFFFAOYSA-N -1 1 361.402 2.124 20 0 FEADMM O=C(N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)C(F)(F)c1cccc(Cl)c1 ZINC000298898158 553486804 /nfs/dbraw/zinc/48/68/04/553486804.db2.gz KNWUDMJMHCMBJE-SECBINFHSA-N -1 1 356.760 2.249 20 0 FEADMM COCCCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000298990929 553500107 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Cc1nc(-c2ccc(N3CCO[C@H]([C@H]4CCCO4)C3)nc2)[n-]c(=O)c1C ZINC000301614132 553665382 /nfs/dbraw/zinc/66/53/82/553665382.db2.gz UKWSCDNQXKDLJO-CVEARBPZSA-N -1 1 356.426 2.245 20 0 FEADMM Cc1nc(-c2ccc(N3CCN(CC(C)C)C(=O)C3)nc2)[n-]c(=O)c1C ZINC000302484012 553718404 /nfs/dbraw/zinc/71/84/04/553718404.db2.gz YEQOGWDGOZTGIQ-UHFFFAOYSA-N -1 1 355.442 2.166 20 0 FEADMM C[N@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000310677841 553753732 /nfs/dbraw/zinc/75/37/32/553753732.db2.gz QMOPDLZICCCYLT-MRVPVSSYSA-N -1 1 353.669 2.085 20 0 FEADMM CNC(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Cl ZINC000320543042 553765373 /nfs/dbraw/zinc/76/53/73/553765373.db2.gz DPJITPSMIFQBOT-UHFFFAOYSA-N -1 1 374.827 2.260 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000327429952 553789203 /nfs/dbraw/zinc/78/92/03/553789203.db2.gz QZKMEPUYNKZKPP-UHFFFAOYSA-N -1 1 361.379 2.332 20 0 FEADMM CNC(=O)c1cccc(CCC(=O)Nc2cc(C(=O)OC)ccc2[O-])c1 ZINC000505737830 561678856 /nfs/dbraw/zinc/67/88/56/561678856.db2.gz IQYVYZRGSPZXHV-UHFFFAOYSA-N -1 1 356.378 2.110 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)co1 ZINC000506197551 561692854 /nfs/dbraw/zinc/69/28/54/561692854.db2.gz YCVSTOYGEGYPLY-OAHLLOKOSA-N -1 1 354.403 2.454 20 0 FEADMM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccsc1 ZINC000506549363 561701772 /nfs/dbraw/zinc/70/17/72/561701772.db2.gz ZHEHQTQAUQGHBU-UHFFFAOYSA-N -1 1 358.466 2.089 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000329748793 553999247 /nfs/dbraw/zinc/99/92/47/553999247.db2.gz FRAZFOGVUIHYFN-NVXWUHKLSA-N -1 1 368.437 2.123 20 0 FEADMM Cc1cnc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000330294965 554101414 /nfs/dbraw/zinc/10/14/14/554101414.db2.gz FLPISUQYJKBPSA-OAHLLOKOSA-N -1 1 357.454 2.350 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000330445587 554122488 /nfs/dbraw/zinc/12/24/88/554122488.db2.gz VLNXQGDVRGNLNU-RISCZKNCSA-N -1 1 359.444 2.186 20 0 FEADMM NC(=O)[C@H]1CCCN(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000330800615 554173031 /nfs/dbraw/zinc/17/30/31/554173031.db2.gz DONWQJLAYZWNCB-ZETCQYMHSA-N -1 1 364.349 2.067 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(F)cc1OCC1CC1 ZINC000508382091 561760662 /nfs/dbraw/zinc/76/06/62/561760662.db2.gz LGSNZUFPBCESPI-UHFFFAOYSA-N -1 1 359.357 2.084 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Nc2ccccc2)nc1 ZINC000508382632 561760797 /nfs/dbraw/zinc/76/07/97/561760797.db2.gz MYWGPRZAEJVXHH-UHFFFAOYSA-N -1 1 363.377 2.294 20 0 FEADMM CCC(=O)N[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000331239823 554235605 /nfs/dbraw/zinc/23/56/05/554235605.db2.gz OGAPBEIBXVQVIB-NSHDSACASA-N -1 1 355.232 2.286 20 0 FEADMM COc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000508990214 561780410 /nfs/dbraw/zinc/78/04/10/561780410.db2.gz DTGJIZBSSBPENF-UHFFFAOYSA-N -1 1 359.429 2.074 20 0 FEADMM CO[C@@H](C)c1nc(C)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)s1 ZINC000509276035 561793318 /nfs/dbraw/zinc/79/33/18/561793318.db2.gz IAHYNXJRKHSLGF-VIFPVBQESA-N -1 1 352.416 2.267 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc(Cl)c1[O-] ZINC000331857209 554332041 /nfs/dbraw/zinc/33/20/41/554332041.db2.gz FIKGYIWDKSOLJM-IACUBPJLSA-N -1 1 355.818 2.056 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332145851 554389822 /nfs/dbraw/zinc/38/98/22/554389822.db2.gz LYJFINKIJSYYBE-UWVGGRQHSA-N -1 1 353.325 2.227 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332145848 554390020 /nfs/dbraw/zinc/39/00/20/554390020.db2.gz LYJFINKIJSYYBE-NXEZZACHSA-N -1 1 353.325 2.227 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCc2nnc(-c3ccsc3)o2)[n-]1 ZINC000510014970 561822058 /nfs/dbraw/zinc/82/20/58/561822058.db2.gz QMCNFVXSIKHPJD-UHFFFAOYSA-N -1 1 361.383 2.269 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCc2nnc(-c3ccsc3)o2)n1 ZINC000510014970 561822059 /nfs/dbraw/zinc/82/20/59/561822059.db2.gz QMCNFVXSIKHPJD-UHFFFAOYSA-N -1 1 361.383 2.269 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000332411138 554441163 /nfs/dbraw/zinc/44/11/63/554441163.db2.gz KBTYYSFHSBHUPZ-LBPRGKRZSA-N -1 1 364.833 2.187 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c2)oc1C ZINC000509990984 561821119 /nfs/dbraw/zinc/82/11/19/561821119.db2.gz PGQJOGZOCULLGS-UHFFFAOYSA-N -1 1 366.377 2.428 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)n1 ZINC000510004318 561821557 /nfs/dbraw/zinc/82/15/57/561821557.db2.gz YCDRZQAGRUZCMP-NSHDSACASA-N -1 1 350.419 2.000 20 0 FEADMM COC(=O)c1cc(C(C)C)ccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000510561452 561838919 /nfs/dbraw/zinc/83/89/19/561838919.db2.gz WITWDSZYOSVCPE-UHFFFAOYSA-N -1 1 371.393 2.066 20 0 FEADMM N=c1nc(N2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)s[n-]1 ZINC000333015084 554558736 /nfs/dbraw/zinc/55/87/36/554558736.db2.gz XGVOHDVTKBSOMT-HZSPNIEDSA-N -1 1 364.519 2.311 20 0 FEADMM C[C@H](N=c1ccc(N2CCC(C)(C)S(=O)(=O)CC2)n[n-]1)c1ccccc1 ZINC000333379436 554607627 /nfs/dbraw/zinc/60/76/27/554607627.db2.gz BEENNMCJLQDBQG-HNNXBMFYSA-N -1 1 374.510 3.053 20 0 FEADMM CC[C@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@]2(CCOC2)O1 ZINC000333603204 554626858 /nfs/dbraw/zinc/62/68/58/554626858.db2.gz WUFFZKSXNIDFFU-JXFKEZNVSA-N -1 1 372.444 3.002 20 0 FEADMM CN(C)c1cnc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)cn1 ZINC000350327932 554779787 /nfs/dbraw/zinc/77/97/87/554779787.db2.gz ZCYJLWXJHPUBGS-UHFFFAOYSA-N -1 1 361.365 2.214 20 0 FEADMM C[C@@]1(c2cccc(-c3noc(-c4cc(F)ccc4[O-])n3)c2)NC(=O)NC1=O ZINC000350564352 554797918 /nfs/dbraw/zinc/79/79/18/554797918.db2.gz FJQRMWBVSUNLFT-SFHVURJKSA-N -1 1 368.324 2.303 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000362275570 554959873 /nfs/dbraw/zinc/95/98/73/554959873.db2.gz AYFLURCTKCGJCB-SNVBAGLBSA-N -1 1 361.711 2.086 20 0 FEADMM Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)n1 ZINC000362780340 554988095 /nfs/dbraw/zinc/98/80/95/554988095.db2.gz FTJKYYIKZAGYNG-HNNXBMFYSA-N -1 1 351.414 2.022 20 0 FEADMM O=C(CC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1)N1CCOCC1 ZINC000363198598 555051369 /nfs/dbraw/zinc/05/13/69/555051369.db2.gz HLJFNZHXOGEWKI-UHFFFAOYSA-N -1 1 366.845 2.147 20 0 FEADMM CN(CCCNC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1F ZINC000511898421 561884663 /nfs/dbraw/zinc/88/46/63/561884663.db2.gz ZJMFFAFCNVRXTQ-UHFFFAOYSA-N -1 1 357.389 2.069 20 0 FEADMM CN(CC(C)(C)O)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000363592581 555143430 /nfs/dbraw/zinc/14/34/30/555143430.db2.gz OZUXUTUBELDNPN-QGZVFWFLSA-N -1 1 370.449 2.379 20 0 FEADMM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000363993936 555229133 /nfs/dbraw/zinc/22/91/33/555229133.db2.gz OTPISHAZQAFMAX-JSGCOSHPSA-N -1 1 362.455 2.482 20 0 FEADMM CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1C(=O)[O-] ZINC000364119197 555253261 /nfs/dbraw/zinc/25/32/61/555253261.db2.gz GCOXDSCQWJXQFN-CQSZACIVSA-N -1 1 366.483 2.242 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cc(OC(F)F)n(C)n2)c1Br ZINC000616008899 555262981 /nfs/dbraw/zinc/26/29/81/555262981.db2.gz LNGDFJPXAQRWRI-UHFFFAOYSA-N -1 1 350.123 2.068 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CCN(c4cnn(C)c4)C3)nc2)[n-]c(=O)c1C ZINC000364410150 555308425 /nfs/dbraw/zinc/30/84/25/555308425.db2.gz AQYCGBSRLOTJFZ-OAHLLOKOSA-N -1 1 365.441 2.285 20 0 FEADMM Cc1ccc(C)c(OCCCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000512617923 561910428 /nfs/dbraw/zinc/91/04/28/561910428.db2.gz GRABXYHIEICWKM-UHFFFAOYSA-N -1 1 366.443 2.013 20 0 FEADMM Cc1ccc(C)c(OCCCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000512617923 561910429 /nfs/dbraw/zinc/91/04/29/561910429.db2.gz GRABXYHIEICWKM-UHFFFAOYSA-N -1 1 366.443 2.013 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)[nH]c21 ZINC000512936306 561920346 /nfs/dbraw/zinc/92/03/46/561920346.db2.gz UTIGGRGTLLCTIG-UHFFFAOYSA-N -1 1 373.390 2.085 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000365299639 555536091 /nfs/dbraw/zinc/53/60/91/555536091.db2.gz INGDMDKKVMZIGY-UHFFFAOYSA-N -1 1 371.422 2.486 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC(CC)CC)CC2)n1 ZINC000365776828 555665514 /nfs/dbraw/zinc/66/55/14/555665514.db2.gz DHDYSLIMIAVFJJ-UHFFFAOYSA-N -1 1 351.451 2.307 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1nn[n-]n1 ZINC000366001915 555723853 /nfs/dbraw/zinc/72/38/53/555723853.db2.gz PHBPRELYVCKUGB-JTQLQIEISA-N -1 1 357.805 2.186 20 0 FEADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc([O-])c2)[C@@H](C(F)F)C1 ZINC000366466980 555852093 /nfs/dbraw/zinc/85/20/93/555852093.db2.gz AVSWEILATNYPFD-GFCCVEGCSA-N -1 1 357.357 2.114 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@]4(CCO[C@H]4C)C3)nc2)[n-]c(=O)c1C ZINC000366492880 555859635 /nfs/dbraw/zinc/85/96/35/555859635.db2.gz NRPYCCVKJRLMMT-IFXJQAMLSA-N -1 1 356.426 2.245 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@]4(CCO[C@@H](C)C4)C3)cnc2n1 ZINC000366657768 555900929 /nfs/dbraw/zinc/90/09/29/555900929.db2.gz WKIJGZKZZGVDHK-YRVVQQKDSA-N -1 1 371.437 2.442 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C1)c2=O ZINC000366657768 555900933 /nfs/dbraw/zinc/90/09/33/555900933.db2.gz WKIJGZKZZGVDHK-YRVVQQKDSA-N -1 1 371.437 2.442 20 0 FEADMM CN(C)c1ncc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000366698412 555911843 /nfs/dbraw/zinc/91/18/43/555911843.db2.gz HFBMUKNKAYIOML-UHFFFAOYSA-N -1 1 369.425 2.375 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC2(CCC2)C1 ZINC000366828425 555945179 /nfs/dbraw/zinc/94/51/79/555945179.db2.gz OQCUFWAVJGJTCX-UHFFFAOYSA-N -1 1 352.438 2.476 20 0 FEADMM COCCc1nc(=NC2CC(N3CCC(C(F)(F)F)CC3)C2)s[n-]1 ZINC000366853224 555951886 /nfs/dbraw/zinc/95/18/86/555951886.db2.gz BLXVMQAPNPHBBT-UHFFFAOYSA-N -1 1 364.437 2.366 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000367387171 556035112 /nfs/dbraw/zinc/03/51/12/556035112.db2.gz AUQYSRGMEXMPEY-CQSZACIVSA-N -1 1 358.398 2.371 20 0 FEADMM Cn1cc([C@@H]2[C@H](CN=c3[n-]nc(-c4ccccn4)s3)CCCN2C)cn1 ZINC000368180793 556240103 /nfs/dbraw/zinc/24/01/03/556240103.db2.gz PPBLQOCFJNEWTJ-BBRMVZONSA-N -1 1 369.498 2.829 20 0 FEADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1c([O-])cnc2c(Br)cccc21 ZINC000515097223 561996400 /nfs/dbraw/zinc/99/64/00/561996400.db2.gz HZBUXGGGPNQIBQ-VHSXEESVSA-N -1 1 363.211 2.370 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1[nH]nc2ccccc21 ZINC000368504430 556329125 /nfs/dbraw/zinc/32/91/25/556329125.db2.gz VBHJTRQPJVPRBH-ZDUSSCGKSA-N -1 1 371.763 2.388 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000368726797 556399351 /nfs/dbraw/zinc/39/93/51/556399351.db2.gz FHDBZYQPRZAJFO-DGCLKSJQSA-N -1 1 368.227 2.365 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3cnccn3)n2)s1 ZINC000368732326 556400188 /nfs/dbraw/zinc/40/01/88/556400188.db2.gz JAPCCORRAIYSFO-UHFFFAOYSA-N -1 1 370.423 2.402 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(-c4cnco4)cc3)cc2N1 ZINC000515837851 562023504 /nfs/dbraw/zinc/02/35/04/562023504.db2.gz LOOFRARKAUZHNC-UHFFFAOYSA-N -1 1 371.374 2.473 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000369261308 556553819 /nfs/dbraw/zinc/55/38/19/556553819.db2.gz CMCOKFYOOMLWBL-KRWDZBQOSA-N -1 1 366.421 2.024 20 0 FEADMM Cc1ccc2nc(C3CC3)cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c2c1 ZINC000369968218 556744175 /nfs/dbraw/zinc/74/41/75/556744175.db2.gz BIUSNABVNCYNRX-KRWDZBQOSA-N -1 1 364.409 2.147 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370015178 556758595 /nfs/dbraw/zinc/75/85/95/556758595.db2.gz BMECMHBUDSCPJX-CQSZACIVSA-N -1 1 374.485 2.405 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1COc2c1cccc2Cl ZINC000370466090 556880495 /nfs/dbraw/zinc/88/04/95/556880495.db2.gz VLVRTLCMJQMKQH-AWEZNQCLSA-N -1 1 372.812 2.498 20 0 FEADMM CC[C@@H](C)[C@@H](O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370595566 556917567 /nfs/dbraw/zinc/91/75/67/556917567.db2.gz WZEDMEFVADYGTO-WBMJQRKESA-N -1 1 358.442 2.008 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1c2cccc(F)c2O[C@@H]1C ZINC000370732820 556952518 /nfs/dbraw/zinc/95/25/18/556952518.db2.gz RKHGZQXPEMLBPT-ADLMAVQZSA-N -1 1 370.384 2.372 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370854990 556991639 /nfs/dbraw/zinc/99/16/39/556991639.db2.gz HJSHLEJHCFIDII-WZRBSPASSA-N -1 1 368.224 2.210 20 0 FEADMM CCOc1ccc(OCCCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000371291318 557133288 /nfs/dbraw/zinc/13/32/88/557133288.db2.gz IRFGFIKTTHBSLY-CQSZACIVSA-N -1 1 359.430 2.164 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cnc3c(c2)COCC3)c(=O)[n-]1 ZINC000371484995 557196136 /nfs/dbraw/zinc/19/61/36/557196136.db2.gz JMNWVYAFNQDFBA-UHFFFAOYSA-N -1 1 360.439 2.252 20 0 FEADMM COCCOCCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000371574157 557227042 /nfs/dbraw/zinc/22/70/42/557227042.db2.gz YHXKYDJWBNMOPB-UHFFFAOYSA-N -1 1 364.442 2.050 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)o1 ZINC000517994158 562102257 /nfs/dbraw/zinc/10/22/57/562102257.db2.gz VLIMBGUNINOTKX-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1C[C@]12CCOc1ccccc12 ZINC000371827685 557305158 /nfs/dbraw/zinc/30/51/58/557305158.db2.gz ZBWBLUNMFCWNDJ-ACJLOTCBSA-N -1 1 357.435 2.435 20 0 FEADMM CCN(CCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)CCC(F)(F)F ZINC000518369907 562109771 /nfs/dbraw/zinc/10/97/71/562109771.db2.gz FFYIWGUGNQFSAF-VXGBXAGGSA-N -1 1 353.385 2.013 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2cccc(F)c2O[C@H]1C ZINC000371978761 557345248 /nfs/dbraw/zinc/34/52/48/557345248.db2.gz JEJAYHUNARGMEL-GZMMTYOYSA-N -1 1 359.810 2.322 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](COC(C)C)C1 ZINC000372177823 557400716 /nfs/dbraw/zinc/40/07/16/557400716.db2.gz FGTBYMNENLVLOI-CYBMUJFWSA-N -1 1 351.447 2.054 20 0 FEADMM CC(C)(C)CCN1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000518881446 562120218 /nfs/dbraw/zinc/12/02/18/562120218.db2.gz KDZCARYDJRBSDE-UHFFFAOYSA-N -1 1 358.442 2.224 20 0 FEADMM CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc12 ZINC000372369054 557451868 /nfs/dbraw/zinc/45/18/68/557451868.db2.gz XNSCDEKROKEQHO-JTQLQIEISA-N -1 1 359.459 2.291 20 0 FEADMM CN(CCCO)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000519413678 562131418 /nfs/dbraw/zinc/13/14/18/562131418.db2.gz AGGIIGUSLXIGNC-UHFFFAOYSA-N -1 1 366.414 2.081 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC000372603331 557518303 /nfs/dbraw/zinc/51/83/03/557518303.db2.gz ZXSOBEAZABCLDR-HNNXBMFYSA-N -1 1 364.377 2.292 20 0 FEADMM COC(=O)c1[n-]c(=N[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)sc1C ZINC000372958166 557597278 /nfs/dbraw/zinc/59/72/78/557597278.db2.gz SVNAFAOZNIEHOO-HZMBPMFUSA-N -1 1 365.480 3.074 20 0 FEADMM Cc1c([C@H]2[C@@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC(=O)N2C)cnn1C ZINC000373065275 557620055 /nfs/dbraw/zinc/62/00/55/557620055.db2.gz FRSPMAWAJXPHIF-MEDUHNTESA-N -1 1 362.817 2.246 20 0 FEADMM O=c1n(Cc2nc(-c3ccc([O-])cc3Cl)no2)nc2n1CCCCC2 ZINC000373219574 557652175 /nfs/dbraw/zinc/65/21/75/557652175.db2.gz KMXZSCSAPHHZAL-UHFFFAOYSA-N -1 1 361.789 2.229 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)n1 ZINC000373684442 557738347 /nfs/dbraw/zinc/73/83/47/557738347.db2.gz JWTRAKVAYQVGFG-NSHDSACASA-N -1 1 356.373 2.123 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)o1 ZINC000520757276 562162875 /nfs/dbraw/zinc/16/28/75/562162875.db2.gz GRZQRWWXBJDXBJ-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccnn1CCC(C)C ZINC000520932064 562166174 /nfs/dbraw/zinc/16/61/74/562166174.db2.gz ZYJNZTOIHMBJQT-UHFFFAOYSA-N -1 1 356.430 2.476 20 0 FEADMM Cc1nc([C@H]2CCCCN2C(=O)N=c2ncn(C3CCCCC3)[n-]2)n[nH]1 ZINC000374654430 557912321 /nfs/dbraw/zinc/91/23/21/557912321.db2.gz SNTHEVUPKCLXRD-CQSZACIVSA-N -1 1 358.450 2.969 20 0 FEADMM COc1nccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000374653949 557912394 /nfs/dbraw/zinc/91/23/94/557912394.db2.gz QNVCKJVGPYHKJD-UHFFFAOYSA-N -1 1 356.382 2.318 20 0 FEADMM Cn1cc(-c2ccccc2CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cn1 ZINC000374741649 557923933 /nfs/dbraw/zinc/92/39/33/557923933.db2.gz CIVDCXLARMMDEZ-UHFFFAOYSA-N -1 1 362.393 2.004 20 0 FEADMM COCc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cc1 ZINC000375084423 557975387 /nfs/dbraw/zinc/97/53/87/557975387.db2.gz LZWXNONNFXBNJZ-UHFFFAOYSA-N -1 1 369.352 2.273 20 0 FEADMM O=C(CCCc1cccc(C(F)(F)F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000375234004 557996240 /nfs/dbraw/zinc/99/62/40/557996240.db2.gz OHSDPWOTOKBYCR-ZDUSSCGKSA-N -1 1 369.347 2.141 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375336064 558010925 /nfs/dbraw/zinc/01/09/25/558010925.db2.gz YSWIZYWDADYKMY-UHFFFAOYSA-N -1 1 350.802 2.189 20 0 FEADMM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n[n-]1 ZINC000375646521 558061793 /nfs/dbraw/zinc/06/17/93/558061793.db2.gz GUZUOHMASHSTSO-MRVPVSSYSA-N -1 1 351.363 2.146 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cn1 ZINC000521590260 562179720 /nfs/dbraw/zinc/17/97/20/562179720.db2.gz NFXVKGCKHNUJGM-LBPRGKRZSA-N -1 1 364.423 2.231 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCC(Oc2cnccn2)CC1 ZINC000376042143 558118232 /nfs/dbraw/zinc/11/82/32/558118232.db2.gz KCQBXDLEHHXDAG-UHFFFAOYSA-N -1 1 350.378 2.414 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000376326802 558158421 /nfs/dbraw/zinc/15/84/21/558158421.db2.gz DBGJFOYZXUPRQK-XLKFXECMSA-N -1 1 355.343 2.006 20 0 FEADMM O=C1C[C@@H](CN=c2nc(C(F)(F)F)[n-]s2)CN1CCc1ccccc1 ZINC000376451390 558174897 /nfs/dbraw/zinc/17/48/97/558174897.db2.gz VKOMVRRHCDFPOJ-LBPRGKRZSA-N -1 1 370.400 2.482 20 0 FEADMM COc1ccc(Cl)cc1N1C[C@H](C(=O)[N-]OCC(F)(F)F)CC1=O ZINC000376535645 558186708 /nfs/dbraw/zinc/18/67/08/558186708.db2.gz ONJKWCSUIAITBB-MRVPVSSYSA-N -1 1 366.723 2.312 20 0 FEADMM Cc1ccc(N2CC[C@@H](NC(=O)/N=c3/ccnc4n(C)[n-]cc3-4)C2)cc1 ZINC000376605819 558196754 /nfs/dbraw/zinc/19/67/54/558196754.db2.gz HZEPOWCELBOQNH-RYPAHKROSA-N -1 1 350.426 2.051 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC3CCN(c4cccc(F)c4)CC3)ccnc1-2 ZINC000376631849 558200180 /nfs/dbraw/zinc/20/01/80/558200180.db2.gz HUGGAAYMAJZAEQ-ULJHMMPZSA-N -1 1 368.416 2.271 20 0 FEADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000376640003 558201748 /nfs/dbraw/zinc/20/17/48/558201748.db2.gz GXXICVNOBDNPHW-BWLVIMMKSA-N -1 1 351.410 2.198 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CC[C@H](n4ncc5ccccc54)C3)ccnc1-2 ZINC000376643989 558202186 /nfs/dbraw/zinc/20/21/86/558202186.db2.gz QTWWNJDACDNOLP-XLOANJQZSA-N -1 1 361.409 2.170 20 0 FEADMM Cc1cc([C@H]2CN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CCO2)ccc1F ZINC000376676280 558206598 /nfs/dbraw/zinc/20/65/98/558206598.db2.gz ZRFLXTDLWVIHAX-CXJVOSNZSA-N -1 1 369.400 2.395 20 0 FEADMM O=S(=O)([N-][C@H]1COc2ccccc2[C@@H]1O)c1c(F)cccc1Cl ZINC000377346183 558320650 /nfs/dbraw/zinc/32/06/50/558320650.db2.gz MTCYKYTZNIFYOJ-JSGCOSHPSA-N -1 1 357.790 2.252 20 0 FEADMM Cc1noc([C@@H]2CCCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)n1 ZINC000377452229 558343631 /nfs/dbraw/zinc/34/36/31/558343631.db2.gz XDOFXCRWMPYDRY-GFCCVEGCSA-N -1 1 353.382 2.355 20 0 FEADMM Cc1noc([C@@H]2CCCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)n1 ZINC000377452229 558343634 /nfs/dbraw/zinc/34/36/34/558343634.db2.gz XDOFXCRWMPYDRY-GFCCVEGCSA-N -1 1 353.382 2.355 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000377560900 558364474 /nfs/dbraw/zinc/36/44/74/558364474.db2.gz RHSKBQPLCAQSHQ-HNNXBMFYSA-N -1 1 362.451 2.283 20 0 FEADMM O=C(N[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1)C1CCC1 ZINC000377575701 558369398 /nfs/dbraw/zinc/36/93/98/558369398.db2.gz RTFQXRHWGBQCFY-GFCCVEGCSA-N -1 1 367.243 2.286 20 0 FEADMM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H]3CCc4nc[nH]c4C3)s2)cc1 ZINC000377755090 558412663 /nfs/dbraw/zinc/41/26/63/558412663.db2.gz BNWPSJVRDIDTMN-ZDUSSCGKSA-N -1 1 368.466 2.839 20 0 FEADMM Cc1oc(-c2ccccc2)nc1CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522855821 562204828 /nfs/dbraw/zinc/20/48/28/562204828.db2.gz WVAFHLSNYAYFHI-UHFFFAOYSA-N -1 1 352.398 2.291 20 0 FEADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000522855714 562204889 /nfs/dbraw/zinc/20/48/89/562204889.db2.gz QPGIERSAZZRMRC-LLVKDONJSA-N -1 1 374.470 2.224 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)ccc1OC ZINC000523528314 562214748 /nfs/dbraw/zinc/21/47/48/562214748.db2.gz UTRKMJWODKSBDS-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM Cc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000378280013 558518761 /nfs/dbraw/zinc/51/87/61/558518761.db2.gz DPHFNEJAIBVLGY-HNNXBMFYSA-N -1 1 366.512 2.037 20 0 FEADMM O=C([N-]OCC(F)(F)F)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000378356518 558537858 /nfs/dbraw/zinc/53/78/58/558537858.db2.gz PCZKFJXOIKVTIU-SSDOTTSWSA-N -1 1 354.687 2.442 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000378513182 558573157 /nfs/dbraw/zinc/57/31/57/558573157.db2.gz AREGWNPYLAWGTA-CQSZACIVSA-N -1 1 354.414 2.071 20 0 FEADMM C[C@H]1COCCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000398915578 558627729 /nfs/dbraw/zinc/62/77/29/558627729.db2.gz XYQHLAZLQULLOH-VIFPVBQESA-N -1 1 361.179 2.248 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Br)o1 ZINC000408213527 558656973 /nfs/dbraw/zinc/65/69/73/558656973.db2.gz HSKDZOVJDGJVAY-AEJSXWLSSA-N -1 1 350.234 2.278 20 0 FEADMM C[C@H]1C[C@H](CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CC(C)(C)C1 ZINC000408260249 558661968 /nfs/dbraw/zinc/66/19/68/558661968.db2.gz DSRBFHCNYYPFTO-QWHCGFSZSA-N -1 1 351.520 2.621 20 0 FEADMM CCCCCS(=O)(=O)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000524418381 562228253 /nfs/dbraw/zinc/22/82/53/562228253.db2.gz NUHVJSMWQCLSTP-UHFFFAOYSA-N -1 1 351.428 2.326 20 0 FEADMM COc1ccc(-c2nc(C)c(C(=O)N=c3ccc(O)n[n-]3)s2)c(F)c1 ZINC000409956273 558729907 /nfs/dbraw/zinc/72/99/07/558729907.db2.gz MYWCQAMICOJSTQ-UHFFFAOYSA-N -1 1 360.370 3.014 20 0 FEADMM COc1ccc(-c2nc(C)c(C(=O)N=c3ccc([O-])n[nH]3)s2)c(F)c1 ZINC000409956273 558729909 /nfs/dbraw/zinc/72/99/09/558729909.db2.gz MYWCQAMICOJSTQ-UHFFFAOYSA-N -1 1 360.370 3.014 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000410280946 558749646 /nfs/dbraw/zinc/74/96/46/558749646.db2.gz CQBOHBHYUWGVTH-QMMMGPOBSA-N -1 1 371.224 2.791 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000410298056 558750123 /nfs/dbraw/zinc/75/01/23/558750123.db2.gz DEZZWEXEEXNLSN-SNVBAGLBSA-N -1 1 365.437 2.936 20 0 FEADMM COc1cc(NC(=O)N[C@@H](C)c2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000524895832 562237205 /nfs/dbraw/zinc/23/72/05/562237205.db2.gz UKTIHASAVUOTKE-NSHDSACASA-N -1 1 364.427 2.344 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2ccccn2)ccc1[N-]S(C)(=O)=O ZINC000524899203 562237323 /nfs/dbraw/zinc/23/73/23/562237323.db2.gz YQYFJVRVSWCSJU-UHFFFAOYSA-N -1 1 364.427 2.126 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000525870504 562258056 /nfs/dbraw/zinc/25/80/56/562258056.db2.gz UOBIDHIAIAQEBA-UHFFFAOYSA-N -1 1 363.258 2.445 20 0 FEADMM O=C(N=c1cc([C@@H]2CCCOC2)[nH][nH]1)c1cnc2c(Cl)cccc2c1[O-] ZINC000412302081 559026248 /nfs/dbraw/zinc/02/62/48/559026248.db2.gz VGXHODMQNPUJDH-SNVBAGLBSA-N -1 1 372.812 3.051 20 0 FEADMM c1csc(CCN=c2[n-]nc(SCCN3CCCOCC3)s2)c1 ZINC000412990356 559069256 /nfs/dbraw/zinc/06/92/56/559069256.db2.gz OVTMLFSRLZAQEJ-UHFFFAOYSA-N -1 1 370.569 3.069 20 0 FEADMM CCOc1cc(C(=O)NCCC(C)(C)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000414007559 559146460 /nfs/dbraw/zinc/14/64/60/559146460.db2.gz QLFBPRXPPKLGHL-UHFFFAOYSA-N -1 1 363.863 2.387 20 0 FEADMM COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000414391815 559161009 /nfs/dbraw/zinc/16/10/09/559161009.db2.gz CHLCPOVBIIZKKJ-NSHDSACASA-N -1 1 350.396 2.168 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nncn1C ZINC000414464773 559165919 /nfs/dbraw/zinc/16/59/19/559165919.db2.gz OJWHVAMAOMIWLD-ZETCQYMHSA-N -1 1 367.233 2.343 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1OC)C(F)(F)F ZINC000527198107 562279858 /nfs/dbraw/zinc/27/98/58/562279858.db2.gz LORIFMKJGVDWSS-CYBMUJFWSA-N -1 1 369.361 2.491 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C)Sc3nncn3C)[nH][n-]2)c1 ZINC000416251978 559301265 /nfs/dbraw/zinc/30/12/65/559301265.db2.gz MNNKZSOAOSGPDL-JTQLQIEISA-N -1 1 360.418 2.772 20 0 FEADMM COc1cc(CN[C@@]2(C(=O)[O-])CCOc3ccccc32)cc2c1OCO2 ZINC000417570004 559367129 /nfs/dbraw/zinc/36/71/29/559367129.db2.gz ROCUWDDYUWJIMJ-IBGZPJMESA-N -1 1 357.362 2.276 20 0 FEADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cnn(CC(F)F)c2)c1OC ZINC000417581372 559367741 /nfs/dbraw/zinc/36/77/41/559367741.db2.gz HLIIEDCRYAEZDI-CYBMUJFWSA-N -1 1 369.368 2.471 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](CC)OC)c1cccc(C)c1C ZINC000420687978 559498117 /nfs/dbraw/zinc/49/81/17/559498117.db2.gz KMNFIELQGJYEMQ-GOEBONIOSA-N -1 1 357.472 2.252 20 0 FEADMM NC(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000420700707 559499046 /nfs/dbraw/zinc/49/90/46/559499046.db2.gz FAFGKFKRZBYEAH-UHFFFAOYSA-N -1 1 370.780 2.293 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000420738736 559501556 /nfs/dbraw/zinc/50/15/56/559501556.db2.gz ZQBMLGZRQLTPNR-CQSZACIVSA-N -1 1 371.434 2.356 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC(F)F)c2ccccc2)o1 ZINC000422010899 559560488 /nfs/dbraw/zinc/56/04/88/559560488.db2.gz BXURGLVJEFUZKD-LLVKDONJSA-N -1 1 358.366 2.314 20 0 FEADMM CSc1cc2c(cc1[N-]S(=O)(=O)CCOCC1CC1)OCCO2 ZINC000424066713 559653432 /nfs/dbraw/zinc/65/34/32/559653432.db2.gz NSFLUEQYGVWDIX-UHFFFAOYSA-N -1 1 359.469 2.348 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N2CC(N(C)Cc3ccccc3)C2)c1 ZINC000424834494 559678098 /nfs/dbraw/zinc/67/80/98/559678098.db2.gz KSVLDHZPIAHSMH-AREMUKBSSA-N -1 1 372.490 2.146 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C)cc2F)[C@]12CCCO2 ZINC000425175493 559689645 /nfs/dbraw/zinc/68/96/45/559689645.db2.gz JVXXHBISGIAOHB-SQWLQELKSA-N -1 1 361.410 2.278 20 0 FEADMM COCCN(Cc1ccnn1C)c1ccc(=N[C@H](C)c2ccccc2)[n-]n1 ZINC000425252612 559693391 /nfs/dbraw/zinc/69/33/91/559693391.db2.gz BIDXTSYYSWKJOB-MRXNPFEDSA-N -1 1 366.469 3.036 20 0 FEADMM CCNC(=O)c1ccc(=NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)[n-]n1 ZINC000425263235 559694085 /nfs/dbraw/zinc/69/40/85/559694085.db2.gz AXUHYKNJZCZTSR-CYBMUJFWSA-N -1 1 350.463 2.642 20 0 FEADMM O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293217 559695062 /nfs/dbraw/zinc/69/50/62/559695062.db2.gz BMHMZRUIVCKCJK-GFCCVEGCSA-N -1 1 353.382 2.320 20 0 FEADMM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425295029 559695298 /nfs/dbraw/zinc/69/52/98/559695298.db2.gz FFTANKXWOSRSBU-HUUCEWRRSA-N -1 1 367.409 2.427 20 0 FEADMM c1ccc(CN2CCN(CCCN=c3nc(C4CC4)[n-]s3)CC2)cc1 ZINC000426558365 559737725 /nfs/dbraw/zinc/73/77/25/559737725.db2.gz IRFHFLUTGSEMEY-UHFFFAOYSA-N -1 1 357.527 2.457 20 0 FEADMM COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ncc(C)cc1[O-] ZINC000427147909 559749093 /nfs/dbraw/zinc/74/90/93/559749093.db2.gz QVRIPCNJNQYLDJ-HNNXBMFYSA-N -1 1 371.368 2.230 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn(C(F)F)c2)CCCCC1 ZINC000427320742 559753256 /nfs/dbraw/zinc/75/32/56/559753256.db2.gz ACUKLENSUGAFBO-UHFFFAOYSA-N -1 1 351.375 2.143 20 0 FEADMM Cc1nc2ccc(S(=O)(=O)N=c3ccnc4n(C)[n-]cc3-4)cc2s1 ZINC000427791818 559762728 /nfs/dbraw/zinc/76/27/28/559762728.db2.gz YEMCPCZLRMLCML-UHFFFAOYSA-N -1 1 359.436 2.061 20 0 FEADMM COCCN(Cc1scnc1C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000428006100 559767375 /nfs/dbraw/zinc/76/73/75/559767375.db2.gz MTLGHCMFFAKIRJ-UHFFFAOYSA-N -1 1 352.485 2.771 20 0 FEADMM C[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000428391892 559774666 /nfs/dbraw/zinc/77/46/66/559774666.db2.gz HXEDIJMLRVFIGA-ZYHUDNBSSA-N -1 1 364.464 2.006 20 0 FEADMM COc1ccnc(CS(=O)(=O)c2nc(-c3ccc(C)cc3)n[n-]2)c1OC ZINC000429894880 559808029 /nfs/dbraw/zinc/80/80/29/559808029.db2.gz GKCLLFUAQDVKFM-UHFFFAOYSA-N -1 1 374.422 2.166 20 0 FEADMM COc1ccnc(CS(=O)(=O)c2n[n-]c(-c3ccc(C)cc3)n2)c1OC ZINC000429894880 559808030 /nfs/dbraw/zinc/80/80/30/559808030.db2.gz GKCLLFUAQDVKFM-UHFFFAOYSA-N -1 1 374.422 2.166 20 0 FEADMM COC(=O)c1cnccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000430051516 559811942 /nfs/dbraw/zinc/81/19/42/559811942.db2.gz GAOPPZJIYFWAMV-UHFFFAOYSA-N -1 1 358.778 2.025 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431160143 559835255 /nfs/dbraw/zinc/83/52/55/559835255.db2.gz ANBGPDUPRXMEKJ-UHFFFAOYSA-N -1 1 351.359 2.320 20 0 FEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000431812794 559846413 /nfs/dbraw/zinc/84/64/13/559846413.db2.gz MIFUROWGNXXGQC-UHFFFAOYSA-N -1 1 370.333 2.287 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(-c4nc[nH]n4)c3)ccc2[nH]1 ZINC000432194753 559853987 /nfs/dbraw/zinc/85/39/87/559853987.db2.gz IUKJIINMQJJNLE-UHFFFAOYSA-N -1 1 367.390 2.114 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432201795 559854069 /nfs/dbraw/zinc/85/40/69/559854069.db2.gz FTCXMDDSOCJEAB-UHFFFAOYSA-N -1 1 372.406 2.080 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)ccc1C ZINC000432620443 559861932 /nfs/dbraw/zinc/86/19/32/559861932.db2.gz SOFOZCQUICJBTJ-UHFFFAOYSA-N -1 1 373.434 2.273 20 0 FEADMM COc1cc(NC(=O)NCC2CC(F)(F)C2)ccc1[N-]S(C)(=O)=O ZINC000433112965 559872286 /nfs/dbraw/zinc/87/22/86/559872286.db2.gz COIMVGQGDKUDNS-UHFFFAOYSA-N -1 1 363.386 2.234 20 0 FEADMM COc1cccc2c1N(S(=O)(=O)c1cc(C(=O)[O-])ccc1O)CCC2 ZINC000433488008 559882825 /nfs/dbraw/zinc/88/28/25/559882825.db2.gz LWXZBHHJQYUPID-UHFFFAOYSA-N -1 1 363.391 2.241 20 0 FEADMM CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433489633 559883068 /nfs/dbraw/zinc/88/30/68/559883068.db2.gz DEJKGROLCJEJBK-CQSZACIVSA-N -1 1 365.407 2.057 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000433599712 559884742 /nfs/dbraw/zinc/88/47/42/559884742.db2.gz MYXWYBLSBXKUDS-UHFFFAOYSA-N -1 1 367.448 2.484 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)sc1C ZINC000435219562 559918122 /nfs/dbraw/zinc/91/81/22/559918122.db2.gz FOYVNFNRBGZUGM-UHFFFAOYSA-N -1 1 359.860 2.330 20 0 FEADMM CCC[C@H](NC(=O)c1cnn2c1nccc2-c1ccccc1)c1nn[n-]n1 ZINC000434783716 559909335 /nfs/dbraw/zinc/90/93/35/559909335.db2.gz KCNQYAZUAQPLSJ-AWEZNQCLSA-N -1 1 362.397 2.181 20 0 FEADMM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CN1 ZINC000435140609 559917023 /nfs/dbraw/zinc/91/70/23/559917023.db2.gz JNJYHQRMJKPIHT-NSHDSACASA-N -1 1 352.362 2.369 20 0 FEADMM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000435219428 559918148 /nfs/dbraw/zinc/91/81/48/559918148.db2.gz DGFODGSLJIHXTD-UHFFFAOYSA-N -1 1 353.469 2.239 20 0 FEADMM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435442812 559923213 /nfs/dbraw/zinc/92/32/13/559923213.db2.gz NAJJLLLLIIPBGB-LDYMZIIASA-N -1 1 369.245 2.326 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc(SC)cc2)c1 ZINC000435602942 559925924 /nfs/dbraw/zinc/92/59/24/559925924.db2.gz XTCBNKUMTKDQBW-UHFFFAOYSA-N -1 1 355.437 2.309 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)NCCOc1ccc(F)cc1 ZINC000436251568 559938576 /nfs/dbraw/zinc/93/85/76/559938576.db2.gz YUSQJTXSJJQEPT-UHFFFAOYSA-N -1 1 363.414 2.486 20 0 FEADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cccc1N1C(=O)CCNC1=O ZINC000436497749 559943214 /nfs/dbraw/zinc/94/32/14/559943214.db2.gz UKZVIFHBEBHACI-UHFFFAOYSA-N -1 1 355.350 2.105 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CN2c3ccccc3CCCC2=O)c1 ZINC000436504842 559943353 /nfs/dbraw/zinc/94/33/53/559943353.db2.gz MBINRQFGHAYWMS-UHFFFAOYSA-N -1 1 368.389 2.487 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)c1 ZINC000436505363 559943428 /nfs/dbraw/zinc/94/34/28/559943428.db2.gz MITDVWQBESCWPY-ZDUSSCGKSA-N -1 1 360.410 2.370 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(N3CCNC3=O)ccc2F)c1 ZINC000436502631 559943446 /nfs/dbraw/zinc/94/34/46/559943446.db2.gz CRXFUWOSSUZIDV-UHFFFAOYSA-N -1 1 373.340 2.100 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000436503117 559943549 /nfs/dbraw/zinc/94/35/49/559943549.db2.gz FPJJCCCYSZDSCL-UHFFFAOYSA-N -1 1 361.350 2.083 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2csc(-c3cnccn3)n2)c1 ZINC000436510193 559943639 /nfs/dbraw/zinc/94/36/39/559943639.db2.gz SPMLMJWIGFSPCD-UHFFFAOYSA-N -1 1 370.390 2.274 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3cnccn3)n2)c1 ZINC000436517180 559943973 /nfs/dbraw/zinc/94/39/73/559943973.db2.gz YLVIUMYPRJFWTM-UHFFFAOYSA-N -1 1 356.363 2.345 20 0 FEADMM CCOC(=O)CSc1nnc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436549226 559945001 /nfs/dbraw/zinc/94/50/01/559945001.db2.gz UIWVFGLQWPKMKY-UHFFFAOYSA-N -1 1 357.388 2.290 20 0 FEADMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436576746 559945707 /nfs/dbraw/zinc/94/57/07/559945707.db2.gz RSYWUVAUXQDSKQ-LLVKDONJSA-N -1 1 374.368 2.465 20 0 FEADMM O=C(C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccc([O-])cc1 ZINC000436699691 559949109 /nfs/dbraw/zinc/94/91/09/559949109.db2.gz RMARCYGUBKOIIR-UHFFFAOYSA-N -1 1 372.808 2.099 20 0 FEADMM COc1ccc([C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2nccn2C)cc1 ZINC000436885925 559955371 /nfs/dbraw/zinc/95/53/71/559955371.db2.gz LGPHZOMXBPZRIU-QGZVFWFLSA-N -1 1 365.389 2.223 20 0 FEADMM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)C(=O)c3ccc([O-])cc3)nnc1-2 ZINC000436895408 559955760 /nfs/dbraw/zinc/95/57/60/559955760.db2.gz IVGWVJBGMGEJMD-UHFFFAOYSA-N -1 1 361.361 2.490 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(OC)c(O)c1 ZINC000436915369 559956261 /nfs/dbraw/zinc/95/62/61/559956261.db2.gz OFOCLKNCOIKOPJ-HNNXBMFYSA-N -1 1 365.769 2.404 20 0 FEADMM NC(=O)[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(Br)c1 ZINC000436967631 559957818 /nfs/dbraw/zinc/95/78/18/559957818.db2.gz XUSSZJUCGCTDFB-CYBMUJFWSA-N -1 1 367.174 2.250 20 0 FEADMM CN1C(=O)C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000436994145 559958958 /nfs/dbraw/zinc/95/89/58/559958958.db2.gz KJXWWROWHYHPOQ-WBVHZDCISA-N -1 1 372.808 2.317 20 0 FEADMM CNc1nc(C)cc(C(=O)Nc2cc(C)cc(Br)c2[O-])n1 ZINC000437000845 559959225 /nfs/dbraw/zinc/95/92/25/559959225.db2.gz PUSKLYSOLXNXAY-UHFFFAOYSA-N -1 1 351.204 2.856 20 0 FEADMM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000438773797 559983449 /nfs/dbraw/zinc/98/34/49/559983449.db2.gz PZFOGEIQGICART-UHFFFAOYSA-N -1 1 353.400 2.052 20 0 FEADMM COc1ccc(-c2nc(NC(=O)C(=O)c3ccc([O-])cc3)n[nH]2)c(OC)c1 ZINC000438910190 559985518 /nfs/dbraw/zinc/98/55/18/559985518.db2.gz GKVQAVZXZFUKFS-UHFFFAOYSA-N -1 1 368.349 2.016 20 0 FEADMM CNS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442862314 560060119 /nfs/dbraw/zinc/06/01/19/560060119.db2.gz VNXVCIXUFFEUHR-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000443115557 560071319 /nfs/dbraw/zinc/07/13/19/560071319.db2.gz NFSBYMAIPOTAIK-UHFFFAOYSA-N -1 1 371.846 2.453 20 0 FEADMM CC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ncc[nH]1 ZINC000443135233 560072281 /nfs/dbraw/zinc/07/22/81/560072281.db2.gz VMXYRGIXTLEOMB-HNNXBMFYSA-N -1 1 366.425 2.476 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000443936129 560096636 /nfs/dbraw/zinc/09/66/36/560096636.db2.gz DNBHHDOPSHAFEF-GWCFXTLKSA-N -1 1 369.409 2.490 20 0 FEADMM C[C@H]1C[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC(=O)N1 ZINC000444347354 560110298 /nfs/dbraw/zinc/11/02/98/560110298.db2.gz VKJIYQNTYYBMFV-STQMWFEESA-N -1 1 373.453 2.308 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3ccsc3C)CC2)n1 ZINC000444668434 560117846 /nfs/dbraw/zinc/11/78/46/560117846.db2.gz VPLYSFOZEUDSIB-UHFFFAOYSA-N -1 1 362.455 2.300 20 0 FEADMM Cc1ncc(S(=O)(=O)[N-]c2cccc(N3CC[NH+]=C3[O-])c2C)s1 ZINC000447261119 560158913 /nfs/dbraw/zinc/15/89/13/560158913.db2.gz SFKXJRBBVMOECA-UHFFFAOYSA-N -1 1 352.441 2.090 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c[nH]cc3C)c2)n1 ZINC000447678190 560166797 /nfs/dbraw/zinc/16/67/97/560166797.db2.gz YHWJQHZQGNKBJI-UHFFFAOYSA-N -1 1 353.382 2.215 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccc(F)c(C)c1 ZINC000447751381 560168404 /nfs/dbraw/zinc/16/84/04/560168404.db2.gz AMNABNSCVLYLJY-OAHLLOKOSA-N -1 1 352.387 2.030 20 0 FEADMM COc1cc(NC(=O)CCCC(=O)C2CC2)ccc1[N-]S(C)(=O)=O ZINC000448679729 560193864 /nfs/dbraw/zinc/19/38/64/560193864.db2.gz FHKZVRGWUKICGF-UHFFFAOYSA-N -1 1 354.428 2.155 20 0 FEADMM Cc1nc(C)n(CCCC(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)n1 ZINC000450132814 560251695 /nfs/dbraw/zinc/25/16/95/560251695.db2.gz QQAIYBFGIOPWFG-UHFFFAOYSA-N -1 1 360.368 2.982 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1C ZINC000451109683 560287636 /nfs/dbraw/zinc/28/76/36/560287636.db2.gz BUMAXCRWCSWUGP-UHFFFAOYSA-N -1 1 366.443 2.058 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)NCC1CC1 ZINC000451377835 560303393 /nfs/dbraw/zinc/30/33/93/560303393.db2.gz RTJOQYHHCHMRIZ-UHFFFAOYSA-N -1 1 358.872 2.359 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000451476023 560309324 /nfs/dbraw/zinc/30/93/24/560309324.db2.gz DLAIIFLKFIBLIQ-KGLIPLIRSA-N -1 1 351.827 2.093 20 0 FEADMM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000451780586 560328115 /nfs/dbraw/zinc/32/81/15/560328115.db2.gz WFMFPXZCOGXDQO-HTQZYQBOSA-N -1 1 360.284 2.385 20 0 FEADMM COCC(COC)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000451886272 560334693 /nfs/dbraw/zinc/33/46/93/560334693.db2.gz CWLVPHIBQLWCKU-UHFFFAOYSA-N -1 1 361.769 2.299 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(OC)c3)C2)o1 ZINC000451968537 560341274 /nfs/dbraw/zinc/34/12/74/560341274.db2.gz UADCLMVDONEVSE-JOCQHMNTSA-N -1 1 365.407 2.299 20 0 FEADMM CCCn1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1C1CC1 ZINC000452963318 560379367 /nfs/dbraw/zinc/37/93/67/560379367.db2.gz FNHJSSVSEBVOBB-UHFFFAOYSA-N -1 1 368.397 2.481 20 0 FEADMM CCN(C)C(=O)[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(C)C ZINC000456052698 560505597 /nfs/dbraw/zinc/50/55/97/560505597.db2.gz AMVNCAFBMABKSH-ZDUSSCGKSA-N -1 1 357.248 2.387 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(n2)CCC3)o1 ZINC000456641295 560526994 /nfs/dbraw/zinc/52/69/94/560526994.db2.gz MSAXQGRLRDLRCR-UHFFFAOYSA-N -1 1 363.439 2.492 20 0 FEADMM CO[C@@H]1C[C@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456663499 560527829 /nfs/dbraw/zinc/52/78/29/560527829.db2.gz VVUBTEHNVINKGM-LSDHHAIUSA-N -1 1 358.442 2.010 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1ccc([O-])c(F)c1F ZINC000456792217 560533043 /nfs/dbraw/zinc/53/30/43/560533043.db2.gz HUBJIHUTPOMWMY-BPYAMOTFSA-N -1 1 371.409 2.335 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc([O-])c(F)c1F ZINC000456792224 560533086 /nfs/dbraw/zinc/53/30/86/560533086.db2.gz HUBJIHUTPOMWMY-ZSGNIPIJSA-N -1 1 371.409 2.335 20 0 FEADMM CCOc1cccc(CN(CCO)C(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000456958559 560540440 /nfs/dbraw/zinc/54/04/40/560540440.db2.gz DPGNNPUASYKZTA-UHFFFAOYSA-N -1 1 361.467 2.751 20 0 FEADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1C ZINC000457986250 560598201 /nfs/dbraw/zinc/59/82/01/560598201.db2.gz OGVQBDTVTADRRJ-UHFFFAOYSA-N -1 1 365.455 2.298 20 0 FEADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3n[nH]c(C(C)(C)C)n3)n2)c1 ZINC000458029591 560600084 /nfs/dbraw/zinc/60/00/84/560600084.db2.gz PDDJHCOJDJDGOK-UHFFFAOYSA-N -1 1 372.404 2.371 20 0 FEADMM CCOC[C@H]1CCCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000458066022 560601837 /nfs/dbraw/zinc/60/18/37/560601837.db2.gz HNVZNXUGOXWJFS-OAHLLOKOSA-N -1 1 360.458 2.402 20 0 FEADMM CSc1cccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000460421872 560743510 /nfs/dbraw/zinc/74/35/10/560743510.db2.gz FQRVIFYTWVIZAT-UHFFFAOYSA-N -1 1 361.452 2.400 20 0 FEADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1 ZINC000460444292 560743697 /nfs/dbraw/zinc/74/36/97/560743697.db2.gz DELFKKLHNMWMCY-UHFFFAOYSA-N -1 1 373.438 2.465 20 0 FEADMM Cc1ccc(NS(=O)(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000460455056 560743945 /nfs/dbraw/zinc/74/39/45/560743945.db2.gz NWVKULDONIYXLD-UHFFFAOYSA-N -1 1 369.468 2.014 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2nc3cccc(C(=O)OC)c3[nH]2)s1 ZINC000461421716 560771023 /nfs/dbraw/zinc/77/10/23/560771023.db2.gz IWOCUHCKMQFZEX-UHFFFAOYSA-N -1 1 366.424 2.169 20 0 FEADMM CCc1ccc(CCC(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])cc1 ZINC000461436423 560771552 /nfs/dbraw/zinc/77/15/52/560771552.db2.gz OLPKRQNOGHZWEA-UHFFFAOYSA-N -1 1 362.451 2.434 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C/c2ccccc2F)c1 ZINC000461456196 560772101 /nfs/dbraw/zinc/77/21/01/560772101.db2.gz IOIIOBRFEFLGPZ-GQCTYLIASA-N -1 1 364.398 2.481 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000461465994 560773092 /nfs/dbraw/zinc/77/30/92/560773092.db2.gz SUCJWPPGNGPGPJ-UHFFFAOYSA-N -1 1 352.387 2.309 20 0 FEADMM Cc1noc2nc(-c3ccccc3)cc(C(=O)NC(C)(C)c3nn[n-]n3)c12 ZINC000461633640 560777925 /nfs/dbraw/zinc/77/79/25/560777925.db2.gz JYHQVXLMJLATOX-UHFFFAOYSA-N -1 1 363.381 2.376 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1-n1cnnn1 ZINC000462104239 560797321 /nfs/dbraw/zinc/79/73/21/560797321.db2.gz SKJSYHWOLFVACA-UHFFFAOYSA-N -1 1 365.802 2.125 20 0 FEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cnc3onc(C)c3c2)o1 ZINC000462292968 560804746 /nfs/dbraw/zinc/80/47/46/560804746.db2.gz BWAUNTIWHUNVRI-CQSZACIVSA-N -1 1 365.411 2.353 20 0 FEADMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOC1 ZINC000464220356 560836511 /nfs/dbraw/zinc/83/65/11/560836511.db2.gz YTQBEHLSNAHIDG-NSHDSACASA-N -1 1 374.267 2.055 20 0 FEADMM COCCc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000466410476 560886344 /nfs/dbraw/zinc/88/63/44/560886344.db2.gz UKPJFQATOCYLEH-UHFFFAOYSA-N -1 1 364.423 2.340 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cn1C ZINC000467085127 560903379 /nfs/dbraw/zinc/90/33/79/560903379.db2.gz KXLXPRHVFUBUNO-UHFFFAOYSA-N -1 1 364.423 2.401 20 0 FEADMM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000468142774 560923630 /nfs/dbraw/zinc/92/36/30/560923630.db2.gz ZJRFOFOMXWANRC-LBPRGKRZSA-N -1 1 351.472 2.911 20 0 FEADMM COc1cc(NC(=O)CNc2cccc(F)c2)ccc1[N-]S(C)(=O)=O ZINC000468499448 560931760 /nfs/dbraw/zinc/93/17/60/560931760.db2.gz ZTUXEFPKDBUDNB-UHFFFAOYSA-N -1 1 367.402 2.256 20 0 FEADMM Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3nc(=N)[n-]s3)CC2)c(C)c1 ZINC000469286619 560951853 /nfs/dbraw/zinc/95/18/53/560951853.db2.gz XMBCLDAFYLJROK-CQSZACIVSA-N -1 1 374.514 2.195 20 0 FEADMM COc1ccc(C)nc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000471707612 561010686 /nfs/dbraw/zinc/01/06/86/561010686.db2.gz XSVOGFSXMKGIFX-UHFFFAOYSA-N -1 1 365.393 2.446 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000473278039 561046364 /nfs/dbraw/zinc/04/63/64/561046364.db2.gz PJNURJKPWWPPII-UHFFFAOYSA-N -1 1 373.287 2.067 20 0 FEADMM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(=O)[nH]1 ZINC000473937576 561061310 /nfs/dbraw/zinc/06/13/10/561061310.db2.gz AWFKSNDIPNQPDC-UHFFFAOYSA-N -1 1 366.201 2.415 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCNC(=O)CC1CCCC1 ZINC000474305658 561070821 /nfs/dbraw/zinc/07/08/21/561070821.db2.gz VIHFEQRYRFDFSJ-UHFFFAOYSA-N -1 1 362.474 2.214 20 0 FEADMM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1c(C)noc1C)c1cccc(F)c1 ZINC000474391211 561073158 /nfs/dbraw/zinc/07/31/58/561073158.db2.gz MMYDTWIZZHJQRZ-MRXNPFEDSA-N -1 1 370.402 2.187 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nn[n-]n1 ZINC000474487633 561075226 /nfs/dbraw/zinc/07/52/26/561075226.db2.gz GHDYNKNUDINSGV-SECBINFHSA-N -1 1 353.308 2.137 20 0 FEADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NC(C)(C)c2nn[n-]n2)CC1=O ZINC000475013076 561087787 /nfs/dbraw/zinc/08/77/87/561087787.db2.gz IDWGRCGPZOMVIG-CHWSQXEVSA-N -1 1 370.457 2.118 20 0 FEADMM CCCN(C(=O)CNC(=O)c1ncccc1[O-])[C@H]1CCCc2cccnc21 ZINC000475949537 561108376 /nfs/dbraw/zinc/10/83/76/561108376.db2.gz AQRYIJHCXPSLNM-HNNXBMFYSA-N -1 1 368.437 2.228 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1C ZINC000476386940 561118136 /nfs/dbraw/zinc/11/81/36/561118136.db2.gz PRRLZAILJRDQAE-UHFFFAOYSA-N -1 1 353.352 2.182 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)OC)c2)c1 ZINC000476410126 561118797 /nfs/dbraw/zinc/11/87/97/561118797.db2.gz VWEHAELAOSMRKV-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C ZINC000476410001 561118885 /nfs/dbraw/zinc/11/88/85/561118885.db2.gz UXUWRRUZDWDKTK-UHFFFAOYSA-N -1 1 361.379 2.164 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000477058598 561135526 /nfs/dbraw/zinc/13/55/26/561135526.db2.gz PSTAMMYYLOUSIT-UHFFFAOYSA-N -1 1 351.332 2.347 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccnc1N1CCOCC1 ZINC000477111286 561136941 /nfs/dbraw/zinc/13/69/41/561136941.db2.gz YCTSPBBDSXUGCG-UHFFFAOYSA-N -1 1 365.393 2.266 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCN2CC=C(C(C)(C)C)CC2)c1 ZINC000477123090 561137311 /nfs/dbraw/zinc/13/73/11/561137311.db2.gz BTHDPADFBXDBNU-UHFFFAOYSA-N -1 1 370.471 2.023 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCCC12OCCO2)c1ccc(F)cc1 ZINC000528352757 562324359 /nfs/dbraw/zinc/32/43/59/562324359.db2.gz TXYBPZLSHIRKPW-CVEARBPZSA-N -1 1 373.446 2.118 20 0 FEADMM CCn1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000528445620 562329678 /nfs/dbraw/zinc/32/96/78/562329678.db2.gz HFYKXVRWIKIHFT-UHFFFAOYSA-N -1 1 353.206 2.222 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000529021867 562357033 /nfs/dbraw/zinc/35/70/33/562357033.db2.gz PPAPNTBSMWLAKH-DOMZBBRYSA-N -1 1 362.865 2.080 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000530952487 562429827 /nfs/dbraw/zinc/42/98/27/562429827.db2.gz ACMKFCYMNGGDMD-UHFFFAOYSA-N -1 1 371.418 2.079 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1N1CCOCC1)c1cc2ccccc2o1 ZINC000532421168 562477266 /nfs/dbraw/zinc/47/72/66/562477266.db2.gz ZGLUDVWMQKYXHQ-HZPDHXFCSA-N -1 1 364.467 2.355 20 0 FEADMM CCCC(=O)Nc1cccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000533678991 562516017 /nfs/dbraw/zinc/51/60/17/562516017.db2.gz AQFLOIQXNZPZTE-UHFFFAOYSA-N -1 1 365.411 2.179 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(-n4cnnn4)c3)ccc2O1 ZINC000534205439 562527446 /nfs/dbraw/zinc/52/74/46/562527446.db2.gz GDVBONNNMHSSBZ-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3c(F)cccc3CO)c(F)cc2N1 ZINC000534235662 562528144 /nfs/dbraw/zinc/52/81/44/562528144.db2.gz OWPQKKCRQXYYFE-UHFFFAOYSA-N -1 1 368.361 2.143 20 0 FEADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc([S@](C)=O)cc1 ZINC000534389582 562533091 /nfs/dbraw/zinc/53/30/91/562533091.db2.gz GIVUGRUPZBZDTD-FTJNGKRUSA-N -1 1 355.419 2.152 20 0 FEADMM CC1(C)CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)(C(N)=O)CC1 ZINC000535358917 562556728 /nfs/dbraw/zinc/55/67/28/562556728.db2.gz VPXFSVODCQMALO-UHFFFAOYSA-N -1 1 364.389 2.207 20 0 FEADMM CN1C(=O)C[C@@H](NC(=O)c2cncc([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535880137 562570113 /nfs/dbraw/zinc/57/01/13/562570113.db2.gz KLZXEVAYSHJELD-GDBMZVCRSA-N -1 1 363.776 2.282 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C)cc2O)cc1CC(=O)[O-] ZINC000537037195 562584463 /nfs/dbraw/zinc/58/44/63/562584463.db2.gz SQTQNVJHNOLVEF-UHFFFAOYSA-N -1 1 351.380 2.137 20 0 FEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1[nH]nc2ccccc21 ZINC000540782295 562593076 /nfs/dbraw/zinc/59/30/76/562593076.db2.gz PWRWCZGODYVLPC-GOSISDBHSA-N -1 1 362.389 2.399 20 0 FEADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1(C)COC1 ZINC000541095425 562602953 /nfs/dbraw/zinc/60/29/53/562602953.db2.gz GLZOBCKDRRJNIQ-UHFFFAOYSA-N -1 1 374.462 2.482 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c[nH]1 ZINC000541307250 562608519 /nfs/dbraw/zinc/60/85/19/562608519.db2.gz JNCISVDUYKGVRM-JTQLQIEISA-N -1 1 366.395 2.180 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)CCc1ccccc1O ZINC000541526460 562614248 /nfs/dbraw/zinc/61/42/48/562614248.db2.gz HTNADPOCOREFPV-UHFFFAOYSA-N -1 1 368.437 2.391 20 0 FEADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(=O)n3[n-]cnc3n2)o1 ZINC000541836873 562621194 /nfs/dbraw/zinc/62/11/94/562621194.db2.gz XMZXVSRCBZVFGL-BXUZGUMPSA-N -1 1 355.398 2.186 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc2c1OCO2 ZINC000542062109 562626263 /nfs/dbraw/zinc/62/62/63/562626263.db2.gz OXSLGGPYBZGQHU-UHFFFAOYSA-N -1 1 364.361 2.050 20 0 FEADMM COc1ccc(NC(=O)CCc2ccc(O)cc2)cc1[N-]S(C)(=O)=O ZINC000546171792 562634657 /nfs/dbraw/zinc/63/46/57/562634657.db2.gz LADILXTYJWARCY-UHFFFAOYSA-N -1 1 364.423 2.344 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c(C(F)(F)F)n1 ZINC000549778038 562639725 /nfs/dbraw/zinc/63/97/25/562639725.db2.gz ZQMYMURIIXJCPD-NSHDSACASA-N -1 1 369.409 2.049 20 0 FEADMM COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000601763657 567830723 /nfs/dbraw/zinc/83/07/23/567830723.db2.gz FTZFQCXQUZVIGO-SFHVURJKSA-N -1 1 353.390 2.352 20 0 FEADMM CC(C)OC1CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000602194966 567949674 /nfs/dbraw/zinc/94/96/74/567949674.db2.gz JSTNFMBPTDBSMW-UHFFFAOYSA-N -1 1 361.179 2.246 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)CCc2ccccc2C(F)(F)F)n[n-]1 ZINC000603020707 568052371 /nfs/dbraw/zinc/05/23/71/568052371.db2.gz IKSCSYLZNKZLAF-UHFFFAOYSA-N -1 1 370.331 2.249 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2ccccc2C(F)(F)F)n1 ZINC000603020707 568052372 /nfs/dbraw/zinc/05/23/72/568052372.db2.gz IKSCSYLZNKZLAF-UHFFFAOYSA-N -1 1 370.331 2.249 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccc(F)c2SC)n[n-]1 ZINC000603153658 568065351 /nfs/dbraw/zinc/06/53/51/568065351.db2.gz JFXUBCMLOSNYNC-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccc(F)c2SC)[n-]1 ZINC000603153658 568065352 /nfs/dbraw/zinc/06/53/52/568065352.db2.gz JFXUBCMLOSNYNC-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccc(F)c2SC)n1 ZINC000603153658 568065353 /nfs/dbraw/zinc/06/53/53/568065353.db2.gz JFXUBCMLOSNYNC-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CCSc3ccccc32)n[n-]1 ZINC000603154934 568068488 /nfs/dbraw/zinc/06/84/88/568068488.db2.gz NAAUAPZXCHSLOD-PWSUYJOCSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CCSc3ccccc32)[n-]1 ZINC000603154934 568068489 /nfs/dbraw/zinc/06/84/89/568068489.db2.gz NAAUAPZXCHSLOD-PWSUYJOCSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CCSc3ccccc32)n1 ZINC000603154934 568068490 /nfs/dbraw/zinc/06/84/90/568068490.db2.gz NAAUAPZXCHSLOD-PWSUYJOCSA-N -1 1 360.439 2.438 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C2(Cc3ccccc3F)CC2)n[n-]1 ZINC000603156717 568068731 /nfs/dbraw/zinc/06/87/31/568068731.db2.gz SZCGLCPTROMVKR-NSHDSACASA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2(Cc3ccccc3F)CC2)[n-]1 ZINC000603156717 568068732 /nfs/dbraw/zinc/06/87/32/568068732.db2.gz SZCGLCPTROMVKR-NSHDSACASA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2(Cc3ccccc3F)CC2)n1 ZINC000603156717 568068733 /nfs/dbraw/zinc/06/87/33/568068733.db2.gz SZCGLCPTROMVKR-NSHDSACASA-N -1 1 360.389 2.321 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccccc2Br)n[n-]1 ZINC000603161732 568069459 /nfs/dbraw/zinc/06/94/59/568069459.db2.gz GMPATTQCTRQAPU-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccccc2Br)[n-]1 ZINC000603161732 568069460 /nfs/dbraw/zinc/06/94/60/568069460.db2.gz GMPATTQCTRQAPU-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccccc2Br)n1 ZINC000603161732 568069461 /nfs/dbraw/zinc/06/94/61/568069461.db2.gz GMPATTQCTRQAPU-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000604603410 568324079 /nfs/dbraw/zinc/32/40/79/568324079.db2.gz KTSHGRAQGBEBNH-UHFFFAOYSA-N -1 1 374.393 2.262 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CN1c1ccccc1 ZINC000556399145 674400791 /nfs/dbraw/zinc/40/07/91/674400791.db2.gz MPDCQNZTARRZHT-CYBMUJFWSA-N -1 1 354.790 2.173 20 0 FEADMM Cc1nonc1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737547000 598834128 /nfs/dbraw/zinc/83/41/28/598834128.db2.gz GDIUSHGRCROCKW-UHFFFAOYSA-N -1 1 367.394 2.217 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cnccn1 ZINC000738113081 598836881 /nfs/dbraw/zinc/83/68/81/598836881.db2.gz USZBSPZSAWRDMW-UHFFFAOYSA-N -1 1 363.406 2.315 20 0 FEADMM CCOC(=O)CCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736591670 598842312 /nfs/dbraw/zinc/84/23/12/598842312.db2.gz GOSLBMKEZUGMGJ-UHFFFAOYSA-N -1 1 373.369 2.059 20 0 FEADMM CCOC(=O)CCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736591670 598842313 /nfs/dbraw/zinc/84/23/13/598842313.db2.gz GOSLBMKEZUGMGJ-UHFFFAOYSA-N -1 1 373.369 2.059 20 0 FEADMM Nc1nc(C2CC2)ncc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000807117638 674405598 /nfs/dbraw/zinc/40/55/98/674405598.db2.gz ZLFUAPDQSRUHEP-UHFFFAOYSA-N -1 1 350.176 2.052 20 0 FEADMM COCCN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736988725 598890611 /nfs/dbraw/zinc/89/06/11/598890611.db2.gz RAWMWQMTIGHXCK-UHFFFAOYSA-N -1 1 372.454 2.383 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2Nc1ccc(N2CCOCC2)cc1 ZINC000738436894 598934017 /nfs/dbraw/zinc/93/40/17/598934017.db2.gz LFKRPVXPXLSESX-UHFFFAOYSA-N -1 1 374.408 2.390 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Nc1ccc(N2CCOCC2)cc1 ZINC000738436894 598934019 /nfs/dbraw/zinc/93/40/19/598934019.db2.gz LFKRPVXPXLSESX-UHFFFAOYSA-N -1 1 374.408 2.390 20 0 FEADMM c1ccc2c(c1)C[C@H](CNc1c3ccccc3nnc1-c1nnn[n-]1)CO2 ZINC000738435835 598937273 /nfs/dbraw/zinc/93/72/73/598937273.db2.gz BANYPAUGFSCEQN-GFCCVEGCSA-N -1 1 359.393 2.473 20 0 FEADMM c1ccc2c(c1)C[C@H](CNc1c3ccccc3nnc1-c1nn[n-]n1)CO2 ZINC000738435835 598937274 /nfs/dbraw/zinc/93/72/74/598937274.db2.gz BANYPAUGFSCEQN-GFCCVEGCSA-N -1 1 359.393 2.473 20 0 FEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCc2ccc(Cl)cc2)c1 ZINC000736941209 598937702 /nfs/dbraw/zinc/93/77/02/598937702.db2.gz QXNSMWYVUCPTPP-UHFFFAOYSA-N -1 1 373.800 2.101 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c(C)c1O ZINC000737226028 598949214 /nfs/dbraw/zinc/94/92/14/598949214.db2.gz YOKGCWGTNGMVKV-UHFFFAOYSA-N -1 1 359.411 2.298 20 0 FEADMM Cc1cnn([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)c1 ZINC000737445755 598967534 /nfs/dbraw/zinc/96/75/34/598967534.db2.gz URRLHEUDTGTOSA-ZDUSSCGKSA-N -1 1 361.413 2.156 20 0 FEADMM Cc1cnn([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)c1 ZINC000737445755 598967537 /nfs/dbraw/zinc/96/75/37/598967537.db2.gz URRLHEUDTGTOSA-ZDUSSCGKSA-N -1 1 361.413 2.156 20 0 FEADMM Cc1noc(C)c1C[C@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737541273 598971245 /nfs/dbraw/zinc/97/12/45/598971245.db2.gz ZYWPTXTZFAEMHH-VIFPVBQESA-N -1 1 350.386 2.458 20 0 FEADMM Cc1noc(C)c1C[C@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737541273 598971247 /nfs/dbraw/zinc/97/12/47/598971247.db2.gz ZYWPTXTZFAEMHH-VIFPVBQESA-N -1 1 350.386 2.458 20 0 FEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737075310 598985469 /nfs/dbraw/zinc/98/54/69/598985469.db2.gz MDOZFFZADIUVIK-INIZCTEOSA-N -1 1 350.382 2.151 20 0 FEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737075310 598985471 /nfs/dbraw/zinc/98/54/71/598985471.db2.gz MDOZFFZADIUVIK-INIZCTEOSA-N -1 1 350.382 2.151 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)Cc1cccnc1 ZINC000738258176 598987394 /nfs/dbraw/zinc/98/73/94/598987394.db2.gz HEEAGUWALFRZNF-UHFFFAOYSA-N -1 1 361.365 2.092 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)Cc1cccnc1 ZINC000738258176 598987396 /nfs/dbraw/zinc/98/73/96/598987396.db2.gz HEEAGUWALFRZNF-UHFFFAOYSA-N -1 1 361.365 2.092 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737114850 598990021 /nfs/dbraw/zinc/99/00/21/598990021.db2.gz MUQMVAHDDHGFQJ-KRWDZBQOSA-N -1 1 364.409 2.420 20 0 FEADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737114850 598990022 /nfs/dbraw/zinc/99/00/22/598990022.db2.gz MUQMVAHDDHGFQJ-KRWDZBQOSA-N -1 1 364.409 2.420 20 0 FEADMM COc1ccc(CC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737085831 598999212 /nfs/dbraw/zinc/99/92/12/598999212.db2.gz BWRGWMFVBZDGKE-GFCCVEGCSA-N -1 1 352.398 2.021 20 0 FEADMM COc1ccc(CC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737085831 598999214 /nfs/dbraw/zinc/99/92/14/598999214.db2.gz BWRGWMFVBZDGKE-GFCCVEGCSA-N -1 1 352.398 2.021 20 0 FEADMM CCc1csc([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000736702897 599032952 /nfs/dbraw/zinc/03/29/52/599032952.db2.gz YHUCTZIKBPJNPM-LBPRGKRZSA-N -1 1 369.454 2.300 20 0 FEADMM CCc1csc([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000736702897 599032954 /nfs/dbraw/zinc/03/29/54/599032954.db2.gz YHUCTZIKBPJNPM-LBPRGKRZSA-N -1 1 369.454 2.300 20 0 FEADMM CC(=O)Nc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000819826481 599040622 /nfs/dbraw/zinc/04/06/22/599040622.db2.gz JLOFMJKIBCVYDN-UHFFFAOYSA-N -1 1 360.381 2.380 20 0 FEADMM CC(=O)Nc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000819826481 599040623 /nfs/dbraw/zinc/04/06/23/599040623.db2.gz JLOFMJKIBCVYDN-UHFFFAOYSA-N -1 1 360.381 2.380 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000819946770 599082349 /nfs/dbraw/zinc/08/23/49/599082349.db2.gz PWOOFKZMSQTSDZ-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM CC(C)(C)OC(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000819946770 599082351 /nfs/dbraw/zinc/08/23/51/599082351.db2.gz PWOOFKZMSQTSDZ-UHFFFAOYSA-N -1 1 353.386 2.224 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CCCC2 ZINC000737908910 599139777 /nfs/dbraw/zinc/13/97/77/599139777.db2.gz LYDKWMIVHFDSLV-UHFFFAOYSA-N -1 1 363.377 2.180 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CCCC2 ZINC000737908910 599139778 /nfs/dbraw/zinc/13/97/78/599139778.db2.gz LYDKWMIVHFDSLV-UHFFFAOYSA-N -1 1 363.377 2.180 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc2ccccc2c1 ZINC000737908959 599141258 /nfs/dbraw/zinc/14/12/58/599141258.db2.gz NFVVVIOHKPZCBO-UHFFFAOYSA-N -1 1 374.360 2.210 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc2ccccc2c1 ZINC000737908959 599141261 /nfs/dbraw/zinc/14/12/61/599141261.db2.gz NFVVVIOHKPZCBO-UHFFFAOYSA-N -1 1 374.360 2.210 20 0 FEADMM O=C(OCc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738230651 599142604 /nfs/dbraw/zinc/14/26/04/599142604.db2.gz HTKRJCLRVFDSCN-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM O=C(OCc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738230651 599142606 /nfs/dbraw/zinc/14/26/06/599142606.db2.gz HTKRJCLRVFDSCN-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)CO1 ZINC000737423536 599223848 /nfs/dbraw/zinc/22/38/48/599223848.db2.gz QPWDTOPLZQIMGF-GUYCJALGSA-N -1 1 364.409 2.172 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)CO1 ZINC000737423536 599223851 /nfs/dbraw/zinc/22/38/51/599223851.db2.gz QPWDTOPLZQIMGF-GUYCJALGSA-N -1 1 364.409 2.172 20 0 FEADMM CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)[O-])CC2)cc1 ZINC000738858997 596919574 /nfs/dbraw/zinc/91/95/74/596919574.db2.gz AQOJZGMWYUMOIM-CYBMUJFWSA-N -1 1 362.426 2.375 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1 ZINC000819379898 597042930 /nfs/dbraw/zinc/04/29/30/597042930.db2.gz FSNSKJURISBJMH-XAVKZTDYSA-N -1 1 357.410 2.066 20 0 FEADMM CCCN1CCN(c2ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc2Cl)CC1 ZINC000818176395 597174717 /nfs/dbraw/zinc/17/47/17/597174717.db2.gz WYYFJMMKHUDLJR-LBPRGKRZSA-N -1 1 368.865 2.467 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000738286939 597310619 /nfs/dbraw/zinc/31/06/19/597310619.db2.gz INFHGBMAKUSYCL-JTQLQIEISA-N -1 1 368.436 2.060 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000819018737 597534893 /nfs/dbraw/zinc/53/48/93/597534893.db2.gz FWKFIVLZEJVWKN-LSDHHAIUSA-N -1 1 356.426 2.223 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000263492547 597665737 /nfs/dbraw/zinc/66/57/37/597665737.db2.gz RSQXIVNUPOMFLJ-OAHLLOKOSA-N -1 1 369.425 2.470 20 0 FEADMM CCC[C@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])CCN1CCOC ZINC000820310989 598083958 /nfs/dbraw/zinc/08/39/58/598083958.db2.gz KTUSDRGKTKDUAU-INIZCTEOSA-N -1 1 363.458 2.278 20 0 FEADMM CC(C)c1nn(C)c(N2CCOCC2)c1CNCc1cccc(C(=O)[O-])c1 ZINC000820061222 598194464 /nfs/dbraw/zinc/19/44/64/598194464.db2.gz AOYSNVKVGYZKDC-UHFFFAOYSA-N -1 1 372.469 2.368 20 0 FEADMM Fc1cccc(Sc2nnnn2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000737663935 598236146 /nfs/dbraw/zinc/23/61/46/598236146.db2.gz KYOMKGKSMMNCKN-UHFFFAOYSA-N -1 1 354.374 2.192 20 0 FEADMM Cc1cccc2c1CC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737408992 598254214 /nfs/dbraw/zinc/25/42/14/598254214.db2.gz LMVQKVOPAOOARD-INIZCTEOSA-N -1 1 373.413 2.280 20 0 FEADMM CN(Cc1ccc2c(c1)OCCO2)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736820092 598274406 /nfs/dbraw/zinc/27/44/06/598274406.db2.gz LPQKCCMIPFYKJK-UHFFFAOYSA-N -1 1 358.789 2.323 20 0 FEADMM CN(Cc1ccc2c(c1)OCCO2)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736820092 598274408 /nfs/dbraw/zinc/27/44/08/598274408.db2.gz LPQKCCMIPFYKJK-UHFFFAOYSA-N -1 1 358.789 2.323 20 0 FEADMM Clc1ccc(NCc2ccc(-n3ccnc3)nc2)nc1-c1nnn[n-]1 ZINC000737576197 598275520 /nfs/dbraw/zinc/27/55/20/598275520.db2.gz YIXDTPRMWKFDME-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2ccc(-n3ccnc3)nc2)nc1-c1nn[n-]n1 ZINC000737576197 598275521 /nfs/dbraw/zinc/27/55/21/598275521.db2.gz YIXDTPRMWKFDME-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736055943 598429132 /nfs/dbraw/zinc/42/91/32/598429132.db2.gz JUFQKTXKFXIFDO-ZETCQYMHSA-N -1 1 366.212 2.471 20 0 FEADMM Cc1occc1CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822553165 599341376 /nfs/dbraw/zinc/34/13/76/599341376.db2.gz JDAZOPOTTIVMNA-UHFFFAOYSA-N -1 1 367.818 2.242 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@H]1C ZINC000820711168 599346752 /nfs/dbraw/zinc/34/67/52/599346752.db2.gz VAQCRLLSTQJIHG-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820595893 599353429 /nfs/dbraw/zinc/35/34/29/599353429.db2.gz KWAMTOLLSHDLLG-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000820768231 599374309 /nfs/dbraw/zinc/37/43/09/599374309.db2.gz LTYIKFDMVDNVEQ-BZNIZROVSA-N -1 1 373.413 2.388 20 0 FEADMM O=c1[nH]c2ccccc2n1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738372140 599400871 /nfs/dbraw/zinc/40/08/71/599400871.db2.gz OPIBAYYJIVOTHZ-UHFFFAOYSA-N -1 1 362.397 2.159 20 0 FEADMM O=c1[nH]c2ccccc2n1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738372140 599400872 /nfs/dbraw/zinc/40/08/72/599400872.db2.gz OPIBAYYJIVOTHZ-UHFFFAOYSA-N -1 1 362.397 2.159 20 0 FEADMM Fc1ccc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(Cl)c1 ZINC000737649082 599406893 /nfs/dbraw/zinc/40/68/93/599406893.db2.gz LJCOBKQLRWTOID-UHFFFAOYSA-N -1 1 373.823 2.376 20 0 FEADMM COc1ccccc1-c1noc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000821882499 599463531 /nfs/dbraw/zinc/46/35/31/599463531.db2.gz CJZSTVHLKIPWEA-SNVBAGLBSA-N -1 1 367.369 2.369 20 0 FEADMM COc1ccccc1-c1noc([C@@H](C)NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000821882499 599463533 /nfs/dbraw/zinc/46/35/33/599463533.db2.gz CJZSTVHLKIPWEA-SNVBAGLBSA-N -1 1 367.369 2.369 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCCOC[C@@H]1CCOC1 ZINC000823796450 599569945 /nfs/dbraw/zinc/56/99/45/599569945.db2.gz BAUKSULRKVTSPL-ZDUSSCGKSA-N -1 1 354.414 2.270 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCCOC[C@@H]1CCOC1 ZINC000823796450 599569947 /nfs/dbraw/zinc/56/99/47/599569947.db2.gz BAUKSULRKVTSPL-ZDUSSCGKSA-N -1 1 354.414 2.270 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccsc1 ZINC000822010039 599626156 /nfs/dbraw/zinc/62/61/56/599626156.db2.gz LBVJNSQGKQYDJK-UHFFFAOYSA-N -1 1 359.411 2.322 20 0 FEADMM O=C([O-])NCCC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000739939785 599714359 /nfs/dbraw/zinc/71/43/59/599714359.db2.gz MOZNPYVVDMXDAU-UHFFFAOYSA-N -1 1 373.375 2.397 20 0 FEADMM COc1c(C)cc(CN(C)[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000737840431 599721022 /nfs/dbraw/zinc/72/10/22/599721022.db2.gz ZXOBKDFSHBVNQF-HNNXBMFYSA-N -1 1 362.470 2.456 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000380610128 599778820 /nfs/dbraw/zinc/77/88/20/599778820.db2.gz DXLLEGMAJDGWPX-SFHVURJKSA-N -1 1 365.389 2.414 20 0 FEADMM Cc1cc(CNCC(=O)N2CCc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000738390359 599860078 /nfs/dbraw/zinc/86/00/78/599860078.db2.gz YDEIGHGMFXIJOT-UHFFFAOYSA-N -1 1 368.433 2.446 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000736653220 599884084 /nfs/dbraw/zinc/88/40/84/599884084.db2.gz WBVPRRYILOMDMV-ZJUUUORDSA-N -1 1 371.349 2.277 20 0 FEADMM Cc1cncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000822399618 607404693 /nfs/dbraw/zinc/40/46/93/607404693.db2.gz KXHHULJLWLHTTI-AATRIKPKSA-N -1 1 352.402 2.174 20 0 FEADMM Cc1cncc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000822399618 607404695 /nfs/dbraw/zinc/40/46/95/607404695.db2.gz KXHHULJLWLHTTI-AATRIKPKSA-N -1 1 352.402 2.174 20 0 FEADMM C[C@@H](CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CC1)C(=O)[O-] ZINC000736578274 599948821 /nfs/dbraw/zinc/94/88/21/599948821.db2.gz KZUJTORDEVHYPJ-VIFPVBQESA-N -1 1 356.325 2.132 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2)CC1 ZINC000737529444 599950071 /nfs/dbraw/zinc/95/00/71/599950071.db2.gz WWCPCEUVASINOS-UHFFFAOYSA-N -1 1 369.421 2.090 20 0 FEADMM CNC(=O)c1ccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC000737545881 599976725 /nfs/dbraw/zinc/97/67/25/599976725.db2.gz GGXCFISHEGAWMM-HNNXBMFYSA-N -1 1 367.449 2.455 20 0 FEADMM Cc1sc(NC(=O)CN[C@@](C)(CO)c2ccccc2)c(C(=O)[O-])c1C ZINC000738399459 600142838 /nfs/dbraw/zinc/14/28/38/600142838.db2.gz RGNRCEPEZVDGJV-SFHVURJKSA-N -1 1 362.451 2.499 20 0 FEADMM COC(=O)c1cc(NC(=O)c2nnc3ccccc3c2O)cc(C(=O)[O-])c1 ZINC000737665007 600173935 /nfs/dbraw/zinc/17/39/35/600173935.db2.gz KLVOUJQPQFZEHT-UHFFFAOYSA-N -1 1 367.317 2.073 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(CC(F)(F)F)cs2)o1 ZINC000558074149 674482103 /nfs/dbraw/zinc/48/21/03/674482103.db2.gz OVQXXTXQOXPESL-UHFFFAOYSA-N -1 1 369.346 2.001 20 0 FEADMM COC(=O)[C@@H]1CC12CCN([C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC000737578513 600291079 /nfs/dbraw/zinc/29/10/79/600291079.db2.gz DUYWJZJBUSGPFC-ZFWWWQNUSA-N -1 1 374.437 2.295 20 0 FEADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCC(=O)N(C)CC(=O)[O-] ZINC000738754532 600292723 /nfs/dbraw/zinc/29/27/23/600292723.db2.gz KYZJGBSMQGDNFN-UHFFFAOYSA-N -1 1 372.469 2.162 20 0 FEADMM O=C([O-])NCc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000740000187 600303781 /nfs/dbraw/zinc/30/37/81/600303781.db2.gz HFCYNGCATPOZGW-UHFFFAOYSA-N -1 1 364.379 2.026 20 0 FEADMM CC(C)Oc1cccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736493873 600305944 /nfs/dbraw/zinc/30/59/44/600305944.db2.gz DSDOAVYMCAMHEN-QGZVFWFLSA-N -1 1 360.454 2.277 20 0 FEADMM CCOCc1ccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737177833 600309022 /nfs/dbraw/zinc/30/90/22/600309022.db2.gz MMZQFIYMTBTCMM-KRWDZBQOSA-N -1 1 360.454 2.026 20 0 FEADMM C[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736596296 600345825 /nfs/dbraw/zinc/34/58/25/600345825.db2.gz UKMAYIHCUUWEDS-CRAIPNDOSA-N -1 1 371.481 2.330 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000737358508 600347040 /nfs/dbraw/zinc/34/70/40/600347040.db2.gz NWODDNZHYNBUSH-HZPDHXFCSA-N -1 1 363.433 2.325 20 0 FEADMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736210216 600443670 /nfs/dbraw/zinc/44/36/70/600443670.db2.gz WZOPJVREMNSVTM-HUUCEWRRSA-N -1 1 372.469 2.386 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738168415 600447265 /nfs/dbraw/zinc/44/72/65/600447265.db2.gz OJDMQWFFHPPHRG-CQSZACIVSA-N -1 1 367.354 2.180 20 0 FEADMM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)o1 ZINC000740133109 600525126 /nfs/dbraw/zinc/52/51/26/600525126.db2.gz VNPBKLPXYGMRIO-UHFFFAOYSA-N -1 1 355.350 2.429 20 0 FEADMM CN(Cc1ccc(Cl)s1)C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000737472133 600538120 /nfs/dbraw/zinc/53/81/20/600538120.db2.gz NNEWLDRHPRQNEX-LBPRGKRZSA-N -1 1 374.890 2.316 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000738901038 600613143 /nfs/dbraw/zinc/61/31/43/600613143.db2.gz KXDFKRIAXZEHCX-UHFFFAOYSA-N -1 1 367.427 2.345 20 0 FEADMM COCCC(C)(C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000809250379 674488928 /nfs/dbraw/zinc/48/89/28/674488928.db2.gz IGWUHWIHQJHRQJ-SRVKXCTJSA-N -1 1 352.397 2.353 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)cs1 ZINC000588834365 600679720 /nfs/dbraw/zinc/67/97/20/600679720.db2.gz IKPJPMXRPYOSKR-UHFFFAOYSA-N -1 1 351.365 2.297 20 0 FEADMM CS(=O)(=O)Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832681595 600745417 /nfs/dbraw/zinc/74/54/17/600745417.db2.gz DKPJZBCVKNMFJM-MRXNPFEDSA-N -1 1 351.399 2.286 20 0 FEADMM CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000828424573 600792650 /nfs/dbraw/zinc/79/26/50/600792650.db2.gz QNIOWZZYJIYGRH-GXFFZTMASA-N -1 1 360.863 2.045 20 0 FEADMM C[C@H](C(=O)NCC(=O)[O-])N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000736210296 600793957 /nfs/dbraw/zinc/79/39/57/600793957.db2.gz XSHHCDBSIWQPQN-LLVKDONJSA-N -1 1 369.259 2.002 20 0 FEADMM Cc1sc(NC(=O)CN2CCN3CCCC[C@H]3C2)c(C(=O)[O-])c1C ZINC000833037113 600827204 /nfs/dbraw/zinc/82/72/04/600827204.db2.gz WICVDLKXOKUCOU-ZDUSSCGKSA-N -1 1 351.472 2.172 20 0 FEADMM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)Cc1ccn[nH]1 ZINC000827957803 600921617 /nfs/dbraw/zinc/92/16/17/600921617.db2.gz PXEJTDHVHZTIJY-LBPRGKRZSA-N -1 1 354.366 2.428 20 0 FEADMM CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825396011 607481286 /nfs/dbraw/zinc/48/12/86/607481286.db2.gz ZKEIRHSWAPAKMN-UHFFFAOYSA-N -1 1 373.367 2.001 20 0 FEADMM CCCCN(C)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000829381552 600980916 /nfs/dbraw/zinc/98/09/16/600980916.db2.gz ZEWIEABPBPWLPZ-UHFFFAOYSA-N -1 1 366.443 2.005 20 0 FEADMM O=C([O-])CCc1nc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)no1 ZINC000739772443 600987507 /nfs/dbraw/zinc/98/75/07/600987507.db2.gz OBHGXNBEOINBKA-UHFFFAOYSA-N -1 1 367.337 2.442 20 0 FEADMM C[C@@H](NC(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1ccc(Br)cc1 ZINC000827637046 601037886 /nfs/dbraw/zinc/03/78/86/601037886.db2.gz QNETUZRJCMBLJX-HWPZZCPQSA-N -1 1 369.259 2.469 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000630222649 601086133 /nfs/dbraw/zinc/08/61/33/601086133.db2.gz HADMZTQOBCDCHG-OAHLLOKOSA-N -1 1 371.437 2.282 20 0 FEADMM COc1ccc(SCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000630224404 601086339 /nfs/dbraw/zinc/08/63/39/601086339.db2.gz PCZDNSRMQVZEPE-AWEZNQCLSA-N -1 1 366.483 2.185 20 0 FEADMM COc1ccc(CCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000630226188 601088898 /nfs/dbraw/zinc/08/88/98/601088898.db2.gz YDWITODAAUIONZ-ZDUSSCGKSA-N -1 1 368.861 2.289 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1 ZINC000630223660 601089262 /nfs/dbraw/zinc/08/92/62/601089262.db2.gz LNDMJPFQXXPUEY-CYBMUJFWSA-N -1 1 370.396 2.228 20 0 FEADMM CSCc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1F ZINC000600867623 601090702 /nfs/dbraw/zinc/09/07/02/601090702.db2.gz BYTUIPDKLQCISG-GFCCVEGCSA-N -1 1 354.447 2.310 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000630224887 601092740 /nfs/dbraw/zinc/09/27/40/601092740.db2.gz QXLYTSJMDRSGCS-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM COc1ccccc1C[C@H](C)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630221446 601096437 /nfs/dbraw/zinc/09/64/37/601096437.db2.gz ANABEPAEJKEOCK-JKSUJKDBSA-N -1 1 362.470 2.271 20 0 FEADMM COc1ccc(C2(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)CCC2)cc1 ZINC000832265534 601100801 /nfs/dbraw/zinc/10/08/01/601100801.db2.gz PFKKKWOKXJTWRF-HNNXBMFYSA-N -1 1 360.454 2.124 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 ZINC000827374659 601106784 /nfs/dbraw/zinc/10/67/84/601106784.db2.gz KDGWAAAPOJPFDI-CQSZACIVSA-N -1 1 369.421 2.075 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832374140 601123443 /nfs/dbraw/zinc/12/34/43/601123443.db2.gz VOWARTAEEQHKBX-NSHDSACASA-N -1 1 355.822 2.361 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000827368969 601123972 /nfs/dbraw/zinc/12/39/72/601123972.db2.gz LBYYOCFQLARZGJ-NSHDSACASA-N -1 1 357.357 2.301 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000827369396 601127251 /nfs/dbraw/zinc/12/72/51/601127251.db2.gz XBSKFQIPKNOPDB-CYBMUJFWSA-N -1 1 374.441 2.048 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC000828714473 601156077 /nfs/dbraw/zinc/15/60/77/601156077.db2.gz ASRHGHFGFAVPSR-CFAJVAMVSA-N -1 1 368.499 2.252 20 0 FEADMM O=C([O-])C[C@@H](O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000833264504 601207848 /nfs/dbraw/zinc/20/78/48/601207848.db2.gz CDHCHWFCVYTYCJ-SSDOTTSWSA-N -1 1 358.217 2.162 20 0 FEADMM CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829765032 601264827 /nfs/dbraw/zinc/26/48/27/601264827.db2.gz GPEUIXCMZGMUNN-CYBMUJFWSA-N -1 1 360.863 2.143 20 0 FEADMM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000829765152 601264897 /nfs/dbraw/zinc/26/48/97/601264897.db2.gz KJEOTMSVGYIUHR-LBPRGKRZSA-N -1 1 360.863 2.143 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000833183274 601278179 /nfs/dbraw/zinc/27/81/79/601278179.db2.gz RRYSIZWCUFJULY-DLBZAZTESA-N -1 1 366.502 2.276 20 0 FEADMM O=C([O-])CC1(CS(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000833202515 601505117 /nfs/dbraw/zinc/50/51/17/601505117.db2.gz GWQBKRSTAVDZEE-ZDUSSCGKSA-N -1 1 372.512 2.059 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000833011573 601513811 /nfs/dbraw/zinc/51/38/11/601513811.db2.gz LZBSSQIPEQXBCH-YLQAJVPDSA-N -1 1 370.453 2.469 20 0 FEADMM C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425078 601529726 /nfs/dbraw/zinc/52/97/26/601529726.db2.gz WWDUJWFUDSVRRQ-WCABBAIRSA-N -1 1 351.403 2.415 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000832909603 601530563 /nfs/dbraw/zinc/53/05/63/601530563.db2.gz PMURKMCULRJLEJ-XJKSGUPXSA-N -1 1 356.426 2.080 20 0 FEADMM Cc1cc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)[nH]n1 ZINC000832883499 601642540 /nfs/dbraw/zinc/64/25/40/601642540.db2.gz NLQGBORDZGUAQO-CYBMUJFWSA-N -1 1 366.215 2.355 20 0 FEADMM C[C@H](C(=O)[O-])[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000826054896 601652464 /nfs/dbraw/zinc/65/24/64/601652464.db2.gz RZBSNQHLWOACMC-SJCJKPOMSA-N -1 1 373.434 2.060 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCO3)cc(F)c1F ZINC000751147036 601836714 /nfs/dbraw/zinc/83/67/14/601836714.db2.gz XEEIGQBFSJGIRL-UHFFFAOYSA-N -1 1 371.317 2.235 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000662218015 601839949 /nfs/dbraw/zinc/83/99/49/601839949.db2.gz JXOJCQLWWHGWFE-SFHVURJKSA-N -1 1 373.497 2.206 20 0 FEADMM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000320892939 601842326 /nfs/dbraw/zinc/84/23/26/601842326.db2.gz DZBYAEUVQRWCKY-NSHDSACASA-N -1 1 360.863 2.143 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000828020064 601919690 /nfs/dbraw/zinc/91/96/90/601919690.db2.gz IFNBHPOEKKOYLG-YJBOKZPZSA-N -1 1 359.451 2.145 20 0 FEADMM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000832977791 601923921 /nfs/dbraw/zinc/92/39/21/601923921.db2.gz YPUSXJWUUFNVJZ-SOUVJXGZSA-N -1 1 350.484 2.453 20 0 FEADMM CN(CCC1CCOCC1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830755807 601966127 /nfs/dbraw/zinc/96/61/27/601966127.db2.gz DOTMEUUYJKODRI-CQSZACIVSA-N -1 1 352.456 2.300 20 0 FEADMM O=C([O-])c1ccc(OCCN(CCO)Cc2cccnc2)c(Cl)c1 ZINC000833321385 602019684 /nfs/dbraw/zinc/01/96/84/602019684.db2.gz CTOLCKCQHJEOKY-UHFFFAOYSA-N -1 1 350.802 2.307 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)N2CCCC2)o1 ZINC000738262037 602020096 /nfs/dbraw/zinc/02/00/96/602020096.db2.gz SOAKHGHVBJRBBP-CABCVRRESA-N -1 1 364.446 2.167 20 0 FEADMM O=C(c1ccc(SCc2ccnc(-c3nnn[n-]3)c2)nc1)N1CCCC1 ZINC000826473795 607539635 /nfs/dbraw/zinc/53/96/35/607539635.db2.gz OJGMEPNVGBQBRG-UHFFFAOYSA-N -1 1 367.438 2.185 20 0 FEADMM O=C(c1ccc(SCc2ccnc(-c3nn[n-]n3)c2)nc1)N1CCCC1 ZINC000826473795 607539636 /nfs/dbraw/zinc/53/96/36/607539636.db2.gz OJGMEPNVGBQBRG-UHFFFAOYSA-N -1 1 367.438 2.185 20 0 FEADMM O=C([O-])NCCN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000740659110 602050790 /nfs/dbraw/zinc/05/07/90/602050790.db2.gz PSOAABOICRQAJR-ZDUSSCGKSA-N -1 1 359.348 2.226 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1ccsc1 ZINC000739607725 602087113 /nfs/dbraw/zinc/08/71/13/602087113.db2.gz KHLKCYTXKJCNNF-OCCSQVGLSA-N -1 1 354.476 2.040 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000739239667 602123866 /nfs/dbraw/zinc/12/38/66/602123866.db2.gz SMSUNZTXQOMGOU-WMLDXEAASA-N -1 1 362.474 2.055 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCCN1C(=O)[O-])c1ccco1 ZINC000739409424 602143132 /nfs/dbraw/zinc/14/31/32/602143132.db2.gz XTKIZAVIQIPAKT-GJZGRUSLSA-N -1 1 366.462 2.494 20 0 FEADMM CCCc1nc(=NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s[n-]1 ZINC000558458468 674497237 /nfs/dbraw/zinc/49/72/37/674497237.db2.gz HMDDGSMCEJVKKO-NSHDSACASA-N -1 1 361.475 2.320 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC3(CCC3)C2)c1 ZINC000831363569 602239607 /nfs/dbraw/zinc/23/96/07/602239607.db2.gz DPDQZXUIGLERAN-LBPRGKRZSA-N -1 1 360.410 2.374 20 0 FEADMM CCOc1ccc(-c2noc(CNC3(CC(=O)[O-])CCOCC3)n2)cc1 ZINC000830053888 602256447 /nfs/dbraw/zinc/25/64/47/602256447.db2.gz BKOUXNCEXAMDOV-UHFFFAOYSA-N -1 1 361.398 2.249 20 0 FEADMM COc1ccc(O)c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000759169566 602309137 /nfs/dbraw/zinc/30/91/37/602309137.db2.gz ODUQCBXYJQTIQL-UHFFFAOYSA-N -1 1 359.306 2.178 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1F ZINC000831434854 602322672 /nfs/dbraw/zinc/32/26/72/602322672.db2.gz HJSHGBUPVKDAHY-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COc1cccc([C@H](CNC(=O)C2CCC(NC(=O)[O-])CC2)N(C)C)c1 ZINC000739946901 602351318 /nfs/dbraw/zinc/35/13/18/602351318.db2.gz YHGKDNLRDDPHKR-PGEKIEPBSA-N -1 1 363.458 2.241 20 0 FEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C2CCCC2)CC1 ZINC000740728438 602379407 /nfs/dbraw/zinc/37/94/07/602379407.db2.gz WIDPBEUXUSQKGQ-GOSISDBHSA-N -1 1 357.454 2.178 20 0 FEADMM Cc1ccn(-c2ccccc2NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC000832982338 602382388 /nfs/dbraw/zinc/38/23/88/602382388.db2.gz CBKOTRJHNUEWAH-HNNXBMFYSA-N -1 1 371.441 2.193 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1F)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738630936 602382408 /nfs/dbraw/zinc/38/24/08/602382408.db2.gz TWNKCDBQKUURCG-CYBMUJFWSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)c2ccc(F)c(NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000739182537 602495223 /nfs/dbraw/zinc/49/52/23/602495223.db2.gz OTWRYCLPHHSQAN-VXGBXAGGSA-N -1 1 353.394 2.145 20 0 FEADMM Cc1[nH]c(SCC(=O)N[C@H]2CCN(C(=O)[O-])C2)nc1Cc1ccccc1 ZINC000740036056 602532884 /nfs/dbraw/zinc/53/28/84/602532884.db2.gz UYRJKNRARPYJGH-AWEZNQCLSA-N -1 1 374.466 2.270 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000738962027 602533228 /nfs/dbraw/zinc/53/32/28/602533228.db2.gz QEYMSGQMIKNLNL-STQMWFEESA-N -1 1 353.850 2.449 20 0 FEADMM CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739659292 602536213 /nfs/dbraw/zinc/53/62/13/602536213.db2.gz HRKWBIUVPROKIA-LLVKDONJSA-N -1 1 359.879 2.292 20 0 FEADMM CCCN(CC(=O)NCCc1c(F)cccc1F)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352560 602543126 /nfs/dbraw/zinc/54/31/26/602543126.db2.gz DGAVSLSNQRAYIT-ZDUSSCGKSA-N -1 1 369.412 2.088 20 0 FEADMM CCCN(CC(=O)NCc1ccc(C)c(F)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353243 602545257 /nfs/dbraw/zinc/54/52/57/602545257.db2.gz IHGQGKZQRQYRPI-OAHLLOKOSA-N -1 1 351.422 2.215 20 0 FEADMM CC(=O)c1cc(C)ccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000824010348 607574982 /nfs/dbraw/zinc/57/49/82/607574982.db2.gz JZQHVXNZLQVHRR-UHFFFAOYSA-N -1 1 372.406 2.454 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N2CCCC2)o1 ZINC000740118078 602626799 /nfs/dbraw/zinc/62/67/99/602626799.db2.gz OVSSEFFYLZINFI-OCCSQVGLSA-N -1 1 352.435 2.022 20 0 FEADMM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305739 607577324 /nfs/dbraw/zinc/57/73/24/607577324.db2.gz HITCNFGTUQBWLL-LLVKDONJSA-N -1 1 361.402 2.354 20 0 FEADMM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305739 607577326 /nfs/dbraw/zinc/57/73/26/607577326.db2.gz HITCNFGTUQBWLL-LLVKDONJSA-N -1 1 361.402 2.354 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740245014 602653342 /nfs/dbraw/zinc/65/33/42/602653342.db2.gz DTSFEPQZDBGHNS-UHFFFAOYSA-N -1 1 362.770 2.412 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000739002304 602689812 /nfs/dbraw/zinc/68/98/12/602689812.db2.gz HHYJKWIQVCDHSI-JSGCOSHPSA-N -1 1 368.503 2.429 20 0 FEADMM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000740426190 602690733 /nfs/dbraw/zinc/69/07/33/602690733.db2.gz JRODHHFLSUZOAN-LSDHHAIUSA-N -1 1 364.446 2.106 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000739009030 602697953 /nfs/dbraw/zinc/69/79/53/602697953.db2.gz JDWPFVKOOATUJR-OAHLLOKOSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1ccc(CC(=O)N2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000740120926 602704762 /nfs/dbraw/zinc/70/47/62/602704762.db2.gz BOYNCFKCXREWSU-GOSISDBHSA-N -1 1 359.470 2.072 20 0 FEADMM C[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000738993277 602733021 /nfs/dbraw/zinc/73/30/21/602733021.db2.gz CLBGRWZUCIQHIM-JTQLQIEISA-N -1 1 374.363 2.052 20 0 FEADMM NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000809728549 674507486 /nfs/dbraw/zinc/50/74/86/674507486.db2.gz BBTOZEWVRKGZCY-SFHVURJKSA-N -1 1 359.857 2.390 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc2)CC1 ZINC000739736168 602790741 /nfs/dbraw/zinc/79/07/41/602790741.db2.gz CJNFRRQIHOAZBW-UHFFFAOYSA-N -1 1 362.474 2.199 20 0 FEADMM C[C@H](CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)NC(=O)[O-] ZINC000824571252 602804483 /nfs/dbraw/zinc/80/44/83/602804483.db2.gz HXUOOLQYLHQIAP-GFCCVEGCSA-N -1 1 357.414 2.224 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738784337 602827445 /nfs/dbraw/zinc/82/74/45/602827445.db2.gz FRFHUBFOBKINPV-HUUCEWRRSA-N -1 1 366.462 2.398 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H]1c1ccccc1 ZINC000826495100 607589781 /nfs/dbraw/zinc/58/97/81/607589781.db2.gz CJYISSPWWGXZTI-CQSZACIVSA-N -1 1 359.386 2.142 20 0 FEADMM Cc1nnc([C@@H](C)NC(=O)c2cc(I)ccc2[O-])o1 ZINC000558719191 674512951 /nfs/dbraw/zinc/51/29/51/674512951.db2.gz RCUHXAPOPPUMSV-ZCFIWIBFSA-N -1 1 373.150 2.179 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826283258 607592941 /nfs/dbraw/zinc/59/29/41/607592941.db2.gz NODYVXMGCIXXHI-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826283258 607592942 /nfs/dbraw/zinc/59/29/42/607592942.db2.gz NODYVXMGCIXXHI-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM C[C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824928221 607595477 /nfs/dbraw/zinc/59/54/77/607595477.db2.gz SJVAJUOJWUZYNJ-MNOVXSKESA-N -1 1 353.423 2.110 20 0 FEADMM C[C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824928221 607595479 /nfs/dbraw/zinc/59/54/79/607595479.db2.gz SJVAJUOJWUZYNJ-MNOVXSKESA-N -1 1 353.423 2.110 20 0 FEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739606887 603027560 /nfs/dbraw/zinc/02/75/60/603027560.db2.gz HHPYNAJEDKXKNC-QZTJIDSGSA-N -1 1 355.438 2.284 20 0 FEADMM Cc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cn1 ZINC000740106648 603056381 /nfs/dbraw/zinc/05/63/81/603056381.db2.gz FVFNMPOSTSUZKG-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM Cc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cn1 ZINC000740106648 603056387 /nfs/dbraw/zinc/05/63/87/603056387.db2.gz FVFNMPOSTSUZKG-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM COCCN(CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC000739818684 603095773 /nfs/dbraw/zinc/09/57/73/603095773.db2.gz ZPHQNPLMWPOIEP-OAHLLOKOSA-N -1 1 360.414 2.161 20 0 FEADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826404156 607612763 /nfs/dbraw/zinc/61/27/63/607612763.db2.gz PWSLHVFVPXNHOB-CQSZACIVSA-N -1 1 359.773 2.082 20 0 FEADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826404156 607612764 /nfs/dbraw/zinc/61/27/64/607612764.db2.gz PWSLHVFVPXNHOB-CQSZACIVSA-N -1 1 359.773 2.082 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccc(OC)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352727 603236487 /nfs/dbraw/zinc/23/64/87/603236487.db2.gz WKSQDCWUJNZVTB-MRXNPFEDSA-N -1 1 363.458 2.118 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1 ZINC000739601212 603244104 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C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNCc1c(Cl)nc(Cl)n1C ZINC000826126851 603564773 /nfs/dbraw/zinc/56/47/73/603564773.db2.gz QEYNERIIFGFXTM-HTQZYQBOSA-N -1 1 351.234 2.320 20 0 FEADMM C[C@H]1CC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H](C)C1 ZINC000824875975 607639492 /nfs/dbraw/zinc/63/94/92/607639492.db2.gz PZKTZPRGTGPIGR-NXEZZACHSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@H]1CC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824875975 607639494 /nfs/dbraw/zinc/63/94/94/607639494.db2.gz PZKTZPRGTGPIGR-NXEZZACHSA-N -1 1 353.423 2.109 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000830257669 603644406 /nfs/dbraw/zinc/64/44/06/603644406.db2.gz WDPZJGBDMPXMEV-HUUCEWRRSA-N -1 1 364.446 2.119 20 0 FEADMM CC[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825194924 607642879 /nfs/dbraw/zinc/64/28/79/607642879.db2.gz SYWDCHNSDVDRSX-WDEREUQCSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825194924 607642880 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CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H]1Cn1cnc2ccccc21)C(=O)[O-] ZINC000833639659 604718884 /nfs/dbraw/zinc/71/88/84/604718884.db2.gz QAWLNDCYSYWFDF-YZVOILCLSA-N -1 1 372.469 2.116 20 0 FEADMM COc1cc(OC)c(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000832030218 604746357 /nfs/dbraw/zinc/74/63/57/604746357.db2.gz HMWHTUDLFYABGA-JTQLQIEISA-N -1 1 370.833 2.481 20 0 FEADMM O=C([O-])CC1(NCc2nc(-c3ccc(F)c(F)c3)no2)CCOCC1 ZINC000833206001 604794956 /nfs/dbraw/zinc/79/49/56/604794956.db2.gz UHEHXKFICCCNQJ-UHFFFAOYSA-N -1 1 353.325 2.128 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)cc1C(=O)[O-] ZINC000833055562 604801858 /nfs/dbraw/zinc/80/18/58/604801858.db2.gz ZAPXWKWWFBYBHP-UHFFFAOYSA-N -1 1 363.367 2.234 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NC(C)(C)CNC(=O)[O-])n2)cc1 ZINC000830160105 604830014 /nfs/dbraw/zinc/83/00/14/604830014.db2.gz NINMBPYNPVAOOX-UHFFFAOYSA-N -1 1 363.443 2.035 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C[C@@H]1CC1(Cl)Cl ZINC000826294785 607717914 /nfs/dbraw/zinc/71/79/14/607717914.db2.gz CEYGDMSVGSQKIV-QMMMGPOBSA-N -1 1 351.197 2.079 20 0 FEADMM COC(=O)c1cncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833718005 604884544 /nfs/dbraw/zinc/88/45/44/604884544.db2.gz YDCQBEDLAMDUJR-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000833421596 604954838 /nfs/dbraw/zinc/95/48/38/604954838.db2.gz SVUDGNONMMREQD-NSHDSACASA-N -1 1 362.386 2.091 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3CN(C)C(=O)[O-])n[nH]2)c1 ZINC000829532196 604968661 /nfs/dbraw/zinc/96/86/61/604968661.db2.gz XWWKULRJPONZLU-CYBMUJFWSA-N -1 1 358.398 2.300 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000833412989 604992508 /nfs/dbraw/zinc/99/25/08/604992508.db2.gz ACKGBEQIIBVBAK-QMMMGPOBSA-N -1 1 361.514 2.268 20 0 FEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2nnc(CCCC(=O)[O-])s2)n[nH]1 ZINC000833512561 605019736 /nfs/dbraw/zinc/01/97/36/605019736.db2.gz PVJQWQMWWTVPMP-MRVPVSSYSA-N -1 1 367.435 2.070 20 0 FEADMM CN(C(=O)CN1CCC[C@H](C[C@H]2CCOC2)C1)c1ccccc1C(=O)[O-] ZINC000833684817 605020047 /nfs/dbraw/zinc/02/00/47/605020047.db2.gz ULQHCUOWGLAQOM-HZPDHXFCSA-N -1 1 360.454 2.486 20 0 FEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833612570 605026478 /nfs/dbraw/zinc/02/64/78/605026478.db2.gz VGSRCDAXYGWHNX-TXEJJXNPSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000833622671 605052834 /nfs/dbraw/zinc/05/28/34/605052834.db2.gz FSVLSEBMENEFHP-INIZCTEOSA-N -1 1 361.486 2.446 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000833622625 605053047 /nfs/dbraw/zinc/05/30/47/605053047.db2.gz DUMJYGYYCRRVIT-AWEZNQCLSA-N -1 1 365.449 2.294 20 0 FEADMM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833541166 605076625 /nfs/dbraw/zinc/07/66/25/605076625.db2.gz ZUIGJXZDCACVPL-SDBXPKJASA-N -1 1 372.208 2.296 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000833767896 605083450 /nfs/dbraw/zinc/08/34/50/605083450.db2.gz TZSQOFVESKMJLA-ZDUSSCGKSA-N -1 1 360.757 2.144 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000833627539 605113212 /nfs/dbraw/zinc/11/32/12/605113212.db2.gz XUYBOMURDAIHET-NSHDSACASA-N -1 1 360.332 2.206 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CSc1n[nH]c(=S)s1 ZINC000832230809 605150159 /nfs/dbraw/zinc/15/01/59/605150159.db2.gz IQFQFDHCJZBYFJ-CBLAIPOGSA-N -1 1 374.513 2.099 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000833623898 605158739 /nfs/dbraw/zinc/15/87/39/605158739.db2.gz GWFQWVWMEUVKEH-MRXNPFEDSA-N -1 1 359.470 2.298 20 0 FEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C[C@@H]1C ZINC000833655927 605161704 /nfs/dbraw/zinc/16/17/04/605161704.db2.gz HPGOJJQQFVWBPW-RYUDHWBXSA-N -1 1 363.414 2.118 20 0 FEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CCN1C ZINC000833598687 605175602 /nfs/dbraw/zinc/17/56/02/605175602.db2.gz WRBGRTYHXMDELQ-JQWIXIFHSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1C1CCCCC1 ZINC000833742849 605182669 /nfs/dbraw/zinc/18/26/69/605182669.db2.gz YBAUAMQCHYJBPG-AWEZNQCLSA-N -1 1 362.474 2.318 20 0 FEADMM O=C([O-])C1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)CC1 ZINC000833772369 605214754 /nfs/dbraw/zinc/21/47/54/605214754.db2.gz XALFVWSEYWSRIL-UHFFFAOYSA-N -1 1 372.425 2.229 20 0 FEADMM C[C@@]1(NS(=O)(=O)c2c(F)cc(F)cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833567942 605244296 /nfs/dbraw/zinc/24/42/96/605244296.db2.gz ATIUATUEECKBEU-YMTOWFKASA-N -1 1 351.346 2.416 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2F)CCN1CCC(=O)[O-] ZINC000833623355 605250218 /nfs/dbraw/zinc/25/02/18/605250218.db2.gz PLUZKVVKTKYHKH-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CCN1CCC(=O)[O-] ZINC000833618411 605254466 /nfs/dbraw/zinc/25/44/66/605254466.db2.gz NPKTYSUGEDLREH-FRRDWIJNSA-N -1 1 352.381 2.076 20 0 FEADMM CCc1cnccc1[C@H](C)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833675405 605273027 /nfs/dbraw/zinc/27/30/27/605273027.db2.gz YESISAQXEKALCZ-IFXJQAMLSA-N -1 1 367.449 2.333 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c(C(=O)[O-])c1C ZINC000833400460 605273485 /nfs/dbraw/zinc/27/34/85/605273485.db2.gz LTHWYGDZBUZCJB-UHFFFAOYSA-N -1 1 372.425 2.204 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(-c2nc(C[C@@H](C)N(C)C(=O)[O-])no2)[nH]n1 ZINC000830845858 605303180 /nfs/dbraw/zinc/30/31/80/605303180.db2.gz JPGRMYHHVNJXRN-MRVPVSSYSA-N -1 1 359.390 2.018 20 0 FEADMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000833823838 605313134 /nfs/dbraw/zinc/31/31/34/605313134.db2.gz ABRKHLUKEJBMRB-YLJYHZDGSA-N -1 1 374.485 2.379 20 0 FEADMM Cc1nc(CN(C)[C@@H]2CCN(Cc3cccc4c3N(C(=O)[O-])CC4)C2)no1 ZINC000830745530 605396689 /nfs/dbraw/zinc/39/66/89/605396689.db2.gz AKXIOKPQIVWZSU-MRXNPFEDSA-N -1 1 371.441 2.125 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@H]21 ZINC000834184683 605441140 /nfs/dbraw/zinc/44/11/40/605441140.db2.gz RIKXCKZIRKBUEL-HFBAOOFYSA-N -1 1 358.394 2.367 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)oc4cc([O-])ccc34)C[C@H]21 ZINC000834184683 605441145 /nfs/dbraw/zinc/44/11/45/605441145.db2.gz RIKXCKZIRKBUEL-HFBAOOFYSA-N -1 1 358.394 2.367 20 0 FEADMM O=C([O-])N1CC[C@@H](CCC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000833990315 605458534 /nfs/dbraw/zinc/45/85/34/605458534.db2.gz SZWXIHIPTVGVQE-LLVKDONJSA-N -1 1 361.377 2.007 20 0 FEADMM O=C([O-])N1CC[C@@H](CCC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000833990315 605458537 /nfs/dbraw/zinc/45/85/37/605458537.db2.gz SZWXIHIPTVGVQE-LLVKDONJSA-N -1 1 361.377 2.007 20 0 FEADMM O=C([O-])N1CC[C@H](CCC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000833990316 605458971 /nfs/dbraw/zinc/45/89/71/605458971.db2.gz SZWXIHIPTVGVQE-NSHDSACASA-N -1 1 361.377 2.007 20 0 FEADMM O=C([O-])N1CC[C@H](CCC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000833990316 605458976 /nfs/dbraw/zinc/45/89/76/605458976.db2.gz SZWXIHIPTVGVQE-NSHDSACASA-N -1 1 361.377 2.007 20 0 FEADMM O=C([O-])NC1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000834189994 605483882 /nfs/dbraw/zinc/48/38/82/605483882.db2.gz PQHJUVACGIDYFH-UHFFFAOYSA-N -1 1 370.453 2.303 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC000833813498 605523793 /nfs/dbraw/zinc/52/37/93/605523793.db2.gz BDCPIDFKGOWXFO-JGGQBBKZSA-N -1 1 366.437 2.116 20 0 FEADMM CN(C)[C@H](CNC(=O)C[C@H]1CSCCN1C(=O)[O-])c1cccc(F)c1 ZINC000827994318 605596212 /nfs/dbraw/zinc/59/62/12/605596212.db2.gz KIHFMHJLIXEMNM-LSDHHAIUSA-N -1 1 369.462 2.030 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000833982690 605597941 /nfs/dbraw/zinc/59/79/41/605597941.db2.gz WWHSSIOJOJLIEA-FBVQUNGASA-N -1 1 372.469 2.222 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000833982907 605694611 /nfs/dbraw/zinc/69/46/11/605694611.db2.gz ZEWSEDMAHBZJET-SZMVWBNQSA-N -1 1 374.485 2.375 20 0 FEADMM O=C([O-])N[C@H]1C[C@@H](NCc2cccnc2N2CCOCC2)c2ccccc21 ZINC000834157222 605792020 /nfs/dbraw/zinc/79/20/20/605792020.db2.gz HCORTKBABZEPHJ-MSOLQXFVSA-N -1 1 368.437 2.462 20 0 FEADMM O=C([O-])NCC1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000834226023 605875082 /nfs/dbraw/zinc/87/50/82/605875082.db2.gz SZCRNAZORJAJHQ-AWEZNQCLSA-N -1 1 357.248 2.462 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1C[C@H](O)c1ccccc1Br ZINC000833829983 605884447 /nfs/dbraw/zinc/88/44/47/605884447.db2.gz ICKBBVHYCVYCPW-SUNKGSAMSA-N -1 1 357.248 2.461 20 0 FEADMM Cc1cc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)ccc1NC(=O)[O-] ZINC000829941378 605888513 /nfs/dbraw/zinc/88/85/13/605888513.db2.gz UDUHCFGCGQPJLM-CQSZACIVSA-N -1 1 352.354 2.117 20 0 FEADMM O=C([O-])NC[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000834206719 605965241 /nfs/dbraw/zinc/96/52/41/605965241.db2.gz NLOYDNXKDPMPEJ-DLBZAZTESA-N -1 1 362.451 2.315 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1[nH]nc2ccccc21 ZINC000834161909 606006673 /nfs/dbraw/zinc/00/66/73/606006673.db2.gz ZGRRMYQPOIGNFF-CSCWVGTJSA-N -1 1 356.426 2.437 20 0 FEADMM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CCC(=O)N1CCc2sccc2C1 ZINC000833828934 606042617 /nfs/dbraw/zinc/04/26/17/606042617.db2.gz QGNQDCQQOZCQAS-CHWSQXEVSA-N -1 1 351.472 2.096 20 0 FEADMM NC(=O)[C@H]1CCCN1Cc1cccc(N[C@H]2CCCN(C(=O)[O-])CC2)c1 ZINC000833979613 606043692 /nfs/dbraw/zinc/04/36/92/606043692.db2.gz CLLBDVOURRZLFK-DOTOQJQBSA-N -1 1 360.458 2.081 20 0 FEADMM COc1ccc(F)cc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000821828105 606066884 /nfs/dbraw/zinc/06/68/84/606066884.db2.gz QDUKYOZDBZQCGR-UHFFFAOYSA-N -1 1 359.365 2.218 20 0 FEADMM COc1ccc(F)cc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000821828105 606066887 /nfs/dbraw/zinc/06/68/87/606066887.db2.gz QDUKYOZDBZQCGR-UHFFFAOYSA-N -1 1 359.365 2.218 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c(C(F)(F)F)n1 ZINC000559082114 674527545 /nfs/dbraw/zinc/52/75/45/674527545.db2.gz JVJJELBUDGQTEB-UHFFFAOYSA-N -1 1 374.388 2.234 20 0 FEADMM COc1cc(F)c([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000821720318 606131432 /nfs/dbraw/zinc/13/14/32/606131432.db2.gz QTVARKMTIAIZLY-QMMMGPOBSA-N -1 1 361.308 2.467 20 0 FEADMM COc1cc(F)c([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC000821720318 606131433 /nfs/dbraw/zinc/13/14/33/606131433.db2.gz QTVARKMTIAIZLY-QMMMGPOBSA-N -1 1 361.308 2.467 20 0 FEADMM O=C(OCc1nc(-c2cccs2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440411 606139225 /nfs/dbraw/zinc/13/92/25/606139225.db2.gz SBLQGTSBFXGBAK-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM O=C(OCc1nc(-c2cccs2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440411 606139226 /nfs/dbraw/zinc/13/92/26/606139226.db2.gz SBLQGTSBFXGBAK-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM O=C(NCc1nc(-c2cccs2)c[nH]1)c1nc2ccccc2c(=O)[n-]1 ZINC000559162288 674531288 /nfs/dbraw/zinc/53/12/88/674531288.db2.gz LYXKWVCIIQZXSD-UHFFFAOYSA-N -1 1 351.391 2.305 20 0 FEADMM CCOc1ccccc1[C@H](CC)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821430986 606155201 /nfs/dbraw/zinc/15/52/01/606155201.db2.gz JMYRIYSQWSQPFO-ZDUSSCGKSA-N -1 1 370.417 2.272 20 0 FEADMM CCOc1ccccc1[C@H](CC)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821430986 606155203 /nfs/dbraw/zinc/15/52/03/606155203.db2.gz JMYRIYSQWSQPFO-ZDUSSCGKSA-N -1 1 370.417 2.272 20 0 FEADMM Cc1c(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)oc2ccc(F)cc12 ZINC000822029431 606155404 /nfs/dbraw/zinc/15/54/04/606155404.db2.gz YQWNRUHOUABNCH-UHFFFAOYSA-N -1 1 370.348 2.116 20 0 FEADMM Cc1c(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)oc2ccc(F)cc12 ZINC000822029431 606155406 /nfs/dbraw/zinc/15/54/06/606155406.db2.gz YQWNRUHOUABNCH-UHFFFAOYSA-N -1 1 370.348 2.116 20 0 FEADMM CCC(CC)(CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820887674 606160525 /nfs/dbraw/zinc/16/05/25/606160525.db2.gz LNEBMZPVVSIQKG-UHFFFAOYSA-N -1 1 368.445 2.480 20 0 FEADMM CCC(CC)(CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820887674 606160527 /nfs/dbraw/zinc/16/05/27/606160527.db2.gz LNEBMZPVVSIQKG-UHFFFAOYSA-N -1 1 368.445 2.480 20 0 FEADMM Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000822248357 606170115 /nfs/dbraw/zinc/17/01/15/606170115.db2.gz BJVPCKPVGQKGSS-UHFFFAOYSA-N -1 1 364.316 2.154 20 0 FEADMM Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000822248357 606170116 /nfs/dbraw/zinc/17/01/16/606170116.db2.gz BJVPCKPVGQKGSS-UHFFFAOYSA-N -1 1 364.316 2.154 20 0 FEADMM O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823145187 606189214 /nfs/dbraw/zinc/18/92/14/606189214.db2.gz OXTZCCIOSOADNV-UHFFFAOYSA-N -1 1 371.426 2.388 20 0 FEADMM O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823145187 606189215 /nfs/dbraw/zinc/18/92/15/606189215.db2.gz OXTZCCIOSOADNV-UHFFFAOYSA-N -1 1 371.426 2.388 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccn(-c2cccc(F)c2)n1 ZINC000823294854 606195637 /nfs/dbraw/zinc/19/56/37/606195637.db2.gz UVYBAHIYAJQTLO-UHFFFAOYSA-N -1 1 365.328 2.149 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000822004105 606196884 /nfs/dbraw/zinc/19/68/84/606196884.db2.gz AJHIQQXPVAWGQB-FIXISWKDSA-N -1 1 372.473 2.458 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](C)C2CC2)c1-c1nn[n-]n1 ZINC000822486353 606227127 /nfs/dbraw/zinc/22/71/27/606227127.db2.gz HJQZYOZDBQZUJR-NSHDSACASA-N -1 1 352.398 2.450 20 0 FEADMM CCc1ccc(C(C)(C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821475907 606240384 /nfs/dbraw/zinc/24/03/84/606240384.db2.gz CLAPIWXBKNLZGV-UHFFFAOYSA-N -1 1 372.454 2.038 20 0 FEADMM CCc1ccc(C(C)(C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821475907 606240386 /nfs/dbraw/zinc/24/03/86/606240386.db2.gz CLAPIWXBKNLZGV-UHFFFAOYSA-N -1 1 372.454 2.038 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)Cc1cccnc1 ZINC000822535416 606295505 /nfs/dbraw/zinc/29/55/05/606295505.db2.gz QTIPOMWJYKLLEX-UHFFFAOYSA-N -1 1 363.381 2.226 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)Cc1cccnc1 ZINC000822535416 606295506 /nfs/dbraw/zinc/29/55/06/606295506.db2.gz QTIPOMWJYKLLEX-UHFFFAOYSA-N -1 1 363.381 2.226 20 0 FEADMM CC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820989182 606403796 /nfs/dbraw/zinc/40/37/96/606403796.db2.gz NLCBMHGRBKMOGU-CYBMUJFWSA-N -1 1 370.438 2.182 20 0 FEADMM CC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820989182 606403798 /nfs/dbraw/zinc/40/37/98/606403798.db2.gz NLCBMHGRBKMOGU-CYBMUJFWSA-N -1 1 370.438 2.182 20 0 FEADMM CCCCc1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821077457 606414360 /nfs/dbraw/zinc/41/43/60/606414360.db2.gz GONPXYUYRZYAAC-UHFFFAOYSA-N -1 1 372.454 2.429 20 0 FEADMM CCCCc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821077457 606414363 /nfs/dbraw/zinc/41/43/63/606414363.db2.gz GONPXYUYRZYAAC-UHFFFAOYSA-N -1 1 372.454 2.429 20 0 FEADMM Clc1ccc(N2CCOC[C@@H]2Cc2ccccc2)nc1-c1nnn[n-]1 ZINC000822578345 606427904 /nfs/dbraw/zinc/42/79/04/606427904.db2.gz HMKFHPWLRKAMFA-ZDUSSCGKSA-N -1 1 356.817 2.363 20 0 FEADMM Clc1ccc(N2CCOC[C@@H]2Cc2ccccc2)nc1-c1nn[n-]n1 ZINC000822578345 606427906 /nfs/dbraw/zinc/42/79/06/606427906.db2.gz HMKFHPWLRKAMFA-ZDUSSCGKSA-N -1 1 356.817 2.363 20 0 FEADMM C[C@H]1Oc2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2NC1=O ZINC000820819548 606444500 /nfs/dbraw/zinc/44/45/00/606444500.db2.gz JYRQCAIPCIIFFY-SSDOTTSWSA-N -1 1 357.761 2.378 20 0 FEADMM C[C@H]1Oc2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2NC1=O ZINC000820819548 606444501 /nfs/dbraw/zinc/44/45/01/606444501.db2.gz JYRQCAIPCIIFFY-SSDOTTSWSA-N -1 1 357.761 2.378 20 0 FEADMM COCCOc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821694033 606470482 /nfs/dbraw/zinc/47/04/82/606470482.db2.gz ZZMXAYNVGSWHDX-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM COCCOc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821694033 606470484 /nfs/dbraw/zinc/47/04/84/606470484.db2.gz ZZMXAYNVGSWHDX-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCc2ccccc21 ZINC000820270033 606508210 /nfs/dbraw/zinc/50/82/10/606508210.db2.gz SSNGXDJEVGLXFX-NSHDSACASA-N -1 1 354.439 2.109 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCc2ccccc21 ZINC000820270033 606508212 /nfs/dbraw/zinc/50/82/12/606508212.db2.gz SSNGXDJEVGLXFX-NSHDSACASA-N -1 1 354.439 2.109 20 0 FEADMM O=C(NCc1ccccc1N1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261340 606530047 /nfs/dbraw/zinc/53/00/47/606530047.db2.gz HTTKGCZLKHFXIY-UHFFFAOYSA-N -1 1 354.439 2.458 20 0 FEADMM O=C(NCc1ccccc1N1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261340 606530048 /nfs/dbraw/zinc/53/00/48/606530048.db2.gz HTTKGCZLKHFXIY-UHFFFAOYSA-N -1 1 354.439 2.458 20 0 FEADMM O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823299465 606542084 /nfs/dbraw/zinc/54/20/84/606542084.db2.gz YOVYUZZGDGBYEN-UHFFFAOYSA-N -1 1 374.401 2.156 20 0 FEADMM O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823299465 606542085 /nfs/dbraw/zinc/54/20/85/606542085.db2.gz YOVYUZZGDGBYEN-UHFFFAOYSA-N -1 1 374.401 2.156 20 0 FEADMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819811341 606543808 /nfs/dbraw/zinc/54/38/08/606543808.db2.gz ZNEHSSJUTIHLSZ-UHFFFAOYSA-N -1 1 364.337 2.417 20 0 FEADMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819811341 606543810 /nfs/dbraw/zinc/54/38/10/606543810.db2.gz ZNEHSSJUTIHLSZ-UHFFFAOYSA-N -1 1 364.337 2.417 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2N(C)C1=O ZINC000820742950 606572116 /nfs/dbraw/zinc/57/21/16/606572116.db2.gz OIBKOZNGCLAXHM-SNVBAGLBSA-N -1 1 368.422 2.188 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2N(C)C1=O ZINC000820742950 606572117 /nfs/dbraw/zinc/57/21/17/606572117.db2.gz OIBKOZNGCLAXHM-SNVBAGLBSA-N -1 1 368.422 2.188 20 0 FEADMM Cn1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)s3)n2)cn1 ZINC000822604274 606573775 /nfs/dbraw/zinc/57/37/75/606573775.db2.gz BEWVUYYZEZWUJO-UHFFFAOYSA-N -1 1 358.412 2.038 20 0 FEADMM Cn1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)s3)n2)cn1 ZINC000822604274 606573777 /nfs/dbraw/zinc/57/37/77/606573777.db2.gz BEWVUYYZEZWUJO-UHFFFAOYSA-N -1 1 358.412 2.038 20 0 FEADMM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822242576 606579421 /nfs/dbraw/zinc/57/94/21/606579421.db2.gz QEZRPHOBABKKSP-UHFFFAOYSA-N -1 1 370.394 2.446 20 0 FEADMM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822242576 606579424 /nfs/dbraw/zinc/57/94/24/606579424.db2.gz QEZRPHOBABKKSP-UHFFFAOYSA-N -1 1 370.394 2.446 20 0 FEADMM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820876698 606595519 /nfs/dbraw/zinc/59/55/19/606595519.db2.gz SBXHLYBSKBWRJQ-LBPRGKRZSA-N -1 1 354.418 2.433 20 0 FEADMM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820876698 606595521 /nfs/dbraw/zinc/59/55/21/606595521.db2.gz SBXHLYBSKBWRJQ-LBPRGKRZSA-N -1 1 354.418 2.433 20 0 FEADMM CC[C@H](Oc1ccccc1F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820938256 606650761 /nfs/dbraw/zinc/65/07/61/606650761.db2.gz HSUPFPUCACTQKB-AWEZNQCLSA-N -1 1 357.345 2.302 20 0 FEADMM CC[C@H](Oc1ccccc1F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820938256 606650762 /nfs/dbraw/zinc/65/07/62/606650762.db2.gz HSUPFPUCACTQKB-AWEZNQCLSA-N -1 1 357.345 2.302 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820533263 606652571 /nfs/dbraw/zinc/65/25/71/606652571.db2.gz DBEGGSRYEAUKGJ-VIFPVBQESA-N -1 1 361.308 2.051 20 0 FEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820533263 606652572 /nfs/dbraw/zinc/65/25/72/606652572.db2.gz DBEGGSRYEAUKGJ-VIFPVBQESA-N -1 1 361.308 2.051 20 0 FEADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2O1 ZINC000820589821 606745034 /nfs/dbraw/zinc/74/50/34/606745034.db2.gz NHRLKFOGJWPNEX-CQSZACIVSA-N -1 1 350.382 2.294 20 0 FEADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2O1 ZINC000820589821 606745035 /nfs/dbraw/zinc/74/50/35/606745035.db2.gz NHRLKFOGJWPNEX-CQSZACIVSA-N -1 1 350.382 2.294 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000822535565 606814063 /nfs/dbraw/zinc/81/40/63/606814063.db2.gz WUNBDCMPVATLFG-CHWSQXEVSA-N -1 1 352.398 2.431 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000822535565 606814065 /nfs/dbraw/zinc/81/40/65/606814065.db2.gz WUNBDCMPVATLFG-CHWSQXEVSA-N -1 1 352.398 2.431 20 0 FEADMM CC[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820971710 606815133 /nfs/dbraw/zinc/81/51/33/606815133.db2.gz FBEDOGCEWPFECD-JSGCOSHPSA-N -1 1 358.446 2.212 20 0 FEADMM CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820086981 606841504 /nfs/dbraw/zinc/84/15/04/606841504.db2.gz ITDIMFPJOPLJFY-UHFFFAOYSA-N -1 1 355.439 2.309 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823140334 607026247 /nfs/dbraw/zinc/02/62/47/607026247.db2.gz SOMASMHUVHKIGH-CYBMUJFWSA-N -1 1 362.315 2.165 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823140334 607026248 /nfs/dbraw/zinc/02/62/48/607026248.db2.gz SOMASMHUVHKIGH-CYBMUJFWSA-N -1 1 362.315 2.165 20 0 FEADMM Cc1nn(C)cc1[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000822496097 607048163 /nfs/dbraw/zinc/04/81/63/607048163.db2.gz AAFDUTWCQLBPLC-VIFPVBQESA-N -1 1 350.839 2.360 20 0 FEADMM Cc1nn(C)cc1[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000822496097 607048165 /nfs/dbraw/zinc/04/81/65/607048165.db2.gz AAFDUTWCQLBPLC-VIFPVBQESA-N -1 1 350.839 2.360 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NOCC(F)(F)F)c1-c1nnn[n-]1 ZINC000821990016 607099603 /nfs/dbraw/zinc/09/96/03/607099603.db2.gz OSWGFIFPECFARH-UHFFFAOYSA-N -1 1 374.348 2.085 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NOCC(F)(F)F)c1-c1nn[n-]n1 ZINC000821990016 607099604 /nfs/dbraw/zinc/09/96/04/607099604.db2.gz OSWGFIFPECFARH-UHFFFAOYSA-N -1 1 374.348 2.085 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823041289 607110405 /nfs/dbraw/zinc/11/04/05/607110405.db2.gz XEFYMYDTTZFKEW-UHFFFAOYSA-N -1 1 354.754 2.133 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823041289 607110406 /nfs/dbraw/zinc/11/04/06/607110406.db2.gz XEFYMYDTTZFKEW-UHFFFAOYSA-N -1 1 354.754 2.133 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC000821015689 607116920 /nfs/dbraw/zinc/11/69/20/607116920.db2.gz SISDZHIWIQHLGD-SNVBAGLBSA-N -1 1 361.431 2.294 20 0 FEADMM CCC[C@H](CC)S(=O)(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000559642679 674551688 /nfs/dbraw/zinc/55/16/88/674551688.db2.gz GTCJUTXUQMLHOM-LBPRGKRZSA-N -1 1 364.489 2.387 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823797014 607177004 /nfs/dbraw/zinc/17/70/04/607177004.db2.gz KVJVUAZEAIZEQN-APPDUMDISA-N -1 1 369.454 2.277 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823797014 607177005 /nfs/dbraw/zinc/17/70/05/607177005.db2.gz KVJVUAZEAIZEQN-APPDUMDISA-N -1 1 369.454 2.277 20 0 FEADMM CCN(Cc1ccccc1)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825439818 607864590 /nfs/dbraw/zinc/86/45/90/607864590.db2.gz PIBJGFQYDORWKW-UHFFFAOYSA-N -1 1 355.373 2.433 20 0 FEADMM CCN(Cc1ccccc1)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825439818 607864591 /nfs/dbraw/zinc/86/45/91/607864591.db2.gz PIBJGFQYDORWKW-UHFFFAOYSA-N -1 1 355.373 2.433 20 0 FEADMM c1cc(Sc2nnc(-c3ccncc3)n2C2CC2)nc(-c2nnn[n-]2)c1 ZINC000826518002 607895966 /nfs/dbraw/zinc/89/59/66/607895966.db2.gz XWAMYLNNYBGFAL-UHFFFAOYSA-N -1 1 363.410 2.401 20 0 FEADMM c1cc(Sc2nnc(-c3ccncc3)n2C2CC2)nc(-c2nn[n-]n2)c1 ZINC000826518002 607895967 /nfs/dbraw/zinc/89/59/67/607895967.db2.gz XWAMYLNNYBGFAL-UHFFFAOYSA-N -1 1 363.410 2.401 20 0 FEADMM CCOC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000825493299 607897373 /nfs/dbraw/zinc/89/73/73/607897373.db2.gz KJYFPQRLLILWGP-CQSZACIVSA-N -1 1 352.398 2.096 20 0 FEADMM CCOC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000825493299 607897374 /nfs/dbraw/zinc/89/73/74/607897374.db2.gz KJYFPQRLLILWGP-CQSZACIVSA-N -1 1 352.398 2.096 20 0 FEADMM CC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825133097 607912220 /nfs/dbraw/zinc/91/22/20/607912220.db2.gz JCFDBMANDACMOZ-CHWSQXEVSA-N -1 1 370.413 2.246 20 0 FEADMM CC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825133097 607912221 /nfs/dbraw/zinc/91/22/21/607912221.db2.gz JCFDBMANDACMOZ-CHWSQXEVSA-N -1 1 370.413 2.246 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2cn[nH]c2)c1-c1nn[n-]n1 ZINC000826231673 607955747 /nfs/dbraw/zinc/95/57/47/607955747.db2.gz VIIARFARWUDOHV-MRVPVSSYSA-N -1 1 370.442 2.075 20 0 FEADMM CC(C)(C)C1=CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824070792 607971929 /nfs/dbraw/zinc/97/19/29/607971929.db2.gz CNRRXCPDHLZODR-UHFFFAOYSA-N -1 1 365.434 2.373 20 0 FEADMM O=C(C=Cc1cnc2ccccc2n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826402873 607998306 /nfs/dbraw/zinc/99/83/06/607998306.db2.gz DWWQJDZIWHTHSF-VURMDHGXSA-N -1 1 359.349 2.167 20 0 FEADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1-c1nnnn1C1CC1 ZINC000826291447 608136872 /nfs/dbraw/zinc/13/68/72/608136872.db2.gz GLFRKJKDSUDWDH-UHFFFAOYSA-N -1 1 363.385 2.369 20 0 FEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1-c1nnnn1C1CC1 ZINC000826291447 608136873 /nfs/dbraw/zinc/13/68/73/608136873.db2.gz GLFRKJKDSUDWDH-UHFFFAOYSA-N -1 1 363.385 2.369 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000826425123 608147779 /nfs/dbraw/zinc/14/77/79/608147779.db2.gz QOSOTZUZZRJMDE-INIZCTEOSA-N -1 1 351.414 2.111 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000826425123 608147781 /nfs/dbraw/zinc/14/77/81/608147781.db2.gz QOSOTZUZZRJMDE-INIZCTEOSA-N -1 1 351.414 2.111 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC12CCC2 ZINC000824961453 608155402 /nfs/dbraw/zinc/15/54/02/608155402.db2.gz CSDOYODJSDJICL-LLVKDONJSA-N -1 1 365.434 2.207 20 0 FEADMM CCOC(=O)CC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825506192 608174283 /nfs/dbraw/zinc/17/42/83/608174283.db2.gz GZBDZSFGFWVVCR-UHFFFAOYSA-N -1 1 356.839 2.146 20 0 FEADMM CCOC(=O)CC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825506192 608174284 /nfs/dbraw/zinc/17/42/84/608174284.db2.gz GZBDZSFGFWVVCR-UHFFFAOYSA-N -1 1 356.839 2.146 20 0 FEADMM CC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H](CC)CN1C(C)=O ZINC000825221190 608187701 /nfs/dbraw/zinc/18/77/01/608187701.db2.gz YREWAYZJMNHJAD-ZJUUUORDSA-N -1 1 369.882 2.202 20 0 FEADMM CC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000825221190 608187703 /nfs/dbraw/zinc/18/77/03/608187703.db2.gz YREWAYZJMNHJAD-ZJUUUORDSA-N -1 1 369.882 2.202 20 0 FEADMM CCCCOc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000825290850 608397887 /nfs/dbraw/zinc/39/78/87/608397887.db2.gz IONKHTGSMLAJIN-UHFFFAOYSA-N -1 1 355.402 2.456 20 0 FEADMM CCCCOc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000825290850 608397889 /nfs/dbraw/zinc/39/78/89/608397889.db2.gz IONKHTGSMLAJIN-UHFFFAOYSA-N -1 1 355.402 2.456 20 0 FEADMM Fc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1Br ZINC000826374352 608401848 /nfs/dbraw/zinc/40/18/48/608401848.db2.gz WFSMOEMAQUXSDI-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1Br ZINC000826374352 608401850 /nfs/dbraw/zinc/40/18/50/608401850.db2.gz WFSMOEMAQUXSDI-UHFFFAOYSA-N -1 1 364.182 2.213 20 0 FEADMM Cc1nn(C)c(C)c1CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826333333 608415282 /nfs/dbraw/zinc/41/52/82/608415282.db2.gz CWPIGRBZVWKSNJ-UHFFFAOYSA-N -1 1 363.429 2.205 20 0 FEADMM Cc1nn(C)c(C)c1CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826333333 608415284 /nfs/dbraw/zinc/41/52/84/608415284.db2.gz CWPIGRBZVWKSNJ-UHFFFAOYSA-N -1 1 363.429 2.205 20 0 FEADMM CC(C)(C)OC(=O)Nc1cccc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000824114664 608583720 /nfs/dbraw/zinc/58/37/20/608583720.db2.gz ZTAOJZMGSIVCDC-UHFFFAOYSA-N -1 1 368.397 2.424 20 0 FEADMM C[C@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824867681 609257198 /nfs/dbraw/zinc/25/71/98/609257198.db2.gz QKDTUWWRGOPWIW-NWDGAFQWSA-N -1 1 374.493 2.025 20 0 FEADMM C[C@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824867681 609257199 /nfs/dbraw/zinc/25/71/99/609257199.db2.gz QKDTUWWRGOPWIW-NWDGAFQWSA-N -1 1 374.493 2.025 20 0 FEADMM CCOC(=O)CN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000825517421 609281269 /nfs/dbraw/zinc/28/12/69/609281269.db2.gz CZTXTMZJZXJKGQ-CQSZACIVSA-N -1 1 366.425 2.388 20 0 FEADMM CCOC(=O)CN(Cc1ccnc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000825517421 609281271 /nfs/dbraw/zinc/28/12/71/609281271.db2.gz CZTXTMZJZXJKGQ-CQSZACIVSA-N -1 1 366.425 2.388 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229760 609301135 /nfs/dbraw/zinc/30/11/35/609301135.db2.gz QJVIMEJQPNIVIU-JTQLQIEISA-N -1 1 362.459 2.197 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(F)c2C)cc1-c1nn[n-]n1 ZINC000826229678 609301542 /nfs/dbraw/zinc/30/15/42/609301542.db2.gz MXUYARHUDVZPPV-UHFFFAOYSA-N -1 1 360.374 2.389 20 0 FEADMM C[C@H]1CC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)C1 ZINC000824916150 609401813 /nfs/dbraw/zinc/40/18/13/609401813.db2.gz JMHSPRUJATXVIG-ZBEGNZNMSA-N -1 1 365.434 2.207 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC([C@@H]2CCOC2)CC1 ZINC000826522758 609592464 /nfs/dbraw/zinc/59/24/64/609592464.db2.gz MWQQGTPEUHRTAG-CYBMUJFWSA-N -1 1 351.414 2.063 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC([C@@H]2CCOC2)CC1 ZINC000826522758 609592466 /nfs/dbraw/zinc/59/24/66/609592466.db2.gz MWQQGTPEUHRTAG-CYBMUJFWSA-N -1 1 351.414 2.063 20 0 FEADMM O=C(NCCc1ccc(F)c(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826439151 609597485 /nfs/dbraw/zinc/59/74/85/609597485.db2.gz GYPINDFPDUIRCC-UHFFFAOYSA-N -1 1 353.329 2.318 20 0 FEADMM O=C(NCCc1ccc(F)c(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826439151 609597486 /nfs/dbraw/zinc/59/74/86/609597486.db2.gz GYPINDFPDUIRCC-UHFFFAOYSA-N -1 1 353.329 2.318 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1F ZINC000560028737 674564403 /nfs/dbraw/zinc/56/44/03/674564403.db2.gz MGUBENCNWGYNCW-SECBINFHSA-N -1 1 360.760 2.394 20 0 FEADMM O=C(CSCC(F)(F)F)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810902353 674567504 /nfs/dbraw/zinc/56/75/04/674567504.db2.gz OBGNIDSEVYYVOW-MRVPVSSYSA-N -1 1 366.327 2.199 20 0 FEADMM CO[C@H](C)c1nsc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811856891 674633744 /nfs/dbraw/zinc/63/37/44/674633744.db2.gz VXGQMAPGDUTFHX-RKDXNWHRSA-N -1 1 352.382 2.140 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@H]2CCC(F)(F)C2)C1)C(F)(F)F ZINC000811894910 674636528 /nfs/dbraw/zinc/63/65/28/674636528.db2.gz DFYMYXGFWNUGJG-UWVGGRQHSA-N -1 1 357.323 2.274 20 0 FEADMM O=C([O-])[C@@H]1CN(c2nc(C(F)(F)F)nc3[nH]cnc32)C[C@H]1C(F)(F)F ZINC000561124568 674639763 /nfs/dbraw/zinc/63/97/63/674639763.db2.gz NTOWXMGZVOEKRI-RFZPGFLSSA-N -1 1 369.225 2.071 20 0 FEADMM CC(C)c1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n(C)n1 ZINC000812274984 674661154 /nfs/dbraw/zinc/66/11/54/674661154.db2.gz BZIXTUKCWPYMJT-NSHDSACASA-N -1 1 360.380 2.074 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2coc(C3CCC3)n2)C1)C(F)(F)F ZINC000812277264 674661201 /nfs/dbraw/zinc/66/12/01/674661201.db2.gz SKBWUIVPYZIMBS-SNVBAGLBSA-N -1 1 359.348 2.473 20 0 FEADMM O=C([N-]OC/C=C/Cl)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000812409764 674673490 /nfs/dbraw/zinc/67/34/90/674673490.db2.gz XSWHPTBLVKQEOL-MJRJWQSSSA-N -1 1 373.236 2.368 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)OC)o1 ZINC000812797986 674698656 /nfs/dbraw/zinc/69/86/56/674698656.db2.gz XVXRRTLFRLYWMD-UHFFFAOYSA-N -1 1 358.803 2.045 20 0 FEADMM O=C([N-]OC1CCC1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000812796383 674698666 /nfs/dbraw/zinc/69/86/66/674698666.db2.gz MZDHWTPTVXEYKU-LBPRGKRZSA-N -1 1 352.818 2.168 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2cccc(C(C)C)c2)C(=O)[N-]C1=S ZINC000814328631 674832268 /nfs/dbraw/zinc/83/22/68/674832268.db2.gz IFFZRZNPOPSJHX-NTCAYCPXSA-N -1 1 361.467 2.386 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000563399042 674882708 /nfs/dbraw/zinc/88/27/08/674882708.db2.gz UTKQSYXGPSVBGC-OCCSQVGLSA-N -1 1 365.817 2.438 20 0 FEADMM Cn1ncc(CCC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000815052907 674907802 /nfs/dbraw/zinc/90/78/02/674907802.db2.gz GGKSNTKSUCAXMP-UHFFFAOYSA-N -1 1 367.233 2.172 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(C)(C)O ZINC000815081749 674913867 /nfs/dbraw/zinc/91/38/67/674913867.db2.gz NCPMFFRGCGFORI-GFCCVEGCSA-N -1 1 367.826 2.094 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000563602030 674914823 /nfs/dbraw/zinc/91/48/23/674914823.db2.gz JFHZJXXFGVOOTE-DGCLKSJQSA-N -1 1 363.357 2.203 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)N2CCC(c3cn[nH]c3C)CC2)s[n-]1 ZINC000564371989 675004052 /nfs/dbraw/zinc/00/40/52/675004052.db2.gz OXBYSPJULICSSQ-JTQLQIEISA-N -1 1 350.448 2.110 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)[C@]12CCCO2 ZINC000564412107 675012792 /nfs/dbraw/zinc/01/27/92/675012792.db2.gz WIKMNGIAIQIQHZ-ZMSDIMECSA-N -1 1 351.424 2.438 20 0 FEADMM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000649852138 677339483 /nfs/dbraw/zinc/33/94/83/677339483.db2.gz BRSPFXFOUSRZOU-LLVKDONJSA-N -1 1 362.904 2.471 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cccc(Cl)c2N)cc1 ZINC000009077007 669983402 /nfs/dbraw/zinc/98/34/02/669983402.db2.gz IDNGKHQUZCYEIY-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(Cl)cc2C)C(=O)[N-]C1=S ZINC000009771905 669984830 /nfs/dbraw/zinc/98/48/30/669984830.db2.gz UJNNOSLAVLFTJF-RAXLEYEMSA-N -1 1 367.858 2.224 20 0 FEADMM CSc1ccc(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)cc1 ZINC000021721477 670035177 /nfs/dbraw/zinc/03/51/77/670035177.db2.gz ZVAUZYCLCAZDLK-UHFFFAOYSA-N -1 1 350.421 2.088 20 0 FEADMM Cc1ccc2[nH]c(C(=O)OCC(=O)N[N-]C(=O)c3cccs3)cc2c1 ZINC000027700791 670081926 /nfs/dbraw/zinc/08/19/26/670081926.db2.gz JLNDWFHJUZNSKQ-UHFFFAOYSA-N -1 1 357.391 2.156 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c1Cl ZINC000027957602 670084360 /nfs/dbraw/zinc/08/43/60/670084360.db2.gz LLGDNQDOUVOZBC-UHFFFAOYSA-N -1 1 350.227 2.084 20 0 FEADMM COCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000028330505 670089977 /nfs/dbraw/zinc/08/99/77/670089977.db2.gz PMWHIVRKCZIWEO-UHFFFAOYSA-N -1 1 370.377 2.028 20 0 FEADMM O=C(CCc1nnc(-c2ccccc2)o1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389362 670099517 /nfs/dbraw/zinc/09/95/17/670099517.db2.gz BNYGKWFVGOUPRN-UHFFFAOYSA-N -1 1 352.276 2.445 20 0 FEADMM COCc1ccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000029817623 670104144 /nfs/dbraw/zinc/10/41/44/670104144.db2.gz VQOGEVFACKOARQ-UHFFFAOYSA-N -1 1 364.423 2.465 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1Cl ZINC000032592066 670130264 /nfs/dbraw/zinc/13/02/64/670130264.db2.gz ASADMHPCQVCXSO-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cccs3)on2)o1 ZINC000042264149 670160654 /nfs/dbraw/zinc/16/06/54/670160654.db2.gz UPSRTDQHCDLCGS-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM COc1ccc(NC(=O)Cc2ccccc2F)cc1[N-]S(C)(=O)=O ZINC000044036294 670183180 /nfs/dbraw/zinc/18/31/80/670183180.db2.gz HUCSDCUMNNENPB-UHFFFAOYSA-N -1 1 352.387 2.387 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC[C@@H](F)C1 ZINC000565141542 675097304 /nfs/dbraw/zinc/09/73/04/675097304.db2.gz BMRUDWMKWHZDKB-SECBINFHSA-N -1 1 369.245 2.232 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)C2CCOCC2)n1 ZINC000565146488 675097569 /nfs/dbraw/zinc/09/75/69/675097569.db2.gz WFMKDTKKCZQBCD-AWEZNQCLSA-N -1 1 371.846 2.478 20 0 FEADMM CCOc1ccc(OCC)c(NC(CC)=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000054500889 670337525 /nfs/dbraw/zinc/33/75/25/670337525.db2.gz SRVFTRGVHRFIKX-UHFFFAOYSA-N -1 1 363.439 2.091 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)cc1 ZINC000055597827 670352751 /nfs/dbraw/zinc/35/27/51/670352751.db2.gz IXKFWGYJTGSYTB-UHFFFAOYSA-N -1 1 361.423 2.416 20 0 FEADMM CCCc1nc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)no1 ZINC000063965618 670414157 /nfs/dbraw/zinc/41/41/57/670414157.db2.gz UVNGBVCRSWRIOY-UHFFFAOYSA-N -1 1 371.415 2.049 20 0 FEADMM CCn1c(CNC(=O)CSCC(=O)c2ccccc2)n[n-]c1=S ZINC000066636306 670445423 /nfs/dbraw/zinc/44/54/23/670445423.db2.gz PHFOUFVKZXARIN-UHFFFAOYSA-N -1 1 350.469 2.193 20 0 FEADMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2n[n-]c(=S)n2C2CC2)C1 ZINC000066637648 670445603 /nfs/dbraw/zinc/44/56/03/670445603.db2.gz VCGJRQWFYBOEBD-NWDGAFQWSA-N -1 1 365.503 2.176 20 0 FEADMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2n[n-]c(=S)n2C2CC2)C1 ZINC000066637647 670445679 /nfs/dbraw/zinc/44/56/79/670445679.db2.gz VCGJRQWFYBOEBD-VXGBXAGGSA-N -1 1 365.503 2.176 20 0 FEADMM COc1ccc(C(=O)NCCc2n[n-]c(=S)n2C)c(Br)c1 ZINC000067051332 670451885 /nfs/dbraw/zinc/45/18/85/670451885.db2.gz JRIHEMLJKPRAIA-UHFFFAOYSA-N -1 1 371.260 2.221 20 0 FEADMM CS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000067552031 670459064 /nfs/dbraw/zinc/45/90/64/670459064.db2.gz HDMIXMPUAHGSEK-UHFFFAOYSA-N -1 1 351.331 2.271 20 0 FEADMM Cc1noc(Cl)c1CCC(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000068411408 670470595 /nfs/dbraw/zinc/47/05/95/670470595.db2.gz BNQBOOACZLDWLA-UHFFFAOYSA-N -1 1 358.181 2.389 20 0 FEADMM COC(=O)c1ccc(CCC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000068423854 670470903 /nfs/dbraw/zinc/47/09/03/670470903.db2.gz MHOBJYUQQXTBOA-UHFFFAOYSA-N -1 1 360.439 2.311 20 0 FEADMM COc1ccc(-c2n[nH]cc2C(=O)NCCn2c(C)n[n-]c2=S)cc1 ZINC000073941914 670511134 /nfs/dbraw/zinc/51/11/34/670511134.db2.gz FBDNLASHFUBBED-UHFFFAOYSA-N -1 1 358.427 2.078 20 0 FEADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)nn(COC)c1C)C(F)(F)F ZINC000569337331 670545522 /nfs/dbraw/zinc/54/55/22/670545522.db2.gz SZAZIMZCVNRFDU-PRHODGIISA-N -1 1 357.398 2.359 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCC2(c3c(F)cccc3F)CCCC2)s1 ZINC000079864453 670612393 /nfs/dbraw/zinc/61/23/93/670612393.db2.gz YWOJVUDXDQLSDW-GFCCVEGCSA-N -1 1 367.421 2.240 20 0 FEADMM CCC[C@@H]1CCc2nc(NC(=O)Cc3sc(N)nc3[O-])sc2C1 ZINC000079858728 670612666 /nfs/dbraw/zinc/61/26/66/670612666.db2.gz ILAGNCCZOPYWBV-KCJUWKMLSA-N -1 1 352.485 2.333 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000569810372 670615988 /nfs/dbraw/zinc/61/59/88/670615988.db2.gz STVMDAVZXSNDAH-UHFFFAOYSA-N -1 1 360.435 2.359 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000084938202 670678055 /nfs/dbraw/zinc/67/80/55/670678055.db2.gz DVJZWJNBEVWEMJ-INIZCTEOSA-N -1 1 350.440 2.358 20 0 FEADMM Cc1c(Cl)c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nn1C ZINC000817410320 675130355 /nfs/dbraw/zinc/13/03/55/675130355.db2.gz XSMBEUFWJCEUMK-JTQLQIEISA-N -1 1 352.788 2.272 20 0 FEADMM CCn1c(CCNC(=O)c2cnc([C@@H]3CCCO3)s2)n[n-]c1=S ZINC000089819141 670706405 /nfs/dbraw/zinc/70/64/05/670706405.db2.gz MPIQRFGSJLUKNF-VIFPVBQESA-N -1 1 353.473 2.241 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@H]1c1ccccc1 ZINC000092107635 670735548 /nfs/dbraw/zinc/73/55/48/670735548.db2.gz CKLRSKCWPHXXBU-WDEREUQCSA-N -1 1 353.300 2.369 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)[C@]1(CO)CCCO1)c1cc(Cl)ccc1F ZINC000565612296 675136611 /nfs/dbraw/zinc/13/66/11/675136611.db2.gz IFWZLZKRDWAOLZ-LSDHHAIUSA-N -1 1 363.838 2.078 20 0 FEADMM O=C(Cc1ccoc1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817489389 675137915 /nfs/dbraw/zinc/13/79/15/675137915.db2.gz ACKWFRFAHRSSBP-ZDUSSCGKSA-N -1 1 352.312 2.459 20 0 FEADMM C[C@@H]1OCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817491325 675138464 /nfs/dbraw/zinc/13/84/64/675138464.db2.gz XVAOCJYRFDYSKP-WCFLWFBJSA-N -1 1 356.344 2.048 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)s[n-]1 ZINC000571391641 670867033 /nfs/dbraw/zinc/86/70/33/670867033.db2.gz IRHAOCXJHUENKX-SECBINFHSA-N -1 1 352.464 2.352 20 0 FEADMM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000116091962 670903510 /nfs/dbraw/zinc/90/35/10/670903510.db2.gz NMSSGKLDZCUSOE-UHFFFAOYSA-N -1 1 357.863 2.338 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1csc(=O)[nH]1)C(F)(F)F ZINC000817675581 675160322 /nfs/dbraw/zinc/16/03/22/675160322.db2.gz RPEPWALGXYITCA-SECBINFHSA-N -1 1 371.340 2.099 20 0 FEADMM COc1cccc(-c2nc(=NC(=O)NCCN3CC=CCC3)s[n-]2)c1 ZINC000572438785 671002038 /nfs/dbraw/zinc/00/20/38/671002038.db2.gz RAISJBYYZMILHX-UHFFFAOYSA-N -1 1 359.455 2.019 20 0 FEADMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OC ZINC000573840026 671170858 /nfs/dbraw/zinc/17/08/58/671170858.db2.gz KLSAMBMNMJBUGG-AAEUAGOBSA-N -1 1 360.476 2.369 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)NOCC1CC1)C(F)(F)F ZINC000817784087 675177532 /nfs/dbraw/zinc/17/75/32/675177532.db2.gz LCOPIMWUHPSWNB-LBPRGKRZSA-N -1 1 357.332 2.147 20 0 FEADMM CCOCC(C)(C)CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000574362968 671230752 /nfs/dbraw/zinc/23/07/52/671230752.db2.gz UJFPSNCNLJULQW-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000574759664 671275119 /nfs/dbraw/zinc/27/51/19/671275119.db2.gz OVKPJPLHLXVXJJ-RNCFNFMXSA-N -1 1 373.190 2.248 20 0 FEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000574773131 671276236 /nfs/dbraw/zinc/27/62/36/671276236.db2.gz IXWQGZFKYKOWQC-SECBINFHSA-N -1 1 354.379 2.075 20 0 FEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1cccc(C(F)(F)F)c1 ZINC000817926917 675186575 /nfs/dbraw/zinc/18/65/75/675186575.db2.gz WPLDDUPXUYRNSW-UHFFFAOYSA-N -1 1 364.301 2.373 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCc3[nH]cnc3C2)s[n-]1 ZINC000575928359 671331764 /nfs/dbraw/zinc/33/17/64/671331764.db2.gz ITICTTQVHNLGFY-SECBINFHSA-N -1 1 360.468 2.399 20 0 FEADMM O=C(CCSc1nnc(N2CCOCC2)s1)c1ccc([O-])cc1O ZINC000575934121 671332042 /nfs/dbraw/zinc/33/20/42/671332042.db2.gz DQCJCADITCXCRH-UHFFFAOYSA-N -1 1 367.452 2.151 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)ccc1O ZINC000608875879 675906436 /nfs/dbraw/zinc/90/64/36/675906436.db2.gz ZPZMKVGPKNKYJW-UHFFFAOYSA-N -1 1 360.391 2.471 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1F ZINC000609075724 675910078 /nfs/dbraw/zinc/91/00/78/675910078.db2.gz DMVVDEMZEUWTFV-INIZCTEOSA-N -1 1 351.399 2.029 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1 ZINC000609796068 675936523 /nfs/dbraw/zinc/93/65/23/675936523.db2.gz KYCNYTKNKOBZSP-QHCPKHFHSA-N -1 1 367.448 2.402 20 0 FEADMM CCOC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(OC)n2)cc1 ZINC000579734980 671757315 /nfs/dbraw/zinc/75/73/15/671757315.db2.gz QMIUZKVTJPMGSY-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM O=C(NC[C@@H](CO)c1ccccc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000580305260 671796442 /nfs/dbraw/zinc/79/64/42/671796442.db2.gz VBVFHCOZTFOVOD-NSHDSACASA-N -1 1 357.797 2.082 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000580431124 671807017 /nfs/dbraw/zinc/80/70/17/671807017.db2.gz DRNZUCJHLSZIFR-UHFFFAOYSA-N -1 1 366.395 2.469 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)[C@H]2C1 ZINC000580491549 671811951 /nfs/dbraw/zinc/81/19/51/671811951.db2.gz OFGNUILUVZWMIP-CORIIIEPSA-N -1 1 374.865 2.404 20 0 FEADMM CCC[C@](C)([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C(=O)OC ZINC000610004714 675946549 /nfs/dbraw/zinc/94/65/49/675946549.db2.gz AMPBZSLFPZMQJF-KRWDZBQOSA-N -1 1 366.439 2.493 20 0 FEADMM Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000580933945 671847578 /nfs/dbraw/zinc/84/75/78/671847578.db2.gz QXOIDRYUADTTKJ-QMTHXVAHSA-N -1 1 373.837 2.411 20 0 FEADMM CCCCCNC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000581706055 671927520 /nfs/dbraw/zinc/92/75/20/671927520.db2.gz QEQXLVHHTNQHIX-CYBMUJFWSA-N -1 1 364.471 2.249 20 0 FEADMM CCCCCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000581706055 671927523 /nfs/dbraw/zinc/92/75/23/671927523.db2.gz QEQXLVHHTNQHIX-CYBMUJFWSA-N -1 1 364.471 2.249 20 0 FEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c1 ZINC000841562779 680898458 /nfs/dbraw/zinc/89/84/58/680898458.db2.gz CLHDGMBFMPSEOT-MRVPVSSYSA-N -1 1 357.325 2.479 20 0 FEADMM O=S(=O)([N-]c1cccnc1Br)c1cccc2c1OCCO2 ZINC000121404189 671948445 /nfs/dbraw/zinc/94/84/45/671948445.db2.gz QYYBEBHNCKECKZ-UHFFFAOYSA-N -1 1 371.212 2.416 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cccc(-n2ccnn2)c1 ZINC000121492793 671950897 /nfs/dbraw/zinc/95/08/97/671950897.db2.gz DCBDFYXKZCYQMH-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)o1 ZINC000121913588 671959763 /nfs/dbraw/zinc/95/97/63/671959763.db2.gz BOHKRULVPFEFPT-HNNXBMFYSA-N -1 1 363.357 2.500 20 0 FEADMM COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000582125126 671970578 /nfs/dbraw/zinc/97/05/78/671970578.db2.gz HNGIYVNYPCURGP-QGZVFWFLSA-N -1 1 368.861 2.427 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000582381964 671996417 /nfs/dbraw/zinc/99/64/17/671996417.db2.gz NDSKEBGSPCLVEG-UHFFFAOYSA-N -1 1 371.846 2.467 20 0 FEADMM CCc1c(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)ccn1C ZINC000582515775 672008622 /nfs/dbraw/zinc/00/86/22/672008622.db2.gz GPGZGCYJXIVZCQ-UHFFFAOYSA-N -1 1 351.428 2.220 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F)N1CCCCC1 ZINC000125927128 672018105 /nfs/dbraw/zinc/01/81/05/672018105.db2.gz NUQJEVPSQAVOLQ-INIZCTEOSA-N -1 1 374.453 2.421 20 0 FEADMM Cc1ccc(CCC(=O)NC2(c3nn[n-]n3)CC2)c(Br)c1 ZINC000582700245 672025977 /nfs/dbraw/zinc/02/59/77/672025977.db2.gz MXMVKBIYAUSREZ-UHFFFAOYSA-N -1 1 350.220 2.009 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2C2CCCCC2)co1 ZINC000128726739 672051971 /nfs/dbraw/zinc/05/19/71/672051971.db2.gz CKEKEAYYBCHWAZ-UHFFFAOYSA-N -1 1 352.416 2.142 20 0 FEADMM NC(=O)[C@@H]1CC(C(=O)Nc2ccc([O-])c(Cl)c2)=NN1c1ccccc1 ZINC000129640091 672065068 /nfs/dbraw/zinc/06/50/68/672065068.db2.gz HCDYGQOWXWAEME-AWEZNQCLSA-N -1 1 358.785 2.104 20 0 FEADMM COCC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000583745812 672122563 /nfs/dbraw/zinc/12/25/63/672122563.db2.gz RDRRXTMBPHKLSM-VIFPVBQESA-N -1 1 360.234 2.462 20 0 FEADMM O=C(NN=c1[nH]cccc1[N+](=O)[O-])c1cc(Br)ccc1[O-] ZINC000153591207 672201166 /nfs/dbraw/zinc/20/11/66/672201166.db2.gz ICFLKPFOHKZNML-UHFFFAOYSA-N -1 1 353.132 2.215 20 0 FEADMM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000160761186 672293472 /nfs/dbraw/zinc/29/34/72/672293472.db2.gz PIWAIUHCGDWIJE-LBPRGKRZSA-N -1 1 361.341 2.124 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)OC1CCCC1 ZINC000177532672 672383465 /nfs/dbraw/zinc/38/34/65/672383465.db2.gz KJOPTXZIHKQBGV-QMMMGPOBSA-N -1 1 351.346 2.257 20 0 FEADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])o1 ZINC000679114049 672466863 /nfs/dbraw/zinc/46/68/63/672466863.db2.gz PXNALEOEUBQQNH-GXFFZTMASA-N -1 1 364.423 2.327 20 0 FEADMM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F ZINC000183743480 672478626 /nfs/dbraw/zinc/47/86/26/672478626.db2.gz NJSWDHMQLYARBX-UHFFFAOYSA-N -1 1 371.702 2.157 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(F)c1 ZINC000589149525 672509613 /nfs/dbraw/zinc/50/96/13/672509613.db2.gz QGRVPWIZILRWPS-UHFFFAOYSA-N -1 1 366.349 2.355 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccnc(Cl)c3)cc3c2N1CCC3 ZINC000184952606 672513579 /nfs/dbraw/zinc/51/35/79/672513579.db2.gz LQLOWLFUORDBMF-UHFFFAOYSA-N -1 1 363.826 2.371 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccccc2CN2CCNC2=O)c1 ZINC000679653569 672514333 /nfs/dbraw/zinc/51/43/33/672514333.db2.gz KBMYYENJUYTGCJ-UHFFFAOYSA-N -1 1 361.423 2.021 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000589429650 672524493 /nfs/dbraw/zinc/52/44/93/672524493.db2.gz JIMHVPXBJLLLNG-UHFFFAOYSA-N -1 1 350.396 2.463 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(OC)cc(OC)c2)CCCC1 ZINC000589544868 672530752 /nfs/dbraw/zinc/53/07/52/672530752.db2.gz YZVMAGDOLSHZOD-UHFFFAOYSA-N -1 1 357.428 2.179 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000589554428 672531212 /nfs/dbraw/zinc/53/12/12/672531212.db2.gz OVTDJJBCQAYFRI-UHFFFAOYSA-N -1 1 357.428 2.255 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(C)c1 ZINC000187422760 672568103 /nfs/dbraw/zinc/56/81/03/672568103.db2.gz BRFXOXINWNKNTN-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CCOC(=O)N1CC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000187561493 672572424 /nfs/dbraw/zinc/57/24/24/672572424.db2.gz HGQDAFXVVNBYHW-SNVBAGLBSA-N -1 1 357.204 2.115 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2cc(Br)ccc2C)n1 ZINC000187570856 672572673 /nfs/dbraw/zinc/57/26/73/672572673.db2.gz PJWNANOUMAJBHC-UHFFFAOYSA-N -1 1 366.219 2.382 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc([C@H](C)c3cccc(OC)c3)no2)o1 ZINC000680727016 672599453 /nfs/dbraw/zinc/59/94/53/672599453.db2.gz XCPDZNIVQOKIOV-SNVBAGLBSA-N -1 1 363.395 2.398 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cn1 ZINC000590741984 672607517 /nfs/dbraw/zinc/60/75/17/672607517.db2.gz WGLDNMYINOTADB-INIZCTEOSA-N -1 1 364.423 2.388 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)c2cnccc2C)CCc2ccccc21 ZINC000590747094 672608754 /nfs/dbraw/zinc/60/87/54/672608754.db2.gz RSSJSBCLRCHAOS-SFHVURJKSA-N -1 1 360.435 2.073 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3c(O)cccc3F)cc3c2N1CCC3 ZINC000680882406 672610750 /nfs/dbraw/zinc/61/07/50/672610750.db2.gz RQIJLECPKSWJID-UHFFFAOYSA-N -1 1 362.382 2.167 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c(F)c1 ZINC000680950619 672615694 /nfs/dbraw/zinc/61/56/94/672615694.db2.gz BZLSBUUZILEFKK-UHFFFAOYSA-N -1 1 357.794 2.364 20 0 FEADMM C[C@H](Oc1cccc(CO)c1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189980016 672628583 /nfs/dbraw/zinc/62/85/83/672628583.db2.gz HWDLHIGPKMIZCI-VIFPVBQESA-N -1 1 367.199 2.448 20 0 FEADMM O=C(Cc1ccc(I)cc1)[N-]O[C@H]1CCCCO1 ZINC000190911260 672655062 /nfs/dbraw/zinc/65/50/62/672655062.db2.gz DWZTWHXTYCAOEX-ZDUSSCGKSA-N -1 1 361.179 2.408 20 0 FEADMM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1[nH]nc2c1CCCCC2 ZINC000191219891 672661420 /nfs/dbraw/zinc/66/14/20/672661420.db2.gz SHXYWFWNRSUZFX-UHFFFAOYSA-N -1 1 369.393 2.217 20 0 FEADMM NC(=O)CNC(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191388352 672665651 /nfs/dbraw/zinc/66/56/51/672665651.db2.gz PPXHOZUXGLBWNF-UHFFFAOYSA-N -1 1 351.765 2.012 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@H](OC)C(C)C)(C(=O)OC)c1ccccc1 ZINC000592027418 672736428 /nfs/dbraw/zinc/73/64/28/672736428.db2.gz JOEQWCZSBFGUIP-RDJZCZTQSA-N -1 1 357.472 2.055 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)s1 ZINC000592067733 672746014 /nfs/dbraw/zinc/74/60/14/672746014.db2.gz VBZBMWABCXBMRC-ZETCQYMHSA-N -1 1 357.400 2.113 20 0 FEADMM CCCc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000194862004 672769883 /nfs/dbraw/zinc/76/98/83/672769883.db2.gz ZITWFUSWCNIMDL-UHFFFAOYSA-N -1 1 368.480 2.348 20 0 FEADMM C[C@@H]1C[C@H](O)CN1c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000682619844 672779938 /nfs/dbraw/zinc/77/99/38/672779938.db2.gz MADKUGOQXDGOPI-PWSUYJOCSA-N -1 1 369.393 2.120 20 0 FEADMM CCOc1cc(-c2noc(C(C)(C)C(N)=O)n2)cc(Br)c1[O-] ZINC000683451022 672845432 /nfs/dbraw/zinc/84/54/32/672845432.db2.gz WNQWKZIXBXWFQF-UHFFFAOYSA-N -1 1 370.203 2.366 20 0 FEADMM Cc1cc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)nn1C ZINC000683683880 672866074 /nfs/dbraw/zinc/86/60/74/672866074.db2.gz RTKBYEHFBUVIAY-UHFFFAOYSA-N -1 1 351.819 2.141 20 0 FEADMM Cc1cc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)nn1C ZINC000683683880 672866081 /nfs/dbraw/zinc/86/60/81/672866081.db2.gz RTKBYEHFBUVIAY-UHFFFAOYSA-N -1 1 351.819 2.141 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)N1CCC[C@@H](C)C1 ZINC000249700781 672873661 /nfs/dbraw/zinc/87/36/61/672873661.db2.gz HOKVWCOOQSYCBY-VXGBXAGGSA-N -1 1 374.890 2.437 20 0 FEADMM COc1cccc([C@H](CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)N(C)C)c1 ZINC000326388798 673052870 /nfs/dbraw/zinc/05/28/70/673052870.db2.gz KPVVUZDIIIOMOY-LSDHHAIUSA-N -1 1 351.447 2.096 20 0 FEADMM COCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000326545824 673053670 /nfs/dbraw/zinc/05/36/70/673053670.db2.gz VABGHSRAZQNHDN-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000326792193 673055083 /nfs/dbraw/zinc/05/50/83/673055083.db2.gz XWKCQNFYHOJWQB-MRXNPFEDSA-N -1 1 351.790 2.313 20 0 FEADMM CCC(CC)(NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)C(=O)[O-] ZINC000327234570 673058393 /nfs/dbraw/zinc/05/83/93/673058393.db2.gz SBXCCTKEGYJATD-HNNXBMFYSA-N -1 1 351.447 2.241 20 0 FEADMM CC[C@H](C[C@H](C)O)NC(=O)c1ccc(I)c([O-])c1 ZINC000716935693 673075850 /nfs/dbraw/zinc/07/58/50/673075850.db2.gz DBNGMQRVMQMOCM-WCBMZHEXSA-N -1 1 363.195 2.276 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(OC)CCC2)c1F ZINC000594462210 673076189 /nfs/dbraw/zinc/07/61/89/673076189.db2.gz LQIQQIUDXQCBDN-UHFFFAOYSA-N -1 1 365.810 2.113 20 0 FEADMM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)OC ZINC000594462669 673076336 /nfs/dbraw/zinc/07/63/36/673076336.db2.gz FNUIJOSVKSAIMP-AWEZNQCLSA-N -1 1 367.826 2.359 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)O2)c1F ZINC000594464544 673077253 /nfs/dbraw/zinc/07/72/53/673077253.db2.gz PXVNOCQTKGRGIC-WPRPVWTQSA-N -1 1 365.810 2.112 20 0 FEADMM C[C@H]1CCN(C(=O)c2cc(I)ccc2[O-])CCO1 ZINC000720483548 673080433 /nfs/dbraw/zinc/08/04/33/673080433.db2.gz ONSYJCOVICNEPI-VIFPVBQESA-N -1 1 361.179 2.248 20 0 FEADMM O=C(c1cccc(O)c1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000725904098 673096416 /nfs/dbraw/zinc/09/64/16/673096416.db2.gz OUDONYKRXFTUJW-UHFFFAOYSA-N -1 1 360.797 2.349 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)cc1F ZINC000594697008 673118171 /nfs/dbraw/zinc/11/81/71/673118171.db2.gz LZBPKFRSSYRCLN-MRXNPFEDSA-N -1 1 373.446 2.488 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000727356973 673167396 /nfs/dbraw/zinc/16/73/96/673167396.db2.gz JJWMDGHXARIYJI-UHFFFAOYSA-N -1 1 359.407 2.194 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000728016895 673189977 /nfs/dbraw/zinc/18/99/77/673189977.db2.gz XRUMFLUPKIZQRQ-UHFFFAOYSA-N -1 1 366.414 2.472 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)cc1C ZINC000595312845 673221666 /nfs/dbraw/zinc/22/16/66/673221666.db2.gz NPYAHNSJHPVGNZ-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)cc1C ZINC000595313516 673221821 /nfs/dbraw/zinc/22/18/21/673221821.db2.gz AKRVWBDNTGJHNK-LBPRGKRZSA-N -1 1 351.380 2.046 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)C12CCCC2 ZINC000595316151 673222424 /nfs/dbraw/zinc/22/24/24/673222424.db2.gz CPZNVLQQTXFFHB-CHWSQXEVSA-N -1 1 371.455 2.391 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)cc1C ZINC000595318383 673222970 /nfs/dbraw/zinc/22/29/70/673222970.db2.gz QWOGTQSKHBLDDY-CYBMUJFWSA-N -1 1 353.371 2.480 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(F)cc2)cc1C ZINC000595319265 673223420 /nfs/dbraw/zinc/22/34/20/673223420.db2.gz ZSARZRQNKGXNGP-NSHDSACASA-N -1 1 371.386 2.260 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2ccccc2)cc1C ZINC000595323359 673224221 /nfs/dbraw/zinc/22/42/21/673224221.db2.gz MQRAOFAZVKIECN-LBPRGKRZSA-N -1 1 365.407 2.314 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)cc1C ZINC000595323506 673224230 /nfs/dbraw/zinc/22/42/30/673224230.db2.gz YXWKUZRUUGWZNZ-SNVBAGLBSA-N -1 1 373.333 2.065 20 0 FEADMM COCC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CCCCC1 ZINC000595330760 673225859 /nfs/dbraw/zinc/22/58/59/673225859.db2.gz OLRJBQSABRLJIL-UHFFFAOYSA-N -1 1 359.444 2.250 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@](C)(OC)c2ccccc2)cc1C ZINC000595332734 673226299 /nfs/dbraw/zinc/22/62/99/673226299.db2.gz QCXRATUQMFFQQS-KRWDZBQOSA-N -1 1 367.423 2.215 20 0 FEADMM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595340783 673227943 /nfs/dbraw/zinc/22/79/43/673227943.db2.gz HIGNGNGKNLGEQT-UHFFFAOYSA-N -1 1 361.460 2.230 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@H](OC)C2)c1 ZINC000613205570 676117249 /nfs/dbraw/zinc/11/72/49/676117249.db2.gz FABSUNANNMFGTP-STQMWFEESA-N -1 1 370.471 2.176 20 0 FEADMM O=S(=O)(Cc1cccc(F)c1)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000731672089 673337529 /nfs/dbraw/zinc/33/75/29/673337529.db2.gz DPHUJJMALPVINK-UHFFFAOYSA-N -1 1 361.398 2.419 20 0 FEADMM Cc1cc(Br)cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1C ZINC000613473948 676130394 /nfs/dbraw/zinc/13/03/94/676130394.db2.gz DKWSIQCUAGPMLA-SECBINFHSA-N -1 1 352.236 2.455 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]c2cc(C)nc3c2CCCC3)cc1C ZINC000596041948 673352492 /nfs/dbraw/zinc/35/24/92/673352492.db2.gz OMWHQHLGSSDDAA-UHFFFAOYSA-N -1 1 364.423 2.180 20 0 FEADMM O=C(c1sc2cc(F)ccc2c1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089101 673353301 /nfs/dbraw/zinc/35/33/01/673353301.db2.gz BKVPJNIPODLVQS-SECBINFHSA-N -1 1 367.793 2.421 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(I)cc1 ZINC000732215428 673357913 /nfs/dbraw/zinc/35/79/13/673357913.db2.gz PQHCBGZAKQABPT-UHFFFAOYSA-N -1 1 364.164 2.090 20 0 FEADMM CO[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000613555052 676133787 /nfs/dbraw/zinc/13/37/87/676133787.db2.gz LDIBGAFOBCNKQB-ZIAGYGMSSA-N -1 1 367.812 2.403 20 0 FEADMM Cc1nc(SCC(=O)NCCOc2cccc(F)c2)[n-]c(=O)c1C ZINC000537417252 673388599 /nfs/dbraw/zinc/38/85/99/673388599.db2.gz SVYIFGFTCMRIBK-UHFFFAOYSA-N -1 1 351.403 2.225 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCSCC(F)(F)F)o1 ZINC000537655974 673399938 /nfs/dbraw/zinc/39/99/38/673399938.db2.gz WWQMMMHZEODURH-UHFFFAOYSA-N -1 1 361.363 2.030 20 0 FEADMM O=S(=O)([N-]Cc1nccn1CC(F)(F)F)c1cc(F)c(F)cc1F ZINC000538070848 673420975 /nfs/dbraw/zinc/42/09/75/673420975.db2.gz WCEALKSZYWQBOC-UHFFFAOYSA-N -1 1 373.278 2.341 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1 ZINC000538138697 673423925 /nfs/dbraw/zinc/42/39/25/673423925.db2.gz FRHYFVNIQLWGRI-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)OC ZINC000539117690 673475019 /nfs/dbraw/zinc/47/50/19/673475019.db2.gz OBMXZRUCKOVXIB-JTQLQIEISA-N -1 1 368.224 2.208 20 0 FEADMM COc1cccc([C@H](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000538952166 673468155 /nfs/dbraw/zinc/46/81/55/673468155.db2.gz WSTAHWAIGGUBFK-LLVKDONJSA-N -1 1 364.423 2.181 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000539150017 673476612 /nfs/dbraw/zinc/47/66/12/673476612.db2.gz QJHQTJMBCNEWIW-SECBINFHSA-N -1 1 368.434 2.290 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)CCSC)cc1[N-]S(C)(=O)=O ZINC000737063955 673549056 /nfs/dbraw/zinc/54/90/56/673549056.db2.gz SAHKODXXCCZLHR-SNVBAGLBSA-N -1 1 361.489 2.330 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c(F)c1 ZINC000598343967 673561661 /nfs/dbraw/zinc/56/16/61/673561661.db2.gz SDMDHERGQQMWDO-UHFFFAOYSA-N -1 1 365.386 2.068 20 0 FEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737782409 673579841 /nfs/dbraw/zinc/57/98/41/673579841.db2.gz FWCQGTOWEJCONS-OPQQBVKSSA-N -1 1 368.224 2.210 20 0 FEADMM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1ccc(Br)s1 ZINC000542702596 673598403 /nfs/dbraw/zinc/59/84/03/673598403.db2.gz KNOWOZNRNFDNBA-RXMQYKEDSA-N -1 1 368.196 2.102 20 0 FEADMM O=C(Nc1ccccc1CCC(F)(F)F)c1cc(=O)n2[n-]cnc2n1 ZINC000542772080 673604334 /nfs/dbraw/zinc/60/43/34/673604334.db2.gz OUQDTMWSTYQZQG-UHFFFAOYSA-N -1 1 351.288 2.165 20 0 FEADMM O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000738247037 673613037 /nfs/dbraw/zinc/61/30/37/673613037.db2.gz LPLFUXAVZIFQEF-SNVBAGLBSA-N -1 1 367.196 2.202 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1)C(C)(C)C ZINC000599239247 673646509 /nfs/dbraw/zinc/64/65/09/673646509.db2.gz XNMWELRSIUYDMK-ZIAGYGMSSA-N -1 1 361.435 2.020 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCc2ccccn2)c1F ZINC000599267552 673650939 /nfs/dbraw/zinc/65/09/39/673650939.db2.gz OXMRGRYIVNGGLW-UHFFFAOYSA-N -1 1 370.377 2.058 20 0 FEADMM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000599456111 673677475 /nfs/dbraw/zinc/67/74/75/673677475.db2.gz JDEWVSUHUICZBL-MWLCHTKSSA-N -1 1 367.876 2.038 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cn1C ZINC000544818327 673734451 /nfs/dbraw/zinc/73/44/51/673734451.db2.gz UCFREXCWLLPVEI-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM CS[C@H]1CC[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000742737379 673736128 /nfs/dbraw/zinc/73/61/28/673736128.db2.gz AWIHXHCAVSXFNK-KBPBESRZSA-N -1 1 358.467 2.083 20 0 FEADMM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(=O)n2[n-]cnc2n1 ZINC000545378643 673764430 /nfs/dbraw/zinc/76/44/30/673764430.db2.gz RMZAXIRGBLHGBF-UHFFFAOYSA-N -1 1 372.797 2.447 20 0 FEADMM CC(C)[C@H](C(=O)OC(C)(C)C)C([O-])=Nc1nc(C2CCOCC2)ns1 ZINC000600513241 673775469 /nfs/dbraw/zinc/77/54/69/673775469.db2.gz MBYYAFKJDUPNSU-LBPRGKRZSA-N -1 1 369.487 2.406 20 0 FEADMM CCOc1cc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc(Cl)c1[O-] ZINC000545878866 673779766 /nfs/dbraw/zinc/77/97/66/673779766.db2.gz VLLDGBULSYKURN-CQSZACIVSA-N -1 1 362.813 2.271 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc(Cl)c1[O-] ZINC000545878865 673779782 /nfs/dbraw/zinc/77/97/82/673779782.db2.gz VLLDGBULSYKURN-AWEZNQCLSA-N -1 1 362.813 2.271 20 0 FEADMM O=S(=O)([N-]Cc1ccc(CO)c(F)c1)c1ccc(Br)o1 ZINC000546076342 673790758 /nfs/dbraw/zinc/79/07/58/673790758.db2.gz ZMPGQRUIEFBHKN-UHFFFAOYSA-N -1 1 364.192 2.152 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)NC(=O)NC2CC2)nc1-c1ccccc1 ZINC000546641142 673808439 /nfs/dbraw/zinc/80/84/39/673808439.db2.gz LXYAZDQPNZYTPO-UHFFFAOYSA-N -1 1 358.423 2.238 20 0 FEADMM CCc1noc([C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)CC)n1 ZINC000744882933 673815500 /nfs/dbraw/zinc/81/55/00/673815500.db2.gz YNWZEYQRZOEORT-JTQLQIEISA-N -1 1 353.400 2.312 20 0 FEADMM Cc1nnc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000546766747 673816953 /nfs/dbraw/zinc/81/69/53/673816953.db2.gz BIJBLHGUROBTRP-QMMMGPOBSA-N -1 1 372.472 2.007 20 0 FEADMM COC(=O)Cc1csc(N(C)C(=O)Cc2ccc([O-])c(Cl)c2)n1 ZINC000601177980 673831078 /nfs/dbraw/zinc/83/10/78/673831078.db2.gz GULMVLRACNMYAY-UHFFFAOYSA-N -1 1 354.815 2.423 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000547243423 673837285 /nfs/dbraw/zinc/83/72/85/673837285.db2.gz YAYZVKMITOFFHP-UHFFFAOYSA-N -1 1 351.380 2.211 20 0 FEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccccc3C[S@@](C)=O)cc21 ZINC000547243379 673837374 /nfs/dbraw/zinc/83/73/74/673837374.db2.gz WDZVKDKUJZEMNU-HSZRJFAPSA-N -1 1 364.492 2.358 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H]2CCC2(F)F)CCc2ccccc21 ZINC000601345599 673846061 /nfs/dbraw/zinc/84/60/61/673846061.db2.gz DNCCLQJOPZSPGD-XJKSGUPXSA-N -1 1 373.421 2.356 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000547434505 673850133 /nfs/dbraw/zinc/85/01/33/673850133.db2.gz LJBJOLSRFCWPKP-CQSZACIVSA-N -1 1 361.427 2.432 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOC(C)(C)C)c1ccc(F)c(C)c1 ZINC000601393482 673854433 /nfs/dbraw/zinc/85/44/33/673854433.db2.gz BUSSUUBHDUTWPW-AWEZNQCLSA-N -1 1 361.435 2.083 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1OC)c1ccc(C)c(C)c1 ZINC000601394408 673854869 /nfs/dbraw/zinc/85/48/69/673854869.db2.gz SEKBHMURYDJQSS-BZUAXINKSA-N -1 1 355.456 2.004 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601404231 673856561 /nfs/dbraw/zinc/85/65/61/673856561.db2.gz USHVEZDEUACGTM-NSHDSACASA-N -1 1 374.365 2.065 20 0 FEADMM CCOC(=O)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000601420188 673859346 /nfs/dbraw/zinc/85/93/46/673859346.db2.gz CAJINVJZXFJJTQ-BLLLJJGKSA-N -1 1 355.818 2.063 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000547541398 673860572 /nfs/dbraw/zinc/86/05/72/673860572.db2.gz IACKEYHLPOIYNE-UHFFFAOYSA-N -1 1 373.383 2.102 20 0 FEADMM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000746173728 673865864 /nfs/dbraw/zinc/86/58/64/673865864.db2.gz JLRVOFFLVDFLRO-AWEZNQCLSA-N -1 1 361.467 2.443 20 0 FEADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000547617123 673875607 /nfs/dbraw/zinc/87/56/07/673875607.db2.gz PADZZVJMSADAIA-UHFFFAOYSA-N -1 1 364.354 2.346 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2scnc2C)n[n-]1 ZINC000547727809 673884176 /nfs/dbraw/zinc/88/41/76/673884176.db2.gz ABLHRZBOQKITSA-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2scnc2C)[n-]1 ZINC000547727809 673884180 /nfs/dbraw/zinc/88/41/80/673884180.db2.gz ABLHRZBOQKITSA-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2scnc2C)n1 ZINC000547727809 673884184 /nfs/dbraw/zinc/88/41/84/673884184.db2.gz ABLHRZBOQKITSA-SNVBAGLBSA-N -1 1 351.432 2.264 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000548199277 673933126 /nfs/dbraw/zinc/93/31/26/673933126.db2.gz XUACLPIDQYSVGM-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1F)c1c(F)cccc1F ZINC000548268298 673945962 /nfs/dbraw/zinc/94/59/62/673945962.db2.gz KVPIZTSRSVFBGG-GFCCVEGCSA-N -1 1 363.288 2.347 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000567002621 675259506 /nfs/dbraw/zinc/25/95/06/675259506.db2.gz YUHXNKKEGWFJMZ-ZETCQYMHSA-N -1 1 373.341 2.085 20 0 FEADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000567242905 675278322 /nfs/dbraw/zinc/27/83/22/675278322.db2.gz ZUNBOWWGXOKHOL-SECBINFHSA-N -1 1 370.377 2.070 20 0 FEADMM COCCc1ccc(OS(=O)(=O)c2c[n-]nc2C(F)(F)F)cc1 ZINC000820761926 675385886 /nfs/dbraw/zinc/38/58/86/675385886.db2.gz AIXHMVLCLQQBQP-UHFFFAOYSA-N -1 1 350.318 2.385 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cnn3c2OCCC3)n[nH]c1-c1ccccc1 ZINC000820802364 675390387 /nfs/dbraw/zinc/39/03/87/675390387.db2.gz QEUWTJHGSGSXCU-UHFFFAOYSA-N -1 1 359.411 2.165 20 0 FEADMM COc1ccc2c(CC(=O)Nc3ncc(-c4nnn[n-]4)s3)coc2c1 ZINC000821849242 675456186 /nfs/dbraw/zinc/45/61/86/675456186.db2.gz AHFBHPXXYXZHEK-UHFFFAOYSA-N -1 1 356.367 2.259 20 0 FEADMM COc1ccc2c(CC(=O)Nc3ncc(-c4nn[n-]n4)s3)coc2c1 ZINC000821849242 675456187 /nfs/dbraw/zinc/45/61/87/675456187.db2.gz AHFBHPXXYXZHEK-UHFFFAOYSA-N -1 1 356.367 2.259 20 0 FEADMM O=C(OCCOCCOc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823405120 675550689 /nfs/dbraw/zinc/55/06/89/675550689.db2.gz JGIMXJLEAPTWHK-UHFFFAOYSA-N -1 1 360.395 2.181 20 0 FEADMM O=C(OCCOCCOc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823405120 675550691 /nfs/dbraw/zinc/55/06/91/675550691.db2.gz JGIMXJLEAPTWHK-UHFFFAOYSA-N -1 1 360.395 2.181 20 0 FEADMM CCn1ccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC000824956954 675630589 /nfs/dbraw/zinc/63/05/89/675630589.db2.gz NMGMENCCCBUCSG-NHCYSSNCSA-N -1 1 361.368 2.212 20 0 FEADMM O=C(c1cc(F)c[nH]c1=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000825206940 675641583 /nfs/dbraw/zinc/64/15/83/675641583.db2.gz AFJVEMBSWGLKKK-UHFFFAOYSA-N -1 1 365.792 2.243 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC000825494325 675656028 /nfs/dbraw/zinc/65/60/28/675656028.db2.gz WBVZMDMFMWKWDL-CQSZACIVSA-N -1 1 357.439 2.192 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000826047434 675679696 /nfs/dbraw/zinc/67/96/96/675679696.db2.gz KTQKPCXAAMZHBW-LLVKDONJSA-N -1 1 356.213 2.126 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(C)c2F)cc1-c1nn[n-]n1 ZINC000826229930 675684768 /nfs/dbraw/zinc/68/47/68/675684768.db2.gz XAYWAEVTKRMRKR-UHFFFAOYSA-N -1 1 360.374 2.389 20 0 FEADMM Cc1onc(CC(=O)NC2(c3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826346337 675686835 /nfs/dbraw/zinc/68/68/35/675686835.db2.gz JXTMSNUYLFFGRG-UHFFFAOYSA-N -1 1 358.789 2.165 20 0 FEADMM Cc1onc(CC(=O)NC2(c3ccc(Cl)cc3)CC2)c1-c1nn[n-]n1 ZINC000826346337 675686837 /nfs/dbraw/zinc/68/68/37/675686837.db2.gz JXTMSNUYLFFGRG-UHFFFAOYSA-N -1 1 358.789 2.165 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCOc1ccc(Cl)cc1Cl ZINC000826501195 675689705 /nfs/dbraw/zinc/68/97/05/675689705.db2.gz DQBQLHWVXHOXBH-UHFFFAOYSA-N -1 1 352.181 2.414 20 0 FEADMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OC ZINC000827815207 675781040 /nfs/dbraw/zinc/78/10/40/675781040.db2.gz PVQKLTQUAJBPMW-IUODEOHRSA-N -1 1 353.440 2.317 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@@H]1SC ZINC000828155845 675803025 /nfs/dbraw/zinc/80/30/25/675803025.db2.gz SKZWSLVZXWGRMR-XLDPMVHQSA-N -1 1 370.290 2.229 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(Br)c(F)c1 ZINC000605530946 675817868 /nfs/dbraw/zinc/81/78/68/675817868.db2.gz FGAFVKFBQMICID-UHFFFAOYSA-N -1 1 354.183 2.301 20 0 FEADMM CCOC(=O)CS[C@@H](CNC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000828508806 675825425 /nfs/dbraw/zinc/82/54/25/675825425.db2.gz FSJOLYDNCGBCAS-NSHDSACASA-N -1 1 369.336 2.488 20 0 FEADMM COc1cc(NC(=O)NCc2cccc(O)c2)ccc1[N-]S(C)(=O)=O ZINC000607208147 675860757 /nfs/dbraw/zinc/86/07/57/675860757.db2.gz RPMWNDLBCWURFQ-UHFFFAOYSA-N -1 1 365.411 2.094 20 0 FEADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cn1C ZINC000607616733 675871180 /nfs/dbraw/zinc/87/11/80/675871180.db2.gz OPTDWSFMYHSWDZ-UHFFFAOYSA-N -1 1 365.455 2.281 20 0 FEADMM CN(CCN1CC2(C1)CCOCC2)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000829267807 675872999 /nfs/dbraw/zinc/87/29/99/675872999.db2.gz ZVRFHLSBCLMEIP-UHFFFAOYSA-N -1 1 361.467 2.301 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-n2nccn2)cc1C(F)(F)F ZINC000829704591 675887885 /nfs/dbraw/zinc/88/78/85/675887885.db2.gz LDAASXBUIYJBOG-VIFPVBQESA-N -1 1 364.349 2.063 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@]12C[C@H]1CCC2 ZINC000617198042 676274559 /nfs/dbraw/zinc/27/45/59/676274559.db2.gz QLSWQBNFQYXGQP-YMTOWFKASA-N -1 1 363.266 2.331 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2[C@H](C)CO)c(=O)[n-]1 ZINC000617850217 676308813 /nfs/dbraw/zinc/30/88/13/676308813.db2.gz BXBUZJXEELHXJZ-RISCZKNCSA-N -1 1 353.488 2.155 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC3CCSCC3)CC2)n1 ZINC000618292493 676329374 /nfs/dbraw/zinc/32/93/74/676329374.db2.gz PJOZGESHIVIAPJ-UHFFFAOYSA-N -1 1 366.487 2.221 20 0 FEADMM C[C@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CS1(=O)=O ZINC000618326475 676333538 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O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccnn1CC1CCC1 ZINC000901893270 690708832 /nfs/dbraw/zinc/70/88/32/690708832.db2.gz ROVFIVRZYOMLJT-UHFFFAOYSA-N -1 1 358.427 2.065 20 0 FEADMM Cc1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCSCC2)N2CCCC2)o1 ZINC000901934585 690716689 /nfs/dbraw/zinc/71/66/89/690716689.db2.gz MZSRJCNCGMOSHL-AWEZNQCLSA-N -1 1 366.483 2.439 20 0 FEADMM COCC1(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3OC)c2C)CC1 ZINC000901985223 690726448 /nfs/dbraw/zinc/72/64/48/690726448.db2.gz COKVCFRFZYQVIZ-UHFFFAOYSA-N -1 1 351.428 2.314 20 0 FEADMM CCc1oc(CNCc2ccccc2CS(C)(=O)=O)cc1C(=O)[O-] ZINC000902400711 690763265 /nfs/dbraw/zinc/76/32/65/690763265.db2.gz XQDLAZANVXXKBE-UHFFFAOYSA-N -1 1 351.424 2.375 20 0 FEADMM O=C([N-]C[C@@H]1COCCO1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902815509 690810672 /nfs/dbraw/zinc/81/06/72/690810672.db2.gz MXVKJEWCMZJQKG-MRVPVSSYSA-N -1 1 374.693 2.377 20 0 FEADMM COCOc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1 ZINC000903154980 690857095 /nfs/dbraw/zinc/85/70/95/690857095.db2.gz 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/nfs/dbraw/zinc/48/61/98/691486198.db2.gz FRLNTXPVSRWHOE-UHFFFAOYSA-N -1 1 350.282 2.206 20 0 FEADMM Cc1c(Br)csc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473245 691492810 /nfs/dbraw/zinc/49/28/10/691492810.db2.gz RXZQPRPYUMRBOU-QMMMGPOBSA-N -1 1 374.289 2.262 20 0 FEADMM CC(C)c1ccccc1OCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473286 691493468 /nfs/dbraw/zinc/49/34/68/691493468.db2.gz FIYGWNMVSAHOMO-CQSZACIVSA-N -1 1 361.471 2.409 20 0 FEADMM CCC(=CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(OC)cc1 ZINC000907475517 691494518 /nfs/dbraw/zinc/49/45/18/691494518.db2.gz OKEMZGUMTQBUHB-HBIYDYFMSA-N -1 1 359.455 2.318 20 0 FEADMM CCC(=CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(OC)cc1 ZINC000907475518 691494730 /nfs/dbraw/zinc/49/47/30/691494730.db2.gz OKEMZGUMTQBUHB-KUGGDMIFSA-N -1 1 359.455 2.318 20 0 FEADMM Cc1csc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1Br ZINC000907480414 691497354 /nfs/dbraw/zinc/49/73/54/691497354.db2.gz UFVHRFNIMGYHOH-ZETCQYMHSA-N -1 1 374.289 2.262 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481106 691497867 /nfs/dbraw/zinc/49/78/67/691497867.db2.gz ZKMJMIPUPGYGLE-SBMIAAHKSA-N -1 1 369.372 2.037 20 0 FEADMM Cc1nc(Cl)c(Cl)cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481493 691497911 /nfs/dbraw/zinc/49/79/11/691497911.db2.gz WPKZJPFHNAWORS-VIFPVBQESA-N -1 1 359.242 2.140 20 0 FEADMM CC1(C)C[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CCS1 ZINC000907751478 691553340 /nfs/dbraw/zinc/55/33/40/691553340.db2.gz HRXITXXDJCKPKP-SSDOTTSWSA-N -1 1 354.295 2.125 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)c1 ZINC000907760537 691555305 /nfs/dbraw/zinc/55/53/05/691555305.db2.gz IMBZLCRGYOPANV-UGSOOPFHSA-N -1 1 360.435 2.496 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC12CCCC2)c1ccc(Br)o1 ZINC000908188015 691633763 /nfs/dbraw/zinc/63/37/63/691633763.db2.gz WIDKIEYMURDPJH-SECBINFHSA-N -1 1 350.234 2.422 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C)[n-]c1=O ZINC000908016116 691598879 /nfs/dbraw/zinc/59/88/79/691598879.db2.gz JLKPXCZHKQBCHE-LBPRGKRZSA-N -1 1 367.402 2.164 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2C)[n-]c1=O ZINC000908017794 691599160 /nfs/dbraw/zinc/59/91/60/691599160.db2.gz YYEIEHHYZRSVIJ-LBPRGKRZSA-N -1 1 367.402 2.164 20 0 FEADMM O=S(=O)([N-][C@@H]1COC[C@@H]1C1CC1)c1sccc1Br ZINC000908417361 691675984 /nfs/dbraw/zinc/67/59/84/691675984.db2.gz XUVHTNBUQYHCQF-PSASIEDQSA-N -1 1 352.275 2.214 20 0 FEADMM O=S(=O)([N-][C@H]1COC[C@H]1C1CC1)c1sccc1Br ZINC000908417367 691676037 /nfs/dbraw/zinc/67/60/37/691676037.db2.gz XUVHTNBUQYHCQF-WPRPVWTQSA-N -1 1 352.275 2.214 20 0 FEADMM Cc1ccc(Br)cc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908710181 691716591 /nfs/dbraw/zinc/71/65/91/691716591.db2.gz YVVIKWRFHXXLDH-LLVKDONJSA-N -1 1 355.232 2.493 20 0 FEADMM CN(C)c1noc(CCC(=O)Nc2cccc([O-])c2Br)n1 ZINC000908710558 691716648 /nfs/dbraw/zinc/71/66/48/691716648.db2.gz SOYAZASBLUZAFI-UHFFFAOYSA-N -1 1 355.192 2.175 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCc2occc2[C@H]1C(=O)[O-])c1cccs1 ZINC000908747686 691722270 /nfs/dbraw/zinc/72/22/70/691722270.db2.gz USHLYWUYMRJRRR-WFASDCNBSA-N -1 1 363.439 2.337 20 0 FEADMM CN(C)[C@H](CNC(=O)N(CC(=O)[O-])C1CCCC1)c1cccc(F)c1 ZINC000908753714 691723482 /nfs/dbraw/zinc/72/34/82/691723482.db2.gz OFAJUXQGAWUITJ-MRXNPFEDSA-N -1 1 351.422 2.467 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1ccco1 ZINC000908875766 691745423 /nfs/dbraw/zinc/74/54/23/691745423.db2.gz KNJZZVNTVJUUQA-QWRGUYRKSA-N -1 1 365.352 2.367 20 0 FEADMM C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(F)c(CN(C)C)c1)C1CCC1 ZINC000908989484 691762725 /nfs/dbraw/zinc/76/27/25/691762725.db2.gz ZVRYICJWYVAHTD-LBPRGKRZSA-N -1 1 351.422 2.425 20 0 FEADMM C[C@H]1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)[C@@H](C(=O)[O-])C1 ZINC000909095041 691777428 /nfs/dbraw/zinc/77/74/28/691777428.db2.gz JWENSGFYCMLTPS-XJKSGUPXSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H](C(=O)[O-])N(C(=O)NCCN(C)Cc1ccc(F)cc1)C1CCC1 ZINC000909096431 691777861 /nfs/dbraw/zinc/77/78/61/691777861.db2.gz VVUGABSOSWCCKS-ZDUSSCGKSA-N -1 1 351.422 2.295 20 0 FEADMM C[C@@]1(NC(=O)C2CCC(N3CCOCC3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000909529845 691831523 /nfs/dbraw/zinc/83/15/23/691831523.db2.gz FQMDMSWRDZTJIQ-IADFQQGMSA-N -1 1 352.475 2.027 20 0 FEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000909855600 691865083 /nfs/dbraw/zinc/86/50/83/691865083.db2.gz HXNALJWYOBFEFH-HNNXBMFYSA-N -1 1 353.300 2.297 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)C1 ZINC000909989757 691879153 /nfs/dbraw/zinc/87/91/53/691879153.db2.gz IJQSORREYPZWEN-SMDDNHRTSA-N -1 1 354.353 2.208 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000910169655 691896398 /nfs/dbraw/zinc/89/63/98/691896398.db2.gz FZDFZQRWXSDJFF-SNVBAGLBSA-N -1 1 360.332 2.032 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000910172358 691896585 /nfs/dbraw/zinc/89/65/85/691896585.db2.gz AZZBDJKYCOSEIR-VIFPVBQESA-N -1 1 360.241 2.197 20 0 FEADMM COc1ccc([C@@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)C(=O)[O-])cc1F ZINC000797725789 939188818 /nfs/dbraw/zinc/18/88/18/939188818.db2.gz VMRDCHZVSABJCH-SWLSCSKDSA-N -1 1 362.361 2.060 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000005252830 539406363 /nfs/dbraw/zinc/40/63/63/539406363.db2.gz HUTCXNPKCZIVBN-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)cc1 ZINC000014867640 539607050 /nfs/dbraw/zinc/60/70/50/539607050.db2.gz OYRDPHMZCMGMQG-UHFFFAOYSA-N -1 1 367.448 2.402 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1OCC ZINC000017319952 539641779 /nfs/dbraw/zinc/64/17/79/539641779.db2.gz LLVAPVNHNMLRDJ-UHFFFAOYSA-N -1 1 364.423 2.384 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c1 ZINC000024345245 539729435 /nfs/dbraw/zinc/72/94/35/539729435.db2.gz HOZXWRREWRZJNX-UHFFFAOYSA-N -1 1 374.418 2.166 20 0 FEADMM CN1C(=O)c2ccccc2[C@@H]1CN=c1ccc(C(=O)NC2CCCC2)n[n-]1 ZINC000528206120 539740708 /nfs/dbraw/zinc/74/07/08/539740708.db2.gz NOLJHKCGXKPJMK-KRWDZBQOSA-N -1 1 365.437 2.388 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000026535955 539788895 /nfs/dbraw/zinc/78/88/95/539788895.db2.gz QCMUDRGLTVXIIN-UHFFFAOYSA-N -1 1 373.482 2.030 20 0 FEADMM CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000029389163 539851982 /nfs/dbraw/zinc/85/19/82/539851982.db2.gz ZQXXQOROEJSDLY-UHFFFAOYSA-N -1 1 369.347 2.490 20 0 FEADMM C[C@@H]1COCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029914802 539867920 /nfs/dbraw/zinc/86/79/20/539867920.db2.gz ARULSJQXJDTMFV-CQSZACIVSA-N -1 1 360.435 2.348 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccnn2C)cc1 ZINC000030651241 539888360 /nfs/dbraw/zinc/88/83/60/539888360.db2.gz ZZKFCZAQDUWSEZ-UHFFFAOYSA-N -1 1 356.455 2.356 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCSCc2ccc(C)cc2)o1 ZINC000031579765 539912008 /nfs/dbraw/zinc/91/20/08/539912008.db2.gz FHBIMFBPGJEFFV-UHFFFAOYSA-N -1 1 368.480 2.159 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1C(N)=O ZINC000032085107 539928526 /nfs/dbraw/zinc/92/85/26/539928526.db2.gz VLTACMZNPNNGEV-UHFFFAOYSA-N -1 1 373.434 2.243 20 0 FEADMM C[C@@H]1c2cccn2CCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000033016895 539963603 /nfs/dbraw/zinc/96/36/03/539963603.db2.gz IAXGNJQLFCSZHW-GFCCVEGCSA-N -1 1 365.455 2.375 20 0 FEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)no1 ZINC000800906307 674086467 /nfs/dbraw/zinc/08/64/67/674086467.db2.gz CNZXMACDRDZHMT-UHFFFAOYSA-N -1 1 369.830 2.374 20 0 FEADMM CC(C)CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cncc([O-])c1 ZINC000550292691 674088627 /nfs/dbraw/zinc/08/86/27/674088627.db2.gz ZNUCIBAZWMOSRF-IUODEOHRSA-N -1 1 351.472 2.243 20 0 FEADMM Cn1nccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000045958730 540235123 /nfs/dbraw/zinc/23/51/23/540235123.db2.gz IUHOYCJTWNBLKV-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1F ZINC000046698154 540266795 /nfs/dbraw/zinc/26/67/95/540266795.db2.gz KNZRGVPYDKTJAR-UHFFFAOYSA-N -1 1 365.386 2.165 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1Cl ZINC000046570480 540262512 /nfs/dbraw/zinc/26/25/12/540262512.db2.gz ICDVXOCMTQMTGX-UHFFFAOYSA-N -1 1 352.799 2.175 20 0 FEADMM COCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000047199513 540295837 /nfs/dbraw/zinc/29/58/37/540295837.db2.gz LDMRCHDEUUOQLU-UHFFFAOYSA-N -1 1 363.439 2.039 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000048139339 540347384 /nfs/dbraw/zinc/34/73/84/540347384.db2.gz XNWHUAVPIUFUBL-SECBINFHSA-N -1 1 374.365 2.280 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)cc1F ZINC000050533565 540407471 /nfs/dbraw/zinc/40/74/71/540407471.db2.gz RSUPNTUBYDFCJV-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000050603315 540408695 /nfs/dbraw/zinc/40/86/95/540408695.db2.gz QFESFPWIFTUCNL-SECBINFHSA-N -1 1 373.722 2.469 20 0 FEADMM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000054798427 540610696 /nfs/dbraw/zinc/61/06/96/540610696.db2.gz JFAHXUCTYWXUFR-RYUDHWBXSA-N -1 1 362.442 2.131 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000055218197 540636614 /nfs/dbraw/zinc/63/66/14/540636614.db2.gz PBLKZGQUPUXOGH-UHFFFAOYSA-N -1 1 371.673 2.451 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000055259754 540641433 /nfs/dbraw/zinc/64/14/33/540641433.db2.gz TYHOWKGOFZHZPX-UHFFFAOYSA-N -1 1 354.366 2.133 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CCOCC1 ZINC000055620086 540664138 /nfs/dbraw/zinc/66/41/38/540664138.db2.gz MKCGEEFGDLGDBR-UHFFFAOYSA-N -1 1 364.398 2.099 20 0 FEADMM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccccc1[O-] ZINC000056006778 540693797 /nfs/dbraw/zinc/69/37/97/540693797.db2.gz DURKUJGCCBOZNF-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM O=C(Cn1cccn1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058144015 540829767 /nfs/dbraw/zinc/82/97/67/540829767.db2.gz ZYPPKDRHLVSKFJ-UHFFFAOYSA-N -1 1 356.407 2.323 20 0 FEADMM COc1ccccc1-c1nc(=NC(=O)c2cc(-n3ccnc3)ccn2)[n-][nH]1 ZINC000538689217 540880868 /nfs/dbraw/zinc/88/08/68/540880868.db2.gz RPXRNZCZUSSTKS-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCOCC(C)C ZINC000063537315 541172937 /nfs/dbraw/zinc/17/29/37/541172937.db2.gz YXRGRBJFEPQKSE-UHFFFAOYSA-N -1 1 372.469 2.252 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)c2)no1 ZINC000063849842 541188276 /nfs/dbraw/zinc/18/82/76/541188276.db2.gz DTRAMYAHVXATJT-UHFFFAOYSA-N -1 1 370.390 2.340 20 0 FEADMM COc1ccc(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000064316753 541200523 /nfs/dbraw/zinc/20/05/23/541200523.db2.gz REVKYYHLBBIIJO-UHFFFAOYSA-N -1 1 368.437 2.352 20 0 FEADMM COc1cccc2c1OC[C@@H](C(=O)NCc1n[n-]c(=S)n1C(C)C)C2 ZINC000066639296 541352294 /nfs/dbraw/zinc/35/22/94/541352294.db2.gz XLCDKSVRKZLUSA-LBPRGKRZSA-N -1 1 362.455 2.398 20 0 FEADMM CCN(C)C(=O)c1cccc(C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638412 541352975 /nfs/dbraw/zinc/35/29/75/541352975.db2.gz ZGGFVOVQPWHPEE-UHFFFAOYSA-N -1 1 359.455 2.297 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc(-n2ccc(C)n2)cc1 ZINC000542201101 541356740 /nfs/dbraw/zinc/35/67/40/541356740.db2.gz NGUISXCXTGGRHN-UHFFFAOYSA-N -1 1 353.382 2.343 20 0 FEADMM CCS(=O)(=O)c1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066640771 541353551 /nfs/dbraw/zinc/35/35/51/541353551.db2.gz HJZHTRKRKDEUIA-UHFFFAOYSA-N -1 1 368.484 2.245 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCSC(C)(C)C ZINC000066736657 541367941 /nfs/dbraw/zinc/36/79/41/541367941.db2.gz CRYDUVXCRLONAE-UHFFFAOYSA-N -1 1 360.483 2.331 20 0 FEADMM Cn1c(CCNC(=O)c2c3c(nc4ccccc42)CCC3)n[n-]c1=S ZINC000067051270 541411123 /nfs/dbraw/zinc/41/11/23/541411123.db2.gz PSVFJSSTULVIJV-UHFFFAOYSA-N -1 1 353.451 2.487 20 0 FEADMM CC(C)c1noc(CCC(=O)NCCc2n[n-]c(=S)n2C(C)C)n1 ZINC000067074061 541413840 /nfs/dbraw/zinc/41/38/40/541413840.db2.gz IOFUOTHTBZDVIF-UHFFFAOYSA-N -1 1 352.464 2.319 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)n[n-]c1=S ZINC000067071834 541414185 /nfs/dbraw/zinc/41/41/85/541414185.db2.gz LJYYEOLLNRQJHH-JTQLQIEISA-N -1 1 371.532 2.085 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc(-c2cccnc2)on1 ZINC000067080071 541414720 /nfs/dbraw/zinc/41/47/20/541414720.db2.gz ZIQYDIPMSRKRGY-UHFFFAOYSA-N -1 1 356.411 2.298 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067814286 541516896 /nfs/dbraw/zinc/51/68/96/541516896.db2.gz DJYMJVXIBPXACW-ZWKOTPCHSA-N -1 1 360.417 2.355 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 ZINC000543129957 541537194 /nfs/dbraw/zinc/53/71/94/541537194.db2.gz SRNCKLRTVUNBJB-LBPRGKRZSA-N -1 1 359.382 2.205 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068075328 541544144 /nfs/dbraw/zinc/54/41/44/541544144.db2.gz ASNVJCWJKZAXIO-UHFFFAOYSA-N -1 1 367.448 2.311 20 0 FEADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000068216445 541564483 /nfs/dbraw/zinc/56/44/83/541564483.db2.gz DHJPNGHMQFRMCH-SNVBAGLBSA-N -1 1 360.391 2.078 20 0 FEADMM CCn1c(C2CCN(C(=O)CCCN(C)C(=O)OC)CC2)n[n-]c1=S ZINC000068453335 541594118 /nfs/dbraw/zinc/59/41/18/541594118.db2.gz ZTGSNOINIPAIOR-UHFFFAOYSA-N -1 1 369.491 2.145 20 0 FEADMM CCCn1ncnc1COC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000801237308 674112433 /nfs/dbraw/zinc/11/24/33/674112433.db2.gz SURCNXOPFJAZSR-UHFFFAOYSA-N -1 1 366.443 2.197 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2c(C)noc2C)c(=O)[n-]1 ZINC000070937946 541753201 /nfs/dbraw/zinc/75/32/01/541753201.db2.gz NUNXIXGCLHULLQ-VIFPVBQESA-N -1 1 350.444 2.215 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1 ZINC000071081861 541763030 /nfs/dbraw/zinc/76/30/30/541763030.db2.gz LPCOFQZUUPTVTL-UHFFFAOYSA-N -1 1 360.391 2.159 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1C ZINC000071092180 541763755 /nfs/dbraw/zinc/76/37/55/541763755.db2.gz NDANCEUJSAPCNB-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CO)cc2)c1C ZINC000097203277 209174874 /nfs/dbraw/zinc/17/48/74/209174874.db2.gz FXMWKCLNBROJDQ-CYBMUJFWSA-N -1 1 362.451 2.215 20 0 FEADMM CC(C)N1CC[C@H](OC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1=O ZINC000801357606 674123994 /nfs/dbraw/zinc/12/39/94/674123994.db2.gz BXDCLCWXSSIXTM-AWEZNQCLSA-N -1 1 363.801 2.397 20 0 FEADMM O=C(COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCCCC1 ZINC000801358728 674124039 /nfs/dbraw/zinc/12/40/39/674124039.db2.gz BHVJDSGBMXDOBU-UHFFFAOYSA-N -1 1 363.801 2.401 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)ccc1O ZINC000551143183 674126599 /nfs/dbraw/zinc/12/65/99/674126599.db2.gz VHVCRGMRVOWDSN-UHFFFAOYSA-N -1 1 362.363 2.429 20 0 FEADMM COC(C)(C)C(=O)COC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000801428073 674126824 /nfs/dbraw/zinc/12/68/24/674126824.db2.gz YOAGWDWEYVJMTB-UHFFFAOYSA-N -1 1 350.346 2.176 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOC[C@H]1CC(C)C ZINC000072887162 541888925 /nfs/dbraw/zinc/88/89/25/541888925.db2.gz QNFZOESPDWQXJC-OAHLLOKOSA-N -1 1 360.458 2.258 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)Nc1ccc(F)cc1 ZINC000078555473 542467360 /nfs/dbraw/zinc/46/73/60/542467360.db2.gz HXXMPZHJOFJOBL-UHFFFAOYSA-N -1 1 362.304 2.160 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc2c[nH]nc21 ZINC000080099996 542564663 /nfs/dbraw/zinc/56/46/63/542564663.db2.gz OKYUBMKEVTYZLX-UHFFFAOYSA-N -1 1 360.377 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)o1 ZINC000082973655 542686292 /nfs/dbraw/zinc/68/62/92/542686292.db2.gz PRYVKFDELBTTFL-UHFFFAOYSA-N -1 1 366.414 2.347 20 0 FEADMM Cc1ccn2c(c1)n[n-]c2=NC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000088354174 542749895 /nfs/dbraw/zinc/74/98/95/542749895.db2.gz MEKGDEQJCMKJGD-UHFFFAOYSA-N -1 1 359.393 2.953 20 0 FEADMM COCCOC1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000091483504 542810078 /nfs/dbraw/zinc/81/00/78/542810078.db2.gz WYKBRVFMGCOWDR-UHFFFAOYSA-N -1 1 358.442 2.081 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CO)c1ccc(Cl)cc1 ZINC000093026240 542904623 /nfs/dbraw/zinc/90/46/23/542904623.db2.gz FFHFSYOADDDZEQ-NSHDSACASA-N -1 1 364.254 2.047 20 0 FEADMM Cc1cc(N(C)C)ccc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104145186 543124827 /nfs/dbraw/zinc/12/48/27/543124827.db2.gz MHGRPFDCHNCZQY-UHFFFAOYSA-N -1 1 353.426 2.195 20 0 FEADMM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C2 ZINC000105620795 543178391 /nfs/dbraw/zinc/17/83/91/543178391.db2.gz YXCOVAZHIXPFTM-SNVBAGLBSA-N -1 1 373.352 2.395 20 0 FEADMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000106749503 543244945 /nfs/dbraw/zinc/24/49/45/543244945.db2.gz YDXILUOCTYTXMG-UHFFFAOYSA-N -1 1 368.372 2.095 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000106920932 543256142 /nfs/dbraw/zinc/25/61/42/543256142.db2.gz NCPWDVZDUKJKBH-INIZCTEOSA-N -1 1 354.385 2.125 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cc(C)sn2)n[n-]1 ZINC000551922104 674173236 /nfs/dbraw/zinc/17/32/36/674173236.db2.gz HBUSNKAIEZXFOQ-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cc(C)sn2)[n-]1 ZINC000551922104 674173241 /nfs/dbraw/zinc/17/32/41/674173241.db2.gz HBUSNKAIEZXFOQ-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cc(C)sn2)n1 ZINC000551922104 674173243 /nfs/dbraw/zinc/17/32/43/674173243.db2.gz HBUSNKAIEZXFOQ-JTQLQIEISA-N -1 1 351.432 2.264 20 0 FEADMM O=C(NCCc1ccc(I)s1)c1cncc([O-])c1 ZINC000111596501 543407900 /nfs/dbraw/zinc/40/79/00/543407900.db2.gz UBRSIEAQPIZWRT-UHFFFAOYSA-N -1 1 374.203 2.426 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2Cc2ccccc2)n1 ZINC000113421504 543487295 /nfs/dbraw/zinc/48/72/95/543487295.db2.gz BALSDWWMJXANHV-UHFFFAOYSA-N -1 1 356.407 2.051 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cc2ccccc2)[n-]1 ZINC000113421504 543487296 /nfs/dbraw/zinc/48/72/96/543487296.db2.gz BALSDWWMJXANHV-UHFFFAOYSA-N -1 1 356.407 2.051 20 0 FEADMM Cc1c2cc(F)ccc2sc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000113421887 543487426 /nfs/dbraw/zinc/48/74/26/543487426.db2.gz XLYCKXISKJAPDK-UHFFFAOYSA-N -1 1 354.388 2.123 20 0 FEADMM Cc1c2cc(F)ccc2sc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000113421887 543487429 /nfs/dbraw/zinc/48/74/29/543487429.db2.gz XLYCKXISKJAPDK-UHFFFAOYSA-N -1 1 354.388 2.123 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ncc[nH]3)c2)cc1 ZINC000114338362 543510271 /nfs/dbraw/zinc/51/02/71/543510271.db2.gz LNPJTURXMSAWOH-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM COc1cc(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000551987619 674179165 /nfs/dbraw/zinc/17/91/65/674179165.db2.gz OCCCIWAYBXATFI-QWRGUYRKSA-N -1 1 371.459 2.144 20 0 FEADMM COc1ccc(C2(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)CCCC2)cc1OC ZINC000124212612 543807481 /nfs/dbraw/zinc/80/74/81/543807481.db2.gz UIPKUECWFUBOJM-CYBMUJFWSA-N -1 1 373.457 2.291 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cccc3C2)o1 ZINC000124259944 543810247 /nfs/dbraw/zinc/81/02/47/543810247.db2.gz XIKOZGFPCOBTHL-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccc(Br)cc1)c1nn[n-]n1 ZINC000124580413 543830680 /nfs/dbraw/zinc/83/06/80/543830680.db2.gz DLXUMDQLKBXTGY-NXEZZACHSA-N -1 1 352.236 2.328 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccccc1OCc1cscn1)c1nn[n-]n1 ZINC000124651104 543835062 /nfs/dbraw/zinc/83/50/62/543835062.db2.gz PPNDVDKFAAGUKT-LLVKDONJSA-N -1 1 358.427 2.111 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000124732402 543840040 /nfs/dbraw/zinc/84/00/40/543840040.db2.gz ONWWDGFMWDRPDE-UHFFFAOYSA-N -1 1 356.470 2.367 20 0 FEADMM O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCN(C2CCCC2)CC1 ZINC000124958086 543853011 /nfs/dbraw/zinc/85/30/11/543853011.db2.gz SXSVRFQAWNSPIA-GOSISDBHSA-N -1 1 371.481 2.084 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(OC3CCCCC3)CC2)co1 ZINC000125149763 543864187 /nfs/dbraw/zinc/86/41/87/543864187.db2.gz MRDFAGGRLGQFQF-UHFFFAOYSA-N -1 1 370.471 2.142 20 0 FEADMM O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000125230222 543868945 /nfs/dbraw/zinc/86/89/45/543868945.db2.gz UEGQKXCAWSRXQS-QGZVFWFLSA-N -1 1 358.413 2.418 20 0 FEADMM C[C@@H](CCO)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000125893100 543907463 /nfs/dbraw/zinc/90/74/63/543907463.db2.gz VLCLFLHSEPMYGI-JTQLQIEISA-N -1 1 364.348 2.423 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)CO)c2)cc1 ZINC000125916781 543908630 /nfs/dbraw/zinc/90/86/30/543908630.db2.gz WLNWGRVXFLMISU-AWEZNQCLSA-N -1 1 362.451 2.249 20 0 FEADMM C[C@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127190560 543977591 /nfs/dbraw/zinc/97/75/91/543977591.db2.gz IHEHIKQHSPZKAL-MRVPVSSYSA-N -1 1 354.819 2.136 20 0 FEADMM NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000131297994 544184568 /nfs/dbraw/zinc/18/45/68/544184568.db2.gz VKFKAQZVEZRKKJ-SNVBAGLBSA-N -1 1 355.232 2.272 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)ccc1C ZINC000134447852 544308120 /nfs/dbraw/zinc/30/81/20/544308120.db2.gz HVBYSEJZKVRBSM-UHFFFAOYSA-N -1 1 373.438 2.344 20 0 FEADMM CCC[C@H](NC(=O)CN[C@H](c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC000136674673 544376579 /nfs/dbraw/zinc/37/65/79/544376579.db2.gz YSIGBDSLOZOOEE-WCQYABFASA-N -1 1 356.352 2.050 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1nn[n-]n1 ZINC000136722315 544378292 /nfs/dbraw/zinc/37/82/92/544378292.db2.gz JEMKGQKDQQDVJZ-CQSZACIVSA-N -1 1 358.446 2.133 20 0 FEADMM CC(C)(C)C[C@@H](NC(=O)CS(=O)(=O)c1nc[n-]n1)c1ccc(F)cc1 ZINC000150950310 544489552 /nfs/dbraw/zinc/48/95/52/544489552.db2.gz RGGUJBRPUPYWJM-CYBMUJFWSA-N -1 1 368.434 2.011 20 0 FEADMM C[S@](=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151202671 544516676 /nfs/dbraw/zinc/51/66/76/544516676.db2.gz XXWIRGTYJZPWTJ-HXUWFJFHSA-N -1 1 363.810 2.406 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000153117797 544734530 /nfs/dbraw/zinc/73/45/30/544734530.db2.gz YTONTTMVMWEKDE-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000153220341 544748885 /nfs/dbraw/zinc/74/88/85/544748885.db2.gz NNTMVAMUPBSGDU-CABZTGNLSA-N -1 1 357.334 2.179 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(CC)cccc2CC)n[n-]1 ZINC000153161566 544741237 /nfs/dbraw/zinc/74/12/37/544741237.db2.gz SBAOUPFSPNFYDA-NSHDSACASA-N -1 1 364.471 2.293 20 0 FEADMM CCCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000155278193 545007273 /nfs/dbraw/zinc/00/72/73/545007273.db2.gz XNMZLLOQVJQROB-KGLIPLIRSA-N -1 1 372.487 2.244 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1cncc([O-])c1 ZINC000552521386 674213296 /nfs/dbraw/zinc/21/32/96/674213296.db2.gz CVOLWQLSSNVBOS-LBPRGKRZSA-N -1 1 365.227 2.131 20 0 FEADMM Cc1nc2sccn2c(=O)c1CCOC(=O)c1c([O-])cc(F)cc1F ZINC000803321604 674235602 /nfs/dbraw/zinc/23/56/02/674235602.db2.gz MSDKYKIRUKAYSQ-UHFFFAOYSA-N -1 1 366.345 2.448 20 0 FEADMM CC(C)(C)Oc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cn1 ZINC000181008166 327712120 /nfs/dbraw/zinc/71/21/20/327712120.db2.gz SBQUQFJMUKTEIE-UHFFFAOYSA-N -1 1 352.394 2.425 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)N(C)CC3)c(=O)[n-]1 ZINC000181952590 327754414 /nfs/dbraw/zinc/75/44/14/327754414.db2.gz ZDGRLNRLKSJMPI-UHFFFAOYSA-N -1 1 358.467 2.364 20 0 FEADMM COCC(=O)N[C@H](C(=O)Nc1cc(C)cc(Br)c1[O-])C(C)C ZINC000182911079 327793363 /nfs/dbraw/zinc/79/33/63/327793363.db2.gz IUGDAKNILRKDLO-ZDUSSCGKSA-N -1 1 373.247 2.189 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc(C(=O)[O-])c1C ZINC000184965339 327892367 /nfs/dbraw/zinc/89/23/67/327892367.db2.gz YYOKOGRMYFCHOO-AWEZNQCLSA-N -1 1 368.499 2.400 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOCC2(CCOCC2)C1 ZINC000185164743 327903434 /nfs/dbraw/zinc/90/34/34/327903434.db2.gz VJUCTYBDSKGVNA-UHFFFAOYSA-N -1 1 370.243 2.424 20 0 FEADMM COC[C@H](C)n1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000187533482 328032160 /nfs/dbraw/zinc/03/21/60/328032160.db2.gz QJFRQNPFXUAMKT-NSHDSACASA-N -1 1 372.429 2.027 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)N2CCc3sccc3C2)[n-]1 ZINC000187592019 328034760 /nfs/dbraw/zinc/03/47/60/328034760.db2.gz IYXRHEKLVAWSHS-VIFPVBQESA-N -1 1 351.453 2.323 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000187592019 328034762 /nfs/dbraw/zinc/03/47/62/328034762.db2.gz IYXRHEKLVAWSHS-VIFPVBQESA-N -1 1 351.453 2.323 20 0 FEADMM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000188137082 328068610 /nfs/dbraw/zinc/06/86/10/328068610.db2.gz UAMIXFWCUVJHNO-CYBMUJFWSA-N -1 1 372.245 2.200 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC[C@H](O)C1)c1cc(Br)c(F)cc1F ZINC000188334108 328081319 /nfs/dbraw/zinc/08/13/19/328081319.db2.gz KTSBWQXBASRWCG-YUMQZZPRSA-N -1 1 370.215 2.167 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(Cc2ccccc2F)CC1 ZINC000188404515 328085104 /nfs/dbraw/zinc/08/51/04/328085104.db2.gz KCDCVKVMSSPLPZ-UHFFFAOYSA-N -1 1 368.412 2.418 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@@H]1CCO)c1sccc1Br ZINC000188922367 328117972 /nfs/dbraw/zinc/11/79/72/328117972.db2.gz 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Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)cc2n(C)c1=O ZINC000050530872 324695990 /nfs/dbraw/zinc/69/59/90/324695990.db2.gz WTWMSEUAACGAPN-UHFFFAOYSA-N -1 1 357.435 2.167 20 0 FEADMM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000078529657 325050020 /nfs/dbraw/zinc/05/00/20/325050020.db2.gz JGJBRFMSUXIUAH-UHFFFAOYSA-N -1 1 364.389 2.175 20 0 FEADMM O=C(Cc1ccc(-n2cccn2)cc1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000078582417 325052446 /nfs/dbraw/zinc/05/24/46/325052446.db2.gz QDOBOKZYMWKQLK-UHFFFAOYSA-N -1 1 368.466 2.363 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cn3cccc(C)c3n2)c(=O)[n-]1 ZINC000078778467 325061826 /nfs/dbraw/zinc/06/18/26/325061826.db2.gz UUGYGMCUDSVKFH-UHFFFAOYSA-N -1 1 371.466 2.005 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000081534904 325181694 /nfs/dbraw/zinc/18/16/94/325181694.db2.gz RYGUZBLHNIIHGO-NSHDSACASA-N -1 1 358.467 2.394 20 0 FEADMM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCN(C2CCCC2)CC1 ZINC000081937683 325204002 /nfs/dbraw/zinc/20/40/02/325204002.db2.gz 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ZINC000106234223 325593219 /nfs/dbraw/zinc/59/32/19/325593219.db2.gz BBIUSFCWXCDLAH-AWEZNQCLSA-N -1 1 352.412 2.264 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCN(C)c2ccccc2F)o1 ZINC000107699876 325633507 /nfs/dbraw/zinc/63/35/07/325633507.db2.gz WEGZEOJNZXTPFI-UHFFFAOYSA-N -1 1 370.402 2.010 20 0 FEADMM COC(=O)[C@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)C(C)C ZINC000109891863 325679965 /nfs/dbraw/zinc/67/99/65/325679965.db2.gz JCCCNVWSNBIDRM-GFCCVEGCSA-N -1 1 368.484 2.373 20 0 FEADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C[C@H](C)O1 ZINC000111025836 325699397 /nfs/dbraw/zinc/69/93/97/325699397.db2.gz SSXSYVVSYCNPGG-XJKSGUPXSA-N -1 1 370.453 2.099 20 0 FEADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cn1 ZINC000116600136 326026732 /nfs/dbraw/zinc/02/67/32/326026732.db2.gz KKKQCMMBADARPB-UHFFFAOYSA-N -1 1 374.466 2.015 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC1CCN(c3cccs3)CC1)c2=O ZINC000119338403 326151459 /nfs/dbraw/zinc/15/14/59/326151459.db2.gz RQQVPADVFPVIOQ-UHFFFAOYSA-N -1 1 357.439 2.134 20 0 FEADMM CC[C@@H](C)Oc1cc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)ccn1 ZINC000119490534 326168359 /nfs/dbraw/zinc/16/83/59/326168359.db2.gz RMDPWHMWCIFDRU-LLVKDONJSA-N -1 1 355.398 2.176 20 0 FEADMM CCCC[C@H](COC)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000119601224 326179458 /nfs/dbraw/zinc/17/94/58/326179458.db2.gz FIVRAQHNKJKVHK-OAHLLOKOSA-N -1 1 358.442 2.004 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](O)C3)cc2)c1C ZINC000119731943 326192655 /nfs/dbraw/zinc/19/26/55/326192655.db2.gz GLQLQEZGDOQSSN-INIZCTEOSA-N -1 1 374.462 2.311 20 0 FEADMM CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000120150433 326235286 /nfs/dbraw/zinc/23/52/86/326235286.db2.gz VGZSCHJDNWKVHH-CQSZACIVSA-N -1 1 362.451 2.088 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)CO)c2)cc1 ZINC000120505859 326264105 /nfs/dbraw/zinc/26/41/05/326264105.db2.gz QXHATPMKSFGKAR-CQSZACIVSA-N -1 1 362.451 2.154 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@H](CO)C1 ZINC000120555328 326268257 /nfs/dbraw/zinc/26/82/57/326268257.db2.gz GSPONUGDUZLQHX-OAHLLOKOSA-N -1 1 374.462 2.332 20 0 FEADMM CC(C)N(CC(F)F)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000123321329 326427398 /nfs/dbraw/zinc/42/73/98/326427398.db2.gz JNJLKECBYLYEKW-UHFFFAOYSA-N -1 1 352.403 2.472 20 0 FEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124281453 326450978 /nfs/dbraw/zinc/45/09/78/326450978.db2.gz OWQQAEZOJAZWKJ-LLVKDONJSA-N -1 1 352.799 2.041 20 0 FEADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000125378733 326470682 /nfs/dbraw/zinc/47/06/82/326470682.db2.gz PQYWIUOASDOORB-NSHDSACASA-N -1 1 351.204 2.261 20 0 FEADMM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000126846549 326496220 /nfs/dbraw/zinc/49/62/20/326496220.db2.gz LNBQLDDOBYMFKK-KRWDZBQOSA-N -1 1 373.840 2.030 20 0 FEADMM NC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])Cc1ccc(F)cc1 ZINC000127714093 326511327 /nfs/dbraw/zinc/51/13/27/326511327.db2.gz GIWNGXFFQJRABC-LLVKDONJSA-N -1 1 350.777 2.259 20 0 FEADMM CC(C)C(=O)N1CCCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000132256614 326589646 /nfs/dbraw/zinc/58/96/46/326589646.db2.gz MJJHQTUJYREDMJ-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)[C@@H]1CCOC1 ZINC000135109597 326636412 /nfs/dbraw/zinc/63/64/12/326636412.db2.gz LPNNANSIIRFZNL-JGVFFNPUSA-N -1 1 369.668 2.201 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H](C)c2ccc(OC)cc2)o1 ZINC000150762941 326667311 /nfs/dbraw/zinc/66/73/11/326667311.db2.gz VTTGWARSOIIKCE-GFCCVEGCSA-N -1 1 366.439 2.120 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)c2cccc(F)c2)c1 ZINC000153259317 326728309 /nfs/dbraw/zinc/72/83/09/326728309.db2.gz RCVBAMIZIWGEFT-UHFFFAOYSA-N -1 1 355.387 2.461 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)co1 ZINC000153821998 326743784 /nfs/dbraw/zinc/74/37/84/326743784.db2.gz VWBRSVVLAVWNAE-SNVBAGLBSA-N -1 1 372.830 2.038 20 0 FEADMM CCc1n[nH]c(=O)c(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1CC ZINC000153997998 326748484 /nfs/dbraw/zinc/74/84/84/326748484.db2.gz NPCXQGPVQGJMQC-UHFFFAOYSA-N -1 1 365.817 2.192 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC3(CCCCC3)C2)co1 ZINC000155433032 326787912 /nfs/dbraw/zinc/78/79/12/326787912.db2.gz VYMIVPLASCXZKF-UHFFFAOYSA-N -1 1 358.485 2.080 20 0 FEADMM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000162264580 327020872 /nfs/dbraw/zinc/02/08/72/327020872.db2.gz RTUDNQUGZCWCFI-UHFFFAOYSA-N -1 1 351.288 2.236 20 0 FEADMM CC(C)NC(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000162283386 327021461 /nfs/dbraw/zinc/02/14/61/327021461.db2.gz RTKGWIRUJCYLBD-UHFFFAOYSA-N -1 1 350.382 2.257 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000164600570 327072260 /nfs/dbraw/zinc/07/22/60/327072260.db2.gz HEQXOYGTYCEREM-SECBINFHSA-N -1 1 370.331 2.317 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000164801566 327074415 /nfs/dbraw/zinc/07/44/15/327074415.db2.gz RYTQJQZIDJEEND-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000164834936 327074916 /nfs/dbraw/zinc/07/49/16/327074916.db2.gz XDSRCPWTKRMQMF-UHFFFAOYSA-N -1 1 367.471 2.202 20 0 FEADMM O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ncccc1[O-] ZINC000171121393 327119272 /nfs/dbraw/zinc/11/92/72/327119272.db2.gz HXZZCLZHHQWTOV-OAHLLOKOSA-N -1 1 361.829 2.244 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc([C@H](C)O)cc2)c(=O)[n-]1 ZINC000171131282 327119912 /nfs/dbraw/zinc/11/99/12/327119912.db2.gz LKKADIPKQSKVAH-LBPRGKRZSA-N -1 1 361.467 2.103 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000171236342 327126662 /nfs/dbraw/zinc/12/66/62/327126662.db2.gz DYJSGARVYRQIQQ-UHFFFAOYSA-N -1 1 361.829 2.277 20 0 FEADMM O=C(c1ncccc1[O-])N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000171275947 327129297 /nfs/dbraw/zinc/12/92/97/327129297.db2.gz UUPDXZLURVENCC-UHFFFAOYSA-N -1 1 351.406 2.229 20 0 FEADMM O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ncccc1[O-] ZINC000171282209 327129512 /nfs/dbraw/zinc/12/95/12/327129512.db2.gz BFRMKJHUDSNVNJ-OAHLLOKOSA-N -1 1 361.829 2.244 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000171456449 327140526 /nfs/dbraw/zinc/14/05/26/327140526.db2.gz OEJRPJLDPNFQDB-UHFFFAOYSA-N -1 1 374.828 2.160 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(-c2cnco2)c1 ZINC000171676557 327154294 /nfs/dbraw/zinc/15/42/94/327154294.db2.gz CKZWWRQAZFMOJL-UHFFFAOYSA-N -1 1 363.377 2.476 20 0 FEADMM Cc1cc(C(=O)N2CC[C@H](C)c3ccccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172602974 327210683 /nfs/dbraw/zinc/21/06/83/327210683.db2.gz GEUVYDWTMULDKV-JTQLQIEISA-N -1 1 350.378 2.486 20 0 FEADMM Cc1cc(C(=O)N2CC[C@H](C)c3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000172602974 327210684 /nfs/dbraw/zinc/21/06/84/327210684.db2.gz GEUVYDWTMULDKV-JTQLQIEISA-N -1 1 350.378 2.486 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000173471281 327259645 /nfs/dbraw/zinc/25/96/45/327259645.db2.gz UVQSOINCQXOCIO-MRVPVSSYSA-N -1 1 361.389 2.364 20 0 FEADMM COC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000173728922 327279372 /nfs/dbraw/zinc/27/93/72/327279372.db2.gz VTUZGIHFILXYNT-UHFFFAOYSA-N -1 1 358.204 2.431 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1 ZINC000174259182 327315840 /nfs/dbraw/zinc/31/58/40/327315840.db2.gz RBDKDWYZHPXQGX-QFIPXVFZSA-N -1 1 352.437 2.183 20 0 FEADMM CCc1nnnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000174258232 327315904 /nfs/dbraw/zinc/31/59/04/327315904.db2.gz OCDBQWXQBOXGNO-UHFFFAOYSA-N -1 1 373.438 2.343 20 0 FEADMM Cc1cc(N2CC[C@@H](NC(=O)c3ccc4ccccc4c3[O-])C2=O)n(C)n1 ZINC000174595526 327337048 /nfs/dbraw/zinc/33/70/48/327337048.db2.gz SBQSGMQTWDLYSC-MRXNPFEDSA-N -1 1 364.405 2.123 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(OCC(=O)N(C)C)c1 ZINC000174681698 327343415 /nfs/dbraw/zinc/34/34/15/327343415.db2.gz JTNMIKPZAVJRDF-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000175180090 327378474 /nfs/dbraw/zinc/37/84/74/327378474.db2.gz RCALYSATTMPPSB-CQSZACIVSA-N -1 1 350.415 2.396 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1CCN(c2ncnc3sccc32)CC1 ZINC000175189149 327378910 /nfs/dbraw/zinc/37/89/10/327378910.db2.gz ZXCHFLKDOFBUDX-UHFFFAOYSA-N -1 1 358.398 2.498 20 0 FEADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ncccc1[O-] ZINC000176434171 327455800 /nfs/dbraw/zinc/45/58/00/327455800.db2.gz UIFDESICBMMCCS-LBPRGKRZSA-N -1 1 370.327 2.318 20 0 FEADMM CCS[C@@H]1CCC[C@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000178035519 327560693 /nfs/dbraw/zinc/56/06/93/327560693.db2.gz SMNOLHWWGWYCMA-HZPDHXFCSA-N -1 1 372.494 2.473 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000246738929 328642019 /nfs/dbraw/zinc/64/20/19/328642019.db2.gz WHAVAZCYCPXLTR-FQOARCPFSA-N -1 1 369.430 2.462 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC000263328896 328933439 /nfs/dbraw/zinc/93/34/39/328933439.db2.gz LBQCOMOKXJNMKV-KBMXLJTQSA-N -1 1 363.458 2.477 20 0 FEADMM CN(C)[C@H](CNC(=O)NCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263404050 328937821 /nfs/dbraw/zinc/93/78/21/328937821.db2.gz SQSIMADMPHKQLF-CYBMUJFWSA-N -1 1 361.364 2.472 20 0 FEADMM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000263800735 328963609 /nfs/dbraw/zinc/96/36/09/328963609.db2.gz JVKFLVVYGOVCQO-ZETCQYMHSA-N -1 1 357.657 2.201 20 0 FEADMM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000263822203 328965689 /nfs/dbraw/zinc/96/56/89/328965689.db2.gz QXSDOKUEOJCHGC-UHFFFAOYSA-N -1 1 358.366 2.128 20 0 FEADMM COc1cccc([C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000264267475 329005920 /nfs/dbraw/zinc/00/59/20/329005920.db2.gz VSQPRSNOGYHYHB-LLVKDONJSA-N -1 1 354.410 2.068 20 0 FEADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000264744723 329055766 /nfs/dbraw/zinc/05/57/66/329055766.db2.gz RUYUWUQKOHFXSV-UHFFFAOYSA-N -1 1 369.377 2.007 20 0 FEADMM O=C(NC[C@H]1CCC[C@@H]1O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000266385109 329217587 /nfs/dbraw/zinc/21/75/87/329217587.db2.gz UQNRPTLPKICHTO-QAPCUYQASA-N -1 1 374.462 2.378 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c[nH]1 ZINC000266507740 329230997 /nfs/dbraw/zinc/23/09/97/329230997.db2.gz XREAAYWIOFHAEX-UHFFFAOYSA-N -1 1 366.395 2.424 20 0 FEADMM COC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccco1 ZINC000266908955 329271850 /nfs/dbraw/zinc/27/18/50/329271850.db2.gz KRQZKZOBAPLAQO-HNNXBMFYSA-N -1 1 368.393 2.192 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000267253940 329307288 /nfs/dbraw/zinc/30/72/88/329307288.db2.gz BYMLVEIOYXFICE-UHFFFAOYSA-N -1 1 363.439 2.105 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccco1 ZINC000268104755 329385808 /nfs/dbraw/zinc/38/58/08/329385808.db2.gz CTYGISWLHKPUGB-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2cccc(F)c2)C(C)C)co1 ZINC000270138939 329577336 /nfs/dbraw/zinc/57/73/36/329577336.db2.gz ZOJQCSNNXATZDB-UHFFFAOYSA-N -1 1 354.403 2.378 20 0 FEADMM CC(C)(C)C(=O)NCCCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271502612 329698749 /nfs/dbraw/zinc/69/87/49/329698749.db2.gz KYAGHBMUAODENH-UHFFFAOYSA-N -1 1 373.450 2.078 20 0 FEADMM COc1ccc(NC(=O)NC[C@H]2CCO[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000271606738 329707165 /nfs/dbraw/zinc/70/71/65/329707165.db2.gz VFJCACAYQCMMQX-RYUDHWBXSA-N -1 1 371.459 2.003 20 0 FEADMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272144614 329755702 /nfs/dbraw/zinc/75/57/02/329755702.db2.gz KSIQQVNUSAGYKU-QMMMGPOBSA-N -1 1 355.243 2.399 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(=O)[n-]1 ZINC000272224895 329761619 /nfs/dbraw/zinc/76/16/19/329761619.db2.gz KYMHOXBZHYUQSH-KGLIPLIRSA-N -1 1 367.515 2.401 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC(CCCO)CC1 ZINC000272796965 329814037 /nfs/dbraw/zinc/81/40/37/329814037.db2.gz FEDAPLSVAMMVDQ-UHFFFAOYSA-N -1 1 370.453 2.106 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273340988 329856996 /nfs/dbraw/zinc/85/69/96/329856996.db2.gz AMZDEMQBZQOPIS-XLIONFOSSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000273346029 329857410 /nfs/dbraw/zinc/85/74/10/329857410.db2.gz BGRJWZCXJAWJBI-YLJYHZDGSA-N -1 1 368.437 2.169 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccc(C)c(OC)c3)no2)co1 ZINC000273802848 329893162 /nfs/dbraw/zinc/89/31/62/329893162.db2.gz WGPHCIXFFYTDLX-UHFFFAOYSA-N -1 1 363.395 2.146 20 0 FEADMM CCCc1nc([C@@H]([N-]S(=O)(=O)C[C@@H](C)OC)c2ccccc2)no1 ZINC000367038592 330210041 /nfs/dbraw/zinc/21/00/41/330210041.db2.gz ZSSGLESVWBAOFR-DOMZBBRYSA-N -1 1 353.444 2.066 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000367124278 330219576 /nfs/dbraw/zinc/21/95/76/330219576.db2.gz FFNYFKABCRJPNH-BDJLRTHQSA-N -1 1 374.418 2.398 20 0 FEADMM O=C(NCc1nnc(-c2ccccc2)s1)c1ccc2n[n-]c(=S)n2c1 ZINC000367181312 330226784 /nfs/dbraw/zinc/22/67/84/330226784.db2.gz QBDNEAFIDANVAT-UHFFFAOYSA-N -1 1 368.447 2.467 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O)c2=O ZINC000375777877 330250082 /nfs/dbraw/zinc/25/00/82/330250082.db2.gz VTSGZUXHAZYDSN-CLCXKQKWSA-N -1 1 358.442 2.220 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000804863386 674304239 /nfs/dbraw/zinc/30/42/39/674304239.db2.gz GXNWFQFPWAYSKN-RUZDIDTESA-N -1 1 361.467 2.423 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@H](c2ccsc2)N(C)C)s[n-]1 ZINC000554925526 674341769 /nfs/dbraw/zinc/34/17/69/674341769.db2.gz ZEVRXELOPHLGPE-MWLCHTKSSA-N -1 1 355.489 2.153 20 0 FEADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC[C@@H]1O ZINC000186755117 518184601 /nfs/dbraw/zinc/18/46/01/518184601.db2.gz RMXVOSLJAUPELJ-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM O=C(c1ccccc1OCc1cscn1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155467700 545530104 /nfs/dbraw/zinc/53/01/04/545530104.db2.gz HACKEUSXRAVNOG-GFCCVEGCSA-N -1 1 370.438 2.255 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2COc3ccc(C)cc32)c(=O)[n-]1 ZINC000156231847 545610385 /nfs/dbraw/zinc/61/03/85/545610385.db2.gz YJTLXNZWTCLVAY-CQSZACIVSA-N -1 1 359.451 2.291 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(N2CCCC2)nn1 ZINC000156333215 545617992 /nfs/dbraw/zinc/61/79/92/545617992.db2.gz PFRWMJBTWMDYHN-UHFFFAOYSA-N -1 1 364.203 2.192 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000477380573 561143551 /nfs/dbraw/zinc/14/35/51/561143551.db2.gz YLTKFRRDFKCKJK-OCCSQVGLSA-N -1 1 373.409 2.115 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000477380568 561143624 /nfs/dbraw/zinc/14/36/24/561143624.db2.gz YLTKFRRDFKCKJK-GXTWGEPZSA-N -1 1 373.409 2.115 20 0 FEADMM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cs1 ZINC000157596763 545759382 /nfs/dbraw/zinc/75/93/82/545759382.db2.gz PKKGMXCFRIVPNY-UHFFFAOYSA-N -1 1 357.360 2.274 20 0 FEADMM COCCC1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000477779026 561153048 /nfs/dbraw/zinc/15/30/48/561153048.db2.gz JVNXNDFWJPJFDB-UHFFFAOYSA-N -1 1 358.460 2.045 20 0 FEADMM [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(O)c(F)c2)N1)OCCCO4 ZINC000159003089 545913891 /nfs/dbraw/zinc/91/38/91/545913891.db2.gz GWMHNDMWHOJHFG-INIZCTEOSA-N -1 1 369.356 2.139 20 0 FEADMM COc1ccc(-c2cnc(CCC(=O)N(C)C[C@H](C)c3nn[n-]n3)o2)cc1 ZINC000478582357 561170202 /nfs/dbraw/zinc/17/02/02/561170202.db2.gz QTTVTKZDDNAMQQ-LBPRGKRZSA-N -1 1 370.413 2.058 20 0 FEADMM COc1ccc(C(=O)CCC(=O)N(C)C[C@H](C)c2nn[n-]n2)c(Cl)c1 ZINC000478604544 561170906 /nfs/dbraw/zinc/17/09/06/561170906.db2.gz YSTPVAWXECTRBG-JTQLQIEISA-N -1 1 365.821 2.087 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1OC ZINC000478697968 561173053 /nfs/dbraw/zinc/17/30/53/561173053.db2.gz IOXLJVFOJUYMPF-UHFFFAOYSA-N -1 1 371.392 2.042 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)o1 ZINC000479179531 561183591 /nfs/dbraw/zinc/18/35/91/561183591.db2.gz DIATVRAWYZQQEG-LLVKDONJSA-N -1 1 371.386 2.341 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1 ZINC000171333863 546203899 /nfs/dbraw/zinc/20/38/99/546203899.db2.gz FZEMCFCCTVDOGF-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000175643741 546326614 /nfs/dbraw/zinc/32/66/14/546326614.db2.gz HBRSWMQAQWDYQO-FLCAKIMKSA-N -1 1 351.440 2.323 20 0 FEADMM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000175645346 546327072 /nfs/dbraw/zinc/32/70/72/546327072.db2.gz WOYFZWYJPVZWHF-QSRBQVKKSA-N -1 1 351.440 2.323 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000175859159 546362953 /nfs/dbraw/zinc/36/29/53/546362953.db2.gz ZLPPFSROHPICQI-UONOGXRCSA-N -1 1 350.440 2.161 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000480092767 561202884 /nfs/dbraw/zinc/20/28/84/561202884.db2.gz KMMKOMRITWJCMT-SECBINFHSA-N -1 1 360.382 2.207 20 0 FEADMM C[C@H](O)C[C@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000176135838 546411860 /nfs/dbraw/zinc/41/18/60/546411860.db2.gz YEOALBBWYSKIMC-IUCAKERBSA-N -1 1 363.195 2.134 20 0 FEADMM O=C(CCc1ccc(-c2ccccc2F)o1)NCCCc1nc(=O)[n-][nH]1 ZINC000176254496 546424499 /nfs/dbraw/zinc/42/44/99/546424499.db2.gz BBRYJBYMSVXGHZ-UHFFFAOYSA-N -1 1 358.373 2.179 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000176292080 546428742 /nfs/dbraw/zinc/42/87/42/546428742.db2.gz GXYIODBINJJVRQ-UHFFFAOYSA-N -1 1 371.485 2.431 20 0 FEADMM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1cccc(F)c1F ZINC000480428650 561209145 /nfs/dbraw/zinc/20/91/45/561209145.db2.gz ZOSSXJQLJKLYSE-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM CCC[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1nn[n-]n1 ZINC000176779864 546486929 /nfs/dbraw/zinc/48/69/29/546486929.db2.gz IALSJGRSYPACBQ-CQSZACIVSA-N -1 1 359.821 2.369 20 0 FEADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000177051002 546532203 /nfs/dbraw/zinc/53/22/03/546532203.db2.gz XHIDQVNNCKGRDN-UHFFFAOYSA-N -1 1 372.472 2.141 20 0 FEADMM C[C@@H]1CN=C(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)S1 ZINC000177219762 546573495 /nfs/dbraw/zinc/57/34/95/546573495.db2.gz YLEFQJGNJPITAN-GFCCVEGCSA-N -1 1 359.451 2.108 20 0 FEADMM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C(=O)OCC)o2)CCC1 ZINC000480826961 561217654 /nfs/dbraw/zinc/21/76/54/561217654.db2.gz VSOSPZPCDLYGEP-UHFFFAOYSA-N -1 1 359.444 2.332 20 0 FEADMM C[C@@]1(O)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000177419374 546614100 /nfs/dbraw/zinc/61/41/00/546614100.db2.gz XOZUCNKNVKVSDG-GOSISDBHSA-N -1 1 360.435 2.084 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cncc([O-])c1 ZINC000178068859 546733780 /nfs/dbraw/zinc/73/37/80/546733780.db2.gz DLQLLWJHZWAIOR-LBPRGKRZSA-N -1 1 370.327 2.267 20 0 FEADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc(F)c(F)c1 ZINC000178144270 546745561 /nfs/dbraw/zinc/74/55/61/546745561.db2.gz YRZSTKFPATZDLX-UHFFFAOYSA-N -1 1 359.375 2.095 20 0 FEADMM O=S(=O)(Cc1ccon1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481496858 561234123 /nfs/dbraw/zinc/23/41/23/561234123.db2.gz UOIBNXKRZYTNNB-NSHDSACASA-N -1 1 351.211 2.134 20 0 FEADMM O=S(=O)([N-][C@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)nc1Cl ZINC000178703984 546835883 /nfs/dbraw/zinc/83/58/83/546835883.db2.gz WKKDOCKHYIVVBS-GXFFZTMASA-N -1 1 359.234 2.325 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2O)ccc1OCC(=O)[O-] ZINC000481571796 561236438 /nfs/dbraw/zinc/23/64/38/561236438.db2.gz QKCGXDSSTGQYEL-UHFFFAOYSA-N -1 1 355.343 2.104 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2Br)c1 ZINC000178797531 546851832 /nfs/dbraw/zinc/85/18/32/546851832.db2.gz QRKRSXDSWIOMFL-UHFFFAOYSA-N -1 1 371.212 2.432 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@@H](c2ccccc2)O1 ZINC000179454446 546956840 /nfs/dbraw/zinc/95/68/40/546956840.db2.gz VVAFHTYKEULZLH-WBMJQRKESA-N -1 1 352.394 2.276 20 0 FEADMM O=S(=O)([N-]c1ccncc1F)c1ccc(OCC(F)(F)F)nc1 ZINC000180168614 547061832 /nfs/dbraw/zinc/06/18/32/547061832.db2.gz UEYMKZUOPLSDSK-UHFFFAOYSA-N -1 1 351.281 2.358 20 0 FEADMM CCc1nn(C)c(OC)c1CNC(=O)c1ccc(Br)cc1[O-] ZINC000180282651 547078807 /nfs/dbraw/zinc/07/88/07/547078807.db2.gz GMGWYUNTOHRVMW-UHFFFAOYSA-N -1 1 368.231 2.389 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3c(F)cccc3F)[nH]c21 ZINC000180306436 547082091 /nfs/dbraw/zinc/08/20/91/547082091.db2.gz QCYVVJXOQBKSFL-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCNC2=O)cc1F ZINC000180343404 547088415 /nfs/dbraw/zinc/08/84/15/547088415.db2.gz LNPVWGWBPWQXSV-UHFFFAOYSA-N -1 1 363.414 2.460 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2[O-])[nH]n1 ZINC000180931974 547212622 /nfs/dbraw/zinc/21/26/22/547212622.db2.gz UZUVONQXPCYCIU-UHFFFAOYSA-N -1 1 354.160 2.307 20 0 FEADMM CC(C)[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000181009836 547229949 /nfs/dbraw/zinc/22/99/49/547229949.db2.gz ONJBUNLOAGILCA-QGZVFWFLSA-N -1 1 362.451 2.234 20 0 FEADMM CC(C)Cc1ccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000181034741 547236414 /nfs/dbraw/zinc/23/64/14/547236414.db2.gz PLMQGNBTBLXTRC-UHFFFAOYSA-N -1 1 362.451 2.419 20 0 FEADMM Cn1cc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c2ccccc21 ZINC000181034715 547236770 /nfs/dbraw/zinc/23/67/70/547236770.db2.gz YSABIJGIKSNQEQ-UHFFFAOYSA-N -1 1 373.434 2.103 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nncn2c1 ZINC000181056738 547240168 /nfs/dbraw/zinc/24/01/68/547240168.db2.gz JVYQMIZWGMEZMF-UHFFFAOYSA-N -1 1 359.411 2.133 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)c(C)c1F ZINC000181145225 547257606 /nfs/dbraw/zinc/25/76/06/547257606.db2.gz POUAIHBKKCHFPJ-UHFFFAOYSA-N -1 1 366.370 2.388 20 0 FEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181669025 547357058 /nfs/dbraw/zinc/35/70/58/547357058.db2.gz MBVRKRRXAYNNAV-UHFFFAOYSA-N -1 1 356.350 2.230 20 0 FEADMM O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc([O-])cc1F ZINC000181952746 547412188 /nfs/dbraw/zinc/41/21/88/547412188.db2.gz PBQOELZHEUBWCH-MRXNPFEDSA-N -1 1 354.341 2.364 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)co1 ZINC000183010584 547587829 /nfs/dbraw/zinc/58/78/29/547587829.db2.gz ZJHRBEAXFBZDGC-SECBINFHSA-N -1 1 356.366 2.285 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000484748434 561305212 /nfs/dbraw/zinc/30/52/12/561305212.db2.gz CRHILTNCOSLARM-HNNXBMFYSA-N -1 1 362.455 2.369 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCSC[C@@H]1c1nccs1)c2=O ZINC000184159869 547778358 /nfs/dbraw/zinc/77/83/58/547778358.db2.gz ZERSIKXLHHGJCM-LLVKDONJSA-N -1 1 361.452 2.061 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1ncc(-c3ccccc3)cn1)c2=O ZINC000184322235 547806975 /nfs/dbraw/zinc/80/69/75/547806975.db2.gz USXGEVNZGWBFMC-UHFFFAOYSA-N -1 1 360.377 2.061 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cn1 ZINC000184493354 547836452 /nfs/dbraw/zinc/83/64/52/547836452.db2.gz ROCJHQVBDYYQNA-QHCPKHFHSA-N -1 1 368.480 2.468 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000184916078 547899455 /nfs/dbraw/zinc/89/94/55/547899455.db2.gz PDGPRGPCWUTEGD-AAEUAGOBSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000184914805 547899541 /nfs/dbraw/zinc/89/95/41/547899541.db2.gz XVBWVGZBRBLBCI-JSGCOSHPSA-N -1 1 354.472 2.092 20 0 FEADMM Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000185615567 548010474 /nfs/dbraw/zinc/01/04/74/548010474.db2.gz UGKKTEMXFDQELD-UHFFFAOYSA-N -1 1 358.217 2.216 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@@H](COCC2CC2)C1 ZINC000485541313 561321812 /nfs/dbraw/zinc/32/18/12/561321812.db2.gz OIXHZFYAXQMUKO-CYBMUJFWSA-N -1 1 370.243 2.422 20 0 FEADMM Cn1ccnc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000485626210 561324319 /nfs/dbraw/zinc/32/43/19/561324319.db2.gz KTANMTWDUKQOGI-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM CCOc1cc(C(=O)Nc2ccc3[nH]nnc3c2)ccc1OCC(=O)[O-] ZINC000485650379 561324917 /nfs/dbraw/zinc/32/49/17/561324917.db2.gz YSWQXSVYTOZOLQ-UHFFFAOYSA-N -1 1 356.338 2.072 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000486008485 561335110 /nfs/dbraw/zinc/33/51/10/561335110.db2.gz RCKAMTAKXAGESF-UHFFFAOYSA-N -1 1 363.716 2.305 20 0 FEADMM COc1sc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1Br ZINC000486148758 561339350 /nfs/dbraw/zinc/33/93/50/561339350.db2.gz UFXIFJVLASRGBA-NSCUHMNNSA-N -1 1 353.201 2.421 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)s1 ZINC000486561606 561350821 /nfs/dbraw/zinc/35/08/21/561350821.db2.gz LRGHEVNKVSXUQV-UHFFFAOYSA-N -1 1 355.372 2.351 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000486804196 561357230 /nfs/dbraw/zinc/35/72/30/561357230.db2.gz ZYLWYJJMYRVUIZ-UHFFFAOYSA-N -1 1 372.410 2.016 20 0 FEADMM CCCCCNC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195128252 548580666 /nfs/dbraw/zinc/58/06/66/548580666.db2.gz WYQRMIZJEXGNKL-NSHDSACASA-N -1 1 368.434 2.079 20 0 FEADMM CCCCCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195128252 548580670 /nfs/dbraw/zinc/58/06/70/548580670.db2.gz WYQRMIZJEXGNKL-NSHDSACASA-N -1 1 368.434 2.079 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175570 548591138 /nfs/dbraw/zinc/59/11/38/548591138.db2.gz YXWRRZORKMNOHS-RYUDHWBXSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175570 548591143 /nfs/dbraw/zinc/59/11/43/548591143.db2.gz YXWRRZORKMNOHS-RYUDHWBXSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195175570 548591147 /nfs/dbraw/zinc/59/11/47/548591147.db2.gz YXWRRZORKMNOHS-RYUDHWBXSA-N -1 1 356.492 2.056 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1NC(N)=O ZINC000487380145 561368772 /nfs/dbraw/zinc/36/87/72/561368772.db2.gz QQQQRRVNLCYXLY-UHFFFAOYSA-N -1 1 363.395 2.189 20 0 FEADMM CN(CCCCCO)C(=O)c1ccc(I)c([O-])c1 ZINC000228672483 548754679 /nfs/dbraw/zinc/75/46/79/548754679.db2.gz DUYWRMDOZZWBNO-UHFFFAOYSA-N -1 1 363.195 2.231 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)c2ccc(I)c([O-])c2)CC[N@@H+]1C ZINC000230897119 548760885 /nfs/dbraw/zinc/76/08/85/548760885.db2.gz JURCYGDVSXKQRY-MWLCHTKSSA-N -1 1 374.222 2.209 20 0 FEADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc(I)c([O-])c1 ZINC000230904196 548762715 /nfs/dbraw/zinc/76/27/15/548762715.db2.gz IUNQYKYJETZBRM-YPMHNXCESA-N -1 1 373.190 2.294 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000230906838 548763035 /nfs/dbraw/zinc/76/30/35/548763035.db2.gz PSJICSFWQVEMIM-WCBMZHEXSA-N -1 1 361.179 2.294 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000236568506 548767284 /nfs/dbraw/zinc/76/72/84/548767284.db2.gz WRMAJASGFUPFAM-YPMHNXCESA-N -1 1 373.190 2.390 20 0 FEADMM CC[C@@H](CNC(=O)c1ccc(C(=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000236976395 548792293 /nfs/dbraw/zinc/79/22/93/548792293.db2.gz SGNXTPBEDRAPRB-KRWDZBQOSA-N -1 1 353.422 2.347 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000237565654 548835715 /nfs/dbraw/zinc/83/57/15/548835715.db2.gz DALPOJVIBKCAMO-OCCSQVGLSA-N -1 1 354.472 2.092 20 0 FEADMM O=C([O-])[C@@H]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000246522317 549152635 /nfs/dbraw/zinc/15/26/35/549152635.db2.gz RIGKVRZCIIUUMO-MFKMUULPSA-N -1 1 358.316 2.097 20 0 FEADMM COc1cc(C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc(Cl)c1[O-] ZINC000489313063 561407902 /nfs/dbraw/zinc/40/79/02/561407902.db2.gz KMRNWVOYMIQKSW-NSHDSACASA-N -1 1 352.818 2.139 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000248515426 549452943 /nfs/dbraw/zinc/45/29/43/549452943.db2.gz FZYSTFUBXUJNHR-RCBQFDQVSA-N -1 1 371.441 2.285 20 0 FEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2c1 ZINC000489890496 561421724 /nfs/dbraw/zinc/42/17/24/561421724.db2.gz YRVNFVGSPAUBSW-UHFFFAOYSA-N -1 1 356.361 2.100 20 0 FEADMM C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(N)=O ZINC000490103021 561426728 /nfs/dbraw/zinc/42/67/28/561426728.db2.gz ZVIZPMHSQBPZGY-BONVTDFDSA-N -1 1 370.833 2.415 20 0 FEADMM CN(Cc1ccccc1Br)C(=O)CN1CCC(C(=O)[O-])CC1 ZINC000261784170 549754561 /nfs/dbraw/zinc/75/45/61/549754561.db2.gz XFLFVAYBRSEEDA-UHFFFAOYSA-N -1 1 369.259 2.204 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000261857665 549763119 /nfs/dbraw/zinc/76/31/19/549763119.db2.gz OEVXQPBHRHRSNJ-UONOGXRCSA-N -1 1 368.499 2.346 20 0 FEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263184783 549884163 /nfs/dbraw/zinc/88/41/63/549884163.db2.gz USQUFEBGSAILAE-IKGGRYGDSA-N -1 1 354.491 2.275 20 0 FEADMM C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000263571882 549909842 /nfs/dbraw/zinc/90/98/42/549909842.db2.gz KAPBGMYAIGPAJF-OASPWFOLSA-N -1 1 362.323 2.135 20 0 FEADMM COc1ccccc1[C@@H](CC(C)C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000491233084 561444143 /nfs/dbraw/zinc/44/41/43/561444143.db2.gz XNXHNFUSZUVZPX-OAHLLOKOSA-N -1 1 371.437 2.429 20 0 FEADMM CC(C)(O)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268663126 550100778 /nfs/dbraw/zinc/10/07/78/550100778.db2.gz VAVUSOZTUCPMQV-UHFFFAOYSA-N -1 1 350.293 2.004 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)[C@@H](C)c2ccccc2)co1 ZINC000270047361 550245755 /nfs/dbraw/zinc/24/57/55/550245755.db2.gz LLOCMLAHGQYOLD-ZDUSSCGKSA-N -1 1 366.439 2.038 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000270064491 550246414 /nfs/dbraw/zinc/24/64/14/550246414.db2.gz XTTYZDHAJNDCKM-SNVBAGLBSA-N -1 1 366.395 2.064 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@@H]1O ZINC000270559475 550283566 /nfs/dbraw/zinc/28/35/66/550283566.db2.gz KAIBUHXGRPFOOT-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cc2C1=O ZINC000271306969 550363288 /nfs/dbraw/zinc/36/32/88/550363288.db2.gz KFRSOORDYDCNPP-UHFFFAOYSA-N -1 1 372.446 2.441 20 0 FEADMM CC(C)c1ccc(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c([O-])c1 ZINC000271312316 550363568 /nfs/dbraw/zinc/36/35/68/550363568.db2.gz SQNSRJLZVZPALZ-UHFFFAOYSA-N -1 1 369.421 2.373 20 0 FEADMM O=S(=O)([N-]C[C@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1F ZINC000271485785 550378749 /nfs/dbraw/zinc/37/87/49/550378749.db2.gz YOZCMENKIYPRNU-VIFPVBQESA-N -1 1 351.346 2.068 20 0 FEADMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272174514 550426966 /nfs/dbraw/zinc/42/69/66/550426966.db2.gz HSZTWWJAGPHQJZ-MRVPVSSYSA-N -1 1 355.243 2.254 20 0 FEADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000272434538 550447885 /nfs/dbraw/zinc/44/78/85/550447885.db2.gz KBSMCGKZGJEAMA-UHFFFAOYSA-N -1 1 363.342 2.453 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cn1 ZINC000273175780 550488496 /nfs/dbraw/zinc/48/84/96/550488496.db2.gz LEBZFVUXCREDEH-SNVBAGLBSA-N -1 1 363.395 2.001 20 0 FEADMM Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1NC(=O)c1ccco1 ZINC000273567526 550503451 /nfs/dbraw/zinc/50/34/51/550503451.db2.gz JMWZDUKHOTWXBN-LBPRGKRZSA-N -1 1 368.397 2.229 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC[C@H]2CCO[C@@H](C)C2)c(=O)[n-]1 ZINC000273622408 550505804 /nfs/dbraw/zinc/50/58/04/550505804.db2.gz VXEAAJZBIFTZKQ-AAEUAGOBSA-N -1 1 353.488 2.467 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)[C@]12CCCO2 ZINC000274119134 550523889 /nfs/dbraw/zinc/52/38/89/550523889.db2.gz ANJIOYYXKTXNCA-VLXJIEOASA-N -1 1 363.458 2.245 20 0 FEADMM C[C@@H](CN(C)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1nn[n-]n1 ZINC000274825561 550557689 /nfs/dbraw/zinc/55/76/89/550557689.db2.gz YJGFDZNRBDCDKP-ZDUSSCGKSA-N -1 1 374.445 2.203 20 0 FEADMM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]C)o3)cc2O1 ZINC000276949734 550614446 /nfs/dbraw/zinc/61/44/46/550614446.db2.gz QLHYCTWJXJZTGH-MRXNPFEDSA-N -1 1 366.395 2.337 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000277751482 550710039 /nfs/dbraw/zinc/71/00/39/550710039.db2.gz PRHFWNQVXVWUFD-UHFFFAOYSA-N -1 1 364.352 2.279 20 0 FEADMM O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(O)c(Br)c1 ZINC000279805732 550930815 /nfs/dbraw/zinc/93/08/15/550930815.db2.gz DWLTZTURQMMRMT-UHFFFAOYSA-N -1 1 354.248 2.216 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2SC)o1 ZINC000280019413 550953233 /nfs/dbraw/zinc/95/32/33/550953233.db2.gz NFFXRVVLRNNFMO-UHFFFAOYSA-N -1 1 354.453 2.182 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)co1 ZINC000280361032 550985293 /nfs/dbraw/zinc/98/52/93/550985293.db2.gz XQPIIEQTLYPBNM-DOMZBBRYSA-N -1 1 366.414 2.393 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CC2CCN(c3ccccc3)CC2)c1Cl ZINC000280402899 550989863 /nfs/dbraw/zinc/98/98/63/550989863.db2.gz IMLALTYQXSIJRR-UHFFFAOYSA-N -1 1 368.890 2.268 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)c1nn[n-]n1 ZINC000280519696 551003299 /nfs/dbraw/zinc/00/32/99/551003299.db2.gz AYOJAVAFQRGQLL-SNVBAGLBSA-N -1 1 361.406 2.213 20 0 FEADMM C[S@@](=O)C1(C[N-]S(=O)(=O)c2sccc2Br)CCC1 ZINC000280800466 551033598 /nfs/dbraw/zinc/03/35/98/551033598.db2.gz RWAGRVNZYJLWQC-QGZVFWFLSA-N -1 1 372.331 2.090 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1)OCO2 ZINC000281162682 551069685 /nfs/dbraw/zinc/06/96/85/551069685.db2.gz PFQLOGBFZYHPJI-HSZRJFAPSA-N -1 1 367.448 2.403 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000496550607 561494540 /nfs/dbraw/zinc/49/45/40/561494540.db2.gz GDRBSBSUKFOAPK-LLVKDONJSA-N -1 1 365.459 2.181 20 0 FEADMM O=C([N-]CC1CCN(C(=O)[C@H]2COc3ccccc32)CC1)C(F)(F)F ZINC000281650913 551126049 /nfs/dbraw/zinc/12/60/49/551126049.db2.gz IEFNFNVGCSKBGL-ZDUSSCGKSA-N -1 1 356.344 2.080 20 0 FEADMM COc1ccc2ccc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2c1 ZINC000497139591 561497417 /nfs/dbraw/zinc/49/74/17/561497417.db2.gz CWXPFFUCIOURLF-UHFFFAOYSA-N -1 1 372.402 2.454 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2SC)o1 ZINC000282040776 551172938 /nfs/dbraw/zinc/17/29/38/551172938.db2.gz JPSLUPQKEVOEAX-JTQLQIEISA-N -1 1 354.453 2.401 20 0 FEADMM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000282224230 551197624 /nfs/dbraw/zinc/19/76/24/551197624.db2.gz HKAMXISIEYEDLP-UHFFFAOYSA-N -1 1 364.258 2.213 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2nc(Cl)ccc2[O-])=NO1 ZINC000282361125 551217048 /nfs/dbraw/zinc/21/70/48/551217048.db2.gz OJJKVFQDNQRCND-MRVPVSSYSA-N -1 1 370.793 2.049 20 0 FEADMM CC1(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCS1(=O)=O ZINC000282444323 551229820 /nfs/dbraw/zinc/22/98/20/551229820.db2.gz ISPVFKVSJBLVKE-UHFFFAOYSA-N -1 1 368.842 2.243 20 0 FEADMM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282666434 551257311 /nfs/dbraw/zinc/25/73/11/551257311.db2.gz OMHJKGHXUJQTGB-SNVBAGLBSA-N -1 1 359.813 2.335 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000282926711 551286054 /nfs/dbraw/zinc/28/60/54/551286054.db2.gz FPSISNNTXIOKQZ-UHFFFAOYSA-N -1 1 374.857 2.029 20 0 FEADMM O=C(C(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1)c1ccc([O-])cc1 ZINC000282935768 551287326 /nfs/dbraw/zinc/28/73/26/551287326.db2.gz DBGQOZJSRHODGJ-LBPRGKRZSA-N -1 1 372.450 2.196 20 0 FEADMM O=C(CSc1ccccc1Cl)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282999281 551295555 /nfs/dbraw/zinc/29/55/55/551295555.db2.gz VLHWFTAFGDZVBH-JTQLQIEISA-N -1 1 352.847 2.250 20 0 FEADMM Cc1cc(Br)ccc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283013014 551297919 /nfs/dbraw/zinc/29/79/19/551297919.db2.gz WPBFQJUDTYJYBN-JTQLQIEISA-N -1 1 365.231 2.189 20 0 FEADMM CC(C)(C)OC(=O)c1cnc(C(=O)Nc2nc(Cl)ccc2[O-])cn1 ZINC000283024886 551299408 /nfs/dbraw/zinc/29/94/08/551299408.db2.gz HZMVZQQQNMLSQU-UHFFFAOYSA-N -1 1 350.762 2.438 20 0 FEADMM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000284162906 551495705 /nfs/dbraw/zinc/49/57/05/551495705.db2.gz FUUAXGNZXJUCGF-UHFFFAOYSA-N -1 1 374.821 2.479 20 0 FEADMM C[C@@H](CCO)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498213920 561518870 /nfs/dbraw/zinc/51/88/70/561518870.db2.gz KWRSAQSZAUNZMQ-ZDUSSCGKSA-N -1 1 363.439 2.380 20 0 FEADMM C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284428648 551547012 /nfs/dbraw/zinc/54/70/12/551547012.db2.gz YKMKCXWPMPUBAD-OLZOCXBDSA-N -1 1 367.409 2.118 20 0 FEADMM O=C([O-])C[C@@H](CCNS(=O)(=O)c1cccc(F)c1F)C(F)(F)F ZINC000285053215 551697179 /nfs/dbraw/zinc/69/71/79/551697179.db2.gz JSHKNVFWSOTPEH-SSDOTTSWSA-N -1 1 361.288 2.286 20 0 FEADMM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000285093508 551703752 /nfs/dbraw/zinc/70/37/52/551703752.db2.gz MXSHLFZXPBRJGS-UHFFFAOYSA-N -1 1 371.846 2.235 20 0 FEADMM O=C([N-]N1CCCNC1=O)c1cc(Cl)cc(F)c1Br ZINC000285686055 551795194 /nfs/dbraw/zinc/79/51/94/551795194.db2.gz QIDILCPIYHRQIL-UHFFFAOYSA-N -1 1 350.575 2.302 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c(=O)[n-]1 ZINC000285911893 551826425 /nfs/dbraw/zinc/82/64/25/551826425.db2.gz UCCVWQKPTTWROZ-KGLIPLIRSA-N -1 1 351.472 2.315 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@]2(CCCOC2)C1 ZINC000286390783 551882524 /nfs/dbraw/zinc/88/25/24/551882524.db2.gz OPLZTFCXVZWBRX-OAHLLOKOSA-N -1 1 356.216 2.176 20 0 FEADMM C[C@H]1CCN(C(=O)NCc2cccn2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000286681914 551914183 /nfs/dbraw/zinc/91/41/83/551914183.db2.gz MRBPMZWTYKQGCP-GVXVVHGQSA-N -1 1 360.380 2.012 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N(CCCO)Cc3cccc(Cl)c3)ccnc1-2 ZINC000287113962 551965244 /nfs/dbraw/zinc/96/52/44/551965244.db2.gz KAMKMTYGGCEQME-JWGURIENSA-N -1 1 373.844 2.412 20 0 FEADMM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000287182701 551973708 /nfs/dbraw/zinc/97/37/08/551973708.db2.gz HKOIHXFTKJUWBS-WCQYABFASA-N -1 1 369.259 2.090 20 0 FEADMM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000287182709 551973778 /nfs/dbraw/zinc/97/37/78/551973778.db2.gz HKOIHXFTKJUWBS-YPMHNXCESA-N -1 1 369.259 2.090 20 0 FEADMM C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000287202540 551975911 /nfs/dbraw/zinc/97/59/11/551975911.db2.gz LZESFKYCDGLGLV-KSSFIOAISA-N -1 1 374.462 2.326 20 0 FEADMM C[C@@H](CCO)N(Cc1ccccc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287622169 552026763 /nfs/dbraw/zinc/02/67/63/552026763.db2.gz NOIALSHYLVWVOR-AEWZPABSSA-N -1 1 353.426 2.147 20 0 FEADMM COCCCO[N-]C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000287877178 552057700 /nfs/dbraw/zinc/05/77/00/552057700.db2.gz QIDXTIWLNMJUCS-ZDUSSCGKSA-N -1 1 374.359 2.138 20 0 FEADMM CC(C)[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)NC(=O)OC(C)(C)C ZINC000287957392 552067839 /nfs/dbraw/zinc/06/78/39/552067839.db2.gz LBRJNVIWWJITRA-AWEZNQCLSA-N -1 1 350.415 2.240 20 0 FEADMM O=C(C(=O)N1CCC(Oc2cncc(Cl)n2)CC1)c1ccc([O-])cc1 ZINC000288101484 552091217 /nfs/dbraw/zinc/09/12/17/552091217.db2.gz BZRYOKBNANXLSE-UHFFFAOYSA-N -1 1 361.785 2.088 20 0 FEADMM O=S(=O)(Cc1ccccc1Cl)[N-][C@H]1COc2ccccc2[C@H]1O ZINC000288308277 552130168 /nfs/dbraw/zinc/13/01/68/552130168.db2.gz DSUMUUWQQPLISA-GOEBONIOSA-N -1 1 353.827 2.254 20 0 FEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000288467323 552158040 /nfs/dbraw/zinc/15/80/40/552158040.db2.gz PEGDOWGJFDUJCI-SWLSCSKDSA-N -1 1 362.426 2.337 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000288496545 552163326 /nfs/dbraw/zinc/16/33/26/552163326.db2.gz RDCLVSSNFKQLAL-JSGCOSHPSA-N -1 1 362.426 2.479 20 0 FEADMM CC(C)CCN(C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C1CCCC1 ZINC000289023700 552253880 /nfs/dbraw/zinc/25/38/80/552253880.db2.gz AMWYIGJSTIQJOY-JWGURIENSA-N -1 1 357.458 2.098 20 0 FEADMM Cc1nc([C@@H](C)NC(=O)NCc2ccc(O)c(Br)c2)n[nH]1 ZINC000289093007 552265035 /nfs/dbraw/zinc/26/50/35/552265035.db2.gz FHHMFIRVRYPLAH-SSDOTTSWSA-N -1 1 354.208 2.142 20 0 FEADMM Cc1cnc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000289435901 552321137 /nfs/dbraw/zinc/32/11/37/552321137.db2.gz FKVLACSEIMUQRP-VIFPVBQESA-N -1 1 350.366 2.374 20 0 FEADMM COC(=O)CCCc1nc(CSc2nc(C(F)F)cc(=O)[n-]2)no1 ZINC000289573207 552343230 /nfs/dbraw/zinc/34/32/30/552343230.db2.gz QOJJQNRAOYZJKO-UHFFFAOYSA-N -1 1 360.342 2.291 20 0 FEADMM C[C@@H]1C[C@H]1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289714083 552366377 /nfs/dbraw/zinc/36/63/77/552366377.db2.gz CLXWIVKVLLJPSL-BDAKNGLRSA-N -1 1 351.255 2.044 20 0 FEADMM COc1ccc(-c2nc([N-]C(=O)c3snnc3C3CC3)n[nH]2)c(OC)c1 ZINC000289756601 552373333 /nfs/dbraw/zinc/37/33/33/552373333.db2.gz LKFSESUUUXNPGI-UHFFFAOYSA-N -1 1 372.410 2.470 20 0 FEADMM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500575412 561577290 /nfs/dbraw/zinc/57/72/90/561577290.db2.gz HHUSIRUQQDAILI-GFCCVEGCSA-N -1 1 366.443 2.128 20 0 FEADMM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500575412 561577291 /nfs/dbraw/zinc/57/72/91/561577291.db2.gz HHUSIRUQQDAILI-GFCCVEGCSA-N -1 1 366.443 2.128 20 0 FEADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000290166777 552437329 /nfs/dbraw/zinc/43/73/29/552437329.db2.gz KIQZLRXAAPKVME-MJVIPROJSA-N -1 1 374.407 2.461 20 0 FEADMM O=C(c1ccsc1)N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000290411526 552475555 /nfs/dbraw/zinc/47/55/55/552475555.db2.gz QEHLGZRVUANBCW-UHFFFAOYSA-N -1 1 352.362 2.330 20 0 FEADMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000290431131 552477864 /nfs/dbraw/zinc/47/78/64/552477864.db2.gz ASBVVBRCXACWIS-UHFFFAOYSA-N -1 1 367.383 2.478 20 0 FEADMM CCOC(=O)c1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nc1 ZINC000290617318 552507525 /nfs/dbraw/zinc/50/75/25/552507525.db2.gz GBQKRLNUDLOENL-LLVKDONJSA-N -1 1 359.348 2.153 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)[C@@H](O)c2ccccc2)c(=O)[n-]1 ZINC000290747494 552530457 /nfs/dbraw/zinc/53/04/57/552530457.db2.gz YBSUBTPVEXOUQR-MLGOLLRUSA-N -1 1 361.467 2.383 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@](C)(OC)C2CC2)c1 ZINC000290961873 552569261 /nfs/dbraw/zinc/56/92/61/552569261.db2.gz NOIFUAHKSBVSOA-QGZVFWFLSA-N -1 1 370.471 2.176 20 0 FEADMM C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000291016596 552576655 /nfs/dbraw/zinc/57/66/55/552576655.db2.gz VBONQHATUORIDR-BXUZGUMPSA-N -1 1 369.259 2.090 20 0 FEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291045071 552580159 /nfs/dbraw/zinc/58/01/59/552580159.db2.gz LQIBWQKQRZSBRM-CYBMUJFWSA-N -1 1 367.405 2.372 20 0 FEADMM C[C@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccsc2S1(=O)=O ZINC000291506698 552631538 /nfs/dbraw/zinc/63/15/38/552631538.db2.gz IGQCVUATVUGMLF-ZANVPECISA-N -1 1 365.432 2.060 20 0 FEADMM COc1ccc(NC(=O)NCC2CC(F)(F)C2)cc1[N-]S(C)(=O)=O ZINC000291923379 552675093 /nfs/dbraw/zinc/67/50/93/552675093.db2.gz LHLHBMICSKEAHK-UHFFFAOYSA-N -1 1 363.386 2.234 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000291965407 552679475 /nfs/dbraw/zinc/67/94/75/552679475.db2.gz SDSIFAANNZRZTO-UHFFFAOYSA-N -1 1 355.391 2.486 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)c2c(C)noc2C)c1 ZINC000292177874 552701852 /nfs/dbraw/zinc/70/18/52/552701852.db2.gz JCXCKJMXKJQSKB-SECBINFHSA-N -1 1 367.427 2.037 20 0 FEADMM CCCc1nc(C)c(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])s1 ZINC000292367300 552720169 /nfs/dbraw/zinc/72/01/69/552720169.db2.gz XPNVVLDRIZRTEL-UHFFFAOYSA-N -1 1 369.468 2.270 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1ncc2ccccc21 ZINC000292615528 552743070 /nfs/dbraw/zinc/74/30/70/552743070.db2.gz TZVWUDNVPMYPBH-DGCLKSJQSA-N -1 1 368.359 2.094 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c(C(F)(F)F)n1 ZINC000293046483 552783840 /nfs/dbraw/zinc/78/38/40/552783840.db2.gz KFEIXADBNFMKEF-UHFFFAOYSA-N -1 1 369.315 2.238 20 0 FEADMM Cc1cccc(CCC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)n1 ZINC000293103213 552789158 /nfs/dbraw/zinc/78/91/58/552789158.db2.gz NZEZXKRUCWROPQ-UHFFFAOYSA-N -1 1 362.377 2.053 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000293728443 552851014 /nfs/dbraw/zinc/85/10/14/552851014.db2.gz AEXYKAOFXYOBNW-UHFFFAOYSA-N -1 1 373.478 2.379 20 0 FEADMM CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cccc([O-])c2Cl)cn1 ZINC000293955916 552870608 /nfs/dbraw/zinc/87/06/08/552870608.db2.gz PMGJTVGEXOLQMP-CQSZACIVSA-N -1 1 369.874 2.234 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000293995949 552873800 /nfs/dbraw/zinc/87/38/00/552873800.db2.gz OKYKAEUQZIOZEU-TXEJJXNPSA-N -1 1 372.425 2.106 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2)c1 ZINC000501820052 561606123 /nfs/dbraw/zinc/60/61/23/561606123.db2.gz JFKQDASCOONOGD-UHFFFAOYSA-N -1 1 362.407 2.024 20 0 FEADMM CC[C@@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000295902317 553073749 /nfs/dbraw/zinc/07/37/49/553073749.db2.gz XOPGFUZBFSEMBP-INIZCTEOSA-N -1 1 362.451 2.330 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1 ZINC000502345910 561616505 /nfs/dbraw/zinc/61/65/05/561616505.db2.gz MYBOFMRGBKVYOK-MRXNPFEDSA-N -1 1 360.435 2.315 20 0 FEADMM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1nc(-c2ccncc2)no1 ZINC000295937620 553078349 /nfs/dbraw/zinc/07/83/49/553078349.db2.gz KSBZAWWMYINCJN-GFCCVEGCSA-N -1 1 372.397 2.377 20 0 FEADMM C[C@@H](CN(C)C(=O)C(F)(F)c1ccccc1Br)c1nn[n-]n1 ZINC000295951476 553080345 /nfs/dbraw/zinc/08/03/45/553080345.db2.gz IRNZCVINZUSETK-QMMMGPOBSA-N -1 1 374.189 2.316 20 0 FEADMM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000296099308 553104355 /nfs/dbraw/zinc/10/43/55/553104355.db2.gz QWEQKSJKSFMBCT-KGLIPLIRSA-N -1 1 366.450 2.212 20 0 FEADMM O=C([N-]Cc1ncc(C(F)(F)F)cn1)C(F)(F)C1(O)CCCCC1 ZINC000296104489 553105446 /nfs/dbraw/zinc/10/54/46/553105446.db2.gz PUESNHPABJBXLD-UHFFFAOYSA-N -1 1 353.291 2.442 20 0 FEADMM Cc1nc([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n[nH]1 ZINC000502690720 561623558 /nfs/dbraw/zinc/62/35/58/561623558.db2.gz DFBRWOOEAHBKQJ-UHFFFAOYSA-N -1 1 355.255 2.104 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H](OC(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000296546649 553177527 /nfs/dbraw/zinc/17/75/27/553177527.db2.gz YFSZJRUPCMJKBU-NSHDSACASA-N -1 1 356.806 2.357 20 0 FEADMM O=C([N-]CC1CCN(C(=O)Nc2ccc3c(n2)CCC3)CC1)C(F)(F)F ZINC000296793205 553212322 /nfs/dbraw/zinc/21/23/22/553212322.db2.gz LOTOIUBCHFNWBS-UHFFFAOYSA-N -1 1 370.375 2.493 20 0 FEADMM CCOc1cc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1[O-] ZINC000298166986 553393242 /nfs/dbraw/zinc/39/32/42/553393242.db2.gz KHFPVRKGWOYLTM-NSHDSACASA-N -1 1 361.847 2.094 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C3CC3)cc2F)co1 ZINC000298215695 553399233 /nfs/dbraw/zinc/39/92/33/553399233.db2.gz FEJSBEXDTUUDTP-UHFFFAOYSA-N -1 1 352.387 2.134 20 0 FEADMM CCCc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)s1 ZINC000298639462 553452836 /nfs/dbraw/zinc/45/28/36/553452836.db2.gz HWXDIPLTQHNTTG-UHFFFAOYSA-N -1 1 372.447 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2OC)C2CC2)o1 ZINC000298967304 553496560 /nfs/dbraw/zinc/49/65/60/553496560.db2.gz KFEXZYNSNLGEMP-UHFFFAOYSA-N -1 1 364.423 2.001 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCCC2(C)C)o1 ZINC000504007663 561651826 /nfs/dbraw/zinc/65/18/26/561651826.db2.gz GQZNVARQQGXXPN-KRWDZBQOSA-N -1 1 372.487 2.027 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(C(=O)OC)c(C)c2)cc1C(=O)[O-] ZINC000504260053 561655126 /nfs/dbraw/zinc/65/51/26/561655126.db2.gz LFEQQYFMYLTBOC-UHFFFAOYSA-N -1 1 366.395 2.102 20 0 FEADMM C[C@H](Sc1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1)C(=O)[O-] ZINC000504679545 561661248 /nfs/dbraw/zinc/66/12/48/561661248.db2.gz AUNSMIJPVSEIDP-JTQLQIEISA-N -1 1 367.452 2.195 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000320337931 553764855 /nfs/dbraw/zinc/76/48/55/553764855.db2.gz NVWVKPNJBTXLST-UHFFFAOYSA-N -1 1 357.775 2.126 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](O)C3CC3)c2)c1 ZINC000505647313 561676314 /nfs/dbraw/zinc/67/63/14/561676314.db2.gz UFVDDKPCWLXCDK-GOSISDBHSA-N -1 1 374.462 2.297 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(OC)c1 ZINC000324901856 553773954 /nfs/dbraw/zinc/77/39/54/553773954.db2.gz VLGOKBKEXIKQIK-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000327480772 553789198 /nfs/dbraw/zinc/78/91/98/553789198.db2.gz JRDLSSZWNTVBLP-MRXNPFEDSA-N -1 1 371.499 2.284 20 0 FEADMM CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c1 ZINC000505731397 561678545 /nfs/dbraw/zinc/67/85/45/561678545.db2.gz MGWOTKCMJFMVNA-UHFFFAOYSA-N -1 1 363.391 2.225 20 0 FEADMM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1cnn([C@H]2CCOC2)c1 ZINC000329527443 553962429 /nfs/dbraw/zinc/96/24/29/553962429.db2.gz SBMSJPGJUVIAST-NSHDSACASA-N -1 1 367.393 2.388 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000506800753 561708899 /nfs/dbraw/zinc/70/88/99/561708899.db2.gz KKVTYARELRWKIP-UHFFFAOYSA-N -1 1 368.842 2.429 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@H](C)c2cccc(Br)c2)n1 ZINC000506909956 561711565 /nfs/dbraw/zinc/71/15/65/561711565.db2.gz MJDMDXKTNFLYDL-MRVPVSSYSA-N -1 1 373.228 2.494 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c(=O)[n-]1 ZINC000330583260 554141704 /nfs/dbraw/zinc/14/17/04/554141704.db2.gz RVQYDBWKKNEBRZ-GHMZBOCLSA-N -1 1 352.460 2.355 20 0 FEADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508394489 561761106 /nfs/dbraw/zinc/76/11/06/561761106.db2.gz MMGDXDXVFRPGOB-AWEZNQCLSA-N -1 1 353.422 2.344 20 0 FEADMM CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331069185 554209162 /nfs/dbraw/zinc/20/91/62/554209162.db2.gz RDXZQWURGPSEFC-ZWNOBZJWSA-N -1 1 364.464 2.006 20 0 FEADMM Cc1nc(CN2CCN(C(=O)c3c([O-])cc(Cl)cc3Cl)CC2)n[nH]1 ZINC000331233025 554234141 /nfs/dbraw/zinc/23/41/41/554234141.db2.gz JQSTXXFMDFLTCB-UHFFFAOYSA-N -1 1 370.240 2.084 20 0 FEADMM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331264690 554238559 /nfs/dbraw/zinc/23/85/59/554238559.db2.gz GLOWAORRMSOIIS-LURJTMIESA-N -1 1 362.698 2.459 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)[C@@H](C)C3)c2)c1 ZINC000509312014 561794737 /nfs/dbraw/zinc/79/47/37/561794737.db2.gz VESQKCPPZWKRLN-KSSFIOAISA-N -1 1 374.462 2.249 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3nc(C)oc3C)c2)n1 ZINC000509227696 561791310 /nfs/dbraw/zinc/79/13/10/561791310.db2.gz RGIAIKVHJQFALY-UHFFFAOYSA-N -1 1 369.381 2.183 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Cc3nn[nH]n3)cc2)c1 ZINC000509378393 561796999 /nfs/dbraw/zinc/79/69/99/561796999.db2.gz KOJGWGBRWLWSQV-UHFFFAOYSA-N -1 1 361.452 2.313 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC000509378507 561797034 /nfs/dbraw/zinc/79/70/34/561797034.db2.gz LNYSWMTXSPXHPU-UHFFFAOYSA-N -1 1 361.423 2.035 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000509388653 561797406 /nfs/dbraw/zinc/79/74/06/561797406.db2.gz ZDHJDOWBLGOBKG-MRVPVSSYSA-N -1 1 365.242 2.351 20 0 FEADMM Cc1noc([C@@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)n1 ZINC000332078292 554375290 /nfs/dbraw/zinc/37/52/90/554375290.db2.gz HJLJDTMZRCMISZ-SECBINFHSA-N -1 1 352.188 2.476 20 0 FEADMM CC1(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H](CO)O1 ZINC000332221423 554403820 /nfs/dbraw/zinc/40/38/20/554403820.db2.gz MNLOUSBYUMKOOI-NSHDSACASA-N -1 1 350.802 2.206 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(C1CC1)[C@H]1CCc2ccccc21 ZINC000509933263 561819078 /nfs/dbraw/zinc/81/90/78/561819078.db2.gz DWADSKRSEWVTEU-INIZCTEOSA-N -1 1 351.406 2.196 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cc(Cl)c1[O-] ZINC000332467652 554451568 /nfs/dbraw/zinc/45/15/68/554451568.db2.gz WNDLNDUGAHGOGW-FZMZJTMJSA-N -1 1 365.817 2.438 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc4c(c3)COC4)[nH]c21 ZINC000510255660 561829933 /nfs/dbraw/zinc/82/99/33/561829933.db2.gz ASPGQVAMIVTFGM-UHFFFAOYSA-N -1 1 373.390 2.181 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc3c2OCO3)o1 ZINC000510325383 561831514 /nfs/dbraw/zinc/83/15/14/561831514.db2.gz SJEOMHPTQDZQEM-LBPRGKRZSA-N -1 1 353.396 2.237 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCO[C@H](c2cncn2C)C1 ZINC000333003707 554557270 /nfs/dbraw/zinc/55/72/70/554557270.db2.gz KWFHEICAOWJZDC-JSGCOSHPSA-N -1 1 373.457 2.172 20 0 FEADMM C[C@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@@]2(CCOC2)O1 ZINC000333474399 554616637 /nfs/dbraw/zinc/61/66/37/554616637.db2.gz DSYCCSNPMJFIBY-IFXJQAMLSA-N -1 1 358.417 2.612 20 0 FEADMM O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccc(=NCc2ccccc2F)[n-]n1 ZINC000333542449 554622689 /nfs/dbraw/zinc/62/26/89/554622689.db2.gz OBWGNBLBEMVWPH-BPQIPLTHSA-N -1 1 372.444 2.594 20 0 FEADMM CC[C@@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@@]2(CCOC2)O1 ZINC000333603206 554626850 /nfs/dbraw/zinc/62/68/50/554626850.db2.gz WUFFZKSXNIDFFU-OXQOHEQNSA-N -1 1 372.444 3.002 20 0 FEADMM C[C@@H]1C(=O)N(Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)C(=O)N1C ZINC000348589715 554690191 /nfs/dbraw/zinc/69/01/91/554690191.db2.gz GGIFSMWQQHSFKO-CYBMUJFWSA-N -1 1 373.434 2.270 20 0 FEADMM CCCCNC(=O)Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000350230191 554770621 /nfs/dbraw/zinc/77/06/21/554770621.db2.gz MTNOKHRONFTFGP-UHFFFAOYSA-N -1 1 353.382 2.150 20 0 FEADMM C[C@@]1(c2cccc(-c3noc(-c4ccc([O-])cc4F)n3)c2)NC(=O)NC1=O ZINC000350573456 554798943 /nfs/dbraw/zinc/79/89/43/554798943.db2.gz GPPANJAPBGRKRW-SFHVURJKSA-N -1 1 368.324 2.303 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@@H]2CCOC[C@@H]2C)no1 ZINC000350594494 554800748 /nfs/dbraw/zinc/80/07/48/554800748.db2.gz MDWIAIFMKLAMFF-GARJFASQSA-N -1 1 357.457 2.311 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)co1 ZINC000350792765 554813716 /nfs/dbraw/zinc/81/37/16/554813716.db2.gz JIIQHCFPYJVOIE-UHFFFAOYSA-N -1 1 371.378 2.090 20 0 FEADMM O=S(=O)(NCc1nc(-c2ccc([O-])cc2F)no1)c1cccs1 ZINC000350816807 554815596 /nfs/dbraw/zinc/81/55/96/554815596.db2.gz JWYQTCGBUQSHGX-UHFFFAOYSA-N -1 1 355.372 2.121 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(C3(c4ccccc4F)CC3)no2)o1 ZINC000351275230 554848750 /nfs/dbraw/zinc/84/87/50/554848750.db2.gz SZHULOVKDFLNSN-UHFFFAOYSA-N -1 1 363.370 2.457 20 0 FEADMM O=C(CN1CCC(NC(=O)c2cccs2)CC1)[N-]OCc1ccccc1 ZINC000362344538 554965485 /nfs/dbraw/zinc/96/54/85/554965485.db2.gz ZHTVBFPTBGZDOX-UHFFFAOYSA-N -1 1 373.478 2.190 20 0 FEADMM Cn1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1=O ZINC000362889642 554996268 /nfs/dbraw/zinc/99/62/68/554996268.db2.gz UAKIOJUUENJYDH-UHFFFAOYSA-N -1 1 355.394 2.218 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1nnc(C(C)C)s1 ZINC000363005619 555008533 /nfs/dbraw/zinc/00/85/33/555008533.db2.gz IOHIOGAKFVMIKN-UHFFFAOYSA-N -1 1 370.438 2.296 20 0 FEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512013387 561889147 /nfs/dbraw/zinc/88/91/47/561889147.db2.gz ZZAHFXWNILJCNM-QFYYESIMSA-N -1 1 358.373 2.319 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCN2Cc2ccccn2)c1Br ZINC000616005969 555262644 /nfs/dbraw/zinc/26/26/44/555262644.db2.gz FRBSFVBWQZJMON-GFCCVEGCSA-N -1 1 364.247 2.479 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000364366763 555300047 /nfs/dbraw/zinc/30/00/47/555300047.db2.gz CNUNHFNIGNTJJF-NRFANRHFSA-N -1 1 363.417 2.133 20 0 FEADMM O=c1cc(CN2CCn3c(nnc3C(F)(F)F)C2)c2ccc([O-])cc2o1 ZINC000364427515 555311805 /nfs/dbraw/zinc/31/18/05/555311805.db2.gz IDKGIEXXYPVBLT-UHFFFAOYSA-N -1 1 366.299 2.125 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1cccc(O)c1 ZINC000364563928 555339730 /nfs/dbraw/zinc/33/97/30/555339730.db2.gz MPIAYNTZFNRWNG-UHFFFAOYSA-N -1 1 350.378 2.117 20 0 FEADMM CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000364796615 555404950 /nfs/dbraw/zinc/40/49/50/555404950.db2.gz IFQJVNIGMRYUNM-SWLSCSKDSA-N -1 1 353.378 2.439 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cccc(CO)c1 ZINC000365885319 555692587 /nfs/dbraw/zinc/69/25/87/555692587.db2.gz HSPLDBPUBOQIIF-AWEZNQCLSA-N -1 1 361.764 2.004 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1C(N)=O ZINC000513817611 561951189 /nfs/dbraw/zinc/95/11/89/561951189.db2.gz LGKQDHUEHMUWAR-UHFFFAOYSA-N -1 1 373.390 2.250 20 0 FEADMM Cc1ccc2c(c1)CN(C(=O)CNC(=O)c1ncccc1[O-])C(C)(C)C2 ZINC000513654686 561946033 /nfs/dbraw/zinc/94/60/33/561946033.db2.gz XCZOTGJZSVRTOO-UHFFFAOYSA-N -1 1 353.422 2.189 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCOc2c(C)cccc2C)c1 ZINC000513791453 561949809 /nfs/dbraw/zinc/94/98/09/561949809.db2.gz OZIPDVRTZWHKRK-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(CC)CC ZINC000513845838 561952322 /nfs/dbraw/zinc/95/23/22/561952322.db2.gz BNAMZEIEDPKSBT-OLZOCXBDSA-N -1 1 359.444 2.328 20 0 FEADMM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000366464763 555851410 /nfs/dbraw/zinc/85/14/10/555851410.db2.gz WCHMILURAWOCJZ-LBPRGKRZSA-N -1 1 352.369 2.071 20 0 FEADMM Cc1nc(-c2ccc(N3C[C@@H](C)O[C@]4(CCOC4)C3)nc2)[n-]c(=O)c1C ZINC000366546521 555872938 /nfs/dbraw/zinc/87/29/38/555872938.db2.gz VPVBMUYBGZSJGS-CWTRNNRKSA-N -1 1 356.426 2.245 20 0 FEADMM O=C(CCc1ccc(Br)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366710039 555915383 /nfs/dbraw/zinc/91/53/83/555915383.db2.gz MUEFKILTQNMAKD-LBPRGKRZSA-N -1 1 364.247 2.301 20 0 FEADMM CC(=O)Nc1cccc(-n2nnnc2SCC(=O)c2ccc([O-])cc2)c1 ZINC000514528376 561966788 /nfs/dbraw/zinc/96/67/88/561966788.db2.gz WVJCGGJVETUVPK-UHFFFAOYSA-N -1 1 369.406 2.301 20 0 FEADMM COc1ccc([C@@H](CNC(=O)CSCC(=O)[O-])N2CCCCC2)cc1 ZINC000514621748 561970385 /nfs/dbraw/zinc/97/03/85/561970385.db2.gz USRBZTBONDCROA-MRXNPFEDSA-N -1 1 366.483 2.156 20 0 FEADMM CO[C@@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)[C@@H](C(=O)[O-])C1 ZINC000514951207 561988756 /nfs/dbraw/zinc/98/87/56/561988756.db2.gz KTEGLPHDWKEMPI-ZWNOBZJWSA-N -1 1 368.231 2.389 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000367966415 556184512 /nfs/dbraw/zinc/18/45/12/556184512.db2.gz ZGCKXACRPBJBFK-AWEZNQCLSA-N -1 1 359.389 2.360 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000368494240 556326070 /nfs/dbraw/zinc/32/60/70/556326070.db2.gz YBEQVKWWMPDXNB-VQTJNVASSA-N -1 1 372.469 2.306 20 0 FEADMM CC(C)(C)OC(=O)CN(C(=O)c1ccc([O-])cc1F)C1CCOCC1 ZINC000515386124 562008595 /nfs/dbraw/zinc/00/85/95/562008595.db2.gz IHICMDSTKUDMJG-UHFFFAOYSA-N -1 1 353.390 2.494 20 0 FEADMM COc1ccc2c(c1)[nH]cc(C(=O)NCc1cccc(OC)c1OC)c2=O ZINC000515496599 562012999 /nfs/dbraw/zinc/01/29/99/562012999.db2.gz YENGYSUDPRKYQZ-UHFFFAOYSA-N -1 1 368.389 2.484 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](OCc4ccncc4)C3)cnc2n1 ZINC000369345404 556575096 /nfs/dbraw/zinc/57/50/96/556575096.db2.gz KWDQTXXUZJQHMI-HNNXBMFYSA-N -1 1 364.405 2.470 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](OCc3ccncc3)C1)c2=O ZINC000369345404 556575098 /nfs/dbraw/zinc/57/50/98/556575098.db2.gz KWDQTXXUZJQHMI-HNNXBMFYSA-N -1 1 364.405 2.470 20 0 FEADMM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1[O-] ZINC000369376533 556584540 /nfs/dbraw/zinc/58/45/40/556584540.db2.gz WQSFOFYUTXHQGR-NHYWBVRUSA-N -1 1 356.216 2.223 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCCO[C@H](C)C2)c([O-])c1 ZINC000369583317 556639069 /nfs/dbraw/zinc/63/90/69/556639069.db2.gz UBDJGHGSBMLNOK-LLVKDONJSA-N -1 1 359.382 2.192 20 0 FEADMM O=C(CCCc1csc2ccccc12)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370329461 556841035 /nfs/dbraw/zinc/84/10/35/556841035.db2.gz FCODYGOULYQYEG-CQSZACIVSA-N -1 1 357.439 2.337 20 0 FEADMM CCc1nc(SCC(=O)NC(=O)NCc2cccs2)[n-]c(=O)c1C ZINC000516878809 562062460 /nfs/dbraw/zinc/06/24/60/562062460.db2.gz XAZQWNLFSPPVGZ-UHFFFAOYSA-N -1 1 366.468 2.233 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1c2cccc(F)c2O[C@H]1C ZINC000370732822 556952092 /nfs/dbraw/zinc/95/20/92/556952092.db2.gz RKHGZQXPEMLBPT-VOJFVSQTSA-N -1 1 370.384 2.372 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1 ZINC000370734102 556952755 /nfs/dbraw/zinc/95/27/55/556952755.db2.gz YCLRMIPUUQOCDS-UHFFFAOYSA-N -1 1 360.395 2.290 20 0 FEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370857675 556993098 /nfs/dbraw/zinc/99/30/98/556993098.db2.gz PJOBIJODCQVZMF-CWSCBRNRSA-N -1 1 368.224 2.210 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)co1 ZINC000371052355 557059149 /nfs/dbraw/zinc/05/91/49/557059149.db2.gz CDVPVFFFTAMILT-HUUCEWRRSA-N -1 1 366.414 2.393 20 0 FEADMM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000517205631 562079308 /nfs/dbraw/zinc/07/93/08/562079308.db2.gz XVZDKPSBQBZZNW-HNNXBMFYSA-N -1 1 369.381 2.138 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCC3=O)ccc1F ZINC000371590627 557232131 /nfs/dbraw/zinc/23/21/31/557232131.db2.gz ZLIPOVVZPZYMGG-UHFFFAOYSA-N -1 1 365.338 2.290 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)o1 ZINC000518088780 562104159 /nfs/dbraw/zinc/10/41/59/562104159.db2.gz DZRYUYOKFDTVTK-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM COc1ccc(C(=O)CC(C)(C)C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000371602247 557235916 /nfs/dbraw/zinc/23/59/16/557235916.db2.gz PBIJXKPEBWCIIF-CQSZACIVSA-N -1 1 371.441 2.214 20 0 FEADMM CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H]1CCOC1 ZINC000517817305 562098597 /nfs/dbraw/zinc/09/85/97/562098597.db2.gz KOIKPFMRAXQGBH-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cccc(-n2cnnn2)c1 ZINC000517894017 562100142 /nfs/dbraw/zinc/10/01/42/562100142.db2.gz DUVXKUJPAQGQTA-UHFFFAOYSA-N -1 1 367.337 2.065 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000371722181 557274701 /nfs/dbraw/zinc/27/47/01/557274701.db2.gz DFOSPLJQAJRGER-DZGCQCFKSA-N -1 1 370.453 2.004 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000371874216 557316852 /nfs/dbraw/zinc/31/68/52/557316852.db2.gz ZYGWEAAQZUKHPA-UVBJJODRSA-N -1 1 368.359 2.394 20 0 FEADMM O=S(=O)(Cc1ccccc1F)[N-]c1cnn(-c2ncccc2F)c1 ZINC000371989677 557348210 /nfs/dbraw/zinc/34/82/10/557348210.db2.gz CLRFMQOJTVSDDA-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000518542048 562114010 /nfs/dbraw/zinc/11/40/10/562114010.db2.gz ILMIEKOSXGPNTL-KRWDZBQOSA-N -1 1 363.458 2.132 20 0 FEADMM COc1cc(F)c(S(=O)(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000518622203 562115452 /nfs/dbraw/zinc/11/54/52/562115452.db2.gz JQPPHWJOPCETLF-BETUJISGSA-N -1 1 374.478 2.384 20 0 FEADMM O=C(CCc1ccccc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372158170 557395377 /nfs/dbraw/zinc/39/53/77/557395377.db2.gz TUAIYMMCMHRRTH-GFCCVEGCSA-N -1 1 364.247 2.301 20 0 FEADMM CSc1n[nH]c(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)n1 ZINC000519096556 562124774 /nfs/dbraw/zinc/12/47/74/562124774.db2.gz MVXSQBOSSAHZSO-MRVPVSSYSA-N -1 1 369.447 2.365 20 0 FEADMM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N(C)C)s1 ZINC000372517700 557490536 /nfs/dbraw/zinc/49/05/36/557490536.db2.gz WAFOTGHTQQXZGQ-CQSZACIVSA-N -1 1 371.470 2.661 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1 ZINC000519491288 562132816 /nfs/dbraw/zinc/13/28/16/562132816.db2.gz LFLFHWCJEKQOGD-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(-c2cnn(C)c2)nn1C ZINC000373149679 557638867 /nfs/dbraw/zinc/63/88/67/557638867.db2.gz HHSZICBAYBDGMS-UHFFFAOYSA-N -1 1 369.429 2.174 20 0 FEADMM Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1Br ZINC000373262257 557660929 /nfs/dbraw/zinc/66/09/29/557660929.db2.gz VAXYOJNTXZTOER-SECBINFHSA-N -1 1 368.210 2.430 20 0 FEADMM COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C2 ZINC000374650377 557912259 /nfs/dbraw/zinc/91/22/59/557912259.db2.gz XKQKIPMMXIUOBJ-CWTRNNRKSA-N -1 1 361.442 2.203 20 0 FEADMM CS(=O)(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000374808935 557934666 /nfs/dbraw/zinc/93/46/66/557934666.db2.gz SKELXMBPURYYDC-LBPRGKRZSA-N -1 1 363.443 2.193 20 0 FEADMM O=C(Nc1ccc2n[nH]cc2c1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000375010918 557963731 /nfs/dbraw/zinc/96/37/31/557963731.db2.gz NGUQSRZUYSSHAP-UHFFFAOYSA-N -1 1 365.324 2.003 20 0 FEADMM CO[C@H](C)c1nsc(=N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)[n-]1 ZINC000375695249 558068792 /nfs/dbraw/zinc/06/87/92/558068792.db2.gz AUAYRCYFHDWVHQ-ZYHUDNBSSA-N -1 1 364.475 2.004 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000376221325 558143706 /nfs/dbraw/zinc/14/37/06/558143706.db2.gz UGXBHJJVWYETBU-JSGCOSHPSA-N -1 1 356.216 2.175 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CSC[C@H]1C ZINC000376404101 558168994 /nfs/dbraw/zinc/16/89/94/558168994.db2.gz UQYQRNOQJSHRMG-IAQYHMDHSA-N -1 1 358.467 2.353 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC[C@@H]2[C@H]3COC[C@H]32)c1)OCC(F)(F)F ZINC000376438071 558173166 /nfs/dbraw/zinc/17/31/66/558173166.db2.gz XJKNFDNJBCEVSR-CNDDSTCGSA-N -1 1 374.315 2.125 20 0 FEADMM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000376475426 558178203 /nfs/dbraw/zinc/17/82/03/558178203.db2.gz UEMDACQHFKSXKC-UONOGXRCSA-N -1 1 366.389 2.041 20 0 FEADMM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)/N=c1\ccnc2n(C)[n-]cc1-2 ZINC000376602750 558196351 /nfs/dbraw/zinc/19/63/51/558196351.db2.gz RYIWMAQYAYVUTE-NLDSZUHOSA-N -1 1 365.441 2.018 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)ccnc1-2 ZINC000376607426 558196981 /nfs/dbraw/zinc/19/69/81/558196981.db2.gz XHPLWYOLYJEDDR-VBHMAFOESA-N -1 1 373.363 2.225 20 0 FEADMM Nc1nc(C2CC2)ncc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376618338 558198598 /nfs/dbraw/zinc/19/85/98/558198598.db2.gz MZPAGKXKAASAQA-UHFFFAOYSA-N -1 1 366.421 2.377 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000376816282 558225196 /nfs/dbraw/zinc/22/51/96/558225196.db2.gz OETATJCXVPIFKS-UHFFFAOYSA-N -1 1 358.379 2.059 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)o1 ZINC000377101907 558266557 /nfs/dbraw/zinc/26/65/57/558266557.db2.gz VTXMZJLXZVHHGO-ZDUSSCGKSA-N -1 1 354.453 2.473 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1CCC2(CCOCC2)CC1 ZINC000377193763 558285388 /nfs/dbraw/zinc/28/53/88/558285388.db2.gz DUJXXZMAOVEKLX-UHFFFAOYSA-N -1 1 372.469 2.450 20 0 FEADMM COc1cc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1O ZINC000377201709 558287254 /nfs/dbraw/zinc/28/72/54/558287254.db2.gz OEBDGLKOQNTQFW-UHFFFAOYSA-N -1 1 366.377 2.036 20 0 FEADMM CC(C)[C@@H](CNC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ccccc1 ZINC000377586243 558371440 /nfs/dbraw/zinc/37/14/40/558371440.db2.gz TUODVXJBLBUBJZ-QGZVFWFLSA-N -1 1 371.485 2.246 20 0 FEADMM Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(C)n1C1CCCCC1 ZINC000377595919 558373749 /nfs/dbraw/zinc/37/37/49/558373749.db2.gz SNTOWBLKMCNSQJ-INIZCTEOSA-N -1 1 358.446 2.337 20 0 FEADMM C[N@H+]1CCC[C@@H](CNC(=O)N=c2[n-]nc3ccccn32)[C@H]1c1cccs1 ZINC000377910791 558446208 /nfs/dbraw/zinc/44/62/08/558446208.db2.gz KKMMLQDUCURMGJ-BBRMVZONSA-N -1 1 370.482 2.995 20 0 FEADMM CC(C)(C)OC(=O)C1(NC(=O)c2nc3ccccc3c(=O)[n-]2)CCCC1 ZINC000522840330 562204645 /nfs/dbraw/zinc/20/46/45/562204645.db2.gz DQRMCXFDIZIBQD-UHFFFAOYSA-N -1 1 357.410 2.307 20 0 FEADMM O=C(N[C@@H]1CC12CCOCC2)c1ccc(I)c([O-])c1 ZINC000386849575 558607517 /nfs/dbraw/zinc/60/75/17/558607517.db2.gz AORHWIYNOGGYJP-GFCCVEGCSA-N -1 1 373.190 2.296 20 0 FEADMM O=C(N=c1[n-]nc2ccccn21)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000378520961 558574302 /nfs/dbraw/zinc/57/43/02/558574302.db2.gz OEUMSUBJADPVIO-AWEZNQCLSA-N -1 1 374.408 2.883 20 0 FEADMM O=C(N=c1[n-]nc2ccccn21)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000378520961 558574303 /nfs/dbraw/zinc/57/43/03/558574303.db2.gz OEUMSUBJADPVIO-AWEZNQCLSA-N -1 1 374.408 2.883 20 0 FEADMM C[C@H](CC(C)(C)O)NC(=O)c1ccc(I)c([O-])c1 ZINC000385069845 558605742 /nfs/dbraw/zinc/60/57/42/558605742.db2.gz VPYQXQXITYHWCN-MRVPVSSYSA-N -1 1 363.195 2.276 20 0 FEADMM C[C@@H]1OCCN(C(=O)c2ccc(I)c([O-])c2)[C@H]1C ZINC000380386644 558603231 /nfs/dbraw/zinc/60/32/31/558603231.db2.gz SGGNAVQZLYSGES-IUCAKERBSA-N -1 1 361.179 2.246 20 0 FEADMM O=C(N[C@H]1CC12CCOCC2)c1ccc(I)c([O-])c1 ZINC000386849606 558607653 /nfs/dbraw/zinc/60/76/53/558607653.db2.gz AORHWIYNOGGYJP-LBPRGKRZSA-N -1 1 373.190 2.296 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1csnn1 ZINC000398278811 558625960 /nfs/dbraw/zinc/62/59/60/558625960.db2.gz UOPGIXRNINLYHL-RXMQYKEDSA-N -1 1 354.276 2.402 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc(Cl)c1[O-] ZINC000408064647 558642782 /nfs/dbraw/zinc/64/27/82/558642782.db2.gz LWZYJBDFUUTQIP-BPLDGKMQSA-N -1 1 369.845 2.446 20 0 FEADMM C[C@]1([N-]S(=O)(=O)c2ccc(Br)o2)CCO[C@H]1C1CC1 ZINC000408214826 558657111 /nfs/dbraw/zinc/65/71/11/558657111.db2.gz MRTLNLXVWBZXKT-RYUDHWBXSA-N -1 1 350.234 2.278 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@H](N4CCCC4=O)C3)nc2)[n-]c(=O)c1C ZINC000524687742 562232282 /nfs/dbraw/zinc/23/22/82/562232282.db2.gz VMDOBXCTFNDBRV-INIZCTEOSA-N -1 1 367.453 2.452 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC2(C1)CCOCC2 ZINC000524715148 562232805 /nfs/dbraw/zinc/23/28/05/562232805.db2.gz SOLLGFXVMSQGAW-UHFFFAOYSA-N -1 1 368.437 2.124 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000410282853 558749666 /nfs/dbraw/zinc/74/96/66/558749666.db2.gz PPGHLRHCXIRLJP-ZDUSSCGKSA-N -1 1 358.442 2.916 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N3CC[C@@H](C)C3)c2)n1 ZINC000410427511 558756651 /nfs/dbraw/zinc/75/66/51/558756651.db2.gz PIXCKSOCAFRSGM-GFCCVEGCSA-N -1 1 357.414 2.200 20 0 FEADMM COc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1OC ZINC000524833221 562235653 /nfs/dbraw/zinc/23/56/53/562235653.db2.gz DOWBYLUEEHJTBO-UHFFFAOYSA-N -1 1 356.338 2.014 20 0 FEADMM COCC(C)(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000411196319 558851796 /nfs/dbraw/zinc/85/17/96/558851796.db2.gz DLADEZULVWRPCG-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@@H]1CCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000528494870 562332349 /nfs/dbraw/zinc/33/23/49/562332349.db2.gz XYBLTKSXXLSVMP-QWRGUYRKSA-N -1 1 373.780 2.177 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412681208 559050378 /nfs/dbraw/zinc/05/03/78/559050378.db2.gz UMJZIUILWWAAKU-MRXNPFEDSA-N -1 1 365.433 2.313 20 0 FEADMM CNC(=O)NC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000412854390 559059346 /nfs/dbraw/zinc/05/93/46/559059346.db2.gz UAPCQXWHQKRAMW-UHFFFAOYSA-N -1 1 362.817 2.127 20 0 FEADMM COC(=O)[C@@H]1CSCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000412954950 559066872 /nfs/dbraw/zinc/06/68/72/559066872.db2.gz QLTUNOCMHDLRQU-JTQLQIEISA-N -1 1 374.256 2.133 20 0 FEADMM CCNC(=O)c1ccc(=NCC(C)(C)c2ccc(OC)c(OC)c2)[n-]n1 ZINC000413127540 559081026 /nfs/dbraw/zinc/08/10/26/559081026.db2.gz MKCUPAXCPBFZQQ-UHFFFAOYSA-N -1 1 358.442 2.633 20 0 FEADMM COc1cc(NC(=O)C[C@@H]2CCC(=O)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000526981393 562271734 /nfs/dbraw/zinc/27/17/34/562271734.db2.gz GIJVIAXPOMRICY-QWRGUYRKSA-N -1 1 354.428 2.011 20 0 FEADMM CC(C)CNC(=O)CCCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000414206455 559153035 /nfs/dbraw/zinc/15/30/35/559153035.db2.gz FCVHNKYHNLIUTE-UHFFFAOYSA-N -1 1 370.519 2.254 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2[nH]nc(C)c2Br)s1 ZINC000414471049 559166956 /nfs/dbraw/zinc/16/69/56/559166956.db2.gz NRDAJKORUBKDHH-UHFFFAOYSA-N -1 1 351.251 2.300 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(Br)cc2)C1=O ZINC000414652503 559177428 /nfs/dbraw/zinc/17/74/28/559177428.db2.gz HDXIUKSTHPEQIR-ZIAGYGMSSA-N -1 1 369.259 2.249 20 0 FEADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1=O ZINC000414656651 559177527 /nfs/dbraw/zinc/17/75/27/559177527.db2.gz KVXFGUQAGLHHJQ-SJORKVTESA-N -1 1 360.360 2.481 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2cc(O)cc(C(F)(F)F)c2)C1=O ZINC000414668813 559178577 /nfs/dbraw/zinc/17/85/77/559178577.db2.gz XQKSLCFKEIBGAS-KGLIPLIRSA-N -1 1 374.359 2.211 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cc(OC)cc(Cl)c1F ZINC000415382500 559229494 /nfs/dbraw/zinc/22/94/94/559229494.db2.gz PPGDNVJYZPAKDK-UHFFFAOYSA-N -1 1 355.753 2.650 20 0 FEADMM CCc1oc2ccccc2c1CN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416119478 559292517 /nfs/dbraw/zinc/29/25/17/559292517.db2.gz BPEOYKPQECZYDW-UHFFFAOYSA-N -1 1 357.366 2.477 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000416128201 559293210 /nfs/dbraw/zinc/29/32/10/559293210.db2.gz GBWNKCDCBIZMSH-UHFFFAOYSA-N -1 1 359.357 2.355 20 0 FEADMM CO[C@H](CC(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000416181080 559296772 /nfs/dbraw/zinc/29/67/72/559296772.db2.gz RAEGXISYNBUMSK-MRXNPFEDSA-N -1 1 370.471 2.176 20 0 FEADMM COCCCC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccccc1 ZINC000416215063 559298862 /nfs/dbraw/zinc/29/88/62/559298862.db2.gz FMMOJECNNXVXES-ZDUSSCGKSA-N -1 1 361.398 2.184 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000416225554 559299611 /nfs/dbraw/zinc/29/96/11/559299611.db2.gz LFIYGVRHXHNKCJ-KRWDZBQOSA-N -1 1 365.336 2.055 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C)Sc3nncn3C)[nH][n-]2)c1 ZINC000416251979 559301322 /nfs/dbraw/zinc/30/13/22/559301322.db2.gz MNNKZSOAOSGPDL-SNVBAGLBSA-N -1 1 360.418 2.772 20 0 FEADMM Cc1ncc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000416551181 559321211 /nfs/dbraw/zinc/32/12/11/559321211.db2.gz SLRXQMXXUHOSSZ-UHFFFAOYSA-N -1 1 354.281 2.499 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2CS[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000416815535 559333586 /nfs/dbraw/zinc/33/35/86/559333586.db2.gz HWSGFUOXMLQCCU-KOLCDFICSA-N -1 1 359.473 2.082 20 0 FEADMM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)nn1CC(F)(F)F ZINC000417069153 559346513 /nfs/dbraw/zinc/34/65/13/559346513.db2.gz FKAURSWZKPBPBA-UHFFFAOYSA-N -1 1 355.242 2.880 20 0 FEADMM CN(C)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)[nH]1 ZINC000417568909 559367172 /nfs/dbraw/zinc/36/71/72/559367172.db2.gz ULBSVGRFRPDVNO-AWEZNQCLSA-N -1 1 353.781 2.425 20 0 FEADMM COCCn1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000417592020 559368472 /nfs/dbraw/zinc/36/84/72/559368472.db2.gz YKDWXYLJSNAXCS-AWEZNQCLSA-N -1 1 368.231 2.208 20 0 FEADMM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1OC ZINC000417602082 559369039 /nfs/dbraw/zinc/36/90/39/559369039.db2.gz UIJCDTIQCJUXJI-AWEZNQCLSA-N -1 1 353.806 2.396 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C)OC ZINC000420657633 559495797 /nfs/dbraw/zinc/49/57/97/559495797.db2.gz AVUQKOSJXNFDMA-ZIAGYGMSSA-N -1 1 368.459 2.173 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](C)CC)c(F)c1 ZINC000420703707 559499356 /nfs/dbraw/zinc/49/93/56/559499356.db2.gz HSOSFYKYXWIHHW-NSHDSACASA-N -1 1 366.480 2.302 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)F)cc1)OC ZINC000421159817 559527625 /nfs/dbraw/zinc/52/76/25/559527625.db2.gz XEZWLTMDKYKAIL-LBPRGKRZSA-N -1 1 368.377 2.145 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Br)c[nH]c1=O ZINC000421168609 559528372 /nfs/dbraw/zinc/52/83/72/559528372.db2.gz YPLSQCFJMFUBLX-SNVBAGLBSA-N -1 1 367.265 2.353 20 0 FEADMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000421234835 559532834 /nfs/dbraw/zinc/53/28/34/559532834.db2.gz GCJDCSCACHSQND-OLZOCXBDSA-N -1 1 371.437 2.363 20 0 FEADMM C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000422019777 559561074 /nfs/dbraw/zinc/56/10/74/559561074.db2.gz TXXBFBZNFYFGDA-RHSMWYFYSA-N -1 1 374.462 2.473 20 0 FEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@](C)(N)c2ccc(Br)cc2)C1 ZINC000422546367 559594180 /nfs/dbraw/zinc/59/41/80/559594180.db2.gz ZPMUOYIRBXPIIB-OHUAYANFSA-N -1 1 369.259 2.192 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@](C)(N)c2ccc(Br)cc2)C1 ZINC000422546366 559594270 /nfs/dbraw/zinc/59/42/70/559594270.db2.gz ZPMUOYIRBXPIIB-GLKRBJQHSA-N -1 1 369.259 2.192 20 0 FEADMM Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)CCOCC2CC2)n1 ZINC000424065514 559653377 /nfs/dbraw/zinc/65/33/77/559653377.db2.gz QAUWHQUJZSYXCB-UHFFFAOYSA-N -1 1 350.444 2.052 20 0 FEADMM Cc1nc(=NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)[n-][nH]1 ZINC000424650138 559672316 /nfs/dbraw/zinc/67/23/16/559672316.db2.gz UGCDFYPIPCCZDI-UHFFFAOYSA-N -1 1 360.780 2.832 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c(F)c1 ZINC000425144317 559688533 /nfs/dbraw/zinc/68/85/33/559688533.db2.gz QUMRYLQYMMEIKW-UHFFFAOYSA-N -1 1 356.398 2.070 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)Cc2ccc(F)cc2)c(F)c1 ZINC000425173180 559689465 /nfs/dbraw/zinc/68/94/65/559689465.db2.gz VOVJNWZBHLHWPV-ZDUSSCGKSA-N -1 1 359.369 2.294 20 0 FEADMM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC000425190386 559690194 /nfs/dbraw/zinc/69/01/94/559690194.db2.gz VHNNVFBZBVMGDE-CYBMUJFWSA-N -1 1 371.405 2.336 20 0 FEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2sc(C)nc2C)s1 ZINC000425201823 559690932 /nfs/dbraw/zinc/69/09/32/559690932.db2.gz KEAAYZYBFQTLJQ-ZCFIWIBFSA-N -1 1 361.470 2.043 20 0 FEADMM C[C@@H]1CCN(c2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)ccn2)C1 ZINC000425304257 559695697 /nfs/dbraw/zinc/69/56/97/559695697.db2.gz PWLFFINXEMOLRA-OCCSQVGLSA-N -1 1 357.414 2.036 20 0 FEADMM O=C(c1cc(Cc2ccccc2)n[nH]1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425313031 559696184 /nfs/dbraw/zinc/69/61/84/559696184.db2.gz ZXKHQOHARNGLSY-CYBMUJFWSA-N -1 1 353.382 2.109 20 0 FEADMM CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cn1 ZINC000425318477 559696548 /nfs/dbraw/zinc/69/65/48/559696548.db2.gz IEROPUIQHBVKHF-UHFFFAOYSA-N -1 1 373.413 2.175 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N=c3ccn(CCC(F)(F)F)[nH]3)cnc2n1 ZINC000425325451 559696769 /nfs/dbraw/zinc/69/67/69/559696769.db2.gz OEGXCAQYWJYSAP-UHFFFAOYSA-N -1 1 365.315 3.045 20 0 FEADMM CC(C)C(=O)Nc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000425325729 559696850 /nfs/dbraw/zinc/69/68/50/559696850.db2.gz SLUHZNURLHMCLQ-UHFFFAOYSA-N -1 1 358.398 2.390 20 0 FEADMM Cc1onc(-c2ccncc2)c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425327698 559697033 /nfs/dbraw/zinc/69/70/33/559697033.db2.gz WHRMGGYVCPZGKH-UHFFFAOYSA-N -1 1 355.354 2.153 20 0 FEADMM N=c1nc(N2CCN(C(=O)NCCCCCc3ccccc3)CC2)s[n-]1 ZINC000425953243 559725971 /nfs/dbraw/zinc/72/59/71/559725971.db2.gz JQJBEADOOBSHCW-UHFFFAOYSA-N -1 1 374.514 2.365 20 0 FEADMM Cc1cccc(CN(C)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000426297102 559732410 /nfs/dbraw/zinc/73/24/10/559732410.db2.gz WWDHVLAKCXUBBX-UHFFFAOYSA-N -1 1 363.421 2.045 20 0 FEADMM COC1CCC(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000427040633 559746275 /nfs/dbraw/zinc/74/62/75/559746275.db2.gz KILGDFSMQICUOO-UHFFFAOYSA-N -1 1 372.487 2.291 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn(CC(C)C)c2)CCCCC1 ZINC000427259163 559751565 /nfs/dbraw/zinc/75/15/65/559751565.db2.gz FDJFYMLJNITAJN-UHFFFAOYSA-N -1 1 357.476 2.404 20 0 FEADMM COc1cc(NC(=O)c2ncccc2Cl)ccc1[N-]S(C)(=O)=O ZINC000428123460 559770105 /nfs/dbraw/zinc/77/01/05/559770105.db2.gz WGXYDOJINKBUMS-UHFFFAOYSA-N -1 1 355.803 2.367 20 0 FEADMM COC(=O)c1cnccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000430045727 559811774 /nfs/dbraw/zinc/81/17/74/559811774.db2.gz LGBCSQWANBDXRO-UHFFFAOYSA-N -1 1 358.778 2.025 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000431179113 559835450 /nfs/dbraw/zinc/83/54/50/559835450.db2.gz LWPLQCREQDBEKB-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM CCC[C@H](C)C(=O)NCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000431496210 559840312 /nfs/dbraw/zinc/84/03/12/559840312.db2.gz MMSZULMURLWNCN-LBPRGKRZSA-N -1 1 357.458 2.825 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(CO)(c2ccccc2)CC1 ZINC000431705396 559844454 /nfs/dbraw/zinc/84/44/54/559844454.db2.gz AAXLMMJODYWWAL-UHFFFAOYSA-N -1 1 363.417 2.089 20 0 FEADMM NC(=O)c1csc(=N[C@H]2CCN(c3ccc(Br)cc3)C2)[n-]1 ZINC000432341459 559856862 /nfs/dbraw/zinc/85/68/62/559856862.db2.gz XSTDPMAXQRPFPI-JTQLQIEISA-N -1 1 367.272 2.695 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N[C@@H](C)Cc2c(F)cccc2F)n1 ZINC000432662821 559862720 /nfs/dbraw/zinc/86/27/20/559862720.db2.gz BETPOFIMJIZBPN-VIFPVBQESA-N -1 1 369.393 2.314 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N(C)CCOC)nc2)[n-]c1=O ZINC000432702782 559863197 /nfs/dbraw/zinc/86/31/97/559863197.db2.gz AEIQQZMCBJKENA-RAXLEYEMSA-N -1 1 372.425 2.397 20 0 FEADMM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nnc[nH]2)cc1 ZINC000432761356 559864093 /nfs/dbraw/zinc/86/40/93/559864093.db2.gz SJZGKARXHRHZOJ-UHFFFAOYSA-N -1 1 361.402 2.478 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CN1C1CC1 ZINC000435442376 559923211 /nfs/dbraw/zinc/92/32/11/559923211.db2.gz KVDOLYGLIDTXGW-QMMMGPOBSA-N -1 1 367.229 2.174 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC000435468518 559923814 /nfs/dbraw/zinc/92/38/14/559923814.db2.gz PDEDNUXKVSIMAY-UHFFFAOYSA-N -1 1 354.472 2.094 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000435597710 559925888 /nfs/dbraw/zinc/92/58/88/559925888.db2.gz NLGBLLCMNYFSBJ-UMSPYCQHSA-N -1 1 353.371 2.430 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C(F)F)c1cc(Br)sc1Cl ZINC000435639681 559927136 /nfs/dbraw/zinc/92/71/36/559927136.db2.gz XGXGIULEORURJR-GSVOUGTGSA-N -1 1 370.624 2.068 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)c1 ZINC000436502241 559943510 /nfs/dbraw/zinc/94/35/10/559943510.db2.gz COTCGUOOPIZXIF-OAHLLOKOSA-N -1 1 356.378 2.385 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)c1 ZINC000436503071 559943516 /nfs/dbraw/zinc/94/35/16/559943516.db2.gz FMANVMFRXBCLPP-AWEZNQCLSA-N -1 1 371.393 2.225 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C2CCC(NC(=O)C3CC3)CC2)c1 ZINC000436515126 559943931 /nfs/dbraw/zinc/94/39/31/559943931.db2.gz RIVMEXVTUXTQHF-UHFFFAOYSA-N -1 1 360.410 2.202 20 0 FEADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1c([O-])cccc1F ZINC000436512194 559943944 /nfs/dbraw/zinc/94/39/44/559943944.db2.gz JXXCSAOMJIHFAZ-YCPHGPKFSA-N -1 1 354.381 2.418 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(OCC(F)F)nc2)c1 ZINC000436520707 559944135 /nfs/dbraw/zinc/94/41/35/559944135.db2.gz XGAQMQXHCYCYDV-UHFFFAOYSA-N -1 1 352.293 2.470 20 0 FEADMM COc1ccc(NC(=O)c2ccccc2[O-])cc1S(=O)(=O)NC1CC1 ZINC000436528126 559944262 /nfs/dbraw/zinc/94/42/62/559944262.db2.gz KFAZQGHWHOAGSY-UHFFFAOYSA-N -1 1 362.407 2.094 20 0 FEADMM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc(F)cc(Br)c1[O-] ZINC000436597479 559946244 /nfs/dbraw/zinc/94/62/44/559946244.db2.gz VOHSLZKDEUAMOF-MRVPVSSYSA-N -1 1 354.179 2.304 20 0 FEADMM CC(C)C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)Nc1nccs1 ZINC000436708691 559949633 /nfs/dbraw/zinc/94/96/33/559949633.db2.gz SWLACDFIIQBMSO-CYBMUJFWSA-N -1 1 361.423 2.201 20 0 FEADMM O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)C(=O)c1ccc([O-])cc1 ZINC000436714560 559949761 /nfs/dbraw/zinc/94/97/61/559949761.db2.gz MPTVPNCHWMJBJZ-UHFFFAOYSA-N -1 1 356.309 2.006 20 0 FEADMM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000436715335 559949790 /nfs/dbraw/zinc/94/97/90/559949790.db2.gz KRDBQNNHYJHGQO-LBPRGKRZSA-N -1 1 366.414 2.018 20 0 FEADMM COC(=O)c1cccc([N-]C(=O)c2noc(-c3cccc(OC)c3)n2)c1O ZINC000436807313 559952779 /nfs/dbraw/zinc/95/27/79/559952779.db2.gz XJXUXHSVMJYJBI-UHFFFAOYSA-N -1 1 369.333 2.490 20 0 FEADMM Cc1nnc2n1C[C@H](CNC(=O)c1cc(Br)ccc1[O-])CC2 ZINC000436824259 559953204 /nfs/dbraw/zinc/95/32/04/559953204.db2.gz AIBHMKRZNWPUFT-JTQLQIEISA-N -1 1 365.231 2.047 20 0 FEADMM CCn1nccc1CN(CCO)C(=O)c1cc(Br)ccc1[O-] ZINC000436886185 559955299 /nfs/dbraw/zinc/95/52/99/559955299.db2.gz GCGMYWXDCUHDLZ-UHFFFAOYSA-N -1 1 368.231 2.006 20 0 FEADMM O=C(NCc1nc2cc(Br)cnc2[nH]1)c1c([O-])cccc1F ZINC000436981938 559958246 /nfs/dbraw/zinc/95/82/46/559958246.db2.gz RVKHOKTXQINPLC-UHFFFAOYSA-N -1 1 365.162 2.495 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CCCC[C@@H]2OC)ccc1[N-]S(C)(=O)=O ZINC000438046518 559973372 /nfs/dbraw/zinc/97/33/72/559973372.db2.gz DBBLPFULVNSREQ-JSGCOSHPSA-N -1 1 371.459 2.146 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cn1C ZINC000439575856 559997165 /nfs/dbraw/zinc/99/71/65/559997165.db2.gz YINOGIWFKPSUIV-LLVKDONJSA-N -1 1 364.423 2.326 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(F)c1 ZINC000439580458 559997196 /nfs/dbraw/zinc/99/71/96/559997196.db2.gz JSYLUPKXHIIRCO-UHFFFAOYSA-N -1 1 351.384 2.335 20 0 FEADMM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000439622965 559998153 /nfs/dbraw/zinc/99/81/53/559998153.db2.gz HRIKEIQJPCOUTE-UHFFFAOYSA-N -1 1 373.390 2.411 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1CCCC(=O)N1 ZINC000442288489 560048039 /nfs/dbraw/zinc/04/80/39/560048039.db2.gz DDPGKXCEONRGOK-MRXNPFEDSA-N -1 1 373.434 2.095 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1 ZINC000442622654 560053740 /nfs/dbraw/zinc/05/37/40/560053740.db2.gz CRIYYFQJMIMLNH-UHFFFAOYSA-N -1 1 358.423 2.076 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000442766400 560056479 /nfs/dbraw/zinc/05/64/79/560056479.db2.gz JQZNEBSCXANDMR-APPZFPTMSA-N -1 1 366.283 2.081 20 0 FEADMM COC(=O)C1(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCSCC1 ZINC000442993453 560065270 /nfs/dbraw/zinc/06/52/70/560065270.db2.gz YHQDDJLCKUBFCD-UHFFFAOYSA-N -1 1 359.831 2.223 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)c1cc(C)cc(C)c1 ZINC000443062075 560068585 /nfs/dbraw/zinc/06/85/85/560068585.db2.gz AEWOIOAUZNTIDU-LBPRGKRZSA-N -1 1 351.428 2.243 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCC(C)C ZINC000443066296 560068920 /nfs/dbraw/zinc/06/89/20/560068920.db2.gz GXJJEBINHIYOIW-GXTWGEPZSA-N -1 1 357.476 2.470 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCOC1)c1c(Cl)cccc1C(F)(F)F ZINC000443284948 560077707 /nfs/dbraw/zinc/07/77/07/560077707.db2.gz RUOPKICIMFNFHU-GZMMTYOYSA-N -1 1 373.780 2.035 20 0 FEADMM COc1cc(C(=O)N2CCN(Cc3cscn3)CC2)cc(Cl)c1[O-] ZINC000443337640 560080916 /nfs/dbraw/zinc/08/09/16/560080916.db2.gz VJMNHKHFLZHFMV-UHFFFAOYSA-N -1 1 367.858 2.469 20 0 FEADMM COc1cc(NCC[N-]S(=O)(=O)c2nc(C)c(C)s2)cc(OC)c1 ZINC000443763984 560092110 /nfs/dbraw/zinc/09/21/10/560092110.db2.gz KCSQLRSKSOBPIJ-UHFFFAOYSA-N -1 1 371.484 2.168 20 0 FEADMM CCO[C@H]1C[C@](CO)(NC(=O)c2ccc(Br)cc2[O-])C1(C)C ZINC000444570657 560115881 /nfs/dbraw/zinc/11/58/81/560115881.db2.gz LMTSWISFJQPSOS-XJKSGUPXSA-N -1 1 372.259 2.451 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C[C@H](C)c3cccnc3)CC2)n1 ZINC000444761826 560120010 /nfs/dbraw/zinc/12/00/10/560120010.db2.gz PHDAKRGFZHVFDD-ZDUSSCGKSA-N -1 1 371.441 2.276 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445696716 560133894 /nfs/dbraw/zinc/13/38/94/560133894.db2.gz JRDKNWLLQSQRPR-ZETCQYMHSA-N -1 1 360.379 2.185 20 0 FEADMM Cc1nnc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1C1CC1 ZINC000447496877 560163312 /nfs/dbraw/zinc/16/33/12/560163312.db2.gz CUZSZZKIXWJIBM-UHFFFAOYSA-N -1 1 361.402 2.425 20 0 FEADMM Cc1nnc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1C1CC1 ZINC000447496877 560163313 /nfs/dbraw/zinc/16/33/13/560163313.db2.gz CUZSZZKIXWJIBM-UHFFFAOYSA-N -1 1 361.402 2.425 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3(SC)CC3)c2)n1 ZINC000447679145 560166665 /nfs/dbraw/zinc/16/66/65/560166665.db2.gz CBOWORRHUMSBEY-UHFFFAOYSA-N -1 1 360.439 2.160 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC[C@@H](C)OC)c2)n1 ZINC000447685443 560167021 /nfs/dbraw/zinc/16/70/21/560167021.db2.gz LHCUBIRKZLFQAZ-GFCCVEGCSA-N -1 1 360.414 2.080 20 0 FEADMM COc1c(C)cnc(Cn2cnc([N-]C(=O)c3ncc(F)cc3F)n2)c1C ZINC000447697950 560167311 /nfs/dbraw/zinc/16/73/11/560167311.db2.gz IBGDPFQHEJMGOC-UHFFFAOYSA-N -1 1 374.351 2.272 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000447823669 560170175 /nfs/dbraw/zinc/17/01/75/560170175.db2.gz XIQISICTJINVAH-LURJTMIESA-N -1 1 351.306 2.158 20 0 FEADMM CCNC(=O)c1ccc(=NCCOc2ccc(Cl)c(Cl)c2)[n-]n1 ZINC000450629303 560268526 /nfs/dbraw/zinc/26/85/26/560268526.db2.gz YAJBKCNMVCJQHU-UHFFFAOYSA-N -1 1 355.225 3.024 20 0 FEADMM O=c1[n-]nc([C@@H]2CCCN(Cc3ccc(OCC(F)(F)F)nc3)C2)o1 ZINC000450897052 560277296 /nfs/dbraw/zinc/27/72/96/560277296.db2.gz PURNZOHBUYEUNE-LLVKDONJSA-N -1 1 358.320 2.491 20 0 FEADMM Cc1nn2cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cnc2c1Cl ZINC000451033285 560283707 /nfs/dbraw/zinc/28/37/07/560283707.db2.gz SWGCGGHUPLXVCI-UHFFFAOYSA-N -1 1 356.757 2.310 20 0 FEADMM CC(C)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000451096285 560286751 /nfs/dbraw/zinc/28/67/51/560286751.db2.gz MIQNAWKZPKJUGR-UHFFFAOYSA-N -1 1 350.396 2.363 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1F ZINC000451112015 560287762 /nfs/dbraw/zinc/28/77/62/560287762.db2.gz GCLSNGKOXLHIMX-UHFFFAOYSA-N -1 1 358.370 2.019 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)N1CCCC[C@H]1C ZINC000451152520 560290150 /nfs/dbraw/zinc/29/01/50/560290150.db2.gz BXBXFERUKMDWAZ-NXEZZACHSA-N -1 1 350.893 2.469 20 0 FEADMM O=S(=O)([N-][C@@H](CCO)C1CCOCC1)c1cc2cc(F)ccc2o1 ZINC000451390179 560303946 /nfs/dbraw/zinc/30/39/46/560303946.db2.gz BYRLYXMSJVVDMB-AWEZNQCLSA-N -1 1 357.403 2.028 20 0 FEADMM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451509510 560311148 /nfs/dbraw/zinc/31/11/48/560311148.db2.gz NTVHIQOTAWWKOD-PRHODGIISA-N -1 1 358.872 2.358 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(F)F ZINC000451625636 560317817 /nfs/dbraw/zinc/31/78/17/560317817.db2.gz QPJSIVHORZMKGS-CHWSQXEVSA-N -1 1 352.447 2.131 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)o1 ZINC000451674654 560321450 /nfs/dbraw/zinc/32/14/50/560321450.db2.gz YWFFXSIRFBYHFY-UHFFFAOYSA-N -1 1 352.412 2.107 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000451955730 560340448 /nfs/dbraw/zinc/34/04/48/560340448.db2.gz BYUWXEZZDPZEIB-NEPJUHHUSA-N -1 1 371.436 2.326 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000452512235 560366716 /nfs/dbraw/zinc/36/67/16/560366716.db2.gz OOVMIHPQNMBDEC-QWRGUYRKSA-N -1 1 359.348 2.144 20 0 FEADMM CC/C=C/CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452620403 560369230 /nfs/dbraw/zinc/36/92/30/560369230.db2.gz YZKZBBCPAPMSHA-ONEGZZNKSA-N -1 1 351.255 2.354 20 0 FEADMM CC[C@](C)(CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)OC ZINC000454894964 560462495 /nfs/dbraw/zinc/46/24/95/560462495.db2.gz NYOCNDSUELLION-OAHLLOKOSA-N -1 1 359.448 2.003 20 0 FEADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H](C)O ZINC000456190949 560510375 /nfs/dbraw/zinc/51/03/75/560510375.db2.gz MHVIQJWEPNQDLY-CXAGYDPISA-N -1 1 362.451 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cnc2OC(C)C)o1 ZINC000456195411 560510523 /nfs/dbraw/zinc/51/05/23/560510523.db2.gz BGKGLJCIPHVSJX-UHFFFAOYSA-N -1 1 373.818 2.276 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](CO)CC(C)(C)C)c(=O)[n-]1 ZINC000456422287 560520102 /nfs/dbraw/zinc/52/01/02/560520102.db2.gz PEPYDLNOKBEOGL-GFCCVEGCSA-N -1 1 355.504 2.401 20 0 FEADMM CO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456665058 560527986 /nfs/dbraw/zinc/52/79/86/560527986.db2.gz WGTQVBKRKJXGAD-HZPDHXFCSA-N -1 1 372.469 2.400 20 0 FEADMM COC[C@@]1(CO)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000456775046 560532482 /nfs/dbraw/zinc/53/24/82/560532482.db2.gz NWZJNEDOLALQGS-KRWDZBQOSA-N -1 1 350.802 2.065 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000456893506 560536002 /nfs/dbraw/zinc/53/60/02/560536002.db2.gz DRHPITXEUKEPRI-LBPRGKRZSA-N -1 1 369.849 2.320 20 0 FEADMM C[C@H]1C[C@@H](O)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000456990241 560542550 /nfs/dbraw/zinc/54/25/50/560542550.db2.gz FFDTXSRLHZCJBP-WMLDXEAASA-N -1 1 374.462 2.330 20 0 FEADMM COC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000457018735 560544174 /nfs/dbraw/zinc/54/41/74/560544174.db2.gz ASVLZNQTXHWOKO-CYBMUJFWSA-N -1 1 372.487 2.245 20 0 FEADMM Nc1nccc([C@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)C2)n1 ZINC000459421678 560685433 /nfs/dbraw/zinc/68/54/33/560685433.db2.gz HAXLCQHODZCXMS-HNNXBMFYSA-N -1 1 362.437 2.601 20 0 FEADMM Cc1cnc(C(=O)N(Cc2ccccc2)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000460183403 560737434 /nfs/dbraw/zinc/73/74/34/560737434.db2.gz BTOAFYKEINGRGW-QGZVFWFLSA-N -1 1 369.465 2.459 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1cc(OC)c(C(=O)OC)cc1Cl ZINC000460753946 560750956 /nfs/dbraw/zinc/75/09/56/560750956.db2.gz DRHFMQAGTKAMFL-UHFFFAOYSA-N -1 1 373.818 2.152 20 0 FEADMM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000460837556 560753170 /nfs/dbraw/zinc/75/31/70/560753170.db2.gz CXHMSKYIWGSKDT-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM CCC(CC)(CN=c1ccc(C(=O)NC)n[n-]1)c1ccc(OC)c(OC)c1 ZINC000460966041 560757379 /nfs/dbraw/zinc/75/73/79/560757379.db2.gz VFHSJNRYUOMYGI-UHFFFAOYSA-N -1 1 372.469 3.023 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn(C)c3ccccc23)c1 ZINC000461465257 560772872 /nfs/dbraw/zinc/77/28/72/560772872.db2.gz OAZQDFXOCXWSSX-UHFFFAOYSA-N -1 1 359.407 2.044 20 0 FEADMM Cc1cc(C(=O)[N-]c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)on1 ZINC000461470321 560773315 /nfs/dbraw/zinc/77/33/15/560773315.db2.gz UQHNTBBWRUTJBJ-UHFFFAOYSA-N -1 1 373.793 2.469 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CN1c1ccccc1F ZINC000462296454 560804671 /nfs/dbraw/zinc/80/46/71/560804671.db2.gz OHJGYUDDQXUNMW-JTQLQIEISA-N -1 1 370.352 2.188 20 0 FEADMM Cc1cc(C(=O)Nc2nc3ccc(F)cc3n2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000464434193 560841857 /nfs/dbraw/zinc/84/18/57/560841857.db2.gz QTPFYUJKOQCSAP-UHFFFAOYSA-N -1 1 368.328 2.023 20 0 FEADMM Cc1cc(C(=O)Nc2nc3ccc(F)cc3n2C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000464434193 560841858 /nfs/dbraw/zinc/84/18/58/560841858.db2.gz QTPFYUJKOQCSAP-UHFFFAOYSA-N -1 1 368.328 2.023 20 0 FEADMM O=C(N=c1[n-]nc(-c2ccco2)s1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467161956 560905222 /nfs/dbraw/zinc/90/52/22/560905222.db2.gz PMQSCQFAGDPTRR-LBPRGKRZSA-N -1 1 367.394 2.827 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(SCc2nc(C)no2)cc1)c1nn[n-]n1 ZINC000467640238 560914173 /nfs/dbraw/zinc/91/41/73/560914173.db2.gz MTDOVACIJKCRJS-ZDUSSCGKSA-N -1 1 373.442 2.455 20 0 FEADMM CCC[C@@](C)(CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000468338915 560927523 /nfs/dbraw/zinc/92/75/23/560927523.db2.gz JZGSDZJDFKEWJX-ZDUSSCGKSA-N -1 1 363.195 2.278 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cncc([O-])c1 ZINC000468915318 560942196 /nfs/dbraw/zinc/94/21/96/560942196.db2.gz KPUFCLAXMSOZIV-UHFFFAOYSA-N -1 1 373.390 2.111 20 0 FEADMM Cc1ccc([C@]2(C)CCN(C(=O)CNC(=O)c3ncccc3[O-])C2)cc1 ZINC000468924363 560942338 /nfs/dbraw/zinc/94/23/38/560942338.db2.gz HLLBJLVRWDRZEY-HXUWFJFHSA-N -1 1 353.422 2.016 20 0 FEADMM Cc1ccc(OCc2ccc(C(=O)NC3(c4nn[n-]n4)CC3)o2)c(C)c1 ZINC000470972186 560995597 /nfs/dbraw/zinc/99/55/97/560995597.db2.gz QUXZKOKUJGDMAD-UHFFFAOYSA-N -1 1 353.382 2.408 20 0 FEADMM Cn1c(C(=O)NC2(c3nn[n-]n3)CC2)cc2cc(C(F)(F)F)ccc21 ZINC000470986464 560995955 /nfs/dbraw/zinc/99/59/55/560995955.db2.gz WEVGRJVAHRPKHQ-UHFFFAOYSA-N -1 1 350.304 2.129 20 0 FEADMM COc1ccc(C)nc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000471707066 561010644 /nfs/dbraw/zinc/01/06/44/561010644.db2.gz SOYDRTMCLSWFIR-UHFFFAOYSA-N -1 1 367.427 2.321 20 0 FEADMM COc1cc(NC(=O)c2cc(C(C)C)nn2C)ccc1[N-]S(C)(=O)=O ZINC000472029322 561016351 /nfs/dbraw/zinc/01/63/51/561016351.db2.gz LMOKFMYGKKLQIR-UHFFFAOYSA-N -1 1 366.443 2.176 20 0 FEADMM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000472194493 561020739 /nfs/dbraw/zinc/02/07/39/561020739.db2.gz JLFYZXXFTOPEJC-LURJTMIESA-N -1 1 360.632 2.291 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1 ZINC000472432657 561026471 /nfs/dbraw/zinc/02/64/71/561026471.db2.gz QCUUXGLIMILHFU-UHFFFAOYSA-N -1 1 350.444 2.392 20 0 FEADMM O=S(=O)([N-][C@H](CO)c1ccsc1)c1ccc(Br)o1 ZINC000472707542 561033442 /nfs/dbraw/zinc/03/34/42/561033442.db2.gz GQDGIWUILPEAAN-MRVPVSSYSA-N -1 1 352.231 2.116 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000473208115 561044379 /nfs/dbraw/zinc/04/43/79/561044379.db2.gz LHOWUBPZDCGMNQ-NSHDSACASA-N -1 1 361.423 2.151 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1F ZINC000474318384 561071203 /nfs/dbraw/zinc/07/12/03/561071203.db2.gz YXYXNPVBTBQXIU-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000474336948 561071572 /nfs/dbraw/zinc/07/15/72/561071572.db2.gz MMHFGJSNNFJKQT-CVEARBPZSA-N -1 1 353.422 2.045 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c[nH]1 ZINC000474429484 561073969 /nfs/dbraw/zinc/07/39/69/561073969.db2.gz UJUXKGMAZKOTLF-UHFFFAOYSA-N -1 1 352.416 2.373 20 0 FEADMM COCCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474557930 561076736 /nfs/dbraw/zinc/07/67/36/561076736.db2.gz OKJLSTLBQBQTSR-UHFFFAOYSA-N -1 1 366.414 2.279 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000474559382 561076772 /nfs/dbraw/zinc/07/67/72/561076772.db2.gz QIYHLOHPAXDOGM-UHFFFAOYSA-N -1 1 372.450 2.035 20 0 FEADMM CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nn[n-]n1 ZINC000474998012 561087288 /nfs/dbraw/zinc/08/72/88/561087288.db2.gz ARRHVGANUPEUQK-VHSXEESVSA-N -1 1 355.320 2.253 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000475804284 561105752 /nfs/dbraw/zinc/10/57/52/561105752.db2.gz BGMCWPVYYXKCBW-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000476436796 561119392 /nfs/dbraw/zinc/11/93/92/561119392.db2.gz SEMSXXNAGYWFHP-UHFFFAOYSA-N -1 1 352.343 2.314 20 0 FEADMM C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000528965393 562354517 /nfs/dbraw/zinc/35/45/17/562354517.db2.gz WUQQRDZBMZGUPI-QPUJVOFHSA-N -1 1 365.224 2.309 20 0 FEADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000529798779 562385497 /nfs/dbraw/zinc/38/54/97/562385497.db2.gz JUJBXHQXXYLHQI-AWEZNQCLSA-N -1 1 350.440 2.329 20 0 FEADMM CCOC[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCO1 ZINC000529894374 562390099 /nfs/dbraw/zinc/39/00/99/562390099.db2.gz NKSCYSZXEVFBPY-GFCCVEGCSA-N -1 1 350.802 2.471 20 0 FEADMM CCn1nc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000530127903 562399097 /nfs/dbraw/zinc/39/90/97/562399097.db2.gz CLJYQYSPGMEEBF-UHFFFAOYSA-N -1 1 354.432 2.134 20 0 FEADMM O=C([O-])c1cnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cn1 ZINC000530160863 562400783 /nfs/dbraw/zinc/40/07/83/562400783.db2.gz FBLFVAWFRHNYEC-UHFFFAOYSA-N -1 1 364.409 2.340 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(OCC(C)C)c1 ZINC000530507319 562413820 /nfs/dbraw/zinc/41/38/20/562413820.db2.gz YUUMMKPKYXZREF-ZDUSSCGKSA-N -1 1 359.430 2.263 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1 ZINC000530801711 562424299 /nfs/dbraw/zinc/42/42/99/562424299.db2.gz VUGKCNJZRUCSNX-UHFFFAOYSA-N -1 1 364.423 2.441 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1F ZINC000530905193 562428024 /nfs/dbraw/zinc/42/80/24/562428024.db2.gz AUTCEJWUCBQYPQ-UHFFFAOYSA-N -1 1 362.386 2.275 20 0 FEADMM O=C([O-])C1(NCC(=O)NCc2cccc(OCC(F)(F)F)c2)CCCC1 ZINC000532711554 562486278 /nfs/dbraw/zinc/48/62/78/562486278.db2.gz GNFDAQUBLFFHJQ-UHFFFAOYSA-N -1 1 374.359 2.231 20 0 FEADMM COc1cc(NC(=O)NCc2cncc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000534088782 562524987 /nfs/dbraw/zinc/52/49/87/562524987.db2.gz JAHNFULZCWEVSJ-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)cc1C ZINC000534207174 562527626 /nfs/dbraw/zinc/52/76/26/562527626.db2.gz IEBFDJKHQDFBTL-UHFFFAOYSA-N -1 1 374.418 2.420 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)co1 ZINC000535207679 562553107 /nfs/dbraw/zinc/55/31/07/562553107.db2.gz STXMEBGJHWFLOO-UHFFFAOYSA-N -1 1 374.802 2.111 20 0 FEADMM Cc1cc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)ccc1C(=O)[O-] ZINC000535614022 562562545 /nfs/dbraw/zinc/56/25/45/562562545.db2.gz WQKBQVQYUNIMND-UHFFFAOYSA-N -1 1 366.370 2.456 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccccc1 ZINC000540939826 562597742 /nfs/dbraw/zinc/59/77/42/562597742.db2.gz BIBQMCPKNVCECB-HNNXBMFYSA-N -1 1 355.362 2.299 20 0 FEADMM CCCN(C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000541308504 562608473 /nfs/dbraw/zinc/60/84/73/562608473.db2.gz KCEJAQUEXAJKTF-GFCCVEGCSA-N -1 1 369.270 2.384 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C)CCO[C@H]1C ZINC000541501539 562613467 /nfs/dbraw/zinc/61/34/67/562613467.db2.gz UBKDBUJTPPVVET-DJJJIMSYSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(C(N)=O)n2)c1 ZINC000541955209 562624446 /nfs/dbraw/zinc/62/44/46/562624446.db2.gz ZRXKZEVWKGKWSQ-UHFFFAOYSA-N -1 1 350.172 2.209 20 0 FEADMM COCCCCc1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000545678375 562629858 /nfs/dbraw/zinc/62/98/58/562629858.db2.gz OORSQAZFBYZBJG-UHFFFAOYSA-N -1 1 357.432 2.376 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000545922512 562631209 /nfs/dbraw/zinc/63/12/09/562631209.db2.gz PPNDLPXCIURINO-ZJUUUORDSA-N -1 1 369.867 2.113 20 0 FEADMM O=S(=O)([N-][C@H]([C@H]1CCCO1)C1(CO)CCC1)c1sccc1Cl ZINC000556325813 674397245 /nfs/dbraw/zinc/39/72/45/674397245.db2.gz GEECZMLJWQSMND-VXGBXAGGSA-N -1 1 365.904 2.390 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c1 ZINC000601975871 567893857 /nfs/dbraw/zinc/89/38/57/567893857.db2.gz LXNPDGNAXWPFLT-QGZVFWFLSA-N -1 1 371.455 2.107 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C(C)(C)c2ccc(Cl)cc2F)n[n-]1 ZINC000603014307 568047679 /nfs/dbraw/zinc/04/76/79/568047679.db2.gz DPLYKWIBQWQOPV-UHFFFAOYSA-N -1 1 368.796 2.368 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C(C)(C)c2ccc(Cl)cc2F)n1 ZINC000603014307 568047681 /nfs/dbraw/zinc/04/76/81/568047681.db2.gz DPLYKWIBQWQOPV-UHFFFAOYSA-N -1 1 368.796 2.368 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cscc2Br)n1 ZINC000603157262 568068868 /nfs/dbraw/zinc/06/88/68/568068868.db2.gz VMRRXJJQGLSXQY-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)n[n-]1 ZINC000603153027 568065212 /nfs/dbraw/zinc/06/52/12/568065212.db2.gz FVSLOOUVYRURJK-BDAKNGLRSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)[n-]1 ZINC000603153027 568065213 /nfs/dbraw/zinc/06/52/13/568065213.db2.gz FVSLOOUVYRURJK-BDAKNGLRSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)n1 ZINC000603153027 568065214 /nfs/dbraw/zinc/06/52/14/568065214.db2.gz FVSLOOUVYRURJK-BDAKNGLRSA-N -1 1 352.341 2.241 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCCc2cc(F)ccc2F)n[n-]1 ZINC000603156212 568068692 /nfs/dbraw/zinc/06/86/92/568068692.db2.gz RAAZBXROVBVOGI-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCCc2cc(F)ccc2F)[n-]1 ZINC000603156212 568068693 /nfs/dbraw/zinc/06/86/93/568068693.db2.gz RAAZBXROVBVOGI-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCCc2cc(F)ccc2F)n1 ZINC000603156212 568068694 /nfs/dbraw/zinc/06/86/94/568068694.db2.gz RAAZBXROVBVOGI-SNVBAGLBSA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cscc2Br)n[n-]1 ZINC000603157262 568068866 /nfs/dbraw/zinc/06/88/66/568068866.db2.gz VMRRXJJQGLSXQY-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cscc2Br)[n-]1 ZINC000603157262 568068867 /nfs/dbraw/zinc/06/88/67/568068867.db2.gz VMRRXJJQGLSXQY-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000603163372 568069743 /nfs/dbraw/zinc/06/97/43/568069743.db2.gz ICADJHKKSDSPAV-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000603163372 568069744 /nfs/dbraw/zinc/06/97/44/568069744.db2.gz ICADJHKKSDSPAV-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000603163372 568069745 /nfs/dbraw/zinc/06/97/45/568069745.db2.gz ICADJHKKSDSPAV-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2csc(Br)c2)n[n-]1 ZINC000603166365 568070291 /nfs/dbraw/zinc/07/02/91/568070291.db2.gz QBHDDLMIRKNMBC-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2csc(Br)c2)[n-]1 ZINC000603166365 568070292 /nfs/dbraw/zinc/07/02/92/568070292.db2.gz QBHDDLMIRKNMBC-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2csc(Br)c2)n1 ZINC000603166365 568070293 /nfs/dbraw/zinc/07/02/93/568070293.db2.gz QBHDDLMIRKNMBC-LURJTMIESA-N -1 1 373.232 2.296 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000605118886 568573568 /nfs/dbraw/zinc/57/35/68/568573568.db2.gz MFRLIXUZXCTHLG-UHFFFAOYSA-N -1 1 354.391 2.043 20 0 FEADMM Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737376496 598841524 /nfs/dbraw/zinc/84/15/24/598841524.db2.gz HCXQOCFGOMLXBP-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM CCN(c1cccc(F)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736564275 598843151 /nfs/dbraw/zinc/84/31/51/598843151.db2.gz BXATTXDRFOKXKY-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM CCN(c1cccc(F)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736564275 598843153 /nfs/dbraw/zinc/84/31/53/598843153.db2.gz BXATTXDRFOKXKY-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737376496 598841523 /nfs/dbraw/zinc/84/15/23/598841523.db2.gz HCXQOCFGOMLXBP-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM CC[C@H]1CCCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736399911 598877030 /nfs/dbraw/zinc/87/70/30/598877030.db2.gz LSTVGYKMYPRTAT-NSHDSACASA-N -1 1 353.423 2.349 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000737301102 598931764 /nfs/dbraw/zinc/93/17/64/598931764.db2.gz HPQVLFITGKSOQR-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM Cc1ccn2cc(CNc3c4ccccc4nnc3-c3nnn[n-]3)nc2c1 ZINC000737437782 598936901 /nfs/dbraw/zinc/93/69/01/598936901.db2.gz XJAMENMVPWZLDW-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM Cc1ccn2cc(CNc3c4ccccc4nnc3-c3nn[n-]n3)nc2c1 ZINC000737437782 598936903 /nfs/dbraw/zinc/93/69/03/598936903.db2.gz XJAMENMVPWZLDW-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM CN(Cc1nccn1C(F)F)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736830933 598958558 /nfs/dbraw/zinc/95/85/58/598958558.db2.gz FNJRRXREJPNUDI-UHFFFAOYSA-N -1 1 357.328 2.038 20 0 FEADMM CN(Cc1nccn1C(F)F)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736830933 598958559 /nfs/dbraw/zinc/95/85/59/598958559.db2.gz FNJRRXREJPNUDI-UHFFFAOYSA-N -1 1 357.328 2.038 20 0 FEADMM c1nn(Cc2ccccn2)cc1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738433568 598964080 /nfs/dbraw/zinc/96/40/80/598964080.db2.gz SVAQKLUBBYWYRO-UHFFFAOYSA-N -1 1 370.380 2.193 20 0 FEADMM c1nn(Cc2ccccn2)cc1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738433568 598964082 /nfs/dbraw/zinc/96/40/82/598964082.db2.gz SVAQKLUBBYWYRO-UHFFFAOYSA-N -1 1 370.380 2.193 20 0 FEADMM COc1cccc2sc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)nc21 ZINC000737143164 598984190 /nfs/dbraw/zinc/98/41/90/598984190.db2.gz PSTXLCRBYSRGSV-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM COc1cccc2sc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)nc21 ZINC000737143164 598984192 /nfs/dbraw/zinc/98/41/92/598984192.db2.gz PSTXLCRBYSRGSV-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735755208 598985888 /nfs/dbraw/zinc/98/58/88/598985888.db2.gz CVXRFDNHVYOYPS-UHFFFAOYSA-N -1 1 365.397 2.499 20 0 FEADMM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735755208 598985890 /nfs/dbraw/zinc/98/58/90/598985890.db2.gz CVXRFDNHVYOYPS-UHFFFAOYSA-N -1 1 365.397 2.499 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2[nH]1 ZINC000735722291 598992161 /nfs/dbraw/zinc/99/21/61/598992161.db2.gz UILHPOPCEAWMRS-OAHLLOKOSA-N -1 1 362.397 2.265 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2[nH]1 ZINC000735722291 598992163 /nfs/dbraw/zinc/99/21/63/598992163.db2.gz UILHPOPCEAWMRS-OAHLLOKOSA-N -1 1 362.397 2.265 20 0 FEADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036623 598998081 /nfs/dbraw/zinc/99/80/81/598998081.db2.gz RGXBJWVLKINPGY-GFCCVEGCSA-N -1 1 356.773 2.169 20 0 FEADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036623 598998083 /nfs/dbraw/zinc/99/80/83/598998083.db2.gz RGXBJWVLKINPGY-GFCCVEGCSA-N -1 1 356.773 2.169 20 0 FEADMM COc1cccc(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737130446 599000121 /nfs/dbraw/zinc/00/01/21/599000121.db2.gz PGENBBREFFNGOZ-UHFFFAOYSA-N -1 1 364.409 2.290 20 0 FEADMM COc1cccc(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737130446 599000122 /nfs/dbraw/zinc/00/01/22/599000122.db2.gz PGENBBREFFNGOZ-UHFFFAOYSA-N -1 1 364.409 2.290 20 0 FEADMM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737455177 599002015 /nfs/dbraw/zinc/00/20/15/599002015.db2.gz NCVYQPMWWOXTAF-ZDUSSCGKSA-N -1 1 355.427 2.394 20 0 FEADMM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737455177 599002017 /nfs/dbraw/zinc/00/20/17/599002017.db2.gz NCVYQPMWWOXTAF-ZDUSSCGKSA-N -1 1 355.427 2.394 20 0 FEADMM COc1ccccc1CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737152279 599003294 /nfs/dbraw/zinc/00/32/94/599003294.db2.gz JTVUECFRDHNJSH-UHFFFAOYSA-N -1 1 352.398 2.021 20 0 FEADMM COc1ccccc1CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737152279 599003296 /nfs/dbraw/zinc/00/32/96/599003296.db2.gz JTVUECFRDHNJSH-UHFFFAOYSA-N -1 1 352.398 2.021 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000738258135 599021447 /nfs/dbraw/zinc/02/14/47/599021447.db2.gz FHCVFZVLSYQUME-UHFFFAOYSA-N -1 1 372.392 2.068 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000738258135 599021448 /nfs/dbraw/zinc/02/14/48/599021448.db2.gz FHCVFZVLSYQUME-UHFFFAOYSA-N -1 1 372.392 2.068 20 0 FEADMM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085341 599027127 /nfs/dbraw/zinc/02/71/27/599027127.db2.gz FEPLRPVRBBXKHO-UHFFFAOYSA-N -1 1 367.800 2.369 20 0 FEADMM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085341 599027128 /nfs/dbraw/zinc/02/71/28/599027128.db2.gz FEPLRPVRBBXKHO-UHFFFAOYSA-N -1 1 367.800 2.369 20 0 FEADMM O=C(OCCCOCCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738223216 599137646 /nfs/dbraw/zinc/13/76/46/599137646.db2.gz VCSHUURCZVHBAT-UHFFFAOYSA-N -1 1 353.382 2.068 20 0 FEADMM O=C(OCCCOCCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738223216 599137651 /nfs/dbraw/zinc/13/76/51/599137651.db2.gz VCSHUURCZVHBAT-UHFFFAOYSA-N -1 1 353.382 2.068 20 0 FEADMM CCn1c(COC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2c1cccc2F ZINC000736719933 599142228 /nfs/dbraw/zinc/14/22/28/599142228.db2.gz GANLLUZGEVZIET-UHFFFAOYSA-N -1 1 367.344 2.127 20 0 FEADMM CCn1c(COC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2c1cccc2F ZINC000736719933 599142230 /nfs/dbraw/zinc/14/22/30/599142230.db2.gz GANLLUZGEVZIET-UHFFFAOYSA-N -1 1 367.344 2.127 20 0 FEADMM CC[C@@H](C)C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820869601 599159169 /nfs/dbraw/zinc/15/91/69/599159169.db2.gz IIOIMJBMLAASIG-GHMZBOCLSA-N -1 1 360.462 2.458 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCCOC2CCC2)c1-c1nn[n-]n1 ZINC000821990864 599196022 /nfs/dbraw/zinc/19/60/22/599196022.db2.gz XFCFWVKEUZKXTP-UHFFFAOYSA-N -1 1 374.470 2.160 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cccc2nccn21 ZINC000737547240 599211045 /nfs/dbraw/zinc/21/10/45/599211045.db2.gz JGWBSDVVUJFHST-UHFFFAOYSA-N -1 1 374.364 2.459 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)n1 ZINC000822613099 607273144 /nfs/dbraw/zinc/27/31/44/607273144.db2.gz ALDLVZYEAKSNGF-ZDUSSCGKSA-N -1 1 352.402 2.144 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)n1 ZINC000822613099 607273145 /nfs/dbraw/zinc/27/31/45/607273145.db2.gz ALDLVZYEAKSNGF-ZDUSSCGKSA-N -1 1 352.402 2.144 20 0 FEADMM CCCNC(=O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000736481437 599264428 /nfs/dbraw/zinc/26/44/28/599264428.db2.gz QIMMLOGVDWSSIS-UHFFFAOYSA-N -1 1 365.441 2.158 20 0 FEADMM CCCNC(=O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736481437 599264431 /nfs/dbraw/zinc/26/44/31/599264431.db2.gz QIMMLOGVDWSSIS-UHFFFAOYSA-N -1 1 365.441 2.158 20 0 FEADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807706491 674424700 /nfs/dbraw/zinc/42/47/00/674424700.db2.gz WKDLYMJDOTXWDG-QFHDERPTSA-N -1 1 350.381 2.104 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)Nc1nnc(-c2sccc2C)o1)C(=O)[O-] ZINC000820465371 598187865 /nfs/dbraw/zinc/18/78/65/598187865.db2.gz DBTNKIXCJHWMII-KWQFWETISA-N -1 1 352.416 2.134 20 0 FEADMM Cn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccncc1 ZINC000737593048 598236250 /nfs/dbraw/zinc/23/62/50/598236250.db2.gz PPWUKAOAHIPKPC-UHFFFAOYSA-N -1 1 354.374 2.348 20 0 FEADMM Cn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccncc1 ZINC000737593048 598236252 /nfs/dbraw/zinc/23/62/52/598236252.db2.gz PPWUKAOAHIPKPC-UHFFFAOYSA-N -1 1 354.374 2.348 20 0 FEADMM O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340016 598260061 /nfs/dbraw/zinc/26/00/61/598260061.db2.gz SEARBFFHRDQLAJ-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340016 598260062 /nfs/dbraw/zinc/26/00/62/598260062.db2.gz SEARBFFHRDQLAJ-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM FC(F)(F)Oc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737626123 598345748 /nfs/dbraw/zinc/34/57/48/598345748.db2.gz IJTXKQUKQXELDN-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)Oc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737626123 598345750 /nfs/dbraw/zinc/34/57/50/598345750.db2.gz IJTXKQUKQXELDN-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM COc1ccc(Br)cc1CNc1nccnc1-c1nnn[n-]1 ZINC000737066808 598350133 /nfs/dbraw/zinc/35/01/33/598350133.db2.gz WAYYIDPCGSQBEF-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM COc1ccc(Br)cc1CNc1nccnc1-c1nn[n-]n1 ZINC000737066808 598350134 /nfs/dbraw/zinc/35/01/34/598350134.db2.gz WAYYIDPCGSQBEF-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736291571 598350453 /nfs/dbraw/zinc/35/04/53/598350453.db2.gz FWSFDTBOFZFKGK-RYUDHWBXSA-N -1 1 352.402 2.014 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736291571 598350456 /nfs/dbraw/zinc/35/04/56/598350456.db2.gz FWSFDTBOFZFKGK-RYUDHWBXSA-N -1 1 352.402 2.014 20 0 FEADMM Fc1ccc(-c2nc(CCNc3nccnc3-c3nnn[n-]3)co2)cc1 ZINC000737654003 598351413 /nfs/dbraw/zinc/35/14/13/598351413.db2.gz VNGQMWAMPWLNHM-UHFFFAOYSA-N -1 1 352.333 2.105 20 0 FEADMM Fc1ccc(-c2nc(CCNc3nccnc3-c3nn[n-]n3)co2)cc1 ZINC000737654003 598351414 /nfs/dbraw/zinc/35/14/14/598351414.db2.gz VNGQMWAMPWLNHM-UHFFFAOYSA-N -1 1 352.333 2.105 20 0 FEADMM Cc1oc(NC(=O)[C@H](C)N2Cc3ccccc3C2)c(-c2nn[n-]n2)c1C ZINC000737553921 598429204 /nfs/dbraw/zinc/42/92/04/598429204.db2.gz XXVHVZHNFWZRCC-NSHDSACASA-N -1 1 352.398 2.419 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](COC(F)F)C2)c(=O)[n-]1 ZINC000557124537 674438037 /nfs/dbraw/zinc/43/80/37/674438037.db2.gz QQBRWEQETSPHKG-JTQLQIEISA-N -1 1 361.414 2.233 20 0 FEADMM Clc1ccc(NCc2ccccc2Cn2cncn2)nc1-c1nnn[n-]1 ZINC000737574152 598574047 /nfs/dbraw/zinc/57/40/47/598574047.db2.gz LJPBMCYMNNXBFG-UHFFFAOYSA-N -1 1 367.804 2.167 20 0 FEADMM Clc1ccc(NCc2ccccc2Cn2cncn2)nc1-c1nn[n-]n1 ZINC000737574152 598574049 /nfs/dbraw/zinc/57/40/49/598574049.db2.gz LJPBMCYMNNXBFG-UHFFFAOYSA-N -1 1 367.804 2.167 20 0 FEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000738294545 598594297 /nfs/dbraw/zinc/59/42/97/598594297.db2.gz CPQFORSRBGZBKK-VIFPVBQESA-N -1 1 361.818 2.194 20 0 FEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000738294545 598594299 /nfs/dbraw/zinc/59/42/99/598594299.db2.gz CPQFORSRBGZBKK-VIFPVBQESA-N -1 1 361.818 2.194 20 0 FEADMM CC(C)C[C@H](C)Oc1cc(CNc2nccnc2-c2nnn[n-]2)ccn1 ZINC000735760255 598675346 /nfs/dbraw/zinc/67/53/46/598675346.db2.gz ABEOIQQOGLCMQF-LBPRGKRZSA-N -1 1 354.418 2.477 20 0 FEADMM CC(C)C[C@H](C)Oc1cc(CNc2nccnc2-c2nn[n-]n2)ccn1 ZINC000735760255 598675349 /nfs/dbraw/zinc/67/53/49/598675349.db2.gz ABEOIQQOGLCMQF-LBPRGKRZSA-N -1 1 354.418 2.477 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H]1c1ccccc1 ZINC000738355711 598690562 /nfs/dbraw/zinc/69/05/62/598690562.db2.gz QFAAKAVTXALSGO-HNNXBMFYSA-N -1 1 359.386 2.142 20 0 FEADMM CC(C)(NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735678641 598692456 /nfs/dbraw/zinc/69/24/56/598692456.db2.gz UKXCHVIACUUXQD-UHFFFAOYSA-N -1 1 361.402 2.219 20 0 FEADMM Cc1cccc(C)c1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737389600 598719280 /nfs/dbraw/zinc/71/92/80/598719280.db2.gz KTURCNNHRJALLN-UHFFFAOYSA-N -1 1 374.404 2.437 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)ccc1F ZINC000808328308 674453206 /nfs/dbraw/zinc/45/32/06/674453206.db2.gz OEXNXYDJCWVJGZ-LLVKDONJSA-N -1 1 355.309 2.232 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1 ZINC000808125282 674442831 /nfs/dbraw/zinc/44/28/31/674442831.db2.gz RDGYMAFJXLAGQZ-UHFFFAOYSA-N -1 1 362.363 2.336 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc(-n3cccn3)cc2)c2ccccc12 ZINC000738372750 598789333 /nfs/dbraw/zinc/78/93/33/598789333.db2.gz UPFAVVQUPYJEQB-UHFFFAOYSA-N -1 1 369.388 2.416 20 0 FEADMM CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736827314 599333070 /nfs/dbraw/zinc/33/30/70/599333070.db2.gz AHBBPCHXZHZBDA-UHFFFAOYSA-N -1 1 363.830 2.341 20 0 FEADMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820703642 599335031 /nfs/dbraw/zinc/33/50/31/599335031.db2.gz JFQSDFXIPZOBSO-CMPLNLGQSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820703642 599335029 /nfs/dbraw/zinc/33/50/29/599335029.db2.gz JFQSDFXIPZOBSO-CMPLNLGQSA-N -1 1 353.423 2.205 20 0 FEADMM CN(CC1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821596816 599335556 /nfs/dbraw/zinc/33/55/56/599335556.db2.gz VYMQJOLUXKRDER-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM CN(CC1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821596816 599335557 /nfs/dbraw/zinc/33/55/57/599335557.db2.gz VYMQJOLUXKRDER-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820711166 599346816 /nfs/dbraw/zinc/34/68/16/599346816.db2.gz VAQCRLLSTQJIHG-VHSXEESVSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820769296 599366446 /nfs/dbraw/zinc/36/64/46/599366446.db2.gz RZQIRESVUARYIK-IUCAKERBSA-N -1 1 373.891 2.035 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820769296 599366449 /nfs/dbraw/zinc/36/64/49/599366449.db2.gz RZQIRESVUARYIK-IUCAKERBSA-N -1 1 373.891 2.035 20 0 FEADMM Cc1cnn(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2F)c1 ZINC000737445362 599379671 /nfs/dbraw/zinc/37/96/71/599379671.db2.gz SWAYEPPPWVNUDJ-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1cnn(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2F)c1 ZINC000737445362 599379674 /nfs/dbraw/zinc/37/96/74/599379674.db2.gz SWAYEPPPWVNUDJ-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM c1cnc(N2CCC[C@@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2)nc1 ZINC000823808998 599484429 /nfs/dbraw/zinc/48/44/29/599484429.db2.gz HCSROCQAHAJCDR-CYBMUJFWSA-N -1 1 373.424 2.286 20 0 FEADMM c1cnc(N2CCC[C@@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)nc1 ZINC000823808998 599484431 /nfs/dbraw/zinc/48/44/31/599484431.db2.gz HCSROCQAHAJCDR-CYBMUJFWSA-N -1 1 373.424 2.286 20 0 FEADMM COC(=O)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)CC(C)C ZINC000821640999 599587724 /nfs/dbraw/zinc/58/77/24/599587724.db2.gz TYWZARCKOINGGO-NSHDSACASA-N -1 1 355.402 2.057 20 0 FEADMM COC(=O)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)CC(C)C ZINC000821640999 599587725 /nfs/dbraw/zinc/58/77/25/599587725.db2.gz TYWZARCKOINGGO-NSHDSACASA-N -1 1 355.402 2.057 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2c(C)cccc2C)c(-c2nn[n-]n2)c1C ZINC000737388709 599605581 /nfs/dbraw/zinc/60/55/81/599605581.db2.gz LIUKWQFYRASLPE-UHFFFAOYSA-N -1 1 369.381 2.489 20 0 FEADMM Cc1csc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000822414573 599627359 /nfs/dbraw/zinc/62/73/59/599627359.db2.gz LCDJXDYWNFGJCK-UHFFFAOYSA-N -1 1 374.426 2.025 20 0 FEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820804467 599688108 /nfs/dbraw/zinc/68/81/08/599688108.db2.gz SSDHJXNUQQOGKF-UHNVWZDZSA-N -1 1 354.745 2.133 20 0 FEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820804467 599688109 /nfs/dbraw/zinc/68/81/09/599688109.db2.gz SSDHJXNUQQOGKF-UHNVWZDZSA-N -1 1 354.745 2.133 20 0 FEADMM CN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@@H]1CCCOC1 ZINC000737399265 599764037 /nfs/dbraw/zinc/76/40/37/599764037.db2.gz FLVDKNVQLWWFAE-NSHDSACASA-N -1 1 352.456 2.232 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736812293 599827447 /nfs/dbraw/zinc/82/74/47/599827447.db2.gz VNKVUCLXJWWCKP-HUUCEWRRSA-N -1 1 363.458 2.325 20 0 FEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000736362695 599844375 /nfs/dbraw/zinc/84/43/75/599844375.db2.gz HYQAPHMVDPVENN-MRXNPFEDSA-N -1 1 351.422 2.199 20 0 FEADMM O=C([O-])c1ccc(CCNC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739429174 599883882 /nfs/dbraw/zinc/88/38/82/599883882.db2.gz CLJCEQDRFYLDOY-UHFFFAOYSA-N -1 1 365.393 2.212 20 0 FEADMM O=C([O-])c1ccc(CCNC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739429174 599883884 /nfs/dbraw/zinc/88/38/84/599883884.db2.gz CLJCEQDRFYLDOY-UHFFFAOYSA-N -1 1 365.393 2.212 20 0 FEADMM CCCOc1ccc2c(c1)CCN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000821134041 607403949 /nfs/dbraw/zinc/40/39/49/607403949.db2.gz LMEGVSQBBQHNFI-UHFFFAOYSA-N -1 1 364.409 2.249 20 0 FEADMM CCCOc1ccc2c(c1)CCN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000821134041 607403950 /nfs/dbraw/zinc/40/39/50/607403950.db2.gz LMEGVSQBBQHNFI-UHFFFAOYSA-N -1 1 364.409 2.249 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1C ZINC000737700759 599925604 /nfs/dbraw/zinc/92/56/04/599925604.db2.gz WGLYTGKHSQHOST-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C([O-])[C@H](CNC(=O)c1c[nH]c2ccccc2c1=O)Cc1cccc(F)c1 ZINC000739410094 599945789 /nfs/dbraw/zinc/94/57/89/599945789.db2.gz YKLJATXNXQAKOM-ZDUSSCGKSA-N -1 1 368.364 2.341 20 0 FEADMM O=C([O-])c1cc(F)ccc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000740080222 599958868 /nfs/dbraw/zinc/95/88/68/599958868.db2.gz ZVYGIUPIVCFNFM-LJQANCHMSA-N -1 1 358.413 2.375 20 0 FEADMM Cc1nc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)sc1C(=O)[O-] ZINC000738864782 599998256 /nfs/dbraw/zinc/99/82/56/599998256.db2.gz CVWOHTGJIIQZIM-ZETCQYMHSA-N -1 1 354.409 2.274 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)N(C)C ZINC000809011343 674478666 /nfs/dbraw/zinc/47/86/66/674478666.db2.gz WMSPISFXQYUOLK-LLVKDONJSA-N -1 1 354.806 2.009 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000739255949 600064063 /nfs/dbraw/zinc/06/40/63/600064063.db2.gz HXLPIMRELPDMDL-UHFFFAOYSA-N -1 1 367.449 2.493 20 0 FEADMM COC(=O)CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000737596336 600224225 /nfs/dbraw/zinc/22/42/25/600224225.db2.gz PDJZQUGTZKBDIV-AWEZNQCLSA-N -1 1 351.399 2.031 20 0 FEADMM O=C([O-])c1ccccc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC000738475383 600275121 /nfs/dbraw/zinc/27/51/21/600275121.db2.gz GMIHFDCMXFIXAW-UHFFFAOYSA-N -1 1 355.379 2.296 20 0 FEADMM CC(C)OCc1cccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736486293 600290816 /nfs/dbraw/zinc/29/08/16/600290816.db2.gz PCQCYXBQWMQMNQ-SFHVURJKSA-N -1 1 374.481 2.415 20 0 FEADMM Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738737815 600296422 /nfs/dbraw/zinc/29/64/22/600296422.db2.gz MDRGKPYRVHYQER-WBVHZDCISA-N -1 1 360.454 2.065 20 0 FEADMM C[C@@H](OCCCNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736700879 600303301 /nfs/dbraw/zinc/30/33/01/600303301.db2.gz OASSPMDSYDFGNM-AEFFLSMTSA-N -1 1 374.481 2.457 20 0 FEADMM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820931910 607441208 /nfs/dbraw/zinc/44/12/08/607441208.db2.gz KEFVQANSGDLTCV-ZDUSSCGKSA-N -1 1 357.439 2.342 20 0 FEADMM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820931910 607441209 /nfs/dbraw/zinc/44/12/09/607441209.db2.gz KEFVQANSGDLTCV-ZDUSSCGKSA-N -1 1 357.439 2.342 20 0 FEADMM CC(C)n1c2ccccc2nc1[C@H]1CCCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736210211 600443365 /nfs/dbraw/zinc/44/33/65/600443365.db2.gz WZOPJVREMNSVTM-CABCVRRESA-N -1 1 372.469 2.386 20 0 FEADMM COc1cccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)N(C)C)c1 ZINC000738092144 600543995 /nfs/dbraw/zinc/54/39/95/600543995.db2.gz NTCAIAGEYYJWOT-HNNXBMFYSA-N -1 1 361.398 2.089 20 0 FEADMM O=C([O-])C1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000739592774 600561999 /nfs/dbraw/zinc/56/19/99/600561999.db2.gz TVTKQCOAZRQWOB-UHFFFAOYSA-N -1 1 363.433 2.296 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000737528345 600564925 /nfs/dbraw/zinc/56/49/25/600564925.db2.gz FOLZHBIMUAUDTQ-UHFFFAOYSA-N -1 1 353.422 2.385 20 0 FEADMM C[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809249098 674488666 /nfs/dbraw/zinc/48/86/66/674488666.db2.gz OYEPEDPYINRFRF-JUFZMCDQSA-N -1 1 350.381 2.107 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000831434902 600688353 /nfs/dbraw/zinc/68/83/53/600688353.db2.gz JXOPFZDHRDJIAY-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CCN1C ZINC000828167544 600760281 /nfs/dbraw/zinc/76/02/81/600760281.db2.gz HZQKHWXRESUWDA-PWSUYJOCSA-N -1 1 360.863 2.141 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)c2=O)[nH+]1 ZINC000832962611 600780607 /nfs/dbraw/zinc/78/06/07/600780607.db2.gz ZAFUQCDNBBDTTQ-CQSZACIVSA-N -1 1 351.362 2.242 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)cc1C(=O)[O-] ZINC000624537473 600814863 /nfs/dbraw/zinc/81/48/63/600814863.db2.gz ZXIXUCCHDSGRGH-UHFFFAOYSA-N -1 1 372.406 2.134 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(Cl)[nH]n1 ZINC000826340734 607471957 /nfs/dbraw/zinc/47/19/57/607471957.db2.gz ITCHMOYYYAXMRW-UHFFFAOYSA-N -1 1 358.749 2.188 20 0 FEADMM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000740306230 600899015 /nfs/dbraw/zinc/89/90/15/600899015.db2.gz TXYWGZVWMBIFRW-UHFFFAOYSA-N -1 1 352.393 2.132 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)C12CCCC2 ZINC000829918553 601016544 /nfs/dbraw/zinc/01/65/44/601016544.db2.gz RYVRDMDIADQONT-DLTWYDFYSA-N -1 1 354.491 2.272 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)CCCCC1 ZINC000833105538 601043400 /nfs/dbraw/zinc/04/34/00/601043400.db2.gz KMYUSJVRNNVWDL-QZTJIDSGSA-N -1 1 374.481 2.478 20 0 FEADMM Cc1ccc(SCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000630222595 601090396 /nfs/dbraw/zinc/09/03/96/601090396.db2.gz GIHFYRIWPLWMKZ-HNNXBMFYSA-N -1 1 350.484 2.485 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccnc(Oc3ccccc3)c2)CC1 ZINC000630222138 601094259 /nfs/dbraw/zinc/09/42/59/601094259.db2.gz DAXINEZDXIGFHR-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)c3ccc(C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000647174077 601100873 /nfs/dbraw/zinc/10/08/73/601100873.db2.gz MOPQVTNBGVQDMP-CYBMUJFWSA-N -1 1 358.398 2.014 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3ccc(C(=O)[O-])cc3)CCO2)[nH]1 ZINC000647174077 601100874 /nfs/dbraw/zinc/10/08/74/601100874.db2.gz MOPQVTNBGVQDMP-CYBMUJFWSA-N -1 1 358.398 2.014 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000630223585 601107079 /nfs/dbraw/zinc/10/70/79/601107079.db2.gz JYEPNAZWDAROED-LLVKDONJSA-N -1 1 360.332 2.206 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc3c(s2)CCCCC3)CC1 ZINC000827375505 601126424 /nfs/dbraw/zinc/12/64/24/601126424.db2.gz XPDNIMLVDPCCOH-GFCCVEGCSA-N -1 1 366.487 2.425 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1Cl ZINC000833318709 601131175 /nfs/dbraw/zinc/13/11/75/601131175.db2.gz CFDKVTQEMXOCNV-LBPRGKRZSA-N -1 1 367.833 2.224 20 0 FEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000833297317 601131725 /nfs/dbraw/zinc/13/17/25/601131725.db2.gz FQVPSRJFRHMAOE-LBPRGKRZSA-N -1 1 367.833 2.224 20 0 FEADMM CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1C ZINC000829758924 601249557 /nfs/dbraw/zinc/24/95/57/601249557.db2.gz DWBRSDXTXIDRGF-PPEJIECUSA-N -1 1 366.483 2.278 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC(c3nnc[nH]3)CC2)c(Cl)c1 ZINC000833321286 601330385 /nfs/dbraw/zinc/33/03/85/601330385.db2.gz QEWFFFCDCDMREE-UHFFFAOYSA-N -1 1 350.806 2.415 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nc[nH]n1 ZINC000558326806 674491552 /nfs/dbraw/zinc/49/15/52/674491552.db2.gz WOVZVTHLRNIJMQ-SCSAIBSYSA-N -1 1 371.669 2.322 20 0 FEADMM CS(=O)(=O)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000832681629 601380293 /nfs/dbraw/zinc/38/02/93/601380293.db2.gz FNZADZCEYNHGLZ-INIZCTEOSA-N -1 1 351.399 2.286 20 0 FEADMM CC(C)Cn1cnc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000826924816 601386664 /nfs/dbraw/zinc/38/66/64/601386664.db2.gz PJZJGYLYXLVYMX-UHFFFAOYSA-N -1 1 359.354 2.316 20 0 FEADMM Cc1nc(C[C@@H]2CCCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)no1 ZINC000832998048 601399132 /nfs/dbraw/zinc/39/91/32/601399132.db2.gz BTDLVNRGIRVMHX-ZDUSSCGKSA-N -1 1 355.398 2.338 20 0 FEADMM O=C([O-])c1nn(CN2CCC[C@H](C(=O)N3CCCC3)C2)c2ccccc21 ZINC000833345976 601400978 /nfs/dbraw/zinc/40/09/78/601400978.db2.gz CMRPZIPABGVRCM-AWEZNQCLSA-N -1 1 356.426 2.026 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000111254876 601505994 /nfs/dbraw/zinc/50/59/94/601505994.db2.gz FROOUJIIIHQIBD-ZYHUDNBSSA-N -1 1 355.232 2.349 20 0 FEADMM CCCCOC(=O)c1ccc(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000829401109 601521983 /nfs/dbraw/zinc/52/19/83/601521983.db2.gz CUFJZHVSGNEBNF-CZUORRHYSA-N -1 1 362.426 2.235 20 0 FEADMM C[C@@H]1CN(CC(=O)N[C@@H](c2nccs2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828433441 601536573 /nfs/dbraw/zinc/53/65/73/601536573.db2.gz VAHNSENQKTXUTP-IVMMDQJWSA-N -1 1 359.451 2.001 20 0 FEADMM O=C([O-])[C@@H]1c2ccccc2CCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000662232730 601544550 /nfs/dbraw/zinc/54/45/50/601544550.db2.gz JTZODZSELDRANU-BBRMVZONSA-N -1 1 370.371 2.471 20 0 FEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCC1OCCCO1)CC2 ZINC000832103131 601592820 /nfs/dbraw/zinc/59/28/20/601592820.db2.gz LKUFNQJTUWOSMF-OAHLLOKOSA-N -1 1 365.426 2.231 20 0 FEADMM C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1C(=O)[O-] ZINC000828413412 601717394 /nfs/dbraw/zinc/71/73/94/601717394.db2.gz RDVFLTQLYFCLFG-XVKPBYJWSA-N -1 1 352.188 2.118 20 0 FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000830603978 601800011 /nfs/dbraw/zinc/80/00/11/601800011.db2.gz BZLQVNKNNKNTBJ-UHFFFAOYSA-N -1 1 368.499 2.411 20 0 FEADMM CN(C[C@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1)C(=O)[O-] ZINC000739637068 601855396 /nfs/dbraw/zinc/85/53/96/601855396.db2.gz NUWNOIUJMPVRQT-ZIUDEIKKSA-N -1 1 363.502 2.393 20 0 FEADMM CN(C)[C@@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739601237 601876822 /nfs/dbraw/zinc/87/68/22/601876822.db2.gz DEHMUGAXOTTWSM-BCLQGDPASA-N -1 1 351.422 2.371 20 0 FEADMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2F)c(F)c1 ZINC000547545123 601985485 /nfs/dbraw/zinc/98/54/85/601985485.db2.gz CZPGOIFZHOGDNJ-ZDUSSCGKSA-N -1 1 370.308 2.080 20 0 FEADMM Cc1ccc(-n2nnnc2SCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000826281530 607539036 /nfs/dbraw/zinc/53/90/36/607539036.db2.gz XIRACAAGUJBPMA-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM Cc1ccc(-n2nnnc2SCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000826281530 607539037 /nfs/dbraw/zinc/53/90/37/607539037.db2.gz XIRACAAGUJBPMA-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccsc1 ZINC000739607723 602086981 /nfs/dbraw/zinc/08/69/81/602086981.db2.gz KHLKCYTXKJCNNF-GXTWGEPZSA-N -1 1 354.476 2.040 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000558431026 674495103 /nfs/dbraw/zinc/49/51/03/674495103.db2.gz DGCZPYILBDXPNO-HUUCEWRRSA-N -1 1 365.455 2.542 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739608253 602105646 /nfs/dbraw/zinc/10/56/46/602105646.db2.gz NWFXHPRFGIMYKY-HOTGVXAUSA-N -1 1 366.437 2.212 20 0 FEADMM C[C@H](Oc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1)C(=O)[O-] ZINC000827884352 602126968 /nfs/dbraw/zinc/12/69/68/602126968.db2.gz IIZBXRVSZIOZTB-BONVTDFDSA-N -1 1 351.366 2.385 20 0 FEADMM Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826257634 607549567 /nfs/dbraw/zinc/54/95/67/607549567.db2.gz JYXGCTMQBRJGFN-UHFFFAOYSA-N -1 1 363.425 2.418 20 0 FEADMM Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826257634 607549569 /nfs/dbraw/zinc/54/95/69/607549569.db2.gz JYXGCTMQBRJGFN-UHFFFAOYSA-N -1 1 363.425 2.418 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000739009471 602261455 /nfs/dbraw/zinc/26/14/55/602261455.db2.gz LYGANLJUZVUCOI-XQQFMLRXSA-N -1 1 365.396 2.298 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c1 ZINC000739947970 602273354 /nfs/dbraw/zinc/27/33/54/602273354.db2.gz UPIAKKJMEMTTND-RHSMWYFYSA-N -1 1 363.458 2.164 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000740688672 602378460 /nfs/dbraw/zinc/37/84/60/602378460.db2.gz XMZFHRIFCOOTHJ-IBGZPJMESA-N -1 1 367.449 2.040 20 0 FEADMM C[C@@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738915756 602383461 /nfs/dbraw/zinc/38/34/61/602383461.db2.gz PAYUOTUTGKEFKQ-NXVRBGIVSA-N -1 1 359.470 2.376 20 0 FEADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738615755 602436432 /nfs/dbraw/zinc/43/64/32/602436432.db2.gz PDMIASZCYDKMNX-CVEARBPZSA-N -1 1 359.470 2.282 20 0 FEADMM CCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739342456 602516625 /nfs/dbraw/zinc/51/66/25/602516625.db2.gz JDEYIENAILUHIQ-ZDUSSCGKSA-N -1 1 374.445 2.032 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)c(C)c1 ZINC000740064999 602528631 /nfs/dbraw/zinc/52/86/31/602528631.db2.gz YDDGLPJRBKQUOF-KRWDZBQOSA-N -1 1 361.486 2.202 20 0 FEADMM Cc1[nH]c(SCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)nc1Cc1ccccc1 ZINC000740036058 602532871 /nfs/dbraw/zinc/53/28/71/602532871.db2.gz UYRJKNRARPYJGH-CQSZACIVSA-N -1 1 374.466 2.270 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738627390 602534552 /nfs/dbraw/zinc/53/45/52/602534552.db2.gz GVRZYULRBLCKOZ-QWHCGFSZSA-N -1 1 353.850 2.276 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1Cl ZINC000738963072 602538254 /nfs/dbraw/zinc/53/82/54/602538254.db2.gz VSZAVFAZERKVEA-QWHCGFSZSA-N -1 1 353.850 2.449 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccccc1F)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739348159 602545110 /nfs/dbraw/zinc/54/51/10/602545110.db2.gz GYBRNAKBYUEQQB-OAHLLOKOSA-N -1 1 351.422 2.248 20 0 FEADMM Cc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740170105 602550879 /nfs/dbraw/zinc/55/08/79/602550879.db2.gz LUPRPJMBRPINSZ-QZTJIDSGSA-N -1 1 359.470 2.466 20 0 FEADMM O=C([O-])NCCc1ccc(CNC(=O)c2nnc3ccccc3c2O)cc1 ZINC000740672554 602591141 /nfs/dbraw/zinc/59/11/41/602591141.db2.gz JNNPWUCITQKQQP-UHFFFAOYSA-N -1 1 366.377 2.076 20 0 FEADMM C[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824929783 607585352 /nfs/dbraw/zinc/58/53/52/607585352.db2.gz ZARGELMVGZEBQH-UWVGGRQHSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824929783 607585353 /nfs/dbraw/zinc/58/53/53/607585353.db2.gz ZARGELMVGZEBQH-UWVGGRQHSA-N -1 1 355.851 2.377 20 0 FEADMM CC(C)N(CC1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824288472 607586592 /nfs/dbraw/zinc/58/65/92/607586592.db2.gz HZFDTDJFWCNMPI-UHFFFAOYSA-N -1 1 355.851 2.329 20 0 FEADMM CC(C)N(CC1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824288472 607586594 /nfs/dbraw/zinc/58/65/94/607586594.db2.gz HZFDTDJFWCNMPI-UHFFFAOYSA-N -1 1 355.851 2.329 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634237949 677073223 /nfs/dbraw/zinc/07/32/23/677073223.db2.gz PIXMWWWKDNCFFS-OIBJUYFYSA-N -1 1 368.149 2.398 20 0 FEADMM O=C([O-])N1CCCC[C@H](NC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000740405446 602883971 /nfs/dbraw/zinc/88/39/71/602883971.db2.gz HMZLBYKTNAYAME-GJZGRUSLSA-N -1 1 364.446 2.248 20 0 FEADMM C[C@H]1CN(C(=O)c2cccc(Br)c2O)C[C@H](C)N1C(=O)[O-] ZINC000739164362 602907004 /nfs/dbraw/zinc/90/70/04/602907004.db2.gz CDDWENCYEQLTRM-IUCAKERBSA-N -1 1 357.204 2.368 20 0 FEADMM C[C@H]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824925478 607595109 /nfs/dbraw/zinc/59/51/09/607595109.db2.gz DASKIHHPTVCUDO-QWRGUYRKSA-N -1 1 353.423 2.110 20 0 FEADMM O=C([O-])NC[C@H](C(=O)Nc1ccn(-c2ccncc2)n1)c1ccccc1 ZINC000832415674 602937608 /nfs/dbraw/zinc/93/76/08/602937608.db2.gz PWOWLFJCOAQFQP-HNNXBMFYSA-N -1 1 351.366 2.257 20 0 FEADMM Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826294248 607596534 /nfs/dbraw/zinc/59/65/34/607596534.db2.gz MQNJPZFMAGDPED-OAHLLOKOSA-N -1 1 373.413 2.280 20 0 FEADMM C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824936347 607596639 /nfs/dbraw/zinc/59/66/39/607596639.db2.gz GOMMJGUBIJOGRG-WDEREUQCSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824936347 607596642 /nfs/dbraw/zinc/59/66/42/607596642.db2.gz GOMMJGUBIJOGRG-WDEREUQCSA-N -1 1 353.423 2.110 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1CCOC ZINC000736939657 602996621 /nfs/dbraw/zinc/99/66/21/602996621.db2.gz PTFIASSDZBUTEC-OAHLLOKOSA-N -1 1 350.419 2.351 20 0 FEADMM Cc1noc(C)c1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000740265024 603058983 /nfs/dbraw/zinc/05/89/83/603058983.db2.gz QFMDEBCOCLBRQV-UHFFFAOYSA-N -1 1 356.342 2.096 20 0 FEADMM Cc1noc(C)c1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000740265024 603058989 /nfs/dbraw/zinc/05/89/89/603058989.db2.gz QFMDEBCOCLBRQV-UHFFFAOYSA-N -1 1 356.342 2.096 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCc3ccccn3)cc2)n1 ZINC000740681376 603060818 /nfs/dbraw/zinc/06/08/18/603060818.db2.gz IUAFSLXVTWHVJF-UHFFFAOYSA-N -1 1 366.381 2.206 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCc3ccccn3)cc2)n[nH]1 ZINC000740681376 603060820 /nfs/dbraw/zinc/06/08/20/603060820.db2.gz IUAFSLXVTWHVJF-UHFFFAOYSA-N -1 1 366.381 2.206 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000739960658 603180800 /nfs/dbraw/zinc/18/08/00/603180800.db2.gz AZXCSSOSSXAYGO-CPUCHLNUSA-N -1 1 361.442 2.089 20 0 FEADMM COc1ccc([C@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)N2CCCC2)cc1 ZINC000737958070 603181840 /nfs/dbraw/zinc/18/18/40/603181840.db2.gz WLFRIRAPQPZWQK-IRXDYDNUSA-N -1 1 363.458 2.241 20 0 FEADMM C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824929141 607618481 /nfs/dbraw/zinc/61/84/81/607618481.db2.gz WITJTNSTBBBBAC-UWVGGRQHSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824929141 607618482 /nfs/dbraw/zinc/61/84/82/607618482.db2.gz WITJTNSTBBBBAC-UWVGGRQHSA-N -1 1 353.423 2.109 20 0 FEADMM CN(Cc1ccc(Br)c(F)c1)C(=O)CCCc1nn[n-]n1 ZINC000635853247 677108393 /nfs/dbraw/zinc/10/83/93/677108393.db2.gz MXWNTRNXZAUGFO-UHFFFAOYSA-N -1 1 356.199 2.083 20 0 FEADMM C[C@@H](CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738898802 603355322 /nfs/dbraw/zinc/35/53/22/603355322.db2.gz BBDAUHUDVOHFNR-UONOGXRCSA-N -1 1 352.435 2.152 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CCC([C@@H](C)NC(=O)[O-])CC3)[nH]c2c1 ZINC000830434057 603468065 /nfs/dbraw/zinc/46/80/65/603468065.db2.gz ZKNSVEGLQCAKLQ-GFCCVEGCSA-N -1 1 359.430 2.449 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C[C@@H]3CCCCO3)cc2)n1 ZINC000832729906 603473147 /nfs/dbraw/zinc/47/31/47/603473147.db2.gz KCSBGZOQHHAUPP-ZDUSSCGKSA-N -1 1 359.386 2.137 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C[C@@H]3CCCCO3)cc2)n[nH]1 ZINC000832729906 603473149 /nfs/dbraw/zinc/47/31/49/603473149.db2.gz KCSBGZOQHHAUPP-ZDUSSCGKSA-N -1 1 359.386 2.137 20 0 FEADMM Cc1ccc(NC(=O)NC(=O)CN(C)CC(C)(C)CNC(=O)[O-])c(C)c1 ZINC000830388372 603630518 /nfs/dbraw/zinc/63/05/18/603630518.db2.gz VZBIYWDTXBQVGU-UHFFFAOYSA-N -1 1 364.446 2.177 20 0 FEADMM Cc1oc(NC(=O)CN(C)c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000826341893 607643232 /nfs/dbraw/zinc/64/32/32/607643232.db2.gz SJJNGBIWJTYXSL-UHFFFAOYSA-N -1 1 362.340 2.430 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000824640433 607645259 /nfs/dbraw/zinc/64/52/59/607645259.db2.gz IMYBNFNZXGMVII-SNVBAGLBSA-N -1 1 353.423 2.253 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000824640433 607645261 /nfs/dbraw/zinc/64/52/61/607645261.db2.gz IMYBNFNZXGMVII-SNVBAGLBSA-N -1 1 353.423 2.253 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1ccsc1 ZINC000828200769 603688743 /nfs/dbraw/zinc/68/87/43/603688743.db2.gz ZRTNXXGGPQVERU-KBPBESRZSA-N -1 1 354.476 2.135 20 0 FEADMM CCSCC[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825669169 607657714 /nfs/dbraw/zinc/65/77/14/607657714.db2.gz RPGDOOJXFSCCSZ-JTQLQIEISA-N -1 1 373.479 2.158 20 0 FEADMM CCSCC[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825669169 607657715 /nfs/dbraw/zinc/65/77/15/607657715.db2.gz RPGDOOJXFSCCSZ-JTQLQIEISA-N -1 1 373.479 2.158 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(CNC(=O)[O-])o2)CN1Cc1ccccc1 ZINC000825852872 603967075 /nfs/dbraw/zinc/96/70/75/603967075.db2.gz RPDWXGUNSGIATG-UKRRQHHQSA-N -1 1 357.410 2.440 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2ccc(CNC(=O)[O-])o2)CN1Cc1ccccc1 ZINC000825852873 603967206 /nfs/dbraw/zinc/96/72/06/603967206.db2.gz RPDWXGUNSGIATG-ZFWWWQNUSA-N -1 1 357.410 2.440 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000827993180 603969998 /nfs/dbraw/zinc/96/99/98/603969998.db2.gz AUEBEHMIGGERTO-RRFJBIMHSA-N -1 1 353.850 2.495 20 0 FEADMM COc1ccc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1Cl ZINC000829453444 603995382 /nfs/dbraw/zinc/99/53/82/603995382.db2.gz GZILDPCIHHNNKM-UHFFFAOYSA-N -1 1 355.822 2.361 20 0 FEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000824959378 604045500 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FEADMM CCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825247666 607671709 /nfs/dbraw/zinc/67/17/09/607671709.db2.gz FTPMZRRMEAXQCZ-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000824874061 604129218 /nfs/dbraw/zinc/12/92/18/604129218.db2.gz MUKXWYUZIFOCID-ZDUSSCGKSA-N -1 1 351.472 2.420 20 0 FEADMM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000824832963 604138012 /nfs/dbraw/zinc/13/80/12/604138012.db2.gz LAAZQHHZDPBSDE-CYBMUJFWSA-N -1 1 371.441 2.424 20 0 FEADMM C[C@H](NC(=O)CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1)c1ccc(F)cc1 ZINC000825121685 604165775 /nfs/dbraw/zinc/16/57/75/604165775.db2.gz OALLLVKLEIKCMD-YDHLFZDLSA-N -1 1 351.422 2.371 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000825256449 604166921 /nfs/dbraw/zinc/16/69/21/604166921.db2.gz XWQLXBAWGCZBOI-MELADBBJSA-N -1 1 353.488 2.163 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000825267490 604242342 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1 365.499 2.288 20 0 FEADMM O=C([O-])c1ccccc1CCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000833763999 604885029 /nfs/dbraw/zinc/88/50/29/604885029.db2.gz RFVAWMHWVKOVPB-UHFFFAOYSA-N -1 1 367.449 2.493 20 0 FEADMM O=C([O-])c1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1F ZINC000833129654 604941841 /nfs/dbraw/zinc/94/18/41/604941841.db2.gz OIMAOKIVDAGQQO-UHFFFAOYSA-N -1 1 357.385 2.313 20 0 FEADMM CC(=O)c1cccc(OC[C@H](O)CN2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000567478958 604951143 /nfs/dbraw/zinc/95/11/43/604951143.db2.gz HHAZNQHEDPWSCP-XLIONFOSSA-N -1 1 369.417 2.313 20 0 FEADMM CC(C)C[C@@H]1CCN([C@@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833483048 605000525 /nfs/dbraw/zinc/00/05/25/605000525.db2.gz KNJMVAPFHGSNQY-WCQYABFASA-N -1 1 350.440 2.446 20 0 FEADMM COCC1(C)CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000833722738 605021631 /nfs/dbraw/zinc/02/16/31/605021631.db2.gz GFNNTTWNWDTPJN-ZDUSSCGKSA-N -1 1 352.456 2.300 20 0 FEADMM CC(C)c1nc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[nH]1 ZINC000833512797 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2.166 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C[C@@H]1C ZINC000833655159 605161597 /nfs/dbraw/zinc/16/15/97/605161597.db2.gz AOPOGILUGKYPHW-NWDGAFQWSA-N -1 1 363.414 2.118 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000833626906 605166214 /nfs/dbraw/zinc/16/62/14/605166214.db2.gz SBFJVISBWVZXJK-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])N1CCC[C@H](C)C1 ZINC000833614632 605171448 /nfs/dbraw/zinc/17/14/48/605171448.db2.gz QSWOLQCZYUJRMX-NWDGAFQWSA-N -1 1 374.890 2.437 20 0 FEADMM C[C@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000833623540 605173433 /nfs/dbraw/zinc/17/34/33/605173433.db2.gz QUYDAEZMQBZZNS-HOTGVXAUSA-N -1 1 374.485 2.433 20 0 FEADMM C[C@@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000833623538 605173540 /nfs/dbraw/zinc/17/35/40/605173540.db2.gz QUYDAEZMQBZZNS-CVEARBPZSA-N -1 1 374.485 2.433 20 0 FEADMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CCN1C 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373.497 2.348 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)c3ccccc3F)CC2)O1 ZINC000833576849 605315350 /nfs/dbraw/zinc/31/53/50/605315350.db2.gz AKFNHECPIMMIEG-AWEZNQCLSA-N -1 1 362.401 2.121 20 0 FEADMM C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000824916086 607747793 /nfs/dbraw/zinc/74/77/93/607747793.db2.gz JHBGTHSQSWIROK-XHDPSFHLSA-N -1 1 370.438 2.179 20 0 FEADMM C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000824916086 607747794 /nfs/dbraw/zinc/74/77/94/607747794.db2.gz JHBGTHSQSWIROK-XHDPSFHLSA-N -1 1 370.438 2.179 20 0 FEADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000834026862 605515151 /nfs/dbraw/zinc/51/51/51/605515151.db2.gz NPZNUMMHIPZFLR-RHSMWYFYSA-N -1 1 363.433 2.296 20 0 FEADMM O=C([O-])NC[C@@H]1CCN(Cc2ccccc2I)C1 ZINC000834224671 605573434 /nfs/dbraw/zinc/57/34/34/605573434.db2.gz DHDABOJXKVKWKJ-JTQLQIEISA-N -1 1 360.195 2.381 20 0 FEADMM O=C([O-])NC1CCC(NCc2nnc3n2CCC[C@@H]3C(F)(F)F)CC1 ZINC000834162839 605620857 /nfs/dbraw/zinc/62/08/57/605620857.db2.gz BJJZWEGHDHBHMW-ILDUYXDCSA-N -1 1 361.368 2.386 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)n[nH]2)cc1 ZINC000829234355 605756720 /nfs/dbraw/zinc/75/67/20/605756720.db2.gz MJPQPTNDTXXJPG-WCQYABFASA-N -1 1 358.398 2.346 20 0 FEADMM O=C([O-])N1CCC(C(=O)N[C@@H]2CCc3nc[nH]c3C2)(c2ccccc2)CC1 ZINC000834075912 605833582 /nfs/dbraw/zinc/83/35/82/605833582.db2.gz VAUZSEHOHYZVTA-OAHLLOKOSA-N -1 1 368.437 2.095 20 0 FEADMM CC(C)(C)c1ccc(S(=O)(=O)CCN[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000823858804 605850405 /nfs/dbraw/zinc/85/04/05/605850405.db2.gz CLLDRXQOEXZZGS-AWEZNQCLSA-N -1 1 354.472 2.100 20 0 FEADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000834252405 605859896 /nfs/dbraw/zinc/85/98/96/605859896.db2.gz GTFYISYQOWYSJB-YJBOKZPZSA-N -1 1 370.453 2.043 20 0 FEADMM O=C([O-])NCC1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000834226025 605875098 /nfs/dbraw/zinc/87/50/98/605875098.db2.gz SZCRNAZORJAJHQ-CQSZACIVSA-N -1 1 357.248 2.462 20 0 FEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C1 ZINC000834121400 605877952 /nfs/dbraw/zinc/87/79/52/605877952.db2.gz QUSREFKWSTZXGY-UHFFFAOYSA-N -1 1 369.349 2.197 20 0 FEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833831193 605898741 /nfs/dbraw/zinc/89/87/41/605898741.db2.gz MLFRTWMJKKNGJH-JHJVBQTASA-N -1 1 369.412 2.462 20 0 FEADMM O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000834257113 605991748 /nfs/dbraw/zinc/99/17/48/605991748.db2.gz SVGLFMXGKCLSEW-ZDUSSCGKSA-N -1 1 366.381 2.463 20 0 FEADMM O=C([O-])N1CC(OCCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000833992335 606099958 /nfs/dbraw/zinc/09/99/58/606099958.db2.gz AIQISBLAGZQRCX-UHFFFAOYSA-N -1 1 354.313 2.208 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821447333 606102993 /nfs/dbraw/zinc/10/29/93/606102993.db2.gz JGDXZNMRGQAYPU-WUGBYWSNSA-N -1 1 354.867 2.407 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821447333 606102996 /nfs/dbraw/zinc/10/29/96/606102996.db2.gz JGDXZNMRGQAYPU-WUGBYWSNSA-N -1 1 354.867 2.407 20 0 FEADMM CCO[C@@H](C)c1noc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810066293 674528717 /nfs/dbraw/zinc/52/87/17/674528717.db2.gz JVAFKZSSMGHTRC-WDEREUQCSA-N -1 1 364.368 2.058 20 0 FEADMM CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820087644 606131774 /nfs/dbraw/zinc/13/17/74/606131774.db2.gz VFCVPBPBVIMOQC-UHFFFAOYSA-N -1 1 365.459 2.226 20 0 FEADMM CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820087644 606131776 /nfs/dbraw/zinc/13/17/76/606131776.db2.gz VFCVPBPBVIMOQC-UHFFFAOYSA-N -1 1 365.459 2.226 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)Cc1ccccc1 ZINC000820508788 606137037 /nfs/dbraw/zinc/13/70/37/606137037.db2.gz XREWYAZWIDNJLZ-LLVKDONJSA-N -1 1 371.422 2.132 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)Cc1ccccc1 ZINC000820508788 606137038 /nfs/dbraw/zinc/13/70/38/606137038.db2.gz XREWYAZWIDNJLZ-LLVKDONJSA-N -1 1 371.422 2.132 20 0 FEADMM Cn1cc(C[C@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)cn1 ZINC000822674398 606138312 /nfs/dbraw/zinc/13/83/12/606138312.db2.gz RXOPUBZTTFLYLB-CYBMUJFWSA-N -1 1 360.425 2.217 20 0 FEADMM Cn1cc(C[C@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)cn1 ZINC000822674398 606138313 /nfs/dbraw/zinc/13/83/13/606138313.db2.gz RXOPUBZTTFLYLB-CYBMUJFWSA-N -1 1 360.425 2.217 20 0 FEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820697767 606138982 /nfs/dbraw/zinc/13/89/82/606138982.db2.gz LWLGFFSBFSNBMV-GHMZBOCLSA-N -1 1 363.443 2.122 20 0 FEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697767 606138985 /nfs/dbraw/zinc/13/89/85/606138985.db2.gz LWLGFFSBFSNBMV-GHMZBOCLSA-N -1 1 363.443 2.122 20 0 FEADMM Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822361723 606140768 /nfs/dbraw/zinc/14/07/68/606140768.db2.gz HPBGJHFGIWZOBX-JTQLQIEISA-N -1 1 357.395 2.421 20 0 FEADMM Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822361723 606140769 /nfs/dbraw/zinc/14/07/69/606140769.db2.gz HPBGJHFGIWZOBX-JTQLQIEISA-N -1 1 357.395 2.421 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)nc2Cl)no1 ZINC000810091779 674531197 /nfs/dbraw/zinc/53/11/97/674531197.db2.gz HZPKJXDXSFHBPT-SECBINFHSA-N -1 1 360.823 2.002 20 0 FEADMM CCCOc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821128658 606156859 /nfs/dbraw/zinc/15/68/59/606156859.db2.gz YRWKASDXHAENFA-NSHDSACASA-N -1 1 370.417 2.272 20 0 FEADMM CCCOc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821128658 606156861 /nfs/dbraw/zinc/15/68/61/606156861.db2.gz YRWKASDXHAENFA-NSHDSACASA-N -1 1 370.417 2.272 20 0 FEADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1noc(Cc2ccccc2)n1 ZINC000820431458 606203042 /nfs/dbraw/zinc/20/30/42/606203042.db2.gz FVLBCUUQGFDFQX-LLVKDONJSA-N -1 1 351.370 2.284 20 0 FEADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1noc(Cc2ccccc2)n1 ZINC000820431458 606203044 /nfs/dbraw/zinc/20/30/44/606203044.db2.gz FVLBCUUQGFDFQX-LLVKDONJSA-N -1 1 351.370 2.284 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)c1cnccn1 ZINC000822542047 606206158 /nfs/dbraw/zinc/20/61/58/606206158.db2.gz TWSCOKLHZNNGJY-JTQLQIEISA-N -1 1 365.353 2.267 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)c1cnccn1 ZINC000822542047 606206160 /nfs/dbraw/zinc/20/61/60/606206160.db2.gz TWSCOKLHZNNGJY-JTQLQIEISA-N -1 1 365.353 2.267 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccc(C)c(C)c2)c1-c1nnn[n-]1 ZINC000822263440 606236773 /nfs/dbraw/zinc/23/67/73/606236773.db2.gz OVWWGLSMHSRZCM-UHFFFAOYSA-N -1 1 358.427 2.290 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccc(C)c(C)c2)c1-c1nn[n-]n1 ZINC000822263440 606236775 /nfs/dbraw/zinc/23/67/75/606236775.db2.gz OVWWGLSMHSRZCM-UHFFFAOYSA-N -1 1 358.427 2.290 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cccc(O)c1)CC1CC1 ZINC000823478580 606275218 /nfs/dbraw/zinc/27/52/18/606275218.db2.gz MNIMUJQSVVKBSU-UHFFFAOYSA-N -1 1 350.382 2.020 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cccc(O)c1)CC1CC1 ZINC000823478580 606275220 /nfs/dbraw/zinc/27/52/20/606275220.db2.gz MNIMUJQSVVKBSU-UHFFFAOYSA-N -1 1 350.382 2.020 20 0 FEADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820641329 606345347 /nfs/dbraw/zinc/34/53/47/606345347.db2.gz BVEKDPYRLCPVCD-AAEUAGOBSA-N -1 1 352.402 2.010 20 0 FEADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820641329 606345349 /nfs/dbraw/zinc/34/53/49/606345349.db2.gz BVEKDPYRLCPVCD-AAEUAGOBSA-N -1 1 352.402 2.010 20 0 FEADMM CN(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000821600521 606529309 /nfs/dbraw/zinc/52/93/09/606529309.db2.gz QKIFXNKHNIREHS-UHFFFAOYSA-N -1 1 360.418 2.324 20 0 FEADMM CN(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000821600521 606529311 /nfs/dbraw/zinc/52/93/11/606529311.db2.gz QKIFXNKHNIREHS-UHFFFAOYSA-N -1 1 360.418 2.324 20 0 FEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)cc1F ZINC000819810823 606535753 /nfs/dbraw/zinc/53/57/53/606535753.db2.gz QYEDMTMRRRDDCC-UHFFFAOYSA-N -1 1 364.337 2.417 20 0 FEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)cc1F ZINC000819810823 606535754 /nfs/dbraw/zinc/53/57/54/606535754.db2.gz QYEDMTMRRRDDCC-UHFFFAOYSA-N -1 1 364.337 2.417 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000823484235 606548631 /nfs/dbraw/zinc/54/86/31/606548631.db2.gz UOQGGTRHCHPFQN-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000823484235 606548632 /nfs/dbraw/zinc/54/86/32/606548632.db2.gz UOQGGTRHCHPFQN-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821882692 606572906 /nfs/dbraw/zinc/57/29/06/606572906.db2.gz ICNFYXNUHUTDRI-WMLDXEAASA-N -1 1 355.423 2.397 20 0 FEADMM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821882692 606572908 /nfs/dbraw/zinc/57/29/08/606572908.db2.gz ICNFYXNUHUTDRI-WMLDXEAASA-N -1 1 355.423 2.397 20 0 FEADMM O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823346700 606592055 /nfs/dbraw/zinc/59/20/55/606592055.db2.gz PGZBJILISIONSE-UHFFFAOYSA-N -1 1 370.438 2.142 20 0 FEADMM O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823346700 606592057 /nfs/dbraw/zinc/59/20/57/606592057.db2.gz PGZBJILISIONSE-UHFFFAOYSA-N -1 1 370.438 2.142 20 0 FEADMM O=C(CCCCCNc1nccnc1-c1nnn[n-]1)OCc1ccccc1 ZINC000822955361 606593288 /nfs/dbraw/zinc/59/32/88/606593288.db2.gz RHPNPNZWJBFMDE-UHFFFAOYSA-N -1 1 367.413 2.372 20 0 FEADMM O=C(CCCCCNc1nccnc1-c1nn[n-]n1)OCc1ccccc1 ZINC000822955361 606593289 /nfs/dbraw/zinc/59/32/89/606593289.db2.gz RHPNPNZWJBFMDE-UHFFFAOYSA-N -1 1 367.413 2.372 20 0 FEADMM CC(C)Oc1cccc([C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820178602 606598082 /nfs/dbraw/zinc/59/80/82/606598082.db2.gz VSRHVZXKUASNSF-CYBMUJFWSA-N -1 1 373.438 2.179 20 0 FEADMM CC(C)Oc1cccc([C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820178602 606598083 /nfs/dbraw/zinc/59/80/83/606598083.db2.gz VSRHVZXKUASNSF-CYBMUJFWSA-N -1 1 373.438 2.179 20 0 FEADMM Cc1ccccc1NC(=O)Cc1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822361670 606620466 /nfs/dbraw/zinc/62/04/66/606620466.db2.gz FPTAKVVZRAHDIM-UHFFFAOYSA-N -1 1 367.394 2.468 20 0 FEADMM Cc1ccccc1NC(=O)Cc1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822361670 606620467 /nfs/dbraw/zinc/62/04/67/606620467.db2.gz FPTAKVVZRAHDIM-UHFFFAOYSA-N -1 1 367.394 2.468 20 0 FEADMM Cc1oc(NC(=O)COC(=O)/C=C2/CC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548358 606635943 /nfs/dbraw/zinc/63/59/43/606635943.db2.gz JJJWSGDHLDGLLJ-JBBGTMGVSA-N -1 1 359.386 2.305 20 0 FEADMM Cc1nonc1CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000810417117 674543863 /nfs/dbraw/zinc/54/38/63/674543863.db2.gz OTSPQSDRMREQEN-UHFFFAOYSA-N -1 1 363.171 2.324 20 0 FEADMM COc1ncccc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000821919972 606704445 /nfs/dbraw/zinc/70/44/45/606704445.db2.gz IPPRFDZDZOGZJX-UHFFFAOYSA-N -1 1 368.784 2.287 20 0 FEADMM Cc1cccc2c1CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000822341074 606844023 /nfs/dbraw/zinc/84/40/23/606844023.db2.gz UBLFREPIGSKYAC-UHFFFAOYSA-N -1 1 373.413 2.061 20 0 FEADMM COC(=O)c1sccc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000821672314 606873024 /nfs/dbraw/zinc/87/30/24/606873024.db2.gz GCXQEWWVWIEAOC-UHFFFAOYSA-N -1 1 367.390 2.078 20 0 FEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821039132 606895539 /nfs/dbraw/zinc/89/55/39/606895539.db2.gz AMAIWDWGQBSZDZ-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000820184154 606937935 /nfs/dbraw/zinc/93/79/35/606937935.db2.gz UVYWIYBXFXOSJF-LLVKDONJSA-N -1 1 351.432 2.024 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000820184154 606937936 /nfs/dbraw/zinc/93/79/36/606937936.db2.gz UVYWIYBXFXOSJF-LLVKDONJSA-N -1 1 351.432 2.024 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820386488 606948469 /nfs/dbraw/zinc/94/84/69/606948469.db2.gz ZJOYXCLXRJIGOQ-QWHCGFSZSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820386488 606948471 /nfs/dbraw/zinc/94/84/71/606948471.db2.gz ZJOYXCLXRJIGOQ-QWHCGFSZSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@@H](O)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820473840 607059657 /nfs/dbraw/zinc/05/96/57/607059657.db2.gz MRULNKDIQPUXSV-YPMHNXCESA-N -1 1 357.439 2.213 20 0 FEADMM C[C@@H](O)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820473840 607059658 /nfs/dbraw/zinc/05/96/58/607059658.db2.gz MRULNKDIQPUXSV-YPMHNXCESA-N -1 1 357.439 2.213 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000823379803 607106955 /nfs/dbraw/zinc/10/69/55/607106955.db2.gz JEFASBWGNUMVIO-UHFFFAOYSA-N -1 1 362.325 2.389 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000823379803 607106958 /nfs/dbraw/zinc/10/69/58/607106958.db2.gz JEFASBWGNUMVIO-UHFFFAOYSA-N -1 1 362.325 2.389 20 0 FEADMM Clc1nsc(N[C@H]2CCO[C@]3(CCSC3)C2)c1-c1nnn[n-]1 ZINC000822591088 607176485 /nfs/dbraw/zinc/17/64/85/607176485.db2.gz QJOAUZSCTZFCCI-JVXZTZIISA-N -1 1 358.880 2.443 20 0 FEADMM Clc1nsc(N[C@H]2CCO[C@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC000822591088 607176486 /nfs/dbraw/zinc/17/64/86/607176486.db2.gz QJOAUZSCTZFCCI-JVXZTZIISA-N -1 1 358.880 2.443 20 0 FEADMM Clc1nsc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1-c1nnn[n-]1 ZINC000822591090 607176586 /nfs/dbraw/zinc/17/65/86/607176586.db2.gz QJOAUZSCTZFCCI-KRTXAFLBSA-N -1 1 358.880 2.443 20 0 FEADMM Clc1nsc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC000822591090 607176587 /nfs/dbraw/zinc/17/65/87/607176587.db2.gz QJOAUZSCTZFCCI-KRTXAFLBSA-N -1 1 358.880 2.443 20 0 FEADMM CC[C@@H](C[C@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820882206 607186844 /nfs/dbraw/zinc/18/68/44/607186844.db2.gz MISYJJKANHLXLH-AAEUAGOBSA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@@H](C[C@H](C)CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820882206 607186845 /nfs/dbraw/zinc/18/68/45/607186845.db2.gz MISYJJKANHLXLH-AAEUAGOBSA-N -1 1 372.429 2.086 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C)(c3ccccc3)CC2)n1 ZINC000826356873 607804124 /nfs/dbraw/zinc/80/41/24/607804124.db2.gz JEURBUVAEHLTNN-UHFFFAOYSA-N -1 1 366.429 2.186 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C)(c3ccccc3)CC2)n1 ZINC000826356873 607804125 /nfs/dbraw/zinc/80/41/25/607804125.db2.gz JEURBUVAEHLTNN-UHFFFAOYSA-N -1 1 366.429 2.186 20 0 FEADMM Cc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826292099 607874777 /nfs/dbraw/zinc/87/47/77/607874777.db2.gz IHDRAMGTLILFBM-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826292099 607874778 /nfs/dbraw/zinc/87/47/78/607874778.db2.gz IHDRAMGTLILFBM-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM CC(C)(C)OC(=O)N(CCCNc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000824099463 607896123 /nfs/dbraw/zinc/89/61/23/607896123.db2.gz GOQYOMQGWSQLNV-UHFFFAOYSA-N -1 1 359.434 2.463 20 0 FEADMM CC(C)(C)OC(=O)N(CCCNc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000824099463 607896124 /nfs/dbraw/zinc/89/61/24/607896124.db2.gz GOQYOMQGWSQLNV-UHFFFAOYSA-N -1 1 359.434 2.463 20 0 FEADMM CN(C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)C(=O)OC(C)(C)C ZINC000825908623 607897409 /nfs/dbraw/zinc/89/74/09/607897409.db2.gz KAYVEYUZZIMQHJ-CYBMUJFWSA-N -1 1 373.461 2.345 20 0 FEADMM CN(C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)C(=O)OC(C)(C)C ZINC000825908623 607897410 /nfs/dbraw/zinc/89/74/10/607897410.db2.gz KAYVEYUZZIMQHJ-CYBMUJFWSA-N -1 1 373.461 2.345 20 0 FEADMM Cc1nc(COc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2)no1 ZINC000826326211 607898976 /nfs/dbraw/zinc/89/89/76/607898976.db2.gz GHFRPZPWZCKJGW-UHFFFAOYSA-N -1 1 350.342 2.276 20 0 FEADMM Cc1nc(COc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)no1 ZINC000826326211 607898977 /nfs/dbraw/zinc/89/89/77/607898977.db2.gz GHFRPZPWZCKJGW-UHFFFAOYSA-N -1 1 350.342 2.276 20 0 FEADMM CC(C)Oc1cccc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000824333781 607919410 /nfs/dbraw/zinc/91/94/10/607919410.db2.gz MFQITVZGMVLDHR-UHFFFAOYSA-N -1 1 370.417 2.051 20 0 FEADMM CC(C)Oc1cccc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000824333781 607919411 /nfs/dbraw/zinc/91/94/11/607919411.db2.gz MFQITVZGMVLDHR-UHFFFAOYSA-N -1 1 370.417 2.051 20 0 FEADMM CSc1ccccc1NC(=O)CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000826231740 607934151 /nfs/dbraw/zinc/93/41/51/607934151.db2.gz XXUDAGHYXRGKGQ-UHFFFAOYSA-N -1 1 355.427 2.059 20 0 FEADMM CSc1ccccc1NC(=O)CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000826231740 607934152 /nfs/dbraw/zinc/93/41/52/607934152.db2.gz XXUDAGHYXRGKGQ-UHFFFAOYSA-N -1 1 355.427 2.059 20 0 FEADMM CC(=O)Nc1c(C)cccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823993959 607998261 /nfs/dbraw/zinc/99/82/61/607998261.db2.gz CEGIGERAXAEHKU-UHFFFAOYSA-N -1 1 352.354 2.091 20 0 FEADMM CN(C)[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(Cl)c1 ZINC000825850236 607999355 /nfs/dbraw/zinc/99/93/55/607999355.db2.gz OMVYWTYPWGJXQM-HNNXBMFYSA-N -1 1 372.816 2.467 20 0 FEADMM CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824280179 608013407 /nfs/dbraw/zinc/01/34/07/608013407.db2.gz FTCUTNLTJDPLAK-CYBMUJFWSA-N -1 1 353.430 2.139 20 0 FEADMM CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824280179 608013408 /nfs/dbraw/zinc/01/34/08/608013408.db2.gz FTCUTNLTJDPLAK-CYBMUJFWSA-N -1 1 353.430 2.139 20 0 FEADMM Cc1ccc(OCc2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cc1 ZINC000826292537 608013625 /nfs/dbraw/zinc/01/36/25/608013625.db2.gz YRQCYFKQWRAJBG-UHFFFAOYSA-N -1 1 353.411 2.455 20 0 FEADMM Cc1ccc(OCc2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cc1 ZINC000826292537 608013626 /nfs/dbraw/zinc/01/36/26/608013626.db2.gz YRQCYFKQWRAJBG-UHFFFAOYSA-N -1 1 353.411 2.455 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1cncc(C)c1 ZINC000826319588 608038014 /nfs/dbraw/zinc/03/80/14/608038014.db2.gz JOBDVTCAFBWDSA-UHFFFAOYSA-N -1 1 363.381 2.192 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cncc(C)c1 ZINC000826319588 608038015 /nfs/dbraw/zinc/03/80/15/608038015.db2.gz JOBDVTCAFBWDSA-UHFFFAOYSA-N -1 1 363.381 2.192 20 0 FEADMM COc1ccccc1OC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826220349 608115008 /nfs/dbraw/zinc/11/50/08/608115008.db2.gz KYXNZZGIIMQTRS-NSHDSACASA-N -1 1 373.438 2.382 20 0 FEADMM COc1ccccc1OC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826220349 608115009 /nfs/dbraw/zinc/11/50/09/608115009.db2.gz KYXNZZGIIMQTRS-NSHDSACASA-N -1 1 373.438 2.382 20 0 FEADMM COCCn1nc(C)c(Nc2snc(Cl)c2-c2nnn[n-]2)c1C ZINC000826163903 608188597 /nfs/dbraw/zinc/18/85/97/608188597.db2.gz QHLNTRABEPFGGV-UHFFFAOYSA-N -1 1 354.827 2.180 20 0 FEADMM COCCn1nc(C)c(Nc2snc(Cl)c2-c2nn[n-]n2)c1C ZINC000826163903 608188599 /nfs/dbraw/zinc/18/85/99/608188599.db2.gz QHLNTRABEPFGGV-UHFFFAOYSA-N -1 1 354.827 2.180 20 0 FEADMM O=C1C[C@H](c2cccc(Nc3snc(Cl)c3-c3nnn[n-]3)c2)CN1 ZINC000826478441 608193190 /nfs/dbraw/zinc/19/31/90/608193190.db2.gz BPFGZHAADXNEPZ-QMMMGPOBSA-N -1 1 361.818 2.324 20 0 FEADMM O=C1C[C@H](c2cccc(Nc3snc(Cl)c3-c3nn[n-]n3)c2)CN1 ZINC000826478441 608193191 /nfs/dbraw/zinc/19/31/91/608193191.db2.gz BPFGZHAADXNEPZ-QMMMGPOBSA-N -1 1 361.818 2.324 20 0 FEADMM Cc1cccc(O)c1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826299616 608211807 /nfs/dbraw/zinc/21/18/07/608211807.db2.gz MZTDDEXICRGNTN-UHFFFAOYSA-N -1 1 368.397 2.169 20 0 FEADMM CCn1c2ccc(-c3nn[nH]n3)cc2nc1-c1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000825782975 608227337 /nfs/dbraw/zinc/22/73/37/608227337.db2.gz XRJWCXRURIRWLX-UHFFFAOYSA-N -1 1 374.364 2.478 20 0 FEADMM CC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCN1CC(F)F ZINC000825219848 608234873 /nfs/dbraw/zinc/23/48/73/608234873.db2.gz MWRPPGVSKSHOLD-ZETCQYMHSA-N -1 1 363.825 2.142 20 0 FEADMM CC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCN1CC(F)F ZINC000825219848 608234875 /nfs/dbraw/zinc/23/48/75/608234875.db2.gz MWRPPGVSKSHOLD-ZETCQYMHSA-N -1 1 363.825 2.142 20 0 FEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000824158437 608239511 /nfs/dbraw/zinc/23/95/11/608239511.db2.gz WVWCCFMKCUFLSN-UHFFFAOYSA-N -1 1 364.475 2.147 20 0 FEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000824158437 608239512 /nfs/dbraw/zinc/23/95/12/608239512.db2.gz WVWCCFMKCUFLSN-UHFFFAOYSA-N -1 1 364.475 2.147 20 0 FEADMM O=C(Nc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1)c1ccco1 ZINC000826453559 608394240 /nfs/dbraw/zinc/39/42/40/608394240.db2.gz PAKYCYGCINPTHX-UHFFFAOYSA-N -1 1 362.353 2.114 20 0 FEADMM O=C(Nc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1)c1ccco1 ZINC000826453559 608394242 /nfs/dbraw/zinc/39/42/42/608394242.db2.gz PAKYCYGCINPTHX-UHFFFAOYSA-N -1 1 362.353 2.114 20 0 FEADMM C[C@@H](Cc1cccc(Br)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824458660 608404202 /nfs/dbraw/zinc/40/42/02/608404202.db2.gz WJBQGCMWVLCHAU-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM C[C@@H](Cc1cccc(Br)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824458660 608404204 /nfs/dbraw/zinc/40/42/04/608404204.db2.gz WJBQGCMWVLCHAU-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM CC(C)CC(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824227673 608404216 /nfs/dbraw/zinc/40/42/16/608404216.db2.gz ACMJCXZVRBUHSZ-UHFFFAOYSA-N -1 1 352.402 2.253 20 0 FEADMM CC(C)CC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824227673 608404218 /nfs/dbraw/zinc/40/42/18/608404218.db2.gz ACMJCXZVRBUHSZ-UHFFFAOYSA-N -1 1 352.402 2.253 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)C[C@H](C)O1 ZINC000824993413 608407933 /nfs/dbraw/zinc/40/79/33/608407933.db2.gz QSEGIDAGSKXFJH-TXEJJXNPSA-N -1 1 352.402 2.014 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)C[C@H](C)O1 ZINC000824993413 608407934 /nfs/dbraw/zinc/40/79/34/608407934.db2.gz QSEGIDAGSKXFJH-TXEJJXNPSA-N -1 1 352.402 2.014 20 0 FEADMM Cc1ccc(CCN(C[C@H]2CCCO2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826287500 608426373 /nfs/dbraw/zinc/42/63/73/608426373.db2.gz RBOZLCLORVVEJT-MRXNPFEDSA-N -1 1 365.441 2.193 20 0 FEADMM Cc1ccc(CCN(C[C@H]2CCCO2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826287500 608426374 /nfs/dbraw/zinc/42/63/74/608426374.db2.gz RBOZLCLORVVEJT-MRXNPFEDSA-N -1 1 365.441 2.193 20 0 FEADMM CCC(CC)C(=O)N1CCC(Nc2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000825097055 608543806 /nfs/dbraw/zinc/54/38/06/608543806.db2.gz SRMFASAURNACJQ-UHFFFAOYSA-N -1 1 357.462 2.409 20 0 FEADMM CN1Cc2cc(Oc3c4ccccc4nnc3-c3nn[n-]n3)ccc2C1=O ZINC000826044793 608553712 /nfs/dbraw/zinc/55/37/12/608553712.db2.gz KSGSOIMSMHXTFU-UHFFFAOYSA-N -1 1 359.349 2.188 20 0 FEADMM Cc1nc(CNc2c3ccccc3nnc2-c2nnn[n-]2)ccc1[C@@H](C)O ZINC000826326593 608667598 /nfs/dbraw/zinc/66/75/98/608667598.db2.gz WTAQPSJEPBNLJC-LLVKDONJSA-N -1 1 362.397 2.179 20 0 FEADMM Cc1nc(CNc2c3ccccc3nnc2-c2nn[n-]n2)ccc1[C@@H](C)O ZINC000826326593 608667599 /nfs/dbraw/zinc/66/75/99/608667599.db2.gz WTAQPSJEPBNLJC-LLVKDONJSA-N -1 1 362.397 2.179 20 0 FEADMM CC[C@H](C)[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825050305 609147504 /nfs/dbraw/zinc/14/75/04/609147504.db2.gz HQTZKNDMHMOOBQ-NWDGAFQWSA-N -1 1 373.461 2.063 20 0 FEADMM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)[n-]c(=O)c1C ZINC000826327684 609182282 /nfs/dbraw/zinc/18/22/82/609182282.db2.gz QDOLHMDILDNALS-JTQLQIEISA-N -1 1 371.426 2.098 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1scnc1Br ZINC000826451795 609294374 /nfs/dbraw/zinc/29/43/74/609294374.db2.gz WVOFOHHUQVJZGN-UHFFFAOYSA-N -1 1 367.188 2.044 20 0 FEADMM CC(C)[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824192626 609357456 /nfs/dbraw/zinc/35/74/56/609357456.db2.gz KQMCAWRUXHILKO-SNVBAGLBSA-N -1 1 358.381 2.358 20 0 FEADMM O=S(=O)([N-]c1c(O)cccc1F)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826492458 609529037 /nfs/dbraw/zinc/52/90/37/609529037.db2.gz LXQGUNZRZLFBTP-UHFFFAOYSA-N -1 1 369.765 2.166 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCOCC2(CCOCC2)C1 ZINC000826523388 609607630 /nfs/dbraw/zinc/60/76/30/609607630.db2.gz LCPVQVZMLOWFPK-UHFFFAOYSA-N -1 1 366.425 2.048 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCOCC2(CCOCC2)C1 ZINC000826523388 609607632 /nfs/dbraw/zinc/60/76/32/609607632.db2.gz LCPVQVZMLOWFPK-UHFFFAOYSA-N -1 1 366.425 2.048 20 0 FEADMM Cc1noc(C)c1CCS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000559990576 674562965 /nfs/dbraw/zinc/56/29/65/674562965.db2.gz VHCSBHJJLMOJEJ-UHFFFAOYSA-N -1 1 352.441 2.078 20 0 FEADMM Cc1noc(C)c1CCS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000559990576 674562959 /nfs/dbraw/zinc/56/29/59/674562959.db2.gz VHCSBHJJLMOJEJ-UHFFFAOYSA-N -1 1 352.441 2.078 20 0 FEADMM Cc1noc(C)c1CCS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000559990576 674562962 /nfs/dbraw/zinc/56/29/62/674562962.db2.gz VHCSBHJJLMOJEJ-UHFFFAOYSA-N -1 1 352.441 2.078 20 0 FEADMM O=S(=O)([N-]CC1=CCOCC1)c1cc(Br)c(F)cc1F ZINC000560320308 674577049 /nfs/dbraw/zinc/57/70/49/674577049.db2.gz WMOQBNWEHMINKT-UHFFFAOYSA-N -1 1 368.199 2.352 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCSC[C@H]2C2CC2)c(=O)[n-]1 ZINC000560456211 674589330 /nfs/dbraw/zinc/58/93/30/674589330.db2.gz SLEFFNKEEZXXPX-ZDUSSCGKSA-N -1 1 353.513 2.499 20 0 FEADMM COC(=O)CCCO[N-]C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000811560171 674613524 /nfs/dbraw/zinc/61/35/24/674613524.db2.gz WERPBCNZXCCNAZ-MRXNPFEDSA-N -1 1 352.406 2.181 20 0 FEADMM COC[C@@H](C)[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000812575015 674685585 /nfs/dbraw/zinc/68/55/85/674685585.db2.gz MTZIXZSPTKXIRN-QWQWKMKNSA-N -1 1 352.397 2.209 20 0 FEADMM O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1ncccc1[O-] ZINC000561773480 674697910 /nfs/dbraw/zinc/69/79/10/674697910.db2.gz HJCASWGWVXMOHU-LLVKDONJSA-N -1 1 355.163 2.152 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)[N-]OCCOC(C)C)n2)cc1 ZINC000812806568 674699830 /nfs/dbraw/zinc/69/98/30/674699830.db2.gz IURMIRRFGBPEJQ-UHFFFAOYSA-N -1 1 350.444 2.345 20 0 FEADMM Cc1nc(S[C@H](C)C(=O)NC(=O)NCc2ccccc2)[n-]c(=O)c1C ZINC000561822771 674701471 /nfs/dbraw/zinc/70/14/71/674701471.db2.gz IQTZRJHLBRZQQX-GFCCVEGCSA-N -1 1 360.439 2.306 20 0 FEADMM CO[C@@](C)(C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C1CC1 ZINC000813248227 674731333 /nfs/dbraw/zinc/73/13/33/674731333.db2.gz HZVKDNVZMUWFFU-PCVQNBPASA-N -1 1 350.381 2.106 20 0 FEADMM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000562547045 674768458 /nfs/dbraw/zinc/76/84/58/674768458.db2.gz PSXXHURQOMNEDW-CQSZACIVSA-N -1 1 360.439 2.114 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[C@@H](c3ccccc3)O2)co1 ZINC000814061012 674814915 /nfs/dbraw/zinc/81/49/15/674814915.db2.gz LUUBUZSNAPHSGN-GJZGRUSLSA-N -1 1 365.407 2.265 20 0 FEADMM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1ncccc1C(F)(F)F ZINC000645575078 677264601 /nfs/dbraw/zinc/26/46/01/677264601.db2.gz YTHOAQNRLRDEPG-GFCCVEGCSA-N -1 1 352.378 2.320 20 0 FEADMM O=C([O-])c1cn([C@H]2CCCN(CCOc3ccccc3Cl)C2)nn1 ZINC000563289638 674869075 /nfs/dbraw/zinc/86/90/75/674869075.db2.gz NATGECHOURIBDN-LBPRGKRZSA-N -1 1 350.806 2.346 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(F)cc1C ZINC000815045118 674906479 /nfs/dbraw/zinc/90/64/79/674906479.db2.gz OIDBQIBHENFDGF-GFCCVEGCSA-N -1 1 351.346 2.387 20 0 FEADMM CCOC(=O)c1nc2ccc(OS(=O)(=O)c3c[n-]nc3C)cc2s1 ZINC000815048433 674907472 /nfs/dbraw/zinc/90/74/72/674907472.db2.gz LLCLSMIYVIEMLO-UHFFFAOYSA-N -1 1 367.408 2.272 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NC[C@H]1Cc2ccccc2O1 ZINC000563572333 674909760 /nfs/dbraw/zinc/90/97/60/674909760.db2.gz KFNZKPPNGZCECG-SNVBAGLBSA-N -1 1 367.377 2.332 20 0 FEADMM O=C(COc1ccc(Cl)c(Cl)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000563915128 674953257 /nfs/dbraw/zinc/95/32/57/674953257.db2.gz GTELXNJTPBNJET-UHFFFAOYSA-N -1 1 356.213 2.471 20 0 FEADMM CCc1oc(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc1C(=O)OC ZINC000563988497 674961600 /nfs/dbraw/zinc/96/16/00/674961600.db2.gz UVHHDCKRMUOJQD-UHFFFAOYSA-N -1 1 365.411 2.626 20 0 FEADMM O=C([N-]OCCC1CC1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000815793454 674972796 /nfs/dbraw/zinc/97/27/96/674972796.db2.gz YTSQFMORYFVAHJ-UHFFFAOYSA-N -1 1 363.483 2.022 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)cn1 ZINC000564147632 674978490 /nfs/dbraw/zinc/97/84/90/674978490.db2.gz JPODMNLZVSFQAY-OAQYLSRUSA-N -1 1 361.876 2.236 20 0 FEADMM C[C@](N)(C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000564576267 675040298 /nfs/dbraw/zinc/04/02/98/675040298.db2.gz LWRJVXFRHHPVOD-MEDUHNTESA-N -1 1 369.259 2.336 20 0 FEADMM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000816333527 675047671 /nfs/dbraw/zinc/04/76/71/675047671.db2.gz OEFDZYHHWHFMCG-GOSISDBHSA-N -1 1 370.490 2.462 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1Cl ZINC000014097750 670007032 /nfs/dbraw/zinc/00/70/32/670007032.db2.gz HFEAMTZSCKDLNJ-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM COC(OC)[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000816616088 675068671 /nfs/dbraw/zinc/06/86/71/675068671.db2.gz NWRVINVPHOKJJR-SNVBAGLBSA-N -1 1 354.403 2.476 20 0 FEADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000023371237 670047540 /nfs/dbraw/zinc/04/75/40/670047540.db2.gz XUXWASBFBLSXSE-UHFFFAOYSA-N -1 1 359.407 2.141 20 0 FEADMM COc1ccc(NC(=O)COc2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000029817311 670103595 /nfs/dbraw/zinc/10/35/95/670103595.db2.gz SXHWCCPATAOXRT-UHFFFAOYSA-N -1 1 368.386 2.223 20 0 FEADMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000031555662 670122618 /nfs/dbraw/zinc/12/26/18/670122618.db2.gz LZGQUGZWKBLSEG-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM O=C(CCCOc1ccc(Cl)cc1Cl)N[N-]C(=O)c1cc[nH]n1 ZINC000042197865 670159517 /nfs/dbraw/zinc/15/95/17/670159517.db2.gz MXXNWZUPEMVZEI-UHFFFAOYSA-N -1 1 357.197 2.337 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)o1 ZINC000046313984 670220783 /nfs/dbraw/zinc/22/07/83/670220783.db2.gz MFDUVDFAFRCDOQ-UHFFFAOYSA-N -1 1 365.407 2.396 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccc(OC(C)C)c2)o1 ZINC000051111750 670291896 /nfs/dbraw/zinc/29/18/96/670291896.db2.gz SFXYGNWRJNNBCC-UHFFFAOYSA-N -1 1 353.396 2.332 20 0 FEADMM CC(NCCc1ccc(F)cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054504865 670337825 /nfs/dbraw/zinc/33/78/25/670337825.db2.gz CEFVTMNIBDCLHJ-QINSGFPZSA-N -1 1 363.458 2.131 20 0 FEADMM CCC(NCCCOCC(C)C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054506089 670337937 /nfs/dbraw/zinc/33/79/37/670337937.db2.gz PNELPSCCPSNAKC-PFONDFGASA-N -1 1 369.531 2.202 20 0 FEADMM CO[C@H](C)C(=O)N[N-]C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000054869319 670342533 /nfs/dbraw/zinc/34/25/33/670342533.db2.gz PWNZRJRWEYUFME-LLVKDONJSA-N -1 1 358.423 2.191 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000817129734 675100150 /nfs/dbraw/zinc/10/01/50/675100150.db2.gz LWJLQKNCUZDEHN-HNNXBMFYSA-N -1 1 367.471 2.141 20 0 FEADMM COC(=O)CCCNC(=S)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000057970602 670374032 /nfs/dbraw/zinc/37/40/32/670374032.db2.gz FKGPCDKMMYXZGJ-UHFFFAOYSA-N -1 1 364.254 2.056 20 0 FEADMM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1n[n-]c(=S)n1C ZINC000066625587 670445276 /nfs/dbraw/zinc/44/52/76/670445276.db2.gz FHNAGEKSFLHMSP-SSDOTTSWSA-N -1 1 371.806 2.123 20 0 FEADMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2n[n-]c(=S)n2C(C)C)C1 ZINC000066639317 670445862 /nfs/dbraw/zinc/44/58/62/670445862.db2.gz OOJAZCOPXWPESB-CHWSQXEVSA-N -1 1 367.519 2.422 20 0 FEADMM CC(=O)N[C@@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)c1ccccc1 ZINC000066640058 670446275 /nfs/dbraw/zinc/44/62/75/670446275.db2.gz CHAKNZBHVCQUAB-AWEZNQCLSA-N -1 1 361.471 2.405 20 0 FEADMM COCCN(C)S(=O)(=O)[N-]c1nn(-c2ccc(Cl)cc2)cc1C ZINC000565367584 675115404 /nfs/dbraw/zinc/11/54/04/675115404.db2.gz LVBGBGKYDUMVHG-UHFFFAOYSA-N -1 1 358.851 2.069 20 0 FEADMM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000072510062 670496055 /nfs/dbraw/zinc/49/60/55/670496055.db2.gz HOOJVCJMMXUNQO-NSHDSACASA-N -1 1 353.271 2.432 20 0 FEADMM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(Br)cnc1Cl ZINC000072713771 670497488 /nfs/dbraw/zinc/49/74/88/670497488.db2.gz ILZUBAVVHPOKMY-UHFFFAOYSA-N -1 1 350.625 2.304 20 0 FEADMM Cc1cc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)no1 ZINC000073300133 670501203 /nfs/dbraw/zinc/50/12/03/670501203.db2.gz QOCLTULEANXYLT-UHFFFAOYSA-N -1 1 355.441 2.471 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)o1 ZINC000073917718 670510531 /nfs/dbraw/zinc/51/05/31/670510531.db2.gz XNYKGISWEVOGNO-UHFFFAOYSA-N -1 1 350.440 2.415 20 0 FEADMM CC(C)C[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)C(=O)[O-] ZINC000569139696 670516119 /nfs/dbraw/zinc/51/61/19/670516119.db2.gz RGWFJWRKXMHGQP-MEDUHNTESA-N -1 1 371.275 2.486 20 0 FEADMM Cn1c(Cc2csc(NC(=O)c3cc(C4CC4)[nH]n3)n2)n[n-]c1=S ZINC000074295088 670517477 /nfs/dbraw/zinc/51/74/77/670517477.db2.gz JAFCKPFHZAWWGQ-UHFFFAOYSA-N -1 1 361.456 2.378 20 0 FEADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc3ccccc3c2)CCSC1 ZINC000569172883 670520110 /nfs/dbraw/zinc/52/01/10/670520110.db2.gz ULFLQUVKULMXPV-QGZVFWFLSA-N -1 1 365.476 2.308 20 0 FEADMM CCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383454 670563703 /nfs/dbraw/zinc/56/37/03/670563703.db2.gz NMUIRDGXFIBMJM-UHFFFAOYSA-N -1 1 352.453 2.056 20 0 FEADMM Cc1nnc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)s1 ZINC000817293529 675118478 /nfs/dbraw/zinc/11/84/78/675118478.db2.gz MOSSMXGDIPXPLU-NSHDSACASA-N -1 1 356.373 2.456 20 0 FEADMM CCc1nc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)no1 ZINC000817293177 675118677 /nfs/dbraw/zinc/11/86/77/675118677.db2.gz KKMGSGNJJRJICI-NSHDSACASA-N -1 1 354.332 2.242 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000817356800 675124610 /nfs/dbraw/zinc/12/46/10/675124610.db2.gz UUIJVWBNUONLKS-INIZCTEOSA-N -1 1 361.419 2.356 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(C)C ZINC000096876608 670761912 /nfs/dbraw/zinc/76/19/12/670761912.db2.gz PRTIVOOBWANMGF-VIFPVBQESA-N -1 1 371.684 2.447 20 0 FEADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc(N(C)C)c1 ZINC000570755471 670764325 /nfs/dbraw/zinc/76/43/25/670764325.db2.gz ZNWPYBSLLMCRKY-UHFFFAOYSA-N -1 1 368.386 2.399 20 0 FEADMM C[C@]1(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CCCO1 ZINC000817490038 675138220 /nfs/dbraw/zinc/13/82/20/675138220.db2.gz KZWDQIWXHIWRAV-MLGOLLRUSA-N -1 1 356.344 2.192 20 0 FEADMM O=C(C[C@H]1CCOC1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490193 675138257 /nfs/dbraw/zinc/13/82/57/675138257.db2.gz ODUIWWUJWBGTQB-YPMHNXCESA-N -1 1 356.344 2.049 20 0 FEADMM CC(C)(C)C(=O)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817492363 675138575 /nfs/dbraw/zinc/13/85/75/675138575.db2.gz HYDJHTBFUFYRDT-LLVKDONJSA-N -1 1 356.344 2.238 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)ccc1F ZINC000103060614 670779171 /nfs/dbraw/zinc/77/91/71/670779171.db2.gz GWGXCKIYQNGJEU-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM O=C(C[C@H]1CCCO1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493218 675138933 /nfs/dbraw/zinc/13/89/33/675138933.db2.gz RNZOITGMRSZWEH-CHWSQXEVSA-N -1 1 356.344 2.192 20 0 FEADMM CCCCOC(=O)CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000106827032 670813665 /nfs/dbraw/zinc/81/36/65/670813665.db2.gz GFTWWUUYFAFFAP-UHFFFAOYSA-N -1 1 362.455 2.376 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000571126513 670820110 /nfs/dbraw/zinc/82/01/10/670820110.db2.gz FZNCRIIHBIXWAF-CABCVRRESA-N -1 1 365.455 2.320 20 0 FEADMM CC(C)O[C@@]1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CCOC1 ZINC000571155194 670824779 /nfs/dbraw/zinc/82/47/79/670824779.db2.gz XPOCFSYGCYOCFJ-INIZCTEOSA-N -1 1 366.805 2.353 20 0 FEADMM CC(C)O[C@@]1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CCOC1 ZINC000571155194 670824786 /nfs/dbraw/zinc/82/47/86/670824786.db2.gz XPOCFSYGCYOCFJ-INIZCTEOSA-N -1 1 366.805 2.353 20 0 FEADMM O=C([N-][C@H]1CCC(=O)NC1=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817551729 675145919 /nfs/dbraw/zinc/14/59/19/675145919.db2.gz AZJMMGTXBSWTQL-VIFPVBQESA-N -1 1 351.136 2.007 20 0 FEADMM CC[C@@H]1CN(C)CCN1C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000571398047 670868359 /nfs/dbraw/zinc/86/83/59/670868359.db2.gz BSVROMGKMBKZDZ-CYBMUJFWSA-N -1 1 361.471 2.194 20 0 FEADMM O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1cc(Br)ccc1[O-] ZINC000571538961 670889651 /nfs/dbraw/zinc/88/96/51/670889651.db2.gz PAFPGUHOAXJPKR-RYUDHWBXSA-N -1 1 353.216 2.038 20 0 FEADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000572156029 670967958 /nfs/dbraw/zinc/96/79/58/670967958.db2.gz WBXYLROUGGGDEA-NSCUHMNNSA-N -1 1 357.391 2.050 20 0 FEADMM Cc1nc2ccc(CN[C@H]3CCN([C@@H](C(=O)[O-])C(C)C)C3=O)cc2s1 ZINC000572583251 671019498 /nfs/dbraw/zinc/01/94/98/671019498.db2.gz OVKQWBYZPLWBLQ-GOEBONIOSA-N -1 1 361.467 2.404 20 0 FEADMM Cc1nc2ccc(CN[C@H]3CCN([C@H](C(=O)[O-])C(C)C)C3=O)cc2s1 ZINC000572583252 671019643 /nfs/dbraw/zinc/01/96/43/671019643.db2.gz OVKQWBYZPLWBLQ-HOCLYGCPSA-N -1 1 361.467 2.404 20 0 FEADMM COC[C@H](CNC(=O)c1c([O-])cnc2c(Br)cccc21)OC ZINC000565981597 675165506 /nfs/dbraw/zinc/16/55/06/675165506.db2.gz GDLWQMQYMQVSDE-VIFPVBQESA-N -1 1 369.215 2.094 20 0 FEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CC[C@@H]1CCOC1 ZINC000572958467 671064545 /nfs/dbraw/zinc/06/45/45/671064545.db2.gz DMPMBZSVPBZIOS-JTQLQIEISA-N -1 1 361.391 2.091 20 0 FEADMM COC(=O)c1c(NC(=O)CN(C)CCCC(=O)[O-])sc2c1CCCC2 ZINC000573853900 671172846 /nfs/dbraw/zinc/17/28/46/671172846.db2.gz PBBCALPYDBUEGL-UHFFFAOYSA-N -1 1 368.455 2.149 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCSc2ccccn2)o1 ZINC000573925795 671182887 /nfs/dbraw/zinc/18/28/87/671182887.db2.gz JQEZERFFEKGAJX-UHFFFAOYSA-N -1 1 370.452 2.312 20 0 FEADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000575280882 671307917 /nfs/dbraw/zinc/30/79/17/671307917.db2.gz WUSHXRFFNRCKHB-CHWSQXEVSA-N -1 1 369.512 2.074 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)s[n-]1 ZINC000576742893 671391013 /nfs/dbraw/zinc/39/10/13/671391013.db2.gz ICTNGJDHMIBCRI-MFKMUULPSA-N -1 1 367.450 2.231 20 0 FEADMM COc1ccc(NC(=O)N2C[C@H](C)S[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000577121009 671418186 /nfs/dbraw/zinc/41/81/86/671418186.db2.gz QQYTZMHDDMLQOZ-QWRGUYRKSA-N -1 1 373.500 2.424 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)cc1 ZINC000609410920 675921700 /nfs/dbraw/zinc/92/17/00/675921700.db2.gz MHZDXOCGGAITMK-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM O=C(NC[C@@H](CO)c1cccnc1)c1ccc(Br)c([O-])c1 ZINC000577911268 671627945 /nfs/dbraw/zinc/62/79/45/671627945.db2.gz HAUPBIWVYNAWKU-LBPRGKRZSA-N -1 1 351.200 2.056 20 0 FEADMM Cc1cnc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)[n-]c1=O ZINC000577963652 671631627 /nfs/dbraw/zinc/63/16/27/671631627.db2.gz JCTPGNBDRYELMF-CQSZACIVSA-N -1 1 358.467 2.320 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000609494659 675923528 /nfs/dbraw/zinc/92/35/28/675923528.db2.gz GSINHQVXXXDLJP-QFIPXVFZSA-N -1 1 353.421 2.011 20 0 FEADMM O=C(NC(c1cccs1)c1cccs1)c1cc(=O)n2[n-]cnc2n1 ZINC000578178190 671646431 /nfs/dbraw/zinc/64/64/31/671646431.db2.gz GGKRHFLTJPCQLR-UHFFFAOYSA-N -1 1 357.420 2.060 20 0 FEADMM CCOc1cccc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)n1 ZINC000579313473 671726333 /nfs/dbraw/zinc/72/63/33/671726333.db2.gz WBIRIALEYBLSKN-UHFFFAOYSA-N -1 1 362.386 2.378 20 0 FEADMM CCOc1cccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)n1 ZINC000579313473 671726336 /nfs/dbraw/zinc/72/63/36/671726336.db2.gz WBIRIALEYBLSKN-UHFFFAOYSA-N -1 1 362.386 2.378 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@H]1c1cccnc1)c1nc2ccccc2s1 ZINC000581068839 671860772 /nfs/dbraw/zinc/86/07/72/671860772.db2.gz HJEFJZCPBNZRKW-DZGCQCFKSA-N -1 1 361.448 2.500 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)c1C ZINC000581171640 671869782 /nfs/dbraw/zinc/86/97/82/671869782.db2.gz UZYCNQVFDMTOQB-MRXNPFEDSA-N -1 1 368.499 2.400 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)CCOc3ccccc3)n[n-]2)cc1 ZINC000581230582 671875762 /nfs/dbraw/zinc/87/57/62/671875762.db2.gz IZTPFKJWIUOYGV-UHFFFAOYSA-N -1 1 359.407 2.333 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@H]1C(=O)[O-] ZINC000581310887 671883742 /nfs/dbraw/zinc/88/37/42/671883742.db2.gz SAAZLLMFBMMNPN-PSASIEDQSA-N -1 1 367.345 2.142 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)OC ZINC000581338964 671885931 /nfs/dbraw/zinc/88/59/31/671885931.db2.gz ATFWOQIWHIWWBL-HTQZYQBOSA-N -1 1 370.254 2.482 20 0 FEADMM O=C(NCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1ccco1 ZINC000581375792 671890215 /nfs/dbraw/zinc/89/02/15/671890215.db2.gz VEIIJDGVZJLOBU-UHFFFAOYSA-N -1 1 359.769 2.347 20 0 FEADMM Cc1csc(C[N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)n1 ZINC000119866067 671911103 /nfs/dbraw/zinc/91/11/03/671911103.db2.gz DKUFFPPEIAMOHN-UHFFFAOYSA-N -1 1 373.887 2.285 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000581856761 671941655 /nfs/dbraw/zinc/94/16/55/671941655.db2.gz NZIXQKZYBPJSNF-UHFFFAOYSA-N -1 1 367.305 2.171 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCOc1ccc2ccccc2c1 ZINC000581995562 671956787 /nfs/dbraw/zinc/95/67/87/671956787.db2.gz PYJBYNVUVYUTRI-UHFFFAOYSA-N -1 1 361.423 2.466 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1)N1CCCCC1 ZINC000124723574 672001290 /nfs/dbraw/zinc/00/12/90/672001290.db2.gz XPJYVMXYPZAIIG-CQSZACIVSA-N -1 1 359.879 2.050 20 0 FEADMM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)s1 ZINC000582487406 672006366 /nfs/dbraw/zinc/00/63/66/672006366.db2.gz SDZSSGHLGYVHIR-UHFFFAOYSA-N -1 1 370.500 2.497 20 0 FEADMM CO[C@H]1C[C@H](CC(=O)[O-])N(CCOc2ccccc2Br)C1 ZINC000582612743 672018646 /nfs/dbraw/zinc/01/86/46/672018646.db2.gz XGGLXYHCVDLXNN-NEPJUHHUSA-N -1 1 358.232 2.392 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccnc2OC(C)C)o1 ZINC000610488556 675975419 /nfs/dbraw/zinc/97/54/19/675975419.db2.gz JABALGOFNMNJMU-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc(C(C)(C)C)s1 ZINC000130766434 672079460 /nfs/dbraw/zinc/07/94/60/672079460.db2.gz JCWJLNAZZFNYEY-UHFFFAOYSA-N -1 1 360.439 2.485 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1 ZINC000131422391 672088372 /nfs/dbraw/zinc/08/83/72/672088372.db2.gz JULSUDWFQFCNAY-UHFFFAOYSA-N -1 1 352.387 2.011 20 0 FEADMM C[C@@](N)(C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000583444863 672095634 /nfs/dbraw/zinc/09/56/34/672095634.db2.gz OHUWSGHDXSOEEQ-MEKTXKAGSA-N -1 1 369.259 2.383 20 0 FEADMM C[C@@H](CO)[C@@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000583595755 672109940 /nfs/dbraw/zinc/10/99/40/672109940.db2.gz GSGFLZVERQRAKQ-DTWKUNHWSA-N -1 1 353.216 2.450 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)n2ncc(C#N)c2N)cc1 ZINC000139473374 672146472 /nfs/dbraw/zinc/14/64/72/672146472.db2.gz GYCWINCFVWBVLR-UHFFFAOYSA-N -1 1 353.411 2.297 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2nn(C)cc2Br)c1 ZINC000584113522 672157596 /nfs/dbraw/zinc/15/75/96/672157596.db2.gz VOQUHOKSYQCLKT-UHFFFAOYSA-N -1 1 360.233 2.382 20 0 FEADMM O=C(NCCCNC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000584199581 672165109 /nfs/dbraw/zinc/16/51/09/672165109.db2.gz NUMRJJNPVJSNJE-UHFFFAOYSA-N -1 1 352.312 2.359 20 0 FEADMM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCO1 ZINC000584279888 672172708 /nfs/dbraw/zinc/17/27/08/672172708.db2.gz WKHAGBBJBCDRMV-WDEREUQCSA-N -1 1 369.409 2.311 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000153841450 672205698 /nfs/dbraw/zinc/20/56/98/672205698.db2.gz RHGZSOPDYGGRBO-ZIAGYGMSSA-N -1 1 356.216 2.175 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cnc3n2CCC3)c(F)cc1C ZINC000585730730 672227682 /nfs/dbraw/zinc/22/76/82/672227682.db2.gz JYRZHMSZBNUBQQ-UHFFFAOYSA-N -1 1 367.402 2.254 20 0 FEADMM O=C(Cc1cccc(Br)c1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000586754453 672240369 /nfs/dbraw/zinc/24/03/69/672240369.db2.gz ZZBHRGZJDRHFOG-OAHLLOKOSA-N -1 1 372.226 2.411 20 0 FEADMM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2cn[nH]c21 ZINC000158654222 672271471 /nfs/dbraw/zinc/27/14/71/672271471.db2.gz DZCPJGNEWMMHJY-UHFFFAOYSA-N -1 1 370.312 2.095 20 0 FEADMM Cn1c2ccc(NC(=O)Cc3sc(N)nc3[O-])cc2nc1C(C)(C)C ZINC000162248132 672303231 /nfs/dbraw/zinc/30/32/31/672303231.db2.gz JMPFGQGQDBFSNS-LBPRGKRZSA-N -1 1 359.455 2.156 20 0 FEADMM Cc1cnccc1CCNC(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000164065181 672311604 /nfs/dbraw/zinc/31/16/04/672311604.db2.gz PEHMAHHHGATMFN-UHFFFAOYSA-N -1 1 350.781 2.369 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000175775001 672370652 /nfs/dbraw/zinc/37/06/52/672370652.db2.gz MWNGOPUPCMGHSJ-UHFFFAOYSA-N -1 1 364.185 2.427 20 0 FEADMM O=C(/C=C/c1ccc(O)c(O)c1)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000181154739 672422882 /nfs/dbraw/zinc/42/28/82/672422882.db2.gz VIMWTMDDLUEVMY-QHHAFSJGSA-N -1 1 350.733 2.365 20 0 FEADMM Cn1nc2c(c1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)CCCC2 ZINC000678655279 672435623 /nfs/dbraw/zinc/43/56/23/672435623.db2.gz IEXNOMPJKXILHU-UHFFFAOYSA-N -1 1 366.418 2.062 20 0 FEADMM O=C([N-]c1nn2cnnc2s1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000588213935 672458164 /nfs/dbraw/zinc/45/81/64/672458164.db2.gz DWOLIVCSTZHGGO-UHFFFAOYSA-N -1 1 372.391 2.290 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)n[nH]1 ZINC000184176616 672493059 /nfs/dbraw/zinc/49/30/59/672493059.db2.gz OLIUEMKVTYNMGU-UHFFFAOYSA-N -1 1 359.720 2.439 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)C=Cc2cccc(Cl)c2)n1 ZINC000184241484 672494909 /nfs/dbraw/zinc/49/49/09/672494909.db2.gz LRXNUJOLQRTSSQ-VOTSOKGWSA-N -1 1 354.819 2.364 20 0 FEADMM NC(=O)c1ccc(F)c(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1 ZINC000184395685 672498800 /nfs/dbraw/zinc/49/88/00/672498800.db2.gz LQQMJPQPOWIGNF-UHFFFAOYSA-N -1 1 368.727 2.184 20 0 FEADMM COc1ccccc1NCC(=O)N[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000184421464 672498835 /nfs/dbraw/zinc/49/88/35/672498835.db2.gz PBLCZCHRJJIYAD-UHFFFAOYSA-N -1 1 369.755 2.500 20 0 FEADMM CN(CC(=O)[O-])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000679561376 672506464 /nfs/dbraw/zinc/50/64/64/672506464.db2.gz SYTANNQLEPXZQF-UHFFFAOYSA-N -1 1 353.850 2.278 20 0 FEADMM CCOC(=O)CN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000589344766 672522820 /nfs/dbraw/zinc/52/28/20/672522820.db2.gz DFPZPYQMWLVIKK-UHFFFAOYSA-N -1 1 367.199 2.338 20 0 FEADMM Cn1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000589461362 672527261 /nfs/dbraw/zinc/52/72/61/672527261.db2.gz CCSGDMTUIPTHOZ-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000589965049 672550278 /nfs/dbraw/zinc/55/02/78/672550278.db2.gz NSBCISQLSHFTBQ-UHFFFAOYSA-N -1 1 369.370 2.265 20 0 FEADMM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000680428772 672574009 /nfs/dbraw/zinc/57/40/09/672574009.db2.gz BSKAEZVJNUWUIY-NSHDSACASA-N -1 1 358.360 2.136 20 0 FEADMM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000187884998 672579013 /nfs/dbraw/zinc/57/90/13/672579013.db2.gz QPVPOFUKQXAGIZ-WDEREUQCSA-N -1 1 373.236 2.431 20 0 FEADMM COC(=O)CCSCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000611453414 676037980 /nfs/dbraw/zinc/03/79/80/676037980.db2.gz BVKSUVIGWWCFFG-UHFFFAOYSA-N -1 1 351.346 2.437 20 0 FEADMM O=C(C1CC1)N1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000680975305 672617968 /nfs/dbraw/zinc/61/79/68/672617968.db2.gz XRESWMDEGJCFKM-UHFFFAOYSA-N -1 1 360.838 2.158 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(Br)c(F)cc2C)n[nH]1 ZINC000190922269 672655318 /nfs/dbraw/zinc/65/53/18/672655318.db2.gz GPNDPFUMMXHEPL-UHFFFAOYSA-N -1 1 370.182 2.395 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1cc(C)cc(C)c1 ZINC000592047042 672741734 /nfs/dbraw/zinc/74/17/34/672741734.db2.gz IIAIDICTXUXRHZ-HZPDHXFCSA-N -1 1 357.472 2.108 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000592072998 672747422 /nfs/dbraw/zinc/74/74/22/672747422.db2.gz AFLVSWNSQCKHOE-VIFPVBQESA-N -1 1 353.362 2.360 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000592075677 672748996 /nfs/dbraw/zinc/74/89/96/672748996.db2.gz OYWVCQIEYHFEPU-LBPRGKRZSA-N -1 1 365.398 2.230 20 0 FEADMM CCC(CC)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106490 672758577 /nfs/dbraw/zinc/75/85/77/672758577.db2.gz VRYLTHDGXIJADM-AWEZNQCLSA-N -1 1 359.492 2.159 20 0 FEADMM O=S(=O)([N-]CC1(CO)CC1)c1cc(Cl)c(Br)cc1F ZINC000682613316 672778916 /nfs/dbraw/zinc/77/89/16/672778916.db2.gz IAGMFOHVWIAZCC-UHFFFAOYSA-N -1 1 372.643 2.292 20 0 FEADMM O=S(=O)(Cc1noc2c1CCCC2)c1nnc(Cc2ccccc2)[n-]1 ZINC000195290092 672781053 /nfs/dbraw/zinc/78/10/53/672781053.db2.gz GNEMIGJTYCPJGZ-UHFFFAOYSA-N -1 1 358.423 2.236 20 0 FEADMM O=S(=O)(Cc1noc2c1CCCC2)c1nc(Cc2ccccc2)n[n-]1 ZINC000195290092 672781054 /nfs/dbraw/zinc/78/10/54/672781054.db2.gz GNEMIGJTYCPJGZ-UHFFFAOYSA-N -1 1 358.423 2.236 20 0 FEADMM O=S(=O)(Cc1noc2c1CCCC2)c1n[n-]c(Cc2ccccc2)n1 ZINC000195290092 672781057 /nfs/dbraw/zinc/78/10/57/672781057.db2.gz GNEMIGJTYCPJGZ-UHFFFAOYSA-N -1 1 358.423 2.236 20 0 FEADMM O=S(=O)([N-]CC[C@H]1CCOC1)c1cc(Br)cnc1Cl ZINC000230140466 672798735 /nfs/dbraw/zinc/79/87/35/672798735.db2.gz YVNZKKQBTPDTKL-QMMMGPOBSA-N -1 1 369.668 2.202 20 0 FEADMM Cn1cccc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000231660290 672799831 /nfs/dbraw/zinc/79/98/31/672799831.db2.gz SFOFCCKHWNHQNJ-UHFFFAOYSA-N -1 1 374.216 2.174 20 0 FEADMM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000612006201 676063796 /nfs/dbraw/zinc/06/37/96/676063796.db2.gz GEUSKPGMLAOCPB-UHFFFAOYSA-N -1 1 365.407 2.438 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)[C@@H]1SC ZINC000592708986 672829267 /nfs/dbraw/zinc/82/92/67/672829267.db2.gz MOGSBBTXMZYQIV-BZPMIXESSA-N -1 1 371.528 2.170 20 0 FEADMM C[C@H](C(=O)[O-])N(C(=O)c1[nH]nc2ccc(Br)cc21)C1CC1 ZINC000263550344 672935956 /nfs/dbraw/zinc/93/59/56/672935956.db2.gz 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ZINC000594453290 673074341 /nfs/dbraw/zinc/07/43/41/673074341.db2.gz IMMNOUDNLBEBBD-AWEZNQCLSA-N -1 1 367.826 2.095 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCS[C@H]2C)c1F ZINC000594466636 673078472 /nfs/dbraw/zinc/07/84/72/673078472.db2.gz BWVASMPJGZMNIE-XVKPBYJWSA-N -1 1 367.851 2.438 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)o1 ZINC000594475875 673082263 /nfs/dbraw/zinc/08/22/63/673082263.db2.gz YJTWHABMJMHLMT-SWLSCSKDSA-N -1 1 357.428 2.082 20 0 FEADMM CO[C@H]1CC[C@@H]1N(C)C(=O)c1cc(I)ccc1[O-] ZINC000724129884 673087971 /nfs/dbraw/zinc/08/79/71/673087971.db2.gz RSPCGXNAMPSYOF-JQWIXIFHSA-N -1 1 361.179 2.246 20 0 FEADMM CCCCCCOc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000725893533 673095671 /nfs/dbraw/zinc/09/56/71/673095671.db2.gz JCOQLZYPFRFBLI-UHFFFAOYSA-N -1 1 366.443 2.420 20 0 FEADMM CCCCCCOc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000725893533 673095676 /nfs/dbraw/zinc/09/56/76/673095676.db2.gz JCOQLZYPFRFBLI-UHFFFAOYSA-N -1 1 366.443 2.420 20 0 FEADMM COc1ccnc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000726366020 673119145 /nfs/dbraw/zinc/11/91/45/673119145.db2.gz MGIFIONBLIAORC-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](N2CCOCC2)C1 ZINC000382512622 673156874 /nfs/dbraw/zinc/15/68/74/673156874.db2.gz OKELDPFTUUUBFB-ZDUSSCGKSA-N -1 1 369.259 2.092 20 0 FEADMM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CC1 ZINC000594861089 673168577 /nfs/dbraw/zinc/16/85/77/673168577.db2.gz AXFOFGWLZCHUBS-LBPRGKRZSA-N -1 1 355.387 2.440 20 0 FEADMM CCCN(Cc1c(F)cccc1Cl)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000727849776 673184462 /nfs/dbraw/zinc/18/44/62/673184462.db2.gz MITAPQFQZZXWEV-UHFFFAOYSA-N -1 1 367.808 2.158 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)cc1C ZINC000595301902 673219364 /nfs/dbraw/zinc/21/93/64/673219364.db2.gz JAVDEBDQCUUOBC-ZDUSSCGKSA-N -1 1 353.371 2.480 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(O)c1 ZINC000442842836 673222393 /nfs/dbraw/zinc/22/23/93/673222393.db2.gz IZGQMZOMHTZREB-UHFFFAOYSA-N -1 1 351.380 2.219 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(O)c1 ZINC000442843490 673222465 /nfs/dbraw/zinc/22/24/65/673222465.db2.gz JZZCPAAVICVUHE-UHFFFAOYSA-N -1 1 355.343 2.347 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(F)cc2)cc1C ZINC000595319264 673223249 /nfs/dbraw/zinc/22/32/49/673223249.db2.gz ZSARZRQNKGXNGP-LLVKDONJSA-N -1 1 371.386 2.260 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccnc(OC(C)C)c2)cc1C ZINC000595323963 673224692 /nfs/dbraw/zinc/22/46/92/673224692.db2.gz XULHZYTXEZJZEI-UHFFFAOYSA-N -1 1 368.411 2.035 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)cc1C ZINC000595331728 673226205 /nfs/dbraw/zinc/22/62/05/673226205.db2.gz BXVHWPWNMSNFMB-IINYFYTJSA-N -1 1 351.380 2.175 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(OC)c2)cc1C ZINC000595330973 673226338 /nfs/dbraw/zinc/22/63/38/673226338.db2.gz GPEUIKCTDWXRBY-UONOGXRCSA-N -1 1 365.407 2.218 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)o1 ZINC000462682720 673274368 /nfs/dbraw/zinc/27/43/68/673274368.db2.gz SPPONFDAWVMYOO-VIFPVBQESA-N -1 1 359.350 2.426 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCOc2cccc(C)c2)o1 ZINC000730811210 673291856 /nfs/dbraw/zinc/29/18/56/673291856.db2.gz HEURGCNDJJQQSD-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM O=C(Cc1cccc(OC(F)F)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509296180 673342870 /nfs/dbraw/zinc/34/28/70/673342870.db2.gz XQSOTNBPFBCQNZ-UHFFFAOYSA-N -1 1 353.325 2.325 20 0 FEADMM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2cnc[nH]2)cc1Br ZINC000514707719 673347314 /nfs/dbraw/zinc/34/73/14/673347314.db2.gz WCZZIIVPZFKUKN-UHFFFAOYSA-N -1 1 373.232 2.240 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2COC(C)C)co1 ZINC000535958216 673356690 /nfs/dbraw/zinc/35/66/90/673356690.db2.gz FFTUJBRKSUWHIS-UHFFFAOYSA-N -1 1 366.439 2.043 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)o1 ZINC000537436967 673389756 /nfs/dbraw/zinc/38/97/56/673389756.db2.gz SODMAHLMONESMZ-OLZOCXBDSA-N -1 1 359.444 2.328 20 0 FEADMM Cn1ncc2c1nc(Sc1n[nH]c(-c3cc(F)cc(F)c3)n1)[n-]c2=O ZINC000537833076 673410151 /nfs/dbraw/zinc/41/01/51/673410151.db2.gz CAXZMYPFNKRSIO-UHFFFAOYSA-N -1 1 361.337 2.283 20 0 FEADMM COc1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1OC ZINC000538050814 673420101 /nfs/dbraw/zinc/42/01/01/673420101.db2.gz PBRCZGKPWFNCTJ-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM COC(=O)c1sccc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000538515504 673443892 /nfs/dbraw/zinc/44/38/92/673443892.db2.gz ARZZGOVNISAFMH-UHFFFAOYSA-N -1 1 353.425 2.378 20 0 FEADMM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc4scc(C)n4c3=O)n2)o1 ZINC000539531384 673494849 /nfs/dbraw/zinc/49/48/49/673494849.db2.gz YXFFJOWJWXQMQK-UHFFFAOYSA-N -1 1 356.367 2.003 20 0 FEADMM O=S(=O)([N-]CCNc1ncccn1)c1cc(Cl)sc1Cl ZINC000736333646 673520653 /nfs/dbraw/zinc/52/06/53/673520653.db2.gz KXUWJJQJOUPGJT-UHFFFAOYSA-N -1 1 353.256 2.235 20 0 FEADMM COC(=O)C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000598272494 673554361 /nfs/dbraw/zinc/55/43/61/673554361.db2.gz JITNQFGQEHGDLI-LLVKDONJSA-N -1 1 356.216 2.474 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000542007816 673559099 /nfs/dbraw/zinc/55/90/99/673559099.db2.gz YBMCSWCPDLFXFA-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)c1F ZINC000599250633 673648634 /nfs/dbraw/zinc/64/86/34/673648634.db2.gz CGLCVIMWOHWNDO-SNVBAGLBSA-N -1 1 370.377 2.056 20 0 FEADMM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000543631795 673657517 /nfs/dbraw/zinc/65/75/17/673657517.db2.gz QPIHSFCWXPXHHX-SNVBAGLBSA-N -1 1 366.386 2.402 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(OCCO)c(C)c2)c1 ZINC000543910453 673677973 /nfs/dbraw/zinc/67/79/73/673677973.db2.gz BSEINRKQSFBIBT-UHFFFAOYSA-N -1 1 367.423 2.184 20 0 FEADMM C[C@H](C[C@H](C)O)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000544027693 673684338 /nfs/dbraw/zinc/68/43/38/673684338.db2.gz IUOHYPXJBWEZRY-KGLIPLIRSA-N -1 1 362.451 2.377 20 0 FEADMM COc1cc(NC(=O)NC[C@H]2CCCCS2)ccc1[N-]S(C)(=O)=O ZINC000544251086 673700490 /nfs/dbraw/zinc/70/04/90/673700490.db2.gz SGZOZYDYYYEZOE-GFCCVEGCSA-N -1 1 373.500 2.474 20 0 FEADMM CCCCOCCOCC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544714050 673728507 /nfs/dbraw/zinc/72/85/07/673728507.db2.gz YTDSOYNWIDLHEA-UHFFFAOYSA-N -1 1 370.265 2.154 20 0 FEADMM COc1cc2[n-]cc(C(=O)NCCSC(C)C)c(=O)c2c(OC)c1 ZINC000599937951 673728970 /nfs/dbraw/zinc/72/89/70/673728970.db2.gz IZGLECDIWPIXPN-UHFFFAOYSA-N -1 1 350.440 2.417 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)c1 ZINC000743265760 673754242 /nfs/dbraw/zinc/75/42/42/673754242.db2.gz YGGWQSLHRGBEFM-UHFFFAOYSA-N -1 1 361.423 2.416 20 0 FEADMM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CC1 ZINC000545385648 673765152 /nfs/dbraw/zinc/76/51/52/673765152.db2.gz HMNQBVLTSNSOAU-SNVBAGLBSA-N -1 1 357.801 2.437 20 0 FEADMM O=C(NCc1nn[n-]n1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000600493780 673774246 /nfs/dbraw/zinc/77/42/46/673774246.db2.gz DJKWFQXKAKECCE-UHFFFAOYSA-N -1 1 354.317 2.272 20 0 FEADMM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc(I)ccc1[O-] ZINC000600521694 673776367 /nfs/dbraw/zinc/77/63/67/673776367.db2.gz LVRQZBMDERZFHR-MFKMUULPSA-N -1 1 373.190 2.294 20 0 FEADMM CCOc1cc(C(=O)NCCn2cnnc2C2CC2)cc(Cl)c1[O-] ZINC000545856714 673777662 /nfs/dbraw/zinc/77/76/62/673777662.db2.gz PMJLIPINCCUZLN-UHFFFAOYSA-N -1 1 350.806 2.343 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000600701715 673792777 /nfs/dbraw/zinc/79/27/77/673792777.db2.gz MWTJLYOYXGASHN-ICCXJUOJSA-N -1 1 350.415 2.032 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000601342711 673845475 /nfs/dbraw/zinc/84/54/75/673845475.db2.gz DCPMGKLSBMQVKP-MWLCHTKSSA-N -1 1 353.412 2.317 20 0 FEADMM COc1cc(NC(=O)N2CCCC3(CC3)C2)ccc1[N-]S(C)(=O)=O ZINC000547448776 673851620 /nfs/dbraw/zinc/85/16/20/673851620.db2.gz IAQIQNIXAKETGA-UHFFFAOYSA-N -1 1 353.444 2.475 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1 ZINC000745978502 673859795 /nfs/dbraw/zinc/85/97/95/673859795.db2.gz LOGABJQKHGASAB-UHFFFAOYSA-N -1 1 362.407 2.257 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1(C(C)=O)CC1 ZINC000601439197 673862701 /nfs/dbraw/zinc/86/27/01/673862701.db2.gz OFSXTIJBEVEKAL-UHFFFAOYSA-N -1 1 366.222 2.180 20 0 FEADMM C[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000746601638 673885694 /nfs/dbraw/zinc/88/56/94/673885694.db2.gz PJXZRIJNJZCLAM-UFBFGSQYSA-N -1 1 356.213 2.210 20 0 FEADMM Cc1ccccc1C[C@H](CNS(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000547891762 673898533 /nfs/dbraw/zinc/89/85/33/673898533.db2.gz KMYXPCWAMSBYSV-CYBMUJFWSA-N -1 1 369.389 2.495 20 0 FEADMM COc1cccc(CS(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000547931486 673905907 /nfs/dbraw/zinc/90/59/07/673905907.db2.gz AWVGASBBTFQFRE-UHFFFAOYSA-N -1 1 369.370 2.483 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1n[nH]c(CC)c1C ZINC000566467869 675216885 /nfs/dbraw/zinc/21/68/85/675216885.db2.gz ZGVLXXYIJDWYJR-UHFFFAOYSA-N -1 1 350.444 2.685 20 0 FEADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c1 ZINC000566833073 675245809 /nfs/dbraw/zinc/24/58/09/675245809.db2.gz ARPNJOAEYAGZIQ-UHFFFAOYSA-N -1 1 367.427 2.150 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@H]2C2CCC2)c(=O)[n-]1 ZINC000567591466 675304715 /nfs/dbraw/zinc/30/47/15/675304715.db2.gz UMKPMMYYOIQMSS-AWEZNQCLSA-N -1 1 351.472 2.173 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(OC)[C@H](C)c2ccccc2C)o1 ZINC000820034684 675331974 /nfs/dbraw/zinc/33/19/74/675331974.db2.gz XZWIHZXBFPQZED-GFCCVEGCSA-N -1 1 352.412 2.261 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1C ZINC000568396609 675371405 /nfs/dbraw/zinc/37/14/05/675371405.db2.gz PUKNFXIOCKWCIG-QWHCGFSZSA-N -1 1 350.415 2.176 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1[N-]S(=O)(=O)N1CCC(C)CC1 ZINC000568554677 675382687 /nfs/dbraw/zinc/38/26/87/675382687.db2.gz LDIGLGBVGJVWMB-UHFFFAOYSA-N -1 1 353.423 2.103 20 0 FEADMM CN1CCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3Br)cc21 ZINC000820798613 675389716 /nfs/dbraw/zinc/38/97/16/675389716.db2.gz BKAREZDGCZTLAL-UHFFFAOYSA-N -1 1 371.260 2.355 20 0 FEADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000615816500 676230465 /nfs/dbraw/zinc/23/04/65/676230465.db2.gz SWJGBLNBTKACLR-CHIMOYNISA-N -1 1 353.802 2.468 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000822530625 675490720 /nfs/dbraw/zinc/49/07/20/675490720.db2.gz KAJUDSWANMWLPS-UHFFFAOYSA-N -1 1 364.818 2.327 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000822530625 675490722 /nfs/dbraw/zinc/49/07/22/675490722.db2.gz KAJUDSWANMWLPS-UHFFFAOYSA-N -1 1 364.818 2.327 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCc2ccc(Cl)cc2)n1 ZINC000822614601 675495867 /nfs/dbraw/zinc/49/58/67/675495867.db2.gz OHWYYCQZBQQMAV-UHFFFAOYSA-N -1 1 360.809 2.008 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCc2ccc(Cl)cc2)n1 ZINC000822614601 675495868 /nfs/dbraw/zinc/49/58/68/675495868.db2.gz OHWYYCQZBQQMAV-UHFFFAOYSA-N -1 1 360.809 2.008 20 0 FEADMM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ncccc1Br ZINC000656958992 677886988 /nfs/dbraw/zinc/88/69/88/677886988.db2.gz PRLBPJJCRQUVHE-NSHDSACASA-N -1 1 363.277 2.472 20 0 FEADMM O=C(OCc1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823421768 675551758 /nfs/dbraw/zinc/55/17/58/675551758.db2.gz HUHQFEAXEABRNU-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823421768 675551759 /nfs/dbraw/zinc/55/17/59/675551759.db2.gz HUHQFEAXEABRNU-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000824345072 675596529 /nfs/dbraw/zinc/59/65/29/675596529.db2.gz BVZNYPRBXFKOGJ-BRXULGCHSA-N -1 1 362.392 2.394 20 0 FEADMM Cc1ccccc1[C@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCN1 ZINC000825161707 675639398 /nfs/dbraw/zinc/63/93/98/675639398.db2.gz FVOSFHNHWQFGIC-OAHLLOKOSA-N -1 1 353.451 2.113 20 0 FEADMM C[C@@H](C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1cccc(O)c1 ZINC000826685082 675700189 /nfs/dbraw/zinc/70/01/89/675700189.db2.gz AZULDBYZYRBZPF-GYSYKLTISA-N -1 1 358.360 2.411 20 0 FEADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc2n[n-]c(=S)n2c1 ZINC000827527107 675762320 /nfs/dbraw/zinc/76/23/20/675762320.db2.gz XYYIFYOZLZRRDI-CKYFFXLPSA-N -1 1 352.510 2.127 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)ccc1F ZINC000605651841 675822543 /nfs/dbraw/zinc/82/25/43/675822543.db2.gz YSHKDLHHRKYJSF-UHFFFAOYSA-N -1 1 366.374 2.076 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]CC(=O)OCc1ccccc1)c1ccccc1 ZINC000829684459 675887321 /nfs/dbraw/zinc/88/73/21/675887321.db2.gz OXLQVHMCPHYXDF-KRWDZBQOSA-N -1 1 363.435 2.037 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](C)CSc2ccc(F)cc2)n[n-]1 ZINC000616028710 676237222 /nfs/dbraw/zinc/23/72/22/676237222.db2.gz PPTGPOSJFQHJQU-SNVBAGLBSA-N -1 1 366.418 2.165 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)CSc2ccc(F)cc2)n1 ZINC000616028710 676237224 /nfs/dbraw/zinc/23/72/24/676237224.db2.gz PPTGPOSJFQHJQU-SNVBAGLBSA-N -1 1 366.418 2.165 20 0 FEADMM CCCC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000617031319 676267765 /nfs/dbraw/zinc/26/77/65/676267765.db2.gz SXCVQVPZSQDPEA-UHFFFAOYSA-N -1 1 365.411 2.179 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)o1 ZINC000619096149 676363368 /nfs/dbraw/zinc/36/33/68/676363368.db2.gz INFZLEYTZWCMAJ-QWHCGFSZSA-N -1 1 370.471 2.044 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)o1 ZINC000619157035 676365342 /nfs/dbraw/zinc/36/53/42/676365342.db2.gz DYDUABXYRFIHTF-CMPLNLGQSA-N -1 1 354.815 2.127 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCC(F)F)c2)n1 ZINC000619450219 676377022 /nfs/dbraw/zinc/37/70/22/676377022.db2.gz JXPCVRAPOKGTMN-UHFFFAOYSA-N -1 1 352.341 2.310 20 0 FEADMM O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1c(F)ccc([O-])c1F ZINC000619968358 676401023 /nfs/dbraw/zinc/40/10/23/676401023.db2.gz ANXDLMSKQFZYQR-ZIAGYGMSSA-N -1 1 352.381 2.044 20 0 FEADMM CO[C@@]1(C)C[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000620561769 676421421 /nfs/dbraw/zinc/42/14/21/676421421.db2.gz UXBNFUXWRNHHMU-AEFFLSMTSA-N -1 1 360.435 2.395 20 0 FEADMM CC(=O)N(C)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000620877589 676433451 /nfs/dbraw/zinc/43/34/51/676433451.db2.gz YEFVBWJDWJJNSJ-UHFFFAOYSA-N -1 1 354.409 2.230 20 0 FEADMM O=S(=O)([N-]CCN1Cc2ccccc2C1)c1ccc(F)c(F)c1F ZINC000620943645 676435325 /nfs/dbraw/zinc/43/53/25/676435325.db2.gz UJKYHNMWWSTASZ-UHFFFAOYSA-N -1 1 356.369 2.398 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)co1 ZINC000621220761 676446484 /nfs/dbraw/zinc/44/64/84/676446484.db2.gz DJTJHZSYDOGCNR-SFHVURJKSA-N -1 1 362.451 2.285 20 0 FEADMM COc1cc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)ccn1 ZINC000621994258 676484628 /nfs/dbraw/zinc/48/46/28/676484628.db2.gz MQILLBDGQIXSSN-UHFFFAOYSA-N -1 1 350.444 2.305 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cc(C)c(Cl)cc3C)nc2n1 ZINC000622997892 676514692 /nfs/dbraw/zinc/51/46/92/676514692.db2.gz PVZBABZQBSVVJJ-UHFFFAOYSA-N -1 1 359.817 2.315 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)nc2n1 ZINC000622994990 676514880 /nfs/dbraw/zinc/51/48/80/676514880.db2.gz KTEQECPKMRFWKW-BDAKNGLRSA-N -1 1 357.336 2.287 20 0 FEADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2ccn(-c3ncccc3F)n2)C1 ZINC000677550393 679685510 /nfs/dbraw/zinc/68/55/10/679685510.db2.gz VVWRZTZNQVCKDR-VXGBXAGGSA-N -1 1 353.423 2.041 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2C)no1 ZINC000625017114 676610844 /nfs/dbraw/zinc/61/08/44/676610844.db2.gz WEXWOCCRANAATA-UHFFFAOYSA-N -1 1 364.196 2.067 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2NC1=O)C1CCCCC1 ZINC000625522325 676653464 /nfs/dbraw/zinc/65/34/64/676653464.db2.gz UWVGJXMEVDEETG-SJORKVTESA-N -1 1 366.483 2.065 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(F)c1 ZINC000625543361 676655266 /nfs/dbraw/zinc/65/52/66/676655266.db2.gz RSSBESLSELBLQG-HIFRSBDPSA-N -1 1 370.377 2.182 20 0 FEADMM CN(C)[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1c(F)cccc1Cl ZINC000677925230 679704307 /nfs/dbraw/zinc/70/43/07/679704307.db2.gz CJOBHWIYAGVBBN-YGRLFVJLSA-N -1 1 366.828 2.001 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CCc2ccccc2)C(F)F)o1 ZINC000628758396 676817404 /nfs/dbraw/zinc/81/74/04/676817404.db2.gz WWCRLSQZASSLCC-GFCCVEGCSA-N -1 1 372.393 2.184 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(C)c1)C1CC1 ZINC000629289736 676841101 /nfs/dbraw/zinc/84/11/01/676841101.db2.gz ODQMJEURSNJOQV-MRXNPFEDSA-N -1 1 354.472 2.254 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(N)=O)c(OC(C)C)c1)C1CC1 ZINC000629297437 676842588 /nfs/dbraw/zinc/84/25/88/676842588.db2.gz GOTYBRIEHDFMCI-INIZCTEOSA-N -1 1 370.471 2.130 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000629498411 676857536 /nfs/dbraw/zinc/85/75/36/676857536.db2.gz KFQITEFWPFUURU-SGMGOOAPSA-N -1 1 350.415 2.073 20 0 FEADMM CO[C@H]1C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000629682062 676865109 /nfs/dbraw/zinc/86/51/09/676865109.db2.gz BCHARVVDFHOVKU-WKILWMFISA-N -1 1 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CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000653847375 677551240 /nfs/dbraw/zinc/55/12/40/677551240.db2.gz UVLAWKVCCBAYLB-LLVKDONJSA-N -1 1 365.373 2.450 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2nc(C)no2)c(=O)[n-]1 ZINC000654195708 677565955 /nfs/dbraw/zinc/56/59/55/677565955.db2.gz HKNMJHGEQLAVIT-SECBINFHSA-N -1 1 351.432 2.056 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H]1CCCCO1 ZINC000654293455 677572984 /nfs/dbraw/zinc/57/29/84/677572984.db2.gz KPRLZJJEDKMGFG-CHWSQXEVSA-N -1 1 372.487 2.434 20 0 FEADMM COC1CCN(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)CC1 ZINC000656624149 677790073 /nfs/dbraw/zinc/79/00/73/677790073.db2.gz LWADMNSWYDLHDB-UHFFFAOYSA-N -1 1 372.397 2.122 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn(-c2ccccn2)c1)C1CCCC1 ZINC000656624566 677790454 /nfs/dbraw/zinc/79/04/54/677790454.db2.gz POZBABHTFXLPRP-HNNXBMFYSA-N -1 1 350.444 2.214 20 0 FEADMM CO[C@@H](CS(=O)(=O)Nc1cccc(C(=O)[O-])c1O)C1CCCCC1 ZINC000656628848 677794125 /nfs/dbraw/zinc/79/41/25/677794125.db2.gz QNAQBHGMRMNJIF-AWEZNQCLSA-N -1 1 357.428 2.427 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4c(c3)CCOC4)cc12 ZINC000656643349 677799697 /nfs/dbraw/zinc/79/96/97/677799697.db2.gz CUWYRBGHITXYNJ-UHFFFAOYSA-N -1 1 358.423 2.150 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000656730803 677820273 /nfs/dbraw/zinc/82/02/73/677820273.db2.gz JTTSTXHACDVRFR-LSDHHAIUSA-N -1 1 365.455 2.178 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2cc3ccccc3nc2Cl)[n-]1 ZINC000761834808 680732561 /nfs/dbraw/zinc/73/25/61/680732561.db2.gz FJYRNMCGJIQCDC-UHFFFAOYSA-N -1 1 352.803 2.127 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2cc3ccccc3nc2Cl)n[n-]1 ZINC000761834808 680732562 /nfs/dbraw/zinc/73/25/62/680732562.db2.gz FJYRNMCGJIQCDC-UHFFFAOYSA-N -1 1 352.803 2.127 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1cnc(Cl)c(F)c1 ZINC000761948332 680735597 /nfs/dbraw/zinc/73/55/97/680735597.db2.gz AMHJMEOSOAOEKX-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM CC[C@](C)(NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CC1 ZINC000657179396 677974200 /nfs/dbraw/zinc/97/42/00/677974200.db2.gz RHZRQALNEOHTFR-AWEZNQCLSA-N -1 1 364.464 2.054 20 0 FEADMM CC(=O)N[C@H]1CCCN([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC000659786741 678206308 /nfs/dbraw/zinc/20/63/08/678206308.db2.gz ZXPKJLPOHLYVIB-FZMZJTMJSA-N -1 1 355.232 2.175 20 0 FEADMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cn2)C1(F)F ZINC000660022105 678255973 /nfs/dbraw/zinc/25/59/73/678255973.db2.gz RZUNEUSUBPTUBH-MRVPVSSYSA-N -1 1 355.204 2.414 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(CC[C@H]3Sc4ccccc4NC3=O)C2)n[nH]1 ZINC000660559733 678357362 /nfs/dbraw/zinc/35/73/62/678357362.db2.gz YKQWCLKQLOJKTJ-SMDDNHRTSA-N -1 1 359.455 2.193 20 0 FEADMM N[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1cccc(Br)c1 ZINC000763092055 680772192 /nfs/dbraw/zinc/77/21/92/680772192.db2.gz PINOXNJUGCIHSJ-ZDUSSCGKSA-N -1 1 365.183 2.491 20 0 FEADMM O=C([N-]OCCC(F)(F)F)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000839731373 680775044 /nfs/dbraw/zinc/77/50/44/680775044.db2.gz REBUREPULDGSDE-GFCCVEGCSA-N -1 1 362.323 2.217 20 0 FEADMM O=C(NN1CC(=O)[N-]C1=O)c1ccccc1NCc1ccccc1Cl ZINC000763434836 680783024 /nfs/dbraw/zinc/78/30/24/680783024.db2.gz NMVBQCHNPKSCSD-UHFFFAOYSA-N -1 1 358.785 2.149 20 0 FEADMM O=C([O-])CN1CC[C@@H](N2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000662203516 678589706 /nfs/dbraw/zinc/58/97/06/678589706.db2.gz FFWPHPJASXOJAA-GXTWGEPZSA-N -1 1 359.451 2.161 20 0 FEADMM CC[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1cc(F)cc(Br)c1 ZINC000662212972 678591575 /nfs/dbraw/zinc/59/15/75/678591575.db2.gz ZAXPSMJYRAQJRS-QWHCGFSZSA-N -1 1 373.222 2.314 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000663208443 678700769 /nfs/dbraw/zinc/70/07/69/678700769.db2.gz HZIVTYKVLKSJGB-UHFFFAOYSA-N -1 1 361.471 2.171 20 0 FEADMM O=C([O-])[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C1CCC1 ZINC000663255399 678709527 /nfs/dbraw/zinc/70/95/27/678709527.db2.gz JDYQLTBBSCITBY-SNVBAGLBSA-N -1 1 367.345 2.190 20 0 FEADMM O=C([O-])[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1cccs1 ZINC000663271229 678712319 /nfs/dbraw/zinc/71/23/19/678712319.db2.gz KENMOGCAKJOBIB-GDBMZVCRSA-N -1 1 359.451 2.448 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cnn(-c3ccccn3)c2C)[nH]nc1C1CC1 ZINC000764535080 680813457 /nfs/dbraw/zinc/81/34/57/680813457.db2.gz YRLZIVFCXFFUOJ-UHFFFAOYSA-N -1 1 358.427 2.285 20 0 FEADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000665799002 678984973 /nfs/dbraw/zinc/98/49/73/678984973.db2.gz YFIVQCVYYHLMIH-FVQHAEBGSA-N -1 1 358.419 2.318 20 0 FEADMM COc1ccc(NC(=O)N(C)CC2=CCSC2)cc1[N-]S(C)(=O)=O ZINC000666200880 679008693 /nfs/dbraw/zinc/00/86/93/679008693.db2.gz KVNRNWMGXXIJHN-UHFFFAOYSA-N -1 1 371.484 2.204 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000765051936 680828984 /nfs/dbraw/zinc/82/89/84/680828984.db2.gz SKGONMCPZRFVPJ-NSHDSACASA-N -1 1 356.213 2.126 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000765099670 680831128 /nfs/dbraw/zinc/83/11/28/680831128.db2.gz XDSCBLTYHKRBBD-UHFFFAOYSA-N -1 1 369.491 2.001 20 0 FEADMM O=C(Cc1sc(N2CCC2)nc1[O-])Nc1ccccc1Br ZINC000840700363 680838796 /nfs/dbraw/zinc/83/87/96/680838796.db2.gz AHGIGMBVDSJQHI-LLVKDONJSA-N -1 1 368.256 2.481 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)CCc2cccs2)C2CCOCC2)n1 ZINC000671415963 679324552 /nfs/dbraw/zinc/32/45/52/679324552.db2.gz HBXSNLODSQQIGG-CQSZACIVSA-N -1 1 371.484 2.069 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)no1 ZINC000671658327 679338963 /nfs/dbraw/zinc/33/89/63/679338963.db2.gz DSOBCAWZKJKCDD-CQSZACIVSA-N -1 1 368.459 2.290 20 0 FEADMM Cn1[n-]c(COC(=O)CCCOc2ccc(Cl)cc2Cl)nc1=O ZINC000765434353 680842309 /nfs/dbraw/zinc/84/23/09/680842309.db2.gz WVBAUKCHGYYOJX-UHFFFAOYSA-N -1 1 360.197 2.318 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c(F)c1 ZINC000673587793 679439092 /nfs/dbraw/zinc/43/90/92/679439092.db2.gz LXMCNOSDCDLTQU-SNVBAGLBSA-N -1 1 355.362 2.428 20 0 FEADMM CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCc1nn[n-]n1 ZINC000674093052 679467427 /nfs/dbraw/zinc/46/74/27/679467427.db2.gz ZXQBWZZLNJSXTR-LBPRGKRZSA-N -1 1 366.263 2.483 20 0 FEADMM O=C1NCCc2c([N-]S(=O)(=O)c3ccc(OC4CC4)cc3)cccc21 ZINC000840916976 680852832 /nfs/dbraw/zinc/85/28/32/680852832.db2.gz MLLWGZJDTXGLCM-UHFFFAOYSA-N -1 1 358.419 2.315 20 0 FEADMM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000674676172 679499988 /nfs/dbraw/zinc/49/99/88/679499988.db2.gz NFDHXGIGDUAAFO-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(N)=O)sc1C ZINC000675294867 679539909 /nfs/dbraw/zinc/53/99/09/679539909.db2.gz UTVHVKGHFLVBLL-UHFFFAOYSA-N -1 1 368.436 2.217 20 0 FEADMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)s1 ZINC000675547764 679562475 /nfs/dbraw/zinc/56/24/75/679562475.db2.gz JVZHADOBBRWQBO-QMMMGPOBSA-N -1 1 354.457 2.347 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)c(F)c1 ZINC000676861609 679646028 /nfs/dbraw/zinc/64/60/28/679646028.db2.gz CDENPBPWRXJFDL-HNNXBMFYSA-N -1 1 357.378 2.294 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)c(F)c1 ZINC000676863789 679646497 /nfs/dbraw/zinc/64/64/97/679646497.db2.gz WCXWVVHSSVGCHX-LLVKDONJSA-N -1 1 351.415 2.296 20 0 FEADMM CC[C@@H](SC)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000747605629 679892100 /nfs/dbraw/zinc/89/21/00/679892100.db2.gz MZDFVFXEJJYEKI-LLVKDONJSA-N -1 1 361.366 2.229 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1nc2c(s1)CCC2 ZINC000831100466 679923132 /nfs/dbraw/zinc/92/31/32/679923132.db2.gz LSVARRMXDQKRIK-UHFFFAOYSA-N -1 1 350.469 2.130 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2cccc(OC(F)(F)F)c2)C1)C(F)(F)F ZINC000831140476 679931878 /nfs/dbraw/zinc/93/18/78/679931878.db2.gz YDZBYXLCGUJDGD-UHFFFAOYSA-N -1 1 370.249 2.336 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC[C@H](O)C2CCCC2)c(=O)[n-]1 ZINC000831357094 679971262 /nfs/dbraw/zinc/97/12/62/679971262.db2.gz JIQXGVMLVADNAN-AWEZNQCLSA-N -1 1 353.488 2.203 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1cccc2c1CCCC2 ZINC000748639721 679982912 /nfs/dbraw/zinc/98/29/12/679982912.db2.gz GHMLBXSYHZBYNQ-UHFFFAOYSA-N -1 1 355.423 2.342 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)c(C(F)(F)F)n1 ZINC000832141987 680100809 /nfs/dbraw/zinc/10/08/09/680100809.db2.gz NZIMCDNGQHBALC-QMMMGPOBSA-N -1 1 366.192 2.301 20 0 FEADMM O=S(=O)([N-]CC1(CF)CCOCC1)c1ccc(Cl)nc1Cl ZINC000832175297 680106031 /nfs/dbraw/zinc/10/60/31/680106031.db2.gz RPSRVZWKVVJNAT-UHFFFAOYSA-N -1 1 357.234 2.433 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC[C@]2(C)CC2(Cl)Cl)c1 ZINC000832364248 680127106 /nfs/dbraw/zinc/12/71/06/680127106.db2.gz FLNULPPXIUDJIK-LLVKDONJSA-N -1 1 356.227 2.319 20 0 FEADMM Cc1nonc1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000751998364 680216982 /nfs/dbraw/zinc/21/69/82/680216982.db2.gz PPUCHXFSSNEHAH-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)c4ncccc4[O-])[C@@H]3C2)s1 ZINC001021441243 680157081 /nfs/dbraw/zinc/15/70/81/680157081.db2.gz HNNLJPZUDNKYHJ-QWHCGFSZSA-N -1 1 357.435 2.144 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2Cl)o1 ZINC000751426259 680173520 /nfs/dbraw/zinc/17/35/20/680173520.db2.gz WYROWDBJQZRITL-GFCCVEGCSA-N -1 1 373.814 2.122 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000993931868 680199026 /nfs/dbraw/zinc/19/90/26/680199026.db2.gz WCPWLAKTRJGKGX-GHMZBOCLSA-N -1 1 363.801 2.172 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)c1ccoc1Cl ZINC000993938029 680199240 /nfs/dbraw/zinc/19/92/40/680199240.db2.gz CSJKYTJKSIPHDH-GHMZBOCLSA-N -1 1 363.801 2.172 20 0 FEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccoc1Cl ZINC000981236456 680222217 /nfs/dbraw/zinc/22/22/17/680222217.db2.gz HMWDENDTHLYXPW-WDEREUQCSA-N -1 1 363.801 2.362 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)c1ccc(F)s1 ZINC000994220392 680227351 /nfs/dbraw/zinc/22/73/51/680227351.db2.gz PWJBSSVDHVEIOM-GHMZBOCLSA-N -1 1 363.414 2.126 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCCCN2CCOC2=O)c1 ZINC000834667821 680254681 /nfs/dbraw/zinc/25/46/81/680254681.db2.gz CDKHGYHVGQULAT-UHFFFAOYSA-N -1 1 359.348 2.428 20 0 FEADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000834833684 680275156 /nfs/dbraw/zinc/27/51/56/680275156.db2.gz IBCHGUWHYIHYGP-ZDUSSCGKSA-N -1 1 359.813 2.106 20 0 FEADMM Cc1sccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000996144746 680320775 /nfs/dbraw/zinc/32/07/75/680320775.db2.gz NEXBAPGIDVTNPW-XBFCOCLRSA-N -1 1 357.435 2.333 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(OC(F)F)c2)co1 ZINC000756390879 680475919 /nfs/dbraw/zinc/47/59/19/680475919.db2.gz SFQZCECUPAQKOQ-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM CCC[C@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)OC ZINC000836523187 680479933 /nfs/dbraw/zinc/47/99/33/680479933.db2.gz HJJXTIKFBOUKKH-RVMXOQNASA-N -1 1 367.412 2.289 20 0 FEADMM Cc1cscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001001898912 680481300 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COc1ccc(NC(=S)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)cn1 ZINC000899667701 690402200 /nfs/dbraw/zinc/40/22/00/690402200.db2.gz TZUDJEFSUWFDAZ-NSHDSACASA-N -1 1 361.427 2.128 20 0 FEADMM CCN(C(=O)c1c([O-])cnc2c(F)cccc21)[C@@H](C)CS(=O)(=O)CC ZINC000900698025 690549340 /nfs/dbraw/zinc/54/93/40/690549340.db2.gz DKQLBHAWKRIKNT-NSHDSACASA-N -1 1 368.430 2.365 20 0 FEADMM O=C(N[C@H]1CCc2ncc(Br)n2C1)c1c([O-])cccc1F ZINC000900921824 690586135 /nfs/dbraw/zinc/58/61/35/690586135.db2.gz JYRIHKQMLJTCNB-QMMMGPOBSA-N -1 1 354.179 2.235 20 0 FEADMM Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000901498663 690652034 /nfs/dbraw/zinc/65/20/34/690652034.db2.gz IBGGEFIMSTZHTK-GFCCVEGCSA-N -1 1 361.364 2.356 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)N=S(C)(C)=O)cc1C(=O)N1CCCCC1 ZINC000901661292 690674577 /nfs/dbraw/zinc/67/45/77/690674577.db2.gz HGRUIZZOIUHGTN-UHFFFAOYSA-N -1 1 373.500 2.005 20 0 FEADMM CC(C)O[C@]1(CS(=O)(=O)[N-]c2cc(F)cc(N(C)C)c2)CCOC1 ZINC000901731062 690685700 /nfs/dbraw/zinc/68/57/00/690685700.db2.gz CWMGCQCPFHPMOH-MRXNPFEDSA-N -1 1 360.451 2.218 20 0 FEADMM COc1ccc([C@H](NCc2cc(C)nn2C)C(=O)[O-])cc1Br ZINC000901825774 690698210 /nfs/dbraw/zinc/69/82/10/690698210.db2.gz AVBLPAYDJZQQNX-AWEZNQCLSA-N -1 1 368.231 2.415 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)c1F ZINC000901929720 690715757 /nfs/dbraw/zinc/71/57/57/690715757.db2.gz BPVSVGPNZNHWGR-UHFFFAOYSA-N -1 1 371.365 2.474 20 0 FEADMM COc1cc(OC)c(OC)cc1CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000901964610 690722755 /nfs/dbraw/zinc/72/27/55/690722755.db2.gz BLZKTZNMCBQXKU-QWRGUYRKSA-N -1 1 363.332 2.407 20 0 FEADMM COC(=O)C1CC2(C1)CN(Cc1ccc(C)nc1Cl)C[C@@H]2C(=O)[O-] ZINC000903417082 690891728 /nfs/dbraw/zinc/89/17/28/690891728.db2.gz UITLCVBTPNQUDI-UIORMTCPSA-N -1 1 352.818 2.129 20 0 FEADMM CC[C@H](C)[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000903594666 690935514 /nfs/dbraw/zinc/93/55/14/690935514.db2.gz FIEHARPHVUOOMM-WFASDCNBSA-N -1 1 374.890 2.146 20 0 FEADMM CC(C)C[N@@H+](CC1=Nc2ccccc2S(=O)(=O)[N-]1)CC(C)(C)C(=O)[O-] ZINC000903621057 690940888 /nfs/dbraw/zinc/94/08/88/690940888.db2.gz NTSZCYULQDZQFC-UHFFFAOYSA-N -1 1 367.471 2.077 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1n[nH]c(SCc2ccc(C)cc2)n1 ZINC000903673142 690955993 /nfs/dbraw/zinc/95/59/93/690955993.db2.gz DOLUJJCKISMFBF-LLVKDONJSA-N -1 1 356.473 2.182 20 0 FEADMM O=C([O-])C1(CCN2CCN(C(=O)c3ccc(F)cc3F)CC2)CCC1 ZINC000903696592 690963702 /nfs/dbraw/zinc/96/37/02/690963702.db2.gz YCNZCZUBUKSVNB-UHFFFAOYSA-N -1 1 352.381 2.368 20 0 FEADMM COCCN(CCC(=O)[O-])CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000903711809 690965567 /nfs/dbraw/zinc/96/55/67/690965567.db2.gz LLENKJPNPZBSBY-ZDUSSCGKSA-N -1 1 356.850 2.283 20 0 FEADMM CN(C)c1ccc(CNCc2cnn(C)c2C(=O)[O-])c(C(F)(F)F)c1 ZINC000904067900 691000298 /nfs/dbraw/zinc/00/02/98/691000298.db2.gz OVISCFWVFPEFDA-UHFFFAOYSA-N -1 1 356.348 2.493 20 0 FEADMM CSc1ccc(-c2noc([C@@]3(C(=O)[O-])CNCCO3)n2)c(Cl)c1 ZINC000904625565 691037745 /nfs/dbraw/zinc/03/77/45/691037745.db2.gz ZKTLQOXSCNRWQR-CQSZACIVSA-N -1 1 355.803 2.012 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000905196033 691078319 /nfs/dbraw/zinc/07/83/19/691078319.db2.gz HVFOYQJVVIMSNM-DGCLKSJQSA-N -1 1 372.462 2.231 20 0 FEADMM CC(F)(F)CCCS(=O)(=O)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000905252126 691089521 /nfs/dbraw/zinc/08/95/21/691089521.db2.gz IMKDOYPWVAXFMD-UHFFFAOYSA-N -1 1 373.381 2.452 20 0 FEADMM CC(F)(F)CCCS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000905252126 691089531 /nfs/dbraw/zinc/08/95/31/691089531.db2.gz IMKDOYPWVAXFMD-UHFFFAOYSA-N -1 1 373.381 2.452 20 0 FEADMM O=C([O-])[C@H](NCCOC[C@@H]1CCCO1)c1ccccc1Br ZINC000905400610 691114585 /nfs/dbraw/zinc/11/45/85/691114585.db2.gz NZIQNPHYXFJCJK-SMDDNHRTSA-N -1 1 358.232 2.360 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)c(N(C)C)n1 ZINC000906060248 691223860 /nfs/dbraw/zinc/22/38/60/691223860.db2.gz GYSAIXFFNLNRPE-QHCPKHFHSA-N -1 1 368.484 2.270 20 0 FEADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000906863614 691330792 /nfs/dbraw/zinc/33/07/92/691330792.db2.gz QHCYRPFEYFFSDM-OAHLLOKOSA-N -1 1 366.483 2.026 20 0 FEADMM C[C@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000906963284 691355321 /nfs/dbraw/zinc/35/53/21/691355321.db2.gz GFFLKBDWMUCPLO-IONNQARKSA-N -1 1 353.318 2.052 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000907026004 691373543 /nfs/dbraw/zinc/37/35/43/691373543.db2.gz IDVWMAIHWIFZHU-ZIAGYGMSSA-N -1 1 372.874 2.333 20 0 FEADMM O=C([N-]CCCc1ccc(S(=O)(=O)NC2CCC2)cc1)C(F)(F)F ZINC000907236900 691429192 /nfs/dbraw/zinc/42/91/92/691429192.db2.gz AAXJNNCGUPEJSF-UHFFFAOYSA-N -1 1 364.389 2.129 20 0 FEADMM CC1(C)CO[C@@H](CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000907411350 691474004 /nfs/dbraw/zinc/47/40/04/691474004.db2.gz CDOXJMXNRLPDOR-HZMBPMFUSA-N -1 1 367.812 2.403 20 0 FEADMM CCc1oc2ccccc2c1CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473208 691492575 /nfs/dbraw/zinc/49/25/75/691492575.db2.gz RHPFIDAAVIMVDL-ZDUSSCGKSA-N -1 1 357.439 2.368 20 0 FEADMM CCOc1ccc(SCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907474345 691493956 /nfs/dbraw/zinc/49/39/56/691493956.db2.gz GZUKWWMATZMILL-CYBMUJFWSA-N -1 1 365.484 2.007 20 0 FEADMM Cc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c(C)n1CC(F)(F)F ZINC000907477109 691495628 /nfs/dbraw/zinc/49/56/28/691495628.db2.gz QFRAFNCDQRQTCE-NSHDSACASA-N -1 1 374.392 2.111 20 0 FEADMM O=C(c1cc2cc(Cl)sc2[nH]1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479827 691497056 /nfs/dbraw/zinc/49/70/56/691497056.db2.gz IVSUAYUVGQCPGZ-MRVPVSSYSA-N -1 1 354.848 2.326 20 0 FEADMM O=C(C[C@H]1OCc2cc(Cl)ccc21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481009 691497741 /nfs/dbraw/zinc/49/77/41/691497741.db2.gz RYOJWLNOVXSKJO-CHWSQXEVSA-N -1 1 365.846 2.131 20 0 FEADMM O=C(/C=C/Sc1cc(F)ccc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480876 691497767 /nfs/dbraw/zinc/49/77/67/691497767.db2.gz WRFTZJCMEWHCJT-TZNOJPMFSA-N -1 1 369.422 2.400 20 0 FEADMM O=C(CCOc1ccc(Cl)c(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907482626 691498462 /nfs/dbraw/zinc/49/84/62/691498462.db2.gz RLVXCZSUCBSABI-GFCCVEGCSA-N -1 1 371.825 2.078 20 0 FEADMM C[S@](=O)(=NS(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000907660879 691535646 /nfs/dbraw/zinc/53/56/46/691535646.db2.gz XXGPRCGQCCSYQS-FMYDICDESA-N -1 1 360.526 2.404 20 0 FEADMM O=C([N-][C@@H](CO)CC(F)F)C(F)(F)c1ncccc1Br ZINC000907743091 691551428 /nfs/dbraw/zinc/55/14/28/691551428.db2.gz OSRJSILHJZKKRJ-ZCFIWIBFSA-N -1 1 359.117 2.068 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC(F)(F)C(F)F)n[n-]1 ZINC000907828670 691567103 /nfs/dbraw/zinc/56/71/03/691567103.db2.gz HDXLKCYFIPQUQK-QMMMGPOBSA-N -1 1 368.331 2.475 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC(F)(F)C(F)F)[n-]1 ZINC000907828670 691567105 /nfs/dbraw/zinc/56/71/05/691567105.db2.gz HDXLKCYFIPQUQK-QMMMGPOBSA-N -1 1 368.331 2.475 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC(F)(F)C(F)F)n1 ZINC000907828670 691567107 /nfs/dbraw/zinc/56/71/07/691567107.db2.gz HDXLKCYFIPQUQK-QMMMGPOBSA-N -1 1 368.331 2.475 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)[n-]c1=O ZINC000908013109 691598236 /nfs/dbraw/zinc/59/82/36/691598236.db2.gz QUNDLOKWQDNVAM-LBPRGKRZSA-N -1 1 369.830 2.370 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC12CCCC2)c1ncccc1Br ZINC000908192484 691635032 /nfs/dbraw/zinc/63/50/32/691635032.db2.gz QFQSAUMXDKZMQK-LLVKDONJSA-N -1 1 361.261 2.224 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)COCCc1ccc(Br)cc1 ZINC000908370273 691668959 /nfs/dbraw/zinc/66/89/59/691668959.db2.gz IUEUNULKOLDCDZ-UHFFFAOYSA-N -1 1 354.204 2.384 20 0 FEADMM O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1cccc([O-])c1Br ZINC000908707098 691715868 /nfs/dbraw/zinc/71/58/68/691715868.db2.gz HGNXGTFHXTYJDS-VIFPVBQESA-N -1 1 362.245 2.308 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@@]12CCC(=O)N1CCS2 ZINC000908715224 691717440 /nfs/dbraw/zinc/71/74/40/691717440.db2.gz ROXJNCQDZFVBET-ZDUSSCGKSA-N -1 1 357.229 2.159 20 0 FEADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000908748752 691722139 /nfs/dbraw/zinc/72/21/39/691722139.db2.gz ZLWCGQZKHCSFEG-MNOVXSKESA-N -1 1 363.336 2.121 20 0 FEADMM O=C([O-])[C@H](CF)NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000908756381 691724441 /nfs/dbraw/zinc/72/44/41/691724441.db2.gz HZXHWTPEBDKTLR-KBPBESRZSA-N -1 1 357.813 2.199 20 0 FEADMM CN(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(C)(C)C(=O)[O-] ZINC000908775009 691728298 /nfs/dbraw/zinc/72/82/98/691728298.db2.gz AOKMDPJDLSGWMK-UHFFFAOYSA-N -1 1 351.422 2.295 20 0 FEADMM COC1(C[C@@H](NC(=O)NC[C@H](c2ccsc2)N(C)C)C(=O)[O-])CCC1 ZINC000908814479 691734509 /nfs/dbraw/zinc/73/45/09/691734509.db2.gz RLDXLZBWRQTNKH-ZIAGYGMSSA-N -1 1 369.487 2.062 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2(c3cccc(Cl)c3)CC2)C1 ZINC000908828612 691736678 /nfs/dbraw/zinc/73/66/78/691736678.db2.gz XFJJHHNWZVZCKH-CYBMUJFWSA-N -1 1 350.846 2.284 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCSC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000909122675 691781399 /nfs/dbraw/zinc/78/13/99/691781399.db2.gz MSWVAQCPWDRWDH-ZIAGYGMSSA-N -1 1 371.890 2.154 20 0 FEADMM C[C@]1(NC(=O)C2CCC(N3CCOCC3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000909529844 691831590 /nfs/dbraw/zinc/83/15/90/691831590.db2.gz FQMDMSWRDZTJIQ-GETDIDHLSA-N -1 1 352.475 2.027 20 0 FEADMM CN1CCCC[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000909630426 691841478 /nfs/dbraw/zinc/84/14/78/691841478.db2.gz PPKYAVIIKQQDEX-XHSDSOJGSA-N -1 1 350.846 2.451 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000909724388 691849050 /nfs/dbraw/zinc/84/90/50/691849050.db2.gz CTZSKUAQAFOSSY-ZIAGYGMSSA-N -1 1 358.360 2.245 20 0 FEADMM CN(CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)[C@@H]1CCSC1 ZINC000909951330 691875875 /nfs/dbraw/zinc/87/58/75/691875875.db2.gz PLTSCUFHUNKLNG-JKSUJKDBSA-N -1 1 362.495 2.358 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccccc2CC(F)(F)F)C1 ZINC000910254614 691906858 /nfs/dbraw/zinc/90/68/58/691906858.db2.gz JNGUWHYSWYEGTL-CQSZACIVSA-N -1 1 358.360 2.204 20 0 FEADMM O=C([O-])C1(NC(=O)NCC2(N3CCOCC3)CCCCC2)CCCCC1 ZINC000780345294 939107182 /nfs/dbraw/zinc/10/71/82/939107182.db2.gz ZVRAMSYBKXZGAD-UHFFFAOYSA-N -1 1 367.490 2.108 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2)CC1 ZINC000663115851 939856670 /nfs/dbraw/zinc/85/66/70/939856670.db2.gz WCSXAYVCPAHKBQ-SFHVURJKSA-N -1 1 359.470 2.264 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C ZINC000028249622 539829281 /nfs/dbraw/zinc/82/92/81/539829281.db2.gz JVRZPKFMNLFRER-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000028258533 539829304 /nfs/dbraw/zinc/82/93/04/539829304.db2.gz AEJZDTYFYJCMIP-UHFFFAOYSA-N -1 1 368.798 2.011 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000030565956 539885995 /nfs/dbraw/zinc/88/59/95/539885995.db2.gz SOBSHXDPBQVRFY-DTWKUNHWSA-N -1 1 354.350 2.039 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1 ZINC000031777057 539918472 /nfs/dbraw/zinc/91/84/72/539918472.db2.gz RTZAVVMWQFDBNK-UHFFFAOYSA-N -1 1 356.407 2.486 20 0 FEADMM CCCn1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000031768784 539918708 /nfs/dbraw/zinc/91/87/08/539918708.db2.gz CFIGBLJGNUOYTJ-UHFFFAOYSA-N -1 1 354.432 2.215 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1Cl ZINC000032591147 539944493 /nfs/dbraw/zinc/94/44/93/539944493.db2.gz MQJVMGRSVURVDS-UHFFFAOYSA-N -1 1 365.802 2.125 20 0 FEADMM Cc1ccc(S(=O)(=O)NN=c2c(F)c(F)[n-]c(F)c2F)c(Cl)n1 ZINC000800830946 674079986 /nfs/dbraw/zinc/07/99/86/674079986.db2.gz NEYDZOXWOGLMIE-UHFFFAOYSA-N -1 1 370.715 2.300 20 0 FEADMM COc1ccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1F ZINC000033069636 539965962 /nfs/dbraw/zinc/96/59/62/539965962.db2.gz QHVQWFMMBZKHBM-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM COc1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1[N-]S(C)(=O)=O ZINC000033069745 539966108 /nfs/dbraw/zinc/96/61/08/539966108.db2.gz BVIGBFRPIPSISC-MRXNPFEDSA-N -1 1 362.407 2.009 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1N1CCCS1(=O)=O ZINC000036090388 539987122 /nfs/dbraw/zinc/98/71/22/539987122.db2.gz GTJZUFWKLPBTMA-UHFFFAOYSA-N -1 1 366.464 2.336 20 0 FEADMM O=C(NC[C@@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000041372733 540018359 /nfs/dbraw/zinc/01/83/59/540018359.db2.gz KDMSXYCFYHCLAD-AWEZNQCLSA-N -1 1 360.435 2.254 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000042005156 540045242 /nfs/dbraw/zinc/04/52/42/540045242.db2.gz AQEMSPFCJRRCAS-UHFFFAOYSA-N -1 1 353.371 2.351 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)o1 ZINC000046673721 540266163 /nfs/dbraw/zinc/26/61/63/540266163.db2.gz XDNUBTZNGFCKIT-UHFFFAOYSA-N -1 1 367.408 2.058 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1ccc(F)c(F)c1F ZINC000047211537 540297096 /nfs/dbraw/zinc/29/70/96/540297096.db2.gz VBNFBCQFMOOHKI-UHFFFAOYSA-N -1 1 373.291 2.020 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000047383494 540306361 /nfs/dbraw/zinc/30/63/61/540306361.db2.gz NZQGBCKNNWEPBP-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM COC(=O)c1sccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000047949146 540336387 /nfs/dbraw/zinc/33/63/87/540336387.db2.gz RWQKJERIGZIPLY-UHFFFAOYSA-N -1 1 371.392 2.042 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(C)c1 ZINC000050532753 540407634 /nfs/dbraw/zinc/40/76/34/540407634.db2.gz KXBBQAWVXFOTCE-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)n[nH]1 ZINC000050535093 540408297 /nfs/dbraw/zinc/40/82/97/540408297.db2.gz OFEFXNYOWUYLQG-UHFFFAOYSA-N -1 1 371.378 2.015 20 0 FEADMM C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000051286288 540429616 /nfs/dbraw/zinc/42/96/16/540429616.db2.gz IPYAHPRGLGGUHO-ZDUSSCGKSA-N -1 1 370.405 2.225 20 0 FEADMM COC(=O)COc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055228991 540638270 /nfs/dbraw/zinc/63/82/70/540638270.db2.gz ARNYLZSDCGSJKP-UHFFFAOYSA-N -1 1 358.350 2.155 20 0 FEADMM CCNC(=O)COc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055248099 540640760 /nfs/dbraw/zinc/64/07/60/540640760.db2.gz BIHNRYNXLIATJY-UHFFFAOYSA-N -1 1 371.393 2.118 20 0 FEADMM O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315543 540645680 /nfs/dbraw/zinc/64/56/80/540645680.db2.gz PLIOVIXUTGEYCZ-UHFFFAOYSA-N -1 1 366.417 2.244 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)o1 ZINC000055459922 540654716 /nfs/dbraw/zinc/65/47/16/540654716.db2.gz AEYYGKJUZHFVJV-LLVKDONJSA-N -1 1 370.814 2.095 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000055563685 540659243 /nfs/dbraw/zinc/65/92/43/540659243.db2.gz DXGDXZGVUPSHND-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1C(N)=O ZINC000055598259 540662172 /nfs/dbraw/zinc/66/21/72/540662172.db2.gz BXIMYIBRDXXWDC-UHFFFAOYSA-N -1 1 356.350 2.496 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1 ZINC000055638214 540666927 /nfs/dbraw/zinc/66/69/27/540666927.db2.gz NXMGNGMPYSTNDV-UHFFFAOYSA-N -1 1 360.313 2.327 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Cl ZINC000055677286 540670074 /nfs/dbraw/zinc/67/00/74/540670074.db2.gz MVFWWLWJXUNQCQ-UHFFFAOYSA-N -1 1 366.826 2.435 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCOc2ccccc2C)c(=O)[n-]1 ZINC000055955111 540689898 /nfs/dbraw/zinc/68/98/98/540689898.db2.gz FMQNEEDJKIOBMG-UHFFFAOYSA-N -1 1 361.467 2.236 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCC2(c3ccccc3C)CCOCC2)n1 ZINC000056948348 540756623 /nfs/dbraw/zinc/75/66/23/540756623.db2.gz PMFPMAMJMJHQRF-UHFFFAOYSA-N -1 1 371.441 2.168 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000109997551 209317495 /nfs/dbraw/zinc/31/74/95/209317495.db2.gz MFIWPIOKPIOJNL-ZETCQYMHSA-N -1 1 351.306 2.316 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2)cc1 ZINC000064474895 541207124 /nfs/dbraw/zinc/20/71/24/541207124.db2.gz CJYMYUTXQBCPJQ-UHFFFAOYSA-N -1 1 361.423 2.196 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)cc1 ZINC000064475927 541207191 /nfs/dbraw/zinc/20/71/91/541207191.db2.gz CMCFJVZMRNRPGQ-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM CCn1c(CNC(=O)CCCOc2ccc(OC)cc2)n[n-]c1=S ZINC000066637200 541351844 /nfs/dbraw/zinc/35/18/44/541351844.db2.gz AJQHHSKBXGFHGG-UHFFFAOYSA-N -1 1 350.444 2.445 20 0 FEADMM Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639056 541352242 /nfs/dbraw/zinc/35/22/42/541352242.db2.gz CQYCCPQQJOMNCP-UHFFFAOYSA-N -1 1 359.459 2.420 20 0 FEADMM COc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc2c1OCCO2 ZINC000066640652 541352864 /nfs/dbraw/zinc/35/28/64/541352864.db2.gz OKJIQYUYFBUYGY-UHFFFAOYSA-N -1 1 364.427 2.231 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066650011 541355026 /nfs/dbraw/zinc/35/50/26/541355026.db2.gz YPAJPYJWQABVFN-ZDUSSCGKSA-N -1 1 365.459 2.185 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CSC)c1 ZINC000066928638 541396082 /nfs/dbraw/zinc/39/60/82/541396082.db2.gz IXDLVDLPSUHTPQ-NSHDSACASA-N -1 1 360.501 2.360 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000067027391 541408168 /nfs/dbraw/zinc/40/81/68/541408168.db2.gz HYGUOYLWOBGOMB-LBPRGKRZSA-N -1 1 350.422 2.407 20 0 FEADMM CN(C)c1nc2sc(C(=O)NCCc3n[n-]c(=S)n3C)cc2s1 ZINC000067069975 541413328 /nfs/dbraw/zinc/41/33/28/541413328.db2.gz SKYAHZAOJBNREY-UHFFFAOYSA-N -1 1 368.513 2.187 20 0 FEADMM CCn1c(CCNC(=O)CCCOc2ccc(OC)cc2)n[n-]c1=S ZINC000067075611 541414521 /nfs/dbraw/zinc/41/45/21/541414521.db2.gz ZKQUXYZLFHZZJA-UHFFFAOYSA-N -1 1 364.471 2.487 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000067079990 541414982 /nfs/dbraw/zinc/41/49/82/541414982.db2.gz SVXFAUKYCAEJHJ-UHFFFAOYSA-N -1 1 373.482 2.085 20 0 FEADMM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000069163550 541664984 /nfs/dbraw/zinc/66/49/84/541664984.db2.gz OKLCZZUOGOJBFA-CHWSQXEVSA-N -1 1 363.435 2.440 20 0 FEADMM CCOCCOc1ccccc1C(=O)N=c1[n-]n(C)cc1C(=O)OCC ZINC000544060091 541708013 /nfs/dbraw/zinc/70/80/13/541708013.db2.gz UUSQNQHYDKLAFS-UHFFFAOYSA-N -1 1 361.398 2.264 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cccnc1OC ZINC000801246286 674113642 /nfs/dbraw/zinc/11/36/42/674113642.db2.gz QATKPPKUSCDZCX-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)CCC(C)C)c1noc(C)n1 ZINC000072994291 541906489 /nfs/dbraw/zinc/90/64/89/541906489.db2.gz MECZZYFABIQGCK-OAHLLOKOSA-N -1 1 353.444 2.442 20 0 FEADMM NC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000551212766 674131236 /nfs/dbraw/zinc/13/12/36/674131236.db2.gz SGDGJXKWULBIIJ-ZDUSSCGKSA-N -1 1 360.769 2.123 20 0 FEADMM Cc1cccc(O[C@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000074161768 542045733 /nfs/dbraw/zinc/04/57/33/542045733.db2.gz LQKMCZPBKOPMSD-CQSZACIVSA-N -1 1 354.410 2.032 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCOCC1 ZINC000074418279 542081865 /nfs/dbraw/zinc/08/18/65/542081865.db2.gz ACVFDEWMMHSUSG-CQSZACIVSA-N -1 1 353.488 2.054 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC(=O)N(C(C)C)C(C)(C)C3)cnc2n1 ZINC000075195346 542158676 /nfs/dbraw/zinc/15/86/76/542158676.db2.gz BAFCHQQDYWJBIT-UHFFFAOYSA-N -1 1 356.426 2.115 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)c2=O ZINC000075195346 542158685 /nfs/dbraw/zinc/15/86/85/542158685.db2.gz BAFCHQQDYWJBIT-UHFFFAOYSA-N -1 1 356.426 2.115 20 0 FEADMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Br ZINC000007758215 207206364 /nfs/dbraw/zinc/20/63/64/207206364.db2.gz UDQVOBCCUCWSKI-UHFFFAOYSA-N -1 1 366.215 2.349 20 0 FEADMM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nn[n-]n1 ZINC000076963523 542335686 /nfs/dbraw/zinc/33/56/86/542335686.db2.gz ZITVLCDTEQUCGH-UHFFFAOYSA-N -1 1 350.791 2.449 20 0 FEADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000078234688 542449333 /nfs/dbraw/zinc/44/93/33/542449333.db2.gz PWBRGJYHPSFVEK-UHFFFAOYSA-N -1 1 368.480 2.432 20 0 FEADMM O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)NN1CC(=O)[N-]C1=O ZINC000801910359 674154355 /nfs/dbraw/zinc/15/43/55/674154355.db2.gz PKQAVUNXDSSUFK-UHFFFAOYSA-N -1 1 351.775 2.052 20 0 FEADMM C[C@H](CC(=O)c1ccccc1F)C(=O)NCCc1n[n-]c(=S)n1C ZINC000080038669 542559267 /nfs/dbraw/zinc/55/92/67/542559267.db2.gz YICHRWGHTPTEAK-SNVBAGLBSA-N -1 1 350.419 2.185 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)c1ccncc1 ZINC000080403070 542587099 /nfs/dbraw/zinc/58/70/99/542587099.db2.gz PMWQHRSFDULZKC-UHFFFAOYSA-N -1 1 359.813 2.475 20 0 FEADMM CC(C)c1nsc([N-]c2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)n1 ZINC000092657364 542878265 /nfs/dbraw/zinc/87/82/65/542878265.db2.gz SNXXJKDWKKGNBW-TXEJJXNPSA-N -1 1 364.475 2.237 20 0 FEADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)CC1CCC1)c1noc(C)n1 ZINC000092993496 542900412 /nfs/dbraw/zinc/90/04/12/542900412.db2.gz KTPNKZZAVMDATP-OAHLLOKOSA-N -1 1 351.428 2.196 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCCO)c2)c1 ZINC000096968208 543001215 /nfs/dbraw/zinc/00/12/15/543001215.db2.gz QWZYDUSOYJIGSP-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000097129794 543005661 /nfs/dbraw/zinc/00/56/61/543005661.db2.gz IPRXCZLQFNCYNQ-JTQLQIEISA-N -1 1 368.842 2.445 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCO)c1 ZINC000097176304 543007120 /nfs/dbraw/zinc/00/71/20/543007120.db2.gz MQIACCLRMXAMHU-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932400 543086043 /nfs/dbraw/zinc/08/60/43/543086043.db2.gz RKQVMPSNCUNHSW-UHFFFAOYSA-N -1 1 372.443 2.018 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)cc1 ZINC000103943188 543119006 /nfs/dbraw/zinc/11/90/06/543119006.db2.gz SAKBLPLECJLVGH-ZDUSSCGKSA-N -1 1 362.451 2.160 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(OC(F)F)c1 ZINC000104145490 543124879 /nfs/dbraw/zinc/12/48/79/543124879.db2.gz JFLVNGSVBFFMEG-UHFFFAOYSA-N -1 1 362.336 2.422 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccccc1OC(C)C ZINC000104858933 543147275 /nfs/dbraw/zinc/14/72/75/543147275.db2.gz QOGCCSDQUBHULW-UHFFFAOYSA-N -1 1 368.437 2.286 20 0 FEADMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000105390841 543172993 /nfs/dbraw/zinc/17/29/93/543172993.db2.gz DCHALIWPDRQPRI-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000106007091 543184235 /nfs/dbraw/zinc/18/42/35/543184235.db2.gz VVTUJBFLYKHHNP-LLVKDONJSA-N -1 1 371.422 2.095 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3Cn3cncn3)ccc2O1 ZINC000106007356 543184602 /nfs/dbraw/zinc/18/46/02/543184602.db2.gz DQIJLHJOMNAHHO-ZDUSSCGKSA-N -1 1 370.434 2.451 20 0 FEADMM Cn1c(Cl)cnc1CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592698 543295825 /nfs/dbraw/zinc/29/58/25/543295825.db2.gz HVRNQPUOCQURLU-UHFFFAOYSA-N -1 1 357.867 2.288 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000111104935 543381561 /nfs/dbraw/zinc/38/15/61/543381561.db2.gz TWWBGBPAQUUKGT-LBPRGKRZSA-N -1 1 368.842 2.471 20 0 FEADMM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cncc([O-])c1 ZINC000111596511 543408100 /nfs/dbraw/zinc/40/81/00/543408100.db2.gz PJQGFTAJJBOJJJ-KRWDZBQOSA-N -1 1 361.829 2.244 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(C)(C)COc2ccccc2)o1 ZINC000802295491 674176136 /nfs/dbraw/zinc/17/61/36/674176136.db2.gz LZGUODAODULOIJ-UHFFFAOYSA-N -1 1 367.423 2.450 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)Sc1ccccc1 ZINC000114412499 543513894 /nfs/dbraw/zinc/51/38/94/543513894.db2.gz AGJGVKCTQXGWBY-CYBMUJFWSA-N -1 1 356.451 2.436 20 0 FEADMM O=C(c1ccc(F)cc1F)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000114800500 543536974 /nfs/dbraw/zinc/53/69/74/543536974.db2.gz HGNNCJKFOILLGJ-UHFFFAOYSA-N -1 1 361.348 2.054 20 0 FEADMM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1ccc(Br)cc1[O-] ZINC000552007255 674181181 /nfs/dbraw/zinc/18/11/81/674181181.db2.gz RPJMHDVMUSPBCU-MFKMUULPSA-N -1 1 360.248 2.043 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CC[C@@H]2CCCO2)[n-]1 ZINC000552008077 674181391 /nfs/dbraw/zinc/18/13/91/674181391.db2.gz FPNYBWOZHPVJRD-QWHCGFSZSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CC[C@@H]2CCCO2)n[n-]1 ZINC000552008077 674181385 /nfs/dbraw/zinc/18/13/85/674181385.db2.gz FPNYBWOZHPVJRD-QWHCGFSZSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CC[C@@H]2CCCO2)n1 ZINC000552008077 674181394 /nfs/dbraw/zinc/18/13/94/674181394.db2.gz FPNYBWOZHPVJRD-QWHCGFSZSA-N -1 1 352.435 2.144 20 0 FEADMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000119603592 543670002 /nfs/dbraw/zinc/67/00/02/543670002.db2.gz WBTGGGCSHYYPQD-UHFFFAOYSA-N -1 1 374.340 2.485 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(OC)c(Br)s1)c1nn[n-]n1 ZINC000122728264 543720256 /nfs/dbraw/zinc/72/02/56/543720256.db2.gz KEPDGVOWVRBUCY-ZCFIWIBFSA-N -1 1 360.237 2.304 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(COC(C)C)cc2)co1 ZINC000122736437 543720948 /nfs/dbraw/zinc/72/09/48/543720948.db2.gz ONJGARBEQCPMRS-UHFFFAOYSA-N -1 1 352.412 2.365 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)o1 ZINC000123219332 543749362 /nfs/dbraw/zinc/74/93/62/543749362.db2.gz MVPJFQBBJXTTOG-UHFFFAOYSA-N -1 1 371.361 2.355 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000124348794 543815786 /nfs/dbraw/zinc/81/57/86/543815786.db2.gz CZMLUDFHWBVDQD-UHFFFAOYSA-N -1 1 374.871 2.124 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nn[n-]n1 ZINC000124490493 543825303 /nfs/dbraw/zinc/82/53/03/543825303.db2.gz PDCYSKMAIOHTFI-SNVBAGLBSA-N -1 1 353.386 2.003 20 0 FEADMM C[C@H](CN(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1nn[n-]n1 ZINC000124518605 543826995 /nfs/dbraw/zinc/82/69/95/543826995.db2.gz VZYBUCRLXSNNEM-LLVKDONJSA-N -1 1 358.377 2.189 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1ccc(Cl)cc1F ZINC000127218701 543979035 /nfs/dbraw/zinc/97/90/35/543979035.db2.gz DTLZCXXWOBRKAW-UHFFFAOYSA-N -1 1 372.809 2.277 20 0 FEADMM Cc1cnccc1CCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000126846741 543959740 /nfs/dbraw/zinc/95/97/40/543959740.db2.gz PIBHRIXVDAOOSU-UHFFFAOYSA-N -1 1 353.426 2.047 20 0 FEADMM CCC[C@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)c1nn[n-]n1 ZINC000127590993 544002352 /nfs/dbraw/zinc/00/23/52/544002352.db2.gz OSPSHSYWAXSEEW-LBPRGKRZSA-N -1 1 357.336 2.341 20 0 FEADMM Cn1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(-c2ccccc2Cl)n1 ZINC000129461091 544113500 /nfs/dbraw/zinc/11/35/00/544113500.db2.gz XBXASDWRCXONDX-LLVKDONJSA-N -1 1 371.832 2.273 20 0 FEADMM CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129455887 544113531 /nfs/dbraw/zinc/11/35/31/544113531.db2.gz LHRXXAHUMCTVIY-JTQLQIEISA-N -1 1 367.251 2.364 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2csc(C(C)(C)C)n2)o1 ZINC000130194502 544142099 /nfs/dbraw/zinc/14/20/99/544142099.db2.gz YEMYXINJSPPABT-UHFFFAOYSA-N -1 1 372.468 2.341 20 0 FEADMM CC(C)C[C@H](NC(=O)c1c([O-])cccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000131268025 544182978 /nfs/dbraw/zinc/18/29/78/544182978.db2.gz BKIRLPWLBJIXLG-JTQLQIEISA-N -1 1 360.349 2.217 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)co1 ZINC000132199577 544223018 /nfs/dbraw/zinc/22/30/18/544223018.db2.gz RHJXMNPKQJJZJD-SECBINFHSA-N -1 1 357.457 2.094 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1C ZINC000132953832 544249601 /nfs/dbraw/zinc/24/96/01/544249601.db2.gz INYWWKJVSRISCP-UHFFFAOYSA-N -1 1 351.449 2.434 20 0 FEADMM CC(C)OCCN1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000133559252 544274855 /nfs/dbraw/zinc/27/48/55/544274855.db2.gz INHTZFBITDCXFW-UHFFFAOYSA-N -1 1 371.275 2.338 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCc3nc(C)sc32)co1 ZINC000133574239 544275536 /nfs/dbraw/zinc/27/55/36/544275536.db2.gz XUTNTMZXYZLMJV-LBPRGKRZSA-N -1 1 369.468 2.102 20 0 FEADMM O=C(NCCNC(=O)c1ccc(Br)c([O-])c1)c1cccs1 ZINC000136481569 544373494 /nfs/dbraw/zinc/37/34/94/544373494.db2.gz KYVSXZSLOCADQK-UHFFFAOYSA-N -1 1 369.240 2.376 20 0 FEADMM CCC[C@H](NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1nn[n-]n1 ZINC000136668414 544376544 /nfs/dbraw/zinc/37/65/44/544376544.db2.gz DRGLMLPITXDCTE-INIZCTEOSA-N -1 1 371.420 2.341 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)c1nn[n-]n1 ZINC000136676728 544376829 /nfs/dbraw/zinc/37/68/29/544376829.db2.gz IKVMAXLGDCKCRM-JOYOIKCWSA-N -1 1 368.235 2.387 20 0 FEADMM CCC[C@@H](NC(=O)CCOc1cccc(Br)c1)c1nn[n-]n1 ZINC000136695123 544377287 /nfs/dbraw/zinc/37/72/87/544377287.db2.gz KTKSSAJZCLTNSB-GFCCVEGCSA-N -1 1 368.235 2.389 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cn1 ZINC000142165537 544416158 /nfs/dbraw/zinc/41/61/58/544416158.db2.gz DORHNRDIYVFNQE-UHFFFAOYSA-N -1 1 361.423 2.132 20 0 FEADMM CCN(CC)Cc1nc(C2(NC(=O)c3ncccc3[O-])CCCC2)no1 ZINC000153662613 544805603 /nfs/dbraw/zinc/80/56/03/544805603.db2.gz OUDMNNBHQMBLOH-UHFFFAOYSA-N -1 1 359.430 2.211 20 0 FEADMM Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000153553053 544789914 /nfs/dbraw/zinc/78/99/14/544789914.db2.gz DUEKWKVHDYVUCD-UHFFFAOYSA-N -1 1 365.459 2.227 20 0 FEADMM Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000153553053 544789919 /nfs/dbraw/zinc/78/99/19/544789919.db2.gz DUEKWKVHDYVUCD-UHFFFAOYSA-N -1 1 365.459 2.227 20 0 FEADMM CCC[C@@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000154432774 544906562 /nfs/dbraw/zinc/90/65/62/544906562.db2.gz SUUXABSMKGCMBT-MRXNPFEDSA-N -1 1 362.451 2.378 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](c1ccccc1)C1CC1 ZINC000154985853 544974669 /nfs/dbraw/zinc/97/46/69/544974669.db2.gz CSDIVHGXLANHSI-LJQANCHMSA-N -1 1 350.422 2.449 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ncco3)cc2C)co1 ZINC000552537235 674214110 /nfs/dbraw/zinc/21/41/10/674214110.db2.gz QCLOBXQBAUBLMM-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@@H](C)[C@H]1OC ZINC000552649368 674218436 /nfs/dbraw/zinc/21/84/36/674218436.db2.gz WDPQBYQHIRFZRF-LERXQTSPSA-N -1 1 359.444 2.184 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)CCOCc2ccccc2)c1 ZINC000553575123 674272417 /nfs/dbraw/zinc/27/24/17/674272417.db2.gz GNYOLNJMUWTIFK-ZDUSSCGKSA-N -1 1 367.423 2.340 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)COc2c(C)cccc2C)co1 ZINC000179354154 327638645 /nfs/dbraw/zinc/63/86/45/327638645.db2.gz AMVORDREPMZKSX-ZDUSSCGKSA-N -1 1 366.439 2.002 20 0 FEADMM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)nc1Cl ZINC000179496344 327646351 /nfs/dbraw/zinc/64/63/51/327646351.db2.gz DQKNLFATKXANNP-GXFFZTMASA-N -1 1 359.234 2.325 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1F ZINC000180477253 327687284 /nfs/dbraw/zinc/68/72/84/327687284.db2.gz FWRXZAYNUXBRML-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc([O-])cc1F ZINC000181130079 327717292 /nfs/dbraw/zinc/71/72/92/327717292.db2.gz OYVGHUAUHFEHPX-UHFFFAOYSA-N -1 1 351.399 2.266 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000182032197 327757986 /nfs/dbraw/zinc/75/79/86/327757986.db2.gz JGSDKQQZNXKTMZ-LLVKDONJSA-N -1 1 363.357 2.203 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)sc1C ZINC000553856318 674289597 /nfs/dbraw/zinc/28/95/97/674289597.db2.gz IQQGLKKUEPRYKX-UHFFFAOYSA-N -1 1 356.454 2.350 20 0 FEADMM Cn1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccc21 ZINC000186187857 327950782 /nfs/dbraw/zinc/95/07/82/327950782.db2.gz LXMKIPSSMHXIDF-UHFFFAOYSA-N -1 1 351.378 2.373 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1F ZINC000187071998 328000520 /nfs/dbraw/zinc/00/05/20/328000520.db2.gz DZUBMHMNCQOTFU-UHFFFAOYSA-N -1 1 364.398 2.229 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1 ZINC000187168244 328006548 /nfs/dbraw/zinc/00/65/48/328006548.db2.gz SKCBLTQSLVMREY-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187676076 328039059 /nfs/dbraw/zinc/03/90/59/328039059.db2.gz DZBVMMREJOONCN-KRWDZBQOSA-N -1 1 372.469 2.402 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000187764072 328044652 /nfs/dbraw/zinc/04/46/52/328044652.db2.gz SIKYJHZKDWRZAD-HUUCEWRRSA-N -1 1 362.451 2.329 20 0 FEADMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188108315 328066422 /nfs/dbraw/zinc/06/64/22/328066422.db2.gz OGCWEULFUGSSJN-QMMMGPOBSA-N -1 1 369.245 2.422 20 0 FEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@@H]1O ZINC000188125451 328067907 /nfs/dbraw/zinc/06/79/07/328067907.db2.gz USOORYNXEWUFFV-MNOVXSKESA-N -1 1 370.215 2.165 20 0 FEADMM COCCc1ccccc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000188183738 328071779 /nfs/dbraw/zinc/07/17/79/328071779.db2.gz GCEQOPLLGIPQNA-UHFFFAOYSA-N -1 1 354.410 2.010 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)c1nn[n-]n1 ZINC000188321610 328080516 /nfs/dbraw/zinc/08/05/16/328080516.db2.gz KCGSIEVLAJDDQN-GFCCVEGCSA-N -1 1 352.236 2.471 20 0 FEADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1CO ZINC000189502411 328151771 /nfs/dbraw/zinc/15/17/71/328151771.db2.gz PLZJGVLYQJPZRR-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]1CO ZINC000189502395 328151930 /nfs/dbraw/zinc/15/19/30/328151930.db2.gz PLZJGVLYQJPZRR-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM O=C(Nc1cnccc1CO)c1cc(I)ccc1[O-] ZINC000189875627 328172993 /nfs/dbraw/zinc/17/29/93/328172993.db2.gz RENORBCGWIFNQJ-UHFFFAOYSA-N -1 1 370.146 2.136 20 0 FEADMM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(I)ccc1[O-] ZINC000189911148 328175391 /nfs/dbraw/zinc/17/53/91/328175391.db2.gz SRPRWGQFHYILSY-XWIASGKRSA-N -1 1 373.190 2.294 20 0 FEADMM C[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190765300 328231315 /nfs/dbraw/zinc/23/13/15/328231315.db2.gz SZLLAYPRDYLLEE-ZCFIWIBFSA-N -1 1 360.632 2.148 20 0 FEADMM C[C@H](CN(C)C(=O)C1(c2ccccc2Br)CC1)c1nn[n-]n1 ZINC000191022056 328245951 /nfs/dbraw/zinc/24/59/51/328245951.db2.gz STOQMPUKCKJLRQ-SNVBAGLBSA-N -1 1 364.247 2.256 20 0 FEADMM O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191209146 328254237 /nfs/dbraw/zinc/25/42/37/328254237.db2.gz MMPCPYSQAJBMDL-PBHICJAKSA-N -1 1 374.462 2.378 20 0 FEADMM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000191804215 328283084 /nfs/dbraw/zinc/28/30/84/328283084.db2.gz MYTZZNNRNJHDKE-ZBFHGGJFSA-N -1 1 354.406 2.277 20 0 FEADMM Cc1nnc(NC(=O)c2cc(I)ccc2[O-])s1 ZINC000192691787 328333488 /nfs/dbraw/zinc/33/34/88/328333488.db2.gz MNLWDIRFSFJKHE-UHFFFAOYSA-N -1 1 361.164 2.409 20 0 FEADMM C[C@H]1CCCN(C(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000193037739 328353383 /nfs/dbraw/zinc/35/33/83/328353383.db2.gz JEWZQHPTSJERFA-LBPRGKRZSA-N -1 1 351.472 2.415 20 0 FEADMM C[C@H]1CCCN(C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000193037739 328353384 /nfs/dbraw/zinc/35/33/84/328353384.db2.gz JEWZQHPTSJERFA-LBPRGKRZSA-N -1 1 351.472 2.415 20 0 FEADMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(C)c2Br)C1=O ZINC000193146032 328359495 /nfs/dbraw/zinc/35/94/95/328359495.db2.gz GLMNIGOZMVJVNB-AWEZNQCLSA-N -1 1 354.204 2.123 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2nccn2CC(F)(F)F)[n-]c1=O ZINC000193265913 328365938 /nfs/dbraw/zinc/36/59/38/328365938.db2.gz SBNTYMQFFUYZAD-RMKNXTFCSA-N -1 1 356.304 2.266 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000193316850 328368430 /nfs/dbraw/zinc/36/84/30/328368430.db2.gz GLINYNVZYZNNPW-UONOGXRCSA-N -1 1 354.472 2.478 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000193554058 328381389 /nfs/dbraw/zinc/38/13/89/328381389.db2.gz GPXRTAFQCWKPBF-MRVPVSSYSA-N -1 1 351.350 2.089 20 0 FEADMM COCCO[C@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000193558131 328381997 /nfs/dbraw/zinc/38/19/97/328381997.db2.gz DDRCXIIBFQBZMU-INIZCTEOSA-N -1 1 358.442 2.081 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H](O)C1 ZINC000021411256 324395439 /nfs/dbraw/zinc/39/54/39/324395439.db2.gz KZSVHRRGLWIQDG-MRXNPFEDSA-N -1 1 360.435 2.084 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccco1 ZINC000031071472 324465185 /nfs/dbraw/zinc/46/51/85/324465185.db2.gz UVZXQLULRHKUED-UHFFFAOYSA-N -1 1 363.222 2.181 20 0 FEADMM O=C(NCc1cscn1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000050683940 324697334 /nfs/dbraw/zinc/69/73/34/324697334.db2.gz KKQFHTGIYPKWGL-UHFFFAOYSA-N -1 1 374.447 2.269 20 0 FEADMM COc1ccccc1CCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000064317025 324871868 /nfs/dbraw/zinc/87/18/68/324871868.db2.gz UQDVZHKKUXSMTI-UHFFFAOYSA-N -1 1 368.437 2.352 20 0 FEADMM CC(C)N(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CCOCC1 ZINC000078182908 325035303 /nfs/dbraw/zinc/03/53/03/325035303.db2.gz PEEWSBZGXUHPLP-UHFFFAOYSA-N -1 1 372.487 2.386 20 0 FEADMM CCn1c(CCNC(=O)c2cn(C)nc2-c2ccccc2)n[n-]c1=S ZINC000091444247 325386613 /nfs/dbraw/zinc/38/66/13/325386613.db2.gz HPYQIMHUASLVNH-UHFFFAOYSA-N -1 1 356.455 2.334 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)O)ccc2C)c1 ZINC000097075290 325457924 /nfs/dbraw/zinc/45/79/24/325457924.db2.gz WKAVQRSGTQWCPI-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)Nc1cccnc1 ZINC000101580949 325473904 /nfs/dbraw/zinc/47/39/04/325473904.db2.gz JVUWCRCXEPMWJS-UHFFFAOYSA-N -1 1 366.251 2.367 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1N1CCCC1 ZINC000103939808 325529090 /nfs/dbraw/zinc/52/90/90/325529090.db2.gz BHWSHGCIAUSJBI-UHFFFAOYSA-N -1 1 365.437 2.421 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2ccccc2[C@@H]1C ZINC000109048699 325656862 /nfs/dbraw/zinc/65/68/62/325656862.db2.gz UWUVGPIPVNFCFH-ZDUSSCGKSA-N -1 1 350.422 2.328 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c(C)c1 ZINC000116601522 326026954 /nfs/dbraw/zinc/02/69/54/326026954.db2.gz LBINDLFVFJPJDH-UHFFFAOYSA-N -1 1 360.483 2.251 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(-n4ccnc4)c3)cc12 ZINC000116602079 326027056 /nfs/dbraw/zinc/02/70/56/326027056.db2.gz GEAJFQGXGCFPJC-UHFFFAOYSA-N -1 1 368.422 2.263 20 0 FEADMM CCCCOC(=O)C[N-]S(=O)(=O)c1sccc1Br ZINC000117928091 326074683 /nfs/dbraw/zinc/07/46/83/326074683.db2.gz ZXTSKICSAHDWJV-UHFFFAOYSA-N -1 1 356.263 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)co1 ZINC000119833691 326203457 /nfs/dbraw/zinc/20/34/57/326203457.db2.gz WSJJRLGNDRMJMD-LBPRGKRZSA-N -1 1 366.439 2.466 20 0 FEADMM O=S(=O)([N-]c1ccc(CN2CCOCC2)cc1)c1cccc(F)c1 ZINC000120382107 326254372 /nfs/dbraw/zinc/25/43/72/326254372.db2.gz ASISGFJHYWSUGK-UHFFFAOYSA-N -1 1 350.415 2.459 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1(C2CC2)CCC1 ZINC000120581407 326270240 /nfs/dbraw/zinc/27/02/40/326270240.db2.gz KKAKIDJGJJOBIN-UHFFFAOYSA-N -1 1 352.438 2.379 20 0 FEADMM CN(CCc1nccs1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000120845061 326292994 /nfs/dbraw/zinc/29/29/94/326292994.db2.gz YLCCTBUWHLKYDL-UHFFFAOYSA-N -1 1 371.484 2.128 20 0 FEADMM CC(C)CN1N=C(C(=O)Nc2nc(Br)ccc2[O-])CCC1=O ZINC000121510735 326344293 /nfs/dbraw/zinc/34/42/93/326344293.db2.gz JKOJCYQGYQIUIN-UHFFFAOYSA-N -1 1 369.219 2.123 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1c([O-])cccc1F ZINC000121941589 326377261 /nfs/dbraw/zinc/37/72/61/326377261.db2.gz UWWJVITWOBRHAQ-INIZCTEOSA-N -1 1 356.397 2.495 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)co1 ZINC000122536959 326400653 /nfs/dbraw/zinc/40/06/53/326400653.db2.gz QAGBQCGJNDMOID-CYBMUJFWSA-N -1 1 354.815 2.258 20 0 FEADMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000124812840 326460512 /nfs/dbraw/zinc/46/05/12/326460512.db2.gz MHULCBPQKQCMLA-SSDOTTSWSA-N -1 1 359.753 2.446 20 0 FEADMM COc1ccccc1CN(CCO)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000130259125 326553776 /nfs/dbraw/zinc/55/37/76/326553776.db2.gz XKJGHEIRHIEVNZ-UHFFFAOYSA-N -1 1 373.453 2.019 20 0 FEADMM Cc1cccc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000130486013 326557712 /nfs/dbraw/zinc/55/77/12/326557712.db2.gz FYEZRSILBKJHHS-UHFFFAOYSA-N -1 1 360.435 2.323 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCOCC1 ZINC000132985723 326601198 /nfs/dbraw/zinc/60/11/98/326601198.db2.gz ROHWSQZTCNUTAT-CQSZACIVSA-N -1 1 371.275 2.241 20 0 FEADMM Cc1ccc(NC(=O)CO)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000136067419 326649523 /nfs/dbraw/zinc/64/95/23/326649523.db2.gz VDMSCSSTBAXRDG-UHFFFAOYSA-N -1 1 354.815 2.380 20 0 FEADMM COCc1nc2n(n1)C[C@H](NC(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000138362044 326662598 /nfs/dbraw/zinc/66/25/98/326662598.db2.gz NQXZXUUQWLFXHR-CQSZACIVSA-N -1 1 352.394 2.028 20 0 FEADMM CNC(=O)c1cccc(CCNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000153872921 326745163 /nfs/dbraw/zinc/74/51/63/326745163.db2.gz XWFYCRWXRVJHCK-UHFFFAOYSA-N -1 1 362.813 2.386 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)co1 ZINC000154275130 326755661 /nfs/dbraw/zinc/75/56/61/326755661.db2.gz JJRYESMGPCQOLW-HNNXBMFYSA-N -1 1 368.430 2.324 20 0 FEADMM CC(C)CO[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000156572804 326836614 /nfs/dbraw/zinc/83/66/14/326836614.db2.gz ATFHUECYPPMKPW-UHFFFAOYSA-N -1 1 360.501 2.169 20 0 FEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164632303 327072672 /nfs/dbraw/zinc/07/26/72/327072672.db2.gz RRYAKKHCPPFYHY-ZDUSSCGKSA-N -1 1 356.369 2.043 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c1Cl ZINC000171041619 327114199 /nfs/dbraw/zinc/11/41/99/327114199.db2.gz CJCQGCZLPOMUEG-CHWSQXEVSA-N -1 1 355.847 2.272 20 0 FEADMM CCN(Cc1ccc(OC)cc1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000171449270 327139915 /nfs/dbraw/zinc/13/99/15/327139915.db2.gz IWFJJNZBBCPNKB-UHFFFAOYSA-N -1 1 368.437 2.239 20 0 FEADMM Cc1nc([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n[nH]1 ZINC000171551313 327145381 /nfs/dbraw/zinc/14/53/81/327145381.db2.gz VIQWUPKRHLLZLQ-UHFFFAOYSA-N -1 1 355.255 2.104 20 0 FEADMM O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000171863640 327166379 /nfs/dbraw/zinc/16/63/79/327166379.db2.gz LKQNHBGNXXUCDC-UHFFFAOYSA-N -1 1 358.373 2.353 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc4scnc4c3)cc21 ZINC000172275603 327192049 /nfs/dbraw/zinc/19/20/49/327192049.db2.gz PTOMTEUHNAYSEG-UHFFFAOYSA-N -1 1 359.432 2.383 20 0 FEADMM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000172897099 327225204 /nfs/dbraw/zinc/22/52/04/327225204.db2.gz REQPPUHGIALMSO-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)o1 ZINC000174225313 327314093 /nfs/dbraw/zinc/31/40/93/327314093.db2.gz HPDNDSBYNAKCQJ-UKRRQHHQSA-N -1 1 362.451 2.454 20 0 FEADMM CCS[C@H]1CC[C@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000174423451 327326305 /nfs/dbraw/zinc/32/63/05/327326305.db2.gz OKHXKZDYMUYMGF-KBPBESRZSA-N -1 1 362.499 2.315 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000175219311 327380957 /nfs/dbraw/zinc/38/09/57/327380957.db2.gz HAEKOUMFHFBRGZ-LBPRGKRZSA-N -1 1 367.303 2.111 20 0 FEADMM CCS[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000175278974 327384136 /nfs/dbraw/zinc/38/41/36/327384136.db2.gz VSCVDEHKSFYGNQ-GJZGRUSLSA-N -1 1 362.499 2.362 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000176413602 327454465 /nfs/dbraw/zinc/45/44/65/327454465.db2.gz VPMGWCBAXGZALF-OAHLLOKOSA-N -1 1 371.437 2.113 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@](C)(O)C3)cc2)cc1 ZINC000177389817 327518881 /nfs/dbraw/zinc/51/88/81/327518881.db2.gz FQYCAXNDOJWEHD-IBGZPJMESA-N -1 1 374.462 2.393 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c(=O)[n-]1 ZINC000177887389 327551283 /nfs/dbraw/zinc/55/12/83/327551283.db2.gz ZOLRVBLJJZZDCZ-XJKSGUPXSA-N -1 1 367.515 2.300 20 0 FEADMM CCCc1cc(=O)[n-]c(SCc2noc(CCCC(=O)OC)n2)n1 ZINC000264618382 329041444 /nfs/dbraw/zinc/04/14/44/329041444.db2.gz HLEJTWMRTRCPMF-UHFFFAOYSA-N -1 1 352.416 2.306 20 0 FEADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc([O-])c(Cl)c1 ZINC000264919079 329074411 /nfs/dbraw/zinc/07/44/11/329074411.db2.gz JLSQNUINEFZJHA-UHFFFAOYSA-N -1 1 351.790 2.239 20 0 FEADMM CCOC[C@H]1CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000265085237 329089200 /nfs/dbraw/zinc/08/92/00/329089200.db2.gz ZKVHZAHYRJYXEK-HNNXBMFYSA-N -1 1 370.453 2.370 20 0 FEADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000265157249 329097248 /nfs/dbraw/zinc/09/72/48/329097248.db2.gz ZBRXEVVHELFOJB-UHFFFAOYSA-N -1 1 367.448 2.134 20 0 FEADMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000265770431 329158488 /nfs/dbraw/zinc/15/84/88/329158488.db2.gz IRDRTQHBXDOCRY-ZETCQYMHSA-N -1 1 358.769 2.162 20 0 FEADMM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OCc1ccccc1 ZINC000266234795 329203141 /nfs/dbraw/zinc/20/31/41/329203141.db2.gz YUMRMVUYPYVOIP-INIZCTEOSA-N -1 1 366.439 2.252 20 0 FEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000266617516 329242218 /nfs/dbraw/zinc/24/22/18/329242218.db2.gz YQGUFYFWYUCDOD-ZDUSSCGKSA-N -1 1 373.840 2.356 20 0 FEADMM CCC1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCOCC1 ZINC000266647017 329245435 /nfs/dbraw/zinc/24/54/35/329245435.db2.gz MSYWHZHYGCYRCY-UHFFFAOYSA-N -1 1 360.458 2.307 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)o1 ZINC000266899764 329270757 /nfs/dbraw/zinc/27/07/57/329270757.db2.gz HCSJCCDVUFZXJO-ZFWWWQNUSA-N -1 1 362.451 2.281 20 0 FEADMM CCN(CC(C)(C)O)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266961323 329277235 /nfs/dbraw/zinc/27/72/35/329277235.db2.gz CQHZOSCMKZHZIC-UHFFFAOYSA-N -1 1 358.442 2.105 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000266991791 329280719 /nfs/dbraw/zinc/28/07/19/329280719.db2.gz VJLSEKUFZGIJHY-UHFFFAOYSA-N -1 1 372.450 2.269 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000267068647 329288575 /nfs/dbraw/zinc/28/85/75/329288575.db2.gz YRLAUHFFMIHTMQ-UHFFFAOYSA-N -1 1 356.382 2.371 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](OCC(C)C)C2)c(=O)[n-]1 ZINC000268211271 329397168 /nfs/dbraw/zinc/39/71/68/329397168.db2.gz ALGDLQYUUNFOFC-CYBMUJFWSA-N -1 1 353.488 2.419 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000268305984 329406534 /nfs/dbraw/zinc/40/65/34/329406534.db2.gz ZQADFWHVHJVFFD-MRXNPFEDSA-N -1 1 370.453 2.369 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)n1 ZINC000268364192 329412041 /nfs/dbraw/zinc/41/20/41/329412041.db2.gz GOWUFAAMHZTVNY-UHFFFAOYSA-N -1 1 350.396 2.361 20 0 FEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1F ZINC000272091965 329751430 /nfs/dbraw/zinc/75/14/30/329751430.db2.gz JCBKISCUFIJLBO-UHFFFAOYSA-N -1 1 369.370 2.380 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(OC)cc1 ZINC000272800479 329814266 /nfs/dbraw/zinc/81/42/66/329814266.db2.gz BIYYQQIBUZBIBQ-GFCCVEGCSA-N -1 1 370.452 2.368 20 0 FEADMM O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1ccc(O)cc1[O-] ZINC000272936104 329824799 /nfs/dbraw/zinc/82/47/99/329824799.db2.gz GTRPPTPYAVWSBX-ZDUSSCGKSA-N -1 1 370.405 2.195 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CCCCS1 ZINC000273036597 329831694 /nfs/dbraw/zinc/83/16/94/329831694.db2.gz ZWERDAXEKFYXKX-HNNXBMFYSA-N -1 1 370.496 2.401 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nc(N(C)C)no2)c1 ZINC000275716286 330080725 /nfs/dbraw/zinc/08/07/25/330080725.db2.gz RHPDSTYEBXHSCE-UHFFFAOYSA-N -1 1 369.219 2.483 20 0 FEADMM CC(C)(C)Oc1cccc(CCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC000367110025 330217946 /nfs/dbraw/zinc/21/79/46/330217946.db2.gz LFHSHEMQCJCYLE-CYBMUJFWSA-N -1 1 358.446 2.111 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@@H](C)C(C)C)CC2)n1 ZINC000369326003 330239873 /nfs/dbraw/zinc/23/98/73/330239873.db2.gz BWCVTRSLIYKWEQ-GFCCVEGCSA-N -1 1 351.451 2.163 20 0 FEADMM COC(=O)N1CCC(CNC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000804687649 674297302 /nfs/dbraw/zinc/29/73/02/674297302.db2.gz CESBZZBZTZOUJH-UHFFFAOYSA-N -1 1 371.231 2.363 20 0 FEADMM Cc1ccc(Cl)c2sc(NC(=O)CCn3cc[n-]c(=O)c3=O)nc21 ZINC000804922975 674307176 /nfs/dbraw/zinc/30/71/76/674307176.db2.gz MEGGQTQNJDGKTQ-UHFFFAOYSA-N -1 1 364.814 2.137 20 0 FEADMM CCOC1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000554693318 674330577 /nfs/dbraw/zinc/33/05/77/674330577.db2.gz MBIXKAMTZPROBX-UHFFFAOYSA-N -1 1 360.435 2.348 20 0 FEADMM Cn1cc(N2CCC[C@@H](Sc3nc(C(F)(F)F)cc(=O)[n-]3)C2=O)cn1 ZINC000151039531 518194981 /nfs/dbraw/zinc/19/49/81/518194981.db2.gz QSQNQHPEAMTOJB-SECBINFHSA-N -1 1 373.360 2.222 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]Cc2noc3ccccc23)c(C(F)(F)F)n1 ZINC000555342593 674357501 /nfs/dbraw/zinc/35/75/01/674357501.db2.gz DPPLWDBYHOLQLY-UHFFFAOYSA-N -1 1 360.317 2.059 20 0 FEADMM Cc1cc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n(C)n1 ZINC000806141225 674369024 /nfs/dbraw/zinc/36/90/24/674369024.db2.gz QSADAFJAVGHOBV-PEXQALLHSA-N -1 1 361.368 2.038 20 0 FEADMM C[C@H]1CC[C@H](CNC(=O)c2ccc(I)c([O-])c2)O1 ZINC000398090369 558626203 /nfs/dbraw/zinc/62/62/03/558626203.db2.gz XFSJNVZEVOUSCH-WCBMZHEXSA-N -1 1 361.179 2.294 20 0 FEADMM O=C(c1cc2c(cccc2OC(F)F)[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155464162 545528981 /nfs/dbraw/zinc/52/89/81/545528981.db2.gz WQGCLWBIYLZRTC-SECBINFHSA-N -1 1 362.340 2.302 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(CC)CC ZINC000155508185 545534725 /nfs/dbraw/zinc/53/47/25/545534725.db2.gz JWJCFJBPWAQABL-KGLIPLIRSA-N -1 1 372.487 2.244 20 0 FEADMM C[C@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155481460 545532296 /nfs/dbraw/zinc/53/22/96/545532296.db2.gz WPXHWZNRECOOKX-HOCLYGCPSA-N -1 1 354.458 2.137 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c(C)c1C(=O)[O-] ZINC000156337721 545619263 /nfs/dbraw/zinc/61/92/63/545619263.db2.gz PONTZBDVEOMNNV-UHFFFAOYSA-N -1 1 359.354 2.264 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000477386192 561143717 /nfs/dbraw/zinc/14/37/17/561143717.db2.gz XORATLMQMZTAIF-SNVBAGLBSA-N -1 1 371.397 2.318 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000477430186 561144824 /nfs/dbraw/zinc/14/48/24/561144824.db2.gz FSPQPIPOFGHABQ-UHFFFAOYSA-N -1 1 365.432 2.020 20 0 FEADMM Cn1c(=O)oc2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)ccc21 ZINC000157766314 545780196 /nfs/dbraw/zinc/78/01/96/545780196.db2.gz BGEBHQVXDFCQHC-UHFFFAOYSA-N -1 1 358.297 2.350 20 0 FEADMM COc1ccc(C(=O)CCCCC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000478088971 561159758 /nfs/dbraw/zinc/15/97/58/561159758.db2.gz MSWXZNZAZLNVSU-ZDUSSCGKSA-N -1 1 359.430 2.214 20 0 FEADMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000478104217 561159979 /nfs/dbraw/zinc/15/99/79/561159979.db2.gz RHFKJLAEOZWFPO-UHFFFAOYSA-N -1 1 368.220 2.482 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(CO)C3)cc2)c1 ZINC000159116330 545923248 /nfs/dbraw/zinc/92/32/48/545923248.db2.gz BYXRSOAJHXIWMQ-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000479135054 561182326 /nfs/dbraw/zinc/18/23/26/561182326.db2.gz HHCFPDCXLYWYQN-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](OCC)C23CCCC3)o1 ZINC000479207157 561184679 /nfs/dbraw/zinc/18/46/79/561184679.db2.gz RBHCHHQGNQSPQX-KBPBESRZSA-N -1 1 371.455 2.472 20 0 FEADMM CCCCCOC1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000480017053 561201475 /nfs/dbraw/zinc/20/14/75/561201475.db2.gz RADFODWBXHEYQS-UHFFFAOYSA-N -1 1 360.458 2.402 20 0 FEADMM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000480057303 561202273 /nfs/dbraw/zinc/20/22/73/561202273.db2.gz UQUWZHSFVIBCMM-UHFFFAOYSA-N -1 1 367.340 2.018 20 0 FEADMM O=C(NCC1(O)CCCC1)c1cc(I)ccc1[O-] ZINC000175954196 546378830 /nfs/dbraw/zinc/37/88/30/546378830.db2.gz CYPOHHPSJVFFML-UHFFFAOYSA-N -1 1 361.179 2.032 20 0 FEADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000176045646 546395313 /nfs/dbraw/zinc/39/53/13/546395313.db2.gz SYINQUCFZGLZNC-QMMMGPOBSA-N -1 1 351.403 2.439 20 0 FEADMM COc1ccc(F)cc1[C@@H](C)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000176045663 546395416 /nfs/dbraw/zinc/39/54/16/546395416.db2.gz SYINQUCFZGLZNC-MRVPVSSYSA-N -1 1 351.403 2.439 20 0 FEADMM O=C(CSc1cc(Cl)ccc1Cl)NCCCc1nc(=O)[n-][nH]1 ZINC000176254348 546424327 /nfs/dbraw/zinc/42/43/27/546424327.db2.gz NZXBVVPKYGNJSJ-UHFFFAOYSA-N -1 1 361.254 2.246 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)C12CCCC2 ZINC000176484590 546452766 /nfs/dbraw/zinc/45/27/66/546452766.db2.gz LJKCLUGVERKMDX-VXGBXAGGSA-N -1 1 351.472 2.268 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1nn[n-]n1 ZINC000176761686 546484931 /nfs/dbraw/zinc/48/49/31/546484931.db2.gz LBUXCSGEPKVFAA-NSHDSACASA-N -1 1 361.431 2.090 20 0 FEADMM CCCCO[C@H]1C[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(C)C ZINC000176879457 546500080 /nfs/dbraw/zinc/50/00/80/546500080.db2.gz MBXPTQWBFFGEHV-CVEARBPZSA-N -1 1 374.485 2.282 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@](C)(O)C3)cc2)cc1 ZINC000177389800 546606788 /nfs/dbraw/zinc/60/67/88/546606788.db2.gz FQYCAXNDOJWEHD-LJQANCHMSA-N -1 1 374.462 2.393 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000178818268 546855098 /nfs/dbraw/zinc/85/50/98/546855098.db2.gz FBMIHQXZSNQDKF-UHFFFAOYSA-N -1 1 367.858 2.400 20 0 FEADMM Cc1cccc2c(CCC(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c[nH]c21 ZINC000179537715 546973402 /nfs/dbraw/zinc/97/34/02/546973402.db2.gz SSTIGFDQJQZGPU-UHFFFAOYSA-N -1 1 373.434 2.401 20 0 FEADMM Cc1c2ccccc2oc1[C@H](C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000482169070 561249522 /nfs/dbraw/zinc/24/95/22/561249522.db2.gz JDRNKBMARQTETK-LBPRGKRZSA-N -1 1 353.378 2.449 20 0 FEADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1(=O)=O ZINC000180704762 547163858 /nfs/dbraw/zinc/16/38/58/547163858.db2.gz ADDXKFMTEFRFDD-UHFFFAOYSA-N -1 1 351.346 2.060 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1cn2ccsc2n1 ZINC000181080418 547245540 /nfs/dbraw/zinc/24/55/40/547245540.db2.gz XHADHMBWUPZFJD-UHFFFAOYSA-N -1 1 368.415 2.088 20 0 FEADMM CN(Cc1cc[nH]n1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000484003262 561289224 /nfs/dbraw/zinc/28/92/24/561289224.db2.gz LWXJOQAOBKWDRC-UHFFFAOYSA-N -1 1 370.434 2.483 20 0 FEADMM Cn1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000183112539 547604609 /nfs/dbraw/zinc/60/46/09/547604609.db2.gz BJOBDJKNEPQORO-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cs1 ZINC000484595274 561300847 /nfs/dbraw/zinc/30/08/47/561300847.db2.gz CZDHUIBEYBMAJL-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM CCC1(CC)CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC[S@]1=O ZINC000183846704 547728292 /nfs/dbraw/zinc/72/82/92/547728292.db2.gz WNEAYWPYYUDETN-RUZDIDTESA-N -1 1 367.515 2.139 20 0 FEADMM COCc1ccccc1S(=O)(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000484669040 561302879 /nfs/dbraw/zinc/30/28/79/561302879.db2.gz JHZJWTASKSVLML-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM Cc1nn(C)c2cc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)ccc12 ZINC000485014999 561310397 /nfs/dbraw/zinc/31/03/97/561310397.db2.gz GOLLGMFFPIXGAP-UHFFFAOYSA-N -1 1 364.365 2.192 20 0 FEADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000485027110 561310765 /nfs/dbraw/zinc/31/07/65/561310765.db2.gz UXOQMGVCNSNSKS-UHFFFAOYSA-N -1 1 359.411 2.456 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](C)c2ncc(C)s2)c(=O)[n-]1 ZINC000184776868 547877931 /nfs/dbraw/zinc/87/79/31/547877931.db2.gz GYFWAQOHNPEXFS-SECBINFHSA-N -1 1 366.512 2.418 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184965704 547908462 /nfs/dbraw/zinc/90/84/62/547908462.db2.gz LCCVZXHPEATHOH-CYBMUJFWSA-N -1 1 372.462 2.231 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)sc1C(=O)[O-] ZINC000185124367 547936840 /nfs/dbraw/zinc/93/68/40/547936840.db2.gz YLQQCONWGXTJQV-CYBMUJFWSA-N -1 1 372.512 2.394 20 0 FEADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000185656931 548016276 /nfs/dbraw/zinc/01/62/76/548016276.db2.gz ZHJSFRSZMLZOSI-JOCHJYFZSA-N -1 1 351.449 2.301 20 0 FEADMM O=C(C[N-]S(=O)(=O)Cc1noc2ccccc21)OC1CCCCC1 ZINC000185894247 548054757 /nfs/dbraw/zinc/05/47/57/548054757.db2.gz MUCMQVXLUDDFSR-UHFFFAOYSA-N -1 1 352.412 2.123 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)o1 ZINC000186279699 548111738 /nfs/dbraw/zinc/11/17/38/548111738.db2.gz AEJNWLAIELDIPV-SNVBAGLBSA-N -1 1 350.396 2.047 20 0 FEADMM COC(=O)c1cccc2[nH]c([N-]S(=O)(=O)Cc3ccccc3F)nc21 ZINC000186630419 548162126 /nfs/dbraw/zinc/16/21/26/548162126.db2.gz ZVOFKUXGJPBJEI-UHFFFAOYSA-N -1 1 363.370 2.431 20 0 FEADMM Cc1ccccc1CS(=O)(=O)[N-]c1cccc(CN2CCOCC2)n1 ZINC000186630560 548162571 /nfs/dbraw/zinc/16/25/71/548162571.db2.gz ZFAFECRVGDXYBS-UHFFFAOYSA-N -1 1 361.467 2.164 20 0 FEADMM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1cncnc1-n1cccn1 ZINC000194701690 548517442 /nfs/dbraw/zinc/51/74/42/548517442.db2.gz PSGYADRSVRHVBU-UHFFFAOYSA-N -1 1 367.793 2.397 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCCO)cc2)cc1 ZINC000195023962 548565792 /nfs/dbraw/zinc/56/57/92/548565792.db2.gz DFOCPGGIYIXGTD-UHFFFAOYSA-N -1 1 362.451 2.298 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nccn3C(F)F)n2)cc1 ZINC000195120216 548579553 /nfs/dbraw/zinc/57/95/53/548579553.db2.gz JBNCTQHPHHXWMC-UHFFFAOYSA-N -1 1 369.353 2.046 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3nccn3C(F)F)n[n-]2)cc1 ZINC000195120216 548579555 /nfs/dbraw/zinc/57/95/55/548579555.db2.gz JBNCTQHPHHXWMC-UHFFFAOYSA-N -1 1 369.353 2.046 20 0 FEADMM Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c1 ZINC000195168923 548588612 /nfs/dbraw/zinc/58/86/12/548588612.db2.gz ULOPUTVFCVBZIU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1 ZINC000195168923 548588618 /nfs/dbraw/zinc/58/86/18/548588618.db2.gz ULOPUTVFCVBZIU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c1 ZINC000195168923 548588624 /nfs/dbraw/zinc/58/86/24/548588624.db2.gz ULOPUTVFCVBZIU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(CC)CC ZINC000487123647 561364276 /nfs/dbraw/zinc/36/42/76/561364276.db2.gz WMLGNBVWRQPMDF-CHWSQXEVSA-N -1 1 359.444 2.328 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc12 ZINC000195450779 548642280 /nfs/dbraw/zinc/64/22/80/548642280.db2.gz FCYDCGJATVBMJP-UHFFFAOYSA-N -1 1 358.423 2.403 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(N(C)C)c2)cc1NC(N)=O ZINC000487360731 561368307 /nfs/dbraw/zinc/36/83/07/561368307.db2.gz CQEXEYPKVPYPDT-UHFFFAOYSA-N -1 1 364.427 2.053 20 0 FEADMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487386515 561368844 /nfs/dbraw/zinc/36/88/44/561368844.db2.gz IBOUWKXBFYEGKI-SWLSCSKDSA-N -1 1 357.385 2.266 20 0 FEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487774110 561375533 /nfs/dbraw/zinc/37/55/33/561375533.db2.gz QVAQTDHWLONDSS-DOMZBBRYSA-N -1 1 357.385 2.266 20 0 FEADMM COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000488467930 561390264 /nfs/dbraw/zinc/39/02/64/561390264.db2.gz RTIHGAPPELINND-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248855515 549514487 /nfs/dbraw/zinc/51/44/87/549514487.db2.gz DDIKDPGDLPJYTA-CHWSQXEVSA-N -1 1 354.472 2.092 20 0 FEADMM COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249125296 549557144 /nfs/dbraw/zinc/55/71/44/549557144.db2.gz UCKWBBWGFUVCQE-DGCLKSJQSA-N -1 1 374.528 2.242 20 0 FEADMM CN1CCC[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)[C@H]1c1cccs1 ZINC000249544964 549602936 /nfs/dbraw/zinc/60/29/36/549602936.db2.gz KABQHLGNMKHBAP-PWSUYJOCSA-N -1 1 371.450 2.117 20 0 FEADMM Cc1cccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1Cl ZINC000489972626 561423861 /nfs/dbraw/zinc/42/38/61/561423861.db2.gz NYGHGOBTRVKVLQ-UHFFFAOYSA-N -1 1 354.815 2.183 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(SCC)c1 ZINC000490447715 561433323 /nfs/dbraw/zinc/43/33/23/561433323.db2.gz SZKAHFOWNSGNNP-UHFFFAOYSA-N -1 1 369.468 2.177 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000263068761 549875449 /nfs/dbraw/zinc/87/54/49/549875449.db2.gz REDHUBTWPHKMAZ-QGZVFWFLSA-N -1 1 363.801 2.293 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)n[nH]2)cc1OC ZINC000263204623 549885720 /nfs/dbraw/zinc/88/57/20/549885720.db2.gz MTLFZKNFARJMHP-YPMHNXCESA-N -1 1 373.409 2.419 20 0 FEADMM CCCCN1CCc2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc21 ZINC000490565930 561435218 /nfs/dbraw/zinc/43/52/18/561435218.db2.gz LKYAPJFTLSGLTD-UHFFFAOYSA-N -1 1 368.437 2.318 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000263350955 549896953 /nfs/dbraw/zinc/89/69/53/549896953.db2.gz PSHWCRWEHZZDKF-ZBFHGGJFSA-N -1 1 370.453 2.470 20 0 FEADMM O=C([O-])[C@@H]1CCCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000263444016 549901488 /nfs/dbraw/zinc/90/14/88/549901488.db2.gz XJJSTUADISQGGM-AWEZNQCLSA-N -1 1 365.231 2.469 20 0 FEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263494312 549905310 /nfs/dbraw/zinc/90/53/10/549905310.db2.gz SGZDOEWSQNQCKI-MSOLQXFVSA-N -1 1 361.486 2.444 20 0 FEADMM COc1ccc(-c2cc(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)n[nH]2)cc1OC ZINC000263566231 549908903 /nfs/dbraw/zinc/90/89/03/549908903.db2.gz WJOKBEKZVUWHBU-JTQLQIEISA-N -1 1 359.382 2.172 20 0 FEADMM COCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000490694885 561437451 /nfs/dbraw/zinc/43/74/51/561437451.db2.gz GTCURJZMTWMPRC-UHFFFAOYSA-N -1 1 370.814 2.431 20 0 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C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291045075 552580057 /nfs/dbraw/zinc/58/00/57/552580057.db2.gz LQIBWQKQRZSBRM-ZDUSSCGKSA-N -1 1 367.405 2.372 20 0 FEADMM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000291094747 552586288 /nfs/dbraw/zinc/58/62/88/552586288.db2.gz LCEPDISBAKDBHA-LBPRGKRZSA-N -1 1 356.344 2.420 20 0 FEADMM O=C(C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1)c1ccc([O-])cc1 ZINC000291147452 552592951 /nfs/dbraw/zinc/59/29/51/552592951.db2.gz IDQRCTQMJNTMKQ-NRFANRHFSA-N -1 1 353.418 2.419 20 0 FEADMM CCn1nc(C)c([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1C ZINC000291799044 552662925 /nfs/dbraw/zinc/66/29/25/552662925.db2.gz AMPDBQASLYRHRX-UHFFFAOYSA-N -1 1 357.476 2.385 20 0 FEADMM COCCOCc1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1 ZINC000291917378 552674560 /nfs/dbraw/zinc/67/45/60/552674560.db2.gz MYPUTZVLQNZTRG-UHFFFAOYSA-N -1 1 355.398 2.226 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCc1ccc(O)cc1 ZINC000291919719 552674829 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C[N-]S(=O)(=O)c1cc(C(=O)NCCCCCCCCCCCO)co1 ZINC000294783743 552933987 /nfs/dbraw/zinc/93/39/87/552933987.db2.gz ZKLFDFDHPFQBOA-UHFFFAOYSA-N -1 1 374.503 2.421 20 0 FEADMM Cc1ccc(N2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)cc1 ZINC000294972345 552948226 /nfs/dbraw/zinc/94/82/26/552948226.db2.gz ONQUNQJZUPLIRA-UHFFFAOYSA-N -1 1 353.451 2.289 20 0 FEADMM Cc1ccn2ncc(C(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)c2c1 ZINC000295070608 552956110 /nfs/dbraw/zinc/95/61/10/552956110.db2.gz CYHXBQYSOFXEJB-UHFFFAOYSA-N -1 1 368.359 2.173 20 0 FEADMM CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000295358963 552993237 /nfs/dbraw/zinc/99/32/37/552993237.db2.gz CLHBXZGTYLNWSL-LLVKDONJSA-N -1 1 371.231 2.458 20 0 FEADMM CCOC(=O)c1csc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000295669246 553041975 /nfs/dbraw/zinc/04/19/75/553041975.db2.gz JOSICIDMDRZCAR-VIFPVBQESA-N -1 1 365.377 2.215 20 0 FEADMM CCOC(=O)c1cnn(C2CCN(C(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000295752557 553054518 /nfs/dbraw/zinc/05/45/18/553054518.db2.gz 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2.314 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(F)cc3C(=O)[O-])cc12 ZINC000508466154 561762837 /nfs/dbraw/zinc/76/28/37/561762837.db2.gz JKZHAKUHRDWCSI-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCC[C@H]2O)o1 ZINC000331055240 554207138 /nfs/dbraw/zinc/20/71/38/554207138.db2.gz KNRHTHPZFPHLSI-DYVFJYSZSA-N -1 1 372.487 2.027 20 0 FEADMM C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331288746 554241569 /nfs/dbraw/zinc/24/15/69/554241569.db2.gz NLLGQGILJIERAY-LURJTMIESA-N -1 1 362.698 2.461 20 0 FEADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000509091050 561784526 /nfs/dbraw/zinc/78/45/26/561784526.db2.gz YIMKWHKDVGWAIW-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM CC(C)(NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nn[n-]n1 ZINC000509140118 561786735 /nfs/dbraw/zinc/78/67/35/561786735.db2.gz PRLVTXSADFDPBW-UHFFFAOYSA-N -1 1 350.354 2.267 20 0 FEADMM CC(C)(C)OCc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)no1 ZINC000331760958 554322044 /nfs/dbraw/zinc/32/20/44/554322044.db2.gz AYVINPUGCRSNTM-JTQLQIEISA-N -1 1 350.375 2.098 20 0 FEADMM CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)s1 ZINC000331765122 554322686 /nfs/dbraw/zinc/32/26/86/554322686.db2.gz CASCUPAINGQGEY-ZJUUUORDSA-N -1 1 352.416 2.267 20 0 FEADMM Cc1nn(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1-c1ccccc1 ZINC000509259439 561792468 /nfs/dbraw/zinc/79/24/68/561792468.db2.gz GFPNTWLFMDZWDO-UHFFFAOYSA-N -1 1 367.409 2.353 20 0 FEADMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000509279358 561793447 /nfs/dbraw/zinc/79/34/47/561793447.db2.gz MPSCYIOAZGHXOJ-HIFRSBDPSA-N -1 1 373.409 2.302 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)n1 ZINC000332091078 554377968 /nfs/dbraw/zinc/37/79/68/554377968.db2.gz LRIBNZJJYSHEBR-HTQZYQBOSA-N -1 1 357.819 2.394 20 0 FEADMM COC(=O)[C@@H](CN=c1nc([C@H](C)OC)[n-]s1)Cc1cccc(F)c1 ZINC000509681168 561810301 /nfs/dbraw/zinc/81/03/01/561810301.db2.gz NMXHDZFSXCMDSY-CMPLNLGQSA-N -1 1 353.419 2.250 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1C ZINC000332204806 554400990 /nfs/dbraw/zinc/40/09/90/554400990.db2.gz YDNSRONBPSOQLH-UHFFFAOYSA-N -1 1 352.391 2.105 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2C[C@@H]2c2cc(OC)ccc2OC)n1 ZINC000510012042 561821813 /nfs/dbraw/zinc/82/18/13/561821813.db2.gz FMIYQSNTIZYGJT-YPMHNXCESA-N -1 1 359.382 2.346 20 0 FEADMM CC(C)(C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccc(Cl)cc1 ZINC000332328673 554426055 /nfs/dbraw/zinc/42/60/55/554426055.db2.gz RVMAGCRANUCZBX-UHFFFAOYSA-N -1 1 365.890 2.400 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000332550984 554469996 /nfs/dbraw/zinc/46/99/96/554469996.db2.gz PKITYALVVABYHK-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM CC[C@]1(C)COCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000332550941 554470131 /nfs/dbraw/zinc/47/01/31/554470131.db2.gz PHVIGPMBZZMDCD-LJQANCHMSA-N -1 1 356.426 2.123 20 0 FEADMM CC1(C)CN(C(=O)N=c2nc3n([n-]2)CCCC3)CCN1Cc1ccccc1 ZINC000333704009 554635132 /nfs/dbraw/zinc/63/51/32/554635132.db2.gz RXNFIJNCPNRDCQ-UHFFFAOYSA-N -1 1 368.485 2.743 20 0 FEADMM COc1ccc(N(CC(C)C)C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000511051896 561855051 /nfs/dbraw/zinc/85/50/51/561855051.db2.gz MWPFCYRDRYAMRK-UHFFFAOYSA-N -1 1 357.410 2.215 20 0 FEADMM CC1(C)C[C@]1(C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000612118448 554736458 /nfs/dbraw/zinc/73/64/58/554736458.db2.gz FLVVMIBKIHDTMX-GOSISDBHSA-N -1 1 357.483 2.137 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc4[nH]c(C)nc43)no2)co1 ZINC000349695566 554738093 /nfs/dbraw/zinc/73/80/93/554738093.db2.gz VJRFZLXSZXDKRC-UHFFFAOYSA-N -1 1 359.367 2.089 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(Cc3ccccn3)no2)o1 ZINC000349817128 554744147 /nfs/dbraw/zinc/74/41/47/554744147.db2.gz UOCYIVNMOHAFQP-UHFFFAOYSA-N -1 1 362.411 2.392 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccc(OC(F)F)c(F)c1)c2=O ZINC000511137517 561858745 /nfs/dbraw/zinc/85/87/45/561858745.db2.gz VLHWVYNDHSGJTG-UHFFFAOYSA-N -1 1 366.299 2.344 20 0 FEADMM CC(C)CNC(=O)Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000350226484 554770130 /nfs/dbraw/zinc/77/01/30/554770130.db2.gz DVWIXMHHECZNLI-UHFFFAOYSA-N -1 1 353.382 2.005 20 0 FEADMM Cc1c([C@H]2[C@H](c3nc(-c4ccc([O-])c(F)c4)no3)CC(=O)N2C)cnn1C ZINC000350614914 554802643 /nfs/dbraw/zinc/80/26/43/554802643.db2.gz YTLUGADGBGMPMQ-BDJLRTHQSA-N -1 1 371.372 2.310 20 0 FEADMM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1ccc(Br)o1 ZINC000511258929 561863057 /nfs/dbraw/zinc/86/30/57/561863057.db2.gz IIOZXPCMHWRVPF-JTQLQIEISA-N -1 1 352.250 2.262 20 0 FEADMM Cc1cc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)ccc1O ZINC000350944411 554824732 /nfs/dbraw/zinc/82/47/32/554824732.db2.gz NGHMFYQRBFBORS-UHFFFAOYSA-N -1 1 351.409 2.291 20 0 FEADMM C[C@@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccccc1C(F)(F)F ZINC000360939299 554896223 /nfs/dbraw/zinc/89/62/23/554896223.db2.gz CDQFAZNOMQCHBV-GWCFXTLKSA-N -1 1 369.347 2.312 20 0 FEADMM COc1ccccc1[C@@H]1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000360989903 554899002 /nfs/dbraw/zinc/89/90/02/554899002.db2.gz NHTOMZAKAQYVKY-GFCCVEGCSA-N -1 1 352.394 2.312 20 0 FEADMM CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccccc2[O-])C1 ZINC000363073965 555024284 /nfs/dbraw/zinc/02/42/84/555024284.db2.gz GIKCTRPLEDHXDD-UHFFFAOYSA-N -1 1 360.435 2.352 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000363316388 555077201 /nfs/dbraw/zinc/07/72/01/555077201.db2.gz JDFMVLXQOXPVPB-LBPRGKRZSA-N -1 1 365.393 2.203 20 0 FEADMM O=C(c1ccc(OCC2CCCCC2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363518582 555126084 /nfs/dbraw/zinc/12/60/84/555126084.db2.gz YBCIRUSGPASIBL-KRWDZBQOSA-N -1 1 371.441 2.373 20 0 FEADMM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512016579 561888943 /nfs/dbraw/zinc/88/89/43/561888943.db2.gz HJAIUDSUKLSKKK-XJKSGUPXSA-N -1 1 352.394 2.359 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C)c2=O ZINC000512020259 561889195 /nfs/dbraw/zinc/88/91/95/561889195.db2.gz PPCNSHCKGKDBJY-CYBMUJFWSA-N -1 1 360.414 2.010 20 0 FEADMM CCCCCn1cc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)c(C)n1 ZINC000512017583 561889242 /nfs/dbraw/zinc/88/92/42/561889242.db2.gz KJDBACDBHWWZQF-UHFFFAOYSA-N -1 1 356.430 2.299 20 0 FEADMM CN(C[C@H]1OCCc2ccccc21)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512039007 561889928 /nfs/dbraw/zinc/88/99/28/561889928.db2.gz CIFYQJFKCYOCSP-MRXNPFEDSA-N -1 1 352.394 2.060 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000363945736 555219795 /nfs/dbraw/zinc/21/97/95/555219795.db2.gz ASJIMTODOSUZJC-JTQLQIEISA-N -1 1 362.238 2.447 20 0 FEADMM COCCOc1cncc(C(=O)N=c2[nH][n-]c(C)c2Br)c1 ZINC000616009641 555262889 /nfs/dbraw/zinc/26/28/89/555262889.db2.gz YCQJFUASCQHVSA-UHFFFAOYSA-N -1 1 355.192 2.153 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)C2CN(C(=O)C3CCCCC3)C2)c1Br ZINC000616011228 555263556 /nfs/dbraw/zinc/26/35/56/555263556.db2.gz NFRJNICTSHFLQB-UHFFFAOYSA-N -1 1 369.263 2.458 20 0 FEADMM O=C(CCn1nnc2ccccc2c1=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365350 555426688 /nfs/dbraw/zinc/42/66/88/555426688.db2.gz GZKVJMFALWWKKT-UHFFFAOYSA-N -1 1 366.406 2.272 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)c1 ZINC000512790442 561915387 /nfs/dbraw/zinc/91/53/87/561915387.db2.gz MRKWBZZBJZBBKD-UHFFFAOYSA-N -1 1 359.407 2.131 20 0 FEADMM CN1C(=O)CC[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000365090058 555482906 /nfs/dbraw/zinc/48/29/06/555482906.db2.gz RNBLQNKVJZNNFW-NUTKFTJISA-N -1 1 366.845 2.334 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000365461694 555581701 /nfs/dbraw/zinc/58/17/01/555581701.db2.gz MRQZQYWUOILHQP-GXTWGEPZSA-N -1 1 363.462 2.449 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC[C@@H]3CC[C@@H](C)O3)CC2)n1 ZINC000365629881 555626909 /nfs/dbraw/zinc/62/69/09/555626909.db2.gz SXXCBFARZDRCQB-OCCSQVGLSA-N -1 1 364.446 2.035 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)c1 ZINC000365833151 555678750 /nfs/dbraw/zinc/67/87/50/555678750.db2.gz PJGCZVSGYYSSSZ-UHFFFAOYSA-N -1 1 361.375 2.239 20 0 FEADMM CCOC1CC(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000365895511 555694617 /nfs/dbraw/zinc/69/46/17/555694617.db2.gz NZZUKQXGTYQNPT-SRHKJQAYSA-N -1 1 353.785 2.013 20 0 FEADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H]3CCc4[nH]cnc4C3)n2)c1 ZINC000366303120 555806671 /nfs/dbraw/zinc/80/66/71/555806671.db2.gz ICGLFBSPRLLVQG-LLVKDONJSA-N -1 1 355.373 2.036 20 0 FEADMM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(C)C ZINC000513850430 561952549 /nfs/dbraw/zinc/95/25/49/561952549.db2.gz URYINIQWRLMMRR-OLZOCXBDSA-N -1 1 359.444 2.328 20 0 FEADMM Cc1cncn1C1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000366399438 555832794 /nfs/dbraw/zinc/83/27/94/555832794.db2.gz MDWIGWVLCCTEOV-ZDUSSCGKSA-N -1 1 360.380 2.058 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCC[C@@H](CO)C1 ZINC000366537892 555871475 /nfs/dbraw/zinc/87/14/75/555871475.db2.gz XGKORVKBSADUCE-LSDHHAIUSA-N -1 1 370.453 2.010 20 0 FEADMM CO[C@H](CN1CCN(c2nc(=N)[n-]s2)CC1)c1ccc(Cl)cc1 ZINC000514075777 561959575 /nfs/dbraw/zinc/95/95/75/561959575.db2.gz LRHLEBGZEADRLY-CYBMUJFWSA-N -1 1 353.879 2.283 20 0 FEADMM CCOc1ccccc1OCCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366663928 555902863 /nfs/dbraw/zinc/90/28/63/555902863.db2.gz RNKQFVNTTVMBNC-CQSZACIVSA-N -1 1 359.430 2.164 20 0 FEADMM Cc1noc2nc(C(C)C)cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c12 ZINC000366728126 555919068 /nfs/dbraw/zinc/91/90/68/555919068.db2.gz CYZMEZMUPYENRH-NSHDSACASA-N -1 1 355.402 2.188 20 0 FEADMM Cc1cc(=NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c2c([nH]1)CCCC2 ZINC000514719142 561975745 /nfs/dbraw/zinc/97/57/45/561975745.db2.gz LWYXHYKGTBBNGC-UHFFFAOYSA-N -1 1 374.388 2.244 20 0 FEADMM O=C(NC1CCN(c2ncnc3nc[nH]c32)CC1)c1ccc(Cl)cc1[O-] ZINC000367525557 556073904 /nfs/dbraw/zinc/07/39/04/556073904.db2.gz WVRWWMPXOJNMNG-UHFFFAOYSA-N -1 1 372.816 2.111 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCN(c2ccccc2F)CC1 ZINC000367600679 556093688 /nfs/dbraw/zinc/09/36/88/556093688.db2.gz ZCADEKFTGHYRIK-UHFFFAOYSA-N -1 1 366.396 2.415 20 0 FEADMM Cc1nc(-c2ccc(NC[C@@H]3COC4(CCOCC4)O3)nc2)[n-]c(=O)c1C ZINC000367693580 556115888 /nfs/dbraw/zinc/11/58/88/556115888.db2.gz KDTBDZPETPAJGK-OAHLLOKOSA-N -1 1 372.425 2.195 20 0 FEADMM Cc1cc(C(=O)NC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)no1 ZINC000368029334 556198877 /nfs/dbraw/zinc/19/88/77/556198877.db2.gz JDRIBXXBBVSZKJ-UHFFFAOYSA-N -1 1 365.336 2.001 20 0 FEADMM Cn1cc([C@@H]2[C@@H](CN=c3[n-]nc(-c4ccccn4)s3)CCCN2C)cn1 ZINC000368180794 556240174 /nfs/dbraw/zinc/24/01/74/556240174.db2.gz PPBLQOCFJNEWTJ-CJNGLKHVSA-N -1 1 369.498 2.829 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCN([C@@H](CC(C)C)C(=O)[O-])CC2)c(C)s1 ZINC000515660139 562018784 /nfs/dbraw/zinc/01/87/84/562018784.db2.gz NQBPOMLLNGPNJJ-AWEZNQCLSA-N -1 1 374.528 2.171 20 0 FEADMM Cc1nc(-c2ccc(N[C@H]3C[C@@H]4CCCCN4C3=O)nc2)[n-]c(=O)c1C ZINC000516257106 562037704 /nfs/dbraw/zinc/03/77/04/562037704.db2.gz UNZSQFVCYDQIMO-GJZGRUSLSA-N -1 1 353.426 2.426 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1ccc(F)c(F)c1 ZINC000516333407 562040130 /nfs/dbraw/zinc/04/01/30/562040130.db2.gz CUFDIQCNFCPDMX-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM O=C(CCCc1csc2ccccc12)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370329460 556841190 /nfs/dbraw/zinc/84/11/90/556841190.db2.gz FCODYGOULYQYEG-AWEZNQCLSA-N -1 1 357.439 2.337 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)NCCN3[C@H](C)CCC[C@@H]3C)cn21 ZINC000516747514 562056170 /nfs/dbraw/zinc/05/61/70/562056170.db2.gz GORDZCGAXNTILN-QLFBSQMISA-N -1 1 354.520 2.322 20 0 FEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370854987 556991865 /nfs/dbraw/zinc/99/18/65/556991865.db2.gz HJSHLEJHCFIDII-DMDPSCGWSA-N -1 1 368.224 2.210 20 0 FEADMM O=C(C=Cc1cccc(OC2CCCC2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370860337 556993757 /nfs/dbraw/zinc/99/37/57/556993757.db2.gz JNFZBQXJNFLGMN-KBOKABMXSA-N -1 1 369.425 2.134 20 0 FEADMM O=C(NC[C@H](O)C1CC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370925605 557018398 /nfs/dbraw/zinc/01/83/98/557018398.db2.gz WUKHQSDXDIRTRU-ROUUACIJSA-N -1 1 368.433 2.037 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000371068434 557065303 /nfs/dbraw/zinc/06/53/03/557065303.db2.gz GVUUYMQIZFKORV-NIKGAXFTSA-N -1 1 372.469 2.304 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000371342720 557153481 /nfs/dbraw/zinc/15/34/81/557153481.db2.gz ZCEBVGAIZGROJL-AWEZNQCLSA-N -1 1 365.311 2.119 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)Cc1ccsc1 ZINC000517465181 562090693 /nfs/dbraw/zinc/09/06/93/562090693.db2.gz ANBFQGIWILVNRT-LBPRGKRZSA-N -1 1 368.462 2.492 20 0 FEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000517942690 562101282 /nfs/dbraw/zinc/10/12/82/562101282.db2.gz CLOOFBKRGZRSMH-OALUTQOASA-N -1 1 352.434 2.293 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)cnc2n1 ZINC000372026815 557360097 /nfs/dbraw/zinc/36/00/97/557360097.db2.gz SMKRXYMEGDHHHQ-KPZWWZAWSA-N -1 1 359.451 2.428 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCO[C@]3(CCSC3)C1)c2=O ZINC000372026815 557360103 /nfs/dbraw/zinc/36/01/03/557360103.db2.gz SMKRXYMEGDHHHQ-KPZWWZAWSA-N -1 1 359.451 2.428 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000372142368 557391006 /nfs/dbraw/zinc/39/10/06/557391006.db2.gz CMDJMPIXBGZHJW-OSAQELSMSA-N -1 1 363.439 2.057 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1N1CCCC1 ZINC000518860069 562119920 /nfs/dbraw/zinc/11/99/20/562119920.db2.gz IYTWGUKGSDNHQP-UHFFFAOYSA-N -1 1 359.451 2.495 20 0 FEADMM CC(=O)N1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc21 ZINC000372285914 557430432 /nfs/dbraw/zinc/43/04/32/557430432.db2.gz UYHHLWMEEXHDJA-INIZCTEOSA-N -1 1 362.389 2.151 20 0 FEADMM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H](C(C)C)N3CCOCC3)c12 ZINC000519600774 562136538 /nfs/dbraw/zinc/13/65/38/562136538.db2.gz CFGZTOQCKYLITL-GFCCVEGCSA-N -1 1 364.471 2.467 20 0 FEADMM CC(C)(c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1)C(F)(F)F ZINC000373127203 557634085 /nfs/dbraw/zinc/63/40/85/557634085.db2.gz XUACZVDXQCQVFU-GFCCVEGCSA-N -1 1 369.347 2.253 20 0 FEADMM O=C(c1cccc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)c1)N1CCCCC1 ZINC000520355748 562154176 /nfs/dbraw/zinc/15/41/76/562154176.db2.gz QTLGRTBBLTXYBJ-UHFFFAOYSA-N -1 1 374.466 2.282 20 0 FEADMM NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000373978338 557800111 /nfs/dbraw/zinc/80/01/11/557800111.db2.gz VHMYEXOMDSOKMO-GOSISDBHSA-N -1 1 367.449 2.100 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)nc2)[n-]c(=O)c1C ZINC000374167791 557835698 /nfs/dbraw/zinc/83/56/98/557835698.db2.gz MDFICDGHXWGUJM-VCTAVGKDSA-N -1 1 353.426 2.282 20 0 FEADMM COc1coc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1=O ZINC000374227155 557846936 /nfs/dbraw/zinc/84/69/36/557846936.db2.gz YVFCENSDWDWISI-UHFFFAOYSA-N -1 1 357.362 2.089 20 0 FEADMM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000374293992 557859744 /nfs/dbraw/zinc/85/97/44/557859744.db2.gz DULRKQGRPUPAAK-INIZCTEOSA-N -1 1 352.394 2.082 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c1 ZINC000374405885 557880017 /nfs/dbraw/zinc/88/00/17/557880017.db2.gz XXNHECQVMZUSDC-ZDUSSCGKSA-N -1 1 354.362 2.268 20 0 FEADMM O=c1cc(CN2CCNC(=O)[C@@H]2c2ccccc2F)c2ccc([O-])cc2o1 ZINC000374597564 557904392 /nfs/dbraw/zinc/90/43/92/557904392.db2.gz UFLIQXJKTYUAEH-IBGZPJMESA-N -1 1 368.364 2.311 20 0 FEADMM Cn1[n-]c(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)nc1=O ZINC000521278853 562173410 /nfs/dbraw/zinc/17/34/10/562173410.db2.gz SDZUKMZUUKASQO-UHFFFAOYSA-N -1 1 356.348 2.387 20 0 FEADMM O=C(C=Cc1cncs1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000375585261 558053069 /nfs/dbraw/zinc/05/30/69/558053069.db2.gz QSGCWFQEOOBDCV-CXLRFSCWSA-N -1 1 364.793 2.368 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000521586057 562179581 /nfs/dbraw/zinc/17/95/81/562179581.db2.gz AESHJMHHTNCPCO-UHFFFAOYSA-N -1 1 363.801 2.445 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCn2nccc21 ZINC000375975631 558108215 /nfs/dbraw/zinc/10/82/15/558108215.db2.gz RFGJXBUZEPJMMA-UHFFFAOYSA-N -1 1 368.418 2.344 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000375994743 558111261 /nfs/dbraw/zinc/11/12/61/558111261.db2.gz RXSUCLTZYCEYCI-IUODEOHRSA-N -1 1 352.818 2.231 20 0 FEADMM CN1CCC[C@]2(CCN(C(=O)c3ccc(Br)cc3[O-])C2)C1=O ZINC000376238613 558145913 /nfs/dbraw/zinc/14/59/13/558145913.db2.gz DEBMMBDUQXFZKJ-MRXNPFEDSA-N -1 1 367.243 2.239 20 0 FEADMM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000376305450 558155412 /nfs/dbraw/zinc/15/54/12/558155412.db2.gz JJQGKEMTVZGFBC-UHFFFAOYSA-N -1 1 354.397 2.245 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CSC[C@H]1C ZINC000376404100 558168769 /nfs/dbraw/zinc/16/87/69/558168769.db2.gz UQYQRNOQJSHRMG-ABAIWWIYSA-N -1 1 358.467 2.353 20 0 FEADMM O=C(N=c1nc(-c2c(F)cccc2F)[nH][n-]1)c1nc2cccnc2s1 ZINC000376678748 558206865 /nfs/dbraw/zinc/20/68/65/558206865.db2.gz IULKGTOXDFNDRF-UHFFFAOYSA-N -1 1 358.333 3.007 20 0 FEADMM Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)no1 ZINC000377468004 558345877 /nfs/dbraw/zinc/34/58/77/558345877.db2.gz LCRWYJUGVORFRA-UHFFFAOYSA-N -1 1 363.801 2.377 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(n2cncn2)CC1 ZINC000377511688 558354904 /nfs/dbraw/zinc/35/49/04/558354904.db2.gz KYVWAQWKFJSAID-UHFFFAOYSA-N -1 1 351.204 2.224 20 0 FEADMM CC[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000377980165 558456867 /nfs/dbraw/zinc/45/68/67/558456867.db2.gz XTIGJZCNSPDXMG-UWJYYQICSA-N -1 1 370.449 2.427 20 0 FEADMM CCc1cc2c(CN3CCOC[C@@H]3c3noc(C)n3)cc(=O)oc2cc1[O-] ZINC000378538892 558578236 /nfs/dbraw/zinc/57/82/36/558578236.db2.gz ZPXRRPOCYGPVKZ-OAHLLOKOSA-N -1 1 371.393 2.326 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)c2=O ZINC000378571679 558585886 /nfs/dbraw/zinc/58/58/86/558585886.db2.gz QVGDANKHNQQVQI-CZUORRHYSA-N -1 1 352.394 2.182 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cn3c(n2)CCCC3)o1 ZINC000378592658 558590655 /nfs/dbraw/zinc/59/06/55/558590655.db2.gz CTOWNFWWHROTON-ZDUSSCGKSA-N -1 1 353.444 2.041 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCCC[C@H]1Cn1ccnn1 ZINC000378617331 558594862 /nfs/dbraw/zinc/59/48/62/558594862.db2.gz ALIRMNIDMTWHAR-LBPRGKRZSA-N -1 1 365.231 2.441 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cncc3ccccc32)cc1 ZINC000396433642 558623029 /nfs/dbraw/zinc/62/30/29/558623029.db2.gz WVRHIBXQIYLPSB-UHFFFAOYSA-N -1 1 358.375 2.499 20 0 FEADMM C[C@]1(CNC(=O)c2ccc(I)c([O-])c2)CCOC1 ZINC000397115678 558623808 /nfs/dbraw/zinc/62/38/08/558623808.db2.gz HKACMHHKAJSYRQ-CYBMUJFWSA-N -1 1 361.179 2.153 20 0 FEADMM COC(C)(C)CN(C)C(=O)c1cc(I)ccc1[O-] ZINC000404251612 558631161 /nfs/dbraw/zinc/63/11/61/558631161.db2.gz AJZWYDXKEFWGMG-UHFFFAOYSA-N -1 1 363.195 2.494 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc(Cl)c1[O-] ZINC000408066145 558642697 /nfs/dbraw/zinc/64/26/97/558642697.db2.gz VFPNTVRNKYHNDN-WPKBUWHJSA-N -1 1 369.845 2.446 20 0 FEADMM O=S(=O)(Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc([O-])cc1 ZINC000524258883 562226082 /nfs/dbraw/zinc/22/60/82/562226082.db2.gz AJZCDKMRKIHVRE-UHFFFAOYSA-N -1 1 360.347 2.145 20 0 FEADMM C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450212 558678508 /nfs/dbraw/zinc/67/85/08/558678508.db2.gz DEKCTRJHVDZVFU-UONOGXRCSA-N -1 1 358.417 2.416 20 0 FEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000408450212 558678510 /nfs/dbraw/zinc/67/85/10/558678510.db2.gz DEKCTRJHVDZVFU-UONOGXRCSA-N -1 1 358.417 2.416 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000410307960 558750944 /nfs/dbraw/zinc/75/09/44/558750944.db2.gz MQZOERPQJDGXDG-QMMMGPOBSA-N -1 1 371.224 2.791 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC(OC(C)C)CC1 ZINC000525597904 562250689 /nfs/dbraw/zinc/25/06/89/562250689.db2.gz JMVXIYULVKXCAG-UHFFFAOYSA-N -1 1 370.453 2.099 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000525897361 562258979 /nfs/dbraw/zinc/25/89/79/562258979.db2.gz CCCZABZMTBICKS-GVDBMIGSSA-N -1 1 368.437 2.169 20 0 FEADMM NC(=O)[C@]1(c2ccccc2)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000411968501 558997097 /nfs/dbraw/zinc/99/70/97/558997097.db2.gz OKDMMTREONYCCF-GOSISDBHSA-N -1 1 354.435 2.026 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3C[C@@H](O)C3)ccc2C)c1 ZINC000412402073 559033358 /nfs/dbraw/zinc/03/33/58/559033358.db2.gz IWBCAVBYFANZQB-CALCHBBNSA-N -1 1 374.462 2.357 20 0 FEADMM c1ccc(CN=c2[n-]nc(SCCN3CCCOCC3)s2)cc1 ZINC000412978155 559068597 /nfs/dbraw/zinc/06/85/97/559068597.db2.gz MSXBKHUPVOVKEY-UHFFFAOYSA-N -1 1 350.513 2.965 20 0 FEADMM COc1ccc(Cn2cc([N-]S(=O)(=O)CC(C)(C)OC)cn2)cc1 ZINC000414383667 559160127 /nfs/dbraw/zinc/16/01/27/559160127.db2.gz NRDZGSKMGBYSFJ-UHFFFAOYSA-N -1 1 353.444 2.107 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)c1 ZINC000414474078 559167356 /nfs/dbraw/zinc/16/73/56/559167356.db2.gz CMEZXMQITXZHRY-LBPRGKRZSA-N -1 1 369.361 2.347 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccccc2OC(F)F)C1=O ZINC000414656715 559177575 /nfs/dbraw/zinc/17/75/75/559177575.db2.gz LAFHMILXRDQEGP-OCCSQVGLSA-N -1 1 356.369 2.088 20 0 FEADMM CCOc1ccc(CN[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000414655952 559177661 /nfs/dbraw/zinc/17/76/61/559177661.db2.gz KDQFPRXNMYEYEX-ZBFHGGJFSA-N -1 1 352.406 2.024 20 0 FEADMM C[C@H]1CN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCN1 ZINC000415635177 559257167 /nfs/dbraw/zinc/25/71/67/559257167.db2.gz UBTFEAGDYSXWGB-QMMMGPOBSA-N -1 1 355.826 2.823 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1nc2ccccc2[nH]1 ZINC000416133751 559293551 /nfs/dbraw/zinc/29/35/51/559293551.db2.gz MKXFWOGBQZZKNL-JOYOIKCWSA-N -1 1 371.397 2.290 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000416163097 559295563 /nfs/dbraw/zinc/29/55/63/559295563.db2.gz SHJBWNSHDPAQDN-ZDUSSCGKSA-N -1 1 363.389 2.375 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)Cc2ccc(C)cc2)co1 ZINC000416281077 559302233 /nfs/dbraw/zinc/30/22/33/559302233.db2.gz DUPREHABBOBQFK-UHFFFAOYSA-N -1 1 350.440 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/nfs/dbraw/zinc/49/96/02/559499602.db2.gz ZDOUCCUJILFNQX-MRXNPFEDSA-N -1 1 353.419 2.490 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)OC)c(F)c1)C(F)(F)F ZINC000420731625 559501133 /nfs/dbraw/zinc/50/11/33/559501133.db2.gz SRMRNNVMOSXILD-NSHDSACASA-N -1 1 357.325 2.160 20 0 FEADMM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCOCC1 ZINC000420768253 559503334 /nfs/dbraw/zinc/50/33/34/559503334.db2.gz WGGAYHZGOORLRT-SNVBAGLBSA-N -1 1 351.827 2.342 20 0 FEADMM COc1ccc2c(c1)C[C@@H](C(C)C)CN2S(=O)(=O)c1c(C)o[n-]c1=N ZINC000420770855 559503407 /nfs/dbraw/zinc/50/34/07/559503407.db2.gz QZVAENXIOXHKHA-CYBMUJFWSA-N -1 1 365.455 2.597 20 0 FEADMM COc1ccc2c(c1)C[C@H](C(C)C)CN2S(=O)(=O)c1c(C)o[n-]c1=N ZINC000420770859 559503510 /nfs/dbraw/zinc/50/35/10/559503510.db2.gz QZVAENXIOXHKHA-ZDUSSCGKSA-N -1 1 365.455 2.597 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)C[C@H](CC)OC)c1 ZINC000421165750 559528036 /nfs/dbraw/zinc/52/80/36/559528036.db2.gz NMWWGKFWQUHYRY-HNNXBMFYSA-N -1 1 359.444 2.176 20 0 FEADMM 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CCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)n1 ZINC000428698920 559781394 /nfs/dbraw/zinc/78/13/94/559781394.db2.gz IABCCVRJWZLVPZ-UHFFFAOYSA-N -1 1 360.439 2.177 20 0 FEADMM CCn1cc(-c2nn(C)cc2C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cn1 ZINC000429016416 559788536 /nfs/dbraw/zinc/78/85/36/559788536.db2.gz BVRPHRUAWCRUFM-UHFFFAOYSA-N -1 1 367.438 3.007 20 0 FEADMM CN1C[C@@H](C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c2ccccc2C1=O ZINC000429103896 559790806 /nfs/dbraw/zinc/79/08/06/559790806.db2.gz CZBOWGJZJNMAFD-CYBMUJFWSA-N -1 1 352.419 2.946 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N=c2cc(OC(F)F)n(C)[nH]2)N(C)C)cc1 ZINC000429656439 559803244 /nfs/dbraw/zinc/80/32/44/559803244.db2.gz CRDVLXHOSGGDOS-ZDUSSCGKSA-N -1 1 367.400 2.754 20 0 FEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432190866 559853915 /nfs/dbraw/zinc/85/39/15/559853915.db2.gz GIBSBQQSXZQYJB-UHFFFAOYSA-N -1 1 372.402 2.424 20 0 FEADMM Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433505738 559883227 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C[C@@]1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCC(=O)NC1 ZINC000436774843 559951715 /nfs/dbraw/zinc/95/17/15/559951715.db2.gz NVONTSHWMWWTET-HXUWFJFHSA-N -1 1 373.453 2.310 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2[O-])nc1 ZINC000436789389 559952069 /nfs/dbraw/zinc/95/20/69/559952069.db2.gz CAYAGXUAPXKIOO-UHFFFAOYSA-N -1 1 365.183 2.266 20 0 FEADMM COCCN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCO[C@@H]1C ZINC000436821825 559952962 /nfs/dbraw/zinc/95/29/62/559952962.db2.gz MKDFXJTZCAFWOZ-MFKMUULPSA-N -1 1 358.232 2.421 20 0 FEADMM Cc1nnc(N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000436816595 559952996 /nfs/dbraw/zinc/95/29/96/559952996.db2.gz SQIIXHNWDRWUCC-UHFFFAOYSA-N -1 1 373.394 2.377 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)c2cc(Br)ccc2[O-])n1C ZINC000436849538 559954131 /nfs/dbraw/zinc/95/41/31/559954131.db2.gz ZXUMZPANEXVEPU-UHFFFAOYSA-N -1 1 368.187 2.317 20 0 FEADMM CC[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)N1CCCC1=O ZINC000436909368 559955922 /nfs/dbraw/zinc/95/59/22/559955922.db2.gz AGKOOVWTLVZODC-NSHDSACASA-N -1 1 363.805 2.170 20 0 FEADMM CC[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)N1CCCC1=O ZINC000436909368 559955923 /nfs/dbraw/zinc/95/59/23/559955923.db2.gz AGKOOVWTLVZODC-NSHDSACASA-N -1 1 363.805 2.170 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)ccc1O ZINC000436908284 559956045 /nfs/dbraw/zinc/95/60/45/559956045.db2.gz VKBKGUFKVFUGHB-UHFFFAOYSA-N -1 1 365.411 2.360 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1CCc2c[nH]nc2C1 ZINC000436916176 559956279 /nfs/dbraw/zinc/95/62/79/559956279.db2.gz SBXDAUXQEVOWHB-SECBINFHSA-N -1 1 358.789 2.297 20 0 FEADMM Cc1nn(C)c(C)c1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436913663 559956332 /nfs/dbraw/zinc/95/63/32/559956332.db2.gz JJFKGBNJQPHBSS-UHFFFAOYSA-N -1 1 360.805 2.362 20 0 FEADMM Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436913663 559956333 /nfs/dbraw/zinc/95/63/33/559956333.db2.gz JJFKGBNJQPHBSS-UHFFFAOYSA-N -1 1 360.805 2.362 20 0 FEADMM CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc(Br)ccc2[O-])C1(C)C ZINC000436994619 559959014 /nfs/dbraw/zinc/95/90/14/559959014.db2.gz NUNJIXIQPROOFV-CZUORRHYSA-N -1 1 372.259 2.451 20 0 FEADMM COC(=O)[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)Cc1cccc(C)c1 ZINC000436993437 559959050 /nfs/dbraw/zinc/95/90/50/559959050.db2.gz CBVVBVNEAVOZFD-MRXNPFEDSA-N -1 1 355.390 2.031 20 0 FEADMM CC(C)N(C)c1ccccc1CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000438460222 559979478 /nfs/dbraw/zinc/97/94/78/559979478.db2.gz ACQPDZZMQASRHO-UHFFFAOYSA-N -1 1 353.426 2.449 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)CCn3c(C)cc(O)cc3=O)[nH][n-]2)c1 ZINC000438740461 559982901 /nfs/dbraw/zinc/98/29/01/559982901.db2.gz XGGWDJWCDYQJLQ-UHFFFAOYSA-N -1 1 370.384 2.729 20 0 FEADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1 ZINC000438728910 559982950 /nfs/dbraw/zinc/98/29/50/559982950.db2.gz VHNPVPDRFPGKQF-UHFFFAOYSA-N -1 1 373.438 2.214 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000439994850 560002826 /nfs/dbraw/zinc/00/28/26/560002826.db2.gz AFVVMAGHFIPHLO-HUUCEWRRSA-N -1 1 356.426 2.025 20 0 FEADMM COc1ccc(-c2cc3[n-]c(CN(C)CCCO)nc(=O)c3s2)cc1 ZINC000440943903 560020067 /nfs/dbraw/zinc/02/00/67/560020067.db2.gz JTHVIUZSCNOHMO-UHFFFAOYSA-N -1 1 359.451 2.474 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000442766401 560056720 /nfs/dbraw/zinc/05/67/20/560056720.db2.gz JQZNEBSCXANDMR-CBAPKCEASA-N -1 1 366.283 2.081 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(F)c1 ZINC000442835233 560059081 /nfs/dbraw/zinc/05/90/81/560059081.db2.gz YCFLFRUDUOMNAX-UHFFFAOYSA-N -1 1 363.292 2.139 20 0 FEADMM Cn1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc(Cl)c1=O ZINC000442838411 560059226 /nfs/dbraw/zinc/05/92/26/560059226.db2.gz LISYDBYABDJRSG-UHFFFAOYSA-N -1 1 367.736 2.253 20 0 FEADMM COc1cc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)ccc1O ZINC000442849171 560059619 /nfs/dbraw/zinc/05/96/19/560059619.db2.gz BJIPRGYEXOVTRR-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM COc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc(Cl)c1[O-] ZINC000442949871 560063391 /nfs/dbraw/zinc/06/33/91/560063391.db2.gz JEXWWAJRUHBQBV-UHFFFAOYSA-N -1 1 370.814 2.095 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cc(C)cc(C)c1 ZINC000443062072 560068635 /nfs/dbraw/zinc/06/86/35/560068635.db2.gz AEWOIOAUZNTIDU-GFCCVEGCSA-N -1 1 351.428 2.243 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000443100610 560070645 /nfs/dbraw/zinc/07/06/45/560070645.db2.gz AYBRIDFXBKZTGG-STQMWFEESA-N -1 1 372.462 2.154 20 0 FEADMM COc1cc(C(=O)N(C)Cc2cnc(N(C)C)nc2)cc(Cl)c1[O-] ZINC000443138260 560072239 /nfs/dbraw/zinc/07/22/39/560072239.db2.gz ZTADGLOZJVCROQ-UHFFFAOYSA-N -1 1 350.806 2.182 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(F)(F)F ZINC000443220051 560075102 /nfs/dbraw/zinc/07/51/02/560075102.db2.gz WPPKKUUXZXXAML-VIFPVBQESA-N -1 1 369.756 2.139 20 0 FEADMM COc1cccc(C(=O)c2ccc(C(=O)NC(C)(C)c3nn[n-]n3)cc2)c1 ZINC000444078184 560100871 /nfs/dbraw/zinc/10/08/71/560100871.db2.gz CYQVXLQWKTYFIP-UHFFFAOYSA-N -1 1 365.393 2.104 20 0 FEADMM Cc1cc(=NC(=O)c2cnc3ccc(Br)cc3c2[O-])[nH]n1C ZINC000444341886 560110337 /nfs/dbraw/zinc/11/03/37/560110337.db2.gz SQPGLKYGMYJMTK-UHFFFAOYSA-N -1 1 361.199 2.585 20 0 FEADMM Cn1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1=O ZINC000444379767 560112618 /nfs/dbraw/zinc/11/26/18/560112618.db2.gz MOYGFPIKBHWCIM-UHFFFAOYSA-N -1 1 369.421 2.406 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C[C@H](OCC)C(C)C)CC2)n1 ZINC000444762765 560120000 /nfs/dbraw/zinc/12/00/00/560120000.db2.gz SEXWBBZZINDYTG-AWEZNQCLSA-N -1 1 366.462 2.139 20 0 FEADMM COCCn1cc(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)c(C)n1 ZINC000444813210 560121633 /nfs/dbraw/zinc/12/16/33/560121633.db2.gz MWMKYLAWXHCOOG-UHFFFAOYSA-N -1 1 357.389 2.928 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Cl)C(=O)N1CCCC1 ZINC000528561994 562336508 /nfs/dbraw/zinc/33/65/08/562336508.db2.gz WBVPLLYAHLDWCZ-UHFFFAOYSA-N -1 1 350.893 2.328 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000447340388 560160584 /nfs/dbraw/zinc/16/05/84/560160584.db2.gz KQNOOVGLAWEGPC-UHFFFAOYSA-N -1 1 362.816 2.393 20 0 FEADMM Cc1cc(F)cc(-n2cc(C(=O)Nc3nc(-c4ccco4)n[nH]3)nn2)c1 ZINC000447482199 560163071 /nfs/dbraw/zinc/16/30/71/560163071.db2.gz QMPNLWGSXBFXHV-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC[C@@H]3CCOC3)c2)n1 ZINC000447677869 560166622 /nfs/dbraw/zinc/16/66/22/560166622.db2.gz HTIRUNFGVGEIQI-CYBMUJFWSA-N -1 1 372.425 2.081 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CCCOCC3)c2)n1 ZINC000447687370 560167273 /nfs/dbraw/zinc/16/72/73/560167273.db2.gz IKVBZLOXDXPBFP-AWEZNQCLSA-N -1 1 372.425 2.081 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H]2N(C)CCCC2(C)C)cc(C(=O)[O-])c1C ZINC000448172343 560179758 /nfs/dbraw/zinc/17/97/58/560179758.db2.gz BJIPVHPQKRYLPN-INIZCTEOSA-N -1 1 368.499 2.400 20 0 FEADMM O=C(NCCCCCO)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000448507444 560188523 /nfs/dbraw/zinc/18/85/23/560188523.db2.gz HSHMNOZNUBCVIQ-GOSISDBHSA-N -1 1 370.449 2.429 20 0 FEADMM CC(C)(NC(=O)CCc1cccc(F)c1Br)c1nn[n-]n1 ZINC000450003190 560247912 /nfs/dbraw/zinc/24/79/12/560247912.db2.gz GOENBMUEDXVYCZ-UHFFFAOYSA-N -1 1 356.199 2.085 20 0 FEADMM CCc1nc([C@H](C)NC(=O)c2cc(Br)c(F)cc2[O-])n[nH]1 ZINC000450303336 560257656 /nfs/dbraw/zinc/25/76/56/560257656.db2.gz YFCWJYJFAPARHQ-LURJTMIESA-N -1 1 357.183 2.465 20 0 FEADMM COc1cccc(Oc2ccc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)nc2)c1 ZINC000450840231 560275280 /nfs/dbraw/zinc/27/52/80/560275280.db2.gz IMPAHFBEORAYJP-LBPRGKRZSA-N -1 1 368.397 2.271 20 0 FEADMM CC(C)C[C@H](C[N-]S(=O)(=O)c1sccc1Cl)N1CCOCC1 ZINC000451015823 560282544 /nfs/dbraw/zinc/28/25/44/560282544.db2.gz KYOQZZIMTSHGMV-GFCCVEGCSA-N -1 1 366.936 2.427 20 0 FEADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)OC ZINC000451030418 560283550 /nfs/dbraw/zinc/28/35/50/560283550.db2.gz UCLNTULCUSUWOF-NOZJJQNGSA-N -1 1 351.827 2.486 20 0 FEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c1 ZINC000451080152 560286032 /nfs/dbraw/zinc/28/60/32/560286032.db2.gz JVPMMWFIKDZZTG-UHFFFAOYSA-N -1 1 366.464 2.014 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1OC ZINC000451106824 560287544 /nfs/dbraw/zinc/28/75/44/560287544.db2.gz MEYHHYLOPPUDEF-UHFFFAOYSA-N -1 1 369.464 2.462 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C(C)C)c(F)c1 ZINC000451149512 560290029 /nfs/dbraw/zinc/29/00/29/560290029.db2.gz PVQPXVVHFXUOEO-UHFFFAOYSA-N -1 1 366.480 2.396 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451205177 560292911 /nfs/dbraw/zinc/29/29/11/560292911.db2.gz XCZSGJYAHHIKLW-FZMZJTMJSA-N -1 1 368.430 2.497 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)CCSCC1 ZINC000451351506 560301994 /nfs/dbraw/zinc/30/19/94/560301994.db2.gz JIYMPGZCAPFDCJ-LLVKDONJSA-N -1 1 371.471 2.170 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)OC ZINC000451578854 560315876 /nfs/dbraw/zinc/31/58/76/560315876.db2.gz ISLSLLIRTRHRKY-SECBINFHSA-N -1 1 363.844 2.021 20 0 FEADMM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Br)o1 ZINC000451854265 560332517 /nfs/dbraw/zinc/33/25/17/560332517.db2.gz MZQQLBYDORIYJH-GXFFZTMASA-N -1 1 364.261 2.118 20 0 FEADMM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)o1 ZINC000451962957 560340996 /nfs/dbraw/zinc/34/09/96/560340996.db2.gz XRTJJFQLOYPTKG-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)NC ZINC000452089078 560350589 /nfs/dbraw/zinc/35/05/89/560350589.db2.gz QXRNTSCMWIMTQW-VIFPVBQESA-N -1 1 358.769 2.162 20 0 FEADMM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)CNC(=O)c1ncccc1[O-] ZINC000452234262 560355982 /nfs/dbraw/zinc/35/59/82/560355982.db2.gz XDYQDMUEKHUARV-HBNTYKKESA-N -1 1 359.348 2.095 20 0 FEADMM CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC12COC2 ZINC000452266354 560356899 /nfs/dbraw/zinc/35/68/99/560356899.db2.gz SEBHIADSLOYQLU-LBPRGKRZSA-N -1 1 373.327 2.063 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(C)cc3C)CC2)o1 ZINC000452298613 560357567 /nfs/dbraw/zinc/35/75/67/560357567.db2.gz PYPQNZBXYLEZBH-UHFFFAOYSA-N -1 1 362.451 2.266 20 0 FEADMM O=C(NCc1n[nH]c(C2CC2)n1)c1cc(F)cc(Br)c1[O-] ZINC000452422522 560364445 /nfs/dbraw/zinc/36/44/45/560364445.db2.gz UVDCXVDYDMRIRW-UHFFFAOYSA-N -1 1 355.167 2.219 20 0 FEADMM CO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1(C)C ZINC000452848062 560376115 /nfs/dbraw/zinc/37/61/15/560376115.db2.gz MZWNMNFJYSGISE-CYBMUJFWSA-N -1 1 372.487 2.244 20 0 FEADMM CCO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H]1C ZINC000452952554 560379110 /nfs/dbraw/zinc/37/91/10/560379110.db2.gz ZEDWCOBKYOXSGQ-OLZOCXBDSA-N -1 1 372.487 2.244 20 0 FEADMM O=S(=O)(Cc1ccn(CCc2ccccc2)n1)c1n[n-]c(C2CC2)n1 ZINC000453011643 560381077 /nfs/dbraw/zinc/38/10/77/560381077.db2.gz CFFPARZCQOMXQV-UHFFFAOYSA-N -1 1 357.439 2.095 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N=c1nc2n([n-]1)CCCC2)c1ccsc1 ZINC000455983852 560503309 /nfs/dbraw/zinc/50/33/09/560503309.db2.gz PXIMEUMPELUDKG-AWEZNQCLSA-N -1 1 362.503 2.881 20 0 FEADMM O=C(C[C@@H]1CCC(=O)NC1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000456025238 560504912 /nfs/dbraw/zinc/50/49/12/560504912.db2.gz PIICZGBDRPUXEP-ZDUSSCGKSA-N -1 1 373.453 2.310 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc(Cl)c1[O-] ZINC000456193350 560510383 /nfs/dbraw/zinc/51/03/83/560510383.db2.gz OGMNXSXZBNBIJU-NSHDSACASA-N -1 1 361.847 2.094 20 0 FEADMM CC(C)(c1ccc(F)cc1)C1(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000456773773 560532440 /nfs/dbraw/zinc/53/24/40/560532440.db2.gz NFSPSXWKDWNPAN-UHFFFAOYSA-N -1 1 371.412 2.283 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCOCC1CCCC1 ZINC000457141898 560552724 /nfs/dbraw/zinc/55/27/24/560552724.db2.gz YHNTXTWMJOQZOH-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM [O-]c1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000459344127 560681126 /nfs/dbraw/zinc/68/11/26/560681126.db2.gz RFBMNDRZVSEATE-CYBMUJFWSA-N -1 1 355.276 2.309 20 0 FEADMM COc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000460183259 560737118 /nfs/dbraw/zinc/73/71/18/560737118.db2.gz JMXJUZIZNHWBIE-UHFFFAOYSA-N -1 1 369.826 2.388 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3c[nH]cn3)c2)cc1 ZINC000461462703 560772501 /nfs/dbraw/zinc/77/25/01/560772501.db2.gz BKFIJMJJVZGFOZ-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000461463672 560772632 /nfs/dbraw/zinc/77/26/32/560772632.db2.gz KZKQWZLSVLFOEE-UHFFFAOYSA-N -1 1 364.423 2.178 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccccc2C)c1 ZINC000461463053 560772756 /nfs/dbraw/zinc/77/27/56/560772756.db2.gz HXUBSECDCADBMI-UHFFFAOYSA-N -1 1 366.464 2.340 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000461467051 560772969 /nfs/dbraw/zinc/77/29/69/560772969.db2.gz XETNSEBCTVGPEN-UONOGXRCSA-N -1 1 352.456 2.455 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000461465705 560773056 /nfs/dbraw/zinc/77/30/56/560773056.db2.gz PQZGYOYYXVONKR-LLVKDONJSA-N -1 1 366.414 2.257 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000461466028 560773106 /nfs/dbraw/zinc/77/31/06/560773106.db2.gz UEVAHSZGTXGWJF-VIFPVBQESA-N -1 1 370.377 2.321 20 0 FEADMM Cc1cccc(CN(C)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000461466444 560773183 /nfs/dbraw/zinc/77/31/83/560773183.db2.gz UOCQJCWZFLHBFV-UHFFFAOYSA-N -1 1 363.421 2.457 20 0 FEADMM Cc1cc(C(=O)[N-]c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)no1 ZINC000461468544 560773342 /nfs/dbraw/zinc/77/33/42/560773342.db2.gz BYRJTQYBKAAJDX-UHFFFAOYSA-N -1 1 373.793 2.469 20 0 FEADMM CN(C(=O)c1cccc(C(=O)NC(C)(C)c2nn[n-]n2)c1)c1ccccc1 ZINC000461638313 560778338 /nfs/dbraw/zinc/77/83/38/560778338.db2.gz YKIISTYGICVVLR-UHFFFAOYSA-N -1 1 364.409 2.141 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)CN1c1ccccc1F ZINC000462296456 560804676 /nfs/dbraw/zinc/80/46/76/560804676.db2.gz OHJGYUDDQXUNMW-SNVBAGLBSA-N -1 1 370.352 2.188 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000467331766 560908722 /nfs/dbraw/zinc/90/87/22/560908722.db2.gz VUXWBABJJFNESU-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM CCC[C@H](NC(=O)CCC(=O)N1CCSc2ccccc21)c1nn[n-]n1 ZINC000467644891 560914401 /nfs/dbraw/zinc/91/44/01/560914401.db2.gz DFQVOXPIEGHBCK-LBPRGKRZSA-N -1 1 374.470 2.076 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)cc2F)o1 ZINC000467764712 560916761 /nfs/dbraw/zinc/91/67/61/560916761.db2.gz BSOWFZVBQJWTBF-UHFFFAOYSA-N -1 1 357.359 2.083 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000467952563 560920084 /nfs/dbraw/zinc/92/00/84/560920084.db2.gz DYEIGNBXPBKWQH-UHFFFAOYSA-N -1 1 362.407 2.328 20 0 FEADMM C[C@H](O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000468565496 560933063 /nfs/dbraw/zinc/93/30/63/560933063.db2.gz OEBPUKSJAIHBFH-VIFPVBQESA-N -1 1 356.350 2.085 20 0 FEADMM Cc1nc2cc(C(=O)NC3(c4nn[n-]n4)CC3)ccc2n1-c1ccccc1 ZINC000470977292 560995793 /nfs/dbraw/zinc/99/57/93/560995793.db2.gz UQQAWFDHKHFETK-UHFFFAOYSA-N -1 1 359.393 2.266 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000470987505 560995950 /nfs/dbraw/zinc/99/59/50/560995950.db2.gz UTEMOQXIAIMYEP-UHFFFAOYSA-N -1 1 371.832 2.004 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1F ZINC000471592412 561008073 /nfs/dbraw/zinc/00/80/73/561008073.db2.gz FABUHQVFVLNUGY-SECBINFHSA-N -1 1 366.370 2.355 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)ccc1F ZINC000471594463 561008281 /nfs/dbraw/zinc/00/82/81/561008281.db2.gz POIAUNAUTQVLEO-UHFFFAOYSA-N -1 1 352.387 2.337 20 0 FEADMM Cc1ccc([C@H]2CCN(C(=O)CNC(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000473525489 561051955 /nfs/dbraw/zinc/05/19/55/561051955.db2.gz PIZSUKPOGDMOPP-HNNXBMFYSA-N -1 1 353.422 2.150 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1ccc(Cl)c(F)c1Cl ZINC000473854173 561059311 /nfs/dbraw/zinc/05/93/11/561059311.db2.gz OBJFWJXAFFQWOZ-SECBINFHSA-N -1 1 372.245 2.198 20 0 FEADMM COCCOCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473913831 561060668 /nfs/dbraw/zinc/06/06/68/561060668.db2.gz XGUGIZQBIVEBJV-UHFFFAOYSA-N -1 1 360.234 2.464 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000474300990 561070566 /nfs/dbraw/zinc/07/05/66/561070566.db2.gz BEKNLQNIKHTFDM-UHFFFAOYSA-N -1 1 360.439 2.143 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000474305397 561070710 /nfs/dbraw/zinc/07/07/10/561070710.db2.gz AWBBJFFTLDIJOV-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000474798526 561083071 /nfs/dbraw/zinc/08/30/71/561083071.db2.gz LREXMLWHLORGTH-UHFFFAOYSA-N -1 1 367.471 2.406 20 0 FEADMM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000476207446 561113176 /nfs/dbraw/zinc/11/31/76/561113176.db2.gz TZDUWKIERMYPAP-UHFFFAOYSA-N -1 1 367.452 2.009 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000476447903 561119669 /nfs/dbraw/zinc/11/96/69/561119669.db2.gz PMEUWFOOSIAAKK-UHFFFAOYSA-N -1 1 368.842 2.477 20 0 FEADMM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000476602811 561124108 /nfs/dbraw/zinc/12/41/08/561124108.db2.gz VCQCTNXNIAVACR-UHFFFAOYSA-N -1 1 358.379 2.012 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1C(=O)N(C)C ZINC000477169188 561138309 /nfs/dbraw/zinc/13/83/09/561138309.db2.gz YVNZNSHXFOCBLD-UHFFFAOYSA-N -1 1 362.407 2.226 20 0 FEADMM COCCc1noc(CC2CCN(Cc3cc(C(=O)[O-])oc3C)CC2)n1 ZINC000530163774 562400844 /nfs/dbraw/zinc/40/08/44/562400844.db2.gz GODQWWWLVZQFCR-UHFFFAOYSA-N -1 1 363.414 2.313 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(Cn3ccnc3)cc2)sc1C ZINC000530586554 562416952 /nfs/dbraw/zinc/41/69/52/562416952.db2.gz IMVVILJFMCJLHD-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCOCC1 ZINC000530585597 562416955 /nfs/dbraw/zinc/41/69/55/562416955.db2.gz JNZAKZDJLKAEQU-QGZVFWFLSA-N -1 1 370.453 2.004 20 0 FEADMM Cc1[nH]c(=O)c(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1-c1ccccc1 ZINC000531171982 562437037 /nfs/dbraw/zinc/43/70/37/562437037.db2.gz IPDBUDKOWJLWQW-UHFFFAOYSA-N -1 1 364.409 2.475 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000531524891 562448693 /nfs/dbraw/zinc/44/86/93/562448693.db2.gz WYWGLBJTYXYGQB-UHFFFAOYSA-N -1 1 361.423 2.256 20 0 FEADMM O=C(CCn1cc(Br)ccc1=O)Nc1ccc(F)cc1[O-] ZINC000531755962 562455672 /nfs/dbraw/zinc/45/56/72/562455672.db2.gz VSTPKJVQWHKIOB-UHFFFAOYSA-N -1 1 355.163 2.484 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000532711921 562486235 /nfs/dbraw/zinc/48/62/35/562486235.db2.gz QNEYEEFGHUJBBR-QWHCGFSZSA-N -1 1 350.415 2.218 20 0 FEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532881989 562491652 /nfs/dbraw/zinc/49/16/52/562491652.db2.gz SUSAEPQNVQXELL-HUUCEWRRSA-N -1 1 373.453 2.327 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCn2c(nnc2C2CCCC2)C1 ZINC000533198056 562501279 /nfs/dbraw/zinc/50/12/79/562501279.db2.gz MFVRVNPQRZZTJS-UHFFFAOYSA-N -1 1 374.470 2.118 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1ccc(Br)s1 ZINC000533802241 562518455 /nfs/dbraw/zinc/51/84/55/562518455.db2.gz OPWNAGGJQRHSJJ-RXMQYKEDSA-N -1 1 368.196 2.102 20 0 FEADMM COc1ccccc1C(=O)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000534211043 562527658 /nfs/dbraw/zinc/52/76/58/562527658.db2.gz AFJCYJLCFLXBDZ-UHFFFAOYSA-N -1 1 357.410 2.409 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000534317843 562531433 /nfs/dbraw/zinc/53/14/33/562531433.db2.gz PBHANFIQKCKANV-UHFFFAOYSA-N -1 1 354.359 2.299 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)s1 ZINC000534394883 562533231 /nfs/dbraw/zinc/53/32/31/562533231.db2.gz KNERIZZQVZCKAL-VIFPVBQESA-N -1 1 368.440 2.204 20 0 FEADMM COc1ccc(NC(=O)c2cc(C)n(C(F)F)n2)cc1[N-]S(C)(=O)=O ZINC000534871609 562544277 /nfs/dbraw/zinc/54/42/77/562544277.db2.gz HCHPBWIPVZMUCJ-UHFFFAOYSA-N -1 1 374.369 2.219 20 0 FEADMM CC(C)CSCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000535194241 562553010 /nfs/dbraw/zinc/55/30/10/562553010.db2.gz CGBOMCDZQNOCPD-UHFFFAOYSA-N -1 1 362.517 2.475 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1CC ZINC000536990880 562583670 /nfs/dbraw/zinc/58/36/70/562583670.db2.gz RZSXLCACLRKADS-UHFFFAOYSA-N -1 1 373.434 2.142 20 0 FEADMM CC(=O)NCCc1ccc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000540715909 562591731 /nfs/dbraw/zinc/59/17/31/562591731.db2.gz UDNWJJIXEINXHK-UHFFFAOYSA-N -1 1 359.451 2.453 20 0 FEADMM Cc1ccc(-c2csc(NC(=O)c3cc(=O)n4[n-]cnc4n3)n2)cc1 ZINC000541840919 562621289 /nfs/dbraw/zinc/62/12/89/562621289.db2.gz WZWYIBBCILEHNF-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000541892941 562622318 /nfs/dbraw/zinc/62/23/18/562622318.db2.gz BXXVVKYJJFKBOU-BBRMVZONSA-N -1 1 370.453 2.417 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1 ZINC000541896138 562622540 /nfs/dbraw/zinc/62/25/40/562622540.db2.gz FDPWMKIXSKBRHF-UHFFFAOYSA-N -1 1 363.391 2.240 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c1F ZINC000556349990 674398337 /nfs/dbraw/zinc/39/83/37/674398337.db2.gz QWBCZZPWCOCTFL-UHFFFAOYSA-N -1 1 352.362 2.360 20 0 FEADMM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3cccc(F)c3F)ccc21 ZINC000556351810 674398375 /nfs/dbraw/zinc/39/83/75/674398375.db2.gz GOTCJZDJOROKOL-UHFFFAOYSA-N -1 1 356.325 2.191 20 0 FEADMM O=S(=O)([N-]Cc1n[nH]cc1Br)c1cc(Cl)ccc1F ZINC000556360181 674398774 /nfs/dbraw/zinc/39/87/74/674398774.db2.gz KVFROKVOAUQBTN-UHFFFAOYSA-N -1 1 368.615 2.443 20 0 FEADMM CCOC(=O)[C@@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCOC1 ZINC000601872566 567861808 /nfs/dbraw/zinc/86/18/08/567861808.db2.gz SPYBKNMKEKHGJZ-QGZVFWFLSA-N -1 1 355.818 2.064 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@]2(C)CCc3ccccc3C2)n[n-]1 ZINC000603156171 568068636 /nfs/dbraw/zinc/06/86/36/568068636.db2.gz QWTPVKGNQCHQRV-BUXKBTBVSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@]2(C)CCc3ccccc3C2)[n-]1 ZINC000603156171 568068637 /nfs/dbraw/zinc/06/86/37/568068637.db2.gz QWTPVKGNQCHQRV-BUXKBTBVSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@]2(C)CCc3ccccc3C2)n1 ZINC000603156171 568068638 /nfs/dbraw/zinc/06/86/38/568068638.db2.gz QWTPVKGNQCHQRV-BUXKBTBVSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)n[n-]1 ZINC000603161813 568069481 /nfs/dbraw/zinc/06/94/81/568069481.db2.gz GSPCHVOOLKNCSY-XXILOJSOSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)[n-]1 ZINC000603161813 568069482 /nfs/dbraw/zinc/06/94/82/568069482.db2.gz GSPCHVOOLKNCSY-XXILOJSOSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)n1 ZINC000603161813 568069483 /nfs/dbraw/zinc/06/94/83/568069483.db2.gz GSPCHVOOLKNCSY-XXILOJSOSA-N -1 1 364.352 2.241 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C)CCC1)c1ccc(OC)cc1OC ZINC000603307300 568084386 /nfs/dbraw/zinc/08/43/86/568084386.db2.gz BTFXIVWUSJSRKI-HNNXBMFYSA-N -1 1 371.455 2.028 20 0 FEADMM COC(=O)c1cc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])oc1C ZINC000603873895 568174527 /nfs/dbraw/zinc/17/45/27/568174527.db2.gz ONXSVQLJMBRALQ-UHFFFAOYSA-N -1 1 355.350 2.262 20 0 FEADMM COC(=O)c1cc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)oc1C ZINC000603873895 568174528 /nfs/dbraw/zinc/17/45/28/568174528.db2.gz ONXSVQLJMBRALQ-UHFFFAOYSA-N -1 1 355.350 2.262 20 0 FEADMM CN(Cc1cn[nH]c1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000603916221 568183944 /nfs/dbraw/zinc/18/39/44/568183944.db2.gz HPDHWFIGDKIEII-UHFFFAOYSA-N -1 1 370.434 2.483 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)c1 ZINC000604303823 568245662 /nfs/dbraw/zinc/24/56/62/568245662.db2.gz YSMRZOBJYGXOSC-UHFFFAOYSA-N -1 1 364.423 2.206 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ccn[nH]1 ZINC000738112786 598834856 /nfs/dbraw/zinc/83/48/56/598834856.db2.gz SKBDRQLEKCDAPS-UHFFFAOYSA-N -1 1 351.395 2.248 20 0 FEADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000737344351 598841370 /nfs/dbraw/zinc/84/13/70/598841370.db2.gz FDWJDCQSZNRFDG-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC000736286228 598842936 /nfs/dbraw/zinc/84/29/36/598842936.db2.gz AQDJEFNRZZGTAK-JTQLQIEISA-N -1 1 359.386 2.318 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC000736286228 598842938 /nfs/dbraw/zinc/84/29/38/598842938.db2.gz AQDJEFNRZZGTAK-JTQLQIEISA-N -1 1 359.386 2.318 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736613099 598945505 /nfs/dbraw/zinc/94/55/05/598945505.db2.gz CUOZYFMDAZYXSP-HUUCEWRRSA-N -1 1 356.430 2.072 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736613099 598945506 /nfs/dbraw/zinc/94/55/06/598945506.db2.gz CUOZYFMDAZYXSP-HUUCEWRRSA-N -1 1 356.430 2.072 20 0 FEADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000735498852 598946680 /nfs/dbraw/zinc/94/66/80/598946680.db2.gz LDPZXMUOAVQURS-UHFFFAOYSA-N -1 1 357.395 2.179 20 0 FEADMM CN(Cc1ccc(Cl)nc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736816959 598958776 /nfs/dbraw/zinc/95/87/76/598958776.db2.gz RDJYOUSVMGQLKB-UHFFFAOYSA-N -1 1 352.789 2.495 20 0 FEADMM CN(Cc1ccc(Cl)nc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736816959 598958777 /nfs/dbraw/zinc/95/87/77/598958777.db2.gz RDJYOUSVMGQLKB-UHFFFAOYSA-N -1 1 352.789 2.495 20 0 FEADMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738035474 598985475 /nfs/dbraw/zinc/98/54/75/598985475.db2.gz LIFNUNFKJLPVMN-GFCCVEGCSA-N -1 1 356.386 2.368 20 0 FEADMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738035474 598985476 /nfs/dbraw/zinc/98/54/76/598985476.db2.gz LIFNUNFKJLPVMN-GFCCVEGCSA-N -1 1 356.386 2.368 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000738259700 598988813 /nfs/dbraw/zinc/98/88/13/598988813.db2.gz UROQUUCKDVFESK-GOSISDBHSA-N -1 1 371.404 2.309 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000738259700 598988814 /nfs/dbraw/zinc/98/88/14/598988814.db2.gz UROQUUCKDVFESK-GOSISDBHSA-N -1 1 371.404 2.309 20 0 FEADMM Cc1cccc(Cn2nccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737396271 598991233 /nfs/dbraw/zinc/99/12/33/598991233.db2.gz FCHUASCENVMDAE-UHFFFAOYSA-N -1 1 360.381 2.067 20 0 FEADMM Cc1cccc(Cn2nccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737396271 598991235 /nfs/dbraw/zinc/99/12/35/598991235.db2.gz FCHUASCENVMDAE-UHFFFAOYSA-N -1 1 360.381 2.067 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)F)c1 ZINC000736120501 598991942 /nfs/dbraw/zinc/99/19/42/598991942.db2.gz XQVBRVMSJQUNQZ-VIFPVBQESA-N -1 1 360.324 2.354 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)F)c1 ZINC000736120501 598991943 /nfs/dbraw/zinc/99/19/43/598991943.db2.gz XQVBRVMSJQUNQZ-VIFPVBQESA-N -1 1 360.324 2.354 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)F)c1 ZINC000736120499 598992063 /nfs/dbraw/zinc/99/20/63/598992063.db2.gz XQVBRVMSJQUNQZ-SECBINFHSA-N -1 1 360.324 2.354 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)F)c1 ZINC000736120499 598992065 /nfs/dbraw/zinc/99/20/65/598992065.db2.gz XQVBRVMSJQUNQZ-SECBINFHSA-N -1 1 360.324 2.354 20 0 FEADMM O=C(NCCc1csc2ccccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089684 598994737 /nfs/dbraw/zinc/99/47/37/598994737.db2.gz ZVINQYOLVZHPFH-UHFFFAOYSA-N -1 1 350.407 2.449 20 0 FEADMM O=C(NCCc1csc2ccccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089684 598994738 /nfs/dbraw/zinc/99/47/38/598994738.db2.gz ZVINQYOLVZHPFH-UHFFFAOYSA-N -1 1 350.407 2.449 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OC2CCCCC2)CC1 ZINC000738259599 599000766 /nfs/dbraw/zinc/00/07/66/599000766.db2.gz SKCJWJVAIIZNFQ-UHFFFAOYSA-N -1 1 356.430 2.216 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OC2CCCCC2)CC1 ZINC000738259599 599000768 /nfs/dbraw/zinc/00/07/68/599000768.db2.gz SKCJWJVAIIZNFQ-UHFFFAOYSA-N -1 1 356.430 2.216 20 0 FEADMM Fc1ccc(-n2ccc(CCNc3cccc(-c4nnn[n-]4)n3)n2)cc1 ZINC000822761230 599068775 /nfs/dbraw/zinc/06/87/75/599068775.db2.gz DCTJKFQPRSUWOY-UHFFFAOYSA-N -1 1 350.361 2.241 20 0 FEADMM Fc1ccc(-n2ccc(CCNc3cccc(-c4nn[n-]n4)n3)n2)cc1 ZINC000822761230 599068778 /nfs/dbraw/zinc/06/87/78/599068778.db2.gz DCTJKFQPRSUWOY-UHFFFAOYSA-N -1 1 350.361 2.241 20 0 FEADMM CNS(=O)(=O)c1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1O ZINC000807386437 674414195 /nfs/dbraw/zinc/41/41/95/674414195.db2.gz UKJYFAIQBBARQR-UHFFFAOYSA-N -1 1 374.777 2.051 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc2c(c1)CCC2 ZINC000736156939 599133871 /nfs/dbraw/zinc/13/38/71/599133871.db2.gz GIQIOKMNXBOWCP-NSHDSACASA-N -1 1 363.377 2.179 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc2c(c1)CCC2 ZINC000736156939 599133873 /nfs/dbraw/zinc/13/38/73/599133873.db2.gz GIQIOKMNXBOWCP-NSHDSACASA-N -1 1 363.377 2.179 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(Cl)cc1 ZINC000736157786 599133963 /nfs/dbraw/zinc/13/39/63/599133963.db2.gz MNSWYOXGCUOVMS-VIFPVBQESA-N -1 1 357.757 2.343 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(Cl)cc1 ZINC000736157786 599133965 /nfs/dbraw/zinc/13/39/65/599133965.db2.gz MNSWYOXGCUOVMS-VIFPVBQESA-N -1 1 357.757 2.343 20 0 FEADMM CCn1c(COC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2cc(F)ccc21 ZINC000736719960 599137010 /nfs/dbraw/zinc/13/70/10/599137010.db2.gz HCOMYOAKIDXRRN-UHFFFAOYSA-N -1 1 367.344 2.127 20 0 FEADMM CCn1c(COC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2cc(F)ccc21 ZINC000736719960 599137011 /nfs/dbraw/zinc/13/70/11/599137011.db2.gz HCOMYOAKIDXRRN-UHFFFAOYSA-N -1 1 367.344 2.127 20 0 FEADMM CCSc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736667390 599178669 /nfs/dbraw/zinc/17/86/69/599178669.db2.gz POFOIIKMXUURED-UHFFFAOYSA-N -1 1 363.424 2.141 20 0 FEADMM CCSc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736667390 599178671 /nfs/dbraw/zinc/17/86/71/599178671.db2.gz POFOIIKMXUURED-UHFFFAOYSA-N -1 1 363.424 2.141 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738258677 599198238 /nfs/dbraw/zinc/19/82/38/599198238.db2.gz KUUGRCVTOROLOA-UHFFFAOYSA-N -1 1 352.373 2.248 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738258677 599198240 /nfs/dbraw/zinc/19/82/40/599198240.db2.gz KUUGRCVTOROLOA-UHFFFAOYSA-N -1 1 352.373 2.248 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000821677109 599205419 /nfs/dbraw/zinc/20/54/19/599205419.db2.gz OXIIMYLKCBDPSY-AWEZNQCLSA-N -1 1 358.789 2.033 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000821677109 599205422 /nfs/dbraw/zinc/20/54/22/599205422.db2.gz OXIIMYLKCBDPSY-AWEZNQCLSA-N -1 1 358.789 2.033 20 0 FEADMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820020973 599215352 /nfs/dbraw/zinc/21/53/52/599215352.db2.gz NRKAIHPKUPSSOQ-MRXNPFEDSA-N -1 1 354.389 2.398 20 0 FEADMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820020973 599215353 /nfs/dbraw/zinc/21/53/53/599215353.db2.gz NRKAIHPKUPSSOQ-MRXNPFEDSA-N -1 1 354.389 2.398 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736402297 599237332 /nfs/dbraw/zinc/23/73/32/599237332.db2.gz MTZMQQYHJRTNGG-NSHDSACASA-N -1 1 353.423 2.207 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736402294 599237570 /nfs/dbraw/zinc/23/75/70/599237570.db2.gz MTZMQQYHJRTNGG-LLVKDONJSA-N -1 1 353.423 2.207 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000818374358 597061894 /nfs/dbraw/zinc/06/18/94/597061894.db2.gz LTYWSVBQHPOOHL-XJKSGUPXSA-N -1 1 351.422 2.325 20 0 FEADMM COc1ccc([C@H](NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)C2CC2)cc1 ZINC000818583045 597084784 /nfs/dbraw/zinc/08/47/84/597084784.db2.gz PDDNQPITPSKMJZ-VBKZILBWSA-N -1 1 360.454 2.449 20 0 FEADMM O=C([O-])CSCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000566210942 597096647 /nfs/dbraw/zinc/09/66/47/597096647.db2.gz GJQLPCJDNIVELW-UHFFFAOYSA-N -1 1 356.875 2.238 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)N(C)C)c1 ZINC000818620699 597116849 /nfs/dbraw/zinc/11/68/49/597116849.db2.gz PFSWWDMSKDAYGU-RHSMWYFYSA-N -1 1 363.458 2.194 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccccc3CC(=O)[O-])CC2)c1 ZINC000818635832 597323250 /nfs/dbraw/zinc/32/32/50/597323250.db2.gz WKWSUTKSWUAPKA-UHFFFAOYSA-N -1 1 370.409 2.071 20 0 FEADMM CCOCCCNC(=O)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821378439 607312354 /nfs/dbraw/zinc/31/23/54/607312354.db2.gz ODHKCXRAQCTPIF-UHFFFAOYSA-N -1 1 370.413 2.228 20 0 FEADMM CCOCCCNC(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821378439 607312355 /nfs/dbraw/zinc/31/23/55/607312355.db2.gz ODHKCXRAQCTPIF-UHFFFAOYSA-N -1 1 370.413 2.228 20 0 FEADMM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000261852125 597495239 /nfs/dbraw/zinc/49/52/39/597495239.db2.gz OUZXTVYIXQPNIJ-JTQLQIEISA-N -1 1 364.199 2.386 20 0 FEADMM O=C([O-])[C@H]1CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000062133900 597526233 /nfs/dbraw/zinc/52/62/33/597526233.db2.gz GKWFARMMBVEXES-VIFPVBQESA-N -1 1 352.188 2.406 20 0 FEADMM Nn1c(SCCCCC(=O)[O-])nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000821369298 597758242 /nfs/dbraw/zinc/75/82/42/597758242.db2.gz PEPCWLLPXODGQV-UHFFFAOYSA-N -1 1 358.427 2.396 20 0 FEADMM C[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807705840 674424688 /nfs/dbraw/zinc/42/46/88/674424688.db2.gz AQKDZLTWUOBWFX-MNXVOIDGSA-N -1 1 350.381 2.250 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H](C)O1 ZINC000736805933 598031308 /nfs/dbraw/zinc/03/13/08/598031308.db2.gz AHZZJNIPYYOYDC-VXGBXAGGSA-N -1 1 353.394 2.145 20 0 FEADMM O=C([N-]c1cnoc1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738199808 598329738 /nfs/dbraw/zinc/32/97/38/598329738.db2.gz WQCUCXUARUVBIP-UHFFFAOYSA-N -1 1 352.310 2.279 20 0 FEADMM O=C(Nc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000738160962 598341275 /nfs/dbraw/zinc/34/12/75/598341275.db2.gz XAUJKVLFZYBSSR-UHFFFAOYSA-N -1 1 362.353 2.114 20 0 FEADMM O=C(Nc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000738160962 598341277 /nfs/dbraw/zinc/34/12/77/598341277.db2.gz XAUJKVLFZYBSSR-UHFFFAOYSA-N -1 1 362.353 2.114 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2F)C[C@@H](C)O1 ZINC000736292142 598344826 /nfs/dbraw/zinc/34/48/26/598344826.db2.gz IGXKUUYSWDJDAY-GHMZBOCLSA-N -1 1 370.392 2.153 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2F)C[C@@H](C)O1 ZINC000736292142 598344828 /nfs/dbraw/zinc/34/48/28/598344828.db2.gz IGXKUUYSWDJDAY-GHMZBOCLSA-N -1 1 370.392 2.153 20 0 FEADMM O=C(Nc1cccnc1)c1ccc(Oc2nccnc2-c2nn[n-]n2)cc1 ZINC000738198236 598348997 /nfs/dbraw/zinc/34/89/97/598348997.db2.gz SFFQCHDEAFFMLG-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2ccc(F)cc2C)c(-c2nn[n-]n2)c1C ZINC000822206023 607353222 /nfs/dbraw/zinc/35/32/22/607353222.db2.gz RFOPKRGHTZINIS-UHFFFAOYSA-N -1 1 373.344 2.320 20 0 FEADMM COc1ccccc1CC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737151826 598352661 /nfs/dbraw/zinc/35/26/61/598352661.db2.gz FSTPVSXMWGMIEL-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccccc1CC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737151826 598352663 /nfs/dbraw/zinc/35/26/63/598352663.db2.gz FSTPVSXMWGMIEL-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738342844 598377428 /nfs/dbraw/zinc/37/74/28/598377428.db2.gz RFGUUBNQDMBUMS-UHFFFAOYSA-N -1 1 366.406 2.458 20 0 FEADMM CC(C)CC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735798691 598525603 /nfs/dbraw/zinc/52/56/03/598525603.db2.gz YCGOCDXISFZHQM-JSGCOSHPSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)CC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735798691 598525605 /nfs/dbraw/zinc/52/56/05/598525605.db2.gz YCGOCDXISFZHQM-JSGCOSHPSA-N -1 1 364.475 2.145 20 0 FEADMM CCc1nn(CCO[C@H]2CCCC[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706162 598640204 /nfs/dbraw/zinc/64/02/04/598640204.db2.gz HUTNEFFIMFFKIR-DOMZBBRYSA-N -1 1 360.462 2.144 20 0 FEADMM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737321488 598664040 /nfs/dbraw/zinc/66/40/40/598664040.db2.gz FRWKHNAKHCPMMP-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc(F)cc1F ZINC000737980450 598719964 /nfs/dbraw/zinc/71/99/64/598719964.db2.gz FQVDOZFTNHQAEN-UHFFFAOYSA-N -1 1 367.315 2.343 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000822903423 599316955 /nfs/dbraw/zinc/31/69/55/599316955.db2.gz LDKZLKIKBYWQHF-NXEZZACHSA-N -1 1 364.196 2.396 20 0 FEADMM C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820697327 599337749 /nfs/dbraw/zinc/33/77/49/599337749.db2.gz GBHRWQFFKBOBDA-WDEREUQCSA-N -1 1 353.423 2.205 20 0 FEADMM C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820697327 599337752 /nfs/dbraw/zinc/33/77/52/599337752.db2.gz GBHRWQFFKBOBDA-WDEREUQCSA-N -1 1 353.423 2.205 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820595383 599353952 /nfs/dbraw/zinc/35/39/52/599353952.db2.gz HUIYAIGFBDFHKU-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820595383 599353955 /nfs/dbraw/zinc/35/39/55/599353955.db2.gz HUIYAIGFBDFHKU-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)c1ccncc1 ZINC000737201869 599368470 /nfs/dbraw/zinc/36/84/70/599368470.db2.gz XGMKRGKIDOFPMW-GFCCVEGCSA-N -1 1 368.397 2.216 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000821979837 599486473 /nfs/dbraw/zinc/48/64/73/599486473.db2.gz ZFSRAOHJLOEPBT-GMTAPVOTSA-N -1 1 374.470 2.388 20 0 FEADMM COC(=O)N1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821664956 599516376 /nfs/dbraw/zinc/51/63/76/599516376.db2.gz PTSSQRMUGKFNDV-LLVKDONJSA-N -1 1 353.386 2.058 20 0 FEADMM COC(=O)N1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821664956 599516377 /nfs/dbraw/zinc/51/63/77/599516377.db2.gz PTSSQRMUGKFNDV-LLVKDONJSA-N -1 1 353.386 2.058 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000822004316 599549006 /nfs/dbraw/zinc/54/90/06/599549006.db2.gz FMYFTZYKZVEXSH-MNOVXSKESA-N -1 1 358.446 2.164 20 0 FEADMM CN(CC(=O)NCc1ccccc1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821592745 599565781 /nfs/dbraw/zinc/56/57/81/599565781.db2.gz SPOQJNIAFLYJHI-UHFFFAOYSA-N -1 1 373.420 2.168 20 0 FEADMM CN(CC(=O)NCc1ccccc1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821592745 599565783 /nfs/dbraw/zinc/56/57/83/599565783.db2.gz SPOQJNIAFLYJHI-UHFFFAOYSA-N -1 1 373.420 2.168 20 0 FEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(c1ccccc1)C1CCCC1 ZINC000738355245 599594646 /nfs/dbraw/zinc/59/46/46/599594646.db2.gz LSVLILIZDKZKMM-UHFFFAOYSA-N -1 1 370.438 2.400 20 0 FEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(c1ccccc1)C1CCCC1 ZINC000738355245 599594647 /nfs/dbraw/zinc/59/46/47/599594647.db2.gz LSVLILIZDKZKMM-UHFFFAOYSA-N -1 1 370.438 2.400 20 0 FEADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(OC)cc1 ZINC000736382614 599605136 /nfs/dbraw/zinc/60/51/36/599605136.db2.gz MWEOXPJYTIBYAW-OAHLLOKOSA-N -1 1 367.365 2.089 20 0 FEADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(OC)cc1 ZINC000736382614 599605138 /nfs/dbraw/zinc/60/51/38/599605138.db2.gz MWEOXPJYTIBYAW-OAHLLOKOSA-N -1 1 367.365 2.089 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548146 599664109 /nfs/dbraw/zinc/66/41/09/599664109.db2.gz GEZJVHYYQZVPPN-CABZTGNLSA-N -1 1 361.402 2.385 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(C[C@@H](O)c3cccc(C(F)(F)F)c3)C2)n[nH]1 ZINC000808777446 674472183 /nfs/dbraw/zinc/47/21/83/674472183.db2.gz NOCCRDLZSSSXMJ-WCQYABFASA-N -1 1 356.348 2.442 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)c2cccc(-c3nnn[n-]3)n2)n1 ZINC000820097341 599686998 /nfs/dbraw/zinc/68/69/98/599686998.db2.gz NGACXUXEXXCYID-LLVKDONJSA-N -1 1 358.406 2.015 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)c2cccc(-c3nn[n-]n3)n2)n1 ZINC000820097341 599686999 /nfs/dbraw/zinc/68/69/99/599686999.db2.gz NGACXUXEXXCYID-LLVKDONJSA-N -1 1 358.406 2.015 20 0 FEADMM COc1ccc([C@@H](CNC(=O)CCCNC(=O)[O-])N2CCCCC2)cc1 ZINC000737957356 599710305 /nfs/dbraw/zinc/71/03/05/599710305.db2.gz KCDXUJDGKLOAMY-QGZVFWFLSA-N -1 1 363.458 2.386 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000738406108 599780057 /nfs/dbraw/zinc/78/00/57/599780057.db2.gz KXLBKDCPZXBZQF-OAHLLOKOSA-N -1 1 360.458 2.075 20 0 FEADMM C[C@]1(C2CCCCC2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736738981 599838943 /nfs/dbraw/zinc/83/89/43/599838943.db2.gz YLKFGGRGWFDNRL-KBXCAEBGSA-N -1 1 351.447 2.164 20 0 FEADMM O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000325586507 599852916 /nfs/dbraw/zinc/85/29/16/599852916.db2.gz BFALJXPVXOOIME-UHFFFAOYSA-N -1 1 350.352 2.413 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000736653215 599884057 /nfs/dbraw/zinc/88/40/57/599884057.db2.gz WBVPRRYILOMDMV-UWVGGRQHSA-N -1 1 371.349 2.277 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000736652871 599884316 /nfs/dbraw/zinc/88/43/16/599884316.db2.gz OOEKSNKDUHCYKZ-BZNIZROVSA-N -1 1 367.361 2.050 20 0 FEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000737358458 599951404 /nfs/dbraw/zinc/95/14/04/599951404.db2.gz MULSYNXXFUKHFG-GOSISDBHSA-N -1 1 356.422 2.053 20 0 FEADMM O=C([O-])c1ccc(CCC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000238066532 600037761 /nfs/dbraw/zinc/03/77/61/600037761.db2.gz YHUKGVWPQYZZJY-UHFFFAOYSA-N -1 1 352.434 2.492 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262672608 600131367 /nfs/dbraw/zinc/13/13/67/600131367.db2.gz QARFFEDGGJQNBF-QWHCGFSZSA-N -1 1 361.467 2.440 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000740235914 600177877 /nfs/dbraw/zinc/17/78/77/600177877.db2.gz UFYOHKVWDQSQHO-UHFFFAOYSA-N -1 1 365.798 2.393 20 0 FEADMM CN(CC(=O)[O-])C(=O)CCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000737400791 600218027 /nfs/dbraw/zinc/21/80/27/600218027.db2.gz ALLQRLCCHFMTJY-CQSZACIVSA-N -1 1 356.875 2.363 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738667940 600296328 /nfs/dbraw/zinc/29/63/28/600296328.db2.gz LQLSADFIWRJXJU-INIZCTEOSA-N -1 1 362.495 2.390 20 0 FEADMM C[C@H](OCCCNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736700885 600302682 /nfs/dbraw/zinc/30/26/82/600302682.db2.gz OASSPMDSYDFGNM-WMZOPIPTSA-N -1 1 374.481 2.457 20 0 FEADMM CN(CCCOc1ccccc1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737441404 600309074 /nfs/dbraw/zinc/30/90/74/600309074.db2.gz USHUFRVFISDKEP-QGZVFWFLSA-N -1 1 360.454 2.101 20 0 FEADMM C[NH+](C)Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737371156 600360867 /nfs/dbraw/zinc/36/08/67/600360867.db2.gz YVACGAOYGQHWRO-UHFFFAOYSA-N -1 1 352.387 2.386 20 0 FEADMM C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)C[C@H](C)C(=O)[O-] ZINC000736576124 600369684 /nfs/dbraw/zinc/36/96/84/600369684.db2.gz UYTNBZMHOGAXSR-NTSWFWBYSA-N -1 1 354.275 2.362 20 0 FEADMM C[C@@H](CN(C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C(=O)[O-] ZINC000263324143 600370758 /nfs/dbraw/zinc/37/07/58/600370758.db2.gz KEOPTRUEOCGRIN-NSHDSACASA-N -1 1 365.430 2.464 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)[nH]n1 ZINC000558140501 674484592 /nfs/dbraw/zinc/48/45/92/674484592.db2.gz MCZZAEVSNXBJED-UHFFFAOYSA-N -1 1 350.444 2.255 20 0 FEADMM Cc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c(C(=O)[O-])c1 ZINC000738616063 600493580 /nfs/dbraw/zinc/49/35/80/600493580.db2.gz NYZURRJBRUNEQW-UHFFFAOYSA-N -1 1 366.377 2.328 20 0 FEADMM Cc1[nH]ncc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000738249336 600497816 /nfs/dbraw/zinc/49/78/16/600497816.db2.gz OWDUNMHKHFSZOQ-OAHLLOKOSA-N -1 1 356.382 2.050 20 0 FEADMM CN(C)Cc1cc(CNC(=O)c2cccc(OCC(=O)[O-])c2)ccc1F ZINC000659756572 600619924 /nfs/dbraw/zinc/61/99/24/600619924.db2.gz GEQGAQCBGUMVPT-UHFFFAOYSA-N -1 1 360.385 2.281 20 0 FEADMM COC1CCC(N(C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)CC1 ZINC000737735077 600630632 /nfs/dbraw/zinc/63/06/32/600630632.db2.gz SLCUATQKTHAGQV-UHFFFAOYSA-N -1 1 365.455 2.381 20 0 FEADMM CNS(=O)(=O)[C@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000737551784 600642248 /nfs/dbraw/zinc/64/22/48/600642248.db2.gz BCSXJENXGJVLGM-NSHDSACASA-N -1 1 368.480 2.113 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000736942198 600651671 /nfs/dbraw/zinc/65/16/71/600651671.db2.gz RCVYCOSYKQLBAG-OAHLLOKOSA-N -1 1 354.472 2.236 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000832956210 600770135 /nfs/dbraw/zinc/77/01/35/600770135.db2.gz PLFHJAYFVXZPCZ-KBPBESRZSA-N -1 1 354.472 2.234 20 0 FEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000828420858 600792619 /nfs/dbraw/zinc/79/26/19/600792619.db2.gz DQHSVNBSMPVJCO-MFKMUULPSA-N -1 1 360.863 2.045 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@H](N2CCC3(C2)CCOCC3)C1=O ZINC000833336403 600799915 /nfs/dbraw/zinc/79/99/15/600799915.db2.gz PIAUZHUUCGHWCF-ZDUSSCGKSA-N -1 1 350.440 2.054 20 0 FEADMM CC(=O)NC[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000825871000 600820837 /nfs/dbraw/zinc/82/08/37/600820837.db2.gz KYMHPXBQXCSJMG-CYBMUJFWSA-N -1 1 354.834 2.265 20 0 FEADMM CN(CCc1cccs1)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000830800743 600847513 /nfs/dbraw/zinc/84/75/13/600847513.db2.gz XBOUYQPSXHIPIN-KRWDZBQOSA-N -1 1 358.463 2.261 20 0 FEADMM Cc1nsc(N2CCCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)n1 ZINC000833023791 601035895 /nfs/dbraw/zinc/03/58/95/601035895.db2.gz HTIJOPZKJROAKN-CQSZACIVSA-N -1 1 350.419 2.324 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000827380657 601085573 /nfs/dbraw/zinc/08/55/73/601085573.db2.gz SRKIAWXSUGZTPB-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM CSCc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1F ZINC000600867625 601090367 /nfs/dbraw/zinc/09/03/67/601090367.db2.gz BYTUIPDKLQCISG-LBPRGKRZSA-N -1 1 354.447 2.310 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000630222139 601095504 /nfs/dbraw/zinc/09/55/04/601095504.db2.gz DCQFCHUJDRWPJG-HNNXBMFYSA-N -1 1 356.422 2.226 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000630224128 601101917 /nfs/dbraw/zinc/10/19/17/601101917.db2.gz MKQYHAFETFPXJJ-FPDPHYFHSA-N -1 1 356.466 2.288 20 0 FEADMM CC(C)COc1ccc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000630225858 601105416 /nfs/dbraw/zinc/10/54/16/601105416.db2.gz XXGXINORMDHONS-INIZCTEOSA-N -1 1 362.470 2.271 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630223703 601106997 /nfs/dbraw/zinc/10/69/97/601106997.db2.gz KVGJIGINKNWBBQ-AWEZNQCLSA-N -1 1 370.453 2.110 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)[nH]n2)cc1 ZINC000630224490 601107041 /nfs/dbraw/zinc/10/70/41/601107041.db2.gz POJZCNDQBFDKGI-AWEZNQCLSA-N -1 1 356.426 2.006 20 0 FEADMM O=C([O-])CCNC(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000833236964 601157067 /nfs/dbraw/zinc/15/70/67/601157067.db2.gz RDCSWPWFVJZQAN-ZIAGYGMSSA-N -1 1 354.472 2.007 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000827378847 601160913 /nfs/dbraw/zinc/16/09/13/601160913.db2.gz ASIMHJDQUXVAHR-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000824991398 607499995 /nfs/dbraw/zinc/49/99/95/607499995.db2.gz APYQTZLFEOQBBL-BETUJISGSA-N -1 1 373.461 2.091 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000591684251 601329728 /nfs/dbraw/zinc/32/97/28/601329728.db2.gz RLNQJFVYMBJDJQ-UHFFFAOYSA-N -1 1 361.379 2.379 20 0 FEADMM COc1cc2c(cc1CNC(=O)c1ccc(-c3nnn[n-]3)s1)O[C@@H](C)C2 ZINC000821727581 607502230 /nfs/dbraw/zinc/50/22/30/607502230.db2.gz KVWPIMCHXUOQSE-VIFPVBQESA-N -1 1 371.422 2.190 20 0 FEADMM COc1cc2c(cc1CNC(=O)c1ccc(-c3nn[n-]n3)s1)O[C@@H](C)C2 ZINC000821727581 607502232 /nfs/dbraw/zinc/50/22/32/607502232.db2.gz KVWPIMCHXUOQSE-VIFPVBQESA-N -1 1 371.422 2.190 20 0 FEADMM CC(C)N(CCC(=O)[O-])Cn1c(=O)oc2ccc(Br)cc21 ZINC000826946559 601398082 /nfs/dbraw/zinc/39/80/82/601398082.db2.gz BHOGHKQNJGIQGV-UHFFFAOYSA-N -1 1 357.204 2.500 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000829184937 601398940 /nfs/dbraw/zinc/39/89/40/601398940.db2.gz RDGWNKJHRJIYQO-CQSZACIVSA-N -1 1 358.442 2.320 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1F ZINC000832034291 601489787 /nfs/dbraw/zinc/48/97/87/601489787.db2.gz RQSGMJPYFCOKRG-UHFFFAOYSA-N -1 1 371.342 2.048 20 0 FEADMM C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1C(=O)[O-] ZINC000251866406 601528162 /nfs/dbraw/zinc/52/81/62/601528162.db2.gz SXUCUTBQNFOYPD-GXSJLCMTSA-N -1 1 356.216 2.373 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000630222398 601687411 /nfs/dbraw/zinc/68/74/11/601687411.db2.gz DQBSCEIYCIQHQM-OAHLLOKOSA-N -1 1 357.454 2.118 20 0 FEADMM O=C([O-])[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1F ZINC000833116234 601738399 /nfs/dbraw/zinc/73/83/99/601738399.db2.gz OFEWKNPLVOUOKB-SECBINFHSA-N -1 1 359.429 2.000 20 0 FEADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000827735044 601832364 /nfs/dbraw/zinc/83/23/64/601832364.db2.gz OTBHJFYZHZNRFT-CYBMUJFWSA-N -1 1 356.426 2.430 20 0 FEADMM CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CC[C@](C)(C(=O)[O-])C1)C2=O ZINC000828029374 601891870 /nfs/dbraw/zinc/89/18/70/601891870.db2.gz ZKBSKURIFQIUJF-SZSCYUJKSA-N -1 1 365.474 2.267 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCCO)c(F)cc1Cl ZINC000809396229 674492978 /nfs/dbraw/zinc/49/29/78/674492978.db2.gz YURKFZNKQOWHBJ-VIFPVBQESA-N -1 1 367.826 2.095 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)n(-c2ccc(F)cc2)n1 ZINC000832892706 601924724 /nfs/dbraw/zinc/92/47/24/601924724.db2.gz JZFGLMNIHAYQTD-SFHVURJKSA-N -1 1 360.389 2.055 20 0 FEADMM CC(C)[C@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1ccc(F)cc1 ZINC000738786648 601946807 /nfs/dbraw/zinc/94/68/07/601946807.db2.gz BNKYJSPIULJSBX-GUYCJALGSA-N -1 1 351.422 2.229 20 0 FEADMM C[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738921441 602009415 /nfs/dbraw/zinc/00/94/15/602009415.db2.gz URKHEBBLPWWHPF-JKSUJKDBSA-N -1 1 374.485 2.122 20 0 FEADMM CC(C)CNC(=O)c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824266974 607546550 /nfs/dbraw/zinc/54/65/50/607546550.db2.gz VIBCOYZZELEESK-UHFFFAOYSA-N -1 1 351.414 2.260 20 0 FEADMM CC(C)CNC(=O)c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824266974 607546551 /nfs/dbraw/zinc/54/65/51/607546551.db2.gz VIBCOYZZELEESK-UHFFFAOYSA-N -1 1 351.414 2.260 20 0 FEADMM CCCN1CCN(c2ccc(NC(=O)CN(C)C(=O)[O-])cc2Cl)CC1 ZINC000739365502 602194246 /nfs/dbraw/zinc/19/42/46/602194246.db2.gz QSNZMOPLIPZSQM-UHFFFAOYSA-N -1 1 368.865 2.420 20 0 FEADMM Cc1n[nH]c([C@H]2CCCN([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000832997445 602234155 /nfs/dbraw/zinc/23/41/55/602234155.db2.gz YOROJYFJUGTYLN-AAEUAGOBSA-N -1 1 359.430 2.207 20 0 FEADMM Cc1nnc([C@H]2CCCN([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)[nH]1 ZINC000832997445 602234159 /nfs/dbraw/zinc/23/41/59/602234159.db2.gz YOROJYFJUGTYLN-AAEUAGOBSA-N -1 1 359.430 2.207 20 0 FEADMM CC[C@]1(C)CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000829050182 602241393 /nfs/dbraw/zinc/24/13/93/602241393.db2.gz NEJUFZZZIBMAIT-FXAWDEMLSA-N -1 1 357.454 2.402 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c1 ZINC000739947968 602273056 /nfs/dbraw/zinc/27/30/56/602273056.db2.gz UPIAKKJMEMTTND-PBHICJAKSA-N -1 1 363.458 2.164 20 0 FEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CCC(C)CC2)cc1OC ZINC000832231569 602286009 /nfs/dbraw/zinc/28/60/09/602286009.db2.gz VSUFGWPXHBDXMN-HNNXBMFYSA-N -1 1 364.442 2.068 20 0 FEADMM Cn1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000833047969 602355095 /nfs/dbraw/zinc/35/50/95/602355095.db2.gz ASSKDYXMMUIJMG-UHFFFAOYSA-N -1 1 356.426 2.463 20 0 FEADMM C[C@H](NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738959483 602449471 /nfs/dbraw/zinc/44/94/71/602449471.db2.gz CMQBXMORMRPATK-STQMWFEESA-N -1 1 351.422 2.371 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000739027449 602450463 /nfs/dbraw/zinc/45/04/63/602450463.db2.gz OLMGSPCRWGTJNJ-ZDUSSCGKSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739055173 602450786 /nfs/dbraw/zinc/45/07/86/602450786.db2.gz FOQMIWWRDFHJCQ-UONOGXRCSA-N -1 1 354.472 2.473 20 0 FEADMM CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739334158 602531738 /nfs/dbraw/zinc/53/17/38/602531738.db2.gz YBGWYWWVZNOSRY-KBPBESRZSA-N -1 1 352.435 2.412 20 0 FEADMM O=S(=O)(NCC1CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490235 607572280 /nfs/dbraw/zinc/57/22/80/607572280.db2.gz NXUDAYXMQKHHCL-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM O=S(=O)(NCC1CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490235 607572282 /nfs/dbraw/zinc/57/22/82/607572282.db2.gz NXUDAYXMQKHHCL-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739658036 602538849 /nfs/dbraw/zinc/53/88/49/602538849.db2.gz CKPVKRQGNFFFMH-LBPRGKRZSA-N -1 1 371.840 2.369 20 0 FEADMM O=S(=O)(Oc1ccccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493805 607573080 /nfs/dbraw/zinc/57/30/80/607573080.db2.gz CTJPBVDGNWZZIV-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1ccccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493805 607573082 /nfs/dbraw/zinc/57/30/82/607573082.db2.gz CTJPBVDGNWZZIV-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000740692053 602563574 /nfs/dbraw/zinc/56/35/74/602563574.db2.gz RSVRJZFGIQFVQW-IAGOWNOFSA-N -1 1 371.437 2.412 20 0 FEADMM O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487955 607574165 /nfs/dbraw/zinc/57/41/65/607574165.db2.gz FFJOLEFYGPHPBF-HNNXBMFYSA-N -1 1 373.413 2.362 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000738998069 602592363 /nfs/dbraw/zinc/59/23/63/602592363.db2.gz CYBCAMVCPBXQEO-CABCVRRESA-N -1 1 359.470 2.328 20 0 FEADMM O=C([O-])N1CCC[C@H]1CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000740406921 602611564 /nfs/dbraw/zinc/61/15/64/602611564.db2.gz XGJRMRZBPUNSMP-LSDHHAIUSA-N -1 1 364.446 2.248 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739788739 602653014 /nfs/dbraw/zinc/65/30/14/602653014.db2.gz NSYVFQNWDJYEQZ-UHFFFAOYSA-N -1 1 350.352 2.364 20 0 FEADMM O=C([O-])N[C@@H](C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000740687126 602666860 /nfs/dbraw/zinc/66/68/60/602666860.db2.gz CVRBXRJQEHQHAM-OAHLLOKOSA-N -1 1 369.356 2.236 20 0 FEADMM O=C([O-])N[C@@H](C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000740687126 602666861 /nfs/dbraw/zinc/66/68/61/602666861.db2.gz CVRBXRJQEHQHAM-OAHLLOKOSA-N -1 1 369.356 2.236 20 0 FEADMM Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305594 607577541 /nfs/dbraw/zinc/57/75/41/607577541.db2.gz CBQGLMDKIJIHQN-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM CC(C)c1noc([C@H](C)N2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)n1 ZINC000738886288 602706318 /nfs/dbraw/zinc/70/63/18/602706318.db2.gz USIMCQFXSPQWMT-LSDHHAIUSA-N -1 1 365.478 2.262 20 0 FEADMM CC(C)CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824255237 607583580 /nfs/dbraw/zinc/58/35/80/607583580.db2.gz DNONQDCBJKSTNK-UHFFFAOYSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@H]1NC(=O)[O-] ZINC000739170569 602761082 /nfs/dbraw/zinc/76/10/82/602761082.db2.gz GQCTZYLWBZTNEP-XJKSGUPXSA-N -1 1 370.453 2.031 20 0 FEADMM C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178481 602787948 /nfs/dbraw/zinc/78/79/48/602787948.db2.gz QUGAZCGYJLEZST-SJWCIXBMSA-N -1 1 363.502 2.438 20 0 FEADMM CN(C)Cc1cc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])ccc1F ZINC000739609783 602810936 /nfs/dbraw/zinc/81/09/36/602810936.db2.gz GWFIQKJIOGLNTE-GOSISDBHSA-N -1 1 373.428 2.382 20 0 FEADMM O=C([O-])N1CC[C@@H](N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740505057 602875796 /nfs/dbraw/zinc/87/57/96/602875796.db2.gz JLYYJKWXXJFPOT-DGCLKSJQSA-N -1 1 357.332 2.153 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826282753 607592045 /nfs/dbraw/zinc/59/20/45/607592045.db2.gz BUTKTFXKXACUOS-LLVKDONJSA-N -1 1 361.402 2.354 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739605353 602955509 /nfs/dbraw/zinc/95/55/09/602955509.db2.gz BGISVTMVSNZMIR-HOTGVXAUSA-N -1 1 366.437 2.260 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1ccco1 ZINC000739406821 602962023 /nfs/dbraw/zinc/96/20/23/602962023.db2.gz GXKNMKHCLZFMJR-LSDHHAIUSA-N -1 1 366.462 2.494 20 0 FEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824167751 607598251 /nfs/dbraw/zinc/59/82/51/607598251.db2.gz TYPUYZRAVOUJDY-UHFFFAOYSA-N -1 1 361.402 2.219 20 0 FEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824167751 607598252 /nfs/dbraw/zinc/59/82/52/607598252.db2.gz TYPUYZRAVOUJDY-UHFFFAOYSA-N -1 1 361.402 2.219 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(OCCO)CC1 ZINC000558754488 674514501 /nfs/dbraw/zinc/51/45/01/674514501.db2.gz NJBINTAGJULZRP-UHFFFAOYSA-N -1 1 350.802 2.207 20 0 FEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739606901 603027442 /nfs/dbraw/zinc/02/74/42/603027442.db2.gz HHPYNAJEDKXKNC-ZWKOTPCHSA-N -1 1 355.438 2.284 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)n1 ZINC000740681334 603060768 /nfs/dbraw/zinc/06/07/68/603060768.db2.gz GCDRUAHBPKXPNR-UHFFFAOYSA-N -1 1 368.353 2.357 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)n[nH]1 ZINC000740681334 603060774 /nfs/dbraw/zinc/06/07/74/603060774.db2.gz GCDRUAHBPKXPNR-UHFFFAOYSA-N -1 1 368.353 2.357 20 0 FEADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)n1 ZINC000823864208 603078320 /nfs/dbraw/zinc/07/83/20/603078320.db2.gz IZBZATGGUMRPAS-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000823864208 603078324 /nfs/dbraw/zinc/07/83/24/603078324.db2.gz IZBZATGGUMRPAS-CYBMUJFWSA-N -1 1 373.413 2.406 20 0 FEADMM CC(C)COc1ncccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824271981 607605337 /nfs/dbraw/zinc/60/53/37/607605337.db2.gz SEWHJNJHRRXMLM-UHFFFAOYSA-N -1 1 354.370 2.049 20 0 FEADMM CC(C)COc1ncccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824271981 607605339 /nfs/dbraw/zinc/60/53/39/607605339.db2.gz SEWHJNJHRRXMLM-UHFFFAOYSA-N -1 1 354.370 2.049 20 0 FEADMM CCN(c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825443992 607606233 /nfs/dbraw/zinc/60/62/33/607606233.db2.gz HVEKHMYWHNVBEP-UHFFFAOYSA-N -1 1 364.818 2.130 20 0 FEADMM CN(C)[C@@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1cccs1 ZINC000739601818 603108241 /nfs/dbraw/zinc/10/82/41/603108241.db2.gz IFWAMMZYZQHKLU-HNNXBMFYSA-N -1 1 373.478 2.272 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000739010151 603126877 /nfs/dbraw/zinc/12/68/77/603126877.db2.gz OYTOACYTCHQDLL-LBPRGKRZSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000739010151 603126879 /nfs/dbraw/zinc/12/68/79/603126879.db2.gz OYTOACYTCHQDLL-LBPRGKRZSA-N -1 1 372.429 2.049 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1cccc(F)c1 ZINC000739605976 603144267 /nfs/dbraw/zinc/14/42/67/603144267.db2.gz DJWKAXONXKSOAN-GPANFISMSA-N -1 1 366.437 2.306 20 0 FEADMM CN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739735898 603204313 /nfs/dbraw/zinc/20/43/13/603204313.db2.gz GEGMRWMXJGAUHG-LBPRGKRZSA-N -1 1 366.849 2.030 20 0 FEADMM COc1ccc([C@@H](CNC(=O)C[C@H](C)NC(=O)[O-])N2CCCCC2)cc1 ZINC000829309851 603231227 /nfs/dbraw/zinc/23/12/27/603231227.db2.gz DUDAKXCAEZVLPJ-WMLDXEAASA-N -1 1 363.458 2.385 20 0 FEADMM O=C([O-])NC[C@H](C(=O)NCCN1CCc2ccccc2C1)c1ccccc1 ZINC000832407987 603296917 /nfs/dbraw/zinc/29/69/17/603296917.db2.gz MFCAMTFGFGCBHE-IBGZPJMESA-N -1 1 367.449 2.212 20 0 FEADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@H]1CCN(C(=O)[O-])C1 ZINC000739888623 603347129 /nfs/dbraw/zinc/34/71/29/603347129.db2.gz DPOLFKQFGKPVMR-GDBMZVCRSA-N -1 1 361.442 2.406 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000740064301 603412562 /nfs/dbraw/zinc/41/25/62/603412562.db2.gz RAGXEMYCLHQVFK-FUHWJXTLSA-N -1 1 361.486 2.249 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCn3cccc3)cc2)n1 ZINC000832730928 603474041 /nfs/dbraw/zinc/47/40/41/603474041.db2.gz XRYMORXZFFBFMD-UHFFFAOYSA-N -1 1 354.370 2.070 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCn3cccc3)cc2)n[nH]1 ZINC000832730928 603474045 /nfs/dbraw/zinc/47/40/45/603474045.db2.gz XRYMORXZFFBFMD-UHFFFAOYSA-N -1 1 354.370 2.070 20 0 FEADMM CN(CC(C)(C)CNC(=O)[O-])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000828154925 603495856 /nfs/dbraw/zinc/49/58/56/603495856.db2.gz RKHWZMJXAQHOSQ-CYBMUJFWSA-N -1 1 355.385 2.296 20 0 FEADMM CN(CC(C)(C)CNC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000828138311 603517387 /nfs/dbraw/zinc/51/73/87/603517387.db2.gz YWEJAGMGVCIQGQ-AWEZNQCLSA-N -1 1 366.462 2.352 20 0 FEADMM O=C([O-])N1CCC(NCc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000831730380 603579631 /nfs/dbraw/zinc/57/96/31/603579631.db2.gz FHLIQSUXGMWOQG-UHFFFAOYSA-N -1 1 374.466 2.305 20 0 FEADMM C[C@H]1CC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824875942 607639719 /nfs/dbraw/zinc/63/97/19/607639719.db2.gz PRAYICZPMWEFFG-NXEZZACHSA-N -1 1 353.423 2.109 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000830257670 603644727 /nfs/dbraw/zinc/64/47/27/603644727.db2.gz WDPZJGBDMPXMEV-LSDHHAIUSA-N -1 1 364.446 2.119 20 0 FEADMM CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825192361 607642090 /nfs/dbraw/zinc/64/20/90/607642090.db2.gz GPWZYNURGRKKAB-CMPLNLGQSA-N -1 1 353.423 2.253 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827994867 603673914 /nfs/dbraw/zinc/67/39/14/603673914.db2.gz ODUMRVCJQKNIOB-GJZGRUSLSA-N -1 1 368.865 2.336 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3ccccc3O)cc2)n1 ZINC000832730968 603736556 /nfs/dbraw/zinc/73/65/56/603736556.db2.gz ZECAVELJSNAIHD-UHFFFAOYSA-N -1 1 367.365 2.126 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3ccccc3O)cc2)n[nH]1 ZINC000832730968 603736560 /nfs/dbraw/zinc/73/65/60/603736560.db2.gz ZECAVELJSNAIHD-UHFFFAOYSA-N -1 1 367.365 2.126 20 0 FEADMM COc1ccc(NC(=O)[O-])c(NC(=O)CCSc2nnc(C)[nH]2)c1 ZINC000829469095 603743388 /nfs/dbraw/zinc/74/33/88/603743388.db2.gz BIYYNEJFATXBRG-UHFFFAOYSA-N -1 1 351.388 2.333 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000823618912 603785285 /nfs/dbraw/zinc/78/52/85/603785285.db2.gz YXGHSNIDWOYUSL-UHFFFAOYSA-N -1 1 362.430 2.094 20 0 FEADMM CS[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826226849 607650781 /nfs/dbraw/zinc/65/07/81/607650781.db2.gz HLQWPDFFUJDTAQ-IUCAKERBSA-N -1 1 373.891 2.083 20 0 FEADMM CS[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826226849 607650783 /nfs/dbraw/zinc/65/07/83/607650783.db2.gz HLQWPDFFUJDTAQ-IUCAKERBSA-N -1 1 373.891 2.083 20 0 FEADMM O=C([O-])N1CC[C@](F)(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)C1 ZINC000831907324 603854097 /nfs/dbraw/zinc/85/40/97/603854097.db2.gz BTFIHHUMHYYFKI-SUMWQHHRSA-N -1 1 362.361 2.445 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CCN1C(=O)[O-] ZINC000825997179 603887265 /nfs/dbraw/zinc/88/72/65/603887265.db2.gz XDCDGIHRHWWQRK-HUUCEWRRSA-N -1 1 364.446 2.200 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000825458005 603938793 /nfs/dbraw/zinc/93/87/93/603938793.db2.gz FERRFJJQPOVIJH-JTQLQIEISA-N -1 1 367.365 2.410 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000825221257 604037869 /nfs/dbraw/zinc/03/78/69/604037869.db2.gz YQXPYCPWMRNWQJ-IHRRRGAJSA-N -1 1 368.503 2.429 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000828298752 604046421 /nfs/dbraw/zinc/04/64/21/604046421.db2.gz XAFUERSRGVWEPL-AWEZNQCLSA-N -1 1 356.854 2.242 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827993471 604046770 /nfs/dbraw/zinc/04/67/70/604046770.db2.gz CMRWWNJMRSBPRI-HNNXBMFYSA-N -1 1 368.865 2.384 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1ccco1 ZINC000827034700 604072871 /nfs/dbraw/zinc/07/28/71/604072871.db2.gz DNYDMHJQPBEDLB-GJZGRUSLSA-N -1 1 366.462 2.446 20 0 FEADMM C[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCS1 ZINC000824822628 607670359 /nfs/dbraw/zinc/67/03/59/607670359.db2.gz FHPAMHBIFSKAAM-ZDUSSCGKSA-N -1 1 373.891 2.084 20 0 FEADMM C[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCS1 ZINC000824822628 607670360 /nfs/dbraw/zinc/67/03/60/607670360.db2.gz FHPAMHBIFSKAAM-ZDUSSCGKSA-N -1 1 373.891 2.084 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])cc1 ZINC000827428874 604107178 /nfs/dbraw/zinc/10/71/78/604107178.db2.gz YWOUCCAHGUYYHD-INIZCTEOSA-N -1 1 363.458 2.118 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000825253695 604163903 /nfs/dbraw/zinc/16/39/03/604163903.db2.gz JVFCJTOTFQCZCM-AVGNSLFASA-N -1 1 365.396 2.155 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826523544 607682448 /nfs/dbraw/zinc/68/24/48/607682448.db2.gz PTUBLUBTJCZHQJ-CHWSQXEVSA-N -1 1 351.414 2.063 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826523544 607682450 /nfs/dbraw/zinc/68/24/50/607682450.db2.gz PTUBLUBTJCZHQJ-CHWSQXEVSA-N -1 1 351.414 2.063 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000825256526 604223576 /nfs/dbraw/zinc/22/35/76/604223576.db2.gz YOYYHAWNQRMJJQ-YDHLFZDLSA-N -1 1 351.422 2.199 20 0 FEADMM C[C@H](C(=O)N1CCC(C)CC1)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825937556 604227941 /nfs/dbraw/zinc/22/79/41/604227941.db2.gz JQJAIYOWTKNVJP-OAHLLOKOSA-N -1 1 351.491 2.488 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)C2CC2)o1 ZINC000830301821 604254459 /nfs/dbraw/zinc/25/44/59/604254459.db2.gz BCKNFIHJLPUTTE-GJZGRUSLSA-N -1 1 363.458 2.447 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)[nH]c2c1 ZINC000830432800 604270725 /nfs/dbraw/zinc/27/07/25/604270725.db2.gz LYZWUWKEPHFLJP-CHWSQXEVSA-N -1 1 359.430 2.449 20 0 FEADMM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000824176873 604344134 /nfs/dbraw/zinc/34/41/34/604344134.db2.gz OCWIPOFHGASZJN-KRWDZBQOSA-N -1 1 360.418 2.461 20 0 FEADMM O=C([O-])N1CCC(CNCc2nnc3n2CCC[C@@H]3C(F)(F)F)CC1 ZINC000831883627 604517179 /nfs/dbraw/zinc/51/71/79/604517179.db2.gz ZDMFEKWWIRXBJD-NSHDSACASA-N -1 1 361.368 2.197 20 0 FEADMM COc1cc(OC)cc([C@@H](OC(=O)c2[nH]nc3c2CCCC3)C(=O)[O-])c1 ZINC000832073930 604562540 /nfs/dbraw/zinc/56/25/40/604562540.db2.gz KNSGHMVCBKBRSF-MRXNPFEDSA-N -1 1 360.366 2.288 20 0 FEADMM CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833398946 604689179 /nfs/dbraw/zinc/68/91/79/604689179.db2.gz YFHWCUUGIULMFT-UHFFFAOYSA-N -1 1 369.786 2.192 20 0 FEADMM CN1CC[C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000833697063 604708550 /nfs/dbraw/zinc/70/85/50/604708550.db2.gz CHDOROIOFPPHEV-MSOLQXFVSA-N -1 1 374.462 2.250 20 0 FEADMM CC(C)C[C@@H](NC(=O)CN1CCC[C@H]1Cn1cnc2ccccc21)C(=O)[O-] ZINC000833477121 604717095 /nfs/dbraw/zinc/71/70/95/604717095.db2.gz GGVTWXWQJDBRBJ-DOTOQJQBSA-N -1 1 372.469 2.116 20 0 FEADMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(SC(F)F)cc1 ZINC000825486611 604772771 /nfs/dbraw/zinc/77/27/71/604772771.db2.gz ZQRZZUKWNKDOGU-LLVKDONJSA-N -1 1 373.425 2.474 20 0 FEADMM COC(=O)c1ccccc1CN1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000833716721 604775420 /nfs/dbraw/zinc/77/54/20/604775420.db2.gz CRTQOTACJCSJGE-UHFFFAOYSA-N -1 1 368.433 2.489 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC(CNC(=O)[O-])CC3)n[nH]2)cc1 ZINC000829234775 604795000 /nfs/dbraw/zinc/79/50/00/604795000.db2.gz UFWBAGLWDMEYNI-UHFFFAOYSA-N -1 1 358.398 2.205 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)Nc2ncccc2Br)c1 ZINC000091272090 604797047 /nfs/dbraw/zinc/79/70/47/604797047.db2.gz APDKCGSPPMPFAR-UHFFFAOYSA-N -1 1 363.214 2.405 20 0 FEADMM Cc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c(C)c1 ZINC000826281056 607717461 /nfs/dbraw/zinc/71/74/61/607717461.db2.gz BGVXUMLEEYQVAF-UHFFFAOYSA-N -1 1 374.404 2.385 20 0 FEADMM COc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1F ZINC000826208323 607717637 /nfs/dbraw/zinc/71/76/37/607717637.db2.gz DYTPIKSOHXHJJD-UHFFFAOYSA-N -1 1 366.356 2.081 20 0 FEADMM COc1ccc(C)cc1Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000826189796 607719692 /nfs/dbraw/zinc/71/96/92/607719692.db2.gz FEJTXCLIYIRVDE-UHFFFAOYSA-N -1 1 362.393 2.250 20 0 FEADMM O=C([O-])NC[C@H]1CCCCN1C(=O)c1cccc(Br)c1O ZINC000832528309 604926368 /nfs/dbraw/zinc/92/63/68/604926368.db2.gz QRNRMDRYGJINLY-SECBINFHSA-N -1 1 357.204 2.417 20 0 FEADMM CCc1nc(NC(=O)CC2(N3CCOCC3)CCCC2)sc1C(=O)[O-] ZINC000833676190 604993927 /nfs/dbraw/zinc/99/39/27/604993927.db2.gz MLQGGTRDLBQNLZ-UHFFFAOYSA-N -1 1 367.471 2.377 20 0 FEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CCN1C ZINC000833595126 605039242 /nfs/dbraw/zinc/03/92/42/605039242.db2.gz CNYKGHDPABENSU-JQWIXIFHSA-N -1 1 360.863 2.141 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1cccs1 ZINC000833627143 605051740 /nfs/dbraw/zinc/05/17/40/605051740.db2.gz UQVGXDPWPLNMOD-ZDUSSCGKSA-N -1 1 353.488 2.216 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833738025 605054275 /nfs/dbraw/zinc/05/42/75/605054275.db2.gz PJYIJLNACDSRMW-UHFFFAOYSA-N -1 1 363.391 2.042 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000833626938 605102962 /nfs/dbraw/zinc/10/29/62/605102962.db2.gz SQBYMGRITFCICU-QAPCUYQASA-N -1 1 360.454 2.202 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1csc2c1CC[C@H](C)C2 ZINC000833617964 605108433 /nfs/dbraw/zinc/10/84/33/605108433.db2.gz XNLIIMRDGWEYDD-QWHCGFSZSA-N -1 1 350.484 2.494 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)ccc1OCC(=O)[O-] ZINC000833661674 605133679 /nfs/dbraw/zinc/13/36/79/605133679.db2.gz VCPSGQLTHDCHRC-KGLIPLIRSA-N -1 1 364.442 2.103 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1N1CCCCC1 ZINC000833623887 605157993 /nfs/dbraw/zinc/15/79/93/605157993.db2.gz GVNQJUBVPOHTHR-INIZCTEOSA-N -1 1 359.470 2.298 20 0 FEADMM COC(=O)c1cc(CN2CCN(Cc3ccccc3)CC2)cc(C(=O)[O-])c1 ZINC000833713317 605201786 /nfs/dbraw/zinc/20/17/86/605201786.db2.gz VVLOVHDUVDAUIJ-UHFFFAOYSA-N -1 1 368.433 2.489 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000825815334 605371561 /nfs/dbraw/zinc/37/15/61/605371561.db2.gz BYPYOWGZZQEWNY-UHOFOFEASA-N -1 1 366.437 2.259 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000833405621 605493940 /nfs/dbraw/zinc/49/39/40/605493940.db2.gz XCKHBAPJJCULFX-XYPHTWIQSA-N -1 1 362.470 2.118 20 0 FEADMM O=C([O-])N1CCC[C@H]1CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000834013309 605558745 /nfs/dbraw/zinc/55/87/45/605558745.db2.gz HQXUTPPREBQJPN-KRWDZBQOSA-N -1 1 363.433 2.045 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000827994514 605599276 /nfs/dbraw/zinc/59/92/76/605599276.db2.gz LRNYVWJUAPQENI-UONOGXRCSA-N -1 1 366.487 2.277 20 0 FEADMM NC(=O)c1n[nH]c2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)[O-])cc21 ZINC000833985953 605618627 /nfs/dbraw/zinc/61/86/27/605618627.db2.gz CCQJWGVUHBZGOM-YPMHNXCESA-N -1 1 373.413 2.207 20 0 FEADMM Cn1c(CN[C@H](CNC(=O)[O-])C2CCCCC2)nc2ccccc2c1=O ZINC000833941896 605666117 /nfs/dbraw/zinc/66/61/17/605666117.db2.gz SREAIIRYAPKVGZ-MRXNPFEDSA-N -1 1 358.442 2.240 20 0 FEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000833834958 605683821 /nfs/dbraw/zinc/68/38/21/605683821.db2.gz SKHOKLHYEFZVEN-UWVGGRQHSA-N -1 1 358.341 2.495 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000834107346 605725202 /nfs/dbraw/zinc/72/52/02/605725202.db2.gz MOXODFNIRVPOLC-GDBMZVCRSA-N -1 1 356.430 2.152 20 0 FEADMM N=C(NOCc1csc(C2CCCC2)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833978948 605731545 /nfs/dbraw/zinc/73/15/45/605731545.db2.gz BGYYDPXKCVHVAJ-GFCCVEGCSA-N -1 1 354.432 2.178 20 0 FEADMM COc1cccc(-c2cc(C(=O)N(C3CC3)[C@H]3CCN(C(=O)[O-])C3)n[nH]2)c1 ZINC000829530679 605790806 /nfs/dbraw/zinc/79/08/06/605790806.db2.gz CJJMTTLJSMSZKR-AWEZNQCLSA-N -1 1 370.409 2.442 20 0 FEADMM NC(=O)[C@@H](NC1CCC(NC(=O)[O-])CC1)c1cccc(Br)c1 ZINC000833981982 605798770 /nfs/dbraw/zinc/79/87/70/605798770.db2.gz WMGDLZNZHPABRM-BPCQOVAHSA-N -1 1 370.247 2.144 20 0 FEADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)c2ccccc21 ZINC000834160118 605803026 /nfs/dbraw/zinc/80/30/26/605803026.db2.gz SCNJYYPMFXBGAW-FRRDWIJNSA-N -1 1 357.332 2.193 20 0 FEADMM O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008225 605807263 /nfs/dbraw/zinc/80/72/63/605807263.db2.gz TVFSFKODMZEOTF-IAGOWNOFSA-N -1 1 361.442 2.089 20 0 FEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000833833430 605907860 /nfs/dbraw/zinc/90/78/60/605907860.db2.gz XWSDMVIFXSJJDZ-LSDHHAIUSA-N -1 1 360.458 2.203 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)N3CCC(c4cnc[nH]4)CC3)cc2C1 ZINC000834120398 605924981 /nfs/dbraw/zinc/92/49/81/605924981.db2.gz LVUCZHHHVDEAPA-UHFFFAOYSA-N -1 1 370.413 2.252 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820513251 606134008 /nfs/dbraw/zinc/13/40/08/606134008.db2.gz YGRITRDLEXRWDB-WDEREUQCSA-N -1 1 371.422 2.351 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820513251 606134010 /nfs/dbraw/zinc/13/40/10/606134010.db2.gz YGRITRDLEXRWDB-WDEREUQCSA-N -1 1 371.422 2.351 20 0 FEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820697769 606139046 /nfs/dbraw/zinc/13/90/46/606139046.db2.gz LWLGFFSBFSNBMV-QWRGUYRKSA-N -1 1 363.443 2.122 20 0 FEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697769 606139047 /nfs/dbraw/zinc/13/90/47/606139047.db2.gz LWLGFFSBFSNBMV-QWRGUYRKSA-N -1 1 363.443 2.122 20 0 FEADMM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820031900 606158282 /nfs/dbraw/zinc/15/82/82/606158282.db2.gz JPSVGLXNVPFXJH-CQSZACIVSA-N -1 1 354.418 2.461 20 0 FEADMM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820031900 606158283 /nfs/dbraw/zinc/15/82/83/606158283.db2.gz JPSVGLXNVPFXJH-CQSZACIVSA-N -1 1 354.418 2.461 20 0 FEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000820920171 606160777 /nfs/dbraw/zinc/16/07/77/606160777.db2.gz MIPYOJMIUALQRV-CQSZACIVSA-N -1 1 368.445 2.478 20 0 FEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000820920171 606160779 /nfs/dbraw/zinc/16/07/79/606160779.db2.gz MIPYOJMIUALQRV-CQSZACIVSA-N -1 1 368.445 2.478 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)n1 ZINC000822613673 606163065 /nfs/dbraw/zinc/16/30/65/606163065.db2.gz FOLHVHIHMKXMNR-LBPRGKRZSA-N -1 1 358.793 2.063 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)n1 ZINC000822613673 606163067 /nfs/dbraw/zinc/16/30/67/606163067.db2.gz FOLHVHIHMKXMNR-LBPRGKRZSA-N -1 1 358.793 2.063 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCCCc2ccccc2)n1 ZINC000822614972 606167675 /nfs/dbraw/zinc/16/76/75/606167675.db2.gz YHOQGNTZWPKHHN-UHFFFAOYSA-N -1 1 354.418 2.135 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCCCc2ccccc2)n1 ZINC000822614972 606167676 /nfs/dbraw/zinc/16/76/76/606167676.db2.gz YHOQGNTZWPKHHN-UHFFFAOYSA-N -1 1 354.418 2.135 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)n1 ZINC000822614609 606168870 /nfs/dbraw/zinc/16/88/70/606168870.db2.gz OOSBOQJMTYQQNZ-LLVKDONJSA-N -1 1 374.405 2.098 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)n1 ZINC000822614609 606168871 /nfs/dbraw/zinc/16/88/71/606168871.db2.gz OOSBOQJMTYQQNZ-LLVKDONJSA-N -1 1 374.405 2.098 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccco2)c2ccccc2)n1 ZINC000822609843 606170418 /nfs/dbraw/zinc/17/04/18/606170418.db2.gz WUGVJGXDKFODQW-CQSZACIVSA-N -1 1 364.369 2.104 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccco2)c2ccccc2)n1 ZINC000822609843 606170419 /nfs/dbraw/zinc/17/04/19/606170419.db2.gz WUGVJGXDKFODQW-CQSZACIVSA-N -1 1 364.369 2.104 20 0 FEADMM CC(C)(C)OC(=O)N1CC(C)(OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933149 606182898 /nfs/dbraw/zinc/18/28/98/606182898.db2.gz HVKAZGGWBPPBPM-UHFFFAOYSA-N -1 1 365.415 2.094 20 0 FEADMM CC(C)(C)OC(=O)N1CC(C)(OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933149 606182897 /nfs/dbraw/zinc/18/28/97/606182897.db2.gz HVKAZGGWBPPBPM-UHFFFAOYSA-N -1 1 365.415 2.094 20 0 FEADMM COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821639447 606188470 /nfs/dbraw/zinc/18/84/70/606188470.db2.gz ZBSUIKJPCQJZRV-HZMBPMFUSA-N -1 1 371.422 2.208 20 0 FEADMM COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821639447 606188471 /nfs/dbraw/zinc/18/84/71/606188471.db2.gz ZBSUIKJPCQJZRV-HZMBPMFUSA-N -1 1 371.422 2.208 20 0 FEADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820533216 606293930 /nfs/dbraw/zinc/29/39/30/606293930.db2.gz BXZRKQLNWDJXPS-LLVKDONJSA-N -1 1 365.393 2.467 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821970370 606299217 /nfs/dbraw/zinc/29/92/17/606299217.db2.gz MXCYIDZNILFVEO-IUCAKERBSA-N -1 1 362.459 2.244 20 0 FEADMM CC(C)n1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000810191385 674536309 /nfs/dbraw/zinc/53/63/09/674536309.db2.gz YYLDSQJEPZLNPA-NSHDSACASA-N -1 1 361.368 2.386 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCCSC1 ZINC000822535152 606364553 /nfs/dbraw/zinc/36/45/53/606364553.db2.gz IEHUUIUQOPYMAW-LLVKDONJSA-N -1 1 358.427 2.184 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCCSC1 ZINC000822535152 606364554 /nfs/dbraw/zinc/36/45/54/606364554.db2.gz IEHUUIUQOPYMAW-LLVKDONJSA-N -1 1 358.427 2.184 20 0 FEADMM OCCn1nc(-c2cccs2)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000823726496 606416913 /nfs/dbraw/zinc/41/69/13/606416913.db2.gz AGWCSHMMCTXZIJ-UHFFFAOYSA-N -1 1 373.467 2.458 20 0 FEADMM Cn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1ccco1 ZINC000822604302 606445340 /nfs/dbraw/zinc/44/53/40/606445340.db2.gz CANREMZUVNATDX-UHFFFAOYSA-N -1 1 360.790 2.455 20 0 FEADMM Cn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1ccco1 ZINC000822604302 606445342 /nfs/dbraw/zinc/44/53/42/606445342.db2.gz CANREMZUVNATDX-UHFFFAOYSA-N -1 1 360.790 2.455 20 0 FEADMM NC(=O)c1ccc(CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000822886053 606450874 /nfs/dbraw/zinc/45/08/74/606450874.db2.gz ZVTGHJBPIWNREO-UHFFFAOYSA-N -1 1 369.816 2.183 20 0 FEADMM NC(=O)c1ccc(CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000822886053 606450876 /nfs/dbraw/zinc/45/08/76/606450876.db2.gz ZVTGHJBPIWNREO-UHFFFAOYSA-N -1 1 369.816 2.183 20 0 FEADMM CCn1cnnc1-c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821566810 606511857 /nfs/dbraw/zinc/51/18/57/606511857.db2.gz VFQNOMGYGZPLSA-UHFFFAOYSA-N -1 1 366.410 2.459 20 0 FEADMM CCn1cnnc1-c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821566810 606511859 /nfs/dbraw/zinc/51/18/59/606511859.db2.gz VFQNOMGYGZPLSA-UHFFFAOYSA-N -1 1 366.410 2.459 20 0 FEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Br)cn1 ZINC000821573226 606512916 /nfs/dbraw/zinc/51/29/16/606512916.db2.gz GNTSGNKXNIMIJK-UHFFFAOYSA-N -1 1 365.216 2.362 20 0 FEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Br)cn1 ZINC000821573226 606512918 /nfs/dbraw/zinc/51/29/18/606512918.db2.gz GNTSGNKXNIMIJK-UHFFFAOYSA-N -1 1 365.216 2.362 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2)n[nH]1 ZINC000822418682 606517201 /nfs/dbraw/zinc/51/72/01/606517201.db2.gz DCONUHBIQMEADU-UHFFFAOYSA-N -1 1 352.383 2.274 20 0 FEADMM COc1ccccc1C1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821889552 606543276 /nfs/dbraw/zinc/54/32/76/606543276.db2.gz CISCUNCCZKREOF-UHFFFAOYSA-N -1 1 355.423 2.398 20 0 FEADMM COc1ccccc1C1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821889552 606543278 /nfs/dbraw/zinc/54/32/78/606543278.db2.gz CISCUNCCZKREOF-UHFFFAOYSA-N -1 1 355.423 2.398 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358679 606547282 /nfs/dbraw/zinc/54/72/82/606547282.db2.gz KBJGDACRXSGCKB-HUUCEWRRSA-N -1 1 358.446 2.318 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358679 606547284 /nfs/dbraw/zinc/54/72/84/606547284.db2.gz KBJGDACRXSGCKB-HUUCEWRRSA-N -1 1 358.446 2.318 20 0 FEADMM COc1ccc(COCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821825201 606547343 /nfs/dbraw/zinc/54/73/43/606547343.db2.gz URPBVYSFRQUVTC-UHFFFAOYSA-N -1 1 373.438 2.274 20 0 FEADMM COc1ccc(COCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821825201 606547345 /nfs/dbraw/zinc/54/73/45/606547345.db2.gz URPBVYSFRQUVTC-UHFFFAOYSA-N -1 1 373.438 2.274 20 0 FEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1 ZINC000819987733 606554417 /nfs/dbraw/zinc/55/44/17/606554417.db2.gz IZSOAVJUHLSYRR-UHFFFAOYSA-N -1 1 356.411 2.075 20 0 FEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccccc1 ZINC000819987733 606554418 /nfs/dbraw/zinc/55/44/18/606554418.db2.gz IZSOAVJUHLSYRR-UHFFFAOYSA-N -1 1 356.411 2.075 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820380657 606578929 /nfs/dbraw/zinc/57/89/29/606578929.db2.gz XYIBSHGLZDCQQW-ZETCQYMHSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820380657 606578931 /nfs/dbraw/zinc/57/89/31/606578931.db2.gz XYIBSHGLZDCQQW-ZETCQYMHSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820534557 606648476 /nfs/dbraw/zinc/64/84/76/606648476.db2.gz LLOIPLIFJRKKFR-LBPRGKRZSA-N -1 1 365.393 2.261 20 0 FEADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820534557 606648477 /nfs/dbraw/zinc/64/84/77/606648477.db2.gz LLOIPLIFJRKKFR-LBPRGKRZSA-N -1 1 365.393 2.261 20 0 FEADMM COc1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCCC2 ZINC000821850206 606826973 /nfs/dbraw/zinc/82/69/73/606826973.db2.gz ZBASONZDSORVKJ-UHFFFAOYSA-N -1 1 350.382 2.253 20 0 FEADMM COc1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCCC2 ZINC000821850206 606826974 /nfs/dbraw/zinc/82/69/74/606826974.db2.gz ZBASONZDSORVKJ-UHFFFAOYSA-N -1 1 350.382 2.253 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820594864 606844541 /nfs/dbraw/zinc/84/45/41/606844541.db2.gz DQFXMZFXRUOCAY-UHFFFAOYSA-N -1 1 353.423 2.207 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2sc(C)nc2C)cc1-c1nn[n-]n1 ZINC000821978875 606853659 /nfs/dbraw/zinc/85/36/59/606853659.db2.gz NLHBBTFRJJUTAZ-UHFFFAOYSA-N -1 1 363.428 2.015 20 0 FEADMM COC(=O)c1ccc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)s1 ZINC000821669226 606873355 /nfs/dbraw/zinc/87/33/55/606873355.db2.gz BCBIRXRMXHRTME-UHFFFAOYSA-N -1 1 362.440 2.414 20 0 FEADMM CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC000821043230 606879318 /nfs/dbraw/zinc/87/93/18/606879318.db2.gz NFCCQTCIBBQDGU-LLVKDONJSA-N -1 1 362.438 2.152 20 0 FEADMM CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC000821043230 606879319 /nfs/dbraw/zinc/87/93/19/606879319.db2.gz NFCCQTCIBBQDGU-LLVKDONJSA-N -1 1 362.438 2.152 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC2(C)C)cc1-c1nn[n-]n1 ZINC000821979625 606914658 /nfs/dbraw/zinc/91/46/58/606914658.db2.gz UNVRBFIEKIFUMD-NSHDSACASA-N -1 1 362.459 2.388 20 0 FEADMM O=C(OCCc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823410401 606930871 /nfs/dbraw/zinc/93/08/71/606930871.db2.gz VNKYFLCYIFIVMX-UHFFFAOYSA-N -1 1 358.379 2.099 20 0 FEADMM O=C(OCCc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823410401 606930872 /nfs/dbraw/zinc/93/08/72/606930872.db2.gz VNKYFLCYIFIVMX-UHFFFAOYSA-N -1 1 358.379 2.099 20 0 FEADMM CC[C@@]1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820949476 606938075 /nfs/dbraw/zinc/93/80/75/606938075.db2.gz AWNMURSJJIXTPD-AWEZNQCLSA-N -1 1 355.851 2.331 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1csc(Br)c1 ZINC000823383672 607024514 /nfs/dbraw/zinc/02/45/14/607024514.db2.gz XDIJSTQKRZMZPN-UHFFFAOYSA-N -1 1 357.218 2.400 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1csc(Br)c1 ZINC000823383672 607024515 /nfs/dbraw/zinc/02/45/15/607024515.db2.gz XDIJSTQKRZMZPN-UHFFFAOYSA-N -1 1 357.218 2.400 20 0 FEADMM O[C@@H](C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC000823675228 607034324 /nfs/dbraw/zinc/03/43/24/607034324.db2.gz VPACUXBLHALVQD-NSHDSACASA-N -1 1 362.743 2.055 20 0 FEADMM O[C@@H](C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC000823675228 607034325 /nfs/dbraw/zinc/03/43/25/607034325.db2.gz VPACUXBLHALVQD-NSHDSACASA-N -1 1 362.743 2.055 20 0 FEADMM C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727560 607047085 /nfs/dbraw/zinc/04/70/85/607047085.db2.gz MRBLPEKHISDLSC-RKDXNWHRSA-N -1 1 350.839 2.261 20 0 FEADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820728266 607047725 /nfs/dbraw/zinc/04/77/25/607047725.db2.gz UKCNTLDRWQKNMP-WFASDCNBSA-N -1 1 361.413 2.094 20 0 FEADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820728266 607047727 /nfs/dbraw/zinc/04/77/27/607047727.db2.gz UKCNTLDRWQKNMP-WFASDCNBSA-N -1 1 361.413 2.094 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1coc(-c2c(F)cccc2F)n1 ZINC000826501576 607784299 /nfs/dbraw/zinc/78/42/99/607784299.db2.gz WPAMFNCYABPQGT-UHFFFAOYSA-N -1 1 356.292 2.010 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@H](C2CCOCC2)C1 ZINC000826522855 607851682 /nfs/dbraw/zinc/85/16/82/607851682.db2.gz RCVABERJIBACPW-ZDUSSCGKSA-N -1 1 351.414 2.063 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@H](C2CCOCC2)C1 ZINC000826522855 607851683 /nfs/dbraw/zinc/85/16/83/607851683.db2.gz RCVABERJIBACPW-ZDUSSCGKSA-N -1 1 351.414 2.063 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCCc1ccccc1 ZINC000826418491 607866438 /nfs/dbraw/zinc/86/64/38/607866438.db2.gz JEVPMHCWDSBQRO-UHFFFAOYSA-N -1 1 355.373 2.134 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCCc1ccccc1 ZINC000826418491 607866439 /nfs/dbraw/zinc/86/64/39/607866439.db2.gz JEVPMHCWDSBQRO-UHFFFAOYSA-N -1 1 355.373 2.134 20 0 FEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826293077 607867619 /nfs/dbraw/zinc/86/76/19/607867619.db2.gz ZQYIDUKCUNJBMW-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826293077 607867620 /nfs/dbraw/zinc/86/76/20/607867620.db2.gz ZQYIDUKCUNJBMW-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc2cccnc21 ZINC000826493554 607868046 /nfs/dbraw/zinc/86/80/46/607868046.db2.gz QLGFVFIKWBGHFJ-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc2cccnc21 ZINC000826493554 607868047 /nfs/dbraw/zinc/86/80/47/607868047.db2.gz QLGFVFIKWBGHFJ-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM Cc1cc(C)cc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826264080 607874863 /nfs/dbraw/zinc/87/48/63/607874863.db2.gz BFBAEFPRFNKIGN-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1cc(C)cc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826264080 607874864 /nfs/dbraw/zinc/87/48/64/607874864.db2.gz BFBAEFPRFNKIGN-ZDUSSCGKSA-N -1 1 358.373 2.441 20 0 FEADMM CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccccn1 ZINC000825796571 607902065 /nfs/dbraw/zinc/90/20/65/607902065.db2.gz IDKNDXXZRWPDPK-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccccn1 ZINC000825796571 607902066 /nfs/dbraw/zinc/90/20/66/607902066.db2.gz IDKNDXXZRWPDPK-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([S@@](C)=O)cc1 ZINC000824513256 607910337 /nfs/dbraw/zinc/91/03/37/607910337.db2.gz ALDRTPGXEKWYFF-UZKFNYRNSA-N -1 1 361.452 2.157 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc([S@@](C)=O)cc1 ZINC000824513256 607910338 /nfs/dbraw/zinc/91/03/38/607910338.db2.gz ALDRTPGXEKWYFF-UZKFNYRNSA-N -1 1 361.452 2.157 20 0 FEADMM CC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209973 607934680 /nfs/dbraw/zinc/93/46/80/607934680.db2.gz DKTZVAIFZXYZPC-QWHCGFSZSA-N -1 1 373.461 2.391 20 0 FEADMM CC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209973 607934681 /nfs/dbraw/zinc/93/46/81/607934681.db2.gz DKTZVAIFZXYZPC-QWHCGFSZSA-N -1 1 373.461 2.391 20 0 FEADMM CCOC(=O)CN(Cc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825517403 607987052 /nfs/dbraw/zinc/98/70/52/607987052.db2.gz CFLGVNSDRIMCFR-UHFFFAOYSA-N -1 1 372.816 2.485 20 0 FEADMM CCOC(=O)CN(Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825517403 607987053 /nfs/dbraw/zinc/98/70/53/607987053.db2.gz CFLGVNSDRIMCFR-UHFFFAOYSA-N -1 1 372.816 2.485 20 0 FEADMM O=C(Cc1cc(-c2ccccc2)on1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826421722 607998238 /nfs/dbraw/zinc/99/82/38/607998238.db2.gz WAUFHZXOFZNDGO-UHFFFAOYSA-N -1 1 362.349 2.409 20 0 FEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000824480321 608013440 /nfs/dbraw/zinc/01/34/40/608013440.db2.gz VOJQXDDUMMPNFP-MRVPVSSYSA-N -1 1 366.212 2.247 20 0 FEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000824480321 608013441 /nfs/dbraw/zinc/01/34/41/608013441.db2.gz VOJQXDDUMMPNFP-MRVPVSSYSA-N -1 1 366.212 2.247 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1Oc1ccccc1 ZINC000826424940 608013789 /nfs/dbraw/zinc/01/37/89/608013789.db2.gz JIDIFMZMFLPUPL-UHFFFAOYSA-N -1 1 361.365 2.494 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1Oc1ccccc1 ZINC000826424940 608013790 /nfs/dbraw/zinc/01/37/90/608013790.db2.gz JIDIFMZMFLPUPL-UHFFFAOYSA-N -1 1 361.365 2.494 20 0 FEADMM Clc1ccc(N2CC[C@H](OCc3ccccn3)C2)nc1-c1nnn[n-]1 ZINC000826352142 608016247 /nfs/dbraw/zinc/01/62/47/608016247.db2.gz PCBVHBDXQMSOQC-LBPRGKRZSA-N -1 1 357.805 2.106 20 0 FEADMM Clc1ccc(N2CC[C@H](OCc3ccccn3)C2)nc1-c1nn[n-]n1 ZINC000826352142 608016248 /nfs/dbraw/zinc/01/62/48/608016248.db2.gz PCBVHBDXQMSOQC-LBPRGKRZSA-N -1 1 357.805 2.106 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000826340585 608030616 /nfs/dbraw/zinc/03/06/16/608030616.db2.gz DHBWVPQKXZHMBY-JTQLQIEISA-N -1 1 351.370 2.378 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000826340585 608030617 /nfs/dbraw/zinc/03/06/17/608030617.db2.gz DHBWVPQKXZHMBY-JTQLQIEISA-N -1 1 351.370 2.378 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc([C@@H]2CCOC2)c1 ZINC000826451045 608075953 /nfs/dbraw/zinc/07/59/53/608075953.db2.gz NHEFUJMFZQGICE-CQSZACIVSA-N -1 1 351.366 2.329 20 0 FEADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000826430140 608102045 /nfs/dbraw/zinc/10/20/45/608102045.db2.gz VCZZKRGJGKHNAN-SOCHQFKDSA-N -1 1 353.498 2.038 20 0 FEADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000826430140 608102046 /nfs/dbraw/zinc/10/20/46/608102046.db2.gz VCZZKRGJGKHNAN-SOCHQFKDSA-N -1 1 353.498 2.038 20 0 FEADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824422110 608187063 /nfs/dbraw/zinc/18/70/63/608187063.db2.gz WSXDZOOJDQBQOG-ZETCQYMHSA-N -1 1 373.870 2.326 20 0 FEADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824422110 608187065 /nfs/dbraw/zinc/18/70/65/608187065.db2.gz WSXDZOOJDQBQOG-ZETCQYMHSA-N -1 1 373.870 2.326 20 0 FEADMM CON(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCOc2ccccc21 ZINC000826166678 608187218 /nfs/dbraw/zinc/18/72/18/608187218.db2.gz WFJABXPTABWCSQ-OAHLLOKOSA-N -1 1 366.381 2.179 20 0 FEADMM CON(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCOc2ccccc21 ZINC000826166678 608187219 /nfs/dbraw/zinc/18/72/19/608187219.db2.gz WFJABXPTABWCSQ-OAHLLOKOSA-N -1 1 366.381 2.179 20 0 FEADMM CSc1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)ccn1 ZINC000826230546 608326173 /nfs/dbraw/zinc/32/61/73/608326173.db2.gz YHOVNMXPWXWOBG-UHFFFAOYSA-N -1 1 362.440 2.093 20 0 FEADMM COCCc1nc(C)c([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000826163536 608333187 /nfs/dbraw/zinc/33/31/87/608333187.db2.gz YOGNUGQYGJRTJM-JTQLQIEISA-N -1 1 374.426 2.134 20 0 FEADMM COCCc1nc(C)c([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000826163536 608333189 /nfs/dbraw/zinc/33/31/89/608333189.db2.gz YOGNUGQYGJRTJM-JTQLQIEISA-N -1 1 374.426 2.134 20 0 FEADMM CC(C)(C)c1cc(NC(=O)CN2CCSC2=O)c(-c2nn[n-]n2)s1 ZINC000824131345 608348282 /nfs/dbraw/zinc/34/82/82/608348282.db2.gz ZDDJHRLYUABWTP-UHFFFAOYSA-N -1 1 366.472 2.333 20 0 FEADMM CC(C)(C)c1cc(NC(=O)CN2CCSC2=O)c(-c2nnn[n-]2)s1 ZINC000824131345 608348280 /nfs/dbraw/zinc/34/82/80/608348280.db2.gz ZDDJHRLYUABWTP-UHFFFAOYSA-N -1 1 366.472 2.333 20 0 FEADMM Cc1cc(C)cc(-c2nnc(Sc3ccc(-c4nnn[n-]4)nn3)o2)c1 ZINC000826263859 608393724 /nfs/dbraw/zinc/39/37/24/608393724.db2.gz SUCAVIDWOIPGLS-UHFFFAOYSA-N -1 1 352.383 2.475 20 0 FEADMM Cc1cc(C)cc(-c2nnc(Sc3ccc(-c4nn[n-]n4)nn3)o2)c1 ZINC000826263859 608393725 /nfs/dbraw/zinc/39/37/25/608393725.db2.gz SUCAVIDWOIPGLS-UHFFFAOYSA-N -1 1 352.383 2.475 20 0 FEADMM CN(Cc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825953933 608399911 /nfs/dbraw/zinc/39/99/11/608399911.db2.gz RYPQCPPKWUQCSY-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CN(Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825953933 608399913 /nfs/dbraw/zinc/39/99/13/608399913.db2.gz RYPQCPPKWUQCSY-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826268618 608420387 /nfs/dbraw/zinc/42/03/87/608420387.db2.gz GKDRBKFNMYTNBA-CYBMUJFWSA-N -1 1 354.393 2.185 20 0 FEADMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826268618 608420389 /nfs/dbraw/zinc/42/03/89/608420389.db2.gz GKDRBKFNMYTNBA-CYBMUJFWSA-N -1 1 354.393 2.185 20 0 FEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000824649414 608427252 /nfs/dbraw/zinc/42/72/52/608427252.db2.gz LSRNNXHLMNAXLE-CPFSXVBKSA-N -1 1 366.212 2.498 20 0 FEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](O)c1c(Cl)cccc1Cl ZINC000824649414 608427254 /nfs/dbraw/zinc/42/72/54/608427254.db2.gz LSRNNXHLMNAXLE-CPFSXVBKSA-N -1 1 366.212 2.498 20 0 FEADMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)CO2)c1 ZINC000826284731 608429488 /nfs/dbraw/zinc/42/94/88/608429488.db2.gz CTPHDXSKPFRJBB-XJKSGUPXSA-N -1 1 351.414 2.240 20 0 FEADMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)CO2)c1 ZINC000826284731 608429490 /nfs/dbraw/zinc/42/94/90/608429490.db2.gz CTPHDXSKPFRJBB-XJKSGUPXSA-N -1 1 351.414 2.240 20 0 FEADMM Cn1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC000826365833 608458795 /nfs/dbraw/zinc/45/87/95/608458795.db2.gz GEFRFQGGUIOFPQ-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM Cn1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC000826365833 608458796 /nfs/dbraw/zinc/45/87/96/608458796.db2.gz GEFRFQGGUIOFPQ-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM CO[C@H]1CCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826146298 608473671 /nfs/dbraw/zinc/47/36/71/608473671.db2.gz SWUBQAHORUWMJV-STQMWFEESA-N -1 1 370.413 2.104 20 0 FEADMM CO[C@H]1CCC[C@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826146298 608473672 /nfs/dbraw/zinc/47/36/72/608473672.db2.gz SWUBQAHORUWMJV-STQMWFEESA-N -1 1 370.413 2.104 20 0 FEADMM CSc1ccccc1NC(=O)CN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826231732 608501518 /nfs/dbraw/zinc/50/15/18/608501518.db2.gz XQMMZYZKCHXYAS-UHFFFAOYSA-N -1 1 358.427 2.252 20 0 FEADMM CSc1ccccc1NC(=O)CN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826231732 608501519 /nfs/dbraw/zinc/50/15/19/608501519.db2.gz XQMMZYZKCHXYAS-UHFFFAOYSA-N -1 1 358.427 2.252 20 0 FEADMM COc1ccc(-n2ccc(CNc3nc(-c4nn[n-]n4)ccc3C)n2)cc1 ZINC000826186833 608544486 /nfs/dbraw/zinc/54/44/86/608544486.db2.gz MGMOYEFERJJGDP-UHFFFAOYSA-N -1 1 362.397 2.377 20 0 FEADMM O[C@@]1(c2ccc(F)cc2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826506610 609168936 /nfs/dbraw/zinc/16/89/36/609168936.db2.gz XXSOVOKLSLNKIS-AWEZNQCLSA-N -1 1 366.809 2.214 20 0 FEADMM O[C@@]1(c2ccc(F)cc2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826506610 609168937 /nfs/dbraw/zinc/16/89/37/609168937.db2.gz XXSOVOKLSLNKIS-AWEZNQCLSA-N -1 1 366.809 2.214 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC000826344889 609267242 /nfs/dbraw/zinc/26/72/42/609267242.db2.gz VRVTYBWUWNLBEW-BOLDSZDNSA-N -1 1 364.409 2.410 20 0 FEADMM Cc1onc(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000826344889 609267243 /nfs/dbraw/zinc/26/72/43/609267243.db2.gz VRVTYBWUWNLBEW-BOLDSZDNSA-N -1 1 364.409 2.410 20 0 FEADMM CC[C@H]1CC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000825184391 609289001 /nfs/dbraw/zinc/28/90/01/609289001.db2.gz TUKVQIDDAXBPBZ-GXFFZTMASA-N -1 1 371.376 2.088 20 0 FEADMM CC1(C)CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824807127 609355307 /nfs/dbraw/zinc/35/53/07/609355307.db2.gz FHPFNLWVEPGQOR-UHFFFAOYSA-N -1 1 370.392 2.455 20 0 FEADMM CCc1nn(CCCc2cccc(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762745 609418223 /nfs/dbraw/zinc/41/82/23/609418223.db2.gz HPAXTDHVMHWOFD-UHFFFAOYSA-N -1 1 356.405 2.320 20 0 FEADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824113687 609587369 /nfs/dbraw/zinc/58/73/69/609587369.db2.gz AGRBZLVXBTWNBU-CQSZACIVSA-N -1 1 367.413 2.022 20 0 FEADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824113687 609587370 /nfs/dbraw/zinc/58/73/70/609587370.db2.gz AGRBZLVXBTWNBU-CQSZACIVSA-N -1 1 367.413 2.022 20 0 FEADMM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1ccc(Br)o1 ZINC000560072868 674566682 /nfs/dbraw/zinc/56/66/82/674566682.db2.gz PLDNYKZNSQIHAZ-UHFFFAOYSA-N -1 1 360.233 2.053 20 0 FEADMM CC(=O)c1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000810903195 674567746 /nfs/dbraw/zinc/56/77/46/674567746.db2.gz PFDCAKZNOIMEPV-SNVBAGLBSA-N -1 1 362.373 2.481 20 0 FEADMM CCc1ccccc1OCCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000560619706 674604321 /nfs/dbraw/zinc/60/43/21/674604321.db2.gz HWKJOPMBGMSZCW-UHFFFAOYSA-N -1 1 364.423 2.010 20 0 FEADMM O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)c([O-])c1 ZINC000811570168 674614520 /nfs/dbraw/zinc/61/45/20/674614520.db2.gz FNUQOYOOZHYLLV-DOMZBBRYSA-N -1 1 364.195 2.379 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c1 ZINC000811700889 674620978 /nfs/dbraw/zinc/62/09/78/674620978.db2.gz IMNHXEAZOYVXSN-LLVKDONJSA-N -1 1 367.398 2.395 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)C=Cc1ccccc1F ZINC000811834812 674632663 /nfs/dbraw/zinc/63/26/63/674632663.db2.gz GANNAMPCFKSFER-NTMALXAHSA-N -1 1 350.371 2.232 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2Cl)OC)o1 ZINC000812428428 674674894 /nfs/dbraw/zinc/67/48/94/674674894.db2.gz SXWYOOBOCNVTOR-UHFFFAOYSA-N -1 1 358.803 2.045 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1Br ZINC000561997544 674714151 /nfs/dbraw/zinc/71/41/51/674714151.db2.gz NGPIOJYFDDHLTF-QMMMGPOBSA-N -1 1 374.260 2.237 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)c(F)c1F ZINC000813194312 674726634 /nfs/dbraw/zinc/72/66/34/674726634.db2.gz VXPAPPFJYLRFOL-UHFFFAOYSA-N -1 1 351.334 2.268 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2cccnc2C2CC2)C1)C(F)(F)F ZINC000813283269 674733513 /nfs/dbraw/zinc/73/35/13/674733513.db2.gz NARWWTRNWRPEDZ-LLVKDONJSA-N -1 1 355.360 2.490 20 0 FEADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(Cc2cccs2)CCCCC1 ZINC000813445528 674745843 /nfs/dbraw/zinc/74/58/43/674745843.db2.gz ZHJNUMZAROAXQK-CQSZACIVSA-N -1 1 361.471 2.354 20 0 FEADMM Cc1nc([C@](C)([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C2CC2)no1 ZINC000562406224 674751933 /nfs/dbraw/zinc/75/19/33/674751933.db2.gz HHGNJSLBHSKAEP-CQSZACIVSA-N -1 1 361.345 2.399 20 0 FEADMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)o1 ZINC000813766047 674778627 /nfs/dbraw/zinc/77/86/27/674778627.db2.gz SHYALRKIVDWKGT-UHFFFAOYSA-N -1 1 374.365 2.089 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC/C=C\Br)o1 ZINC000813929466 674794729 /nfs/dbraw/zinc/79/47/29/674794729.db2.gz UAVUVUJYTGCXHS-DAXSKMNVSA-N -1 1 366.233 2.422 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2cc(Cl)ccc2F)C(=O)[N-]C1=S ZINC000814360213 674833616 /nfs/dbraw/zinc/83/36/16/674833616.db2.gz HXKAFSPRRGHHHD-XYOKQWHBSA-N -1 1 371.821 2.055 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](N3CCCC3=O)C2)c(F)c1 ZINC000563436183 674887993 /nfs/dbraw/zinc/88/79/93/674887993.db2.gz GPCDMPNJAMKSGY-OLZOCXBDSA-N -1 1 372.437 2.485 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000563602032 674914687 /nfs/dbraw/zinc/91/46/87/674914687.db2.gz JFHZJXXFGVOOTE-WCQYABFASA-N -1 1 363.357 2.203 20 0 FEADMM CC[C@H](C)c1nc([C@H](C)NC(=O)N=c2nc([C@H](C)OC)[n-]s2)n[nH]1 ZINC000564374236 675003872 /nfs/dbraw/zinc/00/38/72/675003872.db2.gz XLZBLSSJNOUICZ-CIUDSAMLSA-N -1 1 353.452 2.182 20 0 FEADMM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000564414024 675014103 /nfs/dbraw/zinc/01/41/03/675014103.db2.gz GAGDDGIVKXTEKA-UHFFFAOYSA-N -1 1 368.249 2.442 20 0 FEADMM COC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000007330325 669967821 /nfs/dbraw/zinc/96/78/21/669967821.db2.gz LFXQDEXNWPNPRW-GFCCVEGCSA-N -1 1 363.391 2.206 20 0 FEADMM CCC(Nc1ccccc1Cl)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009770658 669984902 /nfs/dbraw/zinc/98/49/02/669984902.db2.gz HANPKVNGJCQHOC-QBFSEMIESA-N -1 1 367.858 2.306 20 0 FEADMM CCC(Nc1ccccc1OCC(F)(F)F)=C1C(=O)[N-]C(=S)NC1=O ZINC000010352879 669987235 /nfs/dbraw/zinc/98/72/35/669987235.db2.gz UWCWEEPGCMBXFO-UHFFFAOYSA-N -1 1 373.356 2.235 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc(OC)c1 ZINC000012647774 670002931 /nfs/dbraw/zinc/00/29/31/670002931.db2.gz DVBMIDVZFFFTLP-UHFFFAOYSA-N -1 1 362.407 2.024 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000016130095 670015613 /nfs/dbraw/zinc/01/56/13/670015613.db2.gz JMFQRWUXJCZMQH-UHFFFAOYSA-N -1 1 371.302 2.452 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000016725757 670021588 /nfs/dbraw/zinc/02/15/88/670021588.db2.gz FWIVETMTRFCPFY-UHFFFAOYSA-N -1 1 355.213 2.349 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccccn2)cc1 ZINC000017167926 670023381 /nfs/dbraw/zinc/02/33/81/670023381.db2.gz DELNZOGLYOFOPL-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM COCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000023446069 670048919 /nfs/dbraw/zinc/04/89/19/670048919.db2.gz DPHUOVKDINQXKR-UHFFFAOYSA-N -1 1 365.407 2.299 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c(C)c1 ZINC000029044574 670095016 /nfs/dbraw/zinc/09/50/16/670095016.db2.gz XNACYWNHUVXKBB-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c1Cl ZINC000045799323 670209422 /nfs/dbraw/zinc/20/94/22/670209422.db2.gz AFHQSLFMZFFSND-UHFFFAOYSA-N -1 1 358.832 2.269 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(C(C)C)cc2)o1 ZINC000046316010 670220672 /nfs/dbraw/zinc/22/06/72/670220672.db2.gz FZYPHOOVLLKWNX-UHFFFAOYSA-N -1 1 365.407 2.351 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000047251274 670237062 /nfs/dbraw/zinc/23/70/62/670237062.db2.gz QHFOQXKRWKRRJB-UHFFFAOYSA-N -1 1 369.468 2.226 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)NCC(C)C ZINC000052171100 670309509 /nfs/dbraw/zinc/30/95/09/670309509.db2.gz PSGFTJVOZIOOIH-CYBMUJFWSA-N -1 1 370.471 2.156 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000054189482 670333452 /nfs/dbraw/zinc/33/34/52/670333452.db2.gz CLFCTWBJWQYLIX-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1 ZINC000054294242 670334536 /nfs/dbraw/zinc/33/45/36/670334536.db2.gz YOLNIGXDFQNVMH-UHFFFAOYSA-N -1 1 359.359 2.380 20 0 FEADMM COCc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055220142 670347932 /nfs/dbraw/zinc/34/79/32/670347932.db2.gz UKJLKGKQJIXMOU-UHFFFAOYSA-N -1 1 350.396 2.162 20 0 FEADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000057119623 670366572 /nfs/dbraw/zinc/36/65/72/670366572.db2.gz KCVDFKUMJKNTRL-UHFFFAOYSA-N -1 1 356.407 2.491 20 0 FEADMM CCCC(=O)N1CCCC[C@H]1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067073560 670452412 /nfs/dbraw/zinc/45/24/12/670452412.db2.gz LAJFOMAKCSKESF-ZDUSSCGKSA-N -1 1 367.519 2.361 20 0 FEADMM C[C@H](O)[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)OCc1ccccc1 ZINC000817240978 675112930 /nfs/dbraw/zinc/11/29/30/675112930.db2.gz AIRNUIWUPFLJEW-ZBEGNZNMSA-N -1 1 363.797 2.268 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1C(=O)[O-] ZINC000565366297 675115216 /nfs/dbraw/zinc/11/52/16/675115216.db2.gz CHABTDFSMWRBPL-PSLIRLAXSA-N -1 1 372.874 2.108 20 0 FEADMM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000076936345 670557057 /nfs/dbraw/zinc/55/70/57/670557057.db2.gz OSHPFBDABRWCEQ-CYBMUJFWSA-N -1 1 356.419 2.263 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(C)no2)cc1 ZINC000079642032 670609054 /nfs/dbraw/zinc/60/90/54/670609054.db2.gz WTRKCTYAKVRMPD-UHFFFAOYSA-N -1 1 360.399 2.337 20 0 FEADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCc1ccon1 ZINC000083159200 670655506 /nfs/dbraw/zinc/65/55/06/670655506.db2.gz SVGDMKVXGAFULT-UHFFFAOYSA-N -1 1 357.395 2.251 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(C)C ZINC000096876607 670761458 /nfs/dbraw/zinc/76/14/58/670761458.db2.gz PRTIVOOBWANMGF-SECBINFHSA-N -1 1 371.684 2.447 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@]1(CO)CCCO1)c1cc(Cl)ccc1F ZINC000565612295 675136563 /nfs/dbraw/zinc/13/65/63/675136563.db2.gz IFWZLZKRDWAOLZ-HUUCEWRRSA-N -1 1 363.838 2.078 20 0 FEADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ncccc2Br)cn1 ZINC000570768250 670766008 /nfs/dbraw/zinc/76/60/08/670766008.db2.gz LTGSEZNQYDQGIZ-UHFFFAOYSA-N -1 1 357.233 2.106 20 0 FEADMM CO[C@H](C)CCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489537 675137815 /nfs/dbraw/zinc/13/78/15/675137815.db2.gz CWLXFVQVMRGBEC-DGCLKSJQSA-N -1 1 358.360 2.438 20 0 FEADMM CC(C)(C)OC(=O)NCCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000103496888 670784491 /nfs/dbraw/zinc/78/44/91/670784491.db2.gz NRZIURUKNFRGFZ-UHFFFAOYSA-N -1 1 350.387 2.158 20 0 FEADMM CN1CC[C@@H](CNC(=O)C2(C(=O)[O-])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571169763 670828953 /nfs/dbraw/zinc/82/89/53/670828953.db2.gz OAOGXIHAOITEIV-SMDDNHRTSA-N -1 1 354.809 2.453 20 0 FEADMM O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cccc2cn[nH]c21 ZINC000109415196 670842153 /nfs/dbraw/zinc/84/21/53/670842153.db2.gz LREZHGSYTLSWNM-UHFFFAOYSA-N -1 1 352.375 2.230 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(C2OCCO2)CC1 ZINC000110435209 670849163 /nfs/dbraw/zinc/84/91/63/670849163.db2.gz MVTBQBNXPWIORT-UHFFFAOYSA-N -1 1 356.216 2.380 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(O)c1F)c1ccccc1 ZINC000571904097 670938471 /nfs/dbraw/zinc/93/84/71/670938471.db2.gz FNEJZSLMBJEBHF-LBPRGKRZSA-N -1 1 353.371 2.230 20 0 FEADMM Cc1cccc(-c2cnc(NC(=O)c3cc(=O)n4[n-]cnc4n3)s2)c1 ZINC000572188650 670971174 /nfs/dbraw/zinc/97/11/74/670971174.db2.gz WDFKMCCFNCNGLF-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM CCC[C@H](O)CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817675525 675160247 /nfs/dbraw/zinc/16/02/47/675160247.db2.gz QOPOIHLJPKZPMF-STQMWFEESA-N -1 1 358.360 2.174 20 0 FEADMM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C2(CCC2)N1 ZINC000572573279 671018139 /nfs/dbraw/zinc/01/81/39/671018139.db2.gz VSRINOOWVOPTGE-CYBMUJFWSA-N -1 1 352.387 2.052 20 0 FEADMM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)CCc1cccs1 ZINC000572688820 671032453 /nfs/dbraw/zinc/03/24/53/671032453.db2.gz BHJIETUBOJOBRC-UHFFFAOYSA-N -1 1 363.258 2.183 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000572926632 671060425 /nfs/dbraw/zinc/06/04/25/671060425.db2.gz FCAUHGUYOKNKOS-YFKFIEJBSA-N -1 1 363.266 2.186 20 0 FEADMM COc1cc(NC(=O)NCc2ccc(C)cn2)ccc1[N-]S(C)(=O)=O ZINC000573561386 671137238 /nfs/dbraw/zinc/13/72/38/671137238.db2.gz DUKYUDGUVFZMDB-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OC ZINC000573840028 671170994 /nfs/dbraw/zinc/17/09/94/671170994.db2.gz KLSAMBMNMJBUGG-WCQYABFASA-N -1 1 360.476 2.369 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NCCN(C)Cc2ccc(F)cc2)s[n-]1 ZINC000575240018 671307345 /nfs/dbraw/zinc/30/73/45/671307345.db2.gz HGDOVAKLNCNVAI-LLVKDONJSA-N -1 1 367.450 2.060 20 0 FEADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000576330787 671360877 /nfs/dbraw/zinc/36/08/77/671360877.db2.gz OABLRHFQLAQRCD-QGZVFWFLSA-N -1 1 363.435 2.404 20 0 FEADMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000577129213 671418723 /nfs/dbraw/zinc/41/87/23/671418723.db2.gz YNVJDVIYBBJZRQ-UHFFFAOYSA-N -1 1 371.344 2.474 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)CC(CC)CC)Cc2ccccc2C1 ZINC000609597258 675928143 /nfs/dbraw/zinc/92/81/43/675928143.db2.gz KCULFJLEVILCOP-UHFFFAOYSA-N -1 1 353.484 2.443 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)COc2ccsc2)n[n-]1 ZINC000579367960 671731058 /nfs/dbraw/zinc/73/10/58/671731058.db2.gz NBBSUDGDZLSSJM-LBPRGKRZSA-N -1 1 366.443 2.325 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)COc2ccsc2)[n-]1 ZINC000579367960 671731061 /nfs/dbraw/zinc/73/10/61/671731061.db2.gz NBBSUDGDZLSSJM-LBPRGKRZSA-N -1 1 366.443 2.325 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)COc2ccsc2)n1 ZINC000579367960 671731064 /nfs/dbraw/zinc/73/10/64/671731064.db2.gz NBBSUDGDZLSSJM-LBPRGKRZSA-N -1 1 366.443 2.325 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000579715561 671755622 /nfs/dbraw/zinc/75/56/22/671755622.db2.gz CUOZZEWFCOWSIM-JTQLQIEISA-N -1 1 363.464 2.496 20 0 FEADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cncc(C(=O)OC)c1)C(F)(F)F ZINC000580394516 671803102 /nfs/dbraw/zinc/80/31/02/671803102.db2.gz BFTNACKVZDPDTC-LDYMZIIASA-N -1 1 354.350 2.124 20 0 FEADMM CSCCN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000581281685 671881353 /nfs/dbraw/zinc/88/13/53/671881353.db2.gz KFLNPNLFLMETBK-UHFFFAOYSA-N -1 1 371.311 2.093 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000119005086 671890637 /nfs/dbraw/zinc/89/06/37/671890637.db2.gz KKCJNBFUJPNPAP-UKRRQHHQSA-N -1 1 374.853 2.287 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cccc(Cl)c1Cl ZINC000119251256 671895180 /nfs/dbraw/zinc/89/51/80/671895180.db2.gz BRHVHKSASJCCCL-UHFFFAOYSA-N -1 1 367.192 2.432 20 0 FEADMM Cc1cscc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000581445187 671897797 /nfs/dbraw/zinc/89/77/97/671897797.db2.gz QFGYTMSBVMLJKX-UHFFFAOYSA-N -1 1 352.437 2.455 20 0 FEADMM CN(C[C@H]1CCS(=O)(=O)C1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000581494439 671903552 /nfs/dbraw/zinc/90/35/52/671903552.db2.gz NEWWPKUNDDTNKR-NOZJJQNGSA-N -1 1 366.266 2.486 20 0 FEADMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000120104746 671916944 /nfs/dbraw/zinc/91/69/44/671916944.db2.gz YPSBYRFQJPCVQF-QMMMGPOBSA-N -1 1 370.290 2.377 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)nc1C ZINC000581644606 671921160 /nfs/dbraw/zinc/92/11/60/671921160.db2.gz BWQIIMNTARPPKD-HNNXBMFYSA-N -1 1 364.471 2.397 20 0 FEADMM O=C(CNC(=O)CC1CCCC1)Nc1nc(Br)ccc1[O-] ZINC000121556787 671952183 /nfs/dbraw/zinc/95/21/83/671952183.db2.gz WEUYJVNJLPJQPU-UHFFFAOYSA-N -1 1 356.220 2.185 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc(F)c1F ZINC000121827024 671958346 /nfs/dbraw/zinc/95/83/46/671958346.db2.gz SUDSLYJYLWUANV-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM C[C@H](CCO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000125839131 672017416 /nfs/dbraw/zinc/01/74/16/672017416.db2.gz ONJYIUNPTKOXHB-GFCCVEGCSA-N -1 1 366.414 2.127 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)cc2F)[nH]n1 ZINC000126475760 672024990 /nfs/dbraw/zinc/02/49/90/672024990.db2.gz HOJWBDUVPZKFRO-UHFFFAOYSA-N -1 1 358.370 2.400 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1cccc[n+]1[O-])c1nc(C)cs1 ZINC000126922864 672030232 /nfs/dbraw/zinc/03/02/32/672030232.db2.gz KQUUJISAIBBVSO-ZDUSSCGKSA-N -1 1 352.437 2.093 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC1CC(C(F)(F)F)C1 ZINC000583773641 672124877 /nfs/dbraw/zinc/12/48/77/672124877.db2.gz GLFFFQNOIAIMSP-UHFFFAOYSA-N -1 1 356.348 2.441 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)o1 ZINC000610591690 675983488 /nfs/dbraw/zinc/98/34/88/675983488.db2.gz LVCXJMUVKKRBAF-UHFFFAOYSA-N -1 1 367.276 2.101 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1)c1ccccc1F ZINC000610702964 675990430 /nfs/dbraw/zinc/99/04/30/675990430.db2.gz SWEOPESMZFRIEU-INIZCTEOSA-N -1 1 351.399 2.202 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCCc2ccc(-c3ccccc3)cc2)s1 ZINC000168343070 672320759 /nfs/dbraw/zinc/32/07/59/672320759.db2.gz FFKPQCJEECZLGE-MRXNPFEDSA-N -1 1 353.447 2.359 20 0 FEADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cccc(Cl)c2[O-])C1 ZINC000180012774 672407887 /nfs/dbraw/zinc/40/78/87/672407887.db2.gz XLTWANVDVPVGQN-CQSZACIVSA-N -1 1 368.861 2.279 20 0 FEADMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]N=c2nc(C)cc(C)[nH]2)c1 ZINC000180120506 672409162 /nfs/dbraw/zinc/40/91/62/672409162.db2.gz XGTHATKIGHYJDJ-UHFFFAOYSA-N -1 1 371.806 2.269 20 0 FEADMM COc1ccc(C(=O)[N-]NC(=O)c2cc(C)oc2C)nc1Br ZINC000180479162 672414266 /nfs/dbraw/zinc/41/42/66/672414266.db2.gz FVULGWSOVXUSLL-UHFFFAOYSA-N -1 1 368.187 2.137 20 0 FEADMM Cc1ccc(OCCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000679114185 672467049 /nfs/dbraw/zinc/46/70/49/672467049.db2.gz RNNPSZDPFHWJBT-UHFFFAOYSA-N -1 1 364.423 2.146 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)c(F)c1 ZINC000588683526 672472289 /nfs/dbraw/zinc/47/22/89/672472289.db2.gz UOPWGJSXWQJCNR-ZETCQYMHSA-N -1 1 363.304 2.219 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(F)cc2Br)n[nH]1 ZINC000184071316 672489508 /nfs/dbraw/zinc/48/95/08/672489508.db2.gz XNTMSPNKTQXAEC-UHFFFAOYSA-N -1 1 356.155 2.086 20 0 FEADMM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000588927746 672494405 /nfs/dbraw/zinc/49/44/05/672494405.db2.gz XLHKZCLMSGRPDZ-NSHDSACASA-N -1 1 366.443 2.046 20 0 FEADMM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000588927746 672494407 /nfs/dbraw/zinc/49/44/07/672494407.db2.gz XLHKZCLMSGRPDZ-NSHDSACASA-N -1 1 366.443 2.046 20 0 FEADMM Cc1cc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc(C(=O)[O-])c1Cl ZINC000184895884 672510643 /nfs/dbraw/zinc/51/06/43/672510643.db2.gz PSJCPXHYHYGSPJ-UHFFFAOYSA-N -1 1 372.874 2.252 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C)Cc2ccc(F)cc2)co1 ZINC000187733511 672576532 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O=C(Cc1ccccn1)N[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000192112232 672682274 /nfs/dbraw/zinc/68/22/74/672682274.db2.gz WRAQIUMXZLMINA-UHFFFAOYSA-N -1 1 370.153 2.126 20 0 FEADMM C[C@H]1COCC[C@@H]1C(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000192519181 672692879 /nfs/dbraw/zinc/69/28/79/672692879.db2.gz HBEDNUDNAZCUSR-WPRPVWTQSA-N -1 1 359.195 2.022 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)(C(=O)OC)c1ccccc1 ZINC000592027416 672736291 /nfs/dbraw/zinc/73/62/91/672736291.db2.gz JOEQWCZSBFGUIP-NVXWUHKLSA-N -1 1 357.472 2.055 20 0 FEADMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000193821258 672737032 /nfs/dbraw/zinc/73/70/32/672737032.db2.gz ICSBEDIRZCZKAU-UHFFFAOYSA-N -1 1 351.315 2.415 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCCC1CCOCC1)c1cccs1 ZINC000592031891 672737138 /nfs/dbraw/zinc/73/71/38/672737138.db2.gz XGSHKNJZTISARE-CQSZACIVSA-N -1 1 361.485 2.088 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccccc1 ZINC000193984698 672743100 /nfs/dbraw/zinc/74/31/00/672743100.db2.gz 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COCc1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000547049293 673831767 /nfs/dbraw/zinc/83/17/67/673831767.db2.gz FUEJVPGYISKIIS-UHFFFAOYSA-N -1 1 365.436 2.423 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cnc4ccccc4c3)no2)o1 ZINC000547110864 673833257 /nfs/dbraw/zinc/83/32/57/673833257.db2.gz ZNLVKCUVHRPSGW-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2CCOC(C)(C)C2)ccc1[N-]S(C)(=O)=O ZINC000547355422 673845534 /nfs/dbraw/zinc/84/55/34/673845534.db2.gz GEOHULQUXWSPLB-GFCCVEGCSA-N -1 1 371.459 2.146 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)CCC(C)(F)F)CCc2ccccc21 ZINC000601345814 673846076 /nfs/dbraw/zinc/84/60/76/673846076.db2.gz HNUUWOHEAQNDIG-INIZCTEOSA-N -1 1 361.410 2.356 20 0 FEADMM Brc1cc2c(c(CNC3(c4nn[n-]n4)CCCC3)c1)OCC2 ZINC000547448971 673851676 /nfs/dbraw/zinc/85/16/76/673851676.db2.gz VQDGAAOIAOEKMQ-UHFFFAOYSA-N -1 1 364.247 2.456 20 0 FEADMM Brc1cc2c(c(CNC3(c4nnn[n-]4)CCCC3)c1)OCC2 ZINC000547448971 673851680 /nfs/dbraw/zinc/85/16/80/673851680.db2.gz 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2.409 20 0 FEADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000822977289 675520658 /nfs/dbraw/zinc/52/06/58/675520658.db2.gz OXVLBHARKPZRJO-QMMMGPOBSA-N -1 1 352.259 2.410 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000823383598 675549071 /nfs/dbraw/zinc/54/90/71/675549071.db2.gz VVJZKMVNBPCKQT-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000823383598 675549074 /nfs/dbraw/zinc/54/90/74/675549074.db2.gz VVJZKMVNBPCKQT-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC000824354942 675597458 /nfs/dbraw/zinc/59/74/58/675597458.db2.gz IMUZPNSOHONQIK-UHFFFAOYSA-N -1 1 354.369 2.040 20 0 FEADMM C[C@@H](Sc1nc2ccccc2s1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824763584 675620871 /nfs/dbraw/zinc/62/08/71/675620871.db2.gz NRUYEIXPOZDLNN-SSDOTTSWSA-N -1 1 372.439 2.076 20 0 FEADMM O=C(NC[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1[O-] ZINC000825469168 675654594 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Cc1oc(-c2cccs2)nc1CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381705 675812422 /nfs/dbraw/zinc/81/24/22/675812422.db2.gz OVLHZJXXNBBZHO-UHFFFAOYSA-N -1 1 358.427 2.353 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)o1 ZINC000606414205 675831740 /nfs/dbraw/zinc/83/17/40/675831740.db2.gz RXCKUVTXOHCNRM-JTQLQIEISA-N -1 1 352.387 2.086 20 0 FEADMM CS(=O)(=O)CC1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000617180635 676272861 /nfs/dbraw/zinc/27/28/61/676272861.db2.gz CMVKWHJODQMZDB-UHFFFAOYSA-N -1 1 365.373 2.356 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cc(SC)ccc2Cl)n[n-]1 ZINC000617840258 676308528 /nfs/dbraw/zinc/30/85/28/676308528.db2.gz HIHCNHGZSSNTTH-UHFFFAOYSA-N -1 1 354.819 2.287 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(SC)ccc2Cl)n1 ZINC000617840258 676308529 /nfs/dbraw/zinc/30/85/29/676308529.db2.gz HIHCNHGZSSNTTH-UHFFFAOYSA-N -1 1 354.819 2.287 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000618202435 676324642 /nfs/dbraw/zinc/32/46/42/676324642.db2.gz 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FEADMM COc1cc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)cc2cccnc21 ZINC000656734552 677823101 /nfs/dbraw/zinc/82/31/01/677823101.db2.gz LSUKEUPTCDRGLF-CZUORRHYSA-N -1 1 366.439 2.037 20 0 FEADMM CCCCOCCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656861492 677837345 /nfs/dbraw/zinc/83/73/45/677837345.db2.gz QVVAGPHXMGUAPH-UHFFFAOYSA-N -1 1 351.266 2.329 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ncccc1Br ZINC000656943794 677879832 /nfs/dbraw/zinc/87/98/32/677879832.db2.gz QENGWNHFNHQMPA-JLLWLGSASA-N -1 1 373.272 2.080 20 0 FEADMM COC1(C[N-]S(=O)(=O)c2ncccc2Br)CCCCC1 ZINC000656962246 677888319 /nfs/dbraw/zinc/88/83/19/677888319.db2.gz KNUQHTANGXIXPD-UHFFFAOYSA-N -1 1 363.277 2.472 20 0 FEADMM O=S(=O)([N-]CCOCC1CCCC1)c1ncccc1Br ZINC000657009178 677909817 /nfs/dbraw/zinc/90/98/17/677909817.db2.gz QCNYYJOAGOFXDK-UHFFFAOYSA-N -1 1 363.277 2.329 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000761944633 680735378 /nfs/dbraw/zinc/73/53/78/680735378.db2.gz BLAXDJNUWUXSLH-JTQLQIEISA-N -1 1 362.238 2.447 20 0 FEADMM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000657077848 677936992 /nfs/dbraw/zinc/93/69/92/677936992.db2.gz VCPQBKMFZQMAKG-FOGDFJRCSA-N -1 1 353.893 2.246 20 0 FEADMM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000657078081 677937445 /nfs/dbraw/zinc/93/74/45/677937445.db2.gz WMUBFPZJBDKMGI-DFBGVHRSSA-N -1 1 371.430 2.416 20 0 FEADMM CCOc1cc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc(Cl)c1[O-] ZINC000762623570 680756183 /nfs/dbraw/zinc/75/61/83/680756183.db2.gz MWJZNMVTOGCVGC-NSHDSACASA-N -1 1 354.790 2.111 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Cl)[C@@]1(O)CCCOC1 ZINC000660052286 678266312 /nfs/dbraw/zinc/26/63/12/678266312.db2.gz MPPVDRJRQIBBLS-CYBMUJFWSA-N -1 1 353.893 2.248 20 0 FEADMM N[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Br)c1 ZINC000763040765 680769673 /nfs/dbraw/zinc/76/96/73/680769673.db2.gz KWAVPYBWBRPKLR-IINYFYTJSA-N -1 1 355.232 2.162 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(CC[C@@H]3Sc4ccccc4NC3=O)C2)n[nH]1 ZINC000660559726 678357717 /nfs/dbraw/zinc/35/77/17/678357717.db2.gz YKQWCLKQLOJKTJ-FZMZJTMJSA-N -1 1 359.455 2.193 20 0 FEADMM N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(Br)c1 ZINC000763046762 680769871 /nfs/dbraw/zinc/76/98/71/680769871.db2.gz UZXCHLBJNJVEQD-AWEZNQCLSA-N -1 1 363.211 2.464 20 0 FEADMM O=C([O-])CN1CC[C@H](N(Cc2cccc(Br)c2)C2CC2)C1=O ZINC000662202002 678589542 /nfs/dbraw/zinc/58/95/42/678589542.db2.gz MBBPVMBFOVAAEQ-AWEZNQCLSA-N -1 1 367.243 2.099 20 0 FEADMM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000663045611 678682760 /nfs/dbraw/zinc/68/27/60/678682760.db2.gz IWWDTCPVOBULQY-YLVFBTJISA-N -1 1 372.824 2.078 20 0 FEADMM COc1cc(F)ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000663300318 678720865 /nfs/dbraw/zinc/72/08/65/678720865.db2.gz UOSHCXRPEAJUJQ-UHFFFAOYSA-N -1 1 357.325 2.224 20 0 FEADMM O=C1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCN1 ZINC000668324449 679165580 /nfs/dbraw/zinc/16/55/80/679165580.db2.gz OMGVHFDGNMXIBP-QMMMGPOBSA-N -1 1 355.218 2.080 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000671164814 679313706 /nfs/dbraw/zinc/31/37/06/679313706.db2.gz KRFJFGYSRGOMQK-UHFFFAOYSA-N -1 1 352.437 2.123 20 0 FEADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)OCc2nc(=O)n(C)[n-]2)s1 ZINC000765375367 680840587 /nfs/dbraw/zinc/84/05/87/680840587.db2.gz DKOJUUSYSZGCII-UHFFFAOYSA-N -1 1 358.423 2.135 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000671855430 679348139 /nfs/dbraw/zinc/34/81/39/679348139.db2.gz QMMALYXFTHLSQG-UHFFFAOYSA-N -1 1 352.276 2.480 20 0 FEADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000765445349 680842514 /nfs/dbraw/zinc/84/25/14/680842514.db2.gz JYZWWBBXFGZVIO-JTQLQIEISA-N -1 1 368.842 2.445 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nnc3ccccn32)c(F)c1 ZINC000674884910 679513319 /nfs/dbraw/zinc/51/33/19/679513319.db2.gz CRUMTGIAKSNBFE-SECBINFHSA-N -1 1 368.365 2.056 20 0 FEADMM O=S(=O)([N-][C@H](CO)C[C@@H](O)c1ccccc1)c1sccc1Cl ZINC000830945057 679898707 /nfs/dbraw/zinc/89/87/07/679898707.db2.gz VFQDFBMAAOYWJZ-WCQYABFASA-N -1 1 361.872 2.164 20 0 FEADMM CC[C@@H](Sc1ccccc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000830958252 679900879 /nfs/dbraw/zinc/90/08/79/679900879.db2.gz AECCGIZLKHODGJ-OAHLLOKOSA-N -1 1 359.451 2.442 20 0 FEADMM COc1ccc(CCCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000831149041 679933742 /nfs/dbraw/zinc/93/37/42/679933742.db2.gz ILTYCYKBZOOWNJ-UHFFFAOYSA-N -1 1 358.360 2.155 20 0 FEADMM O=C([N-]CC1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1)C(F)(F)F ZINC000831145584 679933925 /nfs/dbraw/zinc/93/39/25/679933925.db2.gz YZWXHGJAUTYXSN-MNOVXSKESA-N -1 1 362.298 2.205 20 0 FEADMM O=C(CSCc1ccc(F)cc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831158267 679936471 /nfs/dbraw/zinc/93/64/71/679936471.db2.gz JBPWWSOEBANAOU-UHFFFAOYSA-N -1 1 364.364 2.196 20 0 FEADMM CCN(CC)c1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000831162386 679937954 /nfs/dbraw/zinc/93/79/54/679937954.db2.gz JARQUOUQIUSXFR-UHFFFAOYSA-N -1 1 357.376 2.283 20 0 FEADMM O=C([N-][C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1C(F)(F)F)C(F)F ZINC001008783410 679956382 /nfs/dbraw/zinc/95/63/82/679956382.db2.gz IIAIKYVLVBUNAR-VXNVDRBHSA-N -1 1 371.693 2.119 20 0 FEADMM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1c[nH]nc1Cl ZINC000831362753 679971954 /nfs/dbraw/zinc/97/19/54/679971954.db2.gz DNSOKFPNHAYCTB-BDAKNGLRSA-N -1 1 363.773 2.499 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748641306 679983024 /nfs/dbraw/zinc/98/30/24/679983024.db2.gz JDEIHEFHJGXXFW-UHFFFAOYSA-N -1 1 360.435 2.297 20 0 FEADMM COc1cc(N)c(Cl)cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000832054817 680082859 /nfs/dbraw/zinc/08/28/59/680082859.db2.gz SGJGEYGNHNFGOE-QMMMGPOBSA-N -1 1 352.778 2.039 20 0 FEADMM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc([O-])c(F)c3)[C@@H]2C1 ZINC000832053111 680083042 /nfs/dbraw/zinc/08/30/42/680083042.db2.gz VKWKJDQYRDQORB-XYYAHUGASA-N -1 1 350.390 2.374 20 0 FEADMM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(C)C ZINC000832226058 680112459 /nfs/dbraw/zinc/11/24/59/680112459.db2.gz TXUZUYYAJYTNBU-INIZCTEOSA-N -1 1 353.440 2.316 20 0 FEADMM CCN1[C@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)CC)C[C@@H]1C ZINC000912025146 685300958 /nfs/dbraw/zinc/30/09/58/685300958.db2.gz YHOIMZLGJFLWJF-OKILXGFUSA-N -1 1 353.488 2.003 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000912030990 685302068 /nfs/dbraw/zinc/30/20/68/685302068.db2.gz KNDXYCGBSNSOIJ-MRXNPFEDSA-N -1 1 367.515 2.251 20 0 FEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-])c1ccc(F)s1 ZINC000976568797 680138027 /nfs/dbraw/zinc/13/80/27/680138027.db2.gz HXKALGADXIZXHT-GHMZBOCLSA-N -1 1 363.414 2.459 20 0 FEADMM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1F)c1cc(F)c(F)cc1F ZINC000751435517 680174808 /nfs/dbraw/zinc/17/48/08/680174808.db2.gz NDJXDMHAJNMFBM-LBPRGKRZSA-N -1 1 367.295 2.394 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](CN2CCOC2=O)C1 ZINC000833011605 680186742 /nfs/dbraw/zinc/18/67/42/680186742.db2.gz GTZHQWWSEOHSRQ-SNVBAGLBSA-N -1 1 358.316 2.325 20 0 FEADMM CC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000833643457 680196899 /nfs/dbraw/zinc/19/68/99/680196899.db2.gz AZRYNBRUEAGPNY-INIZCTEOSA-N -1 1 366.414 2.412 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(C)(C)C)s2)co1 ZINC000834305048 680210454 /nfs/dbraw/zinc/21/04/54/680210454.db2.gz UELZSQZSLJOZBB-UHFFFAOYSA-N -1 1 356.469 2.477 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(C[C@@]3(C)CC3(Cl)Cl)no2)o1 ZINC000834876128 680279362 /nfs/dbraw/zinc/27/93/62/680279362.db2.gz FMXKVSCVOKBDPS-NSHDSACASA-N -1 1 366.226 2.364 20 0 FEADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983654378 680318358 /nfs/dbraw/zinc/31/83/58/680318358.db2.gz FVEOREBHXORSJD-MNOVXSKESA-N -1 1 359.348 2.097 20 0 FEADMM C[C@@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)N1CCCCC1 ZINC000753915876 680324143 /nfs/dbraw/zinc/32/41/43/680324143.db2.gz NJQXMEQPYFFVGL-LBPRGKRZSA-N -1 1 363.487 2.413 20 0 FEADMM C[C@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)N1CCCCC1 ZINC000753915875 680324194 /nfs/dbraw/zinc/32/41/94/680324194.db2.gz NJQXMEQPYFFVGL-GFCCVEGCSA-N -1 1 363.487 2.413 20 0 FEADMM CC[C@@H](SC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983723951 680324856 /nfs/dbraw/zinc/32/48/56/680324856.db2.gz SEJCOADROFAKGD-VNHYZAJKSA-N -1 1 365.499 2.286 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)COc2ccc(C)cc2)c1 ZINC000754002096 680330063 /nfs/dbraw/zinc/33/00/63/680330063.db2.gz URUFKXUAKXVSHE-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM CSc1nc(CNC(=O)C[C@@H](C)N2CCc3ccccc32)cc(=O)[n-]1 ZINC000912241228 685337684 /nfs/dbraw/zinc/33/76/84/685337684.db2.gz VPCWYPIADWADJT-GFCCVEGCSA-N -1 1 358.467 2.362 20 0 FEADMM CSc1nc(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000912246031 685338736 /nfs/dbraw/zinc/33/87/36/685338736.db2.gz ALXKCTSIMCQAJB-LBPRGKRZSA-N -1 1 353.831 2.297 20 0 FEADMM C[C@@H]1[C@@H](C)N(C(=O)c2cccc(I)c2[O-])CCN1C ZINC000755833112 680438904 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O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1ccoc1Cl ZINC001002263057 680492137 /nfs/dbraw/zinc/49/21/37/680492137.db2.gz ZTYWVIAWBNMGAO-JLLWLGSASA-N -1 1 361.785 2.209 20 0 FEADMM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(OC)cc1 ZINC000756689733 680492292 /nfs/dbraw/zinc/49/22/92/680492292.db2.gz CNCCMJTWCWCDNM-NSHDSACASA-N -1 1 356.350 2.274 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NCCC[C@@H](C)O)c1 ZINC000836741080 680505690 /nfs/dbraw/zinc/50/56/90/680505690.db2.gz SYXLPCCYYANACU-LLVKDONJSA-N -1 1 361.364 2.456 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccccc1CCC(F)(F)F ZINC000757011944 680510485 /nfs/dbraw/zinc/51/04/85/680510485.db2.gz ZHFPYWGDVHKZNR-UHFFFAOYSA-N -1 1 355.316 2.060 20 0 FEADMM C[C@@H]1[C@H](O)CCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000837013196 680542406 /nfs/dbraw/zinc/54/24/06/680542406.db2.gz QRBHEMYZBGVKGR-LDYMZIIASA-N -1 1 362.304 2.098 20 0 FEADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000837086037 680550604 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O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC000886765088 688303801 /nfs/dbraw/zinc/30/38/01/688303801.db2.gz GWZSLJCCDBBSMF-LBPRGKRZSA-N -1 1 357.859 2.204 20 0 FEADMM CCOC(=O)[C@H](CCCC(C)C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000886934062 688342086 /nfs/dbraw/zinc/34/20/86/688342086.db2.gz KOLBNSAUNOOUKZ-HNNXBMFYSA-N -1 1 351.447 2.103 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCS1(=O)=O ZINC000887177952 688378690 /nfs/dbraw/zinc/37/86/90/688378690.db2.gz WZRHDSBQLXCOJT-WCBMZHEXSA-N -1 1 351.346 2.107 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CC[C@H](C3CC3)O2)c(=O)[n-]1 ZINC000887499571 688436821 /nfs/dbraw/zinc/43/68/21/688436821.db2.gz YNICRXVAIWZKDV-TZMCWYRMSA-N -1 1 351.472 2.219 20 0 FEADMM Cn1nccc1[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCO1 ZINC000887592805 688458303 /nfs/dbraw/zinc/45/83/03/688458303.db2.gz XCHCFTNMRCWZFG-AWEZNQCLSA-N -1 1 355.316 2.358 20 0 FEADMM O=C(N[C@@H]1CCCN(C(=O)c2cncc([O-])c2)C1)c1ccc(Cl)cc1 ZINC000887742822 688483767 /nfs/dbraw/zinc/48/37/67/688483767.db2.gz JTPZDRCFRXAOFI-OAHLLOKOSA-N -1 1 359.813 2.475 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCCCNC(=O)CC1 ZINC000889428292 688773308 /nfs/dbraw/zinc/77/33/08/688773308.db2.gz DRYPPAPYMKDDGW-UHFFFAOYSA-N -1 1 355.232 2.287 20 0 FEADMM COC(=O)C1(CCCCNC(=O)c2ccc3n[n-]c(=S)n3c2)CCC1 ZINC000891154575 689024880 /nfs/dbraw/zinc/02/48/80/689024880.db2.gz NTDWFULHPLWRMP-UHFFFAOYSA-N -1 1 362.455 2.261 20 0 FEADMM O=C(CCn1cc(Br)cn1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623109 689084763 /nfs/dbraw/zinc/08/47/63/689084763.db2.gz GUXAXJKBPPHJAM-UHFFFAOYSA-N -1 1 366.219 2.049 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2c(Cl)c(C)nn2C)c(=O)[n-]1 ZINC000892136961 689155468 /nfs/dbraw/zinc/15/54/68/689155468.db2.gz QTIXNFUPWVAKKM-UHFFFAOYSA-N -1 1 355.851 2.479 20 0 FEADMM COCc1nc(N2CCC(n3cc(Br)cn3)CC2)cc(=O)[n-]1 ZINC000892444715 689197372 /nfs/dbraw/zinc/19/73/72/689197372.db2.gz UVWMYDLYTBUQOF-UHFFFAOYSA-N -1 1 368.235 2.129 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCc2c(C)nn(C)c2C)c(=O)[n-]1 ZINC000893326264 689332340 /nfs/dbraw/zinc/33/23/40/689332340.db2.gz YYBPUCOIQVZYIM-UHFFFAOYSA-N -1 1 350.444 2.239 20 0 FEADMM O=C(C[C@@H]1CCc2sccc2C1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000897640048 690054793 /nfs/dbraw/zinc/05/47/93/690054793.db2.gz HGCBYUDVBAGVMD-WDEREUQCSA-N -1 1 361.423 2.378 20 0 FEADMM C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cncs1 ZINC000898198034 690142922 /nfs/dbraw/zinc/14/29/22/690142922.db2.gz AGHSEKOVOFPNHK-VIFPVBQESA-N -1 1 364.393 2.304 20 0 FEADMM Cc1nc(C)c(CC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC000898990210 690286190 /nfs/dbraw/zinc/28/61/90/690286190.db2.gz FCHRQCVQQHWBLO-KCJUWKMLSA-N -1 1 363.405 2.218 20 0 FEADMM CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900507467 690525257 /nfs/dbraw/zinc/52/52/57/690525257.db2.gz PDUDARTXRZNXSG-HNNXBMFYSA-N -1 1 360.435 2.244 20 0 FEADMM CN(C)c1nc(Cl)c(C(=O)[N-]c2nc(-c3cnn(C)c3)ns2)s1 ZINC000900795736 690562670 /nfs/dbraw/zinc/56/26/70/690562670.db2.gz NBANSEFKMUINJV-UHFFFAOYSA-N -1 1 369.863 2.367 20 0 FEADMM Cc1nc(N[C@@H](C)CN2CCN(c3ccccn3)CC2)sc1C(=O)[O-] ZINC000900940115 690591462 /nfs/dbraw/zinc/59/14/62/690591462.db2.gz DMIJAYCUVRXMLD-LBPRGKRZSA-N -1 1 361.471 2.167 20 0 FEADMM COc1nccc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000901621461 690668158 /nfs/dbraw/zinc/66/81/58/690668158.db2.gz JIGBNWXLKKIVHM-HNNXBMFYSA-N -1 1 366.215 2.337 20 0 FEADMM CCn1cc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)n1 ZINC000901712290 690682906 /nfs/dbraw/zinc/68/29/06/690682906.db2.gz GHXTWVWLCAUWLF-UHFFFAOYSA-N -1 1 357.819 2.452 20 0 FEADMM COc1ccc([C@H](NCc2cnn(C)c2)C(=O)[O-])cc1Br ZINC000901826676 690698334 /nfs/dbraw/zinc/69/83/34/690698334.db2.gz DOEUNGWTMSINSG-ZDUSSCGKSA-N -1 1 354.204 2.107 20 0 FEADMM O=C([O-])Cn1cc(CNCC2(c3c(F)cccc3F)CCCC2)nn1 ZINC000902207404 690747513 /nfs/dbraw/zinc/74/75/13/690747513.db2.gz XTHLSKDZLFEMMO-UHFFFAOYSA-N -1 1 350.369 2.243 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000902855044 690814098 /nfs/dbraw/zinc/81/40/98/690814098.db2.gz RWJHFMWRJNSWCV-AWEZNQCLSA-N -1 1 355.291 2.430 20 0 FEADMM NC(=O)[C@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000902950408 690823226 /nfs/dbraw/zinc/82/32/26/690823226.db2.gz KMDGGXRDIMCPFL-IAQIWYKVSA-N -1 1 371.693 2.226 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccnc(Br)c1C ZINC000903136122 690849606 /nfs/dbraw/zinc/84/96/06/690849606.db2.gz VRJFQEWXXNSPOV-UHFFFAOYSA-N -1 1 370.294 2.317 20 0 FEADMM COC(=O)C1CC2(C1)CN(Cc1csc(C3CC3)n1)C[C@H]2C(=O)[O-] ZINC000903415552 690891277 /nfs/dbraw/zinc/89/12/77/690891277.db2.gz KFOQNGSCDYYGQJ-XKZABGERSA-N -1 1 350.440 2.106 20 0 FEADMM COC(=O)C1CC2(C1)CN(Cc1ccc(C)nc1Cl)C[C@H]2C(=O)[O-] ZINC000903417079 690891677 /nfs/dbraw/zinc/89/16/77/690891677.db2.gz UITLCVBTPNQUDI-JZLYGMAVSA-N -1 1 352.818 2.129 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC3(CC2)COCCO3)c(Cl)c1 ZINC000903620704 690940917 /nfs/dbraw/zinc/94/09/17/690940917.db2.gz CYCWFYLCPRAIJI-UHFFFAOYSA-N -1 1 355.818 2.298 20 0 FEADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cnn3c2OCC(C)(C)C3)c1 ZINC000903624797 690941971 /nfs/dbraw/zinc/94/19/71/690941971.db2.gz JARSFINCPGKKFD-UHFFFAOYSA-N -1 1 356.835 2.459 20 0 FEADMM CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(C(=O)[O-])s2)c1 ZINC000903676490 690957324 /nfs/dbraw/zinc/95/73/24/690957324.db2.gz BWWFZYLGPVZJJX-JTQLQIEISA-N -1 1 354.453 2.205 20 0 FEADMM Cn1nc2c(c1CN[C@@]1(C(=O)[O-])CCc3c1cccc3F)CSCC2 ZINC000904010359 690994138 /nfs/dbraw/zinc/99/41/38/690994138.db2.gz UNZWGKYSYLJPMU-SFHVURJKSA-N -1 1 361.442 2.364 20 0 FEADMM Cn1nncc1CN[C@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000904072390 691000713 /nfs/dbraw/zinc/00/07/13/691000713.db2.gz GXXOJOPJUGBJAX-CYBMUJFWSA-N -1 1 353.220 2.273 20 0 FEADMM CCS(=O)(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000905382324 691111967 /nfs/dbraw/zinc/11/19/67/691111967.db2.gz WTEUPWXPNNZGKS-QGZVFWFLSA-N -1 1 363.435 2.404 20 0 FEADMM COc1ncc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)c(C)n1 ZINC000905392688 691112718 /nfs/dbraw/zinc/11/27/18/691112718.db2.gz NOFSRBOWOZSWIA-AWEZNQCLSA-N -1 1 351.790 2.371 20 0 FEADMM O=C([O-])[C@@H](NCCOC[C@@H]1CCCO1)c1ccccc1Br ZINC000905400608 691114394 /nfs/dbraw/zinc/11/43/94/691114394.db2.gz NZIQNPHYXFJCJK-FZMZJTMJSA-N -1 1 358.232 2.360 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(SC4CC4)cc3)nc2n1 ZINC000905632345 691153905 /nfs/dbraw/zinc/15/39/05/691153905.db2.gz GFLKQIKYLZOLQJ-UHFFFAOYSA-N -1 1 355.423 2.162 20 0 FEADMM CN(C)c1cc(F)cc([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1 ZINC000906067484 691226238 /nfs/dbraw/zinc/22/62/38/691226238.db2.gz BNCFVPNCXJIDNR-NRFANRHFSA-N -1 1 351.469 2.445 20 0 FEADMM Cc1c(Br)nccc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000906067177 691226375 /nfs/dbraw/zinc/22/63/75/691226375.db2.gz QVWOIWDMNBAVCE-UHFFFAOYSA-N -1 1 368.278 2.071 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000906873872 691333624 /nfs/dbraw/zinc/33/36/24/691333624.db2.gz VBMSYOHZJHYYLN-WFASDCNBSA-N -1 1 354.472 2.050 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCCN2C2CC2)c1C ZINC000906957129 691353912 /nfs/dbraw/zinc/35/39/12/691353912.db2.gz KJLYDHKOHRBTPU-INIZCTEOSA-N -1 1 366.483 2.297 20 0 FEADMM O=S(=O)([N-]CCc1cnoc1)c1cnc(Cl)cc1C(F)(F)F ZINC000907388991 691469087 /nfs/dbraw/zinc/46/90/87/691469087.db2.gz OBUWYXODEUEZOJ-UHFFFAOYSA-N -1 1 355.725 2.263 20 0 FEADMM CC1(C)CO[C@H](CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000907411359 691473927 /nfs/dbraw/zinc/47/39/27/691473927.db2.gz CDOXJMXNRLPDOR-YGRLFVJLSA-N -1 1 367.812 2.403 20 0 FEADMM Cc1cc(OCC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc(C)c1Cl ZINC000907472873 691492609 /nfs/dbraw/zinc/49/26/09/691492609.db2.gz DOFFVTMLGDBDIS-LBPRGKRZSA-N -1 1 367.862 2.165 20 0 FEADMM CSc1ccc(C=CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)s1 ZINC000907473813 691493187 /nfs/dbraw/zinc/49/31/87/691493187.db2.gz UCFLYGFYWFXJRQ-XCRNYIDWSA-N -1 1 353.498 2.313 20 0 FEADMM CSCc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)ccc1F ZINC000907473404 691493516 /nfs/dbraw/zinc/49/35/16/691493516.db2.gz GZOXABZOXWNIRY-LBPRGKRZSA-N -1 1 353.448 2.132 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)c1C(F)(F)F ZINC000907660249 691534988 /nfs/dbraw/zinc/53/49/88/691534988.db2.gz UQQIQDXLAMMDMZ-CBLAIPOGSA-N -1 1 355.407 2.144 20 0 FEADMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cnn(C)c2)C(=O)OC(C)(C)C)c1 ZINC000907661827 691535471 /nfs/dbraw/zinc/53/54/71/691535471.db2.gz RQRVDPSTCPHMDQ-OAHLLOKOSA-N -1 1 365.455 2.090 20 0 FEADMM CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000907777242 691558276 /nfs/dbraw/zinc/55/82/76/691558276.db2.gz FFFOVSDNCDUZKE-LLVKDONJSA-N -1 1 366.414 2.119 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3cccc(Br)c3C)CC2)n1 ZINC000907864668 691573406 /nfs/dbraw/zinc/57/34/06/691573406.db2.gz MEXYEMHQVSTFRT-UHFFFAOYSA-N -1 1 372.244 2.417 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3cc(Br)ccc3C)CC2)n1 ZINC000907865975 691573835 /nfs/dbraw/zinc/57/38/35/691573835.db2.gz XFRWHNDDDLYBGT-UHFFFAOYSA-N -1 1 372.244 2.417 20 0 FEADMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2cccc3c2COC3=O)n1 ZINC000907946085 691587913 /nfs/dbraw/zinc/58/79/13/691587913.db2.gz IHSUHCJHMYCGRS-UHFFFAOYSA-N -1 1 350.396 2.121 20 0 FEADMM C=Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000908017275 691599233 /nfs/dbraw/zinc/59/92/33/691599233.db2.gz TYVFTPYWCSVFRQ-CQSZACIVSA-N -1 1 361.423 2.360 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)c(C(F)(F)F)n1 ZINC000908390632 691671526 /nfs/dbraw/zinc/67/15/26/691671526.db2.gz OQOQBWCDWBGDCK-GFCCVEGCSA-N -1 1 360.361 2.264 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000908707954 691715698 /nfs/dbraw/zinc/71/56/98/691715698.db2.gz XAJKUTILLJYRHV-BXUZGUMPSA-N -1 1 352.431 2.275 20 0 FEADMM C/C(=C/C(=O)Nc1cccc([O-])c1Br)CN1CCOCC1 ZINC000908711301 691716716 /nfs/dbraw/zinc/71/67/16/691716716.db2.gz UPHBQZMMMPJIMY-LUAWRHEFSA-N -1 1 355.232 2.372 20 0 FEADMM O=C([O-])[C@H](CF)NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000908756383 691724624 /nfs/dbraw/zinc/72/46/24/691724624.db2.gz HZXHWTPEBDKTLR-UONOGXRCSA-N -1 1 357.813 2.199 20 0 FEADMM CC[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1ccccc1Cl ZINC000908835827 691737496 /nfs/dbraw/zinc/73/74/96/691737496.db2.gz ZNLDJALWBVRWIU-ZIAGYGMSSA-N -1 1 368.861 2.410 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])c1ccco1 ZINC000908876525 691745315 /nfs/dbraw/zinc/74/53/15/691745315.db2.gz WLDYDIVSXLCGNB-RYUDHWBXSA-N -1 1 359.373 2.166 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCOC1CCSCC1 ZINC000908920970 691753262 /nfs/dbraw/zinc/75/32/62/691753262.db2.gz JGCUGEJZBONXQR-UHFFFAOYSA-N -1 1 365.498 2.189 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N[C@](C)(CCF)C(=O)[O-])N2CCCC2)o1 ZINC000908926391 691753853 /nfs/dbraw/zinc/75/38/53/691753853.db2.gz OZQTWVRJOPHAFX-SUMWQHHRSA-N -1 1 355.410 2.227 20 0 FEADMM CC[C@H](C(=O)[O-])N(C(=O)NCCN(C)Cc1ccc(F)cc1)C1CC1 ZINC000909095160 691777411 /nfs/dbraw/zinc/77/74/11/691777411.db2.gz LCWNAZJTYLBCPU-MRXNPFEDSA-N -1 1 351.422 2.295 20 0 FEADMM C[C@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000909125157 691782257 /nfs/dbraw/zinc/78/22/57/691782257.db2.gz CPIDZDMFPWFAEV-MFKMUULPSA-N -1 1 361.364 2.423 20 0 FEADMM O=C([O-])C[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCO1 ZINC000909266755 691801852 /nfs/dbraw/zinc/80/18/52/691801852.db2.gz AGXOIPVSVIZUJL-MRVPVSSYSA-N -1 1 355.803 2.107 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)C1 ZINC000909397629 691817609 /nfs/dbraw/zinc/81/76/09/691817609.db2.gz YBLQCSLOBZMLIM-NSHDSACASA-N -1 1 360.332 2.363 20 0 FEADMM CSCc1cc(F)ccc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909414349 691819565 /nfs/dbraw/zinc/81/95/65/691819565.db2.gz DAZYTBHBCMBUKS-ZDUSSCGKSA-N -1 1 354.447 2.102 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000909561451 691834124 /nfs/dbraw/zinc/83/41/24/691834124.db2.gz DIDQFBXRLDPIDC-SWLSCSKDSA-N -1 1 366.845 2.467 20 0 FEADMM CN1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000909630425 691841426 /nfs/dbraw/zinc/84/14/26/691841426.db2.gz PPKYAVIIKQQDEX-ARFHVFGLSA-N -1 1 350.846 2.451 20 0 FEADMM CN1CCCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000909672609 691844527 /nfs/dbraw/zinc/84/45/27/691844527.db2.gz NAKOEWPRRODAFS-ZDUSSCGKSA-N -1 1 355.232 2.248 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN2CCC(C)CC2)C(=O)[O-])cc1Cl ZINC000909794704 691856288 /nfs/dbraw/zinc/85/62/88/691856288.db2.gz HSRKZMXMROKEKR-MRXNPFEDSA-N -1 1 354.834 2.322 20 0 FEADMM O=C([O-])[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000909816225 691859214 /nfs/dbraw/zinc/85/92/14/691859214.db2.gz RLEDWHNYEBKKLZ-INIZCTEOSA-N -1 1 361.829 2.297 20 0 FEADMM CN(CC(=O)N[C@H](C(=O)[O-])c1ccccc1Br)C1CCC1 ZINC000909955007 691876680 /nfs/dbraw/zinc/87/66/80/691876680.db2.gz PYJDILPJXDZXJS-AWEZNQCLSA-N -1 1 355.232 2.175 20 0 FEADMM CCC(CC)n1nc(C)cc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000910176610 691896650 /nfs/dbraw/zinc/89/66/50/691896650.db2.gz AGYXVTSGPSHCSZ-UHFFFAOYSA-N -1 1 350.463 2.174 20 0 FEADMM O=C([O-])c1ccc(F)c2c1CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC2 ZINC000910207784 691900203 /nfs/dbraw/zinc/90/02/03/691900203.db2.gz QHVRSEUECWGPBN-UHFFFAOYSA-N -1 1 357.263 2.464 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(c3c(F)cccc3F)CCC2)C1 ZINC000910255526 691907130 /nfs/dbraw/zinc/90/71/30/691907130.db2.gz QNIHYGHXERNYMA-GFCCVEGCSA-N -1 1 352.381 2.257 20 0 FEADMM Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F ZINC000910353217 691920570 /nfs/dbraw/zinc/92/05/70/691920570.db2.gz PMRWCFGTPXKICU-MRVPVSSYSA-N -1 1 353.366 2.320 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)NC1(C(=O)[O-])CCC1)N1CCCC1 ZINC000908749562 939310736 /nfs/dbraw/zinc/31/07/36/939310736.db2.gz UWLRYJFMOTYWQI-HNNXBMFYSA-N -1 1 361.442 2.139 20 0 FEADMM CN(CCc1ccccc1)CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000908979026 939364997 /nfs/dbraw/zinc/36/49/97/939364997.db2.gz QTFLBWPJZHOENV-NRFANRHFSA-N -1 1 352.434 2.203 20 0 FEADMM O=C([O-])[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1 ZINC000911063595 939769739 /nfs/dbraw/zinc/76/97/39/939769739.db2.gz KWCSLONNSKWWRD-QMTHXVAHSA-N -1 1 367.327 2.476 20 0 FEADMM O=C([O-])[C@H](C(=O)NCC1(CN2CCOCC2)CCCCC1)C1CCCC1 ZINC000663108258 939855665 /nfs/dbraw/zinc/85/56/65/939855665.db2.gz QNJAHKLWLCGPKY-KRWDZBQOSA-N -1 1 366.502 2.276 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCSCC(F)(F)F)c(C(F)(F)F)n1 ZINC000549400583 674038984 /nfs/dbraw/zinc/03/89/84/674038984.db2.gz UBVNJHYRBQDTPV-UHFFFAOYSA-N -1 1 371.328 2.013 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl ZINC000005278299 539407111 /nfs/dbraw/zinc/40/71/11/539407111.db2.gz JETBMEDBERHMNA-UHFFFAOYSA-N -1 1 353.787 2.319 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000014867752 539607141 /nfs/dbraw/zinc/60/71/41/539607141.db2.gz JWUZEILOPJWKFR-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000023315272 539712117 /nfs/dbraw/zinc/71/21/17/539712117.db2.gz UZRRIWMNBZAEIG-KRWDZBQOSA-N -1 1 368.433 2.256 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000024957373 539744705 /nfs/dbraw/zinc/74/47/05/539744705.db2.gz GDSUAIJPGIKAQF-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCCc3c2cnn3C)c(=O)[n-]1 ZINC000024991904 539746000 /nfs/dbraw/zinc/74/60/00/539746000.db2.gz JNCYYOJESMIVGU-CYBMUJFWSA-N -1 1 361.471 2.072 20 0 FEADMM COc1ccc(CCS(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)[nH]n2)cc1 ZINC000800786468 674076315 /nfs/dbraw/zinc/07/63/15/674076315.db2.gz MLWUGWRQRHVBGV-CQSZACIVSA-N -1 1 365.455 2.297 20 0 FEADMM O=C(NCc1ccco1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028833072 539837563 /nfs/dbraw/zinc/83/75/63/539837563.db2.gz GGNWHFCXPCJMAK-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM COc1cc(NC(=O)NCCc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000031051000 539896997 /nfs/dbraw/zinc/89/69/97/539896997.db2.gz OGMODOGFTLJGRV-UHFFFAOYSA-N -1 1 363.439 2.431 20 0 FEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000031668279 539915058 /nfs/dbraw/zinc/91/50/58/539915058.db2.gz SKIZEKOZJLNHKU-UHFFFAOYSA-N -1 1 354.815 2.313 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCO[C@H](C)c2ccccc2)o1 ZINC000032766437 539952101 /nfs/dbraw/zinc/95/21/01/539952101.db2.gz USGWZMJFPHOFKX-CYBMUJFWSA-N -1 1 366.439 2.085 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCO1 ZINC000041270687 540015240 /nfs/dbraw/zinc/01/52/40/540015240.db2.gz HXFZTRLYDXWTLV-AWEZNQCLSA-N -1 1 360.435 2.348 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccsc1 ZINC000042127828 540052701 /nfs/dbraw/zinc/05/27/01/540052701.db2.gz REBVYMCKRKHJAU-UHFFFAOYSA-N -1 1 354.435 2.403 20 0 FEADMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2F)n1 ZINC000800990218 674096114 /nfs/dbraw/zinc/09/61/14/674096114.db2.gz PROZULBQSMMLBL-ZETCQYMHSA-N -1 1 359.404 2.040 20 0 FEADMM Cn1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000047119746 540290780 /nfs/dbraw/zinc/29/07/80/540290780.db2.gz OLHDEIFKIZWTQY-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000052920485 540499659 /nfs/dbraw/zinc/49/96/59/540499659.db2.gz HBXDZGIPDRRYCF-MRXNPFEDSA-N -1 1 373.478 2.062 20 0 FEADMM COC(=O)c1ccc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000054565050 540596171 /nfs/dbraw/zinc/59/61/71/540596171.db2.gz DJJYFADQTXPLGE-UHFFFAOYSA-N -1 1 362.407 2.125 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)N(C)C)c2)cc1F ZINC000055631145 540665668 /nfs/dbraw/zinc/66/56/68/540665668.db2.gz OEGKTKHEHASWRI-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C(N)=O)ccc1C ZINC000058283695 540837827 /nfs/dbraw/zinc/83/78/27/540837827.db2.gz ZVIRZXZAQGDCIQ-UHFFFAOYSA-N -1 1 361.423 2.108 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000062300469 541147351 /nfs/dbraw/zinc/14/73/51/541147351.db2.gz OWFLHRNORSRDAK-QZTJIDSGSA-N -1 1 360.417 2.355 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2CN2C(=O)CCC2=O)c1 ZINC000063443662 541168230 /nfs/dbraw/zinc/16/82/30/541168230.db2.gz IAKQOZXGABYNKH-UHFFFAOYSA-N -1 1 358.419 2.445 20 0 FEADMM COc1ccc(NC(=O)CS(=O)(=O)c2ccc([O-])cc2)cc1Cl ZINC000063927416 541191557 /nfs/dbraw/zinc/19/15/57/541191557.db2.gz FFFWJJLKIYHFCL-UHFFFAOYSA-N -1 1 355.799 2.467 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1sc([C@H](C)OC)nc1C ZINC000541271706 541179420 /nfs/dbraw/zinc/17/94/20/541179420.db2.gz CFZVTXKFKWCVKN-VIFPVBQESA-N -1 1 352.416 2.321 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(NC(N)=O)c1 ZINC000064335810 541201492 /nfs/dbraw/zinc/20/14/92/541201492.db2.gz RLYJZPTWVLRAEU-UHFFFAOYSA-N -1 1 368.397 2.114 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000065842388 541265608 /nfs/dbraw/zinc/26/56/08/541265608.db2.gz QODBMSAQMFJNPM-UHFFFAOYSA-N -1 1 373.438 2.291 20 0 FEADMM CCCN(CCC)C(=O)CCC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638522 541352209 /nfs/dbraw/zinc/35/22/09/541352209.db2.gz LUUZAYQAJGVJQK-UHFFFAOYSA-N -1 1 353.492 2.321 20 0 FEADMM COCCOc1ccccc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640256 541352308 /nfs/dbraw/zinc/35/23/08/541352308.db2.gz INOSDUPRGIAYOO-UHFFFAOYSA-N -1 1 350.444 2.477 20 0 FEADMM Cc1ccccc1-n1nc(C(=O)NCc2n[n-]c(=S)n2C)c2c1CCC2 ZINC000066625759 541350020 /nfs/dbraw/zinc/35/00/20/541350020.db2.gz QNKXOMJNTFMNTI-UHFFFAOYSA-N -1 1 368.466 2.391 20 0 FEADMM CC(C)n1c(CCNC(=O)CN(C)C(=O)OC(C)(C)C)n[n-]c1=S ZINC000067074205 541413871 /nfs/dbraw/zinc/41/38/71/541413871.db2.gz IHRXXBMDDZCLMH-UHFFFAOYSA-N -1 1 357.480 2.047 20 0 FEADMM CCn1c(CCNC(=O)CSCC(=O)c2ccccc2)n[n-]c1=S ZINC000067075765 541414559 /nfs/dbraw/zinc/41/45/59/541414559.db2.gz KHDXRDFYTUAPFB-UHFFFAOYSA-N -1 1 364.496 2.235 20 0 FEADMM CCN(CC)C(=O)CCCC(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067119093 541420616 /nfs/dbraw/zinc/42/06/16/541420616.db2.gz ATFZWUIBEOTZOT-UHFFFAOYSA-N -1 1 355.508 2.219 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000543129277 541537090 /nfs/dbraw/zinc/53/70/90/541537090.db2.gz GHCZPJGDKJCSFO-UHFFFAOYSA-N -1 1 353.382 2.094 20 0 FEADMM CC(=O)NC1(C(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)CCCCC1 ZINC000068427388 541589814 /nfs/dbraw/zinc/58/98/14/541589814.db2.gz NHYJBYVJVDGTHL-UHFFFAOYSA-N -1 1 365.503 2.023 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1n[nH]c(C2CC2)c1Br ZINC000068461714 541595079 /nfs/dbraw/zinc/59/50/79/541595079.db2.gz HWKFXJXXNODDGT-UHFFFAOYSA-N -1 1 365.113 2.439 20 0 FEADMM CN(CC(=O)N1CCC(c2n[n-]c(=S)n2C)CC1)C(=O)OC(C)(C)C ZINC000068428700 541590476 /nfs/dbraw/zinc/59/04/76/541590476.db2.gz RTPZGLSRDLXJMJ-UHFFFAOYSA-N -1 1 369.491 2.051 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOC[C@@H]2CC(C)C)c(=O)[n-]1 ZINC000071044652 541760982 /nfs/dbraw/zinc/76/09/82/541760982.db2.gz FVFIPJZEXCBTON-ZDUSSCGKSA-N -1 1 353.488 2.006 20 0 FEADMM O=C([O-])[C@@H](CCc1ccc(F)cc1)NS(=O)(=O)c1c(F)cccc1F ZINC000551587492 674152576 /nfs/dbraw/zinc/15/25/76/674152576.db2.gz HXYADXOZSQNILC-CQSZACIVSA-N -1 1 373.352 2.468 20 0 FEADMM COc1ccccc1OCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000078794176 542480849 /nfs/dbraw/zinc/48/08/49/542480849.db2.gz JWDCFNAZOXMERV-UHFFFAOYSA-N -1 1 359.426 2.193 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000081726939 542673837 /nfs/dbraw/zinc/67/38/37/542673837.db2.gz XJDFHYITNIHELV-UHFFFAOYSA-N -1 1 352.398 2.413 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000093099191 542909106 /nfs/dbraw/zinc/90/91/06/542909106.db2.gz QCNCWZJDVUZNCC-LLVKDONJSA-N -1 1 362.777 2.341 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)Cc2cccc(C)c2)C2CCOCC2)n1 ZINC000551888354 674169311 /nfs/dbraw/zinc/16/93/11/674169311.db2.gz NAVSBRDNPUIXDE-MRXNPFEDSA-N -1 1 365.455 2.274 20 0 FEADMM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCN(C2CCCC2)CC1 ZINC000104840046 543146800 /nfs/dbraw/zinc/14/68/00/543146800.db2.gz QZUDFKHKGICIRQ-UHFFFAOYSA-N -1 1 358.417 2.417 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)n1 ZINC000107765565 543278171 /nfs/dbraw/zinc/27/81/71/543278171.db2.gz WGBHZNHXYOANPC-UONOGXRCSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)[n-]1 ZINC000107765565 543278173 /nfs/dbraw/zinc/27/81/73/543278173.db2.gz WGBHZNHXYOANPC-UONOGXRCSA-N -1 1 356.407 2.104 20 0 FEADMM CN(CC(=O)Nc1ccncc1[O-])C(=O)c1ccc(Br)s1 ZINC000109891597 543343583 /nfs/dbraw/zinc/34/35/83/543343583.db2.gz YEOCZDWBTWQJKO-UHFFFAOYSA-N -1 1 370.228 2.322 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000111104938 543381579 /nfs/dbraw/zinc/38/15/79/543381579.db2.gz TWWBGBPAQUUKGT-GFCCVEGCSA-N -1 1 368.842 2.471 20 0 FEADMM O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc([O-])c(Cl)c1 ZINC000111667406 543411373 /nfs/dbraw/zinc/41/13/73/543411373.db2.gz MYKNRQMQONDKET-UHFFFAOYSA-N -1 1 360.844 2.414 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)o1 ZINC000113209532 543477401 /nfs/dbraw/zinc/47/74/01/543477401.db2.gz PJEUWNJXSSYLFV-HNNXBMFYSA-N -1 1 362.451 2.343 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000114412427 543514106 /nfs/dbraw/zinc/51/41/06/543514106.db2.gz JGHJYILNNZSSOR-GJZGRUSLSA-N -1 1 354.385 2.198 20 0 FEADMM O=C(Nc1nnn[n-]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000118685993 543655690 /nfs/dbraw/zinc/65/56/90/543655690.db2.gz AJXQKSHVDVPDOJ-UHFFFAOYSA-N -1 1 357.683 2.310 20 0 FEADMM O=C(Nc1nn[n-]n1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000118685993 543655694 /nfs/dbraw/zinc/65/56/94/543655694.db2.gz AJXQKSHVDVPDOJ-UHFFFAOYSA-N -1 1 357.683 2.310 20 0 FEADMM C[C@@H](CN(C)C(=O)c1c(F)cc(Br)cc1F)c1nn[n-]n1 ZINC000124488946 543825374 /nfs/dbraw/zinc/82/53/74/543825374.db2.gz LDIIAWWSDFURLE-LURJTMIESA-N -1 1 360.162 2.116 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000123990613 543795686 /nfs/dbraw/zinc/79/56/86/543795686.db2.gz GHFVYFHGURTPDS-UHFFFAOYSA-N -1 1 372.444 2.477 20 0 FEADMM C[C@@H](CN(C)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1nn[n-]n1 ZINC000124052373 543798066 /nfs/dbraw/zinc/79/80/66/543798066.db2.gz HLZGSTGSQPMTNS-QPUJVOFHSA-N -1 1 358.229 2.192 20 0 FEADMM CCCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1Cc1ccccc1 ZINC000124201764 543806716 /nfs/dbraw/zinc/80/67/16/543806716.db2.gz FOWMTRSFSJOWRV-AWEZNQCLSA-N -1 1 367.457 2.273 20 0 FEADMM Cc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1cc(C)ccc1C ZINC000124249224 543809158 /nfs/dbraw/zinc/80/91/58/543809158.db2.gz JKLWAKYESDQLJX-CYBMUJFWSA-N -1 1 353.430 2.186 20 0 FEADMM C[C@H](CO)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000126128884 543919728 /nfs/dbraw/zinc/91/97/28/543919728.db2.gz PYZDPDWEYCUDBD-GFCCVEGCSA-N -1 1 366.414 2.079 20 0 FEADMM CCC[C@@H](NC(=O)c1ncccc1[O-])C(=O)N1CCc2sccc2C1 ZINC000125647246 543894023 /nfs/dbraw/zinc/89/40/23/543894023.db2.gz MBDVBMCAFAFTFO-CYBMUJFWSA-N -1 1 359.451 2.332 20 0 FEADMM Cc1cccc(N2CCN(CCCNC(=O)c3c(O)cccc3O)CC2)c1 ZINC000125656927 543894327 /nfs/dbraw/zinc/89/43/27/543894327.db2.gz GERGHJSGQXOECT-UHFFFAOYSA-N -1 1 369.465 2.348 20 0 FEADMM CC(C)(C)c1ccccc1NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127157605 543976011 /nfs/dbraw/zinc/97/60/11/543976011.db2.gz AKBNZPSGYDCRKW-UHFFFAOYSA-N -1 1 362.455 2.392 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc1C(N)=O ZINC000126867724 543961057 /nfs/dbraw/zinc/96/10/57/543961057.db2.gz WXCURIDAMRCXFH-UHFFFAOYSA-N -1 1 365.459 2.086 20 0 FEADMM O=C(N[C@H]1CCCC[C@@H]1O)c1cc(I)ccc1[O-] ZINC000128142201 544035079 /nfs/dbraw/zinc/03/50/79/544035079.db2.gz GFCYMHFRHQKFMC-JQWIXIFHSA-N -1 1 361.179 2.030 20 0 FEADMM CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000128217085 544039439 /nfs/dbraw/zinc/03/94/39/544039439.db2.gz BBGXKYSWFSGTII-NSHDSACASA-N -1 1 355.232 2.286 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c1 ZINC000129268739 544102489 /nfs/dbraw/zinc/10/24/89/544102489.db2.gz ZVGTYGSGURCOPZ-UHFFFAOYSA-N -1 1 352.412 2.237 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)Cc2c(C)noc2C)c(=O)[n-]1 ZINC000129606428 544120499 /nfs/dbraw/zinc/12/04/99/544120499.db2.gz VBEWXGFWVBJUCF-VIFPVBQESA-N -1 1 364.471 2.085 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000129620624 544120725 /nfs/dbraw/zinc/12/07/25/544120725.db2.gz VXBAUDUYIMAMJV-GFCCVEGCSA-N -1 1 351.399 2.432 20 0 FEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000130876405 544168725 /nfs/dbraw/zinc/16/87/25/544168725.db2.gz VFILFSRVKOQFGU-ZDUSSCGKSA-N -1 1 351.428 2.196 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(F)cccc1Cl)N1CCc2ccccc21 ZINC000131471243 544191510 /nfs/dbraw/zinc/19/15/10/544191510.db2.gz JTGRPDVTWPNMKT-UHFFFAOYSA-N -1 1 368.817 2.347 20 0 FEADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)NCc1ccco1 ZINC000133317751 544264562 /nfs/dbraw/zinc/26/45/62/544264562.db2.gz FBLBXFOAEWSMNI-VIFPVBQESA-N -1 1 367.199 2.182 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000134424313 544307540 /nfs/dbraw/zinc/30/75/40/544307540.db2.gz ATUIZBHBVQTPFH-UHFFFAOYSA-N -1 1 363.292 2.452 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c1 ZINC000134180575 544297501 /nfs/dbraw/zinc/29/75/01/544297501.db2.gz MCMFXUYRPSQCJQ-UHFFFAOYSA-N -1 1 352.393 2.154 20 0 FEADMM COCCOCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151104709 544505141 /nfs/dbraw/zinc/50/51/41/544505141.db2.gz NPRFXYIAJZWBTK-UHFFFAOYSA-N -1 1 361.769 2.300 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)co1 ZINC000153102161 544733623 /nfs/dbraw/zinc/73/36/23/544733623.db2.gz JPPXNSWELQKUCP-QWHCGFSZSA-N -1 1 354.815 2.127 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1nn[n-]n1 ZINC000153928223 544841383 /nfs/dbraw/zinc/84/13/83/544841383.db2.gz CPFHEPMCZKGSHQ-GFCCVEGCSA-N -1 1 354.370 2.061 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)co1 ZINC000154464090 544909077 /nfs/dbraw/zinc/90/90/77/544909077.db2.gz LNYIZDJOANUPLD-YPMHNXCESA-N -1 1 352.412 2.394 20 0 FEADMM CO[C@@H](CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(F)(F)F ZINC000553541056 674269175 /nfs/dbraw/zinc/26/91/75/674269175.db2.gz CITLZCPAMHAIFV-QMMMGPOBSA-N -1 1 366.283 2.346 20 0 FEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000180507110 327688710 /nfs/dbraw/zinc/68/87/10/327688710.db2.gz FASQNBDFYYNBRM-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM CC[C@@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(OC)cc1 ZINC000180787247 327701850 /nfs/dbraw/zinc/70/18/50/327701850.db2.gz GOEQMKJOKFHFKX-MRXNPFEDSA-N -1 1 368.437 2.458 20 0 FEADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181161539 327718598 /nfs/dbraw/zinc/71/85/98/327718598.db2.gz GHWIMUKZTNOKMA-NSHDSACASA-N -1 1 366.414 2.273 20 0 FEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000185125138 327900991 /nfs/dbraw/zinc/90/09/91/327900991.db2.gz ZZFTUAXLEPQHTK-CQSZACIVSA-N -1 1 370.446 2.163 20 0 FEADMM Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000187004247 327996471 /nfs/dbraw/zinc/99/64/71/327996471.db2.gz MUNZYLSFYHOYPZ-HNNXBMFYSA-N -1 1 371.466 2.311 20 0 FEADMM CC(=O)N1CCN(Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000187155929 328005465 /nfs/dbraw/zinc/00/54/65/328005465.db2.gz GODMCMJQCTYLMM-UHFFFAOYSA-N -1 1 373.478 2.152 20 0 FEADMM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccn1 ZINC000187708334 328040875 /nfs/dbraw/zinc/04/08/75/328040875.db2.gz CDTOCQOHNMQJPJ-MRXNPFEDSA-N -1 1 370.377 2.117 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1C ZINC000187941931 328055525 /nfs/dbraw/zinc/05/55/25/328055525.db2.gz ZQTMSYFNGUCFSA-KOLCDFICSA-N -1 1 356.216 2.426 20 0 FEADMM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCC1=O ZINC000187998921 328059531 /nfs/dbraw/zinc/05/95/31/328059531.db2.gz ZTDBYEHYWOPPKR-SSDOTTSWSA-N -1 1 355.218 2.032 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NC[C@H]2CCN(c3ccccc3)C2)n1 ZINC000188097501 328065659 /nfs/dbraw/zinc/06/56/59/328065659.db2.gz YOXDHEHGMAWXQD-CQSZACIVSA-N -1 1 372.494 2.067 20 0 FEADMM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000188125490 328067686 /nfs/dbraw/zinc/06/76/86/328067686.db2.gz USOORYNXEWUFFV-GHMZBOCLSA-N -1 1 370.215 2.165 20 0 FEADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000188557855 328095194 /nfs/dbraw/zinc/09/51/94/328095194.db2.gz JOZWJQPKCSYHTF-UHFFFAOYSA-N -1 1 366.345 2.483 20 0 FEADMM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000189049974 328125819 /nfs/dbraw/zinc/12/58/19/328125819.db2.gz VOYYZTJWNKTEGP-LBPRGKRZSA-N -1 1 355.232 2.141 20 0 FEADMM O=C(CN1CCC(Oc2ccc(F)nc2)CC1)[N-]OCc1ccccc1 ZINC000190538932 328214688 /nfs/dbraw/zinc/21/46/88/328214688.db2.gz MQROTNILAHSHSH-UHFFFAOYSA-N -1 1 359.401 2.312 20 0 FEADMM Cc1ccc(C[C@H](CO)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000191002573 328245028 /nfs/dbraw/zinc/24/50/28/328245028.db2.gz XWOLXBUDJQRPKL-OAHLLOKOSA-N -1 1 357.454 2.018 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@]2(CO)CC(C)C)c(=O)[n-]1 ZINC000191483472 328267877 /nfs/dbraw/zinc/26/78/77/328267877.db2.gz AZGVIBLMJLGOHH-GOSISDBHSA-N -1 1 367.515 2.132 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cn1 ZINC000191879389 328286400 /nfs/dbraw/zinc/28/64/00/328286400.db2.gz JJOKJMIUPVAEGH-UHFFFAOYSA-N -1 1 352.160 2.262 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)N1CCCCC1 ZINC000191888988 328287022 /nfs/dbraw/zinc/28/70/22/328287022.db2.gz OLSTUCDMNCEOJZ-UHFFFAOYSA-N -1 1 369.245 2.423 20 0 FEADMM C[C@H](CCC(=O)Nc1n[n-]c(C(F)(F)F)n1)NC(=O)OC(C)(C)C ZINC000192412583 328317951 /nfs/dbraw/zinc/31/79/51/328317951.db2.gz UEWSBFIXRQHJHH-SSDOTTSWSA-N -1 1 351.329 2.455 20 0 FEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)cc2Br)C1=O ZINC000193173311 328361207 /nfs/dbraw/zinc/36/12/07/328361207.db2.gz VPJQKEFWBPTLSX-CYBMUJFWSA-N -1 1 374.622 2.468 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)c(F)c1 ZINC000194588723 328431032 /nfs/dbraw/zinc/43/10/32/328431032.db2.gz HHSLVFKSTWMRDQ-UHFFFAOYSA-N -1 1 365.430 2.095 20 0 FEADMM COC(=O)Cn1cnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)n1 ZINC000194947000 328448347 /nfs/dbraw/zinc/44/83/47/328448347.db2.gz KLGIAACXAGJBPT-UHFFFAOYSA-N -1 1 361.361 2.022 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000195070508 328454684 /nfs/dbraw/zinc/45/46/84/328454684.db2.gz CCUOWSDZRRZCFR-GFCCVEGCSA-N -1 1 368.256 2.414 20 0 FEADMM CO[C@@H](CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000195465483 328478902 /nfs/dbraw/zinc/47/89/02/328478902.db2.gz DWRSDRWMVURYDJ-KRWDZBQOSA-N -1 1 368.437 2.488 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(-c4cc[nH]n4)c3)cc2[nH]1 ZINC000046303251 324603908 /nfs/dbraw/zinc/60/39/08/324603908.db2.gz JYESWFRYDHQCMN-UHFFFAOYSA-N -1 1 355.379 2.047 20 0 FEADMM CC(C)(C)C(=O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230904211 328487286 /nfs/dbraw/zinc/48/72/86/328487286.db2.gz NMUZQPRSTLFJGZ-UHFFFAOYSA-N -1 1 361.179 2.342 20 0 FEADMM CCCCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000053676096 324746482 /nfs/dbraw/zinc/74/64/82/324746482.db2.gz LSXCZCZLGSLACU-UHFFFAOYSA-N -1 1 366.439 2.297 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000078419306 325045378 /nfs/dbraw/zinc/04/53/78/325045378.db2.gz QJTKUCGFWSIJRM-MRXNPFEDSA-N -1 1 368.433 2.256 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000078566654 325051900 /nfs/dbraw/zinc/05/19/00/325051900.db2.gz NORSOGYMTXTIDM-QGZVFWFLSA-N -1 1 354.406 2.009 20 0 FEADMM O=C(CCc1nc2cc(Br)ccc2s1)Nc1nnn[n-]1 ZINC000080353858 325129128 /nfs/dbraw/zinc/12/91/28/325129128.db2.gz NFYWGXZXQXGOIF-UHFFFAOYSA-N -1 1 353.205 2.143 20 0 FEADMM O=C(CCc1nc2cc(Br)ccc2s1)Nc1nn[n-]n1 ZINC000080353858 325129132 /nfs/dbraw/zinc/12/91/32/325129132.db2.gz NFYWGXZXQXGOIF-UHFFFAOYSA-N -1 1 353.205 2.143 20 0 FEADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c1 ZINC000084650275 325241416 /nfs/dbraw/zinc/24/14/16/325241416.db2.gz ROUIDWWNUIFOGJ-UHFFFAOYSA-N -1 1 358.778 2.387 20 0 FEADMM CCc1nc(S(=O)(=O)CCCC(=O)Nc2c(C)cccc2C)n[n-]1 ZINC000086170708 325262174 /nfs/dbraw/zinc/26/21/74/325262174.db2.gz DIPBWDDVWBUAFH-UHFFFAOYSA-N -1 1 350.444 2.177 20 0 FEADMM CCn1c(CCNC(=O)[C@H]2COc3ccc(F)cc3C2)n[n-]c1=S ZINC000090565213 325364423 /nfs/dbraw/zinc/36/44/23/325364423.db2.gz ULARNOIZFUYSFV-LLVKDONJSA-N -1 1 350.419 2.010 20 0 FEADMM CC[C@@H](CSC)N(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000091149877 325375330 /nfs/dbraw/zinc/37/53/30/325375330.db2.gz CRVVWADRMHWXIS-AWEZNQCLSA-N -1 1 360.483 2.283 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000111092017 325700832 /nfs/dbraw/zinc/70/08/32/325700832.db2.gz MNKWWMZUNYSJFX-UHFFFAOYSA-N -1 1 371.422 2.486 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)o1 ZINC000116366481 326009999 /nfs/dbraw/zinc/00/99/99/326009999.db2.gz PRDVTXFKDWQNEJ-UHFFFAOYSA-N -1 1 356.425 2.271 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C)[C@H]1C ZINC000118377439 326089787 /nfs/dbraw/zinc/08/97/87/326089787.db2.gz GDGAAWITZXZYMZ-CHWSQXEVSA-N -1 1 358.467 2.035 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1COc1ccccc1)c2=O ZINC000119250089 326141761 /nfs/dbraw/zinc/14/17/61/326141761.db2.gz ROFMHUDNDXOPCR-CYBMUJFWSA-N -1 1 352.394 2.358 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)C(C)C)co1 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ZINC000128557819 326525885 /nfs/dbraw/zinc/52/58/85/326525885.db2.gz VNIMMEAFVLOYFR-QGZVFWFLSA-N -1 1 368.437 2.224 20 0 FEADMM COC[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000130273638 326554018 /nfs/dbraw/zinc/55/40/18/326554018.db2.gz DMPWQOYSFDMDFS-MRVPVSSYSA-N -1 1 362.662 2.323 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@](C)(O)c1ccsc1 ZINC000131481268 326575401 /nfs/dbraw/zinc/57/54/01/326575401.db2.gz CXBKQYINENWVDU-SFHVURJKSA-N -1 1 374.466 2.070 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3CO)c2)cc1 ZINC000133440747 326608970 /nfs/dbraw/zinc/60/89/70/326608970.db2.gz IGGOTUJAHSQVQZ-KRWDZBQOSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(NCc1ccccc1OCCO)c1ccc(Br)c([O-])c1 ZINC000133599906 326611776 /nfs/dbraw/zinc/61/17/76/326611776.db2.gz BSQDJIBINWWXAK-UHFFFAOYSA-N -1 1 366.211 2.456 20 0 FEADMM COc1ccc(F)c([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c1 ZINC000137642269 326661376 /nfs/dbraw/zinc/66/13/76/326661376.db2.gz WWCGUVLBYBLFKG-UHFFFAOYSA-N -1 1 355.391 2.183 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000152659480 326713370 /nfs/dbraw/zinc/71/33/70/326713370.db2.gz KOLGBRZYINHCSE-LBPRGKRZSA-N -1 1 368.437 2.437 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)co1 ZINC000152665962 326713490 /nfs/dbraw/zinc/71/34/90/326713490.db2.gz LTBKQGPYHBSFJO-HOCLYGCPSA-N -1 1 362.451 2.329 20 0 FEADMM Cc1cccc([C@H](O)CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000153382189 326731632 /nfs/dbraw/zinc/73/16/32/326731632.db2.gz PVXZWFLTNFAGHA-QGZVFWFLSA-N -1 1 368.437 2.143 20 0 FEADMM CC[C@](C)(NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nccs1 ZINC000154167138 326753070 /nfs/dbraw/zinc/75/30/70/326753070.db2.gz PHAOYCCERZKUCK-KRWDZBQOSA-N -1 1 359.455 2.080 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000159079275 326918356 /nfs/dbraw/zinc/91/83/56/326918356.db2.gz ILRNPPBBUSULJS-YOEHRIQHSA-N -1 1 352.438 2.474 20 0 FEADMM O=C(Nc1ccncc1[O-])c1cc(Cn2cc(Br)cn2)on1 ZINC000162207666 327019798 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CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)s1 ZINC000173811702 327285804 /nfs/dbraw/zinc/28/58/04/327285804.db2.gz BDWSXEPCTSLWSM-UHFFFAOYSA-N -1 1 358.416 2.110 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)o1 ZINC000174225299 327314111 /nfs/dbraw/zinc/31/41/11/327314111.db2.gz HPDNDSBYNAKCQJ-ZFWWWQNUSA-N -1 1 362.451 2.454 20 0 FEADMM Cc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174529512 327332822 /nfs/dbraw/zinc/33/28/22/327332822.db2.gz BBHIGLXSPHJCKE-UHFFFAOYSA-N -1 1 368.378 2.036 20 0 FEADMM Cc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000174529512 327332824 /nfs/dbraw/zinc/33/28/24/327332824.db2.gz BBHIGLXSPHJCKE-UHFFFAOYSA-N -1 1 368.378 2.036 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccccc1OCc1ccc(F)cc1 ZINC000174584277 327336254 /nfs/dbraw/zinc/33/62/54/327336254.db2.gz TWIUNYLPMRRZHO-UHFFFAOYSA-N -1 1 370.384 2.179 20 0 FEADMM CC(C)[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)N1CCOCC1 ZINC000175302326 327385763 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FEADMM CCC[C@@]1(C)NC(=O)N(c2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1=O ZINC000272079638 329750383 /nfs/dbraw/zinc/75/03/83/329750383.db2.gz LKYMISLBDGISMC-MRXNPFEDSA-N -1 1 369.443 2.072 20 0 FEADMM COCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccco1 ZINC000272485129 329785011 /nfs/dbraw/zinc/78/50/11/329785011.db2.gz ZIFMQYFEQDCVQM-NSHDSACASA-N -1 1 357.384 2.024 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OC(C)C)co1 ZINC000272691078 329804951 /nfs/dbraw/zinc/80/49/51/329804951.db2.gz XDALKOZGSPQFQU-UHFFFAOYSA-N -1 1 356.375 2.366 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)N1CCC(C)CC1 ZINC000273679513 329883619 /nfs/dbraw/zinc/88/36/19/329883619.db2.gz KNLOQCWFPOYRJK-HNNXBMFYSA-N -1 1 368.499 2.103 20 0 FEADMM CCOc1cc(C(=O)NC2CCC(C(=O)NC)CC2)cc(Cl)c1[O-] ZINC000273821842 329894876 /nfs/dbraw/zinc/89/48/76/329894876.db2.gz DEMBVOWVGKAYCH-UHFFFAOYSA-N -1 1 354.834 2.479 20 0 FEADMM Cc1c(=O)[n-]c(SCCCN2C(=O)CNC2=O)nc1-c1ccccc1 ZINC000273951442 329905021 /nfs/dbraw/zinc/90/50/21/329905021.db2.gz DYEDZFRDVKEYHU-UHFFFAOYSA-N -1 1 358.423 2.192 20 0 FEADMM CCOC(=O)N1CC[C@H](NC(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000274550570 329960224 /nfs/dbraw/zinc/96/02/24/329960224.db2.gz HSGGXRVHSVZYDL-NSHDSACASA-N -1 1 356.806 2.405 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)o1 ZINC000274709315 329973118 /nfs/dbraw/zinc/97/31/18/329973118.db2.gz PRZKDNKBXWKFKN-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM CC(C)(O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000274770392 329978577 /nfs/dbraw/zinc/97/85/77/329978577.db2.gz LXDZZGAKFKUFNS-UHFFFAOYSA-N -1 1 362.451 2.378 20 0 FEADMM COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC000275036769 330004163 /nfs/dbraw/zinc/00/41/63/330004163.db2.gz QQYMSJXZXPOEEZ-UHFFFAOYSA-N -1 1 358.445 2.042 20 0 FEADMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000276457264 330153991 /nfs/dbraw/zinc/15/39/91/330153991.db2.gz OFBVFHFBLKYLRK-SSDOTTSWSA-N -1 1 363.340 2.265 20 0 FEADMM CCOc1cc(C(=O)NCCCC2N=NC(=S)N2C)cc(Cl)c1[O-] ZINC000294209490 330193222 /nfs/dbraw/zinc/19/32/22/330193222.db2.gz QMQMPNTZQHXRIS-UHFFFAOYSA-N -1 1 370.862 2.224 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)o1 ZINC000367241552 330234975 /nfs/dbraw/zinc/23/49/75/330234975.db2.gz YJWOXYJBONTQQL-INIZCTEOSA-N -1 1 370.377 2.038 20 0 FEADMM COc1cc(C(=O)N(C)C(C)(C)CN2CCOCC2)cc(Cl)c1[O-] ZINC000414052269 330257903 /nfs/dbraw/zinc/25/79/03/330257903.db2.gz PLKMLOVJPIVEFK-UHFFFAOYSA-N -1 1 356.850 2.237 20 0 FEADMM COCCCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000805042395 674314921 /nfs/dbraw/zinc/31/49/21/674314921.db2.gz QIEBGBFXIJTZMJ-UHFFFAOYSA-N -1 1 364.423 2.185 20 0 FEADMM C[C@H]1CCN(C(=O)OC[C@@H]2CCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805126248 674320882 /nfs/dbraw/zinc/32/08/82/674320882.db2.gz ODZBZOIAPNYBJE-BJDJZHNGSA-N -1 1 352.353 2.079 20 0 FEADMM O=C(OCc1ccccc1)N1CC(S(=O)(=O)[N-][C@H]2CCCC2(F)F)C1 ZINC000805141022 674322500 /nfs/dbraw/zinc/32/25/00/674322500.db2.gz AIJGGGFHUJWUQU-AWEZNQCLSA-N -1 1 374.409 2.115 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(C(C)(C)C)no1 ZINC000554702617 674330891 /nfs/dbraw/zinc/33/08/91/674330891.db2.gz BRYHZJRPZWABDT-VIFPVBQESA-N -1 1 353.400 2.135 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2Cn2ccnc2)sc1C ZINC000554911721 674340917 /nfs/dbraw/zinc/34/09/17/674340917.db2.gz IECDMYUVSPVZMK-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn[n-]n2)c(Br)c1 ZINC000805605734 674347314 /nfs/dbraw/zinc/34/73/14/674347314.db2.gz NNXVDQKLLWNUOH-MRVPVSSYSA-N -1 1 353.176 2.060 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc3c(F)cccc3c2)co1 ZINC000806084856 674366666 /nfs/dbraw/zinc/36/66/66/674366666.db2.gz FYOFXXVRUGDAET-UHFFFAOYSA-N -1 1 364.354 2.232 20 0 FEADMM O=C(NCCN=c1[n-]c(C(F)(F)F)c(Br)s1)C1CC1 ZINC000418832942 559418188 /nfs/dbraw/zinc/41/81/88/559418188.db2.gz QFHYWXFGPUPVNW-UHFFFAOYSA-N -1 1 358.183 2.863 20 0 FEADMM CC(C)c1cc(C(=O)Nc2nc(SCCO)n[nH]2)nn1-c1ccccc1 ZINC000155297272 545507667 /nfs/dbraw/zinc/50/76/67/545507667.db2.gz QNFSPAATBGNOLK-UHFFFAOYSA-N -1 1 372.454 2.451 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1-c1ccccn1 ZINC000155473671 545530435 /nfs/dbraw/zinc/53/04/35/545530435.db2.gz ZDBKFLYKQZMGCR-CQSZACIVSA-N -1 1 364.409 2.290 20 0 FEADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155585674 545545832 /nfs/dbraw/zinc/54/58/32/545545832.db2.gz VZBDBSGHCAVECX-QWHCGFSZSA-N -1 1 368.445 2.244 20 0 FEADMM N=c1nc(N2CCN(Cc3ccc(Oc4ccccc4)nn3)CC2)s[n-]1 ZINC000499055858 538869177 /nfs/dbraw/zinc/86/91/77/538869177.db2.gz YCEASHPCKKJVFL-UHFFFAOYSA-N -1 1 369.454 2.025 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1Br)c1nn[n-]n1 ZINC000156554311 545635410 /nfs/dbraw/zinc/63/54/10/545635410.db2.gz YTBVJDHXJHIKEB-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM CCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@@H]1CCc2ccccc2C1 ZINC000477621303 561149512 /nfs/dbraw/zinc/14/95/12/561149512.db2.gz LEXGLQFSARAEJP-CQSZACIVSA-N -1 1 357.410 2.306 20 0 FEADMM CCS(=O)(=O)c1ccc(-c2nc3cc(C(=O)OC)ccc3c(=O)[n-]2)cc1 ZINC000478261541 561163334 /nfs/dbraw/zinc/16/33/34/561163334.db2.gz BXFFQUABYSJSGV-UHFFFAOYSA-N -1 1 372.402 2.170 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CO)CCC(C)(C)C)c(=O)[n-]1 ZINC000478610512 561171005 /nfs/dbraw/zinc/17/10/05/561171005.db2.gz QXVAVVZUIRFIHN-LBPRGKRZSA-N -1 1 355.504 2.449 20 0 FEADMM CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000478679104 561172622 /nfs/dbraw/zinc/17/26/22/561172622.db2.gz QXMMCCPOHWQGTF-LLVKDONJSA-N -1 1 365.411 2.254 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](COC)c2ccc(CC)o2)o1 ZINC000479196116 561184197 /nfs/dbraw/zinc/18/41/97/561184197.db2.gz RPCJTNGKZYFZCG-LBPRGKRZSA-N -1 1 371.411 2.278 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(OC)cc3)CC2)o1 ZINC000479213350 561184797 /nfs/dbraw/zinc/18/47/97/561184797.db2.gz SBOXANFGMGHCRT-UHFFFAOYSA-N -1 1 365.407 2.433 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479265063 561186158 /nfs/dbraw/zinc/18/61/58/561186158.db2.gz YPPAGQYZGYBCHT-UHFFFAOYSA-N -1 1 363.395 2.276 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479482004 561190436 /nfs/dbraw/zinc/19/04/36/561190436.db2.gz RMJUFVUXARJLPQ-UHFFFAOYSA-N -1 1 363.420 2.028 20 0 FEADMM Cn1c(CNC(=O)c2nc3ccccc3c(=O)[n-]2)nc2cccc(Cl)c21 ZINC000479785923 561197056 /nfs/dbraw/zinc/19/70/56/561197056.db2.gz ZVOFGWYXVFAZGO-UHFFFAOYSA-N -1 1 367.796 2.393 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000175759256 546345080 /nfs/dbraw/zinc/34/50/80/546345080.db2.gz FPWWZZDTRCRQNA-CYBMUJFWSA-N -1 1 363.340 2.409 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)c1nn[n-]n1 ZINC000176740747 546482778 /nfs/dbraw/zinc/48/27/78/546482778.db2.gz FLXXSANFWDETEI-OAHLLOKOSA-N -1 1 352.398 2.445 20 0 FEADMM CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nn[n-]n1 ZINC000176760394 546484888 /nfs/dbraw/zinc/48/48/88/546484888.db2.gz YXOBCWSJTCCFBP-ZFWWWQNUSA-N -1 1 371.445 2.101 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)o1 ZINC000177362829 546601291 /nfs/dbraw/zinc/60/12/91/546601291.db2.gz AWPJQWXAGTZWKW-UHFFFAOYSA-N -1 1 360.391 2.483 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)N1Cc2ccccc2C1 ZINC000480987582 561222128 /nfs/dbraw/zinc/22/21/28/561222128.db2.gz MLFOGWZYPHNJQW-NSHDSACASA-N -1 1 366.389 2.174 20 0 FEADMM Cc1ncc(-c2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2)o1 ZINC000481553338 561236049 /nfs/dbraw/zinc/23/60/49/561236049.db2.gz ZUQMRZBJIXGVNJ-UHFFFAOYSA-N -1 1 352.350 2.119 20 0 FEADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000179010237 546886988 /nfs/dbraw/zinc/88/69/88/546886988.db2.gz WAJOHLDVRFHHLH-ZDUSSCGKSA-N -1 1 352.799 2.041 20 0 FEADMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000481812823 561243007 /nfs/dbraw/zinc/24/30/07/561243007.db2.gz JDRNKBMARQTETK-GFCCVEGCSA-N -1 1 353.378 2.449 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000179538430 546973461 /nfs/dbraw/zinc/97/34/61/546973461.db2.gz OAPSFKOREILKMS-NEPJUHHUSA-N -1 1 368.361 2.060 20 0 FEADMM C[C@H](CCc1ccccc1F)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179541652 546974216 /nfs/dbraw/zinc/97/42/16/546974216.db2.gz SNQVKRMWOMYFDP-LLVKDONJSA-N -1 1 366.414 2.386 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000179541614 546974259 /nfs/dbraw/zinc/97/42/59/546974259.db2.gz BGQLMKSJUGJJQI-GHMZBOCLSA-N -1 1 368.361 2.060 20 0 FEADMM Cc1cnc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000180088834 547049904 /nfs/dbraw/zinc/04/99/04/547049904.db2.gz SLYPJQPWWBBYEY-UHFFFAOYSA-N -1 1 368.303 2.457 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H]1CC[C@H](C)C1 ZINC000482659421 561257841 /nfs/dbraw/zinc/25/78/41/561257841.db2.gz NOROZSARZHEGBB-WFASDCNBSA-N -1 1 360.458 2.258 20 0 FEADMM C[C@@H](O)[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000181009604 547229837 /nfs/dbraw/zinc/22/98/37/547229837.db2.gz ZVCRQMZMHNKTPQ-ZBFHGGJFSA-N -1 1 374.462 2.330 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000181028599 547233469 /nfs/dbraw/zinc/23/34/69/547233469.db2.gz IGFWJHAAFSIGRP-UHFFFAOYSA-N -1 1 360.435 2.490 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000483081466 561266821 /nfs/dbraw/zinc/26/68/21/561266821.db2.gz XSFJACACEKPMOB-LBPRGKRZSA-N -1 1 361.471 2.277 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)c(C)c1F ZINC000181145247 547257877 /nfs/dbraw/zinc/25/78/77/547257877.db2.gz WZMXVQNZUHWZGM-UHFFFAOYSA-N -1 1 356.350 2.182 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2O)cc1C(=O)[O-] ZINC000484061684 561290723 /nfs/dbraw/zinc/29/07/23/561290723.db2.gz ZHMILEFJQKMTKE-UHFFFAOYSA-N -1 1 367.379 2.299 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000182805681 547555360 /nfs/dbraw/zinc/55/53/60/547555360.db2.gz PFGHAFBMKFVVMD-PXAZEXFGSA-N -1 1 365.437 2.187 20 0 FEADMM CS(=O)(=O)c1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000484256168 561294664 /nfs/dbraw/zinc/29/46/64/561294664.db2.gz LEHDZGYHXGPKCZ-UHFFFAOYSA-N -1 1 369.402 2.297 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@H](C)c1ccc(Br)s1)c1nn[n-]n1 ZINC000183430872 547657792 /nfs/dbraw/zinc/65/77/92/547657792.db2.gz OHTAVBNLZVJPOQ-JGVFFNPUSA-N -1 1 358.265 2.389 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000484691772 561303587 /nfs/dbraw/zinc/30/35/87/561303587.db2.gz VEZNNBYXCXXXJT-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM CCCOC1(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CCCCC1 ZINC000484766919 561305578 /nfs/dbraw/zinc/30/55/78/561305578.db2.gz JOYKRQKHSNKIOF-UHFFFAOYSA-N -1 1 359.444 2.474 20 0 FEADMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cn(-c2ccccc2)nn1 ZINC000484962975 561309322 /nfs/dbraw/zinc/30/93/22/561309322.db2.gz MSNHZQHZUBCYLG-UHFFFAOYSA-N -1 1 354.317 2.476 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000184915236 547899655 /nfs/dbraw/zinc/89/96/55/547899655.db2.gz IMWPJXZCVSEDMV-WCQYABFASA-N -1 1 372.462 2.231 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)N1CCC(C)CC1 ZINC000184966869 547909386 /nfs/dbraw/zinc/90/93/86/547909386.db2.gz ZPZAZNPOBVCWQE-GFCCVEGCSA-N -1 1 374.890 2.437 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1Cl ZINC000485288185 561316324 /nfs/dbraw/zinc/31/63/24/561316324.db2.gz IKNPKWMKCVXBNU-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM COc1ccc(CN2CC[C@H](NC(=O)c3c([O-])cccc3F)C2=O)cc1 ZINC000185429431 547984088 /nfs/dbraw/zinc/98/40/88/547984088.db2.gz CEEDFCUPPBTERX-HNNXBMFYSA-N -1 1 358.369 2.071 20 0 FEADMM COC1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCCCC1 ZINC000185431628 547984147 /nfs/dbraw/zinc/98/41/47/547984147.db2.gz WOHTWWJHDGUJLL-UHFFFAOYSA-N -1 1 360.458 2.450 20 0 FEADMM COC1(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCCC1 ZINC000185450814 547986731 /nfs/dbraw/zinc/98/67/31/547986731.db2.gz BUPRYRJPQLOBCJ-UHFFFAOYSA-N -1 1 370.453 2.148 20 0 FEADMM COC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCCC1 ZINC000185471473 547988716 /nfs/dbraw/zinc/98/87/16/547988716.db2.gz KCOHUDFRHCDHAD-UHFFFAOYSA-N -1 1 370.453 2.148 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2ncsc2c1 ZINC000485628372 561324370 /nfs/dbraw/zinc/32/43/70/561324370.db2.gz OBESGLXBXBRENH-SNVBAGLBSA-N -1 1 356.407 2.004 20 0 FEADMM CCOc1cc(C(=O)N[C@H](C)C(=O)NCc2ccco2)cc(Cl)c1[O-] ZINC000186715382 548179505 /nfs/dbraw/zinc/17/95/05/548179505.db2.gz NIGMSAXWNLTYIR-SNVBAGLBSA-N -1 1 366.801 2.472 20 0 FEADMM CCOc1cc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000186863251 548208122 /nfs/dbraw/zinc/20/81/22/548208122.db2.gz AXKWWLKQRCZUOM-STQMWFEESA-N -1 1 352.818 2.328 20 0 FEADMM O=c1cc(/C=C\c2cc3c(cc2Br)OCO3)nc2nc[n-]n21 ZINC000486145208 561339216 /nfs/dbraw/zinc/33/92/16/561339216.db2.gz HYVNAMAZKRIZLB-UPHRSURJSA-N -1 1 361.155 2.079 20 0 FEADMM O=c1cc(/C=C/c2cc3c(cc2Br)OCO3)nc2nc[n-]n21 ZINC000486145203 561339304 /nfs/dbraw/zinc/33/93/04/561339304.db2.gz HYVNAMAZKRIZLB-OWOJBTEDSA-N -1 1 361.155 2.079 20 0 FEADMM CCOc1ccccc1[C@H](CC)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000486215039 561341269 /nfs/dbraw/zinc/34/12/69/561341269.db2.gz LQJGTWXWNZEKNR-AWEZNQCLSA-N -1 1 357.410 2.183 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1C ZINC000486544366 561350257 /nfs/dbraw/zinc/35/02/57/561350257.db2.gz KHZRLNPOTSTQNP-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(N(C)C)cn1 ZINC000194606779 548504085 /nfs/dbraw/zinc/50/40/85/548504085.db2.gz GDWSBGHPLXARGL-UHFFFAOYSA-N -1 1 354.414 2.084 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000486823052 561357599 /nfs/dbraw/zinc/35/75/99/561357599.db2.gz KKEJLMRVUHKEBX-AWEZNQCLSA-N -1 1 366.414 2.129 20 0 FEADMM CCCN(CCc1cccc(F)c1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000486843372 561357920 /nfs/dbraw/zinc/35/79/20/561357920.db2.gz KJRCVBQPTLCIPB-UHFFFAOYSA-N -1 1 359.401 2.137 20 0 FEADMM CCCN(CCC)C(=O)CS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195127086 548580784 /nfs/dbraw/zinc/58/07/84/548580784.db2.gz AHRISKHGSZWZNW-UHFFFAOYSA-N -1 1 368.434 2.033 20 0 FEADMM CCCN(CCC)C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195127086 548580789 /nfs/dbraw/zinc/58/07/89/548580789.db2.gz AHRISKHGSZWZNW-UHFFFAOYSA-N -1 1 368.434 2.033 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cccc(OC)c3)n2)cc1 ZINC000195122653 548580918 /nfs/dbraw/zinc/58/09/18/548580918.db2.gz LCDOTVMZRLMWIH-UHFFFAOYSA-N -1 1 359.407 2.463 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3cccc(OC)c3)n[n-]2)cc1 ZINC000195122653 548580924 /nfs/dbraw/zinc/58/09/24/548580924.db2.gz LCDOTVMZRLMWIH-UHFFFAOYSA-N -1 1 359.407 2.463 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccn(C(C)C)n3)n2)cc1 ZINC000195121215 548581466 /nfs/dbraw/zinc/58/14/66/548581466.db2.gz JETZAFAZRAZIOO-UHFFFAOYSA-N -1 1 361.427 2.232 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3ccn(C(C)C)n3)n[n-]2)cc1 ZINC000195121215 548581469 /nfs/dbraw/zinc/58/14/69/548581469.db2.gz JETZAFAZRAZIOO-UHFFFAOYSA-N -1 1 361.427 2.232 20 0 FEADMM CC(C)c1nc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)no1 ZINC000195130448 548582026 /nfs/dbraw/zinc/58/20/26/548582026.db2.gz QVXBVVSZCYAHAR-UHFFFAOYSA-N -1 1 351.363 2.091 20 0 FEADMM CC(C)c1nc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)no1 ZINC000195130448 548582029 /nfs/dbraw/zinc/58/20/29/548582029.db2.gz QVXBVVSZCYAHAR-UHFFFAOYSA-N -1 1 351.363 2.091 20 0 FEADMM Cc1ccccc1NC(=O)CS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000195130353 548582805 /nfs/dbraw/zinc/58/28/05/548582805.db2.gz DORGHCFDZBRVCH-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM Cc1ccccc1NC(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195130353 548582807 /nfs/dbraw/zinc/58/28/07/548582807.db2.gz DORGHCFDZBRVCH-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195171573 548590110 /nfs/dbraw/zinc/59/01/10/548590110.db2.gz SNAZQDICTZRFQP-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195171573 548590117 /nfs/dbraw/zinc/59/01/17/548590117.db2.gz SNAZQDICTZRFQP-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195171573 548590119 /nfs/dbraw/zinc/59/01/19/548590119.db2.gz SNAZQDICTZRFQP-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000195443167 548640806 /nfs/dbraw/zinc/64/08/06/548640806.db2.gz OVHAIUPAVLGCIW-TVQRCGJNSA-N -1 1 359.835 2.075 20 0 FEADMM Cc1cc(CNC(=O)c2cc(I)ccc2[O-])no1 ZINC000219967920 548698293 /nfs/dbraw/zinc/69/82/93/548698293.db2.gz NIUWJAMXVWFGED-UHFFFAOYSA-N -1 1 358.135 2.223 20 0 FEADMM C[C@H](Cn1cccn1)NC(=O)c1cc(I)ccc1[O-] ZINC000221856878 548706037 /nfs/dbraw/zinc/70/60/37/548706037.db2.gz KYIUMGYZUBPNFP-SECBINFHSA-N -1 1 371.178 2.012 20 0 FEADMM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487386516 561368755 /nfs/dbraw/zinc/36/87/55/561368755.db2.gz IBOUWKXBFYEGKI-WFASDCNBSA-N -1 1 357.385 2.266 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@@H]1C1CC1)c1sccc1Br ZINC000230311142 548759880 /nfs/dbraw/zinc/75/98/80/548759880.db2.gz WRTKNGGAQQLDPA-VHSXEESVSA-N -1 1 352.275 2.356 20 0 FEADMM O=C(NCC[C@H]1CCOC1)c1ccc(I)c([O-])c1 ZINC000230909715 548762386 /nfs/dbraw/zinc/76/23/86/548762386.db2.gz GKOJAAMVFVZZET-VIFPVBQESA-N -1 1 361.179 2.153 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000237565760 548835339 /nfs/dbraw/zinc/83/53/39/548835339.db2.gz UKMHLCLXLPZTSN-CABCVRRESA-N -1 1 368.499 2.103 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000488323660 561387952 /nfs/dbraw/zinc/38/79/52/561387952.db2.gz SYIZSNCHFQOIPD-JTQLQIEISA-N -1 1 365.411 2.362 20 0 FEADMM COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000488429507 561389831 /nfs/dbraw/zinc/38/98/31/561389831.db2.gz CPTWLYNZUZOTEC-UHFFFAOYSA-N -1 1 356.429 2.111 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cnc1C ZINC000489112892 561403661 /nfs/dbraw/zinc/40/36/61/561403661.db2.gz DFDKHSZLJQUOQX-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM NC(=O)c1ccc(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1 ZINC000489601083 561415096 /nfs/dbraw/zinc/41/50/96/561415096.db2.gz GAXVKPXJDZNKLE-UHFFFAOYSA-N -1 1 361.361 2.498 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCc3cccc(F)c32)ccc1[O-] ZINC000489612041 561415507 /nfs/dbraw/zinc/41/55/07/561415507.db2.gz XRIUPPLCCMOIQN-UHFFFAOYSA-N -1 1 350.371 2.241 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000490013194 561424662 /nfs/dbraw/zinc/42/46/62/561424662.db2.gz ZYKYXFNVUGGWMF-DIFFPNOSSA-N -1 1 357.385 2.096 20 0 FEADMM C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(N)=O ZINC000490074289 561425914 /nfs/dbraw/zinc/42/59/14/561425914.db2.gz UBNIWSSKBJELJC-IINYFYTJSA-N -1 1 370.833 2.415 20 0 FEADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n[nH]1 ZINC000490263333 561429940 /nfs/dbraw/zinc/42/99/40/561429940.db2.gz SYEYQLQBHDCOGW-VHSXEESVSA-N -1 1 366.443 2.455 20 0 FEADMM CN(CCC(=O)[O-])CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000262677897 549838425 /nfs/dbraw/zinc/83/84/25/549838425.db2.gz UTRWEMDEFHHMMH-UHFFFAOYSA-N -1 1 356.422 2.288 20 0 FEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263184781 549884171 /nfs/dbraw/zinc/88/41/71/549884171.db2.gz USQUFEBGSAILAE-BRWVUGGUSA-N -1 1 354.491 2.275 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)n[nH]2)cc1OC ZINC000263203912 549885761 /nfs/dbraw/zinc/88/57/61/549885761.db2.gz MTLFZKNFARJMHP-WCQYABFASA-N -1 1 373.409 2.419 20 0 FEADMM CC(=O)NCCN(Cc1ccc(-c2ccncc2)cc1F)[C@@H](C)C(=O)[O-] ZINC000263407695 549900195 /nfs/dbraw/zinc/90/01/95/549900195.db2.gz KIMVSUUFJWECDC-ZDUSSCGKSA-N -1 1 359.401 2.299 20 0 FEADMM CC(C)[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])c2ccccc2N1 ZINC000491083954 561442751 /nfs/dbraw/zinc/44/27/51/561442751.db2.gz IEHWGNSFYBXVSQ-CQSZACIVSA-N -1 1 354.410 2.000 20 0 FEADMM CCC[C@H](NC(=O)CCSc1ccc2c(c1)OCCO2)c1nn[n-]n1 ZINC000268258488 550041378 /nfs/dbraw/zinc/04/13/78/550041378.db2.gz YQWSJQLHRRTLAS-LBPRGKRZSA-N -1 1 363.443 2.111 20 0 FEADMM CCC[C@H](NC(=O)CCCCNC(=O)OCc1ccccc1)c1nn[n-]n1 ZINC000268413654 550061367 /nfs/dbraw/zinc/06/13/67/550061367.db2.gz IXBCFZOJSFBBLJ-HNNXBMFYSA-N -1 1 374.445 2.254 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCSCC1 ZINC000270267074 550257948 /nfs/dbraw/zinc/25/79/48/550257948.db2.gz QPDJJJYPAPUHJG-UHFFFAOYSA-N -1 1 367.851 2.196 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cn1 ZINC000270338401 550263167 /nfs/dbraw/zinc/26/31/67/550263167.db2.gz PRCPDKHENYYFFL-UHFFFAOYSA-N -1 1 371.369 2.144 20 0 FEADMM COc1cccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1O ZINC000494147655 561463484 /nfs/dbraw/zinc/46/34/84/561463484.db2.gz DXCDTNFXDQVTPJ-UHFFFAOYSA-N -1 1 366.377 2.036 20 0 FEADMM CC(C)[C@@H](CO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000272218749 550429319 /nfs/dbraw/zinc/42/93/19/550429319.db2.gz SXLIDBBLKRWFCS-LLVKDONJSA-N -1 1 364.320 2.250 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC[C@@H]2CCO[C@H](C)C2)c(=O)[n-]1 ZINC000273622410 550505721 /nfs/dbraw/zinc/50/57/21/550505721.db2.gz VXEAAJZBIFTZKQ-DGCLKSJQSA-N -1 1 353.488 2.467 20 0 FEADMM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000494573817 561471956 /nfs/dbraw/zinc/47/19/56/561471956.db2.gz HXXBFHOGIDWCNJ-UHFFFAOYSA-N -1 1 352.362 2.414 20 0 FEADMM CCOc1cc(C(=O)NCC2N=NC(=S)N2CC)cc(Cl)c1[O-] ZINC000273964738 550517362 /nfs/dbraw/zinc/51/73/62/550517362.db2.gz PTLPLHOZWGSQCY-UHFFFAOYSA-N -1 1 356.835 2.274 20 0 FEADMM CCCOc1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000274127285 550524200 /nfs/dbraw/zinc/52/42/00/550524200.db2.gz HAQNNOPPEQULNX-UHFFFAOYSA-N -1 1 370.452 2.197 20 0 FEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)/C=C/c1ccccc1Cl ZINC000274971451 550568467 /nfs/dbraw/zinc/56/84/67/550568467.db2.gz KJGBXCZIQUIVSH-SHQCLWGWSA-N -1 1 372.874 2.169 20 0 FEADMM CN(C)C(=O)COc1ccccc1CNCc1ccccc1CC(=O)[O-] ZINC000276980926 550617687 /nfs/dbraw/zinc/61/76/87/550617687.db2.gz IMJUKFGOIXLPKL-UHFFFAOYSA-N -1 1 356.422 2.071 20 0 FEADMM O=c1[nH]c(NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)nc2[nH]ncc21 ZINC000277257706 550648589 /nfs/dbraw/zinc/64/85/89/550648589.db2.gz WISLINNECZGZRV-RDTXWAMCSA-N -1 1 357.389 2.383 20 0 FEADMM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1cccc(F)c1F ZINC000277445719 550671524 /nfs/dbraw/zinc/67/15/24/550671524.db2.gz FTLXHSSXIHQKGR-UHFFFAOYSA-N -1 1 351.268 2.160 20 0 FEADMM COC(=O)C1=C(C)O[C@@H](CSc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000277491098 550676893 /nfs/dbraw/zinc/67/68/93/550676893.db2.gz CRHDHEGMWAELRM-GFCCVEGCSA-N -1 1 366.439 2.392 20 0 FEADMM O=S(=O)([N-]CC1(N2CCOCC2)CC1)c1cc(Cl)sc1Cl ZINC000277508015 550678942 /nfs/dbraw/zinc/67/89/42/550678942.db2.gz QOBHTEFQIJVVLA-UHFFFAOYSA-N -1 1 371.311 2.198 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3Cc4ccccc4C3)CC2)n1 ZINC000277649035 550696520 /nfs/dbraw/zinc/69/65/20/550696520.db2.gz ICRGRSIDTGBVOS-UHFFFAOYSA-N -1 1 368.437 2.102 20 0 FEADMM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000277665459 550698693 /nfs/dbraw/zinc/69/86/93/550698693.db2.gz FVHMOBXNUUAYJP-RDDDGLTNSA-N -1 1 370.215 2.431 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)n1 ZINC000277689992 550701920 /nfs/dbraw/zinc/70/19/20/550701920.db2.gz LDDSOGQMHINWAE-CYBMUJFWSA-N -1 1 356.426 2.491 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000277733649 550707645 /nfs/dbraw/zinc/70/76/45/550707645.db2.gz HXYUAECTUZZGPG-JTQLQIEISA-N -1 1 366.462 2.431 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(C(C)=O)c3)CC2)n1 ZINC000277807851 550716481 /nfs/dbraw/zinc/71/64/81/550716481.db2.gz UOVFGEOXIXCEDI-UHFFFAOYSA-N -1 1 370.409 2.204 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C=Cc3cccc(O)c3)CC2)n1 ZINC000277845621 550720830 /nfs/dbraw/zinc/72/08/30/550720830.db2.gz XEELHNJWCXJYLW-VOTSOKGWSA-N -1 1 370.409 2.106 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccc4c(c3)CCC4)no2)co1 ZINC000278253921 550765716 /nfs/dbraw/zinc/76/57/16/550765716.db2.gz ZEPNBEZWKFKLRO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/96/21/53/550962153.db2.gz CEBJAENVKYICBX-LRDDRELGSA-N -1 1 371.409 2.124 20 0 FEADMM O=C(C(=O)N1CCCN(C(=O)c2ccsc2)CC1)c1ccc([O-])cc1 ZINC000280897299 551043632 /nfs/dbraw/zinc/04/36/32/551043632.db2.gz HIDJAJWCJUHEAP-UHFFFAOYSA-N -1 1 358.419 2.011 20 0 FEADMM C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)c3ccc([O-])cc3)c2)CCO1 ZINC000280900998 551043839 /nfs/dbraw/zinc/04/38/39/551043839.db2.gz HNILUTJXOIKJDH-OAHLLOKOSA-N -1 1 368.433 2.112 20 0 FEADMM COc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)n1 ZINC000281426927 551095968 /nfs/dbraw/zinc/09/59/68/551095968.db2.gz DVHNOWNLEQTQRN-UHFFFAOYSA-N -1 1 374.363 2.321 20 0 FEADMM COC(=O)c1cccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281616970 551121109 /nfs/dbraw/zinc/12/11/09/551121109.db2.gz FOFVEUIBIMIAFN-UHFFFAOYSA-N -1 1 372.343 2.004 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2SC)co1 ZINC000282294732 551207595 /nfs/dbraw/zinc/20/75/95/551207595.db2.gz YPZZPAGKLZLKGN-JTQLQIEISA-N -1 1 354.453 2.401 20 0 FEADMM COC(=O)[C@]1(F)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000282367426 551218355 /nfs/dbraw/zinc/21/83/55/551218355.db2.gz BTCUWBQEEIEMBN-INIZCTEOSA-N -1 1 352.749 2.321 20 0 FEADMM O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282939895 551287601 /nfs/dbraw/zinc/28/76/01/551287601.db2.gz PNZKSIPEEARIEU-NSHDSACASA-N -1 1 357.801 2.319 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)ccc1OCC(C)C ZINC000282957655 551289846 /nfs/dbraw/zinc/28/98/46/551289846.db2.gz QYMZBQHEHSMCHJ-CQSZACIVSA-N -1 1 374.441 2.161 20 0 FEADMM O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283029638 551300230 /nfs/dbraw/zinc/30/02/30/551300230.db2.gz YHQOIQZPDWCBIP-SNVBAGLBSA-N -1 1 372.816 2.161 20 0 FEADMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000283041476 551302330 /nfs/dbraw/zinc/30/23/30/551302330.db2.gz GQWMLLVXXAHNCO-RGRAPAJPSA-N -1 1 352.394 2.101 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC(=O)N(Cc4ccccc4)C3)cnc2n1 ZINC000497682899 561506149 /nfs/dbraw/zinc/50/61/49/561506149.db2.gz GCVAPNFVGQYMDH-UHFFFAOYSA-N -1 1 362.389 2.086 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(=O)N(Cc3ccccc3)C1)c2=O ZINC000497682899 561506151 /nfs/dbraw/zinc/50/61/51/561506151.db2.gz GCVAPNFVGQYMDH-UHFFFAOYSA-N -1 1 362.389 2.086 20 0 FEADMM CS(=O)(=O)[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000283524954 551381690 /nfs/dbraw/zinc/38/16/90/551381690.db2.gz GGZDROSJOHQEAD-NSHDSACASA-N -1 1 368.842 2.243 20 0 FEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000498030050 561514222 /nfs/dbraw/zinc/51/42/22/561514222.db2.gz GRSOQBXXWZTEES-UHFFFAOYSA-N -1 1 364.408 2.121 20 0 FEADMM Cn1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000498203461 561518387 /nfs/dbraw/zinc/51/83/87/561518387.db2.gz CWCQGXFTCPHISL-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM CN(C(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1)[C@H]1CCCc2ccccc21 ZINC000284396824 551540749 /nfs/dbraw/zinc/54/07/49/551540749.db2.gz WCASBNGTDVGNJE-RDJZCZTQSA-N -1 1 370.453 2.078 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Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCOC[C@H]1C ZINC000286841248 551932269 /nfs/dbraw/zinc/93/22/69/551932269.db2.gz LTKJOZPJDCQRAK-UKRRQHHQSA-N -1 1 370.453 2.274 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3ccc(OC(C)(C)C)nc3)ccnc1-2 ZINC000287516179 552014309 /nfs/dbraw/zinc/01/43/09/552014309.db2.gz HYOOVCWWYBGJRS-UCQKPKSFSA-N -1 1 354.414 2.236 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCCCOCCc3ccccc3)ccnc1-2 ZINC000287622270 552026656 /nfs/dbraw/zinc/02/66/56/552026656.db2.gz NOVSVBWJZVWPSJ-QJOMJCCJSA-N -1 1 353.426 2.113 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC(C)(C)COCc3ccccc3)ccnc1-2 ZINC000287641348 552029318 /nfs/dbraw/zinc/02/93/18/552029318.db2.gz OPDRXCYQXDWXTL-JWGURIENSA-N -1 1 353.426 2.459 20 0 FEADMM COCCCO[N-]C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000287877171 552057927 /nfs/dbraw/zinc/05/79/27/552057927.db2.gz QIDXTIWLNMJUCS-CYBMUJFWSA-N -1 1 374.359 2.138 20 0 FEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000288467314 552158103 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/nfs/dbraw/zinc/67/20/36/552672036.db2.gz IBDVCHWAVFLDAI-HNAYVOBHSA-N -1 1 372.446 2.143 20 0 FEADMM Cc1c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cnn1C ZINC000291934375 552676370 /nfs/dbraw/zinc/67/63/70/552676370.db2.gz OUWUWBDCRNCJNT-AWEZNQCLSA-N -1 1 361.427 2.257 20 0 FEADMM CO[C@](C)(CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000292356076 552719047 /nfs/dbraw/zinc/71/90/47/552719047.db2.gz FDQCSVCSHHJHPO-LJQANCHMSA-N -1 1 356.426 2.026 20 0 FEADMM COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000293553492 552834840 /nfs/dbraw/zinc/83/48/40/552834840.db2.gz CGUBLIVWPGOVEK-BZNIZROVSA-N -1 1 369.364 2.101 20 0 FEADMM CC[C@H](C)CO[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000293662153 552844984 /nfs/dbraw/zinc/84/49/84/552844984.db2.gz HTEIOLNXTHNXNV-LBPRGKRZSA-N -1 1 360.501 2.169 20 0 FEADMM COC[C@H]1CCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000293775487 552855444 /nfs/dbraw/zinc/85/54/44/552855444.db2.gz BBXNYDRSCKWZRZ-SNVBAGLBSA-N -1 1 362.304 2.364 20 0 FEADMM CCOC(=O)[C@H](F)C1CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000294080204 552880407 /nfs/dbraw/zinc/88/04/07/552880407.db2.gz IDAMTEBNIGEHLC-GFCCVEGCSA-N -1 1 360.179 2.128 20 0 FEADMM C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294391245 552902356 /nfs/dbraw/zinc/90/23/56/552902356.db2.gz VIVVWWYMHJWWGM-CQSZACIVSA-N -1 1 351.878 2.174 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000501833236 561606259 /nfs/dbraw/zinc/60/62/59/561606259.db2.gz YIOQTWWRQJUNMD-UHFFFAOYSA-N -1 1 363.391 2.435 20 0 FEADMM CC(C)c1ccc(C[C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000501841602 561606373 /nfs/dbraw/zinc/60/63/73/561606373.db2.gz KQPTWXLZZCPNDW-CQSZACIVSA-N -1 1 355.438 2.388 20 0 FEADMM CS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000294737180 552930543 /nfs/dbraw/zinc/93/05/43/552930543.db2.gz XWKGYTRMJPSQLP-JTQLQIEISA-N -1 1 365.373 2.308 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cnc(C2CC2)nc1 ZINC000294848088 552938497 /nfs/dbraw/zinc/93/84/97/552938497.db2.gz ATKKPADRGLKPDC-UHFFFAOYSA-N -1 1 350.375 2.117 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000295319612 552986913 /nfs/dbraw/zinc/98/69/13/552986913.db2.gz WHCBSHDRAVQEGZ-LBPRGKRZSA-N -1 1 373.413 2.236 20 0 FEADMM O=c1[n-]nc([C@H]2CCCN(C[C@H](O)c3cccc(Br)c3)C2)o1 ZINC000295354395 552992428 /nfs/dbraw/zinc/99/24/28/552992428.db2.gz OAXDJHGGDNBHRD-AAEUAGOBSA-N -1 1 368.231 2.038 20 0 FEADMM O=C(N[C@H]1CC[C@@H](CO)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000295370457 552995137 /nfs/dbraw/zinc/99/51/37/552995137.db2.gz DLSQBMVLNUWHCM-PBHICJAKSA-N -1 1 374.462 2.378 20 0 FEADMM COC(=O)c1cnc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)cn1 ZINC000502124002 561612464 /nfs/dbraw/zinc/61/24/64/561612464.db2.gz NGAGGKGVTFZAIG-UHFFFAOYSA-N -1 1 373.369 2.097 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000296082119 553102062 /nfs/dbraw/zinc/10/20/62/553102062.db2.gz OOJOOYCPXHUGNA-GFCCVEGCSA-N -1 1 364.446 2.091 20 0 FEADMM CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000296916039 553228921 /nfs/dbraw/zinc/22/89/21/553228921.db2.gz KJPYLPMYSAWQOO-SNVBAGLBSA-N -1 1 372.368 2.036 20 0 FEADMM CNC(=O)c1[nH]nnc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000297694153 553325814 /nfs/dbraw/zinc/32/58/14/553325814.db2.gz JFNPIKQMIGAMKM-UHFFFAOYSA-N -1 1 353.835 2.329 20 0 FEADMM CNC(=O)c1[nH]nnc1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000297769937 553336753 /nfs/dbraw/zinc/33/67/53/553336753.db2.gz PSYIKFXQXRMMHN-MRVPVSSYSA-N -1 1 355.320 2.000 20 0 FEADMM C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000503475291 561642314 /nfs/dbraw/zinc/64/23/14/561642314.db2.gz KZDVYPKBURSCOF-WBVHZDCISA-N -1 1 374.510 2.333 20 0 FEADMM O=C(c1coc(-c2ccccc2Cl)n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298827947 553478404 /nfs/dbraw/zinc/47/84/04/553478404.db2.gz BXOBIIVEPMXMRQ-SNVBAGLBSA-N -1 1 373.800 2.426 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000299344766 553550859 /nfs/dbraw/zinc/55/08/59/553550859.db2.gz KHUBMRNYDUFNBM-STQMWFEESA-N -1 1 356.426 2.121 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1OCCC2=O ZINC000504042440 561652241 /nfs/dbraw/zinc/65/22/41/561652241.db2.gz IIZJXKTXRXGZTO-UHFFFAOYSA-N -1 1 361.375 2.459 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCOc1ccc(F)cc1 ZINC000299552747 553580077 /nfs/dbraw/zinc/58/00/77/553580077.db2.gz DHTIWESPBDONQP-UHFFFAOYSA-N -1 1 372.400 2.319 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(C(=O)N(C)C)CC3)nc2)[n-]c(=O)c1C ZINC000301374234 553646220 /nfs/dbraw/zinc/64/62/20/553646220.db2.gz UXROPZVTXAZWHQ-UHFFFAOYSA-N -1 1 355.442 2.166 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2sc([C@H](C)OC)nc2C)s1 ZINC000505100125 561666243 /nfs/dbraw/zinc/66/62/43/561666243.db2.gz BPXOHGBIRLYGTE-QMMMGPOBSA-N -1 1 370.456 2.368 20 0 FEADMM COCC1(CNC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCC1 ZINC000505272425 561669001 /nfs/dbraw/zinc/66/90/01/561669001.db2.gz PYHDSOPTDJERLI-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM O=S(=O)([N-][C@H]1CCC[C@@H](CO)C1)c1sccc1Br ZINC000310730510 553753425 /nfs/dbraw/zinc/75/34/25/553753425.db2.gz MPFSWTRBQNPEGX-BDAKNGLRSA-N -1 1 354.291 2.340 20 0 FEADMM COc1ccc(-c2nc(C)c(C(=O)NC3(c4nn[n-]n4)CC3)s2)c(F)c1 ZINC000505989445 561686840 /nfs/dbraw/zinc/68/68/40/561686840.db2.gz JBCXOIRGVYAKON-UHFFFAOYSA-N -1 1 374.401 2.198 20 0 FEADMM Cn1[n-]c(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)nc1=O ZINC000329305753 553921955 /nfs/dbraw/zinc/92/19/55/553921955.db2.gz YJHJHJWWKNLRMC-LBPRGKRZSA-N -1 1 361.204 2.128 20 0 FEADMM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1cnn([C@H]2CCOC2)c1 ZINC000329612680 553976464 /nfs/dbraw/zinc/97/64/64/553976464.db2.gz CNNMHZIMLOIGJU-AAEUAGOBSA-N -1 1 367.393 2.244 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2cccc(Br)c2C)n1 ZINC000506910659 561711501 /nfs/dbraw/zinc/71/15/01/561711501.db2.gz OHYVKGOHSDXDDU-UHFFFAOYSA-N -1 1 373.228 2.241 20 0 FEADMM CN(C)c1ncc(CN(C)C(=O)c2ccc(Br)c([O-])c2)cn1 ZINC000507764835 561740236 /nfs/dbraw/zinc/74/02/36/561740236.db2.gz YUDCVYJOPNVOOV-UHFFFAOYSA-N -1 1 365.231 2.283 20 0 FEADMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000507893221 561744913 /nfs/dbraw/zinc/74/49/13/561744913.db2.gz XHFMXJYRBVXCAP-UHFFFAOYSA-N -1 1 364.423 2.387 20 0 FEADMM COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000507906508 561745374 /nfs/dbraw/zinc/74/53/74/561745374.db2.gz RFMVHPSIBPOJAC-CYBMUJFWSA-N -1 1 359.382 2.153 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000507917682 561745790 /nfs/dbraw/zinc/74/57/90/561745790.db2.gz LMXNMADNEAZNHD-UHFFFAOYSA-N -1 1 373.434 2.345 20 0 FEADMM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC000507917176 561745814 /nfs/dbraw/zinc/74/58/14/561745814.db2.gz IAAJOCPCUQZXCX-UHFFFAOYSA-N -1 1 350.396 2.133 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@]1(C)CCCc2ccccc21 ZINC000508083475 561750938 /nfs/dbraw/zinc/75/09/38/561750938.db2.gz KXRYNYDMFNATOP-KRWDZBQOSA-N -1 1 363.439 2.116 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C(F)(F)F ZINC000330649585 554151057 /nfs/dbraw/zinc/15/10/57/554151057.db2.gz HAIKSWPFJREMGR-NXEZZACHSA-N -1 1 360.332 2.379 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000508376648 561760344 /nfs/dbraw/zinc/76/03/44/561760344.db2.gz QINVHPLVAUQQPT-KRWDZBQOSA-N -1 1 357.385 2.314 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)C(=O)NCc1ccccc1)c2=O ZINC000508389385 561760947 /nfs/dbraw/zinc/76/09/47/561760947.db2.gz XOFNVELLLRUNLA-CYBMUJFWSA-N -1 1 364.405 2.079 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)C(=O)NCc3ccccc3)cnc2n1 ZINC000508389385 561760949 /nfs/dbraw/zinc/76/09/49/561760949.db2.gz XOFNVELLLRUNLA-CYBMUJFWSA-N -1 1 364.405 2.079 20 0 FEADMM CCS(=O)(=O)C1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000331307270 554244334 /nfs/dbraw/zinc/24/43/34/554244334.db2.gz WCRKMPIKEFNCPV-UHFFFAOYSA-N -1 1 361.847 2.094 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccccc3Cn3cncn3)cnc2n1 ZINC000509050790 561782846 /nfs/dbraw/zinc/78/28/46/561782846.db2.gz MGKJPPDWCGXXTQ-UHFFFAOYSA-N -1 1 374.404 2.214 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3ccccc3Cn3cncn3)c[n-]c2n1 ZINC000509050790 561782848 /nfs/dbraw/zinc/78/28/48/561782848.db2.gz MGKJPPDWCGXXTQ-UHFFFAOYSA-N -1 1 374.404 2.214 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000509439104 561799756 /nfs/dbraw/zinc/79/97/56/561799756.db2.gz VOLPYZKSJHGXFU-SECBINFHSA-N -1 1 368.238 2.237 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3CC(OCC)C3)c2)n1 ZINC000509483058 561801446 /nfs/dbraw/zinc/80/14/46/561801446.db2.gz GLHLXKFRMQSOAG-UHFFFAOYSA-N -1 1 372.425 2.080 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000332038886 554367921 /nfs/dbraw/zinc/36/79/21/554367921.db2.gz WPUCDJGXODZJBT-UHFFFAOYSA-N -1 1 362.238 2.619 20 0 FEADMM COc1cc(C)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509568471 561805390 /nfs/dbraw/zinc/80/53/90/561805390.db2.gz LNJYUXIINOKKPM-UHFFFAOYSA-N -1 1 369.370 2.407 20 0 FEADMM CC(=O)Nc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1Cl ZINC000509572212 561805792 /nfs/dbraw/zinc/80/57/92/561805792.db2.gz UIUJFKUGWXMDCO-UHFFFAOYSA-N -1 1 357.775 2.126 20 0 FEADMM COc1cc(C(=O)N2CCN(c3ccnc(C)n3)CC2)cc(Cl)c1[O-] ZINC000332408753 554441183 /nfs/dbraw/zinc/44/11/83/554441183.db2.gz ZBOUSMXHRWKCJF-UHFFFAOYSA-N -1 1 362.817 2.115 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCSc2ccc(F)cc21 ZINC000509949757 561819465 /nfs/dbraw/zinc/81/94/65/561819465.db2.gz SUWZXOVCGKZOHU-GFCCVEGCSA-N -1 1 361.398 2.009 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000509989429 561821040 /nfs/dbraw/zinc/82/10/40/561821040.db2.gz DJOOHXGTBRJWMH-JTQLQIEISA-N -1 1 367.327 2.413 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 ZINC000510002676 561821475 /nfs/dbraw/zinc/82/14/75/561821475.db2.gz NRMQBUJNDPCNMM-HNNXBMFYSA-N -1 1 370.409 2.025 20 0 FEADMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)C1(C)C ZINC000332511451 554459186 /nfs/dbraw/zinc/45/91/86/554459186.db2.gz ZPNXEDGTHLMBOC-DZGCQCFKSA-N -1 1 365.854 2.324 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@]1(C)CCOC1 ZINC000510064148 561823593 /nfs/dbraw/zinc/82/35/93/561823593.db2.gz INVQMQWUKGCYBZ-ZDUSSCGKSA-N -1 1 368.238 2.237 20 0 FEADMM COc1cc(CN(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc(OC)c1 ZINC000510345757 561832253 /nfs/dbraw/zinc/83/22/53/561832253.db2.gz HUGPHCXSVPUQGO-UHFFFAOYSA-N -1 1 353.378 2.213 20 0 FEADMM C[C@H](N=c1ccc(N2CC[C@@H](C)S(=O)(=O)CC2)n[n-]1)c1ccccc1 ZINC000333388277 554608597 /nfs/dbraw/zinc/60/85/97/554608597.db2.gz CMFAEHDMMYPZCX-CABCVRRESA-N -1 1 360.483 2.663 20 0 FEADMM O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ccc(=NCc2ccccc2F)[n-]n1 ZINC000333542455 554622525 /nfs/dbraw/zinc/62/25/25/554622525.db2.gz OBWGNBLBEMVWPH-RYQLBKOJSA-N -1 1 372.444 2.594 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3n[nH]cc3c2)o1 ZINC000511046004 561854724 /nfs/dbraw/zinc/85/47/24/561854724.db2.gz QDCLFIFUDDFZKI-SNVBAGLBSA-N -1 1 363.395 2.372 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCCn3ccccc3=O)no2)c1 ZINC000350577877 554799594 /nfs/dbraw/zinc/79/95/94/554799594.db2.gz VIAAKALCOZKQON-UHFFFAOYSA-N -1 1 354.366 2.195 20 0 FEADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)S(=O)(=O)C1CCOCC1 ZINC000350614494 554802624 /nfs/dbraw/zinc/80/26/24/554802624.db2.gz URXLUALEXQHNOU-VIFPVBQESA-N -1 1 356.375 2.236 20 0 FEADMM CNS(=O)(=O)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)o1 ZINC000350837125 554817175 /nfs/dbraw/zinc/81/71/75/554817175.db2.gz PHUOEBGUSRLCND-UHFFFAOYSA-N -1 1 353.331 2.058 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc([C@@H]2CCCOC2)no1 ZINC000350851150 554818195 /nfs/dbraw/zinc/81/81/95/554818195.db2.gz CPGOFYWQGHVMKM-CYBMUJFWSA-N -1 1 353.382 2.420 20 0 FEADMM COc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1[N-]S(C)(=O)=O ZINC000361155486 554906710 /nfs/dbraw/zinc/90/67/10/554906710.db2.gz WTCRKEMJLOPXAE-MRXNPFEDSA-N -1 1 362.407 2.009 20 0 FEADMM O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000361190592 554909146 /nfs/dbraw/zinc/90/91/46/554909146.db2.gz LAQSLJOQZHFORB-NSHDSACASA-N -1 1 357.805 2.059 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccc1-n1ccnc1 ZINC000362292536 554961500 /nfs/dbraw/zinc/96/15/00/554961500.db2.gz CIMSTHNSHDMVNP-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM COc1ccc(NC(=O)N2CCCOC(C)(C)C2)cc1[N-]S(C)(=O)=O ZINC000363045930 555017470 /nfs/dbraw/zinc/01/74/70/555017470.db2.gz QMMJJNIWNSNWKK-UHFFFAOYSA-N -1 1 371.459 2.100 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000511971946 561887374 /nfs/dbraw/zinc/88/73/74/561887374.db2.gz LBAVDHYVZWYISV-NSHDSACASA-N -1 1 370.409 2.491 20 0 FEADMM COc1ccccc1OC[C@@H](C)CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512015367 561889045 /nfs/dbraw/zinc/88/90/45/561889045.db2.gz CFXIMCMNCKEQNX-LBPRGKRZSA-N -1 1 370.409 2.127 20 0 FEADMM COCCOc1cc(C(=O)N=c2[nH][n-]c(C)c2Br)ccn1 ZINC000616009515 555263070 /nfs/dbraw/zinc/26/30/70/555263070.db2.gz WFTLNLJUVOMBKL-UHFFFAOYSA-N -1 1 355.192 2.153 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000616826382 555343367 /nfs/dbraw/zinc/34/33/67/555343367.db2.gz MMBBSWCYGPDWSM-CQSZACIVSA-N -1 1 364.427 2.275 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccsc3)C[C@H]2C)o1 ZINC000364636536 555359333 /nfs/dbraw/zinc/35/93/33/555359333.db2.gz LSDGVYUSRAAMIM-ZYHUDNBSSA-N -1 1 354.453 2.267 20 0 FEADMM O=C(c1ncccc1[O-])N1CCC(Cn2cc(Br)cn2)CC1 ZINC000364930381 555440767 /nfs/dbraw/zinc/44/07/67/555440767.db2.gz GUPXIPUDXIEXKQ-UHFFFAOYSA-N -1 1 365.231 2.299 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000364961366 555451467 /nfs/dbraw/zinc/45/14/67/555451467.db2.gz ZBSUALGGAMJEAI-SECBINFHSA-N -1 1 353.350 2.354 20 0 FEADMM COC(=O)c1cnc(S[C@@H]2CCCN(c3ccccc3OC)C2=O)[n-]1 ZINC000365505700 555593549 /nfs/dbraw/zinc/59/35/49/555593549.db2.gz QQIMEKXNRGAZLG-CQSZACIVSA-N -1 1 361.423 2.493 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H]2CCCN(c3ccccc3OC)C2=O)n1 ZINC000365505700 555593551 /nfs/dbraw/zinc/59/35/51/555593551.db2.gz QQIMEKXNRGAZLG-CQSZACIVSA-N -1 1 361.423 2.493 20 0 FEADMM COCCCOc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000513601546 561944227 /nfs/dbraw/zinc/94/42/27/561944227.db2.gz VQMZEZLWHWNWSH-UHFFFAOYSA-N -1 1 367.405 2.268 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)c1 ZINC000513792465 561950193 /nfs/dbraw/zinc/95/01/93/561950193.db2.gz HASMVFLTFXLQMI-CYBMUJFWSA-N -1 1 367.423 2.197 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CC2CCCC2)o1 ZINC000513945354 561956019 /nfs/dbraw/zinc/95/60/19/561956019.db2.gz XUYJFXQZZOOWLB-CYBMUJFWSA-N -1 1 372.487 2.027 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1-c1ccncc1 ZINC000366764481 555928124 /nfs/dbraw/zinc/92/81/24/555928124.db2.gz VRQJHAWWAQWLCH-UHFFFAOYSA-N -1 1 360.443 2.433 20 0 FEADMM Cc1ccncc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000514733671 561976860 /nfs/dbraw/zinc/97/68/60/561976860.db2.gz NIKXBJZPPJPZHM-UHFFFAOYSA-N -1 1 364.379 2.050 20 0 FEADMM ClC(Cl)(Cl)c1nc(=NC[C@H]2C[N@H+]3CCC[C@H]3CO2)s[n-]1 ZINC000367717590 556121870 /nfs/dbraw/zinc/12/18/70/556121870.db2.gz UNZMCDSNVVOZEQ-YUMQZZPRSA-N -1 1 357.694 2.062 20 0 FEADMM COCC[C@@H](Cc1ccco1)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000515015615 561992171 /nfs/dbraw/zinc/99/21/71/561992171.db2.gz YXKGETPHRZPVSB-NSHDSACASA-N -1 1 351.428 2.183 20 0 FEADMM C[C@H](CN1CCN(c2ccccc2)CC1)N=c1[n-]c(C2CCOCC2)no1 ZINC000515612026 562017035 /nfs/dbraw/zinc/01/70/35/562017035.db2.gz XGICDCDLTVWMPS-MRXNPFEDSA-N -1 1 371.485 2.008 20 0 FEADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1[O-] ZINC000369376534 556584510 /nfs/dbraw/zinc/58/45/10/556584510.db2.gz WQSFOFYUTXHQGR-XHDPSFHLSA-N -1 1 356.216 2.223 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCO[C@@H]3CCC[C@@H]32)c(=O)[n-]1 ZINC000369458702 556604822 /nfs/dbraw/zinc/60/48/22/556604822.db2.gz QYOZXMOPXYGCOB-UONOGXRCSA-N -1 1 351.472 2.315 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@@H](c2ccco2)N2CCCC2)s[n-]1 ZINC000516215977 562036335 /nfs/dbraw/zinc/03/63/35/562036335.db2.gz LIRVAAIUHJPOIU-NEPJUHHUSA-N -1 1 365.459 2.219 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1 ZINC000516230214 562036806 /nfs/dbraw/zinc/03/68/06/562036806.db2.gz ITKHBYSHPOWCQU-UHFFFAOYSA-N -1 1 363.370 2.218 20 0 FEADMM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000516289574 562038875 /nfs/dbraw/zinc/03/88/75/562038875.db2.gz CRZVEJWCQSXNPW-UHFFFAOYSA-N -1 1 372.450 2.284 20 0 FEADMM CN1CC[C@H](CNC(=O)CSCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000516290274 562038910 /nfs/dbraw/zinc/03/89/10/562038910.db2.gz MKTYIVPUAOCRGW-BDJLRTHQSA-N -1 1 374.865 2.406 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)o1 ZINC000369708314 556674587 /nfs/dbraw/zinc/67/45/87/556674587.db2.gz BDZGLEZETNACFQ-NSHDSACASA-N -1 1 370.452 2.019 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369718070 556676701 /nfs/dbraw/zinc/67/67/01/556676701.db2.gz KSRHFEHQPWRQRL-VIFPVBQESA-N -1 1 367.818 2.163 20 0 FEADMM CCc1ncc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)o1 ZINC000516714754 562055324 /nfs/dbraw/zinc/05/53/24/562055324.db2.gz QKUVBEVVXQYFLI-UHFFFAOYSA-N -1 1 366.262 2.243 20 0 FEADMM O=C(N=c1nc(-c2cccc(OC(F)F)c2)[nH][n-]1)c1ncncc1Cl ZINC000370353116 556848549 /nfs/dbraw/zinc/84/85/49/556848549.db2.gz JFKQCYHQPORPRB-UHFFFAOYSA-N -1 1 366.715 2.769 20 0 FEADMM CC(C)(O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370639662 556927605 /nfs/dbraw/zinc/92/76/05/556927605.db2.gz JKJFABIHJCESNR-QGZVFWFLSA-N -1 1 370.449 2.427 20 0 FEADMM COC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000370735550 556953489 /nfs/dbraw/zinc/95/34/89/556953489.db2.gz VOTMTXMRWJOXJZ-UHFFFAOYSA-N -1 1 368.389 2.309 20 0 FEADMM CSc1ccc(N2C[C@@H](C(=O)[N-]OCc3cccnc3)CC2=O)cc1 ZINC000370841936 556986975 /nfs/dbraw/zinc/98/69/75/556986975.db2.gz BMLXRCXAQDPEFD-AWEZNQCLSA-N -1 1 357.435 2.404 20 0 FEADMM CN1C(=O)CSC12CCN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000371727199 557276299 /nfs/dbraw/zinc/27/62/99/557276299.db2.gz JWOQVXCRCLDIJP-UHFFFAOYSA-N -1 1 357.435 2.078 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2cncc([O-])c2)C[C@@H]1c1ccc(F)cc1F ZINC000371880821 557318520 /nfs/dbraw/zinc/31/85/20/557318520.db2.gz APDVZOMJUVWHBB-CABCVRRESA-N -1 1 362.332 2.094 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000518406619 562110799 /nfs/dbraw/zinc/11/07/99/562110799.db2.gz PKNWPTXUYPGETI-HSZRJFAPSA-N -1 1 366.464 2.438 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc([S@](C)=O)c2)c1 ZINC000518406696 562110802 /nfs/dbraw/zinc/11/08/02/562110802.db2.gz VJDIZXOFENEDLP-QHCPKHFHSA-N -1 1 366.464 2.356 20 0 FEADMM C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000518189203 562106031 /nfs/dbraw/zinc/10/60/31/562106031.db2.gz BVSQWOPSUCCIRM-SECBINFHSA-N -1 1 371.426 2.223 20 0 FEADMM COc1cc2ncc(C(=O)N=c3cc(C4CC4)n(C)[nH]3)c([O-])c2c(OC)c1 ZINC000627360248 557369891 /nfs/dbraw/zinc/36/98/91/557369891.db2.gz JANRMGVXBCIVCN-UHFFFAOYSA-N -1 1 368.393 2.409 20 0 FEADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000518534740 562113859 /nfs/dbraw/zinc/11/38/59/562113859.db2.gz QUPLPEWOGKEKGJ-UHFFFAOYSA-N -1 1 350.783 2.333 20 0 FEADMM O=C(c1cnccc1Oc1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000519001938 562123063 /nfs/dbraw/zinc/12/30/63/562123063.db2.gz MPEJCUHVNPXBGE-CYBMUJFWSA-N -1 1 350.382 2.407 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCO[C@@H](C2CC2)C1 ZINC000372371250 557453347 /nfs/dbraw/zinc/45/33/47/557453347.db2.gz WHGHFAUQUASKCF-CYBMUJFWSA-N -1 1 373.190 2.248 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000372737098 557550748 /nfs/dbraw/zinc/55/07/48/557550748.db2.gz HXLFBFCABGKHOC-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM COC(=O)c1c(F)ccc(NS(=O)(=O)c2cc(OC)ccc2[O-])c1F ZINC000519677670 562139530 /nfs/dbraw/zinc/13/95/30/562139530.db2.gz UIVIRQJDDLVGJD-UHFFFAOYSA-N -1 1 373.333 2.266 20 0 FEADMM COc1cc(NC(=O)[C@@H](C)OCCC(C)C)ccc1[N-]S(C)(=O)=O ZINC000519976149 562148368 /nfs/dbraw/zinc/14/83/68/562148368.db2.gz MBCYOYPYYGJEOY-GFCCVEGCSA-N -1 1 358.460 2.456 20 0 FEADMM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1 ZINC000520294236 562152819 /nfs/dbraw/zinc/15/28/19/562152819.db2.gz YUDMNULLGNIWDU-BCQZVRRWSA-N -1 1 357.801 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)o1 ZINC000374306396 557862611 /nfs/dbraw/zinc/86/26/11/557862611.db2.gz PLXPFOORGFWBKT-QGZVFWFLSA-N -1 1 366.414 2.207 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3ccc(F)cc3C(=O)O2)c1 ZINC000374476033 557889085 /nfs/dbraw/zinc/88/90/85/557889085.db2.gz PAFDIYGPXFOJID-HNNXBMFYSA-N -1 1 359.309 2.038 20 0 FEADMM Cc1nc([C@@H]2CCCCN2C(=O)N=c2ncn(C3CCCCC3)[n-]2)n[nH]1 ZINC000374654429 557912284 /nfs/dbraw/zinc/91/22/84/557912284.db2.gz SNTHEVUPKCLXRD-AWEZNQCLSA-N -1 1 358.450 2.969 20 0 FEADMM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OC ZINC000521230915 562172471 /nfs/dbraw/zinc/17/24/71/562172471.db2.gz WVMLVBDPQBHVPI-SCZZXKLOSA-N -1 1 353.362 2.360 20 0 FEADMM CC(C)Oc1ccc(=NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)[n-]n1 ZINC000375499988 558038394 /nfs/dbraw/zinc/03/83/94/558038394.db2.gz ZHFFSTCFJHVEPG-ZDUSSCGKSA-N -1 1 371.445 2.671 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000521443984 562176622 /nfs/dbraw/zinc/17/66/22/562176622.db2.gz KHXHVZGAHQJNID-WDEREUQCSA-N -1 1 360.501 2.153 20 0 FEADMM CO[C@@H](C)c1nsc(=N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)[n-]1 ZINC000375695246 558068794 /nfs/dbraw/zinc/06/87/94/558068794.db2.gz AUAYRCYFHDWVHQ-CMPLNLGQSA-N -1 1 364.475 2.004 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CSC[C@@H]1C ZINC000376404103 558168983 /nfs/dbraw/zinc/16/89/83/558168983.db2.gz UQYQRNOQJSHRMG-XHDPSFHLSA-N -1 1 358.467 2.353 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)ccnc1-2 ZINC000376596529 558195577 /nfs/dbraw/zinc/19/55/77/558195577.db2.gz DDLQCLIFYPKXEP-BHQWEUPHSA-N -1 1 364.453 2.380 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC(F)(c4cccnc4)CC3)ccnc1-2 ZINC000376612506 558197816 /nfs/dbraw/zinc/19/78/16/558197816.db2.gz VBRXEONJNUCEMA-HAHDFKILSA-N -1 1 354.389 2.230 20 0 FEADMM C[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1nccn1-c1ccccc1 ZINC000376625219 558199388 /nfs/dbraw/zinc/19/93/88/558199388.db2.gz ADVJSIQGFPDNJL-UHOOPTBMSA-N -1 1 361.409 2.410 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)ccnc1-2 ZINC000376631170 558200313 /nfs/dbraw/zinc/20/03/13/558200313.db2.gz UMDWWKZYUQHVFR-ITGFUDAMSA-N -1 1 351.410 2.241 20 0 FEADMM Cc1nc2c(s1)CCC[C@@H]2CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000376639364 558201576 /nfs/dbraw/zinc/20/15/76/558201576.db2.gz DUWAGOWFMMGKRS-XFDFPNRRSA-N -1 1 356.455 2.348 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)ccnc1-2 ZINC000376640235 558201606 /nfs/dbraw/zinc/20/16/06/558201606.db2.gz NEBNMIKPQBAHTH-QQHUYRGFSA-N -1 1 365.393 2.440 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1C ZINC000376751481 558216878 /nfs/dbraw/zinc/21/68/78/558216878.db2.gz OZVPLELVEFPXOX-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000377124923 558271469 /nfs/dbraw/zinc/27/14/69/558271469.db2.gz ZSYLXDHNEQHCDW-CHWSQXEVSA-N -1 1 370.380 2.180 20 0 FEADMM Cc1ccc([C@@H](C)NC(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1C ZINC000377527666 558357884 /nfs/dbraw/zinc/35/78/84/558357884.db2.gz JZLFECKYCSDTOU-CQSZACIVSA-N -1 1 357.458 2.184 20 0 FEADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(c2cccc(F)c2)CCCCC1 ZINC000377600138 558374520 /nfs/dbraw/zinc/37/45/20/558374520.db2.gz IPSYASKQIZBWFP-HNNXBMFYSA-N -1 1 359.405 2.141 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000377622369 558379124 /nfs/dbraw/zinc/37/91/24/558379124.db2.gz IVJQSUBXSFAZDY-MFKMUULPSA-N -1 1 350.365 2.286 20 0 FEADMM O=C(NC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1)c1cccnc1 ZINC000377657095 558388060 /nfs/dbraw/zinc/38/80/60/558388060.db2.gz YWLMGPOXHOYTDP-UHFFFAOYSA-N -1 1 361.348 2.100 20 0 FEADMM O=C(CNC(=O)c1c(F)ccc([O-])c1F)N[C@@H]1CCOc2ccccc21 ZINC000377859226 558436303 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20 0 FEADMM CC[C@@H](C)n1nc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])cc1C ZINC000436615529 559946546 /nfs/dbraw/zinc/94/65/46/559946546.db2.gz FJWRWDFUNCYBES-SNVBAGLBSA-N -1 1 366.443 2.029 20 0 FEADMM O=C(NCc1ccncc1OCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000436636102 559947417 /nfs/dbraw/zinc/94/74/17/559947417.db2.gz SXQVXJLLZKJNBY-UHFFFAOYSA-N -1 1 354.284 2.227 20 0 FEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436705560 559949438 /nfs/dbraw/zinc/94/94/38/559949438.db2.gz PLLJSLPWBZDVIO-CYBMUJFWSA-N -1 1 350.378 2.375 20 0 FEADMM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436716471 559949836 /nfs/dbraw/zinc/94/98/36/559949836.db2.gz BGZUIQOEFNOJFS-CQSZACIVSA-N -1 1 374.872 2.381 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1 ZINC000436756667 559951079 /nfs/dbraw/zinc/95/10/79/559951079.db2.gz SFYUIMXOAUJSJK-UHFFFAOYSA-N -1 1 362.407 2.193 20 0 FEADMM CNC(=O)c1cccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436913272 559956164 /nfs/dbraw/zinc/95/61/64/559956164.db2.gz ISOZWZWTCLFDGV-UHFFFAOYSA-N -1 1 371.784 2.443 20 0 FEADMM CNC(=O)c1cccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC000436913272 559956165 /nfs/dbraw/zinc/95/61/65/559956165.db2.gz ISOZWZWTCLFDGV-UHFFFAOYSA-N -1 1 371.784 2.443 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(OC)cc1OC ZINC000436922142 559956430 /nfs/dbraw/zinc/95/64/30/559956430.db2.gz WRDSSNSWZHAGKR-INIZCTEOSA-N -1 1 363.341 2.193 20 0 FEADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1noc(Cc2ccccc2)n1 ZINC000436944592 559957145 /nfs/dbraw/zinc/95/71/45/559957145.db2.gz QTKVVMVNKGAWHT-LBPRGKRZSA-N -1 1 351.362 2.426 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCCn2nccc21 ZINC000436970413 559957971 /nfs/dbraw/zinc/95/79/71/559957971.db2.gz DOCVZJYFESSZFV-UHFFFAOYSA-N -1 1 369.162 2.244 20 0 FEADMM CCO[C@H]1C[C@@](O)(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)C1(C)C ZINC000436982092 559958211 /nfs/dbraw/zinc/95/82/11/559958211.db2.gz FRPHBJHUVFDMEF-SUMWQHHRSA-N -1 1 357.834 2.350 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000438488901 559979644 /nfs/dbraw/zinc/97/96/44/559979644.db2.gz MPHHTJLEKQAQFT-IBGZPJMESA-N -1 1 360.458 2.042 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1O ZINC000438771231 559983367 /nfs/dbraw/zinc/98/33/67/559983367.db2.gz HMVRIKVKBSQAHO-UHFFFAOYSA-N -1 1 355.437 2.213 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1C(N)=O ZINC000438812978 559984164 /nfs/dbraw/zinc/98/41/64/559984164.db2.gz JJUJBCAJAGUXJQ-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(I)c([O-])c1 ZINC000440040590 560003523 /nfs/dbraw/zinc/00/35/23/560003523.db2.gz XIZYYYMNZUSUFY-XWIASGKRSA-N -1 1 373.190 2.294 20 0 FEADMM C/C=C\C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)C(=O)OCC ZINC000440094443 560004666 /nfs/dbraw/zinc/00/46/66/560004666.db2.gz VNDYQTVIXBNPFI-HSBHDXMMSA-N -1 1 352.412 2.145 20 0 FEADMM Cc1cc(C)n(-c2ccc(CN3CCN(c4nc(=N)[n-]s4)CC3)cc2)n1 ZINC000440573246 560014476 /nfs/dbraw/zinc/01/44/76/560014476.db2.gz FTEOGLQAUQRPTQ-UHFFFAOYSA-N -1 1 369.498 2.245 20 0 FEADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000441539721 560035412 /nfs/dbraw/zinc/03/54/12/560035412.db2.gz ZXHHFLBJQDXGDK-UHFFFAOYSA-N -1 1 366.251 2.027 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)s1 ZINC000442758918 560056375 /nfs/dbraw/zinc/05/63/75/560056375.db2.gz PZJCPBBEPHTLAE-LURJTMIESA-N -1 1 352.363 2.300 20 0 FEADMM COCc1nc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(-c2ccccc2)s1 ZINC000442888733 560060992 /nfs/dbraw/zinc/06/09/92/560060992.db2.gz CNFCQXNJKWCBOM-NSHDSACASA-N -1 1 372.454 2.345 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1OC)c1ccsc1 ZINC000443049001 560067653 /nfs/dbraw/zinc/06/76/53/560067653.db2.gz NZJGHMHPOOWYOO-CQSZACIVSA-N -1 1 355.437 2.258 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc(Cl)c1[O-] ZINC000443057904 560068510 /nfs/dbraw/zinc/06/85/10/560068510.db2.gz LMJJVRLJYABRHA-WCQYABFASA-N -1 1 352.818 2.185 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc(Cl)c1[O-] ZINC000443057902 560068513 /nfs/dbraw/zinc/06/85/13/560068513.db2.gz LMJJVRLJYABRHA-AAEUAGOBSA-N -1 1 352.818 2.185 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-] ZINC000443132803 560072019 /nfs/dbraw/zinc/07/20/19/560072019.db2.gz MOAIMYRYAUVVGO-CYBMUJFWSA-N -1 1 364.760 2.339 20 0 FEADMM COc1cc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)cc(Cl)c1[O-] ZINC000443301463 560078567 /nfs/dbraw/zinc/07/85/67/560078567.db2.gz CGATTXHLAVNKRC-CYBMUJFWSA-N -1 1 366.826 2.429 20 0 FEADMM C[C@H](CCNC(=O)N1CCN(c2nc(=N)[n-]s2)CC1)CC(C)(C)C ZINC000443547363 560087021 /nfs/dbraw/zinc/08/70/21/560087021.db2.gz AOTCDWYDDRZNQY-GFCCVEGCSA-N -1 1 354.524 2.414 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1nn[n-]n1 ZINC000444231567 560106304 /nfs/dbraw/zinc/10/63/04/560106304.db2.gz GRQQGGWKRPHBJE-MRXNPFEDSA-N -1 1 365.393 2.408 20 0 FEADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(=O)[nH]n1 ZINC000444374549 560112327 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/nfs/dbraw/zinc/34/03/24/560340324.db2.gz IGQCEUJSHOCEMR-ZETCQYMHSA-N -1 1 358.769 2.162 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCC[C@H]1F ZINC000452166661 560354313 /nfs/dbraw/zinc/35/43/13/560354313.db2.gz JHTVXMVODGDLPZ-MNOVXSKESA-N -1 1 369.245 2.279 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452671967 560370741 /nfs/dbraw/zinc/37/07/41/560370741.db2.gz ZWVJXOYLDOZVHL-GVDBMIGSSA-N -1 1 372.469 2.136 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000453034008 560381857 /nfs/dbraw/zinc/38/18/57/560381857.db2.gz UNPGIFXTQUWSOQ-SUHUHFCYSA-N -1 1 370.243 2.157 20 0 FEADMM CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000456896930 560536283 /nfs/dbraw/zinc/53/62/83/560536283.db2.gz GOKBWSRLDPJHFA-NSHDSACASA-N -1 1 370.247 2.031 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)C[C@@H]1c1ccccc1 ZINC000456968264 560541169 /nfs/dbraw/zinc/54/11/69/560541169.db2.gz XCCAKTQGDQOANA-CABCVRRESA-N -1 1 371.462 2.746 20 0 FEADMM C[C@@](Cc1ccccc1)(NC(=O)CNC(=O)c1ncccc1[O-])C1CC1 ZINC000457052804 560545820 /nfs/dbraw/zinc/54/58/20/560545820.db2.gz UDDOYXBQASGPAD-FQEVSTJZSA-N -1 1 353.422 2.045 20 0 FEADMM CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc(OC)cc2[O-])s1 ZINC000457117219 560550393 /nfs/dbraw/zinc/55/03/93/560550393.db2.gz VCBHSSLSOKKMQG-UHFFFAOYSA-N -1 1 350.396 2.240 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCN1C(=O)c1cscn1 ZINC000457119364 560550686 /nfs/dbraw/zinc/55/06/86/560550686.db2.gz RNJXKEITPLKYRP-JTQLQIEISA-N -1 1 365.842 2.489 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCOC(C)(C)C2)o1 ZINC000457150853 560553388 /nfs/dbraw/zinc/55/33/88/560553388.db2.gz DXUAUYGMEZUWGC-LBPRGKRZSA-N -1 1 372.487 2.291 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000457173361 560554419 /nfs/dbraw/zinc/55/44/19/560554419.db2.gz BUSQKSLRAUZVJI-CQSZACIVSA-N -1 1 360.458 2.306 20 0 FEADMM CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459421100 560685396 /nfs/dbraw/zinc/68/53/96/560685396.db2.gz YVCRNXSAGWKKLB-UHFFFAOYSA-N -1 1 356.426 2.410 20 0 FEADMM CCOc1cc(C[N@H+](CC)[C@H]2CCNC2=O)cc(Br)c1O ZINC000459523095 560691745 /nfs/dbraw/zinc/69/17/45/560691745.db2.gz GTPQSGQBYWCDQI-LBPRGKRZSA-N -1 1 357.248 2.264 20 0 FEADMM Cc1cnc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000460186696 560737343 /nfs/dbraw/zinc/73/73/43/560737343.db2.gz YMEPFXDCULMWDH-AWEZNQCLSA-N -1 1 358.373 2.271 20 0 FEADMM CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000460441926 560743631 /nfs/dbraw/zinc/74/36/31/560743631.db2.gz BXNKCGFQVUNKHV-NSHDSACASA-N -1 1 360.439 2.484 20 0 FEADMM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(=O)n(C)c2)s1 ZINC000460826187 560752874 /nfs/dbraw/zinc/75/28/74/560752874.db2.gz DXUZLWUGVLQARF-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(F)ccc(C)c2F)c1 ZINC000461457280 560772181 /nfs/dbraw/zinc/77/21/81/560772181.db2.gz PESZKNQWCOSBJV-UHFFFAOYSA-N -1 1 356.350 2.139 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)nc3ccccc32)c1 ZINC000461459392 560772409 /nfs/dbraw/zinc/77/24/09/560772409.db2.gz AEODILWRMKXCTN-UHFFFAOYSA-N -1 1 371.418 2.409 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](SC)c2ccccc2)c1 ZINC000461459633 560772529 /nfs/dbraw/zinc/77/25/29/560772529.db2.gz CXBXEHBJSSUMDE-OAHLLOKOSA-N -1 1 366.464 2.343 20 0 FEADMM Cc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1NC(=O)c1ccco1 ZINC000461637268 560778239 /nfs/dbraw/zinc/77/82/39/560778239.db2.gz NKECKIDAIOCJMK-UHFFFAOYSA-N -1 1 354.370 2.019 20 0 FEADMM CC(C)(NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nn[n-]n1 ZINC000461638335 560778275 /nfs/dbraw/zinc/77/82/75/560778275.db2.gz YUFXRVONCUMIRA-UHFFFAOYSA-N -1 1 366.212 2.357 20 0 FEADMM Cc1cc(C)cc(-n2ccnc2SCC(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000461637758 560778291 /nfs/dbraw/zinc/77/82/91/560778291.db2.gz YGRYYMFPFVDBFH-UHFFFAOYSA-N -1 1 371.470 2.146 20 0 FEADMM CC(C)(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nn[n-]n1 ZINC000461637773 560778304 /nfs/dbraw/zinc/77/83/04/560778304.db2.gz YPIUMSLBSRWMJG-UHFFFAOYSA-N -1 1 350.382 2.117 20 0 FEADMM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)s1 ZINC000462072107 560795002 /nfs/dbraw/zinc/79/50/02/560795002.db2.gz QJWGJNGLKDUHDV-YFKPBYRVSA-N -1 1 357.297 2.359 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc3c2OCCC3)cc1 ZINC000464547388 560845036 /nfs/dbraw/zinc/84/50/36/560845036.db2.gz IXBLVWAYIPKWKL-UHFFFAOYSA-N -1 1 363.391 2.276 20 0 FEADMM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000466723469 560893685 /nfs/dbraw/zinc/89/36/85/560893685.db2.gz UTDNGYKYSLHJNB-LBPRGKRZSA-N -1 1 374.256 2.232 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000468699151 560936515 /nfs/dbraw/zinc/93/65/15/560936515.db2.gz SIGNTGULPQGJBF-UHFFFAOYSA-N -1 1 373.434 2.437 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(F)c(Cl)cc2F)co1 ZINC000468881241 560941282 /nfs/dbraw/zinc/94/12/82/560941282.db2.gz FWGHWJAOGIOONL-UHFFFAOYSA-N -1 1 364.757 2.049 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1C(N)=O ZINC000470451417 560982373 /nfs/dbraw/zinc/98/23/73/560982373.db2.gz KGLRTAVAXOBBDH-UHFFFAOYSA-N -1 1 352.387 2.243 20 0 FEADMM O=C(CCSc1ccccc1Br)NC1(c2nn[n-]n2)CC1 ZINC000470980683 560995801 /nfs/dbraw/zinc/99/58/01/560995801.db2.gz BBLQTNVYMMAJEP-UHFFFAOYSA-N -1 1 368.260 2.250 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000471130947 560998795 /nfs/dbraw/zinc/99/87/95/560998795.db2.gz MFEZAWSBPCYTGP-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)ccc1F ZINC000471622625 561008972 /nfs/dbraw/zinc/00/89/72/561008972.db2.gz WVXQJZKKHJMKES-UHFFFAOYSA-N -1 1 362.386 2.275 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(CC)c1)c1cccc(C)c1C ZINC000472759344 561034711 /nfs/dbraw/zinc/03/47/11/561034711.db2.gz KKBIKLCKHLHESN-INIZCTEOSA-N -1 1 365.455 2.103 20 0 FEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)s1 ZINC000473205202 561044339 /nfs/dbraw/zinc/04/43/39/561044339.db2.gz AHCNHRHJEMMFBO-MRVPVSSYSA-N -1 1 352.416 2.057 20 0 FEADMM NC(=O)c1ccccc1CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000473681246 561055649 /nfs/dbraw/zinc/05/56/49/561055649.db2.gz XEVCGAAYIDBLPV-UHFFFAOYSA-N -1 1 350.378 2.453 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ncnn3-c3ccccc3)cnc2n1 ZINC000473805928 561058081 /nfs/dbraw/zinc/05/80/81/561058081.db2.gz NANZACIUXQBADR-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ncnn1-c1ccccc1)c2=O ZINC000473805928 561058082 /nfs/dbraw/zinc/05/80/82/561058082.db2.gz NANZACIUXQBADR-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C1CCCC1 ZINC000474191699 561067932 /nfs/dbraw/zinc/06/79/32/561067932.db2.gz AEDKYWZSURDVKP-ZDUSSCGKSA-N -1 1 359.444 2.330 20 0 FEADMM C/C=C/C[C@@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000474622050 561078771 /nfs/dbraw/zinc/07/87/71/561078771.db2.gz YHWFQRHUWZNQRD-PBKGFPTLSA-N -1 1 361.179 2.054 20 0 FEADMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccco1 ZINC000475585762 561100442 /nfs/dbraw/zinc/10/04/42/561100442.db2.gz BIXMOKFKXYBIBN-CYBMUJFWSA-N -1 1 353.444 2.115 20 0 FEADMM Cc1cccc(OCCCNC(=O)CS(=O)(=O)c2ccc([O-])cc2)c1 ZINC000476060354 561110486 /nfs/dbraw/zinc/11/04/86/561110486.db2.gz KFYFVJQMWFJAHX-UHFFFAOYSA-N -1 1 363.435 2.060 20 0 FEADMM Cc1cc(C(=O)Nc2n[nH]c3cc(F)ccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000476794713 561128605 /nfs/dbraw/zinc/12/86/05/561128605.db2.gz ORWMCVSXBYMZLM-UHFFFAOYSA-N -1 1 354.301 2.012 20 0 FEADMM Cc1cc(C(=O)Nc2n[nH]c3cc(F)ccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000476794713 561128606 /nfs/dbraw/zinc/12/86/06/561128606.db2.gz ORWMCVSXBYMZLM-UHFFFAOYSA-N -1 1 354.301 2.012 20 0 FEADMM CCn1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000528446726 562329759 /nfs/dbraw/zinc/32/97/59/562329759.db2.gz QKQRXCKJXIVYLO-UHFFFAOYSA-N -1 1 353.206 2.222 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)n1[C@H]1CCOC1 ZINC000529249713 562366346 /nfs/dbraw/zinc/36/63/46/562366346.db2.gz DZSSIEHKHRGDMG-KBPBESRZSA-N -1 1 360.414 2.175 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@]1(C)OC(C)C ZINC000529967036 562393195 /nfs/dbraw/zinc/39/31/95/562393195.db2.gz FCLBXXKNWVGKKH-BEFAXECRSA-N -1 1 356.426 2.167 20 0 FEADMM Cc1oc(C(=O)Nc2cccc(F)c2[O-])cc1S(=O)(=O)N1CCCC1 ZINC000530006077 562394182 /nfs/dbraw/zinc/39/41/82/562394182.db2.gz NOWOMZJZIYFZCU-UHFFFAOYSA-N -1 1 368.386 2.470 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(CN(C)C)ccn1)c1ccc(F)cc1 ZINC000530154179 562400380 /nfs/dbraw/zinc/40/03/80/562400380.db2.gz PWEDQSFSLCOIHF-MRXNPFEDSA-N -1 1 367.446 2.412 20 0 FEADMM CCS(=O)(=O)[N-]c1cc(-c2cncc(C(=O)N(C)C)c2)ccc1OC ZINC000530250938 562404156 /nfs/dbraw/zinc/40/41/56/562404156.db2.gz SEGWLPIAQOXVQH-UHFFFAOYSA-N -1 1 363.439 2.221 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2OC(C)(C)C3)co1 ZINC000530564447 562415939 /nfs/dbraw/zinc/41/59/39/562415939.db2.gz WVQHSIZHSUBNFN-UHFFFAOYSA-N -1 1 350.396 2.154 20 0 FEADMM CCOC(=O)C1([N-]S(=O)(=O)CCC(C)(C)C)Cc2ccccc2C1 ZINC000530717898 562421776 /nfs/dbraw/zinc/42/17/76/562421776.db2.gz PAIVSMKHTGSMPM-UHFFFAOYSA-N -1 1 353.484 2.443 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000531523393 562448502 /nfs/dbraw/zinc/44/85/02/562448502.db2.gz VCQJDSUKOHOJPJ-UHFFFAOYSA-N -1 1 359.455 2.138 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000532264240 562472028 /nfs/dbraw/zinc/47/20/28/562472028.db2.gz PCZKSWUBNCEMDX-UHFFFAOYSA-N -1 1 362.407 2.328 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1C ZINC000532393951 562476459 /nfs/dbraw/zinc/47/64/59/562476459.db2.gz DBMZKNVEZBUZBH-UHFFFAOYSA-N -1 1 351.428 2.422 20 0 FEADMM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)cc1[O-])C2=O ZINC000532620921 562483435 /nfs/dbraw/zinc/48/34/35/562483435.db2.gz GTXRFCDTYYRJON-UHFFFAOYSA-N -1 1 363.389 2.361 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)sc1C ZINC000533253327 562502913 /nfs/dbraw/zinc/50/29/13/562502913.db2.gz CUBCIUSCAIFAPN-GFCCVEGCSA-N -1 1 362.542 2.483 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c(C)o1 ZINC000533624321 562514559 /nfs/dbraw/zinc/51/45/59/562514559.db2.gz YBPHEMCXMQDBBV-UHFFFAOYSA-N -1 1 361.322 2.462 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(C)o1 ZINC000533624017 562514619 /nfs/dbraw/zinc/51/46/19/562514619.db2.gz PHFNZSVOPXUZCD-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM Cc1cc(C(=O)NC(C)(C)c2nn[n-]n2)ccc1NC(=O)c1cccs1 ZINC000533938636 562521854 /nfs/dbraw/zinc/52/18/54/562521854.db2.gz UFYLJSCABROMDC-UHFFFAOYSA-N -1 1 370.438 2.487 20 0 FEADMM CCC(C)(C)c1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000534046133 562524179 /nfs/dbraw/zinc/52/41/79/562524179.db2.gz CVSCVPJQKRFILA-UHFFFAOYSA-N -1 1 356.488 2.011 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 ZINC000534942482 562545811 /nfs/dbraw/zinc/54/58/11/562545811.db2.gz NPQYMFLRMGNXBV-UHFFFAOYSA-N -1 1 374.418 2.339 20 0 FEADMM Cc1cccn2c(=O)c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cnc12 ZINC000536945711 562583021 /nfs/dbraw/zinc/58/30/21/562583021.db2.gz ROUDAKSHAFMBSX-UHFFFAOYSA-N -1 1 361.361 2.351 20 0 FEADMM O=C(Nc1sccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccco1 ZINC000537123092 562585946 /nfs/dbraw/zinc/58/59/46/562585946.db2.gz CDBYOXBKPPMTQK-JTQLQIEISA-N -1 1 372.410 2.126 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000541078237 562602289 /nfs/dbraw/zinc/60/22/89/562602289.db2.gz LGKRDWCPCSUYIP-UHFFFAOYSA-N -1 1 351.355 2.348 20 0 FEADMM O=C(Nc1nc2ccccc2n1C1CCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000541841519 562621332 /nfs/dbraw/zinc/62/13/32/562621332.db2.gz XEADOBJQIMUVPF-UHFFFAOYSA-N -1 1 363.381 2.135 20 0 FEADMM CC(C)[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1F ZINC000546156737 562634377 /nfs/dbraw/zinc/63/43/77/562634377.db2.gz BHENASJSFYWDAZ-CQSZACIVSA-N -1 1 363.780 2.337 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c1 ZINC000549987997 562641693 /nfs/dbraw/zinc/64/16/93/562641693.db2.gz XYWUQQLNRZGVEA-CMPLNLGQSA-N -1 1 363.382 2.180 20 0 FEADMM Cc1ccc(NC(=O)CCCc2nn[n-]n2)cc1I ZINC000602032191 567906083 /nfs/dbraw/zinc/90/60/83/567906083.db2.gz AJIDIXNJBUZQFC-UHFFFAOYSA-N -1 1 371.182 2.074 20 0 FEADMM CCCN(CC(F)(F)F)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000602120324 567937723 /nfs/dbraw/zinc/93/77/23/567937723.db2.gz KEVJETYSPSZLEF-UHFFFAOYSA-N -1 1 369.347 2.291 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(F)c(SC)c2)n[n-]1 ZINC000603154908 568068515 /nfs/dbraw/zinc/06/85/15/568068515.db2.gz MNNRRJWEZUYFAW-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(F)c(SC)c2)[n-]1 ZINC000603154908 568068516 /nfs/dbraw/zinc/06/85/16/568068516.db2.gz MNNRRJWEZUYFAW-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(F)c(SC)c2)n1 ZINC000603154908 568068517 /nfs/dbraw/zinc/06/85/17/568068517.db2.gz MNNRRJWEZUYFAW-MRVPVSSYSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2SCCc3ccccc32)n[n-]1 ZINC000603158414 568069019 /nfs/dbraw/zinc/06/90/19/568069019.db2.gz YFUVEYVINJHCTC-GXFFZTMASA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2SCCc3ccccc32)[n-]1 ZINC000603158414 568069020 /nfs/dbraw/zinc/06/90/20/568069020.db2.gz YFUVEYVINJHCTC-GXFFZTMASA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2SCCc3ccccc32)n1 ZINC000603158414 568069021 /nfs/dbraw/zinc/06/90/21/568069021.db2.gz YFUVEYVINJHCTC-GXFFZTMASA-N -1 1 360.439 2.189 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC000603300452 568086538 /nfs/dbraw/zinc/08/65/38/568086538.db2.gz PYWZADUDJKWNLQ-JSGCOSHPSA-N -1 1 361.410 2.223 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1 ZINC000603388707 568094796 /nfs/dbraw/zinc/09/47/96/568094796.db2.gz RTZHEKIRCMNHNI-JJXSEGSLSA-N -1 1 367.467 2.309 20 0 FEADMM COC(=O)c1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)C(F)F ZINC000603425215 568096477 /nfs/dbraw/zinc/09/64/77/568096477.db2.gz RXNRGRFJODYEFV-LURJTMIESA-N -1 1 372.187 2.168 20 0 FEADMM C[C@@H]1COC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617949834 568301575 /nfs/dbraw/zinc/30/15/75/568301575.db2.gz WYCYBANPPOSZOC-GFCCVEGCSA-N -1 1 370.471 2.140 20 0 FEADMM CCOC(=O)CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000604504350 568302260 /nfs/dbraw/zinc/30/22/60/568302260.db2.gz XDAQSPNXVFKQDE-UHFFFAOYSA-N -1 1 367.471 2.089 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000738342887 598842002 /nfs/dbraw/zinc/84/20/02/598842002.db2.gz SCYDYRMDYHYMSQ-UHFFFAOYSA-N -1 1 373.291 2.224 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC2(CC2)c2ccccc21 ZINC000738352930 598846592 /nfs/dbraw/zinc/84/65/92/598846592.db2.gz CIXNMMWHZLGCES-UHFFFAOYSA-N -1 1 371.397 2.246 20 0 FEADMM CCN(C)C(=O)c1cccc(OC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000736510487 598865423 /nfs/dbraw/zinc/86/54/23/598865423.db2.gz XPMCALCLHPRVSK-UHFFFAOYSA-N -1 1 357.395 2.239 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000737017432 598946629 /nfs/dbraw/zinc/94/66/29/598946629.db2.gz OWVRONCJHVCVMD-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM CN(CCNc1c2ccccc2nnc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736800699 598964839 /nfs/dbraw/zinc/96/48/39/598964839.db2.gz NUDAWJCBPGOWLI-UHFFFAOYSA-N -1 1 370.417 2.089 20 0 FEADMM CN(CCNc1c2ccccc2nnc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736800699 598964841 /nfs/dbraw/zinc/96/48/41/598964841.db2.gz NUDAWJCBPGOWLI-UHFFFAOYSA-N -1 1 370.417 2.089 20 0 FEADMM CC(C)c1nnc(Sc2c3ccccc3nnc2-c2nn[n-]n2)n1C ZINC000735952632 598964933 /nfs/dbraw/zinc/96/49/33/598964933.db2.gz JAHBDLIOXLWLSI-UHFFFAOYSA-N -1 1 353.415 2.213 20 0 FEADMM O[C@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000738389813 598968019 /nfs/dbraw/zinc/96/80/19/598968019.db2.gz NXTZWOOKDXTMPB-FQEVSTJZSA-N -1 1 373.420 2.446 20 0 FEADMM O[C@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000738389813 598968020 /nfs/dbraw/zinc/96/80/20/598968020.db2.gz NXTZWOOKDXTMPB-FQEVSTJZSA-N -1 1 373.420 2.446 20 0 FEADMM COc1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737090496 598985263 /nfs/dbraw/zinc/98/52/63/598985263.db2.gz QGULEBZBBUIFIY-UHFFFAOYSA-N -1 1 350.382 2.075 20 0 FEADMM COc1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737090496 598985265 /nfs/dbraw/zinc/98/52/65/598985265.db2.gz QGULEBZBBUIFIY-UHFFFAOYSA-N -1 1 350.382 2.075 20 0 FEADMM Cc1nccc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000737499444 598991169 /nfs/dbraw/zinc/99/11/69/598991169.db2.gz LKGHHOJUUSPBOZ-UHFFFAOYSA-N -1 1 358.365 2.279 20 0 FEADMM Cc1nccc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000737499444 598991172 /nfs/dbraw/zinc/99/11/72/598991172.db2.gz LKGHHOJUUSPBOZ-UHFFFAOYSA-N -1 1 358.365 2.279 20 0 FEADMM CC1(C)Cc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2C(=O)C1 ZINC000736211154 598991884 /nfs/dbraw/zinc/99/18/84/598991884.db2.gz LUBZIXWFTSRZNJ-UHFFFAOYSA-N -1 1 369.410 2.126 20 0 FEADMM CC1(C)Cc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2C(=O)C1 ZINC000736211154 598991886 /nfs/dbraw/zinc/99/18/86/598991886.db2.gz LUBZIXWFTSRZNJ-UHFFFAOYSA-N -1 1 369.410 2.126 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737041941 598992620 /nfs/dbraw/zinc/99/26/20/598992620.db2.gz XKGSFXANRCJRLY-NSHDSACASA-N -1 1 368.397 2.078 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737041941 598992621 /nfs/dbraw/zinc/99/26/21/598992621.db2.gz XKGSFXANRCJRLY-NSHDSACASA-N -1 1 368.397 2.078 20 0 FEADMM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104461 598993494 /nfs/dbraw/zinc/99/34/94/598993494.db2.gz YUMKLIFTQRDQFX-UHFFFAOYSA-N -1 1 366.278 2.350 20 0 FEADMM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104461 598993496 /nfs/dbraw/zinc/99/34/96/598993496.db2.gz YUMKLIFTQRDQFX-UHFFFAOYSA-N -1 1 366.278 2.350 20 0 FEADMM COc1ccccc1CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000737150723 598993872 /nfs/dbraw/zinc/99/38/72/598993872.db2.gz SWXWEBJFPYCRCR-UHFFFAOYSA-N -1 1 350.382 2.075 20 0 FEADMM COc1ccccc1CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000737150723 598993874 /nfs/dbraw/zinc/99/38/74/598993874.db2.gz SWXWEBJFPYCRCR-UHFFFAOYSA-N -1 1 350.382 2.075 20 0 FEADMM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736798368 598995977 /nfs/dbraw/zinc/99/59/77/598995977.db2.gz XKWTXXKUPBMXKM-UHFFFAOYSA-N -1 1 372.816 2.456 20 0 FEADMM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736798368 598995978 /nfs/dbraw/zinc/99/59/78/598995978.db2.gz XKWTXXKUPBMXKM-UHFFFAOYSA-N -1 1 372.816 2.456 20 0 FEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Br)cn1 ZINC000736504520 599000426 /nfs/dbraw/zinc/00/04/26/599000426.db2.gz BHRFUUYMMGLUDK-UHFFFAOYSA-N -1 1 374.202 2.086 20 0 FEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Br)cn1 ZINC000736504520 599000427 /nfs/dbraw/zinc/00/04/27/599000427.db2.gz BHRFUUYMMGLUDK-UHFFFAOYSA-N -1 1 374.202 2.086 20 0 FEADMM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738150505 599000757 /nfs/dbraw/zinc/00/07/57/599000757.db2.gz MZRNDZSXCXMCNY-UHFFFAOYSA-N -1 1 366.772 2.353 20 0 FEADMM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737455176 599002004 /nfs/dbraw/zinc/00/20/04/599002004.db2.gz NCVYQPMWWOXTAF-CYBMUJFWSA-N -1 1 355.427 2.394 20 0 FEADMM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737455176 599002006 /nfs/dbraw/zinc/00/20/06/599002006.db2.gz NCVYQPMWWOXTAF-CYBMUJFWSA-N -1 1 355.427 2.394 20 0 FEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736506350 599004403 /nfs/dbraw/zinc/00/44/03/599004403.db2.gz VMUQVPDGXPBYGY-CYBMUJFWSA-N -1 1 366.425 2.364 20 0 FEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736506350 599004405 /nfs/dbraw/zinc/00/44/05/599004405.db2.gz VMUQVPDGXPBYGY-CYBMUJFWSA-N -1 1 366.425 2.364 20 0 FEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736750196 599008832 /nfs/dbraw/zinc/00/88/32/599008832.db2.gz WDMBANNIKNKJDW-MRXNPFEDSA-N -1 1 363.425 2.003 20 0 FEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736750196 599008834 /nfs/dbraw/zinc/00/88/34/599008834.db2.gz WDMBANNIKNKJDW-MRXNPFEDSA-N -1 1 363.425 2.003 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000738259230 599024619 /nfs/dbraw/zinc/02/46/19/599024619.db2.gz OQAIEUCLGSKZHN-HNNXBMFYSA-N -1 1 352.373 2.248 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000738259230 599024620 /nfs/dbraw/zinc/02/46/20/599024620.db2.gz OQAIEUCLGSKZHN-HNNXBMFYSA-N -1 1 352.373 2.248 20 0 FEADMM NC(=O)[C@H]([NH2+]Cc1cc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736383 599096573 /nfs/dbraw/zinc/09/65/73/599096573.db2.gz IYTJUHIREZPQMS-MRXNPFEDSA-N -1 1 364.434 2.398 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000737186128 599108905 /nfs/dbraw/zinc/10/89/05/599108905.db2.gz HOYVRACPKOJOEP-QMMMGPOBSA-N -1 1 350.448 2.101 20 0 FEADMM O=C1c2ccccc2N[C@@H](c2ccc(-c3nnn[n-]3)o2)N1C[C@H]1CCCO1 ZINC000823551294 599117675 /nfs/dbraw/zinc/11/76/75/599117675.db2.gz LRTOIUACRKFACH-PIGZYNQJSA-N -1 1 366.381 2.205 20 0 FEADMM O=C1c2ccccc2N[C@@H](c2ccc(-c3nn[n-]n3)o2)N1C[C@H]1CCCO1 ZINC000823551294 599117678 /nfs/dbraw/zinc/11/76/78/599117678.db2.gz LRTOIUACRKFACH-PIGZYNQJSA-N -1 1 366.381 2.205 20 0 FEADMM COC(=O)[C@@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)c1ccccc1F ZINC000821650815 599125166 /nfs/dbraw/zinc/12/51/66/599125166.db2.gz ZGTDQWPJDYJURU-ZDUSSCGKSA-N -1 1 374.401 2.419 20 0 FEADMM C[C@H](CCc1ccc2c(c1)OCO2)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735987364 599151361 /nfs/dbraw/zinc/15/13/61/599151361.db2.gz SQAYETRGSRRKTB-LLVKDONJSA-N -1 1 367.365 2.169 20 0 FEADMM C[C@H](CCc1ccc2c(c1)OCO2)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735987364 599151362 /nfs/dbraw/zinc/15/13/62/599151362.db2.gz SQAYETRGSRRKTB-LLVKDONJSA-N -1 1 367.365 2.169 20 0 FEADMM CCCNC(=O)Nc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736488367 599154058 /nfs/dbraw/zinc/15/40/58/599154058.db2.gz PXCGEBNNJZJVKF-UHFFFAOYSA-N -1 1 367.369 2.012 20 0 FEADMM CCCNC(=O)Nc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736488367 599154061 /nfs/dbraw/zinc/15/40/61/599154061.db2.gz PXCGEBNNJZJVKF-UHFFFAOYSA-N -1 1 367.369 2.012 20 0 FEADMM C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000737716255 597494594 /nfs/dbraw/zinc/49/45/94/597494594.db2.gz GNSCYHPJSXGRHO-SNVBAGLBSA-N -1 1 367.354 2.256 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000819018736 597534590 /nfs/dbraw/zinc/53/45/90/597534590.db2.gz FWKFIVLZEJVWKN-HUUCEWRRSA-N -1 1 356.426 2.223 20 0 FEADMM C[C@H]1CCN(C(=O)COC2(C)CCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707896 674424953 /nfs/dbraw/zinc/42/49/53/674424953.db2.gz CVSZTAMWMXQQRA-GVXVVHGQSA-N -1 1 350.381 2.250 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](NCc3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000263440054 598192532 /nfs/dbraw/zinc/19/25/32/598192532.db2.gz WBRFZHQSZGODHN-SFHVURJKSA-N -1 1 370.405 2.297 20 0 FEADMM COc1cccc([C@@H]2[C@@H](NC(=O)NCCCC(=O)[O-])CCN2C2CC2)c1 ZINC000571997864 598209054 /nfs/dbraw/zinc/20/90/54/598209054.db2.gz IMGFZAXZHZJAOW-FUHWJXTLSA-N -1 1 361.442 2.137 20 0 FEADMM CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735803436 598258786 /nfs/dbraw/zinc/25/87/86/598258786.db2.gz DLIJFAJAABCNJL-UHFFFAOYSA-N -1 1 366.491 2.345 20 0 FEADMM CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735803436 598258787 /nfs/dbraw/zinc/25/87/87/598258787.db2.gz DLIJFAJAABCNJL-UHFFFAOYSA-N -1 1 366.491 2.345 20 0 FEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736435862 598260549 /nfs/dbraw/zinc/26/05/49/598260549.db2.gz RDKOBNHYZHYZQG-CQSZACIVSA-N -1 1 358.427 2.081 20 0 FEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736435862 598260550 /nfs/dbraw/zinc/26/05/50/598260550.db2.gz RDKOBNHYZHYZQG-CQSZACIVSA-N -1 1 358.427 2.081 20 0 FEADMM c1ccc(Nc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)cc1 ZINC000738436492 598337642 /nfs/dbraw/zinc/33/76/42/598337642.db2.gz RSUOCHVOVNJIJY-UHFFFAOYSA-N -1 1 355.412 2.403 20 0 FEADMM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154536 607351766 /nfs/dbraw/zinc/35/17/66/607351766.db2.gz FMVUPKRXDXAHAT-SNVBAGLBSA-N -1 1 365.484 2.103 20 0 FEADMM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154536 607351767 /nfs/dbraw/zinc/35/17/67/607351767.db2.gz FMVUPKRXDXAHAT-SNVBAGLBSA-N -1 1 365.484 2.103 20 0 FEADMM FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000737629028 598346890 /nfs/dbraw/zinc/34/68/90/598346890.db2.gz ZOOLGDKUZMIVJL-RNFRBKRXSA-N -1 1 367.257 2.224 20 0 FEADMM FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000737629028 598346891 /nfs/dbraw/zinc/34/68/91/598346891.db2.gz ZOOLGDKUZMIVJL-RNFRBKRXSA-N -1 1 367.257 2.224 20 0 FEADMM Clc1ccc(C2(CNc3nccnc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000737570994 598348321 /nfs/dbraw/zinc/34/83/21/598348321.db2.gz OZYITXDWULWRQE-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM Clc1ccc(C2(CNc3nccnc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737570994 598348322 /nfs/dbraw/zinc/34/83/22/598348322.db2.gz OZYITXDWULWRQE-UHFFFAOYSA-N -1 1 371.832 2.470 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000823478392 607359262 /nfs/dbraw/zinc/35/92/62/607359262.db2.gz KFFGEEPAVNQPCB-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000823478392 607359264 /nfs/dbraw/zinc/35/92/64/607359264.db2.gz KFFGEEPAVNQPCB-ZDUSSCGKSA-N -1 1 373.413 2.406 20 0 FEADMM COc1cccc2c1OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000737142822 598613144 /nfs/dbraw/zinc/61/31/44/598613144.db2.gz NAGODOATSRQCFY-QMMMGPOBSA-N -1 1 364.818 2.401 20 0 FEADMM COc1cccc2c1OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000737142822 598613145 /nfs/dbraw/zinc/61/31/45/598613145.db2.gz NAGODOATSRQCFY-QMMMGPOBSA-N -1 1 364.818 2.401 20 0 FEADMM Cc1csc([C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)n1 ZINC000737452426 598671686 /nfs/dbraw/zinc/67/16/86/598671686.db2.gz JRONGJOXUKRFIL-ZETCQYMHSA-N -1 1 369.863 2.319 20 0 FEADMM Cc1csc([C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)n1 ZINC000737452426 598671687 /nfs/dbraw/zinc/67/16/87/598671687.db2.gz JRONGJOXUKRFIL-ZETCQYMHSA-N -1 1 369.863 2.319 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000738372077 598676786 /nfs/dbraw/zinc/67/67/86/598676786.db2.gz NGKSQDUIIBFTDQ-UHFFFAOYSA-N -1 1 354.757 2.385 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000738354682 598694277 /nfs/dbraw/zinc/69/42/77/598694277.db2.gz JNPOUNVCUYDRCA-ZDUSSCGKSA-N -1 1 373.413 2.184 20 0 FEADMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)c1 ZINC000808092639 674440701 /nfs/dbraw/zinc/44/07/01/674440701.db2.gz BQDWTHKAOMTTEN-UHFFFAOYSA-N -1 1 363.819 2.068 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(CCOCC(F)(F)F)c2ccc(Cl)cc12 ZINC000738372734 598721923 /nfs/dbraw/zinc/72/19/23/598721923.db2.gz UFLLMEGIBAEKOU-UHFFFAOYSA-N -1 1 373.722 2.414 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccccc2)c(F)c1 ZINC000808341680 674454402 /nfs/dbraw/zinc/45/44/02/674454402.db2.gz XYXPICXSNUAXMS-MEBBXXQBSA-N -1 1 357.378 2.374 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)cc1 ZINC000808120730 674442267 /nfs/dbraw/zinc/44/22/67/674442267.db2.gz WBCTYIPRIPZQJX-UHFFFAOYSA-N -1 1 351.449 2.427 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)CC(C)C ZINC000737486915 598785526 /nfs/dbraw/zinc/78/55/26/598785526.db2.gz GLJJOURKUAHZRD-NSHDSACASA-N -1 1 371.445 2.437 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)CC(C)C ZINC000737486915 598785528 /nfs/dbraw/zinc/78/55/28/598785528.db2.gz GLJJOURKUAHZRD-NSHDSACASA-N -1 1 371.445 2.437 20 0 FEADMM C[C@@H](c1ccco1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820570392 599339574 /nfs/dbraw/zinc/33/95/74/599339574.db2.gz JAZULVJZDATFGH-VIFPVBQESA-N -1 1 367.818 2.495 20 0 FEADMM CN(C(C1CC1)C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821574602 599340739 /nfs/dbraw/zinc/34/07/39/599340739.db2.gz NYUVPDWUAOPNMP-UHFFFAOYSA-N -1 1 367.862 2.329 20 0 FEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1 ZINC000822693813 599402369 /nfs/dbraw/zinc/40/23/69/599402369.db2.gz KPRXNZMGMASFGQ-OAHLLOKOSA-N -1 1 353.361 2.212 20 0 FEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1 ZINC000822693813 599402370 /nfs/dbraw/zinc/40/23/70/599402370.db2.gz KPRXNZMGMASFGQ-OAHLLOKOSA-N -1 1 353.361 2.212 20 0 FEADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000738413024 599428229 /nfs/dbraw/zinc/42/82/29/599428229.db2.gz PUNYWBXONITDEG-CQSZACIVSA-N -1 1 350.382 2.374 20 0 FEADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000738413024 599428231 /nfs/dbraw/zinc/42/82/31/599428231.db2.gz PUNYWBXONITDEG-CQSZACIVSA-N -1 1 350.382 2.374 20 0 FEADMM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1noc(C)n1 ZINC000821882538 599440257 /nfs/dbraw/zinc/44/02/57/599440257.db2.gz DHKHCCSMANRQQC-HNNXBMFYSA-N -1 1 367.369 2.039 20 0 FEADMM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1noc(C)n1 ZINC000821882538 599440259 /nfs/dbraw/zinc/44/02/59/599440259.db2.gz DHKHCCSMANRQQC-HNNXBMFYSA-N -1 1 367.369 2.039 20 0 FEADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820870576 599488838 /nfs/dbraw/zinc/48/88/38/599488838.db2.gz VKYQKVQQZWREKT-DTWKUNHWSA-N -1 1 350.448 2.244 20 0 FEADMM CCOc1ncnc2c1CN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821441286 599510925 /nfs/dbraw/zinc/51/09/25/599510925.db2.gz JZTGUHSDLDUKQA-UHFFFAOYSA-N -1 1 374.408 2.166 20 0 FEADMM CCOc1ncnc2c1CN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821441286 599510927 /nfs/dbraw/zinc/51/09/27/599510927.db2.gz JZTGUHSDLDUKQA-UHFFFAOYSA-N -1 1 374.408 2.166 20 0 FEADMM O=C(OCCCN1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823400675 599626824 /nfs/dbraw/zinc/62/68/24/599626824.db2.gz HZMMBBSCQQETDX-UHFFFAOYSA-N -1 1 364.409 2.261 20 0 FEADMM O=C(OCCCN1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823400675 599626825 /nfs/dbraw/zinc/62/68/25/599626825.db2.gz HZMMBBSCQQETDX-UHFFFAOYSA-N -1 1 364.409 2.261 20 0 FEADMM CCc1cnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000821499278 599651338 /nfs/dbraw/zinc/65/13/38/599651338.db2.gz HKEDRIMLJQMDKL-UHFFFAOYSA-N -1 1 368.353 2.466 20 0 FEADMM CCc1cnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000821499278 599651339 /nfs/dbraw/zinc/65/13/39/599651339.db2.gz HKEDRIMLJQMDKL-UHFFFAOYSA-N -1 1 368.353 2.466 20 0 FEADMM O=C([O-])CSCCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000739850542 599710473 /nfs/dbraw/zinc/71/04/73/599710473.db2.gz VIGCSLJLVONGPQ-UHFFFAOYSA-N -1 1 354.497 2.382 20 0 FEADMM O=C([O-])CSCCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739847354 599748135 /nfs/dbraw/zinc/74/81/35/599748135.db2.gz WACKJLSPSQSBMC-UHFFFAOYSA-N -1 1 354.447 2.114 20 0 FEADMM O=C([O-])C[C@@H]1CCCCN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000650506478 599753906 /nfs/dbraw/zinc/75/39/06/599753906.db2.gz NJRCMJGUBPHMLY-ZDUSSCGKSA-N -1 1 362.455 2.261 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000738543810 599780884 /nfs/dbraw/zinc/78/08/84/599780884.db2.gz SXWRRRUQYYCNGR-KBPBESRZSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000740134698 599781890 /nfs/dbraw/zinc/78/18/90/599781890.db2.gz IZIKZCFVYBMEQG-ZDUSSCGKSA-N -1 1 372.874 2.287 20 0 FEADMM CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000737204310 599853267 /nfs/dbraw/zinc/85/32/67/599853267.db2.gz YXFFNOIJFDFZRO-UHFFFAOYSA-N -1 1 367.379 2.299 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000738275628 599933297 /nfs/dbraw/zinc/93/32/97/599933297.db2.gz SFLSXDFTVCJTFT-UHFFFAOYSA-N -1 1 354.472 2.236 20 0 FEADMM Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738807731 599976367 /nfs/dbraw/zinc/97/63/67/599976367.db2.gz BVAVBTCGFGUHKI-MAUKXSAKSA-N -1 1 370.453 2.232 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)COC(=O)c1[nH]c(-c2ccccc2)nc1C)C(=O)[O-] ZINC000736875345 600029405 /nfs/dbraw/zinc/02/94/05/600029405.db2.gz WMTOGIRNOZFPGU-NHYWBVRUSA-N -1 1 373.409 2.157 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000739285735 600073258 /nfs/dbraw/zinc/07/32/58/600073258.db2.gz MWQNGWMGPPLLEU-JKSUJKDBSA-N -1 1 359.426 2.160 20 0 FEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736218292 600287719 /nfs/dbraw/zinc/28/77/19/600287719.db2.gz MOEFLTUEENYKFA-ZFWWWQNUSA-N -1 1 374.437 2.362 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000738026617 600293046 /nfs/dbraw/zinc/29/30/46/600293046.db2.gz OHULIQBUFPQZHZ-TZMCWYRMSA-N -1 1 362.426 2.218 20 0 FEADMM Cc1csc(=O)n1CCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738813709 600326530 /nfs/dbraw/zinc/32/65/30/600326530.db2.gz GVDZFIAWPSVSSB-UHFFFAOYSA-N -1 1 356.394 2.473 20 0 FEADMM COC(=O)[C@@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000737582095 600398138 /nfs/dbraw/zinc/39/81/38/600398138.db2.gz YCHIANCDUQUQKF-RBUKOAKNSA-N -1 1 368.433 2.344 20 0 FEADMM CCO[C@H]1CCCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)C1 ZINC000737166349 600435046 /nfs/dbraw/zinc/43/50/46/600435046.db2.gz XHZHKXURXSYOFT-YJBOKZPZSA-N -1 1 373.453 2.222 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000740145651 600515732 /nfs/dbraw/zinc/51/57/32/600515732.db2.gz DCAOOWVYOANJHZ-CABCVRRESA-N -1 1 367.833 2.101 20 0 FEADMM Cc1ccc(-c2cc(C(=O)Nc3nnc(CCCC(=O)[O-])s3)[nH]n2)o1 ZINC000738488375 600554711 /nfs/dbraw/zinc/55/47/11/600554711.db2.gz LSWIRMCSNMYGJV-UHFFFAOYSA-N -1 1 361.383 2.489 20 0 FEADMM CC[C@](C)(NCC(=O)N1c2ccccc2NC(=O)C12CCCC2)C(=O)[O-] ZINC000736861923 600561672 /nfs/dbraw/zinc/56/16/72/600561672.db2.gz YJXUDPRQWPSCBJ-SFHVURJKSA-N -1 1 359.426 2.127 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)C(=O)[O-] ZINC000736863773 600563815 /nfs/dbraw/zinc/56/38/15/600563815.db2.gz OVXLUDHLANGAMR-IBGZPJMESA-N -1 1 361.442 2.140 20 0 FEADMM O=C([O-])c1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)ccc1F ZINC000739243268 600653026 /nfs/dbraw/zinc/65/30/26/600653026.db2.gz HAVBFKWGONLBOD-UHFFFAOYSA-N -1 1 372.400 2.070 20 0 FEADMM C[C@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])N(C)Cc1ccccc1 ZINC000736209224 600667556 /nfs/dbraw/zinc/66/75/56/600667556.db2.gz QVTKDSGYKJFRJI-CRAIPNDOSA-N -1 1 370.449 2.272 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)cs1 ZINC000324634913 600673824 /nfs/dbraw/zinc/67/38/24/600673824.db2.gz GVXZQFZCGUHZCD-UHFFFAOYSA-N -1 1 368.392 2.204 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000831348475 600678431 /nfs/dbraw/zinc/67/84/31/600678431.db2.gz SBWAOAKATFDOCG-UHFFFAOYSA-N -1 1 370.408 2.450 20 0 FEADMM O=C([O-])[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1F ZINC000833170581 600744119 /nfs/dbraw/zinc/74/41/19/600744119.db2.gz YPPBZKREVLFLBC-GOSISDBHSA-N -1 1 372.396 2.214 20 0 FEADMM CCOC[C@H]1CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829984831 600797405 /nfs/dbraw/zinc/79/74/05/600797405.db2.gz ROWPTWFJZSFPSY-GXTWGEPZSA-N -1 1 352.456 2.300 20 0 FEADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000833232646 600955351 /nfs/dbraw/zinc/95/53/51/600955351.db2.gz FJKAMCNBAOUFCB-GOSISDBHSA-N -1 1 369.421 2.343 20 0 FEADMM O=C([O-])C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)c2ccccc21 ZINC000739654065 600962056 /nfs/dbraw/zinc/96/20/56/600962056.db2.gz QYOVHEFUQHLVAE-GFCCVEGCSA-N -1 1 371.418 2.087 20 0 FEADMM CC(C)C[C@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)C(=O)[O-] ZINC000736404504 600980782 /nfs/dbraw/zinc/98/07/82/600980782.db2.gz FMNYZIFAWNMAPH-OAHLLOKOSA-N -1 1 362.474 2.307 20 0 FEADMM Cc1csc(C(C)(C)NC[C@@H](O)COc2ccc(C(=O)[O-])cc2)n1 ZINC000832989024 601012590 /nfs/dbraw/zinc/01/25/90/601012590.db2.gz QPAIPQHNVJINRM-CYBMUJFWSA-N -1 1 350.440 2.414 20 0 FEADMM CN(C(=O)CN1CCSC[C@@H]1CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000830485964 601016243 /nfs/dbraw/zinc/01/62/43/601016243.db2.gz RXSKNWANSKFLMK-DOTOQJQBSA-N -1 1 362.495 2.415 20 0 FEADMM COc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1OC(C)C ZINC000630226775 601095949 /nfs/dbraw/zinc/09/59/49/601095949.db2.gz ZSKXLUDCAFWDPS-CQSZACIVSA-N -1 1 364.442 2.103 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000630221624 601100001 /nfs/dbraw/zinc/10/00/01/601100001.db2.gz AEDPXBYAAYIFTF-FRRDWIJNSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000827369139 601102861 /nfs/dbraw/zinc/10/28/61/601102861.db2.gz PCLWEBNFDMXDDP-LBPRGKRZSA-N -1 1 363.845 2.371 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000630226489 601107319 /nfs/dbraw/zinc/10/73/19/601107319.db2.gz YIBVQQWYMDIBEB-GFCCVEGCSA-N -1 1 358.360 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000827369107 601127202 /nfs/dbraw/zinc/12/72/02/601127202.db2.gz OGHVJSBNBXXBFB-NSHDSACASA-N -1 1 357.357 2.301 20 0 FEADMM Cc1nc(-c2ccccc2NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)no1 ZINC000832992598 601130036 /nfs/dbraw/zinc/13/00/36/601130036.db2.gz NUMMWYKDPQDHOB-LBPRGKRZSA-N -1 1 373.413 2.058 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC000827374882 601133755 /nfs/dbraw/zinc/13/37/55/601133755.db2.gz NLYAEPDAMHCLAV-SECBINFHSA-N -1 1 354.457 2.371 20 0 FEADMM Cc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1Br ZINC000630221442 601182685 /nfs/dbraw/zinc/18/26/85/601182685.db2.gz AHHSZKJUGQSVPX-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829396960 601219600 /nfs/dbraw/zinc/21/96/00/601219600.db2.gz ZXDWQBMYKVZSJO-ZDUSSCGKSA-N -1 1 358.460 2.219 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829119572 601244255 /nfs/dbraw/zinc/24/42/55/601244255.db2.gz SHWVHTDNJYGKOT-KXKDPZRNSA-N -1 1 366.483 2.327 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)n[nH]2)cc1OC ZINC000262698073 601282789 /nfs/dbraw/zinc/28/27/89/601282789.db2.gz YCBPGNJEBFYMKA-LBPRGKRZSA-N -1 1 359.382 2.031 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@H](N2CCC[C@]3(CCCOC3)C2)C1=O ZINC000833336242 601308265 /nfs/dbraw/zinc/30/82/65/601308265.db2.gz NUPOEERLOTUDQG-KSSFIOAISA-N -1 1 364.467 2.444 20 0 FEADMM CCOc1cccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000830104556 601337813 /nfs/dbraw/zinc/33/78/13/601337813.db2.gz HWNVKJLSALHQRA-CYBMUJFWSA-N -1 1 351.472 2.263 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccccn1 ZINC000831916745 601360737 /nfs/dbraw/zinc/36/07/37/601360737.db2.gz BMCBUZGTXSQKQR-DOTOQJQBSA-N -1 1 372.421 2.365 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN1CCN(CCn2cccn2)C[C@H]1CC ZINC000830375283 601417619 /nfs/dbraw/zinc/41/76/19/601417619.db2.gz KYDJPBUKCGXKRN-MRXNPFEDSA-N -1 1 360.458 2.333 20 0 FEADMM C[C@](NCCOc1cccc(C(=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000827734870 601423788 /nfs/dbraw/zinc/42/37/88/601423788.db2.gz NQLDEVNPPYIOND-GOSISDBHSA-N -1 1 362.813 2.407 20 0 FEADMM CO[C@]1(C)C[C@H](N(C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1(C)C ZINC000831526862 601429999 /nfs/dbraw/zinc/42/99/99/601429999.db2.gz PJXNAAMOIRYZRE-LLGFUMIMSA-N -1 1 374.481 2.160 20 0 FEADMM O=C([O-])C[C@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CCO1 ZINC000581434894 601459176 /nfs/dbraw/zinc/45/91/76/601459176.db2.gz QRKSKKHWNCGTBL-HOTGVXAUSA-N -1 1 368.433 2.331 20 0 FEADMM CCC1CCC(NCC(=O)NC[C@H]2Cc3ccccc3O2)(C(=O)[O-])CC1 ZINC000829101646 601495206 /nfs/dbraw/zinc/49/52/06/601495206.db2.gz UABSOYFWAPTUTB-CZDRUDQFSA-N -1 1 360.454 2.120 20 0 FEADMM CN(CCN1CCCS1(=O)=O)Cc1c2ccccc2sc1C(=O)[O-] ZINC000652434106 601549010 /nfs/dbraw/zinc/54/90/10/601549010.db2.gz QXGVNOHGCDXATB-UHFFFAOYSA-N -1 1 368.480 2.067 20 0 FEADMM CCCS(=O)(=O)NC1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000563892182 601618826 /nfs/dbraw/zinc/61/88/26/601618826.db2.gz NKUTYVGPPSZYQX-UHFFFAOYSA-N -1 1 360.501 2.049 20 0 FEADMM Cc1nnc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)[nH]1 ZINC000832990516 601732505 /nfs/dbraw/zinc/73/25/05/601732505.db2.gz DGVFYVNIERATED-NSHDSACASA-N -1 1 354.819 2.191 20 0 FEADMM Cc1n[nH]c(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)n1 ZINC000832990516 601732507 /nfs/dbraw/zinc/73/25/07/601732507.db2.gz DGVFYVNIERATED-NSHDSACASA-N -1 1 354.819 2.191 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2)CC1 ZINC000830954687 601786189 /nfs/dbraw/zinc/78/61/89/601786189.db2.gz FKFMMQZSWMSIDG-LJQANCHMSA-N -1 1 373.497 2.197 20 0 FEADMM O=C([O-])CCC1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000833222268 601822507 /nfs/dbraw/zinc/82/25/07/601822507.db2.gz NOEMOQHAEUHPDN-FQEVSTJZSA-N -1 1 374.481 2.288 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)NCCN2CCCCCC2)ccc1Cl ZINC000320349077 601834699 /nfs/dbraw/zinc/83/46/99/601834699.db2.gz KRHUBBLWAOAARR-UHFFFAOYSA-N -1 1 360.863 2.193 20 0 FEADMM COC(=O)CCC1CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000831152189 601842903 /nfs/dbraw/zinc/84/29/03/601842903.db2.gz NJAUGPRWWUGHQG-UHFFFAOYSA-N -1 1 362.426 2.013 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])ccc1Cl ZINC000831353718 601843727 /nfs/dbraw/zinc/84/37/27/601843727.db2.gz PKAMZYUOFGUFBS-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000828019681 601850070 /nfs/dbraw/zinc/85/00/70/601850070.db2.gz AMSVYSQDGAGRKG-BLLLJJGKSA-N -1 1 370.327 2.134 20 0 FEADMM COCCN(C(C)=O)c1nc(CNC2(CC(=O)[O-])CCCCC2)cs1 ZINC000831710019 601883237 /nfs/dbraw/zinc/88/32/37/601883237.db2.gz MTXRMRXTIGNHFQ-UHFFFAOYSA-N -1 1 369.487 2.410 20 0 FEADMM CC1CCC(N(C(=O)CN2CCSC[C@@H]2CC(=O)[O-])C2CC2)CC1 ZINC000828225554 601885756 /nfs/dbraw/zinc/88/57/56/601885756.db2.gz DPBRASBPKPZHRZ-XUJLQICISA-N -1 1 354.516 2.448 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](O)CC)c(F)cc1Cl ZINC000809396172 674492886 /nfs/dbraw/zinc/49/28/86/674492886.db2.gz XKRKQWADANWRBJ-VIFPVBQESA-N -1 1 367.826 2.095 20 0 FEADMM CCOc1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1OCC ZINC000830080505 601915836 /nfs/dbraw/zinc/91/58/36/601915836.db2.gz OEANXKSRQVCPEP-GOSISDBHSA-N -1 1 350.415 2.219 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000828024452 601919943 /nfs/dbraw/zinc/91/99/43/601919943.db2.gz PETLLSCHTFRQMH-GOSISDBHSA-N -1 1 360.410 2.463 20 0 FEADMM O=C([O-])N1CSC[C@@H]1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000740467001 601921868 /nfs/dbraw/zinc/92/18/68/601921868.db2.gz XLNKLWOXGIEKDY-OLZOCXBDSA-N -1 1 362.411 2.406 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000826008245 601924677 /nfs/dbraw/zinc/92/46/77/601924677.db2.gz HFJXSOJFRQDJME-DGCLKSJQSA-N -1 1 356.875 2.237 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738630111 601943530 /nfs/dbraw/zinc/94/35/30/601943530.db2.gz JMJKROKOWCYAFX-LSDHHAIUSA-N -1 1 360.458 2.203 20 0 FEADMM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000828160047 601956649 /nfs/dbraw/zinc/95/66/49/601956649.db2.gz FABBKUWFLUQAKG-UTUOFQBUSA-N -1 1 360.501 2.091 20 0 FEADMM CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccnc1 ZINC000825797191 607538789 /nfs/dbraw/zinc/53/87/89/607538789.db2.gz XXKBFFQQOBUHQE-UHFFFAOYSA-N -1 1 365.426 2.227 20 0 FEADMM CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1cccnc1 ZINC000825797191 607538791 /nfs/dbraw/zinc/53/87/91/607538791.db2.gz XXKBFFQQOBUHQE-UHFFFAOYSA-N -1 1 365.426 2.227 20 0 FEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000828487269 602018394 /nfs/dbraw/zinc/01/83/94/602018394.db2.gz OMZJFPIHJSJFFL-CZUORRHYSA-N -1 1 368.437 2.265 20 0 FEADMM O=C([O-])NCCN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000740659108 602050512 /nfs/dbraw/zinc/05/05/12/602050512.db2.gz PSOAABOICRQAJR-CYBMUJFWSA-N -1 1 359.348 2.226 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1ccsc1 ZINC000739609721 602086777 /nfs/dbraw/zinc/08/67/77/602086777.db2.gz XMTKGKKROPJSRC-CQSZACIVSA-N -1 1 354.476 2.040 20 0 FEADMM Cc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1C(=O)N1CCCC1 ZINC000826299563 607549512 /nfs/dbraw/zinc/54/95/12/607549512.db2.gz KZVMINJEKPNFHG-UHFFFAOYSA-N -1 1 363.425 2.418 20 0 FEADMM Cc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1C(=O)N1CCCC1 ZINC000826299563 607549514 /nfs/dbraw/zinc/54/95/14/607549514.db2.gz KZVMINJEKPNFHG-UHFFFAOYSA-N -1 1 363.425 2.418 20 0 FEADMM Cc1n[nH]c([C@@H]2CCCN([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000832997450 602233825 /nfs/dbraw/zinc/23/38/25/602233825.db2.gz YOROJYFJUGTYLN-WCQYABFASA-N -1 1 359.430 2.207 20 0 FEADMM Cc1nnc([C@@H]2CCCN([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)[nH]1 ZINC000832997450 602233827 /nfs/dbraw/zinc/23/38/27/602233827.db2.gz YOROJYFJUGTYLN-WCQYABFASA-N -1 1 359.430 2.207 20 0 FEADMM CC(C)(NC(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000736323967 602312472 /nfs/dbraw/zinc/31/24/72/602312472.db2.gz BAYBPXGCHPBWFS-UHFFFAOYSA-N -1 1 357.414 2.224 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1F ZINC000677234694 602321651 /nfs/dbraw/zinc/32/16/51/602321651.db2.gz DGUXLSIJRFBEED-UHFFFAOYSA-N -1 1 353.327 2.096 20 0 FEADMM Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833015213 602344774 /nfs/dbraw/zinc/34/47/74/602344774.db2.gz HNPBENCARIQWIE-QAPCUYQASA-N -1 1 359.426 2.004 20 0 FEADMM CN(C[C@H]1CCCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1)C(=O)[O-] ZINC000739636230 602399117 /nfs/dbraw/zinc/39/91/17/602399117.db2.gz ISTLWJSJZKONID-CHWSQXEVSA-N -1 1 365.396 2.109 20 0 FEADMM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000740668635 602456034 /nfs/dbraw/zinc/45/60/34/602456034.db2.gz PXONAEXODKVEPI-UHFFFAOYSA-N -1 1 371.802 2.182 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC000826304239 607572039 /nfs/dbraw/zinc/57/20/39/607572039.db2.gz DFQUSHNLNDAIAS-UHFFFAOYSA-N -1 1 367.390 2.491 20 0 FEADMM CN(C(=O)NCC1(NC(=O)[O-])CCCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000739575926 602618085 /nfs/dbraw/zinc/61/80/85/602618085.db2.gz MAVYNZXUDOZLKL-HNNXBMFYSA-N -1 1 352.479 2.225 20 0 FEADMM O=C([O-])N1CCc2nc(NC(=O)Cc3[nH]nc4ccccc43)sc2C1 ZINC000740386413 602676369 /nfs/dbraw/zinc/67/63/69/602676369.db2.gz CXNBZRPAKKSWCZ-UHFFFAOYSA-N -1 1 357.395 2.237 20 0 FEADMM C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739106016 602697609 /nfs/dbraw/zinc/69/76/09/602697609.db2.gz PMXHOGSQVVAIGK-OAHLLOKOSA-N -1 1 362.474 2.407 20 0 FEADMM O=C([O-])NCCC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000738656877 602722943 /nfs/dbraw/zinc/72/29/43/602722943.db2.gz JAKKFOQHEHTFKG-OAHLLOKOSA-N -1 1 353.850 2.468 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)N1CCc2ccccc2C1 ZINC000739136596 602814125 /nfs/dbraw/zinc/81/41/25/602814125.db2.gz OUYFKNCYMRTGFC-IIDMSEBBSA-N -1 1 374.485 2.121 20 0 FEADMM C[C@H]1CCN(Cc2cnc(N(C)C)s2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809769898 674509062 /nfs/dbraw/zinc/50/90/62/674509062.db2.gz VLJOLUDBOOKIGX-NHCYSSNCSA-N -1 1 364.437 2.487 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739132047 602836247 /nfs/dbraw/zinc/83/62/47/602836247.db2.gz DXMWQMKLZKMLJA-KCXAZCMYSA-N -1 1 366.437 2.116 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1noc(-c2cccs2)n1 ZINC000558710129 674512224 /nfs/dbraw/zinc/51/22/24/674512224.db2.gz ZJIORFBTHIEHLK-UHFFFAOYSA-N -1 1 363.424 2.254 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739605366 602955649 /nfs/dbraw/zinc/95/56/49/602955649.db2.gz BGISVTMVSNZMIR-JKSUJKDBSA-N -1 1 366.437 2.260 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739604736 602960607 /nfs/dbraw/zinc/96/06/07/602960607.db2.gz ACHXOSPJUJTHMF-HOTGVXAUSA-N -1 1 366.437 2.260 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-])c1cccs1 ZINC000827993812 603003914 /nfs/dbraw/zinc/00/39/14/603003914.db2.gz GINMFXDADKILAJ-HZSPNIEDSA-N -1 1 368.503 2.476 20 0 FEADMM CCCc1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n[nH]1 ZINC000739373669 603058942 /nfs/dbraw/zinc/05/89/42/603058942.db2.gz NNBLIBCZSVSLQM-UHFFFAOYSA-N -1 1 369.385 2.167 20 0 FEADMM CCCc1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n[nH]1 ZINC000739373669 603058947 /nfs/dbraw/zinc/05/89/47/603058947.db2.gz NNBLIBCZSVSLQM-UHFFFAOYSA-N -1 1 369.385 2.167 20 0 FEADMM CN(C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1)C(=O)[O-] ZINC000739658568 603083983 /nfs/dbraw/zinc/08/39/83/603083983.db2.gz FKBRINZKBNSFRX-SWLSCSKDSA-N -1 1 351.834 2.377 20 0 FEADMM CN(C[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1)C(=O)[O-] ZINC000739658568 603083987 /nfs/dbraw/zinc/08/39/87/603083987.db2.gz FKBRINZKBNSFRX-SWLSCSKDSA-N -1 1 351.834 2.377 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(-c2ccccn2)s1 ZINC000826466988 607606373 /nfs/dbraw/zinc/60/63/73/607606373.db2.gz BZYDFZGQSPQWLG-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(-c2ccccn2)s1 ZINC000826466988 607606375 /nfs/dbraw/zinc/60/63/75/607606375.db2.gz BZYDFZGQSPQWLG-UHFFFAOYSA-N -1 1 365.378 2.137 20 0 FEADMM COc1ccc([C@H](CNC(=O)C[C@@H](C)NC(=O)[O-])N2CCCCC2)cc1 ZINC000829309848 603231608 /nfs/dbraw/zinc/23/16/08/603231608.db2.gz DUDAKXCAEZVLPJ-PBHICJAKSA-N -1 1 363.458 2.385 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739905405 603357853 /nfs/dbraw/zinc/35/78/53/603357853.db2.gz DMCWUARMAUBUQI-NSHDSACASA-N -1 1 355.822 2.361 20 0 FEADMM Cc1nc(C)c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)o1 ZINC000830715414 603473108 /nfs/dbraw/zinc/47/31/08/603473108.db2.gz CUPWQWIAWMFTBU-UHFFFAOYSA-N -1 1 356.342 2.096 20 0 FEADMM Cc1nc(C)c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)o1 ZINC000830715414 603473112 /nfs/dbraw/zinc/47/31/12/603473112.db2.gz CUPWQWIAWMFTBU-UHFFFAOYSA-N -1 1 356.342 2.096 20 0 FEADMM O=C([O-])N[C@@H](CNC(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000832128998 603499773 /nfs/dbraw/zinc/49/97/73/603499773.db2.gz UCWJHKOKNBWHPQ-VIFPVBQESA-N -1 1 370.481 2.044 20 0 FEADMM CC(C)(CCC(=O)NCC1(CN2CCOCC2)CCCCC1)NC(=O)[O-] ZINC000823889887 603526613 /nfs/dbraw/zinc/52/66/13/603526613.db2.gz HJCYCULPBFMVOA-UHFFFAOYSA-N -1 1 369.506 2.212 20 0 FEADMM O=C([O-])N[C@@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccccc1 ZINC000832127328 603640423 /nfs/dbraw/zinc/64/04/23/603640423.db2.gz FGTOMYYMEPFIJJ-INIZCTEOSA-N -1 1 357.414 2.308 20 0 FEADMM CC(C)(CNC(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000823946105 603651471 /nfs/dbraw/zinc/65/14/71/603651471.db2.gz AOOIHCKMWBTITI-UHFFFAOYSA-N -1 1 371.441 2.472 20 0 FEADMM Cc1ccc(CN2CCSCC2)cc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000830308969 603714563 /nfs/dbraw/zinc/71/45/63/603714563.db2.gz SSVDEBGQCAOSDT-UHFFFAOYSA-N -1 1 363.483 2.482 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[C@H]1NC(=O)[O-] ZINC000826035391 603830315 /nfs/dbraw/zinc/83/03/15/603830315.db2.gz VRSHTEYBXXPLFG-CXAGYDPISA-N -1 1 354.410 2.365 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1cccc(F)c1 ZINC000828200765 603888140 /nfs/dbraw/zinc/88/81/40/603888140.db2.gz ZPMGMCWTCDNROD-HZPDHXFCSA-N -1 1 366.437 2.212 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000827995113 604022873 /nfs/dbraw/zinc/02/28/73/604022873.db2.gz PXXPXRJVIOPXGP-ZDUSSCGKSA-N -1 1 354.476 2.135 20 0 FEADMM CCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000825171995 607667806 /nfs/dbraw/zinc/66/78/06/607667806.db2.gz YKZBDVNMYDAZFI-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM CCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000825171995 607667807 /nfs/dbraw/zinc/66/78/07/607667807.db2.gz YKZBDVNMYDAZFI-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM O=C([O-])N1CC[C@@H](CN2CCN(Cc3nc(-c4ccccc4)co3)CC2)C1 ZINC000831879555 604052276 /nfs/dbraw/zinc/05/22/76/604052276.db2.gz YKSUXORTOVUMEA-INIZCTEOSA-N -1 1 370.453 2.459 20 0 FEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000829610424 604057193 /nfs/dbraw/zinc/05/71/93/604057193.db2.gz CANAPDNMXRYPQR-MRXNPFEDSA-N -1 1 372.356 2.336 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000832147363 604058014 /nfs/dbraw/zinc/05/80/14/604058014.db2.gz FOQYDDMEOKZPCS-INIZCTEOSA-N -1 1 370.384 2.240 20 0 FEADMM C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256447 604166277 /nfs/dbraw/zinc/16/62/77/604166277.db2.gz XWQLXBAWGCZBOI-BFHYXJOUSA-N -1 1 353.488 2.163 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000825200897 604224542 /nfs/dbraw/zinc/22/45/42/604224542.db2.gz IQPBGWCBLZYBFA-YQQAZPJKSA-N -1 1 359.470 2.328 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829592897 604259573 /nfs/dbraw/zinc/25/95/73/604259573.db2.gz WLHQSCWQUGOZNE-ILXRZTDVSA-N -1 1 363.458 2.241 20 0 FEADMM COc1cccc([C@@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)N(C)C)c1 ZINC000832534144 604323301 /nfs/dbraw/zinc/32/33/01/604323301.db2.gz UZWVBHBMCQHWQT-MRXNPFEDSA-N -1 1 358.398 2.213 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000832668437 604332440 /nfs/dbraw/zinc/33/24/40/604332440.db2.gz LMUDPYNKTDBPED-CQSZACIVSA-N -1 1 359.386 2.255 20 0 FEADMM CN1CC[C@@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000833697619 604706994 /nfs/dbraw/zinc/70/69/94/604706994.db2.gz HFZYZBLVZONZBC-QZTJIDSGSA-N -1 1 374.462 2.250 20 0 FEADMM O=C([O-])c1ccccc1CCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000833764123 604716609 /nfs/dbraw/zinc/71/66/09/604716609.db2.gz XWMHMXMEGUKUEW-UHFFFAOYSA-N -1 1 367.449 2.493 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(C3CCCC3)no2)c2ccccc12 ZINC000826501131 607712273 /nfs/dbraw/zinc/71/22/73/607712273.db2.gz AQMVOKCOASPRSZ-UHFFFAOYSA-N -1 1 363.381 2.271 20 0 FEADMM Cc1nn(C)c(Oc2ccccc2)c1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833756285 604762115 /nfs/dbraw/zinc/76/21/15/604762115.db2.gz HTOLLAQPALEFTH-QGZVFWFLSA-N -1 1 359.426 2.178 20 0 FEADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000833504250 604766065 /nfs/dbraw/zinc/76/60/65/604766065.db2.gz AOKSDQMXZKENSK-LLVKDONJSA-N -1 1 361.341 2.327 20 0 FEADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000825485278 604771887 /nfs/dbraw/zinc/77/18/87/604771887.db2.gz NWIGATJHSCVHBM-NSHDSACASA-N -1 1 359.348 2.178 20 0 FEADMM Cc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000826281038 607715853 /nfs/dbraw/zinc/71/58/53/607715853.db2.gz ALUCLXKJJPCIMS-UHFFFAOYSA-N -1 1 360.377 2.076 20 0 FEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCN(C(=O)c3ccsc3)CC2)O1 ZINC000833579932 604825870 /nfs/dbraw/zinc/82/58/70/604825870.db2.gz NXRAESMKOHRCNT-CQSZACIVSA-N -1 1 350.440 2.044 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000833417894 604857925 /nfs/dbraw/zinc/85/79/25/604857925.db2.gz ZLYLLCVSZSZXAV-SWLSCSKDSA-N -1 1 362.401 2.280 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000833420527 604863855 /nfs/dbraw/zinc/86/38/55/604863855.db2.gz TVBMKLFPPNSOEN-CQSZACIVSA-N -1 1 365.474 2.412 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000833420549 604864438 /nfs/dbraw/zinc/86/44/38/604864438.db2.gz UNSXNJVULNJQON-ZDUSSCGKSA-N -1 1 351.447 2.021 20 0 FEADMM CC(=O)c1cccc(OCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC000833403312 604866394 /nfs/dbraw/zinc/86/63/94/604866394.db2.gz FPEDQKKBYVIRIA-UHFFFAOYSA-N -1 1 353.334 2.481 20 0 FEADMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833537300 604900156 /nfs/dbraw/zinc/90/01/56/604900156.db2.gz HZHMOJNEHVPHQI-WBMJQRKESA-N -1 1 359.426 2.287 20 0 FEADMM CCc1ccc([C@@]2(CC)NC(=O)N(CN3CCC[C@H]3CC(=O)[O-])C2=O)cc1 ZINC000830237281 604975903 /nfs/dbraw/zinc/97/59/03/604975903.db2.gz INPUTBFYUBFMOL-OXJNMPFZSA-N -1 1 373.453 2.303 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1C(=O)[O-])N1CCCC[C@@H]1C ZINC000833615195 605017376 /nfs/dbraw/zinc/01/73/76/605017376.db2.gz KDPIHWRTAALETR-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])N1CCC[C@H](C)C1 ZINC000833614704 605017531 /nfs/dbraw/zinc/01/75/31/605017531.db2.gz SEQREWGPXHQACQ-NWDGAFQWSA-N -1 1 374.890 2.437 20 0 FEADMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CCN1C ZINC000833595128 605039495 /nfs/dbraw/zinc/03/94/95/605039495.db2.gz CNYKGHDPABENSU-PWSUYJOCSA-N -1 1 360.863 2.141 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000833764918 605076607 /nfs/dbraw/zinc/07/66/07/605076607.db2.gz ZKJGYTMOOZBBSR-HNNXBMFYSA-N -1 1 373.796 2.407 20 0 FEADMM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825570436 605076717 /nfs/dbraw/zinc/07/67/17/605076717.db2.gz JWRZSUQHKMMKPM-PRHODGIISA-N -1 1 353.762 2.199 20 0 FEADMM C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833541621 605108085 /nfs/dbraw/zinc/10/80/85/605108085.db2.gz CTSLJZMQSNXLCS-OLZOCXBDSA-N -1 1 354.834 2.115 20 0 FEADMM CC(C)Oc1ncc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1Cl ZINC000833507678 605108491 /nfs/dbraw/zinc/10/84/91/605108491.db2.gz BFVBKKILMASJIB-GFCCVEGCSA-N -1 1 369.849 2.143 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000833623976 605166087 /nfs/dbraw/zinc/16/60/87/605166087.db2.gz UDXWLRYXKPYNHA-CYBMUJFWSA-N -1 1 350.846 2.379 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833540200 605253481 /nfs/dbraw/zinc/25/34/81/605253481.db2.gz KCANXDSILHOGPT-STQMWFEESA-N -1 1 354.834 2.115 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@H](C)N[C@@H](C)c2cccnc2)cc(C(=O)[O-])c1 ZINC000833713212 605271303 /nfs/dbraw/zinc/27/13/03/605271303.db2.gz ORFHNAZSRSPNEY-RYUDHWBXSA-N -1 1 371.393 2.244 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)n[nH]1 ZINC000830030569 605301691 /nfs/dbraw/zinc/30/16/91/605301691.db2.gz OXRAAXRERGBHOA-WBMJQRKESA-N -1 1 363.462 2.213 20 0 FEADMM O=C([O-])N[C@H]1CCc2ncc(NC(=O)Cc3n[nH]c4ccccc34)cc2C1 ZINC000834191931 605328116 /nfs/dbraw/zinc/32/81/16/605328116.db2.gz LXLWQXMHVXSSEF-LBPRGKRZSA-N -1 1 365.393 2.264 20 0 FEADMM COC(=O)c1ccc(N2CCN(C[C@@H]3CC(C(=O)[O-])=C(C)O3)[C@@H](C)C2)cc1 ZINC000833716223 605330826 /nfs/dbraw/zinc/33/08/26/605330826.db2.gz WIQVXGHPIBPFBY-GUYCJALGSA-N -1 1 374.437 2.131 20 0 FEADMM O=C([O-])NCCCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000834229885 605376679 /nfs/dbraw/zinc/37/66/79/605376679.db2.gz ONTHDVYMUVVCNG-CQSZACIVSA-N -1 1 357.414 2.226 20 0 FEADMM O=C([O-])NCCCC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834229885 605376684 /nfs/dbraw/zinc/37/66/84/605376684.db2.gz ONTHDVYMUVVCNG-CQSZACIVSA-N -1 1 357.414 2.226 20 0 FEADMM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)c1nnc[nH]1 ZINC000833521508 605485094 /nfs/dbraw/zinc/48/50/94/605485094.db2.gz OHWFGGDDBQASGN-RXMQYKEDSA-N -1 1 372.154 2.287 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C)N1CCc2ccccc2C1 ZINC000824930383 605501709 /nfs/dbraw/zinc/50/17/09/605501709.db2.gz MKYWKDQRIGABLA-IIDMSEBBSA-N -1 1 374.485 2.263 20 0 FEADMM O=C([O-])N1CCO[C@@H](CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000833986925 605539351 /nfs/dbraw/zinc/53/93/51/605539351.db2.gz FITQCDRFPROXOB-VIFPVBQESA-N -1 1 354.313 2.208 20 0 FEADMM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000832356362 605540092 /nfs/dbraw/zinc/54/00/92/605540092.db2.gz CCWRZUCRMZNLRV-NWDGAFQWSA-N -1 1 358.402 2.412 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000825816135 605552357 /nfs/dbraw/zinc/55/23/57/605552357.db2.gz HJDDBTIVQQFAAR-WQVCFCJDSA-N -1 1 366.437 2.259 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000827994512 605599476 /nfs/dbraw/zinc/59/94/76/605599476.db2.gz LRNYVWJUAPQENI-KBPBESRZSA-N -1 1 366.487 2.277 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C1 ZINC000833819000 605669919 /nfs/dbraw/zinc/66/99/19/605669919.db2.gz SLEXOOZEVRRXFR-JGGQBBKZSA-N -1 1 366.437 2.116 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CCN1CCC(=O)[O-] ZINC000833623936 605766831 /nfs/dbraw/zinc/76/68/31/605766831.db2.gz SFVIPDXWAXGVHK-CRAIPNDOSA-N -1 1 360.454 2.202 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1C[C@@H](O)c1cccc(Br)c1 ZINC000833835140 605898211 /nfs/dbraw/zinc/89/82/11/605898211.db2.gz UYALNJWPHPYYPX-UHIISALHSA-N -1 1 357.248 2.461 20 0 FEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000834095960 605964365 /nfs/dbraw/zinc/96/43/65/605964365.db2.gz VWXRHKITKUYLAD-XQQFMLRXSA-N -1 1 363.380 2.004 20 0 FEADMM O=C([O-])N1CC[C@H](CCN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000834076592 605983609 /nfs/dbraw/zinc/98/36/09/605983609.db2.gz ZTWOMIOLZQMFTO-FZMZJTMJSA-N -1 1 356.419 2.024 20 0 FEADMM O=C([O-])Nc1ccccc1CC(=O)NCCN1CCc2ccccc2C1 ZINC000834273807 606044809 /nfs/dbraw/zinc/04/48/09/606044809.db2.gz QQNHGFLCLGPNHL-UHFFFAOYSA-N -1 1 353.422 2.494 20 0 FEADMM C[C@H](C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1)C1CCOCC1 ZINC000833792041 606063428 /nfs/dbraw/zinc/06/34/28/606063428.db2.gz YFYNZZSFBHTXQM-NSHDSACASA-N -1 1 373.413 2.241 20 0 FEADMM C[C@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1)C1CCOCC1 ZINC000833792041 606063432 /nfs/dbraw/zinc/06/34/32/606063432.db2.gz YFYNZZSFBHTXQM-NSHDSACASA-N -1 1 373.413 2.241 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C2=Cc3ccccc3OC2)n1 ZINC000819971306 606064054 /nfs/dbraw/zinc/06/40/54/606064054.db2.gz ICSHRJZIEOAUPG-UHFFFAOYSA-N -1 1 365.397 2.233 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C2=Cc3ccccc3OC2)n1 ZINC000819971306 606064058 /nfs/dbraw/zinc/06/40/58/606064058.db2.gz ICSHRJZIEOAUPG-UHFFFAOYSA-N -1 1 365.397 2.233 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823607194 606123845 /nfs/dbraw/zinc/12/38/45/606123845.db2.gz RMCANZSHHBOHFH-QWRGUYRKSA-N -1 1 367.862 2.331 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823607194 606123847 /nfs/dbraw/zinc/12/38/47/606123847.db2.gz RMCANZSHHBOHFH-QWRGUYRKSA-N -1 1 367.862 2.331 20 0 FEADMM CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000820508115 606137138 /nfs/dbraw/zinc/13/71/38/606137138.db2.gz MSECGPSUDZAJEB-JTQLQIEISA-N -1 1 351.432 2.119 20 0 FEADMM CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000820508115 606137140 /nfs/dbraw/zinc/13/71/40/606137140.db2.gz MSECGPSUDZAJEB-JTQLQIEISA-N -1 1 351.432 2.119 20 0 FEADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000821648189 606137860 /nfs/dbraw/zinc/13/78/60/606137860.db2.gz DHMXKCRLJVWJNB-GFCCVEGCSA-N -1 1 362.342 2.138 20 0 FEADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000821648189 606137861 /nfs/dbraw/zinc/13/78/61/606137861.db2.gz DHMXKCRLJVWJNB-GFCCVEGCSA-N -1 1 362.342 2.138 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2csc3ccccc23)n1 ZINC000822619680 606157596 /nfs/dbraw/zinc/15/75/96/606157596.db2.gz FKGIEFHWDGUOKE-UHFFFAOYSA-N -1 1 354.399 2.137 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2csc3ccccc23)n1 ZINC000822619680 606157597 /nfs/dbraw/zinc/15/75/97/606157597.db2.gz FKGIEFHWDGUOKE-UHFFFAOYSA-N -1 1 354.399 2.137 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1ncn(-c2ccccc2)n1 ZINC000559182303 674531634 /nfs/dbraw/zinc/53/16/34/674531634.db2.gz IWZLGJLJKSHQFB-UHFFFAOYSA-N -1 1 364.377 2.165 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3ccccc3F)CC2)n1 ZINC000822609992 606161224 /nfs/dbraw/zinc/16/12/24/606161224.db2.gz YKVJCSJHZPMCNO-UHFFFAOYSA-N -1 1 370.392 2.151 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3ccccc3F)CC2)n1 ZINC000822609992 606161226 /nfs/dbraw/zinc/16/12/26/606161226.db2.gz YKVJCSJHZPMCNO-UHFFFAOYSA-N -1 1 370.392 2.151 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(Sc3ccccc3)CC2)n1 ZINC000822614909 606162066 /nfs/dbraw/zinc/16/20/66/606162066.db2.gz WUNPUEHWELUUFH-UHFFFAOYSA-N -1 1 370.442 2.047 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(Sc3ccccc3)CC2)n1 ZINC000822614909 606162068 /nfs/dbraw/zinc/16/20/68/606162068.db2.gz WUNPUEHWELUUFH-UHFFFAOYSA-N -1 1 370.442 2.047 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccco2)c2ccccc2)n1 ZINC000822609842 606170464 /nfs/dbraw/zinc/17/04/64/606170464.db2.gz WUGVJGXDKFODQW-AWEZNQCLSA-N -1 1 364.369 2.104 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccco2)c2ccccc2)n1 ZINC000822609842 606170466 /nfs/dbraw/zinc/17/04/66/606170466.db2.gz WUGVJGXDKFODQW-AWEZNQCLSA-N -1 1 364.369 2.104 20 0 FEADMM CCCCOCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821072618 606196854 /nfs/dbraw/zinc/19/68/54/606196854.db2.gz UXXCUAKIBVCNAG-UHFFFAOYSA-N -1 1 372.429 2.495 20 0 FEADMM CCCCOCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821072618 606196855 /nfs/dbraw/zinc/19/68/55/606196855.db2.gz UXXCUAKIBVCNAG-UHFFFAOYSA-N -1 1 372.429 2.495 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000822531353 606238619 /nfs/dbraw/zinc/23/86/19/606238619.db2.gz YUZNJXVOYSCKMT-VIFPVBQESA-N -1 1 362.390 2.201 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000822531353 606238621 /nfs/dbraw/zinc/23/86/21/606238621.db2.gz YUZNJXVOYSCKMT-VIFPVBQESA-N -1 1 362.390 2.201 20 0 FEADMM O=C(CCc1nc2ccccc2o1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822986654 606294541 /nfs/dbraw/zinc/29/45/41/606294541.db2.gz JSQQTQZUKQAABM-UHFFFAOYSA-N -1 1 350.338 2.285 20 0 FEADMM Clc1nsc(NCc2cccnc2-n2cccn2)c1-c1nnn[n-]1 ZINC000822589900 606452702 /nfs/dbraw/zinc/45/27/02/606452702.db2.gz CDIKPPJAQSXEOM-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM Clc1nsc(NCc2cccnc2-n2cccn2)c1-c1nn[n-]n1 ZINC000822589900 606452703 /nfs/dbraw/zinc/45/27/03/606452703.db2.gz CDIKPPJAQSXEOM-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCc2sccc2C1 ZINC000820270148 606506443 /nfs/dbraw/zinc/50/64/43/606506443.db2.gz WFZMFLAYONPAEX-JTQLQIEISA-N -1 1 374.495 2.166 20 0 FEADMM O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823373257 606543689 /nfs/dbraw/zinc/54/36/89/606543689.db2.gz UYWHIMFVHLYNEB-UHFFFAOYSA-N -1 1 366.410 2.015 20 0 FEADMM O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823373257 606543691 /nfs/dbraw/zinc/54/36/91/606543691.db2.gz UYWHIMFVHLYNEB-UHFFFAOYSA-N -1 1 366.410 2.015 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000822004674 606552795 /nfs/dbraw/zinc/55/27/95/606552795.db2.gz JZYOGFTXZSXTNH-LBPRGKRZSA-N -1 1 358.446 2.164 20 0 FEADMM COC(=O)c1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000821670170 606619916 /nfs/dbraw/zinc/61/99/16/606619916.db2.gz PYKTXEMOFGYXPL-UHFFFAOYSA-N -1 1 354.351 2.432 20 0 FEADMM COC(=O)c1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000821670170 606619918 /nfs/dbraw/zinc/61/99/18/606619918.db2.gz PYKTXEMOFGYXPL-UHFFFAOYSA-N -1 1 354.351 2.432 20 0 FEADMM COc1cc(OC)cc(OCCCN(C)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000821724027 606634026 /nfs/dbraw/zinc/63/40/26/606634026.db2.gz OJTJTEDGBWCTRU-UHFFFAOYSA-N -1 1 370.413 2.184 20 0 FEADMM COc1cc(OC)cc(OCCCN(C)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000821724027 606634027 /nfs/dbraw/zinc/63/40/27/606634027.db2.gz OJTJTEDGBWCTRU-UHFFFAOYSA-N -1 1 370.413 2.184 20 0 FEADMM Cc1cc(Br)oc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822160817 606651172 /nfs/dbraw/zinc/65/11/72/606651172.db2.gz KWUQXQSYKDGSRL-UHFFFAOYSA-N -1 1 364.159 2.283 20 0 FEADMM Cc1cc(Br)oc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822160817 606651173 /nfs/dbraw/zinc/65/11/73/606651173.db2.gz KWUQXQSYKDGSRL-UHFFFAOYSA-N -1 1 364.159 2.283 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1sccc1OC(F)F ZINC000823440477 606653916 /nfs/dbraw/zinc/65/39/16/606653916.db2.gz VNMLKHLKKIUXOX-UHFFFAOYSA-N -1 1 353.310 2.282 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1sccc1OC(F)F ZINC000823440477 606653917 /nfs/dbraw/zinc/65/39/17/606653917.db2.gz VNMLKHLKKIUXOX-UHFFFAOYSA-N -1 1 353.310 2.282 20 0 FEADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)[nH]n1 ZINC000820187416 606658581 /nfs/dbraw/zinc/65/85/81/606658581.db2.gz ACZVQKLRTSYBGV-UHFFFAOYSA-N -1 1 367.822 2.167 20 0 FEADMM CSCc1cc(F)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821970398 606688485 /nfs/dbraw/zinc/68/84/85/606688485.db2.gz NHTOLMPXWYQKAZ-UHFFFAOYSA-N -1 1 358.402 2.194 20 0 FEADMM CSCc1cc(F)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821970398 606688486 /nfs/dbraw/zinc/68/84/86/606688486.db2.gz NHTOLMPXWYQKAZ-UHFFFAOYSA-N -1 1 358.402 2.194 20 0 FEADMM CC(C)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820067051 606737066 /nfs/dbraw/zinc/73/70/66/606737066.db2.gz BCJUEACWHFCOLY-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820813717 606762728 /nfs/dbraw/zinc/76/27/28/606762728.db2.gz MHJZKRLPXLGLLA-SNVBAGLBSA-N -1 1 359.386 2.146 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000822614868 606772811 /nfs/dbraw/zinc/77/28/11/606772811.db2.gz VRTIITSZBIOWHM-GFCCVEGCSA-N -1 1 368.401 2.024 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000822614868 606772813 /nfs/dbraw/zinc/77/28/13/606772813.db2.gz VRTIITSZBIOWHM-GFCCVEGCSA-N -1 1 368.401 2.024 20 0 FEADMM C[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccncc1 ZINC000820225643 607018397 /nfs/dbraw/zinc/01/83/97/607018397.db2.gz NROPSSVEHXKQAF-NSHDSACASA-N -1 1 354.418 2.346 20 0 FEADMM C[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccncc1 ZINC000820225643 607018398 /nfs/dbraw/zinc/01/83/98/607018398.db2.gz NROPSSVEHXKQAF-NSHDSACASA-N -1 1 354.418 2.346 20 0 FEADMM O=C(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)OCc1ccccc1 ZINC000822969034 607030351 /nfs/dbraw/zinc/03/03/51/607030351.db2.gz GTMMVUACZJFNCC-UHFFFAOYSA-N -1 1 358.789 2.461 20 0 FEADMM O=C(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)OCc1ccccc1 ZINC000822969034 607030353 /nfs/dbraw/zinc/03/03/53/607030353.db2.gz GTMMVUACZJFNCC-UHFFFAOYSA-N -1 1 358.789 2.461 20 0 FEADMM CN(Cc1cccc(OC(F)(F)F)c1)c1nccnc1-c1nnn[n-]1 ZINC000821614461 607118682 /nfs/dbraw/zinc/11/86/82/607118682.db2.gz HJNJJKSXCIJKLQ-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CN(Cc1cccc(OC(F)(F)F)c1)c1nccnc1-c1nn[n-]n1 ZINC000821614461 607118684 /nfs/dbraw/zinc/11/86/84/607118684.db2.gz HJNJJKSXCIJKLQ-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM Clc1ccc(N[C@H]2CCOC3(CCOCC3)C2)nc1-c1nnn[n-]1 ZINC000822578551 607175825 /nfs/dbraw/zinc/17/58/25/607175825.db2.gz KMNOREZCQSFBCV-JTQLQIEISA-N -1 1 350.810 2.055 20 0 FEADMM Clc1ccc(N[C@H]2CCOC3(CCOCC3)C2)nc1-c1nn[n-]n1 ZINC000822578551 607175826 /nfs/dbraw/zinc/17/58/26/607175826.db2.gz KMNOREZCQSFBCV-JTQLQIEISA-N -1 1 350.810 2.055 20 0 FEADMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000826209661 607864311 /nfs/dbraw/zinc/86/43/11/607864311.db2.gz LCTNYJRFXMISRA-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000826209661 607864312 /nfs/dbraw/zinc/86/43/12/607864312.db2.gz LCTNYJRFXMISRA-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM Cn1c(COc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000826355781 607864503 /nfs/dbraw/zinc/86/45/03/607864503.db2.gz NAHJSKJVHOVJKG-UHFFFAOYSA-N -1 1 351.345 2.380 20 0 FEADMM Cn1c(COc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000826355781 607864504 /nfs/dbraw/zinc/86/45/04/607864504.db2.gz NAHJSKJVHOVJKG-UHFFFAOYSA-N -1 1 351.345 2.380 20 0 FEADMM CCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825643388 607867550 /nfs/dbraw/zinc/86/75/50/607867550.db2.gz NMSVCZVGYZEPHZ-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825643388 607867551 /nfs/dbraw/zinc/86/75/51/607867551.db2.gz NMSVCZVGYZEPHZ-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCN(CCO)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825424713 607882117 /nfs/dbraw/zinc/88/21/17/607882117.db2.gz OQDWMJHYTFFDSZ-UHFFFAOYSA-N -1 1 371.372 2.253 20 0 FEADMM CCN(CCO)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825424713 607882118 /nfs/dbraw/zinc/88/21/18/607882118.db2.gz OQDWMJHYTFFDSZ-UHFFFAOYSA-N -1 1 371.372 2.253 20 0 FEADMM Clc1ccc(-n2nnnc2Sc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826351563 607894857 /nfs/dbraw/zinc/89/48/57/607894857.db2.gz RGMWNSCJCFHHMM-UHFFFAOYSA-N -1 1 357.790 2.042 20 0 FEADMM Clc1ccc(-n2nnnc2Sc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826351563 607894858 /nfs/dbraw/zinc/89/48/58/607894858.db2.gz RGMWNSCJCFHHMM-UHFFFAOYSA-N -1 1 357.790 2.042 20 0 FEADMM Cc1sc2nc(Sc3cccc(-c4nnn[n-]4)n3)n(C)c(=O)c2c1C ZINC000826350094 607895004 /nfs/dbraw/zinc/89/50/04/607895004.db2.gz ICYCHNNWRJGIMD-UHFFFAOYSA-N -1 1 371.451 2.338 20 0 FEADMM Cc1sc2nc(Sc3cccc(-c4nn[n-]n4)n3)n(C)c(=O)c2c1C ZINC000826350094 607895005 /nfs/dbraw/zinc/89/50/05/607895005.db2.gz ICYCHNNWRJGIMD-UHFFFAOYSA-N -1 1 371.451 2.338 20 0 FEADMM Cn1ccnc1[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC000826364457 607895819 /nfs/dbraw/zinc/89/58/19/607895819.db2.gz XBSRQPOSDPAYPS-HNNXBMFYSA-N -1 1 350.361 2.336 20 0 FEADMM Cn1ccnc1[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000826364457 607895820 /nfs/dbraw/zinc/89/58/20/607895820.db2.gz XBSRQPOSDPAYPS-HNNXBMFYSA-N -1 1 350.361 2.336 20 0 FEADMM CCC(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1F ZINC000825034432 607960938 /nfs/dbraw/zinc/96/09/38/607960938.db2.gz KHBBVGIBFZTJSI-UHFFFAOYSA-N -1 1 355.329 2.351 20 0 FEADMM CCC(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1F ZINC000825034432 607960939 /nfs/dbraw/zinc/96/09/39/607960939.db2.gz KHBBVGIBFZTJSI-UHFFFAOYSA-N -1 1 355.329 2.351 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1csc(C2CC2)n1 ZINC000826295225 607965698 /nfs/dbraw/zinc/96/56/98/607965698.db2.gz XJXMOHDTTUGUOJ-UHFFFAOYSA-N -1 1 365.422 2.267 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000826131963 608007455 /nfs/dbraw/zinc/00/74/55/608007455.db2.gz AJQDFILUYVYNBW-LLVKDONJSA-N -1 1 369.406 2.235 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000826131963 608007456 /nfs/dbraw/zinc/00/74/56/608007456.db2.gz AJQDFILUYVYNBW-LLVKDONJSA-N -1 1 369.406 2.235 20 0 FEADMM Fc1ccc(OCc2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cc1 ZINC000826375782 608012842 /nfs/dbraw/zinc/01/28/42/608012842.db2.gz BKUWNNYYPKJINX-UHFFFAOYSA-N -1 1 357.374 2.286 20 0 FEADMM Fc1ccc(OCc2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cc1 ZINC000826375782 608012843 /nfs/dbraw/zinc/01/28/43/608012843.db2.gz BKUWNNYYPKJINX-UHFFFAOYSA-N -1 1 357.374 2.286 20 0 FEADMM Oc1cccc([C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)c1 ZINC000826511094 608016476 /nfs/dbraw/zinc/01/64/76/608016476.db2.gz BRBMSSFOBGCNCF-SNVBAGLBSA-N -1 1 364.818 2.260 20 0 FEADMM Oc1cccc([C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)c1 ZINC000826511094 608016477 /nfs/dbraw/zinc/01/64/77/608016477.db2.gz BRBMSSFOBGCNCF-SNVBAGLBSA-N -1 1 364.818 2.260 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1CC[C@H](C)O1 ZINC000826341066 608077008 /nfs/dbraw/zinc/07/70/08/608077008.db2.gz VKLDLIHYHBKUDW-JQWIXIFHSA-N -1 1 357.370 2.283 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1CC[C@H](C)O1 ZINC000826341066 608077009 /nfs/dbraw/zinc/07/70/09/608077009.db2.gz VKLDLIHYHBKUDW-JQWIXIFHSA-N -1 1 357.370 2.283 20 0 FEADMM Cc1oc(NC(=O)CN(C)[C@@H](C)c2ccccn2)c(-c2nn[n-]n2)c1C ZINC000826341368 608087274 /nfs/dbraw/zinc/08/72/74/608087274.db2.gz FZQDKRGSQLSAJT-NSHDSACASA-N -1 1 355.402 2.103 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2cccn2C(C)C)c(-c2nn[n-]n2)c1C ZINC000826342606 608118313 /nfs/dbraw/zinc/11/83/13/608118313.db2.gz SCVAJKLJWRATRE-UHFFFAOYSA-N -1 1 372.385 2.254 20 0 FEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC12CCC2 ZINC000824962083 608155384 /nfs/dbraw/zinc/15/53/84/608155384.db2.gz NXRAGZQHTSYJEH-LLVKDONJSA-N -1 1 365.434 2.207 20 0 FEADMM OC[C@H](Cc1ccc(F)cc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826507561 608305730 /nfs/dbraw/zinc/30/57/30/608305730.db2.gz QUGJNOCHUJGWHU-VIFPVBQESA-N -1 1 354.798 2.131 20 0 FEADMM OC[C@H](Cc1ccc(F)cc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826507561 608305732 /nfs/dbraw/zinc/30/57/32/608305732.db2.gz QUGJNOCHUJGWHU-VIFPVBQESA-N -1 1 354.798 2.131 20 0 FEADMM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000824447944 608306369 /nfs/dbraw/zinc/30/63/69/608306369.db2.gz DWGPTTMDSXCUIS-LBPRGKRZSA-N -1 1 368.445 2.476 20 0 FEADMM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000824447944 608306370 /nfs/dbraw/zinc/30/63/70/608306370.db2.gz DWGPTTMDSXCUIS-LBPRGKRZSA-N -1 1 368.445 2.476 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC[C@@H]1C ZINC000824961688 608341990 /nfs/dbraw/zinc/34/19/90/608341990.db2.gz GIGURBFYDDLVHI-UWVGGRQHSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC[C@@H]1C ZINC000824961688 608341992 /nfs/dbraw/zinc/34/19/92/608341992.db2.gz GIGURBFYDDLVHI-UWVGGRQHSA-N -1 1 355.851 2.187 20 0 FEADMM CCOc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1OCC ZINC000825638274 608388269 /nfs/dbraw/zinc/38/82/69/608388269.db2.gz INTXRFZIMYCWNT-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM CCOc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1OCC ZINC000825638274 608388271 /nfs/dbraw/zinc/38/82/71/608388271.db2.gz INTXRFZIMYCWNT-UHFFFAOYSA-N -1 1 355.402 2.109 20 0 FEADMM CCOc1cc2c(cc1OCC)CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000825620827 608391010 /nfs/dbraw/zinc/39/10/10/608391010.db2.gz JDTREVCGAKOLBC-UHFFFAOYSA-N -1 1 367.413 2.017 20 0 FEADMM CCOc1cc2c(cc1OCC)CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000825620827 608391012 /nfs/dbraw/zinc/39/10/12/608391012.db2.gz JDTREVCGAKOLBC-UHFFFAOYSA-N -1 1 367.413 2.017 20 0 FEADMM Ic1ccccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826379258 608398733 /nfs/dbraw/zinc/39/87/33/608398733.db2.gz NHOWJPHAKPBZSQ-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM Ic1ccccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826379258 608398735 /nfs/dbraw/zinc/39/87/35/608398735.db2.gz NHOWJPHAKPBZSQ-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM c1ccc(COc2cccc(CNc3ccc(-c4nnn[n-]4)nn3)c2)nc1 ZINC000826522119 608399657 /nfs/dbraw/zinc/39/96/57/608399657.db2.gz MQMQRKAGIIWKEA-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM c1ccc(COc2cccc(CNc3ccc(-c4nn[n-]n4)nn3)c2)nc1 ZINC000826522119 608399659 /nfs/dbraw/zinc/39/96/59/608399659.db2.gz MQMQRKAGIIWKEA-UHFFFAOYSA-N -1 1 360.381 2.243 20 0 FEADMM Brc1cccc([C@@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000823832909 608409093 /nfs/dbraw/zinc/40/90/93/608409093.db2.gz YPWDGQNBTXHAOU-CMPLNLGQSA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000823832909 608409094 /nfs/dbraw/zinc/40/90/94/608409094.db2.gz YPWDGQNBTXHAOU-CMPLNLGQSA-N -1 1 358.203 2.387 20 0 FEADMM O=[S@](CCn1ccnc1-c1nnn[n-]1)c1cc(Cl)ccc1Cl ZINC000826496138 608893569 /nfs/dbraw/zinc/89/35/69/608893569.db2.gz MKAQXIABZSWKOQ-JOCHJYFZSA-N -1 1 357.226 2.178 20 0 FEADMM O=[S@](CCn1ccnc1-c1nn[n-]n1)c1cc(Cl)ccc1Cl ZINC000826496138 608893572 /nfs/dbraw/zinc/89/35/72/608893572.db2.gz MKAQXIABZSWKOQ-JOCHJYFZSA-N -1 1 357.226 2.178 20 0 FEADMM Cc1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000826329847 609292939 /nfs/dbraw/zinc/29/29/39/609292939.db2.gz VBZWITMBQYARGO-UHFFFAOYSA-N -1 1 370.373 2.209 20 0 FEADMM O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826459595 609352684 /nfs/dbraw/zinc/35/26/84/609352684.db2.gz QDQHEKCYNTXCNB-UHFFFAOYSA-N -1 1 370.373 2.029 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825499428 609407620 /nfs/dbraw/zinc/40/76/20/609407620.db2.gz MYKSUYILHGPCAT-GHMZBOCLSA-N -1 1 364.427 2.455 20 0 FEADMM O=S(=O)(NC[C@@H]1CCCCS1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490321 609609603 /nfs/dbraw/zinc/60/96/03/609609603.db2.gz QPDGTPBAUCGSAT-VIFPVBQESA-N -1 1 373.891 2.084 20 0 FEADMM O=S(=O)(NC[C@@H]1CCCCS1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490321 609609605 /nfs/dbraw/zinc/60/96/05/609609605.db2.gz QPDGTPBAUCGSAT-VIFPVBQESA-N -1 1 373.891 2.084 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccnc1-2 ZINC000559841334 674558064 /nfs/dbraw/zinc/55/80/64/674558064.db2.gz ZIZHWIFFTRHKGI-UHFFFAOYSA-N -1 1 357.222 2.449 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000559840924 674558102 /nfs/dbraw/zinc/55/81/02/674558102.db2.gz XWPZQUPFTAFZNL-UHFFFAOYSA-N -1 1 365.333 2.255 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1C ZINC000559961846 674561899 /nfs/dbraw/zinc/56/18/99/674561899.db2.gz LBSBCRVCKRWGOD-UHFFFAOYSA-N -1 1 371.846 2.493 20 0 FEADMM O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000811576962 674614775 /nfs/dbraw/zinc/61/47/75/674614775.db2.gz YIGLHWDXQWPXDY-DOMZBBRYSA-N -1 1 364.195 2.379 20 0 FEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc2)o1 ZINC000811684463 674620493 /nfs/dbraw/zinc/62/04/93/674620493.db2.gz KUWZKTMMMSOXIM-UHFFFAOYSA-N -1 1 365.333 2.366 20 0 FEADMM O=C(Cc1ccc(Cl)cn1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274976 674661049 /nfs/dbraw/zinc/66/10/49/674661049.db2.gz NBDDEYROCPIGEB-SNVBAGLBSA-N -1 1 363.767 2.195 20 0 FEADMM COC(=O)C(C)(C)C(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000561456114 674668261 /nfs/dbraw/zinc/66/82/61/674668261.db2.gz WNHIRLRFSBKALF-ZCFIWIBFSA-N -1 1 352.334 2.450 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc2[nH]ccc21 ZINC000561688360 674690421 /nfs/dbraw/zinc/69/04/21/674690421.db2.gz LIHRXZGBHGBEEK-GFCCVEGCSA-N -1 1 352.412 2.265 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000561758484 674696451 /nfs/dbraw/zinc/69/64/51/674696451.db2.gz VORPDTGMFDTJIC-UHFFFAOYSA-N -1 1 359.333 2.424 20 0 FEADMM O=C([N-]OC1CCC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000812788696 674698313 /nfs/dbraw/zinc/69/83/13/674698313.db2.gz WBHBTUDHQIFSKC-JTQLQIEISA-N -1 1 353.216 2.402 20 0 FEADMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1c(C)onc1N ZINC000562018680 674716689 /nfs/dbraw/zinc/71/66/89/674716689.db2.gz VIKKNWYHTLRTJZ-RRFJBIMHSA-N -1 1 365.455 2.195 20 0 FEADMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000562706106 674790522 /nfs/dbraw/zinc/79/05/22/674790522.db2.gz BALUQCHBVIBIDX-UHFFFAOYSA-N -1 1 360.435 2.087 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2nnc(C3CC3)s2)no1 ZINC000562785379 674808992 /nfs/dbraw/zinc/80/89/92/674808992.db2.gz BZOPZGMYEHCACW-UHFFFAOYSA-N -1 1 356.473 2.321 20 0 FEADMM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000815054406 674907805 /nfs/dbraw/zinc/90/78/05/674907805.db2.gz KCUVBCXGPCRVOV-UHFFFAOYSA-N -1 1 374.365 2.089 20 0 FEADMM CNS(=O)(=O)c1cc(NCc2cc3ccccc3[nH]c2=O)ccc1[O-] ZINC000563750643 674935195 /nfs/dbraw/zinc/93/51/95/674935195.db2.gz YLNPMMFUGNBMSL-UHFFFAOYSA-N -1 1 359.407 2.166 20 0 FEADMM C[C@@](O)(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000815502472 674955035 /nfs/dbraw/zinc/95/50/35/674955035.db2.gz QULSJEHPZFACMP-ZDUSSCGKSA-N -1 1 353.724 2.159 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000564261998 674989089 /nfs/dbraw/zinc/98/90/89/674989089.db2.gz SDZBDWWUZJGZPY-UHFFFAOYSA-N -1 1 362.407 2.097 20 0 FEADMM CS(=O)(=O)Cc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000564304038 674992841 /nfs/dbraw/zinc/99/28/41/674992841.db2.gz IOAZALCDQUQUTE-UHFFFAOYSA-N -1 1 355.362 2.145 20 0 FEADMM CCOC(=O)c1ccc(C(=O)Nc2nc(Br)ccc2[O-])nc1 ZINC000816426291 675055114 /nfs/dbraw/zinc/05/51/14/675055114.db2.gz CHBQKKSGCGQRQG-UHFFFAOYSA-N -1 1 366.171 2.374 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)c1ccccc1Br ZINC000564758299 675058793 /nfs/dbraw/zinc/05/87/93/675058793.db2.gz HPADLBKVMHRPSO-UHFFFAOYSA-N -1 1 374.260 2.541 20 0 FEADMM NC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000026232429 670068317 /nfs/dbraw/zinc/06/83/17/670068317.db2.gz NHTFTAWVTRNDTB-UHFFFAOYSA-N -1 1 369.786 2.330 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)cc1OC ZINC000026542150 670071165 /nfs/dbraw/zinc/07/11/65/670071165.db2.gz FJPGBNDSVMCVRC-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389611 670099618 /nfs/dbraw/zinc/09/96/18/670099618.db2.gz CIOSIBUETYZDCN-QMMMGPOBSA-N -1 1 357.292 2.077 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)c1Cl ZINC000030361847 670108710 /nfs/dbraw/zinc/10/87/10/670108710.db2.gz WNFGUEMOXOOSQT-AWEZNQCLSA-N -1 1 368.890 2.016 20 0 FEADMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000031555665 670122573 /nfs/dbraw/zinc/12/25/73/670122573.db2.gz CSRCAWDIKJHQQU-UHFFFAOYSA-N -1 1 365.415 2.324 20 0 FEADMM COc1ccc(-c2nc(C)c(C(=O)[N-]NC(=O)[C@H]3CCCO3)s2)cc1 ZINC000032259614 670127040 /nfs/dbraw/zinc/12/70/40/670127040.db2.gz HRKPEDYKTRLCMG-CYBMUJFWSA-N -1 1 361.423 2.067 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCOc1ccccc1F ZINC000042776061 670168495 /nfs/dbraw/zinc/16/84/95/670168495.db2.gz AXQTUYQDUSHRDQ-UHFFFAOYSA-N -1 1 359.400 2.495 20 0 FEADMM COc1ccc(OCCOC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC000042775489 670168581 /nfs/dbraw/zinc/16/85/81/670168581.db2.gz IILHDEKNRIETLW-UHFFFAOYSA-N -1 1 371.436 2.364 20 0 FEADMM Cc1ncsc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000043287235 670174271 /nfs/dbraw/zinc/17/42/71/670174271.db2.gz KOYLMKHLIJJGBF-UHFFFAOYSA-N -1 1 370.333 2.166 20 0 FEADMM COc1ccc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cn1 ZINC000045074837 670200009 /nfs/dbraw/zinc/20/00/09/670200009.db2.gz SBQAKSODGYGHIC-UHFFFAOYSA-N -1 1 362.440 2.181 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2c(C)cc(C)cc2C)o1 ZINC000046316065 670220741 /nfs/dbraw/zinc/22/07/41/670220741.db2.gz BPCREWQKFSXZPD-UHFFFAOYSA-N -1 1 365.407 2.153 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000565060821 675091409 /nfs/dbraw/zinc/09/14/09/675091409.db2.gz HSZGLAUFNWCXGE-UHFFFAOYSA-N -1 1 372.462 2.329 20 0 FEADMM CC(=O)Nc1ccc(F)c(C(=O)[N-]NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000053112520 670321028 /nfs/dbraw/zinc/32/10/28/670321028.db2.gz NPRFGDDZADPBHO-UHFFFAOYSA-N -1 1 363.776 2.441 20 0 FEADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 ZINC000055631997 670353315 /nfs/dbraw/zinc/35/33/15/670353315.db2.gz IOUWZRTWYOOJHN-UHFFFAOYSA-N -1 1 363.395 2.073 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCCOc2cccc(Cl)c2Cl)n1 ZINC000056908764 670364517 /nfs/dbraw/zinc/36/45/17/670364517.db2.gz SBBTWRFTHNDLLP-UHFFFAOYSA-N -1 1 372.212 2.497 20 0 FEADMM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2[nH]nc3ccccc32)n1 ZINC000058318860 670376874 /nfs/dbraw/zinc/37/68/74/670376874.db2.gz ORXOQKWYWIHIHB-LBPRGKRZSA-N -1 1 354.391 2.290 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1noc(C(C)(C)C)n1 ZINC000062294363 670399953 /nfs/dbraw/zinc/39/99/53/670399953.db2.gz GLQCVKSOLSBPCZ-UHFFFAOYSA-N -1 1 367.427 2.486 20 0 FEADMM COc1ccc(C(=O)NCc2n[n-]c(=S)n2C)cc1Br ZINC000066625433 670445291 /nfs/dbraw/zinc/44/52/91/670445291.db2.gz IMJYFMBDZPTSNR-UHFFFAOYSA-N -1 1 357.233 2.179 20 0 FEADMM CSc1nccn1-c1ccc(C(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066626084 670445335 /nfs/dbraw/zinc/44/53/35/670445335.db2.gz FEPWCGWBZSESOK-UHFFFAOYSA-N -1 1 360.468 2.315 20 0 FEADMM CCC[C@@H](C)N1C[C@@H](C(=O)NCc2n[n-]c(=S)n2C(C)C)CC1=O ZINC000066639663 670445690 /nfs/dbraw/zinc/44/56/90/670445690.db2.gz RICCVBIQRCQFOI-NEPJUHHUSA-N -1 1 353.492 2.175 20 0 FEADMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2n[n-]c(=S)n2C(C)C)C1 ZINC000066639315 670445752 /nfs/dbraw/zinc/44/57/52/670445752.db2.gz OOJAZCOPXWPESB-OLZOCXBDSA-N -1 1 367.519 2.422 20 0 FEADMM CC(C)n1c(CNC(=O)CCNC(=O)C2CCCCC2)n[n-]c1=S ZINC000066640468 670446157 /nfs/dbraw/zinc/44/61/57/670446157.db2.gz USQZFIBBUXHWQR-UHFFFAOYSA-N -1 1 353.492 2.224 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1n[n-]c(=S)n1C ZINC000067050114 670451991 /nfs/dbraw/zinc/45/19/91/670451991.db2.gz DXVSQPZNDJZTRS-UHFFFAOYSA-N -1 1 356.455 2.269 20 0 FEADMM Cc1nn(CC(=O)NCCc2n[n-]c(=S)n2C2CC2)c(C)c1Cl ZINC000067080038 670453241 /nfs/dbraw/zinc/45/32/41/670453241.db2.gz VTNQIHQDUTYLEU-UHFFFAOYSA-N -1 1 354.867 2.101 20 0 FEADMM O=c1nc(NCCc2c[nH]c3cccc(Br)c23)nc2[nH][n-]cc1-2 ZINC000565274340 675107373 /nfs/dbraw/zinc/10/73/73/675107373.db2.gz ASNUYZKOXDPTOQ-UHFFFAOYSA-N -1 1 373.214 2.330 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 ZINC000073998036 670512539 /nfs/dbraw/zinc/51/25/39/670512539.db2.gz QMCBMEBCYRVNEF-UHFFFAOYSA-N -1 1 357.443 2.027 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(F)c1Cn1cccc(C)c1=O ZINC000569144469 670516171 /nfs/dbraw/zinc/51/61/71/670516171.db2.gz DTOZKPYUWMTVGH-CYBMUJFWSA-N -1 1 368.430 2.121 20 0 FEADMM Cc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc1-n1cccn1 ZINC000817243039 675113049 /nfs/dbraw/zinc/11/30/49/675113049.db2.gz AGFGYXCSCPTMQR-UHFFFAOYSA-N -1 1 355.316 2.406 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1C(=O)[O-] ZINC000565366298 675115267 /nfs/dbraw/zinc/11/52/67/675115267.db2.gz CHABTDFSMWRBPL-RFAUZJTJSA-N -1 1 372.874 2.108 20 0 FEADMM CC(C)(C)c1cc(NC(=O)Cc2sc(N)nc2[O-])n(C(C)(C)C)n1 ZINC000079952387 670613137 /nfs/dbraw/zinc/61/31/37/670613137.db2.gz WPBFHVFKCYKBJQ-SECBINFHSA-N -1 1 351.476 2.221 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1SC)OCCO2)C1CC1 ZINC000565480799 675125682 /nfs/dbraw/zinc/12/56/82/675125682.db2.gz JGVHEGUUEBKWBB-AWEZNQCLSA-N -1 1 359.469 2.346 20 0 FEADMM C[C@H](NC(=O)C1CCCCC1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000082985170 670651972 /nfs/dbraw/zinc/65/19/72/670651972.db2.gz VHPDDIFNVCKBNJ-JTQLQIEISA-N -1 1 369.824 2.325 20 0 FEADMM CC(C)C[C@H](C)N(C)C(=O)CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000570359367 670702120 /nfs/dbraw/zinc/70/21/20/670702120.db2.gz AIWOFFZSFSCZIS-ZDUSSCGKSA-N -1 1 364.471 2.138 20 0 FEADMM CC(C)C[C@H](C)N(C)C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000570359367 670702122 /nfs/dbraw/zinc/70/21/22/670702122.db2.gz AIWOFFZSFSCZIS-ZDUSSCGKSA-N -1 1 364.471 2.138 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@@H]1OC ZINC000570465815 670718127 /nfs/dbraw/zinc/71/81/27/670718127.db2.gz QXTPTVBEEHGNLK-MNOVXSKESA-N -1 1 369.409 2.311 20 0 FEADMM Cc1sc(C(=O)[O-])cc1CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000570689302 670753914 /nfs/dbraw/zinc/75/39/14/670753914.db2.gz LDKSOBJQHSWGBJ-UHFFFAOYSA-N -1 1 372.512 2.145 20 0 FEADMM CC(C)(C)OCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490033 675138269 /nfs/dbraw/zinc/13/82/69/675138269.db2.gz KWWCJVXZPAZMSK-LBPRGKRZSA-N -1 1 358.360 2.438 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCCO1)C(F)(F)F ZINC000817490187 675138280 /nfs/dbraw/zinc/13/82/80/675138280.db2.gz OBYTUXMLFDDDAE-TZMCWYRMSA-N -1 1 356.344 2.192 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnn(-c2ccccc2Cl)c1 ZINC000570968328 670794977 /nfs/dbraw/zinc/79/49/77/670794977.db2.gz CFNQCTNBAYIJPP-UHFFFAOYSA-N -1 1 357.805 2.238 20 0 FEADMM O=C(CSCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000565730977 675147355 /nfs/dbraw/zinc/14/73/55/675147355.db2.gz YQHUSJDSUREPOJ-CYBMUJFWSA-N -1 1 361.423 2.097 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c(C(F)(F)F)n1 ZINC000571871530 670934892 /nfs/dbraw/zinc/93/48/92/670934892.db2.gz ZNTWBOHYACIXHK-SECBINFHSA-N -1 1 369.434 2.251 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1nn(C)cc1Br)OCO2 ZINC000572286106 670982993 /nfs/dbraw/zinc/98/29/93/670982993.db2.gz SYKPDEMXNXDQSM-UHFFFAOYSA-N -1 1 374.216 2.021 20 0 FEADMM O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000573716920 671155974 /nfs/dbraw/zinc/15/59/74/671155974.db2.gz LQMGGXMKPCLREB-UHFFFAOYSA-N -1 1 354.815 2.034 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2C(=O)[O-])cn1C ZINC000573740835 671159146 /nfs/dbraw/zinc/15/91/46/671159146.db2.gz CDPAPFPQPWIKNR-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1C(=O)[O-] ZINC000574045030 671196539 /nfs/dbraw/zinc/19/65/39/671196539.db2.gz MFCUKNHYNFGPJP-XHDPSFHLSA-N -1 1 372.874 2.061 20 0 FEADMM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000574750724 671274606 /nfs/dbraw/zinc/27/46/06/671274606.db2.gz YAFQAKLMRHOIJJ-LLVKDONJSA-N -1 1 361.341 2.124 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000574760473 671275409 /nfs/dbraw/zinc/27/54/09/671275409.db2.gz UPZIGTIDCWEQCR-ZETCQYMHSA-N -1 1 372.781 2.356 20 0 FEADMM CCOC(=O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000576868774 671400594 /nfs/dbraw/zinc/40/05/94/671400594.db2.gz OHXUNLASZSQITK-UHFFFAOYSA-N -1 1 370.652 2.085 20 0 FEADMM O=C(NCc1cc2n(n1)CCCO2)c1ccc(Br)c([O-])c1 ZINC000577412145 671594436 /nfs/dbraw/zinc/59/44/36/671594436.db2.gz MEJIXWCEAFOKPK-UHFFFAOYSA-N -1 1 352.188 2.064 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2Br)c(C)c1F ZINC000577450737 671596459 /nfs/dbraw/zinc/59/64/59/671596459.db2.gz RNNSXAYDMJMRSB-UHFFFAOYSA-N -1 1 364.196 2.429 20 0 FEADMM Cc1cnc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)[n-]c1=O ZINC000577963651 671631655 /nfs/dbraw/zinc/63/16/55/671631655.db2.gz JCTPGNBDRYELMF-AWEZNQCLSA-N -1 1 358.467 2.320 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000609494636 675923591 /nfs/dbraw/zinc/92/35/91/675923591.db2.gz MJJMRRKFGKVJAR-QHCPKHFHSA-N -1 1 367.448 2.402 20 0 FEADMM Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000609730273 675934650 /nfs/dbraw/zinc/93/46/50/675934650.db2.gz ALSKKOPDLDONQQ-QFIPXVFZSA-N -1 1 373.477 2.434 20 0 FEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000579236772 671721700 /nfs/dbraw/zinc/72/17/00/671721700.db2.gz JMSQCCOXACDSMF-VHSXEESVSA-N -1 1 361.391 2.232 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c1 ZINC000609910061 675942660 /nfs/dbraw/zinc/94/26/60/675942660.db2.gz HYMZKYMZDTXPMF-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c(F)cc1C ZINC000580551528 671817596 /nfs/dbraw/zinc/81/75/96/671817596.db2.gz QGCORXUTNMTEEH-HNNXBMFYSA-N -1 1 359.419 2.478 20 0 FEADMM CNC(=O)CC1CCN(Cc2cc(Br)ccc2C(=O)[O-])CC1 ZINC000580721037 671827177 /nfs/dbraw/zinc/82/71/77/671827177.db2.gz PTVJQJMPHWCZNR-UHFFFAOYSA-N -1 1 369.259 2.495 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2noc(COC(C)C)n2)sc1C ZINC000581339273 671885899 /nfs/dbraw/zinc/88/58/99/671885899.db2.gz QCANMABIEFCSFK-SECBINFHSA-N -1 1 360.461 2.107 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cccc3c2OC(F)(F)O3)c1 ZINC000581416748 671894427 /nfs/dbraw/zinc/89/44/27/671894427.db2.gz UBQLHNNLJFLLBC-UHFFFAOYSA-N -1 1 371.365 2.266 20 0 FEADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000581488342 671902740 /nfs/dbraw/zinc/90/27/40/671902740.db2.gz CZQVWINQXWLJKL-ZJUUUORDSA-N -1 1 356.325 2.132 20 0 FEADMM CC(C)(CO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000120046448 671915152 /nfs/dbraw/zinc/91/51/52/671915152.db2.gz MBYNIIXCXOWVFU-UHFFFAOYSA-N -1 1 362.451 2.236 20 0 FEADMM CCCCCNC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000581706056 671927300 /nfs/dbraw/zinc/92/73/00/671927300.db2.gz QEQXLVHHTNQHIX-ZDUSSCGKSA-N -1 1 364.471 2.249 20 0 FEADMM CCCCCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000581706056 671927303 /nfs/dbraw/zinc/92/73/03/671927303.db2.gz QEQXLVHHTNQHIX-ZDUSSCGKSA-N -1 1 364.471 2.249 20 0 FEADMM Cc1nc(-c2ccc(CCNC(=O)Cc3sc(N)nc3[O-])cc2)cs1 ZINC000120837227 671936434 /nfs/dbraw/zinc/93/64/34/671936434.db2.gz KSMMLQXFMWTBJL-AWEZNQCLSA-N -1 1 374.491 2.124 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCO1 ZINC000123957078 671988174 /nfs/dbraw/zinc/98/81/74/671988174.db2.gz VAAHTLAKZGIYSY-NSHDSACASA-N -1 1 369.668 2.345 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2O)cc1C(=O)[O-] ZINC000582398691 671998307 /nfs/dbraw/zinc/99/83/07/671998307.db2.gz JAQLMHPCDHUYKC-UHFFFAOYSA-N -1 1 365.363 2.102 20 0 FEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(CCOc2ccccc2Br)C1 ZINC000582612746 672018591 /nfs/dbraw/zinc/01/85/91/672018591.db2.gz XGGLXYHCVDLXNN-VXGBXAGGSA-N -1 1 358.232 2.392 20 0 FEADMM CCc1nc(C(=O)[N-]c2nnc(C3CC3)s2)nn1-c1ccccc1F ZINC000582817183 672036099 /nfs/dbraw/zinc/03/60/99/672036099.db2.gz CLGKYYYWBKEBMH-UHFFFAOYSA-N -1 1 358.402 2.950 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000583413691 672092251 /nfs/dbraw/zinc/09/22/51/672092251.db2.gz QHXGDGVGWZHBBD-UHFFFAOYSA-N -1 1 361.379 2.195 20 0 FEADMM CC(C)CN(C(=O)Cc1sc(N)nc1[O-])[C@@H]1CCCc2cccnc21 ZINC000133785903 672115261 /nfs/dbraw/zinc/11/52/61/672115261.db2.gz SLUAVTSEUZSPGN-ZIAGYGMSSA-N -1 1 360.483 2.290 20 0 FEADMM COCC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000583745811 672122458 /nfs/dbraw/zinc/12/24/58/672122458.db2.gz RDRRXTMBPHKLSM-SECBINFHSA-N -1 1 360.234 2.462 20 0 FEADMM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000583972646 672143496 /nfs/dbraw/zinc/14/34/96/672143496.db2.gz RXYTXVHFWBRODF-KWQFWETISA-N -1 1 354.313 2.206 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCCc2ccccc2Br)n1 ZINC000142107480 672148655 /nfs/dbraw/zinc/14/86/55/672148655.db2.gz KRXSQPXNDIQTKE-UHFFFAOYSA-N -1 1 366.219 2.117 20 0 FEADMM CCc1nc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cs1 ZINC000584438105 672187748 /nfs/dbraw/zinc/18/77/48/672187748.db2.gz KJDJFRFYBPYEBH-UHFFFAOYSA-N -1 1 358.441 2.180 20 0 FEADMM CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1c(O)cccc1Cl ZINC000584664314 672204111 /nfs/dbraw/zinc/20/41/11/672204111.db2.gz BYEYCMMJLIHDFK-CYBMUJFWSA-N -1 1 364.833 2.481 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ncccn2)c1)C1=Cc2ccccc2CC1 ZINC000154533072 672217975 /nfs/dbraw/zinc/21/79/75/672217975.db2.gz POBZSEIKNJQPLF-UHFFFAOYSA-N -1 1 353.407 2.391 20 0 FEADMM O=C([N-]O[C@H]1CCCCO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000157962414 672264501 /nfs/dbraw/zinc/26/45/01/672264501.db2.gz RDXLYUDXHQIWLL-AWEZNQCLSA-N -1 1 367.199 2.479 20 0 FEADMM CCC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OC ZINC000170659084 672323654 /nfs/dbraw/zinc/32/36/54/672323654.db2.gz GUCSOXYNIXFQIW-LBPRGKRZSA-N -1 1 355.243 2.399 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(C)nc3ccccc23)o1 ZINC000174808208 672363633 /nfs/dbraw/zinc/36/36/33/672363633.db2.gz UVFZFJWYAPTBHD-UHFFFAOYSA-N -1 1 360.391 2.401 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000178956312 672397435 /nfs/dbraw/zinc/39/74/35/672397435.db2.gz VXXBESYKWQJUJO-UHFFFAOYSA-N -1 1 353.375 2.240 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)COc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000588006296 672444717 /nfs/dbraw/zinc/44/47/17/672444717.db2.gz BTVUJFOMDRCJBR-UHFFFAOYSA-N -1 1 368.180 2.050 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(Br)cc2F)n[nH]1 ZINC000182748673 672452313 /nfs/dbraw/zinc/45/23/13/672452313.db2.gz OFBPHIHEAPBABR-UHFFFAOYSA-N -1 1 356.155 2.086 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cc1OC ZINC000588630861 672467093 /nfs/dbraw/zinc/46/70/93/672467093.db2.gz ZVBMIGIYCMQQPE-UHFFFAOYSA-N -1 1 368.386 2.051 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OC)c(OC)c2)c(F)c1 ZINC000588671886 672470242 /nfs/dbraw/zinc/47/02/42/672470242.db2.gz FGJMWHAISMQXCJ-UHFFFAOYSA-N -1 1 373.377 2.469 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c(F)c1 ZINC000588680100 672471665 /nfs/dbraw/zinc/47/16/65/672471665.db2.gz PASNXQRAGJCISN-UHFFFAOYSA-N -1 1 357.334 2.181 20 0 FEADMM O=C1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CN1C1CC1 ZINC000679475722 672499550 /nfs/dbraw/zinc/49/95/50/672499550.db2.gz YTLUGMFHVLXYMW-SSDOTTSWSA-N -1 1 369.295 2.344 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)c1 ZINC000589435607 672525800 /nfs/dbraw/zinc/52/58/00/672525800.db2.gz GNIATDAATIOODK-GFCCVEGCSA-N -1 1 364.423 2.469 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1S(N)(=O)=O ZINC000589436197 672525912 /nfs/dbraw/zinc/52/59/12/672525912.db2.gz FVRSNWYBQIKOBD-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2csc(Nc3ccccn3)n2)n1 ZINC000590355457 672574672 /nfs/dbraw/zinc/57/46/72/672574672.db2.gz QXUNTSNZFVBMMO-UHFFFAOYSA-N -1 1 358.383 2.434 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1cccc(I)c1 ZINC000590398233 672578114 /nfs/dbraw/zinc/57/81/14/672578114.db2.gz KPERVQWQIWSWMI-UHFFFAOYSA-N -1 1 373.150 2.046 20 0 FEADMM CC(C)(C)OC(=O)NCC(F)(F)C[N-]S(=O)(=O)c1cccs1 ZINC000188066972 672582815 /nfs/dbraw/zinc/58/28/15/672582815.db2.gz YTLMXWFLCUDJNE-UHFFFAOYSA-N -1 1 356.416 2.186 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cccnc1-n1cccn1 ZINC000188337844 672588792 /nfs/dbraw/zinc/58/87/92/672588792.db2.gz AALFVDHXQHFYDE-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM Cc1cccc2c(=O)n(CCC(=O)Nc3nc(Cl)ccc3[O-])cnc12 ZINC000188361424 672589613 /nfs/dbraw/zinc/58/96/13/672589613.db2.gz CQQVKHOFEOUIOK-UHFFFAOYSA-N -1 1 358.785 2.488 20 0 FEADMM CCC(C)(CC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000681059288 672625708 /nfs/dbraw/zinc/62/57/08/672625708.db2.gz LBNSATRXIBSASD-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CC12CCOCC2 ZINC000681125080 672631504 /nfs/dbraw/zinc/63/15/04/672631504.db2.gz FULBAUWQVCMREZ-ZWNOBZJWSA-N -1 1 365.796 2.015 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H]2COC[C@@H]21 ZINC000590921440 672632706 /nfs/dbraw/zinc/63/27/06/672632706.db2.gz CPGDFPNDAGSHNW-PWSUYJOCSA-N -1 1 373.190 2.248 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)COCc2nc3ccccc3s2)n1 ZINC000591302902 672667723 /nfs/dbraw/zinc/66/77/23/672667723.db2.gz CVEGDFOTHKEJET-UHFFFAOYSA-N -1 1 360.395 2.351 20 0 FEADMM Cc1cccnc1C(=O)N[N-]C(=O)c1cccc(Br)c1F ZINC000192158610 672682885 /nfs/dbraw/zinc/68/28/85/672682885.db2.gz WICUYKXBLMWERD-UHFFFAOYSA-N -1 1 352.163 2.366 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)cc1[N-]S(C)(=O)=O ZINC000681772786 672695612 /nfs/dbraw/zinc/69/56/12/672695612.db2.gz YCTOUKSJGZAVLV-FZMZJTMJSA-N -1 1 353.444 2.473 20 0 FEADMM COc1ccc(NC(=O)C2CCC(OC)CC2)cc1[N-]S(C)(=O)=O ZINC000681965015 672719092 /nfs/dbraw/zinc/71/90/92/672719092.db2.gz SKSUFVQSCYGSHW-UHFFFAOYSA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)CCCCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592009745 672733022 /nfs/dbraw/zinc/73/30/22/672733022.db2.gz IDUJJXQJNDGJRF-UHFFFAOYSA-N -1 1 354.350 2.112 20 0 FEADMM Cn1nccc1[C@@H]([N-]S(=O)(=O)CC1CCCCC1)C(=O)OC(C)(C)C ZINC000592104956 672757891 /nfs/dbraw/zinc/75/78/91/672757891.db2.gz BPSVSQCNCMTBLK-OAHLLOKOSA-N -1 1 371.503 2.303 20 0 FEADMM CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000194573392 672762717 /nfs/dbraw/zinc/76/27/17/672762717.db2.gz MPJKKAOUTQDQHV-SECBINFHSA-N -1 1 356.220 2.135 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000194580057 672763267 /nfs/dbraw/zinc/76/32/67/672763267.db2.gz OJSHTEXPYDPLAM-UHFFFAOYSA-N -1 1 360.717 2.182 20 0 FEADMM O=S(=O)(Cc1cccc(Cl)n1)c1nc(Cc2cccs2)n[n-]1 ZINC000195161346 672777078 /nfs/dbraw/zinc/77/70/78/672777078.db2.gz UZGLRECACXBVAU-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM O=S(=O)(Cc1cccc(Cl)n1)c1n[n-]c(Cc2cccs2)n1 ZINC000195161346 672777084 /nfs/dbraw/zinc/77/70/84/672777084.db2.gz UZGLRECACXBVAU-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM Cc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)c1Br ZINC000682932855 672801154 /nfs/dbraw/zinc/80/11/54/672801154.db2.gz HYXYCQURAQOTEW-SECBINFHSA-N -1 1 352.236 2.455 20 0 FEADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000683698425 672867605 /nfs/dbraw/zinc/86/76/05/672867605.db2.gz TZKYZBFDUIMTRZ-LBPRGKRZSA-N -1 1 357.451 2.034 20 0 FEADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000683698423 672867753 /nfs/dbraw/zinc/86/77/53/672867753.db2.gz TZKYZBFDUIMTRZ-GFCCVEGCSA-N -1 1 357.451 2.034 20 0 FEADMM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859108353 683039300 /nfs/dbraw/zinc/03/93/00/683039300.db2.gz PXYPQZCQVXWRIY-UHFFFAOYSA-N -1 1 369.256 2.324 20 0 FEADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874819 672972848 /nfs/dbraw/zinc/97/28/48/672972848.db2.gz YSDSLSYMBUNLRA-IUCAKERBSA-N -1 1 353.362 2.305 20 0 FEADMM COC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)OC(C)(C)C ZINC000593750409 672987419 /nfs/dbraw/zinc/98/74/19/672987419.db2.gz NLLWHJPENJVEFL-LBPRGKRZSA-N -1 1 371.817 2.439 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)c1ccccc1 ZINC000295663813 673008036 /nfs/dbraw/zinc/00/80/36/673008036.db2.gz INZFPYGQCPFKIO-DLBZAZTESA-N -1 1 363.435 2.208 20 0 FEADMM O=C(NCc1cocn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000593982937 673017710 /nfs/dbraw/zinc/01/77/10/673017710.db2.gz GHZHWFAOARZBIO-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](C)SC)c1F ZINC000594457781 673075501 /nfs/dbraw/zinc/07/55/01/673075501.db2.gz OZNBYXXSWYVWPY-ZETCQYMHSA-N -1 1 355.840 2.296 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2csc(N3CCCC3)n2)sc1C ZINC000332998336 673092493 /nfs/dbraw/zinc/09/24/93/673092493.db2.gz AXFGAGGMYRRCML-UHFFFAOYSA-N -1 1 372.541 2.338 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)o1 ZINC000594490933 673093074 /nfs/dbraw/zinc/09/30/74/673093074.db2.gz KZHUWHDMZXFPQU-LBPRGKRZSA-N -1 1 357.428 2.226 20 0 FEADMM COC(=O)N1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000726624065 673132424 /nfs/dbraw/zinc/13/24/24/673132424.db2.gz CDYINLQBGMAFPT-JTQLQIEISA-N -1 1 357.204 2.115 20 0 FEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000594861979 673168893 /nfs/dbraw/zinc/16/88/93/673168893.db2.gz HNGPRDWEWOMTEA-JTQLQIEISA-N -1 1 374.253 2.080 20 0 FEADMM CC(C)(C)OC(=O)CN1CC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1=O ZINC000594894231 673176595 /nfs/dbraw/zinc/17/65/95/673176595.db2.gz IRNWEXBTWGUETG-GFCCVEGCSA-N -1 1 365.455 2.094 20 0 FEADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000727849437 673184321 /nfs/dbraw/zinc/18/43/21/673184321.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)OC)cc2)cc1 ZINC000729246989 673229416 /nfs/dbraw/zinc/22/94/16/673229416.db2.gz DFNNFPIMACIJPW-UHFFFAOYSA-N -1 1 350.396 2.129 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1 ZINC000595369204 673234923 /nfs/dbraw/zinc/23/49/23/673234923.db2.gz CYCVELHDVDOGOR-UHFFFAOYSA-N -1 1 352.437 2.140 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)c(C)c2)o1 ZINC000462473858 673252602 /nfs/dbraw/zinc/25/26/02/673252602.db2.gz JRZMZDZPIOOCCI-UHFFFAOYSA-N -1 1 356.831 2.122 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(Cl)c2)o1 ZINC000462698220 673276320 /nfs/dbraw/zinc/27/63/20/673276320.db2.gz BYLZHAUESOMHHD-JTQLQIEISA-N -1 1 373.814 2.465 20 0 FEADMM Cc1cc(C(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)c(C)[nH]1 ZINC000730603652 673285395 /nfs/dbraw/zinc/28/53/95/673285395.db2.gz AVCAZBUSCFCCLI-UHFFFAOYSA-N -1 1 356.425 2.104 20 0 FEADMM COc1cc(NC(=O)CCC2CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000463114882 673298477 /nfs/dbraw/zinc/29/84/77/673298477.db2.gz 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CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSCc1cccnc1 ZINC000539154360 673476853 /nfs/dbraw/zinc/47/68/53/673476853.db2.gz LRJZZYJUIAZGHB-UHFFFAOYSA-N -1 1 369.443 2.464 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)cc1 ZINC000539192963 673478259 /nfs/dbraw/zinc/47/82/59/673478259.db2.gz DUWMYHGZWTYWTF-UHFFFAOYSA-N -1 1 366.414 2.475 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2CCC[C@H]2OC)cc1[N-]S(C)(=O)=O ZINC000539258123 673481095 /nfs/dbraw/zinc/48/10/95/673481095.db2.gz LZDZFOLRCYLFLJ-SMDDNHRTSA-N -1 1 371.459 2.003 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539324689 673484111 /nfs/dbraw/zinc/48/41/11/673484111.db2.gz BQPFEAFAAWIILX-LLVKDONJSA-N -1 1 355.320 2.161 20 0 FEADMM CCC[C@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000736430065 673525350 /nfs/dbraw/zinc/52/53/50/673525350.db2.gz XRHPJWYIUCIPSR-NSHDSACASA-N -1 1 354.455 2.241 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)o1 ZINC000737087075 673550001 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FEADMM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599321185 673658452 /nfs/dbraw/zinc/65/84/52/673658452.db2.gz IAYCYNZFBDLYTA-SECBINFHSA-N -1 1 373.381 2.007 20 0 FEADMM COC(=O)CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740921230 673661491 /nfs/dbraw/zinc/66/14/91/673661491.db2.gz FIWLNFLXSBKEMC-UHFFFAOYSA-N -1 1 352.387 2.422 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C)cn2)o1 ZINC000599410895 673671817 /nfs/dbraw/zinc/67/18/17/673671817.db2.gz UTPZOHRJIVSXCP-UHFFFAOYSA-N -1 1 352.412 2.026 20 0 FEADMM COc1cc2[n-]cc(C(=O)NCCCCSC)c(=O)c2c(OC)c1 ZINC000599534485 673689082 /nfs/dbraw/zinc/68/90/82/673689082.db2.gz ZWYHLPCUYDPUBU-UHFFFAOYSA-N -1 1 350.440 2.418 20 0 FEADMM Cc1ccc(-c2nc(NC(=O)c3cc(=O)n4[n-]cnc4n3)sc2C)s1 ZINC000544736616 673729942 /nfs/dbraw/zinc/72/99/42/673729942.db2.gz AOERHIMUJHDTLT-UHFFFAOYSA-N -1 1 372.435 2.472 20 0 FEADMM CS[C@H]1CC[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000742737381 673736011 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CCCC(=O)N1CSC[C@H]1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744978208 673820386 /nfs/dbraw/zinc/82/03/86/673820386.db2.gz SKAJEBXGXRUODQ-HNNXBMFYSA-N -1 1 365.451 2.382 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cscn3)no2)o1 ZINC000547008867 673830978 /nfs/dbraw/zinc/83/09/78/673830978.db2.gz PKDINXHSWWWYLM-UHFFFAOYSA-N -1 1 368.440 2.454 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2cc3ccccc3o2)CCSCC1 ZINC000547643098 673877888 /nfs/dbraw/zinc/87/78/88/673877888.db2.gz YVHUEQNIACKHSL-UHFFFAOYSA-N -1 1 355.437 2.150 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F ZINC000548473950 673961514 /nfs/dbraw/zinc/96/15/14/673961514.db2.gz ROUCOQDWYDHGEE-NSHDSACASA-N -1 1 352.334 2.194 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000615223068 676207608 /nfs/dbraw/zinc/20/76/08/676207608.db2.gz XSNGYNFYLDVRFK-MRVPVSSYSA-N -1 1 355.320 2.285 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)c1 ZINC000566753394 675239974 /nfs/dbraw/zinc/23/99/74/675239974.db2.gz WTONDEUOYLPHOI-UHFFFAOYSA-N -1 1 362.386 2.297 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)c1 ZINC000566753394 675239975 /nfs/dbraw/zinc/23/99/75/675239975.db2.gz WTONDEUOYLPHOI-UHFFFAOYSA-N -1 1 362.386 2.297 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@H](C3CCC3)C2)c(=O)[n-]1 ZINC000566842545 675246802 /nfs/dbraw/zinc/24/68/02/675246802.db2.gz RMONADPINNORSH-AWEZNQCLSA-N -1 1 351.472 2.173 20 0 FEADMM C[C@@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)n1cccn1 ZINC000819533167 675296870 /nfs/dbraw/zinc/29/68/70/675296870.db2.gz FOZGDRBZJKOABS-MNXVOIDGSA-N -1 1 360.380 2.138 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1(F)F ZINC000567529847 675300274 /nfs/dbraw/zinc/30/02/74/675300274.db2.gz LRKDGYBYNYXJSZ-JTQLQIEISA-N -1 1 364.414 2.474 20 0 FEADMM Cc1sc(N2CCN(CCCOCC(F)(F)F)CC2)nc1C(=O)[O-] ZINC000567980436 675340741 /nfs/dbraw/zinc/34/07/41/675340741.db2.gz ANJIUCUODDUTDX-UHFFFAOYSA-N -1 1 367.393 2.241 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000820782166 675387367 /nfs/dbraw/zinc/38/73/67/675387367.db2.gz YBIMPJJVZDQGSL-LBPRGKRZSA-N -1 1 364.489 2.459 20 0 FEADMM CSc1cc2c(cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1)OCCO2 ZINC000568686800 675392185 /nfs/dbraw/zinc/39/21/85/675392185.db2.gz BEHPDXNDZNPTPC-NSHDSACASA-N -1 1 359.469 2.491 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)N2CCCCCC2)c1 ZINC000821357663 675429693 /nfs/dbraw/zinc/42/96/93/675429693.db2.gz ACNKYRSOWDIRJX-HWRSSNJWSA-N -1 1 367.467 2.137 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F)C1CCCC1 ZINC000656912604 677864876 /nfs/dbraw/zinc/86/48/76/677864876.db2.gz DBTPFILHIUNRNG-LSDHHAIUSA-N -1 1 363.426 2.123 20 0 FEADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccc(C(F)(F)F)nc1Cl ZINC000823160856 675533273 /nfs/dbraw/zinc/53/32/73/675533273.db2.gz LKHBQHJGODAXLW-SSDOTTSWSA-N -1 1 362.743 2.467 20 0 FEADMM O=C(OC1CCN(CC(F)(F)F)CC1)c1sccc1-c1nn[n-]n1 ZINC000823391771 675549957 /nfs/dbraw/zinc/54/99/57/675549957.db2.gz DSWHSGHYIYQYIS-UHFFFAOYSA-N -1 1 361.349 2.112 20 0 FEADMM C[C@H]1CC2(CN1Cc1n[nH]c(=O)[n-]1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823650366 675565282 /nfs/dbraw/zinc/56/52/82/675565282.db2.gz ZULVFQHFSAICBR-LBPRGKRZSA-N -1 1 351.451 2.122 20 0 FEADMM O=C([N-]c1cnsn1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000823867361 675575140 /nfs/dbraw/zinc/57/51/40/675575140.db2.gz JONDCLMZQJYUNT-UHFFFAOYSA-N -1 1 358.470 2.027 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1(CO)CC1 ZINC000657101386 677945335 /nfs/dbraw/zinc/94/53/35/677945335.db2.gz ZXUPNBAIPOLEEO-SSDOTTSWSA-N -1 1 370.215 2.167 20 0 FEADMM Cc1noc([C@@H]2OCC[C@@H]2[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)n1 ZINC000825072372 675635602 /nfs/dbraw/zinc/63/56/02/675635602.db2.gz QDQFPXLWEAKLKR-NWDGAFQWSA-N -1 1 359.279 2.394 20 0 FEADMM Cc1nc(CNc2snc(Cl)c2-c2nnn[n-]2)ccc1[C@H](C)O ZINC000826326458 675686127 /nfs/dbraw/zinc/68/61/27/675686127.db2.gz QCEYOLACDVHMCU-ZETCQYMHSA-N -1 1 351.823 2.345 20 0 FEADMM Cc1nc(CNc2snc(Cl)c2-c2nn[n-]n2)ccc1[C@H](C)O ZINC000826326458 675686129 /nfs/dbraw/zinc/68/61/29/675686129.db2.gz QCEYOLACDVHMCU-ZETCQYMHSA-N -1 1 351.823 2.345 20 0 FEADMM Cc1onc(CC(=O)NC[C@@H](C)Sc2ccccc2)c1-c1nnn[n-]1 ZINC000826346651 675686777 /nfs/dbraw/zinc/68/67/77/675686777.db2.gz RVLYSJCUVXNNPO-SNVBAGLBSA-N -1 1 358.427 2.003 20 0 FEADMM Cc1onc(CC(=O)NC[C@@H](C)Sc2ccccc2)c1-c1nn[n-]n1 ZINC000826346651 675686778 /nfs/dbraw/zinc/68/67/78/675686778.db2.gz RVLYSJCUVXNNPO-SNVBAGLBSA-N -1 1 358.427 2.003 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000826472611 675688950 /nfs/dbraw/zinc/68/89/50/675688950.db2.gz QAOYAFIWOHMJDE-CYBMUJFWSA-N -1 1 355.423 2.012 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000826472611 675688952 /nfs/dbraw/zinc/68/89/52/675688952.db2.gz QAOYAFIWOHMJDE-CYBMUJFWSA-N -1 1 355.423 2.012 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CSC[C@@H]3C2)o1 ZINC000827179745 675737166 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CCOC1CC(CNC(=O)c2c([O-])cccc2Cl)(N2CCOCC2)C1 ZINC000769455580 680983768 /nfs/dbraw/zinc/98/37/68/680983768.db2.gz CNLYOCOTTXPEOV-UHFFFAOYSA-N -1 1 368.861 2.045 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c(=O)[nH]c1=O ZINC000769620014 680989141 /nfs/dbraw/zinc/98/91/41/680989141.db2.gz JEDGMIOIWGBIQZ-KBPBESRZSA-N -1 1 371.503 2.386 20 0 FEADMM O=C(C=Cc1cccnc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000769657301 680990496 /nfs/dbraw/zinc/99/04/96/680990496.db2.gz LZDFNEGSRJXAPF-OMVNSRBRSA-N -1 1 358.764 2.306 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000769748551 680993633 /nfs/dbraw/zinc/99/36/33/680993633.db2.gz YADPCQZFYSSIAY-OAHLLOKOSA-N -1 1 361.829 2.334 20 0 FEADMM Cc1cn(-c2ccccc2)nc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000770618239 681022102 /nfs/dbraw/zinc/02/21/02/681022102.db2.gz FZTOXAUTHAPXLU-UHFFFAOYSA-N -1 1 355.316 2.406 20 0 FEADMM CC(C)Cn1nccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000843876084 681023249 /nfs/dbraw/zinc/02/32/49/681023249.db2.gz HXIWJHDLCWVUJV-UHFFFAOYSA-N -1 1 360.380 2.070 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(N3CCOC3=O)c2)sc1C ZINC000771935687 681074745 /nfs/dbraw/zinc/07/47/45/681074745.db2.gz SDCFIKCRVRNSBD-UHFFFAOYSA-N -1 1 367.452 2.195 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)sc1C ZINC000771937575 681075030 /nfs/dbraw/zinc/07/50/30/681075030.db2.gz GKAFJZANFPJTJJ-UHFFFAOYSA-N -1 1 364.452 2.212 20 0 FEADMM Cc1ccn2c(=O)cc(CSCCC[N-]C(=O)C(F)(F)F)nc2c1 ZINC000774680257 681219657 /nfs/dbraw/zinc/21/96/57/681219657.db2.gz PBXOVYFAOMMBID-UHFFFAOYSA-N -1 1 359.373 2.305 20 0 FEADMM COCC1(C(=O)[O-])CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000846285847 681219882 /nfs/dbraw/zinc/21/98/82/681219882.db2.gz HNMHJSCRUCHOFC-AWEZNQCLSA-N -1 1 372.259 2.296 20 0 FEADMM CC(=O)c1cccc(O[C@H](C)C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774932043 681252394 /nfs/dbraw/zinc/25/23/94/681252394.db2.gz DVFANACPLDZAKN-LLVKDONJSA-N -1 1 361.316 2.268 20 0 FEADMM O=C([N-]OC1CCCCC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000774954404 681256412 /nfs/dbraw/zinc/25/64/12/681256412.db2.gz IXUQBDPAFVHCEG-OAHLLOKOSA-N -1 1 365.499 2.382 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c([O-])c1 ZINC000846561185 681259803 /nfs/dbraw/zinc/25/98/03/681259803.db2.gz PAZCLZDFYTTYBL-YYWUGTDISA-N -1 1 366.439 2.085 20 0 FEADMM COc1ccc2c(c1)OC[C@@H]2CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774991632 681263896 /nfs/dbraw/zinc/26/38/96/681263896.db2.gz IFWFHBLAPCQDBZ-JTQLQIEISA-N -1 1 361.316 2.173 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000847343302 681366115 /nfs/dbraw/zinc/36/61/15/681366115.db2.gz SXTFNONRLZLHDJ-GRYCIOLGSA-N -1 1 365.396 2.185 20 0 FEADMM Cc1nc2cc(F)ccc2cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562714 681406151 /nfs/dbraw/zinc/40/61/51/681406151.db2.gz FREXZJCBNIBOQJ-AWEZNQCLSA-N -1 1 358.402 2.126 20 0 FEADMM Cc1cccc2c(CCC(=O)N3CCSC[C@H]3c3nn[n-]n3)c[nH]c21 ZINC000776563211 681406455 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C[C@@]1(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)CC1(F)F ZINC000848270389 681505549 /nfs/dbraw/zinc/50/55/49/681505549.db2.gz WDOUWUUGEAGWGT-LBPRGKRZSA-N -1 1 359.126 2.122 20 0 FEADMM CCOC(=O)C(C)(C)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848339934 681523051 /nfs/dbraw/zinc/52/30/51/681523051.db2.gz TWVHNIXSCRYAID-GHMZBOCLSA-N -1 1 366.380 2.024 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC[C@@H]1CCCCO1 ZINC000848341562 681524591 /nfs/dbraw/zinc/52/45/91/681524591.db2.gz IVTWGMKQYVZABS-FRRDWIJNSA-N -1 1 350.381 2.394 20 0 FEADMM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000777911038 681542976 /nfs/dbraw/zinc/54/29/76/681542976.db2.gz FFWLDJLSPPYRIE-UHFFFAOYSA-N -1 1 360.391 2.343 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cn1nc2ccccn2c1=S ZINC000848501630 681562273 /nfs/dbraw/zinc/56/22/73/681562273.db2.gz LDWLMCMVCOIMAY-GHMZBOCLSA-N -1 1 373.404 2.354 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000848502467 681562695 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COC(=O)[C@]1([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)CCSC1 ZINC000935116148 681691940 /nfs/dbraw/zinc/69/19/40/681691940.db2.gz SUYGBJQWIZFBHK-ZDUSSCGKSA-N -1 1 364.801 2.300 20 0 FEADMM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000849378375 681703113 /nfs/dbraw/zinc/70/31/13/681703113.db2.gz FNKYCRGKNHKGNI-HOTGVXAUSA-N -1 1 361.504 2.233 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C(OC)OC ZINC000849405302 681716378 /nfs/dbraw/zinc/71/63/78/681716378.db2.gz GBNRKRGCVSISON-QMMMGPOBSA-N -1 1 358.279 2.186 20 0 FEADMM c1ccc(Cn2c(SCc3nn[n-]n3)nnc2-c2ccncc2)cc1 ZINC000913396428 685476249 /nfs/dbraw/zinc/47/62/49/685476249.db2.gz JPMPPONNAZDJDN-UHFFFAOYSA-N -1 1 350.411 2.194 20 0 FEADMM O=C(c1ccc(-c2cccc(F)c2)s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493567 685478594 /nfs/dbraw/zinc/47/85/94/685478594.db2.gz BWXKVMNEAYSCIH-GFCCVEGCSA-N -1 1 359.386 2.281 20 0 FEADMM CCc1cc2c(CC(=O)N3CCOC[C@@H]3c3nn[n-]n3)csc2s1 ZINC000913493716 685478617 /nfs/dbraw/zinc/47/86/17/685478617.db2.gz 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ZINC000907271378 691437635 /nfs/dbraw/zinc/43/76/35/691437635.db2.gz UNJZQTYHYNPCMP-UHFFFAOYSA-N -1 1 363.187 2.412 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C1CCOCC1 ZINC000907456095 691487194 /nfs/dbraw/zinc/48/71/94/691487194.db2.gz ABKMRDMOGSASEF-QHCPKHFHSA-N -1 1 374.528 2.431 20 0 FEADMM CC1(C)CC[C@H](CC[N-]S(=O)(=O)c2nc[nH]c2Br)OC1 ZINC000907458944 691488259 /nfs/dbraw/zinc/48/82/59/691488259.db2.gz BPNVIRKPYCXYFL-SECBINFHSA-N -1 1 366.281 2.046 20 0 FEADMM O=C(CCc1ccc(C(F)F)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907470905 691491395 /nfs/dbraw/zinc/49/13/95/691491395.db2.gz FCKKIVHNWASXHN-LBPRGKRZSA-N -1 1 353.398 2.387 20 0 FEADMM O=C(Cc1coc2cc(Cl)ccc12)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473168 691492800 /nfs/dbraw/zinc/49/28/00/691492800.db2.gz QKVVVDUUSORFJO-LBPRGKRZSA-N -1 1 363.830 2.459 20 0 FEADMM CCC(=CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc(OC)cc1 ZINC000907475519 691494537 /nfs/dbraw/zinc/49/45/37/691494537.db2.gz OKEMZGUMTQBUHB-PABFRNLHSA-N -1 1 359.455 2.318 20 0 FEADMM Cc1c(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cnn1C1CCCCC1 ZINC000907480089 691496960 /nfs/dbraw/zinc/49/69/60/691496960.db2.gz PBWBTDYSSJSBBW-CQSZACIVSA-N -1 1 361.475 2.140 20 0 FEADMM O=C(CCCc1c(F)cccc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480260 691497043 /nfs/dbraw/zinc/49/70/43/691497043.db2.gz ODPGFFSSKKSYIA-ZDUSSCGKSA-N -1 1 353.398 2.117 20 0 FEADMM O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907482569 691498402 /nfs/dbraw/zinc/49/84/02/691498402.db2.gz QQWSEYQSFIBOEV-ARFHVFGLSA-N -1 1 357.483 2.475 20 0 FEADMM O=C(c1cc(Cl)cc2ccccc21)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907940037 691587318 /nfs/dbraw/zinc/58/73/18/691587318.db2.gz IFURJPPHHUUNJZ-UHFFFAOYSA-N -1 1 357.801 2.130 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C)c2)[n-]c1=O ZINC000908015244 691598435 /nfs/dbraw/zinc/59/84/35/691598435.db2.gz AINZXFVCGUCNCA-ZDUSSCGKSA-N -1 1 367.402 2.164 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 ZINC000908016957 691598699 /nfs/dbraw/zinc/59/86/99/691598699.db2.gz PKELLYHPRLOLKU-OBJOEFQTSA-N -1 1 352.381 2.124 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)CCCC(C)(F)F)[n-]c1=O ZINC000908018554 691599779 /nfs/dbraw/zinc/59/97/79/691599779.db2.gz JQSFMRBUCRRQPM-JTQLQIEISA-N -1 1 365.402 2.093 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)C12CCCCC2 ZINC000908831355 691737235 /nfs/dbraw/zinc/73/72/35/691737235.db2.gz IOYPQCVQNMHCEC-ARFHVFGLSA-N -1 1 352.475 2.027 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)ccc1F ZINC000908983491 691761416 /nfs/dbraw/zinc/76/14/16/691761416.db2.gz COYMRENUEWJCOE-UHFFFAOYSA-N -1 1 351.422 2.426 20 0 FEADMM C[C@H](C(=O)[O-])N(C(=O)NCc1ccc(F)c(CN(C)C)c1)C1CCC1 ZINC000908989483 691762660 /nfs/dbraw/zinc/76/26/60/691762660.db2.gz ZVRYICJWYVAHTD-GFCCVEGCSA-N -1 1 351.422 2.425 20 0 FEADMM C[C@@H](CN1CCOCC1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909229918 691797585 /nfs/dbraw/zinc/79/75/85/691797585.db2.gz NLFDNDODDOYEIG-AWEZNQCLSA-N -1 1 366.483 2.301 20 0 FEADMM O=C([O-])[C@@]1(NC(=O)c2n[nH]c3ccc(Br)cc32)CCSC1 ZINC000909352398 691811003 /nfs/dbraw/zinc/81/10/03/691811003.db2.gz PFMRRQKAEAFWCB-CYBMUJFWSA-N -1 1 370.228 2.016 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000909704307 691847101 /nfs/dbraw/zinc/84/71/01/691847101.db2.gz SWERVDAHGULXHB-SNVBAGLBSA-N -1 1 359.279 2.474 20 0 FEADMM CS(=O)(=O)N1CC[C@@H](COC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000909860328 691865871 /nfs/dbraw/zinc/86/58/71/691865871.db2.gz QOVCYXCTLKSREH-MRVPVSSYSA-N -1 1 368.238 2.137 20 0 FEADMM CCN(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br)C1CC1 ZINC000909955479 691876659 /nfs/dbraw/zinc/87/66/59/691876659.db2.gz RKIFBMNOGPGFHH-CQSZACIVSA-N -1 1 355.232 2.175 20 0 FEADMM C[C@@]1(C(=O)[O-])CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCO1 ZINC000910327342 691916823 /nfs/dbraw/zinc/91/68/23/691916823.db2.gz IIONQONQSDXFME-AWEZNQCLSA-N -1 1 355.803 2.107 20 0 FEADMM COc1cccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)N(C)C)c1 ZINC000780357722 939109238 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CCc1nnc([N-]C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)s1 ZINC000015963244 539625763 /nfs/dbraw/zinc/62/57/63/539625763.db2.gz ODDVAQWNUYXBJI-UHFFFAOYSA-N -1 1 361.452 2.379 20 0 FEADMM CCNc1nnc(SCC(=O)[N-]C(=O)c2ccc(OC)cc2)s1 ZINC000018663014 539649095 /nfs/dbraw/zinc/64/90/95/539649095.db2.gz WRWPMEBEQWORKX-UHFFFAOYSA-N -1 1 352.441 2.027 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc(NC(C)=O)cc2)c(=O)[n-]1 ZINC000025556694 539763017 /nfs/dbraw/zinc/76/30/17/539763017.db2.gz YTEVALBCRRPCEB-UHFFFAOYSA-N -1 1 374.466 2.420 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2ncoc2C2CC2)s1 ZINC000549926174 674072749 /nfs/dbraw/zinc/07/27/49/674072749.db2.gz ICYJKESXIWVRDU-UHFFFAOYSA-N -1 1 354.413 2.311 20 0 FEADMM COc1cc(NC(=O)COc2cccc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000029968022 539870794 /nfs/dbraw/zinc/87/07/94/539870794.db2.gz LNROABQUGSBTIY-UHFFFAOYSA-N -1 1 364.423 2.393 20 0 FEADMM COCCNC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000030016015 539873434 /nfs/dbraw/zinc/87/34/34/539873434.db2.gz 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FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)c1 ZINC000050530930 540407033 /nfs/dbraw/zinc/40/70/33/540407033.db2.gz IBEONJRBSQVJOC-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000051266188 540428421 /nfs/dbraw/zinc/42/84/21/540428421.db2.gz XCBBZXOBSWRSQL-UHFFFAOYSA-N -1 1 362.333 2.258 20 0 FEADMM COc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)cc1[N-]S(C)(=O)=O ZINC000052281134 540461254 /nfs/dbraw/zinc/46/12/54/540461254.db2.gz LBMSXRPOHRWHDJ-UHFFFAOYSA-N -1 1 366.443 2.271 20 0 FEADMM CCN(CC)C(=O)CN1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000052407444 540465111 /nfs/dbraw/zinc/46/51/11/540465111.db2.gz UURLUVWMEGJDOV-UHFFFAOYSA-N -1 1 367.877 2.062 20 0 FEADMM NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000053756912 540552283 /nfs/dbraw/zinc/55/22/83/540552283.db2.gz DFSMJGIIIYSQGK-ZDUSSCGKSA-N -1 1 373.261 2.368 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCc1cccc(F)c1 ZINC000054363185 540585312 /nfs/dbraw/zinc/58/53/12/540585312.db2.gz HKJUASDZYWOVLM-UHFFFAOYSA-N -1 1 366.396 2.181 20 0 FEADMM CCc1nc(CC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cs1 ZINC000055193561 540634616 /nfs/dbraw/zinc/63/46/16/540634616.db2.gz JUMJGEUJBRHSGJ-UHFFFAOYSA-N -1 1 369.468 2.267 20 0 FEADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000055595002 540662239 /nfs/dbraw/zinc/66/22/39/540662239.db2.gz PMAXCJWGLKXKEO-UHFFFAOYSA-N -1 1 374.422 2.314 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000055576843 540660829 /nfs/dbraw/zinc/66/08/29/540660829.db2.gz GUMZCPOQTHBZPG-UHFFFAOYSA-N -1 1 354.378 2.444 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000055615343 540663995 /nfs/dbraw/zinc/66/39/95/540663995.db2.gz NBNOAZHUSYNLNU-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000056062120 540697930 /nfs/dbraw/zinc/69/79/30/540697930.db2.gz XLKNDGBSZJHUOU-UHFFFAOYSA-N -1 1 360.426 2.280 20 0 FEADMM COc1cc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc(OC)c1OC ZINC000056063852 540698754 /nfs/dbraw/zinc/69/87/54/540698754.db2.gz QIVUHVPZHSUZRF-VIFPVBQESA-N -1 1 370.427 2.357 20 0 FEADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c(OC)c1OC ZINC000056105240 540702976 /nfs/dbraw/zinc/70/29/76/540702976.db2.gz FROOWLZUYORGMG-UHFFFAOYSA-N -1 1 373.377 2.469 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)c1 ZINC000062930632 541155000 /nfs/dbraw/zinc/15/50/00/541155000.db2.gz WLKNUZPXSUSURY-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)C1=Cc2cccc(OCC)c2OC1 ZINC000541271635 541178976 /nfs/dbraw/zinc/17/89/76/541178976.db2.gz YHTOYYSNHCLEEM-UHFFFAOYSA-N -1 1 371.393 2.410 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2o1 ZINC000065068850 541225333 /nfs/dbraw/zinc/22/53/33/541225333.db2.gz SYKSBNJDKBKKPZ-UHFFFAOYSA-N -1 1 372.406 2.127 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C(N)=O ZINC000066587200 541342027 /nfs/dbraw/zinc/34/20/27/541342027.db2.gz JVJZRDKUHZNXKH-UHFFFAOYSA-N -1 1 362.407 2.056 20 0 FEADMM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640471 541352887 /nfs/dbraw/zinc/35/28/87/541352887.db2.gz KGIYOERLPFWNHG-AWEZNQCLSA-N -1 1 359.455 2.116 20 0 FEADMM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639019 541353019 /nfs/dbraw/zinc/35/30/19/541353019.db2.gz DJGWCJMYWIUGTM-JTQLQIEISA-N -1 1 357.480 2.441 20 0 FEADMM CN(C)c1nc2sc(C(=O)NCc3n[n-]c(=S)n3C)cc2s1 ZINC000066625572 541349866 /nfs/dbraw/zinc/34/98/66/541349866.db2.gz COGPAZDCZXWIJN-UHFFFAOYSA-N -1 1 354.486 2.145 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccc3c(c2)NC(=O)CS3)n[n-]c1=S ZINC000066650023 541355885 /nfs/dbraw/zinc/35/58/85/541355885.db2.gz RWLMLGOLANVLSW-UHFFFAOYSA-N -1 1 363.468 2.496 20 0 FEADMM Cn1c(CCNC(=O)COc2ccc(C(F)(F)F)cc2)n[n-]c1=S ZINC000067051734 541410595 /nfs/dbraw/zinc/41/05/95/541410595.db2.gz RZICTAZOQCMZNL-UHFFFAOYSA-N -1 1 360.361 2.234 20 0 FEADMM CCn1c(CCNC(=O)CSc2ccc(OC)cc2)n[n-]c1=S ZINC000067075563 541414581 /nfs/dbraw/zinc/41/45/81/541414581.db2.gz FHHGTZIIZSQANE-UHFFFAOYSA-N -1 1 352.485 2.420 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1S(N)(=O)=O ZINC000067124656 541420656 /nfs/dbraw/zinc/42/06/56/541420656.db2.gz WJCARTKVMXIPHO-UHFFFAOYSA-N -1 1 372.443 2.145 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(C)=O)c2)o1 ZINC000067936776 541530181 /nfs/dbraw/zinc/53/01/81/541530181.db2.gz ARAYMRCOPMWNMD-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068075251 541544252 /nfs/dbraw/zinc/54/42/52/541544252.db2.gz OKNSDAAFBDLYDH-UHFFFAOYSA-N -1 1 358.419 2.410 20 0 FEADMM O=S(=O)([N-]c1ccccc1Cn1cncn1)c1ccc2c(c1)COC2 ZINC000068076131 541544768 /nfs/dbraw/zinc/54/47/68/541544768.db2.gz GRBSMELVUYCJQH-UHFFFAOYSA-N -1 1 356.407 2.157 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H](OC)c2ccc(Cl)cc2)o1 ZINC000801226543 674111301 /nfs/dbraw/zinc/11/13/01/674111301.db2.gz QZUNLRVBEQUXHG-ZDUSSCGKSA-N -1 1 373.814 2.386 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC000069163495 541664936 /nfs/dbraw/zinc/66/49/36/541664936.db2.gz JIHKVHNJMHFDHB-LBPRGKRZSA-N -1 1 351.399 2.352 20 0 FEADMM O=C1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2N1 ZINC000071081803 541762770 /nfs/dbraw/zinc/76/27/70/541762770.db2.gz BNXDUUYZMYQALI-UHFFFAOYSA-N -1 1 360.391 2.143 20 0 FEADMM C[C@@H](COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])CS(C)(=O)=O ZINC000801358235 674123989 /nfs/dbraw/zinc/12/39/89/674123989.db2.gz IPDLITKSPWISRO-JTQLQIEISA-N -1 1 372.830 2.069 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)no1 ZINC000551139802 674126291 /nfs/dbraw/zinc/12/62/91/674126291.db2.gz HMCKGMDTENBHGL-CYBMUJFWSA-N -1 1 374.409 2.403 20 0 FEADMM O=C(Cn1ccnc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000072955357 541897056 /nfs/dbraw/zinc/89/70/56/541897056.db2.gz QXXBSFTVFCOHGF-UHFFFAOYSA-N -1 1 356.407 2.323 20 0 FEADMM CCO[C@H](CCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000074291088 542065369 /nfs/dbraw/zinc/06/53/69/542065369.db2.gz MYAPDNVWXGEUMU-QGZVFWFLSA-N -1 1 372.469 2.250 20 0 FEADMM CC[C@@](C)(O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075226019 542161258 /nfs/dbraw/zinc/16/12/58/542161258.db2.gz MSHQLLJLSVCDHQ-GOSISDBHSA-N -1 1 362.451 2.378 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC2(C1)CCOCC2 ZINC000075343558 542171565 /nfs/dbraw/zinc/17/15/65/542171565.db2.gz HAKCUKUOFZRWPE-UHFFFAOYSA-N -1 1 358.442 2.013 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c1C ZINC000075632546 542193981 /nfs/dbraw/zinc/19/39/81/542193981.db2.gz RMWICNHWYGDHSJ-UHFFFAOYSA-N -1 1 362.451 2.344 20 0 FEADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1cc(Cl)ccc1F ZINC000551562254 674151398 /nfs/dbraw/zinc/15/13/98/674151398.db2.gz YTGDGDFZZVFBMK-UHFFFAOYSA-N -1 1 359.688 2.359 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000081943225 542681054 /nfs/dbraw/zinc/68/10/54/542681054.db2.gz UUPQOPVVYRLKFF-CQSZACIVSA-N -1 1 371.437 2.062 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cn1ncc2ccccc21 ZINC000091161087 542795833 /nfs/dbraw/zinc/79/58/33/542795833.db2.gz UYCJHFFGKLHGGC-UHFFFAOYSA-N -1 1 362.386 2.186 20 0 FEADMM O=C(Cc1cccs1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000092625198 542876753 /nfs/dbraw/zinc/87/67/53/542876753.db2.gz ILZNAUJLBJCMJZ-UHFFFAOYSA-N -1 1 352.437 2.076 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCO)cc2)o1 ZINC000102499996 543072143 /nfs/dbraw/zinc/07/21/43/543072143.db2.gz KREJMKJRDYYDET-UHFFFAOYSA-N -1 1 366.439 2.144 20 0 FEADMM CC(=O)Nc1cccc(OCC[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000104744226 543141230 /nfs/dbraw/zinc/14/12/30/543141230.db2.gz MTFAIGLAGHOVRE-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCOC1 ZINC000106848556 543250192 /nfs/dbraw/zinc/25/01/92/543250192.db2.gz UXWHYTUVQCNGFG-MRXNPFEDSA-N -1 1 360.435 2.348 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)o1 ZINC000107700799 543276277 /nfs/dbraw/zinc/27/62/77/543276277.db2.gz NAOYIBDTALSCSO-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592747 543296356 /nfs/dbraw/zinc/29/63/56/543296356.db2.gz GBNREURKQXBUAG-GFCCVEGCSA-N -1 1 370.519 2.395 20 0 FEADMM CSCc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000109245554 543318894 /nfs/dbraw/zinc/31/88/94/543318894.db2.gz RPHPEPRJQMLGMZ-UHFFFAOYSA-N -1 1 361.452 2.326 20 0 FEADMM COc1ccc(Cn2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cn2)cc1 ZINC000109260109 543319379 /nfs/dbraw/zinc/31/93/79/543319379.db2.gz IHJFBJNJIZTUPE-UHFFFAOYSA-N -1 1 366.303 2.329 20 0 FEADMM O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111668207 543411216 /nfs/dbraw/zinc/41/12/16/543411216.db2.gz FLKMQCAUCNHXGR-UHFFFAOYSA-N -1 1 372.805 2.492 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(C3CCOCC3)no2)o1 ZINC000113748918 543495848 /nfs/dbraw/zinc/49/58/48/543495848.db2.gz PFGWTDKFRNADED-UHFFFAOYSA-N -1 1 355.416 2.300 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000114412421 543513995 /nfs/dbraw/zinc/51/39/95/543513995.db2.gz JGHJYILNNZSSOR-CABCVRRESA-N -1 1 354.385 2.198 20 0 FEADMM Cc1cc(Cl)ccc1OCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114413402 543514679 /nfs/dbraw/zinc/51/46/79/543514679.db2.gz CFEVCLPAFCUBTO-UHFFFAOYSA-N -1 1 374.828 2.296 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)o1 ZINC000115473825 543569898 /nfs/dbraw/zinc/56/98/98/543569898.db2.gz OGBZTVJJGQJRKH-CYBMUJFWSA-N -1 1 366.464 2.118 20 0 FEADMM C[C@H](NC(=O)c1ccco1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000115495269 543570272 /nfs/dbraw/zinc/57/02/72/543570272.db2.gz FFQJSLGFMLOIKB-ZDUSSCGKSA-N -1 1 370.405 2.225 20 0 FEADMM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1ccc(Br)cc1[O-] ZINC000552007254 674181283 /nfs/dbraw/zinc/18/12/83/674181283.db2.gz RPJMHDVMUSPBCU-GXFFZTMASA-N -1 1 360.248 2.043 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nncn2Cc2ccccc2)c1 ZINC000117990334 543643292 /nfs/dbraw/zinc/64/32/92/543643292.db2.gz JKQCPXIXRLUCAJ-UHFFFAOYSA-N -1 1 351.366 2.243 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)[nH]n1 ZINC000119446381 543667780 /nfs/dbraw/zinc/66/77/80/543667780.db2.gz SQNZJROQEXKLBF-UHFFFAOYSA-N -1 1 364.409 2.340 20 0 FEADMM Cc1cc(C(=O)N2C[C@@H](C)Cc3ccccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000120299288 543678322 /nfs/dbraw/zinc/67/83/22/543678322.db2.gz RRDWRVRRRPTXJR-JTQLQIEISA-N -1 1 350.378 2.171 20 0 FEADMM Cc1cc(C(=O)N2C[C@@H](C)Cc3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000120299288 543678326 /nfs/dbraw/zinc/67/83/26/543678326.db2.gz RRDWRVRRRPTXJR-JTQLQIEISA-N -1 1 350.378 2.171 20 0 FEADMM Cc1nc2ccccc2n1CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000122749525 543721463 /nfs/dbraw/zinc/72/14/63/543721463.db2.gz ZDEJZKXBOLSMPA-UHFFFAOYSA-N -1 1 361.405 2.401 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1nn[n-]n1 ZINC000124027886 543797470 /nfs/dbraw/zinc/79/74/70/543797470.db2.gz GZBWSJADGDFMTR-NSHDSACASA-N -1 1 369.429 2.423 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000125457865 543882672 /nfs/dbraw/zinc/88/26/72/543882672.db2.gz YAUZPZZADZXXGQ-SNPRPXQTSA-N -1 1 359.470 2.453 20 0 FEADMM C[N@@H+]1CCN(CCCNC(=O)c2c(O)cccc2O)[C@H](c2ccccc2)C1 ZINC000125652565 543893711 /nfs/dbraw/zinc/89/37/11/543893711.db2.gz VKWGKZQXNJMYLA-KRWDZBQOSA-N -1 1 369.465 2.206 20 0 FEADMM C[N@H+]1CCN(CCCNC(=O)c2c(O)cccc2O)[C@H](c2ccccc2)C1 ZINC000125652565 543893713 /nfs/dbraw/zinc/89/37/13/543893713.db2.gz VKWGKZQXNJMYLA-KRWDZBQOSA-N -1 1 369.465 2.206 20 0 FEADMM C[C@@H](O)C[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000127191487 543977628 /nfs/dbraw/zinc/97/76/28/543977628.db2.gz BTYLHOPLBFDFIH-UKRRQHHQSA-N -1 1 351.406 2.208 20 0 FEADMM O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)c1n[n-]c(C2CC2)n1 ZINC000127220467 543979078 /nfs/dbraw/zinc/97/90/78/543979078.db2.gz KGVPOCPKKGGYPL-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000126542498 543942189 /nfs/dbraw/zinc/94/21/89/543942189.db2.gz BJFOWDWRSSEMGT-SSDOTTSWSA-N -1 1 372.299 2.137 20 0 FEADMM C[C@@H](O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127409100 543991289 /nfs/dbraw/zinc/99/12/89/543991289.db2.gz PRPLUQRXXKLULM-CXAGYDPISA-N -1 1 356.422 2.037 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc(F)c(F)c3)[nH]c21 ZINC000128638574 544064539 /nfs/dbraw/zinc/06/45/39/544064539.db2.gz QYXXFXWXXBFWIJ-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H](O)Cc1ccccc1 ZINC000129226091 544098556 /nfs/dbraw/zinc/09/85/56/544098556.db2.gz JYMIODNRPVETGF-GXFFZTMASA-N -1 1 359.369 2.374 20 0 FEADMM O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129340081 544106176 /nfs/dbraw/zinc/10/61/76/544106176.db2.gz SDWFNIHXKOKYMH-LLVKDONJSA-N -1 1 355.320 2.047 20 0 FEADMM C[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000129507732 544116311 /nfs/dbraw/zinc/11/63/11/544116311.db2.gz QGJBSJWNPXAFRK-ZYHUDNBSSA-N -1 1 364.247 2.472 20 0 FEADMM Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129527643 544116808 /nfs/dbraw/zinc/11/68/08/544116808.db2.gz JLNCHUCBPHJYHZ-LLVKDONJSA-N -1 1 358.427 2.173 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1Cc1ccccn1 ZINC000129486151 544115151 /nfs/dbraw/zinc/11/51/51/544115151.db2.gz SKJSJHJOZODHBA-HNNXBMFYSA-N -1 1 365.441 2.081 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000097543550 222189707 /nfs/dbraw/zinc/18/97/07/222189707.db2.gz FSULWKQXPFDHEC-UHFFFAOYSA-N -1 1 374.340 2.437 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)O)cc2)c1C ZINC000098075762 222226171 /nfs/dbraw/zinc/22/61/71/222226171.db2.gz XYIHQAVXOOOSBD-CYBMUJFWSA-N -1 1 362.451 2.215 20 0 FEADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000131686363 544201820 /nfs/dbraw/zinc/20/18/20/544201820.db2.gz QHOCTJZVAQAHRZ-SNVBAGLBSA-N -1 1 368.842 2.445 20 0 FEADMM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000132820530 544244911 /nfs/dbraw/zinc/24/49/11/544244911.db2.gz BECUUSGKBZHPQF-MWLCHTKSSA-N -1 1 354.291 2.340 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135482036 544348901 /nfs/dbraw/zinc/34/89/01/544348901.db2.gz IKFKRBSZISKNAE-OAHLLOKOSA-N -1 1 371.437 2.295 20 0 FEADMM CC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)nc1C ZINC000135570341 544353909 /nfs/dbraw/zinc/35/39/09/544353909.db2.gz ITMBPBKUCXWNHH-UHFFFAOYSA-N -1 1 356.426 2.212 20 0 FEADMM CCC(=O)[C@H]1CCCCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000136004575 544364643 /nfs/dbraw/zinc/36/46/43/544364643.db2.gz YUQUPOOGRYIIKW-MRXNPFEDSA-N -1 1 368.437 2.043 20 0 FEADMM COCc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)o1 ZINC000137446974 544389791 /nfs/dbraw/zinc/38/97/91/544389791.db2.gz FDYZGBZWMPQMLT-AWEZNQCLSA-N -1 1 356.382 2.391 20 0 FEADMM CCC[C@H](NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)c1nn[n-]n1 ZINC000136716227 544377427 /nfs/dbraw/zinc/37/74/27/544377427.db2.gz LCHWPDDNXSFLMV-ZDUSSCGKSA-N -1 1 373.392 2.287 20 0 FEADMM COCCOCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000143768612 544424337 /nfs/dbraw/zinc/42/43/37/544424337.db2.gz HDEQBNVUHIACJT-UHFFFAOYSA-N -1 1 370.862 2.040 20 0 FEADMM COc1cc(C(=O)[N-]c2cc(F)c(F)cc2F)sc1S(N)(=O)=O ZINC000151561244 544556745 /nfs/dbraw/zinc/55/67/45/544556745.db2.gz KFXLECZVZCURPH-UHFFFAOYSA-N -1 1 366.342 2.074 20 0 FEADMM Cc1cc(C(=O)Nc2cccc(Cl)c2N(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151670459 544567852 /nfs/dbraw/zinc/56/78/52/544567852.db2.gz SIEMTBQEZDLFCK-UHFFFAOYSA-N -1 1 373.800 2.304 20 0 FEADMM Cc1nc2nc(S(=O)(=O)CCOC(C)C)[n-]c2cc1Br ZINC000152062758 544610981 /nfs/dbraw/zinc/61/09/81/544610981.db2.gz VMXWRWGXSSGGRM-UHFFFAOYSA-N -1 1 362.249 2.228 20 0 FEADMM Cc1[n-]c2nc(S(=O)(=O)CCOC(C)C)nc-2cc1Br ZINC000152062758 544610988 /nfs/dbraw/zinc/61/09/88/544610988.db2.gz VMXWRWGXSSGGRM-UHFFFAOYSA-N -1 1 362.249 2.228 20 0 FEADMM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1nnc[n-]1 ZINC000153023054 544724328 /nfs/dbraw/zinc/72/43/28/544724328.db2.gz DGLOBWUXVIQJMN-ZETCQYMHSA-N -1 1 373.316 2.408 20 0 FEADMM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1ncn[n-]1 ZINC000153023054 544724330 /nfs/dbraw/zinc/72/43/30/544724330.db2.gz DGLOBWUXVIQJMN-ZETCQYMHSA-N -1 1 373.316 2.408 20 0 FEADMM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1nc[n-]n1 ZINC000153023054 544724333 /nfs/dbraw/zinc/72/43/33/544724333.db2.gz DGLOBWUXVIQJMN-ZETCQYMHSA-N -1 1 373.316 2.408 20 0 FEADMM C[C@H](O)CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000153062240 544729252 /nfs/dbraw/zinc/72/92/52/544729252.db2.gz AQWZMYISSMVFCP-JTQLQIEISA-N -1 1 364.348 2.423 20 0 FEADMM CC[C@@](C)(NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1nc(C)cs1 ZINC000153373651 544767562 /nfs/dbraw/zinc/76/75/62/544767562.db2.gz SLGDAABDASQQFI-CQSZACIVSA-N -1 1 357.457 2.008 20 0 FEADMM CCC[C@H](NC(=O)Cc1cc(Br)ccc1F)c1nn[n-]n1 ZINC000153927270 544841042 /nfs/dbraw/zinc/84/10/42/544841042.db2.gz MGCUEKHVSRACSQ-NSHDSACASA-N -1 1 356.199 2.301 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2NC(C)C)co1 ZINC000154580562 544923995 /nfs/dbraw/zinc/92/39/95/544923995.db2.gz WSZKOQQXRZXKRL-UHFFFAOYSA-N -1 1 355.391 2.399 20 0 FEADMM CC(C)(CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000182440949 327775637 /nfs/dbraw/zinc/77/56/37/327775637.db2.gz BBAFBEBVOSDXLA-UHFFFAOYSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)cc(C(=O)[O-])c1F ZINC000184965658 327892300 /nfs/dbraw/zinc/89/23/00/327892300.db2.gz VRJJSKVWHYXCKO-CYBMUJFWSA-N -1 1 372.462 2.231 20 0 FEADMM O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000186862645 327987120 /nfs/dbraw/zinc/98/71/20/327987120.db2.gz XEWXZJGMHGNAPR-MGPLVRAMSA-N -1 1 369.343 2.137 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(S(N)(=O)=O)c1 ZINC000187208122 328008903 /nfs/dbraw/zinc/00/89/03/328008903.db2.gz SVXJKFUMDAHTKG-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CCc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1ccc(Cl)cc1 ZINC000187305461 328015209 /nfs/dbraw/zinc/01/52/09/328015209.db2.gz DGAVGQCMLXBHCH-LLVKDONJSA-N -1 1 373.848 2.477 20 0 FEADMM COC[C@@H](C)n1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000187533502 328032098 /nfs/dbraw/zinc/03/20/98/328032098.db2.gz QJFRQNPFXUAMKT-LLVKDONJSA-N -1 1 372.429 2.027 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)c1nn[n-]n1 ZINC000188321586 328080536 /nfs/dbraw/zinc/08/05/36/328080536.db2.gz KCGSIEVLAJDDQN-LBPRGKRZSA-N -1 1 352.236 2.471 20 0 FEADMM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(I)ccc1[O-] ZINC000189911114 328175534 /nfs/dbraw/zinc/17/55/34/328175534.db2.gz SRPRWGQFHYILSY-IRUJWGPZSA-N -1 1 373.190 2.294 20 0 FEADMM CC[C@](C)(CCO)NC(=O)c1cc(I)ccc1[O-] ZINC000190054199 328184914 /nfs/dbraw/zinc/18/49/14/328184914.db2.gz YPBDGQJRCOBCMU-CYBMUJFWSA-N -1 1 363.195 2.278 20 0 FEADMM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191878668 328286367 /nfs/dbraw/zinc/28/63/67/328286367.db2.gz OJESQQVKWYIMJE-MRVPVSSYSA-N -1 1 355.218 2.080 20 0 FEADMM O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)N1 ZINC000192658703 328331257 /nfs/dbraw/zinc/33/12/57/328331257.db2.gz VWBNIZFCYZSPAP-KRWDZBQOSA-N -1 1 360.414 2.123 20 0 FEADMM CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)ccc1C ZINC000192882785 328344775 /nfs/dbraw/zinc/34/47/75/328344775.db2.gz LCVZFJGLDGQXFF-UHFFFAOYSA-N -1 1 374.422 2.447 20 0 FEADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ncccc1[O-])CC3 ZINC000194660419 328434716 /nfs/dbraw/zinc/43/47/16/328434716.db2.gz CAGFHJUZHBHPBF-UHFFFAOYSA-N -1 1 351.362 2.254 20 0 FEADMM Cc1cc(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)no1 ZINC000003867223 324345445 /nfs/dbraw/zinc/34/54/45/324345445.db2.gz MQCDMKPRDLZTMQ-UHFFFAOYSA-N -1 1 350.400 2.091 20 0 FEADMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000031555664 324468570 /nfs/dbraw/zinc/46/85/70/324468570.db2.gz BNWQKLAQCWHURO-UHFFFAOYSA-N -1 1 365.415 2.324 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4ncon4)c3)ccc2N1 ZINC000195449997 328477933 /nfs/dbraw/zinc/47/79/33/328477933.db2.gz VVIDDFRJJODEPF-UHFFFAOYSA-N -1 1 356.363 2.032 20 0 FEADMM COc1ccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1F ZINC000195472411 328479342 /nfs/dbraw/zinc/47/93/42/328479342.db2.gz YDTADHKRMCYCRR-UHFFFAOYSA-N -1 1 372.400 2.448 20 0 FEADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000078502196 325048491 /nfs/dbraw/zinc/04/84/91/325048491.db2.gz PSZIIRVXZKWIHG-GXFFZTMASA-N -1 1 359.455 2.045 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000079465899 325092525 /nfs/dbraw/zinc/09/25/25/325092525.db2.gz IDPAAJQUZBWVKG-UHFFFAOYSA-N -1 1 360.377 2.198 20 0 FEADMM CCNC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000081543439 325182692 /nfs/dbraw/zinc/18/26/92/325182692.db2.gz SQIUUOAADPTKFR-UHFFFAOYSA-N -1 1 370.453 2.056 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)o1 ZINC000089354104 325313314 /nfs/dbraw/zinc/31/33/14/325313314.db2.gz QZAXZAMOCFGDKL-ZIAGYGMSSA-N -1 1 372.487 2.291 20 0 FEADMM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]OCC(N)=O)cc1 ZINC000089465058 325317258 /nfs/dbraw/zinc/31/72/58/325317258.db2.gz QWFMIUWLLIJFKR-UHFFFAOYSA-N -1 1 367.405 2.309 20 0 FEADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000108639029 325647289 /nfs/dbraw/zinc/64/72/89/325647289.db2.gz KSWINVUCPZLLFR-UHFFFAOYSA-N -1 1 368.418 2.383 20 0 FEADMM O=C(NCc1ncc[nH]1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000114336388 325883516 /nfs/dbraw/zinc/88/35/16/325883516.db2.gz ODGQNVVPARVCJU-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4c[nH]nc4c3)cc21 ZINC000115311833 325949660 /nfs/dbraw/zinc/94/96/60/325949660.db2.gz PXVJNKDCRDCPLS-UHFFFAOYSA-N -1 1 356.407 2.273 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)c1 ZINC000117740476 326068890 /nfs/dbraw/zinc/06/88/90/326068890.db2.gz NCLRAQANOVHBCC-UHFFFAOYSA-N -1 1 368.480 2.153 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(Oc3ccccc3)CC1)c2=O ZINC000119182500 326135276 /nfs/dbraw/zinc/13/52/76/326135276.db2.gz YNVDNTGVDSFUFP-UHFFFAOYSA-N -1 1 352.394 2.358 20 0 FEADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000119285996 326145646 /nfs/dbraw/zinc/14/56/46/326145646.db2.gz LPBVBRFJMNSARQ-MEDUHNTESA-N -1 1 370.384 2.415 20 0 FEADMM Cc1ccc(OC2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)nc1 ZINC000119480605 326167393 /nfs/dbraw/zinc/16/73/93/326167393.db2.gz SBZKZGBUERJVFP-UHFFFAOYSA-N -1 1 367.409 2.061 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(OCc2ccccn2)cc1)c1nn[n-]n1 ZINC000119618369 326181280 /nfs/dbraw/zinc/18/12/80/326181280.db2.gz XVUDVKKMRPOGQD-KRWDZBQOSA-N -1 1 366.425 2.374 20 0 FEADMM O=C(CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)NC1CC1 ZINC000119991134 326219543 /nfs/dbraw/zinc/21/95/43/326219543.db2.gz MVIZFZXMEXHJNZ-UHFFFAOYSA-N -1 1 357.284 2.392 20 0 FEADMM O=C(Cc1csc(-c2cccs2)n1)Nc1nc(SCCO)n[nH]1 ZINC000120684562 326278866 /nfs/dbraw/zinc/27/88/66/326278866.db2.gz PBVRJVLGHDZYOH-UHFFFAOYSA-N -1 1 367.481 2.255 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000120815782 326290902 /nfs/dbraw/zinc/29/09/02/326290902.db2.gz HQBWNVIMOLQREF-GXTWGEPZSA-N -1 1 372.375 2.338 20 0 FEADMM CSC[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000121186874 326320421 /nfs/dbraw/zinc/32/04/21/326320421.db2.gz PPMIQJOBLHVBHQ-LURJTMIESA-N -1 1 350.314 2.447 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)ccc1F ZINC000121365767 326332591 /nfs/dbraw/zinc/33/25/91/326332591.db2.gz HYCWOHZUXHIMSJ-UHFFFAOYSA-N -1 1 365.430 2.475 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OCC(C)C)cc2)co1 ZINC000121462492 326340663 /nfs/dbraw/zinc/34/06/63/326340663.db2.gz BNAZOWHSMDCFCH-UHFFFAOYSA-N -1 1 366.439 2.153 20 0 FEADMM Cc1cnn(Cc2cc(C(=O)[N-]c3nnc(-c4ccccn4)s3)no2)c1 ZINC000121899934 326374854 /nfs/dbraw/zinc/37/48/54/326374854.db2.gz DCYFKZXQHXJGOD-UHFFFAOYSA-N -1 1 367.394 2.394 20 0 FEADMM O=C(CNC(=O)c1ccc(Br)c([O-])c1)NC1CCCCC1 ZINC000125889324 326479650 /nfs/dbraw/zinc/47/96/50/326479650.db2.gz WHPXLKFQNFFLFE-UHFFFAOYSA-N -1 1 355.232 2.333 20 0 FEADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000126088708 326483021 /nfs/dbraw/zinc/48/30/21/326483021.db2.gz GAGBYTRTJAAKFP-KBPBESRZSA-N -1 1 370.453 2.080 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000131378609 326573671 /nfs/dbraw/zinc/57/36/71/326573671.db2.gz HAPRTDTUORUKEB-UHFFFAOYSA-N -1 1 360.435 2.051 20 0 FEADMM Cc1cccc2c(CC(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)c[nH]c21 ZINC000133645285 326612560 /nfs/dbraw/zinc/61/25/60/326612560.db2.gz FETJRPGMFPLDES-UHFFFAOYSA-N -1 1 363.421 2.288 20 0 FEADMM NC(=O)[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000137126030 326658256 /nfs/dbraw/zinc/65/82/56/326658256.db2.gz JWIQNUNKIZVZKK-CYBMUJFWSA-N -1 1 367.174 2.250 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(CO)ccc3C)ccc21 ZINC000151881602 326693464 /nfs/dbraw/zinc/69/34/64/326693464.db2.gz LUYRCHJTMGSGRC-UHFFFAOYSA-N -1 1 360.435 2.197 20 0 FEADMM 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352.387 2.424 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1-n1cnnn1 ZINC000479156659 561183223 /nfs/dbraw/zinc/18/32/23/561183223.db2.gz JYXSDWRNELUESA-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OCC)c2)o1 ZINC000479174741 561183411 /nfs/dbraw/zinc/18/34/11/561183411.db2.gz ZNKTVSPYTDLODI-UHFFFAOYSA-N -1 1 353.396 2.334 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccccc2C)o1 ZINC000479192732 561183976 /nfs/dbraw/zinc/18/39/76/561183976.db2.gz ZEQGPYADVBIQEY-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2F)o1 ZINC000479210505 561184817 /nfs/dbraw/zinc/18/48/17/561184817.db2.gz ODACSMOJWXFBIR-UHFFFAOYSA-N -1 1 359.350 2.256 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)c(C)c1 ZINC000171180927 546195080 /nfs/dbraw/zinc/19/50/80/546195080.db2.gz ZEOKVWQMKICKOH-UHFFFAOYSA-N -1 1 352.387 2.433 20 0 FEADMM CN(C)CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000171373049 546206484 /nfs/dbraw/zinc/20/64/84/546206484.db2.gz JBXXPWUBTHQOSX-UHFFFAOYSA-N -1 1 351.403 2.127 20 0 FEADMM COc1ccc(C[C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000171684916 546218803 /nfs/dbraw/zinc/21/88/03/546218803.db2.gz IDQIZPMDNGMSQM-GFCCVEGCSA-N -1 1 367.405 2.301 20 0 FEADMM O=C(NCc1cc2c(c(Br)c1)OCO2)c1cncc([O-])c1 ZINC000171866710 546228968 /nfs/dbraw/zinc/22/89/68/546228968.db2.gz IQDCSLVPAWVLID-UHFFFAOYSA-N -1 1 351.156 2.208 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000479464361 561190132 /nfs/dbraw/zinc/19/01/32/561190132.db2.gz CWAGDZNVQUOLEM-UHFFFAOYSA-N -1 1 366.786 2.419 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1Cc2ccccc2C[C@H]1C ZINC000172785784 546267476 /nfs/dbraw/zinc/26/74/76/546267476.db2.gz AAHXNIUGMIRJNK-GFCCVEGCSA-N -1 1 350.422 2.155 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000175653258 546328197 /nfs/dbraw/zinc/32/81/97/546328197.db2.gz WHAVAZCYCPXLTR-QKESZYPNSA-N -1 1 369.430 2.462 20 0 FEADMM C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000176135823 546412058 /nfs/dbraw/zinc/41/20/58/546412058.db2.gz YEOALBBWYSKIMC-RKDXNWHRSA-N -1 1 363.195 2.134 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000176171318 546416097 /nfs/dbraw/zinc/41/60/97/546416097.db2.gz LSLLXNOMTNGDEQ-UHFFFAOYSA-N -1 1 366.425 2.268 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(C)CCC(OC)CC2)o1 ZINC000480427232 561209131 /nfs/dbraw/zinc/20/91/31/561209131.db2.gz QJJIWIAPLVPTQF-UHFFFAOYSA-N -1 1 359.444 2.330 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1nn[n-]n1 ZINC000176761701 546485314 /nfs/dbraw/zinc/48/53/14/546485314.db2.gz LBUXCSGEPKVFAA-LLVKDONJSA-N -1 1 361.431 2.090 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(OC)ccc1Br)c1nn[n-]n1 ZINC000176767066 546485406 /nfs/dbraw/zinc/48/54/06/546485406.db2.gz VCZNMMXLZHCXBK-LLVKDONJSA-N -1 1 354.208 2.242 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nn[n-]n1 ZINC000176760617 546485524 /nfs/dbraw/zinc/48/55/24/546485524.db2.gz KIMJFSJPIODGTI-HZPDHXFCSA-N -1 1 370.457 2.018 20 0 FEADMM CCC[C@H](NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1nn[n-]n1 ZINC000176777873 546486771 /nfs/dbraw/zinc/48/67/71/546486771.db2.gz PNAHJCMEEKCLAG-JKSUJKDBSA-N -1 1 354.414 2.121 20 0 FEADMM CN(CC(C)(C)O)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000176899533 546504116 /nfs/dbraw/zinc/50/41/16/546504116.db2.gz UKSMPWJINYCHAB-UHFFFAOYSA-N -1 1 362.451 2.330 20 0 FEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177029119 546526140 /nfs/dbraw/zinc/52/61/40/546526140.db2.gz QAURGZXLPIPPRO-GWQKEKGPSA-N -1 1 369.446 2.494 20 0 FEADMM Cc1cc2n[nH]cc2cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000481295166 561229973 /nfs/dbraw/zinc/22/99/73/561229973.db2.gz NJGSRKOHHVZJMI-UHFFFAOYSA-N -1 1 350.338 2.181 20 0 FEADMM CN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1=O ZINC000481370671 561231723 /nfs/dbraw/zinc/23/17/23/561231723.db2.gz LVRHBTYZLMDUPO-SNVBAGLBSA-N -1 1 370.780 2.258 20 0 FEADMM COc1cc(F)c(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1F ZINC000481564856 561236176 /nfs/dbraw/zinc/23/61/76/561236176.db2.gz DWBROBHOBFOWCQ-UHFFFAOYSA-N -1 1 372.349 2.438 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000481587210 561236781 /nfs/dbraw/zinc/23/67/81/561236781.db2.gz KCURDYMXNPKOBD-BDAKNGLRSA-N -1 1 372.245 2.056 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCOc3cc(C)ccc32)ccc1[O-] ZINC000481604867 561237118 /nfs/dbraw/zinc/23/71/18/561237118.db2.gz MWQKJHBRPMHKDS-UHFFFAOYSA-N -1 1 362.407 2.247 20 0 FEADMM Cc1c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccn1 ZINC000481618118 561237447 /nfs/dbraw/zinc/23/74/47/561237447.db2.gz BJIWZIQHRHKIHZ-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCCCC3)co1 ZINC000179336033 546933260 /nfs/dbraw/zinc/93/32/60/546933260.db2.gz OGKWXQDYOSLSSJ-UHFFFAOYSA-N -1 1 355.441 2.165 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481976175 561246575 /nfs/dbraw/zinc/24/65/75/561246575.db2.gz IVTBIJLYXDZKMM-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 ZINC000179539809 546972942 /nfs/dbraw/zinc/97/29/42/546972942.db2.gz KDJFHXXMMMWWMQ-UHFFFAOYSA-N -1 1 365.798 2.427 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(Cl)cc1F ZINC000179540075 546974827 /nfs/dbraw/zinc/97/48/27/546974827.db2.gz JMFFIIFMFUGKBI-UHFFFAOYSA-N -1 1 358.778 2.393 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1 ZINC000179726263 547004479 /nfs/dbraw/zinc/00/44/79/547004479.db2.gz LCYYYKSCCIKOJG-UHFFFAOYSA-N -1 1 359.411 2.250 20 0 FEADMM O=C(Nc1ccc(C(=O)NC2(CO)CC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000179975041 547035379 /nfs/dbraw/zinc/03/53/79/547035379.db2.gz HLPBFJADKWSNDZ-UHFFFAOYSA-N -1 1 362.332 2.177 20 0 FEADMM CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000180359846 547091499 /nfs/dbraw/zinc/09/14/99/547091499.db2.gz RMSJAHFLMQNMKB-LLVKDONJSA-N -1 1 365.373 2.450 20 0 FEADMM CC(C)[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000181019796 547232498 /nfs/dbraw/zinc/23/24/98/547232498.db2.gz CSDILEIFIFWSHY-QGZVFWFLSA-N -1 1 362.451 2.234 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)c1ccc2ccccc2c1 ZINC000181816371 547385670 /nfs/dbraw/zinc/38/56/70/547385670.db2.gz PVTIUZKJJYXAEE-KRWDZBQOSA-N -1 1 373.434 2.074 20 0 FEADMM C[C@@H](CN(C)C(=O)COc1ccc(Cl)c2cccnc12)c1nn[n-]n1 ZINC000183395826 547650644 /nfs/dbraw/zinc/65/06/44/547650644.db2.gz IVJQGZZTVJBIMU-JTQLQIEISA-N -1 1 360.805 2.042 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nn[n-]n1 ZINC000183408286 547652806 /nfs/dbraw/zinc/65/28/06/547652806.db2.gz NCBLCNCIIVBYAS-CYBMUJFWSA-N -1 1 364.409 2.328 20 0 FEADMM Cc1nn(CC(C)C)c(Cl)c1C=CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183418018 547655191 /nfs/dbraw/zinc/65/51/91/547655191.db2.gz OJCAPKOYIKAPMT-MLRMMBSGSA-N -1 1 365.869 2.289 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nn[n-]n1 ZINC000183421011 547655301 /nfs/dbraw/zinc/65/53/01/547655301.db2.gz KSIKCWOCAVUHHM-JTQLQIEISA-N -1 1 357.336 2.293 20 0 FEADMM C[C@H](CN(C)C(=O)C=Cc1ccc(Br)s1)c1nn[n-]n1 ZINC000183425259 547656562 /nfs/dbraw/zinc/65/65/62/547656562.db2.gz JDPRIQAORWVCPL-YZCDNWJKSA-N -1 1 356.249 2.299 20 0 FEADMM Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183441668 547660336 /nfs/dbraw/zinc/66/03/36/547660336.db2.gz VSFNPTADKJHOJF-JTQLQIEISA-N -1 1 374.426 2.291 20 0 FEADMM CCC[C@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nn[n-]n1 ZINC000183482949 547668415 /nfs/dbraw/zinc/66/84/15/547668415.db2.gz LLNSNUWMSIVGOO-LBPRGKRZSA-N -1 1 350.810 2.308 20 0 FEADMM Cn1[n-]c(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)nc1=O ZINC000484531579 561299281 /nfs/dbraw/zinc/29/92/81/561299281.db2.gz HBPYJAJWIMDNGG-MRXNPFEDSA-N -1 1 366.400 2.128 20 0 FEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000484577335 561300432 /nfs/dbraw/zinc/30/04/32/561300432.db2.gz UFNYTDUGDJADOU-UHFFFAOYSA-N -1 1 374.374 2.036 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000484729179 561304611 /nfs/dbraw/zinc/30/46/11/561304611.db2.gz RAFQBUBYAMTCTJ-CYBMUJFWSA-N -1 1 368.846 2.242 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000184235252 547792820 /nfs/dbraw/zinc/79/28/20/547792820.db2.gz CVYJXZWONCSNCI-UHFFFAOYSA-N -1 1 369.469 2.123 20 0 FEADMM Cc1ccccc1-n1ncc(C(=O)NC2(c3nn[n-]n3)CC2)c1C(C)C ZINC000484905180 561308182 /nfs/dbraw/zinc/30/81/82/561308182.db2.gz DZXFANBLPOUQGS-UHFFFAOYSA-N -1 1 351.414 2.236 20 0 FEADMM O=C(CNC(=O)c1c([O-])cccc1F)Nc1ccc(-n2cccn2)cc1 ZINC000184798858 547880420 /nfs/dbraw/zinc/88/04/20/547880420.db2.gz GTMPFEGQKYDOKZ-UHFFFAOYSA-N -1 1 354.341 2.086 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000184965867 547908364 /nfs/dbraw/zinc/90/83/64/547908364.db2.gz NLYWNWDIMPLQJH-AWEZNQCLSA-N -1 1 368.499 2.346 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000184967295 547908983 /nfs/dbraw/zinc/90/89/83/547908983.db2.gz KZGWUBKKJKLCHZ-ZDUSSCGKSA-N -1 1 372.462 2.231 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)co1 ZINC000485238140 561315566 /nfs/dbraw/zinc/31/55/66/561315566.db2.gz AHJZCLFSTXKBTO-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccoc2)c1 ZINC000185916467 548058819 /nfs/dbraw/zinc/05/88/19/548058819.db2.gz HWAFPNYKDBNHPX-UHFFFAOYSA-N -1 1 352.412 2.197 20 0 FEADMM COC(=O)C(C)(C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485663850 561325233 /nfs/dbraw/zinc/32/52/33/561325233.db2.gz RTIBMNWGUBMQLH-UHFFFAOYSA-N -1 1 367.199 2.384 20 0 FEADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000485732323 561326878 /nfs/dbraw/zinc/32/68/78/561326878.db2.gz PMIRELZZLGVMQW-UHFFFAOYSA-N -1 1 358.379 2.096 20 0 FEADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)[nH]n1 ZINC000485874521 561330619 /nfs/dbraw/zinc/33/06/19/561330619.db2.gz JASLSEKXGWDPJE-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2ccc(Br)c([O-])c2)o1 ZINC000486749128 561355673 /nfs/dbraw/zinc/35/56/73/561355673.db2.gz CSIAFZMDSHDIKY-UHFFFAOYSA-N -1 1 354.156 2.464 20 0 FEADMM CN1CCO[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000194733471 548523716 /nfs/dbraw/zinc/52/37/16/548523716.db2.gz QKEJFGNDDLCUQB-SECBINFHSA-N -1 1 373.689 2.256 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3csc(C)n3)n2)cc1 ZINC000195121342 548581507 /nfs/dbraw/zinc/58/15/07/548581507.db2.gz VXBCGRAFLJJYBT-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3csc(C)n3)n[n-]2)cc1 ZINC000195121342 548581508 /nfs/dbraw/zinc/58/15/08/548581508.db2.gz VXBCGRAFLJJYBT-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM CCN(C(=O)[C@@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1)C1CCCCC1 ZINC000195166154 548588586 /nfs/dbraw/zinc/58/85/86/548588586.db2.gz DRCLCFOSPJHCAH-GFCCVEGCSA-N -1 1 370.519 2.446 20 0 FEADMM CCN(C(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1)C1CCCCC1 ZINC000195166154 548588591 /nfs/dbraw/zinc/58/85/91/548588591.db2.gz DRCLCFOSPJHCAH-GFCCVEGCSA-N -1 1 370.519 2.446 20 0 FEADMM CCN(C(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1)C1CCCCC1 ZINC000195166154 548588596 /nfs/dbraw/zinc/58/85/96/548588596.db2.gz DRCLCFOSPJHCAH-GFCCVEGCSA-N -1 1 370.519 2.446 20 0 FEADMM O=C(NC[C@@H]1CCSC1)c1ccc(I)c([O-])c1 ZINC000229695447 548757048 /nfs/dbraw/zinc/75/70/48/548757048.db2.gz KLLOKTMBUMGENT-QMMMGPOBSA-N -1 1 363.220 2.480 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@H]2CCC[C@H]21 ZINC000230890275 548761163 /nfs/dbraw/zinc/76/11/63/548761163.db2.gz VXAILRLSNMTKDW-YPMHNXCESA-N -1 1 373.190 2.390 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000230900270 548762528 /nfs/dbraw/zinc/76/25/28/548762528.db2.gz DYZZFLBARHVZQW-AOOOYVTPSA-N -1 1 359.163 2.000 20 0 FEADMM CC(C)c1csc2nc(-c3ccc(S(N)(=O)=O)cn3)[n-]c(=O)c12 ZINC000487497039 561370739 /nfs/dbraw/zinc/37/07/39/561370739.db2.gz DQANSASNCAKLHX-UHFFFAOYSA-N -1 1 350.425 2.230 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCN1c1ccccc1F ZINC000489739355 561418187 /nfs/dbraw/zinc/41/81/87/561418187.db2.gz LERBYOQTLCOBDA-CYBMUJFWSA-N -1 1 370.352 2.188 20 0 FEADMM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@@H]12)c1sccc1Br ZINC000249940685 549634630 /nfs/dbraw/zinc/63/46/30/549634630.db2.gz SXMNDWYTFGNGOZ-FXBDTBDDSA-N -1 1 352.275 2.356 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000490130082 561427406 /nfs/dbraw/zinc/42/74/06/561427406.db2.gz VOMFHORIVDBQOK-UHFFFAOYSA-N -1 1 371.824 2.486 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCC3)no2)o1 ZINC000261899085 549767743 /nfs/dbraw/zinc/76/77/43/549767743.db2.gz YJKUBZJZEGEQHE-UHFFFAOYSA-N -1 1 354.432 2.134 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000490331049 561431110 /nfs/dbraw/zinc/43/11/10/561431110.db2.gz PVTZLVYPAVDFGQ-WDEREUQCSA-N -1 1 359.348 2.002 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000490424796 561432811 /nfs/dbraw/zinc/43/28/11/561432811.db2.gz JWNQTMXEFINPRA-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263184784 549883763 /nfs/dbraw/zinc/88/37/63/549883763.db2.gz USQUFEBGSAILAE-IXDOHACOSA-N -1 1 354.491 2.275 20 0 FEADMM CCOc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1OCC ZINC000263332836 549895398 /nfs/dbraw/zinc/89/53/98/549895398.db2.gz LWPBJWFVEDIAOU-UONOGXRCSA-N -1 1 364.442 2.465 20 0 FEADMM COc1ccc(NC(=O)NC[C@@]2(C)CCCS2)cc1[N-]S(C)(=O)=O ZINC000268302600 550046885 /nfs/dbraw/zinc/04/68/85/550046885.db2.gz UNVJZZNKGOMHCX-OAHLLOKOSA-N -1 1 373.500 2.474 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)[nH]n1 ZINC000268461004 550069714 /nfs/dbraw/zinc/06/97/14/550069714.db2.gz UMCCITPRJUHBBB-JTQLQIEISA-N -1 1 366.443 2.222 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)[nH]n1 ZINC000268475241 550073093 /nfs/dbraw/zinc/07/30/93/550073093.db2.gz ZNOOEZDORSPBMU-UHFFFAOYSA-N -1 1 362.455 2.445 20 0 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Cn1[n-]cc2/c(=N\C(=O)N[C@@H]3CCCN(c4ccccc4F)C3)ccnc1-2 ZINC000287316250 551988568 /nfs/dbraw/zinc/98/85/68/551988568.db2.gz WCMSWBYYFDEALL-UHOOPTBMSA-N -1 1 368.416 2.271 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C(=O)N3CCC[C@H]3CC3CCCCC3)ccnc1-2 ZINC000287360577 551994142 /nfs/dbraw/zinc/99/41/42/551994142.db2.gz BBMUIPFBJYJZAJ-ADSWHHSESA-N -1 1 369.469 2.242 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)/N=c1/ccnc2n(C)[nH]cc1-2)c1ccco1 ZINC000287564533 552019632 /nfs/dbraw/zinc/01/96/32/552019632.db2.gz KMCWEPALVTWOLM-HSMAQGNYSA-N -1 1 356.430 2.139 20 0 FEADMM CCn1ccnc1[C@@H]1CCCCN1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287569429 552020261 /nfs/dbraw/zinc/02/02/61/552020261.db2.gz KSSCSPOPRKOXOJ-HSMAQGNYSA-N -1 1 353.430 2.317 20 0 FEADMM O=S(=O)(CC[C@H](O)c1ccccc1)c1nnc(Cc2cccs2)[n-]1 ZINC000287647038 552029681 /nfs/dbraw/zinc/02/96/81/552029681.db2.gz USOAPMFZPRMLAE-AWEZNQCLSA-N -1 1 363.464 2.354 20 0 FEADMM O=S(=O)(CC[C@H](O)c1ccccc1)c1nc(Cc2cccs2)n[n-]1 ZINC000287647038 552029682 /nfs/dbraw/zinc/02/96/82/552029682.db2.gz USOAPMFZPRMLAE-AWEZNQCLSA-N -1 1 363.464 2.354 20 0 FEADMM O=S(=O)(CC[C@H](O)c1ccccc1)c1n[n-]c(Cc2cccs2)n1 ZINC000287647038 552029684 /nfs/dbraw/zinc/02/96/84/552029684.db2.gz USOAPMFZPRMLAE-AWEZNQCLSA-N -1 1 363.464 2.354 20 0 FEADMM C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)c1ccc([O-])cc1 ZINC000288188538 552106863 /nfs/dbraw/zinc/10/68/63/552106863.db2.gz NMYLSQWIUKQXNE-UHFFFAOYSA-N -1 1 362.376 2.444 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)c(F)c1 ZINC000288372994 552142576 /nfs/dbraw/zinc/14/25/76/552142576.db2.gz JWVIZUFOUVRORQ-DOTOQJQBSA-N -1 1 351.399 2.048 20 0 FEADMM COc1cccc(OC)c1OCCCCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530171138 562401212 /nfs/dbraw/zinc/40/12/12/562401212.db2.gz ZDDROAGDUKAICQ-CJNGLKHVSA-N -1 1 353.415 2.037 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1(CCF)CC1 ZINC000289297444 552296937 /nfs/dbraw/zinc/29/69/37/552296937.db2.gz AYGPFLOOQTZJNS-UHFFFAOYSA-N -1 1 356.419 2.255 20 0 FEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)cc21 ZINC000500298566 561569777 /nfs/dbraw/zinc/56/97/77/561569777.db2.gz QIAVCVJBZKBIAL-UHFFFAOYSA-N -1 1 358.423 2.264 20 0 FEADMM Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000289468511 552326116 /nfs/dbraw/zinc/32/61/16/552326116.db2.gz HDERQQRPNLOYMZ-SNVBAGLBSA-N -1 1 370.418 2.136 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NC(=O)NC1CCCCC1 ZINC000289575384 552343709 /nfs/dbraw/zinc/34/37/09/552343709.db2.gz QUOSONMGHCJJLI-UHFFFAOYSA-N -1 1 360.386 2.370 20 0 FEADMM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1c(F)ccc([O-])c1F ZINC000289873403 552392396 /nfs/dbraw/zinc/39/23/96/552392396.db2.gz VWDQKWXKEBXGIQ-UHFFFAOYSA-N -1 1 366.286 2.201 20 0 FEADMM Cc1cc(N2CCC[C@@H](NC(=O)c3c(F)ccc([O-])c3F)C2)n(C)n1 ZINC000290161338 552436503 /nfs/dbraw/zinc/43/65/03/552436503.db2.gz LXGCFFMQBFZJMY-LLVKDONJSA-N -1 1 350.369 2.111 20 0 FEADMM COCC1(c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CCCCC1 ZINC000290198931 552441462 /nfs/dbraw/zinc/44/14/62/552441462.db2.gz VNHYZWUCFCHSBQ-UHFFFAOYSA-N -1 1 371.484 2.458 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1C ZINC000290429303 552477829 /nfs/dbraw/zinc/47/78/29/552477829.db2.gz ALVSTARUSHFDDR-UHFFFAOYSA-N -1 1 357.819 2.139 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000290779750 552536738 /nfs/dbraw/zinc/53/67/38/552536738.db2.gz PIVKLCNZDYAVAP-NSHDSACASA-N -1 1 350.444 2.205 20 0 FEADMM CNc1snc(C)c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291151774 552593681 /nfs/dbraw/zinc/59/36/81/552593681.db2.gz PYINYEIQPYYQRY-SECBINFHSA-N -1 1 364.393 2.024 20 0 FEADMM CSc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccn1 ZINC000291202382 552599632 /nfs/dbraw/zinc/59/96/32/552599632.db2.gz UTYAXBVRQASREI-SNVBAGLBSA-N -1 1 361.389 2.334 20 0 FEADMM Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291232400 552603721 /nfs/dbraw/zinc/60/37/21/552603721.db2.gz WXUNLUDLGFXAJU-LLVKDONJSA-N -1 1 374.407 2.248 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2snnc2C2CC2)c1 ZINC000291377990 552620482 /nfs/dbraw/zinc/62/04/82/552620482.db2.gz BTXCSCKZTQIGJZ-UHFFFAOYSA-N -1 1 370.431 2.057 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(C(C)C)n2)c1 ZINC000291878041 552670944 /nfs/dbraw/zinc/67/09/44/552670944.db2.gz GYEISRAGNPHSIC-UHFFFAOYSA-N -1 1 355.441 2.133 20 0 FEADMM CCc1nc(C)c(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000292093293 552692880 /nfs/dbraw/zinc/69/28/80/552692880.db2.gz HBRYSPDDIPNYEU-UHFFFAOYSA-N -1 1 350.444 2.320 20 0 FEADMM COc1ccc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cc1 ZINC000292486814 552731065 /nfs/dbraw/zinc/73/10/65/552731065.db2.gz FALFMJUSMCLKBO-BXUZGUMPSA-N -1 1 358.360 2.296 20 0 FEADMM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3c(C)coc3C)C2=O)c1 ZINC000292681134 552748811 /nfs/dbraw/zinc/74/88/11/552748811.db2.gz BMSPKDLVLPRHKV-SFHVURJKSA-N -1 1 357.366 2.017 20 0 FEADMM O=S(=O)([N-]Cc1cccc(N2CCOCC2)c1)c1cc(F)ccc1F ZINC000292827488 552762249 /nfs/dbraw/zinc/76/22/49/552762249.db2.gz URTGLDJOZJKCCD-UHFFFAOYSA-N -1 1 368.405 2.280 20 0 FEADMM CCC[C@@]1(CO)CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000293015703 552780761 /nfs/dbraw/zinc/78/07/61/552780761.db2.gz MMWGSNUXCCAPCH-HXUWFJFHSA-N -1 1 370.453 2.106 20 0 FEADMM Cc1nsc(C)c1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000293061167 552785152 /nfs/dbraw/zinc/78/51/52/552785152.db2.gz QDDJFBSPRXGTBX-UHFFFAOYSA-N -1 1 356.454 2.350 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(C(F)(F)F)n1 ZINC000293464122 552826543 /nfs/dbraw/zinc/82/65/43/552826543.db2.gz LIJYOMFXTGBNFZ-SCRDCRAPSA-N -1 1 371.384 2.303 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CC(N)=O)c1ccccc1 ZINC000294150510 552885825 /nfs/dbraw/zinc/88/58/25/552885825.db2.gz OZYQZTUEFQVTBE-ZDUSSCGKSA-N -1 1 356.426 2.135 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2nc(C(C)=O)cs2)c(=O)[n-]1 ZINC000294646262 552923509 /nfs/dbraw/zinc/92/35/09/552923509.db2.gz BLXVNTIGQXNEFW-UHFFFAOYSA-N -1 1 352.441 2.443 20 0 FEADMM O=C(NC1CCN(c2ccccc2)CC1)c1ccc2n[n-]c(=S)n2c1 ZINC000294746681 552931260 /nfs/dbraw/zinc/93/12/60/552931260.db2.gz CTRCUHJHLVNSFB-UHFFFAOYSA-N -1 1 353.451 2.417 20 0 FEADMM COc1ccc(C[C@@H](C)NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1OC ZINC000294782723 552933979 /nfs/dbraw/zinc/93/39/79/552933979.db2.gz CRPOMSDOZBCFNW-LLVKDONJSA-N -1 1 372.450 2.396 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c(C(F)(F)F)n1 ZINC000295185030 552967625 /nfs/dbraw/zinc/96/76/25/552967625.db2.gz CIZGRWGOMUVUHX-UHFFFAOYSA-N -1 1 362.377 2.090 20 0 FEADMM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1C ZINC000295222401 552971512 /nfs/dbraw/zinc/97/15/12/552971512.db2.gz BGYWOAAPQAMMFM-RKDXNWHRSA-N -1 1 351.255 2.139 20 0 FEADMM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295263499 552978327 /nfs/dbraw/zinc/97/83/27/552978327.db2.gz HTJVSZYCIDPHJI-OAHLLOKOSA-N -1 1 356.451 2.431 20 0 FEADMM COc1ccc(NC(=O)NCCC(C)(F)F)cc1[N-]S(C)(=O)=O ZINC000296875847 553223555 /nfs/dbraw/zinc/22/35/55/553223555.db2.gz LZHORPYDQCLBIP-UHFFFAOYSA-N -1 1 351.375 2.234 20 0 FEADMM COc1ccc(NC(=O)NCc2cc(C)ccn2)cc1[N-]S(C)(=O)=O ZINC000297099331 553253072 /nfs/dbraw/zinc/25/30/72/553253072.db2.gz XXCNNUDEHHTKPP-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000298467297 553428288 /nfs/dbraw/zinc/42/82/88/553428288.db2.gz LWTWIBVPOUZKAM-UHFFFAOYSA-N -1 1 354.403 2.379 20 0 FEADMM COc1ccc(NC(=O)NCc2ccc(C)nc2)cc1[N-]S(C)(=O)=O ZINC000298679169 553457849 /nfs/dbraw/zinc/45/78/49/553457849.db2.gz PEPKQCNIWSFKPI-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM O=C(c1ncsc1-c1ccccc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298837374 553479134 /nfs/dbraw/zinc/47/91/34/553479134.db2.gz DCYBYDFTINKAJL-GFCCVEGCSA-N -1 1 355.423 2.241 20 0 FEADMM O=C(c1c[nH]cc1-c1ccccc1F)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298907500 553488172 /nfs/dbraw/zinc/48/81/72/553488172.db2.gz LLUDIXBELDGPNF-LLVKDONJSA-N -1 1 355.373 2.252 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@@H]([C@H]4CCCO4)C3)nc2)[n-]c(=O)c1C ZINC000301614133 553665699 /nfs/dbraw/zinc/66/56/99/553665699.db2.gz UKWSCDNQXKDLJO-HZPDHXFCSA-N -1 1 356.426 2.245 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1nc[nH]n1 ZINC000311610959 553754907 /nfs/dbraw/zinc/75/49/07/553754907.db2.gz FBVRKERWLDYFKE-LURJTMIESA-N -1 1 365.640 2.260 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H](O)CC ZINC000313111501 553756961 /nfs/dbraw/zinc/75/69/61/553756961.db2.gz MEFJGZFILAPZNB-MNOVXSKESA-N -1 1 363.195 2.276 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000505864619 561683276 /nfs/dbraw/zinc/68/32/76/561683276.db2.gz OINNCQUDUHNTTP-UHFFFAOYSA-N -1 1 354.472 2.190 20 0 FEADMM CCc1cc(C(=O)NC2(c3nn[n-]n3)CC2)c2c(CC(C)(C)C)noc2n1 ZINC000505989634 561686850 /nfs/dbraw/zinc/68/68/50/561686850.db2.gz KCNGCJYLNIIRTL-UHFFFAOYSA-N -1 1 369.429 2.306 20 0 FEADMM Cc1sc2nc(SCc3nc(=O)n(C)[n-]3)n(C(C)C)c(=O)c2c1C ZINC000329281538 553917270 /nfs/dbraw/zinc/91/72/70/553917270.db2.gz MOXFGDTWIPYYER-UHFFFAOYSA-N -1 1 365.484 2.370 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000329466234 553951834 /nfs/dbraw/zinc/95/18/34/553951834.db2.gz RWBYEZWJEUIFBJ-IBGZPJMESA-N -1 1 370.453 2.012 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000507528896 561731905 /nfs/dbraw/zinc/73/19/05/561731905.db2.gz KYXJUJVYGWPEMW-OFAQMXQXSA-N -1 1 351.406 2.221 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOC)c2)c1 ZINC000507580709 561734273 /nfs/dbraw/zinc/73/42/73/561734273.db2.gz DPPPTDZKACGXNN-UHFFFAOYSA-N -1 1 362.451 2.426 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000507612554 561735046 /nfs/dbraw/zinc/73/50/46/561735046.db2.gz DZBOIPGAJVMSBL-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(N2CCCC2)cn1 ZINC000507662924 561737137 /nfs/dbraw/zinc/73/71/37/561737137.db2.gz GOUBQMGDRQQLMA-UHFFFAOYSA-N -1 1 366.425 2.228 20 0 FEADMM O=S(=O)([N-][C@@H]1CCn2ccnc2C1)c1sccc1Br ZINC000330219964 554087724 /nfs/dbraw/zinc/08/77/24/554087724.db2.gz PVOSUMHILDDTQR-MRVPVSSYSA-N -1 1 362.274 2.000 20 0 FEADMM COCCn1nc(C)c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1C ZINC000507887043 561744774 /nfs/dbraw/zinc/74/47/74/561744774.db2.gz IUZJKFYWHVFAMO-UHFFFAOYSA-N -1 1 370.475 2.374 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(O)CCC(C(C)(C)C)CC2)c1 ZINC000330429862 554120684 /nfs/dbraw/zinc/12/06/84/554120684.db2.gz KVEFKGZNQHWKEI-UHFFFAOYSA-N -1 1 373.471 2.312 20 0 FEADMM C[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000330440531 554122169 /nfs/dbraw/zinc/12/21/69/554122169.db2.gz ORRLUCFACGHEPD-NWDGAFQWSA-N -1 1 358.460 2.044 20 0 FEADMM C[C@H]1CC(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](C)O1 ZINC000330511645 554132298 /nfs/dbraw/zinc/13/22/98/554132298.db2.gz JIBYBYKMZXTMAY-RYUDHWBXSA-N -1 1 372.487 2.290 20 0 FEADMM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000330605916 554145432 /nfs/dbraw/zinc/14/54/32/554145432.db2.gz MYAWJFAJCNRURK-MRVPVSSYSA-N -1 1 359.300 2.054 20 0 FEADMM CCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCOCC1 ZINC000330640204 554149800 /nfs/dbraw/zinc/14/98/00/554149800.db2.gz PXROPCKHZDMLJY-UHFFFAOYSA-N -1 1 372.487 2.293 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000330725884 554163677 /nfs/dbraw/zinc/16/36/77/554163677.db2.gz ZRZKGGHIUBFCES-YFKPBYRVSA-N -1 1 352.235 2.242 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](C)C[C@H]2C(N)=O)c(=O)[n-]1 ZINC000331198519 554229491 /nfs/dbraw/zinc/22/94/91/554229491.db2.gz XSLZBADHGMDPHO-SKDRFNHKSA-N -1 1 352.460 2.307 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCOCC1 ZINC000331227068 554233472 /nfs/dbraw/zinc/23/34/72/554233472.db2.gz NSMZRJWLNGVHPQ-SECBINFHSA-N -1 1 371.261 2.132 20 0 FEADMM COCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508772147 561772218 /nfs/dbraw/zinc/77/22/18/561772218.db2.gz GMJRMRNPSVTNBG-QMMMGPOBSA-N -1 1 370.254 2.483 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000331510256 554277498 /nfs/dbraw/zinc/27/74/98/554277498.db2.gz XQTOJUMNHBXSHH-LBPRGKRZSA-N -1 1 367.243 2.239 20 0 FEADMM CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000331815781 554324446 /nfs/dbraw/zinc/32/44/46/554324446.db2.gz OWVSLFCCELLTDT-NSHDSACASA-N -1 1 350.806 2.473 20 0 FEADMM CO[C@@H](C)c1nsc(=NCCN2CCN(c3ccc(F)cc3)CC2)[n-]1 ZINC000509647685 561808828 /nfs/dbraw/zinc/80/88/28/561808828.db2.gz BQWFHQKATFCOFO-ZDUSSCGKSA-N -1 1 365.478 2.041 20 0 FEADMM COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc(Cl)c1[O-] ZINC000331883982 554338210 /nfs/dbraw/zinc/33/82/10/554338210.db2.gz WQTZPTAPEYEGKU-JQWIXIFHSA-N -1 1 367.789 2.348 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC000509385005 561797228 /nfs/dbraw/zinc/79/72/28/561797228.db2.gz NQCKAKSQHMYPSI-UHFFFAOYSA-N -1 1 361.423 2.035 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc(Cl)c1[O-] ZINC000332053541 554370794 /nfs/dbraw/zinc/37/07/94/554370794.db2.gz YDNQKCNOSPMTLA-XJKSGUPXSA-N -1 1 365.817 2.356 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC1CCC(F)(F)CC1 ZINC000332072827 554374268 /nfs/dbraw/zinc/37/42/68/554374268.db2.gz WRDFBTYCXWJTLG-UHFFFAOYSA-N -1 1 363.368 2.184 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332129130 554386460 /nfs/dbraw/zinc/38/64/60/554386460.db2.gz DNAAXQKPVBTFIA-VIFPVBQESA-N -1 1 355.753 2.353 20 0 FEADMM CO[C@H](C)c1cccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000332328730 554425926 /nfs/dbraw/zinc/42/59/26/554425926.db2.gz RZBOIKVDQHFGFX-LLVKDONJSA-N -1 1 362.459 2.182 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCc1cc(Cl)cc(Cl)c1 ZINC000509949277 561819597 /nfs/dbraw/zinc/81/95/97/561819597.db2.gz PCMSDPPJTHZQNF-UHFFFAOYSA-N -1 1 368.220 2.183 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1nc2c(s1)CCCCCC2 ZINC000509978981 561820519 /nfs/dbraw/zinc/82/05/19/561820519.db2.gz HYLOIDZFSOKKSV-UHFFFAOYSA-N -1 1 360.439 2.271 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@H]1O ZINC000332509234 554458661 /nfs/dbraw/zinc/45/86/61/554458661.db2.gz CQOFCPORZZMBAU-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM Cc1cnc(C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c([O-])c1 ZINC000332540001 554467182 /nfs/dbraw/zinc/46/71/82/554467182.db2.gz CKKFVGAMLXDIMU-SNVBAGLBSA-N -1 1 354.332 2.303 20 0 FEADMM Cc1nc(SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)[n-]c(=O)c1C ZINC000332584938 554477105 /nfs/dbraw/zinc/47/71/05/554477105.db2.gz BGNMCEGDVSTQAW-CABZTGNLSA-N -1 1 352.460 2.296 20 0 FEADMM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Cl)cc1[O-] ZINC000333025971 554560779 /nfs/dbraw/zinc/56/07/79/554560779.db2.gz GITCWMOMTOCRIF-ZDUSSCGKSA-N -1 1 351.834 2.456 20 0 FEADMM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1sccc1Br ZINC000333161758 554581856 /nfs/dbraw/zinc/58/18/56/554581856.db2.gz INHRVZMXOCNTKX-SECBINFHSA-N -1 1 352.275 2.358 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)[C@]12CCCO2 ZINC000333273118 554597450 /nfs/dbraw/zinc/59/74/50/554597450.db2.gz CVFDYNBBWGOVQY-NQBHXWOUSA-N -1 1 351.877 2.406 20 0 FEADMM CC1(C)NC(=O)N(Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1=O ZINC000348791038 554699617 /nfs/dbraw/zinc/69/96/17/554699617.db2.gz XYKFCOKHKHKPER-UHFFFAOYSA-N -1 1 373.434 2.318 20 0 FEADMM O=C(c1nc[n-]c1-c1nc([C@@H]2CN(C3CC3)CCO2)no1)c1ccccc1 ZINC000350050302 554757116 /nfs/dbraw/zinc/75/71/16/554757116.db2.gz USEWBTLOXBFCQF-AWEZNQCLSA-N -1 1 365.393 2.226 20 0 FEADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)S(=O)(=O)C1CCOCC1 ZINC000350614493 554802497 /nfs/dbraw/zinc/80/24/97/554802497.db2.gz URXLUALEXQHNOU-SECBINFHSA-N -1 1 356.375 2.236 20 0 FEADMM Cn1cc(-n2cc(-c3nc(-c4ccc([O-])cc4F)no3)ccc2=O)cn1 ZINC000350817680 554815756 /nfs/dbraw/zinc/81/57/56/554815756.db2.gz XPWFEFKQDVFHQV-UHFFFAOYSA-N -1 1 353.313 2.133 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2cncn2C)no1 ZINC000350876562 554819502 /nfs/dbraw/zinc/81/95/02/554819502.db2.gz FVILXFDUBRKADX-UHFFFAOYSA-N -1 1 363.381 2.121 20 0 FEADMM CCc1noc(C)c1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000351016421 554829785 /nfs/dbraw/zinc/82/97/85/554829785.db2.gz HOABPPZTEKXRFW-UHFFFAOYSA-N -1 1 354.413 2.135 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc([C@@H](Cc3ccccc3)OC)no2)o1 ZINC000351142352 554839523 /nfs/dbraw/zinc/83/95/23/554839523.db2.gz KISZQPSBHCOPIZ-CYBMUJFWSA-N -1 1 363.395 2.168 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCN1Cc1ccccc1 ZINC000360572251 554880544 /nfs/dbraw/zinc/88/05/44/554880544.db2.gz TWVFGBZNKMHCCQ-OAHLLOKOSA-N -1 1 366.389 2.044 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1 ZINC000361000204 554899824 /nfs/dbraw/zinc/89/98/24/554899824.db2.gz VJBURGXGWYETEV-UHFFFAOYSA-N -1 1 372.406 2.070 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc(-c4ncon4)c3)cc21 ZINC000363190848 555049830 /nfs/dbraw/zinc/04/98/30/555049830.db2.gz MLXGFUVOUYGVCK-UHFFFAOYSA-N -1 1 357.347 2.208 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1cc(F)ccc1F ZINC000363233440 555060092 /nfs/dbraw/zinc/06/00/92/555060092.db2.gz IINSCJDYUKEBNO-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1C(N)=O ZINC000363366782 555087102 /nfs/dbraw/zinc/08/71/02/555087102.db2.gz KALNLJLIVCOUAQ-UHFFFAOYSA-N -1 1 373.434 2.170 20 0 FEADMM C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccncc1[O-] ZINC000512001616 561888472 /nfs/dbraw/zinc/88/84/72/561888472.db2.gz KYJNYRVXTLRENL-QMMMGPOBSA-N -1 1 354.193 2.273 20 0 FEADMM CCCC[C@H](NC(=O)NCC)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616007265 555263152 /nfs/dbraw/zinc/26/31/52/555263152.db2.gz NZHLVLQVBMMIBK-VIFPVBQESA-N -1 1 360.256 2.297 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1Br ZINC000616011169 555263491 /nfs/dbraw/zinc/26/34/91/555263491.db2.gz KZAQBEQUJIMMEN-IVZWLZJFSA-N -1 1 355.236 2.114 20 0 FEADMM O=C(CN1CCN(C2CC2)C1=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000616251180 555284366 /nfs/dbraw/zinc/28/43/66/555284366.db2.gz NAZSYEUXMQVHJD-UHFFFAOYSA-N -1 1 361.352 2.193 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000365223052 555515044 /nfs/dbraw/zinc/51/50/44/555515044.db2.gz SYXGKFDEVNIZAU-OCCSQVGLSA-N -1 1 363.462 2.449 20 0 FEADMM CO[C@@]1(C)CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000366221061 555785337 /nfs/dbraw/zinc/78/53/37/555785337.db2.gz DOMQMXUOUOSPAZ-IBGZPJMESA-N -1 1 356.426 2.123 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2OC(C)C)c1 ZINC000513796731 561950140 /nfs/dbraw/zinc/95/01/40/561950140.db2.gz ZTOWQWDYNPNBSH-UHFFFAOYSA-N -1 1 353.396 2.332 20 0 FEADMM CCCOC1(C[N-]S(=O)(=O)c2cc(C(=O)OC)co2)CCCCC1 ZINC000513845975 561952376 /nfs/dbraw/zinc/95/23/76/561952376.db2.gz FIVGPMUVCXRKHI-UHFFFAOYSA-N -1 1 359.444 2.474 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(-c3nc[nH]n3)c1)OCO2 ZINC000366438344 555843583 /nfs/dbraw/zinc/84/35/83/555843583.db2.gz YRJXZMMQUUJVNZ-UHFFFAOYSA-N -1 1 358.379 2.310 20 0 FEADMM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000366611484 555890194 /nfs/dbraw/zinc/89/01/94/555890194.db2.gz VTTVXYREBRUJLB-AWEZNQCLSA-N -1 1 354.414 2.258 20 0 FEADMM Cc1nc([C@H]2CCCCN2C(=O)N=c2[n-]nc(C(F)(F)F)s2)n[nH]1 ZINC000366981287 555988608 /nfs/dbraw/zinc/98/86/08/555988608.db2.gz KANAMLOQKXWRGQ-SSDOTTSWSA-N -1 1 361.353 2.743 20 0 FEADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1c(F)ccc([O-])c1F ZINC000514891712 561985294 /nfs/dbraw/zinc/98/52/94/561985294.db2.gz WPKOAMPBUBQCBF-JTQLQIEISA-N -1 1 359.332 2.199 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2C[C@@H](C)O[C@H](C)C2)n[n-]1 ZINC000514956853 561988864 /nfs/dbraw/zinc/98/88/64/561988864.db2.gz XELKCAHNKRTDNK-BZPMIXESSA-N -1 1 366.462 2.388 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2C[C@@H](C)O[C@H](C)C2)[n-]1 ZINC000514956853 561988866 /nfs/dbraw/zinc/98/88/66/561988866.db2.gz XELKCAHNKRTDNK-BZPMIXESSA-N -1 1 366.462 2.388 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2C[C@@H](C)O[C@H](C)C2)n1 ZINC000514956853 561988868 /nfs/dbraw/zinc/98/88/68/561988868.db2.gz XELKCAHNKRTDNK-BZPMIXESSA-N -1 1 366.462 2.388 20 0 FEADMM CCCc1nc([C@H]([N-]S(=O)(=O)CC(C)(C)OC)c2ccccc2)no1 ZINC000368132193 556227005 /nfs/dbraw/zinc/22/70/05/556227005.db2.gz PYINTIOUIRTVOX-OAHLLOKOSA-N -1 1 367.471 2.456 20 0 FEADMM CC(C)Cc1n[n-]c(=NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000368399598 556296896 /nfs/dbraw/zinc/29/68/96/556296896.db2.gz KMEZGEUGIFDLTD-ZDUSSCGKSA-N -1 1 357.443 2.766 20 0 FEADMM COC(=O)c1cn([C@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)nn1 ZINC000368419841 556303854 /nfs/dbraw/zinc/30/38/54/556303854.db2.gz OVWHXXKJVBJBIJ-AWEZNQCLSA-N -1 1 366.377 2.011 20 0 FEADMM O=C(N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1[O-] ZINC000368465722 556318300 /nfs/dbraw/zinc/31/83/00/556318300.db2.gz IMYDUKYNGGUUKQ-OAHLLOKOSA-N -1 1 366.396 2.458 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000368726799 556399331 /nfs/dbraw/zinc/39/93/31/556399331.db2.gz FHDBZYQPRZAJFO-YPMHNXCESA-N -1 1 368.227 2.365 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccnc2-n2cccn2)c(=O)[n-]1 ZINC000368744831 556403614 /nfs/dbraw/zinc/40/36/14/556403614.db2.gz UKJHZPSKXLKFHC-UHFFFAOYSA-N -1 1 370.438 2.365 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](N4CCCCC4=O)C3)cnc2n1 ZINC000369252459 556550561 /nfs/dbraw/zinc/55/05/61/556550561.db2.gz VKSRUXFJPKZUOM-AWEZNQCLSA-N -1 1 368.437 2.261 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](N3CCCCC3=O)C1)c2=O ZINC000369252459 556550565 /nfs/dbraw/zinc/55/05/65/556550565.db2.gz VKSRUXFJPKZUOM-AWEZNQCLSA-N -1 1 368.437 2.261 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](OCc4ccncc4)C3)cnc2n1 ZINC000369345406 556575184 /nfs/dbraw/zinc/57/51/84/556575184.db2.gz KWDQTXXUZJQHMI-OAHLLOKOSA-N -1 1 364.405 2.470 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](OCc3ccncc3)C1)c2=O ZINC000369345406 556575186 /nfs/dbraw/zinc/57/51/86/556575186.db2.gz KWDQTXXUZJQHMI-OAHLLOKOSA-N -1 1 364.405 2.470 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)no1 ZINC000370015021 556758387 /nfs/dbraw/zinc/75/83/87/556758387.db2.gz BHIALNVZVKGBGK-GFCCVEGCSA-N -1 1 359.430 2.499 20 0 FEADMM CN(CCC(=O)[O-])C(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000370723006 556948979 /nfs/dbraw/zinc/94/89/79/556948979.db2.gz QVJWCPDLNOATFI-INIZCTEOSA-N -1 1 371.437 2.487 20 0 FEADMM CCc1oc2ccccc2c1C=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370857737 556993138 /nfs/dbraw/zinc/99/31/38/556993138.db2.gz ACWOSHPKJYWTRQ-WAVCKPEOSA-N -1 1 353.382 2.122 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000370863505 556994326 /nfs/dbraw/zinc/99/43/26/556994326.db2.gz WGYZCCSUGXVJGB-OAHLLOKOSA-N -1 1 364.405 2.292 20 0 FEADMM C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@@H](c5nn[n-]n5)C4)cc3c2C1 ZINC000370871011 556997206 /nfs/dbraw/zinc/99/72/06/556997206.db2.gz XFXHBRYCHWAEQX-PIGZYNQJSA-N -1 1 366.425 2.020 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCOc2c(C)cccc2C)o1 ZINC000517414386 562089608 /nfs/dbraw/zinc/08/96/08/562089608.db2.gz JBYMOTNJBWGVFQ-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)n1 ZINC000371350180 557156198 /nfs/dbraw/zinc/15/61/98/557156198.db2.gz QLFIVMDYZSQFTD-CYBMUJFWSA-N -1 1 351.410 2.151 20 0 FEADMM CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000371655299 557253252 /nfs/dbraw/zinc/25/32/52/557253252.db2.gz JZFWJMONCMPZOV-CYBMUJFWSA-N -1 1 368.441 2.471 20 0 FEADMM COc1cc(NC(=O)C[C@H](C)n2cccc2)ccc1[N-]S(C)(=O)=O ZINC000517882721 562099814 /nfs/dbraw/zinc/09/98/14/562099814.db2.gz SGBZGXQIPABDRB-LBPRGKRZSA-N -1 1 351.428 2.458 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@H](c3ccco3)C2)c(=O)[n-]1 ZINC000371890771 557320886 /nfs/dbraw/zinc/32/08/86/557320886.db2.gz WTYJNLXGNFAPRM-AWEZNQCLSA-N -1 1 363.439 2.338 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1 ZINC000518389574 562110339 /nfs/dbraw/zinc/11/03/39/562110339.db2.gz UQLKHLWOLHQGRR-UHFFFAOYSA-N -1 1 365.407 2.035 20 0 FEADMM CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1Cl ZINC000518710595 562116877 /nfs/dbraw/zinc/11/68/77/562116877.db2.gz FMGWMZGCOUTTTB-UHFFFAOYSA-N -1 1 371.802 2.136 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1 ZINC000372605863 557518726 /nfs/dbraw/zinc/51/87/26/557518726.db2.gz LDGNILDZGRHPAO-UHFFFAOYSA-N -1 1 358.379 2.059 20 0 FEADMM Cc1ccc(Br)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000372944178 557593658 /nfs/dbraw/zinc/59/36/58/557593658.db2.gz IYKYNHLEGBLYBK-JTQLQIEISA-N -1 1 350.220 2.290 20 0 FEADMM O=S(=O)(Cc1nc(-c2ccoc2)no1)c1nc(-c2ccccc2)n[n-]1 ZINC000519864130 562147128 /nfs/dbraw/zinc/14/71/28/562147128.db2.gz SHAOYPOPAFMVSN-UHFFFAOYSA-N -1 1 357.351 2.089 20 0 FEADMM O=S(=O)(Cc1nc(-c2ccoc2)no1)c1n[n-]c(-c2ccccc2)n1 ZINC000519864130 562147129 /nfs/dbraw/zinc/14/71/29/562147129.db2.gz SHAOYPOPAFMVSN-UHFFFAOYSA-N -1 1 357.351 2.089 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(COc3ccccn3)CC1)c2=O ZINC000373300008 557668711 /nfs/dbraw/zinc/66/87/11/557668711.db2.gz BQPDJRSZEQWATO-UHFFFAOYSA-N -1 1 367.409 2.000 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000373317592 557671296 /nfs/dbraw/zinc/67/12/96/557671296.db2.gz JXHSBCZUOGWMCL-INTQDDNPSA-N -1 1 351.332 2.127 20 0 FEADMM ClC(Cl)(Cl)c1nc(=NC[C@H]2COC3(CCOCC3)O2)s[n-]1 ZINC000373367660 557680417 /nfs/dbraw/zinc/68/04/17/557680417.db2.gz DEHLBZUURPMNLJ-ZETCQYMHSA-N -1 1 374.677 2.121 20 0 FEADMM O=C1N=NCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000373412216 557689104 /nfs/dbraw/zinc/68/91/04/557689104.db2.gz JMYXYLFLHJSWTO-UHFFFAOYSA-N -1 1 356.407 2.262 20 0 FEADMM C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1ncccc1[O-] ZINC000373517090 557709806 /nfs/dbraw/zinc/70/98/06/557709806.db2.gz SLJNTSXPTBRGRE-QAPCUYQASA-N -1 1 355.438 2.149 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3cnccn3)ccc2C)co1 ZINC000373654472 557731975 /nfs/dbraw/zinc/73/19/75/557731975.db2.gz MXLWQPFJJCXPLJ-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C(N)=O ZINC000520700700 562161991 /nfs/dbraw/zinc/16/19/91/562161991.db2.gz CYLAPJYPATVVBO-UHFFFAOYSA-N -1 1 363.420 2.205 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCN[C@@H](c2cccnc2)C1 ZINC000374362546 557871992 /nfs/dbraw/zinc/87/19/92/557871992.db2.gz FSEBTXDIESBGKR-CQSZACIVSA-N -1 1 362.227 2.336 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000374465203 557887275 /nfs/dbraw/zinc/88/72/75/557887275.db2.gz PROVKLQBVHNJJP-AWEZNQCLSA-N -1 1 355.394 2.429 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3coc(-c4ccc(F)c(F)c4)n3)ccnc1-2 ZINC000374714005 557920338 /nfs/dbraw/zinc/92/03/38/557920338.db2.gz IDGWJAGLHYHRQD-IWIPYMOSSA-N -1 1 369.331 2.456 20 0 FEADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000521233912 562172615 /nfs/dbraw/zinc/17/26/15/562172615.db2.gz WSQJSHUYTAKSAY-UHFFFAOYSA-N -1 1 367.224 2.493 20 0 FEADMM Cc1ncsc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000521282926 562173670 /nfs/dbraw/zinc/17/36/70/562173670.db2.gz YGFDEOLPESCTJO-UHFFFAOYSA-N -1 1 371.484 2.394 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1Cl ZINC000375576029 558051606 /nfs/dbraw/zinc/05/16/06/558051606.db2.gz DWGLRHMNDMEVRA-WCQYABFASA-N -1 1 372.874 2.061 20 0 FEADMM CO[C@@H](C)c1nc(=NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)s[n-]1 ZINC000375697530 558069164 /nfs/dbraw/zinc/06/91/64/558069164.db2.gz NUWQBGWUTNKYBF-DZGCQCFKSA-N -1 1 360.483 2.171 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C3(CCC3)C2)co1 ZINC000376031941 558116386 /nfs/dbraw/zinc/11/63/86/558116386.db2.gz YNWHAQAADZIMPS-UHFFFAOYSA-N -1 1 360.435 2.265 20 0 FEADMM C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000376174901 558136941 /nfs/dbraw/zinc/13/69/41/558136941.db2.gz UWQNQDVZKFIMEC-VWYCJHECSA-N -1 1 350.410 2.280 20 0 FEADMM C[C@@H](OCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1nccn1C ZINC000376619517 558198776 /nfs/dbraw/zinc/19/87/76/558198776.db2.gz WYELVGLAKAGRJO-CQSZACIVSA-N -1 1 371.437 2.325 20 0 FEADMM O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)c(F)c([O-])c1F ZINC000376894206 558235438 /nfs/dbraw/zinc/23/54/38/558235438.db2.gz GPZZBMQDVMWSGQ-GWCFXTLKSA-N -1 1 358.360 2.040 20 0 FEADMM CCCCCCNC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000377056033 558256793 /nfs/dbraw/zinc/25/67/93/558256793.db2.gz IZVFZYRDPXIIHR-UHFFFAOYSA-N -1 1 351.451 2.451 20 0 FEADMM COc1cc(NC(=O)NCCc2cccs2)ccc1[N-]S(C)(=O)=O ZINC000521952120 562187311 /nfs/dbraw/zinc/18/73/11/562187311.db2.gz FJUPQPLCRHTGNK-UHFFFAOYSA-N -1 1 369.468 2.492 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccncc2)[nH]c1=O ZINC000377474503 558346902 /nfs/dbraw/zinc/34/69/02/558346902.db2.gz BUEIVIUELLDEFV-UHFFFAOYSA-N -1 1 350.260 2.238 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000522545867 562199701 /nfs/dbraw/zinc/19/97/01/562199701.db2.gz LKCOLFZNCSNHJX-DOMZBBRYSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000377840554 558432836 /nfs/dbraw/zinc/43/28/36/558432836.db2.gz STQUPESOOLBERV-VIFPVBQESA-N -1 1 353.366 2.308 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCN(c2cccnc2)C1 ZINC000377968214 558453953 /nfs/dbraw/zinc/45/39/53/558453953.db2.gz SKIWMBWQWAILCO-CYBMUJFWSA-N -1 1 355.442 2.192 20 0 FEADMM O=C(NC1CCN(C(=O)c2cccc(O)c2)CC1)c1cc(F)ccc1[O-] ZINC000378368499 558540716 /nfs/dbraw/zinc/54/07/16/558540716.db2.gz VIWQIZYHZUNCLN-UHFFFAOYSA-N -1 1 358.369 2.272 20 0 FEADMM O=C(CCCc1ccc2ccccc2c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000378438516 558557342 /nfs/dbraw/zinc/55/73/42/558557342.db2.gz JNKKPAMAXAPKJA-KRWDZBQOSA-N -1 1 351.410 2.276 20 0 FEADMM Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cncc([O-])c3)no2)cn1 ZINC000378545291 558579711 /nfs/dbraw/zinc/57/97/11/558579711.db2.gz BDZHBJYCTFLRJY-OAHLLOKOSA-N -1 1 368.397 2.328 20 0 FEADMM C[C@H]1CSC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000397912758 558625753 /nfs/dbraw/zinc/62/57/53/558625753.db2.gz CBXSWXOASFRENJ-OIBJUYFYSA-N -1 1 363.220 2.478 20 0 FEADMM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)o2)CCO[C@H]1C1CC1 ZINC000408214825 558656915 /nfs/dbraw/zinc/65/69/15/558656915.db2.gz MRTLNLXVWBZXKT-NWDGAFQWSA-N -1 1 350.234 2.278 20 0 FEADMM COc1cc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)cc(Cl)c1[O-] ZINC000408431083 558676785 /nfs/dbraw/zinc/67/67/85/558676785.db2.gz CBIICUNSMKBAMB-UHFFFAOYSA-N -1 1 369.849 2.272 20 0 FEADMM Cn1cc([N-]S(=O)(=O)c2cccc(Br)c2F)ccc1=O ZINC000410371594 558753610 /nfs/dbraw/zinc/75/36/10/558753610.db2.gz GCTRBIGUGLCEQL-UHFFFAOYSA-N -1 1 361.192 2.088 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)cs1 ZINC000525533466 562249990 /nfs/dbraw/zinc/24/99/90/562249990.db2.gz GWUIGCHSACZQGX-UHFFFAOYSA-N -1 1 352.393 2.132 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(OC)c1OC ZINC000525751624 562253969 /nfs/dbraw/zinc/25/39/69/562253969.db2.gz BPBCQPRSXAANFK-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(c3ccccc3)(C(C)C)C2)co1 ZINC000412808181 559056967 /nfs/dbraw/zinc/05/69/67/559056967.db2.gz MFCDSHWNADTVST-UHFFFAOYSA-N -1 1 362.451 2.238 20 0 FEADMM CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000414356124 559158239 /nfs/dbraw/zinc/15/82/39/559158239.db2.gz YLMXVFDDFMCXRX-UHFFFAOYSA-N -1 1 368.480 2.199 20 0 FEADMM CC1=CCN(CCNC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000414647314 559177024 /nfs/dbraw/zinc/17/70/24/559177024.db2.gz SWMCZZXFDPIMEV-SFHVURJKSA-N -1 1 359.470 2.414 20 0 FEADMM Cc1cccc(-c2n[nH]cc2CN[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000414665586 559178380 /nfs/dbraw/zinc/17/83/80/559178380.db2.gz UQBACFMSWKHNIM-SJLPKXTDSA-N -1 1 370.453 2.185 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1C ZINC000527108671 562276834 /nfs/dbraw/zinc/27/68/34/562276834.db2.gz RYRIDDJRLHYTRQ-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000416183823 559296871 /nfs/dbraw/zinc/29/68/71/559296871.db2.gz ZCUVMYUOEFZYMG-TZMCWYRMSA-N -1 1 373.409 2.325 20 0 FEADMM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416216706 559299072 /nfs/dbraw/zinc/29/90/72/559299072.db2.gz BFIYRQQUQNUYMV-NSHDSACASA-N -1 1 367.789 2.010 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000416470699 559315593 /nfs/dbraw/zinc/31/55/93/559315593.db2.gz NFVYVKDKXQHCSS-OKZBNKHCSA-N -1 1 374.462 2.031 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2cc(C)ccc2OC)c1 ZINC000416550836 559321307 /nfs/dbraw/zinc/32/13/07/559321307.db2.gz SJVUIFMKAXFXCT-NSHDSACASA-N -1 1 353.396 2.423 20 0 FEADMM CCOc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc(Cl)c1OC ZINC000417586183 559368133 /nfs/dbraw/zinc/36/81/33/559368133.db2.gz ARNJEVNHUNUUAW-AWEZNQCLSA-N -1 1 353.806 2.396 20 0 FEADMM Cn1cc([C@@H](NCc2cc(Br)cc3c2OCC3)C(=O)[O-])cn1 ZINC000417598875 559368858 /nfs/dbraw/zinc/36/88/58/559368858.db2.gz OJSNMNUSOXQSAW-CYBMUJFWSA-N -1 1 366.215 2.033 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(F)c(S(C)(=O)=O)c1 ZINC000421147788 559526693 /nfs/dbraw/zinc/52/66/93/559526693.db2.gz FQDDQAZCDDLTQK-LBPRGKRZSA-N -1 1 367.464 2.032 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2ncn(C)n2)cc1 ZINC000421155080 559527217 /nfs/dbraw/zinc/52/72/17/559527217.db2.gz NRMXWRZFURCKRS-HNNXBMFYSA-N -1 1 352.460 2.285 20 0 FEADMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000421234837 559532836 /nfs/dbraw/zinc/53/28/36/559532836.db2.gz GCJDCSCACHSQND-QWHCGFSZSA-N -1 1 371.437 2.363 20 0 FEADMM NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000421922614 559556810 /nfs/dbraw/zinc/55/68/10/559556810.db2.gz QDCBXTIVJMHHSY-MGCOHNPYSA-N -1 1 355.232 2.176 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl ZINC000424069703 559653582 /nfs/dbraw/zinc/65/35/82/559653582.db2.gz QKTURILHXHUAGP-UHFFFAOYSA-N -1 1 355.243 2.259 20 0 FEADMM CN(C)C(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000424266568 559660010 /nfs/dbraw/zinc/66/00/10/559660010.db2.gz XBDQMUBQCNUGLS-MRXNPFEDSA-N -1 1 361.442 2.046 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)[O-] ZINC000424388404 559662547 /nfs/dbraw/zinc/66/25/47/559662547.db2.gz KAZKLSIBYYGTQQ-INIZCTEOSA-N -1 1 369.506 2.068 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NC1CCN(Cc2ccccn2)CC1)C(=O)[O-] ZINC000424389674 559662706 /nfs/dbraw/zinc/66/27/06/559662706.db2.gz COMNYVBWEUJTHT-HNNXBMFYSA-N -1 1 362.474 2.092 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCC(C)(C)C(=O)OC(C)(C)C)c2=O ZINC000424948351 559680926 /nfs/dbraw/zinc/68/09/26/559680926.db2.gz ILYCTKXCVGFMRC-UHFFFAOYSA-N -1 1 362.430 2.162 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]2O)cc1 ZINC000425054651 559685304 /nfs/dbraw/zinc/68/53/04/559685304.db2.gz BUEVGIZYTLSKEA-IAGOWNOFSA-N -1 1 360.435 2.049 20 0 FEADMM CN1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000425181054 559689781 /nfs/dbraw/zinc/68/97/81/559689781.db2.gz GIQJKOFXDXOFJF-ZETCQYMHSA-N -1 1 357.284 2.202 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c(F)c1 ZINC000425187409 559690042 /nfs/dbraw/zinc/69/00/42/559690042.db2.gz JRWFJGVCYXUTRK-UHFFFAOYSA-N -1 1 365.295 2.469 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(F)c1 ZINC000425219966 559691929 /nfs/dbraw/zinc/69/19/29/559691929.db2.gz UCQUJZMAHSJPTI-VXGBXAGGSA-N -1 1 360.426 2.199 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC(CS(C)(=O)=O)CC2)n[n-]1)c1ccccc1 ZINC000425265464 559694070 /nfs/dbraw/zinc/69/40/70/559694070.db2.gz DTKVTLYNRBHFJF-OAHLLOKOSA-N -1 1 374.510 2.911 20 0 FEADMM Cc1onc(-c2cccnc2)c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293537 559695002 /nfs/dbraw/zinc/69/50/02/559695002.db2.gz BYZXQIYEXSBWND-GFCCVEGCSA-N -1 1 355.354 2.153 20 0 FEADMM O=C([C@@H]1COCC[C@@H]1c1ccccc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425323605 559696599 /nfs/dbraw/zinc/69/65/99/559696599.db2.gz PKRBETXIHDIISP-HZPDHXFCSA-N -1 1 357.410 2.302 20 0 FEADMM C[C@H]1[C@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CCN1c1ccccc1 ZINC000425327077 559697028 /nfs/dbraw/zinc/69/70/28/559697028.db2.gz VFJICCHFUSLFJV-XJKSGUPXSA-N -1 1 356.426 2.396 20 0 FEADMM Cn1c(CNC(=O)c2nc3ccccc3c(=O)[n-]2)nc2cc(Cl)ccc21 ZINC000426063666 559728716 /nfs/dbraw/zinc/72/87/16/559728716.db2.gz UKDDMLVZICAJLR-UHFFFAOYSA-N -1 1 367.796 2.393 20 0 FEADMM Cc1ccc([C@H](CNC(=O)c2ncc(C)cc2[O-])N2CCOCC2)cc1 ZINC000426640953 559739364 /nfs/dbraw/zinc/73/93/64/559739364.db2.gz WLUSMBYOJRDJBD-KRWDZBQOSA-N -1 1 355.438 2.207 20 0 FEADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)[nH]c2c1 ZINC000427625943 559758984 /nfs/dbraw/zinc/75/89/84/559758984.db2.gz JLPTYWOPEDKCNF-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)c1 ZINC000427986406 559767132 /nfs/dbraw/zinc/76/71/32/559767132.db2.gz ZQNSZEKAPDLWPU-UHFFFAOYSA-N -1 1 368.393 2.441 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCn3c(=O)[nH]c4ccccc43)cnc2n1 ZINC000428104093 559769753 /nfs/dbraw/zinc/76/97/53/559769753.db2.gz URGSRALFRIGWMO-UHFFFAOYSA-N -1 1 363.377 2.129 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCn1c3ccccc3[nH]c1=O)c2=O ZINC000428104093 559769754 /nfs/dbraw/zinc/76/97/54/559769754.db2.gz URGSRALFRIGWMO-UHFFFAOYSA-N -1 1 363.377 2.129 20 0 FEADMM C[C@H](Cc1cc(Br)ccc1F)Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000428141702 559770353 /nfs/dbraw/zinc/77/03/53/559770353.db2.gz QCMJAJRPQQYALC-SSDOTTSWSA-N -1 1 366.194 2.377 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@H]1CCO ZINC000428628631 559780063 /nfs/dbraw/zinc/78/00/63/559780063.db2.gz KLUJGVXZPIDGQG-KRWDZBQOSA-N -1 1 374.462 2.474 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)c1 ZINC000431167417 559835137 /nfs/dbraw/zinc/83/51/37/559835137.db2.gz CTGUDAHXXRGSTA-UHFFFAOYSA-N -1 1 369.374 2.134 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c[nH]1 ZINC000432495318 559859732 /nfs/dbraw/zinc/85/97/32/559859732.db2.gz HQYRZKDDHSSLFH-UHFFFAOYSA-N -1 1 374.378 2.441 20 0 FEADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2C(=O)CCC2=O)cc1 ZINC000432767533 559864191 /nfs/dbraw/zinc/86/41/91/559864191.db2.gz ILFBHVOBDVJRSR-UHFFFAOYSA-N -1 1 373.434 2.207 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCC(F)(F)F)c2)n1 ZINC000432964684 559868855 /nfs/dbraw/zinc/86/88/55/559868855.db2.gz ITHJZDAMXYICDX-UHFFFAOYSA-N -1 1 371.319 2.010 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cc(C(=O)[O-])ccc1O)C[C@@H](C)O2 ZINC000433496149 559883009 /nfs/dbraw/zinc/88/30/09/559883009.db2.gz CYZYYHVGBQGQGL-LLVKDONJSA-N -1 1 363.391 2.375 20 0 FEADMM CC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c2ccccc2O1 ZINC000433515054 559883344 /nfs/dbraw/zinc/88/33/44/559883344.db2.gz ALKLWWLERVZLPS-LBPRGKRZSA-N -1 1 363.391 2.457 20 0 FEADMM COc1cc(S(=O)(=O)Nc2cc(F)ccc2O)cc(C(=O)[O-])c1OC ZINC000433840352 559888658 /nfs/dbraw/zinc/88/86/58/559888658.db2.gz DGUZBHKVHRINPI-UHFFFAOYSA-N -1 1 371.342 2.048 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H]3C[C@@H]3C)c2)n1 ZINC000434102940 559894294 /nfs/dbraw/zinc/89/42/94/559894294.db2.gz VZMSXEOBYJQEPX-FZMZJTMJSA-N -1 1 357.414 2.104 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000435142092 559917136 /nfs/dbraw/zinc/91/71/36/559917136.db2.gz TXFSXQGDTRRQQA-OAHLLOKOSA-N -1 1 358.419 2.294 20 0 FEADMM Cn1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000435434183 559922887 /nfs/dbraw/zinc/92/28/87/559922887.db2.gz RHMQNYLITLJTBX-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(SC)cc2)o1 ZINC000435592485 559925710 /nfs/dbraw/zinc/92/57/10/559925710.db2.gz HOUQXRFXWKMCDR-UHFFFAOYSA-N -1 1 355.437 2.309 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1C ZINC000435731266 559929041 /nfs/dbraw/zinc/92/90/41/559929041.db2.gz IWRGRZPYMXTKQY-UHFFFAOYSA-N -1 1 373.438 2.303 20 0 FEADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000435973728 559933240 /nfs/dbraw/zinc/93/32/40/559933240.db2.gz PBAGSVCHIQYFOU-UHFFFAOYSA-N -1 1 373.434 2.142 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)OC)n2)n1 ZINC000436140024 559936008 /nfs/dbraw/zinc/93/60/08/559936008.db2.gz GWUFTCRRSNPJAM-UHFFFAOYSA-N -1 1 362.411 2.047 20 0 FEADMM Cc1nc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cn2n1 ZINC000436477356 559942415 /nfs/dbraw/zinc/94/24/15/559942415.db2.gz LHVBOCALLFNWNV-UHFFFAOYSA-N -1 1 366.786 2.190 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 ZINC000436501848 559943253 /nfs/dbraw/zinc/94/32/53/559943253.db2.gz AWZOLNOECUVTRD-HNNXBMFYSA-N -1 1 360.366 2.165 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cn2cc(-c3ccccc3)nn2)c1 ZINC000436504165 559943375 /nfs/dbraw/zinc/94/33/75/559943375.db2.gz KEKXNFNVILRKEX-UHFFFAOYSA-N -1 1 352.350 2.076 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)c1 ZINC000436503074 559943448 /nfs/dbraw/zinc/94/34/48/559943448.db2.gz FMANVMFRXBCLPP-CQSZACIVSA-N -1 1 371.393 2.225 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000436508337 559943763 /nfs/dbraw/zinc/94/37/63/559943763.db2.gz ZEEXHXQWSNNSSF-LBPRGKRZSA-N -1 1 372.352 2.310 20 0 FEADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1c([O-])cccc1F ZINC000436512191 559943922 /nfs/dbraw/zinc/94/39/22/559943922.db2.gz JXXCSAOMJIHFAZ-IJEWVQPXSA-N -1 1 354.381 2.418 20 0 FEADMM NC(=O)[C@H](CNC(=O)c1cc(F)ccc1[O-])Cc1ccccc1Cl ZINC000436553197 559945104 /nfs/dbraw/zinc/94/51/04/559945104.db2.gz CGKBJDAFXBEIEI-NSHDSACASA-N -1 1 350.777 2.259 20 0 FEADMM O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccc(O)cc1[O-] ZINC000436615958 559946673 /nfs/dbraw/zinc/94/66/73/559946673.db2.gz CBIRQHUNCWAGDV-UHFFFAOYSA-N -1 1 362.407 2.038 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(Br)ccc1[O-] ZINC000436657637 559947907 /nfs/dbraw/zinc/94/79/07/559947907.db2.gz JQSYKOSLDILTPU-MRVPVSSYSA-N -1 1 370.121 2.379 20 0 FEADMM O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000436676348 559948656 /nfs/dbraw/zinc/94/86/56/559948656.db2.gz ONNNAKBJWKXHBF-INIZCTEOSA-N -1 1 356.397 2.495 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(CC(F)(F)F)C(=O)C1 ZINC000436687604 559948719 /nfs/dbraw/zinc/94/87/19/559948719.db2.gz RSMDGASUANBQFV-UHFFFAOYSA-N -1 1 352.312 2.392 20 0 FEADMM Cc1ccc(C(=O)N2CCC(NC(=O)C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436685050 559948800 /nfs/dbraw/zinc/94/88/00/559948800.db2.gz AJPDHDVNERKEMW-UHFFFAOYSA-N -1 1 366.417 2.304 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2[O-])o1 ZINC000436693175 559949004 /nfs/dbraw/zinc/94/90/04/559949004.db2.gz RDGRLURCPJMRPE-UHFFFAOYSA-N -1 1 354.156 2.464 20 0 FEADMM COc1c(CNC(=O)c2cc(Br)ccc2[O-])c(C)nn1C ZINC000436724712 559949980 /nfs/dbraw/zinc/94/99/80/559949980.db2.gz UCEAGVVCNOBCFH-UHFFFAOYSA-N -1 1 354.204 2.135 20 0 FEADMM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436734607 559950413 /nfs/dbraw/zinc/95/04/13/559950413.db2.gz KFMHANZVTJSFKN-LBPRGKRZSA-N -1 1 361.419 2.246 20 0 FEADMM COc1ccc(F)cc1CN1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436737211 559950644 /nfs/dbraw/zinc/95/06/44/559950644.db2.gz PPXUEFQUDOKZIU-UHFFFAOYSA-N -1 1 372.396 2.067 20 0 FEADMM CCNC(=O)COc1cccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436815811 559952874 /nfs/dbraw/zinc/95/28/74/559952874.db2.gz YMOJOTXNKOAPBI-UHFFFAOYSA-N -1 1 362.813 2.491 20 0 FEADMM O=C(c1cc(F)cc(Br)c1[O-])N1CCN(CC2CC2)CC1 ZINC000436848473 559954027 /nfs/dbraw/zinc/95/40/27/559954027.db2.gz OTDATRMODRSNOV-UHFFFAOYSA-N -1 1 357.223 2.462 20 0 FEADMM Cn1nnc2ccc(C(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)cc21 ZINC000436904582 559956012 /nfs/dbraw/zinc/95/60/12/559956012.db2.gz XMPGAJBFBMIZIM-UHFFFAOYSA-N -1 1 369.772 2.365 20 0 FEADMM Cn1nnc2ccc(C(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)cc21 ZINC000436904582 559956013 /nfs/dbraw/zinc/95/60/13/559956013.db2.gz XMPGAJBFBMIZIM-UHFFFAOYSA-N -1 1 369.772 2.365 20 0 FEADMM CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)C1=O ZINC000436917381 559956394 /nfs/dbraw/zinc/95/63/94/559956394.db2.gz YZGSNNLQFUIPDC-CQSZACIVSA-N -1 1 355.350 2.185 20 0 FEADMM NC(=O)[C@H](CNC(=O)c1c([O-])cccc1F)Cc1ccccc1Cl ZINC000436981663 559958395 /nfs/dbraw/zinc/95/83/95/559958395.db2.gz CTZKFOJDZIQHRW-NSHDSACASA-N -1 1 350.777 2.259 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1C ZINC000438224751 559975921 /nfs/dbraw/zinc/97/59/21/559975921.db2.gz QEQLVEYDGMFORX-UHFFFAOYSA-N -1 1 352.416 2.048 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)[C@H](O)Cc3ccccc3)cnc2n1 ZINC000438357581 559977947 /nfs/dbraw/zinc/97/79/47/559977947.db2.gz LTENWIQKHBGYFR-SUMWQHHRSA-N -1 1 351.406 2.366 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1)c2=O ZINC000438357581 559977948 /nfs/dbraw/zinc/97/79/48/559977948.db2.gz LTENWIQKHBGYFR-SUMWQHHRSA-N -1 1 351.406 2.366 20 0 FEADMM CCOCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000438724271 559982813 /nfs/dbraw/zinc/98/28/13/559982813.db2.gz PZWRHSWEENAPAR-UHFFFAOYSA-N -1 1 360.435 2.310 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2C[C@H](OC)C2(C)C)cc1[N-]S(C)(=O)=O ZINC000440275980 560007951 /nfs/dbraw/zinc/00/79/51/560007951.db2.gz LKJNAURZFBRXSH-KBPBESRZSA-N -1 1 371.459 2.002 20 0 FEADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442763425 560056686 /nfs/dbraw/zinc/05/66/86/560056686.db2.gz RWLHGIXRSTZZOJ-JTQLQIEISA-N -1 1 366.386 2.482 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(O)cc1 ZINC000443131770 560072028 /nfs/dbraw/zinc/07/20/28/560072028.db2.gz PDJUMZKLZDGYKZ-CQSZACIVSA-N -1 1 365.769 2.404 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)o1 ZINC000443238604 560075710 /nfs/dbraw/zinc/07/57/10/560075710.db2.gz WFJIRKWQUXEJBY-AWEZNQCLSA-N -1 1 367.423 2.248 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@H]1CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000443265237 560076768 /nfs/dbraw/zinc/07/67/68/560076768.db2.gz AJHDWOZRDGQWBQ-CPCISQLKSA-N -1 1 374.673 2.323 20 0 FEADMM COc1cc(C(=O)N(C)Cc2nc([C@@H](C)OC)no2)cc(Cl)c1[O-] ZINC000443279757 560077569 /nfs/dbraw/zinc/07/75/69/560077569.db2.gz ZWXMPSSHTTUZHI-MRVPVSSYSA-N -1 1 355.778 2.417 20 0 FEADMM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3F)c2O1 ZINC000443406820 560083267 /nfs/dbraw/zinc/08/32/67/560083267.db2.gz NUCBFUMZMMDGHW-UHFFFAOYSA-N -1 1 364.398 2.439 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000443403601 560083343 /nfs/dbraw/zinc/08/33/43/560083343.db2.gz BLXKWZUMCLJELQ-UHFFFAOYSA-N -1 1 361.423 2.077 20 0 FEADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2O1 ZINC000443465073 560084748 /nfs/dbraw/zinc/08/47/48/560084748.db2.gz MWSQAMXUADQBPC-MRXNPFEDSA-N -1 1 365.382 2.493 20 0 FEADMM COc1cc(NC(=O)CCc2nc(C)cs2)ccc1[N-]S(C)(=O)=O ZINC000443952883 560097173 /nfs/dbraw/zinc/09/71/73/560097173.db2.gz YZJUVBLFRYAXSK-UHFFFAOYSA-N -1 1 369.468 2.403 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1ccccc1 ZINC000445045943 560127317 /nfs/dbraw/zinc/12/73/17/560127317.db2.gz UEIILQSWTYKBIQ-KRWDZBQOSA-N -1 1 356.403 2.427 20 0 FEADMM O=S(=O)(NCCc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000445465206 560132374 /nfs/dbraw/zinc/13/23/74/560132374.db2.gz XKNFXMNTFTWFQB-UHFFFAOYSA-N -1 1 363.370 2.102 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1F ZINC000446149927 560140810 /nfs/dbraw/zinc/14/08/10/560140810.db2.gz QZRKAFBTOAECMC-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1Cl ZINC000446377844 560145261 /nfs/dbraw/zinc/14/52/61/560145261.db2.gz WLHULZPIKHNGTQ-SSDOTTSWSA-N -1 1 352.181 2.215 20 0 FEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000447071438 560155910 /nfs/dbraw/zinc/15/59/10/560155910.db2.gz YPWXZCHCLCSYPF-UHFFFAOYSA-N -1 1 364.471 2.351 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)c1 ZINC000447277945 560159401 /nfs/dbraw/zinc/15/94/01/560159401.db2.gz LTQBWJKLARRZMS-UHFFFAOYSA-N -1 1 372.402 2.126 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCCC(C)=O)c2)n1 ZINC000447672056 560166350 /nfs/dbraw/zinc/16/63/50/560166350.db2.gz OTZRDBXHUWKNHZ-UHFFFAOYSA-N -1 1 358.398 2.024 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H]3CCCCO3)c2)n1 ZINC000447681742 560166669 /nfs/dbraw/zinc/16/66/69/560166669.db2.gz REXNJHIKINRSOO-HNNXBMFYSA-N -1 1 372.425 2.224 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)COC(C)(C)C)c2)n1 ZINC000447677695 560166840 /nfs/dbraw/zinc/16/68/40/560166840.db2.gz HDGUGTYBAJNBMC-UHFFFAOYSA-N -1 1 360.414 2.080 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccc(F)c(C)c1 ZINC000447751380 560168436 /nfs/dbraw/zinc/16/84/36/560168436.db2.gz AMNABNSCVLYLJY-HNNXBMFYSA-N -1 1 352.387 2.030 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000447750171 560168473 /nfs/dbraw/zinc/16/84/73/560168473.db2.gz HVQFEMSRQROAQO-MRXNPFEDSA-N -1 1 367.398 2.417 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448177335 560179846 /nfs/dbraw/zinc/17/98/46/560179846.db2.gz FHBDVYBDIJTTNO-OAHLLOKOSA-N -1 1 354.472 2.092 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2c[nH]nc2-c2ccoc2)c1Br ZINC000448317054 560183812 /nfs/dbraw/zinc/18/38/12/560183812.db2.gz CYKTXKZBBXIRBY-UHFFFAOYSA-N -1 1 350.176 2.970 20 0 FEADMM CCc1nc([C@@H](C)NC(=O)c2cc(Br)c(F)cc2[O-])n[nH]1 ZINC000450303356 560257679 /nfs/dbraw/zinc/25/76/79/560257679.db2.gz YFCWJYJFAPARHQ-ZCFIWIBFSA-N -1 1 357.183 2.465 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)Cc2ccc(C(=O)OCC)cc2)n[nH]1 ZINC000450978720 560280916 /nfs/dbraw/zinc/28/09/16/560280916.db2.gz MWSPCEGFGPZUJF-UHFFFAOYSA-N -1 1 351.428 2.481 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1 ZINC000451118083 560288025 /nfs/dbraw/zinc/28/80/25/560288025.db2.gz WUEUDXVIZXXGAJ-UHFFFAOYSA-N -1 1 366.443 2.220 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CSC3CC3)c2)n1 ZINC000451286814 560298139 /nfs/dbraw/zinc/29/81/39/560298139.db2.gz OXFJKNPDXFINQI-UHFFFAOYSA-N -1 1 360.439 2.160 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H]1CCCOC1 ZINC000451385050 560303829 /nfs/dbraw/zinc/30/38/29/560303829.db2.gz PZHQMLGRDJYWBJ-ONGXEEELSA-N -1 1 367.876 2.038 20 0 FEADMM CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCCCC1 ZINC000451777934 560328051 /nfs/dbraw/zinc/32/80/51/560328051.db2.gz XHMKDTMCFAWPPG-UHFFFAOYSA-N -1 1 364.389 2.173 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(OC)c2ccccc2)o1 ZINC000451821088 560330704 /nfs/dbraw/zinc/33/07/04/560330704.db2.gz CEDSYHUKPOPKNL-KRWDZBQOSA-N -1 1 367.423 2.296 20 0 FEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOCC1 ZINC000451942661 560339751 /nfs/dbraw/zinc/33/97/51/560339751.db2.gz TWTRREFBPWCBLV-UHFFFAOYSA-N -1 1 374.267 2.055 20 0 FEADMM Cc1csc([C@H](NC(=O)c2c[n-]c3c(cnn3C)c2=O)C(F)(F)F)n1 ZINC000452234572 560355966 /nfs/dbraw/zinc/35/59/66/560355966.db2.gz IVLDTMZEIKARAU-JTQLQIEISA-N -1 1 371.344 2.472 20 0 FEADMM C[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000452708003 560371833 /nfs/dbraw/zinc/37/18/33/560371833.db2.gz KWXMASNKEOWRLP-KSSFIOAISA-N -1 1 374.462 2.473 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000452856135 560376399 /nfs/dbraw/zinc/37/63/99/560376399.db2.gz WHURLSVCJMJTHL-GDBMZVCRSA-N -1 1 360.458 2.162 20 0 FEADMM CCCSc1nc(=NC(=O)NCc2n[nH]c(C(C)(C)C)n2)s[n-]1 ZINC000459451740 560687084 /nfs/dbraw/zinc/68/70/84/560687084.db2.gz LTPWQGKOWOYKCT-UHFFFAOYSA-N -1 1 355.493 2.199 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(CCn3ccc4ccccc43)no2)o1 ZINC000460147920 560736425 /nfs/dbraw/zinc/73/64/25/560736425.db2.gz FITOKVLTCGPVQY-UHFFFAOYSA-N -1 1 372.406 2.435 20 0 FEADMM COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC000460208681 560738062 /nfs/dbraw/zinc/73/80/62/560738062.db2.gz ZRGMRKHNPBJANR-CQSZACIVSA-N -1 1 373.434 2.258 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000460427774 560743556 /nfs/dbraw/zinc/74/35/56/560743556.db2.gz QGHNSPJKBZHFSE-UHFFFAOYSA-N -1 1 372.435 2.288 20 0 FEADMM COc1cc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000460500728 560745010 /nfs/dbraw/zinc/74/50/10/560745010.db2.gz CHDQFIJYPDPACZ-UHFFFAOYSA-N -1 1 370.814 2.095 20 0 FEADMM CO[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCOC1 ZINC000460915946 560755573 /nfs/dbraw/zinc/75/55/73/560755573.db2.gz XXWULTRSDVZQDD-LBPRGKRZSA-N -1 1 373.780 2.443 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000461454558 560772013 /nfs/dbraw/zinc/77/20/13/560772013.db2.gz UBCHQTZUXIMNTF-VIFPVBQESA-N -1 1 370.377 2.321 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(F)cc2Cl)c1 ZINC000461463364 560772812 /nfs/dbraw/zinc/77/28/12/560772812.db2.gz IYHUIVBQUMTLAE-UHFFFAOYSA-N -1 1 372.805 2.274 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2Cl)c1 ZINC000461467261 560773029 /nfs/dbraw/zinc/77/30/29/560773029.db2.gz ZOZNHDSGTJFPHS-UHFFFAOYSA-N -1 1 354.815 2.135 20 0 FEADMM CC(C)(NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1nn[n-]n1 ZINC000461632626 560778151 /nfs/dbraw/zinc/77/81/51/560778151.db2.gz GBEJKPURUOTIKB-QWRGUYRKSA-N -1 1 350.220 2.117 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CC12CCC(CC1)C2 ZINC000462066007 560794676 /nfs/dbraw/zinc/79/46/76/560794676.db2.gz QBZXPMDVCJBYNT-BFHRDPOASA-N -1 1 366.483 2.056 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1OC ZINC000463377079 560811835 /nfs/dbraw/zinc/81/18/35/560811835.db2.gz MBZWPUXKMVGBDQ-UHFFFAOYSA-N -1 1 352.416 2.199 20 0 FEADMM O=C(NCc1nc(=O)[n-][nH]1)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000463702795 560821915 /nfs/dbraw/zinc/82/19/15/560821915.db2.gz BWBBHXKHSPXDBT-UHFFFAOYSA-N -1 1 353.386 2.032 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000464347322 560839545 /nfs/dbraw/zinc/83/95/45/560839545.db2.gz ARQZHFDSRRMBCW-LSDHHAIUSA-N -1 1 360.458 2.303 20 0 FEADMM COC(=O)C1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000464482710 560843013 /nfs/dbraw/zinc/84/30/13/560843013.db2.gz PKRFUOJJZCTWNF-UHFFFAOYSA-N -1 1 374.418 2.379 20 0 FEADMM COCCc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000468201915 560924632 /nfs/dbraw/zinc/92/46/32/560924632.db2.gz OHESJDZHPLFJRB-UHFFFAOYSA-N -1 1 354.366 2.186 20 0 FEADMM Cc1cc(C(=O)Nc2cccnc2OC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468382592 560928368 /nfs/dbraw/zinc/92/83/68/560928368.db2.gz KAGRDPXJNVXFHK-UHFFFAOYSA-N -1 1 355.354 2.179 20 0 FEADMM COC(=O)c1cnc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)cn1 ZINC000469894843 560968288 /nfs/dbraw/zinc/96/82/88/560968288.db2.gz ZYUPXFMLHSXAJZ-UHFFFAOYSA-N -1 1 373.369 2.482 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)s1 ZINC000470236801 560977215 /nfs/dbraw/zinc/97/72/15/560977215.db2.gz IYIBQTYATJSCLI-UHFFFAOYSA-N -1 1 353.404 2.485 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000470979444 560995818 /nfs/dbraw/zinc/99/58/18/560995818.db2.gz JQJUEVFLERRXBO-NXEZZACHSA-N -1 1 353.304 2.007 20 0 FEADMM Cc1ccc(C(=O)c2ccccc2C(=O)NC2(c3nn[n-]n3)CC2)cc1C ZINC000470988306 560995991 /nfs/dbraw/zinc/99/59/91/560995991.db2.gz DLNAQQZTAWAHHP-UHFFFAOYSA-N -1 1 361.405 2.467 20 0 FEADMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471508764 561006002 /nfs/dbraw/zinc/00/60/02/561006002.db2.gz WXFFUTHWWITLNK-YFKPBYRVSA-N -1 1 374.615 2.081 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(CCOC)CCCC2)o1 ZINC000472334739 561024488 /nfs/dbraw/zinc/02/44/88/561024488.db2.gz IUGDYGCWOXQGNO-UHFFFAOYSA-N -1 1 359.444 2.332 20 0 FEADMM COC(=O)c1cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c(C)cc1C ZINC000472964229 561038875 /nfs/dbraw/zinc/03/88/75/561038875.db2.gz RMQZSBYMQZATMH-UHFFFAOYSA-N -1 1 354.366 2.330 20 0 FEADMM C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472995547 561039789 /nfs/dbraw/zinc/03/97/89/561039789.db2.gz CIZTVVLARYLJMZ-CZUORRHYSA-N -1 1 360.435 2.083 20 0 FEADMM Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000473434498 561050021 /nfs/dbraw/zinc/05/00/21/561050021.db2.gz ZVPOTZWLBKEDFW-UHFFFAOYSA-N -1 1 373.390 2.385 20 0 FEADMM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473939504 561061286 /nfs/dbraw/zinc/06/12/86/561061286.db2.gz IYNAPHQMYXHKKO-CBAPKCEASA-N -1 1 369.245 2.326 20 0 FEADMM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473939506 561061378 /nfs/dbraw/zinc/06/13/78/561061378.db2.gz IYNAPHQMYXHKKO-VXNVDRBHSA-N -1 1 369.245 2.326 20 0 FEADMM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOC1 ZINC000473949799 561061821 /nfs/dbraw/zinc/06/18/21/561061821.db2.gz NVRJFJBZEYTBNE-GFCCVEGCSA-N -1 1 358.218 2.216 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1NC(N)=O ZINC000474308173 561070842 /nfs/dbraw/zinc/07/08/42/561070842.db2.gz GIJZAEIXFQTJHP-UHFFFAOYSA-N -1 1 357.338 2.265 20 0 FEADMM COc1ccc(NC(=O)Cc2ccc3n[nH]cc3c2)cc1[N-]S(C)(=O)=O ZINC000474689884 561080524 /nfs/dbraw/zinc/08/05/24/561080524.db2.gz BCXBYLVRKSYPKC-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000474818648 561083668 /nfs/dbraw/zinc/08/36/68/561083668.db2.gz UICSFLPAANXNKA-NEPJUHHUSA-N -1 1 366.487 2.026 20 0 FEADMM CC(C)(NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nn[n-]n1 ZINC000475011411 561087711 /nfs/dbraw/zinc/08/77/11/561087711.db2.gz VRCHSXDKTRADHH-UHFFFAOYSA-N -1 1 364.453 2.253 20 0 FEADMM COc1ccc(Nc2nc(C(=O)NC(C)(C)c3nn[n-]n3)cs2)cc1 ZINC000475015795 561087770 /nfs/dbraw/zinc/08/77/70/561087770.db2.gz KGOSSAJWVMNYES-UHFFFAOYSA-N -1 1 359.415 2.074 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C ZINC000475813613 561106015 /nfs/dbraw/zinc/10/60/15/561106015.db2.gz USWIULVQQDQJGN-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM COc1cc(NC(=O)[C@H]2CC(=O)c3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000476048917 561110271 /nfs/dbraw/zinc/11/02/71/561110271.db2.gz HXERMTZVYCHTOD-AWEZNQCLSA-N -1 1 374.418 2.375 20 0 FEADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000476485222 561120596 /nfs/dbraw/zinc/12/05/96/561120596.db2.gz ILCJNCVBGNPVKQ-UHFFFAOYSA-N -1 1 372.406 2.495 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000477017957 561134292 /nfs/dbraw/zinc/13/42/92/561134292.db2.gz HUZPAJXJSGUJCR-UHFFFAOYSA-N -1 1 371.404 2.472 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000477042758 561135019 /nfs/dbraw/zinc/13/50/19/561135019.db2.gz IPSFJHGVDCANBA-UHFFFAOYSA-N -1 1 356.773 2.460 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)c3cc(C)ccn3)no2)co1 ZINC000528266017 562319982 /nfs/dbraw/zinc/31/99/82/562319982.db2.gz IUXAJGDVSBQXKB-UHFFFAOYSA-N -1 1 362.411 2.267 20 0 FEADMM CC(C)c1nocc1C(=O)[N-]c1ncn(CC(=O)N2CCCCCC2)n1 ZINC000528361665 562325019 /nfs/dbraw/zinc/32/50/19/562325019.db2.gz ATIKFFQGBHPRIO-UHFFFAOYSA-N -1 1 360.418 2.044 20 0 FEADMM O=S(=O)([N-]CC1COC1)c1c(Cl)cc(F)cc1Br ZINC000528563551 562336676 /nfs/dbraw/zinc/33/66/76/562336676.db2.gz FDFDEKWUQUCTSL-UHFFFAOYSA-N -1 1 358.616 2.166 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000529988791 562393684 /nfs/dbraw/zinc/39/36/84/562393684.db2.gz VSMFPDXCHWJYKJ-NLNKHKNDSA-N -1 1 370.453 2.413 20 0 FEADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000530004645 562394199 /nfs/dbraw/zinc/39/41/99/562394199.db2.gz CPFVPRQXLYWFIN-LLVKDONJSA-N -1 1 372.352 2.294 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000530082793 562397478 /nfs/dbraw/zinc/39/74/78/562397478.db2.gz RCLYCAJJAJFMFN-UHFFFAOYSA-N -1 1 369.299 2.114 20 0 FEADMM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000530167106 562401089 /nfs/dbraw/zinc/40/10/89/562401089.db2.gz TXHHRVQPRUWUOF-XIKOKIGWSA-N -1 1 356.378 2.185 20 0 FEADMM COCCN1CC[C@@H](NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000530744373 562422574 /nfs/dbraw/zinc/42/25/74/562422574.db2.gz UUSHEZFNULYFSH-MRXNPFEDSA-N -1 1 372.469 2.152 20 0 FEADMM C[C@@H](Oc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cn1)c1ccccc1 ZINC000531097566 562434591 /nfs/dbraw/zinc/43/45/91/562434591.db2.gz WPDCNMBGEKHJKP-GFCCVEGCSA-N -1 1 352.398 2.400 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)[nH]n1 ZINC000532114280 562467382 /nfs/dbraw/zinc/46/73/82/562467382.db2.gz HPCCOZKIQCMHRZ-SNVBAGLBSA-N -1 1 364.427 2.445 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCSC2)c1 ZINC000532400926 562476654 /nfs/dbraw/zinc/47/66/54/562476654.db2.gz NDKGESCYSYWBRD-NSHDSACASA-N -1 1 358.485 2.114 20 0 FEADMM COc1cc(C)c([C@H](C)NC(=O)CNC2(C(=O)[O-])CCCC2)cc1OC ZINC000532880825 562491644 /nfs/dbraw/zinc/49/16/44/562491644.db2.gz AOVZQJRBNVQHAT-ZDUSSCGKSA-N -1 1 364.442 2.176 20 0 FEADMM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)c2)CN1 ZINC000532933214 562492830 /nfs/dbraw/zinc/49/28/30/562492830.db2.gz IJSKCGBHTHLUEG-AWEZNQCLSA-N -1 1 358.419 2.121 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535618456 562562711 /nfs/dbraw/zinc/56/27/11/562562711.db2.gz ZXZKRRHHSJFVII-SNVBAGLBSA-N -1 1 359.753 2.095 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC)c(CO)c1 ZINC000535707110 562564723 /nfs/dbraw/zinc/56/47/23/562564723.db2.gz AKMMQZOJDZTIOI-UHFFFAOYSA-N -1 1 364.423 2.201 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc2n[nH]cc21 ZINC000535747086 562566544 /nfs/dbraw/zinc/56/65/44/562566544.db2.gz ABLYNAJOWFBRIL-UHFFFAOYSA-N -1 1 358.379 2.003 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000536497620 562577077 /nfs/dbraw/zinc/57/70/77/562577077.db2.gz OBOVVXGAFABZLC-UHFFFAOYSA-N -1 1 353.371 2.214 20 0 FEADMM Cc1nc(SCc2nnc3n2c2ccsc2c(=O)n3C)[n-]c(=O)c1C ZINC000540712628 562591815 /nfs/dbraw/zinc/59/18/15/562591815.db2.gz KSPWYRFPKCOOHR-UHFFFAOYSA-N -1 1 374.451 2.047 20 0 FEADMM CCCN(C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000541308507 562608461 /nfs/dbraw/zinc/60/84/61/562608461.db2.gz KCEJAQUEXAJKTF-LBPRGKRZSA-N -1 1 369.270 2.384 20 0 FEADMM Cc1cc(Cc2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)no1 ZINC000545731090 562630056 /nfs/dbraw/zinc/63/00/56/562630056.db2.gz YJNYQOLTEAIGMT-UHFFFAOYSA-N -1 1 364.365 2.414 20 0 FEADMM Cc1cc([N-]S(=O)(=O)CCC2CCCCC2)nc(N2CCOCC2)n1 ZINC000556265073 674394040 /nfs/dbraw/zinc/39/40/40/674394040.db2.gz QLHPAKKQUUWCMN-UHFFFAOYSA-N -1 1 368.503 2.334 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1F)Nc1cccnc1 ZINC000556306065 674396036 /nfs/dbraw/zinc/39/60/36/674396036.db2.gz XFIBEDTVTPPDGY-UHFFFAOYSA-N -1 1 357.794 2.181 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)OC)cc(Cl)c1[O-] ZINC000601727623 567827864 /nfs/dbraw/zinc/82/78/64/567827864.db2.gz QOVQKNFYCJUKOX-DIFFPNOSSA-N -1 1 371.817 2.237 20 0 FEADMM CCOC(=O)[C@]1(C)CN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)CCO1 ZINC000601912311 567872651 /nfs/dbraw/zinc/87/26/51/567872651.db2.gz REMLEPOLLJHMGP-KRWDZBQOSA-N -1 1 371.817 2.239 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@H]2CCc3ccccc3C2)n[n-]1 ZINC000603159378 568069173 /nfs/dbraw/zinc/06/91/73/568069173.db2.gz BFEYJTHSEDTPSB-STQMWFEESA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@H]2CCc3ccccc3C2)[n-]1 ZINC000603159378 568069174 /nfs/dbraw/zinc/06/91/74/568069174.db2.gz BFEYJTHSEDTPSB-STQMWFEESA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@H]2CCc3ccccc3C2)n1 ZINC000603159378 568069175 /nfs/dbraw/zinc/06/91/75/568069175.db2.gz BFEYJTHSEDTPSB-STQMWFEESA-N -1 1 356.426 2.354 20 0 FEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC000603300454 568086588 /nfs/dbraw/zinc/08/65/88/568086588.db2.gz PYWZADUDJKWNLQ-TZMCWYRMSA-N -1 1 361.410 2.223 20 0 FEADMM COC(=O)C[C@@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000604478236 568299937 /nfs/dbraw/zinc/29/99/37/568299937.db2.gz KKCXWEVJYZOSQE-LBPRGKRZSA-N -1 1 367.471 2.089 20 0 FEADMM COc1ccc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c(OC)n1 ZINC000643269199 568457719 /nfs/dbraw/zinc/45/77/19/568457719.db2.gz IFYHEPMAJRXXJP-CQSZACIVSA-N -1 1 366.439 2.098 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2ccccc21 ZINC000738353971 598842908 /nfs/dbraw/zinc/84/29/08/598842908.db2.gz FYNVSNZRGFJLCK-UHFFFAOYSA-N -1 1 359.386 2.147 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2ccccc21 ZINC000738353971 598842910 /nfs/dbraw/zinc/84/29/10/598842910.db2.gz FYNVSNZRGFJLCK-UHFFFAOYSA-N -1 1 359.386 2.147 20 0 FEADMM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736842671 598843003 /nfs/dbraw/zinc/84/30/03/598843003.db2.gz SVVFLULLUBLDTK-UHFFFAOYSA-N -1 1 369.328 2.109 20 0 FEADMM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736842671 598843004 /nfs/dbraw/zinc/84/30/04/598843004.db2.gz SVVFLULLUBLDTK-UHFFFAOYSA-N -1 1 369.328 2.109 20 0 FEADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021748 598941846 /nfs/dbraw/zinc/94/18/46/598941846.db2.gz PXVAZHATDUDPJK-RNCFNFMXSA-N -1 1 358.764 2.340 20 0 FEADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021748 598941848 /nfs/dbraw/zinc/94/18/48/598941848.db2.gz PXVAZHATDUDPJK-RNCFNFMXSA-N -1 1 358.764 2.340 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000737285839 598949192 /nfs/dbraw/zinc/94/91/92/598949192.db2.gz WCFUSVFDTFBVQR-UHFFFAOYSA-N -1 1 369.410 2.161 20 0 FEADMM CC(C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735752119 598959160 /nfs/dbraw/zinc/95/91/60/598959160.db2.gz XSXZKWUBQJRMBS-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM Cc1cnn([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)c1 ZINC000737445754 598967197 /nfs/dbraw/zinc/96/71/97/598967197.db2.gz URRLHEUDTGTOSA-CYBMUJFWSA-N -1 1 361.413 2.156 20 0 FEADMM Cc1cnn([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)c1 ZINC000737445754 598967198 /nfs/dbraw/zinc/96/71/98/598967198.db2.gz URRLHEUDTGTOSA-CYBMUJFWSA-N -1 1 361.413 2.156 20 0 FEADMM Clc1ccc(NCCCOCC2CCOCC2)nc1-c1nnn[n-]1 ZINC000737576175 598973537 /nfs/dbraw/zinc/97/35/37/598973537.db2.gz XFMRJHIXVAWVEG-UHFFFAOYSA-N -1 1 352.826 2.160 20 0 FEADMM Clc1ccc(NCCCOCC2CCOCC2)nc1-c1nn[n-]n1 ZINC000737576175 598973539 /nfs/dbraw/zinc/97/35/39/598973539.db2.gz XFMRJHIXVAWVEG-UHFFFAOYSA-N -1 1 352.826 2.160 20 0 FEADMM CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736460765 598978903 /nfs/dbraw/zinc/97/89/03/598978903.db2.gz POJMXATYFLFXHU-UHFFFAOYSA-N -1 1 366.381 2.471 20 0 FEADMM CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736460765 598978905 /nfs/dbraw/zinc/97/89/05/598978905.db2.gz POJMXATYFLFXHU-UHFFFAOYSA-N -1 1 366.381 2.471 20 0 FEADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736480315 598989190 /nfs/dbraw/zinc/98/91/90/598989190.db2.gz MMEJPBPZEYMMPT-UHFFFAOYSA-N -1 1 352.398 2.323 20 0 FEADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736480315 598989191 /nfs/dbraw/zinc/98/91/91/598989191.db2.gz MMEJPBPZEYMMPT-UHFFFAOYSA-N -1 1 352.398 2.323 20 0 FEADMM O=C(Nc1cccnc1OCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738195170 598995128 /nfs/dbraw/zinc/99/51/28/598995128.db2.gz HXDNINWYDLOWPS-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM O=C(Nc1cccnc1OCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738195170 598995130 /nfs/dbraw/zinc/99/51/30/598995130.db2.gz HXDNINWYDLOWPS-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000738259193 598996844 /nfs/dbraw/zinc/99/68/44/598996844.db2.gz NBQKICLORLWLNX-MRXNPFEDSA-N -1 1 364.409 2.083 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000738259193 598996846 /nfs/dbraw/zinc/99/68/46/598996846.db2.gz NBQKICLORLWLNX-MRXNPFEDSA-N -1 1 364.409 2.083 20 0 FEADMM CC(C)COc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735845273 599003963 /nfs/dbraw/zinc/00/39/63/599003963.db2.gz VAULRVCOKZNDOY-UHFFFAOYSA-N -1 1 366.425 2.269 20 0 FEADMM CC(C)COc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735845273 599003965 /nfs/dbraw/zinc/00/39/65/599003965.db2.gz VAULRVCOKZNDOY-UHFFFAOYSA-N -1 1 366.425 2.269 20 0 FEADMM O=C(OCc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236212 599007054 /nfs/dbraw/zinc/00/70/54/599007054.db2.gz FHBJORWBZYUFLQ-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236212 599007056 /nfs/dbraw/zinc/00/70/56/599007056.db2.gz FHBJORWBZYUFLQ-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM CC(C)(C)OC(=O)Cc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000819928118 599094710 /nfs/dbraw/zinc/09/47/10/599094710.db2.gz IPOYBXFRHHQVJS-UHFFFAOYSA-N -1 1 353.386 2.285 20 0 FEADMM CC(C)(C)OC(=O)Cc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000819928118 599094713 /nfs/dbraw/zinc/09/47/13/599094713.db2.gz IPOYBXFRHHQVJS-UHFFFAOYSA-N -1 1 353.386 2.285 20 0 FEADMM COc1nc(Br)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000807376745 674413951 /nfs/dbraw/zinc/41/39/51/674413951.db2.gz IXFQTYUVEVINFS-UHFFFAOYSA-N -1 1 351.156 2.380 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(Cl)cc1 ZINC000736159555 599133911 /nfs/dbraw/zinc/13/39/11/599133911.db2.gz WJSMIDLPUBOSAD-SECBINFHSA-N -1 1 372.772 2.099 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(Cl)cc1 ZINC000736159555 599133913 /nfs/dbraw/zinc/13/39/13/599133913.db2.gz WJSMIDLPUBOSAD-SECBINFHSA-N -1 1 372.772 2.099 20 0 FEADMM Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737321638 599141764 /nfs/dbraw/zinc/14/17/64/599141764.db2.gz HDIYBYZAIXXTKZ-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737321638 599141766 /nfs/dbraw/zinc/14/17/66/599141766.db2.gz HDIYBYZAIXXTKZ-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM CC(=O)N(Cc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1)C(C)C ZINC000735460030 599205300 /nfs/dbraw/zinc/20/53/00/599205300.db2.gz BXKYUCFJYNJQBM-UHFFFAOYSA-N -1 1 352.402 2.157 20 0 FEADMM CC(=O)N(Cc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1)C(C)C ZINC000735460030 599205302 /nfs/dbraw/zinc/20/53/02/599205302.db2.gz BXKYUCFJYNJQBM-UHFFFAOYSA-N -1 1 352.402 2.157 20 0 FEADMM Cc1oc(NC(=O)COC(=O)C[C@H](C)n2cccc2)c(-c2nn[n-]n2)c1C ZINC000737552931 599216747 /nfs/dbraw/zinc/21/67/47/599216747.db2.gz TWFJOOXWIKBCKX-JTQLQIEISA-N -1 1 372.385 2.011 20 0 FEADMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000324326647 597314944 /nfs/dbraw/zinc/31/49/44/597314944.db2.gz ALDGUJJKAIJLGI-UHFFFAOYSA-N -1 1 350.352 2.331 20 0 FEADMM O[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)COc1ccccc1 ZINC000738383028 599273904 /nfs/dbraw/zinc/27/39/04/599273904.db2.gz MYMXEHWKKUPRBR-ZDUSSCGKSA-N -1 1 362.393 2.267 20 0 FEADMM O[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)COc1ccccc1 ZINC000738383028 599273907 /nfs/dbraw/zinc/27/39/07/599273907.db2.gz MYMXEHWKKUPRBR-ZDUSSCGKSA-N -1 1 362.393 2.267 20 0 FEADMM CC[C@@H](C)[C@@H](OC)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807706114 674424631 /nfs/dbraw/zinc/42/46/31/674424631.db2.gz HUJZWFCHFXCKEO-QNWJLWSRSA-N -1 1 352.397 2.352 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807707485 674424917 /nfs/dbraw/zinc/42/49/17/674424917.db2.gz SDGNHTMALWEKGU-OFTGVCEQSA-N -1 1 350.381 2.106 20 0 FEADMM COC1CCC(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000807706560 674424928 /nfs/dbraw/zinc/42/49/28/674424928.db2.gz PWIXVHZMDDKNHG-LFSIAQGGSA-N -1 1 364.408 2.496 20 0 FEADMM CC(=O)c1c[nH]c(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000807708591 674424931 /nfs/dbraw/zinc/42/49/31/674424931.db2.gz IUYFIUAQCPAABV-RVBZMBCESA-N -1 1 359.348 2.135 20 0 FEADMM COC1(CC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1 ZINC000807707786 674425022 /nfs/dbraw/zinc/42/50/22/674425022.db2.gz FIFCMDGUBLTHKI-GVXVVHGQSA-N -1 1 350.381 2.250 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC1(O)CCCC1 ZINC000822541793 607323833 /nfs/dbraw/zinc/32/38/33/607323833.db2.gz QPXBDYSGLPQWDT-UHFFFAOYSA-N -1 1 357.370 2.021 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC1(O)CCCC1 ZINC000822541793 607323834 /nfs/dbraw/zinc/32/38/34/607323834.db2.gz QPXBDYSGLPQWDT-UHFFFAOYSA-N -1 1 357.370 2.021 20 0 FEADMM O=S(=O)(N[C@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344528 598272494 /nfs/dbraw/zinc/27/24/94/598272494.db2.gz XKRKXRKFILWJTJ-HNNXBMFYSA-N -1 1 370.438 2.008 20 0 FEADMM O=S(=O)(N[C@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344528 598272496 /nfs/dbraw/zinc/27/24/96/598272496.db2.gz XKRKXRKFILWJTJ-HNNXBMFYSA-N -1 1 370.438 2.008 20 0 FEADMM CC(C)(C)OC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC000735634175 598351265 /nfs/dbraw/zinc/35/12/65/598351265.db2.gz VHQBLDNPVBGQSE-UHFFFAOYSA-N -1 1 374.449 2.296 20 0 FEADMM CC(C)(C)OC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC000735634175 598351266 /nfs/dbraw/zinc/35/12/66/598351266.db2.gz VHQBLDNPVBGQSE-UHFFFAOYSA-N -1 1 374.449 2.296 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000737775617 598371772 /nfs/dbraw/zinc/37/17/72/598371772.db2.gz DWKLUJHZOVZPLV-UHFFFAOYSA-N -1 1 367.319 2.279 20 0 FEADMM CCc1nn(CCOc2ccc(Cl)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706969 598378599 /nfs/dbraw/zinc/37/85/99/598378599.db2.gz NJRTWQJZSQOKMD-UHFFFAOYSA-N -1 1 374.832 2.281 20 0 FEADMM CC(C)[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc2c(c1)OCCO2 ZINC000735734554 598385315 /nfs/dbraw/zinc/38/53/15/598385315.db2.gz NOUVQSUCGVZRLX-INIZCTEOSA-N -1 1 353.386 2.237 20 0 FEADMM CC(C)[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc2c(c1)OCCO2 ZINC000735734554 598385316 /nfs/dbraw/zinc/38/53/16/598385316.db2.gz NOUVQSUCGVZRLX-INIZCTEOSA-N -1 1 353.386 2.237 20 0 FEADMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736168882 598403900 /nfs/dbraw/zinc/40/39/00/598403900.db2.gz KZTTUKGCNDFQKI-SNVBAGLBSA-N -1 1 355.402 2.051 20 0 FEADMM Cc1cc(C)cc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737249813 598504172 /nfs/dbraw/zinc/50/41/72/598504172.db2.gz DNKWILKFBPENAS-UHFFFAOYSA-N -1 1 374.404 2.437 20 0 FEADMM CN(C)C(=O)c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736754033 598573101 /nfs/dbraw/zinc/57/31/01/598573101.db2.gz SQUSZFFEFSAEJW-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM CN(C)C(=O)c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736754033 598573102 /nfs/dbraw/zinc/57/31/02/598573102.db2.gz SQUSZFFEFSAEJW-UHFFFAOYSA-N -1 1 357.805 2.229 20 0 FEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1c1ccccc1 ZINC000738302436 598578147 /nfs/dbraw/zinc/57/81/47/598578147.db2.gz WUWSXKGJSJGKBX-JTQLQIEISA-N -1 1 355.789 2.133 20 0 FEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC000738302436 598578148 /nfs/dbraw/zinc/57/81/48/598578148.db2.gz WUWSXKGJSJGKBX-JTQLQIEISA-N -1 1 355.789 2.133 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2ccccc21 ZINC000738356184 598662788 /nfs/dbraw/zinc/66/27/88/598662788.db2.gz YBFZJQAOOIDWBS-UHFFFAOYSA-N -1 1 359.386 2.147 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735628112 598676724 /nfs/dbraw/zinc/67/67/24/598676724.db2.gz QPUBKSUNYXKMMU-SECBINFHSA-N -1 1 365.825 2.336 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735628112 598676727 /nfs/dbraw/zinc/67/67/27/598676727.db2.gz QPUBKSUNYXKMMU-SECBINFHSA-N -1 1 365.825 2.336 20 0 FEADMM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736557119 598686204 /nfs/dbraw/zinc/68/62/04/598686204.db2.gz WWZWRFJMSVBEFJ-UHFFFAOYSA-N -1 1 361.402 2.217 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737320480 598691857 /nfs/dbraw/zinc/69/18/57/598691857.db2.gz LGAWZMCIEQQXIR-LLVKDONJSA-N -1 1 361.402 2.354 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000737777265 598700815 /nfs/dbraw/zinc/70/08/15/598700815.db2.gz RVWBZVXVICBEPY-JTQLQIEISA-N -1 1 351.292 2.022 20 0 FEADMM CC(C)C[C@H](C)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735761375 598718961 /nfs/dbraw/zinc/71/89/61/598718961.db2.gz NFTHMFFIEKDLDG-ZDUSSCGKSA-N -1 1 368.441 2.075 20 0 FEADMM CCC(CC)[C@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736337563 598721060 /nfs/dbraw/zinc/72/10/60/598721060.db2.gz KOZQZBIPLWXRGV-CYBMUJFWSA-N -1 1 372.429 2.086 20 0 FEADMM CCC(CC)[C@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736337563 598721062 /nfs/dbraw/zinc/72/10/62/598721062.db2.gz KOZQZBIPLWXRGV-CYBMUJFWSA-N -1 1 372.429 2.086 20 0 FEADMM COCC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000736973535 598767598 /nfs/dbraw/zinc/76/75/98/598767598.db2.gz SENGYTAOOVXGSH-UHFFFAOYSA-N -1 1 370.413 2.057 20 0 FEADMM COCC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000736973535 598767600 /nfs/dbraw/zinc/76/76/00/598767600.db2.gz SENGYTAOOVXGSH-UHFFFAOYSA-N -1 1 370.413 2.057 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)ccc1F ZINC000808128146 674443346 /nfs/dbraw/zinc/44/33/46/674443346.db2.gz GVIZPMQFYVXTFK-UHFFFAOYSA-N -1 1 365.338 2.084 20 0 FEADMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)s1 ZINC000631928346 676964559 /nfs/dbraw/zinc/96/45/59/676964559.db2.gz YFICVCAHSJPQDO-UHFFFAOYSA-N -1 1 354.379 2.023 20 0 FEADMM CCC(CC)CN(CC)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820893172 599337616 /nfs/dbraw/zinc/33/76/16/599337616.db2.gz LPNCDXDXFZAGQV-UHFFFAOYSA-N -1 1 355.439 2.453 20 0 FEADMM CCC(CC)CN(CC)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820893172 599337618 /nfs/dbraw/zinc/33/76/18/599337618.db2.gz LPNCDXDXFZAGQV-UHFFFAOYSA-N -1 1 355.439 2.453 20 0 FEADMM CC(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820038710 599343797 /nfs/dbraw/zinc/34/37/97/599343797.db2.gz QHCOQDFTMKOOPF-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM CC(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820038710 599343800 /nfs/dbraw/zinc/34/38/00/599343800.db2.gz QHCOQDFTMKOOPF-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]2CCC[C@H]21 ZINC000823601229 599359431 /nfs/dbraw/zinc/35/94/31/599359431.db2.gz WZUWROPLBYGYNH-ZWNOBZJWSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCCCc2ccccc21 ZINC000823601128 599363715 /nfs/dbraw/zinc/36/37/15/599363715.db2.gz SGMZEPIXXQWJED-UHFFFAOYSA-N -1 1 370.438 2.183 20 0 FEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCCCc2ccccc21 ZINC000823601128 599363719 /nfs/dbraw/zinc/36/37/19/599363719.db2.gz SGMZEPIXXQWJED-UHFFFAOYSA-N -1 1 370.438 2.183 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2ccccc21 ZINC000735953800 599387930 /nfs/dbraw/zinc/38/79/30/599387930.db2.gz LSFPNLXAKUJQKI-UHFFFAOYSA-N -1 1 362.397 2.122 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2ccccc21 ZINC000735953800 599387933 /nfs/dbraw/zinc/38/79/33/599387933.db2.gz LSFPNLXAKUJQKI-UHFFFAOYSA-N -1 1 362.397 2.122 20 0 FEADMM CSCC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nnc2ccccn21 ZINC000821961167 599396896 /nfs/dbraw/zinc/39/68/96/599396896.db2.gz HGQYBXUGEVYZKG-GFCCVEGCSA-N -1 1 370.442 2.086 20 0 FEADMM CSCC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nnc2ccccn21 ZINC000821961167 599396899 /nfs/dbraw/zinc/39/68/99/599396899.db2.gz HGQYBXUGEVYZKG-GFCCVEGCSA-N -1 1 370.442 2.086 20 0 FEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000737614917 599399741 /nfs/dbraw/zinc/39/97/41/599399741.db2.gz CBRZTQQQGULBFA-OAHLLOKOSA-N -1 1 350.361 2.336 20 0 FEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000737614917 599399746 /nfs/dbraw/zinc/39/97/46/599399746.db2.gz CBRZTQQQGULBFA-OAHLLOKOSA-N -1 1 350.361 2.336 20 0 FEADMM O[C@H](c1ccc(F)cc1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738386442 599435045 /nfs/dbraw/zinc/43/50/45/599435045.db2.gz KYXKRQRMLVYHAM-QGZVFWFLSA-N -1 1 354.389 2.351 20 0 FEADMM O[C@H](c1ccc(F)cc1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738386442 599435048 /nfs/dbraw/zinc/43/50/48/599435048.db2.gz KYXKRQRMLVYHAM-QGZVFWFLSA-N -1 1 354.389 2.351 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293627 599436393 /nfs/dbraw/zinc/43/63/93/599436393.db2.gz PEPFRFSBWHQYDV-TXEJJXNPSA-N -1 1 359.434 2.096 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293627 599436395 /nfs/dbraw/zinc/43/63/95/599436395.db2.gz PEPFRFSBWHQYDV-TXEJJXNPSA-N -1 1 359.434 2.096 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCCC(C)(C)CC2)cc1-c1nn[n-]n1 ZINC000821970246 599448790 /nfs/dbraw/zinc/44/87/90/599448790.db2.gz MHWHOYPGJNLBTE-UHFFFAOYSA-N -1 1 362.459 2.342 20 0 FEADMM O=S(=O)(Oc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)c1c[n-]cn1 ZINC000738338713 599481434 /nfs/dbraw/zinc/48/14/34/599481434.db2.gz IESRKYXAQRGLGV-UHFFFAOYSA-N -1 1 368.378 2.025 20 0 FEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@@H]1c1ccco1 ZINC000738354789 599481646 /nfs/dbraw/zinc/48/16/46/599481646.db2.gz KTOGOXYEDJGRSE-CQSZACIVSA-N -1 1 374.426 2.161 20 0 FEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@@H]1c1ccco1 ZINC000738354789 599481648 /nfs/dbraw/zinc/48/16/48/599481648.db2.gz KTOGOXYEDJGRSE-CQSZACIVSA-N -1 1 374.426 2.161 20 0 FEADMM O=C(COC(=O)c1cncc(C(F)(F)F)c1)[N-]C(=O)c1ccccc1 ZINC000808617511 674465575 /nfs/dbraw/zinc/46/55/75/674465575.db2.gz CFPUEJDVYAYHKW-UHFFFAOYSA-N -1 1 352.268 2.214 20 0 FEADMM Cc1cnn([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)c1 ZINC000822403066 599539818 /nfs/dbraw/zinc/53/98/18/599539818.db2.gz JXCOWLXPFMZOOM-VIFPVBQESA-N -1 1 350.839 2.323 20 0 FEADMM Cc1cnn([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)c1 ZINC000822403066 599539820 /nfs/dbraw/zinc/53/98/20/599539820.db2.gz JXCOWLXPFMZOOM-VIFPVBQESA-N -1 1 350.839 2.323 20 0 FEADMM CC[C@@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820979664 599553294 /nfs/dbraw/zinc/55/32/94/599553294.db2.gz JBYRCMRVKGFOLL-SNVBAGLBSA-N -1 1 362.459 2.484 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCCOC[C@H]1CCOC1 ZINC000823796449 599570016 /nfs/dbraw/zinc/57/00/16/599570016.db2.gz BAUKSULRKVTSPL-CYBMUJFWSA-N -1 1 354.414 2.270 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCCOC[C@H]1CCOC1 ZINC000823796449 599570019 /nfs/dbraw/zinc/57/00/19/599570019.db2.gz BAUKSULRKVTSPL-CYBMUJFWSA-N -1 1 354.414 2.270 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821919484 599570932 /nfs/dbraw/zinc/57/09/32/599570932.db2.gz BNWAIFAVZSIKED-NEPJUHHUSA-N -1 1 372.454 2.183 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821919484 599570933 /nfs/dbraw/zinc/57/09/33/599570933.db2.gz BNWAIFAVZSIKED-NEPJUHHUSA-N -1 1 372.454 2.183 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548148 599664103 /nfs/dbraw/zinc/66/41/03/599664103.db2.gz GEZJVHYYQZVPPN-SKDRFNHKSA-N -1 1 361.402 2.385 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)/C=C/C2CC2)c1-c1nn[n-]n1 ZINC000822486312 599670160 /nfs/dbraw/zinc/67/01/60/599670160.db2.gz GCGRKBLHIYHMSZ-MDZDMXLPSA-N -1 1 350.382 2.370 20 0 FEADMM CN(C[C@H](O)COc1ccc(C(=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000737409807 599719041 /nfs/dbraw/zinc/71/90/41/599719041.db2.gz YSWPISAZHYVEIY-FXAWDEMLSA-N -1 1 371.433 2.370 20 0 FEADMM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCCC[C@@H]1CC(=O)[O-])C2=O ZINC000736751985 599841287 /nfs/dbraw/zinc/84/12/87/599841287.db2.gz ZBJIPPCSKZNLLY-LPMFXHHGSA-N -1 1 365.474 2.410 20 0 FEADMM Cc1nc(CS(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)no2)cs1 ZINC000632479622 676996723 /nfs/dbraw/zinc/99/67/23/676996723.db2.gz FXVSVMRUUSZAOY-YFKPBYRVSA-N -1 1 356.351 2.034 20 0 FEADMM O=C([O-])[C@@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)CCO1 ZINC000676231600 599971881 /nfs/dbraw/zinc/97/18/81/599971881.db2.gz MNQREZUADDLIOO-SFHVURJKSA-N -1 1 354.406 2.468 20 0 FEADMM C[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736596654 600016870 /nfs/dbraw/zinc/01/68/70/600016870.db2.gz YUDXVQIGFRIWRW-MXWWQKGMSA-N -1 1 359.470 2.376 20 0 FEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000738227973 600029792 /nfs/dbraw/zinc/02/97/92/600029792.db2.gz KYMCULSQTUTDRI-CQSZACIVSA-N -1 1 373.409 2.157 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)c1[nH]nc2c1CCCC2 ZINC000738529104 600087636 /nfs/dbraw/zinc/08/76/36/600087636.db2.gz VIZANQAETJILFZ-UHFFFAOYSA-N -1 1 357.366 2.091 20 0 FEADMM O=C([O-])COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000739819290 600164969 /nfs/dbraw/zinc/16/49/69/600164969.db2.gz OKELFAAJRXNRIV-UHFFFAOYSA-N -1 1 369.782 2.382 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)n[nH]1 ZINC000738906802 600195375 /nfs/dbraw/zinc/19/53/75/600195375.db2.gz YREMPURVUQKFSX-QGZVFWFLSA-N -1 1 367.409 2.325 20 0 FEADMM C[C@](NCc1cc(=O)c(O)co1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736664707 600208617 /nfs/dbraw/zinc/20/86/17/600208617.db2.gz QZCCUUPBBRBJNS-OAHLLOKOSA-N -1 1 368.183 2.198 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000738521600 600217007 /nfs/dbraw/zinc/21/70/07/600217007.db2.gz YNIZJWXXQHEHRF-UKRRQHHQSA-N -1 1 356.426 2.243 20 0 FEADMM Cc1[nH]nc(S(=O)(=O)Nc2ccc(OC(C)C)cc2F)c1C(=O)[O-] ZINC000738829290 600235329 /nfs/dbraw/zinc/23/53/29/600235329.db2.gz PIBNAMVKJWMVAK-UHFFFAOYSA-N -1 1 357.363 2.143 20 0 FEADMM Cc1ccccc1CN1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000738773267 600285472 /nfs/dbraw/zinc/28/54/72/600285472.db2.gz RUHRFZCFQGUUCL-UHFFFAOYSA-N -1 1 358.442 2.103 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736167165 600304508 /nfs/dbraw/zinc/30/45/08/600304508.db2.gz HWIFCWLGEAUVIR-LRDDRELGSA-N -1 1 359.426 2.159 20 0 FEADMM C[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736596309 600345645 /nfs/dbraw/zinc/34/56/45/600345645.db2.gz UKMAYIHCUUWEDS-QAPCUYQASA-N -1 1 371.481 2.330 20 0 FEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736811690 600387542 /nfs/dbraw/zinc/38/75/42/600387542.db2.gz SCJHHLCOWKEGBW-RYUDHWBXSA-N -1 1 353.394 2.145 20 0 FEADMM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@@H]1CCOC1 ZINC000737069670 600508232 /nfs/dbraw/zinc/50/82/32/600508232.db2.gz NISXYVGCBZTXFT-NSHDSACASA-N -1 1 352.456 2.232 20 0 FEADMM CC[C@@](C)(NCC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000094229162 600562175 /nfs/dbraw/zinc/56/21/75/600562175.db2.gz LTVFKZWDRCPTPJ-ZUZCIYMTSA-N -1 1 357.248 2.469 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000568634314 600570935 /nfs/dbraw/zinc/57/09/35/600570935.db2.gz PMTKOBYWZZLPFC-ONGXEEELSA-N -1 1 356.444 2.213 20 0 FEADMM COc1ccc([C@H](NC(=O)[C@@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000737958118 600587778 /nfs/dbraw/zinc/58/77/78/600587778.db2.gz WXJRGRDNYPGZKR-KDOFPFPSSA-N -1 1 356.422 2.458 20 0 FEADMM CC(C)Cn1cc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cn1 ZINC000826917721 600687430 /nfs/dbraw/zinc/68/74/30/600687430.db2.gz IRUKVDDDQFLJKH-UHFFFAOYSA-N -1 1 367.427 2.193 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000832956211 600770587 /nfs/dbraw/zinc/77/05/87/600770587.db2.gz PLFHJAYFVXZPCZ-KGLIPLIRSA-N -1 1 354.472 2.234 20 0 FEADMM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000828420854 600792681 /nfs/dbraw/zinc/79/26/81/600792681.db2.gz DQHSVNBSMPVJCO-GWCFXTLKSA-N -1 1 360.863 2.045 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC[C@@H]2Cn2cncn2)c(Cl)c1 ZINC000833321651 600827990 /nfs/dbraw/zinc/82/79/90/600827990.db2.gz XWXMAYBOKGODLW-CYBMUJFWSA-N -1 1 350.806 2.173 20 0 FEADMM COC(=O)c1cc(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)cc(C(=O)[O-])c1 ZINC000831269637 601018855 /nfs/dbraw/zinc/01/88/55/601018855.db2.gz NTIPWZOHYQTUBB-LRDDRELGSA-N -1 1 360.410 2.374 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829872891 601031711 /nfs/dbraw/zinc/03/17/11/601031711.db2.gz BTAOCNSDXFHCJL-QGZVFWFLSA-N -1 1 368.455 2.323 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000630224574 601087535 /nfs/dbraw/zinc/08/75/35/601087535.db2.gz QLXPUSSWIZFBIN-CQSZACIVSA-N -1 1 361.467 2.219 20 0 FEADMM CCn1cc(CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c2ccccc21 ZINC000630225435 601088254 /nfs/dbraw/zinc/08/82/54/601088254.db2.gz VCBYJEUKQGKODD-OAHLLOKOSA-N -1 1 357.454 2.211 20 0 FEADMM Cc1ccc(OCCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1C ZINC000630221630 601096483 /nfs/dbraw/zinc/09/64/83/601096483.db2.gz AELXVWZTPWCQMH-KRWDZBQOSA-N -1 1 362.470 2.470 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 ZINC000630224283 601097346 /nfs/dbraw/zinc/09/73/46/601097346.db2.gz MTMNAUOTCXFMEO-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM CCOc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1OC ZINC000830084310 601126755 /nfs/dbraw/zinc/12/67/55/601126755.db2.gz AFTRBCZHKYPYEN-ZDUSSCGKSA-N -1 1 365.430 2.107 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000827369397 601127165 /nfs/dbraw/zinc/12/71/65/601127165.db2.gz XBSKFQIPKNOPDB-ZDUSSCGKSA-N -1 1 374.441 2.048 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 ZINC000827368375 601132479 /nfs/dbraw/zinc/13/24/79/601132479.db2.gz COWOORKFZBEFGY-LBPRGKRZSA-N -1 1 368.865 2.419 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OCC(F)F)cc2)CC1 ZINC000827369253 601194075 /nfs/dbraw/zinc/19/40/75/601194075.db2.gz SBOPFIQPJWCYJZ-LBPRGKRZSA-N -1 1 371.384 2.343 20 0 FEADMM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1(N2CCOCC2)CCCC1 ZINC000827623046 601211244 /nfs/dbraw/zinc/21/12/44/601211244.db2.gz XUCQXWRZXVWRNR-XHSDSOJGSA-N -1 1 352.475 2.027 20 0 FEADMM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000327421919 601240735 /nfs/dbraw/zinc/24/07/35/601240735.db2.gz GPHIQQJOIASRLY-YXMGTMDOSA-N -1 1 364.467 2.033 20 0 FEADMM O=C([O-])CCN(Cc1ccccc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000833234540 601279186 /nfs/dbraw/zinc/27/91/86/601279186.db2.gz YLQMLFJCOCPIOB-UHFFFAOYSA-N -1 1 369.493 2.422 20 0 FEADMM O=C([O-])NCc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000833281144 601287746 /nfs/dbraw/zinc/28/77/46/601287746.db2.gz FBITXEVARNQDMN-UHFFFAOYSA-N -1 1 356.454 2.325 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824266395 607507128 /nfs/dbraw/zinc/50/71/28/607507128.db2.gz KSPJJQRICCXMDA-GFCCVEGCSA-N -1 1 372.433 2.010 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000824266395 607507130 /nfs/dbraw/zinc/50/71/30/607507130.db2.gz KSPJJQRICCXMDA-GFCCVEGCSA-N -1 1 372.433 2.010 20 0 FEADMM O=C([O-])[C@]1(F)CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000833175702 601439328 /nfs/dbraw/zinc/43/93/28/601439328.db2.gz SQUZSBPWGVXWDJ-OTYXRUKQSA-N -1 1 352.189 2.232 20 0 FEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000648450923 601606718 /nfs/dbraw/zinc/60/67/18/601606718.db2.gz XROYVYLJVGZGAX-IBGZPJMESA-N -1 1 368.433 2.244 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)nc2C)c(C(=O)[O-])s1 ZINC000831348330 601771312 /nfs/dbraw/zinc/77/13/12/601771312.db2.gz BTILTQBZWPMCOC-UHFFFAOYSA-N -1 1 370.408 2.046 20 0 FEADMM O=S(=O)([N-]Cc1nccnc1Cl)c1sccc1Br ZINC000809380305 674492248 /nfs/dbraw/zinc/49/22/48/674492248.db2.gz LMNLNNAKZIJQHO-UHFFFAOYSA-N -1 1 368.665 2.433 20 0 FEADMM O=C([O-])N1CCC(N(CC(=O)Nc2ccc(Cl)cn2)C2CC2)CC1 ZINC000740364280 601932172 /nfs/dbraw/zinc/93/21/72/601932172.db2.gz 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1 373.891 2.084 20 0 FEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(OCCCNC(=O)[O-])CC1 ZINC000825895899 604102131 /nfs/dbraw/zinc/10/21/31/604102131.db2.gz OJSZAXLWMXSWMS-NVXWUHKLSA-N -1 1 369.506 2.162 20 0 FEADMM O=C([O-])NCCCOC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000832633056 604103214 /nfs/dbraw/zinc/10/32/14/604103214.db2.gz OIGSIQKBHNMQDV-UHFFFAOYSA-N -1 1 368.405 2.331 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000825256232 604217252 /nfs/dbraw/zinc/21/72/52/604217252.db2.gz VNILKMISJYWOQG-RWMBFGLXSA-N -1 1 363.414 2.110 20 0 FEADMM Cc1ccc2nc(CN3CCC(N(CC4CC4)C(=O)[O-])CC3)cc(=O)n2c1 ZINC000830453924 604236312 /nfs/dbraw/zinc/23/63/12/604236312.db2.gz UTZZHMKETIOYJY-UHFFFAOYSA-N -1 1 370.453 2.357 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000829555515 604259543 /nfs/dbraw/zinc/25/95/43/604259543.db2.gz BYUVLDZPFBCUCH-HOCLYGCPSA-N -1 1 363.458 2.022 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCSC[C@@H]3CC(=O)[O-])n[nH]2)c1 ZINC000832510380 604286832 /nfs/dbraw/zinc/28/68/32/604286832.db2.gz JFECQNVGRFYUAQ-LBPRGKRZSA-N -1 1 361.423 2.118 20 0 FEADMM O=C([O-])C1(NCc2c(Cl)cccc2Cl)CCS(=O)(=O)CC1 ZINC000833175821 604438918 /nfs/dbraw/zinc/43/89/18/604438918.db2.gz OSKJIGONSDPYBY-UHFFFAOYSA-N -1 1 352.239 2.115 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)cc1C(=O)[O-] ZINC000832956462 604623327 /nfs/dbraw/zinc/62/33/27/604623327.db2.gz CHFALTFLQCPISF-UHFFFAOYSA-N -1 1 358.379 2.075 20 0 FEADMM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000833411523 604662158 /nfs/dbraw/zinc/66/21/58/604662158.db2.gz PBISUDQLLFFSGP-XHDPSFHLSA-N -1 1 370.365 2.320 20 0 FEADMM CC1(C)Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2O1 ZINC000833564562 604688133 /nfs/dbraw/zinc/68/81/33/604688133.db2.gz TVAZXPZVGTYTFH-UHFFFAOYSA-N -1 1 350.352 2.088 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)CCO1 ZINC000825326176 604772376 /nfs/dbraw/zinc/77/23/76/604772376.db2.gz NIHACQROZBRBQK-CPCISQLKSA-N -1 1 363.197 2.196 20 0 FEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000825977658 604797578 /nfs/dbraw/zinc/79/75/78/604797578.db2.gz LUVWNLQYTPJHKB-MAUKXSAKSA-N -1 1 359.470 2.275 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H](N(C)C(=O)[O-])C3)n[nH]2)cc1 ZINC000829233734 604810957 /nfs/dbraw/zinc/81/09/57/604810957.db2.gz FNNHLOCDZJEUNZ-ZDUSSCGKSA-N -1 1 358.398 2.300 20 0 FEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000652498538 604928194 /nfs/dbraw/zinc/92/81/94/604928194.db2.gz LNGXNFNYCZBHHZ-AWEZNQCLSA-N -1 1 369.483 2.292 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000326877595 604946143 /nfs/dbraw/zinc/94/61/43/604946143.db2.gz ZAKKBAFFZMXNOA-OAHLLOKOSA-N -1 1 364.467 2.155 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])n[nH]1 ZINC000833512159 605003516 /nfs/dbraw/zinc/00/35/16/605003516.db2.gz JVAIVBMCXIQIDP-MRVPVSSYSA-N -1 1 372.834 2.319 20 0 FEADMM Cc1ccc(C[C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)c1 ZINC000833748607 605052273 /nfs/dbraw/zinc/05/22/73/605052273.db2.gz PQCZZXHYHCDGFZ-IAGOWNOFSA-N -1 1 361.486 2.425 20 0 FEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1OC(C)C ZINC000833727067 605106703 /nfs/dbraw/zinc/10/67/03/605106703.db2.gz OCGAXCLUMALPJR-AWEZNQCLSA-N -1 1 364.442 2.103 20 0 FEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)nn1C1CCCCC1 ZINC000833742214 605158308 /nfs/dbraw/zinc/15/83/08/605158308.db2.gz IGOOSNANHFCNAJ-OAHLLOKOSA-N -1 1 362.474 2.318 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C[C@H]1C ZINC000833655928 605161736 /nfs/dbraw/zinc/16/17/36/605161736.db2.gz HPGOJJQQFVWBPW-VXGBXAGGSA-N -1 1 363.414 2.118 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C[C@H]1C ZINC000833655161 605161995 /nfs/dbraw/zinc/16/19/95/605161995.db2.gz AOPOGILUGKYPHW-VXGBXAGGSA-N -1 1 363.414 2.118 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000833629545 605200197 /nfs/dbraw/zinc/20/01/97/605200197.db2.gz WQCRKDOPLOWRLW-NSHDSACASA-N -1 1 374.268 2.413 20 0 FEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833611048 605202235 /nfs/dbraw/zinc/20/22/35/605202235.db2.gz MFOGYTVFXRWBKO-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H]1CN(C(=O)c2csc(Br)c2)CCN1CCC(=O)[O-] ZINC000833626748 605252723 /nfs/dbraw/zinc/25/27/23/605252723.db2.gz YYMPIALNOFWVCF-SECBINFHSA-N -1 1 361.261 2.132 20 0 FEADMM CCc1cnccc1[C@H](C)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833675410 605272851 /nfs/dbraw/zinc/27/28/51/605272851.db2.gz YESISAQXEKALCZ-LIRRHRJNSA-N -1 1 367.449 2.333 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(N3CCCCCC3)nc2)CCN1CCC(=O)[O-] ZINC000833625504 605278945 /nfs/dbraw/zinc/27/89/45/605278945.db2.gz YPEXPNNBWWCYCV-INIZCTEOSA-N -1 1 374.485 2.083 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)n[nH]1 ZINC000830035947 605297409 /nfs/dbraw/zinc/29/74/09/605297409.db2.gz HTWWSMXJAOUNAK-AAEUAGOBSA-N -1 1 359.430 2.477 20 0 FEADMM CCCc1nc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)CCO2)n[nH]1 ZINC000826954235 605319705 /nfs/dbraw/zinc/31/97/05/605319705.db2.gz PACDZMFUJPLECJ-CQSZACIVSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)CCO2)n1 ZINC000826954235 605319710 /nfs/dbraw/zinc/31/97/10/605319710.db2.gz PACDZMFUJPLECJ-CQSZACIVSA-N -1 1 373.413 2.369 20 0 FEADMM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823715812 605336333 /nfs/dbraw/zinc/33/63/33/605336333.db2.gz VFJIDOAEXPLJFW-NHYWBVRUSA-N -1 1 368.397 2.394 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000825815332 605371814 /nfs/dbraw/zinc/37/18/14/605371814.db2.gz BYPYOWGZZQEWNY-DAXOMENPSA-N -1 1 366.437 2.259 20 0 FEADMM O=C([O-])NC1(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000834150776 605376671 /nfs/dbraw/zinc/37/66/71/605376671.db2.gz BBTTVPPHNWUAPR-ZDUSSCGKSA-N -1 1 361.446 2.359 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CC3(O)CCCCC3)cc2)n1 ZINC000832729048 605440014 /nfs/dbraw/zinc/44/00/14/605440014.db2.gz AJNRLPPOTAWUQX-UHFFFAOYSA-N -1 1 373.413 2.263 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CC3(O)CCCCC3)cc2)n[nH]1 ZINC000832729048 605440019 /nfs/dbraw/zinc/44/00/19/605440019.db2.gz AJNRLPPOTAWUQX-UHFFFAOYSA-N -1 1 373.413 2.263 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000833814873 605485731 /nfs/dbraw/zinc/48/57/31/605485731.db2.gz FQEZQKWYWABFDE-KKUMJFAQSA-N -1 1 364.446 2.104 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000833816226 605485928 /nfs/dbraw/zinc/48/59/28/605485928.db2.gz JZTKDMKCOXQYHW-YNEHKIRRSA-N -1 1 354.476 2.038 20 0 FEADMM O=C([O-])N1CC(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000834069457 605509575 /nfs/dbraw/zinc/50/95/75/605509575.db2.gz ZICCCHRIZKEFLK-UHFFFAOYSA-N -1 1 356.213 2.274 20 0 FEADMM CC[C@H](CSc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825125188 607764062 /nfs/dbraw/zinc/76/40/62/607764062.db2.gz BDGUPSVWOYUEBF-LLVKDONJSA-N -1 1 372.458 2.293 20 0 FEADMM CC[C@H](CSc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825125188 607764063 /nfs/dbraw/zinc/76/40/63/607764063.db2.gz BDGUPSVWOYUEBF-LLVKDONJSA-N -1 1 372.458 2.293 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NC(C)(C)CNC(=O)[O-])N2CCCC2)o1 ZINC000830261247 605600700 /nfs/dbraw/zinc/60/07/00/605600700.db2.gz AGYNDXBZJQPRHI-CYBMUJFWSA-N -1 1 352.435 2.070 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)[nH]n1 ZINC000833953898 605630847 /nfs/dbraw/zinc/63/08/47/605630847.db2.gz DSDRVERQJLNSPA-GFCCVEGCSA-N -1 1 354.370 2.148 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CCN1CCC(=O)[O-] ZINC000833623939 605766653 /nfs/dbraw/zinc/76/66/53/605766653.db2.gz SFVIPDXWAXGVHK-MAUKXSAKSA-N -1 1 360.454 2.202 20 0 FEADMM O=C([O-])N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834081711 605822931 /nfs/dbraw/zinc/82/29/31/605822931.db2.gz DZCGCXLFFUDHMD-ZIAGYGMSSA-N -1 1 370.413 2.071 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)ccc1F ZINC000833901067 605876352 /nfs/dbraw/zinc/87/63/52/605876352.db2.gz IAGWFOAOUSMUHH-UHFFFAOYSA-N -1 1 365.386 2.366 20 0 FEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000833833429 605907638 /nfs/dbraw/zinc/90/76/38/605907638.db2.gz XWSDMVIFXSJJDZ-HUUCEWRRSA-N -1 1 360.458 2.203 20 0 FEADMM O=C([O-])N(CC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834068684 605971186 /nfs/dbraw/zinc/97/11/86/605971186.db2.gz LYUMSNFNQRAPOB-CQSZACIVSA-N -1 1 355.398 2.278 20 0 FEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820697770 606139070 /nfs/dbraw/zinc/13/90/70/606139070.db2.gz LWLGFFSBFSNBMV-WDEREUQCSA-N -1 1 363.443 2.122 20 0 FEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820697770 606139071 /nfs/dbraw/zinc/13/90/71/606139071.db2.gz LWLGFFSBFSNBMV-WDEREUQCSA-N -1 1 363.443 2.122 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@]2(CCCOC2)C1 ZINC000823791671 606143161 /nfs/dbraw/zinc/14/31/61/606143161.db2.gz HSCAMYOYGBJRTK-SFHVURJKSA-N -1 1 351.414 2.207 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@]2(CCCOC2)C1 ZINC000823791671 606143162 /nfs/dbraw/zinc/14/31/62/606143162.db2.gz HSCAMYOYGBJRTK-SFHVURJKSA-N -1 1 351.414 2.207 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccccc2OCC2CC2)n1 ZINC000822620437 606156101 /nfs/dbraw/zinc/15/61/01/606156101.db2.gz QKHQCVUIXSHBCQ-UHFFFAOYSA-N -1 1 354.374 2.033 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccccc2OCC2CC2)n1 ZINC000822620437 606156102 /nfs/dbraw/zinc/15/61/02/606156102.db2.gz QKHQCVUIXSHBCQ-UHFFFAOYSA-N -1 1 354.374 2.033 20 0 FEADMM CC(C)c1ccc(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820191905 606158307 /nfs/dbraw/zinc/15/83/07/606158307.db2.gz AGFRXLLAUKSHOA-UHFFFAOYSA-N -1 1 354.418 2.088 20 0 FEADMM CC(C)c1ccc(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820191905 606158310 /nfs/dbraw/zinc/15/83/10/606158310.db2.gz AGFRXLLAUKSHOA-UHFFFAOYSA-N -1 1 354.418 2.088 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3cccc(Cl)c3)CC2)n1 ZINC000822609602 606158695 /nfs/dbraw/zinc/15/86/95/606158695.db2.gz RSWOVMNWAGMNRG-UHFFFAOYSA-N -1 1 358.793 2.064 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3cccc(Cl)c3)CC2)n1 ZINC000822609602 606158696 /nfs/dbraw/zinc/15/86/96/606158696.db2.gz RSWOVMNWAGMNRG-UHFFFAOYSA-N -1 1 358.793 2.064 20 0 FEADMM CC(C)c1ccc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820192756 606159600 /nfs/dbraw/zinc/15/96/00/606159600.db2.gz YEATUJZTACHJCL-UHFFFAOYSA-N -1 1 354.418 2.388 20 0 FEADMM CC(C)c1ccc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820192756 606159602 /nfs/dbraw/zinc/15/96/02/606159602.db2.gz YEATUJZTACHJCL-UHFFFAOYSA-N -1 1 354.418 2.388 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000822608202 606162373 /nfs/dbraw/zinc/16/23/73/606162373.db2.gz ANXDEMNRFDVLOD-CQSZACIVSA-N -1 1 366.429 2.229 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000822608202 606162375 /nfs/dbraw/zinc/16/23/75/606162375.db2.gz ANXDEMNRFDVLOD-CQSZACIVSA-N -1 1 366.429 2.229 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@]12CCOc1ccccc12 ZINC000823290635 606295667 /nfs/dbraw/zinc/29/56/67/606295667.db2.gz ZQBJGIPAKGNESP-DJJJIMSYSA-N -1 1 363.377 2.251 20 0 FEADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820641342 606345561 /nfs/dbraw/zinc/34/55/61/606345561.db2.gz BVEKDPYRLCPVCD-DGCLKSJQSA-N -1 1 352.402 2.010 20 0 FEADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820641342 606345562 /nfs/dbraw/zinc/34/55/62/606345562.db2.gz BVEKDPYRLCPVCD-DGCLKSJQSA-N -1 1 352.402 2.010 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2C[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000822486590 606392228 /nfs/dbraw/zinc/39/22/28/606392228.db2.gz PVMRQXPORQCYDE-CABCVRRESA-N -1 1 364.409 2.450 20 0 FEADMM CCCn1cc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000810189963 674536126 /nfs/dbraw/zinc/53/61/26/674536126.db2.gz XGXOJTBRAHMHAP-LLVKDONJSA-N -1 1 361.368 2.216 20 0 FEADMM CCN(CCNC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(C)c1 ZINC000821215453 606493568 /nfs/dbraw/zinc/49/35/68/606493568.db2.gz RBGVBWPASSFZBI-UHFFFAOYSA-N -1 1 356.455 2.493 20 0 FEADMM CCN(CCNC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(C)c1 ZINC000821215453 606493570 /nfs/dbraw/zinc/49/35/70/606493570.db2.gz RBGVBWPASSFZBI-UHFFFAOYSA-N -1 1 356.455 2.493 20 0 FEADMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820253455 606502945 /nfs/dbraw/zinc/50/29/45/606502945.db2.gz IRQYYMVBANHXNI-SNVBAGLBSA-N -1 1 371.422 2.408 20 0 FEADMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820253455 606502946 /nfs/dbraw/zinc/50/29/46/606502946.db2.gz IRQYYMVBANHXNI-SNVBAGLBSA-N -1 1 371.422 2.408 20 0 FEADMM NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822895031 606517246 /nfs/dbraw/zinc/51/72/46/606517246.db2.gz KYWLWWHVDGHHDV-UHFFFAOYSA-N -1 1 350.385 2.059 20 0 FEADMM NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822895031 606517248 /nfs/dbraw/zinc/51/72/48/606517248.db2.gz KYWLWWHVDGHHDV-UHFFFAOYSA-N -1 1 350.385 2.059 20 0 FEADMM CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821073431 606527982 /nfs/dbraw/zinc/52/79/82/606527982.db2.gz ZWQWEXJOXVCABN-GJZGRUSLSA-N -1 1 358.446 2.318 20 0 FEADMM CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821073431 606527983 /nfs/dbraw/zinc/52/79/83/606527983.db2.gz ZWQWEXJOXVCABN-GJZGRUSLSA-N -1 1 358.446 2.318 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000823479011 606550504 /nfs/dbraw/zinc/55/05/04/606550504.db2.gz ZOWFNFYHQQXOFX-CQSZACIVSA-N -1 1 369.450 2.402 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000823479011 606550506 /nfs/dbraw/zinc/55/05/06/606550506.db2.gz ZOWFNFYHQQXOFX-CQSZACIVSA-N -1 1 369.450 2.402 20 0 FEADMM COc1ccc(C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821786930 606553780 /nfs/dbraw/zinc/55/37/80/606553780.db2.gz LRGDNJUXUWRVTQ-JTQLQIEISA-N -1 1 373.438 2.306 20 0 FEADMM COc1ccc(C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821786930 606553781 /nfs/dbraw/zinc/55/37/81/606553781.db2.gz LRGDNJUXUWRVTQ-JTQLQIEISA-N -1 1 373.438 2.306 20 0 FEADMM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823176084 606554519 /nfs/dbraw/zinc/55/45/19/606554519.db2.gz PUCGMPWVLQHLAK-ONGXEEELSA-N -1 1 354.336 2.360 20 0 FEADMM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823176084 606554520 /nfs/dbraw/zinc/55/45/20/606554520.db2.gz PUCGMPWVLQHLAK-ONGXEEELSA-N -1 1 354.336 2.360 20 0 FEADMM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820215019 606554986 /nfs/dbraw/zinc/55/49/86/606554986.db2.gz PUIULQGXCWCNKR-LLVKDONJSA-N -1 1 372.458 2.120 20 0 FEADMM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820215019 606554987 /nfs/dbraw/zinc/55/49/87/606554987.db2.gz PUIULQGXCWCNKR-LLVKDONJSA-N -1 1 372.458 2.120 20 0 FEADMM O=C(NC[C@H](O)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823166783 606599168 /nfs/dbraw/zinc/59/91/68/606599168.db2.gz PGQXEGYFVVGGBT-VIFPVBQESA-N -1 1 367.793 2.184 20 0 FEADMM O=C(NC[C@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823166783 606599169 /nfs/dbraw/zinc/59/91/69/606599169.db2.gz PGQXEGYFVVGGBT-VIFPVBQESA-N -1 1 367.793 2.184 20 0 FEADMM CCc1nn(CCCc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518252 606607915 /nfs/dbraw/zinc/60/79/15/606607915.db2.gz SGKKYFGTQPKDGU-UHFFFAOYSA-N -1 1 352.442 2.489 20 0 FEADMM Cc1oc(NC(=O)COC(=O)/C=C2\CC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548361 606635950 /nfs/dbraw/zinc/63/59/50/606635950.db2.gz JJJWSGDHLDGLLJ-SZUMLMDFSA-N -1 1 359.386 2.305 20 0 FEADMM COc1cccc(C(C)=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821860247 606648920 /nfs/dbraw/zinc/64/89/20/606648920.db2.gz ZGJRRCFTKJVCKU-XYOKQWHBSA-N -1 1 351.366 2.417 20 0 FEADMM COc1cccc(C(C)=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821860247 606648921 /nfs/dbraw/zinc/64/89/21/606648921.db2.gz ZGJRRCFTKJVCKU-XYOKQWHBSA-N -1 1 351.366 2.417 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822240855 606764039 /nfs/dbraw/zinc/76/40/39/606764039.db2.gz BJXXEQFTRQVWLU-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM CC[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820971712 606815503 /nfs/dbraw/zinc/81/55/03/606815503.db2.gz FBEDOGCEWPFECD-TZMCWYRMSA-N -1 1 358.446 2.212 20 0 FEADMM COC(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821669429 606826639 /nfs/dbraw/zinc/82/66/39/606826639.db2.gz LJDYVFZTNKZNOC-UHFFFAOYSA-N -1 1 362.342 2.211 20 0 FEADMM COC(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821669429 606826640 /nfs/dbraw/zinc/82/66/40/606826640.db2.gz LJDYVFZTNKZNOC-UHFFFAOYSA-N -1 1 362.342 2.211 20 0 FEADMM CC(=O)CCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000819783503 606827688 /nfs/dbraw/zinc/82/76/88/606827688.db2.gz YJERMDRCWZKNTF-UHFFFAOYSA-N -1 1 357.370 2.475 20 0 FEADMM CC(=O)CCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000819783503 606827689 /nfs/dbraw/zinc/82/76/89/606827689.db2.gz YJERMDRCWZKNTF-UHFFFAOYSA-N -1 1 357.370 2.475 20 0 FEADMM CCc1nnc(Oc2cccc(-n3cncn3)c2)c(-c2nn[n-]n2)c1CC ZINC000821547758 606937831 /nfs/dbraw/zinc/93/78/31/606937831.db2.gz BIQNGGXQNGQEQN-UHFFFAOYSA-N -1 1 363.385 2.155 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820386483 606948690 /nfs/dbraw/zinc/94/86/90/606948690.db2.gz ZJOYXCLXRJIGOQ-CHWSQXEVSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820386483 606948691 /nfs/dbraw/zinc/94/86/91/606948691.db2.gz ZJOYXCLXRJIGOQ-CHWSQXEVSA-N -1 1 373.461 2.391 20 0 FEADMM CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000821565382 607036684 /nfs/dbraw/zinc/03/66/84/607036684.db2.gz QIWKNPRSQOBXKP-UHFFFAOYSA-N -1 1 369.389 2.225 20 0 FEADMM CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000821565382 607036685 /nfs/dbraw/zinc/03/66/85/607036685.db2.gz QIWKNPRSQOBXKP-UHFFFAOYSA-N -1 1 369.389 2.225 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(F)nc1 ZINC000822542252 607099329 /nfs/dbraw/zinc/09/93/29/607099329.db2.gz WOOBZJOBZSEFNE-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(F)nc1 ZINC000822542252 607099331 /nfs/dbraw/zinc/09/93/31/607099331.db2.gz WOOBZJOBZSEFNE-UHFFFAOYSA-N -1 1 353.317 2.345 20 0 FEADMM COc1ccc(S[C@@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821846527 607104897 /nfs/dbraw/zinc/10/48/97/607104897.db2.gz TXMXDRCYZCHZMW-QMMMGPOBSA-N -1 1 362.440 2.451 20 0 FEADMM COc1ccc(S[C@@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821846527 607104899 /nfs/dbraw/zinc/10/48/99/607104899.db2.gz TXMXDRCYZCHZMW-QMMMGPOBSA-N -1 1 362.440 2.451 20 0 FEADMM COCCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000821686458 607193517 /nfs/dbraw/zinc/19/35/17/607193517.db2.gz QTPMJBSCVFGXBP-UHFFFAOYSA-N -1 1 370.413 2.105 20 0 FEADMM COCCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000821686458 607193518 /nfs/dbraw/zinc/19/35/18/607193518.db2.gz QTPMJBSCVFGXBP-UHFFFAOYSA-N -1 1 370.413 2.105 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2noc(C3CC3)n2)c2ccc(Cl)cc12 ZINC000823657035 607237734 /nfs/dbraw/zinc/23/77/34/607237734.db2.gz MHEHVTRTBUOLEO-UHFFFAOYSA-N -1 1 369.772 2.144 20 0 FEADMM CCC(CC)(CO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825089738 607808773 /nfs/dbraw/zinc/80/87/73/607808773.db2.gz MDSMXPZWWCFRJQ-UHFFFAOYSA-N -1 1 372.429 2.087 20 0 FEADMM CCC(CC)(CO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825089738 607808774 /nfs/dbraw/zinc/80/87/74/607808774.db2.gz MDSMXPZWWCFRJQ-UHFFFAOYSA-N -1 1 372.429 2.087 20 0 FEADMM CCCN(c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323596 607899063 /nfs/dbraw/zinc/89/90/63/607899063.db2.gz ZMXATAWQGOCYPN-CYBMUJFWSA-N -1 1 373.461 2.488 20 0 FEADMM CCCN(c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323596 607899064 /nfs/dbraw/zinc/89/90/64/607899064.db2.gz ZMXATAWQGOCYPN-CYBMUJFWSA-N -1 1 373.461 2.488 20 0 FEADMM CCCN(c1cccc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323597 607899130 /nfs/dbraw/zinc/89/91/30/607899130.db2.gz ZMXATAWQGOCYPN-ZDUSSCGKSA-N -1 1 373.461 2.488 20 0 FEADMM CCCN(c1cccc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323597 607899131 /nfs/dbraw/zinc/89/91/31/607899131.db2.gz ZMXATAWQGOCYPN-ZDUSSCGKSA-N -1 1 373.461 2.488 20 0 FEADMM CCCN(CC(=O)Nc1ccccc1C)c1cccc(-c2nnn[n-]2)n1 ZINC000825307656 607902029 /nfs/dbraw/zinc/90/20/29/607902029.db2.gz JXVGRANCACFTON-UHFFFAOYSA-N -1 1 351.414 2.425 20 0 FEADMM CCCN(CC(=O)Nc1ccccc1C)c1cccc(-c2nn[n-]n2)n1 ZINC000825307656 607902030 /nfs/dbraw/zinc/90/20/30/607902030.db2.gz JXVGRANCACFTON-UHFFFAOYSA-N -1 1 351.414 2.425 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825212612 607904667 /nfs/dbraw/zinc/90/46/67/607904667.db2.gz SVDNKFJKOCWELH-DTWKUNHWSA-N -1 1 355.855 2.036 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825212612 607904668 /nfs/dbraw/zinc/90/46/68/607904668.db2.gz SVDNKFJKOCWELH-DTWKUNHWSA-N -1 1 355.855 2.036 20 0 FEADMM CCCCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000825296691 607906101 /nfs/dbraw/zinc/90/61/01/607906101.db2.gz SNNGVOQMZUTJBV-UHFFFAOYSA-N -1 1 359.411 2.372 20 0 FEADMM CCCCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000825296691 607906102 /nfs/dbraw/zinc/90/61/02/607906102.db2.gz SNNGVOQMZUTJBV-UHFFFAOYSA-N -1 1 359.411 2.372 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3c(F)cccc3C2)c(-c2nn[n-]n2)c1C ZINC000826341349 607943164 /nfs/dbraw/zinc/94/31/64/607943164.db2.gz FIGAODKRGJMICM-UHFFFAOYSA-N -1 1 370.388 2.212 20 0 FEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824670421 607967983 /nfs/dbraw/zinc/96/79/83/607967983.db2.gz OFZTXNZCKXRBPS-GOSISDBHSA-N -1 1 365.372 2.269 20 0 FEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824670421 607967984 /nfs/dbraw/zinc/96/79/84/607967984.db2.gz OFZTXNZCKXRBPS-GOSISDBHSA-N -1 1 365.372 2.269 20 0 FEADMM O[C@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826505381 607990877 /nfs/dbraw/zinc/99/08/77/607990877.db2.gz UKBPUXXMEJSLSY-MRXNPFEDSA-N -1 1 371.832 2.260 20 0 FEADMM O[C@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826505381 607990878 /nfs/dbraw/zinc/99/08/78/607990878.db2.gz UKBPUXXMEJSLSY-MRXNPFEDSA-N -1 1 371.832 2.260 20 0 FEADMM CC(C)COc1ncccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824271399 607997884 /nfs/dbraw/zinc/99/78/84/607997884.db2.gz NBTIZRCARXBSRQ-UHFFFAOYSA-N -1 1 354.370 2.254 20 0 FEADMM CC(=O)N(c1nc(Cn2ccnc2-c2nnn[n-]2)cs1)c1ccccc1 ZINC000823967798 608012453 /nfs/dbraw/zinc/01/24/53/608012453.db2.gz PGBPDBWWWZJQKX-UHFFFAOYSA-N -1 1 366.410 2.253 20 0 FEADMM CC(=O)N(c1nc(Cn2ccnc2-c2nn[n-]n2)cs1)c1ccccc1 ZINC000823967798 608012454 /nfs/dbraw/zinc/01/24/54/608012454.db2.gz PGBPDBWWWZJQKX-UHFFFAOYSA-N -1 1 366.410 2.253 20 0 FEADMM FC(F)(F)c1cccc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)c1 ZINC000826368815 608012761 /nfs/dbraw/zinc/01/27/61/608012761.db2.gz CBICQYGQHIQEOE-UHFFFAOYSA-N -1 1 362.275 2.180 20 0 FEADMM FC(F)(F)c1cccc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)c1 ZINC000826368815 608012762 /nfs/dbraw/zinc/01/27/62/608012762.db2.gz CBICQYGQHIQEOE-UHFFFAOYSA-N -1 1 362.275 2.180 20 0 FEADMM OC1(C(F)(F)F)CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000826505104 608017498 /nfs/dbraw/zinc/01/74/98/608017498.db2.gz MNZRMSVKLAAPKY-UHFFFAOYSA-N -1 1 364.331 2.309 20 0 FEADMM OC1(C(F)(F)F)CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000826505104 608017499 /nfs/dbraw/zinc/01/74/99/608017499.db2.gz MNZRMSVKLAAPKY-UHFFFAOYSA-N -1 1 364.331 2.309 20 0 FEADMM CCCOc1ccc(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825338888 608079257 /nfs/dbraw/zinc/07/92/57/608079257.db2.gz IVZMWXNBRUDQDO-UHFFFAOYSA-N -1 1 371.422 2.330 20 0 FEADMM CCCOc1ccc(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825338888 608079258 /nfs/dbraw/zinc/07/92/58/608079258.db2.gz IVZMWXNBRUDQDO-UHFFFAOYSA-N -1 1 371.422 2.330 20 0 FEADMM C[C@@H](CO)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824440472 608204240 /nfs/dbraw/zinc/20/42/40/608204240.db2.gz CNAINJNOJDEVEC-NSHDSACASA-N -1 1 371.372 2.251 20 0 FEADMM C[C@@H](CO)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824440472 608204242 /nfs/dbraw/zinc/20/42/42/608204242.db2.gz CNAINJNOJDEVEC-NSHDSACASA-N -1 1 371.372 2.251 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826523608 608297138 /nfs/dbraw/zinc/29/71/38/608297138.db2.gz ROLQBFJVRBVQPS-KBPBESRZSA-N -1 1 365.441 2.453 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826523608 608297140 /nfs/dbraw/zinc/29/71/40/608297140.db2.gz ROLQBFJVRBVQPS-KBPBESRZSA-N -1 1 365.441 2.453 20 0 FEADMM Cc1ccn2ncc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)c2c1 ZINC000826308641 608342949 /nfs/dbraw/zinc/34/29/49/608342949.db2.gz IXKMMGVWOCARHU-UHFFFAOYSA-N -1 1 365.401 2.027 20 0 FEADMM Cc1ccn2ncc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)c2c1 ZINC000826308641 608342951 /nfs/dbraw/zinc/34/29/51/608342951.db2.gz IXKMMGVWOCARHU-UHFFFAOYSA-N -1 1 365.401 2.027 20 0 FEADMM c1ccc(-n2nc(Sc3ccc(-c4nnn[n-]4)nn3)nc2C2CC2)cc1 ZINC000826519739 608392787 /nfs/dbraw/zinc/39/27/87/608392787.db2.gz LXWOBQABUGBHMC-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM c1ccc(-n2nc(Sc3ccc(-c4nn[n-]n4)nn3)nc2C2CC2)cc1 ZINC000826519739 608392789 /nfs/dbraw/zinc/39/27/89/608392789.db2.gz LXWOBQABUGBHMC-UHFFFAOYSA-N -1 1 363.410 2.266 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000826164959 608394102 /nfs/dbraw/zinc/39/41/02/608394102.db2.gz YTKFSJKPIUMBJM-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM COc1ccc(CC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826192055 608408482 /nfs/dbraw/zinc/40/84/82/608408482.db2.gz YDXXRMAIQSNANH-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccc(CC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826192055 608408484 /nfs/dbraw/zinc/40/84/84/608408484.db2.gz YDXXRMAIQSNANH-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM c1cc(OCC2CCOCC2)ccc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826517998 608422134 /nfs/dbraw/zinc/42/21/34/608422134.db2.gz XUCQAZXJBHEFHH-UHFFFAOYSA-N -1 1 353.386 2.206 20 0 FEADMM c1cc(OCC2CCOCC2)ccc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826517998 608422136 /nfs/dbraw/zinc/42/21/36/608422136.db2.gz XUCQAZXJBHEFHH-UHFFFAOYSA-N -1 1 353.386 2.206 20 0 FEADMM Clc1ccccc1OC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000028655443 608436860 /nfs/dbraw/zinc/43/68/60/608436860.db2.gz WGDMEJHJVQLXJI-UHFFFAOYSA-N -1 1 357.805 2.358 20 0 FEADMM Clc1ccccc1OC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000028655443 608436862 /nfs/dbraw/zinc/43/68/62/608436862.db2.gz WGDMEJHJVQLXJI-UHFFFAOYSA-N -1 1 357.805 2.358 20 0 FEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC000824731581 608456013 /nfs/dbraw/zinc/45/60/13/608456013.db2.gz XFUKYYUYPNBPIL-QMMMGPOBSA-N -1 1 368.378 2.233 20 0 FEADMM O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826492320 608492452 /nfs/dbraw/zinc/49/24/52/608492452.db2.gz DDRPIVLHCVXIOG-UHFFFAOYSA-N -1 1 369.765 2.166 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000826280104 608546096 /nfs/dbraw/zinc/54/60/96/608546096.db2.gz NPKPGCNLBNXFON-HNNXBMFYSA-N -1 1 358.446 2.125 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000825923623 608557963 /nfs/dbraw/zinc/55/79/63/608557963.db2.gz PBIFQQXEKQOAQK-LBPRGKRZSA-N -1 1 374.493 2.170 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000825923623 608557964 /nfs/dbraw/zinc/55/79/64/608557964.db2.gz PBIFQQXEKQOAQK-LBPRGKRZSA-N -1 1 374.493 2.170 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824900269 608565169 /nfs/dbraw/zinc/56/51/69/608565169.db2.gz UFKWEFDLEZSTTC-MDZLAQPJSA-N -1 1 365.434 2.348 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824900269 608565171 /nfs/dbraw/zinc/56/51/71/608565171.db2.gz UFKWEFDLEZSTTC-MDZLAQPJSA-N -1 1 365.434 2.348 20 0 FEADMM Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(-c2cccs2)n1 ZINC000826358697 608625203 /nfs/dbraw/zinc/62/52/03/608625203.db2.gz DZNPEKSHDYSCDI-UHFFFAOYSA-N -1 1 367.394 2.287 20 0 FEADMM Cc1ccc2oc(N3CCN(Cc4ccc(-c5nnn[n-]5)o4)CC3)nc2c1 ZINC000826295752 608688686 /nfs/dbraw/zinc/68/86/86/608688686.db2.gz WOYXCNQOMVHIFL-UHFFFAOYSA-N -1 1 365.397 2.232 20 0 FEADMM O=C(N[C@H]1CCCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826430916 609334712 /nfs/dbraw/zinc/33/47/12/609334712.db2.gz NHTSBCLUIAUWLC-ZDUSSCGKSA-N -1 1 354.345 2.045 20 0 FEADMM O=C(N[C@H]1CCCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826430916 609334713 /nfs/dbraw/zinc/33/47/13/609334713.db2.gz NHTSBCLUIAUWLC-ZDUSSCGKSA-N -1 1 354.345 2.045 20 0 FEADMM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000824119830 609456182 /nfs/dbraw/zinc/45/61/82/609456182.db2.gz RIQPJUCYBDFREG-UHFFFAOYSA-N -1 1 358.427 2.431 20 0 FEADMM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000824119830 609456184 /nfs/dbraw/zinc/45/61/84/609456184.db2.gz RIQPJUCYBDFREG-UHFFFAOYSA-N -1 1 358.427 2.431 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCCc3cc(F)ccc32)c1-c1nnn[n-]1 ZINC000826346783 609469221 /nfs/dbraw/zinc/46/92/21/609469221.db2.gz VVNHVKAUGAHHFK-ZDUSSCGKSA-N -1 1 356.361 2.039 20 0 FEADMM Cc1onc(CC(=O)N[C@H]2CCCc3cc(F)ccc32)c1-c1nn[n-]n1 ZINC000826346783 609469224 /nfs/dbraw/zinc/46/92/24/609469224.db2.gz VVNHVKAUGAHHFK-ZDUSSCGKSA-N -1 1 356.361 2.039 20 0 FEADMM Cc1onc(CC(=O)N2CCc3ccccc3C2(C)C)c1-c1nnn[n-]1 ZINC000826345120 609471014 /nfs/dbraw/zinc/47/10/14/609471014.db2.gz CMOFHUUWVYUGFP-UHFFFAOYSA-N -1 1 352.398 2.026 20 0 FEADMM Cc1onc(CC(=O)N2CCc3ccccc3C2(C)C)c1-c1nn[n-]n1 ZINC000826345120 609471015 /nfs/dbraw/zinc/47/10/15/609471015.db2.gz CMOFHUUWVYUGFP-UHFFFAOYSA-N -1 1 352.398 2.026 20 0 FEADMM CCC[C@H]1C[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825254460 609591082 /nfs/dbraw/zinc/59/10/82/609591082.db2.gz RTJDOEKDBUBSDB-RYUDHWBXSA-N -1 1 361.450 2.352 20 0 FEADMM CCC[C@H]1C[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825254460 609591084 /nfs/dbraw/zinc/59/10/84/609591084.db2.gz RTJDOEKDBUBSDB-RYUDHWBXSA-N -1 1 361.450 2.352 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824991742 609610575 /nfs/dbraw/zinc/61/05/75/609610575.db2.gz GICCXEJQBVFRAL-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000826341036 609623192 /nfs/dbraw/zinc/62/31/92/609623192.db2.gz UMGYTPADMDYZHW-AAEUAGOBSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000826341036 609623194 /nfs/dbraw/zinc/62/31/94/609623194.db2.gz UMGYTPADMDYZHW-AAEUAGOBSA-N -1 1 370.413 2.104 20 0 FEADMM CC(C)(C)OC(=O)CCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810906454 674567856 /nfs/dbraw/zinc/56/78/56/674567856.db2.gz WVMICBKKCRJIHP-LLVKDONJSA-N -1 1 366.380 2.025 20 0 FEADMM O=C([N-]CCCOC(=O)c1cnnc(-c2ccccc2)c1)C(F)(F)F ZINC000811287385 674592735 /nfs/dbraw/zinc/59/27/35/674592735.db2.gz YWSOAKLMVFZVPP-UHFFFAOYSA-N -1 1 353.300 2.369 20 0 FEADMM Cc1nc(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000811862790 674634187 /nfs/dbraw/zinc/63/41/87/674634187.db2.gz YFCKZASKQTWGMZ-JTQLQIEISA-N -1 1 364.393 2.052 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)NCCC2(F)CCC2)C1)C(F)(F)F ZINC000811918091 674639448 /nfs/dbraw/zinc/63/94/48/674639448.db2.gz NDOFXQXUJILCMC-NSHDSACASA-N -1 1 353.360 2.369 20 0 FEADMM O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ncccc1[O-] ZINC000561727494 674694035 /nfs/dbraw/zinc/69/40/35/674694035.db2.gz XZYVMKLTQBNOSB-UHFFFAOYSA-N -1 1 354.815 2.034 20 0 FEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000562409151 674752291 /nfs/dbraw/zinc/75/22/91/674752291.db2.gz COCNIKSYBLOWPP-OAHLLOKOSA-N -1 1 364.471 2.223 20 0 FEADMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCO1 ZINC000562462223 674759287 /nfs/dbraw/zinc/75/92/87/674759287.db2.gz LIXVGLCMBSPNTG-SECBINFHSA-N -1 1 371.261 2.132 20 0 FEADMM C[C@H]1CCN(C(=O)C[C@H](O)CC(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813636337 674763571 /nfs/dbraw/zinc/76/35/71/674763571.db2.gz VXRZJZAORXAXRW-MNXVOIDGSA-N -1 1 366.424 2.478 20 0 FEADMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000562545366 674768103 /nfs/dbraw/zinc/76/81/03/674768103.db2.gz DPRXTTYGHBZSLG-GFCCVEGCSA-N -1 1 354.403 2.109 20 0 FEADMM CCC(Nc1cccc(Cl)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814346495 674832614 /nfs/dbraw/zinc/83/26/14/674832614.db2.gz AESYFNKBUQFRKA-OUKQBFOZSA-N -1 1 367.858 2.306 20 0 FEADMM COC(=O)CC1CC(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000816261877 675040321 /nfs/dbraw/zinc/04/03/21/675040321.db2.gz YTOOIVJKCHKDPL-UHFFFAOYSA-N -1 1 354.428 2.030 20 0 FEADMM O=C(COC(=O)c1cc2c(c(Cl)c1)OCO2)[N-]C(=O)c1ccccc1 ZINC000008547119 669982531 /nfs/dbraw/zinc/98/25/31/669982531.db2.gz VDEIDKXQMLKNBK-UHFFFAOYSA-N -1 1 361.737 2.182 20 0 FEADMM CCc1ccc(CCC(=O)OCC(=O)N[N-]C(=O)c2cccs2)cc1 ZINC000021505922 670033315 /nfs/dbraw/zinc/03/33/15/670033315.db2.gz MZYDNOUFHQGUFY-UHFFFAOYSA-N -1 1 360.435 2.248 20 0 FEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024360733 670054466 /nfs/dbraw/zinc/05/44/66/670054466.db2.gz HRCIQVCVWCITQN-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000026233209 670068245 /nfs/dbraw/zinc/06/82/45/670068245.db2.gz HPVBRFPFNBJQSC-UHFFFAOYSA-N -1 1 363.395 2.139 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2)cc1 ZINC000026236257 670068469 /nfs/dbraw/zinc/06/84/69/670068469.db2.gz SMVPYNHHXAAXCX-UHFFFAOYSA-N -1 1 367.354 2.200 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CC2(Cl)Cl)c(=O)[n-]1 ZINC000030473217 670110998 /nfs/dbraw/zinc/11/09/98/670110998.db2.gz GRLPCWMARBCHIA-MRVPVSSYSA-N -1 1 350.271 2.455 20 0 FEADMM CON(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000032314302 670127070 /nfs/dbraw/zinc/12/70/70/670127070.db2.gz SQSXIFRRSJBZSE-UHFFFAOYSA-N -1 1 356.350 2.399 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000564967979 675083070 /nfs/dbraw/zinc/08/30/70/675083070.db2.gz TVSSSVLYOSWQIE-FZMZJTMJSA-N -1 1 354.834 2.007 20 0 FEADMM CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000036833161 670138104 /nfs/dbraw/zinc/13/81/04/670138104.db2.gz BZZYGIAAJXKJRE-UHFFFAOYSA-N -1 1 366.464 2.348 20 0 FEADMM Cc1ccc(C(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC000042776431 670168759 /nfs/dbraw/zinc/16/87/59/670168759.db2.gz GCKDCIZRLWGBHV-UHFFFAOYSA-N -1 1 353.421 2.468 20 0 FEADMM COC[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000044475981 670191103 /nfs/dbraw/zinc/19/11/03/670191103.db2.gz OTJQIDIDEWVVCW-ZETCQYMHSA-N -1 1 357.657 2.058 20 0 FEADMM C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801845 670195546 /nfs/dbraw/zinc/19/55/46/670195546.db2.gz XGNGIVMISZYWLK-CYBMUJFWSA-N -1 1 369.487 2.292 20 0 FEADMM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000047313066 670239460 /nfs/dbraw/zinc/23/94/60/670239460.db2.gz KYFICLAKAZGODQ-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM O=S(=O)([N-]c1cccc(OCCn2cncn2)c1)c1cccc(F)c1 ZINC000047417428 670241749 /nfs/dbraw/zinc/24/17/49/670241749.db2.gz IWEYJHJEFDGDTI-UHFFFAOYSA-N -1 1 362.386 2.297 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(=O)[nH]c(C2CC2)n1 ZINC000816952402 675089781 /nfs/dbraw/zinc/08/97/81/675089781.db2.gz JRTHWQZRDNMHHW-UHFFFAOYSA-N -1 1 351.160 2.175 20 0 FEADMM O=C1[N-]C(=S)NC(=O)C1=CNc1cc(Cl)c(Cl)cc1Cl ZINC000048403208 670261559 /nfs/dbraw/zinc/26/15/59/670261559.db2.gz AOZWOVCERQCNJM-UHFFFAOYSA-N -1 1 350.614 2.474 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c(C)c1 ZINC000050532195 670286164 /nfs/dbraw/zinc/28/61/64/670286164.db2.gz XUYHVUJGFZWROG-UHFFFAOYSA-N -1 1 360.391 2.485 20 0 FEADMM CCC(Nc1cc(C)c(Cl)cc1OC)=C1C(=O)[N-]C(=S)NC1=O ZINC000054500818 670337389 /nfs/dbraw/zinc/33/73/89/670337389.db2.gz XWEOIJBDCIQAIN-UHFFFAOYSA-N -1 1 353.831 2.264 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2cccc(Cl)c2F)C(=O)[N-]C1=S ZINC000054502453 670338025 /nfs/dbraw/zinc/33/80/25/670338025.db2.gz 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N#C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000080176650 670617527 /nfs/dbraw/zinc/61/75/27/670617527.db2.gz ZPLVVNWMUDGDPL-UWVGGRQHSA-N -1 1 357.222 2.021 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)c1 ZINC000080939996 670634588 /nfs/dbraw/zinc/63/45/88/670634588.db2.gz YLPXOAOFNCUVPH-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)CSc1nccn1C(C)(C)C ZINC000081454822 670643188 /nfs/dbraw/zinc/64/31/88/670643188.db2.gz WKRFLSIJHNTHCE-UHFFFAOYSA-N -1 1 368.532 2.363 20 0 FEADMM O=C([N-]CCCSCc1cc(=O)n2ccsc2n1)C(F)(F)F ZINC000091606320 670729293 /nfs/dbraw/zinc/72/92/93/670729293.db2.gz DWJHZPFFEKZQOR-UHFFFAOYSA-N -1 1 351.375 2.058 20 0 FEADMM CC[C@@H](C)OCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491196 675138678 /nfs/dbraw/zinc/13/86/78/675138678.db2.gz WFJUPMMHMXOWOY-DGCLKSJQSA-N -1 1 358.360 2.438 20 0 FEADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(Cn2cccn2)on1 ZINC000571067754 670810879 /nfs/dbraw/zinc/81/08/79/670810879.db2.gz 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ZINC000573985327 671189371 /nfs/dbraw/zinc/18/93/71/671189371.db2.gz PXANEPYWNDZASR-UHFFFAOYSA-N -1 1 372.270 2.415 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000574331426 671227612 /nfs/dbraw/zinc/22/76/12/671227612.db2.gz RFXJRMJBZHWSHV-UONOGXRCSA-N -1 1 350.440 2.208 20 0 FEADMM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000576701172 671387856 /nfs/dbraw/zinc/38/78/56/671387856.db2.gz HXXMNUDAOHIUKC-UHFFFAOYSA-N -1 1 363.277 2.470 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cnc(CC)s3)CC2)n1 ZINC000578719454 671684973 /nfs/dbraw/zinc/68/49/73/671684973.db2.gz XRRMRWAJHPQQKN-UHFFFAOYSA-N -1 1 363.443 2.020 20 0 FEADMM CC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCO1 ZINC000578794392 671689927 /nfs/dbraw/zinc/68/99/27/671689927.db2.gz IRTNHYJKPIDNQU-AWEZNQCLSA-N -1 1 372.487 2.244 20 0 FEADMM Cn1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(-c2cccs2)n1 ZINC000580127011 671784344 /nfs/dbraw/zinc/78/43/44/671784344.db2.gz ZUIKXVNXQGZOPU-JTQLQIEISA-N -1 1 359.411 2.257 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)s[n-]1 ZINC000580260465 671793015 /nfs/dbraw/zinc/79/30/15/671793015.db2.gz WACHTYJVSGZSOF-GXFFZTMASA-N -1 1 367.450 2.231 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@@H]1n1cccn1 ZINC000581204683 671873832 /nfs/dbraw/zinc/87/38/32/671873832.db2.gz VYZDVQBCYJGTIS-NFAWXSAZSA-N -1 1 373.837 2.373 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ocnc2C2CC2)c1 ZINC000581273354 671880491 /nfs/dbraw/zinc/88/04/91/671880491.db2.gz DOOJYQNAWVGADH-UHFFFAOYSA-N -1 1 353.375 2.194 20 0 FEADMM CC(C)(CO)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000119521968 671901486 /nfs/dbraw/zinc/90/14/86/671901486.db2.gz DVCNZKCKJCMSIW-UHFFFAOYSA-N -1 1 362.451 2.236 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc3ccccc3s2)[C@]12CCCO2 ZINC000582059781 671963532 /nfs/dbraw/zinc/96/35/32/671963532.db2.gz DPWDHCLKPCMWRO-IIAWOOMASA-N -1 1 368.480 2.301 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1)N1CCCCC1 ZINC000124723337 672001393 /nfs/dbraw/zinc/00/13/93/672001393.db2.gz XPJYVMXYPZAIIG-AWEZNQCLSA-N -1 1 359.879 2.050 20 0 FEADMM CC[C@H]1CCCCN1C(=O)CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000582526148 672009259 /nfs/dbraw/zinc/00/92/59/672009259.db2.gz PMVVHUJTGXUQLN-AWEZNQCLSA-N -1 1 362.455 2.037 20 0 FEADMM CC[C@H]1CCCCN1C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000582526148 672009262 /nfs/dbraw/zinc/00/92/62/672009262.db2.gz PMVVHUJTGXUQLN-AWEZNQCLSA-N -1 1 362.455 2.037 20 0 FEADMM CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1=O ZINC000583383330 672089724 /nfs/dbraw/zinc/08/97/24/672089724.db2.gz ADCBGLZDUBEQJW-LLVKDONJSA-N -1 1 355.232 2.284 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1cccnc1 ZINC000583544191 672104980 /nfs/dbraw/zinc/10/49/80/672104980.db2.gz SNJIVWUJWRLZAT-CYBMUJFWSA-N -1 1 350.758 2.093 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Cl)nn1 ZINC000133514561 672111501 /nfs/dbraw/zinc/11/15/01/672111501.db2.gz VOJDSLCJPDSLMQ-UHFFFAOYSA-N -1 1 372.834 2.076 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CCNC3=O)cc1C ZINC000583680791 672116923 /nfs/dbraw/zinc/11/69/23/672116923.db2.gz MRGYXPLIEMMPKN-UHFFFAOYSA-N -1 1 360.435 2.480 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(CC2CC2)CC1 ZINC000147556965 672150884 /nfs/dbraw/zinc/15/08/84/672150884.db2.gz KAPCYRGRXRVNEL-UHFFFAOYSA-N -1 1 365.499 2.006 20 0 FEADMM Cn1cncc1CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000584403503 672184191 /nfs/dbraw/zinc/18/41/91/672184191.db2.gz MWBZGEGHDKPDKZ-UHFFFAOYSA-N -1 1 361.199 2.366 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc(Cl)c1[O-] ZINC000153805074 672205019 /nfs/dbraw/zinc/20/50/19/672205019.db2.gz XSMDXHOGTPOMDJ-CQSZACIVSA-N -1 1 368.861 2.381 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1C)c1ccccc1F ZINC000610702116 675990182 /nfs/dbraw/zinc/99/01/82/675990182.db2.gz HSFOYWBCHXZHJR-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1F ZINC000610702981 675990471 /nfs/dbraw/zinc/99/04/71/675990471.db2.gz UGWUVKRYZACLSN-OAHLLOKOSA-N -1 1 355.362 2.299 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(-n2cccn2)ccn1 ZINC000156328188 672244860 /nfs/dbraw/zinc/24/48/60/672244860.db2.gz VWBDOQAGEGLWNQ-UHFFFAOYSA-N -1 1 360.171 2.383 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)OC(C)(C)C ZINC000157932061 672264267 /nfs/dbraw/zinc/26/42/67/672264267.db2.gz LWMJMJNTXMMZCD-UWVGGRQHSA-N -1 1 365.883 2.108 20 0 FEADMM Cc1cccc2nc(CNC(=O)CSc3n[n-]c(=S)s3)[nH]c21 ZINC000160394103 672290600 /nfs/dbraw/zinc/29/06/00/672290600.db2.gz KZVDLFGDDIWSCO-UHFFFAOYSA-N -1 1 351.482 2.420 20 0 FEADMM CCCNC(=O)C1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000172236569 672340377 /nfs/dbraw/zinc/34/03/77/672340377.db2.gz QMWKJHLMQMPJNS-UHFFFAOYSA-N -1 1 360.487 2.198 20 0 FEADMM Cc1nn(C)cc1NC(=O)c1cc(I)ccc1[O-] ZINC000172626226 672343727 /nfs/dbraw/zinc/34/37/27/672343727.db2.gz ZJMPMXORHWCNSY-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM O=C([N-]S(=O)(=O)CCSc1ccccc1)c1cccc2cn[nH]c21 ZINC000174792675 672363346 /nfs/dbraw/zinc/36/33/46/672363346.db2.gz KKUZGJMBGXCKOO-UHFFFAOYSA-N -1 1 361.448 2.415 20 0 FEADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000178671402 672394017 /nfs/dbraw/zinc/39/40/17/672394017.db2.gz ZYJMHRNMDCPOBU-CQSZACIVSA-N -1 1 361.341 2.124 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000178956296 672397519 /nfs/dbraw/zinc/39/75/19/672397519.db2.gz UIPVVGBZAXYZRJ-UHFFFAOYSA-N -1 1 353.375 2.240 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C12CCCC2 ZINC000611082739 676015722 /nfs/dbraw/zinc/01/57/22/676015722.db2.gz UUBDBDNANKOFBG-QWHCGFSZSA-N -1 1 357.428 2.082 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2OC)c1 ZINC000611081994 676015739 /nfs/dbraw/zinc/01/57/39/676015739.db2.gz RTFICVVYGLDFCV-UHFFFAOYSA-N -1 1 367.423 2.331 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(C)ccc2Br)n[nH]1 ZINC000183413787 672467890 /nfs/dbraw/zinc/46/78/90/672467890.db2.gz IYQRFOWUBLTHMG-UHFFFAOYSA-N -1 1 352.192 2.256 20 0 FEADMM Cn1nnc2ccc(C(=O)N[N-]C(=O)c3c(Cl)cccc3Cl)cc21 ZINC000183715247 672478004 /nfs/dbraw/zinc/47/80/04/672478004.db2.gz IWYAKWJWXQACHA-UHFFFAOYSA-N -1 1 364.192 2.350 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000588944981 672495309 /nfs/dbraw/zinc/49/53/09/672495309.db2.gz GCIWNTLCRCHGOL-UHFFFAOYSA-N -1 1 354.815 2.392 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1 ZINC000589150269 672509711 /nfs/dbraw/zinc/50/97/11/672509711.db2.gz XXWFVAAHKXKDKT-UHFFFAOYSA-N -1 1 358.423 2.257 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1cccc(I)c1 ZINC000590397867 672578080 /nfs/dbraw/zinc/57/80/80/672578080.db2.gz HYIHUDOYGUHOHJ-UHFFFAOYSA-N -1 1 357.151 2.210 20 0 FEADMM Cc1ccc2c(CC[N-]S(=O)(=O)c3ncn(C)c3Cl)cn(C)c2c1 ZINC000188710070 672596059 /nfs/dbraw/zinc/59/60/59/672596059.db2.gz WOPWQWFEBQTADK-UHFFFAOYSA-N -1 1 366.874 2.395 20 0 FEADMM COC1(c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)CCC1 ZINC000680798456 672602036 /nfs/dbraw/zinc/60/20/36/672602036.db2.gz PYBCKJHEHXMBOH-UHFFFAOYSA-N -1 1 355.416 2.432 20 0 FEADMM Cc1cnc(N)c(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])c1 ZINC000681561667 672672938 /nfs/dbraw/zinc/67/29/38/672672938.db2.gz KOWFYLLEEZBRRS-UHFFFAOYSA-N -1 1 355.803 2.433 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3cc(F)c(C)cc3C(=O)[O-])cc12 ZINC000681578891 672676967 /nfs/dbraw/zinc/67/69/67/672676967.db2.gz GTBDRAIFZHLTQS-UHFFFAOYSA-N -1 1 365.342 2.478 20 0 FEADMM C[C@@H]1COCC[C@@H]1C(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000192519169 672692865 /nfs/dbraw/zinc/69/28/65/672692865.db2.gz HBEDNUDNAZCUSR-SCZZXKLOSA-N -1 1 359.195 2.022 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000193621238 672731352 /nfs/dbraw/zinc/73/13/52/672731352.db2.gz KKMADQWJEYHGRV-UHFFFAOYSA-N -1 1 368.777 2.027 20 0 FEADMM Cc1n[nH]nc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000193811137 672737072 /nfs/dbraw/zinc/73/70/72/672737072.db2.gz PSRWLFMODOXKRS-UHFFFAOYSA-N -1 1 357.395 2.166 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)C(=O)OC(C)(C)C ZINC000592038754 672739535 /nfs/dbraw/zinc/73/95/35/672739535.db2.gz JDXRFQUTNLJWGK-IHRRRGAJSA-N -1 1 351.509 2.333 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)C(=O)OC(C)(C)C ZINC000592038755 672739608 /nfs/dbraw/zinc/73/96/08/672739608.db2.gz JDXRFQUTNLJWGK-MJBXVCDLSA-N -1 1 351.509 2.333 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1cc(C)cc(C)c1 ZINC000592047044 672741809 /nfs/dbraw/zinc/74/18/09/672741809.db2.gz IIAIDICTXUXRHZ-JKSUJKDBSA-N -1 1 357.472 2.108 20 0 FEADMM CCC[C@H](C[N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OCC ZINC000592048521 672742564 /nfs/dbraw/zinc/74/25/64/672742564.db2.gz SIZOXXHDXWNYGC-SNVBAGLBSA-N -1 1 368.377 2.358 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)cc1 ZINC000195109361 672775541 /nfs/dbraw/zinc/77/55/41/672775541.db2.gz QPBQQCVHMGBHGF-UHFFFAOYSA-N -1 1 366.414 2.472 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)cc1F ZINC000592385095 672795656 /nfs/dbraw/zinc/79/56/56/672795656.db2.gz QRMNJBYPJSBTNK-UHFFFAOYSA-N -1 1 369.418 2.497 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)cc1 ZINC000592385010 672795742 /nfs/dbraw/zinc/79/57/42/672795742.db2.gz IJERHSRJORISED-UHFFFAOYSA-N -1 1 367.427 2.194 20 0 FEADMM Cc1ccccc1-c1noc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)n1 ZINC000683688487 672866813 /nfs/dbraw/zinc/86/68/13/672866813.db2.gz QVQRCYHSOVOOLE-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM Cc1ccccc1-c1noc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)n1 ZINC000683688487 672866818 /nfs/dbraw/zinc/86/68/18/672866818.db2.gz QVQRCYHSOVOOLE-UHFFFAOYSA-N -1 1 361.427 2.435 20 0 FEADMM CC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@]2(CCOC2)O1 ZINC000684525791 672938696 /nfs/dbraw/zinc/93/86/96/672938696.db2.gz YDYREBHHAZFOAO-SJCJKPOMSA-N -1 1 355.818 2.464 20 0 FEADMM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCc1nn[n-]n1 ZINC000684767325 672964070 /nfs/dbraw/zinc/96/40/70/672964070.db2.gz OAXDECKMTHHLLI-UHFFFAOYSA-N -1 1 353.169 2.400 20 0 FEADMM CCN1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)CC1 ZINC000321823351 673040931 /nfs/dbraw/zinc/04/09/31/673040931.db2.gz BATZISUQZOLIOV-UHFFFAOYSA-N -1 1 360.863 2.109 20 0 FEADMM CC1(O)CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000703175686 673061343 /nfs/dbraw/zinc/06/13/43/673061343.db2.gz GIAFJACVQJZPML-UHFFFAOYSA-N -1 1 354.291 2.483 20 0 FEADMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594457635 673075257 /nfs/dbraw/zinc/07/52/57/673075257.db2.gz BADGJPBGITXBSI-SNVBAGLBSA-N -1 1 367.826 2.095 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)c1F ZINC000594463190 673076844 /nfs/dbraw/zinc/07/68/44/673076844.db2.gz JAMXXCGCMAXZSW-CQSZACIVSA-N -1 1 365.810 2.113 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c1F ZINC000594465204 673077490 /nfs/dbraw/zinc/07/74/90/673077490.db2.gz YHRDCNSOJHOJMR-NSHDSACASA-N -1 1 365.810 2.112 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)sc1C ZINC000333248498 673097924 /nfs/dbraw/zinc/09/79/24/673097924.db2.gz JVGKRJAKPYGFOZ-NSHDSACASA-N -1 1 372.903 2.366 20 0 FEADMM COC(=O)c1cncc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c1 ZINC000594721245 673123158 /nfs/dbraw/zinc/12/31/58/673123158.db2.gz PGOOLDDZQMKDSM-OAHLLOKOSA-N -1 1 356.444 2.205 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c1 ZINC000594865761 673171255 /nfs/dbraw/zinc/17/12/55/673171255.db2.gz UZACEUUTCICQFI-STQMWFEESA-N -1 1 371.455 2.471 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)cc1C ZINC000595307541 673220101 /nfs/dbraw/zinc/22/01/01/673220101.db2.gz ZNJLGOXGBOPIFD-OLZOCXBDSA-N -1 1 353.371 2.348 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC)cc1C ZINC000595309225 673220779 /nfs/dbraw/zinc/22/07/79/673220779.db2.gz LYSSBZGCSJPDQC-UHFFFAOYSA-N -1 1 353.396 2.170 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)cc1C ZINC000595322225 673224029 /nfs/dbraw/zinc/22/40/29/673224029.db2.gz PZULMTOMVSPNGP-QWHCGFSZSA-N -1 1 359.444 2.247 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)cc1C ZINC000595321914 673224061 /nfs/dbraw/zinc/22/40/61/673224061.db2.gz RRNMFPRGCOTZLA-AWEZNQCLSA-N -1 1 350.396 2.199 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCOc2ccccc2Cl)cc1C ZINC000595323108 673224276 /nfs/dbraw/zinc/22/42/76/673224276.db2.gz QTYSDGNFKUCUMH-UHFFFAOYSA-N -1 1 373.814 2.385 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2(c3cccc(OC)c3)CCC2)c1 ZINC000595372840 673235827 /nfs/dbraw/zinc/23/58/27/673235827.db2.gz WIGDVKFMDREMMQ-UHFFFAOYSA-N -1 1 365.407 2.433 20 0 FEADMM CC1(C)C[C@@]1(C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1 ZINC000613205814 676117225 /nfs/dbraw/zinc/11/72/25/676117225.db2.gz GNDCOVFVSAFXIG-SFHVURJKSA-N -1 1 360.435 2.346 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1C ZINC000595381363 673238680 /nfs/dbraw/zinc/23/86/80/673238680.db2.gz WKGQTILFTKDFKX-NWANDNLSSA-N -1 1 365.382 2.130 20 0 FEADMM Cc1cc(C)c2c(n1)sc(C(=O)NCc1nn[n-]n1)c2-n1cccc1 ZINC000732157702 673355517 /nfs/dbraw/zinc/35/55/17/673355517.db2.gz DYNJUCFMEFTENA-UHFFFAOYSA-N -1 1 353.411 2.147 20 0 FEADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000536269307 673365683 /nfs/dbraw/zinc/36/56/83/673365683.db2.gz NETKBPQCFPKPBW-UHFFFAOYSA-N -1 1 370.858 2.130 20 0 FEADMM COc1ccc(Cl)cc1CS(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000536336471 673367672 /nfs/dbraw/zinc/36/76/72/673367672.db2.gz GSFVMLQKDYRQCL-LLVKDONJSA-N -1 1 361.769 2.081 20 0 FEADMM CCOC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000732501296 673369388 /nfs/dbraw/zinc/36/93/88/673369388.db2.gz AJMLUTSUZZZBGU-UHFFFAOYSA-N -1 1 363.391 2.207 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(Cl)sc2Cl)co1 ZINC000536589554 673371041 /nfs/dbraw/zinc/37/10/41/673371041.db2.gz NHTNVOXOIILOSN-UHFFFAOYSA-N -1 1 369.251 2.486 20 0 FEADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732834502 673386091 /nfs/dbraw/zinc/38/60/91/673386091.db2.gz QJXXUJPEEXJFSM-SNVBAGLBSA-N -1 1 350.724 2.281 20 0 FEADMM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)C1 ZINC000537414604 673388506 /nfs/dbraw/zinc/38/85/06/673388506.db2.gz PDGUFENSVIUIER-CHWSQXEVSA-N -1 1 367.471 2.081 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cccc(OC)n1 ZINC000733011152 673393179 /nfs/dbraw/zinc/39/31/79/673393179.db2.gz YPXYJEZMWJHTNP-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM COc1ccccc1[C@H](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537850262 673411291 /nfs/dbraw/zinc/41/12/91/673411291.db2.gz GCVRKMAFWOAVGT-LLVKDONJSA-N -1 1 364.423 2.181 20 0 FEADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538606325 673447476 /nfs/dbraw/zinc/44/74/76/673447476.db2.gz IYZHDNNERJZDTM-UHFFFAOYSA-N -1 1 364.354 2.486 20 0 FEADMM CC(C)c1ccccc1OCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538606360 673447633 /nfs/dbraw/zinc/44/76/33/673447633.db2.gz LQJFBURCRAMYLI-UHFFFAOYSA-N -1 1 364.423 2.181 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc3ccccc3s2)o1 ZINC000734142279 673453493 /nfs/dbraw/zinc/45/34/93/673453493.db2.gz RSAAYUJQGJHKHA-SECBINFHSA-N -1 1 365.436 2.288 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](CO)C2CCCCC2)c(=O)[n-]1 ZINC000538882784 673464600 /nfs/dbraw/zinc/46/46/00/673464600.db2.gz CBEJHKBTPALBHC-AWEZNQCLSA-N -1 1 353.488 2.203 20 0 FEADMM Cn1ncc2c1nc(Oc1cccc(I)c1)[n-]c2=O ZINC000538895752 673465582 /nfs/dbraw/zinc/46/55/82/673465582.db2.gz GGGFYTQKWWAWFM-UHFFFAOYSA-N -1 1 368.134 2.466 20 0 FEADMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000735271152 673488610 /nfs/dbraw/zinc/48/86/10/673488610.db2.gz YOFPKAQEABJTGY-UHFFFAOYSA-N -1 1 362.407 2.374 20 0 FEADMM Cc1nc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)[n-]c(=O)c1C ZINC000539618896 673498615 /nfs/dbraw/zinc/49/86/15/673498615.db2.gz WBOZXJINBGYROZ-NSHDSACASA-N -1 1 358.423 2.265 20 0 FEADMM COC(=O)Cc1nc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)n[nH]1 ZINC000539627539 673499340 /nfs/dbraw/zinc/49/93/40/673499340.db2.gz XHIJIKIQJPAZIV-UHFFFAOYSA-N -1 1 361.745 2.081 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC000597693702 673499884 /nfs/dbraw/zinc/49/98/84/673499884.db2.gz QMPDQJSUVBFRMW-UHFFFAOYSA-N -1 1 359.411 2.335 20 0 FEADMM Cc1ccc(-c2nnc(Sc3nc4c(cnn4C)c(=O)[n-]3)n2C)cc1 ZINC000539991893 673518293 /nfs/dbraw/zinc/51/82/93/673518293.db2.gz ZKYSZBVJGUKMLW-UHFFFAOYSA-N -1 1 353.411 2.324 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc2c1OCCO2 ZINC000540246861 673531204 /nfs/dbraw/zinc/53/12/04/673531204.db2.gz GAHREKDSBVRIGV-UHFFFAOYSA-N -1 1 366.370 2.221 20 0 FEADMM O=C(CCc1cc(Br)cs1)N1CCC(c2nn[n-]n2)CC1 ZINC000737853231 673584809 /nfs/dbraw/zinc/58/48/09/673584809.db2.gz RAISIAJHJMGBTK-UHFFFAOYSA-N -1 1 370.276 2.363 20 0 FEADMM O=C(CNc1cccc(C(F)(F)F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000737898152 673586908 /nfs/dbraw/zinc/58/69/08/673586908.db2.gz GBDYZRDOXQDKBV-UHFFFAOYSA-N -1 1 354.336 2.037 20 0 FEADMM Cn1[n-]c(CN2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)nc1=O ZINC000542507030 673587550 /nfs/dbraw/zinc/58/75/50/673587550.db2.gz GKAPYCYVVRWNNO-CQSZACIVSA-N -1 1 358.833 2.489 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000542939798 673616626 /nfs/dbraw/zinc/61/66/26/673616626.db2.gz PUJTYZLEOXVVBW-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM O=C([O-])CCCc1nnc(NC(=O)c2cc(-c3cccnc3)on2)s1 ZINC000739713052 673634825 /nfs/dbraw/zinc/63/48/25/673634825.db2.gz WTEMGOJCCYOVMX-UHFFFAOYSA-N -1 1 359.367 2.248 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1nccs1 ZINC000543519869 673651715 /nfs/dbraw/zinc/65/17/15/673651715.db2.gz LFQOQOUEMKNREL-JTQLQIEISA-N -1 1 371.484 2.346 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)OC)C1CC1 ZINC000599294225 673654876 /nfs/dbraw/zinc/65/48/76/673654876.db2.gz DKWHQKUZZCHJJD-CVEARBPZSA-N -1 1 361.504 2.233 20 0 FEADMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)cn1 ZINC000599322453 673658882 /nfs/dbraw/zinc/65/88/82/673658882.db2.gz PSPAGFOSTLIIDI-VIFPVBQESA-N -1 1 373.381 2.007 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)c1F ZINC000599337855 673661218 /nfs/dbraw/zinc/66/12/18/673661218.db2.gz JPPHPUAKCHXFPI-JTQLQIEISA-N -1 1 370.377 2.228 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000543729074 673666583 /nfs/dbraw/zinc/66/65/83/673666583.db2.gz QKJNERWNQHBALF-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(OC)ns1 ZINC000599750521 673713305 /nfs/dbraw/zinc/71/33/05/673713305.db2.gz LPMLAHJBYOXNNJ-UHFFFAOYSA-N -1 1 353.425 2.454 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544760617 673731324 /nfs/dbraw/zinc/73/13/24/673731324.db2.gz KJVOHBHEOYEFSJ-WDEREUQCSA-N -1 1 359.817 2.335 20 0 FEADMM CC(C)N1C(=O)CN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1(C)C ZINC000743380311 673757688 /nfs/dbraw/zinc/75/76/88/673757688.db2.gz NARSRMMFLLFJJF-UHFFFAOYSA-N -1 1 360.487 2.291 20 0 FEADMM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1ccc(Br)o1 ZINC000545369313 673764083 /nfs/dbraw/zinc/76/40/83/673764083.db2.gz DKEKTIYKFQFTJO-UHFFFAOYSA-N -1 1 372.244 2.231 20 0 FEADMM O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCc1nn[n-]n1 ZINC000600495441 673774264 /nfs/dbraw/zinc/77/42/64/673774264.db2.gz NZXYRWYCXCIMOE-UHFFFAOYSA-N -1 1 357.801 2.291 20 0 FEADMM CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600675020 673790610 /nfs/dbraw/zinc/79/06/10/673790610.db2.gz NXGBOMIAPOTTIC-CQSZACIVSA-N -1 1 362.455 2.164 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1nnc(C)o1 ZINC000744508403 673799400 /nfs/dbraw/zinc/79/94/00/673799400.db2.gz DZNXPQCTMSHRBN-JTQLQIEISA-N -1 1 353.400 2.448 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000744571935 673801676 /nfs/dbraw/zinc/80/16/76/673801676.db2.gz XAMMAXUZQZXKKU-KSSFIOAISA-N -1 1 363.435 2.135 20 0 FEADMM CCc1[nH]nc(NC(=O)c2ccc(I)c([O-])c2)c1C ZINC000546897947 673826710 /nfs/dbraw/zinc/82/67/10/673826710.db2.gz CGEOFJVUUCTCCL-UHFFFAOYSA-N -1 1 371.178 2.843 20 0 FEADMM CCOc1cc(C(=O)NCC(=O)NCc2ccco2)cc(Cl)c1[O-] ZINC000546583643 673804111 /nfs/dbraw/zinc/80/41/11/673804111.db2.gz GRTPWNRZWASSRV-UHFFFAOYSA-N -1 1 352.774 2.084 20 0 FEADMM CCOC(=O)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000601383277 673852799 /nfs/dbraw/zinc/85/27/99/673852799.db2.gz NOGZYCYGNOQCST-MRXNPFEDSA-N -1 1 355.818 2.063 20 0 FEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601387461 673853430 /nfs/dbraw/zinc/85/34/30/673853430.db2.gz YASFLEZBCHQFIN-NWDGAFQWSA-N -1 1 371.446 2.088 20 0 FEADMM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)no1 ZINC000547624043 673876231 /nfs/dbraw/zinc/87/62/31/673876231.db2.gz XVDUNDDVCPUGGI-UHFFFAOYSA-N -1 1 367.402 2.479 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601526729 673877756 /nfs/dbraw/zinc/87/77/56/673877756.db2.gz DJTUUPZGZLLSEL-OAHLLOKOSA-N -1 1 362.813 2.274 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc(Cl)c1[O-] ZINC000547733827 673884314 /nfs/dbraw/zinc/88/43/14/673884314.db2.gz SYEGVJBONOVLLI-AWEZNQCLSA-N -1 1 353.802 2.264 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2cncc(Cl)c2)c(C(=O)[O-])c1 ZINC000548524586 673965307 /nfs/dbraw/zinc/96/53/07/673965307.db2.gz NFDZKTHJZNMRQS-UHFFFAOYSA-N -1 1 369.786 2.192 20 0 FEADMM CC(C)c1cccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000548549154 673969606 /nfs/dbraw/zinc/96/96/06/673969606.db2.gz SRNBFQRVECTCCS-MRXNPFEDSA-N -1 1 354.472 2.027 20 0 FEADMM O=C(c1cc(Cl)ccc1[O-])N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000615098246 676203015 /nfs/dbraw/zinc/20/30/15/676203015.db2.gz NNUSUSSKVBTZOA-AWEZNQCLSA-N -1 1 370.902 2.326 20 0 FEADMM C[C@@H]1CCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000566749173 675239681 /nfs/dbraw/zinc/23/96/81/675239681.db2.gz QFRNXLARJKGNMT-HICWGWBUSA-N -1 1 369.259 2.192 20 0 FEADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@H]1CO ZINC000567317860 675283396 /nfs/dbraw/zinc/28/33/96/675283396.db2.gz HXHZGMLVDSKEFC-ZJUUUORDSA-N -1 1 365.227 2.403 20 0 FEADMM CC(=O)c1cc2c(cc1NC(=O)c1ccc(-c3nnn[n-]3)s1)OCO2 ZINC000819832840 675316416 /nfs/dbraw/zinc/31/64/16/675316416.db2.gz BKEMIBONXZVVQG-UHFFFAOYSA-N -1 1 357.351 2.112 20 0 FEADMM CC(=O)c1cc2c(cc1NC(=O)c1ccc(-c3nn[n-]n3)s1)OCO2 ZINC000819832840 675316417 /nfs/dbraw/zinc/31/64/17/675316417.db2.gz BKEMIBONXZVVQG-UHFFFAOYSA-N -1 1 357.351 2.112 20 0 FEADMM COc1ccc(NC(=O)C2CC3(CC3(F)F)C2)cc1[N-]S(C)(=O)=O ZINC000820844616 675393417 /nfs/dbraw/zinc/39/34/17/675393417.db2.gz JMHJGSXAPCICOR-UHFFFAOYSA-N -1 1 360.382 2.441 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CCC[C@H](F)C2)cc1[N-]S(C)(=O)=O ZINC000568860820 675406421 /nfs/dbraw/zinc/40/64/21/675406421.db2.gz JMIFOCRQOHTDOU-WDEREUQCSA-N -1 1 359.423 2.469 20 0 FEADMM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000568911270 675409467 /nfs/dbraw/zinc/40/94/67/675409467.db2.gz KXPVXZRNIVBAMR-CQSZACIVSA-N -1 1 357.797 2.430 20 0 FEADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)N=S3(=O)CCCC3)c2)n1 ZINC000821144326 675418276 /nfs/dbraw/zinc/41/82/76/675418276.db2.gz DEYWUFRYKMCHOW-UHFFFAOYSA-N -1 1 366.468 2.371 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000821163103 675418945 /nfs/dbraw/zinc/41/89/45/675418945.db2.gz GAJNQFMEQKCXII-AWEZNQCLSA-N -1 1 353.396 2.267 20 0 FEADMM O=C(C1=C(c2ccccc2)SCCO1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000821195050 675420880 /nfs/dbraw/zinc/42/08/80/675420880.db2.gz JYOUENHNRUUFBY-ZDUSSCGKSA-N -1 1 357.439 2.038 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC000821970811 675462129 /nfs/dbraw/zinc/46/21/29/675462129.db2.gz SKXHUKIIWRKIPP-UHFFFAOYSA-N -1 1 360.443 2.096 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCC2 ZINC000823027112 675523961 /nfs/dbraw/zinc/52/39/61/675523961.db2.gz MPRWVTOVWNQBKD-UHFFFAOYSA-N -1 1 354.391 2.457 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCC2 ZINC000823027112 675523963 /nfs/dbraw/zinc/52/39/63/675523963.db2.gz MPRWVTOVWNQBKD-UHFFFAOYSA-N -1 1 354.391 2.457 20 0 FEADMM O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000823191436 675535350 /nfs/dbraw/zinc/53/53/50/675535350.db2.gz OEKVPNQGGZCALX-SUHUHFCYSA-N -1 1 365.796 2.086 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@]12C[C@H]1COC21CCC1 ZINC000824345541 675596740 /nfs/dbraw/zinc/59/67/40/675596740.db2.gz JIIUDRUZQQKGJR-JBBSTSQOSA-N -1 1 360.376 2.004 20 0 FEADMM Cc1cnn(C)c1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000824410040 675600597 /nfs/dbraw/zinc/60/05/97/675600597.db2.gz MIQUJXTWQHWMGJ-LSJOCFKGSA-N -1 1 361.368 2.038 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]2CCCC[C@@H]12 ZINC000824995327 675632507 /nfs/dbraw/zinc/63/25/07/675632507.db2.gz YTPDDLREYOBDKJ-OSMZGAPFSA-N -1 1 365.434 2.205 20 0 FEADMM Cc1nnc(CCC(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)o1 ZINC000825206942 675641620 /nfs/dbraw/zinc/64/16/20/675641620.db2.gz AFOGNMKJNWYPGO-UHFFFAOYSA-N -1 1 364.833 2.014 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000827374406 675751901 /nfs/dbraw/zinc/75/19/01/675751901.db2.gz HSETWRPNYPYFQK-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(-c3cscn3)c2)CC1 ZINC000827380687 675751977 /nfs/dbraw/zinc/75/19/77/675751977.db2.gz UYHDEQFLSKGELG-CYBMUJFWSA-N -1 1 359.451 2.431 20 0 FEADMM O=C(COc1cccc(C(F)(F)F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381548 675812296 /nfs/dbraw/zinc/81/22/96/675812296.db2.gz ZGGJIXQNPFQFJK-UHFFFAOYSA-N -1 1 355.320 2.183 20 0 FEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[nH]n1 ZINC000605432343 675814548 /nfs/dbraw/zinc/81/45/48/675814548.db2.gz XTHARFGFWBSTSF-UHFFFAOYSA-N -1 1 365.459 2.072 20 0 FEADMM Cc1c(Br)ccc(F)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000828417334 675818671 /nfs/dbraw/zinc/81/86/71/675818671.db2.gz VUSNFBITPYPKLL-UHFFFAOYSA-N -1 1 368.210 2.430 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cc(F)ccc3[C@H]2C)o1 ZINC000606413423 675831209 /nfs/dbraw/zinc/83/12/09/675831209.db2.gz RQQWFGVYYQYVRK-SNVBAGLBSA-N -1 1 352.387 2.086 20 0 FEADMM CCOCCCCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000607208426 675860922 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CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(C)ns2)CC1 ZINC000631704583 676952715 /nfs/dbraw/zinc/95/27/15/676952715.db2.gz JQWJADFOUZPKLI-UHFFFAOYSA-N -1 1 366.512 2.394 20 0 FEADMM CO[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000631999671 676969808 /nfs/dbraw/zinc/96/98/08/676969808.db2.gz NHLLYEWWMITNKP-IAGOWNOFSA-N -1 1 367.467 2.184 20 0 FEADMM Cn1ccnc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCO1 ZINC000632429618 676993626 /nfs/dbraw/zinc/99/36/26/676993626.db2.gz ONLCDWLCUHVQRQ-KOLCDFICSA-N -1 1 361.370 2.149 20 0 FEADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1c2c(nn1C)CCCC2)c1ccccc1F ZINC000632467117 676996220 /nfs/dbraw/zinc/99/62/20/676996220.db2.gz NYZSHUIXOAVOPC-MRXNPFEDSA-N -1 1 365.430 2.047 20 0 FEADMM O=C(C[N-]S(=O)(=O)Cc1ncsc1Br)C1CCCC1 ZINC000632599438 677004339 /nfs/dbraw/zinc/00/43/39/677004339.db2.gz SBQLNALSDVEVEF-UHFFFAOYSA-N -1 1 367.290 2.084 20 0 FEADMM Cc1cc(C2([N-]S(=O)(=O)c3ccc(C(F)F)o3)CCOCC2)on1 ZINC000632602854 677004602 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2.216 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3nccn3CC(F)F)n[n-]2)cc1 ZINC000871632136 684837618 /nfs/dbraw/zinc/83/76/18/684837618.db2.gz GTACVQQILDRPFE-UHFFFAOYSA-N -1 1 367.381 2.216 20 0 FEADMM CCOC(=O)CCc1c(C)nc(S[C@H]2CCN(C(C)C)C2=O)[n-]c1=O ZINC000871695093 684846076 /nfs/dbraw/zinc/84/60/76/684846076.db2.gz STUTZJKTPUDLIT-ZDUSSCGKSA-N -1 1 367.471 2.088 20 0 FEADMM Cc1cc(S(=O)(=O)NCC(C)(C)N2CCCCC2)sc1C(=O)[O-] ZINC000871803594 684857778 /nfs/dbraw/zinc/85/77/78/684857778.db2.gz KKIYTAUWPWCYNN-UHFFFAOYSA-N -1 1 360.501 2.298 20 0 FEADMM Cc1c(F)cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1C(=O)[O-] ZINC000871868153 684869298 /nfs/dbraw/zinc/86/92/98/684869298.db2.gz YVZYAFVVJMGYIM-ZDUSSCGKSA-N -1 1 370.446 2.081 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000871870827 684870284 /nfs/dbraw/zinc/87/02/84/684870284.db2.gz NOCBSSSMHJULRR-AWEZNQCLSA-N -1 1 372.462 2.375 20 0 FEADMM Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc(C(=O)[O-])c1Cl ZINC000871871930 684870812 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FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000871994319 684907290 /nfs/dbraw/zinc/90/72/90/684907290.db2.gz VKMLCZFTTWLRPU-CYBMUJFWSA-N -1 1 372.512 2.440 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)cc1C(=O)[O-] ZINC000872000845 684909962 /nfs/dbraw/zinc/90/99/62/684909962.db2.gz OEQVMALVGQRZBP-CYBMUJFWSA-N -1 1 370.446 2.128 20 0 FEADMM CCCCn1cc(S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F)c(C)n1 ZINC000872003795 684911527 /nfs/dbraw/zinc/91/15/27/684911527.db2.gz WVYJULFVLPSWAZ-LBPRGKRZSA-N -1 1 357.398 2.237 20 0 FEADMM COc1cccc(Br)c1CS(=O)(=O)[N-]c1c[nH]nc1C ZINC000872004538 684911809 /nfs/dbraw/zinc/91/18/09/684911809.db2.gz PBSXAIKLDBYWBW-UHFFFAOYSA-N -1 1 360.233 2.431 20 0 FEADMM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CCO1 ZINC000872470082 684958208 /nfs/dbraw/zinc/95/82/08/684958208.db2.gz DXIJUWGRACSKBJ-OSRJUQGESA-N -1 1 354.538 2.311 20 0 FEADMM COc1cccc(C2(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC2)c1 ZINC000872488797 684963565 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FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCO[C@H](c3ccccc3)C2)co1 ZINC000873621829 685176314 /nfs/dbraw/zinc/17/63/14/685176314.db2.gz RYQRWHVTRXKKIN-CABCVRRESA-N -1 1 365.407 2.265 20 0 FEADMM Cc1sc(C(=O)N2CCCN(CC(=O)[O-])CC2)cc1Br ZINC000911215797 685181693 /nfs/dbraw/zinc/18/16/93/685181693.db2.gz PCAWDCVBOVMBHC-UHFFFAOYSA-N -1 1 361.261 2.052 20 0 FEADMM CC(C)OCc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)ccc1O ZINC000911466519 685214279 /nfs/dbraw/zinc/21/42/79/685214279.db2.gz UPPDNDVIQVMDDL-CYBMUJFWSA-N -1 1 350.415 2.052 20 0 FEADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000911582915 685228103 /nfs/dbraw/zinc/22/81/03/685228103.db2.gz AJWWVNHXRLRKQH-STQMWFEESA-N -1 1 361.467 2.140 20 0 FEADMM O=C([N-]CC1CN(C(=O)NCc2cc3ccccc3o2)C1)C(F)(F)F ZINC000875112551 685733973 /nfs/dbraw/zinc/73/39/73/685733973.db2.gz PRVKZPXJNHHJOH-UHFFFAOYSA-N -1 1 355.316 2.253 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000875137170 685739444 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C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000032926681 539959389 /nfs/dbraw/zinc/95/93/89/539959389.db2.gz BSOCLPZBKHWVEC-SECBINFHSA-N -1 1 358.366 2.299 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)o1 ZINC000032966635 539962012 /nfs/dbraw/zinc/96/20/12/539962012.db2.gz BKLHOZWAXCHMAC-KRWDZBQOSA-N -1 1 371.418 2.102 20 0 FEADMM CCc1noc(C)c1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000033069768 539965974 /nfs/dbraw/zinc/96/59/74/539965974.db2.gz CPZAEISPTXFPDR-UHFFFAOYSA-N -1 1 353.400 2.178 20 0 FEADMM CCOc1ncccc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000033070134 539966510 /nfs/dbraw/zinc/96/65/10/539966510.db2.gz YNICMNXHSJJXEK-UHFFFAOYSA-N -1 1 365.411 2.113 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCOCC(C)C)c1 ZINC000033227226 539971553 /nfs/dbraw/zinc/97/15/53/539971553.db2.gz GBEQVSRNTRBUSW-UHFFFAOYSA-N -1 1 372.487 2.424 20 0 FEADMM CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cncc([O-])c1 ZINC000550292692 674088554 /nfs/dbraw/zinc/08/85/54/674088554.db2.gz ZNUCIBAZWMOSRF-SWLSCSKDSA-N -1 1 351.472 2.243 20 0 FEADMM COc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1[N-]S(C)(=O)=O ZINC000044036527 540117466 /nfs/dbraw/zinc/11/74/66/540117466.db2.gz YTNPKOIMSJLODZ-UHFFFAOYSA-N -1 1 374.422 2.275 20 0 FEADMM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000044707628 540137124 /nfs/dbraw/zinc/13/71/24/540137124.db2.gz CHFWMQGKASWKBV-HNNXBMFYSA-N -1 1 369.465 2.218 20 0 FEADMM O=C(Cn1cnc([N-]C(=O)c2sccc2F)n1)NCc1ccccc1 ZINC000550419068 674094477 /nfs/dbraw/zinc/09/44/77/674094477.db2.gz FUZUYHKXSUXTHH-UHFFFAOYSA-N -1 1 359.386 2.047 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000047327493 540303919 /nfs/dbraw/zinc/30/39/19/540303919.db2.gz XGFSWXTWRBCBPC-UHFFFAOYSA-N -1 1 364.361 2.050 20 0 FEADMM Cn1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000047529830 540316711 /nfs/dbraw/zinc/31/67/11/540316711.db2.gz XYDCOTYCNVYKFQ-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NCCOc2cccc(F)c2)n1 ZINC000053359009 540528886 /nfs/dbraw/zinc/52/88/86/540528886.db2.gz ZHYVJMPURHQPDD-UHFFFAOYSA-N -1 1 365.430 2.149 20 0 FEADMM O=C(Nc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1)NC1CC1 ZINC000054845873 540614269 /nfs/dbraw/zinc/61/42/69/540614269.db2.gz YXGCVABAAOBJSA-UHFFFAOYSA-N -1 1 354.292 2.360 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000054979669 540618953 /nfs/dbraw/zinc/61/89/53/540618953.db2.gz WKAWCXWTFAWSCO-SNVBAGLBSA-N -1 1 356.398 2.322 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000055549720 540657874 /nfs/dbraw/zinc/65/78/74/540657874.db2.gz GKCHODQKZAKQDH-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(NS(C)(=O)=O)c1 ZINC000055583252 540661172 /nfs/dbraw/zinc/66/11/72/540661172.db2.gz UZPXIGCNMWOLRQ-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000055622044 540664462 /nfs/dbraw/zinc/66/44/62/540664462.db2.gz CXFGGGXQCMYTSR-UHFFFAOYSA-N -1 1 370.430 2.363 20 0 FEADMM O=C(CCCN1CCN(c2ccccc2)CC1)N=c1nc2ccccn2[n-]1 ZINC000537315335 540715983 /nfs/dbraw/zinc/71/59/83/540715983.db2.gz QKJLRKKLKLIRQX-UHFFFAOYSA-N -1 1 364.453 2.270 20 0 FEADMM COCc1ccccc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057118359 540769086 /nfs/dbraw/zinc/76/90/86/540769086.db2.gz IFHKQQBWIHECLV-UHFFFAOYSA-N -1 1 365.407 2.270 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2C(=O)CCC2=O)cc1 ZINC000063443638 541168109 /nfs/dbraw/zinc/16/81/09/541168109.db2.gz MBRVAZCXSCNJCO-UHFFFAOYSA-N -1 1 358.419 2.445 20 0 FEADMM Cc1cccc(OCCNC(=O)[C@H](C)S(=O)(=O)c2ccc([O-])cc2)c1 ZINC000063927507 541191868 /nfs/dbraw/zinc/19/18/68/541191868.db2.gz BYCPGXTWZNXTRL-AWEZNQCLSA-N -1 1 363.435 2.058 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000541273908 541179583 /nfs/dbraw/zinc/17/95/83/541179583.db2.gz ZCHBRYNMMHPPSH-SNVBAGLBSA-N -1 1 350.400 2.157 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1 ZINC000064475671 541207133 /nfs/dbraw/zinc/20/71/33/541207133.db2.gz QEAYKKXKHOEDAW-UHFFFAOYSA-N -1 1 365.386 2.074 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1F ZINC000065832602 541264431 /nfs/dbraw/zinc/26/44/31/541264431.db2.gz MRHZVWFEKBCUTQ-UHFFFAOYSA-N -1 1 363.374 2.001 20 0 FEADMM NC(=O)[C@H](CNC(=O)c1cc(Cl)ccc1[O-])Cc1ccc(F)cc1 ZINC000066456544 541320789 /nfs/dbraw/zinc/32/07/89/541320789.db2.gz MUESNSMLQBQMDA-NSHDSACASA-N -1 1 350.777 2.259 20 0 FEADMM CCn1c(CNC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)n[n-]c1=S ZINC000066637207 541351735 /nfs/dbraw/zinc/35/17/35/541351735.db2.gz PSWPCBDGYUBKRD-UHFFFAOYSA-N -1 1 372.454 2.068 20 0 FEADMM CCCC(=O)N1CCC[C@H](C(=O)NCc2n[n-]c(=S)n2C(C)C)C1 ZINC000066639654 541353099 /nfs/dbraw/zinc/35/30/99/541353099.db2.gz MUXYTJQNMKPRCZ-LBPRGKRZSA-N -1 1 353.492 2.176 20 0 FEADMM CCCCC(=O)N1CSC[C@H]1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066650048 541355401 /nfs/dbraw/zinc/35/54/01/541355401.db2.gz FZONKTLSKJPIQW-NSHDSACASA-N -1 1 371.532 2.229 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@H]2CC(c3ccccc3)=NO2)n[n-]c1=S ZINC000067074697 541414967 /nfs/dbraw/zinc/41/49/67/541414967.db2.gz OXUNYYLXWZKAAW-CQSZACIVSA-N -1 1 359.455 2.373 20 0 FEADMM O=C1NCCN1c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068075307 541544281 /nfs/dbraw/zinc/54/42/81/541544281.db2.gz OUUOPZOEXNXHBC-UHFFFAOYSA-N -1 1 359.407 2.047 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000068209719 541563200 /nfs/dbraw/zinc/56/32/00/541563200.db2.gz USRNFURIKXVIKK-LBPRGKRZSA-N -1 1 362.329 2.221 20 0 FEADMM CCCCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000068541577 541606516 /nfs/dbraw/zinc/60/65/16/541606516.db2.gz QIZYYQBIQKDZBK-ZDUSSCGKSA-N -1 1 370.471 2.320 20 0 FEADMM O=C(NC[C@H](O)COc1ccccc1)c1ccc(Br)cc1[O-] ZINC000068426099 541590218 /nfs/dbraw/zinc/59/02/18/541590218.db2.gz YROBHYRFFXYJBG-LBPRGKRZSA-N -1 1 366.211 2.324 20 0 FEADMM CC(C)n1c(CCNC(=O)CCOc2ccc(C=O)cc2)n[n-]c1=S ZINC000068448979 541593163 /nfs/dbraw/zinc/59/31/63/541593163.db2.gz FQYYINKPBUAXDM-UHFFFAOYSA-N -1 1 362.455 2.462 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000069163547 541664956 /nfs/dbraw/zinc/66/49/56/541664956.db2.gz OKLCZZUOGOJBFA-QWHCGFSZSA-N -1 1 363.435 2.440 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ncnn1C(C)C ZINC000801237140 674112443 /nfs/dbraw/zinc/11/24/43/674112443.db2.gz RJBAHXQFQLMYEV-UHFFFAOYSA-N -1 1 366.443 2.368 20 0 FEADMM CC(C)C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000071044505 541761149 /nfs/dbraw/zinc/76/11/49/541761149.db2.gz CJMMLJXRHZHDHM-CYBMUJFWSA-N -1 1 372.487 2.244 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000801358455 674124056 /nfs/dbraw/zinc/12/40/56/674124056.db2.gz KFKFBFMTJPULHO-AWEZNQCLSA-N -1 1 350.758 2.340 20 0 FEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])NCC1CCC1 ZINC000801374452 674124922 /nfs/dbraw/zinc/12/49/22/674124922.db2.gz JVVGBTPWTUZMJM-UHFFFAOYSA-N -1 1 363.801 2.304 20 0 FEADMM CO[C@]1(C)C[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1(C)C ZINC000073265122 541938384 /nfs/dbraw/zinc/93/83/84/541938384.db2.gz CSRNWVNZANVVIJ-FOIQADDNSA-N -1 1 370.453 2.003 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(Cc2cccs2)CC1 ZINC000074272589 542062611 /nfs/dbraw/zinc/06/26/11/542062611.db2.gz KMARPXKKAPHTTG-UHFFFAOYSA-N -1 1 354.435 2.355 20 0 FEADMM CCSCC[C@@H](C)N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000075380846 542176130 /nfs/dbraw/zinc/17/61/30/542176130.db2.gz WMAIFEUNUMYDAQ-LLVKDONJSA-N -1 1 350.488 2.172 20 0 FEADMM CSC(C)(C)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000075362879 542173218 /nfs/dbraw/zinc/17/32/18/542173218.db2.gz NWJPMQHOFMEZLI-UHFFFAOYSA-N -1 1 360.483 2.331 20 0 FEADMM CCCN(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)[O-] ZINC000038021655 211356457 /nfs/dbraw/zinc/35/64/57/211356457.db2.gz YVUUDLCMMVDFMX-UHFFFAOYSA-N -1 1 364.261 2.019 20 0 FEADMM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000801638991 674141456 /nfs/dbraw/zinc/14/14/56/674141456.db2.gz CLPOWNQRVQPQSG-UHFFFAOYSA-N -1 1 370.858 2.489 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2c1=O ZINC000551470794 674146181 /nfs/dbraw/zinc/14/61/81/674146181.db2.gz HHBXTRFJJWGBJJ-UHFFFAOYSA-N -1 1 358.375 2.068 20 0 FEADMM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383465 542375625 /nfs/dbraw/zinc/37/56/25/542375625.db2.gz PFZMTXPXAHYSHD-GWCFXTLKSA-N -1 1 364.464 2.054 20 0 FEADMM CN(CCC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000065760104 221237253 /nfs/dbraw/zinc/23/72/53/221237253.db2.gz DZIYLPQQCMPCLD-UHFFFAOYSA-N -1 1 356.366 2.381 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1 ZINC000083577565 542699549 /nfs/dbraw/zinc/69/95/49/542699549.db2.gz VJVKVXOZBFLAGG-UHFFFAOYSA-N -1 1 358.423 2.357 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084938782 542723741 /nfs/dbraw/zinc/72/37/41/542723741.db2.gz FIJSGZBIBYWHGJ-OLZOCXBDSA-N -1 1 357.453 2.067 20 0 FEADMM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C2 ZINC000102935111 543086270 /nfs/dbraw/zinc/08/62/70/543086270.db2.gz GHAVOKYEJWWSCN-JTQLQIEISA-N -1 1 373.352 2.395 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1-n1cccn1 ZINC000103942004 543118679 /nfs/dbraw/zinc/11/86/79/543118679.db2.gz DZGMCDDSGCWFBB-UHFFFAOYSA-N -1 1 362.393 2.006 20 0 FEADMM C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000103943102 543118771 /nfs/dbraw/zinc/11/87/71/543118771.db2.gz YTLPJCACKXKOCK-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM Cc1cc(C)c(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000104841141 543146683 /nfs/dbraw/zinc/14/66/83/543146683.db2.gz DJCCOJQLBLTLBQ-UHFFFAOYSA-N -1 1 352.438 2.424 20 0 FEADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1nccs1 ZINC000105995274 543184690 /nfs/dbraw/zinc/18/46/90/543184690.db2.gz ZYAILFRALDMLJD-VIFPVBQESA-N -1 1 357.457 2.304 20 0 FEADMM O=C(NCc1cnn(Cc2ccccc2)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000107324062 543266390 /nfs/dbraw/zinc/26/63/90/543266390.db2.gz KKOUVLIAFMQWHA-UHFFFAOYSA-N -1 1 359.389 2.098 20 0 FEADMM Cc1cc(C)c(CNC(=O)c2ccc(Br)cc2[O-])c(=O)[nH]1 ZINC000109356044 543322006 /nfs/dbraw/zinc/32/20/06/543322006.db2.gz JSYYGNMXWJENHK-UHFFFAOYSA-N -1 1 351.200 2.390 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)o1 ZINC000111130041 543383167 /nfs/dbraw/zinc/38/31/67/543383167.db2.gz XOISCGWEARZVCJ-LLVKDONJSA-N -1 1 369.468 2.102 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000111596819 543408047 /nfs/dbraw/zinc/40/80/47/543408047.db2.gz MNQHOGYKGIAGHR-UHFFFAOYSA-N -1 1 363.776 2.178 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)Nc1ccccc1 ZINC000113303145 543483954 /nfs/dbraw/zinc/48/39/54/543483954.db2.gz SHKKDDHVCAVLOV-UHFFFAOYSA-N -1 1 358.341 2.411 20 0 FEADMM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000113428622 543487973 /nfs/dbraw/zinc/48/79/73/543487973.db2.gz XZMVRVRBPJPIAN-UHFFFAOYSA-N -1 1 368.328 2.011 20 0 FEADMM O=C(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)Nc1cccnc1 ZINC000113286418 543482217 /nfs/dbraw/zinc/48/22/17/543482217.db2.gz VCPOQOJQSLMMMS-UHFFFAOYSA-N -1 1 374.249 2.447 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC000123185708 543747510 /nfs/dbraw/zinc/74/75/10/543747510.db2.gz ABBDNXBHQJKVHZ-AWEZNQCLSA-N -1 1 360.458 2.384 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000123823397 543784978 /nfs/dbraw/zinc/78/49/78/543784978.db2.gz UIUFWXSRINBGRO-ZDUSSCGKSA-N -1 1 372.874 2.205 20 0 FEADMM NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(F)cc3[O-])cc2)C1 ZINC000123617123 543772892 /nfs/dbraw/zinc/77/28/92/543772892.db2.gz WRZDPUSDGSICCN-AWEZNQCLSA-N -1 1 371.412 2.481 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nn[n-]n1 ZINC000124394970 543818887 /nfs/dbraw/zinc/81/88/87/543818887.db2.gz WHTGFBUJBSXZIZ-VIFPVBQESA-N -1 1 373.398 2.107 20 0 FEADMM CC[C@@](C)(CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000125453551 543882728 /nfs/dbraw/zinc/88/27/28/543882728.db2.gz ARMOKQBKLDFABL-SFHVURJKSA-N -1 1 362.451 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2OC(F)F)co1 ZINC000126351641 543931276 /nfs/dbraw/zinc/93/12/76/543931276.db2.gz IBUZBYJEJIBKDR-UHFFFAOYSA-N -1 1 360.338 2.350 20 0 FEADMM O=C(C1CCCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000126381585 543933224 /nfs/dbraw/zinc/93/32/24/543933224.db2.gz XUZKGUKUCIBWDG-CYBMUJFWSA-N -1 1 372.437 2.424 20 0 FEADMM Cc1cnc(CCN(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000125610495 543891989 /nfs/dbraw/zinc/89/19/89/543891989.db2.gz NTXKYWBLCRLQNK-UHFFFAOYSA-N -1 1 373.482 2.450 20 0 FEADMM O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1n[n-]c(C2CC2)n1 ZINC000127220135 543979137 /nfs/dbraw/zinc/97/91/37/543979137.db2.gz SIJDXWNDOPNKHD-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000126826189 543958463 /nfs/dbraw/zinc/95/84/63/543958463.db2.gz JLXJYLMTJPVFJW-UHFFFAOYSA-N -1 1 369.468 2.272 20 0 FEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129267449 544101411 /nfs/dbraw/zinc/10/14/11/544101411.db2.gz PYWOKHPGWORIIP-CYBMUJFWSA-N -1 1 369.404 2.161 20 0 FEADMM COc1ccc(-c2ncc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)s2)cc1 ZINC000129450172 544113003 /nfs/dbraw/zinc/11/30/03/544113003.db2.gz FRMYXXLTAQATKQ-LBPRGKRZSA-N -1 1 370.438 2.352 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2OC)co1 ZINC000129785908 544127152 /nfs/dbraw/zinc/12/71/52/544127152.db2.gz ASNNPTNYMXDNNL-AWEZNQCLSA-N -1 1 364.423 2.174 20 0 FEADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000132107383 544219110 /nfs/dbraw/zinc/21/91/10/544219110.db2.gz CXZCUCCHCWXOKN-SNVBAGLBSA-N -1 1 357.819 2.307 20 0 FEADMM CCCOc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1OCC ZINC000132709856 544241423 /nfs/dbraw/zinc/24/14/23/544241423.db2.gz CICOGVOCHSDEDM-AWEZNQCLSA-N -1 1 359.430 2.407 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)no1 ZINC000139819125 544405279 /nfs/dbraw/zinc/40/52/79/544405279.db2.gz NILJSNIIIOIIOE-UHFFFAOYSA-N -1 1 371.378 2.015 20 0 FEADMM CCC[C@H](NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC000136674610 544376551 /nfs/dbraw/zinc/37/65/51/544376551.db2.gz YSIGBDSLOZOOEE-AAEUAGOBSA-N -1 1 356.352 2.050 20 0 FEADMM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)C1N=NC(=O)N1C[C@H]1CCCO1 ZINC000151883496 544592125 /nfs/dbraw/zinc/59/21/25/544592125.db2.gz PVWOIOXMIVMADE-GXFFZTMASA-N -1 1 371.846 2.351 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2n[nH]nc2c1 ZINC000153336480 544763265 /nfs/dbraw/zinc/76/32/65/544763265.db2.gz OCNONWCIOZEJLB-UHFFFAOYSA-N -1 1 359.411 2.362 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)co1 ZINC000154464199 544910246 /nfs/dbraw/zinc/91/02/46/544910246.db2.gz LNYIZDJOANUPLD-AAEUAGOBSA-N -1 1 352.412 2.394 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])N1CC[NH+](C)CC1 ZINC000155114722 544991639 /nfs/dbraw/zinc/99/16/39/544991639.db2.gz RDPFVCCPGKTENX-OAHLLOKOSA-N -1 1 357.857 2.187 20 0 FEADMM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)[C@]1(O)CCCOC1 ZINC000620115007 676407277 /nfs/dbraw/zinc/40/72/77/676407277.db2.gz KPPPNHDETFHODT-INIZCTEOSA-N -1 1 372.259 2.452 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000553024626 674234355 /nfs/dbraw/zinc/23/43/55/674234355.db2.gz XMJCQNFFHLJLBZ-UHFFFAOYSA-N -1 1 365.342 2.296 20 0 FEADMM C[C@]1(C2CC2)NC(=O)N(c2cccc(C[N-]C(=O)C(F)(F)F)c2)C1=O ZINC000803479968 674245617 /nfs/dbraw/zinc/24/56/17/674245617.db2.gz QSLARYWULUSQAL-OAHLLOKOSA-N -1 1 355.316 2.090 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)CCOCc2ccccc2)c1 ZINC000553575122 674272474 /nfs/dbraw/zinc/27/24/74/674272474.db2.gz GNYOLNJMUWTIFK-CYBMUJFWSA-N -1 1 367.423 2.340 20 0 FEADMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cnn(CC(F)F)c1)C(=O)C2 ZINC000183349961 327812986 /nfs/dbraw/zinc/81/29/86/327812986.db2.gz KBHBIOKZIMOUMS-BONVTDFDSA-N -1 1 361.414 2.285 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)o1 ZINC000184003473 327845827 /nfs/dbraw/zinc/84/58/27/327845827.db2.gz MSJWYUPASRLUQD-SFHVURJKSA-N -1 1 362.451 2.425 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CSc1nc(C(=O)OC)c[n-]1 ZINC000187593941 328034986 /nfs/dbraw/zinc/03/49/86/328034986.db2.gz OCNBLJHAYJUZFQ-UHFFFAOYSA-N -1 1 351.403 2.476 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1F)N1CCOCC1 ZINC000187841333 328049870 /nfs/dbraw/zinc/04/98/70/328049870.db2.gz JYFXYNLEZNLEGD-UHFFFAOYSA-N -1 1 364.398 2.099 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000188111790 328066958 /nfs/dbraw/zinc/06/69/58/328066958.db2.gz FRUFTFBBKZKLMS-SMDDNHRTSA-N -1 1 359.451 2.453 20 0 FEADMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000188344504 328081847 /nfs/dbraw/zinc/08/18/47/328081847.db2.gz YVKJECXWPMGZCL-LBPRGKRZSA-N -1 1 359.369 2.294 20 0 FEADMM CC(C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190768193 328231286 /nfs/dbraw/zinc/23/12/86/328231286.db2.gz RRLBUEHQADUTCN-UHFFFAOYSA-N -1 1 360.632 2.291 20 0 FEADMM O=C(NC[C@H]1CC[C@H](O)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000191312540 328259499 /nfs/dbraw/zinc/25/94/99/328259499.db2.gz BPVFMRSBVJUYRV-YOEHRIQHSA-N -1 1 374.462 2.378 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1CO ZINC000191818214 328283662 /nfs/dbraw/zinc/28/36/62/328283662.db2.gz BNEVKWCURSTPIC-ZBFHGGJFSA-N -1 1 374.462 2.188 20 0 FEADMM Cc1noc(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000191918442 328288665 /nfs/dbraw/zinc/28/86/65/328288665.db2.gz PYMFKNGNBXIYRA-UHFFFAOYSA-N -1 1 354.190 2.345 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(Br)c(F)cc1F)c1nn[n-]n1 ZINC000192209578 328306833 /nfs/dbraw/zinc/30/68/33/328306833.db2.gz KEYLCVPHBMLQRI-LURJTMIESA-N -1 1 360.162 2.116 20 0 FEADMM COc1cccc2c1CCN(C(=O)c1c(C)[n-]c(=O)nc1SC)CC2 ZINC000192600157 328327850 /nfs/dbraw/zinc/32/78/50/328327850.db2.gz FLSBNBNTJGGSJA-UHFFFAOYSA-N -1 1 359.451 2.050 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000193318035 328368651 /nfs/dbraw/zinc/36/86/51/328368651.db2.gz NNEQSHSMJGARIE-CQSZACIVSA-N -1 1 354.472 2.335 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(-n3cnnn3)c2)c1 ZINC000194288100 328418326 /nfs/dbraw/zinc/41/83/26/328418326.db2.gz DMCVNLKEDWFPQQ-UHFFFAOYSA-N -1 1 371.422 2.364 20 0 FEADMM CCOCc1ccccc1CNC(=O)CSc1nc(CC)cc(=O)[n-]1 ZINC000195072060 328455010 /nfs/dbraw/zinc/45/50/10/328455010.db2.gz YAQOASLYTJDWDP-UHFFFAOYSA-N -1 1 361.467 2.277 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)o1 ZINC000031491151 324468528 /nfs/dbraw/zinc/46/85/28/324468528.db2.gz YFFJVMWMPDIYQP-UHFFFAOYSA-N -1 1 354.403 2.426 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1 ZINC000032592289 324478375 /nfs/dbraw/zinc/47/83/75/324478375.db2.gz NXMNKIMOVFCORF-UHFFFAOYSA-N -1 1 356.407 2.330 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCc1ccc(F)cc1 ZINC000042091496 324520851 /nfs/dbraw/zinc/52/08/51/324520851.db2.gz IQTVIXSISOMXAN-UHFFFAOYSA-N -1 1 366.396 2.181 20 0 FEADMM Cn1cc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000195477218 328479385 /nfs/dbraw/zinc/47/93/85/328479385.db2.gz RJWVVROUIDJZBK-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000230153867 328486443 /nfs/dbraw/zinc/48/64/43/328486443.db2.gz SBLCNHLZVZFQKV-MRVPVSSYSA-N -1 1 371.684 2.184 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@@H]2CCC[C@H]21 ZINC000230890272 328487093 /nfs/dbraw/zinc/48/70/93/328487093.db2.gz VXAILRLSNMTKDW-DGCLKSJQSA-N -1 1 373.190 2.390 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000078419300 325045392 /nfs/dbraw/zinc/04/53/92/325045392.db2.gz QJTKUCGFWSIJRM-INIZCTEOSA-N -1 1 368.433 2.256 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000080637200 325138107 /nfs/dbraw/zinc/13/81/07/325138107.db2.gz WKNBBBOQRVJVLA-UHFFFAOYSA-N -1 1 371.437 2.467 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](O)C3)c2)cc1 ZINC000085381532 325252607 /nfs/dbraw/zinc/25/26/07/325252607.db2.gz RGESSYYRPZMHEZ-INIZCTEOSA-N -1 1 360.435 2.003 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ncco3)ccc2C)co1 ZINC000089427143 325316126 /nfs/dbraw/zinc/31/61/26/325316126.db2.gz DPGXTRSEAIMHIC-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)[C@@H]1COc2ccc(F)cc2C1 ZINC000090565232 325364467 /nfs/dbraw/zinc/36/44/67/325364467.db2.gz JWUHWJKCEPAVFI-NSHDSACASA-N -1 1 362.430 2.325 20 0 FEADMM CC[C@H](CSC)N(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000091149878 325375207 /nfs/dbraw/zinc/37/52/07/325375207.db2.gz CRVVWADRMHWXIS-CQSZACIVSA-N -1 1 360.483 2.283 20 0 FEADMM Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091160940 325376129 /nfs/dbraw/zinc/37/61/29/325376129.db2.gz MPXWJUJVMFTLTJ-UHFFFAOYSA-N -1 1 354.407 2.108 20 0 FEADMM NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000094132465 325453375 /nfs/dbraw/zinc/45/33/75/325453375.db2.gz QJVBXHJGEBGEDF-UHFFFAOYSA-N -1 1 363.211 2.282 20 0 FEADMM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000103159186 325509196 /nfs/dbraw/zinc/50/91/96/325509196.db2.gz VYNADHIHPDGUPZ-ZETCQYMHSA-N -1 1 358.204 2.431 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1(c2ccccc2)CCC1 ZINC000103942071 325529304 /nfs/dbraw/zinc/52/93/04/325529304.db2.gz PUZAVMROOJAHBD-UHFFFAOYSA-N -1 1 350.422 2.378 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105615734 325570483 /nfs/dbraw/zinc/57/04/83/325570483.db2.gz MLPWMJXVMJDDJP-AWEZNQCLSA-N -1 1 373.352 2.167 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCOc1ccccc1Cl ZINC000114412407 325890269 /nfs/dbraw/zinc/89/02/69/325890269.db2.gz VNIWZLIOJYSKQI-UHFFFAOYSA-N -1 1 374.828 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2c(C)cc(C)cc2C)co1 ZINC000120816461 326290684 /nfs/dbraw/zinc/29/06/84/326290684.db2.gz KYQGXDBHVHHBGY-UHFFFAOYSA-N -1 1 350.440 2.085 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)cc21 ZINC000121076178 326311828 /nfs/dbraw/zinc/31/18/28/326311828.db2.gz MUTVRLHITGNZOI-UHFFFAOYSA-N -1 1 368.418 2.163 20 0 FEADMM CC(C)[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134254237 326622211 /nfs/dbraw/zinc/62/22/11/326622211.db2.gz OKKAONNVRPLRRJ-ZWKOTPCHSA-N -1 1 370.449 2.283 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3c(F)cccc3CO)c(Cl)cc2N1 ZINC000134663641 326629522 /nfs/dbraw/zinc/62/95/22/326629522.db2.gz YEOODEJAPJVCDC-UHFFFAOYSA-N -1 1 370.789 2.267 20 0 FEADMM CS(=O)(=O)c1nc(C(=O)Nc2ccc(Cl)cc2[O-])c2ccccn21 ZINC000153639531 326738480 /nfs/dbraw/zinc/73/84/80/326738480.db2.gz WTOFMVUEDGBPPD-UHFFFAOYSA-N -1 1 365.798 2.349 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)co1 ZINC000154109839 326751675 /nfs/dbraw/zinc/75/16/75/326751675.db2.gz JIOQUHGQSCZNGF-LBPRGKRZSA-N -1 1 370.452 2.019 20 0 FEADMM Cc1nc2cc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)ccc2o1 ZINC000154691804 326766591 /nfs/dbraw/zinc/76/65/91/326766591.db2.gz UQQRFUORWWXMIG-UHFFFAOYSA-N -1 1 351.322 2.034 20 0 FEADMM CCOc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000155155053 326779604 /nfs/dbraw/zinc/77/96/04/326779604.db2.gz VCMIMPYWJYUFBQ-UHFFFAOYSA-N -1 1 358.803 2.492 20 0 FEADMM CC[C@H](O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000156761860 326843284 /nfs/dbraw/zinc/84/32/84/326843284.db2.gz AHBNRPBCWIUKEO-ZETCQYMHSA-N -1 1 358.204 2.167 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)co1 ZINC000157327084 326862274 /nfs/dbraw/zinc/86/22/74/326862274.db2.gz SEUSRJDDXFWKFJ-UHFFFAOYSA-N -1 1 359.201 2.203 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)co1 ZINC000157993745 326881597 /nfs/dbraw/zinc/88/15/97/326881597.db2.gz BVAVQSBCRRQMIY-UHFFFAOYSA-N -1 1 363.222 2.425 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)co1 ZINC000158748581 326906119 /nfs/dbraw/zinc/90/61/19/326906119.db2.gz LPXOWSTVZLFFTO-UHFFFAOYSA-N -1 1 371.418 2.426 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C(F)(F)C2(O)CCC2)CC1 ZINC000162444787 327026037 /nfs/dbraw/zinc/02/60/37/327026037.db2.gz PKWDRDDHJIRBSS-UHFFFAOYSA-N -1 1 353.365 2.364 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc(-c3ncon3)c2)c(=O)[n-]1 ZINC000170632519 327089835 /nfs/dbraw/zinc/08/98/35/327089835.db2.gz ZAUDLHMOMSCFOR-UHFFFAOYSA-N -1 1 371.422 2.422 20 0 FEADMM O=S(=O)([N-]Cc1ccccc1N1CCOCC1)c1cccc(F)c1F ZINC000171075233 327115936 /nfs/dbraw/zinc/11/59/36/327115936.db2.gz JDQOAAQAPSSVNU-UHFFFAOYSA-N -1 1 368.405 2.280 20 0 FEADMM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1cccc(F)c1F ZINC000171086198 327116808 /nfs/dbraw/zinc/11/68/08/327116808.db2.gz YJVPPUIPQFKHFY-UHFFFAOYSA-N -1 1 358.332 2.270 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])CCCO1 ZINC000171210477 327124769 /nfs/dbraw/zinc/12/47/69/327124769.db2.gz UDXYQADLJVJZEE-SECBINFHSA-N -1 1 361.179 2.248 20 0 FEADMM CSc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000171467303 327141500 /nfs/dbraw/zinc/14/15/00/327141500.db2.gz ZTBHMCHRONYDHE-UHFFFAOYSA-N -1 1 356.451 2.220 20 0 FEADMM O=C(CCn1ccnn1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000171959582 327173010 /nfs/dbraw/zinc/17/30/10/327173010.db2.gz 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/nfs/dbraw/zinc/82/85/45/545828545.db2.gz FKOOMJDCZWKIQY-UHFFFAOYSA-N -1 1 356.422 2.303 20 0 FEADMM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000159230568 545932925 /nfs/dbraw/zinc/93/29/25/545932925.db2.gz WTPAOFOCKOFMDM-MRVPVSSYSA-N -1 1 362.300 2.367 20 0 FEADMM Cc1noc(CSc2ccc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cc2)n1 ZINC000478584064 561170232 /nfs/dbraw/zinc/17/02/32/561170232.db2.gz KEWLMMCCBXTSME-SNVBAGLBSA-N -1 1 373.442 2.059 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1)OCO2 ZINC000479235429 561185573 /nfs/dbraw/zinc/18/55/73/561185573.db2.gz DGHYPAVVULRVJB-UHFFFAOYSA-N -1 1 362.407 2.226 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-n3cccn3)nc1)OCO2 ZINC000479277034 561186380 /nfs/dbraw/zinc/18/63/80/561186380.db2.gz IGPWLXHGLRUUGG-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM O=C(NCCc1ncc[nH]1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000171754420 546224603 /nfs/dbraw/zinc/22/46/03/546224603.db2.gz QKXHHBOQXHOAGZ-UHFFFAOYSA-N -1 1 370.434 2.183 20 0 FEADMM COc1ccc(NC(=O)Cc2[nH]nc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000479645838 561194001 /nfs/dbraw/zinc/19/40/01/561194001.db2.gz IZGDJKHOAHDHSM-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM COc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1[N-]S(C)(=O)=O ZINC000479645838 561194002 /nfs/dbraw/zinc/19/40/02/561194002.db2.gz IZGDJKHOAHDHSM-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000175643776 546325804 /nfs/dbraw/zinc/32/58/04/546325804.db2.gz HBRSWMQAQWDYQO-HJTOQOCKSA-N -1 1 351.440 2.323 20 0 FEADMM CCc1ncc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)s1 ZINC000480190858 561204433 /nfs/dbraw/zinc/20/44/33/561204433.db2.gz ADQFRIGQDGDROH-UHFFFAOYSA-N -1 1 364.246 2.369 20 0 FEADMM CCC[C@@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1nn[n-]n1 ZINC000176750319 546483301 /nfs/dbraw/zinc/48/33/01/546483301.db2.gz MKQBKODRXYRSSR-MRXNPFEDSA-N -1 1 353.430 2.333 20 0 FEADMM CCC[C@H](NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)c1nn[n-]n1 ZINC000176780845 546487129 /nfs/dbraw/zinc/48/71/29/546487129.db2.gz ORAOVQGDFGXQMJ-ZDUSSCGKSA-N -1 1 373.392 2.287 20 0 FEADMM CCC[C@H](NC(=O)c1[nH]nc(C(C)C)c1Br)c1nn[n-]n1 ZINC000176785990 546487901 /nfs/dbraw/zinc/48/79/01/546487901.db2.gz ZCCIVDHIMMUOJR-ZETCQYMHSA-N -1 1 356.228 2.080 20 0 FEADMM COc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(OC2CCCC2)c1 ZINC000480554422 561211780 /nfs/dbraw/zinc/21/17/80/561211780.db2.gz MCRBJIIGMCKWJP-GFCCVEGCSA-N -1 1 359.430 2.405 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000480660613 561213909 /nfs/dbraw/zinc/21/39/09/561213909.db2.gz PNCRUGIVOCPJEM-CZUORRHYSA-N -1 1 365.407 2.122 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000480898063 561219846 /nfs/dbraw/zinc/21/98/46/561219846.db2.gz LXFBZGZLPCJGSZ-CYBMUJFWSA-N -1 1 357.428 2.226 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(OC)CCC(C)CC2)o1 ZINC000480953806 561221155 /nfs/dbraw/zinc/22/11/55/561221155.db2.gz APHFHEJFNGBXOU-UHFFFAOYSA-N -1 1 359.444 2.330 20 0 FEADMM CC[C@H](Oc1ccccc1F)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000177857604 546696936 /nfs/dbraw/zinc/69/69/36/546696936.db2.gz YXGUNAIRMRBGPB-HNNXBMFYSA-N -1 1 372.400 2.252 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178273749 546767740 /nfs/dbraw/zinc/76/77/40/546767740.db2.gz UFIOUIZWNJKGHA-HZPDHXFCSA-N -1 1 352.438 2.331 20 0 FEADMM O=S(=O)([N-][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)nc1Cl ZINC000178704011 546835814 /nfs/dbraw/zinc/83/58/14/546835814.db2.gz WKKDOCKHYIVVBS-GWCFXTLKSA-N -1 1 359.234 2.325 20 0 FEADMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)n1C(C)C ZINC000179538867 546973474 /nfs/dbraw/zinc/97/34/74/546973474.db2.gz BPVABDOOYHSKOH-UHFFFAOYSA-N -1 1 351.428 2.291 20 0 FEADMM Cn1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)c1=O ZINC000179880148 547023825 /nfs/dbraw/zinc/02/38/25/547023825.db2.gz RYNQTQRCNIQQIC-UHFFFAOYSA-N -1 1 364.814 2.025 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cnc2ccccc2n1 ZINC000181073297 547244218 /nfs/dbraw/zinc/24/42/18/547244218.db2.gz FWPFWDJRRYHAPQ-UHFFFAOYSA-N -1 1 360.370 2.393 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(C)c2)c(C)c1F ZINC000181146596 547257795 /nfs/dbraw/zinc/25/77/95/547257795.db2.gz XYIIHJBDGREQQM-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM CCN(Cc1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O)C(C)=O ZINC000181781911 547380478 /nfs/dbraw/zinc/38/04/78/547380478.db2.gz OHRAGDGGHVDFJU-UHFFFAOYSA-N -1 1 367.409 2.295 20 0 FEADMM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182292886 547468851 /nfs/dbraw/zinc/46/88/51/547468851.db2.gz LUWFEHCNTOKUKZ-KRWDZBQOSA-N -1 1 368.389 2.372 20 0 FEADMM COc1cccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1O ZINC000484058691 561290524 /nfs/dbraw/zinc/29/05/24/561290524.db2.gz BIZQMVHUJCPHDX-UHFFFAOYSA-N -1 1 351.380 2.219 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nn[n-]n1 ZINC000183402761 547651619 /nfs/dbraw/zinc/65/16/19/547651619.db2.gz ZTUNTXBWZIXXBT-NSHDSACASA-N -1 1 370.438 2.389 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000484495968 561298573 /nfs/dbraw/zinc/29/85/73/561298573.db2.gz GMDRPYFDGINNTN-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cs1 ZINC000484515251 561299024 /nfs/dbraw/zinc/29/90/24/561299024.db2.gz AFFPDQXTIOEILO-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC1Cc2ccccc2C1 ZINC000183594941 547686656 /nfs/dbraw/zinc/68/66/56/547686656.db2.gz UTYSNQTUJXOFEA-UHFFFAOYSA-N -1 1 350.422 2.268 20 0 FEADMM CCC1(CC)CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC[S@@]1=O ZINC000184057891 547762040 /nfs/dbraw/zinc/76/20/40/547762040.db2.gz PMQYGMVTVFQCBJ-VWLOTQADSA-N -1 1 361.467 2.407 20 0 FEADMM CCC1(CC)CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC[S@@]1=O ZINC000184057891 547762043 /nfs/dbraw/zinc/76/20/43/547762043.db2.gz PMQYGMVTVFQCBJ-VWLOTQADSA-N -1 1 361.467 2.407 20 0 FEADMM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(C)C ZINC000484788557 561306032 /nfs/dbraw/zinc/30/60/32/561306032.db2.gz QPSXWVZENQVGID-STQMWFEESA-N -1 1 359.444 2.328 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccc(F)c(C)c1 ZINC000184253631 547795110 /nfs/dbraw/zinc/79/51/10/547795110.db2.gz AGNVULONEKWRKA-HNNXBMFYSA-N -1 1 355.362 2.466 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)s[n-]1 ZINC000485088528 561312288 /nfs/dbraw/zinc/31/22/88/561312288.db2.gz JLZZJOWFRIBOKQ-UHFFFAOYSA-N -1 1 373.413 2.482 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H](C)c2ncc(C)s2)c(=O)[n-]1 ZINC000184776855 547877995 /nfs/dbraw/zinc/87/79/95/547877995.db2.gz GYFWAQOHNPEXFS-VIFPVBQESA-N -1 1 366.512 2.418 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000184979502 547910894 /nfs/dbraw/zinc/91/08/94/547910894.db2.gz BFXAGKIJCUEEKC-HNNXBMFYSA-N -1 1 366.483 2.367 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(CC(F)(F)F)cc1 ZINC000485357006 561317484 /nfs/dbraw/zinc/31/74/84/561317484.db2.gz WXVFQRGMSWMMRF-UHFFFAOYSA-N -1 1 353.300 2.261 20 0 FEADMM Cn1cc([C@H](NCC(=O)[N-]OCc2ccccc2)c2ccc(F)cc2)cn1 ZINC000185449150 547987208 /nfs/dbraw/zinc/98/72/08/547987208.db2.gz KAEOJTGKAWCIPG-HXUWFJFHSA-N -1 1 368.412 2.486 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@@H](C2CC2)C1 ZINC000485482153 561320195 /nfs/dbraw/zinc/32/01/95/561320195.db2.gz RLMOJOZMGYZGRO-CYBMUJFWSA-N -1 1 373.190 2.248 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000185557416 548002016 /nfs/dbraw/zinc/00/20/16/548002016.db2.gz KREWEQOCTTYDEF-HNNXBMFYSA-N -1 1 373.478 2.274 20 0 FEADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000485535884 561321574 /nfs/dbraw/zinc/32/15/74/561321574.db2.gz CXOIAFQNXHVFMM-MRXNPFEDSA-N -1 1 355.438 2.305 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H](C)c1nccs1 ZINC000186006026 548071298 /nfs/dbraw/zinc/07/12/98/548071298.db2.gz VBXBNEYKTIPSRM-JTQLQIEISA-N -1 1 359.455 2.361 20 0 FEADMM Cn1cncc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000485833545 561329326 /nfs/dbraw/zinc/32/93/26/561329326.db2.gz UBJNTRUIKSRBFU-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2nnc(C(F)F)s2)c(=O)[n-]1 ZINC000193928529 548407215 /nfs/dbraw/zinc/40/72/15/548407215.db2.gz IMDZMVKYZPJZQF-UHFFFAOYSA-N -1 1 361.399 2.161 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c1 ZINC000486492366 561348885 /nfs/dbraw/zinc/34/88/85/561348885.db2.gz DEHQPUSVJITMQG-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM C[C@@H]1CN(CCN(C)C(=O)c2ccc(Br)c([O-])c2)C[C@H](C)O1 ZINC000194763845 548528643 /nfs/dbraw/zinc/52/86/43/548528643.db2.gz MEYRVSDVZJSSTR-TXEJJXNPSA-N -1 1 371.275 2.336 20 0 FEADMM CCOCc1ccc(CNC(=O)CSc2nc(CC)cc(=O)[n-]2)cc1 ZINC000195062442 548571582 /nfs/dbraw/zinc/57/15/82/548571582.db2.gz FGGOQHHMGKWYNS-UHFFFAOYSA-N -1 1 361.467 2.277 20 0 FEADMM CN(C(=O)CS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1)c1ccccc1 ZINC000195126766 548581531 /nfs/dbraw/zinc/58/15/31/548581531.db2.gz NOCFMUXYXQDHRO-UHFFFAOYSA-N -1 1 374.397 2.048 20 0 FEADMM CN(C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1)c1ccccc1 ZINC000195126766 548581532 /nfs/dbraw/zinc/58/15/32/548581532.db2.gz NOCFMUXYXQDHRO-UHFFFAOYSA-N -1 1 374.397 2.048 20 0 FEADMM CC(C)CCC[C@H](C)NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195172235 548589548 /nfs/dbraw/zinc/58/95/48/548589548.db2.gz XHCRZJQULSNCPL-LBPRGKRZSA-N -1 1 358.508 2.207 20 0 FEADMM O=S(=O)(CCCc1cn[nH]c1)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000195211716 548597147 /nfs/dbraw/zinc/59/71/47/548597147.db2.gz YGRUYUUSTBIOLB-UHFFFAOYSA-N -1 1 357.439 2.090 20 0 FEADMM O=S(=O)(CCCc1cn[nH]c1)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000195211716 548597151 /nfs/dbraw/zinc/59/71/51/548597151.db2.gz YGRUYUUSTBIOLB-UHFFFAOYSA-N -1 1 357.439 2.090 20 0 FEADMM COc1ccc(NC(=O)N2CC(C)(C)OC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000486951860 561360187 /nfs/dbraw/zinc/36/01/87/561360187.db2.gz VOIXLRYELRIIHI-NSHDSACASA-N -1 1 371.459 2.098 20 0 FEADMM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000487225706 561366418 /nfs/dbraw/zinc/36/64/18/561366418.db2.gz FDANHBDYTWKFSS-CYBMUJFWSA-N -1 1 374.784 2.440 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)sc1Br ZINC000228543952 548754496 /nfs/dbraw/zinc/75/44/96/548754496.db2.gz ONPVLFJBCPZFNI-YFKPBYRVSA-N -1 1 368.196 2.021 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000488323661 561387870 /nfs/dbraw/zinc/38/78/70/561387870.db2.gz SYIZSNCHFQOIPD-SNVBAGLBSA-N -1 1 365.411 2.362 20 0 FEADMM COc1ccc(Cn2ccc([N-]S(=O)(=O)N3CCC[C@@H]3C)n2)cc1 ZINC000488368481 561388782 /nfs/dbraw/zinc/38/87/82/561388782.db2.gz PLIIORXGZLOJHW-ZDUSSCGKSA-N -1 1 350.444 2.081 20 0 FEADMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)CC(C)(C)C(=O)OC ZINC000489435989 561411093 /nfs/dbraw/zinc/41/10/93/561411093.db2.gz WAIGBPVKWASZIU-UHFFFAOYSA-N -1 1 373.427 2.115 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000489544456 561413911 /nfs/dbraw/zinc/41/39/11/561413911.db2.gz CIMZQTIEZQWTBS-LBPRGKRZSA-N -1 1 366.377 2.049 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248903992 549525177 /nfs/dbraw/zinc/52/51/77/549525177.db2.gz XVBWVGZBRBLBCI-TZMCWYRMSA-N -1 1 354.472 2.092 20 0 FEADMM CC(C)n1cc2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2n1 ZINC000489602100 561415288 /nfs/dbraw/zinc/41/52/88/561415288.db2.gz DOXLGLKGHYACBM-UHFFFAOYSA-N -1 1 353.382 2.086 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489698644 561417239 /nfs/dbraw/zinc/41/72/39/561417239.db2.gz FIEAFVUQGMKQPG-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1)C(F)(F)F ZINC000489823786 561419825 /nfs/dbraw/zinc/41/98/25/561419825.db2.gz CRKQWJORADNUQR-UFBFGSQYSA-N -1 1 368.377 2.432 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000255720808 549708919 /nfs/dbraw/zinc/70/89/19/549708919.db2.gz NMSZFWCUHNXFHA-UPHRSURJSA-N -1 1 350.371 2.221 20 0 FEADMM C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(N)=O ZINC000490076020 561425832 /nfs/dbraw/zinc/42/58/32/561425832.db2.gz ZUJLJRUDTHNKAZ-MEBBXXQBSA-N -1 1 370.833 2.415 20 0 FEADMM O=C([O-])[C@@H]1CCCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000262673831 549837616 /nfs/dbraw/zinc/83/76/16/549837616.db2.gz QIYFMNLDYLHZNX-RISCZKNCSA-N -1 1 372.343 2.487 20 0 FEADMM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NC[C@H](c1ccco1)N1CCCC1)C2 ZINC000262892125 549860119 /nfs/dbraw/zinc/86/01/19/549860119.db2.gz CCYFDFPUEFTXQZ-QMTMVMCOSA-N -1 1 361.442 2.313 20 0 FEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000263217882 549886092 /nfs/dbraw/zinc/88/60/92/549886092.db2.gz OKHQIGXCZSZRCD-BDAKNGLRSA-N -1 1 367.345 2.142 20 0 FEADMM CC(C)N(CCS(=O)(=O)c1cccc(Br)c1)CC(=O)[O-] ZINC000263574187 549910501 /nfs/dbraw/zinc/91/05/01/549910501.db2.gz NJTDKIQOJAWAQN-UHFFFAOYSA-N -1 1 364.261 2.018 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000490870683 561439536 /nfs/dbraw/zinc/43/95/36/561439536.db2.gz IYDHQVQOBKYONL-QWRGUYRKSA-N -1 1 359.348 2.002 20 0 FEADMM Cc1cc(C(=O)N2CCCc3cccc(O)c32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000490874103 561439541 /nfs/dbraw/zinc/43/95/41/561439541.db2.gz RYRQNKDMOBSQIP-UHFFFAOYSA-N -1 1 352.350 2.043 20 0 FEADMM COc1ccccc1[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000264203873 549992670 /nfs/dbraw/zinc/99/26/70/549992670.db2.gz VFRDFPPOVWWRHI-LLVKDONJSA-N -1 1 354.410 2.068 20 0 FEADMM CCC(CC)(CNC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000491076369 561442569 /nfs/dbraw/zinc/44/25/69/561442569.db2.gz OMMSJUSASRAYLP-UHFFFAOYSA-N -1 1 355.438 2.391 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@]1(C)CCCS1 ZINC000268312448 550048363 /nfs/dbraw/zinc/04/83/63/550048363.db2.gz XIGGMWWVNSZUIT-SFHVURJKSA-N -1 1 358.467 2.497 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)[nH]n1 ZINC000268443434 550066490 /nfs/dbraw/zinc/06/64/90/550066490.db2.gz MSSFMIBSMWFEKE-UHFFFAOYSA-N -1 1 367.427 2.105 20 0 FEADMM CN(CC(C)(C)O)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268642848 550098025 /nfs/dbraw/zinc/09/80/25/550098025.db2.gz PDTHFUAVRWOOGY-UHFFFAOYSA-N -1 1 364.320 2.346 20 0 FEADMM CCOC(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1C ZINC000268641524 550098173 /nfs/dbraw/zinc/09/81/73/550098173.db2.gz RPIJQRKYORAVCK-UHFFFAOYSA-N -1 1 366.395 2.009 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CCO)C(C)C ZINC000268863526 550124931 /nfs/dbraw/zinc/12/49/31/550124931.db2.gz FDRZBNJVPPQONH-INIZCTEOSA-N -1 1 358.442 2.008 20 0 FEADMM COc1ccc([C@@H]2[C@@H](C(=O)[N-]OCc3cccnc3)CCC(=O)N2C)cc1 ZINC000269604144 550209952 /nfs/dbraw/zinc/20/99/52/550209952.db2.gz NMDSDZGSLNZRJI-PKOBYXMFSA-N -1 1 369.421 2.248 20 0 FEADMM COC[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000270368652 550266182 /nfs/dbraw/zinc/26/61/82/550266182.db2.gz IZXATTCIBZSWJY-MRVPVSSYSA-N -1 1 361.769 2.035 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)c1 ZINC000494084381 561462277 /nfs/dbraw/zinc/46/22/77/561462277.db2.gz ZWEQLGMXMOHQKY-UHFFFAOYSA-N -1 1 371.466 2.189 20 0 FEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000271264795 550359180 /nfs/dbraw/zinc/35/91/80/550359180.db2.gz LRCPXFMEVHZKQK-JOYOIKCWSA-N -1 1 361.826 2.267 20 0 FEADMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000271284368 550361114 /nfs/dbraw/zinc/36/11/14/550361114.db2.gz CVPZVVFHCBXDBE-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM COCCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000272107890 550423070 /nfs/dbraw/zinc/42/30/70/550423070.db2.gz NTKMKVNXNZXAFP-ZDUSSCGKSA-N -1 1 370.471 2.178 20 0 FEADMM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272135815 550424788 /nfs/dbraw/zinc/42/47/88/550424788.db2.gz NRCHPTSBTRPPHL-MKBNYLNASA-N -1 1 370.471 2.352 20 0 FEADMM COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(C)o1 ZINC000272143153 550425302 /nfs/dbraw/zinc/42/53/02/550425302.db2.gz KKLBMHRYYOTOIL-GFCCVEGCSA-N -1 1 371.411 2.332 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000274343462 550533562 /nfs/dbraw/zinc/53/35/62/550533562.db2.gz IVVXELRGSLLEGZ-GFCCVEGCSA-N -1 1 367.471 2.406 20 0 FEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276950984 550614612 /nfs/dbraw/zinc/61/46/12/550614612.db2.gz OGBIGZZNEWPMND-CYBMUJFWSA-N -1 1 358.398 2.432 20 0 FEADMM O=c1[nH]c(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nc2n[nH]cc21 ZINC000277272421 550650176 /nfs/dbraw/zinc/65/01/76/550650176.db2.gz YBYVNIGIWMUARL-ZDUSSCGKSA-N -1 1 356.455 2.088 20 0 FEADMM CCc1noc(C)c1CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000278271747 550767432 /nfs/dbraw/zinc/76/74/32/550767432.db2.gz XSZCLMLSQCNZSE-UHFFFAOYSA-N -1 1 352.441 2.290 20 0 FEADMM CCc1noc(C)c1CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000278271747 550767435 /nfs/dbraw/zinc/76/74/35/550767435.db2.gz XSZCLMLSQCNZSE-UHFFFAOYSA-N -1 1 352.441 2.290 20 0 FEADMM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000278530703 550795888 /nfs/dbraw/zinc/79/58/88/550795888.db2.gz HNOVJOFQKURAIG-WMLDXEAASA-N -1 1 359.422 2.031 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)[n-]1 ZINC000278612372 550804288 /nfs/dbraw/zinc/80/42/88/550804288.db2.gz IWGYNEXCFXITEA-SECBINFHSA-N -1 1 362.411 2.274 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000278612372 550804290 /nfs/dbraw/zinc/80/42/90/550804290.db2.gz IWGYNEXCFXITEA-SECBINFHSA-N -1 1 362.411 2.274 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nnnn1C(C)C)c1nc(C)cs1 ZINC000495449581 561488116 /nfs/dbraw/zinc/48/81/16/561488116.db2.gz DXDGNMQYCIXHHI-NSHDSACASA-N -1 1 369.472 2.027 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)c3cccc(OC[C@@H]4CCCO4)c3)ccnc1-2 ZINC000279746033 550924250 /nfs/dbraw/zinc/92/42/50/550924250.db2.gz KSCIERFLUHPSNU-AKKXKAEUSA-N -1 1 352.394 2.152 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000279764747 550926688 /nfs/dbraw/zinc/92/66/88/550926688.db2.gz MHVVYPZMECXLNK-INIZCTEOSA-N -1 1 370.453 2.369 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)co1 ZINC000280155823 550966117 /nfs/dbraw/zinc/96/61/17/550966117.db2.gz BGTKYMQFRRGOEW-WFASDCNBSA-N -1 1 366.414 2.393 20 0 FEADMM CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCC1=O ZINC000280609728 551013011 /nfs/dbraw/zinc/01/30/11/551013011.db2.gz QHXBZLJHQUBDKH-MRVPVSSYSA-N -1 1 355.218 2.032 20 0 FEADMM Cc1nc(CN2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cs1 ZINC000280705963 551023469 /nfs/dbraw/zinc/02/34/69/551023469.db2.gz FZUNMOJRSDNCMC-UHFFFAOYSA-N -1 1 353.394 2.393 20 0 FEADMM COc1ccc(NC(=O)c2conc2C2CC2)cc1[N-]S(C)(=O)=O ZINC000280847897 551038764 /nfs/dbraw/zinc/03/87/64/551038764.db2.gz VVCYCNKARQKHQE-UHFFFAOYSA-N -1 1 351.384 2.184 20 0 FEADMM O=C(C(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc([O-])cc1 ZINC000280929076 551046477 /nfs/dbraw/zinc/04/64/77/551046477.db2.gz GYQXMVWKJLITPI-AWEZNQCLSA-N -1 1 350.378 2.024 20 0 FEADMM C[C@@H](C(=O)OC(C)(C)C)c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000280950709 551048782 /nfs/dbraw/zinc/04/87/82/551048782.db2.gz TZVGKVTXVOPUGY-SECBINFHSA-N -1 1 373.456 2.055 20 0 FEADMM O=C([N-]CC1CCN(C(=O)C2=Cc3ccccc3OC2)CC1)C(F)(F)F ZINC000281610264 551120388 /nfs/dbraw/zinc/12/03/88/551120388.db2.gz DZUHGBIPIIQAQF-UHFFFAOYSA-N -1 1 368.355 2.380 20 0 FEADMM Cc1c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cnn1C(C)(C)C ZINC000281664253 551128107 /nfs/dbraw/zinc/12/81/07/551128107.db2.gz JDPCXYJFMYUHJP-UHFFFAOYSA-N -1 1 374.407 2.477 20 0 FEADMM CN1C[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])[C@@H](c2ccccc2)C1 ZINC000497414843 561500458 /nfs/dbraw/zinc/50/04/58/561500458.db2.gz FFIKXTTUYYBNIY-MSOLQXFVSA-N -1 1 362.433 2.406 20 0 FEADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[S@@](=O)C1 ZINC000282715862 551263079 /nfs/dbraw/zinc/26/30/79/551263079.db2.gz BDIIIBUQVOHJDC-DJNLSKAYSA-N -1 1 352.843 2.434 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000282775277 551268899 /nfs/dbraw/zinc/26/88/99/551268899.db2.gz LVPUAHLJOXRMRU-CYBMUJFWSA-N -1 1 362.426 2.402 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000282872655 551280359 /nfs/dbraw/zinc/28/03/59/551280359.db2.gz ARVRCTZUPOVRBR-ZDUSSCGKSA-N -1 1 353.451 2.274 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282931124 551286602 /nfs/dbraw/zinc/28/66/02/551286602.db2.gz OSDUSNNKZSDCPE-JTQLQIEISA-N -1 1 365.231 2.189 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000283500769 551377589 /nfs/dbraw/zinc/37/75/89/551377589.db2.gz REJDUZIMSIJGGR-MRXNPFEDSA-N -1 1 368.462 2.492 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)c1 ZINC000283893869 551445328 /nfs/dbraw/zinc/44/53/28/551445328.db2.gz COEANANYLIHPLV-UHFFFAOYSA-N -1 1 359.451 2.135 20 0 FEADMM O=S(=O)([N-]C1CCN(c2cccnn2)CC1)c1cc(Cl)ccc1F ZINC000284347051 551529198 /nfs/dbraw/zinc/52/91/98/551529198.db2.gz PVVPFWXVCBEYJI-UHFFFAOYSA-N -1 1 370.837 2.216 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)c(C)c2)cc1F ZINC000498504561 561526221 /nfs/dbraw/zinc/52/62/21/561526221.db2.gz KDXDTVGXVZTFRL-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284856079 551651751 /nfs/dbraw/zinc/65/17/51/551651751.db2.gz DDNMCYJPKAPYHR-BNOWGMLFSA-N -1 1 370.243 2.157 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2c(F)cccc2N2CCCC2)c1Cl ZINC000285640206 551787705 /nfs/dbraw/zinc/78/77/05/551787705.db2.gz NYSRGEUNFSRKPC-UHFFFAOYSA-N -1 1 372.853 2.291 20 0 FEADMM C[C@H]1CCN(C(=O)NCc2cccc(O)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000286537069 551897536 /nfs/dbraw/zinc/89/75/36/551897536.db2.gz CGDZUARBLIPAKU-MJVIPROJSA-N -1 1 373.375 2.379 20 0 FEADMM Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cn1 ZINC000286698842 551916395 /nfs/dbraw/zinc/91/63/95/551916395.db2.gz ZTQUHQYHULOQFW-JKOKRWQUSA-N -1 1 372.391 2.377 20 0 FEADMM COc1ccc(OC)c([C@H](C)NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287006772 551951038 /nfs/dbraw/zinc/95/10/38/551951038.db2.gz BMBXBWYZIHZOHY-JUZVTGPSSA-N -1 1 355.398 2.242 20 0 FEADMM Cc1ccc([C@@H](C)N(C)C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c(C)c1 ZINC000287511506 552013704 /nfs/dbraw/zinc/01/37/04/552013704.db2.gz QUGUDFIYKQJAAE-RYPAHKROSA-N -1 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368.861 2.279 20 0 FEADMM CC[C@@H]1C[C@@H](C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000330763390 554168296 /nfs/dbraw/zinc/16/82/96/554168296.db2.gz QETBMJLZEBVBDM-WCQYABFASA-N -1 1 356.444 2.210 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(=O)[n-]1 ZINC000330777779 554169853 /nfs/dbraw/zinc/16/98/53/554169853.db2.gz ARKVPOABGDCRFR-ONGXEEELSA-N -1 1 352.460 2.307 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000330835380 554177237 /nfs/dbraw/zinc/17/72/37/554177237.db2.gz WPHKHUZWBFGAES-MRVPVSSYSA-N -1 1 359.753 2.053 20 0 FEADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000331197881 554229665 /nfs/dbraw/zinc/22/96/65/554229665.db2.gz MBCQUCHMBSHDJP-GFCCVEGCSA-N -1 1 373.375 2.359 20 0 FEADMM COc1cc(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)ccc1[N-]S(C)(=O)=O ZINC000331218669 554232578 /nfs/dbraw/zinc/23/25/78/554232578.db2.gz SBJWIPXPRDOSRT-IUODEOHRSA-N -1 1 356.444 2.066 20 0 FEADMM CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000331571720 554287296 /nfs/dbraw/zinc/28/72/96/554287296.db2.gz DFTRALIGXJHPDC-QGZVFWFLSA-N -1 1 373.453 2.404 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-n3cnnn3)c2)c1 ZINC000509221074 561790732 /nfs/dbraw/zinc/79/07/32/561790732.db2.gz VJEJNUNVPLVQOE-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM CCn1cc([C@@H]2CN(C(=O)c3cc(Cl)c([O-])c(OC)c3)CCO2)cn1 ZINC000332300346 554420263 /nfs/dbraw/zinc/42/02/63/554420263.db2.gz HSHIFQSAGFTAQI-HNNXBMFYSA-N -1 1 365.817 2.484 20 0 FEADMM Cn1nccc1N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000332381166 554435459 /nfs/dbraw/zinc/43/54/59/554435459.db2.gz AWIDGIKSMBUVCG-LBPRGKRZSA-N -1 1 372.853 2.160 20 0 FEADMM CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000509923050 561818728 /nfs/dbraw/zinc/81/87/28/561818728.db2.gz DFIKPMVTMKUCIC-MRXNPFEDSA-N -1 1 369.421 2.279 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(OC2CCCC2)cc1 ZINC000509970112 561820345 /nfs/dbraw/zinc/82/03/45/561820345.db2.gz IEZPBWUQEDHGQD-UHFFFAOYSA-N -1 1 355.394 2.477 20 0 FEADMM Cc1cc(C2CCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)CC2)n[nH]1 ZINC000332456869 554449790 /nfs/dbraw/zinc/44/97/90/554449790.db2.gz OOYJOLOTIIQWMY-UHFFFAOYSA-N -1 1 362.455 2.109 20 0 FEADMM COc1cc(C(=O)N2CCC(N3CCCC3=O)CC2)cc(Cl)c1[O-] ZINC000332461517 554450269 /nfs/dbraw/zinc/45/02/69/554450269.db2.gz QGSNROGIHRSRTL-UHFFFAOYSA-N -1 1 352.818 2.281 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(NC(=O)C(C)C)CC3)cnc2n1 ZINC000332519086 554461268 /nfs/dbraw/zinc/46/12/68/554461268.db2.gz OJFIVGLNQOOBER-UHFFFAOYSA-N -1 1 356.426 2.021 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(NC(=O)C(C)C)CC1)c2=O ZINC000332519086 554461275 /nfs/dbraw/zinc/46/12/75/554461275.db2.gz OJFIVGLNQOOBER-UHFFFAOYSA-N -1 1 356.426 2.021 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n1 ZINC000332591479 554478053 /nfs/dbraw/zinc/47/80/53/554478053.db2.gz GAFSRHAFBAGEPN-SNVBAGLBSA-N -1 1 352.460 2.384 20 0 FEADMM CC[C@]([N-]S(=O)(=O)[C@H](C)COC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510471602 561835760 /nfs/dbraw/zinc/83/57/60/561835760.db2.gz JMGKWDWHMHBWBY-IAQYHMDHSA-N -1 1 363.863 2.073 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000510510057 561837351 /nfs/dbraw/zinc/83/73/51/561837351.db2.gz ZSIMSZGMBXLFOC-UHFFFAOYSA-N -1 1 355.309 2.233 20 0 FEADMM CC(C)(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000511161042 561859646 /nfs/dbraw/zinc/85/96/46/561859646.db2.gz MXKCHXPRAODWIQ-UHFFFAOYSA-N -1 1 355.394 2.385 20 0 FEADMM O=C(Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)NC1CCCC1 ZINC000350206316 554767969 /nfs/dbraw/zinc/76/79/69/554767969.db2.gz GXAGMSCDFSLDCG-UHFFFAOYSA-N -1 1 365.393 2.292 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@H]2CCOC[C@@H]2C)no1 ZINC000350600743 554801160 /nfs/dbraw/zinc/80/11/60/554801160.db2.gz RSWFJBGTRKGKBX-FZMZJTMJSA-N -1 1 367.409 2.254 20 0 FEADMM O=C1CNC(=O)N1Cc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350834137 554816635 /nfs/dbraw/zinc/81/66/35/554816635.db2.gz DARWMEYLOWAZFN-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM Cc1ocnc1-c1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000351041829 554832449 /nfs/dbraw/zinc/83/24/49/554832449.db2.gz RVPSDILZZYKLRD-UHFFFAOYSA-N -1 1 350.338 2.078 20 0 FEADMM COC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000511332034 561865623 /nfs/dbraw/zinc/86/56/23/561865623.db2.gz GZAKDELQVSLPKE-UHFFFAOYSA-N -1 1 360.435 2.267 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCO[C@@H]2CCC[C@H]21 ZINC000360128361 554863630 /nfs/dbraw/zinc/86/36/30/554863630.db2.gz GGFYCSTZMWXPGX-IAGOWNOFSA-N -1 1 368.437 2.265 20 0 FEADMM O=C(CCOC[C@@H]1CCCO1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000361616424 554927027 /nfs/dbraw/zinc/92/70/27/554927027.db2.gz XPRPVAGIRQAHAG-SFHVURJKSA-N -1 1 361.438 2.399 20 0 FEADMM COc1ccccc1-c1nc(=NC(=O)C(=O)c2cnn(C(C)(C)C)c2)[n-][nH]1 ZINC000613663503 554951740 /nfs/dbraw/zinc/95/17/40/554951740.db2.gz KQEFNCWTRQWWLJ-UHFFFAOYSA-N -1 1 368.397 2.253 20 0 FEADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(O)c3)ccc2O1 ZINC000362419519 554971445 /nfs/dbraw/zinc/97/14/45/554971445.db2.gz SCRXYBULGULYKF-INIZCTEOSA-N -1 1 363.391 2.060 20 0 FEADMM CCOc1ccc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1OC ZINC000511957282 561886781 /nfs/dbraw/zinc/88/67/81/561886781.db2.gz UCNLJENGNPYYPD-UHFFFAOYSA-N -1 1 356.382 2.011 20 0 FEADMM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000512016573 561889151 /nfs/dbraw/zinc/88/91/51/561889151.db2.gz HJAIUDSUKLSKKK-BBRMVZONSA-N -1 1 352.394 2.359 20 0 FEADMM Cc1cc(C)cc(N2CCC(=C([O-])Nc3[nH]nc4nc(O)ccc43)C2=O)c1 ZINC000615080771 555155608 /nfs/dbraw/zinc/15/56/08/555155608.db2.gz DVVWWJMYKPYUHO-AWEZNQCLSA-N -1 1 365.393 2.272 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(Cc2cscn2)no1 ZINC000363948408 555220141 /nfs/dbraw/zinc/22/01/41/555220141.db2.gz QZJCYBRIYYKOFD-UHFFFAOYSA-N -1 1 366.406 2.161 20 0 FEADMM O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364058593 555242462 /nfs/dbraw/zinc/24/24/62/555242462.db2.gz WMNUUSDKOVXTDU-YJBOKZPZSA-N -1 1 368.433 2.445 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H](O)C1CCCCC1 ZINC000364840138 555412762 /nfs/dbraw/zinc/41/27/62/555412762.db2.gz DNRMOTCGLKYMST-KBPBESRZSA-N -1 1 367.812 2.139 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000512583268 561909737 /nfs/dbraw/zinc/90/97/37/561909737.db2.gz RRABFYNPTSXKLP-OAHLLOKOSA-N -1 1 374.828 2.097 20 0 FEADMM CCN(CC1CC1)S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364966577 555452394 /nfs/dbraw/zinc/45/23/94/555452394.db2.gz INWFTXLFSUULJN-UHFFFAOYSA-N -1 1 366.483 2.264 20 0 FEADMM COc1ccccc1-c1cnc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)o1 ZINC000365634773 555627590 /nfs/dbraw/zinc/62/75/90/555627590.db2.gz OVRZEEICLZZDFQ-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000513330493 561933902 /nfs/dbraw/zinc/93/39/02/561933902.db2.gz XNWZTYZRECKCPL-UHFFFAOYSA-N -1 1 370.453 2.176 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC3(C(C)C)CC3)CC2)n1 ZINC000365780018 555666267 /nfs/dbraw/zinc/66/62/67/555666267.db2.gz CTUPGCXKYKLBNO-UHFFFAOYSA-N -1 1 363.462 2.307 20 0 FEADMM O=C(N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1[O-] ZINC000365859400 555685662 /nfs/dbraw/zinc/68/56/62/555685662.db2.gz FWULHUBQKXNDGK-ZDUSSCGKSA-N -1 1 360.389 2.186 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)cc2F)o1 ZINC000513521691 561941663 /nfs/dbraw/zinc/94/16/63/561941663.db2.gz ZIHZVAHKFFSPBQ-UHFFFAOYSA-N -1 1 364.301 2.181 20 0 FEADMM COc1cccc(COCC[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000513850591 561952527 /nfs/dbraw/zinc/95/25/27/561952527.db2.gz XUDSOGXYHPYNBQ-UHFFFAOYSA-N -1 1 356.469 2.264 20 0 FEADMM Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)o1 ZINC000366419826 555838416 /nfs/dbraw/zinc/83/84/16/555838416.db2.gz UHVWYKHYXVUMLS-UHFFFAOYSA-N -1 1 366.330 2.011 20 0 FEADMM O=C1CC[C@H](N=c2nc(C(Cl)(Cl)Cl)[n-]s2)[C@H](C2CC2)N1 ZINC000367419259 556043437 /nfs/dbraw/zinc/04/34/37/556043437.db2.gz NAMMVWFTKPGJBN-XPUUQOCRSA-N -1 1 355.678 2.256 20 0 FEADMM N=c1nc(N2CCN(C(=O)N[C@@H](C(F)F)C3CCCCC3)CC2)s[n-]1 ZINC000621512280 556099614 /nfs/dbraw/zinc/09/96/14/556099614.db2.gz YKWCDIPHYDAKGZ-LLVKDONJSA-N -1 1 374.461 2.166 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@]12CCOC2 ZINC000367664301 556108405 /nfs/dbraw/zinc/10/84/05/556108405.db2.gz IPUIWBVLDUGPLB-CQSZACIVSA-N -1 1 373.190 2.392 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000367823050 556147793 /nfs/dbraw/zinc/14/77/93/556147793.db2.gz UEYQBJDSQJLLRW-CQSZACIVSA-N -1 1 353.353 2.356 20 0 FEADMM CO[C@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)[C@H](C(=O)[O-])C1 ZINC000514951199 561988574 /nfs/dbraw/zinc/98/85/74/561988574.db2.gz KTEGLPHDWKEMPI-GWCFXTLKSA-N -1 1 368.231 2.389 20 0 FEADMM O=C(CC1CCOCC1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503327 556328092 /nfs/dbraw/zinc/32/80/92/556328092.db2.gz PVZDNFFLLPRHDU-AWEZNQCLSA-N -1 1 353.785 2.015 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CC1(Cl)Cl ZINC000368504078 556329028 /nfs/dbraw/zinc/32/90/28/556329028.db2.gz SWIXNDBYQMHROJ-MUWHJKNJSA-N -1 1 364.595 2.392 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C)c1nn[n-]n1 ZINC000368638053 556370624 /nfs/dbraw/zinc/37/06/24/556370624.db2.gz XIJSLXRHBWFLSN-LBPRGKRZSA-N -1 1 370.457 2.011 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1Cl ZINC000515694437 562019472 /nfs/dbraw/zinc/01/94/72/562019472.db2.gz VCJPRRYQACAVGF-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369092806 556503305 /nfs/dbraw/zinc/50/33/05/556503305.db2.gz QXNJAYGVQZDBSE-KOSWAMCASA-N -1 1 365.796 2.203 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3=C(CC)OCCC3)CC2)n1 ZINC000369318652 556573645 /nfs/dbraw/zinc/57/36/45/556573645.db2.gz GBAWFOJIIWJURU-UHFFFAOYSA-N -1 1 362.430 2.162 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)C3)cc1F ZINC000370272719 556826844 /nfs/dbraw/zinc/82/68/44/556826844.db2.gz LIMNMPDUWYPJOP-UHFFFAOYSA-N -1 1 364.398 2.497 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2C[C@@H](CO)c3ccccc32)c(=O)[n-]1 ZINC000370387802 556857328 /nfs/dbraw/zinc/85/73/28/556857328.db2.gz GTIYUWJGMXFDKG-LRDDRELGSA-N -1 1 373.478 2.482 20 0 FEADMM CCS(=O)(=O)CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000516806047 562058943 /nfs/dbraw/zinc/05/89/43/562058943.db2.gz JRANAKLXTMRQOU-UHFFFAOYSA-N -1 1 356.625 2.181 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1cn2ccccc2n1 ZINC000516836855 562059693 /nfs/dbraw/zinc/05/96/93/562059693.db2.gz IQWWSSQXMJBJBU-UHFFFAOYSA-N -1 1 374.404 2.059 20 0 FEADMM O=C(c1ccccc1Oc1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370858104 556993027 /nfs/dbraw/zinc/99/30/27/556993027.db2.gz QYRINXKRQJDLJO-MRXNPFEDSA-N -1 1 351.366 2.206 20 0 FEADMM Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370859624 556993472 /nfs/dbraw/zinc/99/34/72/556993472.db2.gz HMLWVFMMIKJCQC-GFCCVEGCSA-N -1 1 374.788 2.030 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000532879205 562491497 /nfs/dbraw/zinc/49/14/97/562491497.db2.gz DJDRZYOXCDKYOP-RXMQYKEDSA-N -1 1 352.235 2.242 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2o1 ZINC000517518829 562091638 /nfs/dbraw/zinc/09/16/38/562091638.db2.gz VPOROOOTWLBRMK-UHFFFAOYSA-N -1 1 359.363 2.268 20 0 FEADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000371629352 557245245 /nfs/dbraw/zinc/24/52/45/557245245.db2.gz YHDIYUJAMKOVCR-LBPRGKRZSA-N -1 1 359.813 2.153 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccco1 ZINC000518352077 562109413 /nfs/dbraw/zinc/10/94/13/562109413.db2.gz QJPGCGVPDOQEHJ-HNNXBMFYSA-N -1 1 370.409 2.436 20 0 FEADMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000518396803 562110670 /nfs/dbraw/zinc/11/06/70/562110670.db2.gz KZWKPOHMIAUTQF-UHFFFAOYSA-N -1 1 351.428 2.278 20 0 FEADMM Cc1cncc(-c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)c1 ZINC000371927419 557330789 /nfs/dbraw/zinc/33/07/89/557330789.db2.gz VINCVJBWLMYNTA-UHFFFAOYSA-N -1 1 360.377 2.485 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccnn1C)c1nc(-c2ccccc2)no1 ZINC000372078933 557374615 /nfs/dbraw/zinc/37/46/15/557374615.db2.gz UIAQRXCPGMAGAE-CQSZACIVSA-N -1 1 361.427 2.146 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@H](C2CC2)C1 ZINC000372490239 557484289 /nfs/dbraw/zinc/48/42/89/557484289.db2.gz JXBADYIHKMPTDU-KRWDZBQOSA-N -1 1 368.437 2.123 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2COc3ccccc32)o1 ZINC000372877374 557580812 /nfs/dbraw/zinc/58/08/12/557580812.db2.gz CQSMYVAORMEKLW-DGCLKSJQSA-N -1 1 365.407 2.299 20 0 FEADMM Cn1ccnc1-c1nnc([N-]C(=O)c2cc3nccnc3cc2F)s1 ZINC000373500326 557704976 /nfs/dbraw/zinc/70/49/76/557704976.db2.gz DFULVHWFBDRVSC-UHFFFAOYSA-N -1 1 355.358 2.273 20 0 FEADMM CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1 ZINC000374008005 557806444 /nfs/dbraw/zinc/80/64/44/557806444.db2.gz CAMQBDKTMQJICT-CQSZACIVSA-N -1 1 351.428 2.490 20 0 FEADMM CCCn1nccc1C1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000374383415 557875895 /nfs/dbraw/zinc/87/58/95/557875895.db2.gz FBXRPTCGYJUUMQ-UHFFFAOYSA-N -1 1 368.441 2.300 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)c1 ZINC000374405567 557879923 /nfs/dbraw/zinc/87/99/23/557879923.db2.gz XAIGFHQDLAEYBH-QGZVFWFLSA-N -1 1 368.389 2.091 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1)c1ccc2c(c1)OCCCO2 ZINC000521058891 562168801 /nfs/dbraw/zinc/16/88/01/562168801.db2.gz MOECCEGQBIZGLB-UHFFFAOYSA-N -1 1 372.406 2.434 20 0 FEADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000374436918 557883902 /nfs/dbraw/zinc/88/39/02/557883902.db2.gz ALJKNWJYDZKJOX-UHFFFAOYSA-N -1 1 372.874 2.076 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cccc(NC(N)=O)c3)cnc2n1 ZINC000521109206 562169749 /nfs/dbraw/zinc/16/97/49/562169749.db2.gz VRQVHQPANJTLBD-UHFFFAOYSA-N -1 1 351.366 2.064 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cccc(NC(N)=O)c1)c2=O ZINC000521109206 562169750 /nfs/dbraw/zinc/16/97/50/562169750.db2.gz VRQVHQPANJTLBD-UHFFFAOYSA-N -1 1 351.366 2.064 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(n3ccnn3)C2)c([O-])c1 ZINC000374777859 557929813 /nfs/dbraw/zinc/92/98/13/557929813.db2.gz HOPVSELDNMGMSH-UHFFFAOYSA-N -1 1 359.386 2.028 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375038590 557968151 /nfs/dbraw/zinc/96/81/51/557968151.db2.gz LULWTNUAPYMTGA-QGZVFWFLSA-N -1 1 363.414 2.085 20 0 FEADMM CC(C)Oc1ccc(=NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)[n-]n1 ZINC000375499984 558038408 /nfs/dbraw/zinc/03/84/08/558038408.db2.gz ZHFFSTCFJHVEPG-CYBMUJFWSA-N -1 1 371.445 2.671 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000375608454 558056332 /nfs/dbraw/zinc/05/63/32/558056332.db2.gz YFKMGKDYXJXWSL-SNVBAGLBSA-N -1 1 361.379 2.386 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)N[C@H](CO)CO2 ZINC000375895565 558095477 /nfs/dbraw/zinc/09/54/77/558095477.db2.gz NZGXIICQLXYSEK-GFCCVEGCSA-N -1 1 372.425 2.206 20 0 FEADMM O=C(c1ncccc1[O-])N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000376029734 558116332 /nfs/dbraw/zinc/11/63/32/558116332.db2.gz QBENAMSQNMUSDK-UHFFFAOYSA-N -1 1 350.378 2.414 20 0 FEADMM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376060969 558121245 /nfs/dbraw/zinc/12/12/45/558121245.db2.gz CEAOYCUAMRGMHA-UGSOOPFHSA-N -1 1 360.454 2.364 20 0 FEADMM COc1cc(C)cc2c1OCC[C@H]2NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000376597429 558195537 /nfs/dbraw/zinc/19/55/37/558195537.db2.gz JSLRFZBMBKHXRR-YZLQOSHFSA-N -1 1 367.409 2.304 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2NC(C)=O)o1 ZINC000521848678 562184661 /nfs/dbraw/zinc/18/46/61/562184661.db2.gz CDZYPCHVICOWGR-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)CC(C)C)CC2)n1 ZINC000377058018 558257042 /nfs/dbraw/zinc/25/70/42/558257042.db2.gz UNBIKHVGTVGGKN-LBPRGKRZSA-N -1 1 351.451 2.305 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@H]3CC[C@H](c4ccccc4)O3)ccnc1-2 ZINC000377489371 558350309 /nfs/dbraw/zinc/35/03/09/558350309.db2.gz JMGGVMUKUXQQNV-DJIHTNRUSA-N -1 1 351.410 2.384 20 0 FEADMM CCC[C@@H](NC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ccccc1 ZINC000377530170 558358449 /nfs/dbraw/zinc/35/84/49/558358449.db2.gz MVQHUYJNFDLTKB-MRXNPFEDSA-N -1 1 357.458 2.347 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3nncn3C)ccn2)cc1C ZINC000377560737 558364581 /nfs/dbraw/zinc/36/45/81/558364581.db2.gz FQIYMKXSXBSCEH-UHFFFAOYSA-N -1 1 357.439 2.436 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cnccn1 ZINC000522558316 562199819 /nfs/dbraw/zinc/19/98/19/562199819.db2.gz HKXHXRVFUQZFJO-UHFFFAOYSA-N -1 1 368.418 2.207 20 0 FEADMM C[C@@H](CCCO)CNC(=O)c1cc(I)ccc1[O-] ZINC000394945003 558622201 /nfs/dbraw/zinc/62/22/01/558622201.db2.gz FBFXKPGRTRVISP-VIFPVBQESA-N -1 1 363.195 2.135 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000378522680 558574547 /nfs/dbraw/zinc/57/45/47/558574547.db2.gz PXRJNTHPTRVPJV-LLVKDONJSA-N -1 1 352.437 2.160 20 0 FEADMM COC(=O)[C@H]1CCCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000378568991 558585689 /nfs/dbraw/zinc/58/56/89/558585689.db2.gz KNAVDBBKBOCHJL-CYBMUJFWSA-N -1 1 367.471 2.089 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1)c2=O ZINC000378571681 558586126 /nfs/dbraw/zinc/58/61/26/558586126.db2.gz QVGDANKHNQQVQI-XJKSGUPXSA-N -1 1 352.394 2.182 20 0 FEADMM FC(F)c1n[n-]c(=NCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000390855586 558612533 /nfs/dbraw/zinc/61/25/33/558612533.db2.gz BZZRSCFKYGEIHW-UHFFFAOYSA-N -1 1 353.442 2.705 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(I)c([O-])c1)C(C)C ZINC000394549942 558622255 /nfs/dbraw/zinc/62/22/55/558622255.db2.gz GKFGJARXPSDURQ-LBPRGKRZSA-N -1 1 363.195 2.398 20 0 FEADMM CC[C@H](O)CCCNC(=O)c1cc(I)ccc1[O-] ZINC000398551923 558626528 /nfs/dbraw/zinc/62/65/28/558626528.db2.gz OETJSABVLOJAAW-JTQLQIEISA-N -1 1 363.195 2.278 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc(Cl)c1[O-] ZINC000408066144 558642745 /nfs/dbraw/zinc/64/27/45/558642745.db2.gz VFPNTVRNKYHNDN-RVZJWNSFSA-N -1 1 369.845 2.446 20 0 FEADMM C[C@H]1C[C@@H](CC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CC(C)(C)C1 ZINC000408260250 558661887 /nfs/dbraw/zinc/66/18/87/558661887.db2.gz DSRBFHCNYYPFTO-STQMWFEESA-N -1 1 351.520 2.621 20 0 FEADMM CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@@H]2C1 ZINC000408460296 558679692 /nfs/dbraw/zinc/67/96/92/558679692.db2.gz NDGDBZRFCYXLPK-ZYHUDNBSSA-N -1 1 364.389 2.126 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000410282851 558749943 /nfs/dbraw/zinc/74/99/43/558749943.db2.gz POYXEEFWLBMJBB-LBPRGKRZSA-N -1 1 358.442 2.781 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000410298055 558750114 /nfs/dbraw/zinc/75/01/14/558750114.db2.gz DEZZWEXEEXNLSN-JTQLQIEISA-N -1 1 365.437 2.936 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410302259 558750659 /nfs/dbraw/zinc/75/06/59/558750659.db2.gz LXLWJWGRIBMHTR-MRVPVSSYSA-N -1 1 371.224 2.791 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1csc(-c2ccccc2F)n1 ZINC000410306194 558750703 /nfs/dbraw/zinc/75/07/03/558750703.db2.gz JIXVFDFWEQLYKC-UHFFFAOYSA-N -1 1 359.386 2.593 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410352407 558752590 /nfs/dbraw/zinc/75/25/90/558752590.db2.gz HUUYXNINXRKJHR-UHFFFAOYSA-N -1 1 368.798 2.026 20 0 FEADMM COc1cc(NC(=O)N(C)C[C@H]2CCCCO2)ccc1[N-]S(C)(=O)=O ZINC000524895929 562237261 /nfs/dbraw/zinc/23/72/61/562237261.db2.gz YRMDEBUXFFHFPF-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM COc1cc(NC(=O)NCCOCCC(C)C)ccc1[N-]S(C)(=O)=O ZINC000525412008 562247761 /nfs/dbraw/zinc/24/77/61/562247761.db2.gz FFIMTSVEHDKFQT-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000525414621 562247823 /nfs/dbraw/zinc/24/78/23/562247823.db2.gz YIHBUOFOGVSAPS-UHFFFAOYSA-N -1 1 364.427 2.126 20 0 FEADMM Cc1cccc2nc(CCC(=O)N3CCC[C@H](c4n[nH]c(=O)[n-]4)C3)[nH]c21 ZINC000412324917 559027980 /nfs/dbraw/zinc/02/79/80/559027980.db2.gz RIFZWYFLBBAYHA-LBPRGKRZSA-N -1 1 354.414 2.034 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)c2)cc1 ZINC000526028806 562264363 /nfs/dbraw/zinc/26/43/63/562264363.db2.gz QGGISGRLALMEQZ-PIIMJCKOSA-N -1 1 372.446 2.170 20 0 FEADMM CC[C@](CNC(=O)C(=O)c1ccc([O-])cc1)(C(=O)OC)c1ccccc1 ZINC000412969416 559068162 /nfs/dbraw/zinc/06/81/62/559068162.db2.gz JMNOFEPPODWZJI-HXUWFJFHSA-N -1 1 355.390 2.212 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2ccccc2OC(F)(F)F)[n-]n1 ZINC000413177482 559085678 /nfs/dbraw/zinc/08/56/78/559085678.db2.gz ASQVNWRMSHJOPS-UHFFFAOYSA-N -1 1 354.332 2.780 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(F)ccc2-n2cccn2)CC1 ZINC000414376732 559159399 /nfs/dbraw/zinc/15/93/99/559159399.db2.gz VNOOXXQCDPLUHP-UHFFFAOYSA-N -1 1 367.402 2.239 20 0 FEADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000414385397 559160492 /nfs/dbraw/zinc/16/04/92/559160492.db2.gz RBQJOGXFHYWTJC-UHFFFAOYSA-N -1 1 356.835 2.395 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2n1CCCC2)c1c(F)cccc1Cl ZINC000414463253 559165691 /nfs/dbraw/zinc/16/56/91/559165691.db2.gz NMEGIUSRPZVCPG-UHFFFAOYSA-N -1 1 372.853 2.318 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)ccc1F ZINC000527066534 562275328 /nfs/dbraw/zinc/27/53/28/562275328.db2.gz DKNHWDDLSKWJRA-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000527196094 562279787 /nfs/dbraw/zinc/27/97/87/562279787.db2.gz UMRUYZHYSUIDRW-LBPRGKRZSA-N -1 1 371.817 2.239 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)[n-]1 ZINC000415650701 559258185 /nfs/dbraw/zinc/25/81/85/559258185.db2.gz SNOXJGRIFQANDR-RUXDESIVSA-N -1 1 365.430 2.279 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC000415650701 559258187 /nfs/dbraw/zinc/25/81/87/559258187.db2.gz SNOXJGRIFQANDR-RUXDESIVSA-N -1 1 365.430 2.279 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cn1 ZINC000527246986 562282155 /nfs/dbraw/zinc/28/21/55/562282155.db2.gz LHMLKCAYZDHIKO-UHFFFAOYSA-N -1 1 364.807 2.078 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000416149985 559294586 /nfs/dbraw/zinc/29/45/86/559294586.db2.gz YUNTVUOZRDQFRJ-SCZZXKLOSA-N -1 1 369.299 2.201 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000416165684 559295744 /nfs/dbraw/zinc/29/57/44/559295744.db2.gz HJRFWTMSZFKISH-PRHODGIISA-N -1 1 367.789 2.056 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000416239066 559300387 /nfs/dbraw/zinc/30/03/87/559300387.db2.gz GXEWXHQJGMAVCU-MGPQQGTHSA-N -1 1 355.394 2.305 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000416609530 559325077 /nfs/dbraw/zinc/32/50/77/559325077.db2.gz VFFUUECWZVXABX-MRVPVSSYSA-N -1 1 357.325 2.479 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@H]1CCCOC1)c1ccc(Cl)c(F)c1Cl ZINC000416618946 559325540 /nfs/dbraw/zinc/32/55/40/559325540.db2.gz WZIUUCWEMXINRR-WCBMZHEXSA-N -1 1 372.245 2.198 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)=O)c2ccccc2F)o1 ZINC000416652386 559327753 /nfs/dbraw/zinc/32/77/53/559327753.db2.gz SRQLKWPWAYKQPP-HNNXBMFYSA-N -1 1 369.370 2.204 20 0 FEADMM Cc1cnn(C[C@H](NCc2cccc(F)c2Br)C(=O)[O-])c1 ZINC000417582622 559367761 /nfs/dbraw/zinc/36/77/61/559367761.db2.gz VJUUOBXXINLSLE-LBPRGKRZSA-N -1 1 356.195 2.336 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](CC)OC)c1cccc(C)c1C ZINC000420687979 559498077 /nfs/dbraw/zinc/49/80/77/559498077.db2.gz KMNFIELQGJYEMQ-HOCLYGCPSA-N -1 1 357.472 2.252 20 0 FEADMM Cn1[n-]c(CN2CCC[C@@H]2Cc2ccccc2Br)nc1=O ZINC000420958957 559514320 /nfs/dbraw/zinc/51/43/20/559514320.db2.gz DZGFTMAWZLAXTG-GFCCVEGCSA-N -1 1 351.248 2.078 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]c1ccc(OCCO)cc1C(F)(F)F)OC ZINC000421153097 559527012 /nfs/dbraw/zinc/52/70/12/559527012.db2.gz LAIPUKFXNIVDDV-SNVBAGLBSA-N -1 1 371.377 2.243 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1n[nH]c(SC(C)C)n1 ZINC000421224914 559532047 /nfs/dbraw/zinc/53/20/47/559532047.db2.gz IZYRDQPVOYBFSW-ZDUSSCGKSA-N -1 1 370.500 2.305 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@]34C[C@@H]3CCC4)c2)n1 ZINC000421562230 559545408 /nfs/dbraw/zinc/54/54/08/559545408.db2.gz QQWOETTWMATRHL-LIRRHRJNSA-N -1 1 354.410 2.455 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422585475 559596358 /nfs/dbraw/zinc/59/63/58/559596358.db2.gz CXZNBSBPSVSEOF-CABCVRRESA-N -1 1 350.484 2.246 20 0 FEADMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000424265470 559660116 /nfs/dbraw/zinc/66/01/16/559660116.db2.gz VPGITHZCYZFAPX-INIZCTEOSA-N -1 1 373.453 2.471 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])n[nH]2)cc1OC ZINC000424267558 559660328 /nfs/dbraw/zinc/66/03/28/559660328.db2.gz VHIFHJNLWRFXMR-GTNSWQLSSA-N -1 1 373.409 2.419 20 0 FEADMM CCC[C@H]1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CCN1CCOC ZINC000424421498 559663789 /nfs/dbraw/zinc/66/37/89/559663789.db2.gz DGUILRJLMDLVML-HNNXBMFYSA-N -1 1 357.495 2.020 20 0 FEADMM CC(C)C[C@H](CNC(=O)NCc1ccc(CN(C)C)c(F)c1)C(=O)[O-] ZINC000424458088 559665885 /nfs/dbraw/zinc/66/58/85/559665885.db2.gz ZRHVRFNKYZQJFW-OAHLLOKOSA-N -1 1 353.438 2.433 20 0 FEADMM C[C@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000425035885 559684534 /nfs/dbraw/zinc/68/45/34/559684534.db2.gz IDDGXSGWSCJEAY-FZMZJTMJSA-N -1 1 374.441 2.256 20 0 FEADMM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425238556 559692805 /nfs/dbraw/zinc/69/28/05/559692805.db2.gz VBBHOURZGGODIE-UHFFFAOYSA-N -1 1 374.365 2.261 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@H](CS(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425267021 559694212 /nfs/dbraw/zinc/69/42/12/559694212.db2.gz KJJKKDUPBYUEFD-CVEARBPZSA-N -1 1 374.510 2.911 20 0 FEADMM O=C(COc1ccc(Cl)c(F)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293914 559694907 /nfs/dbraw/zinc/69/49/07/559694907.db2.gz CPFSJDLQPOUKBC-SECBINFHSA-N -1 1 355.753 2.353 20 0 FEADMM C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425315326 559696286 /nfs/dbraw/zinc/69/62/86/559696286.db2.gz BAXBZPVDEBFGOQ-GFCCVEGCSA-N -1 1 367.409 2.303 20 0 FEADMM O=C(c1ccn(CCc2ccccc2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317496 559696444 /nfs/dbraw/zinc/69/64/44/559696444.db2.gz FWTYSAMZMJIIOR-UHFFFAOYSA-N -1 1 367.409 2.234 20 0 FEADMM Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425327104 559697039 /nfs/dbraw/zinc/69/70/39/559697039.db2.gz VITZIFXSQIQKDA-UHFFFAOYSA-N -1 1 371.372 2.428 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000426723990 559740934 /nfs/dbraw/zinc/74/09/34/559740934.db2.gz OWORVPPJCNHWEW-ACJLOTCBSA-N -1 1 359.451 2.109 20 0 FEADMM O=C([O-])[C@@H](Cc1ccco1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426807371 559742349 /nfs/dbraw/zinc/74/23/49/559742349.db2.gz NKLASKKBDGESMA-CQSZACIVSA-N -1 1 364.764 2.438 20 0 FEADMM COc1ccccc1[C@@H](NC(=O)c1ncc(C)cc1[O-])c1noc(C)n1 ZINC000426851502 559742976 /nfs/dbraw/zinc/74/29/76/559742976.db2.gz QPPUYHBAUSMNDV-OAHLLOKOSA-N -1 1 354.366 2.315 20 0 FEADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1csc(NC2CC2)n1 ZINC000427009922 559745704 /nfs/dbraw/zinc/74/57/04/559745704.db2.gz UEKBXXVZAIWNFU-UHFFFAOYSA-N -1 1 361.377 2.482 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccccc1OC(F)(F)F)c1ncccc1[O-] ZINC000427154375 559749389 /nfs/dbraw/zinc/74/93/89/559749389.db2.gz WRQFGFYMUICVEQ-NSHDSACASA-N -1 1 370.327 2.267 20 0 FEADMM Cc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)c(=O)n1C ZINC000427598120 559758611 /nfs/dbraw/zinc/75/86/11/559758611.db2.gz AZDAYAFEGCQYNP-UHFFFAOYSA-N -1 1 351.200 2.092 20 0 FEADMM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)[nH]c2c1 ZINC000427633564 559759266 /nfs/dbraw/zinc/75/92/66/559759266.db2.gz KMWWGVKOYGPZNJ-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000431639883 559843142 /nfs/dbraw/zinc/84/31/42/559843142.db2.gz ZNJPJJXNIBVRJV-SNVBAGLBSA-N -1 1 350.843 2.310 20 0 FEADMM CC(C)C1CCC(CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CC1 ZINC000432154068 559852990 /nfs/dbraw/zinc/85/29/90/559852990.db2.gz OFPSSXQFGFYEEP-UHFFFAOYSA-N -1 1 366.535 2.414 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCC(=O)N4)ccc2[nH]1 ZINC000432193795 559853806 /nfs/dbraw/zinc/85/38/06/559853806.db2.gz WUTIVAYKZJLBMY-UHFFFAOYSA-N -1 1 369.402 2.214 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCC(=O)OC)cc2)[n-]c1=O ZINC000432701626 559863238 /nfs/dbraw/zinc/86/32/38/559863238.db2.gz APLPYNUSRGXYET-XFXZXTDPSA-N -1 1 372.377 2.471 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1F ZINC000432775779 559864382 /nfs/dbraw/zinc/86/43/82/559864382.db2.gz WWYMKYKNYOJKHD-UHFFFAOYSA-N -1 1 352.387 2.479 20 0 FEADMM CO[C@H](C)CCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000433795629 559887995 /nfs/dbraw/zinc/88/79/95/559887995.db2.gz ZCNCEJJLUCLBGH-LLVKDONJSA-N -1 1 371.409 2.998 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2nnc([C@H]3CCCO3)o2)n1 ZINC000436116269 559935553 /nfs/dbraw/zinc/93/55/53/559935553.db2.gz SQQVQNUHUWSKBA-SNVBAGLBSA-N -1 1 365.415 2.100 20 0 FEADMM CC(C)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)NC[C@H]1CCCO1 ZINC000436247420 559938268 /nfs/dbraw/zinc/93/82/68/559938268.db2.gz UEIFQIWMPXXDAR-DOMZBBRYSA-N -1 1 351.472 2.472 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)nn3c2nc(C)cc3C)c1 ZINC000436504539 559943472 /nfs/dbraw/zinc/94/34/72/559943472.db2.gz LBASLCGCCRJRCD-UHFFFAOYSA-N -1 1 354.366 2.399 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)c(OC)c2OC)c1 ZINC000436516589 559944105 /nfs/dbraw/zinc/94/41/05/559944105.db2.gz WSXXXGSASOXKAX-UHFFFAOYSA-N -1 1 361.350 2.457 20 0 FEADMM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cc(F)ccc1[O-] ZINC000436548881 559945130 /nfs/dbraw/zinc/94/51/30/559945130.db2.gz NUXOOVMUFUBYSY-KRWDZBQOSA-N -1 1 358.413 2.205 20 0 FEADMM COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436594406 559946265 /nfs/dbraw/zinc/94/62/65/559946265.db2.gz FBUDTJXFQKCQBR-WMLDXEAASA-N -1 1 371.389 2.112 20 0 FEADMM CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)c1cc(Cl)ccc1[O-] ZINC000436606745 559946326 /nfs/dbraw/zinc/94/63/26/559946326.db2.gz MTTRDVNPBWCGBF-CHWSQXEVSA-N -1 1 369.801 2.145 20 0 FEADMM COCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436615546 559946620 /nfs/dbraw/zinc/94/66/20/559946620.db2.gz FNFNQPAZYJRHOJ-KRWDZBQOSA-N -1 1 356.422 2.255 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N(CCC(F)(F)F)C[C@H](O)CO ZINC000436611527 559946635 /nfs/dbraw/zinc/94/66/35/559946635.db2.gz OQXBBUMQGXKHLR-LBPRGKRZSA-N -1 1 357.328 2.293 20 0 FEADMM CCC(CC)c1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])on1 ZINC000436620233 559946862 /nfs/dbraw/zinc/94/68/62/559946862.db2.gz USYSBILHWNWIMK-UHFFFAOYSA-N -1 1 367.427 2.444 20 0 FEADMM O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000436674889 559948565 /nfs/dbraw/zinc/94/85/65/559948565.db2.gz JTUYHDBHFXHSOU-HNNXBMFYSA-N -1 1 356.397 2.495 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3c(=O)n2C)c1 ZINC000436680540 559948796 /nfs/dbraw/zinc/94/87/96/559948796.db2.gz KIAPMYOAWZAPGA-UHFFFAOYSA-N -1 1 352.346 2.283 20 0 FEADMM CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000436737351 559950518 /nfs/dbraw/zinc/95/05/18/559950518.db2.gz QDNABADNYDRQSP-CJNGLKHVSA-N -1 1 362.817 2.012 20 0 FEADMM CSCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1nnc2ccccn21 ZINC000436768553 559951452 /nfs/dbraw/zinc/95/14/52/559951452.db2.gz XAXDDFUJJWLHGA-CQSZACIVSA-N -1 1 370.434 2.228 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c([O-])c1 ZINC000436828359 559953319 /nfs/dbraw/zinc/95/33/19/559953319.db2.gz YBNHETLTSGCPAY-UHFFFAOYSA-N -1 1 368.386 2.043 20 0 FEADMM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436847296 559954032 /nfs/dbraw/zinc/95/40/32/559954032.db2.gz PVDXUOGRICVIGA-UHFFFAOYSA-N -1 1 373.333 2.486 20 0 FEADMM CC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000436915365 559956291 /nfs/dbraw/zinc/95/62/91/559956291.db2.gz OEMRNRTVPCIQLY-NSHDSACASA-N -1 1 363.805 2.028 20 0 FEADMM CC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000436915365 559956292 /nfs/dbraw/zinc/95/62/92/559956292.db2.gz OEMRNRTVPCIQLY-NSHDSACASA-N -1 1 363.805 2.028 20 0 FEADMM COc1ccccc1CCNC(=O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000437720382 559968610 /nfs/dbraw/zinc/96/86/10/559968610.db2.gz RNWCWCFOKSSBNA-UHFFFAOYSA-N -1 1 362.813 2.143 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1N ZINC000439248882 559990819 /nfs/dbraw/zinc/99/08/19/559990819.db2.gz IUZRBFQSDBBMHC-UHFFFAOYSA-N -1 1 364.423 2.482 20 0 FEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)nc3)cc21 ZINC000439889214 560001383 /nfs/dbraw/zinc/00/13/83/560001383.db2.gz UFEYQLJXBHSPDD-UHFFFAOYSA-N -1 1 358.467 2.475 20 0 FEADMM C/C=C\C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)C(=O)OCC ZINC000440094442 560004632 /nfs/dbraw/zinc/00/46/32/560004632.db2.gz VNDYQTVIXBNPFI-DXTPNHAXSA-N -1 1 352.412 2.145 20 0 FEADMM COc1cc(NC(=O)N[C@H]2C[C@H](OC)C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000440364892 560009426 /nfs/dbraw/zinc/00/94/26/560009426.db2.gz GKRSUEDUGPYZOO-KBPBESRZSA-N -1 1 371.459 2.002 20 0 FEADMM COc1cc(NC(=O)N[C@H]2C[C@@H](OC)C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000440364894 560009511 /nfs/dbraw/zinc/00/95/11/560009511.db2.gz GKRSUEDUGPYZOO-UONOGXRCSA-N -1 1 371.459 2.002 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc(Cl)c1[O-] ZINC000442964443 560064153 /nfs/dbraw/zinc/06/41/53/560064153.db2.gz HZXAJWULWLGRIN-GFCCVEGCSA-N -1 1 367.810 2.313 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000443011885 560065935 /nfs/dbraw/zinc/06/59/35/560065935.db2.gz HXIOEAKTJPYZDG-ZDUSSCGKSA-N -1 1 369.830 2.206 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)o1 ZINC000443221443 560075125 /nfs/dbraw/zinc/07/51/25/560075125.db2.gz YCBUSAUHIOZSTG-GFCCVEGCSA-N -1 1 351.380 2.128 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cnc[nH]2)cc1 ZINC000443536866 560086598 /nfs/dbraw/zinc/08/65/98/560086598.db2.gz FWELVTJPXSTAIC-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cn1ccc2c([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cccc2c1=O ZINC000443530481 560086629 /nfs/dbraw/zinc/08/66/29/560086629.db2.gz NNCAHPUFSVIDBQ-UHFFFAOYSA-N -1 1 371.374 2.186 20 0 FEADMM Cc1ccc2c(CCNC(=O)c3c[n-]c4c(cnn4C)c3=O)cn(C)c2c1 ZINC000444518385 560115046 /nfs/dbraw/zinc/11/50/46/560115046.db2.gz JCWMAPOMEVBMDS-UHFFFAOYSA-N -1 1 363.421 2.447 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3cccc(CC)c3)CC2)n1 ZINC000444761129 560120080 /nfs/dbraw/zinc/12/00/80/560120080.db2.gz MXCJALDYLGEBIK-UHFFFAOYSA-N -1 1 370.453 2.493 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3c(C)nc(C)[nH]c3=O)[nH][n-]2)c1 ZINC000444782801 560120651 /nfs/dbraw/zinc/12/06/51/560120651.db2.gz JLIIBHOTDCBIHM-UHFFFAOYSA-N -1 1 355.373 2.818 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)COc3ccc(C(N)=O)cc3)[nH][n-]2)c1 ZINC000444811991 560121566 /nfs/dbraw/zinc/12/15/66/560121566.db2.gz JXADLXQNLKIBIX-UHFFFAOYSA-N -1 1 368.368 2.641 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc4c(cn3)nc[nH]c4=O)[nH][n-]2)c1 ZINC000444811805 560121614 /nfs/dbraw/zinc/12/16/14/560121614.db2.gz JCHKXUIRIBORSA-UHFFFAOYSA-N -1 1 364.340 2.820 20 0 FEADMM COc1ccc(NC(=O)c2ccc(C(C)=O)o2)cc1[N-]S(C)(=O)=O ZINC000445252897 560131492 /nfs/dbraw/zinc/13/14/92/560131492.db2.gz LXRQSJZSCBMSOB-UHFFFAOYSA-N -1 1 352.368 2.115 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)[nH]n2)o1 ZINC000446634183 560148856 /nfs/dbraw/zinc/14/88/56/560148856.db2.gz CEIKRDLUKKFHQN-UHFFFAOYSA-N -1 1 374.422 2.481 20 0 FEADMM COc1cccc([N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1 ZINC000447002261 560155044 /nfs/dbraw/zinc/15/50/44/560155044.db2.gz ZTHWXFRDCZOSGM-UHFFFAOYSA-N -1 1 374.422 2.204 20 0 FEADMM Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000447268915 560159171 /nfs/dbraw/zinc/15/91/71/560159171.db2.gz YDCDYYJNZZINPN-UHFFFAOYSA-N -1 1 372.402 2.111 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)=O)c1)c1ccccc1 ZINC000447756106 560168613 /nfs/dbraw/zinc/16/86/13/560168613.db2.gz VOIDJRHXQSTSIJ-QGZVFWFLSA-N -1 1 361.419 2.472 20 0 FEADMM COc1cccc([C@@H](C)CCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000448114877 560178411 /nfs/dbraw/zinc/17/84/11/560178411.db2.gz YRHXDGNPKQGMGG-NSHDSACASA-N -1 1 366.443 2.129 20 0 FEADMM COc1cccc([C@@H](C)CCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000448114877 560178412 /nfs/dbraw/zinc/17/84/12/560178412.db2.gz YRHXDGNPKQGMGG-NSHDSACASA-N -1 1 366.443 2.129 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)CCO ZINC000448273485 560182605 /nfs/dbraw/zinc/18/26/05/560182605.db2.gz YZUUWWXPHRBNLE-UHFFFAOYSA-N -1 1 358.442 2.010 20 0 FEADMM COc1ccc(NC(=O)CCCC(=O)C2CC2)cc1[N-]S(C)(=O)=O ZINC000448661091 560193193 /nfs/dbraw/zinc/19/31/93/560193193.db2.gz NWHONGLJAVDLHV-UHFFFAOYSA-N -1 1 354.428 2.155 20 0 FEADMM O=C(Cc1ccc(OC(F)F)c(F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000449929887 560245497 /nfs/dbraw/zinc/24/54/97/560245497.db2.gz UMDGXBCZVQICAJ-UHFFFAOYSA-N -1 1 355.320 2.068 20 0 FEADMM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000450696340 560270436 /nfs/dbraw/zinc/27/04/36/560270436.db2.gz LBDUQIGISLNJAW-WPRPVWTQSA-N -1 1 363.805 2.061 20 0 FEADMM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000450696340 560270437 /nfs/dbraw/zinc/27/04/37/560270437.db2.gz LBDUQIGISLNJAW-WPRPVWTQSA-N -1 1 363.805 2.061 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC2)c(F)c1 ZINC000450962224 560280294 /nfs/dbraw/zinc/28/02/94/560280294.db2.gz WFRUMAJKSYVOID-UHFFFAOYSA-N -1 1 364.464 2.152 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)ccc2OCCCOC)n1 ZINC000451024569 560283215 /nfs/dbraw/zinc/28/32/15/560283215.db2.gz IJSJJYLZMLDCIQ-UHFFFAOYSA-N -1 1 374.850 2.237 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(F)F ZINC000451083509 560286115 /nfs/dbraw/zinc/28/61/15/560286115.db2.gz OFSRZHFGAGMQAZ-SECBINFHSA-N -1 1 370.805 2.030 20 0 FEADMM CC(C)c1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000451114655 560287823 /nfs/dbraw/zinc/28/78/23/560287823.db2.gz LYQLQCBZLNNSEM-LLVKDONJSA-N -1 1 350.444 2.177 20 0 FEADMM C[C@H]1[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCCN1C ZINC000451395194 560304220 /nfs/dbraw/zinc/30/42/20/560304220.db2.gz PWBUAKJLBCUNSQ-ONGXEEELSA-N -1 1 352.378 2.172 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1ccsc1 ZINC000451401362 560304533 /nfs/dbraw/zinc/30/45/33/560304533.db2.gz FOCDHKKFHNPMTO-OAHLLOKOSA-N -1 1 369.464 2.098 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2CC)c(F)c1 ZINC000451486196 560309891 /nfs/dbraw/zinc/30/98/91/560309891.db2.gz CQDGNGMRKGVKFC-ZWNOBZJWSA-N -1 1 364.464 2.054 20 0 FEADMM CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451571020 560315473 /nfs/dbraw/zinc/31/54/73/560315473.db2.gz WFPGXUPBABGDIT-JTQLQIEISA-N -1 1 354.394 2.418 20 0 FEADMM CN(C)C(=O)C1([N-]S(=O)(=O)c2sccc2Cl)CCCCC1 ZINC000451780384 560328163 /nfs/dbraw/zinc/32/81/63/560328163.db2.gz GOLPVDGGIVZYIZ-UHFFFAOYSA-N -1 1 350.893 2.471 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)o1 ZINC000451813601 560330312 /nfs/dbraw/zinc/33/03/12/560330312.db2.gz FDJXRTGIOXDJHR-TZMCWYRMSA-N -1 1 359.444 2.186 20 0 FEADMM C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCC1 ZINC000452033147 560346744 /nfs/dbraw/zinc/34/67/44/560346744.db2.gz YMOSGORSTYXNSS-SNVBAGLBSA-N -1 1 364.464 2.054 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](CC(C)(C)C(N)=O)C3)cnc2n1 ZINC000452442072 560364898 /nfs/dbraw/zinc/36/48/98/560364898.db2.gz JNUPTQLGQSFQAL-ZDUSSCGKSA-N -1 1 370.453 2.398 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1)c2=O ZINC000452442072 560364899 /nfs/dbraw/zinc/36/48/99/560364899.db2.gz JNUPTQLGQSFQAL-ZDUSSCGKSA-N -1 1 370.453 2.398 20 0 FEADMM CSc1ccc([C@@H](CNC(=O)N=c2[n-]nc3ccccn32)N(C)C)cc1 ZINC000454740345 560456225 /nfs/dbraw/zinc/45/62/25/560456225.db2.gz FYICRDIDSRZZIR-OAHLLOKOSA-N -1 1 370.482 2.876 20 0 FEADMM COc1ccc(NC(=O)NCc2cnccc2C)cc1[N-]S(C)(=O)=O ZINC000454887875 560462338 /nfs/dbraw/zinc/46/23/38/560462338.db2.gz FYHTYIHXMUPFBC-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM CCc1ccc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)c([O-])c1 ZINC000456248648 560513180 /nfs/dbraw/zinc/51/31/80/560513180.db2.gz VQOGSKGORSDNQP-UHFFFAOYSA-N -1 1 354.406 2.412 20 0 FEADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([O-])c(F)c1F)C2=O ZINC000456795174 560533014 /nfs/dbraw/zinc/53/30/14/560533014.db2.gz UENBNKVKNNIWLD-HUTHGQBESA-N -1 1 367.352 2.110 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000456893504 560536074 /nfs/dbraw/zinc/53/60/74/560536074.db2.gz DRHPITXEUKEPRI-GFCCVEGCSA-N -1 1 369.849 2.320 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3cc[nH]c3n2)o1 ZINC000456947334 560539926 /nfs/dbraw/zinc/53/99/26/560539926.db2.gz FECFMANOOVRFHV-UHFFFAOYSA-N -1 1 362.411 2.485 20 0 FEADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000456952650 560540127 /nfs/dbraw/zinc/54/01/27/560540127.db2.gz ZVHUBAKKLRZSLO-VXGBXAGGSA-N -1 1 358.460 2.044 20 0 FEADMM COC[C@@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000457044626 560545404 /nfs/dbraw/zinc/54/54/04/560545404.db2.gz RBJMTQGDABGBKI-OAHLLOKOSA-N -1 1 360.458 2.259 20 0 FEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000457868388 560591392 /nfs/dbraw/zinc/59/13/92/560591392.db2.gz CSAKDAGWDSHXMZ-AOOOYVTPSA-N -1 1 361.179 2.294 20 0 FEADMM CCOc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc(Br)c1O ZINC000459344886 560681282 /nfs/dbraw/zinc/68/12/82/560681282.db2.gz NJRLZYBTNPSPPQ-LBPRGKRZSA-N -1 1 357.248 2.216 20 0 FEADMM COc1cc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)cc(Cl)c1[O-] ZINC000460185978 560737471 /nfs/dbraw/zinc/73/74/71/560737471.db2.gz VNOPWCUMSWQLNX-GFCCVEGCSA-N -1 1 372.874 2.342 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000460421909 560743544 /nfs/dbraw/zinc/74/35/44/560743544.db2.gz SAHDAUSGPDNTAI-UHFFFAOYSA-N -1 1 367.793 2.470 20 0 FEADMM O=C(N=c1nc[nH][n-]1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460729384 560750227 /nfs/dbraw/zinc/75/02/27/560750227.db2.gz MUDDWVVCCBMWNH-UHFFFAOYSA-N -1 1 351.153 2.946 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3nccc(C)c3c2)c1 ZINC000461452812 560771878 /nfs/dbraw/zinc/77/18/78/560771878.db2.gz KQPTZAUSWBQZQT-UHFFFAOYSA-N -1 1 371.418 2.409 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000461454661 560772235 /nfs/dbraw/zinc/77/22/35/560772235.db2.gz VPENKUGNYNJTME-KGLIPLIRSA-N -1 1 364.398 2.182 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)c3ccccc3n2)c1 ZINC000461458259 560772306 /nfs/dbraw/zinc/77/23/06/560772306.db2.gz WSTCZLNWMFRWIV-UHFFFAOYSA-N -1 1 371.418 2.409 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(C(F)F)c2)c1 ZINC000461462070 560772462 /nfs/dbraw/zinc/77/24/62/560772462.db2.gz XERDQMYHGFAOPE-UHFFFAOYSA-N -1 1 370.377 2.419 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cncc3ccccc32)c1 ZINC000461461232 560772516 /nfs/dbraw/zinc/77/25/16/560772516.db2.gz RYZDVSMQFPYKBD-UHFFFAOYSA-N -1 1 357.391 2.101 20 0 FEADMM O=C(NC[C@@H](CO)C1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461624833 560777659 /nfs/dbraw/zinc/77/76/59/560777659.db2.gz FHPPRKLMXHYKCZ-INIZCTEOSA-N -1 1 374.462 2.236 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)CC23CCC(CC2)C3)(C(=O)OC)C1(C)C ZINC000462083234 560796051 /nfs/dbraw/zinc/79/60/51/560796051.db2.gz ZWGUSYGZHVRIGI-ONKUYLGYSA-N -1 1 373.515 2.233 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)o1 ZINC000462306111 560805042 /nfs/dbraw/zinc/80/50/42/560805042.db2.gz PCOUDXKRXRHUIJ-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)o1 ZINC000464185224 560835048 /nfs/dbraw/zinc/83/50/48/560835048.db2.gz LSVLRXZABGLSGC-UHFFFAOYSA-N -1 1 371.798 2.271 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CN1c1ccc(F)cc1 ZINC000464214587 560836355 /nfs/dbraw/zinc/83/63/55/560836355.db2.gz XTABBGZUQWQFHI-ZDUSSCGKSA-N -1 1 372.780 2.312 20 0 FEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1F ZINC000466899026 560898756 /nfs/dbraw/zinc/89/87/56/560898756.db2.gz FTOIIFHPTBGBFT-UHFFFAOYSA-N -1 1 358.329 2.169 20 0 FEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1F ZINC000466899026 560898757 /nfs/dbraw/zinc/89/87/57/560898757.db2.gz FTOIIFHPTBGBFT-UHFFFAOYSA-N -1 1 358.329 2.169 20 0 FEADMM CC1(C)Cc2cc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)ccc2O1 ZINC000468947248 560942927 /nfs/dbraw/zinc/94/29/27/560942927.db2.gz MBYMBDWWEWOEAB-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000470981974 560995985 /nfs/dbraw/zinc/99/59/85/560995985.db2.gz HSIHPIBMIHLFJL-UHFFFAOYSA-N -1 1 354.414 2.138 20 0 FEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)[nH]n1 ZINC000471505518 561005993 /nfs/dbraw/zinc/00/59/93/561005993.db2.gz RBPBVNIYYKXKRH-LLVKDONJSA-N -1 1 361.431 2.090 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1cccs1 ZINC000471617473 561008964 /nfs/dbraw/zinc/00/89/64/561008964.db2.gz GBNMVLVPVRVBSV-AWEZNQCLSA-N -1 1 354.453 2.007 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000473338053 561047802 /nfs/dbraw/zinc/04/78/02/561047802.db2.gz WXXWAQUZSKPUDR-UHFFFAOYSA-N -1 1 351.790 2.257 20 0 FEADMM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000473378157 561048952 /nfs/dbraw/zinc/04/89/52/561048952.db2.gz WBVOZNCYOQHVCH-LBPRGKRZSA-N -1 1 364.409 2.163 20 0 FEADMM CC(C)N1CC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000473380560 561049004 /nfs/dbraw/zinc/04/90/04/561049004.db2.gz QYSTUECNQZFZBH-UHFFFAOYSA-N -1 1 373.478 2.310 20 0 FEADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1 ZINC000473480037 561050811 /nfs/dbraw/zinc/05/08/11/561050811.db2.gz FFIQORQVRVJVSZ-UHFFFAOYSA-N -1 1 374.418 2.216 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000473531968 561052092 /nfs/dbraw/zinc/05/20/92/561052092.db2.gz LVVOKMYUOGYBCN-FQEVSTJZSA-N -1 1 372.469 2.404 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1F ZINC000474289942 561070310 /nfs/dbraw/zinc/07/03/10/561070310.db2.gz CMVFACICHKLMOE-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)o1 ZINC000474301791 561070597 /nfs/dbraw/zinc/07/05/97/561070597.db2.gz DZOAKSATFLPWTC-SNVBAGLBSA-N -1 1 357.771 2.132 20 0 FEADMM O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccncc1[O-] ZINC000474366228 561072324 /nfs/dbraw/zinc/07/23/24/561072324.db2.gz AAABFWQSQZOBET-UHFFFAOYSA-N -1 1 363.373 2.370 20 0 FEADMM CC(C)(NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Cl)c1F ZINC000474832848 561083932 /nfs/dbraw/zinc/08/39/32/561083932.db2.gz NESFJOLNKRYORQ-UHFFFAOYSA-N -1 1 365.792 2.361 20 0 FEADMM CC(C)(NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1nn[n-]n1 ZINC000474999769 561087408 /nfs/dbraw/zinc/08/74/08/561087408.db2.gz IJHIAYIAQUZPDG-UHFFFAOYSA-N -1 1 354.292 2.245 20 0 FEADMM CC(C)(NC(=O)c1csc(-c2c(F)cccc2F)n1)c1nn[n-]n1 ZINC000475001612 561087459 /nfs/dbraw/zinc/08/74/59/561087459.db2.gz DZSWODGMPFLEIS-UHFFFAOYSA-N -1 1 350.354 2.267 20 0 FEADMM CC(C)(NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nn[n-]n1 ZINC000475005162 561087537 /nfs/dbraw/zinc/08/75/37/561087537.db2.gz GIPMCFQEYJKWPL-UHFFFAOYSA-N -1 1 365.319 2.069 20 0 FEADMM Cc1ccc(-n2nc(C(=O)NC(C)(C)c3nn[n-]n3)c3c2CCC3)c(C)c1 ZINC000475012529 561087800 /nfs/dbraw/zinc/08/78/00/561087800.db2.gz FSHQZPZOJITOGQ-UHFFFAOYSA-N -1 1 365.441 2.156 20 0 FEADMM CC(C)Oc1cccc(CNC(=O)CS(=O)(=O)c2ccc([O-])cc2)c1 ZINC000476061899 561110576 /nfs/dbraw/zinc/11/05/76/561110576.db2.gz OFKGFOUFVTWSFN-UHFFFAOYSA-N -1 1 363.435 2.270 20 0 FEADMM CC(C)Oc1cc(Br)cc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000477046498 561135199 /nfs/dbraw/zinc/13/51/99/561135199.db2.gz DNWUYLQGFVLKNB-UHFFFAOYSA-N -1 1 366.219 2.169 20 0 FEADMM Cc1nc(=O)[nH]c(C)c1CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477106213 561136795 /nfs/dbraw/zinc/13/67/95/561136795.db2.gz JJMXAEITIGBCFX-UHFFFAOYSA-N -1 1 353.382 2.466 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000477190015 561138944 /nfs/dbraw/zinc/13/89/44/561138944.db2.gz KKOUKKFXHZAUIQ-UHFFFAOYSA-N -1 1 355.350 2.332 20 0 FEADMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1sccc1Br ZINC000528488314 562331831 /nfs/dbraw/zinc/33/18/31/562331831.db2.gz BAOJNYXZRSHAQR-HQJQHLMTSA-N -1 1 352.275 2.356 20 0 FEADMM C[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])[C@@H]1C1CC1 ZINC000528899377 562352094 /nfs/dbraw/zinc/35/20/94/562352094.db2.gz APRDFVJSNFNJLE-MZPVMMEZSA-N -1 1 364.467 2.407 20 0 FEADMM COc1cc2c(O)c(C(=O)N=c3nc(C4(C)CC4)[n-]s3)cnc2cc1F ZINC000529699703 562381372 /nfs/dbraw/zinc/38/13/72/562381372.db2.gz VCYUSTFYQOZTGI-UHFFFAOYSA-N -1 1 374.397 2.253 20 0 FEADMM COCCc1noc(CC2CCN(C(=O)c3ccc([O-])cc3F)CC2)n1 ZINC000529734664 562383449 /nfs/dbraw/zinc/38/34/49/562383449.db2.gz PFDMZCYAXMMYRZ-UHFFFAOYSA-N -1 1 363.389 2.198 20 0 FEADMM O=C(NCC12CC(C1)CO2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000529878522 562389350 /nfs/dbraw/zinc/38/93/50/562389350.db2.gz SNTNBAFRZVVBPW-UHFFFAOYSA-N -1 1 372.446 2.396 20 0 FEADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000530143837 562399878 /nfs/dbraw/zinc/39/98/78/562399878.db2.gz BAWJDHKJSXMMFU-UHFFFAOYSA-N -1 1 358.419 2.337 20 0 FEADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000530175237 562401421 /nfs/dbraw/zinc/40/14/21/562401421.db2.gz PEHQNCZACBDETE-STQMWFEESA-N -1 1 354.472 2.011 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2n1C ZINC000530722261 562421988 /nfs/dbraw/zinc/42/19/88/562421988.db2.gz FNKMUIDSABBQET-UHFFFAOYSA-N -1 1 372.406 2.013 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)nc2C)ccc1OC ZINC000531037602 562432493 /nfs/dbraw/zinc/43/24/93/562432493.db2.gz WPEMQPHTVDSTEL-UHFFFAOYSA-N -1 1 350.396 2.294 20 0 FEADMM CCCC[C@H](COC)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000531340169 562442672 /nfs/dbraw/zinc/44/26/72/562442672.db2.gz CHLRTWSDHSEHJZ-CYBMUJFWSA-N -1 1 373.475 2.393 20 0 FEADMM O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)Nc1ccc(F)cc1[O-] ZINC000531755960 562455613 /nfs/dbraw/zinc/45/56/13/562455613.db2.gz VNVMLPUFRPOKCG-UHFFFAOYSA-N -1 1 367.336 2.107 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000531839534 562458617 /nfs/dbraw/zinc/45/86/17/562458617.db2.gz GPROECQALXZFPZ-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532012684 562464112 /nfs/dbraw/zinc/46/41/12/562464112.db2.gz PJBIAUJCRQZUKQ-UHFFFAOYSA-N -1 1 352.387 2.470 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c(C)c1O ZINC000532162354 562469316 /nfs/dbraw/zinc/46/93/16/562469316.db2.gz MNNWEIWSEJFFRJ-UHFFFAOYSA-N -1 1 367.448 2.140 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)o1 ZINC000533179674 562500493 /nfs/dbraw/zinc/50/04/93/562500493.db2.gz ABZFULXSMAKFKO-NILFDRSVSA-N -1 1 369.439 2.082 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cnn(Cc3ccccc3)c2)sc1C ZINC000533253042 562502886 /nfs/dbraw/zinc/50/28/86/562502886.db2.gz QVDNFNJYRHGFGN-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533572946 562513426 /nfs/dbraw/zinc/51/34/26/562513426.db2.gz CYCVHACROCKMDT-AWEZNQCLSA-N -1 1 352.398 2.194 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)c1 ZINC000533579844 562513709 /nfs/dbraw/zinc/51/37/09/562513709.db2.gz IDKDGOQZJKLPFR-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000533690357 562516214 /nfs/dbraw/zinc/51/62/14/562516214.db2.gz ZTGHDQWDQNMJEA-UHFFFAOYSA-N -1 1 372.805 2.405 20 0 FEADMM COc1ccc(NC(=O)c2cccc(OC)c2F)cc1[N-]S(C)(=O)=O ZINC000534914920 562545179 /nfs/dbraw/zinc/54/51/79/562545179.db2.gz APTRPLDOMGYELO-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1ccc2c(c1)OCCO2 ZINC000535654919 562563447 /nfs/dbraw/zinc/56/34/47/562563447.db2.gz ICXHHOPTVGPBJR-UHFFFAOYSA-N -1 1 359.363 2.309 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)co1 ZINC000535897554 562570547 /nfs/dbraw/zinc/57/05/47/562570547.db2.gz YLZFDSXDVCWWAU-KOLCDFICSA-N -1 1 368.377 2.286 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])cn1 ZINC000541801097 562619957 /nfs/dbraw/zinc/61/99/57/562619957.db2.gz BDBUBPZSWWGRKU-UHFFFAOYSA-N -1 1 358.322 2.258 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C)(c2nc(C)no2)CC1 ZINC000541901263 562622726 /nfs/dbraw/zinc/62/27/26/562622726.db2.gz QLCLNRHXBRISQE-UHFFFAOYSA-N -1 1 363.443 2.098 20 0 FEADMM CCOCCCNC(=S)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806596027 674382476 /nfs/dbraw/zinc/38/24/76/674382476.db2.gz RJODVDSWORWAGG-SRVKXCTJSA-N -1 1 369.453 2.065 20 0 FEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3sccc3Cl)[C@H]2C1 ZINC000556294369 674395376 /nfs/dbraw/zinc/39/53/76/674395376.db2.gz GTBMFRJKDYCIEX-GVXVVHGQSA-N -1 1 362.904 2.327 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)CN1c1ccccc1 ZINC000556302124 674395700 /nfs/dbraw/zinc/39/57/00/674395700.db2.gz HQJQYHOJFHLWMI-JSGCOSHPSA-N -1 1 358.410 2.147 20 0 FEADMM COC(=O)C12CCC(CC1)N2C(=O)c1cc(Br)ccc1[O-] ZINC000601829219 567850044 /nfs/dbraw/zinc/85/00/44/567850044.db2.gz MDDOKCHSGZUJNJ-UHFFFAOYSA-N -1 1 354.200 2.465 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)c(F)c1 ZINC000601958389 567886317 /nfs/dbraw/zinc/88/63/17/567886317.db2.gz AYPJZYSDMWXYFH-UHFFFAOYSA-N -1 1 367.402 2.025 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c1C ZINC000601975264 567893578 /nfs/dbraw/zinc/89/35/78/567893578.db2.gz IYRFEENDYMWSOC-KRWDZBQOSA-N -1 1 371.455 2.107 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(Cc3ccc(Cl)cc3)CC2)n[n-]1 ZINC000603018498 568052167 /nfs/dbraw/zinc/05/21/67/568052167.db2.gz RWVZAOWTVPEJED-UHFFFAOYSA-N -1 1 362.817 2.274 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(Cc3ccc(Cl)cc3)CC2)n1 ZINC000603018498 568052168 /nfs/dbraw/zinc/05/21/68/568052168.db2.gz RWVZAOWTVPEJED-UHFFFAOYSA-N -1 1 362.817 2.274 20 0 FEADMM CO[C@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)[C@@H]1CCOC1 ZINC000617129518 568219199 /nfs/dbraw/zinc/21/91/99/568219199.db2.gz IROUHPYLTTWYAA-MEBBXXQBSA-N -1 1 350.802 2.375 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000604788770 568367110 /nfs/dbraw/zinc/36/71/10/568367110.db2.gz OQDGHWFGEGBOFX-BFQNTYOBSA-N -1 1 355.348 2.487 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc2c1CN(C)C2=O ZINC000643269789 568451728 /nfs/dbraw/zinc/45/17/28/568451728.db2.gz PCMOYDLOJANVLM-HNNXBMFYSA-N -1 1 374.462 2.272 20 0 FEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H]1CCOC1 ZINC000738111657 598835205 /nfs/dbraw/zinc/83/52/05/598835205.db2.gz IWHJXXKETUNANV-CYBMUJFWSA-N -1 1 355.423 2.248 20 0 FEADMM Cc1cc(C)cc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737250135 598843846 /nfs/dbraw/zinc/84/38/46/598843846.db2.gz JBMFXXLMFKVQBV-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1cc(C)cc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737250135 598843847 /nfs/dbraw/zinc/84/38/47/598843847.db2.gz JBMFXXLMFKVQBV-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736400901 598874238 /nfs/dbraw/zinc/87/42/38/598874238.db2.gz DAMPSUMUAYVRDJ-SNVBAGLBSA-N -1 1 355.851 2.331 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736400901 598874239 /nfs/dbraw/zinc/87/42/39/598874239.db2.gz DAMPSUMUAYVRDJ-SNVBAGLBSA-N -1 1 355.851 2.331 20 0 FEADMM CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736399910 598877253 /nfs/dbraw/zinc/87/72/53/598877253.db2.gz LSTVGYKMYPRTAT-LLVKDONJSA-N -1 1 353.423 2.349 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1c1ccco1 ZINC000738353078 599295417 /nfs/dbraw/zinc/29/54/17/599295417.db2.gz CWLICXZLIPJFGV-NSHDSACASA-N -1 1 363.374 2.125 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1c1ccco1 ZINC000738353078 599295419 /nfs/dbraw/zinc/29/54/19/599295419.db2.gz CWLICXZLIPJFGV-NSHDSACASA-N -1 1 363.374 2.125 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NCCCC(C)(C)C)cc1-c1nn[n-]n1 ZINC000737186590 598892168 /nfs/dbraw/zinc/89/21/68/598892168.db2.gz JYWWJYDGZIPVPZ-UHFFFAOYSA-N -1 1 350.448 2.245 20 0 FEADMM CCN(CCO)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736536351 598906243 /nfs/dbraw/zinc/90/62/43/598906243.db2.gz JGZCMZKMOLZRDY-UHFFFAOYSA-N -1 1 372.454 2.119 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000736472800 598945408 /nfs/dbraw/zinc/94/54/08/598945408.db2.gz SIWPHWGWEAFKIH-HUUCEWRRSA-N -1 1 358.446 2.318 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000736472800 598945409 /nfs/dbraw/zinc/94/54/09/598945409.db2.gz SIWPHWGWEAFKIH-HUUCEWRRSA-N -1 1 358.446 2.318 20 0 FEADMM CS(=O)(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737174328 598960408 /nfs/dbraw/zinc/96/04/08/598960408.db2.gz VKOCOXBMYDLDJF-UHFFFAOYSA-N -1 1 368.378 2.006 20 0 FEADMM Cc1csc(C2(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CCCC2)n1 ZINC000737455392 599006127 /nfs/dbraw/zinc/00/61/27/599006127.db2.gz PXKIGDNCVSNBRM-UHFFFAOYSA-N -1 1 355.427 2.226 20 0 FEADMM Cc1csc(C2(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CCCC2)n1 ZINC000737455392 599006129 /nfs/dbraw/zinc/00/61/29/599006129.db2.gz PXKIGDNCVSNBRM-UHFFFAOYSA-N -1 1 355.427 2.226 20 0 FEADMM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737130878 599021059 /nfs/dbraw/zinc/02/10/59/599021059.db2.gz TXVJSVQSUMSGTJ-INIZCTEOSA-N -1 1 350.382 2.248 20 0 FEADMM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737130878 599021061 /nfs/dbraw/zinc/02/10/61/599021061.db2.gz TXVJSVQSUMSGTJ-INIZCTEOSA-N -1 1 350.382 2.248 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000738259231 599024590 /nfs/dbraw/zinc/02/45/90/599024590.db2.gz OQAIEUCLGSKZHN-OAHLLOKOSA-N -1 1 352.373 2.248 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000738259231 599024591 /nfs/dbraw/zinc/02/45/91/599024591.db2.gz OQAIEUCLGSKZHN-OAHLLOKOSA-N -1 1 352.373 2.248 20 0 FEADMM CC1CCC(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736241425 599032549 /nfs/dbraw/zinc/03/25/49/599032549.db2.gz NFURWABZERNNIS-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM CC1CCC(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736241425 599032550 /nfs/dbraw/zinc/03/25/50/599032550.db2.gz NFURWABZERNNIS-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@@H]2CCCO[C@@H]21 ZINC000820583751 599041631 /nfs/dbraw/zinc/04/16/31/599041631.db2.gz FDIMPPKEGUMYMA-VUCTXSBTSA-N -1 1 350.426 2.452 20 0 FEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@@H]2CCCO[C@@H]21 ZINC000820583751 599041634 /nfs/dbraw/zinc/04/16/34/599041634.db2.gz FDIMPPKEGUMYMA-VUCTXSBTSA-N -1 1 350.426 2.452 20 0 FEADMM OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823706871 599106622 /nfs/dbraw/zinc/10/66/22/599106622.db2.gz QLIQEEFCYIFCCA-LLVKDONJSA-N -1 1 369.816 2.412 20 0 FEADMM OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823706871 599106623 /nfs/dbraw/zinc/10/66/23/599106623.db2.gz QLIQEEFCYIFCCA-LLVKDONJSA-N -1 1 369.816 2.412 20 0 FEADMM O=C(O[C@@H]1CCCN(c2ccccc2)C1=O)c1sccc1-c1nn[n-]n1 ZINC000738213809 599126547 /nfs/dbraw/zinc/12/65/47/599126547.db2.gz HNPGWJXZLYVGGZ-CYBMUJFWSA-N -1 1 369.406 2.281 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737343711 599132710 /nfs/dbraw/zinc/13/27/10/599132710.db2.gz UJSMWSLYCJROAZ-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737343711 599132712 /nfs/dbraw/zinc/13/27/12/599132712.db2.gz UJSMWSLYCJROAZ-UHFFFAOYSA-N -1 1 372.772 2.019 20 0 FEADMM CCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736499230 599138620 /nfs/dbraw/zinc/13/86/20/599138620.db2.gz CRDFDPQCQPVNOA-UHFFFAOYSA-N -1 1 368.397 2.130 20 0 FEADMM CCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736499230 599138623 /nfs/dbraw/zinc/13/86/23/599138623.db2.gz CRDFDPQCQPVNOA-UHFFFAOYSA-N -1 1 368.397 2.130 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc(-c2ccccc2)o1 ZINC000736157796 599138921 /nfs/dbraw/zinc/13/89/21/599138921.db2.gz MSVHBSKICJKUGK-SNVBAGLBSA-N -1 1 363.337 2.230 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc(-c2ccccc2)o1 ZINC000736157796 599138922 /nfs/dbraw/zinc/13/89/22/599138922.db2.gz MSVHBSKICJKUGK-SNVBAGLBSA-N -1 1 363.337 2.230 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)C1 ZINC000819379899 597043472 /nfs/dbraw/zinc/04/34/72/597043472.db2.gz FSNSKJURISBJMH-YHWKNFMLSA-N -1 1 357.410 2.066 20 0 FEADMM CCN(C(=O)CSCC(=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000572481543 597097965 /nfs/dbraw/zinc/09/79/65/597097965.db2.gz MWMBAQNSVAWZDB-GDBMZVCRSA-N -1 1 350.484 2.488 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000820986090 597507296 /nfs/dbraw/zinc/50/72/96/597507296.db2.gz HHYKQYLBDYXIKN-KRWDZBQOSA-N -1 1 362.474 2.368 20 0 FEADMM CC[C@H]1CC[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807708223 674424970 /nfs/dbraw/zinc/42/49/70/674424970.db2.gz NSSOFFKYCNDECS-NWBUJAPZSA-N -1 1 350.381 2.248 20 0 FEADMM O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338721 598260092 /nfs/dbraw/zinc/26/00/92/598260092.db2.gz IFGAEESPFMMBER-UHFFFAOYSA-N -1 1 353.363 2.183 20 0 FEADMM O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338721 598260094 /nfs/dbraw/zinc/26/00/94/598260094.db2.gz IFGAEESPFMMBER-UHFFFAOYSA-N -1 1 353.363 2.183 20 0 FEADMM O=S(=O)(Oc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338169 598260110 /nfs/dbraw/zinc/26/01/10/598260110.db2.gz CYTGUZIGKZXZFB-UHFFFAOYSA-N -1 1 371.300 2.048 20 0 FEADMM O=S(=O)(Oc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338169 598260111 /nfs/dbraw/zinc/26/01/11/598260111.db2.gz CYTGUZIGKZXZFB-UHFFFAOYSA-N -1 1 371.300 2.048 20 0 FEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737390739 598267859 /nfs/dbraw/zinc/26/78/59/598267859.db2.gz WNRMWCOROMWMHB-MRXNPFEDSA-N -1 1 370.438 2.096 20 0 FEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737390739 598267861 /nfs/dbraw/zinc/26/78/61/598267861.db2.gz WNRMWCOROMWMHB-MRXNPFEDSA-N -1 1 370.438 2.096 20 0 FEADMM Cc1csc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000737453408 598277061 /nfs/dbraw/zinc/27/70/61/598277061.db2.gz UPLDUKJIVXUSBH-UHFFFAOYSA-N -1 1 362.850 2.007 20 0 FEADMM Cc1csc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000737453408 598277063 /nfs/dbraw/zinc/27/70/63/598277063.db2.gz UPLDUKJIVXUSBH-UHFFFAOYSA-N -1 1 362.850 2.007 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000737189508 598307211 /nfs/dbraw/zinc/30/72/11/598307211.db2.gz NJPSQYIFKAESGD-LLVKDONJSA-N -1 1 374.470 2.112 20 0 FEADMM COc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1Br ZINC000737096824 598351818 /nfs/dbraw/zinc/35/18/18/598351818.db2.gz ZMVIETABPBZPTF-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM COc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1Br ZINC000737096824 598351819 /nfs/dbraw/zinc/35/18/19/598351819.db2.gz ZMVIETABPBZPTF-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM CCc1nn(CC(=O)c2ccc(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705399 598377623 /nfs/dbraw/zinc/37/76/23/598377623.db2.gz HRNXGHCPSPXFPK-UHFFFAOYSA-N -1 1 366.425 2.048 20 0 FEADMM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)C(F)(F)F ZINC000807896974 674433812 /nfs/dbraw/zinc/43/38/12/674433812.db2.gz FWXPXEKMILCCFX-SECBINFHSA-N -1 1 368.302 2.312 20 0 FEADMM CNC(=O)[C@H](CCSC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000807904013 674434240 /nfs/dbraw/zinc/43/42/40/674434240.db2.gz NNRCGGQIRQAIOW-JTQLQIEISA-N -1 1 352.353 2.041 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000738371454 598503479 /nfs/dbraw/zinc/50/34/79/598503479.db2.gz KFQPPIVUJIDXOZ-UHFFFAOYSA-N -1 1 351.341 2.400 20 0 FEADMM CCCCC[C@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736440911 598503722 /nfs/dbraw/zinc/50/37/22/598503722.db2.gz IMSRMEKZTKXIES-ZDUSSCGKSA-N -1 1 368.441 2.267 20 0 FEADMM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737396316 598595763 /nfs/dbraw/zinc/59/57/63/598595763.db2.gz HJDBNMZJPRTZSZ-UHFFFAOYSA-N -1 1 358.427 2.174 20 0 FEADMM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737396316 598595764 /nfs/dbraw/zinc/59/57/64/598595764.db2.gz HJDBNMZJPRTZSZ-UHFFFAOYSA-N -1 1 358.427 2.174 20 0 FEADMM Cn1nccc1C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737628799 598668233 /nfs/dbraw/zinc/66/82/33/598668233.db2.gz RCXQVGZUANUWLI-UHFFFAOYSA-N -1 1 350.839 2.094 20 0 FEADMM Cn1nccc1C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737628799 598668234 /nfs/dbraw/zinc/66/82/34/598668234.db2.gz RCXQVGZUANUWLI-UHFFFAOYSA-N -1 1 350.839 2.094 20 0 FEADMM O=S(=O)(Oc1cccc(Cl)c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738338588 598685854 /nfs/dbraw/zinc/68/58/54/598685854.db2.gz GNAROCCFUSBHBE-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000736128994 598686629 /nfs/dbraw/zinc/68/66/29/598686629.db2.gz BZPMCTAAVVUKHF-QMMMGPOBSA-N -1 1 353.404 2.107 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)c1 ZINC000808121146 674442608 /nfs/dbraw/zinc/44/26/08/674442608.db2.gz AFPJLZHBDRAIGQ-UHFFFAOYSA-N -1 1 361.419 2.298 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1ccccc1F ZINC000738295587 598775538 /nfs/dbraw/zinc/77/55/38/598775538.db2.gz IPOKUJHNCRRXSV-LLVKDONJSA-N -1 1 373.779 2.272 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1ccccc1F ZINC000738295587 598775539 /nfs/dbraw/zinc/77/55/39/598775539.db2.gz IPOKUJHNCRRXSV-LLVKDONJSA-N -1 1 373.779 2.272 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CN1CCc2ccccc21 ZINC000557339884 674445780 /nfs/dbraw/zinc/44/57/80/674445780.db2.gz MBFFWEQOBULKLC-UHFFFAOYSA-N -1 1 363.414 2.198 20 0 FEADMM CN(C)S(=O)(=O)c1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1F ZINC000557361024 674446427 /nfs/dbraw/zinc/44/64/27/674446427.db2.gz KESCZYNZFSMAHS-UHFFFAOYSA-N -1 1 374.340 2.312 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1c(O)cccc1F ZINC000737201833 599365293 /nfs/dbraw/zinc/36/52/93/599365293.db2.gz WVOYBNDHSZGLOE-UHFFFAOYSA-N -1 1 372.360 2.000 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820768398 599366066 /nfs/dbraw/zinc/36/60/66/599366066.db2.gz NFAHAGKGRBJTPZ-RKDXNWHRSA-N -1 1 373.891 2.035 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)c1ccncc1 ZINC000737201872 599367838 /nfs/dbraw/zinc/36/78/38/599367838.db2.gz XGMKRGKIDOFPMW-LBPRGKRZSA-N -1 1 368.397 2.216 20 0 FEADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736963864 599378964 /nfs/dbraw/zinc/37/89/64/599378964.db2.gz UTYFJPDSFULQDP-BONVTDFDSA-N -1 1 372.816 2.421 20 0 FEADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736963864 599378967 /nfs/dbraw/zinc/37/89/67/599378967.db2.gz UTYFJPDSFULQDP-BONVTDFDSA-N -1 1 372.816 2.421 20 0 FEADMM O=C(CNc1cccc(-c2nnn[n-]2)n1)Nc1ccc(Br)cc1 ZINC000737898902 599414915 /nfs/dbraw/zinc/41/49/15/599414915.db2.gz MKIULDRGUPAJQT-UHFFFAOYSA-N -1 1 374.202 2.075 20 0 FEADMM O=C(CNc1cccc(-c2nn[n-]n2)n1)Nc1ccc(Br)cc1 ZINC000737898902 599414919 /nfs/dbraw/zinc/41/49/19/599414919.db2.gz MKIULDRGUPAJQT-UHFFFAOYSA-N -1 1 374.202 2.075 20 0 FEADMM CCO[C@H](C)c1noc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)n1 ZINC000736617819 599462731 /nfs/dbraw/zinc/46/27/31/599462731.db2.gz SABUKMBUHKGZAP-MRVPVSSYSA-N -1 1 362.419 2.046 20 0 FEADMM O=C(CNc1cc(-c2nnn[n-]2)nc2ccccc21)N1CCc2ccccc21 ZINC000823009616 599517343 /nfs/dbraw/zinc/51/73/43/599517343.db2.gz PBQZRQXZKFGFQO-UHFFFAOYSA-N -1 1 371.404 2.416 20 0 FEADMM O=C(CNc1cc(-c2nn[n-]n2)nc2ccccc21)N1CCc2ccccc21 ZINC000823009616 599517345 /nfs/dbraw/zinc/51/73/45/599517345.db2.gz PBQZRQXZKFGFQO-UHFFFAOYSA-N -1 1 371.404 2.416 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821919489 599571136 /nfs/dbraw/zinc/57/11/36/599571136.db2.gz BNWAIFAVZSIKED-RYUDHWBXSA-N -1 1 372.454 2.183 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821919489 599571138 /nfs/dbraw/zinc/57/11/38/599571138.db2.gz BNWAIFAVZSIKED-RYUDHWBXSA-N -1 1 372.454 2.183 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000739452040 599779555 /nfs/dbraw/zinc/77/95/55/599779555.db2.gz QEPKRWNJCYSVNC-ZDUSSCGKSA-N -1 1 369.402 2.456 20 0 FEADMM COC(=O)N1CCC[C@H](Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)C1 ZINC000737632744 599843131 /nfs/dbraw/zinc/84/31/31/599843131.db2.gz IHVASEUVMOPTNX-JTQLQIEISA-N -1 1 364.427 2.071 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnoc2)c(Br)cc1F ZINC000740090136 599924529 /nfs/dbraw/zinc/92/45/29/599924529.db2.gz TXKRPXDTPIQGCO-UHFFFAOYSA-N -1 1 365.136 2.075 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000738274835 599933114 /nfs/dbraw/zinc/93/31/14/599933114.db2.gz JCZJPQNKWFWCMD-CHWSQXEVSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCCC[C@H]2[C@@H](O)c2ccccc2)CCCCC1 ZINC000739285669 599994185 /nfs/dbraw/zinc/99/41/85/599994185.db2.gz KDDTVVLWUCJAPR-HKUYNNGSSA-N -1 1 374.481 2.478 20 0 FEADMM COc1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c(C(=O)[O-])c1 ZINC000738033793 600072063 /nfs/dbraw/zinc/07/20/63/600072063.db2.gz FXASSJAAGBXAHK-UHFFFAOYSA-N -1 1 369.381 2.386 20 0 FEADMM C[C@@](CO)(NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1 ZINC000736606487 600142425 /nfs/dbraw/zinc/14/24/25/600142425.db2.gz FTHCFLMTWHLAFL-IBGZPJMESA-N -1 1 374.462 2.371 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)N(C)C)C(=O)[O-])cc1 ZINC000738552105 600173651 /nfs/dbraw/zinc/17/36/51/600173651.db2.gz MNYJUEZLTPHMPD-RTBURBONSA-N -1 1 354.450 2.452 20 0 FEADMM CCOC(=O)CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000825508522 607430136 /nfs/dbraw/zinc/43/01/36/607430136.db2.gz ZBESVRREVUTWAI-UHFFFAOYSA-N -1 1 363.443 2.124 20 0 FEADMM CCOC(=O)CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825508522 607430138 /nfs/dbraw/zinc/43/01/38/607430138.db2.gz ZBESVRREVUTWAI-UHFFFAOYSA-N -1 1 363.443 2.124 20 0 FEADMM O=C([O-])CCCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000739672770 600224074 /nfs/dbraw/zinc/22/40/74/600224074.db2.gz UEIHWJMRFGGTLA-UHFFFAOYSA-N -1 1 373.375 2.126 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H](O)C(F)(F)F ZINC000632672483 677009493 /nfs/dbraw/zinc/00/94/93/677009493.db2.gz AEMXENZSMKLWOP-FFWSUHOLSA-N -1 1 368.196 2.101 20 0 FEADMM Cc1[nH]c(C(=O)CSc2nc(-c3ccccn3)n[nH]2)c(C)c1C(=O)[O-] ZINC000738153652 600275028 /nfs/dbraw/zinc/27/50/28/600275028.db2.gz ACUHZZBLNQCCJY-UHFFFAOYSA-N -1 1 357.395 2.485 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000737688177 600290867 /nfs/dbraw/zinc/29/08/67/600290867.db2.gz JPCSMAPKNHCWNK-HIFRSBDPSA-N -1 1 374.437 2.295 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738121375 600297516 /nfs/dbraw/zinc/29/75/16/600297516.db2.gz QOQQZXDBEBOGMG-GOEBONIOSA-N -1 1 360.454 2.401 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738013910 600309152 /nfs/dbraw/zinc/30/91/52/600309152.db2.gz PBMHTERQFXPVIU-CQSZACIVSA-N -1 1 366.845 2.152 20 0 FEADMM COc1cc(NC(=O)CN(CCC(=O)[O-])C(C)C)c(OC)cc1Cl ZINC000737890549 600395600 /nfs/dbraw/zinc/39/56/00/600395600.db2.gz AFTDCEDBBXVAEV-UHFFFAOYSA-N -1 1 358.822 2.481 20 0 FEADMM Cc1nc(C)n(C[C@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC000738850611 600427292 /nfs/dbraw/zinc/42/72/92/600427292.db2.gz RFDZJNWPKODBGJ-HNNXBMFYSA-N -1 1 368.441 2.313 20 0 FEADMM Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ccc1O ZINC000822206920 607446475 /nfs/dbraw/zinc/44/64/75/607446475.db2.gz CWEIFFBVOKZXDV-UHFFFAOYSA-N -1 1 368.397 2.169 20 0 FEADMM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000736661859 600521464 /nfs/dbraw/zinc/52/14/64/600521464.db2.gz IVKGWPNIACPBAO-OLZOCXBDSA-N -1 1 370.405 2.469 20 0 FEADMM CCn1ncc2c1CCC[C@H]2N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830451172 600693627 /nfs/dbraw/zinc/69/36/27/600693627.db2.gz IGVBNCOAUZYAPI-ZIAGYGMSSA-N -1 1 374.466 2.435 20 0 FEADMM Cc1c(C(=O)[O-])sc2[nH]c(CN(C(C)C)C3CCOCC3)nc(=O)c12 ZINC000738289108 600718165 /nfs/dbraw/zinc/71/81/65/600718165.db2.gz DHQUCDJKRVBZIS-UHFFFAOYSA-N -1 1 365.455 2.381 20 0 FEADMM CN(c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1)S(C)(=O)=O ZINC000830882697 600748569 /nfs/dbraw/zinc/74/85/69/600748569.db2.gz CDNCUAJCAWDULN-MRXNPFEDSA-N -1 1 366.414 2.137 20 0 FEADMM CCCn1c(=O)[nH]nc1S[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829580533 600804559 /nfs/dbraw/zinc/80/45/59/600804559.db2.gz XYCFPMZJWHMXSO-VIFPVBQESA-N -1 1 368.440 2.051 20 0 FEADMM COCCOC[C@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000831763327 600846838 /nfs/dbraw/zinc/84/68/38/600846838.db2.gz PERJBTYMAJVHTL-CABCVRRESA-N -1 1 364.442 2.005 20 0 FEADMM COCCOC[C@@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000831763329 600846940 /nfs/dbraw/zinc/84/69/40/600846940.db2.gz PERJBTYMAJVHTL-HUUCEWRRSA-N -1 1 364.442 2.005 20 0 FEADMM Cc1nnc(SCC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)[nH]1 ZINC000832990513 600979398 /nfs/dbraw/zinc/97/93/98/600979398.db2.gz DGTIZIXNMZUDFE-LLVKDONJSA-N -1 1 354.819 2.191 20 0 FEADMM Cc1n[nH]c(SCC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)n1 ZINC000832990513 600979400 /nfs/dbraw/zinc/97/94/00/600979400.db2.gz DGTIZIXNMZUDFE-LLVKDONJSA-N -1 1 354.819 2.191 20 0 FEADMM Cc1nnc(SCCC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])[nH]1 ZINC000833021948 600979454 /nfs/dbraw/zinc/97/94/54/600979454.db2.gz UCEFEMBZXBQDLL-KBPBESRZSA-N -1 1 366.487 2.477 20 0 FEADMM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000324748021 600982359 /nfs/dbraw/zinc/98/23/59/600982359.db2.gz QVTHECXLRLVLCT-UHFFFAOYSA-N -1 1 362.285 2.479 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNc3cncc(C(=O)[O-])n3)cc2)C[C@H](C)O1 ZINC000649384860 600999991 /nfs/dbraw/zinc/99/99/91/600999991.db2.gz XFOZCGAHFSLWRA-OKILXGFUSA-N -1 1 356.426 2.396 20 0 FEADMM CC[C@@](C)(NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000828693066 601015953 /nfs/dbraw/zinc/01/59/53/601015953.db2.gz QNVAREZLTFLBSJ-CXAGYDPISA-N -1 1 350.440 2.496 20 0 FEADMM C[C@H](CN(CC(=O)Nc1nc(C2CC2)no1)Cc1ccccc1)C(=O)[O-] ZINC000827449465 601054936 /nfs/dbraw/zinc/05/49/36/601054936.db2.gz KSOBMJSKACLJDN-GFCCVEGCSA-N -1 1 358.398 2.108 20 0 FEADMM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000826335151 607487243 /nfs/dbraw/zinc/48/72/43/607487243.db2.gz AYWOVIUKURQPKJ-KRWDZBQOSA-N -1 1 374.408 2.253 20 0 FEADMM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000826335151 607487244 /nfs/dbraw/zinc/48/72/44/607487244.db2.gz AYWOVIUKURQPKJ-KRWDZBQOSA-N -1 1 374.408 2.253 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000630223709 601095636 /nfs/dbraw/zinc/09/56/36/601095636.db2.gz KWDPFTYUBRXVPC-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 ZINC000630225700 601096951 /nfs/dbraw/zinc/09/69/51/601096951.db2.gz WHLWGDWCLGEYPQ-CQSZACIVSA-N -1 1 359.401 2.237 20 0 FEADMM CCCc1nnc([C@H]2CN(C(=O)c3ccccc3NC(=O)[O-])CCO2)[nH]1 ZINC000737051043 601101613 /nfs/dbraw/zinc/10/16/13/601101613.db2.gz PQTZNMGNGPUIGF-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)c3ccccc3NC(=O)[O-])CCO2)n1 ZINC000737051043 601101616 /nfs/dbraw/zinc/10/16/16/601101616.db2.gz PQTZNMGNGPUIGF-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)n[nH]1 ZINC000736300421 601106392 /nfs/dbraw/zinc/10/63/92/601106392.db2.gz XVAIXUYFTUAYSY-KGLIPLIRSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)[nH]1 ZINC000736300421 601106394 /nfs/dbraw/zinc/10/63/94/601106394.db2.gz XVAIXUYFTUAYSY-KGLIPLIRSA-N -1 1 362.405 2.441 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCSc2ccc(F)cc2)CC1 ZINC000630225553 601106988 /nfs/dbraw/zinc/10/69/88/601106988.db2.gz VALMOQWTGXWYTI-ZDUSSCGKSA-N -1 1 354.447 2.315 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000630222203 601106990 /nfs/dbraw/zinc/10/69/90/601106990.db2.gz DFROABXWYVUTEV-HNNXBMFYSA-N -1 1 356.422 2.226 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000827355646 601107073 /nfs/dbraw/zinc/10/70/73/601107073.db2.gz LMRDSJZTXKLUIH-YBJDMEARSA-N -1 1 359.451 2.317 20 0 FEADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224558 601107147 /nfs/dbraw/zinc/10/71/47/601107147.db2.gz PAWSWZGSLSVWJN-UONOGXRCSA-N -1 1 368.861 2.423 20 0 FEADMM Cc1noc2ncc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc12 ZINC000738955953 601116949 /nfs/dbraw/zinc/11/69/49/601116949.db2.gz WDEQHDWHTXEBNI-UHFFFAOYSA-N -1 1 351.315 2.169 20 0 FEADMM CC(C)COc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cn1 ZINC000826905088 601133235 /nfs/dbraw/zinc/13/32/35/601133235.db2.gz AKECEIGFKKKILP-AWEZNQCLSA-N -1 1 364.446 2.129 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000830581880 601150117 /nfs/dbraw/zinc/15/01/17/601150117.db2.gz SRLBTNFKTGPWEN-CABCVRRESA-N -1 1 368.865 2.384 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC000828714480 601155778 /nfs/dbraw/zinc/15/57/78/601155778.db2.gz ASRHGHFGFAVPSR-ZJOBFFGXSA-N -1 1 368.499 2.252 20 0 FEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737745744 601239466 /nfs/dbraw/zinc/23/94/66/601239466.db2.gz PXJIOBJJDDZHSJ-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC[C@H]1c1ccccn1 ZINC000831916749 601360434 /nfs/dbraw/zinc/36/04/34/601360434.db2.gz BMCBUZGTXSQKQR-RDJZCZTQSA-N -1 1 372.421 2.365 20 0 FEADMM O=C([O-])C[C@@H]1CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCO1 ZINC000581434895 601459224 /nfs/dbraw/zinc/45/92/24/601459224.db2.gz QRKSKKHWNCGTBL-HZPDHXFCSA-N -1 1 368.433 2.331 20 0 FEADMM CCOc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1OCC ZINC000830080490 601517156 /nfs/dbraw/zinc/51/71/56/601517156.db2.gz NQYGJDPLBBNAHC-JSGCOSHPSA-N -1 1 350.415 2.075 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnccc2SC)cc1C(=O)[O-] ZINC000832468477 601577461 /nfs/dbraw/zinc/57/74/61/601577461.db2.gz DXHBWWCYLSKBMV-UHFFFAOYSA-N -1 1 354.409 2.311 20 0 FEADMM CC(=O)c1c[nH]c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000825942392 601733510 /nfs/dbraw/zinc/73/35/10/601733510.db2.gz WTNHZIJILUIVOZ-FQEVSTJZSA-N -1 1 369.421 2.067 20 0 FEADMM CCOc1ccc2nc(NC(=O)CN[C@H](C(=O)[O-])C(C)C)sc2c1 ZINC000830094602 601822638 /nfs/dbraw/zinc/82/26/38/601822638.db2.gz PZCPUPKRIUZYTH-AWEZNQCLSA-N -1 1 351.428 2.332 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000831434917 601830413 /nfs/dbraw/zinc/83/04/13/601830413.db2.gz KQXMBRHRJCDLRR-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000595882382 601845481 /nfs/dbraw/zinc/84/54/81/601845481.db2.gz IPYLEGSXYLYMRI-GFCCVEGCSA-N -1 1 365.405 2.439 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN(Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000828029324 601886381 /nfs/dbraw/zinc/88/63/81/601886381.db2.gz YVHVMRYUHUDELO-CQSZACIVSA-N -1 1 355.188 2.111 20 0 FEADMM CC(C)N(CCC(=O)Nc1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000738843487 601904218 /nfs/dbraw/zinc/90/42/18/601904218.db2.gz IJTDEWKLQNCFIN-UHFFFAOYSA-N -1 1 362.474 2.151 20 0 FEADMM CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000828587142 601924636 /nfs/dbraw/zinc/92/46/36/601924636.db2.gz NPCUZUAVCPTELL-DZGCQCFKSA-N -1 1 352.456 2.304 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])n[nH]1 ZINC000740241985 602011967 /nfs/dbraw/zinc/01/19/67/602011967.db2.gz HLKZJSDDECCNDM-BMIGLBTASA-N -1 1 374.445 2.078 20 0 FEADMM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000830007956 602018778 /nfs/dbraw/zinc/01/87/78/602018778.db2.gz XRHFDLAMDKGFDR-ZDUSSCGKSA-N -1 1 361.398 2.186 20 0 FEADMM O=Cc1cc(Br)ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826483844 607541861 /nfs/dbraw/zinc/54/18/61/607541861.db2.gz BUNVVBYAQSFCIH-UHFFFAOYSA-N -1 1 360.171 2.416 20 0 FEADMM O=Cc1cc(Br)ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826483844 607541863 /nfs/dbraw/zinc/54/18/63/607541863.db2.gz BUNVVBYAQSFCIH-UHFFFAOYSA-N -1 1 360.171 2.416 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)c1ccsc1 ZINC000739609677 602086837 /nfs/dbraw/zinc/08/68/37/602086837.db2.gz XESYTDOMLYLUDA-UONOGXRCSA-N -1 1 354.476 2.135 20 0 FEADMM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)NCc2c[nH]nn2)c1 ZINC000833143992 602111546 /nfs/dbraw/zinc/11/15/46/602111546.db2.gz MQGNMGCVQBMVHM-UHFFFAOYSA-N -1 1 367.365 2.404 20 0 FEADMM O=C([O-])c1nscc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000833346348 602156549 /nfs/dbraw/zinc/15/65/49/602156549.db2.gz 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COc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826211875 607571527 /nfs/dbraw/zinc/57/15/27/607571527.db2.gz YDVBVMHKGPPSDS-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737562779 602536801 /nfs/dbraw/zinc/53/68/01/602536801.db2.gz YHLHBBOTCWXELV-LBPRGKRZSA-N -1 1 351.472 2.096 20 0 FEADMM CN(C[C@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1)C(=O)[O-] ZINC000739663604 602537872 /nfs/dbraw/zinc/53/78/72/602537872.db2.gz DVIICSVGAHRBEP-BXUZGUMPSA-N -1 1 357.248 2.414 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccccc1OC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739346154 602546478 /nfs/dbraw/zinc/54/64/78/602546478.db2.gz AVKAXZILSNJUME-MRXNPFEDSA-N -1 1 363.458 2.118 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]1C ZINC000824925759 607574888 /nfs/dbraw/zinc/57/48/88/607574888.db2.gz GRFXZAGWFPHAEY-GBIKHYSHSA-N -1 1 353.423 2.109 20 0 FEADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN4CCCC[C@@H]4C3)cc2C1 ZINC000740530386 602608740 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C[C@@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739176683 602793646 /nfs/dbraw/zinc/79/36/46/602793646.db2.gz UXDYXNAJMMICHA-APWZRJJASA-N -1 1 373.497 2.446 20 0 FEADMM O=C([O-])NC[C@@H]1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740641486 602863912 /nfs/dbraw/zinc/86/39/12/602863912.db2.gz IYRDFEBAGFVKJC-FZMZJTMJSA-N -1 1 371.359 2.400 20 0 FEADMM CCc1nc(CN2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)cs1 ZINC000739550593 602865955 /nfs/dbraw/zinc/86/59/55/602865955.db2.gz BKNWCVCODKASKS-AWEZNQCLSA-N -1 1 352.504 2.213 20 0 FEADMM CN(CCN1CCN(C(=O)[O-])CC1)Cc1csc(Br)c1 ZINC000739685735 602873536 /nfs/dbraw/zinc/87/35/36/602873536.db2.gz XNFJUPLGGSRGPQ-UHFFFAOYSA-N -1 1 362.293 2.238 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1ccc(N2CCCCC2)cc1 ZINC000809808628 674511064 /nfs/dbraw/zinc/51/10/64/674511064.db2.gz BFDOCPIFWAKGIQ-UHFFFAOYSA-N -1 1 364.471 2.077 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739141252 602955778 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O=C([O-])N1CC[C@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000831810245 603199160 /nfs/dbraw/zinc/19/91/60/603199160.db2.gz KQDRWTJSGHXBPO-ZETCQYMHSA-N -1 1 353.176 2.264 20 0 FEADMM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000740528668 603291280 /nfs/dbraw/zinc/29/12/80/603291280.db2.gz CORPYNCSYVMDFZ-OAHLLOKOSA-N -1 1 358.442 2.425 20 0 FEADMM O=C(C1CC1)[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCO1 ZINC000559041375 674525087 /nfs/dbraw/zinc/52/50/87/674525087.db2.gz RWCSZJQXLLKTKJ-HNNXBMFYSA-N -1 1 360.797 2.414 20 0 FEADMM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723602 603389827 /nfs/dbraw/zinc/38/98/27/603389827.db2.gz LQUWJRHMGFROFZ-RISCZKNCSA-N -1 1 366.381 2.450 20 0 FEADMM C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[C@@H]1NC(=O)[O-] ZINC000739179620 603413293 /nfs/dbraw/zinc/41/32/93/603413293.db2.gz MRYRMNMSMHDBGM-DDTOSNHZSA-N -1 1 357.248 2.461 20 0 FEADMM CCN(CC1CCN(CC(=O)N2CCc3sccc3C2)CC1)C(=O)[O-] ZINC000827094083 603503394 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353.423 2.253 20 0 FEADMM CC[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825194922 607642471 /nfs/dbraw/zinc/64/24/71/607642471.db2.gz SYWDCHNSDVDRSX-QWRGUYRKSA-N -1 1 353.423 2.253 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000824991695 607654085 /nfs/dbraw/zinc/65/40/85/607654085.db2.gz FGLXAZAUHSJQLN-ZBEGNZNMSA-N -1 1 373.413 2.388 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000832552176 603889030 /nfs/dbraw/zinc/88/90/30/603889030.db2.gz YOLYTWXJAORSML-LSDHHAIUSA-N -1 1 364.446 2.248 20 0 FEADMM Cc1ccncc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830611184 603909373 /nfs/dbraw/zinc/90/93/73/603909373.db2.gz GNWRITKJDZKIAQ-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM Cc1ccncc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830611184 603909377 /nfs/dbraw/zinc/90/93/77/603909377.db2.gz GNWRITKJDZKIAQ-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000829834221 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357.410 2.486 20 0 FEADMM O=C([O-])N1CCC(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000834078477 605475877 /nfs/dbraw/zinc/47/58/77/605475877.db2.gz LVOMARLSDQQTSK-UHFFFAOYSA-N -1 1 363.433 2.364 20 0 FEADMM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@H](c1ccco1)N1CCCC1 ZINC000831407376 605579336 /nfs/dbraw/zinc/57/93/36/605579336.db2.gz FQSHKFKUUDDJFT-ZIAGYGMSSA-N -1 1 367.471 2.018 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cnc(N2CCOCC2)s1 ZINC000834162216 605610013 /nfs/dbraw/zinc/61/00/13/605610013.db2.gz RGCSJCSRFGWUOG-AGUYFDCRSA-N -1 1 366.487 2.133 20 0 FEADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(-n3cncn3)nc2)c2ccccc21 ZINC000834157251 605792049 /nfs/dbraw/zinc/79/20/49/605792049.db2.gz HIASJGHZLMXKPD-CVEARBPZSA-N -1 1 350.382 2.206 20 0 FEADMM COC1CCC(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000559071316 674526814 /nfs/dbraw/zinc/52/68/14/674526814.db2.gz UXTPZAZYUHLXDT-UHFFFAOYSA-N -1 1 369.409 2.313 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827947 605879907 /nfs/dbraw/zinc/87/99/07/605879907.db2.gz CJIUXRMLZMIDAB-XUJVJEKNSA-N -1 1 351.834 2.423 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833827947 605879910 /nfs/dbraw/zinc/87/99/10/605879910.db2.gz CJIUXRMLZMIDAB-XUJVJEKNSA-N -1 1 351.834 2.423 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCC1(c2ccccc2)CC1 ZINC000832234992 605941011 /nfs/dbraw/zinc/94/10/11/605941011.db2.gz RWADSLRNEBYOBA-AYHJJNSGSA-N -1 1 371.481 2.488 20 0 FEADMM O=C([O-])Nc1ccccc1CC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000834271819 606048794 /nfs/dbraw/zinc/04/87/94/606048794.db2.gz MIMBKFOWIKXRLW-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM O=C([O-])Nc1ccccc1CC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000834272311 606048861 /nfs/dbraw/zinc/04/88/61/606048861.db2.gz PJNQYJLWYPURRA-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834087490 606093618 /nfs/dbraw/zinc/09/36/18/606093618.db2.gz GQIDXPGPBVCIDP-KGLIPLIRSA-N -1 1 373.457 2.168 20 0 FEADMM O=C([O-])N[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834252029 606094127 /nfs/dbraw/zinc/09/41/27/606094127.db2.gz XUCBRCAFOWPKCB-LSDHHAIUSA-N -1 1 369.425 2.397 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834166131 606094500 /nfs/dbraw/zinc/09/45/00/606094500.db2.gz CZAUEPFNEBRDKK-HZSPNIEDSA-N -1 1 361.446 2.215 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1)C(F)(F)F ZINC000810070684 674529505 /nfs/dbraw/zinc/52/95/05/674529505.db2.gz VGQQBWOATLCJRS-JTQLQIEISA-N -1 1 358.320 2.220 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2nccn2CC(F)(F)F)C1)C(F)(F)F ZINC000810070965 674529523 /nfs/dbraw/zinc/52/95/23/674529523.db2.gz YXKCWIAUWJMECZ-JTQLQIEISA-N -1 1 372.313 2.336 20 0 FEADMM COc1ccc(C)cc1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821782434 606134423 /nfs/dbraw/zinc/13/44/23/606134423.db2.gz FCYSIGIQNVMTGY-UHFFFAOYSA-N -1 1 358.379 2.285 20 0 FEADMM COc1ccc(C)cc1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821782434 606134424 /nfs/dbraw/zinc/13/44/24/606134424.db2.gz FCYSIGIQNVMTGY-UHFFFAOYSA-N -1 1 358.379 2.285 20 0 FEADMM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC000820698683 606135592 /nfs/dbraw/zinc/13/55/92/606135592.db2.gz VYOJVGDABCHBAW-VWYCJHECSA-N -1 1 363.443 2.026 20 0 FEADMM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820698683 606135593 /nfs/dbraw/zinc/13/55/93/606135593.db2.gz VYOJVGDABCHBAW-VWYCJHECSA-N -1 1 363.443 2.026 20 0 FEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820668106 606165227 /nfs/dbraw/zinc/16/52/27/606165227.db2.gz PKHOXZFHWUMSGB-PWSUYJOCSA-N -1 1 370.392 2.149 20 0 FEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820668106 606165228 /nfs/dbraw/zinc/16/52/28/606165228.db2.gz PKHOXZFHWUMSGB-PWSUYJOCSA-N -1 1 370.392 2.149 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000820380538 606170680 /nfs/dbraw/zinc/17/06/80/606170680.db2.gz WAIRGHLZDIXIJJ-SSDOTTSWSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000820380538 606170681 /nfs/dbraw/zinc/17/06/81/606170681.db2.gz WAIRGHLZDIXIJJ-SSDOTTSWSA-N -1 1 364.772 2.275 20 0 FEADMM O=C(OCCc1c[nH]nc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823410186 606178433 /nfs/dbraw/zinc/17/84/33/606178433.db2.gz QMXIBRIBXZTHBH-UHFFFAOYSA-N -1 1 358.305 2.070 20 0 FEADMM O=C(OCCc1c[nH]nc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823410186 606178434 /nfs/dbraw/zinc/17/84/34/606178434.db2.gz QMXIBRIBXZTHBH-UHFFFAOYSA-N -1 1 358.305 2.070 20 0 FEADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc(OC)c1C ZINC000821702852 606194950 /nfs/dbraw/zinc/19/49/50/606194950.db2.gz CVSSCJQTAODWCY-UHFFFAOYSA-N -1 1 355.354 2.150 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(OCCCc2ccccc2)C1 ZINC000823484422 606197903 /nfs/dbraw/zinc/19/79/03/606197903.db2.gz XQEPWRPSUYYZFU-UHFFFAOYSA-N -1 1 369.450 2.402 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(OCCCc2ccccc2)C1 ZINC000823484422 606197904 /nfs/dbraw/zinc/19/79/04/606197904.db2.gz XQEPWRPSUYYZFU-UHFFFAOYSA-N -1 1 369.450 2.402 20 0 FEADMM Cc1noc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1C ZINC000822530525 606285916 /nfs/dbraw/zinc/28/59/16/606285916.db2.gz FUEYNGPDUPPYQB-UHFFFAOYSA-N -1 1 353.342 2.416 20 0 FEADMM Cc1noc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1C ZINC000822530525 606285918 /nfs/dbraw/zinc/28/59/18/606285918.db2.gz FUEYNGPDUPPYQB-UHFFFAOYSA-N -1 1 353.342 2.416 20 0 FEADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc2c1O[C@@H](C)C2 ZINC000821702862 606296652 /nfs/dbraw/zinc/29/66/52/606296652.db2.gz DJVYLMBRPYSOGO-VIFPVBQESA-N -1 1 367.365 2.157 20 0 FEADMM CN(C)C(=O)COc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821577925 606424584 /nfs/dbraw/zinc/42/45/84/606424584.db2.gz DUBXBBRMSYOJNL-UHFFFAOYSA-N -1 1 358.427 2.007 20 0 FEADMM COc1ccc(OC)c(CN(c2cccc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC000821841746 606450067 /nfs/dbraw/zinc/45/00/67/606450067.db2.gz MZATZGQGFGKTDV-UHFFFAOYSA-N -1 1 352.398 2.448 20 0 FEADMM COc1ccc(OC)c(CN(c2cccc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC000821841746 606450068 /nfs/dbraw/zinc/45/00/68/606450068.db2.gz MZATZGQGFGKTDV-UHFFFAOYSA-N -1 1 352.398 2.448 20 0 FEADMM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820215574 606480687 /nfs/dbraw/zinc/48/06/87/606480687.db2.gz XAXCYJJWPRKYTA-LLVKDONJSA-N -1 1 373.852 2.472 20 0 FEADMM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820215574 606480689 /nfs/dbraw/zinc/48/06/89/606480689.db2.gz XAXCYJJWPRKYTA-LLVKDONJSA-N -1 1 373.852 2.472 20 0 FEADMM CC(=O)N1CCc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000819796926 606494856 /nfs/dbraw/zinc/49/48/56/606494856.db2.gz QVTLHOYPLSVSJT-UHFFFAOYSA-N -1 1 354.395 2.090 20 0 FEADMM CC(=O)N1CCc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000819796926 606494858 /nfs/dbraw/zinc/49/48/58/606494858.db2.gz QVTLHOYPLSVSJT-UHFFFAOYSA-N -1 1 354.395 2.090 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000823483918 606515936 /nfs/dbraw/zinc/51/59/36/606515936.db2.gz OVAVUQCTVIUXTE-QMMMGPOBSA-N -1 1 361.349 2.112 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000823483918 606515937 /nfs/dbraw/zinc/51/59/37/606515937.db2.gz OVAVUQCTVIUXTE-QMMMGPOBSA-N -1 1 361.349 2.112 20 0 FEADMM O=C(NCCCN1CCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823192698 606524375 /nfs/dbraw/zinc/52/43/75/606524375.db2.gz ZJCVGRKGVWNIBS-UHFFFAOYSA-N -1 1 354.439 2.111 20 0 FEADMM O=C(NCCCN1CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823192698 606524377 /nfs/dbraw/zinc/52/43/77/606524377.db2.gz ZJCVGRKGVWNIBS-UHFFFAOYSA-N -1 1 354.439 2.111 20 0 FEADMM CCOC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821343788 606532362 /nfs/dbraw/zinc/53/23/62/606532362.db2.gz SMYNLAJEIGFOGX-UHFFFAOYSA-N -1 1 357.395 2.035 20 0 FEADMM CCOC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821343788 606532363 /nfs/dbraw/zinc/53/23/63/606532363.db2.gz SMYNLAJEIGFOGX-UHFFFAOYSA-N -1 1 357.395 2.035 20 0 FEADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821326163 606536418 /nfs/dbraw/zinc/53/64/18/606536418.db2.gz UJGONHHHRJORKT-GFCCVEGCSA-N -1 1 371.422 2.353 20 0 FEADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821326163 606536420 /nfs/dbraw/zinc/53/64/20/606536420.db2.gz UJGONHHHRJORKT-GFCCVEGCSA-N -1 1 371.422 2.353 20 0 FEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1OC ZINC000821835120 606548960 /nfs/dbraw/zinc/54/89/60/606548960.db2.gz DPHCVRZOYZPCCM-UHFFFAOYSA-N -1 1 361.383 2.206 20 0 FEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1OC ZINC000821835120 606548962 /nfs/dbraw/zinc/54/89/62/606548962.db2.gz DPHCVRZOYZPCCM-UHFFFAOYSA-N -1 1 361.383 2.206 20 0 FEADMM CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000820202674 606575186 /nfs/dbraw/zinc/57/51/86/606575186.db2.gz IYJGTWHZHBPADX-SECBINFHSA-N -1 1 359.415 2.412 20 0 FEADMM CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000820202674 606575187 /nfs/dbraw/zinc/57/51/87/606575187.db2.gz IYJGTWHZHBPADX-SECBINFHSA-N -1 1 359.415 2.412 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)CC(C)C)cc1-c1nn[n-]n1 ZINC000821978355 606585440 /nfs/dbraw/zinc/58/54/40/606585440.db2.gz LVGKMEJJPXHJID-UHFFFAOYSA-N -1 1 364.475 2.491 20 0 FEADMM Cc1oc(NC(=O)COC(=O)/C=C2\CC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548360 606636108 /nfs/dbraw/zinc/63/61/08/606636108.db2.gz JJJWSGDHLDGLLJ-SZJBZFAYSA-N -1 1 359.386 2.305 20 0 FEADMM O=C(CCCOc1cccc(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822959111 606650470 /nfs/dbraw/zinc/65/04/70/606650470.db2.gz RZJCVPAHJVDYJL-UHFFFAOYSA-N -1 1 357.345 2.303 20 0 FEADMM O=C(CCCOc1cccc(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822959111 606650471 /nfs/dbraw/zinc/65/04/71/606650471.db2.gz RZJCVPAHJVDYJL-UHFFFAOYSA-N -1 1 357.345 2.303 20 0 FEADMM CC[C@@H](Oc1ccccc1F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820938258 606650764 /nfs/dbraw/zinc/65/07/64/606650764.db2.gz HSUPFPUCACTQKB-CQSZACIVSA-N -1 1 357.345 2.302 20 0 FEADMM CC[C@@H](Oc1ccccc1F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820938258 606650765 /nfs/dbraw/zinc/65/07/65/606650765.db2.gz HSUPFPUCACTQKB-CQSZACIVSA-N -1 1 357.345 2.302 20 0 FEADMM COc1ccc(OCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821841171 606651304 /nfs/dbraw/zinc/65/13/04/606651304.db2.gz FAYBMQYGDOGCSA-UHFFFAOYSA-N -1 1 369.381 2.173 20 0 FEADMM COc1ccc(OCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821841171 606651305 /nfs/dbraw/zinc/65/13/05/606651305.db2.gz FAYBMQYGDOGCSA-UHFFFAOYSA-N -1 1 369.381 2.173 20 0 FEADMM Cc1ccn(-c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822369161 606652932 /nfs/dbraw/zinc/65/29/32/606652932.db2.gz BVEQPJZWZYSWEF-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1ccn(-c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822369161 606652933 /nfs/dbraw/zinc/65/29/33/606652933.db2.gz BVEQPJZWZYSWEF-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000559444603 674543479 /nfs/dbraw/zinc/54/34/79/674543479.db2.gz MSBSRZZXYSUNJD-ZDUSSCGKSA-N -1 1 374.340 2.450 20 0 FEADMM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822946172 606698892 /nfs/dbraw/zinc/69/88/92/606698892.db2.gz WOHMDSUOCZLETE-UHFFFAOYSA-N -1 1 373.319 2.452 20 0 FEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000821666994 606792736 /nfs/dbraw/zinc/79/27/36/606792736.db2.gz PBNIDTOZKKRABI-ITGUQSILSA-N -1 1 359.430 2.277 20 0 FEADMM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821230120 606840237 /nfs/dbraw/zinc/84/02/37/606840237.db2.gz CBIWOOKZMFCZEU-UHFFFAOYSA-N -1 1 361.402 2.217 20 0 FEADMM CC(C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820038826 606843396 /nfs/dbraw/zinc/84/33/96/606843396.db2.gz SKNSLHRTTCFIOZ-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820814004 606845221 /nfs/dbraw/zinc/84/52/21/606845221.db2.gz PDJQNKLJIYWXRH-NSHDSACASA-N -1 1 373.413 2.141 20 0 FEADMM c1ccc(O[C@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)nc1 ZINC000823792044 606879771 /nfs/dbraw/zinc/87/97/71/606879771.db2.gz NQBSFTKODBXBPW-ZDUSSCGKSA-N -1 1 359.393 2.468 20 0 FEADMM c1ccc(O[C@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)nc1 ZINC000823792044 606879773 /nfs/dbraw/zinc/87/97/73/606879773.db2.gz NQBSFTKODBXBPW-ZDUSSCGKSA-N -1 1 359.393 2.468 20 0 FEADMM CC[C@@]1(C)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000820951370 606957543 /nfs/dbraw/zinc/95/75/43/606957543.db2.gz YOKSEOUCZKNMLB-SFHVURJKSA-N -1 1 358.446 2.165 20 0 FEADMM OC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(Br)c1 ZINC000823705954 607044328 /nfs/dbraw/zinc/04/43/28/607044328.db2.gz JKPKBGUAONFYRI-GFCCVEGCSA-N -1 1 361.203 2.170 20 0 FEADMM OC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(Br)c1 ZINC000823705954 607044330 /nfs/dbraw/zinc/04/43/30/607044330.db2.gz JKPKBGUAONFYRI-GFCCVEGCSA-N -1 1 361.203 2.170 20 0 FEADMM Cc1nc2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2nc1C ZINC000822459799 607104878 /nfs/dbraw/zinc/10/48/78/607104878.db2.gz XBGGINOFGYUEKL-UHFFFAOYSA-N -1 1 352.383 2.136 20 0 FEADMM Cc1nc2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2nc1C ZINC000822459799 607104880 /nfs/dbraw/zinc/10/48/80/607104880.db2.gz XBGGINOFGYUEKL-UHFFFAOYSA-N -1 1 352.383 2.136 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1csc(Nc2ccccn2)n1 ZINC000823383050 607110721 /nfs/dbraw/zinc/11/07/21/607110721.db2.gz KHMDTIMIXJMYFJ-UHFFFAOYSA-N -1 1 371.411 2.171 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1csc(Nc2ccccn2)n1 ZINC000823383050 607110723 /nfs/dbraw/zinc/11/07/23/607110723.db2.gz KHMDTIMIXJMYFJ-UHFFFAOYSA-N -1 1 371.411 2.171 20 0 FEADMM CS/C=C\C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000821956658 607120188 /nfs/dbraw/zinc/12/01/88/607120188.db2.gz USBQNWSCCQAOMW-HJWRWDBZSA-N -1 1 356.411 2.281 20 0 FEADMM Cc1ccccc1CCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826306497 607865236 /nfs/dbraw/zinc/86/52/36/607865236.db2.gz BGJJAEGUQLTLBR-UHFFFAOYSA-N -1 1 355.373 2.052 20 0 FEADMM Cc1ccccc1CCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826306497 607865237 /nfs/dbraw/zinc/86/52/37/607865237.db2.gz BGJJAEGUQLTLBR-UHFFFAOYSA-N -1 1 355.373 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)CCC2 ZINC000826493692 607868053 /nfs/dbraw/zinc/86/80/53/607868053.db2.gz XNZCWHXBHAOLIV-UHFFFAOYSA-N -1 1 360.370 2.262 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)CCC2 ZINC000826493692 607868054 /nfs/dbraw/zinc/86/80/54/607868054.db2.gz XNZCWHXBHAOLIV-UHFFFAOYSA-N -1 1 360.370 2.262 20 0 FEADMM c1cncc(-c2nnc(Sc3cccc(-c4nnn[n-]4)n3)n2C2CC2)c1 ZINC000826525465 607895924 /nfs/dbraw/zinc/89/59/24/607895924.db2.gz LKGLDPKDADLYLP-UHFFFAOYSA-N -1 1 363.410 2.401 20 0 FEADMM c1cncc(-c2nnc(Sc3cccc(-c4nn[n-]n4)n3)n2C2CC2)c1 ZINC000826525465 607895925 /nfs/dbraw/zinc/89/59/25/607895925.db2.gz LKGLDPKDADLYLP-UHFFFAOYSA-N -1 1 363.410 2.401 20 0 FEADMM C[C@H]1CN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000824994866 607896534 /nfs/dbraw/zinc/89/65/34/607896534.db2.gz WFIUDHQAONJUCX-RYUDHWBXSA-N -1 1 352.402 2.014 20 0 FEADMM FC(F)(F)c1cccc(OCCNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000826368945 607966783 /nfs/dbraw/zinc/96/67/83/607966783.db2.gz HFMSYUHVWNWQNQ-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1cccc(OCCNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000826368945 607966784 /nfs/dbraw/zinc/96/67/84/607966784.db2.gz HFMSYUHVWNWQNQ-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM CC(C)c1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c(C(C)C)c1 ZINC000824347700 608095666 /nfs/dbraw/zinc/09/56/66/608095666.db2.gz KXCGIFMTQALKME-UHFFFAOYSA-N -1 1 368.441 2.022 20 0 FEADMM O=C(NCc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)c([O-])c1 ZINC000826442657 608109740 /nfs/dbraw/zinc/10/97/40/608109740.db2.gz FTCAIOUPPXCTOD-UHFFFAOYSA-N -1 1 374.198 2.265 20 0 FEADMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825953692 608148437 /nfs/dbraw/zinc/14/84/37/608148437.db2.gz LQCKEIGXRLAVAB-UHFFFAOYSA-N -1 1 366.212 2.029 20 0 FEADMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825953692 608148438 /nfs/dbraw/zinc/14/84/38/608148438.db2.gz LQCKEIGXRLAVAB-UHFFFAOYSA-N -1 1 366.212 2.029 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826231794 608199928 /nfs/dbraw/zinc/19/99/28/608199928.db2.gz ZTZZEMQHJRHTOT-KOLCDFICSA-N -1 1 374.470 2.016 20 0 FEADMM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824977927 608261519 /nfs/dbraw/zinc/26/15/19/608261519.db2.gz SXGLRUMVBFMIAI-STQMWFEESA-N -1 1 373.461 2.091 20 0 FEADMM Cn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)ccc1=O ZINC000826358932 608348936 /nfs/dbraw/zinc/34/89/36/608348936.db2.gz OIADEOFAFBPVHP-UHFFFAOYSA-N -1 1 358.427 2.177 20 0 FEADMM Cn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)ccc1=O ZINC000826358932 608348938 /nfs/dbraw/zinc/34/89/38/608348938.db2.gz OIADEOFAFBPVHP-UHFFFAOYSA-N -1 1 358.427 2.177 20 0 FEADMM C[C@H](O)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824700040 608352665 /nfs/dbraw/zinc/35/26/65/608352665.db2.gz WZLBNVQFRIUCDM-NSHDSACASA-N -1 1 372.454 2.117 20 0 FEADMM C[C@H]1CCC[C@H](OCCCCCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824929754 608385843 /nfs/dbraw/zinc/38/58/43/608385843.db2.gz YMYLNFYUSXAAPG-STQMWFEESA-N -1 1 361.450 2.441 20 0 FEADMM Clc1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)nc1-c1nnn[n-]1 ZINC000826352250 608408821 /nfs/dbraw/zinc/40/88/21/608408821.db2.gz UTNRIHYJXBPYOR-JTQLQIEISA-N -1 1 371.836 2.226 20 0 FEADMM Clc1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)nc1-c1nn[n-]n1 ZINC000826352250 608408824 /nfs/dbraw/zinc/40/88/24/608408824.db2.gz UTNRIHYJXBPYOR-JTQLQIEISA-N -1 1 371.836 2.226 20 0 FEADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1c(Cl)cccc1Cl ZINC000826502631 608423501 /nfs/dbraw/zinc/42/35/01/608423501.db2.gz HJLKUIWQRUQNNF-SNVBAGLBSA-N -1 1 352.185 2.109 20 0 FEADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1c(Cl)cccc1Cl ZINC000826502631 608423503 /nfs/dbraw/zinc/42/35/03/608423503.db2.gz HJLKUIWQRUQNNF-SNVBAGLBSA-N -1 1 352.185 2.109 20 0 FEADMM c1ccc(CCN(Cc2cccnc2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521525 608434906 /nfs/dbraw/zinc/43/49/06/608434906.db2.gz QDTBKNNCTXCGAP-UHFFFAOYSA-N -1 1 358.409 2.301 20 0 FEADMM c1ccc(CCN(Cc2cccnc2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521525 608434908 /nfs/dbraw/zinc/43/49/08/608434908.db2.gz QDTBKNNCTXCGAP-UHFFFAOYSA-N -1 1 358.409 2.301 20 0 FEADMM CCc1cc(N2CCC(Nc3nc(-c4nn[n-]n4)ccc3C)CC2)ncn1 ZINC000825700489 608545502 /nfs/dbraw/zinc/54/55/02/608545502.db2.gz HSFVJJKCTRJPIS-UHFFFAOYSA-N -1 1 365.445 2.003 20 0 FEADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1Cc1cccs1 ZINC000826257077 608892873 /nfs/dbraw/zinc/89/28/73/608892873.db2.gz MRYUGVOOPOZPCX-UHFFFAOYSA-N -1 1 367.438 2.474 20 0 FEADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1Cc1cccs1 ZINC000826257077 608892874 /nfs/dbraw/zinc/89/28/74/608892874.db2.gz MRYUGVOOPOZPCX-UHFFFAOYSA-N -1 1 367.438 2.474 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000826229406 609296717 /nfs/dbraw/zinc/29/67/17/609296717.db2.gz CSRNJDKFTSKTJW-UHFFFAOYSA-N -1 1 364.337 2.220 20 0 FEADMM O=C(NCc1ccoc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443222 609364094 /nfs/dbraw/zinc/36/40/94/609364094.db2.gz GUVHOVHGGRVHEA-UHFFFAOYSA-N -1 1 368.332 2.106 20 0 FEADMM C[C@H]1CC[C@]2(CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC000824918399 609401295 /nfs/dbraw/zinc/40/12/95/609401295.db2.gz PVNLZJMHIVDHPL-ZBEGNZNMSA-N -1 1 365.434 2.207 20 0 FEADMM Cc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826290417 609608530 /nfs/dbraw/zinc/60/85/30/609608530.db2.gz LWUBAMDEBPDURS-UHFFFAOYSA-N -1 1 354.439 2.199 20 0 FEADMM Cc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826290417 609608533 /nfs/dbraw/zinc/60/85/33/609608533.db2.gz LWUBAMDEBPDURS-UHFFFAOYSA-N -1 1 354.439 2.199 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1noc(C)n1 ZINC000811094597 674578432 /nfs/dbraw/zinc/57/84/32/674578432.db2.gz MBJCLBVELMCJOZ-JTQLQIEISA-N -1 1 353.400 2.448 20 0 FEADMM C[C@H]1CCN(C(=O)NOC/C=C\Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000811982273 674644897 /nfs/dbraw/zinc/64/48/97/674644897.db2.gz QZGJAIZKJLLSKM-DXKPLDBASA-N -1 1 357.760 2.158 20 0 FEADMM O=C(NC[C@@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1)C(F)(F)F ZINC000812279312 674661553 /nfs/dbraw/zinc/66/15/53/674661553.db2.gz OYYDMOAGDNMPJU-QMMMGPOBSA-N -1 1 366.286 2.201 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1C ZINC000562232942 674731227 /nfs/dbraw/zinc/73/12/27/674731227.db2.gz CIOLTXZCEKRKCP-UHFFFAOYSA-N -1 1 367.354 2.450 20 0 FEADMM CCOc1cc(C(=O)N2CC(OC(=O)NC(C)C)C2)cc(Cl)c1[O-] ZINC000813639045 674763954 /nfs/dbraw/zinc/76/39/54/674763954.db2.gz DVTRIMYMEIWZBO-UHFFFAOYSA-N -1 1 356.806 2.403 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)C1CCCCC1 ZINC000562723703 674795338 /nfs/dbraw/zinc/79/53/38/674795338.db2.gz BUQBKSSHVJVAKC-IRXDYDNUSA-N -1 1 369.483 2.415 20 0 FEADMM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1ccc(Br)o1 ZINC000562906280 674821097 /nfs/dbraw/zinc/82/10/97/674821097.db2.gz CMTDSNGJTDMYHB-SNVBAGLBSA-N -1 1 358.213 2.324 20 0 FEADMM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(Cl)cc1-n1cncn1 ZINC000563276749 674868103 /nfs/dbraw/zinc/86/81/03/674868103.db2.gz ASWDCSHGRUJOAE-CYBMUJFWSA-N -1 1 352.847 2.313 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000564243722 674987692 /nfs/dbraw/zinc/98/76/92/674987692.db2.gz ASXJWJCIDJNVMR-LLVKDONJSA-N -1 1 366.405 2.421 20 0 FEADMM CN(C(=O)c1ccc(I)c([O-])c1)c1nccn1C ZINC000816346104 675049049 /nfs/dbraw/zinc/04/90/49/675049049.db2.gz JESHMFGAIKLJNY-UHFFFAOYSA-N -1 1 357.151 2.007 20 0 FEADMM C[Si](C)(C)c1ccc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000816498360 675060292 /nfs/dbraw/zinc/06/02/92/675060292.db2.gz RJYOXKGIXMWPEK-AWEZNQCLSA-N -1 1 359.502 2.269 20 0 FEADMM CCC(Nc1ccc(C)cc1Br)=C1C(=O)[N-]C(=S)NC1=O ZINC000009952656 669985196 /nfs/dbraw/zinc/98/51/96/669985196.db2.gz BGPRFQNHEZCFSD-UHFFFAOYSA-N -1 1 368.256 2.364 20 0 FEADMM CCCc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000022410743 670040539 /nfs/dbraw/zinc/04/05/39/670040539.db2.gz IKWKIKGLHHKNKI-UHFFFAOYSA-N -1 1 354.453 2.087 20 0 FEADMM Cn1nc(Br)cc1NC(=O)c1[n-]cnc1C(=O)c1ccccc1 ZINC000816710822 675074580 /nfs/dbraw/zinc/07/45/80/675074580.db2.gz HMZJUERXSICLOU-UHFFFAOYSA-N -1 1 374.198 2.389 20 0 FEADMM CCCOc1ccc(S(=O)(=O)N[N-]C(=O)c2ccccc2F)cc1 ZINC000029046650 670095043 /nfs/dbraw/zinc/09/50/43/670095043.db2.gz GFBOYEHXOYIWAN-UHFFFAOYSA-N -1 1 352.387 2.238 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000029817574 670104286 /nfs/dbraw/zinc/10/42/86/670104286.db2.gz CQEXVAKJXIKEBJ-LBPRGKRZSA-N -1 1 364.423 2.473 20 0 FEADMM COc1cc(NC(=O)c2cc(C3CC3)on2)ccc1[N-]S(C)(=O)=O ZINC000033070307 670133971 /nfs/dbraw/zinc/13/39/71/670133971.db2.gz MOOVNDJNUPDVHP-UHFFFAOYSA-N -1 1 351.384 2.184 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000042776450 670168518 /nfs/dbraw/zinc/16/85/18/670168518.db2.gz LASUKGRZHFAOQY-GHMZBOCLSA-N -1 1 374.484 2.066 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccc(F)cc1 ZINC000042776285 670168569 /nfs/dbraw/zinc/16/85/69/670168569.db2.gz YUQDDSFRRQSJCL-UHFFFAOYSA-N -1 1 357.384 2.298 20 0 FEADMM O=S(=O)([N-]N=c1nccc[nH]1)c1ccc(Br)cc1Cl ZINC000044668120 670193778 /nfs/dbraw/zinc/19/37/78/670193778.db2.gz LRZREJFFNWLGSD-UHFFFAOYSA-N -1 1 363.624 2.198 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@H](C)c2cccc(OC(F)F)c2)n1 ZINC000046609179 670227395 /nfs/dbraw/zinc/22/73/95/670227395.db2.gz KQIQQOBGASSVQA-SECBINFHSA-N -1 1 353.329 2.474 20 0 FEADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)c1 ZINC000047313108 670239513 /nfs/dbraw/zinc/23/95/13/670239513.db2.gz RYXQNFUNVFGKLQ-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(CCCl)cc1 ZINC000048401778 670261548 /nfs/dbraw/zinc/26/15/48/670261548.db2.gz MGXNVXNFRLZOIC-UHFFFAOYSA-N -1 1 363.830 2.244 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)NC(C)(C)C ZINC000052171058 670309458 /nfs/dbraw/zinc/30/94/58/670309458.db2.gz NMAPNRKDKXJZHE-GFCCVEGCSA-N -1 1 370.471 2.298 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCCCC1=O ZINC000565120212 675096058 /nfs/dbraw/zinc/09/60/58/675096058.db2.gz CMAHRRYQZIJRTM-JTQLQIEISA-N -1 1 355.232 2.286 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1 ZINC000055597901 670352634 /nfs/dbraw/zinc/35/26/34/670352634.db2.gz XRTSPHQXGPTONU-UHFFFAOYSA-N -1 1 359.407 2.220 20 0 FEADMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)c1 ZINC000055609600 670352892 /nfs/dbraw/zinc/35/28/92/670352892.db2.gz WOIGSUXJICBOFF-UHFFFAOYSA-N -1 1 357.391 2.311 20 0 FEADMM CCOC(=O)N1CCN(Cn2c(Cc3cccs3)n[n-]c2=S)CC1 ZINC000058204746 670376066 /nfs/dbraw/zinc/37/60/66/670376066.db2.gz LOPWMNIPFXRFPA-UHFFFAOYSA-N -1 1 367.500 2.325 20 0 FEADMM O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Br)cc1[O-] ZINC000060168714 670384382 /nfs/dbraw/zinc/38/43/82/670384382.db2.gz XQLQXFOUZFVNRZ-UHFFFAOYSA-N -1 1 367.174 2.298 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)NCCC(C)C ZINC000062294528 670399966 /nfs/dbraw/zinc/39/99/66/670399966.db2.gz OLBDVAOOLZXFSZ-CYBMUJFWSA-N -1 1 370.471 2.156 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1noc(C2CC2)n1 ZINC000062294179 670400055 /nfs/dbraw/zinc/40/00/55/670400055.db2.gz HLHDZMZVVKZKML-UHFFFAOYSA-N -1 1 351.384 2.066 20 0 FEADMM CC(C)NC(=O)N[N-]C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000063270042 670406333 /nfs/dbraw/zinc/40/63/33/670406333.db2.gz UPOQNNLSJJFPAB-UHFFFAOYSA-N -1 1 366.219 2.192 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1Cl ZINC000066106192 670438166 /nfs/dbraw/zinc/43/81/66/670438166.db2.gz ODBLXUFJSPYBAA-UHFFFAOYSA-N -1 1 374.919 2.320 20 0 FEADMM CCn1c(CNC(=O)c2cc(Cl)c3c(c2)OCCO3)n[n-]c1=S ZINC000066637053 670445403 /nfs/dbraw/zinc/44/54/03/670445403.db2.gz MFMXPGVWPFKJJP-UHFFFAOYSA-N -1 1 354.819 2.315 20 0 FEADMM CC(C)n1c(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)n[n-]c1=S ZINC000066640498 670446173 /nfs/dbraw/zinc/44/61/73/670446173.db2.gz KPVDKZMNPWAUJG-UHFFFAOYSA-N -1 1 357.480 2.441 20 0 FEADMM COC(=O)COc1cccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000066639950 670446295 /nfs/dbraw/zinc/44/62/95/670446295.db2.gz FBRLXFMUIWQOHH-UHFFFAOYSA-N -1 1 364.427 2.003 20 0 FEADMM CCOc1ccc(SCC(=O)NCCc2n[n-]c(=S)n2C)cc1 ZINC000067070114 670452445 /nfs/dbraw/zinc/45/24/45/670452445.db2.gz PIMHWRVHEAFREK-UHFFFAOYSA-N -1 1 352.485 2.327 20 0 FEADMM CC(C)n1c(CCNC(=O)c2ccc(-n3cccn3)nc2)n[n-]c1=S ZINC000067073780 670452523 /nfs/dbraw/zinc/45/25/23/670452523.db2.gz GQEMPHMHEINGRJ-UHFFFAOYSA-N -1 1 357.443 2.075 20 0 FEADMM CCn1c(CCNC(=O)c2ccc(-n3cc(C)cn3)cc2)n[n-]c1=S ZINC000067076614 670452869 /nfs/dbraw/zinc/45/28/69/670452869.db2.gz VLRLRKJXSVAESH-UHFFFAOYSA-N -1 1 356.455 2.427 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000565271491 675107437 /nfs/dbraw/zinc/10/74/37/675107437.db2.gz IDVGEEVFXJWMJL-QMMMGPOBSA-N -1 1 363.361 2.494 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000073997505 670512187 /nfs/dbraw/zinc/51/21/87/670512187.db2.gz XCSHWWPYMIVZLA-UHFFFAOYSA-N -1 1 355.807 2.495 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1 ZINC000077687757 670571328 /nfs/dbraw/zinc/57/13/28/670571328.db2.gz KEEVNKKOCZKJAP-UHFFFAOYSA-N -1 1 368.480 2.347 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1CC[C@@H]1CCOC1=O)C(F)(F)F ZINC000817293201 675118521 /nfs/dbraw/zinc/11/85/21/675118521.db2.gz KUIDPLIVQZBGJO-YPMHNXCESA-N -1 1 356.344 2.049 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCc3cnn(C(C)C)c3C2)sc1C ZINC000569900205 670630136 /nfs/dbraw/zinc/63/01/36/670630136.db2.gz BRBVVSPHMFVBPR-ZDUSSCGKSA-N -1 1 354.501 2.373 20 0 FEADMM CS[C@@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000080851317 670632894 /nfs/dbraw/zinc/63/28/94/670632894.db2.gz CBRONBFAAKTQBI-GHMZBOCLSA-N -1 1 360.501 2.370 20 0 FEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000081992866 670651566 /nfs/dbraw/zinc/65/15/66/670651566.db2.gz CPQCKUBLDNIOFF-ABAIWWIYSA-N -1 1 354.435 2.273 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2c(C)nn(-c3ccccc3)c2Cl)n[n-]1 ZINC000086170728 670683721 /nfs/dbraw/zinc/68/37/21/670683721.db2.gz AVNPYFSESJGUMO-UHFFFAOYSA-N -1 1 365.846 2.489 20 0 FEADMM COCCSc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)onc2N)cc1 ZINC000570367161 670703098 /nfs/dbraw/zinc/70/30/98/670703098.db2.gz CUUZNGUTBQCWHE-JTQLQIEISA-N -1 1 371.484 2.343 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@@](C)(CO)Cc2ccccc2)sc1C ZINC000570747568 670762879 /nfs/dbraw/zinc/76/28/79/670762879.db2.gz ONVMDZZPZIUIBT-INIZCTEOSA-N -1 1 354.497 2.280 20 0 FEADMM C[C@]1(C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CCCO1 ZINC000817490036 675138328 /nfs/dbraw/zinc/13/83/28/675138328.db2.gz KZWDQIWXHIWRAV-BLLLJJGKSA-N -1 1 356.344 2.192 20 0 FEADMM CCO[C@@H](CC)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817491716 675138647 /nfs/dbraw/zinc/13/86/47/675138647.db2.gz DANXHAUQGSAZLG-JSGCOSHPSA-N -1 1 358.360 2.438 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1C(N)=O ZINC000103425811 670782535 /nfs/dbraw/zinc/78/25/35/670782535.db2.gz URCQPDYFKNPCIK-UHFFFAOYSA-N -1 1 358.375 2.001 20 0 FEADMM O=C([O-])CCCCCN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000565662454 675141341 /nfs/dbraw/zinc/14/13/41/675141341.db2.gz AVBWLVHBOLEGEF-OAHLLOKOSA-N -1 1 372.462 2.213 20 0 FEADMM CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc([O-])c(Cl)c3)ccc21 ZINC000111668344 670860852 /nfs/dbraw/zinc/86/08/52/670860852.db2.gz ULADHSLNOZNHOP-UHFFFAOYSA-N -1 1 359.769 2.321 20 0 FEADMM O=C(C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000817561474 675147229 /nfs/dbraw/zinc/14/72/29/675147229.db2.gz WYSJMBAWENKJSK-UHFFFAOYSA-N -1 1 367.179 2.060 20 0 FEADMM CC(C)Cn1c([O-])c(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)[nH]c1=O ZINC000817571124 675148283 /nfs/dbraw/zinc/14/82/83/675148283.db2.gz NMBQNKTXXGKYSH-NSHDSACASA-N -1 1 372.208 2.283 20 0 FEADMM O=S(=O)([N-]CCOc1cccnc1)c1sccc1Br ZINC000114497940 670891160 /nfs/dbraw/zinc/89/11/60/670891160.db2.gz GZBYCCKUQRTDCH-UHFFFAOYSA-N -1 1 363.258 2.263 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NCC(=O)c1ccccc1 ZINC000572565246 671017254 /nfs/dbraw/zinc/01/72/54/671017254.db2.gz 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CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000574613642 671260239 /nfs/dbraw/zinc/26/02/39/671260239.db2.gz PDPDGFLAWSPOSR-UHFFFAOYSA-N -1 1 363.317 2.406 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1nc(-c2ccccc2F)cs1 ZINC000575028063 671293549 /nfs/dbraw/zinc/29/35/49/671293549.db2.gz QCHBJGMCXMIZQD-UHFFFAOYSA-N -1 1 368.415 2.306 20 0 FEADMM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@@H]1CN2CCC1CC2 ZINC000575747103 671317908 /nfs/dbraw/zinc/31/79/08/671317908.db2.gz VMNWVEVVCAKZJF-OAHLLOKOSA-N -1 1 360.845 2.398 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC000575926003 671331278 /nfs/dbraw/zinc/33/12/78/671331278.db2.gz HWWPQYGRANYGPP-ICCXJUOJSA-N -1 1 350.415 2.032 20 0 FEADMM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000576390658 671365350 /nfs/dbraw/zinc/36/53/50/671365350.db2.gz IAUYWEIEQAICOR-UWVGGRQHSA-N -1 1 365.282 2.386 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)CSCc3cccc(Cl)c3)nc2n1 ZINC000608800614 675904332 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Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000579861216 671766658 /nfs/dbraw/zinc/76/66/58/671766658.db2.gz HYMGYLSKSISXIB-UHFFFAOYSA-N -1 1 370.833 2.496 20 0 FEADMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1ccccc1Cn1ccnc1 ZINC000580138126 671785066 /nfs/dbraw/zinc/78/50/66/671785066.db2.gz DJFADUBNPKPWBS-UHFFFAOYSA-N -1 1 371.344 2.474 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(CN3CCSCC3)cc2)C[C@H]1C(=O)[O-] ZINC000580311865 671797160 /nfs/dbraw/zinc/79/71/60/671797160.db2.gz VKNFIVGIBUELIU-RHSMWYFYSA-N -1 1 362.495 2.418 20 0 FEADMM O=C([O-])C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1F)C(F)(F)F ZINC000581136001 671866874 /nfs/dbraw/zinc/86/68/74/671866874.db2.gz UAUQLQWPBSWBRA-ZCFIWIBFSA-N -1 1 363.716 2.411 20 0 FEADMM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000581488340 671902673 /nfs/dbraw/zinc/90/26/73/671902673.db2.gz CZQVWINQXWLJKL-UWVGGRQHSA-N -1 1 356.325 2.132 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)o1 ZINC000125245047 672009331 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ZINC000185841376 672535742 /nfs/dbraw/zinc/53/57/42/672535742.db2.gz NNDQJBJESXIICU-VOTSOKGWSA-N -1 1 357.233 2.299 20 0 FEADMM COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000611282628 676029847 /nfs/dbraw/zinc/02/98/47/676029847.db2.gz JOEWLFWTJJBBPV-GFCCVEGCSA-N -1 1 374.231 2.193 20 0 FEADMM Cn1nccc1CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188181391 672585310 /nfs/dbraw/zinc/58/53/10/672585310.db2.gz HSFNYMPVCJJVHG-UHFFFAOYSA-N -1 1 352.218 2.387 20 0 FEADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188286062 672587607 /nfs/dbraw/zinc/58/76/07/672587607.db2.gz CPXPAWYODGYWED-ZDUSSCGKSA-N -1 1 357.439 2.184 20 0 FEADMM N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cc1[O-] ZINC000188418761 672590175 /nfs/dbraw/zinc/59/01/75/672590175.db2.gz PQSGXHQSMYIXGK-UHFFFAOYSA-N -1 1 356.813 2.270 20 0 FEADMM CCOC(=O)c1c(C)[nH]nc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000590605751 672596127 /nfs/dbraw/zinc/59/61/27/672596127.db2.gz NDVFTPRZXOZPHQ-UHFFFAOYSA-N -1 1 361.427 2.237 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@H](C)c3cccc(OC)c3)no2)co1 ZINC000680727076 672599572 /nfs/dbraw/zinc/59/95/72/672599572.db2.gz ADFPHYFKXORYPV-SNVBAGLBSA-N -1 1 363.395 2.398 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c(F)c1 ZINC000681016956 672621707 /nfs/dbraw/zinc/62/17/07/672621707.db2.gz QJUXXVOTQXVKAP-JKSUJKDBSA-N -1 1 361.410 2.457 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc3ccc(NC(C)=O)cc3s2)on1 ZINC000611486482 676039924 /nfs/dbraw/zinc/03/99/24/676039924.db2.gz YSNYJMYPJUGACP-UHFFFAOYSA-N -1 1 360.351 2.282 20 0 FEADMM O=C([N-]NC(=O)c1c[nH]nc1C1CC1)c1cc(F)ccc1Br ZINC000190294530 672635678 /nfs/dbraw/zinc/63/56/78/672635678.db2.gz AJPDYJSKDSGQJT-UHFFFAOYSA-N -1 1 367.178 2.264 20 0 FEADMM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1ccc(Cl)nc1Cl ZINC000190489613 672642020 /nfs/dbraw/zinc/64/20/20/672642020.db2.gz YIMBAIJWBRWYDH-LLVKDONJSA-N -1 1 361.250 2.270 20 0 FEADMM NC(=O)CCNC(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191426326 672666389 /nfs/dbraw/zinc/66/63/89/672666389.db2.gz VMLYUDXYRZTXJD-UHFFFAOYSA-N -1 1 365.792 2.402 20 0 FEADMM CCOC(=O)c1sc([N-]C(=O)c2cc(C(=O)OC)no2)nc1C(C)C ZINC000611590204 676046824 /nfs/dbraw/zinc/04/68/24/676046824.db2.gz OANZEJOMICVPRC-UHFFFAOYSA-N -1 1 367.383 2.470 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](c1ccc(C)cc1)C1CC1 ZINC000591587897 672692299 /nfs/dbraw/zinc/69/22/99/672692299.db2.gz ZHTJMUBXKGDYOG-OAHLLOKOSA-N -1 1 363.439 2.324 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn([C@@H](C)c2ccccc2)c1 ZINC000592353886 672790874 /nfs/dbraw/zinc/79/08/74/672790874.db2.gz OBFSNUWJTMNJQJ-ZDUSSCGKSA-N -1 1 365.455 2.433 20 0 FEADMM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2snnc2C(C)(C)C)n1 ZINC000592655379 672822810 /nfs/dbraw/zinc/82/28/10/672822810.db2.gz YMRRYXVEFAILJQ-UHFFFAOYSA-N -1 1 366.447 2.021 20 0 FEADMM CCC[C@H](NC(=O)c1ccn2cc(C(F)(F)F)nc2c1)c1nn[n-]n1 ZINC000612059821 676066735 /nfs/dbraw/zinc/06/67/35/676066735.db2.gz FKEHPRBNCZHONB-VIFPVBQESA-N -1 1 353.308 2.137 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccc(Br)cc1F)c1nn[n-]n1 ZINC000612060499 676066774 /nfs/dbraw/zinc/06/67/74/676066774.db2.gz KTUWLZWQSMFNJC-NSHDSACASA-N -1 1 356.199 2.301 20 0 FEADMM CC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000684525793 672939050 /nfs/dbraw/zinc/93/90/50/672939050.db2.gz YDYREBHHAZFOAO-YVEFUNNKSA-N -1 1 355.818 2.464 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c1 ZINC000270215972 672948353 /nfs/dbraw/zinc/94/83/53/672948353.db2.gz FUWCJVHORFBGCW-VIFPVBQESA-N -1 1 357.409 2.068 20 0 FEADMM COCC1(CS(=O)(=O)[N-][C@@H](C(=O)OC)c2ccc(F)c(C)c2)CCC1 ZINC000593578960 672949896 /nfs/dbraw/zinc/94/98/96/672949896.db2.gz RFRBGTHFEZCHDW-OAHLLOKOSA-N -1 1 373.446 2.084 20 0 FEADMM C[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323512462 673043768 /nfs/dbraw/zinc/04/37/68/673043768.db2.gz ZCDAJBQJBCCMLN-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM O=S(=O)(CC(F)F)c1nnc(-c2ccccc2Br)[n-]1 ZINC000685900636 673053048 /nfs/dbraw/zinc/05/30/48/673053048.db2.gz JFKAMHNTEJYDQG-UHFFFAOYSA-N -1 1 352.160 2.273 20 0 FEADMM O=S(=O)(CC(F)F)c1n[n-]c(-c2ccccc2Br)n1 ZINC000685900636 673053051 /nfs/dbraw/zinc/05/30/51/673053051.db2.gz JFKAMHNTEJYDQG-UHFFFAOYSA-N -1 1 352.160 2.273 20 0 FEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000326454213 673053411 /nfs/dbraw/zinc/05/34/11/673053411.db2.gz DZXTZQSFVDQJCF-XJKSGUPXSA-N -1 1 351.447 2.193 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCSC2)c1F ZINC000594454545 673074433 /nfs/dbraw/zinc/07/44/33/673074433.db2.gz GZVLBRADNHXPIK-QMMMGPOBSA-N -1 1 353.824 2.050 20 0 FEADMM COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000594729481 673125261 /nfs/dbraw/zinc/12/52/61/673125261.db2.gz KXWJYEOYFGDMEX-UHFFFAOYSA-N -1 1 357.819 2.110 20 0 FEADMM O=S(=O)([N-]C1(CCO)CC1)c1cc(Br)sc1Cl ZINC000431586581 673213705 /nfs/dbraw/zinc/21/37/05/673213705.db2.gz SBMUULVRJKYBCP-UHFFFAOYSA-N -1 1 360.682 2.357 20 0 FEADMM CCc1nc(S[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)[n-]c(=O)c1C ZINC000594903689 673177336 /nfs/dbraw/zinc/17/73/36/673177336.db2.gz NUDYZRLSSQDXRH-GFCCVEGCSA-N -1 1 367.471 2.088 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(C2SCCS2)c1 ZINC000727847800 673184396 /nfs/dbraw/zinc/18/43/96/673184396.db2.gz BVBZISCNVKFAJA-UHFFFAOYSA-N -1 1 363.464 2.044 20 0 FEADMM CCCOc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1Cl ZINC000727852390 673184555 /nfs/dbraw/zinc/18/45/55/673184555.db2.gz ULCGRFJXGHOTKS-UHFFFAOYSA-N -1 1 351.790 2.008 20 0 FEADMM CCc1cc2c(COC(=O)CCOCCOC)cc(=O)oc2cc1[O-] ZINC000728333201 673199047 /nfs/dbraw/zinc/19/90/47/673199047.db2.gz QBFZPQHHSFXHEQ-UHFFFAOYSA-N -1 1 350.367 2.157 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1C ZINC000595312168 673221639 /nfs/dbraw/zinc/22/16/39/673221639.db2.gz MNESBHYXIVGRGE-WFASDCNBSA-N -1 1 373.471 2.494 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C(C)(C)c2ncc(C)s2)cc1C ZINC000595316960 673222657 /nfs/dbraw/zinc/22/26/57/673222657.db2.gz CKJLHJKVTOPKTA-UHFFFAOYSA-N -1 1 358.441 2.353 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C(C)=O)c2ccccc2F)cc1C ZINC000595335889 673227022 /nfs/dbraw/zinc/22/70/22/673227022.db2.gz DNURKWACLLUXBQ-AWEZNQCLSA-N -1 1 369.370 2.122 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2noc3ccccc32)cc1C ZINC000595341289 673227833 /nfs/dbraw/zinc/22/78/33/673227833.db2.gz GXKGHPLXFVDCEX-UHFFFAOYSA-N -1 1 364.379 2.037 20 0 FEADMM CCSC1(C[N-]S(=O)(=O)c2ncccc2Br)CC1 ZINC000595351874 673230470 /nfs/dbraw/zinc/23/04/70/673230470.db2.gz XLCIKMJMOYCTAK-UHFFFAOYSA-N -1 1 351.291 2.408 20 0 FEADMM Cn1ncc2c1nc(COC(=O)c1ccc(Cl)c(Cl)c1[O-])[nH]c2=O ZINC000730359750 673277556 /nfs/dbraw/zinc/27/75/56/673277556.db2.gz NOQNYAGWNDUDQU-UHFFFAOYSA-N -1 1 369.164 2.438 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2C)o1 ZINC000462716451 673278610 /nfs/dbraw/zinc/27/86/10/673278610.db2.gz QUGYAVPASDUXLG-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2n[nH]c3cc(F)ccc32)c1 ZINC000476786696 673315362 /nfs/dbraw/zinc/31/53/62/673315362.db2.gz HVLCKAWVIBERSG-UHFFFAOYSA-N -1 1 362.386 2.056 20 0 FEADMM O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088675 673353404 /nfs/dbraw/zinc/35/34/04/673353404.db2.gz FLWBNIIMVCUMQL-LLVKDONJSA-N -1 1 367.196 2.202 20 0 FEADMM COc1ccc(NC(=O)c2cnn(C(C)C)c2C)cc1[N-]S(C)(=O)=O ZINC000536146428 673362562 /nfs/dbraw/zinc/36/25/62/673362562.db2.gz RAVWOHKLFQXFSD-UHFFFAOYSA-N -1 1 366.443 2.405 20 0 FEADMM CCc1nnc([C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000732327089 673363885 /nfs/dbraw/zinc/36/38/85/673363885.db2.gz DODNOKHMMBPVTD-SECBINFHSA-N -1 1 371.415 2.220 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536739218 673379164 /nfs/dbraw/zinc/37/91/64/673379164.db2.gz XRNRNDPROTWVLU-SECBINFHSA-N -1 1 370.814 2.099 20 0 FEADMM CCCOc1ccc(Cl)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000733134017 673399585 /nfs/dbraw/zinc/39/95/85/673399585.db2.gz PZOXXSRHVKGENH-UHFFFAOYSA-N -1 1 351.790 2.008 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000537850629 673411195 /nfs/dbraw/zinc/41/11/95/673411195.db2.gz XPLJVAGDAZLGBX-UHFFFAOYSA-N -1 1 364.423 2.471 20 0 FEADMM CCCCCOc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1 ZINC000538094103 673421532 /nfs/dbraw/zinc/42/15/32/673421532.db2.gz PVXLRXGOOOUYBR-UHFFFAOYSA-N -1 1 367.427 2.488 20 0 FEADMM CCc1ccc(NS(=O)(=O)c2cc(OC)ccc2O)c(C(=O)[O-])c1 ZINC000538298664 673432689 /nfs/dbraw/zinc/43/26/89/673432689.db2.gz OVOHMVXRLNFIMD-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)o1 ZINC000734153580 673454354 /nfs/dbraw/zinc/45/43/54/673454354.db2.gz JRCHHZFBQGKOCC-UHFFFAOYSA-N -1 1 365.194 2.247 20 0 FEADMM Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc12 ZINC000538757105 673456565 /nfs/dbraw/zinc/45/65/65/673456565.db2.gz SGMGHBVZNLAIQZ-UHFFFAOYSA-N -1 1 361.379 2.136 20 0 FEADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1S(=O)(=O)N(C)C ZINC000538775852 673457481 /nfs/dbraw/zinc/45/74/81/673457481.db2.gz MSKYKCQAHDWUER-UHFFFAOYSA-N -1 1 370.377 2.481 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)s1 ZINC000539117820 673475063 /nfs/dbraw/zinc/47/50/63/673475063.db2.gz VPGUFUSXOYJMRH-UHFFFAOYSA-N -1 1 364.445 2.368 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(-c2ccco2)[nH]n1 ZINC000539148822 673476363 /nfs/dbraw/zinc/47/63/63/673476363.db2.gz JNUSYIQXDPYKGG-UHFFFAOYSA-N -1 1 364.358 2.433 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cn1cc2ccccc2n1 ZINC000539151839 673476821 /nfs/dbraw/zinc/47/68/21/673476821.db2.gz KOPGDONBQFKSQW-UHFFFAOYSA-N -1 1 362.386 2.186 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NC2(CO)CCC2)nc1 ZINC000539196052 673478326 /nfs/dbraw/zinc/47/83/26/673478326.db2.gz NCRFKXQHBVSHEW-UHFFFAOYSA-N -1 1 369.393 2.488 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)Cc2ncc(C)s2)n[n-]1 ZINC000597578471 673489428 /nfs/dbraw/zinc/48/94/28/673489428.db2.gz DDVJFTIGZWZZQY-LLVKDONJSA-N -1 1 365.459 2.192 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)Cc2ncc(C)s2)[n-]1 ZINC000597578471 673489431 /nfs/dbraw/zinc/48/94/31/673489431.db2.gz DDVJFTIGZWZZQY-LLVKDONJSA-N -1 1 365.459 2.192 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)Cc2ncc(C)s2)n1 ZINC000597578471 673489433 /nfs/dbraw/zinc/48/94/33/673489433.db2.gz DDVJFTIGZWZZQY-LLVKDONJSA-N -1 1 365.459 2.192 20 0 FEADMM Cc1nc(SCc2ccc(S(=O)(=O)N(C)C)cc2)[n-]c(=O)c1C ZINC000539616145 673498668 /nfs/dbraw/zinc/49/86/68/673498668.db2.gz LQLZQFYVAIMTJI-UHFFFAOYSA-N -1 1 353.469 2.342 20 0 FEADMM Cc1nonc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000735848487 673504868 /nfs/dbraw/zinc/50/48/68/673504868.db2.gz OAFWIDVSKUNTMD-UHFFFAOYSA-N -1 1 358.379 2.431 20 0 FEADMM O=C(NCCC1CSC1)c1ccc(I)c([O-])c1 ZINC000597790214 673507363 /nfs/dbraw/zinc/50/73/63/673507363.db2.gz URMGPTDCFNZPJN-UHFFFAOYSA-N -1 1 363.220 2.480 20 0 FEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736172625 673514104 /nfs/dbraw/zinc/51/41/04/673514104.db2.gz AZOQQCWPOGIREH-VIFPVBQESA-N -1 1 353.785 2.166 20 0 FEADMM O=C(NC1(c2nnc[nH]2)CCC1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613852692 676151381 /nfs/dbraw/zinc/15/13/81/676151381.db2.gz KITINQYSUWJOQS-UHFFFAOYSA-N -1 1 358.789 2.159 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CO)c2sccc2C)c(=O)[n-]1 ZINC000539978146 673517072 /nfs/dbraw/zinc/51/70/72/673517072.db2.gz DDCUIBFRSRDIIP-GFCCVEGCSA-N -1 1 367.496 2.365 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc2ccccc2o1)c1cccs1 ZINC000540214277 673528936 /nfs/dbraw/zinc/52/89/36/673528936.db2.gz WNUJTVJUCTXPGL-UHFFFAOYSA-N -1 1 350.421 2.203 20 0 FEADMM O=S(=O)(Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1c[n-]cn1 ZINC000736631013 673534880 /nfs/dbraw/zinc/53/48/80/673534880.db2.gz BYCYCAGUKIQVBL-GFCCVEGCSA-N -1 1 362.367 2.079 20 0 FEADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(I)c([O-])c1 ZINC000598301132 673557734 /nfs/dbraw/zinc/55/77/34/673557734.db2.gz AWNDQHOBAKHTFN-VXGBXAGGSA-N -1 1 373.190 2.030 20 0 FEADMM CCSC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000598332762 673560452 /nfs/dbraw/zinc/56/04/52/673560452.db2.gz MOPQGVKIAYKJCI-UHFFFAOYSA-N -1 1 360.501 2.372 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)NC(C)C)c1ccc(Cl)cc1Cl ZINC000542240144 673569130 /nfs/dbraw/zinc/56/91/30/673569130.db2.gz LAFSVTMSXSKZHU-LLVKDONJSA-N -1 1 355.243 2.040 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598499005 673576500 /nfs/dbraw/zinc/57/65/00/673576500.db2.gz RPYKIUIVLIUOOU-UHFFFAOYSA-N -1 1 367.471 2.454 20 0 FEADMM C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)c1c(Cl)cccc1Cl ZINC000542773112 673604280 /nfs/dbraw/zinc/60/42/80/673604280.db2.gz QTAGZTBGELGPQV-MRVPVSSYSA-N -1 1 366.208 2.258 20 0 FEADMM CCc1c(C)[n-]n(-c2ccc(S(=O)(=O)NC3CCCC3)cn2)c1=O ZINC000614186747 676163516 /nfs/dbraw/zinc/16/35/16/676163516.db2.gz KNHWFIQVZOYWBB-CQSZACIVSA-N -1 1 350.444 2.051 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cncc(OC(C)C)c1)c1ccccc1 ZINC000599228415 673644443 /nfs/dbraw/zinc/64/44/43/673644443.db2.gz CHBWZOBQSHEOOJ-MRXNPFEDSA-N -1 1 364.423 2.061 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)c1F ZINC000599253029 673649128 /nfs/dbraw/zinc/64/91/28/673649128.db2.gz ZHOOOMKGVQDPGO-JTQLQIEISA-N -1 1 370.377 2.228 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c1F ZINC000599259774 673649811 /nfs/dbraw/zinc/64/98/11/673649811.db2.gz WJDIBZAHXASKMX-CQSZACIVSA-N -1 1 365.423 2.315 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c1F ZINC000599306379 673656171 /nfs/dbraw/zinc/65/61/71/673656171.db2.gz GQWONWGAMBAEKZ-SECBINFHSA-N -1 1 365.423 2.173 20 0 FEADMM CC(C)OC(=O)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740925128 673661358 /nfs/dbraw/zinc/66/13/58/673661358.db2.gz IFNOENPOKRRJMY-UHFFFAOYSA-N -1 1 352.387 2.421 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC)CCc1ccccc1 ZINC000599395489 673669071 /nfs/dbraw/zinc/66/90/71/673669071.db2.gz DUARWFSWSIQLDK-CQSZACIVSA-N -1 1 365.455 2.276 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCCC(C)(C)C1)C1CC1 ZINC000599406638 673671133 /nfs/dbraw/zinc/67/11/33/673671133.db2.gz IJALVNOJCUCYEI-PBHICJAKSA-N -1 1 361.504 2.233 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCCCS1 ZINC000544272236 673701875 /nfs/dbraw/zinc/70/18/75/673701875.db2.gz CZCIHICQSNSFIW-CQSZACIVSA-N -1 1 358.467 2.085 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)c1ccccc1)c1ccc(Br)o1 ZINC000544714225 673728528 /nfs/dbraw/zinc/72/85/28/673728528.db2.gz ZJEHTDVDNIFVCQ-LLVKDONJSA-N -1 1 360.229 2.097 20 0 FEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1)c1ccc(Br)o1 ZINC000544720472 673728729 /nfs/dbraw/zinc/72/87/29/673728729.db2.gz RDOYCUUAQOEWLL-LBPRGKRZSA-N -1 1 374.256 2.172 20 0 FEADMM O=C(Nc1cnccc1CO)c1ccc(I)c([O-])c1 ZINC000544879074 673738407 /nfs/dbraw/zinc/73/84/07/673738407.db2.gz OSYGFSLWNAXLNY-UHFFFAOYSA-N -1 1 370.146 2.136 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000544941331 673740985 /nfs/dbraw/zinc/74/09/85/673740985.db2.gz WRLOUOGVNZZXDJ-MLGOLLRUSA-N -1 1 366.483 2.269 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc4c(n3)CCCC4)no2)o1 ZINC000545063596 673743924 /nfs/dbraw/zinc/74/39/24/673743924.db2.gz BVVHJWDKGIWNFO-UHFFFAOYSA-N -1 1 360.395 2.179 20 0 FEADMM CN(CC1(C)COC1)C(=O)c1ccc(I)c([O-])c1 ZINC000600304280 673756977 /nfs/dbraw/zinc/75/69/77/673756977.db2.gz IAONUHOGGDHTQE-UHFFFAOYSA-N -1 1 361.179 2.105 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000743750046 673771420 /nfs/dbraw/zinc/77/14/20/673771420.db2.gz UTDIWEACFVDRHB-UHFFFAOYSA-N -1 1 360.395 2.282 20 0 FEADMM CCOc1cc(C(=O)Nc2cnc(OC)c(C(N)=O)c2)cc(Cl)c1[O-] ZINC000545854519 673777740 /nfs/dbraw/zinc/77/77/40/673777740.db2.gz UUGXVQWOQUTZQR-UHFFFAOYSA-N -1 1 365.773 2.199 20 0 FEADMM COCCC(C)(C)CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000546128947 673793138 /nfs/dbraw/zinc/79/31/38/673793138.db2.gz HULOGRWPNHRWGC-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM Cc1ccccc1[C@@H](C)c1noc(C[N-]S(=O)(=O)CCOC(C)C)n1 ZINC000546548182 673802662 /nfs/dbraw/zinc/80/26/62/673802662.db2.gz 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ZINC000746055512 673862238 /nfs/dbraw/zinc/86/22/38/673862238.db2.gz PWTZLSUEJAGRMZ-UHFFFAOYSA-N -1 1 368.367 2.290 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC2([C@@H]3CCCCO3)CCC2)cc1C ZINC000601515793 673875261 /nfs/dbraw/zinc/87/52/61/673875261.db2.gz FDFMORZULMNJSS-ZDUSSCGKSA-N -1 1 371.455 2.392 20 0 FEADMM O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000547653891 673878603 /nfs/dbraw/zinc/87/86/03/673878603.db2.gz QIDKIZUETKQCQP-QMMMGPOBSA-N -1 1 363.834 2.325 20 0 FEADMM CSC1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000601693794 673894877 /nfs/dbraw/zinc/89/48/77/673894877.db2.gz VZWDYSLASBMOQQ-UHFFFAOYSA-N -1 1 358.467 2.037 20 0 FEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(N)cc1 ZINC000548264557 673945092 /nfs/dbraw/zinc/94/50/92/673945092.db2.gz MBAKOGBOECKKAG-UHFFFAOYSA-N -1 1 354.359 2.306 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c(OC)c1 ZINC000615475240 676216477 /nfs/dbraw/zinc/21/64/77/676216477.db2.gz MOMVKHSUJZPDIW-UHFFFAOYSA-N -1 1 370.814 2.061 20 0 FEADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1 ZINC000567409440 675291194 /nfs/dbraw/zinc/29/11/94/675291194.db2.gz BUKJTBIGIPKBBE-UHFFFAOYSA-N -1 1 361.379 2.087 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCNC(=O)OC(C)(C)C)c(F)c1 ZINC000819865319 675317728 /nfs/dbraw/zinc/31/77/28/675317728.db2.gz OZGBXAVRUAWFGC-UHFFFAOYSA-N -1 1 350.387 2.076 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(O)CCc3ccccc32)c(F)c1 ZINC000819877856 675318004 /nfs/dbraw/zinc/31/80/04/675318004.db2.gz FPXNUJOQAVRWNB-KRWDZBQOSA-N -1 1 353.390 2.386 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CO1 ZINC000567961034 675339406 /nfs/dbraw/zinc/33/94/06/675339406.db2.gz GPRQFNOXYMFFJW-XJKSGUPXSA-N -1 1 360.435 2.395 20 0 FEADMM CSc1n[nH]c([N-]S(=O)(=O)Cc2ccc(Br)cc2)n1 ZINC000568158575 675354292 /nfs/dbraw/zinc/35/42/92/675354292.db2.gz DDZVTPDHPJBEJM-UHFFFAOYSA-N -1 1 363.262 2.231 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c(Cl)c1 ZINC000568316468 675365671 /nfs/dbraw/zinc/36/56/71/675365671.db2.gz BOAAAPSHAZFMNS-UHFFFAOYSA-N -1 1 370.814 2.014 20 0 FEADMM Cn1cc(C(N)=O)cc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000568615293 675386337 /nfs/dbraw/zinc/38/63/37/675386337.db2.gz JXQKIECUIXSTHA-UHFFFAOYSA-N -1 1 372.606 2.498 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccccc1OC(F)(F)F ZINC000820781655 675387330 /nfs/dbraw/zinc/38/73/30/675387330.db2.gz DDFTUJTXPPUYAB-UHFFFAOYSA-N -1 1 372.390 2.181 20 0 FEADMM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)ccc1F ZINC000568698413 675392667 /nfs/dbraw/zinc/39/26/67/675392667.db2.gz KJMOLYULAMIUQJ-RHSMWYFYSA-N -1 1 353.390 2.409 20 0 FEADMM CCC[C@H](CC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000821344590 675428765 /nfs/dbraw/zinc/42/87/65/675428765.db2.gz XBPZNGHJKPAIFC-ZDUSSCGKSA-N -1 1 370.471 2.178 20 0 FEADMM CN(C(=O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000821570820 675441630 /nfs/dbraw/zinc/44/16/30/675441630.db2.gz MQIVZJFDKKQKTO-UHFFFAOYSA-N -1 1 355.855 2.180 20 0 FEADMM CN(C(=O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000821570820 675441632 /nfs/dbraw/zinc/44/16/32/675441632.db2.gz MQIVZJFDKKQKTO-UHFFFAOYSA-N -1 1 355.855 2.180 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F)C1CCCC1 ZINC000656912601 677864655 /nfs/dbraw/zinc/86/46/55/677864655.db2.gz DBTPFILHIUNRNG-CABCVRRESA-N -1 1 363.426 2.123 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000824345931 675596720 /nfs/dbraw/zinc/59/67/20/675596720.db2.gz OYQKIRGTUAFVKG-YXCITZCRSA-N -1 1 362.392 2.392 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824669181 675615808 /nfs/dbraw/zinc/61/58/08/675615808.db2.gz ANXTUICTYYRLSW-SCZZXKLOSA-N -1 1 350.835 2.381 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824669181 675615810 /nfs/dbraw/zinc/61/58/10/675615810.db2.gz ANXTUICTYYRLSW-SCZZXKLOSA-N -1 1 350.835 2.381 20 0 FEADMM CCn1ncc(C)c1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000825151372 675639025 /nfs/dbraw/zinc/63/90/25/675639025.db2.gz WPTAZLJEIJZSEE-UHFFFAOYSA-N -1 1 361.368 2.134 20 0 FEADMM Cc1onc(CC(=O)N2CCCSc3ccccc32)c1-c1nnn[n-]1 ZINC000826344491 675686341 /nfs/dbraw/zinc/68/63/41/675686341.db2.gz JUWINOZLXNJVMP-UHFFFAOYSA-N -1 1 356.411 2.235 20 0 FEADMM Cc1onc(CC(=O)N2CCCSc3ccccc32)c1-c1nn[n-]n1 ZINC000826344491 675686344 /nfs/dbraw/zinc/68/63/44/675686344.db2.gz JUWINOZLXNJVMP-UHFFFAOYSA-N -1 1 356.411 2.235 20 0 FEADMM O[C@@]1(Cc2cccc(Cl)c2)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826506225 675690029 /nfs/dbraw/zinc/69/00/29/675690029.db2.gz OZOKUFSNLYDKRX-QGZVFWFLSA-N -1 1 356.817 2.099 20 0 FEADMM O[C@@]1(Cc2cccc(Cl)c2)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826506225 675690035 /nfs/dbraw/zinc/69/00/35/675690035.db2.gz OZOKUFSNLYDKRX-QGZVFWFLSA-N -1 1 356.817 2.099 20 0 FEADMM O=C(c1cccc(SC(F)(F)F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826833225 675709374 /nfs/dbraw/zinc/70/93/74/675709374.db2.gz ABZNVSATURFJJV-SNVBAGLBSA-N -1 1 359.333 2.025 20 0 FEADMM 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O=C([N-]CC1CN(C(=O)NCc2nsc3ccccc32)C1)C(F)(F)F ZINC000890287366 688901082 /nfs/dbraw/zinc/90/10/82/688901082.db2.gz CFIXQVWDVNPOBH-UHFFFAOYSA-N -1 1 372.372 2.116 20 0 FEADMM Cc1cn(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)nc1C(F)(F)F ZINC000891612903 689083548 /nfs/dbraw/zinc/08/35/48/689083548.db2.gz DMSOLFFTBVRTDD-UHFFFAOYSA-N -1 1 355.320 2.223 20 0 FEADMM Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)C2 ZINC000892153078 689157343 /nfs/dbraw/zinc/15/73/43/689157343.db2.gz JKHOIPGRBSMCIE-CQSZACIVSA-N -1 1 354.288 2.242 20 0 FEADMM COCc1nc(N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000893712627 689391055 /nfs/dbraw/zinc/39/10/55/689391055.db2.gz XGFZVBVIIZNWHV-QGZVFWFLSA-N -1 1 352.435 2.070 20 0 FEADMM COCc1nc(N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc(=O)[n-]1 ZINC000895494830 689726988 /nfs/dbraw/zinc/72/69/88/689726988.db2.gz RKTROBBUJOBXFP-NSHDSACASA-N -1 1 352.435 2.068 20 0 FEADMM Cn1nccc1[C@H]1CN(C(=O)NCc2ccc([O-])c(Cl)c2)CCO1 ZINC000896310449 689853435 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ZINC000902154576 690741474 /nfs/dbraw/zinc/74/14/74/690741474.db2.gz VCOXIKYFPRSJAA-NSHDSACASA-N -1 1 352.412 2.079 20 0 FEADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cc4c(cc3Br)OCO4)C[C@@H]21 ZINC000902553225 690778729 /nfs/dbraw/zinc/77/87/29/690778729.db2.gz DGTLYKHZLMWRSX-ISTVAULSSA-N -1 1 354.200 2.330 20 0 FEADMM Cc1csc(C[C@H]2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)C2)n1 ZINC000902984833 690827192 /nfs/dbraw/zinc/82/71/92/690827192.db2.gz AXYZFEVUSNUQRO-GFCCVEGCSA-N -1 1 354.435 2.393 20 0 FEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1cnc(Br)cc1C ZINC000903094932 690843676 /nfs/dbraw/zinc/84/36/76/690843676.db2.gz QHGARPDTOSGACE-UHFFFAOYSA-N -1 1 370.294 2.317 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCN2CCC(C)(C)C2)c1C ZINC000903550340 690922247 /nfs/dbraw/zinc/92/22/47/690922247.db2.gz PJZCZADCEAZZKB-UHFFFAOYSA-N -1 1 354.472 2.012 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c1Br ZINC000903625252 690942340 /nfs/dbraw/zinc/94/23/40/690942340.db2.gz SMMXAZXAIJZBDO-UHFFFAOYSA-N -1 1 371.260 2.297 20 0 FEADMM CC(C)Oc1ccc(F)cc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000903629111 690943565 /nfs/dbraw/zinc/94/35/65/690943565.db2.gz PJKQEUAKNNKNGK-UHFFFAOYSA-N -1 1 364.402 2.069 20 0 FEADMM Cc1nn(C)c([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c1Br ZINC000903633915 690945151 /nfs/dbraw/zinc/94/51/51/690945151.db2.gz NQTAHIGBCOTMIY-UHFFFAOYSA-N -1 1 374.264 2.213 20 0 FEADMM O=C([O-])c1ccc(CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)s1 ZINC000903688419 690961420 /nfs/dbraw/zinc/96/14/20/690961420.db2.gz YHCGQZTXCRHFQJ-CHWSQXEVSA-N -1 1 368.455 2.316 20 0 FEADMM O=C([O-])[C@H]1CN(CCCCOc2ccc(Br)cc2)CCO1 ZINC000903693753 690963176 /nfs/dbraw/zinc/96/31/76/690963176.db2.gz OLWWJHTYKYEAIB-CQSZACIVSA-N -1 1 358.232 2.394 20 0 FEADMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]2C(=O)[O-] ZINC000903694912 690963633 /nfs/dbraw/zinc/96/36/33/690963633.db2.gz JMDOAYIBOPDURR-JKGQDXBKSA-N -1 1 353.802 2.131 20 0 FEADMM Cc1cc(Br)c(CN[C@H](CO)C(=O)[O-])cc1Br ZINC000904053030 690998704 /nfs/dbraw/zinc/99/87/04/690998704.db2.gz 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691330777 /nfs/dbraw/zinc/33/07/77/691330777.db2.gz OYIPEGPIJDHREP-OAHLLOKOSA-N -1 1 354.472 2.154 20 0 FEADMM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CC1 ZINC000906865944 691331525 /nfs/dbraw/zinc/33/15/25/691331525.db2.gz AMFLBGQUGUUWNI-SECBINFHSA-N -1 1 363.158 2.004 20 0 FEADMM CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000906931669 691347059 /nfs/dbraw/zinc/34/70/59/691347059.db2.gz MAEGJECUJKQLJZ-GFCCVEGCSA-N -1 1 360.863 2.189 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1C ZINC000907025958 691373606 /nfs/dbraw/zinc/37/36/06/691373606.db2.gz HTKIYXXPGKONKE-CVEARBPZSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC23CCN(C)CC3)c1Cl ZINC000907127827 691402458 /nfs/dbraw/zinc/40/24/58/691402458.db2.gz JGACYRVOWJKPPK-UHFFFAOYSA-N -1 1 372.874 2.205 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(Cn2cc(Cl)cn2)s1)c1nn[n-]n1 ZINC000907349295 691459270 /nfs/dbraw/zinc/45/92/70/691459270.db2.gz DRNFDRIPOREXCJ-SECBINFHSA-N -1 1 365.850 2.035 20 0 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/nfs/dbraw/zinc/49/40/46/691494046.db2.gz GYEUMAJNMYQNDJ-GFCCVEGCSA-N -1 1 364.500 2.173 20 0 FEADMM O=C(c1cccc(Br)c1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477609 691495786 /nfs/dbraw/zinc/49/57/86/691495786.db2.gz FZIZQJVCFPFQAV-SECBINFHSA-N -1 1 372.223 2.032 20 0 FEADMM O=S(=O)([N-]CC[C@H]1CCCC[C@H]1O)c1ncccc1Br ZINC000907485208 691499058 /nfs/dbraw/zinc/49/90/58/691499058.db2.gz BGVNMUCYASKPOU-ZYHUDNBSSA-N -1 1 363.277 2.064 20 0 FEADMM COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000907685735 691539853 /nfs/dbraw/zinc/53/98/53/691539853.db2.gz YXHPYWZQCVLKSK-MWQHPAIMSA-N -1 1 367.398 2.438 20 0 FEADMM C[C@]1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCNC1=O ZINC000907806384 691564173 /nfs/dbraw/zinc/56/41/73/691564173.db2.gz KNDWURRHMOCDEU-NSHDSACASA-N -1 1 357.646 2.204 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)Cc3ccccc3Br)CC2)n1 ZINC000907865234 691573861 /nfs/dbraw/zinc/57/38/61/691573861.db2.gz PMWLPCJXMUNQCY-UHFFFAOYSA-N -1 1 372.244 2.249 20 0 FEADMM 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CN(CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1)C1CCC1 ZINC000908910675 691751351 /nfs/dbraw/zinc/75/13/51/691751351.db2.gz OFMLLFMXPAUTON-AWEZNQCLSA-N -1 1 355.232 2.175 20 0 FEADMM C[C@@H]1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)[C@@H](C(=O)[O-])C1 ZINC000909095040 691777423 /nfs/dbraw/zinc/77/74/23/691777423.db2.gz JWENSGFYCMLTPS-CZUORRHYSA-N -1 1 351.422 2.152 20 0 FEADMM CN(CCNC(=O)N(C)C1(C(=O)[O-])CCCC1)Cc1ccc(F)cc1 ZINC000909095861 691777700 /nfs/dbraw/zinc/77/77/00/691777700.db2.gz PNBQGOSXHJUPFF-UHFFFAOYSA-N -1 1 351.422 2.296 20 0 FEADMM Cc1cc(CC(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])[nH]n1 ZINC000909389581 691816360 /nfs/dbraw/zinc/81/63/60/691816360.db2.gz UNNBUYYERKOTTM-CYBMUJFWSA-N -1 1 356.209 2.380 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCCCOc2ccc(Cl)cc2)C1 ZINC000909399621 691817873 /nfs/dbraw/zinc/81/78/73/691817873.db2.gz UKPAPGXGBFFSCA-AWEZNQCLSA-N -1 1 368.861 2.412 20 0 FEADMM C[C@@]1(NC(=O)C2CCC(N3CCOCC3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000909529846 691831628 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O=C([O-])[C@H]1CCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001465114325 804140953 /nfs/dbraw/zinc/14/09/53/804140953.db2.gz FWSGCFFXUDPPCB-RYUDHWBXSA-N -1 1 351.346 2.090 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)C1CCCCC1 ZINC000780506708 939129988 /nfs/dbraw/zinc/12/99/88/939129988.db2.gz KGERYVMJXVELME-HNNXBMFYSA-N -1 1 357.414 2.304 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000780506708 939129990 /nfs/dbraw/zinc/12/99/90/939129990.db2.gz KGERYVMJXVELME-HNNXBMFYSA-N -1 1 357.414 2.304 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000909127309 939383648 /nfs/dbraw/zinc/38/36/48/939383648.db2.gz WAAMRDYLTOGKCN-ZIAGYGMSSA-N -1 1 373.375 2.471 20 0 FEADMM O=C([O-])[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1 ZINC000911063594 939769624 /nfs/dbraw/zinc/76/96/24/939769624.db2.gz KWCSLONNSKWWRD-IINYFYTJSA-N -1 1 367.327 2.476 20 0 FEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000007927734 210232194 /nfs/dbraw/zinc/23/21/94/210232194.db2.gz GKKULQDPPDIFOF-UHFFFAOYSA-N -1 1 360.391 2.159 20 0 FEADMM O=C(c1ccc(I)cc1[O-])N1CC2(CC2(F)F)C1 ZINC000869183568 684591214 /nfs/dbraw/zinc/59/12/14/684591214.db2.gz MCMRCHTWWAUBJN-UHFFFAOYSA-N -1 1 365.117 2.478 20 0 FEADMM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c1 ZINC000549553690 674049266 /nfs/dbraw/zinc/04/92/66/674049266.db2.gz DLCMUDFTWWTMQI-UHFFFAOYSA-N -1 1 350.324 2.244 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NCCc2ccccc2OC)n1 ZINC000008205112 539480353 /nfs/dbraw/zinc/48/03/53/539480353.db2.gz LULQJJFWIBTPEU-UHFFFAOYSA-N -1 1 361.467 2.182 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(=O)[nH]c(N(C)C)n2)c1 ZINC000549647128 674055537 /nfs/dbraw/zinc/05/55/37/674055537.db2.gz TWJBIBJCZUWECA-UHFFFAOYSA-N -1 1 367.203 2.277 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000005262316 210082504 /nfs/dbraw/zinc/08/25/04/210082504.db2.gz DRDMKEUJEXNZGK-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)c2ccc(Br)c(O)c2)s[n-]1 ZINC000549788317 674062634 /nfs/dbraw/zinc/06/26/34/674062634.db2.gz RYZSSFYAAALDNT-ZCFIWIBFSA-N -1 1 358.217 2.388 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000022229495 539692652 /nfs/dbraw/zinc/69/26/52/539692652.db2.gz CDVZHITZJBTGHQ-UHFFFAOYSA-N -1 1 359.455 2.424 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCC(C(=O)OC)CC2)n1 ZINC000022931489 539703665 /nfs/dbraw/zinc/70/36/65/539703665.db2.gz ICYHRLKWQJPMJK-LLVKDONJSA-N -1 1 367.471 2.027 20 0 FEADMM COc1cccc(CN(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000025492241 539761371 /nfs/dbraw/zinc/76/13/71/539761371.db2.gz QLEOWKLMYJRMOA-UHFFFAOYSA-N -1 1 361.467 2.400 20 0 FEADMM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1F ZINC000026358289 539784500 /nfs/dbraw/zinc/78/45/00/539784500.db2.gz UOLDOJLQTYRCPQ-UHFFFAOYSA-N -1 1 359.325 2.354 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000026534603 539789209 /nfs/dbraw/zinc/78/92/09/539789209.db2.gz LVZIGHLESWVQKS-UHFFFAOYSA-N -1 1 364.423 2.173 20 0 FEADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000027598148 539811902 /nfs/dbraw/zinc/81/19/02/539811902.db2.gz MEQODJQFRVPQMI-UHFFFAOYSA-N -1 1 374.827 2.088 20 0 FEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1)C1CC1 ZINC000028251454 539829012 /nfs/dbraw/zinc/82/90/12/539829012.db2.gz CUCIMMBBPXYMBV-UHFFFAOYSA-N -1 1 371.418 2.331 20 0 FEADMM COc1cc(NC(=O)c2ccc(N(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000029968153 539870773 /nfs/dbraw/zinc/87/07/73/539870773.db2.gz XGKZLNBKRNVCJF-UHFFFAOYSA-N -1 1 363.439 2.385 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000031776338 539918968 /nfs/dbraw/zinc/91/89/68/539918968.db2.gz PMUUHEJQZKUDET-UHFFFAOYSA-N -1 1 357.819 2.447 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCC(=O)N4)cc2o1 ZINC000032087911 539928240 /nfs/dbraw/zinc/92/82/40/539928240.db2.gz ZVKRCVIWQWBPOP-UHFFFAOYSA-N -1 1 359.363 2.219 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c([O-])c1 ZINC000032707215 539948482 /nfs/dbraw/zinc/94/84/82/539948482.db2.gz FDYIISNGYIPVPL-UHFFFAOYSA-N -1 1 370.405 2.054 20 0 FEADMM Cc1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)ccc1Br ZINC000035296716 539979901 /nfs/dbraw/zinc/97/99/01/539979901.db2.gz XVTRNYVWBVMNGR-NSHDSACASA-N -1 1 355.232 2.493 20 0 FEADMM C[C@@]1(c2ccc(NC(=O)c3csc(=NC4CC4)[n-]3)cc2)NC(=O)NC1=O ZINC000531766381 540116150 /nfs/dbraw/zinc/11/61/50/540116150.db2.gz HCAUFXWWXCRGJH-KRWDZBQOSA-N -1 1 371.422 2.024 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(-n4cccn4)c3)cc2N1 ZINC000045774253 540226589 /nfs/dbraw/zinc/22/65/89/540226589.db2.gz NCRTVZFUGMSVNL-UHFFFAOYSA-N -1 1 370.390 2.004 20 0 FEADMM COc1ccccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000047327519 540303699 /nfs/dbraw/zinc/30/36/99/540303699.db2.gz FAAIBUZZCOWWOH-UHFFFAOYSA-N -1 1 350.378 2.330 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc4n(c(=O)c3c2)CCC4)cc1 ZINC000047906463 540333385 /nfs/dbraw/zinc/33/33/85/540333385.db2.gz FRACZRHFIHTDKA-UHFFFAOYSA-N -1 1 355.419 2.452 20 0 FEADMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nnn1-c1cccc(C)c1 ZINC000054572907 540596035 /nfs/dbraw/zinc/59/60/35/540596035.db2.gz PRMMNONEJDNMAR-UHFFFAOYSA-N -1 1 351.292 2.273 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1 ZINC000055596589 540662482 /nfs/dbraw/zinc/66/24/82/540662482.db2.gz ZTLLOEPCRIFZOM-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000055594695 540662798 /nfs/dbraw/zinc/66/27/98/540662798.db2.gz APILTQDCMJNZAO-UHFFFAOYSA-N -1 1 363.391 2.242 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1F ZINC000055686599 540670881 /nfs/dbraw/zinc/67/08/81/540670881.db2.gz LHODGNICEMVWOH-UHFFFAOYSA-N -1 1 362.386 2.275 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)c(Cl)c2)cc1 ZINC000055667552 540669427 /nfs/dbraw/zinc/66/94/27/540669427.db2.gz CPTAMLRWFLTICL-UHFFFAOYSA-N -1 1 368.842 2.171 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000056935131 540756123 /nfs/dbraw/zinc/75/61/23/540756123.db2.gz OIUHRWTVFOVPHU-CYBMUJFWSA-N -1 1 352.438 2.472 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)cc1 ZINC000057498093 540800141 /nfs/dbraw/zinc/80/01/41/540800141.db2.gz OPGJQCKOPJBNFJ-UHFFFAOYSA-N -1 1 361.423 2.114 20 0 FEADMM COc1cc(C(=O)Nc2ccncc2[O-])cc(Br)c1OC ZINC000550700899 674105823 /nfs/dbraw/zinc/10/58/23/674105823.db2.gz BRGUYPSOQPBHHY-UHFFFAOYSA-N -1 1 353.172 2.241 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c(C)c1 ZINC000058497483 540845795 /nfs/dbraw/zinc/84/57/95/540845795.db2.gz MYRNWKBJNPGODW-UHFFFAOYSA-N -1 1 369.464 2.349 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)ccc1Br ZINC000062936594 541155719 /nfs/dbraw/zinc/15/57/19/541155719.db2.gz CEFBWGVLJCUOFS-OAHLLOKOSA-N -1 1 355.232 2.493 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c2n[nH]cc21 ZINC000063635317 541176082 /nfs/dbraw/zinc/17/60/82/541176082.db2.gz NMHXOQIRAWIWGJ-UHFFFAOYSA-N -1 1 361.379 2.136 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000063886549 541190931 /nfs/dbraw/zinc/19/09/31/541190931.db2.gz QGKWRPHAZBURKL-UHFFFAOYSA-N -1 1 367.448 2.235 20 0 FEADMM COc1cc(NC(=O)c2ccc3c(c2)COC3)ccc1[N-]S(C)(=O)=O ZINC000064488120 541208318 /nfs/dbraw/zinc/20/83/18/541208318.db2.gz ADJYFQSRBLVSBD-UHFFFAOYSA-N -1 1 362.407 2.349 20 0 FEADMM COCc1ccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000064336619 541202086 /nfs/dbraw/zinc/20/20/86/541202086.db2.gz JSVJQCGINDDTEH-UHFFFAOYSA-N -1 1 368.437 2.447 20 0 FEADMM CCn1c(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)n[n-]c1=S ZINC000066636557 541351476 /nfs/dbraw/zinc/35/14/76/541351476.db2.gz FECZVQWJHAWSAU-UHFFFAOYSA-N -1 1 363.468 2.325 20 0 FEADMM CCn1c(CNC(=O)C2CCN(C(=O)OCC(C)C)CC2)n[n-]c1=S ZINC000066636114 541351543 /nfs/dbraw/zinc/35/15/43/541351543.db2.gz UOTIVKBPUUJJRQ-UHFFFAOYSA-N -1 1 369.491 2.081 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2OC(C)C)o1 ZINC000066682556 541359399 /nfs/dbraw/zinc/35/93/99/541359399.db2.gz UVYZUFLXASPAOC-UHFFFAOYSA-N -1 1 356.375 2.366 20 0 FEADMM O=C(NCc1ccc2c(c1)OCCCO2)c1nc2ccccc2c(=O)[n-]1 ZINC000067034376 541408688 /nfs/dbraw/zinc/40/86/88/541408688.db2.gz CGMROQXAMUYEQW-UHFFFAOYSA-N -1 1 351.362 2.014 20 0 FEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000068451988 541593279 /nfs/dbraw/zinc/59/32/79/541593279.db2.gz UUPCLKVRYPZQLG-UHFFFAOYSA-N -1 1 371.470 2.262 20 0 FEADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000070937692 541753171 /nfs/dbraw/zinc/75/31/71/541753171.db2.gz PJTNHFKDNRLEAG-SECBINFHSA-N -1 1 369.443 2.452 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CC=CCC1 ZINC000058436704 212010852 /nfs/dbraw/zinc/01/08/52/212010852.db2.gz DSRPTPJDNLYMGN-ZDUSSCGKSA-N -1 1 350.440 2.472 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ncccc1N1CCOCC1 ZINC000551020891 674120698 /nfs/dbraw/zinc/12/06/98/674120698.db2.gz TYSKTDAAKNHEJU-UHFFFAOYSA-N -1 1 369.393 2.138 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1C ZINC000551020800 674120704 /nfs/dbraw/zinc/12/07/04/674120704.db2.gz QMWFXHYTURXTGJ-LBPRGKRZSA-N -1 1 355.382 2.113 20 0 FEADMM COc1ccc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])nn1 ZINC000801373016 674124723 /nfs/dbraw/zinc/12/47/23/674124723.db2.gz ADGURQOUAORCLY-UHFFFAOYSA-N -1 1 360.757 2.387 20 0 FEADMM O=C(OCC[C@H]1CCOC1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361262 674124385 /nfs/dbraw/zinc/12/43/85/674124385.db2.gz UXVWXTGGOIEAIS-SNVBAGLBSA-N -1 1 350.758 2.341 20 0 FEADMM CCOC(=O)[C@]1([N-]S(=O)(=O)c2cccs2)CCc2ccccc21 ZINC000072994356 541906697 /nfs/dbraw/zinc/90/66/97/541906697.db2.gz WIUIWFUPBPODGG-INIZCTEOSA-N -1 1 351.449 2.431 20 0 FEADMM CC(C)n1c(CNC(=O)[C@H]2CCCN2Cc2ccccn2)n[n-]c1=S ZINC000073497111 541959292 /nfs/dbraw/zinc/95/92/92/541959292.db2.gz DMVFNYQEXVATJP-CQSZACIVSA-N -1 1 360.487 2.197 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000073743929 541994525 /nfs/dbraw/zinc/99/45/25/541994525.db2.gz LMEJISIDFJNSPD-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)cc1 ZINC000074049751 542029432 /nfs/dbraw/zinc/02/94/32/542029432.db2.gz POFYONYWWUPWKF-UHFFFAOYSA-N -1 1 356.407 2.080 20 0 FEADMM COc1ccc2cc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)[nH]c2c1 ZINC000074161959 542045055 /nfs/dbraw/zinc/04/50/55/542045055.db2.gz YNTJQOOUUBKPDJ-UHFFFAOYSA-N -1 1 365.393 2.059 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2NC(C)C)o1 ZINC000074254607 542059506 /nfs/dbraw/zinc/05/95/06/542059506.db2.gz PJVBFOBBLCFMSN-UHFFFAOYSA-N -1 1 355.391 2.399 20 0 FEADMM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000074977312 542144006 /nfs/dbraw/zinc/14/40/06/542144006.db2.gz MAKAYMJVSCLPES-CMPLNLGQSA-N -1 1 364.464 2.006 20 0 FEADMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1c[nH]c(=O)c(C)c1 ZINC000551389336 674142487 /nfs/dbraw/zinc/14/24/87/674142487.db2.gz HZMOKHRFWQWHBA-UHFFFAOYSA-N -1 1 356.787 2.336 20 0 FEADMM COc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(Br)c1 ZINC000801700123 674144236 /nfs/dbraw/zinc/14/42/36/674144236.db2.gz IFLQPXBMPQEAGD-UHFFFAOYSA-N -1 1 361.199 2.365 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CO)cc1 ZINC000076557461 542292940 /nfs/dbraw/zinc/29/29/40/542292940.db2.gz NLQFHTKZZJLRKK-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1C(=O)N(C)C ZINC000076938030 542331460 /nfs/dbraw/zinc/33/14/60/542331460.db2.gz KOXNEFYUNKBRNV-UHFFFAOYSA-N -1 1 360.435 2.433 20 0 FEADMM O=c1oc2ccccc2n1CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551498764 674147585 /nfs/dbraw/zinc/14/75/85/674147585.db2.gz FIVAJFWEHAGBGU-UHFFFAOYSA-N -1 1 370.789 2.366 20 0 FEADMM O=C1OCCN1CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000077392776 542378000 /nfs/dbraw/zinc/37/80/00/542378000.db2.gz KTGMRKSQDDVFJR-UHFFFAOYSA-N -1 1 359.256 2.176 20 0 FEADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000077707581 542410395 /nfs/dbraw/zinc/41/03/95/542410395.db2.gz QJSDVLNEWJEWDJ-UHFFFAOYSA-N -1 1 353.831 2.306 20 0 FEADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000078234499 542449156 /nfs/dbraw/zinc/44/91/56/542449156.db2.gz YMRRISUCYDWWOL-UHFFFAOYSA-N -1 1 368.480 2.432 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCCc3nnc4ccccn43)cnc2n1 ZINC000080087733 542564097 /nfs/dbraw/zinc/56/40/97/542564097.db2.gz URUJSVGKUNFKBM-UHFFFAOYSA-N -1 1 362.393 2.049 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCCc1nnc3ccccn31)c2=O ZINC000080087733 542564099 /nfs/dbraw/zinc/56/40/99/542564099.db2.gz URUJSVGKUNFKBM-UHFFFAOYSA-N -1 1 362.393 2.049 20 0 FEADMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(OC)c1 ZINC000081528664 542662712 /nfs/dbraw/zinc/66/27/12/542662712.db2.gz LJFIVDJKFZPMEM-UHFFFAOYSA-N -1 1 359.426 2.323 20 0 FEADMM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000084939716 542723938 /nfs/dbraw/zinc/72/39/38/542723938.db2.gz BULHLUWYWSVIJT-PELKAZGASA-N -1 1 351.346 2.114 20 0 FEADMM C[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000098078107 543020366 /nfs/dbraw/zinc/02/03/66/543020366.db2.gz FIWCGAVDVOJKIX-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000102889555 543084254 /nfs/dbraw/zinc/08/42/54/543084254.db2.gz GRUJVNGHUGJFKR-SECBINFHSA-N -1 1 373.360 2.057 20 0 FEADMM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C2 ZINC000102935004 543086084 /nfs/dbraw/zinc/08/60/84/543086084.db2.gz CUYNOKUVPOBYAW-NSHDSACASA-N -1 1 355.362 2.255 20 0 FEADMM CN(CC1CCCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932805 543086404 /nfs/dbraw/zinc/08/64/04/543086404.db2.gz NPHVQBXOVVHWSL-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000103941267 543118663 /nfs/dbraw/zinc/11/86/63/543118663.db2.gz JCFMQGKFNXAIST-UHFFFAOYSA-N -1 1 354.454 2.267 20 0 FEADMM C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000103943096 543118792 /nfs/dbraw/zinc/11/87/92/543118792.db2.gz OLUUVIATNFCEQW-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM CCOCc1cccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000104883385 543148924 /nfs/dbraw/zinc/14/89/24/543148924.db2.gz BIXDBUZHIUWOSN-UHFFFAOYSA-N -1 1 354.410 2.357 20 0 FEADMM Cc1cccc2c1CC[C@H]2NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104927375 543151139 /nfs/dbraw/zinc/15/11/39/543151139.db2.gz ABYQVZWWFNFDMP-QGZVFWFLSA-N -1 1 350.422 2.294 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)NCc1ccccc1 ZINC000105618964 543178772 /nfs/dbraw/zinc/17/87/72/543178772.db2.gz FJIXYMDXPGPGOI-JTQLQIEISA-N -1 1 372.368 2.087 20 0 FEADMM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccco1 ZINC000107700073 543275954 /nfs/dbraw/zinc/27/59/54/543275954.db2.gz WNXXVVYADQAGAF-GFCCVEGCSA-N -1 1 370.427 2.021 20 0 FEADMM O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cncc([O-])c1 ZINC000111596509 543408250 /nfs/dbraw/zinc/40/82/50/543408250.db2.gz PJQGFTAJJBOJJJ-QGZVFWFLSA-N -1 1 361.829 2.244 20 0 FEADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111666802 543411275 /nfs/dbraw/zinc/41/12/75/543411275.db2.gz LHFPHZZRRVBCTI-UHFFFAOYSA-N -1 1 372.805 2.492 20 0 FEADMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000112613588 543453996 /nfs/dbraw/zinc/45/39/96/543453996.db2.gz LUAIFVOBQMPSMT-SECBINFHSA-N -1 1 364.261 2.050 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000114155593 543505494 /nfs/dbraw/zinc/50/54/94/543505494.db2.gz AXOIZVOFRZXKIP-GFCCVEGCSA-N -1 1 374.828 2.377 20 0 FEADMM CCO[C@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000114412011 543513980 /nfs/dbraw/zinc/51/39/80/543513980.db2.gz GUPJZMOJMQYPFU-SFHVURJKSA-N -1 1 354.410 2.033 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c(C)s1 ZINC000116601309 543611167 /nfs/dbraw/zinc/61/11/67/543611167.db2.gz YKEYLVFMLIBZOD-UHFFFAOYSA-N -1 1 366.512 2.313 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)o1 ZINC000116361424 543607668 /nfs/dbraw/zinc/60/76/68/543607668.db2.gz WCIRZTDQPYOSLG-GZMMTYOYSA-N -1 1 357.334 2.179 20 0 FEADMM C[C@@H](CN(C)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1nn[n-]n1 ZINC000124367629 543817458 /nfs/dbraw/zinc/81/74/58/543817458.db2.gz AMAYUDSVGWLTHJ-QWRGUYRKSA-N -1 1 359.459 2.132 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nn[n-]n1 ZINC000124500022 543826480 /nfs/dbraw/zinc/82/64/80/543826480.db2.gz NKLAJFIOGJRURC-LBPRGKRZSA-N -1 1 364.409 2.072 20 0 FEADMM O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)CN1 ZINC000125814919 543903297 /nfs/dbraw/zinc/90/32/97/543903297.db2.gz UNEHHZMIJNSWOQ-OCCSQVGLSA-N -1 1 366.421 2.160 20 0 FEADMM CCCOc1cccc(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000126017531 543914089 /nfs/dbraw/zinc/91/40/89/543914089.db2.gz SSJIZOMILANFPV-UHFFFAOYSA-N -1 1 368.437 2.287 20 0 FEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000127036796 543969424 /nfs/dbraw/zinc/96/94/24/543969424.db2.gz JCRFRVIFOYLFIC-QMMMGPOBSA-N -1 1 371.684 2.184 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1ccc(Cl)cc1 ZINC000127183021 543977378 /nfs/dbraw/zinc/97/73/78/543977378.db2.gz MEPSHQRBWZHXRW-UHFFFAOYSA-N -1 1 354.819 2.138 20 0 FEADMM O=C(c1c[nH]c2ccccc2c1=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000127396673 543990291 /nfs/dbraw/zinc/99/02/91/543990291.db2.gz DGNHQSFBAHAOOI-DYVFJYSZSA-N -1 1 368.389 2.086 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127434925 543992807 /nfs/dbraw/zinc/99/28/07/543992807.db2.gz BOXOSVVLQKSACI-ZIAGYGMSSA-N -1 1 353.488 2.003 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC[C@@H](C)O)c1 ZINC000129560661 544118047 /nfs/dbraw/zinc/11/80/47/544118047.db2.gz NPQGGUZRCHYCBA-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)co1 ZINC000129871244 544129871 /nfs/dbraw/zinc/12/98/71/544129871.db2.gz RICOIOZSMSTUMJ-LBPRGKRZSA-N -1 1 350.440 2.284 20 0 FEADMM O=C(Cc1ccccc1F)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130523757 544154262 /nfs/dbraw/zinc/15/42/62/544154262.db2.gz KJINRLUUIVLCKR-UHFFFAOYSA-N -1 1 364.398 2.153 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000097099932 222160170 /nfs/dbraw/zinc/16/01/70/222160170.db2.gz OKRPJUZTRDNRAJ-UHFFFAOYSA-N -1 1 357.410 2.077 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c(C)[n-]c(=O)nc2SC)C12CCC2 ZINC000132528081 544234149 /nfs/dbraw/zinc/23/41/49/544234149.db2.gz HWWBGPOQSOZGMB-VXGBXAGGSA-N -1 1 351.472 2.220 20 0 FEADMM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccn3)n2)c1 ZINC000133152186 544258146 /nfs/dbraw/zinc/25/81/46/544258146.db2.gz RJPHUNQDASYMFS-NSHDSACASA-N -1 1 360.395 2.180 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCc2sccc21 ZINC000133083521 544255272 /nfs/dbraw/zinc/25/52/72/544255272.db2.gz KEDPEIFJNNSLLP-ZDUSSCGKSA-N -1 1 356.451 2.437 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCc4nc(C(C)C)nn4C3)cnc2n1 ZINC000137127118 544385051 /nfs/dbraw/zinc/38/50/51/544385051.db2.gz IDHFXXUXRKUJAJ-GFCCVEGCSA-N -1 1 366.425 2.104 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCc3nc(C(C)C)nn3C1)c2=O ZINC000137127118 544385052 /nfs/dbraw/zinc/38/50/52/544385052.db2.gz IDHFXXUXRKUJAJ-GFCCVEGCSA-N -1 1 366.425 2.104 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)c2)no1 ZINC000139816180 544405212 /nfs/dbraw/zinc/40/52/12/544405212.db2.gz PBFFYURQZHRNQY-UHFFFAOYSA-N -1 1 372.406 2.253 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1)c1nn[n-]n1 ZINC000136642580 544376011 /nfs/dbraw/zinc/37/60/11/544376011.db2.gz CSHPAUKBIFLHKJ-BBRMVZONSA-N -1 1 359.430 2.146 20 0 FEADMM CCC[C@H](NC(=O)Cc1cc(Br)ccc1OC)c1nn[n-]n1 ZINC000136691443 544376882 /nfs/dbraw/zinc/37/68/82/544376882.db2.gz ZVWNLRVXAPOARB-NSHDSACASA-N -1 1 368.235 2.171 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)c1nn[n-]n1 ZINC000136675830 544376892 /nfs/dbraw/zinc/37/68/92/544376892.db2.gz ULOVMAGZBSOVMD-OAHLLOKOSA-N -1 1 358.446 2.085 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCCOC1CCCC1 ZINC000143811770 544424128 /nfs/dbraw/zinc/42/41/28/544424128.db2.gz CJCUCSBXUPDSIK-UHFFFAOYSA-N -1 1 370.453 2.148 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2csc(COC)n2)s1 ZINC000147144750 544444667 /nfs/dbraw/zinc/44/46/67/544444667.db2.gz JVWDORQSIQJACH-UHFFFAOYSA-N -1 1 374.469 2.049 20 0 FEADMM O=C(Nc1nn[n-]n1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000150728311 544464794 /nfs/dbraw/zinc/46/47/94/544464794.db2.gz IMQSFEHYNJKEES-UHFFFAOYSA-N -1 1 355.141 2.326 20 0 FEADMM CC(C)(C)C[C@H](NC(=O)CS(=O)(=O)c1nc[n-]n1)c1ccc(F)cc1 ZINC000150950271 544489280 /nfs/dbraw/zinc/48/92/80/544489280.db2.gz RGGUJBRPUPYWJM-ZDUSSCGKSA-N -1 1 368.434 2.011 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c1 ZINC000152801079 544697327 /nfs/dbraw/zinc/69/73/27/544697327.db2.gz JMXWEGVZSOMMNF-UHFFFAOYSA-N -1 1 374.212 2.307 20 0 FEADMM Cc1cnccc1CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000153111915 544734466 /nfs/dbraw/zinc/73/44/66/544734466.db2.gz BXTFSASAAGILTR-UHFFFAOYSA-N -1 1 365.455 2.032 20 0 FEADMM CN(CCNC(=O)c1ccc(Cl)cc1[O-])S(=O)(=O)c1cccs1 ZINC000153520780 544786219 /nfs/dbraw/zinc/78/62/19/544786219.db2.gz CQIFDSXLZFHUDV-UHFFFAOYSA-N -1 1 374.871 2.158 20 0 FEADMM CC(C)[C@@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000154275436 544884616 /nfs/dbraw/zinc/88/46/16/544884616.db2.gz IUJYGPLMOWVZFE-KRWDZBQOSA-N -1 1 362.451 2.234 20 0 FEADMM O=c1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccccc2[nH]1 ZINC000155243857 545004497 /nfs/dbraw/zinc/00/44/97/545004497.db2.gz UUVWVWLWHYHICK-UHFFFAOYSA-N -1 1 368.336 2.424 20 0 FEADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180534592 327689781 /nfs/dbraw/zinc/68/97/81/327689781.db2.gz BPDLKQYETJXMEG-RKDXNWHRSA-N -1 1 353.362 2.305 20 0 FEADMM C[C@@H](CNC(=O)c1ccc([O-])cc1F)N1CCN(c2ccccc2)CC1 ZINC000181132427 327717631 /nfs/dbraw/zinc/71/76/31/327717631.db2.gz DHPYEFKXQKFNBW-HNNXBMFYSA-N -1 1 357.429 2.472 20 0 FEADMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2)n1 ZINC000181162390 327718516 /nfs/dbraw/zinc/71/85/16/327718516.db2.gz ZBUGIRYIMMEMDC-UHFFFAOYSA-N -1 1 356.407 2.218 20 0 FEADMM CCCS(=O)(=O)CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182909099 327793328 /nfs/dbraw/zinc/79/33/28/327793328.db2.gz JLVKJFPEYVRSMC-UHFFFAOYSA-N -1 1 350.234 2.226 20 0 FEADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000183915731 327842328 /nfs/dbraw/zinc/84/23/28/327842328.db2.gz FHXGMDXPDCILLT-MRVPVSSYSA-N -1 1 354.407 2.279 20 0 FEADMM C/C=C/C[C@@H](CO)NC(=O)c1cc(I)ccc1[O-] ZINC000184504713 327870539 /nfs/dbraw/zinc/87/05/39/327870539.db2.gz QBCSYIHAQJKNPR-PBKGFPTLSA-N -1 1 361.179 2.054 20 0 FEADMM COCC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000184671079 327878442 /nfs/dbraw/zinc/87/84/42/327878442.db2.gz WLSGFINOOZZRLW-UHFFFAOYSA-N -1 1 364.398 2.162 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000186749105 327980273 /nfs/dbraw/zinc/98/02/73/327980273.db2.gz BMZFVUWICQGXAF-UHFFFAOYSA-N -1 1 364.449 2.372 20 0 FEADMM CCOc1cc(C(=O)N2CCC(CC(=O)NC)CC2)cc(Cl)c1[O-] ZINC000186845609 327986051 /nfs/dbraw/zinc/98/60/51/327986051.db2.gz OFTKFXSWBXRRQF-UHFFFAOYSA-N -1 1 354.834 2.433 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c(=O)[n-]1 ZINC000187502559 328030433 /nfs/dbraw/zinc/03/04/33/328030433.db2.gz TXRNHBXPQAUHOR-LSDHHAIUSA-N -1 1 367.515 2.443 20 0 FEADMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(N)=O ZINC000187860889 328050995 /nfs/dbraw/zinc/05/09/95/328050995.db2.gz ZXSGQDZJOYHJNU-JTQLQIEISA-N -1 1 357.234 2.311 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000190269721 328197505 /nfs/dbraw/zinc/19/75/05/328197505.db2.gz ZAAXCLSWBDSJMO-UHFFFAOYSA-N -1 1 367.421 2.370 20 0 FEADMM C[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190775650 328231866 /nfs/dbraw/zinc/23/18/66/328231866.db2.gz GVNCAARTFGYXJQ-LURJTMIESA-N -1 1 360.632 2.291 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])CCO1 ZINC000193109306 328357922 /nfs/dbraw/zinc/35/79/22/328357922.db2.gz XVNQNHUQMBPNGV-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM CCOC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000194821154 328441968 /nfs/dbraw/zinc/44/19/68/328441968.db2.gz 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/nfs/dbraw/zinc/16/36/56/325163656.db2.gz ZYNCTTXGNVWFGW-UHFFFAOYSA-N -1 1 366.512 2.111 20 0 FEADMM COc1cccc(C(=O)N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000081937191 325203982 /nfs/dbraw/zinc/20/39/82/325203982.db2.gz OFVBVNARXFKKGG-UHFFFAOYSA-N -1 1 358.369 2.138 20 0 FEADMM CC(C)N(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000085385423 325252022 /nfs/dbraw/zinc/25/20/22/325252022.db2.gz SWBWYASOWPIVFH-UHFFFAOYSA-N -1 1 368.484 2.223 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(CC)n1)c1ccccc1 ZINC000086170284 325261491 /nfs/dbraw/zinc/26/14/91/325261491.db2.gz STWMXOWDCRVFPK-TZMCWYRMSA-N -1 1 364.471 2.187 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n[n-]1 ZINC000086170655 325261714 /nfs/dbraw/zinc/26/17/14/325261714.db2.gz OJWTZVBPGSWBLX-VIFPVBQESA-N -1 1 356.835 2.130 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(O)(C(F)(F)F)CC3)cnc2n1 ZINC000089950550 325345127 /nfs/dbraw/zinc/34/51/27/325345127.db2.gz DSQOIHUNOWROPL-UHFFFAOYSA-N -1 1 355.316 2.173 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC(O)(C(F)(F)F)CC3)c[n-]c2n1 ZINC000089950550 325345131 /nfs/dbraw/zinc/34/51/31/325345131.db2.gz DSQOIHUNOWROPL-UHFFFAOYSA-N -1 1 355.316 2.173 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC000091160244 325376048 /nfs/dbraw/zinc/37/60/48/325376048.db2.gz GWVPAJVCKCTJJJ-MRXNPFEDSA-N -1 1 364.398 2.450 20 0 FEADMM CCc1noc(CC)c1CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091159543 325376179 /nfs/dbraw/zinc/37/61/79/325376179.db2.gz ZFOBWHWZLDADPQ-UHFFFAOYSA-N -1 1 369.418 2.491 20 0 FEADMM O=c1cc(CN2CCC(OCc3ccccc3F)CC2)nc2cc[n-]n21 ZINC000091864421 325396398 /nfs/dbraw/zinc/39/63/98/325396398.db2.gz LDAJVWXDNLBBHU-UHFFFAOYSA-N -1 1 356.401 2.343 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCCO ZINC000098074899 325465679 /nfs/dbraw/zinc/46/56/79/325465679.db2.gz CYLRMJPTTYNTQH-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM CC(C)COC[C@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)c1ccco1 ZINC000101576884 325473028 /nfs/dbraw/zinc/47/30/28/325473028.db2.gz 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ZINC000119276206 326144405 /nfs/dbraw/zinc/14/44/05/326144405.db2.gz WRNSJHLYGNFKNR-QGZVFWFLSA-N -1 1 374.412 2.343 20 0 FEADMM O=C(CN1CCC(NC(=O)c2ccccc2)CC1)[N-]OCc1ccccc1 ZINC000119314880 326148831 /nfs/dbraw/zinc/14/88/31/326148831.db2.gz QFGCPZZUHBSNSJ-UHFFFAOYSA-N -1 1 367.449 2.129 20 0 FEADMM Cc1ccc(C(=O)N[C@H](C)CO)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000119540295 326173409 /nfs/dbraw/zinc/17/34/09/326173409.db2.gz CTFCUCFLGBTLIR-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)c1nn[n-]n1 ZINC000119614537 326181091 /nfs/dbraw/zinc/18/10/91/326181091.db2.gz YURCOGUIRXDMQZ-LLVKDONJSA-N -1 1 356.199 2.301 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCO)ccc2C)c1 ZINC000120112272 326231463 /nfs/dbraw/zinc/23/14/63/326231463.db2.gz BUHFOWMQOWMMSE-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000120326469 326249934 /nfs/dbraw/zinc/24/99/34/326249934.db2.gz DYWDREIAMMMPKP-LLVKDONJSA-N -1 1 365.231 2.299 20 0 FEADMM O=C([N-]OCc1cccnc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000120797481 326288789 /nfs/dbraw/zinc/28/87/89/326288789.db2.gz GULWXUYBSGQSDG-GFCCVEGCSA-N -1 1 363.776 2.475 20 0 FEADMM CSCc1noc(CCC(=O)Nc2nc(Br)ccc2[O-])n1 ZINC000121496005 326343383 /nfs/dbraw/zinc/34/33/83/326343383.db2.gz BYSVSYVVGNIJAB-UHFFFAOYSA-N -1 1 373.232 2.367 20 0 FEADMM CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc3ccccc3c2O)CC1 ZINC000121820593 326370064 /nfs/dbraw/zinc/37/00/64/326370064.db2.gz ZRWQIDVLIGXIRF-UHFFFAOYSA-N -1 1 369.465 2.266 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3nccn3C)cs2)c1 ZINC000123491649 326433285 /nfs/dbraw/zinc/43/32/85/326433285.db2.gz VRVGXIMVPHPBEP-UHFFFAOYSA-N -1 1 357.395 2.460 20 0 FEADMM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000125687579 326476162 /nfs/dbraw/zinc/47/61/62/326476162.db2.gz MTADZXOEFNTFKT-SNVBAGLBSA-N -1 1 358.204 2.023 20 0 FEADMM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@H](C)CO ZINC000126721232 326493860 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O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000164647148 327073064 /nfs/dbraw/zinc/07/30/64/327073064.db2.gz LUGGKYUEUJUFLZ-NSHDSACASA-N -1 1 362.323 2.257 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)c1 ZINC000171333927 327132774 /nfs/dbraw/zinc/13/27/74/327132774.db2.gz AKKHZFWLODLWGH-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM COC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000171423026 327138607 /nfs/dbraw/zinc/13/86/07/327138607.db2.gz PHXAWIMJRURWSD-SSDOTTSWSA-N -1 1 358.204 2.288 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCOC1)c1cc(Br)c(F)cc1F ZINC000171539787 327145000 /nfs/dbraw/zinc/14/50/00/327145000.db2.gz IAYYNVUCZMVTOJ-SSDOTTSWSA-N -1 1 356.188 2.185 20 0 FEADMM Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3[O-])C2=O)n1 ZINC000172854939 327222847 /nfs/dbraw/zinc/22/28/47/327222847.db2.gz LCAZKWJSRMCTDG-MRXNPFEDSA-N -1 1 364.405 2.204 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000174024674 327302444 /nfs/dbraw/zinc/30/24/44/327302444.db2.gz AFBQHHHRPWEREL-ODXCJYRJSA-N -1 1 350.422 2.402 20 0 FEADMM Cc1ccc(O[C@H](C)CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000174088328 327305504 /nfs/dbraw/zinc/30/55/04/327305504.db2.gz NPDITHSVYHCFBQ-CYBMUJFWSA-N -1 1 368.437 2.074 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1 ZINC000174259193 327315744 /nfs/dbraw/zinc/31/57/44/327315744.db2.gz RBDKDWYZHPXQGX-JOCHJYFZSA-N -1 1 352.437 2.183 20 0 FEADMM CN1CCN(C(=O)Cc2cccc(NC(=O)c3cc(F)ccc3[O-])c2)CC1 ZINC000175264624 327383086 /nfs/dbraw/zinc/38/30/86/327383086.db2.gz NNIXFQHOTSGMPS-UHFFFAOYSA-N -1 1 371.412 2.100 20 0 FEADMM CN(C[C@@H]1CCOC1)C(=O)c1cc(I)ccc1[O-] ZINC000175434667 327392522 /nfs/dbraw/zinc/39/25/22/327392522.db2.gz PFLQBCAJCIHOJA-VIFPVBQESA-N -1 1 361.179 2.105 20 0 FEADMM O=C(NCCCOC1CCOCC1)c1ccc(Br)cc1[O-] ZINC000176006956 327427894 /nfs/dbraw/zinc/42/78/94/327427894.db2.gz UWWQNBFIZJMREM-UHFFFAOYSA-N -1 1 358.232 2.470 20 0 FEADMM CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(C)C ZINC000176664294 327468903 /nfs/dbraw/zinc/46/89/03/327468903.db2.gz RVICODIMHSHQTH-KBPBESRZSA-N -1 1 372.487 2.244 20 0 FEADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(C)C ZINC000176664309 327469003 /nfs/dbraw/zinc/46/90/03/327469003.db2.gz RVICODIMHSHQTH-ZIAGYGMSSA-N -1 1 372.487 2.244 20 0 FEADMM CN(CC(C)(C)O)C(=O)Cn1c(-c2ccc(Cl)cc2)n[n-]c1=S ZINC000176897783 327482889 /nfs/dbraw/zinc/48/28/89/327482889.db2.gz FXMSXXGURYVEJK-UHFFFAOYSA-N -1 1 354.863 2.490 20 0 FEADMM CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1cccc(F)c1 ZINC000262994556 328906796 /nfs/dbraw/zinc/90/67/96/328906796.db2.gz MFENAQIRMQGLIR-ZSZQSSIHSA-N -1 1 363.433 2.325 20 0 FEADMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000263846450 328967750 /nfs/dbraw/zinc/96/77/50/328967750.db2.gz KYXDJLXZXBVWDB-UHFFFAOYSA-N -1 1 356.835 2.013 20 0 FEADMM O=C(NCC1N=NC(=S)N1C1CC1)c1cc(Br)ccc1[O-] ZINC000264147308 328995094 /nfs/dbraw/zinc/99/50/94/328995094.db2.gz YFSFATRMPMLFEJ-UHFFFAOYSA-N -1 1 369.244 2.300 20 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/nfs/dbraw/zinc/31/21/04/329312104.db2.gz LCDLTPCJDIEVJO-OXQOHEQNSA-N -1 1 370.453 2.153 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000267361368 329319115 /nfs/dbraw/zinc/31/91/15/329319115.db2.gz WMSRARIBPVJDJU-OXQOHEQNSA-N -1 1 370.453 2.153 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000267361373 329319176 /nfs/dbraw/zinc/31/91/76/329319176.db2.gz WMSRARIBPVJDJU-UZLBHIALSA-N -1 1 370.453 2.153 20 0 FEADMM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000268826351 329459105 /nfs/dbraw/zinc/45/91/05/329459105.db2.gz VFLLQVWYBYKYAY-AWEZNQCLSA-N -1 1 351.449 2.105 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)CO)cc2)cc1 ZINC000268837122 329460292 /nfs/dbraw/zinc/46/02/92/329460292.db2.gz MDCVFVQJDJMFAA-AWEZNQCLSA-N -1 1 362.451 2.154 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1 ZINC000268996391 329476232 /nfs/dbraw/zinc/47/62/32/329476232.db2.gz WPJCMIDYEOEBKE-HSZRJFAPSA-N -1 1 369.464 2.383 20 0 FEADMM CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000269028859 329479089 /nfs/dbraw/zinc/47/90/89/329479089.db2.gz LQBCMEXORKIFKU-GFCCVEGCSA-N -1 1 354.378 2.496 20 0 FEADMM CCC(CC)(CO)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000270047082 329570578 /nfs/dbraw/zinc/57/05/78/329570578.db2.gz GIZGORNBPFMXQG-UHFFFAOYSA-N -1 1 358.442 2.010 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)N1CCCCC1 ZINC000272067179 329749077 /nfs/dbraw/zinc/74/90/77/329749077.db2.gz BGAYLAQBYOLXHH-UHFFFAOYSA-N -1 1 366.270 2.069 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2csnc2C)c1 ZINC000272233687 329762225 /nfs/dbraw/zinc/76/22/25/329762225.db2.gz MNZGHFJADZXGCW-UHFFFAOYSA-N -1 1 369.468 2.440 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)c1 ZINC000272516838 329787504 /nfs/dbraw/zinc/78/75/04/329787504.db2.gz YWDKDKLEWNKAGI-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM CCC[C@H](NCC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000273163913 329842127 /nfs/dbraw/zinc/84/21/27/329842127.db2.gz AVVDPCNDEDVZHJ-OCCSQVGLSA-N -1 1 352.431 2.114 20 0 FEADMM COC(=O)C1(CNC(=O)c2c(C)[n-]c(=O)nc2SC)CCCCC1 ZINC000273182100 329843715 /nfs/dbraw/zinc/84/37/15/329843715.db2.gz GEPCDAAQYRIKPN-UHFFFAOYSA-N -1 1 353.444 2.066 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000274251655 329930946 /nfs/dbraw/zinc/93/09/46/329930946.db2.gz ZIJYIVZHYJVAIA-VIFPVBQESA-N -1 1 361.288 2.046 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000274376951 329943158 /nfs/dbraw/zinc/94/31/58/329943158.db2.gz FJMVLQKAYHKOTH-NSHDSACASA-N -1 1 367.471 2.406 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c([O-])c1 ZINC000275162206 330017023 /nfs/dbraw/zinc/01/70/23/330017023.db2.gz JEFVTQKSEIWRDV-UHFFFAOYSA-N -1 1 374.368 2.265 20 0 FEADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000276349408 330143544 /nfs/dbraw/zinc/14/35/44/330143544.db2.gz NOFQGILRMYWJBZ-SECBINFHSA-N -1 1 358.423 2.278 20 0 FEADMM Cn1cc([C@H](O)C[C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)cn1 ZINC000371456588 330243745 /nfs/dbraw/zinc/24/37/45/330243745.db2.gz GTHMTXASXYGTFI-TZMCWYRMSA-N -1 1 359.455 2.219 20 0 FEADMM O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(Cl)c1[O-] ZINC000649592942 450593081 /nfs/dbraw/zinc/59/30/81/450593081.db2.gz VGYPZWRPYUTRDW-LLVKDONJSA-N -1 1 357.819 2.222 20 0 FEADMM COC(=O)Nc1cccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000804607558 674293799 /nfs/dbraw/zinc/29/37/99/674293799.db2.gz LTSJTQVLRIWYRD-UHFFFAOYSA-N -1 1 357.395 2.126 20 0 FEADMM CCOC(=O)c1nnsc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000554881162 674339517 /nfs/dbraw/zinc/33/95/17/674339517.db2.gz GAMQCBWLOHOJHF-UHFFFAOYSA-N -1 1 352.319 2.442 20 0 FEADMM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1cccc(F)c1F ZINC000134001347 518202912 /nfs/dbraw/zinc/20/29/12/518202912.db2.gz QUAZXQVJVXLVHW-UHFFFAOYSA-N -1 1 354.382 2.247 20 0 FEADMM CN(C)Cc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cn1 ZINC000555549303 674366022 /nfs/dbraw/zinc/36/60/22/674366022.db2.gz YUOOZJUGVGKHQY-UHFFFAOYSA-N -1 1 357.439 2.126 20 0 FEADMM CN(CCCO)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000555601049 674368642 /nfs/dbraw/zinc/36/86/42/674368642.db2.gz DSCMWZKJZBYCBW-UHFFFAOYSA-N -1 1 366.414 2.081 20 0 FEADMM CCn1cnc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000555753499 674374998 /nfs/dbraw/zinc/37/49/98/674374998.db2.gz RHBJRLNRFFZFOP-AWEZNQCLSA-N -1 1 350.444 2.089 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000155352822 545515596 /nfs/dbraw/zinc/51/55/96/545515596.db2.gz ACVJVFIRKNNMQU-YUMQZZPRSA-N -1 1 356.810 2.424 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000477274319 561140902 /nfs/dbraw/zinc/14/09/02/561140902.db2.gz SYWOEDJSTAHAAT-QMMMGPOBSA-N -1 1 360.395 2.339 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C)ccc2OC(F)F)co1 ZINC000156109110 545599674 /nfs/dbraw/zinc/59/96/74/545599674.db2.gz MKJUIFVDPRAEAG-UHFFFAOYSA-N -1 1 374.365 2.028 20 0 FEADMM COc1cc(NC(=O)c2cncnc2C(C)C)ccc1[N-]S(C)(=O)=O ZINC000477505668 561146634 /nfs/dbraw/zinc/14/66/34/561146634.db2.gz CNJIOPFNVCJNES-UHFFFAOYSA-N -1 1 364.427 2.232 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000477396287 561143943 /nfs/dbraw/zinc/14/39/43/561143943.db2.gz JCNQZWPJQOEHMY-UHFFFAOYSA-N -1 1 367.793 2.470 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)o1 ZINC000157311608 545726022 /nfs/dbraw/zinc/72/60/22/545726022.db2.gz TYTKWDUZYRHFPL-XOKHGSTOSA-N -1 1 361.419 2.463 20 0 FEADMM COc1ccc(C2(NC(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CCCC2)cc1 ZINC000477613199 561149348 /nfs/dbraw/zinc/14/93/48/561149348.db2.gz VUFDEANEEDBINY-UHFFFAOYSA-N -1 1 359.382 2.104 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(F)cc1F ZINC000157600023 545759192 /nfs/dbraw/zinc/75/91/92/545759192.db2.gz IRALMQXZWZTIBE-UHFFFAOYSA-N -1 1 359.354 2.330 20 0 FEADMM C[C@@]1([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCOC1 ZINC000158456960 545862383 /nfs/dbraw/zinc/86/23/83/545862383.db2.gz JKEFGAPYLUGISP-LLVKDONJSA-N -1 1 356.188 2.185 20 0 FEADMM Cc1noc(C)c1COc1cccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000478582606 561170256 /nfs/dbraw/zinc/17/02/56/561170256.db2.gz HHBMMVDSTNEKKI-NSHDSACASA-N -1 1 370.413 2.259 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(COC)c2)o1 ZINC000479184814 561183718 /nfs/dbraw/zinc/18/37/18/561183718.db2.gz HKSRDPDWFRCHRR-UHFFFAOYSA-N -1 1 353.396 2.081 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1F ZINC000479569590 561192181 /nfs/dbraw/zinc/19/21/81/561192181.db2.gz MARIHEKROGJKRS-UHFFFAOYSA-N -1 1 368.386 2.051 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nn[n-]n1 ZINC000176785140 546487995 /nfs/dbraw/zinc/48/79/95/546487995.db2.gz IAGNHTQMMQJXLJ-ZDUSSCGKSA-N -1 1 369.404 2.284 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1C ZINC000481570045 561236287 /nfs/dbraw/zinc/23/62/87/561236287.db2.gz OIQCYKAFPMQIJT-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM COc1ccc(N(C)S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1F ZINC000481627639 561237620 /nfs/dbraw/zinc/23/76/20/561237620.db2.gz ZQXRMCCFUCZMOE-UHFFFAOYSA-N -1 1 368.386 2.323 20 0 FEADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000481880648 561244638 /nfs/dbraw/zinc/24/46/38/561244638.db2.gz JSGHNGZUHGZRDE-UHFFFAOYSA-N -1 1 365.411 2.097 20 0 FEADMM COC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481976551 561246597 /nfs/dbraw/zinc/24/65/97/561246597.db2.gz ZTISGKWBAHCIMI-UHFFFAOYSA-N -1 1 363.391 2.210 20 0 FEADMM C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179540404 546974027 /nfs/dbraw/zinc/97/40/27/546974027.db2.gz NIFVXDOSTDBQTC-GFCCVEGCSA-N -1 1 351.410 2.155 20 0 FEADMM O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc(Br)c([O-])c1 ZINC000482216881 561250346 /nfs/dbraw/zinc/25/03/46/561250346.db2.gz RWEPJKGBTUODSM-UHFFFAOYSA-N -1 1 365.109 2.222 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)c1Cl ZINC000179985848 547036866 /nfs/dbraw/zinc/03/68/66/547036866.db2.gz KKZCCDHMZDRWDB-NSHDSACASA-N -1 1 359.810 2.405 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000180858689 547196020 /nfs/dbraw/zinc/19/60/20/547196020.db2.gz NEFCIAICZGWVSL-UHFFFAOYSA-N -1 1 366.425 2.424 20 0 FEADMM C[C@H](O)[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000181058116 547240087 /nfs/dbraw/zinc/24/00/87/547240087.db2.gz NXMZFSOSJZDMID-GOEBONIOSA-N -1 1 374.462 2.330 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(=Cc2cccc(F)c2)CC1 ZINC000483102530 561267354 /nfs/dbraw/zinc/26/73/54/561267354.db2.gz UZIRMFWKBFCBJN-UHFFFAOYSA-N -1 1 369.396 2.362 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c1 ZINC000181120271 547254405 /nfs/dbraw/zinc/25/44/05/547254405.db2.gz WHDUNFPSAVOYGA-UHFFFAOYSA-N -1 1 352.387 2.303 20 0 FEADMM COC[C@H](NCC(=O)[N-]OCc1ccccc1)c1ccc(F)c(F)c1 ZINC000181449059 547316915 /nfs/dbraw/zinc/31/69/15/547316915.db2.gz GAXGZLUPNQIHCB-KRWDZBQOSA-N -1 1 350.365 2.490 20 0 FEADMM COc1cc(NC(=O)N2CCS[C@H](C)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000483332540 561274433 /nfs/dbraw/zinc/27/44/33/561274433.db2.gz BTDGTZQYTVVDHA-GHMZBOCLSA-N -1 1 373.500 2.424 20 0 FEADMM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181832200 547388409 /nfs/dbraw/zinc/38/84/09/547388409.db2.gz CVPGYXJNUJGTDF-UHFFFAOYSA-N -1 1 367.409 2.373 20 0 FEADMM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@H](c2ccccc2)CO1 ZINC000182091373 547435136 /nfs/dbraw/zinc/43/51/36/547435136.db2.gz VFBGRBFENJWZIC-LRDDRELGSA-N -1 1 352.394 2.276 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1)c2=O ZINC000182336408 547475203 /nfs/dbraw/zinc/47/52/03/547475203.db2.gz RSAABAAOEJZHIP-QGZVFWFLSA-N -1 1 366.421 2.087 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000182915291 547571915 /nfs/dbraw/zinc/57/19/15/547571915.db2.gz AEYBGXNZSGSCAD-SECBINFHSA-N -1 1 362.245 2.226 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCN(C(N)=O)C2)c1 ZINC000182929090 547574320 /nfs/dbraw/zinc/57/43/20/547574320.db2.gz HLBKBQNEFKAQHC-VIFPVBQESA-N -1 1 356.220 2.192 20 0 FEADMM CCc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC000183427829 547656954 /nfs/dbraw/zinc/65/69/54/547656954.db2.gz FGARSYJMNGRMPE-LLVKDONJSA-N -1 1 373.848 2.477 20 0 FEADMM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183433105 547658169 /nfs/dbraw/zinc/65/81/69/547658169.db2.gz LKRIIJPTMQGJMF-LLVKDONJSA-N -1 1 373.848 2.282 20 0 FEADMM COCc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC ZINC000484661738 561302802 /nfs/dbraw/zinc/30/28/02/561302802.db2.gz DMASRALHQBIHSD-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Oc2ccccc2)cn1 ZINC000485049467 561311403 /nfs/dbraw/zinc/31/14/03/561311403.db2.gz LVXFXFMMSFPAEP-UHFFFAOYSA-N -1 1 364.361 2.343 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC000485102772 561312566 /nfs/dbraw/zinc/31/25/66/561312566.db2.gz KTLPAGGLNRQZIB-UHFFFAOYSA-N -1 1 361.379 2.164 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)N1CCC[C@H](C)C1 ZINC000184914906 547898663 /nfs/dbraw/zinc/89/86/63/547898663.db2.gz SXIFTRKTCWGWFS-RYUDHWBXSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCN(C)C)Cc1ccco1 ZINC000185051639 547923151 /nfs/dbraw/zinc/92/31/51/547923151.db2.gz UGNRHBWCAZSFGF-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485287590 561316349 /nfs/dbraw/zinc/31/63/49/561316349.db2.gz IDKDAEUCVXXCHW-UHFFFAOYSA-N -1 1 366.370 2.307 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000185105857 547935200 /nfs/dbraw/zinc/93/52/00/547935200.db2.gz XBUIYPLILMZEGT-JOYOIKCWSA-N -1 1 372.874 2.250 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000185557397 548002043 /nfs/dbraw/zinc/00/20/43/548002043.db2.gz KREWEQOCTTYDEF-OAHLLOKOSA-N -1 1 373.478 2.274 20 0 FEADMM Cc1nc([C@H]2CCCN2C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000187004229 548239383 /nfs/dbraw/zinc/23/93/83/548239383.db2.gz MUNZYLSFYHOYPZ-OAHLLOKOSA-N -1 1 371.466 2.311 20 0 FEADMM CCN1CCN([C@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)CC1 ZINC000194612037 548504989 /nfs/dbraw/zinc/50/49/89/548504989.db2.gz NKAATRODGFHJGM-ZDUSSCGKSA-N -1 1 355.841 2.037 20 0 FEADMM O=S(=O)(CC[C@@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195116768 548579736 /nfs/dbraw/zinc/57/97/36/548579736.db2.gz BKTSOIJERFNFBA-LBPRGKRZSA-N -1 1 371.846 2.380 20 0 FEADMM O=S(=O)(CC[C@@H]1CCCO1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195116768 548579739 /nfs/dbraw/zinc/57/97/39/548579739.db2.gz BKTSOIJERFNFBA-LBPRGKRZSA-N -1 1 371.846 2.380 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000486893793 561359239 /nfs/dbraw/zinc/35/92/39/561359239.db2.gz LOPUSAXWSDOZMD-UHFFFAOYSA-N -1 1 351.428 2.251 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)Cc2nc(-c3ccccc3F)no2)[n-]1 ZINC000195164658 548586980 /nfs/dbraw/zinc/58/69/80/548586980.db2.gz WRAKELUXKYDXBM-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2nc(-c3ccccc3F)no2)n1 ZINC000195164658 548586986 /nfs/dbraw/zinc/58/69/86/548586986.db2.gz WRAKELUXKYDXBM-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2nc(-c3ccccc3F)no2)n[n-]1 ZINC000195164658 548586990 /nfs/dbraw/zinc/58/69/90/548586990.db2.gz WRAKELUXKYDXBM-UHFFFAOYSA-N -1 1 365.390 2.265 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)Cc2nc(-c3ccsc3)no2)[n-]1 ZINC000195167551 548588229 /nfs/dbraw/zinc/58/82/29/548588229.db2.gz ZIMCHTFDUSAUTJ-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2nc(-c3ccsc3)no2)n1 ZINC000195167551 548588234 /nfs/dbraw/zinc/58/82/34/548588234.db2.gz ZIMCHTFDUSAUTJ-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2nc(-c3ccsc3)no2)n[n-]1 ZINC000195167551 548588238 /nfs/dbraw/zinc/58/82/38/548588238.db2.gz ZIMCHTFDUSAUTJ-UHFFFAOYSA-N -1 1 353.429 2.188 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccn(-c3ccccc3F)n2)[n-]1 ZINC000195170936 548590172 /nfs/dbraw/zinc/59/01/72/548590172.db2.gz FOUILKWYONFPBM-UHFFFAOYSA-N -1 1 363.418 2.401 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2ccn(-c3ccccc3F)n2)n1 ZINC000195170936 548590178 /nfs/dbraw/zinc/59/01/78/548590178.db2.gz FOUILKWYONFPBM-UHFFFAOYSA-N -1 1 363.418 2.401 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2ccn(-c3ccccc3F)n2)n[n-]1 ZINC000195170936 548590182 /nfs/dbraw/zinc/59/01/82/548590182.db2.gz FOUILKWYONFPBM-UHFFFAOYSA-N -1 1 363.418 2.401 20 0 FEADMM Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195174584 548590439 /nfs/dbraw/zinc/59/04/39/548590439.db2.gz DBTXHSATEWDQCV-NSHDSACASA-N -1 1 350.444 2.212 20 0 FEADMM Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195174584 548590443 /nfs/dbraw/zinc/59/04/43/548590443.db2.gz DBTXHSATEWDQCV-NSHDSACASA-N -1 1 350.444 2.212 20 0 FEADMM Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195174584 548590450 /nfs/dbraw/zinc/59/04/50/548590450.db2.gz DBTXHSATEWDQCV-NSHDSACASA-N -1 1 350.444 2.212 20 0 FEADMM COc1cc(NC(=O)N2CCSC[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000486950612 561360058 /nfs/dbraw/zinc/36/00/58/561360058.db2.gz MEZBTGQPJDFVSB-NSHDSACASA-N -1 1 373.500 2.284 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000486792326 561356720 /nfs/dbraw/zinc/35/67/20/561356720.db2.gz DITAYNNZRJVLCM-HNNXBMFYSA-N -1 1 364.398 2.323 20 0 FEADMM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000487225707 561366447 /nfs/dbraw/zinc/36/64/47/561366447.db2.gz FDANHBDYTWKFSS-ZDUSSCGKSA-N -1 1 374.784 2.440 20 0 FEADMM COc1ccccc1C[C@H](CNC(=O)c1cc(F)cc2nc[nH]c21)C(=O)[O-] ZINC000237275665 548813940 /nfs/dbraw/zinc/81/39/40/548813940.db2.gz BKOUEBLRYKWZMJ-GFCCVEGCSA-N -1 1 371.368 2.384 20 0 FEADMM O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000245868476 549006447 /nfs/dbraw/zinc/00/64/47/549006447.db2.gz LSBBOSPEGFUCBL-JKSUJKDBSA-N -1 1 360.841 2.411 20 0 FEADMM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488764883 561396545 /nfs/dbraw/zinc/39/65/45/561396545.db2.gz VBSWCYPMNMNIGP-ZETCQYMHSA-N -1 1 358.204 2.431 20 0 FEADMM Clc1ccc(-n2c(SCc3nn[n-]n3)nnc2-c2cnccn2)cc1 ZINC000488884032 561398737 /nfs/dbraw/zinc/39/87/37/561398737.db2.gz ADYVAKYRXIWUKP-UHFFFAOYSA-N -1 1 371.817 2.183 20 0 FEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263136118 549880708 /nfs/dbraw/zinc/88/07/08/549880708.db2.gz DFEHQICNRMHCLF-WDEREUQCSA-N -1 1 355.232 2.430 20 0 FEADMM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000263153951 549881914 /nfs/dbraw/zinc/88/19/14/549881914.db2.gz UYDMXHLXNTXPFS-WDEREUQCSA-N -1 1 363.801 2.434 20 0 FEADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)CNC(=O)c1ncccc1[O-] ZINC000490569015 561435409 /nfs/dbraw/zinc/43/54/09/561435409.db2.gz XFFWHXJAWVSKTE-MRXNPFEDSA-N -1 1 355.438 2.387 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)n(-c2ccc(F)cc2)n1 ZINC000263305832 549893693 /nfs/dbraw/zinc/89/36/93/549893693.db2.gz HFVINQCHLPLEGY-JSGCOSHPSA-N -1 1 374.416 2.301 20 0 FEADMM COc1ccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c([O-])c1 ZINC000263649531 549913293 /nfs/dbraw/zinc/91/32/93/549913293.db2.gz BZIOAYCHUPCQOZ-UHFFFAOYSA-N -1 1 369.421 2.355 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2nc3c(s2)COCC3)c1 ZINC000263911464 549954288 /nfs/dbraw/zinc/95/42/88/549954288.db2.gz CDMBBNJOADTOQI-UHFFFAOYSA-N -1 1 367.452 2.148 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCOC[C@H]1C1CC1 ZINC000270560145 550283454 /nfs/dbraw/zinc/28/34/54/550283454.db2.gz KSFMEZPQHJVKRY-KRWDZBQOSA-N -1 1 368.437 2.123 20 0 FEADMM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272174515 550426942 /nfs/dbraw/zinc/42/69/42/550426942.db2.gz HSZTWWJAGPHQJZ-QMMMGPOBSA-N -1 1 355.243 2.254 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc(Cl)c1[O-] ZINC000273800322 550511731 /nfs/dbraw/zinc/51/17/31/550511731.db2.gz AOPCHPBKXNPCQI-JTQLQIEISA-N -1 1 352.818 2.185 20 0 FEADMM Cc1nnc([C@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000274209819 550528079 /nfs/dbraw/zinc/52/80/79/550528079.db2.gz NDRDGBPAGVOOPZ-VIFPVBQESA-N -1 1 360.443 2.022 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000274376948 550535160 /nfs/dbraw/zinc/53/51/60/550535160.db2.gz FJMVLQKAYHKOTH-LLVKDONJSA-N -1 1 367.471 2.406 20 0 FEADMM Cc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cnn1-c1ccc(Cl)cc1 ZINC000274770368 550553322 /nfs/dbraw/zinc/55/33/22/550553322.db2.gz LVRVPUAYEGEMGV-JTQLQIEISA-N -1 1 359.821 2.223 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C(C)C)C(C)(C)O ZINC000276631975 550579696 /nfs/dbraw/zinc/57/96/96/550579696.db2.gz BNEDZJYFTAUSHO-KRWDZBQOSA-N -1 1 372.469 2.397 20 0 FEADMM CSCC[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000277007812 550621382 /nfs/dbraw/zinc/62/13/82/550621382.db2.gz MJWMBRGAXHJJDD-GFCCVEGCSA-N -1 1 358.826 2.356 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(O)C2)cc1 ZINC000277702938 550703806 /nfs/dbraw/zinc/70/38/06/550703806.db2.gz IAZFFCPGIQYGAD-UHFFFAOYSA-N -1 1 360.435 2.003 20 0 FEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000278223259 550762463 /nfs/dbraw/zinc/76/24/63/550762463.db2.gz JMFRSOZESNMNFB-QGZVFWFLSA-N -1 1 356.426 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3ccccc3)CC2)n1 ZINC000278360069 550777031 /nfs/dbraw/zinc/77/70/31/550777031.db2.gz WZSRCZCBIOGWDH-UHFFFAOYSA-N -1 1 357.414 2.071 20 0 FEADMM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000278804227 550823747 /nfs/dbraw/zinc/82/37/47/550823747.db2.gz ZAKXJWMYQUJTQX-ZBFHGGJFSA-N -1 1 359.422 2.031 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1C[C@@H](C)O ZINC000279126303 550856960 /nfs/dbraw/zinc/85/69/60/550856960.db2.gz ATCSUKIZVREDSV-CJNGLKHVSA-N -1 1 370.453 2.247 20 0 FEADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1F ZINC000279926916 550943728 /nfs/dbraw/zinc/94/37/28/550943728.db2.gz LBNLDSQCMWIOCR-UHFFFAOYSA-N -1 1 359.354 2.330 20 0 FEADMM Cc1nn(C)c2nc(C3CC3)cc(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)c12 ZINC000279971606 550948596 /nfs/dbraw/zinc/94/85/96/550948596.db2.gz YTTZWKGDFORDHE-UCQKPKSFSA-N -1 1 361.409 2.062 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280429220 550993039 /nfs/dbraw/zinc/99/30/39/550993039.db2.gz GSMAEMDJSFEYDQ-IBGZPJMESA-N -1 1 363.458 2.198 20 0 FEADMM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000280811373 551034655 /nfs/dbraw/zinc/03/46/55/551034655.db2.gz TXWICFJQEFIBBX-BDAKNGLRSA-N -1 1 367.254 2.399 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(Cc2cncs2)no1 ZINC000280981092 551051688 /nfs/dbraw/zinc/05/16/88/551051688.db2.gz WGPBFERQOANDQC-QMMMGPOBSA-N -1 1 356.454 2.218 20 0 FEADMM CCOC(=O)[C@H](CCOC)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000281486389 551103712 /nfs/dbraw/zinc/10/37/12/551103712.db2.gz GYZCNBISRYRNQO-LBPRGKRZSA-N -1 1 359.806 2.142 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2n[nH]c3ccccc32)CC1)C(F)(F)F ZINC000281610246 551120210 /nfs/dbraw/zinc/12/02/10/551120210.db2.gz DZLDDTYWRJSSQG-UHFFFAOYSA-N -1 1 354.332 2.094 20 0 FEADMM CC(=O)Nc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281673038 551128984 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/nfs/dbraw/zinc/93/04/08/552930408.db2.gz XWKGYTRMJPSQLP-SNVBAGLBSA-N -1 1 365.373 2.308 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cn(C)nc2C2CCCCC2)o1 ZINC000295826708 553064943 /nfs/dbraw/zinc/06/49/43/553064943.db2.gz PXWJXHPHIVUQGU-UHFFFAOYSA-N -1 1 366.443 2.221 20 0 FEADMM Cc1ccnc(CNC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000297630369 553317792 /nfs/dbraw/zinc/31/77/92/553317792.db2.gz YGFOEMCAYRLARM-DGCLKSJQSA-N -1 1 358.364 2.131 20 0 FEADMM COc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1[N-]S(C)(=O)=O ZINC000298207859 553398221 /nfs/dbraw/zinc/39/82/21/553398221.db2.gz MUJYGQFLPMFVRB-UHFFFAOYSA-N -1 1 351.428 2.274 20 0 FEADMM CCC1(O)CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000298390886 553419631 /nfs/dbraw/zinc/41/96/31/553419631.db2.gz MXERTMAXRBEKMD-UHFFFAOYSA-N -1 1 362.304 2.100 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cc(C(N)=O)ccc2F)c(=O)[n-]1 ZINC000298726490 553464378 /nfs/dbraw/zinc/46/43/78/553464378.db2.gz NKPFETXWZQDELQ-UHFFFAOYSA-N -1 1 364.402 2.022 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000298833598 553478805 /nfs/dbraw/zinc/47/88/05/553478805.db2.gz BHAFMFXXFFFTRL-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM O=C(c1cccc(OCC(F)(F)F)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299036224 553506647 /nfs/dbraw/zinc/50/66/47/553506647.db2.gz RXQDKEXOJBRJDP-NSHDSACASA-N -1 1 370.331 2.059 20 0 FEADMM COc1ccc(NC(=O)NCc2cnc(C)s2)cc1[N-]S(C)(=O)=O ZINC000299146831 553521779 /nfs/dbraw/zinc/52/17/79/553521779.db2.gz DNCIKFUBRQVWDQ-UHFFFAOYSA-N -1 1 370.456 2.153 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000504060343 561652595 /nfs/dbraw/zinc/65/25/95/561652595.db2.gz NUWGPIDVWFIUMX-UHFFFAOYSA-N -1 1 362.407 2.094 20 0 FEADMM CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299614711 553589235 /nfs/dbraw/zinc/58/92/35/553589235.db2.gz HVFMQZARGBERCK-UHFFFAOYSA-N -1 1 365.411 2.042 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(NC(=O)C4CC4)CC3)nc2)[n-]c(=O)c1C ZINC000301374763 553646316 /nfs/dbraw/zinc/64/63/16/553646316.db2.gz QZHSAMMSILGDSV-UHFFFAOYSA-N -1 1 367.453 2.356 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1C(N)=O ZINC000504967049 561664751 /nfs/dbraw/zinc/66/47/51/561664751.db2.gz JDVCKUZHDVUQBH-UHFFFAOYSA-N -1 1 373.434 2.022 20 0 FEADMM COc1cc(C(=O)NCCc2nnc3n2CCCCC3)cc(Cl)c1[O-] ZINC000505312510 561669501 /nfs/dbraw/zinc/66/95/01/561669501.db2.gz QVKWIDNPNPPLFJ-UHFFFAOYSA-N -1 1 364.833 2.345 20 0 FEADMM C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1=O ZINC000505435403 561671007 /nfs/dbraw/zinc/67/10/07/561671007.db2.gz VIYYIKUDXXYKSP-SWLSCSKDSA-N -1 1 357.385 2.408 20 0 FEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000320496410 553765494 /nfs/dbraw/zinc/76/54/94/553765494.db2.gz XBKVIFDJFPDFGW-UHFFFAOYSA-N -1 1 355.393 2.424 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(OC)c1 ZINC000325639336 553777463 /nfs/dbraw/zinc/77/74/63/553777463.db2.gz WCTYTPMZJPLXMO-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000326350560 553780253 /nfs/dbraw/zinc/78/02/53/553780253.db2.gz YJZSSJCQHAXOGT-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM CCOC(=O)c1cnc(C)c(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c1 ZINC000505731353 561678682 /nfs/dbraw/zinc/67/86/82/561678682.db2.gz LPBKXDZOTJRXBQ-UHFFFAOYSA-N -1 1 358.350 2.311 20 0 FEADMM CC(C)c1nc(C(=O)[N-]c2nn3cnnc3s2)nn1-c1cccc(F)c1 ZINC000605179929 553957889 /nfs/dbraw/zinc/95/78/89/553957889.db2.gz LQNUODAUSJIPTC-UHFFFAOYSA-N -1 1 372.389 2.281 20 0 FEADMM Cn1[n-]c(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1=O ZINC000329561090 553967180 /nfs/dbraw/zinc/96/71/80/553967180.db2.gz GCJDUONCLUOTMD-GFCCVEGCSA-N -1 1 374.832 2.191 20 0 FEADMM Cn1[n-]c(CN2CC(C)(C)N(C)c3cc(Br)ccc32)nc1=O ZINC000330085517 554061842 /nfs/dbraw/zinc/06/18/42/554061842.db2.gz RKDMOTGLHKEKDS-UHFFFAOYSA-N -1 1 366.263 2.106 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc(S(C)(=O)=O)c1 ZINC000507587058 561734143 /nfs/dbraw/zinc/73/41/43/561734143.db2.gz YIFUUWRMSFQPNQ-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(C)cc1 ZINC000507879349 561744394 /nfs/dbraw/zinc/74/43/94/561744394.db2.gz ROAZWKUHQXCHDV-CVEARBPZSA-N -1 1 372.425 2.057 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507919172 561745821 /nfs/dbraw/zinc/74/58/21/561745821.db2.gz QUJWWISABMEPTH-JTQLQIEISA-N -1 1 372.303 2.131 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)s1 ZINC000508075114 561750369 /nfs/dbraw/zinc/75/03/69/561750369.db2.gz WDDBOANWUGJSER-UHFFFAOYSA-N -1 1 367.431 2.409 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N1CCCC[C@H]1C ZINC000330634923 554148626 /nfs/dbraw/zinc/14/86/26/554148626.db2.gz UFWVSNFFIAPSQR-NXEZZACHSA-N -1 1 364.389 2.172 20 0 FEADMM CC(C)[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000330646985 554150505 /nfs/dbraw/zinc/15/05/05/554150505.db2.gz ZNOCWCPDXLKKEH-TZMCWYRMSA-N -1 1 372.487 2.290 20 0 FEADMM CCc1nc(C(=O)N=c2nc(C(F)(F)F)[n-][nH]2)nn1-c1ccccc1F ZINC000607633993 554165063 /nfs/dbraw/zinc/16/50/63/554165063.db2.gz WOYUVQHYXQROIZ-UHFFFAOYSA-N -1 1 369.282 2.358 20 0 FEADMM CN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000330809547 554174289 /nfs/dbraw/zinc/17/42/89/554174289.db2.gz KCLNPABRZFQVOK-UHFFFAOYSA-N -1 1 352.378 2.126 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000330880919 554182383 /nfs/dbraw/zinc/18/23/83/554182383.db2.gz IHVGSGIQGKMTPF-UHFFFAOYSA-N -1 1 353.419 2.348 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000508395170 561761115 /nfs/dbraw/zinc/76/11/15/561761115.db2.gz QLLJVLTYMJXBKN-HNNXBMFYSA-N -1 1 359.401 2.040 20 0 FEADMM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000331253853 554237056 /nfs/dbraw/zinc/23/70/56/554237056.db2.gz WEMPMLKTGAFGHB-SECBINFHSA-N -1 1 371.261 2.132 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2Br)n1 ZINC000331254394 554237075 /nfs/dbraw/zinc/23/70/75/554237075.db2.gz WYTZTOHPWYEYDH-QMMMGPOBSA-N -1 1 360.233 2.488 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C1CC1)c1cc(Br)sc1Cl ZINC000331596427 554291234 /nfs/dbraw/zinc/29/12/34/554291234.db2.gz CMLUJUBLHSVWDX-ZCFIWIBFSA-N -1 1 360.682 2.213 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806831 554323330 /nfs/dbraw/zinc/32/33/30/554323330.db2.gz TVARHSNLCTZMTE-LEWSCRJBSA-N -1 1 372.487 2.146 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)[C@H](O)C3)c2)cc1 ZINC000509342875 561795690 /nfs/dbraw/zinc/79/56/90/561795690.db2.gz NPGWOHZUEFVDDJ-KBXCAEBGSA-N -1 1 374.462 2.249 20 0 FEADMM O=S(=O)([N-]c1ccc2scnc2c1)c1cccc(-n2cnnn2)c1 ZINC000509580427 561805966 /nfs/dbraw/zinc/80/59/66/561805966.db2.gz YUTZMWILNATKQK-UHFFFAOYSA-N -1 1 358.408 2.073 20 0 FEADMM CC(C)CC(=O)Nc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000509935283 561819123 /nfs/dbraw/zinc/81/91/23/561819123.db2.gz SANXLGNWGBYYKA-UHFFFAOYSA-N -1 1 370.409 2.140 20 0 FEADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CNC(=O)c1ncccc1[O-] ZINC000509991307 561821046 /nfs/dbraw/zinc/82/10/46/561821046.db2.gz RLTMIBQCTQPSOV-CYBMUJFWSA-N -1 1 357.410 2.248 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000509989430 561821144 /nfs/dbraw/zinc/82/11/44/561821144.db2.gz DJOOHXGTBRJWMH-SNVBAGLBSA-N -1 1 367.327 2.413 20 0 FEADMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)C1(C)C ZINC000332511453 554459162 /nfs/dbraw/zinc/45/91/62/554459162.db2.gz ZPNXEDGTHLMBOC-UKRRQHHQSA-N -1 1 365.854 2.324 20 0 FEADMM C[C@@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@]2(CCOC2)O1 ZINC000333474403 554616634 /nfs/dbraw/zinc/61/66/34/554616634.db2.gz DSYCCSNPMJFIBY-KUHUBIRLSA-N -1 1 358.417 2.612 20 0 FEADMM O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1csc(=NC2CC2)[n-]1 ZINC000333576525 554625032 /nfs/dbraw/zinc/62/50/32/554625032.db2.gz UZQAUPRWSUSKKA-AWEZNQCLSA-N -1 1 362.499 2.771 20 0 FEADMM CC(C)c1nc([C@H]2CCCCN2C(=O)N=c2nc3n([n-]2)CCCC3)n[nH]1 ZINC000333709724 554635664 /nfs/dbraw/zinc/63/56/64/554635664.db2.gz SSDAEMVVPZDXKK-GFCCVEGCSA-N -1 1 358.450 2.615 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1Cc2ccccc2S1 ZINC000511014823 561853873 /nfs/dbraw/zinc/85/38/73/561853873.db2.gz YJTLMNULYKQARQ-HNNXBMFYSA-N -1 1 354.435 2.385 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cc(=O)[nH]c4ccccc43)no2)co1 ZINC000350398468 554785768 /nfs/dbraw/zinc/78/57/68/554785768.db2.gz QVIZHCDBCOSUPL-UHFFFAOYSA-N -1 1 372.362 2.159 20 0 FEADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)S(=O)(=O)C1CCOCC1 ZINC000350614601 554802601 /nfs/dbraw/zinc/80/26/01/554802601.db2.gz VLRIPYNMBUNGTE-VIFPVBQESA-N -1 1 356.375 2.236 20 0 FEADMM O=C(COCc1nc(-c2ccc([O-])cc2Cl)no1)NCc1cccnc1 ZINC000350815059 554815728 /nfs/dbraw/zinc/81/57/28/554815728.db2.gz MIOYFOBRYNBODX-UHFFFAOYSA-N -1 1 374.784 2.324 20 0 FEADMM CS(=O)(=O)c1nc(-c2nc(-c3ccc([O-])cc3F)no2)c2ccccn21 ZINC000350820292 554816149 /nfs/dbraw/zinc/81/61/49/554816149.db2.gz UGRLASFSGNMEDZ-UHFFFAOYSA-N -1 1 374.353 2.300 20 0 FEADMM COc1cc(-c2nc(CC(=O)Nc3ncccn3)no2)cc(Cl)c1[O-] ZINC000351056535 554833819 /nfs/dbraw/zinc/83/38/19/554833819.db2.gz YGRHHZISEOSFQX-UHFFFAOYSA-N -1 1 361.745 2.075 20 0 FEADMM COC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000511340236 561865739 /nfs/dbraw/zinc/86/57/39/561865739.db2.gz FELNWUKBQMCYSB-UHFFFAOYSA-N -1 1 360.435 2.267 20 0 FEADMM Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)nn1 ZINC000351397105 554854381 /nfs/dbraw/zinc/85/43/81/554854381.db2.gz VMJNIUKTFQETKW-UHFFFAOYSA-N -1 1 363.399 2.172 20 0 FEADMM O=C(CSCc1cccc(Cl)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362101943 554950232 /nfs/dbraw/zinc/95/02/32/554950232.db2.gz HBYQYZPXVSDOEU-LBPRGKRZSA-N -1 1 351.863 2.493 20 0 FEADMM Cn1ccnc1-c1nnc([N-]C(=O)c2csc([C@H]3CCCO3)n2)s1 ZINC000362738473 554985456 /nfs/dbraw/zinc/98/54/56/554985456.db2.gz UVWHPFNBOGVJGT-SECBINFHSA-N -1 1 362.440 2.499 20 0 FEADMM CCc1nc(CN2CCC[C@@H](N(C)C(=O)c3cc(F)ccc3[O-])C2)no1 ZINC000362845780 554992451 /nfs/dbraw/zinc/99/24/51/554992451.db2.gz BWGKKPHUOCRXCP-CYBMUJFWSA-N -1 1 362.405 2.213 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)Oc1ccccc1F ZINC000511896734 561884534 /nfs/dbraw/zinc/88/45/34/561884534.db2.gz OQBVYKCXBXCURV-LBPRGKRZSA-N -1 1 358.373 2.275 20 0 FEADMM CCc1ccc(-c2ccc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)o2)cc1 ZINC000363571433 555139644 /nfs/dbraw/zinc/13/96/44/555139644.db2.gz NDESJDGHGDVETB-MRXNPFEDSA-N -1 1 353.382 2.236 20 0 FEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512013385 561889115 /nfs/dbraw/zinc/88/91/15/561889115.db2.gz ZZAHFXWNILJCNM-HWPZZCPQSA-N -1 1 358.373 2.319 20 0 FEADMM O=C(Nc1ccncc1[O-])c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000512016778 561889316 /nfs/dbraw/zinc/88/93/16/561889316.db2.gz HOLCLKSYFHSSNN-UHFFFAOYSA-N -1 1 355.781 2.325 20 0 FEADMM O=S(=O)([N-]C1CCN(Cc2cscn2)CC1)c1cccc(F)c1F ZINC000363658390 555157041 /nfs/dbraw/zinc/15/70/41/555157041.db2.gz OOYWPDLAPIEGFS-UHFFFAOYSA-N -1 1 373.450 2.364 20 0 FEADMM COC(=O)CC[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1 ZINC000512034661 561889798 /nfs/dbraw/zinc/88/97/98/561889798.db2.gz WDRQZEGPEAIVDC-OAHLLOKOSA-N -1 1 368.393 2.098 20 0 FEADMM CCN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H](COC)Cc1ccccc1 ZINC000512160455 561894644 /nfs/dbraw/zinc/89/46/44/561894644.db2.gz QCNCLFRZKVIWDD-OAHLLOKOSA-N -1 1 368.437 2.394 20 0 FEADMM CCC[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nn[n-]n1 ZINC000363967962 555223618 /nfs/dbraw/zinc/22/36/18/555223618.db2.gz NSQFOWRCRYXKHZ-HNNXBMFYSA-N -1 1 371.445 2.101 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1Br ZINC000616012819 555263466 /nfs/dbraw/zinc/26/34/66/555263466.db2.gz NHXLFCPQRCOJMS-VIFPVBQESA-N -1 1 357.252 2.456 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000364245842 555277637 /nfs/dbraw/zinc/27/76/37/555277637.db2.gz RSVGGIIKLVDHLP-UHFFFAOYSA-N -1 1 374.422 2.298 20 0 FEADMM COC[C@@H]1CCCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000364259256 555280103 /nfs/dbraw/zinc/28/01/03/555280103.db2.gz GIGJXUNWEFLNDX-OAHLLOKOSA-N -1 1 360.458 2.259 20 0 FEADMM CC(=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccccc1C(F)(F)F ZINC000364696806 555377590 /nfs/dbraw/zinc/37/75/90/555377590.db2.gz MQKIBFWBVNVJEE-FROQITRMSA-N -1 1 367.331 2.222 20 0 FEADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000364801633 555407282 /nfs/dbraw/zinc/40/72/82/555407282.db2.gz DJLMJFMDNLDBBT-CQDKDKBSSA-N -1 1 363.439 2.133 20 0 FEADMM O=C(Cc1ccc(-n2cnnn2)cc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617365638 555426959 /nfs/dbraw/zinc/42/69/59/555426959.db2.gz CWVBIQBYDCVJFD-UHFFFAOYSA-N -1 1 351.395 2.295 20 0 FEADMM O=S(=O)([N-]C1CCN(Cc2cscn2)CC1)c1cc(F)ccc1F ZINC000365107086 555487023 /nfs/dbraw/zinc/48/70/23/555487023.db2.gz YENMHIODNIBECD-UHFFFAOYSA-N -1 1 373.450 2.364 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC[C@H]3CC[C@H](C)O3)CC2)n1 ZINC000365629878 555627012 /nfs/dbraw/zinc/62/70/12/555627012.db2.gz SXXCBFARZDRCQB-GXTWGEPZSA-N -1 1 364.446 2.035 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000366548191 555873448 /nfs/dbraw/zinc/87/34/48/555873448.db2.gz RTBTYZZHFHKLQD-MEBBXXQBSA-N -1 1 356.216 2.175 20 0 FEADMM COc1cccc(C2(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)CCCC2)c1 ZINC000366711912 555915805 /nfs/dbraw/zinc/91/58/05/555915805.db2.gz SSGHMCJQMUWENQ-CQSZACIVSA-N -1 1 355.442 2.426 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](C3CCOCC3)C2)c(=O)[n-]1 ZINC000366792721 555935143 /nfs/dbraw/zinc/93/51/43/555935143.db2.gz AFKKLXIAKGAKFI-AWEZNQCLSA-N -1 1 365.499 2.420 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)N[C@H](CCO)c3ccc(Cl)cc3)ccnc1-2 ZINC000806481653 674378570 /nfs/dbraw/zinc/37/85/70/674378570.db2.gz HTAVPPAMBQMOEQ-CQSZACIVSA-N -1 1 359.817 2.240 20 0 FEADMM O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1c(F)ccc([O-])c1F ZINC000367394671 556037179 /nfs/dbraw/zinc/03/71/79/556037179.db2.gz QJYGXFQUXSGXTK-ZDUSSCGKSA-N -1 1 364.323 2.340 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000368152399 556231326 /nfs/dbraw/zinc/23/13/26/556231326.db2.gz PVOBDPGMTODRDF-DGCLKSJQSA-N -1 1 371.817 2.237 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@](CO)(c4ccccc4)C3)cnc2n1 ZINC000368289362 556269253 /nfs/dbraw/zinc/26/92/53/556269253.db2.gz XXIAQJAUHHRHRQ-OAQYLSRUSA-N -1 1 363.417 2.420 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@@](CO)(c4ccccc4)C3)c[n-]c2n1 ZINC000368289362 556269256 /nfs/dbraw/zinc/26/92/56/556269256.db2.gz XXIAQJAUHHRHRQ-OAQYLSRUSA-N -1 1 363.417 2.420 20 0 FEADMM O=C(NCCCCO)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368472751 556320533 /nfs/dbraw/zinc/32/05/33/556320533.db2.gz AIUQCGABIZEJRW-KRWDZBQOSA-N -1 1 356.422 2.039 20 0 FEADMM CCOCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368839327 556426478 /nfs/dbraw/zinc/42/64/78/556426478.db2.gz TVIQJGNEEDNTID-QGZVFWFLSA-N -1 1 356.422 2.303 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@H](O)C1 ZINC000368861322 556432052 /nfs/dbraw/zinc/43/20/52/556432052.db2.gz VJBGXCFOWRTDFC-MAUKXSAKSA-N -1 1 368.433 2.133 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1OC ZINC000515629463 562017629 /nfs/dbraw/zinc/01/76/29/562017629.db2.gz CHQVGCAAXCSNIU-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369092808 556503278 /nfs/dbraw/zinc/50/32/78/556503278.db2.gz QXNJAYGVQZDBSE-UTEYVOQOSA-N -1 1 365.796 2.203 20 0 FEADMM Cc1ccc(CCNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000516097574 562030627 /nfs/dbraw/zinc/03/06/27/562030627.db2.gz NKLJEVJVDXVVJX-UHFFFAOYSA-N -1 1 352.394 2.355 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCCc3ccccc3Br)ccnc1-2 ZINC000806486782 674378817 /nfs/dbraw/zinc/37/88/17/674378817.db2.gz GXOYSBKSINXERV-UHFFFAOYSA-N -1 1 374.242 2.469 20 0 FEADMM COCCCCS(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000370439951 556873874 /nfs/dbraw/zinc/87/38/74/556873874.db2.gz VUOXPVICUVPFNC-UHFFFAOYSA-N -1 1 355.456 2.043 20 0 FEADMM COC(=O)c1c[n-]c(SC[C@@H]2Cn3c(nnc3-c3cccnc3)S2)n1 ZINC000370605836 556920640 /nfs/dbraw/zinc/92/06/40/556920640.db2.gz DPUWFBXVYKHAFU-JTQLQIEISA-N -1 1 374.451 2.116 20 0 FEADMM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000370723007 556949089 /nfs/dbraw/zinc/94/90/89/556949089.db2.gz QVJWCPDLNOATFI-MRXNPFEDSA-N -1 1 371.437 2.487 20 0 FEADMM O=C(c1cccc(Oc2ccccc2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370852003 556990336 /nfs/dbraw/zinc/99/03/36/556990336.db2.gz CASFDNYEROGBTF-INIZCTEOSA-N -1 1 351.366 2.206 20 0 FEADMM Cc1cccc(C2(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)CCCCC2)c1 ZINC000370859975 556993729 /nfs/dbraw/zinc/99/37/29/556993729.db2.gz INMWIFQHDJBMEF-MRXNPFEDSA-N -1 1 355.442 2.310 20 0 FEADMM CCCCN(CC)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000370863655 556995136 /nfs/dbraw/zinc/99/51/36/556995136.db2.gz XJOGWNJFTGHDMO-MRXNPFEDSA-N -1 1 358.446 2.040 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCN(c2ccc(F)cn2)CC1 ZINC000371425250 557182738 /nfs/dbraw/zinc/18/27/38/557182738.db2.gz KXGMYOYUFWZFHF-UHFFFAOYSA-N -1 1 352.369 2.437 20 0 FEADMM CC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nnc2n1CCCCC2 ZINC000517640570 562094384 /nfs/dbraw/zinc/09/43/84/562094384.db2.gz HCRKBFBKTOYKRD-CYBMUJFWSA-N -1 1 366.425 2.122 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1C[C@]12CCOc1ccccc12 ZINC000371827688 557304766 /nfs/dbraw/zinc/30/47/66/557304766.db2.gz ZBWBLUNMFCWNDJ-UGSOOPFHSA-N -1 1 357.435 2.435 20 0 FEADMM COCc1nsc(=N[C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)[n-]1 ZINC000371864208 557314388 /nfs/dbraw/zinc/31/43/88/557314388.db2.gz WQLLOHNJYAXGHF-MFKMUULPSA-N -1 1 353.517 2.194 20 0 FEADMM Cc1cnc(C(=O)N(CC(=O)OC(C)(C)C)C2CCOCC2)c([O-])c1 ZINC000518380441 562110070 /nfs/dbraw/zinc/11/00/70/562110070.db2.gz ZJPKSXLNPODOAK-UHFFFAOYSA-N -1 1 350.415 2.059 20 0 FEADMM CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000371887373 557320239 /nfs/dbraw/zinc/32/02/39/557320239.db2.gz FYPPZJHJEAFLJW-PBHICJAKSA-N -1 1 356.422 2.037 20 0 FEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000518542049 562114017 /nfs/dbraw/zinc/11/40/17/562114017.db2.gz ILMIEKOSXGPNTL-QGZVFWFLSA-N -1 1 363.458 2.132 20 0 FEADMM CCCN(CCC)C(=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000518671220 562116214 /nfs/dbraw/zinc/11/62/14/562116214.db2.gz UMQRRFYEWMNDDS-UHFFFAOYSA-N -1 1 370.519 2.350 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000518796564 562118818 /nfs/dbraw/zinc/11/88/18/562118818.db2.gz PCDYKVQKKOZUCD-UHFFFAOYSA-N -1 1 354.819 2.056 20 0 FEADMM CCC(CC)N(CC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000518826099 562119336 /nfs/dbraw/zinc/11/93/36/562119336.db2.gz TXKHRCQQZMFHEZ-UHFFFAOYSA-N -1 1 366.480 2.396 20 0 FEADMM O=S(=O)(Cc1cccc(F)c1)[N-]c1cnn(-c2ncccc2F)c1 ZINC000372291933 557431801 /nfs/dbraw/zinc/43/18/01/557431801.db2.gz SYNPXWXCPGZADV-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM COc1ccc2c(c1)CCN(C(=O)c1c(C)[n-]c(=O)nc1SC)CC2 ZINC000372503983 557487392 /nfs/dbraw/zinc/48/73/92/557487392.db2.gz LMKPJOZIILWMKU-UHFFFAOYSA-N -1 1 359.451 2.462 20 0 FEADMM COc1ccc(Cl)cc1CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000519546906 562134296 /nfs/dbraw/zinc/13/42/96/562134296.db2.gz DLXXSHMXYPRDKU-UHFFFAOYSA-N -1 1 351.790 2.386 20 0 FEADMM CO[C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000372686345 557537244 /nfs/dbraw/zinc/53/72/44/557537244.db2.gz XHQJVACHGXTIRR-CXAGYDPISA-N -1 1 356.422 2.301 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000519681116 562139496 /nfs/dbraw/zinc/13/94/96/562139496.db2.gz LBSBTVFMHGIJSU-NSHDSACASA-N -1 1 354.350 2.124 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)co1 ZINC000372880154 557581305 /nfs/dbraw/zinc/58/13/05/557581305.db2.gz JZDKVIVAKQLFGX-HNNXBMFYSA-N -1 1 366.414 2.174 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)co1 ZINC000372880156 557581394 /nfs/dbraw/zinc/58/13/94/557581394.db2.gz JZDKVIVAKQLFGX-OAHLLOKOSA-N -1 1 366.414 2.174 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)cc1 ZINC000373086190 557625313 /nfs/dbraw/zinc/62/53/13/557625313.db2.gz AZUYCKMKFUVYRS-UHFFFAOYSA-N -1 1 374.422 2.298 20 0 FEADMM Cc1ccc(-c2cnccn2)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000373516639 557709875 /nfs/dbraw/zinc/70/98/75/557709875.db2.gz AHRLUNXPZDKGRA-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c(C(F)(F)F)n1 ZINC000520542339 562158649 /nfs/dbraw/zinc/15/86/49/562158649.db2.gz HFYXOWWIHNNWQD-UHFFFAOYSA-N -1 1 369.315 2.238 20 0 FEADMM C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000373909109 557784620 /nfs/dbraw/zinc/78/46/20/557784620.db2.gz ZNPQMNOXXFNWGK-PGBBXINNSA-N -1 1 373.501 2.163 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC000520662094 562161216 /nfs/dbraw/zinc/16/12/16/562161216.db2.gz QVSLOLKELZIDGN-UHFFFAOYSA-N -1 1 368.846 2.231 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1cn(C)c2cc(Cl)ccc12 ZINC000520662094 562161217 /nfs/dbraw/zinc/16/12/17/562161217.db2.gz QVSLOLKELZIDGN-UHFFFAOYSA-N -1 1 368.846 2.231 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(OCC2CC2)CC1 ZINC000374122442 557827253 /nfs/dbraw/zinc/82/72/53/557827253.db2.gz QKGJUIMYALMEEB-UHFFFAOYSA-N -1 1 372.469 2.402 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCN(c3ccccc3)C1=O)c2=O ZINC000521037671 562168147 /nfs/dbraw/zinc/16/81/47/562168147.db2.gz VVXBOYWKVGDWQX-INIZCTEOSA-N -1 1 362.389 2.179 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)cnc2n1 ZINC000521037671 562168148 /nfs/dbraw/zinc/16/81/48/562168148.db2.gz VVXBOYWKVGDWQX-INIZCTEOSA-N -1 1 362.389 2.179 20 0 FEADMM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000374179024 557838087 /nfs/dbraw/zinc/83/80/87/557838087.db2.gz ZUJIWSIWYCHHPK-FQEVSTJZSA-N -1 1 372.421 2.372 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(c3ccc(F)cc3)C2)o1 ZINC000374203156 557842814 /nfs/dbraw/zinc/84/28/14/557842814.db2.gz CDAIXIZYAFBAAY-INIZCTEOSA-N -1 1 370.377 2.038 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4n[nH]c(=O)[n-]4)C3)n[nH]2)cc1 ZINC000521214873 562171933 /nfs/dbraw/zinc/17/19/33/562171933.db2.gz YRHVRQQFDPHKSU-ZDUSSCGKSA-N -1 1 352.398 2.229 20 0 FEADMM Cc1nc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)sc1C ZINC000375103498 557978546 /nfs/dbraw/zinc/97/85/46/557978546.db2.gz XJWRBVNBZKHASQ-UHFFFAOYSA-N -1 1 360.370 2.200 20 0 FEADMM C[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000375223562 557994228 /nfs/dbraw/zinc/99/42/28/557994228.db2.gz DKEGPSJPKVCOQV-CYBMUJFWSA-N -1 1 352.456 2.016 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375578146 558051750 /nfs/dbraw/zinc/05/17/50/558051750.db2.gz NZGLIQVJWGKRJD-CJNGLKHVSA-N -1 1 366.483 2.223 20 0 FEADMM O=c1cc(CN2CCNC(=O)[C@@H]2c2cccs2)c2ccc([O-])cc2o1 ZINC000376179274 558137202 /nfs/dbraw/zinc/13/72/02/558137202.db2.gz ZGMPBJQDASVSAF-KRWDZBQOSA-N -1 1 356.403 2.233 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376221327 558143691 /nfs/dbraw/zinc/14/36/91/558143691.db2.gz UGXBHJJVWYETBU-TZMCWYRMSA-N -1 1 356.216 2.175 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Cl)c1[O-] ZINC000376304293 558154985 /nfs/dbraw/zinc/15/49/85/558154985.db2.gz DIPLWVJISJQWML-STQMWFEESA-N -1 1 354.834 2.037 20 0 FEADMM O=C(N=c1[n-]nc(C(F)(F)F)s1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000376368846 558163918 /nfs/dbraw/zinc/16/39/18/558163918.db2.gz OOZPZCNXAVEYOE-QMMMGPOBSA-N -1 1 369.332 2.586 20 0 FEADMM Cc1cc2c(o1)c(C(=O)NC1(c3nn[n-]n3)CC1)ccc2Br ZINC000521718248 562182753 /nfs/dbraw/zinc/18/27/53/562182753.db2.gz VZMJKDMRKNFNRB-UHFFFAOYSA-N -1 1 362.187 2.436 20 0 FEADMM C[C@H](OCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1nccn1C ZINC000376619516 558198763 /nfs/dbraw/zinc/19/87/63/558198763.db2.gz WYELVGLAKAGRJO-AWEZNQCLSA-N -1 1 371.437 2.325 20 0 FEADMM O=C1N=NCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000376883382 558233567 /nfs/dbraw/zinc/23/35/67/558233567.db2.gz ZHJGQFNQYXUAGR-UHFFFAOYSA-N -1 1 372.406 2.099 20 0 FEADMM CCOCCO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000376938837 558241813 /nfs/dbraw/zinc/24/18/13/558241813.db2.gz FIXCUVBXTTVPFU-HOCLYGCPSA-N -1 1 354.834 2.334 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000377162667 558279131 /nfs/dbraw/zinc/27/91/31/558279131.db2.gz MYBSLGDFWDURGN-LLVKDONJSA-N -1 1 363.414 2.077 20 0 FEADMM CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377484768 558348712 /nfs/dbraw/zinc/34/87/12/558348712.db2.gz MFYUKESJODARPO-UHFFFAOYSA-N -1 1 371.485 2.437 20 0 FEADMM O=C(N[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1)C1CCC1 ZINC000377575702 558369144 /nfs/dbraw/zinc/36/91/44/558369144.db2.gz RTFQXRHWGBQCFY-LBPRGKRZSA-N -1 1 367.243 2.286 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CC[C@]4(C3)CCc3ccccc3O4)ccnc1-2 ZINC000377859441 558436145 /nfs/dbraw/zinc/43/61/45/558436145.db2.gz HKJDDQXAHHHSQM-NGIIGVMLSA-N -1 1 363.421 2.343 20 0 FEADMM COCCn1ncc2c1[C@H](NC(=O)c1c(F)ccc([O-])c1F)CCC2 ZINC000377863098 558437329 /nfs/dbraw/zinc/43/73/29/558437329.db2.gz CCMITFQUUOSILW-GFCCVEGCSA-N -1 1 351.353 2.321 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)ccc1OC ZINC000523530062 562214711 /nfs/dbraw/zinc/21/47/11/562214711.db2.gz YHBHRQNWAXUOBG-UHFFFAOYSA-N -1 1 361.379 2.159 20 0 FEADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1 ZINC000523288460 562210604 /nfs/dbraw/zinc/21/06/04/562210604.db2.gz UHNJQZJGWDVLOE-UHFFFAOYSA-N -1 1 364.423 2.131 20 0 FEADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(-c2ncccn2)s1 ZINC000523345190 562211458 /nfs/dbraw/zinc/21/14/58/562211458.db2.gz VYLUDRKKXUUXBL-UHFFFAOYSA-N -1 1 363.406 2.492 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2C[C@@H]1O)c1c(Cl)ccnc1Cl ZINC000378471724 558565016 /nfs/dbraw/zinc/56/50/16/558565016.db2.gz FSNQVVVWBNBMFW-RYUDHWBXSA-N -1 1 359.234 2.325 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000378513181 558573101 /nfs/dbraw/zinc/57/31/01/558573101.db2.gz AREGWNPYLAWGTA-AWEZNQCLSA-N -1 1 354.414 2.071 20 0 FEADMM CC(C)(O)c1cn(C2CN(C(=O)c3ccc4ccccc4c3[O-])C2)nn1 ZINC000378529707 558576107 /nfs/dbraw/zinc/57/61/07/558576107.db2.gz BZTCQSFPZZLHHM-UHFFFAOYSA-N -1 1 352.394 2.061 20 0 FEADMM FC(F)(F)c1nsc(=NC[C@@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC000382492039 558604029 /nfs/dbraw/zinc/60/40/29/558604029.db2.gz KRSUOGOENDOLKN-GFCCVEGCSA-N -1 1 358.389 2.292 20 0 FEADMM C[C@@H](CCCO)CNC(=O)c1ccc(I)c([O-])c1 ZINC000384365314 558605882 /nfs/dbraw/zinc/60/58/82/558605882.db2.gz GTLHFJOCEVQDON-VIFPVBQESA-N -1 1 363.195 2.135 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000391858938 558615286 /nfs/dbraw/zinc/61/52/86/558615286.db2.gz NBTRLIQXAGBSMP-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)o2)CCCC[C@@H]1O ZINC000408215961 558657507 /nfs/dbraw/zinc/65/75/07/558657507.db2.gz VHBWOVKGUUMAJN-CABZTGNLSA-N -1 1 352.250 2.262 20 0 FEADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410359888 558753304 /nfs/dbraw/zinc/75/33/04/558753304.db2.gz OMFPVRIPONYCAP-UHFFFAOYSA-N -1 1 352.799 2.442 20 0 FEADMM COCC[C@@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000412465340 559037491 /nfs/dbraw/zinc/03/74/91/559037491.db2.gz QOUYVDZQTWONSN-SECBINFHSA-N -1 1 363.195 2.399 20 0 FEADMM Cc1nn(-c2cccc(F)c2)cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000413467012 559109972 /nfs/dbraw/zinc/10/99/72/559109972.db2.gz BNTHKDUYUTYWDS-UHFFFAOYSA-N -1 1 355.377 2.032 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](O)C(C)C ZINC000413979708 559144924 /nfs/dbraw/zinc/14/49/24/559144924.db2.gz QTGIAKDEQVNQNB-AEFFLSMTSA-N -1 1 372.469 2.397 20 0 FEADMM COC(=O)[C@@H]1CSCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000414042618 559148550 /nfs/dbraw/zinc/14/85/50/559148550.db2.gz OIJWKPYFLHKAFX-JTQLQIEISA-N -1 1 359.831 2.032 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000414453416 559164706 /nfs/dbraw/zinc/16/47/06/559164706.db2.gz OWPRPSQIZRZXCA-UHFFFAOYSA-N -1 1 363.212 2.378 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000416155327 559295004 /nfs/dbraw/zinc/29/50/04/559295004.db2.gz LZNFWFHYBLEMEH-BPCQOVAHSA-N -1 1 365.430 2.096 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000416173681 559296277 /nfs/dbraw/zinc/29/62/77/559296277.db2.gz DBJWHGUUNRCFRD-NSHDSACASA-N -1 1 370.365 2.405 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000416188205 559297090 /nfs/dbraw/zinc/29/70/90/559297090.db2.gz HVDGECMMVNWUGT-ZDUSSCGKSA-N -1 1 359.357 2.401 20 0 FEADMM CCOc1ccc(C2=CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CC2)cc1 ZINC000416194459 559297609 /nfs/dbraw/zinc/29/76/09/559297609.db2.gz TUZMGDGYLUWTQB-UHFFFAOYSA-N -1 1 371.393 2.225 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCCc1ccc(Cl)s1 ZINC000416239206 559300321 /nfs/dbraw/zinc/30/03/21/559300321.db2.gz HCLYORFNCIMRGJ-UHFFFAOYSA-N -1 1 357.819 2.364 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccccc1 ZINC000416411317 559311044 /nfs/dbraw/zinc/31/10/44/559311044.db2.gz JEMFLOBMZMWJIK-QGZVFWFLSA-N -1 1 369.483 2.417 20 0 FEADMM CCc1ncc(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)o1 ZINC000416496604 559317673 /nfs/dbraw/zinc/31/76/73/559317673.db2.gz PTLOXDBARXEQHD-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1sccc1Br ZINC000416575865 559322923 /nfs/dbraw/zinc/32/29/23/559322923.db2.gz CCAHXBFIIOLHSD-SECBINFHSA-N -1 1 368.274 2.131 20 0 FEADMM CN(C)C(=O)C1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000416576900 559322961 /nfs/dbraw/zinc/32/29/61/559322961.db2.gz AYTAEROALSZDDT-UHFFFAOYSA-N -1 1 358.872 2.454 20 0 FEADMM FC(F)(F)c1[n-]c(=NCCN2CCOCC2)sc1Br ZINC000418812682 559417197 /nfs/dbraw/zinc/41/71/97/559417197.db2.gz RSWFFGNTPXETMX-UHFFFAOYSA-N -1 1 360.199 2.669 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1)OC ZINC000420684525 559497786 /nfs/dbraw/zinc/49/77/86/559497786.db2.gz DBZDUTGDLFGYMD-IRXDYDNUSA-N -1 1 365.451 2.398 20 0 FEADMM COC1([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)CCOCC1 ZINC000420769868 559503448 /nfs/dbraw/zinc/50/34/48/559503448.db2.gz YSTJBAYSWWKNIA-JTQLQIEISA-N -1 1 351.827 2.342 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@]2(C)CC2(F)F)c1 ZINC000421798051 559553891 /nfs/dbraw/zinc/55/38/91/559553891.db2.gz XJHVPXFXKNNSQU-AWEZNQCLSA-N -1 1 362.398 2.407 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C[C@H](CC)O1 ZINC000421966142 559558406 /nfs/dbraw/zinc/55/84/06/559558406.db2.gz ZEACFQLZPWLOBL-IYBDPMFKSA-N -1 1 370.453 2.099 20 0 FEADMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1C ZINC000424070039 559653534 /nfs/dbraw/zinc/65/35/34/559653534.db2.gz WVKDPIVOEDCCMR-UHFFFAOYSA-N -1 1 373.818 2.287 20 0 FEADMM COc1ccc(Cn2cc([N-]S(=O)(=O)CCOCC3CC3)cn2)cc1 ZINC000424071907 559653706 /nfs/dbraw/zinc/65/37/06/559653706.db2.gz VZYKEZBEZRBZCW-UHFFFAOYSA-N -1 1 365.455 2.108 20 0 FEADMM CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424257887 559659662 /nfs/dbraw/zinc/65/96/62/559659662.db2.gz KZXPUNGVERVCCE-AWEZNQCLSA-N -1 1 373.453 2.470 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000424549799 559669080 /nfs/dbraw/zinc/66/90/80/559669080.db2.gz WTPHZOLPQOFBPS-OYLFLEFRSA-N -1 1 366.508 2.283 20 0 FEADMM O=C(CCc1cccc(OC(F)F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000424673066 559673161 /nfs/dbraw/zinc/67/31/61/559673161.db2.gz JKQXCYRFHXCUQV-UHFFFAOYSA-N -1 1 351.357 2.319 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000424760018 559675796 /nfs/dbraw/zinc/67/57/96/559675796.db2.gz UTXUTUBLXMHLHM-VWLOTQADSA-N -1 1 361.467 2.241 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H]3O)c2)c1 ZINC000425061812 559685950 /nfs/dbraw/zinc/68/59/50/559685950.db2.gz QZDKFCMBARVXMP-QZTJIDSGSA-N -1 1 374.462 2.357 20 0 FEADMM C[C@H](N=c1ccc(N2CCN(c3cnccn3)CC2)n[n-]1)c1ccccc1 ZINC000425210451 559691332 /nfs/dbraw/zinc/69/13/32/559691332.db2.gz RDZVPHUKLAMUJV-INIZCTEOSA-N -1 1 361.453 2.766 20 0 FEADMM O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300033 559695404 /nfs/dbraw/zinc/69/54/04/559695404.db2.gz KYRCIAHFOHOQTJ-SNVBAGLBSA-N -1 1 360.395 2.440 20 0 FEADMM COCCCOc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425299331 559695476 /nfs/dbraw/zinc/69/54/76/559695476.db2.gz KBTYAMALBSWIGI-AWEZNQCLSA-N -1 1 361.398 2.210 20 0 FEADMM O=C([C@@H]1CCN(c2ccccc2F)C1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425310535 559695938 /nfs/dbraw/zinc/69/59/38/559695938.db2.gz XLFPGKULLJGNHJ-QWHCGFSZSA-N -1 1 360.389 2.147 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)s1 ZINC000425329394 559697151 /nfs/dbraw/zinc/69/71/51/559697151.db2.gz ZIAGIIAZIXXQKA-SECBINFHSA-N -1 1 352.416 2.349 20 0 FEADMM CC(C)c1nnc([C@H]2CCCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)[nH]1 ZINC000426096849 559729199 /nfs/dbraw/zinc/72/91/99/559729199.db2.gz AIEOJHVMOZDCRO-CYBMUJFWSA-N -1 1 369.429 2.283 20 0 FEADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000427132810 559748708 /nfs/dbraw/zinc/74/87/08/559748708.db2.gz HMMBCGRNVYOVBK-UHFFFAOYSA-N -1 1 351.380 2.126 20 0 FEADMM Cc1cnc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000427541380 559757685 /nfs/dbraw/zinc/75/76/85/559757685.db2.gz PVFIUEHNHMKZCR-SUMWQHHRSA-N -1 1 361.348 2.076 20 0 FEADMM Cc1cnc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1 ZINC000427667513 559760098 /nfs/dbraw/zinc/76/00/98/559760098.db2.gz CGZHKTKOZSQACL-LBPRGKRZSA-N -1 1 366.826 2.350 20 0 FEADMM C[C@@H]1CC[C@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000428391890 559774570 /nfs/dbraw/zinc/77/45/70/559774570.db2.gz HXEDIJMLRVFIGA-PWSUYJOCSA-N -1 1 364.464 2.006 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2CCC(C)(C)O2)cc1[N-]S(C)(=O)=O ZINC000429318709 559795817 /nfs/dbraw/zinc/79/58/17/559795817.db2.gz RZVQNJPJXMUIIZ-LBPRGKRZSA-N -1 1 371.459 2.146 20 0 FEADMM NC(=O)c1csc(=N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[n-]1 ZINC000432154027 559853018 /nfs/dbraw/zinc/85/30/18/559853018.db2.gz NYZZQQBHUCHMNL-VIFPVBQESA-N -1 1 371.249 2.766 20 0 FEADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000432201186 559854037 /nfs/dbraw/zinc/85/40/37/559854037.db2.gz JIIGPRAOTIFCCK-UHFFFAOYSA-N -1 1 364.423 2.002 20 0 FEADMM CN1CC[C@@H](N=c2[n-]c(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000432323147 559856315 /nfs/dbraw/zinc/85/63/15/559856315.db2.gz PGBVHMXQFUTJQD-YPMHNXCESA-N -1 1 354.838 2.892 20 0 FEADMM CCC[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)C(=O)OCC ZINC000433474947 559882685 /nfs/dbraw/zinc/88/26/85/559882685.db2.gz NJELPCRGGVEJRZ-SECBINFHSA-N -1 1 368.249 2.300 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCc3ccoc3)c2)n1 ZINC000434265017 559896598 /nfs/dbraw/zinc/89/65/98/559896598.db2.gz SVCGIMJRECBYHW-UHFFFAOYSA-N -1 1 369.381 2.241 20 0 FEADMM O=c1c2ccccc2nc(SCc2nn[n-]n2)n1Cc1ccccc1 ZINC000435178556 559917664 /nfs/dbraw/zinc/91/76/64/559917664.db2.gz UQTVVPYEKPYNOM-UHFFFAOYSA-N -1 1 350.407 2.250 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000436151398 559936123 /nfs/dbraw/zinc/93/61/23/559936123.db2.gz DWJUKBCHOPUHAK-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)ccc1OC ZINC000436161584 559936534 /nfs/dbraw/zinc/93/65/34/559936534.db2.gz LDCLXWXPZHXJRM-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2nc(CC)cc(=O)[n-]2)C1 ZINC000436207502 559937534 /nfs/dbraw/zinc/93/75/34/559937534.db2.gz IGNMPCFLEZUOLU-RYUDHWBXSA-N -1 1 367.471 2.027 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NCCOc2ccc(F)cc2)n1 ZINC000436209099 559937677 /nfs/dbraw/zinc/93/76/77/559937677.db2.gz LJRRBSYDZUMUOX-UHFFFAOYSA-N -1 1 351.403 2.171 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000436236257 559938242 /nfs/dbraw/zinc/93/82/42/559938242.db2.gz BLZOJZXRXGHLCJ-JTQLQIEISA-N -1 1 363.399 2.025 20 0 FEADMM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc4c3CCC4)cn2n1 ZINC000436479913 559942648 /nfs/dbraw/zinc/94/26/48/559942648.db2.gz WAXLNTUZQZNIOE-UHFFFAOYSA-N -1 1 372.406 2.025 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1 ZINC000436501850 559943292 /nfs/dbraw/zinc/94/32/92/559943292.db2.gz AWZOLNOECUVTRD-OAHLLOKOSA-N -1 1 360.366 2.165 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CNC(=O)CCc2ccc(C)cc2)c1 ZINC000436512092 559943963 /nfs/dbraw/zinc/94/39/63/559943963.db2.gz XUFPBOVRCYQMCG-UHFFFAOYSA-N -1 1 370.405 2.175 20 0 FEADMM CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436539443 559944894 /nfs/dbraw/zinc/94/48/94/559944894.db2.gz YIIOFTPHOIVEOS-QGZVFWFLSA-N -1 1 356.422 2.255 20 0 FEADMM COC1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436545071 559945059 /nfs/dbraw/zinc/94/50/59/559945059.db2.gz GDAUYYRPIKDAJP-UHFFFAOYSA-N -1 1 362.332 2.394 20 0 FEADMM CN(C)c1ncc(CN(C)C(=O)c2cc(Br)ccc2[O-])cn1 ZINC000436568506 559945674 /nfs/dbraw/zinc/94/56/74/559945674.db2.gz UCVYOHYYZZSRJZ-UHFFFAOYSA-N -1 1 365.231 2.283 20 0 FEADMM COC(=O)c1cc(NC(=O)c2ccc(OC)cc2[O-])c(OC)c(OC)c1 ZINC000436591500 559946172 /nfs/dbraw/zinc/94/61/72/559946172.db2.gz QKUUWNLODTWKEZ-UHFFFAOYSA-N -1 1 361.350 2.457 20 0 FEADMM COC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C(=O)OC ZINC000436594409 559946271 /nfs/dbraw/zinc/94/62/71/559946271.db2.gz FBUDTJXFQKCQBR-YOEHRIQHSA-N -1 1 371.389 2.112 20 0 FEADMM CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436656502 559947946 /nfs/dbraw/zinc/94/79/46/559947946.db2.gz GNNQZEWBQRAKRW-UHFFFAOYSA-N -1 1 355.394 2.421 20 0 FEADMM Cc1c(NC(=O)c2ccc([O-])cc2F)ccc(F)c1N1C(=O)CNC1=O ZINC000436669714 559948419 /nfs/dbraw/zinc/94/84/19/559948419.db2.gz BKLPCHYBAUTEJU-UHFFFAOYSA-N -1 1 361.304 2.287 20 0 FEADMM O=C(Nc1ccncc1I)c1ccc([O-])cc1F ZINC000436704159 559949314 /nfs/dbraw/zinc/94/93/14/559949314.db2.gz JFQGHDCFEWZCFO-UHFFFAOYSA-N -1 1 358.110 2.205 20 0 FEADMM CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(Br)cc1[O-] ZINC000436707425 559949675 /nfs/dbraw/zinc/94/96/75/559949675.db2.gz RNBBKRSOXJHYPJ-SNVBAGLBSA-N -1 1 357.248 2.437 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccnc(NC(=O)C(C)C)c2)c1 ZINC000436721744 559950025 /nfs/dbraw/zinc/95/00/25/559950025.db2.gz HUXRSGANGZCIJC-UHFFFAOYSA-N -1 1 357.366 2.421 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436725913 559950258 /nfs/dbraw/zinc/95/02/58/559950258.db2.gz WBWLLJPUAZZHHO-CXAGYDPISA-N -1 1 355.390 2.112 20 0 FEADMM COc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1N1CCCC1=O ZINC000436765094 559951227 /nfs/dbraw/zinc/95/12/27/559951227.db2.gz OZFKXLLTEOGGIT-UHFFFAOYSA-N -1 1 354.362 2.349 20 0 FEADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cccc1N1C(=O)N[C@H](C)C1=O ZINC000436782321 559951864 /nfs/dbraw/zinc/95/18/64/559951864.db2.gz XCZFDDFCTWLLMR-SNVBAGLBSA-N -1 1 355.350 2.103 20 0 FEADMM CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC000436795266 559952306 /nfs/dbraw/zinc/95/23/06/559952306.db2.gz QIQHVNZJZKBNGE-CYBMUJFWSA-N -1 1 362.451 2.041 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)ccc1O ZINC000436813591 559952951 /nfs/dbraw/zinc/95/29/51/559952951.db2.gz IENUCQNTFJOIEH-UHFFFAOYSA-N -1 1 369.370 2.328 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)ccc1O ZINC000436863119 559954792 /nfs/dbraw/zinc/95/47/92/559954792.db2.gz JBBIUTXFOBUDFO-UHFFFAOYSA-N -1 1 360.391 2.471 20 0 FEADMM O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)C(=O)c1ccc([O-])cc1 ZINC000436887447 559955327 /nfs/dbraw/zinc/95/53/27/559955327.db2.gz JWQNHHVYNSDZFY-UHFFFAOYSA-N -1 1 366.373 2.253 20 0 FEADMM COC(=O)c1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000436916868 559956466 /nfs/dbraw/zinc/95/64/66/559956466.db2.gz VYBWUYZSJBOPTB-UHFFFAOYSA-N -1 1 358.350 2.398 20 0 FEADMM O=C(NCCOc1cccc(C(F)(F)F)n1)C(=O)c1ccc([O-])cc1 ZINC000436975284 559958132 /nfs/dbraw/zinc/95/81/32/559958132.db2.gz JEODTCMVPYQYTK-UHFFFAOYSA-N -1 1 354.284 2.184 20 0 FEADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000436999389 559959188 /nfs/dbraw/zinc/95/91/88/559959188.db2.gz LFVKXXBLRJDMAJ-MRXNPFEDSA-N -1 1 372.808 2.492 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)o1 ZINC000437305077 559963151 /nfs/dbraw/zinc/96/31/51/559963151.db2.gz FBZUMLJDTDHUES-USBNGQNGSA-N -1 1 365.407 2.298 20 0 FEADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)ccn1 ZINC000437332517 559963584 /nfs/dbraw/zinc/96/35/84/559963584.db2.gz KAMVQFHUBMKVNQ-UHFFFAOYSA-N -1 1 361.467 2.304 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c1C ZINC000438246741 559976184 /nfs/dbraw/zinc/97/61/84/559976184.db2.gz MLNXIDOMANPSCE-UHFFFAOYSA-N -1 1 355.391 2.315 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)cc1 ZINC000438763470 559983234 /nfs/dbraw/zinc/98/32/34/559983234.db2.gz GZSAUAHZAUSWAP-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cn1 ZINC000438774921 559983549 /nfs/dbraw/zinc/98/35/49/559983549.db2.gz PAMNGMYMYNORGJ-UHFFFAOYSA-N -1 1 364.210 2.164 20 0 FEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438797527 559983787 /nfs/dbraw/zinc/98/37/87/559983787.db2.gz PTMFHMSPRCDUFI-UHFFFAOYSA-N -1 1 373.203 2.488 20 0 FEADMM COc1cc(NC(=O)CC[C@@H]2CC[C@H](C)O2)ccc1[N-]S(C)(=O)=O ZINC000438969603 559986576 /nfs/dbraw/zinc/98/65/76/559986576.db2.gz SJUHGMFXLPYTRF-AAEUAGOBSA-N -1 1 356.444 2.353 20 0 FEADMM O=C(CSc1nc(-c2ccco2)nc2ccccc21)Nc1nnn[n-]1 ZINC000439269010 559991191 /nfs/dbraw/zinc/99/11/91/559991191.db2.gz DIGFAQWQZMAYJZ-UHFFFAOYSA-N -1 1 353.367 2.134 20 0 FEADMM O=C(CSc1nc(-c2ccco2)nc2ccccc21)Nc1nn[n-]n1 ZINC000439269010 559991192 /nfs/dbraw/zinc/99/11/92/559991192.db2.gz DIGFAQWQZMAYJZ-UHFFFAOYSA-N -1 1 353.367 2.134 20 0 FEADMM N=c1nc(N2CCN(C(=O)Nc3cc(Cl)cc(F)c3F)CC2)s[n-]1 ZINC000442189290 560045966 /nfs/dbraw/zinc/04/59/66/560045966.db2.gz MGTKWHHGAYLRQH-UHFFFAOYSA-N -1 1 374.804 2.406 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4ccoc4c3)cc2n(C)c1=O ZINC000442839035 560059124 /nfs/dbraw/zinc/05/91/24/560059124.db2.gz RKBAVOZKNABGKW-UHFFFAOYSA-N -1 1 357.391 2.424 20 0 FEADMM COc1cc(C(=O)NCCNC(=O)CC2CCCC2)cc(Cl)c1[O-] ZINC000442957568 560063791 /nfs/dbraw/zinc/06/37/91/560063791.db2.gz OPRSOHYGMMUDHQ-UHFFFAOYSA-N -1 1 354.834 2.481 20 0 FEADMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000443233235 560075483 /nfs/dbraw/zinc/07/54/83/560075483.db2.gz IFIHJDPQBREDOF-RITPCOANSA-N -1 1 362.698 2.459 20 0 FEADMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000443270516 560077078 /nfs/dbraw/zinc/07/70/78/560077078.db2.gz YIOMSGJVXABFDR-LBPRGKRZSA-N -1 1 370.215 2.167 20 0 FEADMM COc1cc(C(=O)NCc2ccccc2OCCO)cc(Cl)c1[O-] ZINC000443324750 560079930 /nfs/dbraw/zinc/07/99/30/560079930.db2.gz UTOZHZPPHMXACV-UHFFFAOYSA-N -1 1 351.786 2.355 20 0 FEADMM Cn1nccc1CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000443939053 560096518 /nfs/dbraw/zinc/09/65/18/560096518.db2.gz VXIMWZDVNGKRQL-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(F)(F)F ZINC000443934309 560096694 /nfs/dbraw/zinc/09/66/94/560096694.db2.gz JPWRAWJLZGYKHX-UMNHJUIQSA-N -1 1 355.382 2.100 20 0 FEADMM COc1ccccc1-c1nc(=NC(=O)c2ccc(OC(C)C)cn2)[n-][nH]1 ZINC000444022236 560099306 /nfs/dbraw/zinc/09/93/06/560099306.db2.gz KALZWQWVDWAKIO-UHFFFAOYSA-N -1 1 353.382 2.915 20 0 FEADMM C[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)n1cncn1 ZINC000444340922 560110209 /nfs/dbraw/zinc/11/02/09/560110209.db2.gz LVYGDFZCGBYCHS-GFCCVEGCSA-N -1 1 357.414 2.246 20 0 FEADMM C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC(=O)N1 ZINC000444347353 560110441 /nfs/dbraw/zinc/11/04/41/560110441.db2.gz VKJIYQNTYYBMFV-QWHCGFSZSA-N -1 1 373.453 2.308 20 0 FEADMM CC(C)(C)c1cccc2c1OCCN2C(=O)CNC(=O)c1ncccc1[O-] ZINC000444487908 560114663 /nfs/dbraw/zinc/11/46/63/560114663.db2.gz GOJKKHBVIGBBQV-UHFFFAOYSA-N -1 1 369.421 2.240 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444512442 560114927 /nfs/dbraw/zinc/11/49/27/560114927.db2.gz HTNRDWLNOKAGQG-OAHLLOKOSA-N -1 1 357.373 2.210 20 0 FEADMM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000444608505 560116629 /nfs/dbraw/zinc/11/66/29/560116629.db2.gz LIOIOCRPWYISCD-SFHVURJKSA-N -1 1 360.414 2.012 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(C)(C)c3cccnc3)CC2)n1 ZINC000444755645 560119778 /nfs/dbraw/zinc/11/97/78/560119778.db2.gz PKOSEWAMLITPGG-UHFFFAOYSA-N -1 1 371.441 2.060 20 0 FEADMM CC[C@@H]1NC(=O)N(c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1=O ZINC000445890559 560136293 /nfs/dbraw/zinc/13/62/93/560136293.db2.gz OLRJNLGMBVNOOS-HNNXBMFYSA-N -1 1 359.407 2.322 20 0 FEADMM CC[C@H]1NC(=O)N(c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1=O ZINC000445890560 560136318 /nfs/dbraw/zinc/13/63/18/560136318.db2.gz OLRJNLGMBVNOOS-OAHLLOKOSA-N -1 1 359.407 2.322 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(Cl)cnc3N)[nH]n2)o1 ZINC000446633202 560148775 /nfs/dbraw/zinc/14/87/75/560148775.db2.gz FWFVWKFULCAVKR-UHFFFAOYSA-N -1 1 353.791 2.410 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2Cl)n1 ZINC000447484473 560163165 /nfs/dbraw/zinc/16/31/65/560163165.db2.gz ZQEKKXQWSYPENP-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)n[n-]1 ZINC000447484473 560163166 /nfs/dbraw/zinc/16/31/66/560163166.db2.gz ZQEKKXQWSYPENP-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM Cc1noc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2C)n1 ZINC000447870150 560171629 /nfs/dbraw/zinc/17/16/29/560171629.db2.gz XEJRLBBBTHLGQX-UHFFFAOYSA-N -1 1 364.196 2.067 20 0 FEADMM CC(=O)c1[n-]c(=N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)sc1C ZINC000450266044 560256454 /nfs/dbraw/zinc/25/64/54/560256454.db2.gz NGTRRLWIAVKLTG-SNVBAGLBSA-N -1 1 367.496 3.078 20 0 FEADMM CO[C@@H]1COCC[C@H]1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700249 560270652 /nfs/dbraw/zinc/27/06/52/560270652.db2.gz DILKQBGEWREFQH-TVQRCGJNSA-N -1 1 366.805 2.211 20 0 FEADMM CO[C@@H]1COCC[C@H]1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700249 560270653 /nfs/dbraw/zinc/27/06/53/560270653.db2.gz DILKQBGEWREFQH-TVQRCGJNSA-N -1 1 366.805 2.211 20 0 FEADMM Cc1ccc(Br)cc1CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000450841039 560275412 /nfs/dbraw/zinc/27/54/12/560275412.db2.gz KCMBGTQOMHCCPE-SNVBAGLBSA-N -1 1 352.236 2.075 20 0 FEADMM COc1ccc(NS(C)(=O)=O)cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000451097510 560287034 /nfs/dbraw/zinc/28/70/34/560287034.db2.gz PHIMDLBPGYZABG-UHFFFAOYSA-N -1 1 364.489 2.245 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451205178 560292883 /nfs/dbraw/zinc/29/28/83/560292883.db2.gz XCZSGJYAHHIKLW-RISCZKNCSA-N -1 1 368.430 2.497 20 0 FEADMM CN1C[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCC1=O ZINC000451222617 560293955 /nfs/dbraw/zinc/29/39/55/560293955.db2.gz XNZUKDHJJOERGW-VIFPVBQESA-N -1 1 358.872 2.454 20 0 FEADMM C[C@@H]1CN(CCCNS(=O)(=O)c2cc3cc(F)ccc3o2)CCCO1 ZINC000451457067 560308184 /nfs/dbraw/zinc/30/81/84/560308184.db2.gz FWFQLUUHEOSTND-CYBMUJFWSA-N -1 1 370.446 2.351 20 0 FEADMM C[C@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(C)(F)F ZINC000451688776 560321971 /nfs/dbraw/zinc/32/19/71/560321971.db2.gz KKNRIIVNRLKSNA-WCQYABFASA-N -1 1 352.447 2.131 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c3c2CCC3)c1 ZINC000451861722 560333057 /nfs/dbraw/zinc/33/30/57/560333057.db2.gz NLDPVGYZJFITNO-UHFFFAOYSA-N -1 1 360.435 2.350 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)Cc2cc(F)cc(OC)c2)c1 ZINC000452095276 560350895 /nfs/dbraw/zinc/35/08/95/560350895.db2.gz YETYPVOSRXQVFL-JTQLQIEISA-N -1 1 371.386 2.123 20 0 FEADMM CC[C@H](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)OC ZINC000452413071 560363928 /nfs/dbraw/zinc/36/39/28/560363928.db2.gz XDSJOTDCWULTPT-WCQYABFASA-N -1 1 360.476 2.147 20 0 FEADMM C[C@@H]1CN(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)C[C@H](C)N1C ZINC000454756518 560457003 /nfs/dbraw/zinc/45/70/03/560457003.db2.gz QOYHMRKWJFWGLJ-TXEJJXNPSA-N -1 1 363.462 2.824 20 0 FEADMM CC[C@H](C)[C@H](CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)OC ZINC000454773885 560457756 /nfs/dbraw/zinc/45/77/56/560457756.db2.gz MXABOSAPVDQLKG-NHYWBVRUSA-N -1 1 373.475 2.249 20 0 FEADMM COc1ccccc1-c1n[n-]c(=NC(=O)N2CCN(C(C)C)CC2)s1 ZINC000455816945 560495800 /nfs/dbraw/zinc/49/58/00/560495800.db2.gz XBLUYVRXRJGOMI-UHFFFAOYSA-N -1 1 361.471 2.772 20 0 FEADMM O=C(NCCC1(CO)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000456403039 560519347 /nfs/dbraw/zinc/51/93/47/560519347.db2.gz CBNPTSNRSFCCQL-UHFFFAOYSA-N -1 1 374.462 2.380 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)o1 ZINC000456444032 560520743 /nfs/dbraw/zinc/52/07/43/560520743.db2.gz HQRJSHGAGGHYGA-SECBINFHSA-N -1 1 374.340 2.022 20 0 FEADMM Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)C2)n1 ZINC000459421680 560685391 /nfs/dbraw/zinc/68/53/91/560685391.db2.gz HAXLCQHODZCXMS-OAHLLOKOSA-N -1 1 362.437 2.601 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000460424229 560743551 /nfs/dbraw/zinc/74/35/51/560743551.db2.gz JMQZTMJZEUABDQ-UHFFFAOYSA-N -1 1 355.423 2.167 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(C)n(C)nc3c2)ccc1[O-] ZINC000461342417 560767409 /nfs/dbraw/zinc/76/74/09/560767409.db2.gz RDJQTRVIXYKXRE-UHFFFAOYSA-N -1 1 374.422 2.347 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)c3noc(COC(C)C)n3)cnc2n1 ZINC000461409007 560770271 /nfs/dbraw/zinc/77/02/71/560770271.db2.gz PXBTWDLFNPQKSI-NSHDSACASA-N -1 1 371.397 2.443 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)c1noc(COC(C)C)n1)c2=O ZINC000461409007 560770272 /nfs/dbraw/zinc/77/02/72/560770272.db2.gz PXBTWDLFNPQKSI-NSHDSACASA-N -1 1 371.397 2.443 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(OC)c2)c1 ZINC000461449646 560771776 /nfs/dbraw/zinc/77/17/76/560771776.db2.gz UFRYRQDRNSJBFT-UHFFFAOYSA-N -1 1 370.814 2.215 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2cccc(OC)c2)c1 ZINC000461463667 560772751 /nfs/dbraw/zinc/77/27/51/560772751.db2.gz KXVGLHXGCPZFGN-NSHDSACASA-N -1 1 364.423 2.051 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCc3ccc(OC)cc32)o1 ZINC000465218606 560860483 /nfs/dbraw/zinc/86/04/83/560860483.db2.gz VBNRDKWHFAQIRB-UHFFFAOYSA-N -1 1 364.423 2.179 20 0 FEADMM CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000465358911 560863971 /nfs/dbraw/zinc/86/39/71/560863971.db2.gz OOHCLJPMVYINAO-UHFFFAOYSA-N -1 1 353.382 2.422 20 0 FEADMM COc1ccc(NC(=O)N(C)CC[C@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000466587585 560890626 /nfs/dbraw/zinc/89/06/26/560890626.db2.gz MMLNCEDRKYBREP-CYBMUJFWSA-N -1 1 371.459 2.100 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cnn(C(F)F)c1 ZINC000467429862 560909950 /nfs/dbraw/zinc/90/99/50/560909950.db2.gz QJHZAJIPPPRFAX-UHFFFAOYSA-N -1 1 350.329 2.215 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000467763800 560916683 /nfs/dbraw/zinc/91/66/83/560916683.db2.gz WPJXQNNTUPSEOU-UHFFFAOYSA-N -1 1 365.363 2.068 20 0 FEADMM N=c1nc(N2CCN(C(=O)CCCCC(=O)c3ccccc3)CC2)s[n-]1 ZINC000467867457 560919013 /nfs/dbraw/zinc/91/90/13/560919013.db2.gz LVPILJIWPDSSTL-UHFFFAOYSA-N -1 1 373.482 2.212 20 0 FEADMM COc1cc(NC(=O)c2c(C)cc(C)[nH]c2=O)ccc1[N-]S(C)(=O)=O ZINC000468498024 560931614 /nfs/dbraw/zinc/93/16/14/560931614.db2.gz MKXYLGKSJZWONY-UHFFFAOYSA-N -1 1 365.411 2.036 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1 ZINC000468948486 560943129 /nfs/dbraw/zinc/94/31/29/560943129.db2.gz LPGDBVNWJUSHJK-UHFFFAOYSA-N -1 1 350.444 2.159 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC)C(F)(F)F ZINC000468987114 560944070 /nfs/dbraw/zinc/94/40/70/560944070.db2.gz OFCBGADPRHBPSP-NSHDSACASA-N -1 1 357.350 2.332 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](Oc3ccncc3)C2)c(=O)[n-]1 ZINC000469433582 560955388 /nfs/dbraw/zinc/95/53/88/560955388.db2.gz GHCDHCDVOMOCCZ-AWEZNQCLSA-N -1 1 374.466 2.220 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(COc2cccc(F)c2)c1 ZINC000470986861 560995961 /nfs/dbraw/zinc/99/59/61/560995961.db2.gz RROAHJIXILGFDR-UHFFFAOYSA-N -1 1 353.357 2.337 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)ccc1F ZINC000471593380 561008127 /nfs/dbraw/zinc/00/81/27/561008127.db2.gz KLZUIYCLCHXGDW-UHFFFAOYSA-N -1 1 366.414 2.398 20 0 FEADMM Cc1cc(C(=O)Nc2c3c(nn2C(C)C)CCC3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000471668622 561009970 /nfs/dbraw/zinc/00/99/70/561009970.db2.gz RSTHSAOHUYYZNJ-UHFFFAOYSA-N -1 1 368.397 2.263 20 0 FEADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000471921957 561014423 /nfs/dbraw/zinc/01/44/23/561014423.db2.gz DYNIVXIABSWTLX-UHFFFAOYSA-N -1 1 367.354 2.450 20 0 FEADMM CC(C)N1CC(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000473226517 561044869 /nfs/dbraw/zinc/04/48/69/561044869.db2.gz URKKCXGZKHRMRC-UHFFFAOYSA-N -1 1 373.478 2.310 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCCOc1cccc(Cl)c1 ZINC000473338704 561047769 /nfs/dbraw/zinc/04/77/69/561047769.db2.gz IKFKVYKIHVPOBJ-UHFFFAOYSA-N -1 1 367.789 2.091 20 0 FEADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000473493672 561051051 /nfs/dbraw/zinc/05/10/51/561051051.db2.gz XESOZKOUALYPEC-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000473512506 561051682 /nfs/dbraw/zinc/05/16/82/561051682.db2.gz ZGRXMQUTZLTWPX-MRVPVSSYSA-N -1 1 371.315 2.276 20 0 FEADMM CC(C)(NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1nn[n-]n1 ZINC000475010978 561087791 /nfs/dbraw/zinc/08/77/91/561087791.db2.gz ZRXZEZWDDSHDCS-UHFFFAOYSA-N -1 1 367.182 2.248 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C ZINC000475796481 561105680 /nfs/dbraw/zinc/10/56/80/561105680.db2.gz ZXCXHIWGKBNYOX-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C ZINC000475817559 561106221 /nfs/dbraw/zinc/10/62/21/561106221.db2.gz WVOULUHBQPMUJE-UHFFFAOYSA-N -1 1 368.480 2.321 20 0 FEADMM Cc1c(F)ccc(Cl)c1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000476532565 561121781 /nfs/dbraw/zinc/12/17/81/561121781.db2.gz KRNUFLMECNQSHQ-UHFFFAOYSA-N -1 1 358.778 2.393 20 0 FEADMM Cc1nn(-c2ccc(C(=O)NC3(c4nn[n-]n4)CC3)cc2)c(C)c1Cl ZINC000477054017 561135387 /nfs/dbraw/zinc/13/53/87/561135387.db2.gz AQTAKQPQNFJOBM-UHFFFAOYSA-N -1 1 357.805 2.075 20 0 FEADMM COc1cc(C(=O)N[C@@]2(CO)COc3ccccc3C2)cc(Cl)c1[O-] ZINC000529821528 562386838 /nfs/dbraw/zinc/38/68/38/562386838.db2.gz IQSOCKBNTSUCHC-SFHVURJKSA-N -1 1 363.797 2.150 20 0 FEADMM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(F)c1[O-])C2=O ZINC000530004106 562394208 /nfs/dbraw/zinc/39/42/08/562394208.db2.gz AXXPQGGVGLDAIK-GOSISDBHSA-N -1 1 363.389 2.361 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530040186 562395812 /nfs/dbraw/zinc/39/58/12/562395812.db2.gz VYJWUIKELYRMHP-LBPRGKRZSA-N -1 1 361.373 2.444 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(CN(C)C)ccn1)c1ccc(F)cc1 ZINC000530154178 562400320 /nfs/dbraw/zinc/40/03/20/562400320.db2.gz PWEDQSFSLCOIHF-INIZCTEOSA-N -1 1 367.446 2.412 20 0 FEADMM Cc1ccccc1-c1nc(=N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[nH]1 ZINC000530251148 562404170 /nfs/dbraw/zinc/40/41/70/562404170.db2.gz FMSKPDPSSOJLHG-ZIAGYGMSSA-N -1 1 374.466 2.057 20 0 FEADMM O=C(NCc1nc(CNC(=O)c2cncc([O-])c2)cs1)c1ccccc1 ZINC000530941075 562429273 /nfs/dbraw/zinc/42/92/73/562429273.db2.gz SUFLINXYZZQHIJ-UHFFFAOYSA-N -1 1 368.418 2.104 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H]1Cc1ccccc1 ZINC000531125432 562435497 /nfs/dbraw/zinc/43/54/97/562435497.db2.gz VOBVKSWZWAJAAF-INIZCTEOSA-N -1 1 350.422 2.438 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CNC3=O)cc2)c1 ZINC000531194151 562437742 /nfs/dbraw/zinc/43/77/42/562437742.db2.gz HEBCJFDEIUCGJW-UHFFFAOYSA-N -1 1 373.434 2.102 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(-c4ccccc4)n[nH]3)cc2N1 ZINC000531496345 562448044 /nfs/dbraw/zinc/44/80/44/562448044.db2.gz IUAZNSXEAFMRLH-UHFFFAOYSA-N -1 1 370.390 2.208 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000532288080 562472918 /nfs/dbraw/zinc/47/29/18/562472918.db2.gz FPEPFSMDTXCEMH-UHFFFAOYSA-N -1 1 359.455 2.138 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](CO)Cc2c[nH]c3ccccc23)sc1C ZINC000533092727 562498082 /nfs/dbraw/zinc/49/80/82/562498082.db2.gz PISJTBDIKLHXFT-CYBMUJFWSA-N -1 1 365.480 2.123 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000533202676 562501468 /nfs/dbraw/zinc/50/14/68/562501468.db2.gz QTAVVDXSYUQESF-OAHLLOKOSA-N -1 1 350.484 2.390 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)cc1C(N)=O ZINC000533895239 562520797 /nfs/dbraw/zinc/52/07/97/562520797.db2.gz LJIRTHXTJUKFLQ-UHFFFAOYSA-N -1 1 362.407 2.106 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000533952706 562522282 /nfs/dbraw/zinc/52/22/82/562522282.db2.gz BDKSQYUFPKCLBH-UHFFFAOYSA-N -1 1 367.448 2.402 20 0 FEADMM CC(=O)c1cccc(OC=C([O-])Nc2nc(-c3cccnc3)ns2)c1 ZINC000534440881 562534195 /nfs/dbraw/zinc/53/41/95/562534195.db2.gz LWFNJKHBPOOZIU-UHFFFAOYSA-N -1 1 354.391 2.242 20 0 FEADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(-n2cnnn2)cc1 ZINC000535654339 562563393 /nfs/dbraw/zinc/56/33/93/562563393.db2.gz GZWMFGBELKUDJD-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSCc1ccccn1 ZINC000536940064 562583012 /nfs/dbraw/zinc/58/30/12/562583012.db2.gz VWFRUPIKAODXRB-UHFFFAOYSA-N -1 1 369.443 2.464 20 0 FEADMM Cc1cn2cc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)sc2n1 ZINC000536940224 562583104 /nfs/dbraw/zinc/58/31/04/562583104.db2.gz FBCISARXNDQYNP-UHFFFAOYSA-N -1 1 368.415 2.467 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1CC ZINC000536993302 562583732 /nfs/dbraw/zinc/58/37/32/562583732.db2.gz OJIZQQZOWFQKIW-UHFFFAOYSA-N -1 1 358.419 2.496 20 0 FEADMM CS(=O)(=O)Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000537213153 562587897 /nfs/dbraw/zinc/58/78/97/562587897.db2.gz VNJXAALHRPFEGX-UHFFFAOYSA-N -1 1 355.362 2.145 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000540898231 562595980 /nfs/dbraw/zinc/59/59/80/562595980.db2.gz GNQPXLSDXWGDQU-VIFPVBQESA-N -1 1 353.216 2.413 20 0 FEADMM C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1)C(=O)[O-] ZINC000541807966 562620213 /nfs/dbraw/zinc/62/02/13/562620213.db2.gz ZFTCZWILRMSZSR-VIFPVBQESA-N -1 1 369.830 2.381 20 0 FEADMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(F)(F)F ZINC000541826019 562620783 /nfs/dbraw/zinc/62/07/83/562620783.db2.gz PZUBDZMQXHWDNI-GXSJLCMTSA-N -1 1 355.382 2.100 20 0 FEADMM Cc1nc([C@H]2CCCOC2)sc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000556226948 674392843 /nfs/dbraw/zinc/39/28/43/674392843.db2.gz APHYCKPGQNJPSJ-NSHDSACASA-N -1 1 362.459 2.058 20 0 FEADMM O=S(=O)([N-][C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1sccc1Cl ZINC000556325810 674397286 /nfs/dbraw/zinc/39/72/86/674397286.db2.gz GEECZMLJWQSMND-NWDGAFQWSA-N -1 1 365.904 2.390 20 0 FEADMM O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556367770 674399154 /nfs/dbraw/zinc/39/91/54/674399154.db2.gz PVUOKKOVJAJDIQ-UHFFFAOYSA-N -1 1 362.854 2.454 20 0 FEADMM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000601739003 567822297 /nfs/dbraw/zinc/82/22/97/567822297.db2.gz JALZJEFVLUZFGN-MEBBXXQBSA-N -1 1 361.316 2.204 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(Cc3cccc(F)c3)CCC2)n[n-]1 ZINC000603018511 568052138 /nfs/dbraw/zinc/05/21/38/568052138.db2.gz SGBCGJOIBSSEFY-UHFFFAOYSA-N -1 1 360.389 2.150 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(Cc3cccc(F)c3)CCC2)n1 ZINC000603018511 568052139 /nfs/dbraw/zinc/05/21/39/568052139.db2.gz SGBCGJOIBSSEFY-UHFFFAOYSA-N -1 1 360.389 2.150 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCc2cccc(F)c2F)n[n-]1 ZINC000603163351 568069688 /nfs/dbraw/zinc/06/96/88/568069688.db2.gz IAQKNIZZUZCJSS-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCc2cccc(F)c2F)[n-]1 ZINC000603163351 568069689 /nfs/dbraw/zinc/06/96/89/568069689.db2.gz IAQKNIZZUZCJSS-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCc2cccc(F)c2F)n1 ZINC000603163351 568069690 /nfs/dbraw/zinc/06/96/90/568069690.db2.gz IAQKNIZZUZCJSS-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@]2(C)CCCc3ccccc32)n[n-]1 ZINC000603165974 568070102 /nfs/dbraw/zinc/07/01/02/568070102.db2.gz NGWMYPZNDQWZFY-CWTRNNRKSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@]2(C)CCCc3ccccc32)[n-]1 ZINC000603165974 568070103 /nfs/dbraw/zinc/07/01/03/568070103.db2.gz NGWMYPZNDQWZFY-CWTRNNRKSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@]2(C)CCCc3ccccc32)n1 ZINC000603165974 568070104 /nfs/dbraw/zinc/07/01/04/568070104.db2.gz NGWMYPZNDQWZFY-CWTRNNRKSA-N -1 1 356.426 2.453 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccccc2C(F)(F)F)n[n-]1 ZINC000603167087 568070446 /nfs/dbraw/zinc/07/04/46/568070446.db2.gz UFFLFSDZOANAJI-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccccc2C(F)(F)F)[n-]1 ZINC000603167087 568070447 /nfs/dbraw/zinc/07/04/47/568070447.db2.gz UFFLFSDZOANAJI-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000603167087 568070448 /nfs/dbraw/zinc/07/04/48/568070448.db2.gz UFFLFSDZOANAJI-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1c(Cl)cccc1Cl ZINC000603547444 568118014 /nfs/dbraw/zinc/11/80/14/568118014.db2.gz SWYWTBQZLOPDFK-ZCFIWIBFSA-N -1 1 363.226 2.257 20 0 FEADMM C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1c(Cl)cccc1Cl ZINC000603547444 568118015 /nfs/dbraw/zinc/11/80/15/568118015.db2.gz SWYWTBQZLOPDFK-ZCFIWIBFSA-N -1 1 363.226 2.257 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(C)C ZINC000603631878 568128039 /nfs/dbraw/zinc/12/80/39/568128039.db2.gz LOUZORJGTYGKIM-CQSZACIVSA-N -1 1 365.455 2.305 20 0 FEADMM CCOC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000603718846 568147181 /nfs/dbraw/zinc/14/71/81/568147181.db2.gz VLGKRWWMTGWYLT-WMLDXEAASA-N -1 1 374.437 2.074 20 0 FEADMM Cc1nc(-c2ccc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)cc2)cc(=O)[nH]1 ZINC000623070240 568223563 /nfs/dbraw/zinc/22/35/63/568223563.db2.gz CIBITJHHPIHVSS-SFHVURJKSA-N -1 1 359.405 2.323 20 0 FEADMM COCC(C)(C)CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000665826649 568262881 /nfs/dbraw/zinc/26/28/81/568262881.db2.gz PCMCEHIQYHSWNI-ZDUSSCGKSA-N -1 1 355.801 2.261 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc3cnn(C)c3c2)c(=O)[n-]1 ZINC000643246338 568271108 /nfs/dbraw/zinc/27/11/08/568271108.db2.gz OLBUIRLCBWSIGA-UHFFFAOYSA-N -1 1 371.466 2.348 20 0 FEADMM CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccncc3[O-])cc2)c1C ZINC000609488562 568412133 /nfs/dbraw/zinc/41/21/33/568412133.db2.gz RZDLOGQHWCDYNX-UHFFFAOYSA-N -1 1 366.377 2.132 20 0 FEADMM CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736828777 598872811 /nfs/dbraw/zinc/87/28/11/598872811.db2.gz RVVYHLBLBNTKDT-UHFFFAOYSA-N -1 1 363.830 2.341 20 0 FEADMM CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736828777 598872813 /nfs/dbraw/zinc/87/28/13/598872813.db2.gz RVVYHLBLBNTKDT-UHFFFAOYSA-N -1 1 363.830 2.341 20 0 FEADMM CCC[C@H](NC(=O)c1sc([C@H]2CCCOC2)nc1C)c1nn[n-]n1 ZINC000556557919 674406599 /nfs/dbraw/zinc/40/65/99/674406599.db2.gz USUSHNKMYDXFOS-QWRGUYRKSA-N -1 1 350.448 2.130 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000735495978 598928756 /nfs/dbraw/zinc/92/87/56/598928756.db2.gz RALLORLXCYKKBD-UHFFFAOYSA-N -1 1 357.395 2.179 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736613100 598945536 /nfs/dbraw/zinc/94/55/36/598945536.db2.gz CUOZYFMDAZYXSP-LSDHHAIUSA-N -1 1 356.430 2.072 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736613100 598945537 /nfs/dbraw/zinc/94/55/37/598945537.db2.gz CUOZYFMDAZYXSP-LSDHHAIUSA-N -1 1 356.430 2.072 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccnc(N2CCCC2)c1 ZINC000738437600 598956782 /nfs/dbraw/zinc/95/67/82/598956782.db2.gz QXNMDFKHVDKJHS-UHFFFAOYSA-N -1 1 373.424 2.417 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccnc(N2CCCC2)c1 ZINC000738437600 598956784 /nfs/dbraw/zinc/95/67/84/598956784.db2.gz QXNMDFKHVDKJHS-UHFFFAOYSA-N -1 1 373.424 2.417 20 0 FEADMM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)O[C@@H](C)C2 ZINC000736636281 598984420 /nfs/dbraw/zinc/98/44/20/598984420.db2.gz QDZLHUWZCZAKKD-JTQLQIEISA-N -1 1 366.381 2.236 20 0 FEADMM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nn[n-]n3)nc1)O[C@@H](C)C2 ZINC000736636281 598984421 /nfs/dbraw/zinc/98/44/21/598984421.db2.gz QDZLHUWZCZAKKD-JTQLQIEISA-N -1 1 366.381 2.236 20 0 FEADMM COc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000737073424 598985127 /nfs/dbraw/zinc/98/51/27/598985127.db2.gz CFIMXOMKFKCTHW-MRXNPFEDSA-N -1 1 352.398 2.397 20 0 FEADMM COc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000737073424 598985128 /nfs/dbraw/zinc/98/51/28/598985128.db2.gz CFIMXOMKFKCTHW-MRXNPFEDSA-N -1 1 352.398 2.397 20 0 FEADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737114851 598989734 /nfs/dbraw/zinc/98/97/34/598989734.db2.gz MUQMVAHDDHGFQJ-QGZVFWFLSA-N -1 1 364.409 2.420 20 0 FEADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737114851 598989736 /nfs/dbraw/zinc/98/97/36/598989736.db2.gz MUQMVAHDDHGFQJ-QGZVFWFLSA-N -1 1 364.409 2.420 20 0 FEADMM O=C(Oc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738247155 599003749 /nfs/dbraw/zinc/00/37/49/599003749.db2.gz NHUZNFJKMBTUPK-UHFFFAOYSA-N -1 1 365.271 2.422 20 0 FEADMM O=C(Oc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738247155 599003751 /nfs/dbraw/zinc/00/37/51/599003751.db2.gz NHUZNFJKMBTUPK-UHFFFAOYSA-N -1 1 365.271 2.422 20 0 FEADMM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243853 599005303 /nfs/dbraw/zinc/00/53/03/599005303.db2.gz BJFFAEXNJLFRAV-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243853 599005305 /nfs/dbraw/zinc/00/53/05/599005305.db2.gz BJFFAEXNJLFRAV-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737074439 599019851 /nfs/dbraw/zinc/01/98/51/599019851.db2.gz FYYBMIFGSQMNRX-MRXNPFEDSA-N -1 1 350.382 2.248 20 0 FEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737074439 599019852 /nfs/dbraw/zinc/01/98/52/599019852.db2.gz FYYBMIFGSQMNRX-MRXNPFEDSA-N -1 1 350.382 2.248 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(COc2ccccc2)CC1 ZINC000738257667 599030556 /nfs/dbraw/zinc/03/05/56/599030556.db2.gz BKWSYFOWYJYJAI-UHFFFAOYSA-N -1 1 364.409 2.193 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(COc2ccccc2)CC1 ZINC000738257667 599030558 /nfs/dbraw/zinc/03/05/58/599030558.db2.gz BKWSYFOWYJYJAI-UHFFFAOYSA-N -1 1 364.409 2.193 20 0 FEADMM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000737401051 599141770 /nfs/dbraw/zinc/14/17/70/599141770.db2.gz WOTSCOGIOGMTHG-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000737401051 599141772 /nfs/dbraw/zinc/14/17/72/599141772.db2.gz WOTSCOGIOGMTHG-LBPRGKRZSA-N -1 1 366.381 2.063 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccco1 ZINC000738354694 599177184 /nfs/dbraw/zinc/17/71/84/599177184.db2.gz JUQFILCXYXYXEZ-CYBMUJFWSA-N -1 1 363.374 2.125 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C2CCCC1CCC2 ZINC000737199578 599226838 /nfs/dbraw/zinc/22/68/38/599226838.db2.gz IJCBRNVIYCWZQB-UHFFFAOYSA-N -1 1 370.457 2.450 20 0 FEADMM O=C([N-]CC1CCN(C(=O)N[C@H]2CCCC2(F)F)CC1)C(F)(F)F ZINC000807598083 674421284 /nfs/dbraw/zinc/42/12/84/674421284.db2.gz QOSUXYBQZLHNAL-JTQLQIEISA-N -1 1 357.323 2.274 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000818482512 597169066 /nfs/dbraw/zinc/16/90/66/597169066.db2.gz YZCGZBNKAREPBD-UHFFFAOYSA-N -1 1 368.437 2.458 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000818373829 597430425 /nfs/dbraw/zinc/43/04/25/597430425.db2.gz CLTIOUVLKLPZCQ-OAHLLOKOSA-N -1 1 353.850 2.449 20 0 FEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1NS(C)(=O)=O ZINC000822258766 607312733 /nfs/dbraw/zinc/31/27/33/607312733.db2.gz BXOWLWDMXFTIOY-UHFFFAOYSA-N -1 1 364.456 2.220 20 0 FEADMM C[C@H]1C[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807707487 674424891 /nfs/dbraw/zinc/42/48/91/674424891.db2.gz SDGNHTMALWEKGU-VLJOUNFMSA-N -1 1 350.381 2.106 20 0 FEADMM CC[C@@H]1CC[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807708226 674425005 /nfs/dbraw/zinc/42/50/05/674425005.db2.gz NSSOFFKYCNDECS-WJTVCTBASA-N -1 1 350.381 2.248 20 0 FEADMM O=C([O-])CCCCNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000635508581 598166483 /nfs/dbraw/zinc/16/64/83/598166483.db2.gz VVRZQWYPNXZDLC-UHFFFAOYSA-N -1 1 351.422 2.344 20 0 FEADMM NC(=O)[C@H]1CCCN1Cc1cccc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000821345124 598204710 /nfs/dbraw/zinc/20/47/10/598204710.db2.gz KIFPIHZZVPKEME-GOSISDBHSA-N -1 1 353.422 2.447 20 0 FEADMM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737318848 598259541 /nfs/dbraw/zinc/25/95/41/598259541.db2.gz YGPHLFPITYNQOL-UHFFFAOYSA-N -1 1 359.411 2.461 20 0 FEADMM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737318848 598259542 /nfs/dbraw/zinc/25/95/42/598259542.db2.gz YGPHLFPITYNQOL-UHFFFAOYSA-N -1 1 359.411 2.461 20 0 FEADMM CC(C)(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597390 598262759 /nfs/dbraw/zinc/26/27/59/598262759.db2.gz OAFLGDQAEXCCDA-QWHCGFSZSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597390 598262760 /nfs/dbraw/zinc/26/27/60/598262760.db2.gz OAFLGDQAEXCCDA-QWHCGFSZSA-N -1 1 364.475 2.145 20 0 FEADMM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736397733 598270012 /nfs/dbraw/zinc/27/00/12/598270012.db2.gz VAFCDBJFQMRHAX-MRXNPFEDSA-N -1 1 372.454 2.424 20 0 FEADMM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736397733 598270013 /nfs/dbraw/zinc/27/00/13/598270013.db2.gz VAFCDBJFQMRHAX-MRXNPFEDSA-N -1 1 372.454 2.424 20 0 FEADMM Cc1ccn(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822369386 607349810 /nfs/dbraw/zinc/34/98/10/607349810.db2.gz IEMLGHKNVVGUAQ-UHFFFAOYSA-N -1 1 352.398 2.099 20 0 FEADMM Cn1c(Sc2nccnc2-c2nn[n-]n2)nnc1-c1ccc(Cl)cc1 ZINC000737593141 598339646 /nfs/dbraw/zinc/33/96/46/598339646.db2.gz RGQQIIXVKJCWEN-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CCCNc1nccnc1-c1nnn[n-]1 ZINC000737509449 598342358 /nfs/dbraw/zinc/34/23/58/598342358.db2.gz NPRMAIHNYNJGBC-UHFFFAOYSA-N -1 1 361.413 2.196 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CCCNc1nccnc1-c1nn[n-]n1 ZINC000737509449 598342360 /nfs/dbraw/zinc/34/23/60/598342360.db2.gz NPRMAIHNYNJGBC-UHFFFAOYSA-N -1 1 361.413 2.196 20 0 FEADMM C[C@H](Cc1cccc(Br)c1)Nc1nccnc1-c1nnn[n-]1 ZINC000736059724 598348100 /nfs/dbraw/zinc/34/81/00/598348100.db2.gz WCKTVSKWVRQRMV-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM C[C@H](Cc1cccc(Br)c1)Nc1nccnc1-c1nn[n-]n1 ZINC000736059724 598348102 /nfs/dbraw/zinc/34/81/02/598348102.db2.gz WCKTVSKWVRQRMV-SECBINFHSA-N -1 1 360.219 2.462 20 0 FEADMM Clc1ccc(N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737577099 598348552 /nfs/dbraw/zinc/34/85/52/598348552.db2.gz ROZZEQWJSLHQRL-NSHDSACASA-N -1 1 356.821 2.249 20 0 FEADMM Clc1ccc(N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737577099 598348553 /nfs/dbraw/zinc/34/85/53/598348553.db2.gz ROZZEQWJSLHQRL-NSHDSACASA-N -1 1 356.821 2.249 20 0 FEADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC000736793415 598350396 /nfs/dbraw/zinc/35/03/96/598350396.db2.gz WVRSZGMWHCKDHW-HOCLYGCPSA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC000736793415 598350398 /nfs/dbraw/zinc/35/03/98/598350398.db2.gz WVRSZGMWHCKDHW-HOCLYGCPSA-N -1 1 351.414 2.261 20 0 FEADMM CCc1nn(CCOc2cccc(Cl)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706180 598379515 /nfs/dbraw/zinc/37/95/15/598379515.db2.gz HZEDIFJVBFSDGD-UHFFFAOYSA-N -1 1 374.832 2.281 20 0 FEADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736961176 598381739 /nfs/dbraw/zinc/38/17/39/598381739.db2.gz JOGNHMQXJBDRPG-LLVKDONJSA-N -1 1 359.411 2.375 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2CCCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000737190223 598455478 /nfs/dbraw/zinc/45/54/78/598455478.db2.gz VVHCVRIKSJUVDT-JTQLQIEISA-N -1 1 374.470 2.112 20 0 FEADMM CCOC(=O)c1oc2ccccc2c1CNc1nccnc1-c1nnn[n-]1 ZINC000736605462 598520908 /nfs/dbraw/zinc/52/09/08/598520908.db2.gz LPJLZBAGPQXZAL-UHFFFAOYSA-N -1 1 365.353 2.192 20 0 FEADMM CCOC(=O)c1oc2ccccc2c1CNc1nccnc1-c1nn[n-]n1 ZINC000736605462 598520909 /nfs/dbraw/zinc/52/09/09/598520909.db2.gz LPJLZBAGPQXZAL-UHFFFAOYSA-N -1 1 365.353 2.192 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000737776427 598528826 /nfs/dbraw/zinc/52/88/26/598528826.db2.gz MWKBBQRLSWHLGC-YUMQZZPRSA-N -1 1 364.196 2.396 20 0 FEADMM CSC[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000737180070 598563813 /nfs/dbraw/zinc/56/38/13/598563813.db2.gz ONPAORQZONKHEM-LLVKDONJSA-N -1 1 372.454 2.403 20 0 FEADMM Cc1cccc(C)c1OC[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737388768 598577666 /nfs/dbraw/zinc/57/76/66/598577666.db2.gz FHUQXKSLWVVJCP-GFCCVEGCSA-N -1 1 374.832 2.384 20 0 FEADMM Cc1cccc(C)c1OC[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737388768 598577667 /nfs/dbraw/zinc/57/76/67/598577667.db2.gz FHUQXKSLWVVJCP-GFCCVEGCSA-N -1 1 374.832 2.384 20 0 FEADMM O=C(NCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccs1 ZINC000738065967 598579826 /nfs/dbraw/zinc/57/98/26/598579826.db2.gz OVFUMFXMFIIGQX-UHFFFAOYSA-N -1 1 363.834 2.209 20 0 FEADMM O=C(NCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccs1 ZINC000738065967 598579827 /nfs/dbraw/zinc/57/98/27/598579827.db2.gz OVFUMFXMFIIGQX-UHFFFAOYSA-N -1 1 363.834 2.209 20 0 FEADMM C[C@@H](CO)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000820287527 607362537 /nfs/dbraw/zinc/36/25/37/607362537.db2.gz NEBQTANJBADNIB-JTQLQIEISA-N -1 1 373.800 2.423 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(-c2ccsc2)no1 ZINC000737200488 598608645 /nfs/dbraw/zinc/60/86/45/598608645.db2.gz UYKWWZXCFWXSRF-UHFFFAOYSA-N -1 1 369.410 2.481 20 0 FEADMM CCc1nn(CCO[C@@H]2CCCC[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706165 598640081 /nfs/dbraw/zinc/64/00/81/598640081.db2.gz HUTNEFFIMFFKIR-IUODEOHRSA-N -1 1 360.462 2.144 20 0 FEADMM CCc1nn(Cc2cccc3cccnc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707717 598642657 /nfs/dbraw/zinc/64/26/57/598642657.db2.gz SFHFJSJEUSCYKH-UHFFFAOYSA-N -1 1 361.409 2.145 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735628113 598676186 /nfs/dbraw/zinc/67/61/86/598676186.db2.gz QPUBKSUNYXKMMU-VIFPVBQESA-N -1 1 365.825 2.336 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735628113 598676187 /nfs/dbraw/zinc/67/61/87/598676187.db2.gz QPUBKSUNYXKMMU-VIFPVBQESA-N -1 1 365.825 2.336 20 0 FEADMM CCOc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736654884 598687269 /nfs/dbraw/zinc/68/72/69/598687269.db2.gz MBBMMTRBOUSBLQ-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736565505 598688202 /nfs/dbraw/zinc/68/82/02/598688202.db2.gz ZAZLPWOMMYSGMM-UHFFFAOYSA-N -1 1 365.365 2.360 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2COC3=O)cc(F)c1F ZINC000808127375 674443082 /nfs/dbraw/zinc/44/30/82/674443082.db2.gz XUKXGWCACZIDFY-UHFFFAOYSA-N -1 1 369.301 2.134 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1ccccc1F ZINC000738295590 598775686 /nfs/dbraw/zinc/77/56/86/598775686.db2.gz IPOKUJHNCRRXSV-NSHDSACASA-N -1 1 373.779 2.272 20 0 FEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1ccccc1F ZINC000738295590 598775688 /nfs/dbraw/zinc/77/56/88/598775688.db2.gz IPOKUJHNCRRXSV-NSHDSACASA-N -1 1 373.779 2.272 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)CC(C)C ZINC000737486911 598785315 /nfs/dbraw/zinc/78/53/15/598785315.db2.gz GLJJOURKUAHZRD-LLVKDONJSA-N -1 1 371.445 2.437 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)CC(C)C ZINC000737486911 598785316 /nfs/dbraw/zinc/78/53/16/598785316.db2.gz GLJJOURKUAHZRD-LLVKDONJSA-N -1 1 371.445 2.437 20 0 FEADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1C(F)(F)F ZINC000819883718 599318796 /nfs/dbraw/zinc/31/87/96/599318796.db2.gz LEHKTEKPOACRCC-SSDOTTSWSA-N -1 1 351.292 2.108 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820768396 599366330 /nfs/dbraw/zinc/36/63/30/599366330.db2.gz NFAHAGKGRBJTPZ-IUCAKERBSA-N -1 1 373.891 2.035 20 0 FEADMM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nccn1C ZINC000821883691 599402896 /nfs/dbraw/zinc/40/28/96/599402896.db2.gz ZPHPKDHRCOADRK-MRXNPFEDSA-N -1 1 365.397 2.081 20 0 FEADMM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nccn1C ZINC000821883691 599402899 /nfs/dbraw/zinc/40/28/99/599402899.db2.gz ZPHPKDHRCOADRK-MRXNPFEDSA-N -1 1 365.397 2.081 20 0 FEADMM C[C@H](c1ccc(F)cc1F)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736198410 599429669 /nfs/dbraw/zinc/42/96/69/599429669.db2.gz HWUFPYCJJIILKT-GFCCVEGCSA-N -1 1 371.395 2.423 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821575465 599559919 /nfs/dbraw/zinc/55/99/19/599559919.db2.gz CQCAJYBATBYFDY-QWHCGFSZSA-N -1 1 365.441 2.474 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821575465 599559920 /nfs/dbraw/zinc/55/99/20/599559920.db2.gz CQCAJYBATBYFDY-QWHCGFSZSA-N -1 1 365.441 2.474 20 0 FEADMM Cn1ccnc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1=O ZINC000822693784 599567857 /nfs/dbraw/zinc/56/78/57/599567857.db2.gz JWQXSOOXUPLFHP-UHFFFAOYSA-N -1 1 365.422 2.301 20 0 FEADMM Cc1ccc(N2CC[C@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000822240975 599588864 /nfs/dbraw/zinc/58/88/64/599588864.db2.gz HDZFIRVBPMLYHI-ZDUSSCGKSA-N -1 1 369.816 2.441 20 0 FEADMM Cc1ccc(N2CC[C@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822240975 599588867 /nfs/dbraw/zinc/58/88/67/599588867.db2.gz HDZFIRVBPMLYHI-ZDUSSCGKSA-N -1 1 369.816 2.441 20 0 FEADMM Cc1sc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1C ZINC000822562580 599662354 /nfs/dbraw/zinc/66/23/54/599662354.db2.gz BQVDZZJRKYZTAJ-UHFFFAOYSA-N -1 1 372.410 2.044 20 0 FEADMM Cc1sc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1C ZINC000822562580 599662355 /nfs/dbraw/zinc/66/23/55/599662355.db2.gz BQVDZZJRKYZTAJ-UHFFFAOYSA-N -1 1 372.410 2.044 20 0 FEADMM CN(CCCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)C(=O)[O-] ZINC000737529429 599729361 /nfs/dbraw/zinc/72/93/61/599729361.db2.gz JBUOCTUAUSHHLW-UHFFFAOYSA-N -1 1 368.865 2.420 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736776219 599780134 /nfs/dbraw/zinc/78/01/34/599780134.db2.gz USLUVLIZYHDAJS-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM O=C([O-])COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000739819696 599787687 /nfs/dbraw/zinc/78/76/87/599787687.db2.gz XOKRTLZZGJVDJL-UHFFFAOYSA-N -1 1 369.782 2.382 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C2OCCO2)C1 ZINC000738521816 599810605 /nfs/dbraw/zinc/81/06/05/599810605.db2.gz ZVFUUNNLALAGBM-UKRRQHHQSA-N -1 1 362.426 2.105 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C2OCCO2)C1 ZINC000738521811 599810643 /nfs/dbraw/zinc/81/06/43/599810643.db2.gz ZVFUUNNLALAGBM-HIFRSBDPSA-N -1 1 362.426 2.105 20 0 FEADMM CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736932190 599840877 /nfs/dbraw/zinc/84/08/77/599840877.db2.gz MPZJONYRYSAJQL-KXBFYZLASA-N -1 1 359.426 2.130 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000609219181 599851983 /nfs/dbraw/zinc/85/19/83/599851983.db2.gz PRIDXLMXUDSIDU-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CC(C)(C)C1CCC2(CC(=O)N(CN3CC[C@@H](C(=O)[O-])C3)C2=O)CC1 ZINC000736257477 599921531 /nfs/dbraw/zinc/92/15/31/599921531.db2.gz XQWKTEGLEMEJTG-VFPJAPOESA-N -1 1 350.459 2.332 20 0 FEADMM CS(=O)(=O)N[C@@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000738158841 599937153 /nfs/dbraw/zinc/93/71/53/599937153.db2.gz ZIJWZSQNIWMBIE-LLVKDONJSA-N -1 1 368.480 2.113 20 0 FEADMM CC(C)(C)CN(CCO)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736261480 600127302 /nfs/dbraw/zinc/12/73/02/600127302.db2.gz OUAFAFCWIIXKCU-UHFFFAOYSA-N -1 1 354.472 2.214 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736879393 600264037 /nfs/dbraw/zinc/26/40/37/600264037.db2.gz QAIDISIZBOVRRB-JCKWVBRZSA-N -1 1 350.434 2.306 20 0 FEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736618353 600290927 /nfs/dbraw/zinc/29/09/27/600290927.db2.gz OIUFJLWWOAYSQU-OCCSQVGLSA-N -1 1 366.408 2.199 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000738026615 600292892 /nfs/dbraw/zinc/29/28/92/600292892.db2.gz OHULIQBUFPQZHZ-JSGCOSHPSA-N -1 1 362.426 2.218 20 0 FEADMM CCCOCc1ccccc1CNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737027743 600305692 /nfs/dbraw/zinc/30/56/92/600305692.db2.gz ISRDHEKSZOSSCY-GOSISDBHSA-N -1 1 374.481 2.416 20 0 FEADMM CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C ZINC000737148444 600311867 /nfs/dbraw/zinc/31/18/67/600311867.db2.gz MPJONSAZLVZZIB-CYBMUJFWSA-N -1 1 362.426 2.178 20 0 FEADMM CNC(=O)[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000737539558 600330611 /nfs/dbraw/zinc/33/06/11/600330611.db2.gz RKTQGQBBOLRZIP-CQSZACIVSA-N -1 1 359.451 2.466 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCN1CCOC ZINC000736940321 600337643 /nfs/dbraw/zinc/33/76/43/600337643.db2.gz SPSVMMORQYUEBQ-OAHLLOKOSA-N -1 1 364.446 2.375 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCN1CCOC ZINC000736941586 600339149 /nfs/dbraw/zinc/33/91/49/600339149.db2.gz YWROXXIIGDYUON-QGZVFWFLSA-N -1 1 363.458 2.278 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390671222 600345552 /nfs/dbraw/zinc/34/55/52/600345552.db2.gz VLOWFJLYNAUKLG-CQSZACIVSA-N -1 1 362.451 2.184 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)c1 ZINC000738144036 600387801 /nfs/dbraw/zinc/38/78/01/600387801.db2.gz ZYCARIGMFORVCC-UHFFFAOYSA-N -1 1 374.372 2.282 20 0 FEADMM C[C@@H](NC(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1)c1ccccc1Cl ZINC000736640225 600515711 /nfs/dbraw/zinc/51/57/11/600515711.db2.gz JQISVQQJKSDENS-ZIAGYGMSSA-N -1 1 368.861 2.473 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738404962 600526150 /nfs/dbraw/zinc/52/61/50/600526150.db2.gz DZFIJWGFHQBJDZ-UHFFFAOYSA-N -1 1 372.425 2.360 20 0 FEADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000736763338 600666626 /nfs/dbraw/zinc/66/66/26/600666626.db2.gz WWLNNPFVYSMLGH-OKILXGFUSA-N -1 1 361.442 2.033 20 0 FEADMM CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000302909885 600695165 /nfs/dbraw/zinc/69/51/65/600695165.db2.gz STUYMFRPPUBECO-UHFFFAOYSA-N -1 1 368.480 2.199 20 0 FEADMM Cc1cc(S(=O)(=O)NCC(C)(C)N2CCCCC2)ccc1C(=O)[O-] ZINC000832903153 600705966 /nfs/dbraw/zinc/70/59/66/600705966.db2.gz ZDQIJQGFKMCXJH-UHFFFAOYSA-N -1 1 354.472 2.236 20 0 FEADMM COCCn1c(C)c(C)n(CN(CCC(=O)[O-])C2CCOCC2)c1=S ZINC000831800965 600719327 /nfs/dbraw/zinc/71/93/27/600719327.db2.gz VOXQYWNGXVVSKZ-UHFFFAOYSA-N -1 1 371.503 2.196 20 0 FEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CCN1C ZINC000828167145 600760227 /nfs/dbraw/zinc/76/02/27/600760227.db2.gz CCCIWRDRQCKQAF-GWCFXTLKSA-N -1 1 360.863 2.141 20 0 FEADMM O[C@H](C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000823672379 607468793 /nfs/dbraw/zinc/46/87/93/607468793.db2.gz DKVWHIUMDRSRPC-GDBMZVCRSA-N -1 1 354.389 2.493 20 0 FEADMM O[C@H](C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000823672379 607468794 /nfs/dbraw/zinc/46/87/94/607468794.db2.gz DKVWHIUMDRSRPC-GDBMZVCRSA-N -1 1 354.389 2.493 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CCC(OCC3CCCCC3)CC2)CC1 ZINC000833189964 600837429 /nfs/dbraw/zinc/83/74/29/600837429.db2.gz FIUFKESBJPRDDT-UHFFFAOYSA-N -1 1 366.502 2.371 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1)C(=O)[O-] ZINC000828718716 600852467 /nfs/dbraw/zinc/85/24/67/600852467.db2.gz NWFLUTAOYQTNFQ-WFEDQXDTSA-N -1 1 362.470 2.190 20 0 FEADMM CN1CCN(Cc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000830955069 600889174 /nfs/dbraw/zinc/88/91/74/600889174.db2.gz ZTPDVPIICCXONU-IRXDYDNUSA-N -1 1 359.470 2.264 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000739180459 600892488 /nfs/dbraw/zinc/89/24/88/600892488.db2.gz IMUNELOJMJIUTN-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM Cc1nnc(SCCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)[nH]1 ZINC000833021888 600909281 /nfs/dbraw/zinc/90/92/81/600909281.db2.gz RGEAIJOVTJQFIG-LBPRGKRZSA-N -1 1 352.391 2.067 20 0 FEADMM Cc1nnc(SCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)[nH]1 ZINC000832990514 600979532 /nfs/dbraw/zinc/97/95/32/600979532.db2.gz DGTIZIXNMZUDFE-NSHDSACASA-N -1 1 354.819 2.191 20 0 FEADMM Cc1n[nH]c(SCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)n1 ZINC000832990514 600979534 /nfs/dbraw/zinc/97/95/34/600979534.db2.gz DGTIZIXNMZUDFE-NSHDSACASA-N -1 1 354.819 2.191 20 0 FEADMM CCCN1CCN(c2ccc(NC(=O)NCCC(=O)[O-])cc2Cl)CC1 ZINC000818176397 601028420 /nfs/dbraw/zinc/02/84/20/601028420.db2.gz XJXVNQXMPBSIIF-UHFFFAOYSA-N -1 1 368.865 2.468 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222167 601083991 /nfs/dbraw/zinc/08/39/91/601083991.db2.gz DYFGKSGNZJJPKT-NSHDSACASA-N -1 1 369.259 2.379 20 0 FEADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000738958198 601104924 /nfs/dbraw/zinc/10/49/24/601104924.db2.gz WAYMHERGVCQIIH-AWEZNQCLSA-N -1 1 362.430 2.499 20 0 FEADMM CC(C)(C)c1nc([C@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)n[nH]1 ZINC000736300183 601106940 /nfs/dbraw/zinc/10/69/40/601106940.db2.gz XJHNLPWJGRCFSE-KGLIPLIRSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nnc([C@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)[nH]1 ZINC000736300183 601106942 /nfs/dbraw/zinc/10/69/42/601106942.db2.gz XJHNLPWJGRCFSE-KGLIPLIRSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nc([C@@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)n[nH]1 ZINC000736300424 601106947 /nfs/dbraw/zinc/10/69/47/601106947.db2.gz XVAIXUYFTUAYSY-UONOGXRCSA-N -1 1 362.405 2.441 20 0 FEADMM CC(C)(C)c1nnc([C@@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)[nH]1 ZINC000736300424 601106949 /nfs/dbraw/zinc/10/69/49/601106949.db2.gz XVAIXUYFTUAYSY-UONOGXRCSA-N -1 1 362.405 2.441 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)N1CCC(C)CC1 ZINC000828286439 601228469 /nfs/dbraw/zinc/22/84/69/601228469.db2.gz UDKUKUOYKZZKGJ-SBJJXXPASA-N -1 1 366.483 2.183 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1C ZINC000327353553 601240766 /nfs/dbraw/zinc/24/07/66/601240766.db2.gz JHMUXNJXQRBTKO-INIZCTEOSA-N -1 1 366.483 2.251 20 0 FEADMM CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828879737 601258991 /nfs/dbraw/zinc/25/89/91/601258991.db2.gz NYMRUZVBWOBTCT-LBPRGKRZSA-N -1 1 360.863 2.191 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000735647275 601332679 /nfs/dbraw/zinc/33/26/79/601332679.db2.gz XPUMYKKWSBIVGA-UHFFFAOYSA-N -1 1 366.370 2.307 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000833012065 601523734 /nfs/dbraw/zinc/52/37/34/601523734.db2.gz XRQPMLWOGAOKKY-WBMJQRKESA-N -1 1 356.426 2.080 20 0 FEADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C[C@@H]1C(=O)[O-] ZINC000828349494 601648002 /nfs/dbraw/zinc/64/80/02/601648002.db2.gz PHTQAZAEJCNQBT-DYVFJYSZSA-N -1 1 363.433 2.152 20 0 FEADMM Cc1ncc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)s1 ZINC000833008431 601735663 /nfs/dbraw/zinc/73/56/63/601735663.db2.gz ZOCWEPPRSYHLMK-GOSISDBHSA-N -1 1 359.451 2.301 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000829571456 601778928 /nfs/dbraw/zinc/77/89/28/601778928.db2.gz SEVAEPCERKBZSZ-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cccc(C(=O)[O-])c3)CCO2)n1 ZINC000829571456 601778929 /nfs/dbraw/zinc/77/89/29/601778929.db2.gz SEVAEPCERKBZSZ-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)c2)CC1 ZINC000830954741 601786203 /nfs/dbraw/zinc/78/62/03/601786203.db2.gz HSUFIFVUQYBLJE-LJQANCHMSA-N -1 1 373.497 2.197 20 0 FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000830603944 601799882 /nfs/dbraw/zinc/79/98/82/601799882.db2.gz AUJWNBFRUOGRCP-UHFFFAOYSA-N -1 1 372.462 2.409 20 0 FEADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829771055 601839603 /nfs/dbraw/zinc/83/96/03/601839603.db2.gz RHIIETHOLHZDDW-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM C[C@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000828020589 601849918 /nfs/dbraw/zinc/84/99/18/601849918.db2.gz TZNGEHZSXQWKRZ-WBMJQRKESA-N -1 1 370.327 2.134 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC000826486826 607531427 /nfs/dbraw/zinc/53/14/27/607531427.db2.gz SLNKXRFUQBMSFM-INIZCTEOSA-N -1 1 355.423 2.254 20 0 FEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC000826486826 607531429 /nfs/dbraw/zinc/53/14/29/607531429.db2.gz SLNKXRFUQBMSFM-INIZCTEOSA-N -1 1 355.423 2.254 20 0 FEADMM O=C([O-])c1cccc(N2CC(=O)N(CN3CCC4(CCCC4)C3)C2=O)c1 ZINC000833330100 601882681 /nfs/dbraw/zinc/88/26/81/601882681.db2.gz MUJBJDICNYJPSE-UHFFFAOYSA-N -1 1 357.410 2.377 20 0 FEADMM CN(Cc1ccc(C(N)=O)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830819398 601903414 /nfs/dbraw/zinc/90/34/14/601903414.db2.gz JELHIQQLHXZHFZ-HNNXBMFYSA-N -1 1 352.312 2.461 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 ZINC000740369602 601929907 /nfs/dbraw/zinc/92/99/07/601929907.db2.gz ORLKDEMELBRXAI-IRXDYDNUSA-N -1 1 363.433 2.439 20 0 FEADMM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000828160045 601956608 /nfs/dbraw/zinc/95/66/08/601956608.db2.gz FABBKUWFLUQAKG-IJLUTSLNSA-N -1 1 360.501 2.091 20 0 FEADMM CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccncc1 ZINC000825796763 607538499 /nfs/dbraw/zinc/53/84/99/607538499.db2.gz MTEQQELEECZODX-UHFFFAOYSA-N -1 1 365.426 2.227 20 0 FEADMM CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccncc1 ZINC000825796763 607538501 /nfs/dbraw/zinc/53/85/01/607538501.db2.gz MTEQQELEECZODX-UHFFFAOYSA-N -1 1 365.426 2.227 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000740345183 602024069 /nfs/dbraw/zinc/02/40/69/602024069.db2.gz JVBNINJFRYDNGL-HNNXBMFYSA-N -1 1 369.425 2.320 20 0 FEADMM CN(Cc1cn(C)nc1C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825991908 607540592 /nfs/dbraw/zinc/54/05/92/607540592.db2.gz LMEPUPXSPRQQBV-UHFFFAOYSA-N -1 1 372.742 2.304 20 0 FEADMM CN(Cc1cn(C)nc1C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825991908 607540593 /nfs/dbraw/zinc/54/05/93/607540593.db2.gz LMEPUPXSPRQQBV-UHFFFAOYSA-N -1 1 372.742 2.304 20 0 FEADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000739582791 602053898 /nfs/dbraw/zinc/05/38/98/602053898.db2.gz NGQFJAMKLWLZBY-LSDHHAIUSA-N -1 1 364.446 2.200 20 0 FEADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000829961105 602076547 /nfs/dbraw/zinc/07/65/47/602076547.db2.gz PIFGNUUIOFCYHK-CQSZACIVSA-N -1 1 351.790 2.292 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccsc1 ZINC000739604802 602086611 /nfs/dbraw/zinc/08/66/11/602086611.db2.gz AGNYSDAYUOQSGT-OCCSQVGLSA-N -1 1 354.476 2.040 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000574258124 602086639 /nfs/dbraw/zinc/08/66/39/602086639.db2.gz CBVPQGZDDPUNFE-PBHICJAKSA-N -1 1 353.850 2.449 20 0 FEADMM Clc1ccccc1N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826353128 607545890 /nfs/dbraw/zinc/54/58/90/607545890.db2.gz CCXATLRUUQFJPX-UHFFFAOYSA-N -1 1 355.833 2.237 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000739239670 602123900 /nfs/dbraw/zinc/12/39/00/602123900.db2.gz SMSUNZTXQOMGOU-YOEHRIQHSA-N -1 1 362.474 2.055 20 0 FEADMM Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1C(=O)NC(C)C ZINC000826291683 607551061 /nfs/dbraw/zinc/55/10/61/607551061.db2.gz QUMZGNAGQLZUAJ-UHFFFAOYSA-N -1 1 351.414 2.320 20 0 FEADMM Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1C(=O)NC(C)C ZINC000826291683 607551062 /nfs/dbraw/zinc/55/10/62/607551062.db2.gz QUMZGNAGQLZUAJ-UHFFFAOYSA-N -1 1 351.414 2.320 20 0 FEADMM COc1cc(OC)cc([C@@H](NCc2cccc(C(=O)N(C)C)c2)C(=O)[O-])c1 ZINC000832058023 602167313 /nfs/dbraw/zinc/16/73/13/602167313.db2.gz UIIMREPUTGYXOA-GOSISDBHSA-N -1 1 372.421 2.321 20 0 FEADMM FC(F)(F)c1cccnc1OCCNc1cccc(-c2nnn[n-]2)n1 ZINC000826368826 607563541 /nfs/dbraw/zinc/56/35/41/607563541.db2.gz CGFLOJUWJIHOGB-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1cccnc1OCCNc1cccc(-c2nn[n-]n2)n1 ZINC000826368826 607563543 /nfs/dbraw/zinc/56/35/43/607563543.db2.gz CGFLOJUWJIHOGB-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000740669386 602448289 /nfs/dbraw/zinc/44/82/89/602448289.db2.gz YMVKWEFSGVLGME-UHFFFAOYSA-N -1 1 372.349 2.412 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000739910337 602464713 /nfs/dbraw/zinc/46/47/13/602464713.db2.gz UYQNQUVSNCZHII-AWEZNQCLSA-N -1 1 363.458 2.022 20 0 FEADMM C[C@H]1CN(CCCNC(=O)c2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739182533 602495370 /nfs/dbraw/zinc/49/53/70/602495370.db2.gz OTWRYCLPHHSQAN-RYUDHWBXSA-N -1 1 353.394 2.145 20 0 FEADMM O=C([O-])NC[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCCC1 ZINC000740613437 602540387 /nfs/dbraw/zinc/54/03/87/602540387.db2.gz RQTNZOJBIPZIMB-INIZCTEOSA-N -1 1 357.410 2.474 20 0 FEADMM CCCN(CC(=O)NCc1ccc(C)c(F)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353242 602545231 /nfs/dbraw/zinc/54/52/31/602545231.db2.gz IHGQGKZQRQYRPI-HNNXBMFYSA-N -1 1 351.422 2.215 20 0 FEADMM O=Cc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826484028 607572489 /nfs/dbraw/zinc/57/24/89/607572489.db2.gz KKJMVMOODWBDDA-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM CCCN(CC1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825307596 607575618 /nfs/dbraw/zinc/57/56/18/607575618.db2.gz GSAPPCXNUJICBI-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CCCN(CC1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825307596 607575620 /nfs/dbraw/zinc/57/56/20/607575620.db2.gz GSAPPCXNUJICBI-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739606603 602692243 /nfs/dbraw/zinc/69/22/43/602692243.db2.gz FNNYJDNNZZJYSA-BBRMVZONSA-N -1 1 366.437 2.118 20 0 FEADMM CN1CCN(c2ccc(NC(=O)CC3CCN(C(=O)[O-])CC3)cc2)CC1 ZINC000739737277 602723231 /nfs/dbraw/zinc/72/32/31/602723231.db2.gz WQNTWRRRASLMAB-UHFFFAOYSA-N -1 1 360.458 2.157 20 0 FEADMM O=C([O-])N1CCN(CCNCc2c(Cl)cccc2OC(F)F)CC1 ZINC000740527792 602737569 /nfs/dbraw/zinc/73/75/69/602737569.db2.gz YHOLBQYXKDPUHV-UHFFFAOYSA-N -1 1 363.792 2.327 20 0 FEADMM C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739175724 602764236 /nfs/dbraw/zinc/76/42/36/602764236.db2.gz KTAQOBAQWPUIAG-JMSVASOKSA-N -1 1 353.850 2.323 20 0 FEADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739180705 602777267 /nfs/dbraw/zinc/77/72/67/602777267.db2.gz ZKVHLIOINOIFAZ-WWGRRREGSA-N -1 1 351.422 2.151 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178947 602777885 /nfs/dbraw/zinc/77/78/85/602777885.db2.gz UERYZWOGXCSHTL-LALPHHSUSA-N -1 1 353.850 2.323 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC000738950773 602786790 /nfs/dbraw/zinc/78/67/90/602786790.db2.gz GMHVVADRRYETQK-QCQGSNGOSA-N -1 1 351.422 2.369 20 0 FEADMM C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178484 602788528 /nfs/dbraw/zinc/78/85/28/602788528.db2.gz QUGAZCGYJLEZST-YIIRRNJCSA-N -1 1 363.502 2.438 20 0 FEADMM O=C([O-])N1CC[C@H](N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740505059 602875680 /nfs/dbraw/zinc/87/56/80/602875680.db2.gz JLYYJKWXXJFPOT-WCQYABFASA-N -1 1 357.332 2.153 20 0 FEADMM O=S(=O)(NC[C@H]1CC=CCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489917 607599314 /nfs/dbraw/zinc/59/93/14/607599314.db2.gz DHQKWVVTTOAEGX-JTQLQIEISA-N -1 1 353.835 2.155 20 0 FEADMM O=S(=O)(NC[C@H]1CC=CCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489917 607599316 /nfs/dbraw/zinc/59/93/16/607599316.db2.gz DHQKWVVTTOAEGX-JTQLQIEISA-N -1 1 353.835 2.155 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1CCOC ZINC000736939655 602996709 /nfs/dbraw/zinc/99/67/09/602996709.db2.gz PTFIASSDZBUTEC-HNNXBMFYSA-N -1 1 350.419 2.351 20 0 FEADMM CN(C[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000828200724 603009072 /nfs/dbraw/zinc/00/90/72/603009072.db2.gz YUCXLICMDQTYAG-LSDHHAIUSA-N -1 1 364.446 2.200 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000740517256 603057732 /nfs/dbraw/zinc/05/77/32/603057732.db2.gz OFAXSKIYTWLYKX-GJZGRUSLSA-N -1 1 370.409 2.473 20 0 FEADMM COc1ccc2[nH]cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2c1 ZINC000826212471 607605705 /nfs/dbraw/zinc/60/57/05/607605705.db2.gz RJYQJPQBTGXBQH-UHFFFAOYSA-N -1 1 350.338 2.109 20 0 FEADMM COc1ccc2[nH]cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2c1 ZINC000826212471 607605706 /nfs/dbraw/zinc/60/57/06/607605706.db2.gz RJYQJPQBTGXBQH-UHFFFAOYSA-N -1 1 350.338 2.109 20 0 FEADMM C[C@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738915271 603091712 /nfs/dbraw/zinc/09/17/12/603091712.db2.gz GQQYTRFFDGXHAY-RWBZWWBESA-N -1 1 374.485 2.311 20 0 FEADMM CC(C)OC(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000824309709 607606763 /nfs/dbraw/zinc/60/67/63/607606763.db2.gz WEKAJLHVGYZNIJ-UHFFFAOYSA-N -1 1 367.365 2.184 20 0 FEADMM CC(C)OC(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000824309709 607606764 /nfs/dbraw/zinc/60/67/64/607606764.db2.gz WEKAJLHVGYZNIJ-UHFFFAOYSA-N -1 1 367.365 2.184 20 0 FEADMM O=C([O-])NCCCC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739964397 603132312 /nfs/dbraw/zinc/13/23/12/603132312.db2.gz POSCLNIKZHHTPX-CQSZACIVSA-N -1 1 373.375 2.444 20 0 FEADMM O=C([O-])N1CCC[C@H](CNCc2nnc3n2CCC[C@H]3C(F)(F)F)C1 ZINC000831981040 603178426 /nfs/dbraw/zinc/17/84/26/603178426.db2.gz SUUGJZFXKQRDCC-GHMZBOCLSA-N -1 1 361.368 2.197 20 0 FEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824919508 607614656 /nfs/dbraw/zinc/61/46/56/607614656.db2.gz VSWZFOURPHCNDC-GBIKHYSHSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000824915541 607614916 /nfs/dbraw/zinc/61/49/16/607614916.db2.gz GBLRPMWQCFRBHG-JFGNBEQYSA-N -1 1 353.423 2.109 20 0 FEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824915541 607614917 /nfs/dbraw/zinc/61/49/17/607614917.db2.gz GBLRPMWQCFRBHG-JFGNBEQYSA-N -1 1 353.423 2.109 20 0 FEADMM CCc1ncsc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825755505 607616997 /nfs/dbraw/zinc/61/69/97/607616997.db2.gz YZKSJXHKTNWIRZ-UHFFFAOYSA-N -1 1 373.442 2.174 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827229107 603283811 /nfs/dbraw/zinc/28/38/11/603283811.db2.gz UQRSMOHDNKCSOQ-LBPRGKRZSA-N -1 1 368.865 2.467 20 0 FEADMM O=C([O-])N[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000740528775 603291495 /nfs/dbraw/zinc/29/14/95/603291495.db2.gz BBDAIDVMPWYBGD-CABCVRRESA-N -1 1 351.834 2.345 20 0 FEADMM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739738346 603347103 /nfs/dbraw/zinc/34/71/03/603347103.db2.gz DRJWKJCOVALFRZ-ZDUSSCGKSA-N -1 1 373.375 2.253 20 0 FEADMM C[C@H](CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)[O-] ZINC000738898805 603355452 /nfs/dbraw/zinc/35/54/52/603355452.db2.gz BBDAUHUDVOHFNR-ZIAGYGMSSA-N -1 1 352.435 2.152 20 0 FEADMM CCN(CC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)C(=O)[O-] ZINC000739391211 603425641 /nfs/dbraw/zinc/42/56/41/603425641.db2.gz CMMKJOHKOWHPIH-MRXNPFEDSA-N -1 1 363.458 2.338 20 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/nfs/dbraw/zinc/60/07/51/605600751.db2.gz NVIMQFAJSMPLHV-UHFFFAOYSA-N -1 1 361.375 2.459 20 0 FEADMM O=C([O-])NCCN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000834239353 605729902 /nfs/dbraw/zinc/72/99/02/605729902.db2.gz LPCYKZXGTQZAQF-AWEZNQCLSA-N -1 1 357.414 2.109 20 0 FEADMM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000833806240 605797598 /nfs/dbraw/zinc/79/75/98/605797598.db2.gz CYOFGJZXZGSPIU-FZMZJTMJSA-N -1 1 356.854 2.146 20 0 FEADMM O=C([O-])N1CC[C@@H](NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834081705 605822878 /nfs/dbraw/zinc/82/28/78/605822878.db2.gz DZCGCXLFFUDHMD-KGLIPLIRSA-N -1 1 370.413 2.071 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CN[C@H]1CCN(C(=O)[O-])C1 ZINC000829904224 605831540 /nfs/dbraw/zinc/83/15/40/605831540.db2.gz JBWWKXYAGMCUEB-NSHDSACASA-N -1 1 356.220 2.038 20 0 FEADMM Cc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)ccc1NC(=O)[O-] ZINC000829919412 605883460 /nfs/dbraw/zinc/88/34/60/605883460.db2.gz JXGVJINVXLFCFA-UHFFFAOYSA-N -1 1 361.442 2.269 20 0 FEADMM CCS(=O)(=O)CCN[C@H](c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833863026 605981843 /nfs/dbraw/zinc/98/18/43/605981843.db2.gz FOVLIXSTEHTWGW-MRXNPFEDSA-N -1 1 372.462 2.281 20 0 FEADMM CC(C)CN1CCO[C@@H](COC(=O)Cc2ccccc2NC(=O)[O-])C1 ZINC000833796230 606092156 /nfs/dbraw/zinc/09/21/56/606092156.db2.gz LFKLWJYSAQHENA-OAHLLOKOSA-N -1 1 350.415 2.219 20 0 FEADMM O=C([O-])Nc1ccccc1CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000834271110 606098336 /nfs/dbraw/zinc/09/83/36/606098336.db2.gz GJSHOKONLMUBSV-UHFFFAOYSA-N -1 1 368.437 2.495 20 0 FEADMM O=C(OCc1noc(-c2ccsc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823445086 606139007 /nfs/dbraw/zinc/13/90/07/606139007.db2.gz RMNHWYYOZSKYQT-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM O=C(OCc1noc(-c2ccsc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823445086 606139008 /nfs/dbraw/zinc/13/90/08/606139008.db2.gz RMNHWYYOZSKYQT-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2ccc(C)cc2F)c(-c2nn[n-]n2)c1C ZINC000822227456 606140851 /nfs/dbraw/zinc/14/08/51/606140851.db2.gz JOCBHQBYIXBKIR-UHFFFAOYSA-N -1 1 373.344 2.320 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C(C)(C)C1 ZINC000820770232 606144802 /nfs/dbraw/zinc/14/48/02/606144802.db2.gz ZRWLTUIUONVMAW-SECBINFHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C(C)(C)C1 ZINC000820770232 606144804 /nfs/dbraw/zinc/14/48/04/606144804.db2.gz ZRWLTUIUONVMAW-SECBINFHSA-N -1 1 355.851 2.329 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCc2cccc(Cl)c2)n1 ZINC000822614676 606157648 /nfs/dbraw/zinc/15/76/48/606157648.db2.gz PUZZAJLAYNQNRL-UHFFFAOYSA-N -1 1 360.809 2.008 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCc2cccc(Cl)c2)n1 ZINC000822614676 606157650 /nfs/dbraw/zinc/15/76/50/606157650.db2.gz PUZZAJLAYNQNRL-UHFFFAOYSA-N -1 1 360.809 2.008 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 ZINC000822613745 606159332 /nfs/dbraw/zinc/15/93/32/606159332.db2.gz GLDJLUFWENMEIL-UHFFFAOYSA-N -1 1 372.820 2.107 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 ZINC000822613745 606159334 /nfs/dbraw/zinc/15/93/34/606159334.db2.gz GLDJLUFWENMEIL-UHFFFAOYSA-N -1 1 372.820 2.107 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000822609102 606162775 /nfs/dbraw/zinc/16/27/75/606162775.db2.gz JTEHSCSNRLZHRS-UHFFFAOYSA-N -1 1 366.429 2.087 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000822609102 606162777 /nfs/dbraw/zinc/16/27/77/606162777.db2.gz JTEHSCSNRLZHRS-UHFFFAOYSA-N -1 1 366.429 2.087 20 0 FEADMM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822356200 606171165 /nfs/dbraw/zinc/17/11/65/606171165.db2.gz MZSOIZXFIMKPEI-CQSZACIVSA-N -1 1 366.429 2.148 20 0 FEADMM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822356200 606171167 /nfs/dbraw/zinc/17/11/67/606171167.db2.gz MZSOIZXFIMKPEI-CQSZACIVSA-N -1 1 366.429 2.148 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000822609794 606173708 /nfs/dbraw/zinc/17/37/08/606173708.db2.gz VHZDMLZZCVQPDN-CQSZACIVSA-N -1 1 366.429 2.402 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000822609794 606173709 /nfs/dbraw/zinc/17/37/09/606173709.db2.gz VHZDMLZZCVQPDN-CQSZACIVSA-N -1 1 366.429 2.402 20 0 FEADMM CC(C)C(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820012055 606215847 /nfs/dbraw/zinc/21/58/47/606215847.db2.gz SKZFJGGMQMGVTK-ZDUSSCGKSA-N -1 1 365.441 2.156 20 0 FEADMM CC(C)C(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820012055 606215849 /nfs/dbraw/zinc/21/58/49/606215849.db2.gz SKZFJGGMQMGVTK-ZDUSSCGKSA-N -1 1 365.441 2.156 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821361708 606284407 /nfs/dbraw/zinc/28/44/07/606284407.db2.gz WRNFTHZHDFNDFS-LSDHHAIUSA-N -1 1 356.430 2.119 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821361708 606284409 /nfs/dbraw/zinc/28/44/09/606284409.db2.gz WRNFTHZHDFNDFS-LSDHHAIUSA-N -1 1 356.430 2.119 20 0 FEADMM Cc1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nnc1C ZINC000810185922 674535947 /nfs/dbraw/zinc/53/59/47/674535947.db2.gz MJXOTSKQGOXNCF-NSHDSACASA-N -1 1 359.352 2.016 20 0 FEADMM Cc1nc2nc(Sc3ccc(Cl)c(-c4nnn[n-]4)n3)nn2c(C)c1C ZINC000822467137 606459391 /nfs/dbraw/zinc/45/93/91/606459391.db2.gz IBDRLIWPXCRUKL-UHFFFAOYSA-N -1 1 373.833 2.429 20 0 FEADMM Cc1nc2nc(Sc3ccc(Cl)c(-c4nn[n-]n4)n3)nn2c(C)c1C ZINC000822467137 606459392 /nfs/dbraw/zinc/45/93/92/606459392.db2.gz IBDRLIWPXCRUKL-UHFFFAOYSA-N -1 1 373.833 2.429 20 0 FEADMM COCCOc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821693487 606469944 /nfs/dbraw/zinc/46/99/44/606469944.db2.gz ASZBWCMESWMKEF-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM COCCOc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821693487 606469946 /nfs/dbraw/zinc/46/99/46/606469946.db2.gz ASZBWCMESWMKEF-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821727344 606490186 /nfs/dbraw/zinc/49/01/86/606490186.db2.gz IBVVLAZNMAJPEE-UHFFFAOYSA-N -1 1 371.422 2.144 20 0 FEADMM COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821727344 606490188 /nfs/dbraw/zinc/49/01/88/606490188.db2.gz IBVVLAZNMAJPEE-UHFFFAOYSA-N -1 1 371.422 2.144 20 0 FEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](c2ccccc2)C1 ZINC000821626894 606496911 /nfs/dbraw/zinc/49/69/11/606496911.db2.gz DFRRMVDKUUBKSX-ZDUSSCGKSA-N -1 1 354.439 2.057 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000823478361 606509598 /nfs/dbraw/zinc/50/95/98/606509598.db2.gz KDYNVHZVRMVPAX-MNOVXSKESA-N -1 1 365.484 2.055 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000823478361 606509599 /nfs/dbraw/zinc/50/95/99/606509599.db2.gz KDYNVHZVRMVPAX-MNOVXSKESA-N -1 1 365.484 2.055 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000823483917 606516294 /nfs/dbraw/zinc/51/62/94/606516294.db2.gz OVAVUQCTVIUXTE-MRVPVSSYSA-N -1 1 361.349 2.112 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000823483917 606516296 /nfs/dbraw/zinc/51/62/96/606516296.db2.gz OVAVUQCTVIUXTE-MRVPVSSYSA-N -1 1 361.349 2.112 20 0 FEADMM COCCN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821689990 606524805 /nfs/dbraw/zinc/52/48/05/606524805.db2.gz VAKXUSIAKIVVNO-UHFFFAOYSA-N -1 1 357.439 2.260 20 0 FEADMM COCCN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821689990 606524806 /nfs/dbraw/zinc/52/48/06/606524806.db2.gz VAKXUSIAKIVVNO-UHFFFAOYSA-N -1 1 357.439 2.260 20 0 FEADMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820288659 606531873 /nfs/dbraw/zinc/53/18/73/606531873.db2.gz WOOFUUFQHPHGFP-MRVPVSSYSA-N -1 1 365.365 2.404 20 0 FEADMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820288659 606531875 /nfs/dbraw/zinc/53/18/75/606531875.db2.gz WOOFUUFQHPHGFP-MRVPVSSYSA-N -1 1 365.365 2.404 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000823479010 606550600 /nfs/dbraw/zinc/55/06/00/606550600.db2.gz ZOWFNFYHQQXOFX-AWEZNQCLSA-N -1 1 369.450 2.402 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000823479010 606550603 /nfs/dbraw/zinc/55/06/03/606550603.db2.gz ZOWFNFYHQQXOFX-AWEZNQCLSA-N -1 1 369.450 2.402 20 0 FEADMM CCc1ccc([C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000821481823 606568217 /nfs/dbraw/zinc/56/82/17/606568217.db2.gz OVYPDGSKGGXSLQ-LLVKDONJSA-N -1 1 359.411 2.297 20 0 FEADMM CCc1ccc([C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000821481823 606568219 /nfs/dbraw/zinc/56/82/19/606568219.db2.gz OVYPDGSKGGXSLQ-LLVKDONJSA-N -1 1 359.411 2.297 20 0 FEADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2n1 ZINC000821716897 606574257 /nfs/dbraw/zinc/57/42/57/606574257.db2.gz GIHMHRQAZBVXRS-UHFFFAOYSA-N -1 1 366.406 2.415 20 0 FEADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2n1 ZINC000821716897 606574258 /nfs/dbraw/zinc/57/42/58/606574258.db2.gz GIHMHRQAZBVXRS-UHFFFAOYSA-N -1 1 366.406 2.415 20 0 FEADMM COc1cccc(O[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821873679 606574834 /nfs/dbraw/zinc/57/48/34/606574834.db2.gz WPVAUJIRMUQLPB-JTQLQIEISA-N -1 1 359.411 2.134 20 0 FEADMM COc1cccc(O[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821873679 606574836 /nfs/dbraw/zinc/57/48/36/606574836.db2.gz WPVAUJIRMUQLPB-JTQLQIEISA-N -1 1 359.411 2.134 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823435898 606648527 /nfs/dbraw/zinc/64/85/27/606648527.db2.gz CWSOPPUBXWTZMC-VXGBXAGGSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823435898 606648528 /nfs/dbraw/zinc/64/85/28/606648528.db2.gz CWSOPPUBXWTZMC-VXGBXAGGSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823436515 606653403 /nfs/dbraw/zinc/65/34/03/606653403.db2.gz ZAGJYTPDVMPIIQ-QWRGUYRKSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823436515 606653404 /nfs/dbraw/zinc/65/34/04/606653404.db2.gz ZAGJYTPDVMPIIQ-QWRGUYRKSA-N -1 1 357.320 2.387 20 0 FEADMM O=S(=O)([N-]c1cc(-c2ccccc2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000823583162 606656152 /nfs/dbraw/zinc/65/61/52/606656152.db2.gz JOJLTXIOXFUXAU-UHFFFAOYSA-N -1 1 367.394 2.058 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H](CO)Cc2cccnc2)cc(Cl)c1[O-] ZINC000559463498 674544138 /nfs/dbraw/zinc/54/41/38/674544138.db2.gz XSQWFGUWSNAXIS-ZDUSSCGKSA-N -1 1 364.829 2.420 20 0 FEADMM Clc1ccc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)nc1 ZINC000822578898 606722969 /nfs/dbraw/zinc/72/29/69/606722969.db2.gz SVMKUNSQTCGCCW-UHFFFAOYSA-N -1 1 368.788 2.349 20 0 FEADMM Clc1ccc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)nc1 ZINC000822578898 606722971 /nfs/dbraw/zinc/72/29/71/606722971.db2.gz SVMKUNSQTCGCCW-UHFFFAOYSA-N -1 1 368.788 2.349 20 0 FEADMM Cc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822356483 606840889 /nfs/dbraw/zinc/84/08/89/606840889.db2.gz UTNWJKZLTAQKRB-UHFFFAOYSA-N -1 1 361.402 2.135 20 0 FEADMM C[C@@H]1c2ccccc2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820826517 606845041 /nfs/dbraw/zinc/84/50/41/606845041.db2.gz NFTHCNVYTVLHGZ-SNVBAGLBSA-N -1 1 359.386 2.271 20 0 FEADMM Cl/C=C(\Cl)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822563657 606919987 /nfs/dbraw/zinc/91/99/87/606919987.db2.gz LRDZUZIMGHQKLM-YFHOEESVSA-N -1 1 370.244 2.173 20 0 FEADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820667845 607107735 /nfs/dbraw/zinc/10/77/35/607107735.db2.gz OKWPIHZYZCGYQK-GZMMTYOYSA-N -1 1 369.410 2.170 20 0 FEADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820667845 607107737 /nfs/dbraw/zinc/10/77/37/607107737.db2.gz OKWPIHZYZCGYQK-GZMMTYOYSA-N -1 1 369.410 2.170 20 0 FEADMM CSC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821962782 607144951 /nfs/dbraw/zinc/14/49/51/607144951.db2.gz WRTQQLFVHZUMLC-JTQLQIEISA-N -1 1 373.891 2.036 20 0 FEADMM CCOC(=O)CCN(CC1CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821330335 607174578 /nfs/dbraw/zinc/17/45/78/607174578.db2.gz HQJWVOHRALAUMV-UHFFFAOYSA-N -1 1 350.810 2.085 20 0 FEADMM CCOC(=O)CCN(CC1CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821330335 607174579 /nfs/dbraw/zinc/17/45/79/607174579.db2.gz HQJWVOHRALAUMV-UHFFFAOYSA-N -1 1 350.810 2.085 20 0 FEADMM CCc1noc(C)c1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825771534 607855831 /nfs/dbraw/zinc/85/58/31/607855831.db2.gz MAFPUXNGJJKRHY-UHFFFAOYSA-N -1 1 371.401 2.014 20 0 FEADMM CC(C)Oc1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)n1 ZINC000824332992 607861022 /nfs/dbraw/zinc/86/10/22/607861022.db2.gz CDWQJDXZRBEGJY-UHFFFAOYSA-N -1 1 370.417 2.253 20 0 FEADMM CC(C)Oc1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)n1 ZINC000824332992 607861023 /nfs/dbraw/zinc/86/10/23/607861023.db2.gz CDWQJDXZRBEGJY-UHFFFAOYSA-N -1 1 370.417 2.253 20 0 FEADMM COc1cc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc(OC)c1 ZINC000826180384 607864437 /nfs/dbraw/zinc/86/44/37/607864437.db2.gz FJXACSKPGCJFCO-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM COc1cc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc(OC)c1 ZINC000826180384 607864438 /nfs/dbraw/zinc/86/44/38/607864438.db2.gz FJXACSKPGCJFCO-UHFFFAOYSA-N -1 1 373.344 2.041 20 0 FEADMM Cc1ncsc1-c1nc(COc2cccc(F)c2-c2nnn[n-]2)no1 ZINC000826331491 607866112 /nfs/dbraw/zinc/86/61/12/607866112.db2.gz KQFGRMQTPUITQC-UHFFFAOYSA-N -1 1 359.346 2.400 20 0 FEADMM Cc1ncsc1-c1nc(COc2cccc(F)c2-c2nn[n-]n2)no1 ZINC000826331491 607866113 /nfs/dbraw/zinc/86/61/13/607866113.db2.gz KQFGRMQTPUITQC-UHFFFAOYSA-N -1 1 359.346 2.400 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCc1cccc(Cl)c1 ZINC000826418427 607866464 /nfs/dbraw/zinc/86/64/64/607866464.db2.gz GSCQYPUSRRWXCQ-UHFFFAOYSA-N -1 1 361.764 2.354 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCc1cccc(Cl)c1 ZINC000826418427 607866465 /nfs/dbraw/zinc/86/64/65/607866465.db2.gz GSCQYPUSRRWXCQ-UHFFFAOYSA-N -1 1 361.764 2.354 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC1C2CC3CC(C2)CC1C3 ZINC000826418612 607866572 /nfs/dbraw/zinc/86/65/72/607866572.db2.gz OILDKEQDMOQPRC-UHFFFAOYSA-N -1 1 371.416 2.326 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC1C2CC3CC(C2)CC1C3 ZINC000826418612 607866573 /nfs/dbraw/zinc/86/65/73/607866573.db2.gz OILDKEQDMOQPRC-UHFFFAOYSA-N -1 1 371.416 2.326 20 0 FEADMM CCc1cccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825723261 607874602 /nfs/dbraw/zinc/87/46/02/607874602.db2.gz VSNZPQMVDQYUSB-ZDUSSCGKSA-N -1 1 358.373 2.387 20 0 FEADMM CCc1cccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825723261 607874603 /nfs/dbraw/zinc/87/46/03/607874603.db2.gz VSNZPQMVDQYUSB-ZDUSSCGKSA-N -1 1 358.373 2.387 20 0 FEADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000826104135 607902309 /nfs/dbraw/zinc/90/23/09/607902309.db2.gz QFHJHTFCHWIXSW-ZDUSSCGKSA-N -1 1 352.398 2.077 20 0 FEADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000826104135 607902310 /nfs/dbraw/zinc/90/23/10/607902310.db2.gz QFHJHTFCHWIXSW-ZDUSSCGKSA-N -1 1 352.398 2.077 20 0 FEADMM Cc1cc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)n2c2ccccc12 ZINC000826272863 607987712 /nfs/dbraw/zinc/98/77/12/607987712.db2.gz FFFVWWCWYMSCSE-UHFFFAOYSA-N -1 1 361.394 2.312 20 0 FEADMM Cc1cc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)n2c2ccccc12 ZINC000826272863 607987713 /nfs/dbraw/zinc/98/77/13/607987713.db2.gz FFFVWWCWYMSCSE-UHFFFAOYSA-N -1 1 361.394 2.312 20 0 FEADMM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826273801 608008021 /nfs/dbraw/zinc/00/80/21/608008021.db2.gz UYWABQCCRUAVLP-UHFFFAOYSA-N -1 1 365.357 2.208 20 0 FEADMM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826273801 608008022 /nfs/dbraw/zinc/00/80/22/608008022.db2.gz UYWABQCCRUAVLP-UHFFFAOYSA-N -1 1 365.357 2.208 20 0 FEADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000824999131 608100488 /nfs/dbraw/zinc/10/04/88/608100488.db2.gz CPBDWXBTYHBITC-LURJTMIESA-N -1 1 367.788 2.049 20 0 FEADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000824999131 608100489 /nfs/dbraw/zinc/10/04/89/608100489.db2.gz CPBDWXBTYHBITC-LURJTMIESA-N -1 1 367.788 2.049 20 0 FEADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824080103 608125377 /nfs/dbraw/zinc/12/53/77/608125377.db2.gz UOOMUPNECHTVRE-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477353 608148888 /nfs/dbraw/zinc/14/88/88/608148888.db2.gz ASVSKRKTZJGWES-CYBMUJFWSA-N -1 1 373.779 2.272 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477353 608148890 /nfs/dbraw/zinc/14/88/90/608148890.db2.gz ASVSKRKTZJGWES-CYBMUJFWSA-N -1 1 373.779 2.272 20 0 FEADMM Cc1nc(C[C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)no1 ZINC000826325393 608180933 /nfs/dbraw/zinc/18/09/33/608180933.db2.gz WFDZGFJPURYFQI-QMMMGPOBSA-N -1 1 366.838 2.127 20 0 FEADMM Cc1nc(C[C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)no1 ZINC000826325393 608180934 /nfs/dbraw/zinc/18/09/34/608180934.db2.gz WFDZGFJPURYFQI-QMMMGPOBSA-N -1 1 366.838 2.127 20 0 FEADMM Cc1nn(-c2ccccc2)c(CN(C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826331844 608312989 /nfs/dbraw/zinc/31/29/89/608312989.db2.gz AHCXAPOKQLBZAF-UHFFFAOYSA-N -1 1 351.336 2.355 20 0 FEADMM CN(Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825966095 608390045 /nfs/dbraw/zinc/39/00/45/608390045.db2.gz NTDSMPIOORDGQF-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CN(Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825966095 608390046 /nfs/dbraw/zinc/39/00/46/608390046.db2.gz NTDSMPIOORDGQF-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824108253 608424254 /nfs/dbraw/zinc/42/42/54/608424254.db2.gz DHOPXVGQLGWUHR-RYUDHWBXSA-N -1 1 374.449 2.152 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824108253 608424255 /nfs/dbraw/zinc/42/42/55/608424255.db2.gz DHOPXVGQLGWUHR-RYUDHWBXSA-N -1 1 374.449 2.152 20 0 FEADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(OC[C@H]2CCCO2)c1 ZINC000826288320 608432019 /nfs/dbraw/zinc/43/20/19/608432019.db2.gz BGQJCNWBJBHTAU-CQSZACIVSA-N -1 1 367.413 2.135 20 0 FEADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(OC[C@H]2CCCO2)c1 ZINC000826288320 608432020 /nfs/dbraw/zinc/43/20/20/608432020.db2.gz BGQJCNWBJBHTAU-CQSZACIVSA-N -1 1 367.413 2.135 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000826280105 608546211 /nfs/dbraw/zinc/54/62/11/608546211.db2.gz NPKPGCNLBNXFON-OAHLLOKOSA-N -1 1 358.446 2.125 20 0 FEADMM CC1(C)CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824803388 608563274 /nfs/dbraw/zinc/56/32/74/608563274.db2.gz UNPVFOVCAWEJTF-SECBINFHSA-N -1 1 355.851 2.377 20 0 FEADMM CC1(C)CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824803388 608563276 /nfs/dbraw/zinc/56/32/76/608563276.db2.gz UNPVFOVCAWEJTF-SECBINFHSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824900271 608564870 /nfs/dbraw/zinc/56/48/70/608564870.db2.gz UFKWEFDLEZSTTC-NTZNESFSSA-N -1 1 365.434 2.348 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824900271 608564871 /nfs/dbraw/zinc/56/48/71/608564871.db2.gz UFKWEFDLEZSTTC-NTZNESFSSA-N -1 1 365.434 2.348 20 0 FEADMM CC[C@H](C)[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825050306 609147405 /nfs/dbraw/zinc/14/74/05/609147405.db2.gz HQTZKNDMHMOOBQ-RYUDHWBXSA-N -1 1 373.461 2.063 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC2(C1)CCCCC2 ZINC000826232662 609248461 /nfs/dbraw/zinc/24/84/61/609248461.db2.gz CFJIGBLOCALJKD-UHFFFAOYSA-N -1 1 370.457 2.309 20 0 FEADMM CC[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000825184390 609288833 /nfs/dbraw/zinc/28/88/33/609288833.db2.gz TUKVQIDDAXBPBZ-GWCFXTLKSA-N -1 1 371.376 2.088 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1C[C@@H]1C1CC1 ZINC000826458334 609289930 /nfs/dbraw/zinc/28/99/30/609289930.db2.gz MEXMKIZATPYWRP-GHMZBOCLSA-N -1 1 353.361 2.176 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824897441 609567075 /nfs/dbraw/zinc/56/70/75/609567075.db2.gz AIECVZOIICONPU-SUNKGSAMSA-N -1 1 365.434 2.348 20 0 FEADMM CCC[C@@H]1C[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825254461 609590999 /nfs/dbraw/zinc/59/09/99/609590999.db2.gz RTJDOEKDBUBSDB-VXGBXAGGSA-N -1 1 361.450 2.352 20 0 FEADMM CCC[C@@H]1C[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825254461 609591001 /nfs/dbraw/zinc/59/10/01/609591001.db2.gz RTJDOEKDBUBSDB-VXGBXAGGSA-N -1 1 361.450 2.352 20 0 FEADMM O=S(=O)([N-]CCCOC[C@H]1CCOC1)c1cc(Cl)ccc1F ZINC000560028099 674564480 /nfs/dbraw/zinc/56/44/80/674564480.db2.gz PWQVNIMAPPEQSF-LLVKDONJSA-N -1 1 351.827 2.201 20 0 FEADMM Cc1nc(CCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000810904710 674567716 /nfs/dbraw/zinc/56/77/16/674567716.db2.gz GVFPAANXROZQBP-LLVKDONJSA-N -1 1 363.405 2.301 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c(F)cc1Cl ZINC000811725043 674623214 /nfs/dbraw/zinc/62/32/14/674623214.db2.gz IATCIKGOQCLCCA-UHFFFAOYSA-N -1 1 360.750 2.167 20 0 FEADMM O=C(NOC/C=C/Cl)c1cc(I)ccc1[O-] ZINC000812401823 674672694 /nfs/dbraw/zinc/67/26/94/674672694.db2.gz NXFJFKFWPDHVBZ-DAFODLJHSA-N -1 1 353.543 2.411 20 0 FEADMM CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nn[n-]n1 ZINC000562466674 674759831 /nfs/dbraw/zinc/75/98/31/674759831.db2.gz SSHNXUUHBRHYLU-WDEREUQCSA-N -1 1 355.320 2.253 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@@H]1N1CCOCC1)c1sccc1Cl ZINC000562548060 674768662 /nfs/dbraw/zinc/76/86/62/674768662.db2.gz KVRQDRXAQQJDQK-STQMWFEESA-N -1 1 364.920 2.323 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2cc(C(F)(F)F)on2)c1Cl ZINC000813758315 674777744 /nfs/dbraw/zinc/77/77/44/674777744.db2.gz CNGLSUYEKZFTNV-UHFFFAOYSA-N -1 1 372.756 2.294 20 0 FEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)on1 ZINC000814381512 674836430 /nfs/dbraw/zinc/83/64/30/674836430.db2.gz HDZMNJFOCHVQJU-UHFFFAOYSA-N -1 1 356.791 2.466 20 0 FEADMM Cc1sc2c(cccc2C)c1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000564821593 675064979 /nfs/dbraw/zinc/06/49/79/675064979.db2.gz CCAJANAMRPVBFO-UHFFFAOYSA-N -1 1 370.496 2.155 20 0 FEADMM O=C(COC(=O)COc1ccc(F)cc1Cl)[N-]C(=O)c1ccccc1 ZINC000008541610 669982516 /nfs/dbraw/zinc/98/25/16/669982516.db2.gz PTLQYXRYRYAENM-UHFFFAOYSA-N -1 1 365.744 2.358 20 0 FEADMM CC(Nc1ccc(OC(F)F)c(Cl)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009868692 669985231 /nfs/dbraw/zinc/98/52/31/669985231.db2.gz DTMKHZNNIIOTKD-UHFFFAOYSA-N -1 1 361.757 2.158 20 0 FEADMM COC(OC)[C@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000816616087 675068662 /nfs/dbraw/zinc/06/86/62/675068662.db2.gz NWRVINVPHOKJJR-JTQLQIEISA-N -1 1 354.403 2.476 20 0 FEADMM Cc1csc(=O)n1CCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000017153560 670023140 /nfs/dbraw/zinc/02/31/40/670023140.db2.gz IPZFFGFFAGQYSD-UHFFFAOYSA-N -1 1 361.375 2.164 20 0 FEADMM Nn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccco1 ZINC000022026740 670037222 /nfs/dbraw/zinc/03/72/22/670037222.db2.gz HTOBWVYLQYLKRF-UHFFFAOYSA-N -1 1 356.363 2.356 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000028251930 670088865 /nfs/dbraw/zinc/08/88/65/670088865.db2.gz OIORFAOEKQTUFE-UHFFFAOYSA-N -1 1 362.407 2.275 20 0 FEADMM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=S)NC2=O)cc1OCC ZINC000031434454 670121188 /nfs/dbraw/zinc/12/11/88/670121188.db2.gz PUHAODBIPSDUCA-UHFFFAOYSA-N -1 1 363.439 2.091 20 0 FEADMM COCCNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000036845562 670137989 /nfs/dbraw/zinc/13/79/89/670137989.db2.gz FJXKZMPXHZGERJ-UHFFFAOYSA-N -1 1 365.480 2.420 20 0 FEADMM CC(Nc1ccc(Br)cc1Cl)=C1C(=O)[N-]C(=S)NC1=O ZINC000048403304 670261662 /nfs/dbraw/zinc/26/16/62/670261662.db2.gz VVYRQBDJNMZDQQ-UHFFFAOYSA-N -1 1 374.647 2.319 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)c1 ZINC000048493265 670264676 /nfs/dbraw/zinc/26/46/76/670264676.db2.gz YPHOZIPTXMNKSJ-UHFFFAOYSA-N -1 1 361.379 2.274 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000051695244 670302622 /nfs/dbraw/zinc/30/26/22/670302622.db2.gz MSQJWGKONUXLLU-UHFFFAOYSA-N -1 1 356.381 2.385 20 0 FEADMM CNC(=O)CC1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000565104681 675094732 /nfs/dbraw/zinc/09/47/32/675094732.db2.gz FODHQIMRMIJYEV-OAHLLOKOSA-N -1 1 369.259 2.423 20 0 FEADMM O=C(CSc1ccc(Br)cn1)N[N-]C(=O)c1cccs1 ZINC000052915302 670319432 /nfs/dbraw/zinc/31/94/32/670319432.db2.gz NOLTYFLFFSEIRH-UHFFFAOYSA-N -1 1 372.269 2.459 20 0 FEADMM CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055106055 670346699 /nfs/dbraw/zinc/34/66/99/670346699.db2.gz HRGLFVPZCWGCNN-UHFFFAOYSA-N -1 1 350.396 2.415 20 0 FEADMM COCCN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)[N-]C1=S ZINC000060861280 670390223 /nfs/dbraw/zinc/39/02/23/670390223.db2.gz PAOTUSUYNCXIIS-CLFYSBASSA-N -1 1 374.249 2.179 20 0 FEADMM CCCCc1nc(COC(=O)c2sccc2[N-]S(C)(=O)=O)no1 ZINC000063976988 670414683 /nfs/dbraw/zinc/41/46/83/670414683.db2.gz DMVMFBDAEIADHS-UHFFFAOYSA-N -1 1 359.429 2.202 20 0 FEADMM Cc1c(C(=O)NCCc2n[n-]c(=S)n2C)cnn1-c1cccc(C)c1 ZINC000067050945 670451809 /nfs/dbraw/zinc/45/18/09/670451809.db2.gz OIQBEQCSCFPYEX-UHFFFAOYSA-N -1 1 356.455 2.253 20 0 FEADMM COc1ccc(C(=O)NCCc2n[n-]c(=S)n2C)cc1Br ZINC000067050968 670451859 /nfs/dbraw/zinc/45/18/59/670451859.db2.gz LMAGNOLKGNAXEO-UHFFFAOYSA-N -1 1 371.260 2.221 20 0 FEADMM C[C@H](O)[C@H](NC(=O)c1c([O-])cccc1Cl)C(=O)OCc1ccccc1 ZINC000817228061 675112678 /nfs/dbraw/zinc/11/26/78/675112678.db2.gz BKDDUNCPRHCADL-ZBEGNZNMSA-N -1 1 363.797 2.268 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1C(=O)[O-] ZINC000569491604 670569550 /nfs/dbraw/zinc/56/95/50/670569550.db2.gz XXGJVYNVUZICMX-NEPJUHHUSA-N -1 1 372.874 2.204 20 0 FEADMM CCOC(=O)CCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817294039 675118418 /nfs/dbraw/zinc/11/84/18/675118418.db2.gz PCKPUXQRMLTWSX-CYBMUJFWSA-N -1 1 358.360 2.440 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)Cc1sc(N)nc1[O-])c1nc2ccccc2[nH]1 ZINC000079618216 670608276 /nfs/dbraw/zinc/60/82/76/670608276.db2.gz ZYIGHRAEESNWTB-BHYNMZESSA-N -1 1 359.455 2.113 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1sc(N)nc1[O-] ZINC000079892241 670612318 /nfs/dbraw/zinc/61/23/18/670612318.db2.gz WWDADORYKBWRTE-HQJQHLMTSA-N -1 1 360.266 2.387 20 0 FEADMM N#C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000080176641 670617835 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O=C(CS(=O)(=O)c1nc[n-]n1)N(C1CCCCC1)C1CCCCC1 ZINC000086169875 670683573 /nfs/dbraw/zinc/68/35/73/670683573.db2.gz HNLDTGOLPBSUMG-UHFFFAOYSA-N -1 1 354.476 2.072 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCSC1)C(F)(F)F ZINC000817489738 675138218 /nfs/dbraw/zinc/13/82/18/675138218.db2.gz FRDASGOPVSREJC-NEPJUHHUSA-N -1 1 358.385 2.376 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCOC1)C(F)(F)F ZINC000817492395 675138526 /nfs/dbraw/zinc/13/85/26/675138526.db2.gz ILWSBMDBKAHVOY-CHWSQXEVSA-N -1 1 356.344 2.049 20 0 FEADMM Cc1cc([N-]S(=O)(=O)N2CC[C@H](C)C2)nn1-c1ccc(F)cc1F ZINC000571358281 670861721 /nfs/dbraw/zinc/86/17/21/670861721.db2.gz PYVFLDXJQYHCHH-JTQLQIEISA-N -1 1 356.398 2.457 20 0 FEADMM O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2c[n-]cn2)c1 ZINC000114212169 670889967 /nfs/dbraw/zinc/88/99/67/670889967.db2.gz PBPMPOGAHLGWGQ-UHFFFAOYSA-N -1 1 357.391 2.107 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000571565821 670893406 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FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)o1 ZINC000576379189 671364415 /nfs/dbraw/zinc/36/44/15/671364415.db2.gz ASPHNGWEZGEQLP-NSHDSACASA-N -1 1 368.377 2.427 20 0 FEADMM Cc1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)n[nH]1 ZINC000576760483 671392720 /nfs/dbraw/zinc/39/27/20/671392720.db2.gz URPYTKRRXDDJII-SSDOTTSWSA-N -1 1 372.472 2.210 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccoc1 ZINC000577431345 671595360 /nfs/dbraw/zinc/59/53/60/671595360.db2.gz UXTPAXFHVNWFNB-UHFFFAOYSA-N -1 1 363.222 2.181 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1(O)CCOCC1 ZINC000578488079 671668803 /nfs/dbraw/zinc/66/88/03/671668803.db2.gz HSLGZRIKWLUWOF-UHFFFAOYSA-N -1 1 371.430 2.418 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1 ZINC000609587967 675927580 /nfs/dbraw/zinc/92/75/80/675927580.db2.gz DBIVSLGDEGNORF-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM Cc1ccsc1CNC(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000580550459 671817383 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O=C1[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)CCN1C1CCCCC1 ZINC000123078537 671974760 /nfs/dbraw/zinc/97/47/60/671974760.db2.gz KNDSMGJTEBRTHM-ZDUSSCGKSA-N -1 1 358.410 2.177 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCO)c2)c1 ZINC000123094540 671975236 /nfs/dbraw/zinc/97/52/36/671975236.db2.gz UBMXJGSPWYGMIQ-UHFFFAOYSA-N -1 1 368.842 2.171 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000582220268 671979676 /nfs/dbraw/zinc/97/96/76/671979676.db2.gz FMHVRYIUODQJHK-AWEZNQCLSA-N -1 1 360.435 2.490 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC000123698448 671983803 /nfs/dbraw/zinc/98/38/03/671983803.db2.gz VBVUDNNJJYENBU-INIZCTEOSA-N -1 1 354.472 2.011 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)N1CCCCC1 ZINC000124237056 671993359 /nfs/dbraw/zinc/99/33/59/671993359.db2.gz ZLFCXMDPXIXAMD-HNNXBMFYSA-N -1 1 373.906 2.192 20 0 FEADMM CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000125791080 672016501 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COc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1 ZINC000159675277 672284404 /nfs/dbraw/zinc/28/44/04/672284404.db2.gz ZOIIVQZLTLVVRR-UHFFFAOYSA-N -1 1 367.496 2.309 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)[nH]n1 ZINC000159937727 672286928 /nfs/dbraw/zinc/28/69/28/672286928.db2.gz ACJVASJUENERHZ-UHFFFAOYSA-N -1 1 355.391 2.479 20 0 FEADMM CNS(=O)(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000175816313 672370861 /nfs/dbraw/zinc/37/08/61/672370861.db2.gz LWVBZGIUGBCHMM-UHFFFAOYSA-N -1 1 358.778 2.345 20 0 FEADMM CC[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)C(=O)OC ZINC000176199675 672374239 /nfs/dbraw/zinc/37/42/39/672374239.db2.gz SPIFPDDCWISVLF-LLVKDONJSA-N -1 1 368.846 2.329 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cn2)o1 ZINC000678864839 672449461 /nfs/dbraw/zinc/44/94/61/672449461.db2.gz ZORYVGNLNYZLTJ-UHFFFAOYSA-N -1 1 371.846 2.335 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)c1 ZINC000611082032 676015757 /nfs/dbraw/zinc/01/57/57/676015757.db2.gz 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672775874 /nfs/dbraw/zinc/77/58/74/672775874.db2.gz GJKJARLASIFRRH-UHFFFAOYSA-N -1 1 370.862 2.205 20 0 FEADMM COC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCCC1 ZINC000683112035 672814676 /nfs/dbraw/zinc/81/46/76/672814676.db2.gz APXWUFRZXSSQGZ-UHFFFAOYSA-N -1 1 368.455 2.074 20 0 FEADMM COC(=O)[C@H](CC(C)(C)C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000592686283 672825700 /nfs/dbraw/zinc/82/57/00/672825700.db2.gz HGJCTYBMLHZREY-LBPRGKRZSA-N -1 1 369.487 2.239 20 0 FEADMM Cc1noc([C@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000683689274 672866624 /nfs/dbraw/zinc/86/66/24/672866624.db2.gz QYYTXIFUCXMAKN-VIFPVBQESA-N -1 1 359.411 2.187 20 0 FEADMM CCc1ccncc1[N-]S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000593285674 672903531 /nfs/dbraw/zinc/90/35/31/672903531.db2.gz UEVQGMLYJLGNKQ-UHFFFAOYSA-N -1 1 364.423 2.387 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cnn(-c3ccncc3)c1)OCO2 ZINC000684558471 672941335 /nfs/dbraw/zinc/94/13/35/672941335.db2.gz LTIDLNKMOCBNKI-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859008508 683026068 /nfs/dbraw/zinc/02/60/68/683026068.db2.gz WBAOPJDIUPFRTH-PRHODGIISA-N -1 1 369.256 2.059 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC2(CNC(=O)C2)CC1 ZINC000282413605 672970707 /nfs/dbraw/zinc/97/07/07/672970707.db2.gz GITPYTMZOHLNJJ-UHFFFAOYSA-N -1 1 359.813 2.336 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000594019191 673021820 /nfs/dbraw/zinc/02/18/20/673021820.db2.gz DNEMCKJFIFUEDN-ZDUSSCGKSA-N -1 1 350.806 2.481 20 0 FEADMM O=C([O-])c1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000325232091 673049237 /nfs/dbraw/zinc/04/92/37/673049237.db2.gz BHPHWDJDOPHYHH-UHFFFAOYSA-N -1 1 358.278 2.372 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCS2)c1F ZINC000594456699 673074909 /nfs/dbraw/zinc/07/49/09/673074909.db2.gz BSVZAGFRVRLGCN-SECBINFHSA-N -1 1 367.851 2.440 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000594478652 673084035 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COc1ccc(NC(=O)c2ncoc2C(C)C)cc1[N-]S(C)(=O)=O ZINC000731876400 673345906 /nfs/dbraw/zinc/34/59/06/673345906.db2.gz WTYQKXWGOGENAB-UHFFFAOYSA-N -1 1 353.400 2.430 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c(F)c1 ZINC000732047743 673352083 /nfs/dbraw/zinc/35/20/83/673352083.db2.gz ZUQNKGLKYRBCCH-UHFFFAOYSA-N -1 1 365.338 2.084 20 0 FEADMM CN(CC(=O)NCc1cccs1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000732983290 673392297 /nfs/dbraw/zinc/39/22/97/673392297.db2.gz PNFSZLPMLOEKJJ-UHFFFAOYSA-N -1 1 358.419 2.308 20 0 FEADMM Cc1sc2nc(Sc3nc4c(cnn4C)c(=O)[n-]3)n(C)c(=O)c2c1C ZINC000537793704 673407997 /nfs/dbraw/zinc/40/79/97/673407997.db2.gz XJTGUJXIXSHHJK-UHFFFAOYSA-N -1 1 374.451 2.145 20 0 FEADMM Cc1cc(C)c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])o1 ZINC000538870509 673463585 /nfs/dbraw/zinc/46/35/85/673463585.db2.gz KBYOELMGGLZNBM-UHFFFAOYSA-N -1 1 350.396 2.295 20 0 FEADMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538951729 673467981 /nfs/dbraw/zinc/46/79/81/673467981.db2.gz 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/nfs/dbraw/zinc/65/38/33/673653833.db2.gz GFRWAPGSRXCDNS-GFCCVEGCSA-N -1 1 365.398 2.091 20 0 FEADMM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1nn[n-]n1 ZINC000599377164 673666387 /nfs/dbraw/zinc/66/63/87/673666387.db2.gz KXZWBQFYDRQIMK-UHFFFAOYSA-N -1 1 353.169 2.400 20 0 FEADMM COc1cc(NC(=O)NCc2nc(C)cs2)ccc1[N-]S(C)(=O)=O ZINC000599408908 673671405 /nfs/dbraw/zinc/67/14/05/673671405.db2.gz DAOHYIIAMXATHG-UHFFFAOYSA-N -1 1 370.456 2.153 20 0 FEADMM Cc1nonc1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000742326620 673722728 /nfs/dbraw/zinc/72/27/28/673722728.db2.gz WLBKPXWEVGYYAZ-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC(O)C1 ZINC000544812845 673734010 /nfs/dbraw/zinc/73/40/10/673734010.db2.gz RJSIMXQLGMCBGN-UHFFFAOYSA-N -1 1 360.435 2.083 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc([C@H](OC)c3ccc(F)cc3)no2)co1 ZINC000545092764 673744518 /nfs/dbraw/zinc/74/45/18/673744518.db2.gz ZSDCKPVQEZIUGF-CYBMUJFWSA-N -1 1 367.358 2.113 20 0 FEADMM O=S(=O)([N-]CCCOCC(F)(F)F)c1ccc(Br)o1 ZINC000545387896 673765209 /nfs/dbraw/zinc/76/52/09/673765209.db2.gz HDPGAHVLDHBPNJ-UHFFFAOYSA-N -1 1 366.155 2.289 20 0 FEADMM CCN(CCC1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000546889546 673826168 /nfs/dbraw/zinc/82/61/68/673826168.db2.gz BYTVMOGRTFOBSD-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000546969867 673829711 /nfs/dbraw/zinc/82/97/11/673829711.db2.gz PLLQZZCAINCTFE-OTYXRUKQSA-N -1 1 372.874 2.108 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)co1 ZINC000547148918 673834465 /nfs/dbraw/zinc/83/44/65/673834465.db2.gz YIMRNGJBDBFAGD-UHFFFAOYSA-N -1 1 359.367 2.089 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1F ZINC000601368727 673849761 /nfs/dbraw/zinc/84/97/61/673849761.db2.gz BVRLQKIBEPXSLQ-GWCFXTLKSA-N -1 1 365.373 2.395 20 0 FEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)C2CCC(C)CC2)(C(=O)OC)C1(C)C ZINC000601399417 673855502 /nfs/dbraw/zinc/85/55/02/673855502.db2.gz LNGKBSTZFZHJHD-QKRUXVEJSA-N -1 1 361.504 2.231 20 0 FEADMM CCOC(=O)[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000601420192 673859360 /nfs/dbraw/zinc/85/93/60/673859360.db2.gz CAJINVJZXFJJTQ-WBMJQRKESA-N -1 1 355.818 2.063 20 0 FEADMM Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1 ZINC000746324652 673873226 /nfs/dbraw/zinc/87/32/26/673873226.db2.gz OJCNIMLUCYUBOS-UHFFFAOYSA-N -1 1 361.423 2.011 20 0 FEADMM CC(C)=CCSC[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000547610156 673873395 /nfs/dbraw/zinc/87/33/95/673873395.db2.gz BYLIBVYYDOICKR-LBPRGKRZSA-N -1 1 365.423 2.396 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601663144 673892493 /nfs/dbraw/zinc/89/24/93/673892493.db2.gz YVYQZSYXQVHNDP-CYBMUJFWSA-N -1 1 355.818 2.157 20 0 FEADMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccc(N)c1 ZINC000547932524 673906567 /nfs/dbraw/zinc/90/65/67/673906567.db2.gz DKMKVYWULIVLIV-UHFFFAOYSA-N -1 1 350.396 2.095 20 0 FEADMM CCOC(=O)c1csc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1 ZINC000747391069 673925738 /nfs/dbraw/zinc/92/57/38/673925738.db2.gz XDNQBXFRYWTJGF-UHFFFAOYSA-N -1 1 364.427 2.177 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])cn1 ZINC000548203134 673933929 /nfs/dbraw/zinc/93/39/29/673933929.db2.gz PCTLHQLDXKJNHN-UHFFFAOYSA-N -1 1 354.359 2.427 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000548524199 673965177 /nfs/dbraw/zinc/96/51/77/673965177.db2.gz HIRNHRBRPRDBAH-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2CC[C@H](CC)O2)n[n-]1 ZINC000548722458 673990037 /nfs/dbraw/zinc/99/00/37/673990037.db2.gz SSSUKOOOZANGGL-RWMBFGLXSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2CC[C@H](CC)O2)[n-]1 ZINC000548722458 673990038 /nfs/dbraw/zinc/99/00/38/673990038.db2.gz SSSUKOOOZANGGL-RWMBFGLXSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2CC[C@H](CC)O2)n1 ZINC000548722458 673990040 /nfs/dbraw/zinc/99/00/40/673990040.db2.gz SSSUKOOOZANGGL-RWMBFGLXSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2csnc2C)n[n-]1 ZINC000548723243 673990193 /nfs/dbraw/zinc/99/01/93/673990193.db2.gz FHXFGNTZPQTNFB-LLVKDONJSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2csnc2C)[n-]1 ZINC000548723243 673990197 /nfs/dbraw/zinc/99/01/97/673990197.db2.gz FHXFGNTZPQTNFB-LLVKDONJSA-N -1 1 351.432 2.264 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2csnc2C)n1 ZINC000548723243 673990201 /nfs/dbraw/zinc/99/02/01/673990201.db2.gz FHXFGNTZPQTNFB-LLVKDONJSA-N -1 1 351.432 2.264 20 0 FEADMM CCS(=O)(=O)C[C@H](C)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548943398 674007722 /nfs/dbraw/zinc/00/77/22/674007722.db2.gz MADGAYQRHKSCBJ-VIFPVBQESA-N -1 1 356.831 2.147 20 0 FEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCOCC(F)F)CC2 ZINC000566361665 675207931 /nfs/dbraw/zinc/20/79/31/675207931.db2.gz JSIAQLWTOGHJCD-CYBMUJFWSA-N -1 1 359.369 2.359 20 0 FEADMM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000566619426 675229784 /nfs/dbraw/zinc/22/97/84/675229784.db2.gz HZQDPPFHUXVIAC-STQMWFEESA-N -1 1 362.455 2.117 20 0 FEADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000566619423 675229880 /nfs/dbraw/zinc/22/98/80/675229880.db2.gz HZQDPPFHUXVIAC-CHWSQXEVSA-N -1 1 362.455 2.117 20 0 FEADMM Cc1nc([C@](C)([N-]S(=O)(=O)Cc2c(F)cccc2F)C2CC2)no1 ZINC000566951761 675255098 /nfs/dbraw/zinc/25/50/98/675255098.db2.gz WODSGHRUZRPMKG-OAHLLOKOSA-N -1 1 357.382 2.401 20 0 FEADMM COc1cnc([N-]S(=O)(=O)c2ccc(C)nc2)c(Br)c1 ZINC000567956967 675339214 /nfs/dbraw/zinc/33/92/14/675339214.db2.gz GYWPPBRUJUJJKG-UHFFFAOYSA-N -1 1 358.217 2.357 20 0 FEADMM COc1ccc(Cn2cc([N-]S(=O)(=O)C[C@@H](OC)C3CC3)cn2)cc1 ZINC000568087783 675350102 /nfs/dbraw/zinc/35/01/02/675350102.db2.gz VDPZMIVPVPPTRX-QGZVFWFLSA-N -1 1 365.455 2.107 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)CSc2ncc(C)c(=O)[n-]2)c1 ZINC000568271843 675363119 /nfs/dbraw/zinc/36/31/19/675363119.db2.gz LGZOGZQDXXPZRO-LLVKDONJSA-N -1 1 363.439 2.477 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000568396610 675371367 /nfs/dbraw/zinc/37/13/67/675371367.db2.gz PUKNFXIOCKWCIG-STQMWFEESA-N -1 1 350.415 2.176 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2nc(C3CC3)no2)c1 ZINC000820627182 675375180 /nfs/dbraw/zinc/37/51/80/675375180.db2.gz MJBMJAKZGAXGPO-VKTRGTBVSA-N -1 1 350.396 2.368 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCC2CCC3(CC2)OCCO3)c1 ZINC000820626041 675375293 /nfs/dbraw/zinc/37/52/93/675375293.db2.gz DOMXNIGRRFRETG-VWLOTQADSA-N -1 1 368.451 2.279 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H]([C@@H]2CCOC2)C(F)(F)F)c1 ZINC000820705083 675380301 /nfs/dbraw/zinc/38/03/01/675380301.db2.gz LXIJZWOBTCVGIE-OALWMSOYSA-N -1 1 366.357 2.313 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)N2CCCCCC2)c1 ZINC000821357664 675429736 /nfs/dbraw/zinc/42/97/36/675429736.db2.gz ACNKYRSOWDIRJX-PWECECGKSA-N -1 1 367.467 2.137 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OCc2nc(CC(C)C)no2)c1 ZINC000821361366 675430118 /nfs/dbraw/zinc/43/01/18/675430118.db2.gz ZIPOGBMAEGJREG-XMMPIXPASA-N -1 1 352.412 2.128 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(C)CC(F)(F)C3)CC2)n1 ZINC000822479871 675487461 /nfs/dbraw/zinc/48/74/61/675487461.db2.gz TYERPSYOPFXVEN-UHFFFAOYSA-N -1 1 356.373 2.123 20 0 FEADMM CCc1ccc(N2CCN(C(=O)CCCc3nn[n-]n3)CC2)cc1Cl ZINC000822853417 675511657 /nfs/dbraw/zinc/51/16/57/675511657.db2.gz QTBDSZUGOCGGRT-UHFFFAOYSA-N -1 1 362.865 2.087 20 0 FEADMM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656913243 677864803 /nfs/dbraw/zinc/86/48/03/677864803.db2.gz DRTPGYPTXJMMIO-CYBMUJFWSA-N -1 1 365.293 2.310 20 0 FEADMM O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000823192422 675535245 /nfs/dbraw/zinc/53/52/45/675535245.db2.gz VLWALNJYEQZHLU-SECBINFHSA-N -1 1 362.604 2.374 20 0 FEADMM CC(C)N(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(=O)OC(C)(C)C ZINC000823209338 675536566 /nfs/dbraw/zinc/53/65/66/675536566.db2.gz MYDZDHSRRLICQE-UHFFFAOYSA-N -1 1 351.329 2.408 20 0 FEADMM CCOC1(C[N-]S(=O)(=O)c2ncccc2Br)CCCC1 ZINC000656996586 677905850 /nfs/dbraw/zinc/90/58/50/677905850.db2.gz BXPHSKBBKJULPB-UHFFFAOYSA-N -1 1 363.277 2.472 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(Br)o1 ZINC000823294618 675542608 /nfs/dbraw/zinc/54/26/08/675542608.db2.gz KJXBGFXFMRWADG-UHFFFAOYSA-N -1 1 350.132 2.180 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823380379 675548889 /nfs/dbraw/zinc/54/88/89/675548889.db2.gz WQAVYYNXESBFNB-UHFFFAOYSA-N -1 1 364.774 2.000 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823380379 675548893 /nfs/dbraw/zinc/54/88/93/675548893.db2.gz WQAVYYNXESBFNB-UHFFFAOYSA-N -1 1 364.774 2.000 20 0 FEADMM CSc1nc(CNC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc(=O)[n-]1 ZINC000824603048 675613111 /nfs/dbraw/zinc/61/31/11/675613111.db2.gz NODGPTYZUGWLTH-UWVGGRQHSA-N -1 1 365.377 2.410 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCN1 ZINC000825161704 675639476 /nfs/dbraw/zinc/63/94/76/675639476.db2.gz FVOSFHNHWQFGIC-HNNXBMFYSA-N -1 1 353.451 2.113 20 0 FEADMM CCc1c[nH]c(CC(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n1 ZINC000825207235 675641655 /nfs/dbraw/zinc/64/16/55/675641655.db2.gz DNXBDGNJKOVFGH-UHFFFAOYSA-N -1 1 362.861 2.218 20 0 FEADMM CCN(Cc1ccccc1Cl)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825439696 675653178 /nfs/dbraw/zinc/65/31/78/675653178.db2.gz KXTOHDJRTHSCGP-UHFFFAOYSA-N -1 1 360.805 2.408 20 0 FEADMM CCN(Cc1ccccc1Cl)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825439696 675653181 /nfs/dbraw/zinc/65/31/81/675653181.db2.gz KXTOHDJRTHSCGP-UHFFFAOYSA-N -1 1 360.805 2.408 20 0 FEADMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000827792611 675778750 /nfs/dbraw/zinc/77/87/50/675778750.db2.gz MCRQTOHTSAMSKO-DTWKUNHWSA-N -1 1 366.871 2.033 20 0 FEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)c1F ZINC000827881685 675785208 /nfs/dbraw/zinc/78/52/08/675785208.db2.gz IVEDQJBXMYFPJT-ZETCQYMHSA-N -1 1 357.325 2.321 20 0 FEADMM CNS(=O)(=O)c1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605434780 675814711 /nfs/dbraw/zinc/81/47/11/675814711.db2.gz CCZAWSSTUVFGRN-UHFFFAOYSA-N -1 1 352.387 2.011 20 0 FEADMM Cc1nc([C@H]2CCCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)no1 ZINC000828365231 675815876 /nfs/dbraw/zinc/81/58/76/675815876.db2.gz SATCKHYHWGWDIW-GFCCVEGCSA-N -1 1 358.427 2.467 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000608258172 675887709 /nfs/dbraw/zinc/88/77/09/675887709.db2.gz IOYKOWHJCUVOPQ-UHFFFAOYSA-N -1 1 350.444 2.491 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2sc(C3CCCC3)nc2C)n[n-]1 ZINC000615919736 676233408 /nfs/dbraw/zinc/23/34/08/676233408.db2.gz JNYXEGPSLYYEDT-UHFFFAOYSA-N -1 1 363.443 2.334 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2sc(C3CCCC3)nc2C)n1 ZINC000615919736 676233410 /nfs/dbraw/zinc/23/34/10/676233410.db2.gz JNYXEGPSLYYEDT-UHFFFAOYSA-N -1 1 363.443 2.334 20 0 FEADMM CS(=O)(=O)CC1(CCNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000617181508 676273014 /nfs/dbraw/zinc/27/30/14/676273014.db2.gz 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O=S(=O)([N-]C[C@@]1(CO)CCc2ccccc21)c1cc(F)ccc1F ZINC000651788721 677452044 /nfs/dbraw/zinc/45/20/44/677452044.db2.gz NEAKUKUVEXHDML-QGZVFWFLSA-N -1 1 353.390 2.120 20 0 FEADMM O=S(=O)([N-][C@@H]1CNc2ccccc2C1)c1ncccc1C(F)(F)F ZINC000652380238 677484858 /nfs/dbraw/zinc/48/48/58/677484858.db2.gz KPBIDYVETJYMFA-NSHDSACASA-N -1 1 357.357 2.416 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCN1CCCC[C@@H]1CC(=O)[O-] ZINC000652463885 677490186 /nfs/dbraw/zinc/49/01/86/677490186.db2.gz ZDWRKSMJCCVZQL-CQSZACIVSA-N -1 1 355.456 2.188 20 0 FEADMM Cc1ccc(S(=O)(=O)CCCN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000652479861 677490799 /nfs/dbraw/zinc/49/07/99/677490799.db2.gz ZAKTWFGJVKVOEZ-INIZCTEOSA-N -1 1 369.483 2.115 20 0 FEADMM CCc1nc(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])n[nH]1 ZINC000652490149 677491260 /nfs/dbraw/zinc/49/12/60/677491260.db2.gz XEHPMQJMNDEPCG-LBPRGKRZSA-N -1 1 365.231 2.141 20 0 FEADMM CC(C)[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC000653492454 677533790 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CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 ZINC000831872175 680055677 /nfs/dbraw/zinc/05/56/77/680055677.db2.gz HEILYRAMPQJZJT-UHFFFAOYSA-N -1 1 352.206 2.050 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)sc1C ZINC000831902210 680058531 /nfs/dbraw/zinc/05/85/31/680058531.db2.gz JBKKMBIQGITTEV-RKDXNWHRSA-N -1 1 363.505 2.340 20 0 FEADMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2)cc2c1OCCO2 ZINC000749868742 680082172 /nfs/dbraw/zinc/08/21/72/680082172.db2.gz YABSNQLNYAEKNV-UHFFFAOYSA-N -1 1 370.770 2.005 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)CNC(=O)OC(C)(C)C ZINC000749962295 680090265 /nfs/dbraw/zinc/09/02/65/680090265.db2.gz FORQHAUAMDOULQ-JTQLQIEISA-N -1 1 364.414 2.404 20 0 FEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000832180427 680106927 /nfs/dbraw/zinc/10/69/27/680106927.db2.gz SEXPUDDJKMJAKQ-JTQLQIEISA-N -1 1 351.346 2.326 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]CC[C@@]1(C)CC1(Cl)Cl ZINC000832363997 680127108 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CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)O1 ZINC000901602914 690664412 /nfs/dbraw/zinc/66/44/12/690664412.db2.gz YHCWIDYYRFKECM-CABCVRRESA-N -1 1 357.476 2.152 20 0 FEADMM CS(=O)(=O)Nc1cccc(CN2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC000901778840 690694034 /nfs/dbraw/zinc/69/40/34/690694034.db2.gz PKXNYXCYPWQCLR-UHFFFAOYSA-N -1 1 360.435 2.315 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1ccnn1CC1CCC1 ZINC000901884172 690706775 /nfs/dbraw/zinc/70/67/75/690706775.db2.gz RTDADEOETLDHPW-UHFFFAOYSA-N -1 1 358.427 2.065 20 0 FEADMM O=C([O-])Cn1cc(CNCC2(c3ccc(F)cc3F)CCCC2)nn1 ZINC000902393748 690762855 /nfs/dbraw/zinc/76/28/55/690762855.db2.gz VWGGCRUROYNQKT-UHFFFAOYSA-N -1 1 350.369 2.243 20 0 FEADMM CO[C@@]1(C)C[C@H]1NCc1cc(C)cc(Br)c1OCC(=O)[O-] ZINC000902483113 690770214 /nfs/dbraw/zinc/77/02/14/690770214.db2.gz KXVNGGPCJPSCBX-DOMZBBRYSA-N -1 1 358.232 2.488 20 0 FEADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2nnc(C(F)F)[nH]2)c1 ZINC000903149767 690856554 /nfs/dbraw/zinc/85/65/54/690856554.db2.gz 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COCCN(CCC(=O)[O-])[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000903712244 690966146 /nfs/dbraw/zinc/96/61/46/690966146.db2.gz UMFUIXPOYOQHDS-GFCCVEGCSA-N -1 1 374.840 2.249 20 0 FEADMM O=C([O-])c1cnc([C@H]2CCN(CC[S@](=O)c3ccccc3)C2)s1 ZINC000903924200 690986651 /nfs/dbraw/zinc/98/66/51/690986651.db2.gz KHHZHFWJYRKWDB-MYODQAERSA-N -1 1 350.465 2.438 20 0 FEADMM O=C([O-])[C@H]1c2ccccc2OCCN1CCOCC(F)(F)C(F)F ZINC000903930577 690986906 /nfs/dbraw/zinc/98/69/06/690986906.db2.gz CJZADZHVCNOPAG-GFCCVEGCSA-N -1 1 351.296 2.424 20 0 FEADMM C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903953746 690988871 /nfs/dbraw/zinc/98/88/71/690988871.db2.gz UUQBBQWMLMAVNY-OXJKWZBOSA-N -1 1 374.528 2.318 20 0 FEADMM C[C@@H]1C[C@H](C)N(Cc2ccc(S(=O)(=O)N(C)C)s2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903953746 690988874 /nfs/dbraw/zinc/98/88/74/690988874.db2.gz UUQBBQWMLMAVNY-OXJKWZBOSA-N -1 1 374.528 2.318 20 0 FEADMM Cc1c([C@@H](NCc2cncc(Br)c2C)C(=O)[O-])cnn1C ZINC000904048207 690997729 /nfs/dbraw/zinc/99/77/29/690997729.db2.gz OPVDEVSYFZODTQ-CYBMUJFWSA-N -1 1 353.220 2.110 20 0 FEADMM CC(C)[C@@H](c1noc([C@]2(C(=O)[O-])CNCCO2)n1)c1ccc(Cl)cc1 ZINC000904714024 691042215 /nfs/dbraw/zinc/04/22/15/691042215.db2.gz RBVGKCXZHBMJNX-DYVFJYSZSA-N -1 1 365.817 2.411 20 0 FEADMM CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)C1 ZINC000906932057 691347675 /nfs/dbraw/zinc/34/76/75/691347675.db2.gz QWNSMEILIKVVMV-OAHLLOKOSA-N -1 1 366.483 2.025 20 0 FEADMM C[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000906944064 691350498 /nfs/dbraw/zinc/35/04/98/691350498.db2.gz JXXGUDLASSPTGN-CYBMUJFWSA-N -1 1 366.483 2.026 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000906958080 691353835 /nfs/dbraw/zinc/35/38/35/691353835.db2.gz WGFZNAONBMBDRD-INIZCTEOSA-N -1 1 366.483 2.242 20 0 FEADMM CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000906982104 691360218 /nfs/dbraw/zinc/36/02/18/691360218.db2.gz UAAYXAPRAHTVIJ-HNNXBMFYSA-N -1 1 366.483 2.026 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1C(=O)[O-] ZINC000907006850 691367652 /nfs/dbraw/zinc/36/76/52/691367652.db2.gz IWCTUCMYFSVIGO-CQSZACIVSA-N -1 1 354.472 2.105 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C1CCCC1)c1ccco1 ZINC000907015072 691370054 /nfs/dbraw/zinc/37/00/54/691370054.db2.gz ONLSMWPSBNEWLW-CYBMUJFWSA-N -1 1 353.444 2.337 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000907026001 691373690 /nfs/dbraw/zinc/37/36/90/691373690.db2.gz IDVWMAIHWIFZHU-KBPBESRZSA-N -1 1 372.874 2.333 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000907054470 691382561 /nfs/dbraw/zinc/38/25/61/691382561.db2.gz WXNNCULRBHRMGC-MRXNPFEDSA-N -1 1 366.483 2.379 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1cc(Br)ccc1Cl)c1nn[n-]n1 ZINC000907350547 691459349 /nfs/dbraw/zinc/45/93/49/691459349.db2.gz QYMMNWBUTQDBQA-MRVPVSSYSA-N -1 1 372.654 2.420 20 0 FEADMM CSc1ccc(C=CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)s1 ZINC000907473812 691493417 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O=C(NCc1ccccn1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028835318 539837842 /nfs/dbraw/zinc/83/78/42/539837842.db2.gz FKSHJTNGMMSHMB-UHFFFAOYSA-N -1 1 368.418 2.207 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000029044833 539841301 /nfs/dbraw/zinc/84/13/01/539841301.db2.gz MCJJOFFXZWZDBT-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000029325615 539850863 /nfs/dbraw/zinc/85/08/63/539850863.db2.gz NWGIGEUGKIGMAW-UHFFFAOYSA-N -1 1 363.395 2.025 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1 ZINC000032087518 539927780 /nfs/dbraw/zinc/92/77/80/539927780.db2.gz HUAPGTNBFXAYSR-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000042796410 540079012 /nfs/dbraw/zinc/07/90/12/540079012.db2.gz JLCYNJCZIDZJSO-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C([O-])c1ccccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000044242928 540120202 /nfs/dbraw/zinc/12/02/02/540120202.db2.gz 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ZINC000801364787 674124325 /nfs/dbraw/zinc/12/43/25/674124325.db2.gz FWNRQINTHBQCFA-UHFFFAOYSA-N -1 1 359.363 2.083 20 0 FEADMM COCc1noc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])n1 ZINC000801360766 674124340 /nfs/dbraw/zinc/12/43/40/674124340.db2.gz NVHIZMUGCKLUSM-UHFFFAOYSA-N -1 1 364.745 2.118 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOC[C@@H]1CC(C)C ZINC000072887161 541888192 /nfs/dbraw/zinc/88/81/92/541888192.db2.gz QNFZOESPDWQXJC-HNNXBMFYSA-N -1 1 360.458 2.258 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@H](O)C(F)(F)F ZINC000551160644 674127399 /nfs/dbraw/zinc/12/73/99/674127399.db2.gz QXIIDMDTRZIWHA-ONGXEEELSA-N -1 1 358.382 2.093 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1C ZINC000551174327 674128589 /nfs/dbraw/zinc/12/85/89/674128589.db2.gz SWHGIDARDPRDQR-UHFFFAOYSA-N -1 1 363.317 2.324 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CCOCC1 ZINC000074418671 542082061 /nfs/dbraw/zinc/08/20/61/542082061.db2.gz HYXVRFDAARTTBZ-CYBMUJFWSA-N -1 1 372.487 2.291 20 0 FEADMM COC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014063993 211070394 /nfs/dbraw/zinc/07/03/94/211070394.db2.gz IOGNICRVKKUPBI-GFCCVEGCSA-N -1 1 366.414 2.391 20 0 FEADMM O=C(c1ccncc1)N1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000076368431 542267629 /nfs/dbraw/zinc/26/76/29/542267629.db2.gz AHTAKGMIAHWQBH-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000801639350 674141488 /nfs/dbraw/zinc/14/14/88/674141488.db2.gz NWOFRLIZESSYBL-LLVKDONJSA-N -1 1 361.785 2.261 20 0 FEADMM CCOC(=O)c1nnc([N-]C(=O)c2sc(N(C)C)nc2Cl)s1 ZINC000828364626 675815669 /nfs/dbraw/zinc/81/56/69/675815669.db2.gz HCWXPBRQFSLUEN-UHFFFAOYSA-N -1 1 361.836 2.143 20 0 FEADMM Cc1cc(C(=O)Nc2cc(F)c(F)cc2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000077986721 542435818 /nfs/dbraw/zinc/43/58/18/542435818.db2.gz CYRMIMKMCTZIKI-UHFFFAOYSA-N -1 1 350.256 2.002 20 0 FEADMM Cc1cc(C(=O)Nc2cc(F)c(F)cc2F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000077986721 542435821 /nfs/dbraw/zinc/43/58/21/542435821.db2.gz CYRMIMKMCTZIKI-UHFFFAOYSA-N -1 1 350.256 2.002 20 0 FEADMM CC(C)c1nn(C)c2sc(C(=O)NCc3n[n-]c(=S)n3C)cc12 ZINC000080026356 542558753 /nfs/dbraw/zinc/55/87/53/542558753.db2.gz STFKQFRHJUVQHI-UHFFFAOYSA-N -1 1 350.473 2.479 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)sc1C ZINC000091014334 542790212 /nfs/dbraw/zinc/79/02/12/542790212.db2.gz CXONXJIKSFQLIW-UHFFFAOYSA-N -1 1 353.404 2.281 20 0 FEADMM CC(C)c1nsc([N-]c2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n1 ZINC000092657366 542878425 /nfs/dbraw/zinc/87/84/25/542878425.db2.gz SNXXJKDWKKGNBW-VXGBXAGGSA-N -1 1 364.475 2.237 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)co1 ZINC000092695263 542881732 /nfs/dbraw/zinc/88/17/32/542881732.db2.gz DEGCPCBAXPZQLL-UHFFFAOYSA-N -1 1 360.435 2.426 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000092963450 542899111 /nfs/dbraw/zinc/89/91/11/542899111.db2.gz FHBUMJBEXQLOSM-GFCCVEGCSA-N -1 1 357.410 2.387 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000093061143 542906094 /nfs/dbraw/zinc/90/60/94/542906094.db2.gz LHXPWOMHEDOARM-CYBMUJFWSA-N -1 1 352.387 2.134 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000101570334 543034199 /nfs/dbraw/zinc/03/41/99/543034199.db2.gz JSDKTLZDSUKFEK-UHFFFAOYSA-N -1 1 374.796 2.327 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@H](C)N1CCOCC1 ZINC000104759258 543142237 /nfs/dbraw/zinc/14/22/37/543142237.db2.gz IGGGFJZWOKGZQW-BDAKNGLRSA-N -1 1 373.327 2.442 20 0 FEADMM CCN1CCc2ccc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)cc21 ZINC000104897926 543149520 /nfs/dbraw/zinc/14/95/20/543149520.db2.gz RUVISMIOJLWZKE-UHFFFAOYSA-N -1 1 365.437 2.203 20 0 FEADMM CC(=O)N1CCC(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000104941864 543152142 /nfs/dbraw/zinc/15/21/42/543152142.db2.gz UZZXEKXVPJXIRB-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)n1 ZINC000107765560 543278067 /nfs/dbraw/zinc/27/80/67/543278067.db2.gz WGBHZNHXYOANPC-KGLIPLIRSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)[n-]1 ZINC000107765560 543278068 /nfs/dbraw/zinc/27/80/68/543278068.db2.gz WGBHZNHXYOANPC-KGLIPLIRSA-N -1 1 356.407 2.104 20 0 FEADMM CCC(CC)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592891 543296314 /nfs/dbraw/zinc/29/63/14/543296314.db2.gz NKQDDLJQBBIHHU-LBPRGKRZSA-N -1 1 370.519 2.395 20 0 FEADMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cncc([O-])c3)CC2)cc1F ZINC000109950902 543344436 /nfs/dbraw/zinc/34/44/36/543344436.db2.gz YQZYQONTLYFZEM-UHFFFAOYSA-N -1 1 371.412 2.403 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2CCSCC2)n[n-]1 ZINC000551921622 674173292 /nfs/dbraw/zinc/17/32/92/674173292.db2.gz XHFVRDVAZDWNMT-LBPRGKRZSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2CCSCC2)[n-]1 ZINC000551921622 674173294 /nfs/dbraw/zinc/17/32/94/674173294.db2.gz XHFVRDVAZDWNMT-LBPRGKRZSA-N -1 1 354.476 2.328 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2CCSCC2)n1 ZINC000551921622 674173299 /nfs/dbraw/zinc/17/32/99/674173299.db2.gz XHFVRDVAZDWNMT-LBPRGKRZSA-N -1 1 354.476 2.328 20 0 FEADMM CSCc1ccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000114412648 543514071 /nfs/dbraw/zinc/51/40/71/543514071.db2.gz YHAZFVOOMBAUNN-UHFFFAOYSA-N -1 1 356.451 2.432 20 0 FEADMM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000115342555 543560631 /nfs/dbraw/zinc/56/06/31/543560631.db2.gz VTMZSUYUJGESTG-UHFFFAOYSA-N -1 1 357.321 2.241 20 0 FEADMM CCC[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1nn[n-]n1 ZINC000122723143 543720196 /nfs/dbraw/zinc/72/01/96/543720196.db2.gz HEQSRYLJMBMWAG-QWRGUYRKSA-N -1 1 366.219 2.096 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCC1Cc2ccccc2C1 ZINC000123003820 543736685 /nfs/dbraw/zinc/73/66/85/543736685.db2.gz FTNSVJIJJPJTJA-UHFFFAOYSA-N -1 1 364.449 2.103 20 0 FEADMM NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2c(O)cccc2F)C1 ZINC000122566595 543710499 /nfs/dbraw/zinc/71/04/99/543710499.db2.gz WZVOQOWMFTTXAU-CQSZACIVSA-N -1 1 371.412 2.481 20 0 FEADMM C[C@H](CCCO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000122630663 543714606 /nfs/dbraw/zinc/71/46/06/543714606.db2.gz BDWXFBLDBNUMIO-CQSZACIVSA-N -1 1 362.451 2.378 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccc(CSc2nccn2C)c1)c1nn[n-]n1 ZINC000124473314 543824545 /nfs/dbraw/zinc/82/45/45/543824545.db2.gz KIHFJJIEUHIMIK-LBPRGKRZSA-N -1 1 371.470 2.101 20 0 FEADMM O=C(Cc1cccc(F)c1)NCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000124486337 543824975 /nfs/dbraw/zinc/82/49/75/543824975.db2.gz RVLHTCNLKOGVSJ-UHFFFAOYSA-N -1 1 350.777 2.273 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cccc(OCc2cscn2)c1)c1nn[n-]n1 ZINC000123977718 543794170 /nfs/dbraw/zinc/79/41/70/543794170.db2.gz HLTLXVXVZPZQQW-NSHDSACASA-N -1 1 358.427 2.111 20 0 FEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Br)CN1C1CC1 ZINC000123982192 543794905 /nfs/dbraw/zinc/79/49/05/543794905.db2.gz DTXKEFMZOKYTNB-RKDXNWHRSA-N -1 1 365.318 2.414 20 0 FEADMM O=C(NCCCN1CCN(c2ccccc2)CC1)c1c(O)cccc1O ZINC000125658939 543894366 /nfs/dbraw/zinc/89/43/66/543894366.db2.gz KQABATRBFCWORZ-UHFFFAOYSA-N -1 1 355.438 2.040 20 0 FEADMM C[C@@H](O)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000126502829 543940004 /nfs/dbraw/zinc/94/00/04/543940004.db2.gz PDCIMLVCLAQVIK-GFCCVEGCSA-N -1 1 366.414 2.079 20 0 FEADMM C[C@@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127408693 543991399 /nfs/dbraw/zinc/99/13/99/543991399.db2.gz PRPLUQRXXKLULM-DYVFJYSZSA-N -1 1 356.422 2.037 20 0 FEADMM Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129439257 544112133 /nfs/dbraw/zinc/11/21/33/544112133.db2.gz PKJMKSCPFNTFDA-AWEZNQCLSA-N -1 1 352.398 2.112 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc(Cl)o1 ZINC000130502794 544153602 /nfs/dbraw/zinc/15/36/02/544153602.db2.gz XQGSMCPYNUEIGF-UHFFFAOYSA-N -1 1 356.787 2.332 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000131481472 544191970 /nfs/dbraw/zinc/19/19/70/544191970.db2.gz CXBKQYINENWVDU-GOSISDBHSA-N -1 1 374.466 2.070 20 0 FEADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000552196238 674194563 /nfs/dbraw/zinc/19/45/63/674194563.db2.gz MBHIATUTWHXYHI-ZCFIWIBFSA-N -1 1 368.636 2.181 20 0 FEADMM O=C(NCc1ccc(O)c(F)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000132809968 544244499 /nfs/dbraw/zinc/24/44/99/544244499.db2.gz TYTZKXWJMZEHFA-IBGZPJMESA-N -1 1 358.413 2.346 20 0 FEADMM Cc1ccoc1C(=O)NCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000132416291 544230736 /nfs/dbraw/zinc/23/07/36/544230736.db2.gz FDOPDVVCUXYOEE-UHFFFAOYSA-N -1 1 368.393 2.095 20 0 FEADMM Cc1ccoc1C(=O)NCCCNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000132416291 544230738 /nfs/dbraw/zinc/23/07/38/544230738.db2.gz FDOPDVVCUXYOEE-UHFFFAOYSA-N -1 1 368.393 2.095 20 0 FEADMM Cn1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1=O ZINC000133386779 544267575 /nfs/dbraw/zinc/26/75/75/544267575.db2.gz LBUOUHPHGOFCKS-UHFFFAOYSA-N -1 1 361.192 2.088 20 0 FEADMM CC[C@@](C)(NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nc(C)cs1 ZINC000151162459 544511892 /nfs/dbraw/zinc/51/18/92/544511892.db2.gz AFLRVLRBCGWKED-GOSISDBHSA-N -1 1 373.482 2.388 20 0 FEADMM COc1cccc(OCCN2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000151281294 544524882 /nfs/dbraw/zinc/52/48/82/544524882.db2.gz MPWRGKCDRQKSND-UHFFFAOYSA-N -1 1 374.412 2.377 20 0 FEADMM CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)Nc1cc[nH]n1 ZINC000152619549 544674206 /nfs/dbraw/zinc/67/42/06/544674206.db2.gz YOBMUXYUMLEYPI-LLVKDONJSA-N -1 1 372.397 2.020 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)o1 ZINC000153328583 544762655 /nfs/dbraw/zinc/76/26/55/544762655.db2.gz JDAFMASHXAKHHQ-LDYMZIIASA-N -1 1 372.805 2.266 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000153828425 544829394 /nfs/dbraw/zinc/82/93/94/544829394.db2.gz JASBWRAEXORUNP-UHFFFAOYSA-N -1 1 366.370 2.208 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)co1 ZINC000154464432 544909921 /nfs/dbraw/zinc/90/99/21/544909921.db2.gz LNYIZDJOANUPLD-WCQYABFASA-N -1 1 352.412 2.394 20 0 FEADMM CCC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000154521149 544916359 /nfs/dbraw/zinc/91/63/59/544916359.db2.gz XWJZTGSBLXUZOE-MRXNPFEDSA-N -1 1 362.451 2.378 20 0 FEADMM COc1cc(C(=O)[N-]c2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)on1 ZINC000154684493 544937066 /nfs/dbraw/zinc/93/70/66/544937066.db2.gz XADBJRSATIDZIS-UWVGGRQHSA-N -1 1 352.416 2.001 20 0 FEADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(C)C ZINC000154828332 544955259 /nfs/dbraw/zinc/95/52/59/544955259.db2.gz SIAHHSMXOZFMQO-KGLIPLIRSA-N -1 1 372.487 2.244 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)o1 ZINC000802862023 674203027 /nfs/dbraw/zinc/20/30/27/674203027.db2.gz HQHBBZMHWOBGRG-OKILXGFUSA-N -1 1 365.407 2.092 20 0 FEADMM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1c([O-])cccc1F ZINC000802887587 674205435 /nfs/dbraw/zinc/20/54/35/674205435.db2.gz NONIIWVGQYCDPV-LLVKDONJSA-N -1 1 354.378 2.496 20 0 FEADMM O=C(CSc1n[nH]c(=S)s1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000803405585 674240820 /nfs/dbraw/zinc/24/08/20/674240820.db2.gz CZDUJPHZPFVRIW-UHFFFAOYSA-N -1 1 366.453 2.048 20 0 FEADMM O=C(OCCF)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000803485620 674245972 /nfs/dbraw/zinc/24/59/72/674245972.db2.gz XZICGPYGUMWLBJ-UHFFFAOYSA-N -1 1 367.354 2.342 20 0 FEADMM COc1cc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)ncn1 ZINC000183821001 327837698 /nfs/dbraw/zinc/83/76/98/327837698.db2.gz JSJJPZAGOSIWQC-UHFFFAOYSA-N -1 1 364.405 2.306 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4c[nH]nc4c3)cc3c2N1CCC3 ZINC000184892103 327887772 /nfs/dbraw/zinc/88/77/72/327887772.db2.gz HOVIDNRZNIPSEQ-UHFFFAOYSA-N -1 1 368.418 2.199 20 0 FEADMM Cn1cc([C@@H](NCC(=O)[N-]OCc2ccccc2)c2ccc(F)cc2)cn1 ZINC000185449169 327917285 /nfs/dbraw/zinc/91/72/85/327917285.db2.gz KAEOJTGKAWCIPG-FQEVSTJZSA-N -1 1 368.412 2.486 20 0 FEADMM CN(CCN(C)C(=O)c1c(O)cccc1F)C(=O)c1c([O-])cccc1F ZINC000185806222 327933933 /nfs/dbraw/zinc/93/39/33/327933933.db2.gz MVOHQXBOQGRQFJ-UHFFFAOYSA-N -1 1 364.348 2.220 20 0 FEADMM Cn1nc(CC[N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc21 ZINC000186198575 327951212 /nfs/dbraw/zinc/95/12/12/327951212.db2.gz RINYYJBTBQSQIS-UHFFFAOYSA-N -1 1 351.378 2.373 20 0 FEADMM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000186862663 327987207 /nfs/dbraw/zinc/98/72/07/327987207.db2.gz XEWXZJGMHGNAPR-HWPZZCPQSA-N -1 1 369.343 2.137 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c(=O)[n-]1 ZINC000187502578 328030362 /nfs/dbraw/zinc/03/03/62/328030362.db2.gz TXRNHBXPQAUHOR-CABCVRRESA-N -1 1 367.515 2.443 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1C ZINC000187887680 328052731 /nfs/dbraw/zinc/05/27/31/328052731.db2.gz MGHCAIINFSWRAF-MWLCHTKSSA-N -1 1 356.216 2.426 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CN1C1CC1 ZINC000188080780 328064620 /nfs/dbraw/zinc/06/46/20/328064620.db2.gz YORUZOZAHPPCKG-ZETCQYMHSA-N -1 1 367.229 2.174 20 0 FEADMM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000188263013 328076596 /nfs/dbraw/zinc/07/65/96/328076596.db2.gz IZCOUWSSIXQEII-LBPRGKRZSA-N -1 1 359.369 2.294 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)c1nn[n-]n1 ZINC000188278652 328077546 /nfs/dbraw/zinc/07/75/46/328077546.db2.gz QFPGPWJCRRWHAT-LBPRGKRZSA-N -1 1 361.356 2.243 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)c1nn[n-]n1 ZINC000188792089 328111016 /nfs/dbraw/zinc/11/10/16/328111016.db2.gz XDUSSWIUUMXBPJ-ZJUUUORDSA-N -1 1 357.336 2.248 20 0 FEADMM O=S(=O)([N-]Cc1nnc(C2CC2)o1)c1sccc1Br ZINC000189075039 328127194 /nfs/dbraw/zinc/12/71/94/328127194.db2.gz HATCVMURLLYQHT-UHFFFAOYSA-N -1 1 364.246 2.250 20 0 FEADMM C[C@@H]1[C@H](C)OCCN1C(=O)c1cc(I)ccc1[O-] ZINC000189492259 328151310 /nfs/dbraw/zinc/15/13/10/328151310.db2.gz KLVYXAQTHQPHQO-BDAKNGLRSA-N -1 1 361.179 2.246 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000189605205 328157593 /nfs/dbraw/zinc/15/75/93/328157593.db2.gz DUSKUJMIVOKOMI-UHFFFAOYSA-N -1 1 360.458 2.400 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)cc1 ZINC000190394575 328205090 /nfs/dbraw/zinc/20/50/90/328205090.db2.gz ADVZSVFYKOPFFI-UHFFFAOYSA-N -1 1 370.434 2.341 20 0 FEADMM Cc1ccc2cccc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)c2n1 ZINC000191559265 328271276 /nfs/dbraw/zinc/27/12/76/328271276.db2.gz ANOZRVYHLCQMRK-UHFFFAOYSA-N -1 1 352.394 2.443 20 0 FEADMM O=C(NCCCn1cccn1)c1cc(I)ccc1[O-] ZINC000192961371 328349282 /nfs/dbraw/zinc/34/92/82/328349282.db2.gz PNCDFZSERRLCHR-UHFFFAOYSA-N -1 1 371.178 2.013 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(F)cc1 ZINC000193118803 328358631 /nfs/dbraw/zinc/35/86/31/328358631.db2.gz ZZHGGKNTBKUIHQ-LBPRGKRZSA-N -1 1 373.352 2.339 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2Br)c1 ZINC000193391973 328372484 /nfs/dbraw/zinc/37/24/84/328372484.db2.gz ICQOSRPRAZAFBC-UHFFFAOYSA-N -1 1 371.212 2.054 20 0 FEADMM C[C@]1(NC(=O)c2cc(I)ccc2[O-])CCCOC1 ZINC000235716959 328488885 /nfs/dbraw/zinc/48/88/85/328488885.db2.gz HOACXGBWJZZJPS-ZDUSSCGKSA-N -1 1 361.179 2.296 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCOC2CCCC2)o1 ZINC000061255584 324855715 /nfs/dbraw/zinc/85/57/15/324855715.db2.gz LNEDGNPMDOMQCE-UHFFFAOYSA-N -1 1 372.487 2.436 20 0 FEADMM O=C(c1ccncc1)N1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000076368608 324938570 /nfs/dbraw/zinc/93/85/70/324938570.db2.gz NAHRGVIJCYLQCE-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM CC(C)n1c(CCNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n[n-]c1=S ZINC000076997340 324974023 /nfs/dbraw/zinc/97/40/23/324974023.db2.gz KXGWYWNUXOUAFQ-ZDUSSCGKSA-N -1 1 350.419 2.323 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000080467506 325131371 /nfs/dbraw/zinc/13/13/71/325131371.db2.gz GAAOIDBTVFIALY-UHFFFAOYSA-N -1 1 362.430 2.314 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000080545066 325135940 /nfs/dbraw/zinc/13/59/40/325135940.db2.gz KZRLJQQTQWVKOH-UHFFFAOYSA-N -1 1 366.425 2.424 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)n[n-]1 ZINC000086170581 325261442 /nfs/dbraw/zinc/26/14/42/325261442.db2.gz RAMSXHUGIDDNDL-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000091160648 325376300 /nfs/dbraw/zinc/37/63/00/325376300.db2.gz CSBRXOOZJJEJRL-NSHDSACASA-N -1 1 354.407 2.210 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CO)ccc2C)c1 ZINC000097203307 325458667 /nfs/dbraw/zinc/45/86/67/325458667.db2.gz JDBJHEHUOOOQEM-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM Cn1nccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000102347698 325491088 /nfs/dbraw/zinc/49/10/88/325491088.db2.gz PVKDMVNRUDPKHQ-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nc(C)cs3)CCCC2)o1 ZINC000112688159 325798867 /nfs/dbraw/zinc/79/88/67/325798867.db2.gz YTWBGTUOYCDWFV-UHFFFAOYSA-N -1 1 369.468 2.152 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ncccc2C)C(C)C)o1 ZINC000115583309 325967849 /nfs/dbraw/zinc/96/78/49/325967849.db2.gz WLGDJYXAZOGUDR-AWEZNQCLSA-N -1 1 352.412 2.445 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1F ZINC000116159598 325996174 /nfs/dbraw/zinc/99/61/74/325996174.db2.gz LCCSZKBVPGQDFJ-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(N2CCCC2)c1)c1cccc(F)c1F ZINC000116607002 326026909 /nfs/dbraw/zinc/02/69/09/326026909.db2.gz PYZAJTWUYJEBJA-UHFFFAOYSA-N -1 1 353.394 2.439 20 0 FEADMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119313722 326148292 /nfs/dbraw/zinc/14/82/92/326148292.db2.gz NODUYSBVGMLBAP-UHFFFAOYSA-N -1 1 357.439 2.281 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)O)cc2)cc1C ZINC000120642035 326275565 /nfs/dbraw/zinc/27/55/65/326275565.db2.gz QUUMJCHIJVATQF-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120831613 326291756 /nfs/dbraw/zinc/29/17/56/326291756.db2.gz VKTTVBZJUZSMLK-HTQZYQBOSA-N -1 1 372.231 2.413 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCO)c2)cc1 ZINC000121076113 326311623 /nfs/dbraw/zinc/31/16/23/326311623.db2.gz NTFKMUAXFLJZQL-AWEZNQCLSA-N -1 1 362.451 2.297 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(F)c2)co1 ZINC000121479405 326341352 /nfs/dbraw/zinc/34/13/52/326341352.db2.gz PMXKMFAYLXVJFP-AWEZNQCLSA-N -1 1 352.387 2.304 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc2c([nH]c1=O)CCCC2 ZINC000121591324 326350028 /nfs/dbraw/zinc/35/00/28/326350028.db2.gz MBEVGYORFWBRSJ-UHFFFAOYSA-N -1 1 364.199 2.369 20 0 FEADMM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1sccc1Br ZINC000121593123 326350579 /nfs/dbraw/zinc/35/05/79/326350579.db2.gz KRJWQCZZBSGKKJ-MRVPVSSYSA-N -1 1 370.290 2.378 20 0 FEADMM C[C@H](CCO)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000125893370 326479660 /nfs/dbraw/zinc/47/96/60/326479660.db2.gz VLCLFLHSEPMYGI-SNVBAGLBSA-N -1 1 364.348 2.423 20 0 FEADMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1)C(=O)C2 ZINC000133248989 326605481 /nfs/dbraw/zinc/60/54/81/326605481.db2.gz QQDSGPUSFQLZGG-BMLIUANNSA-N -1 1 368.430 2.062 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1CO ZINC000133401506 326608212 /nfs/dbraw/zinc/60/82/12/326608212.db2.gz RXPQFYZSZAULFX-INIZCTEOSA-N -1 1 360.435 2.084 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000134604699 326628479 /nfs/dbraw/zinc/62/84/79/326628479.db2.gz FKPXCCVBFTYERX-NVXWUHKLSA-N -1 1 374.485 2.432 20 0 FEADMM C[C@@](NC(=O)c1cc(Br)ccc1[O-])(C(N)=O)c1ccccc1 ZINC000150785918 326667811 /nfs/dbraw/zinc/66/78/11/326667811.db2.gz MGBXCMLYRFYJSB-INIZCTEOSA-N -1 1 363.211 2.285 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1S(=O)(=O)NC1CC1 ZINC000150869455 326669859 /nfs/dbraw/zinc/66/98/59/326669859.db2.gz IYOOCDWUFBYDLI-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H](C)c2c(C)noc2C)c(=O)[n-]1 ZINC000152160545 326700324 /nfs/dbraw/zinc/70/03/24/326700324.db2.gz QLDCLTHNPBTJPA-VIFPVBQESA-N -1 1 364.471 2.258 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000154435176 326760020 /nfs/dbraw/zinc/76/00/20/326760020.db2.gz SLXIMVVYVAUFJW-UHFFFAOYSA-N -1 1 360.863 2.354 20 0 FEADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(CNC(C)=O)o3)cs2)on1 ZINC000154649875 326765473 /nfs/dbraw/zinc/76/54/73/326765473.db2.gz SFCWGPHPSCIONH-UHFFFAOYSA-N -1 1 362.367 2.288 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OCC2CC2)o1 ZINC000156053316 326815677 /nfs/dbraw/zinc/81/56/77/326815677.db2.gz PYQBJNZSGBGJPB-UHFFFAOYSA-N -1 1 350.396 2.229 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nccc2sccc21 ZINC000162685814 327032088 /nfs/dbraw/zinc/03/20/88/327032088.db2.gz CUIRXTTVBMEVPI-UHFFFAOYSA-N -1 1 353.407 2.430 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000171671576 327153989 /nfs/dbraw/zinc/15/39/89/327153989.db2.gz SNQGGTDZLMBYJT-QGZVFWFLSA-N -1 1 350.422 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)o1 ZINC000172874300 327223984 /nfs/dbraw/zinc/22/39/84/327223984.db2.gz BZLWAONBHFGJGT-JTQLQIEISA-N -1 1 372.830 2.038 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1SCCc2sccc21 ZINC000173449231 327258202 /nfs/dbraw/zinc/25/82/02/327258202.db2.gz AHRLMTMTAKGSGR-MRXNPFEDSA-N -1 1 374.491 2.348 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H](C)CC ZINC000173960262 327297814 /nfs/dbraw/zinc/29/78/14/327297814.db2.gz RCANIPFSKFJBDS-AMIZOPFISA-N -1 1 353.362 2.360 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174377223 327323193 /nfs/dbraw/zinc/32/31/93/327323193.db2.gz WSLOKENDPLYCNF-YOEHRIQHSA-N -1 1 352.438 2.474 20 0 FEADMM CN(CC(C)(C)O)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000174516339 327331946 /nfs/dbraw/zinc/33/19/46/327331946.db2.gz OBEJWVUVVNHPGL-UHFFFAOYSA-N -1 1 362.451 2.330 20 0 FEADMM CC(C)(O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000174826525 327353644 /nfs/dbraw/zinc/35/36/44/327353644.db2.gz PZRSARJQKHFMME-UHFFFAOYSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000175316586 327386625 /nfs/dbraw/zinc/38/66/25/327386625.db2.gz HJUNRGRZCOXTRH-KRWDZBQOSA-N -1 1 367.453 2.133 20 0 FEADMM COC(=O)C[C@@H](C)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000175381855 327390089 /nfs/dbraw/zinc/39/00/89/327390089.db2.gz AWFHFCXSXRUJJV-CQSZACIVSA-N -1 1 356.422 2.255 20 0 FEADMM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000175653275 327404766 /nfs/dbraw/zinc/40/47/66/327404766.db2.gz WHAVAZCYCPXLTR-SQQOMWROSA-N -1 1 369.430 2.462 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](O)C3)cc2)cc1C ZINC000177368496 327517202 /nfs/dbraw/zinc/51/72/02/327517202.db2.gz POYJSJGKKGTSEV-KRWDZBQOSA-N -1 1 374.462 2.311 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCc3c2cc(F)cc3F)ccc1[O-] ZINC000178165242 327569295 /nfs/dbraw/zinc/56/92/95/327569295.db2.gz PVAYYQRDXRLPNZ-UHFFFAOYSA-N -1 1 368.361 2.380 20 0 FEADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000264340016 329011877 /nfs/dbraw/zinc/01/18/77/329011877.db2.gz NGPWEUCJRONHKQ-SECBINFHSA-N -1 1 352.847 2.483 20 0 FEADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000264534192 329033610 /nfs/dbraw/zinc/03/36/10/329033610.db2.gz LGTQPRWEYUNVAJ-NWDGAFQWSA-N -1 1 354.834 2.049 20 0 FEADMM COC1CCC(N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000265301980 329112350 /nfs/dbraw/zinc/11/23/50/329112350.db2.gz MSDMPTYPMHTGCJ-UHFFFAOYSA-N -1 1 360.458 2.400 20 0 FEADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cc1 ZINC000265623226 329143868 /nfs/dbraw/zinc/14/38/68/329143868.db2.gz YLRUVLZPCPXURJ-UHFFFAOYSA-N -1 1 363.439 2.373 20 0 FEADMM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1C ZINC000266007888 329181425 /nfs/dbraw/zinc/18/14/25/329181425.db2.gz GLBPTABHBADBAH-UHFFFAOYSA-N -1 1 353.400 2.033 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c1C ZINC000266083626 329188679 /nfs/dbraw/zinc/18/86/79/329188679.db2.gz ODNIQHYTKWETEH-UHFFFAOYSA-N -1 1 357.407 2.477 20 0 FEADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266295816 329208888 /nfs/dbraw/zinc/20/88/88/329208888.db2.gz LAEDQYGNMDSLRP-SWLSCSKDSA-N -1 1 356.426 2.121 20 0 FEADMM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ncn(C)c3Cl)nc21 ZINC000266346142 329213525 /nfs/dbraw/zinc/21/35/25/329213525.db2.gz NZGJKVXOCWPLJY-UHFFFAOYSA-N -1 1 354.819 2.044 20 0 FEADMM COc1ccc(NC(=O)NCC(C)(C)SC)cc1[N-]S(C)(=O)=O ZINC000267035333 329285312 /nfs/dbraw/zinc/28/53/12/329285312.db2.gz DRGFRIAEIPCFFT-UHFFFAOYSA-N -1 1 361.489 2.330 20 0 FEADMM COc1cccc(O[C@H](C)CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000267204719 329302270 /nfs/dbraw/zinc/30/22/70/329302270.db2.gz YKMCPMODAABBDP-SNVBAGLBSA-N -1 1 363.439 2.418 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000267406809 329324089 /nfs/dbraw/zinc/32/40/89/329324089.db2.gz TYRAMZHJHNYSIB-SNVBAGLBSA-N -1 1 353.444 2.016 20 0 FEADMM CCCOc1ccc(CNC(=O)CS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000268694250 329446690 /nfs/dbraw/zinc/44/66/90/329446690.db2.gz ZZQWWONOSZOYLX-UHFFFAOYSA-N -1 1 363.435 2.271 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C1CCOCC1)c1cc(Cl)sc1Cl ZINC000269784779 329548769 /nfs/dbraw/zinc/54/87/69/329548769.db2.gz POFCACMVSWXPAA-MRVPVSSYSA-N -1 1 360.284 2.121 20 0 FEADMM CCSCc1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000270564688 329610637 /nfs/dbraw/zinc/61/06/37/329610637.db2.gz MMVWEGNRZLXRJZ-UHFFFAOYSA-N -1 1 355.441 2.088 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H](O)C(F)(F)F ZINC000270875525 329640424 /nfs/dbraw/zinc/64/04/24/329640424.db2.gz UTPGUVYRKZKFPZ-SCZZXKLOSA-N -1 1 351.268 2.084 20 0 FEADMM O=C(COc1ccccc1NC(=O)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000271438713 329693963 /nfs/dbraw/zinc/69/39/63/329693963.db2.gz UYJFOOFPCMCKQF-UHFFFAOYSA-N -1 1 374.368 2.021 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](CO)CC(C)(C)C ZINC000271473556 329696498 /nfs/dbraw/zinc/69/64/98/329696498.db2.gz DCDAOQTYYDGFFW-CQSZACIVSA-N -1 1 358.442 2.008 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2([C@@H](C)CCO)CCC2)c(=O)[n-]1 ZINC000271878315 329733419 /nfs/dbraw/zinc/73/34/19/329733419.db2.gz MOJHIWDURAEPHS-LBPRGKRZSA-N -1 1 367.515 2.450 20 0 FEADMM CCC[C@H](NCC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000273163911 329842122 /nfs/dbraw/zinc/84/21/22/329842122.db2.gz AVVDPCNDEDVZHJ-JSGCOSHPSA-N -1 1 352.431 2.114 20 0 FEADMM CCC[C@@H](NCC(=O)NCCOc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000273195260 329844486 /nfs/dbraw/zinc/84/44/86/329844486.db2.gz OWGMRTYMMQRNKD-CYBMUJFWSA-N -1 1 362.348 2.043 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)N1CCC(C)CC1 ZINC000273679516 329883497 /nfs/dbraw/zinc/88/34/97/329883497.db2.gz KNLOQCWFPOYRJK-OAHLLOKOSA-N -1 1 368.499 2.103 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cc(C)ccc3OC)no2)o1 ZINC000273754648 329889131 /nfs/dbraw/zinc/88/91/31/329889131.db2.gz QFCDYFDMLVIXBE-UHFFFAOYSA-N -1 1 363.395 2.146 20 0 FEADMM COc1ccc(NC(=O)N(C)CC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000276038915 330113731 /nfs/dbraw/zinc/11/37/31/330113731.db2.gz FRHWCAUNUTUSNY-UHFFFAOYSA-N -1 1 355.338 2.093 20 0 FEADMM CO[C@H](C)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000276072343 330116603 /nfs/dbraw/zinc/11/66/03/330116603.db2.gz SSUYDJINRHOXHC-MRVPVSSYSA-N -1 1 350.293 2.268 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@H]2COC[C@H]21 ZINC000367113780 330218451 /nfs/dbraw/zinc/21/84/51/330218451.db2.gz OGHJMMTVYOTRDW-JOYOIKCWSA-N -1 1 373.190 2.248 20 0 FEADMM CC(=O)N(c1nc(COC(=O)c2cn[n-]n2)cs1)c1ccccc1F ZINC000805604496 674347262 /nfs/dbraw/zinc/34/72/62/674347262.db2.gz LGBIQMCALCMJKN-UHFFFAOYSA-N -1 1 361.358 2.442 20 0 FEADMM C[C@H]1CCN(C[C@@H](O)CC(F)(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789055 674354396 /nfs/dbraw/zinc/35/43/96/674354396.db2.gz UITGCXHQXBPVAI-XKNYDFJKSA-N -1 1 350.303 2.077 20 0 FEADMM CC[C@H](O)CCCNC(=O)c1ccc(I)c([O-])c1 ZINC000398579965 558626741 /nfs/dbraw/zinc/62/67/41/558626741.db2.gz ZYPLGHATSJQHPP-JTQLQIEISA-N -1 1 363.195 2.278 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)sc1Br ZINC000155473787 545530776 /nfs/dbraw/zinc/53/07/76/545530776.db2.gz 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ZINC000477361803 561143006 /nfs/dbraw/zinc/14/30/06/561143006.db2.gz SICCKGUABWOASY-UHFFFAOYSA-N -1 1 362.407 2.226 20 0 FEADMM CCCOc1cc(F)ccc1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000156792455 545660015 /nfs/dbraw/zinc/66/00/15/545660015.db2.gz CLDSAZFKQBIDSO-UHFFFAOYSA-N -1 1 356.375 2.368 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000156985651 545685642 /nfs/dbraw/zinc/68/56/42/545685642.db2.gz RNWHKKGEKFTHFH-ZBFHGGJFSA-N -1 1 358.442 2.058 20 0 FEADMM Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(Br)cc1[O-])C2 ZINC000157192768 545711047 /nfs/dbraw/zinc/71/10/47/545711047.db2.gz GAFVSMKCUFGAED-LLVKDONJSA-N -1 1 350.216 2.404 20 0 FEADMM CN1CCc2ccc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)cc21 ZINC000477609945 561149183 /nfs/dbraw/zinc/14/91/83/561149183.db2.gz HRERKOQZQQWOKG-UHFFFAOYSA-N -1 1 363.414 2.442 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000477611368 561149231 /nfs/dbraw/zinc/14/92/31/561149231.db2.gz OLUPNIYPLHIOSY-LBPRGKRZSA-N -1 1 371.397 2.290 20 0 FEADMM CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000478679106 561172589 /nfs/dbraw/zinc/17/25/89/561172589.db2.gz QXMMCCPOHWQGTF-NSHDSACASA-N -1 1 365.411 2.254 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cc1C ZINC000171181010 546195728 /nfs/dbraw/zinc/19/57/28/546195728.db2.gz VZVFTDQKEVLDLH-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2NC1=O ZINC000479537117 561191567 /nfs/dbraw/zinc/19/15/67/561191567.db2.gz NADVSEWUUYMOFP-UHFFFAOYSA-N -1 1 374.378 2.312 20 0 FEADMM COc1cccc(F)c1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000479557789 561191873 /nfs/dbraw/zinc/19/18/73/561191873.db2.gz VOBVHNGRLSFPLH-UHFFFAOYSA-N -1 1 354.359 2.299 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(F)cccc1Cl)N1Cc2ccccc2C1 ZINC000480953502 561221107 /nfs/dbraw/zinc/22/11/07/561221107.db2.gz KTRVSNGDMUZNIT-UHFFFAOYSA-N -1 1 368.817 2.300 20 0 FEADMM CCOc1cc(O)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000481511991 561234749 /nfs/dbraw/zinc/23/47/49/561234749.db2.gz RECUWJDAFGJHHQ-UHFFFAOYSA-N -1 1 356.338 2.101 20 0 FEADMM CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000178830786 546857888 /nfs/dbraw/zinc/85/78/88/546857888.db2.gz CMOZNEQAKPGAJX-UHFFFAOYSA-N -1 1 372.231 2.414 20 0 FEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000481700016 561239038 /nfs/dbraw/zinc/23/90/38/561239038.db2.gz ANEJIMNPYMPXFO-DYVFJYSZSA-N -1 1 352.456 2.454 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000179538454 546973663 /nfs/dbraw/zinc/97/36/63/546973663.db2.gz OAPSFKOREILKMS-VXGBXAGGSA-N -1 1 368.361 2.060 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000179541584 546974299 /nfs/dbraw/zinc/97/42/99/546974299.db2.gz BGQLMKSJUGJJQI-QWRGUYRKSA-N -1 1 368.361 2.060 20 0 FEADMM CC(C)(NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1nn[n-]n1 ZINC000482361745 561253145 /nfs/dbraw/zinc/25/31/45/561253145.db2.gz DPJRBMOXCDXBNS-UHFFFAOYSA-N -1 1 363.219 2.038 20 0 FEADMM NC(=O)c1cccc(CCNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000180485479 547116095 /nfs/dbraw/zinc/11/60/95/547116095.db2.gz DWKZPWAAQOYFDX-UHFFFAOYSA-N -1 1 352.312 2.482 20 0 FEADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1S(=O)(=O)N(C)C ZINC000181090033 547248007 /nfs/dbraw/zinc/24/80/07/547248007.db2.gz MKXSCFJXTLPCQW-UHFFFAOYSA-N -1 1 352.387 2.342 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000181411319 547310691 /nfs/dbraw/zinc/31/06/91/547310691.db2.gz DSWIHLKGPGNLKR-UHFFFAOYSA-N -1 1 357.357 2.490 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)c(Cl)c1 ZINC000483695794 561282275 /nfs/dbraw/zinc/28/22/75/561282275.db2.gz CKGZBKVNSOOJCZ-VIFPVBQESA-N -1 1 351.765 2.187 20 0 FEADMM O=C(Nc1nn[n-]n1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000181995592 547418938 /nfs/dbraw/zinc/41/89/38/547418938.db2.gz SRTWFCOKFBESQP-UHFFFAOYSA-N -1 1 353.111 2.009 20 0 FEADMM COCc1nnc(-c2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2)o1 ZINC000182020642 547423399 /nfs/dbraw/zinc/42/33/99/547423399.db2.gz ALNXHSHFACGAEL-UHFFFAOYSA-N -1 1 368.275 2.272 20 0 FEADMM CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2ncccc2[O-])c1C ZINC000484051846 561290641 /nfs/dbraw/zinc/29/06/41/561290641.db2.gz XEPBUZLZKAYAAF-UHFFFAOYSA-N -1 1 370.409 2.203 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2nc3ncccn3n2)c1 ZINC000182901169 547569236 /nfs/dbraw/zinc/56/92/36/547569236.db2.gz ZSFLAZDLAOTUJH-UHFFFAOYSA-N -1 1 362.187 2.082 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1nc(-c2ccccc2F)cs1 ZINC000484288285 561295583 /nfs/dbraw/zinc/29/55/83/561295583.db2.gz HPDYYCGIFQNDLL-UHFFFAOYSA-N -1 1 372.381 2.418 20 0 FEADMM Cc1cc(-c2csc(NC(=O)CNC(=O)c3ncccc3[O-])n2)c(C)o1 ZINC000484189653 561293184 /nfs/dbraw/zinc/29/31/84/561293184.db2.gz DMJJVMBMBTXLKR-UHFFFAOYSA-N -1 1 372.406 2.489 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1nn[n-]n1 ZINC000183413702 547654251 /nfs/dbraw/zinc/65/42/51/547654251.db2.gz JAWJGFJWRHFHLF-JTQLQIEISA-N -1 1 360.805 2.313 20 0 FEADMM Cc1ccccc1-n1nc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c2c1CCC2 ZINC000183435818 547658877 /nfs/dbraw/zinc/65/88/77/547658877.db2.gz NDBBZTLTERCFDP-ZDUSSCGKSA-N -1 1 365.441 2.058 20 0 FEADMM COC(=O)c1c[n-]c(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1 ZINC000484557057 561299972 /nfs/dbraw/zinc/29/99/72/561299972.db2.gz KQFSYFDOYZEPKB-UHFFFAOYSA-N -1 1 360.351 2.267 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)oc1C ZINC000484576701 561300479 /nfs/dbraw/zinc/30/04/79/561300479.db2.gz SKBPBLZWFSBEOK-UHFFFAOYSA-N -1 1 357.315 2.013 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)Oc1ccccc1F ZINC000484798750 561306241 /nfs/dbraw/zinc/30/62/41/561306241.db2.gz SDYCXSOPZGRPIZ-LLVKDONJSA-N -1 1 371.386 2.341 20 0 FEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)CCc2ccccc2)c1OC ZINC000484953573 561309241 /nfs/dbraw/zinc/30/92/41/561309241.db2.gz CPMOTRGJINRECT-UHFFFAOYSA-N -1 1 365.407 2.386 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185103856 547933873 /nfs/dbraw/zinc/93/38/73/547933873.db2.gz FOSBTMBVCOIABN-BXKDBHETSA-N -1 1 372.874 2.250 20 0 FEADMM COC(=O)Cn1cnc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)n1 ZINC000485353969 561317309 /nfs/dbraw/zinc/31/73/09/561317309.db2.gz QCWHVWSXEOGMNY-UHFFFAOYSA-N -1 1 354.153 2.074 20 0 FEADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(=O)n1C ZINC000485998492 561334702 /nfs/dbraw/zinc/33/47/02/561334702.db2.gz YNHHYEOCZUUWHK-UHFFFAOYSA-N -1 1 351.410 2.480 20 0 FEADMM Cn1cncc1CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000186935407 548224258 /nfs/dbraw/zinc/22/42/58/548224258.db2.gz VTZIOFJJXWJTGF-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc3ccccc3c2)c1 ZINC000192731425 548372674 /nfs/dbraw/zinc/37/26/74/548372674.db2.gz ZZRJURVTKHNDJW-UHFFFAOYSA-N -1 1 356.403 2.374 20 0 FEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000194596729 548502836 /nfs/dbraw/zinc/50/28/36/548502836.db2.gz IUCVGOWVINRGTN-UHFFFAOYSA-N -1 1 360.844 2.049 20 0 FEADMM O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ncccc1[O-] ZINC000194661327 548513448 /nfs/dbraw/zinc/51/34/48/548513448.db2.gz DPRAOFZYGBEKGJ-OAHLLOKOSA-N -1 1 361.829 2.244 20 0 FEADMM CCOC(=O)N1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000194935652 548553488 /nfs/dbraw/zinc/55/34/88/548553488.db2.gz ISGPWUHRAGIXCQ-UHFFFAOYSA-N -1 1 371.231 2.459 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCOc2cccc(C)c2C)o1 ZINC000486851294 561358328 /nfs/dbraw/zinc/35/83/28/561358328.db2.gz FWWGLTWKXTWSQI-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)NCCOc2cccc(C)c2)n1 ZINC000195071189 548572180 /nfs/dbraw/zinc/57/21/80/548572180.db2.gz NMQZJAATCWFWPL-CYBMUJFWSA-N -1 1 361.467 2.317 20 0 FEADMM O=S(=O)(Cc1nccn1C(F)F)c1nc(-c2ccccc2F)n[n-]1 ZINC000195127846 548581489 /nfs/dbraw/zinc/58/14/89/548581489.db2.gz QAWIFXMBEHGYRY-UHFFFAOYSA-N -1 1 357.317 2.176 20 0 FEADMM O=S(=O)(Cc1nccn1C(F)F)c1n[n-]c(-c2ccccc2F)n1 ZINC000195127846 548581493 /nfs/dbraw/zinc/58/14/93/548581493.db2.gz QAWIFXMBEHGYRY-UHFFFAOYSA-N -1 1 357.317 2.176 20 0 FEADMM Cc1ncsc1CCS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000195160497 548587187 /nfs/dbraw/zinc/58/71/87/548587187.db2.gz FSWGQJKCFMZAHQ-UHFFFAOYSA-N -1 1 354.482 2.238 20 0 FEADMM Cc1ncsc1CCS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195160497 548587191 /nfs/dbraw/zinc/58/71/91/548587191.db2.gz FSWGQJKCFMZAHQ-UHFFFAOYSA-N -1 1 354.482 2.238 20 0 FEADMM Cc1ncsc1CCS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195160497 548587197 /nfs/dbraw/zinc/58/71/97/548587197.db2.gz FSWGQJKCFMZAHQ-UHFFFAOYSA-N -1 1 354.482 2.238 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195176252 548590844 /nfs/dbraw/zinc/59/08/44/548590844.db2.gz DZYZDMDFDXZZLF-LPWJVIDDSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195176252 548590846 /nfs/dbraw/zinc/59/08/46/548590846.db2.gz DZYZDMDFDXZZLF-LPWJVIDDSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195176252 548590848 /nfs/dbraw/zinc/59/08/48/548590848.db2.gz DZYZDMDFDXZZLF-LPWJVIDDSA-N -1 1 370.519 2.205 20 0 FEADMM COc1ccccc1C[C@@H](CNC(=O)c1cc(F)cc2nc[nH]c21)C(=O)[O-] ZINC000237229081 548810428 /nfs/dbraw/zinc/81/04/28/548810428.db2.gz BKOUEBLRYKWZMJ-LBPRGKRZSA-N -1 1 371.368 2.384 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000242810738 548888008 /nfs/dbraw/zinc/88/80/08/548888008.db2.gz FJHTYBOMLDXCBQ-UHFFFAOYSA-N -1 1 352.387 2.003 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000488616425 561393132 /nfs/dbraw/zinc/39/31/32/561393132.db2.gz HNNVHLVPSDFAHW-ZDUSSCGKSA-N -1 1 359.813 2.187 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCc1cccc(C(F)(F)F)n1)c2=O ZINC000489133752 561404135 /nfs/dbraw/zinc/40/41/35/561404135.db2.gz ZKSFJIHPLXCDDF-UHFFFAOYSA-N -1 1 365.315 2.060 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n[nH]1 ZINC000248515425 549453031 /nfs/dbraw/zinc/45/30/31/549453031.db2.gz FZYSTFUBXUJNHR-MAZHCROVSA-N -1 1 371.441 2.285 20 0 FEADMM COc1cc(C)cnc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000489946318 561422919 /nfs/dbraw/zinc/42/29/19/561422919.db2.gz DBBBLQYFJKOIJA-UHFFFAOYSA-N -1 1 353.375 2.162 20 0 FEADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCOC)c1 ZINC000253438863 549689648 /nfs/dbraw/zinc/68/96/48/549689648.db2.gz ZIXPMAAGYMYJBL-UHFFFAOYSA-N -1 1 362.451 2.426 20 0 FEADMM C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(N)=O ZINC000490105629 561426838 /nfs/dbraw/zinc/42/68/38/561426838.db2.gz XORFSUJXBFIRCQ-RFAUZJTJSA-N -1 1 372.368 2.040 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000261792926 549756005 /nfs/dbraw/zinc/75/60/05/549756005.db2.gz DALPOJVIBKCAMO-JSGCOSHPSA-N -1 1 354.472 2.092 20 0 FEADMM CCC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC000490360587 561431736 /nfs/dbraw/zinc/43/17/36/561431736.db2.gz DDIPKWHQSMVAEM-CQSZACIVSA-N -1 1 363.364 2.453 20 0 FEADMM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000263274469 549891503 /nfs/dbraw/zinc/89/15/03/549891503.db2.gz XVAGOWBUZMUKPV-UHFFFAOYSA-N -1 1 353.382 2.243 20 0 FEADMM CC(=O)NCCN(Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H](C)C(=O)[O-] ZINC000263313302 549894033 /nfs/dbraw/zinc/89/40/33/549894033.db2.gz IHZJOBKTUQUPRV-SECBINFHSA-N -1 1 373.240 2.052 20 0 FEADMM CO[C@@H]1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000263932480 549956807 /nfs/dbraw/zinc/95/68/07/549956807.db2.gz AYYGMNAMBOCBDH-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000268254046 550040490 /nfs/dbraw/zinc/04/04/90/550040490.db2.gz VJSVZPQTOXKROZ-NSHDSACASA-N -1 1 351.453 2.488 20 0 FEADMM COc1cc(OC)cc(N2CCCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000268267233 550042801 /nfs/dbraw/zinc/04/28/01/550042801.db2.gz AUFMKNKFMRHUQA-UHFFFAOYSA-N -1 1 357.410 2.157 20 0 FEADMM COc1ccccc1N1CC[C@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000268389400 550057725 /nfs/dbraw/zinc/05/77/25/550057725.db2.gz PIGVBLROPPLQND-LBPRGKRZSA-N -1 1 374.466 2.230 20 0 FEADMM COCc1nnc(S(=O)(=O)Cc2c(C)cc(C)c(C(C)=O)c2C)[n-]1 ZINC000268500375 550077280 /nfs/dbraw/zinc/07/72/80/550077280.db2.gz RUXZYAVEFQRFBO-UHFFFAOYSA-N -1 1 351.428 2.053 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2c(C)cc(C)c(C(C)=O)c2C)n[n-]1 ZINC000268500375 550077282 /nfs/dbraw/zinc/07/72/82/550077282.db2.gz RUXZYAVEFQRFBO-UHFFFAOYSA-N -1 1 351.428 2.053 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)cc2=O)cc1 ZINC000270717897 550299966 /nfs/dbraw/zinc/29/99/66/550299966.db2.gz HNCNBDCBZKJVDN-LBPRGKRZSA-N -1 1 354.414 2.207 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC[C@@H]2CCOC2)c1)OCC(F)(F)F ZINC000271251229 550358060 /nfs/dbraw/zinc/35/80/60/550358060.db2.gz KNASXUVQTRBPNJ-VIFPVBQESA-N -1 1 362.304 2.269 20 0 FEADMM COC(=O)c1ccc2c(c1)CN(C(=O)c1c(C)[n-]c(=O)nc1SC)CC2 ZINC000271272049 550359600 /nfs/dbraw/zinc/35/96/00/550359600.db2.gz AUOWYHSHKYBLEO-UHFFFAOYSA-N -1 1 373.434 2.198 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)o1 ZINC000272422965 550446840 /nfs/dbraw/zinc/44/68/40/550446840.db2.gz MXVBAVOOPNRYOY-UHFFFAOYSA-N -1 1 368.411 2.117 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC(CCCO)CC1 ZINC000272857268 550473800 /nfs/dbraw/zinc/47/38/00/550473800.db2.gz RMRODOAWAXCCPZ-UHFFFAOYSA-N -1 1 370.453 2.106 20 0 FEADMM COC(=O)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCOCC1 ZINC000273075675 550484056 /nfs/dbraw/zinc/48/40/56/550484056.db2.gz GHIWERBQMSVVBX-UHFFFAOYSA-N -1 1 361.316 2.111 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(Cl)c(Br)c1)c1nn[n-]n1 ZINC000274828873 550557974 /nfs/dbraw/zinc/55/79/74/550557974.db2.gz YYUZBTKKMCIOPV-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000278599616 550802717 /nfs/dbraw/zinc/80/27/17/550802717.db2.gz VGTOTKNOGTYMIQ-KRWDZBQOSA-N -1 1 367.471 2.264 20 0 FEADMM CC(=O)OCCCSCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000278694741 550812076 /nfs/dbraw/zinc/81/20/76/550812076.db2.gz QFNKJGMFTNMJMY-UHFFFAOYSA-N -1 1 361.366 2.231 20 0 FEADMM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000278804216 550823860 /nfs/dbraw/zinc/82/38/60/550823860.db2.gz ZAKXJWMYQUJTQX-GOEBONIOSA-N -1 1 359.422 2.031 20 0 FEADMM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C(F)(F)c1ncccc1C ZINC000278868546 550830785 /nfs/dbraw/zinc/83/07/85/550830785.db2.gz VBTIZEWORMMKOF-UHFFFAOYSA-N -1 1 367.308 2.022 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](O)Cc3ccccc32)c(=O)[n-]1 ZINC000279456459 550892303 /nfs/dbraw/zinc/89/23/03/550892303.db2.gz DVVBKPWUYHCSDB-ZDUSSCGKSA-N -1 1 359.451 2.095 20 0 FEADMM CO[C@]1(C)CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000280228330 550973263 /nfs/dbraw/zinc/97/32/63/550973263.db2.gz XLYPONUDKICQAV-LJQANCHMSA-N -1 1 356.426 2.123 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCCN(Cc2cscn2)CC1 ZINC000280879738 551041970 /nfs/dbraw/zinc/04/19/70/551041970.db2.gz YOTKMEJFLXRGBN-UHFFFAOYSA-N -1 1 353.394 2.475 20 0 FEADMM C[S@](=O)C1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000281708724 551133094 /nfs/dbraw/zinc/13/30/94/551133094.db2.gz ASHXJAURRBGVEK-IBGZPJMESA-N -1 1 360.259 2.322 20 0 FEADMM O=C(C[C@H]1COCCN1C(=O)C(=O)c1ccc([O-])cc1)c1cccs1 ZINC000281275217 551080225 /nfs/dbraw/zinc/08/02/25/551080225.db2.gz PVZUYTZLRBGPAN-ZDUSSCGKSA-N -1 1 359.403 2.137 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)CCN1CC(C)(C)O ZINC000281458783 551099972 /nfs/dbraw/zinc/09/99/72/551099972.db2.gz CXXDLOQSFQFYDA-NSHDSACASA-N -1 1 360.376 2.328 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2cccc3nccnc32)CC1)C(F)(F)F ZINC000281747382 551138335 /nfs/dbraw/zinc/13/83/35/551138335.db2.gz PESITNPHDKQENK-UHFFFAOYSA-N -1 1 366.343 2.161 20 0 FEADMM COc1ccc(C)nc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281877661 551151888 /nfs/dbraw/zinc/15/18/88/551151888.db2.gz FZTCNBZLUIPAOM-UHFFFAOYSA-N -1 1 374.363 2.321 20 0 FEADMM COc1cccc(-n2c(=O)c3ccccc3nc2SCc2nn[n-]n2)c1 ZINC000497354229 561499159 /nfs/dbraw/zinc/49/91/59/561499159.db2.gz CYXIJUIXSHPCLA-UHFFFAOYSA-N -1 1 366.406 2.200 20 0 FEADMM O=c1c2ccc(Cl)cc2nc(SCc2nn[n-]n2)n1Cc1ccco1 ZINC000497355523 561499175 /nfs/dbraw/zinc/49/91/75/561499175.db2.gz YBWMOCVWNKMDJG-UHFFFAOYSA-N -1 1 374.813 2.497 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)OC)c1ccc2ccccc2c1 ZINC000282426503 551227103 /nfs/dbraw/zinc/22/71/03/551227103.db2.gz FTFVNFDGNFQBJS-LRDDRELGSA-N -1 1 351.424 2.008 20 0 FEADMM CCC(CC)(CCO)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000282745891 551265956 /nfs/dbraw/zinc/26/59/56/551265956.db2.gz ZSGORGYHIVQNND-UHFFFAOYSA-N -1 1 373.475 2.129 20 0 FEADMM O=C(COc1ccc2ccccc2c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282901480 551283613 /nfs/dbraw/zinc/28/36/13/551283613.db2.gz LQSVRAAGIUHZNB-OAHLLOKOSA-N -1 1 352.394 2.036 20 0 FEADMM O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282915719 551284999 /nfs/dbraw/zinc/28/49/99/551284999.db2.gz NFSMTCGDOISUAP-JTQLQIEISA-N -1 1 355.225 2.354 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(CC(F)F)c1)c1ccc(F)cc1 ZINC000530133673 562399192 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CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000324489897 553772457 /nfs/dbraw/zinc/77/24/57/553772457.db2.gz OGNLRYKBGXUHMA-YRGRVCCFSA-N -1 1 357.476 2.326 20 0 FEADMM NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000326436705 553780687 /nfs/dbraw/zinc/78/06/87/553780687.db2.gz TUAFOQFFGHCQHH-UHFFFAOYSA-N -1 1 369.786 2.330 20 0 FEADMM COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000326611059 553781968 /nfs/dbraw/zinc/78/19/68/553781968.db2.gz JQIFKEOCLSENIQ-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000327366783 553788658 /nfs/dbraw/zinc/78/86/58/553788658.db2.gz QIQJOANHHAQJMM-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM COc1ccc(=NC(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)[n-]n1 ZINC000328949144 553851734 /nfs/dbraw/zinc/85/17/34/553851734.db2.gz BYYRBYKRGVDGOA-VIFPVBQESA-N -1 1 370.335 2.639 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)[C@H]2CCCOC2)ccc1[N-]S(C)(=O)=O ZINC000506619966 561703904 /nfs/dbraw/zinc/70/39/04/561703904.db2.gz FWVUZGSXTFMVMC-NEPJUHHUSA-N -1 1 371.459 2.003 20 0 FEADMM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC000506616984 561703952 /nfs/dbraw/zinc/70/39/52/561703952.db2.gz GWTYADMZAZJOSK-UHFFFAOYSA-N -1 1 350.396 2.133 20 0 FEADMM COCCn1ccc([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000330087634 554062498 /nfs/dbraw/zinc/06/24/98/554062498.db2.gz UAHMZJMNHFHBPG-UHFFFAOYSA-N -1 1 356.492 2.233 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)cc1 ZINC000507563267 561733343 /nfs/dbraw/zinc/73/33/43/561733343.db2.gz HCQKCTVBKUQYGI-UHFFFAOYSA-N -1 1 350.371 2.189 20 0 FEADMM O=C(c1csc(=NC2CC2)[nH]1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000330225978 554088735 /nfs/dbraw/zinc/08/87/35/554088735.db2.gz OMVKBIYAKIYTAD-HNNXBMFYSA-N -1 1 365.499 2.908 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000330225978 554088739 /nfs/dbraw/zinc/08/87/39/554088739.db2.gz OMVKBIYAKIYTAD-HNNXBMFYSA-N -1 1 365.499 2.908 20 0 FEADMM O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507875901 561744170 /nfs/dbraw/zinc/74/41/70/561744170.db2.gz IMYUJQOCYTYBCE-HNNXBMFYSA-N -1 1 353.382 2.040 20 0 FEADMM O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507875903 561744210 /nfs/dbraw/zinc/74/42/10/561744210.db2.gz IMYUJQOCYTYBCE-OAHLLOKOSA-N -1 1 353.382 2.040 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(O)cc(OC)c1)c1ccccc1 ZINC000507892666 561744949 /nfs/dbraw/zinc/74/49/49/561744949.db2.gz KNBXURFPWPKTBO-MRXNPFEDSA-N -1 1 365.407 2.099 20 0 FEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000508177042 561754236 /nfs/dbraw/zinc/75/42/36/561754236.db2.gz BOCMXONOWVJVNS-UHFFFAOYSA-N -1 1 364.427 2.276 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c(F)c1 ZINC000508080933 561750605 /nfs/dbraw/zinc/75/06/05/561750605.db2.gz BBXKPDYMZTUIPK-UHFFFAOYSA-N -1 1 365.342 2.258 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000330624626 554146856 /nfs/dbraw/zinc/14/68/56/554146856.db2.gz GMXKGKVAIVMJTC-VHSXEESVSA-N -1 1 366.361 2.347 20 0 FEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2[nH]nc(CC)c2C)c1 ZINC000508194528 561754784 /nfs/dbraw/zinc/75/47/84/561754784.db2.gz MCDRYWNPDVGERH-UHFFFAOYSA-N -1 1 367.427 2.267 20 0 FEADMM CC(C)[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N1CCOCC1 ZINC000330802441 554173436 /nfs/dbraw/zinc/17/34/36/554173436.db2.gz FOWZWEUKKDQPPO-NSHDSACASA-N -1 1 365.377 2.177 20 0 FEADMM CC(C)n1cc2cc(NC(=O)CNC(=O)c3ncccc3[O-])ccc2n1 ZINC000508373893 561760444 /nfs/dbraw/zinc/76/04/44/561760444.db2.gz CZQQOFUEXFHBNW-UHFFFAOYSA-N -1 1 353.382 2.086 20 0 FEADMM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000331016680 554201361 /nfs/dbraw/zinc/20/13/61/554201361.db2.gz ZOQUSZCWDXJPAE-CHWSQXEVSA-N -1 1 372.487 2.122 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2Br)n1 ZINC000331254393 554237187 /nfs/dbraw/zinc/23/71/87/554237187.db2.gz WYTZTOHPWYEYDH-MRVPVSSYSA-N -1 1 360.233 2.488 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@H]1N1CCOCC1 ZINC000331283867 554241443 /nfs/dbraw/zinc/24/14/43/554241443.db2.gz RZJHTABEAGTXNT-IUODEOHRSA-N -1 1 368.861 2.237 20 0 FEADMM CC(C)(C)c1cnc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)s1 ZINC000331620747 554296257 /nfs/dbraw/zinc/29/62/57/554296257.db2.gz FDFBGWDSVQOLOO-UHFFFAOYSA-N -1 1 367.504 2.228 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509294674 561793985 /nfs/dbraw/zinc/79/39/85/561793985.db2.gz QKUDHLNZTSMBTI-UHFFFAOYSA-N -1 1 372.303 2.131 20 0 FEADMM COc1cc([N-]S(=O)(=O)C[C@@H](C)OC)cc(OC)c1Br ZINC000509390469 561797505 /nfs/dbraw/zinc/79/75/05/561797505.db2.gz IFOWXQBJFPEAAE-MRVPVSSYSA-N -1 1 368.249 2.243 20 0 FEADMM Cn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000331913884 554345673 /nfs/dbraw/zinc/34/56/73/554345673.db2.gz AYANMJUVZLJXJK-RYUDHWBXSA-N -1 1 359.810 2.021 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)C(C)C ZINC000509434973 561799411 /nfs/dbraw/zinc/79/94/11/561799411.db2.gz IJUQCWIODBGPQV-LLVKDONJSA-N -1 1 370.254 2.075 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C)c2=O ZINC000332004815 554361453 /nfs/dbraw/zinc/36/14/53/554361453.db2.gz JAIIUEKHOJRYEA-CHWSQXEVSA-N -1 1 356.426 2.163 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)C(=O)N3CCCC[C@H]3C)cnc2n1 ZINC000332004815 554361455 /nfs/dbraw/zinc/36/14/55/554361455.db2.gz JAIIUEKHOJRYEA-CHWSQXEVSA-N -1 1 356.426 2.163 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)co1 ZINC000332048801 554369759 /nfs/dbraw/zinc/36/97/59/554369759.db2.gz YQZLUSYKZUMOQS-WDEREUQCSA-N -1 1 366.414 2.475 20 0 FEADMM COC(=O)[C@H](CN=c1nc([C@H](C)OC)[n-]s1)Cc1ccccc1OC ZINC000509568313 561805565 /nfs/dbraw/zinc/80/55/65/561805565.db2.gz JMMQLMWSAVAADW-AAEUAGOBSA-N -1 1 365.455 2.120 20 0 FEADMM CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509575353 561805725 /nfs/dbraw/zinc/80/57/25/561805725.db2.gz VTTUBLLRWKWBIS-UHFFFAOYSA-N -1 1 357.775 2.126 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)cc1C ZINC000509646525 561808664 /nfs/dbraw/zinc/80/86/64/561808664.db2.gz MRNUMZZQWFJMHM-UHFFFAOYSA-N -1 1 370.434 2.389 20 0 FEADMM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)N1CCc2ccccc2C1 ZINC000332179814 554395773 /nfs/dbraw/zinc/39/57/73/554395773.db2.gz WIQZGDVIAQFOEA-UHFFFAOYSA-N -1 1 360.361 2.160 20 0 FEADMM Cc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1C(F)(F)F ZINC000509919080 561818734 /nfs/dbraw/zinc/81/87/34/561818734.db2.gz JWCVLVKPURHUBB-UHFFFAOYSA-N -1 1 353.300 2.483 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](C)OC ZINC000509951960 561819787 /nfs/dbraw/zinc/81/97/87/561819787.db2.gz BDCDVBNOWNSWOS-ZETCQYMHSA-N -1 1 356.227 2.093 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1N1CCCCC1 ZINC000509961256 561820070 /nfs/dbraw/zinc/82/00/70/561820070.db2.gz YLFAAKIMBOHQRT-UHFFFAOYSA-N -1 1 354.410 2.146 20 0 FEADMM C[C@H](N=c1ccc(N2CCO[C@@]3(CCCOC3)C2)n[n-]1)c1ccccc1 ZINC000333525751 554621175 /nfs/dbraw/zinc/62/11/75/554621175.db2.gz XAXPGWTXPIOAOX-JXFKEZNVSA-N -1 1 354.454 3.036 20 0 FEADMM CC[C@@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@]2(CCOC2)O1 ZINC000333603207 554626864 /nfs/dbraw/zinc/62/68/64/554626864.db2.gz WUFFZKSXNIDFFU-UZLBHIALSA-N -1 1 372.444 3.002 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC1(c2ccccc2)CCCCC1 ZINC000511059542 561855217 /nfs/dbraw/zinc/85/52/17/561855217.db2.gz NGUZARPYULLTLK-UHFFFAOYSA-N -1 1 353.422 2.493 20 0 FEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000511089878 561856433 /nfs/dbraw/zinc/85/64/33/561856433.db2.gz LKXBNABFDLZHOM-INIZCTEOSA-N -1 1 373.428 2.382 20 0 FEADMM COc1cc(-c2noc([C@@H]3CC(=O)N(C)C3)n2)cc(Br)c1[O-] ZINC000350774372 554812287 /nfs/dbraw/zinc/81/22/87/554812287.db2.gz IUYMNZWRHGWAKF-MRVPVSSYSA-N -1 1 368.187 2.159 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ncccc3SC)no2)o1 ZINC000350919543 554822448 /nfs/dbraw/zinc/82/24/48/554822448.db2.gz CFUMDAFRUOKXBW-UHFFFAOYSA-N -1 1 352.397 2.022 20 0 FEADMM CCO[C@@H](c1noc(-c2coc(S(=O)(=O)[N-]C)c2)n1)c1ccccc1 ZINC000351016729 554829797 /nfs/dbraw/zinc/82/97/97/554829797.db2.gz SZLGZSROUHGPTE-CQSZACIVSA-N -1 1 363.395 2.364 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000362272283 554959082 /nfs/dbraw/zinc/95/90/82/554959082.db2.gz DBQZWAIBGIBXQN-RDJZCZTQSA-N -1 1 370.453 2.415 20 0 FEADMM Cc1cc2c(cc1NC(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[nH]1)OCO2 ZINC000511734456 561879280 /nfs/dbraw/zinc/87/92/80/561879280.db2.gz HNNRZRVKELCMFH-UHFFFAOYSA-N -1 1 354.322 2.034 20 0 FEADMM CCSc1ccc(Cl)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363366090 555087027 /nfs/dbraw/zinc/08/70/27/555087027.db2.gz XYYFKNRJVIDBMC-NSHDSACASA-N -1 1 353.835 2.179 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)Oc1ccccc1F ZINC000511896728 561884455 /nfs/dbraw/zinc/88/44/55/561884455.db2.gz OQBVYKCXBXCURV-GFCCVEGCSA-N -1 1 358.373 2.275 20 0 FEADMM CC(=O)c1cnc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000363412967 555099343 /nfs/dbraw/zinc/09/93/43/555099343.db2.gz WPUPIIOEMPTSAF-UHFFFAOYSA-N -1 1 369.406 2.393 20 0 FEADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3ccc(N4CCCCC4)nc3)cnc1-2 ZINC000511975585 561887592 /nfs/dbraw/zinc/88/75/92/561887592.db2.gz WRWPNRFQAYUTJG-UHFFFAOYSA-N -1 1 352.398 2.312 20 0 FEADMM O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1ccncc1[O-] ZINC000511999017 561888500 /nfs/dbraw/zinc/88/85/00/561888500.db2.gz DAGLKFYSGDQUCV-UHFFFAOYSA-N -1 1 351.391 2.321 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c2=O ZINC000512161682 561894547 /nfs/dbraw/zinc/89/45/47/561894547.db2.gz XPCHGFIGTALSDQ-UHFFFAOYSA-N -1 1 362.430 2.304 20 0 FEADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1nn[n-]n1 ZINC000363988405 555228401 /nfs/dbraw/zinc/22/84/01/555228401.db2.gz WJWABDZJPDVLFX-JTQLQIEISA-N -1 1 351.370 2.212 20 0 FEADMM COc1ccc2c(c1)CN(CC(=O)NCC(=O)[O-])[C@H](C1CCCCC1)C2 ZINC000512264886 561897886 /nfs/dbraw/zinc/89/78/86/561897886.db2.gz NSUAHBXZOJEQMC-SFHVURJKSA-N -1 1 360.454 2.203 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)sc1C(=O)[O-] ZINC000364117686 555252707 /nfs/dbraw/zinc/25/27/07/555252707.db2.gz AYHRZZHMRRUZMH-NSHDSACASA-N -1 1 358.485 2.050 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)sc1C(=O)[O-] ZINC000364117686 555252708 /nfs/dbraw/zinc/25/27/08/555252708.db2.gz AYHRZZHMRRUZMH-NSHDSACASA-N -1 1 358.485 2.050 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)C2CCN(C(=O)C(C)C)CC2)c1Br ZINC000616013272 555263377 /nfs/dbraw/zinc/26/33/77/555263377.db2.gz UABLQODVJJQSRF-UHFFFAOYSA-N -1 1 357.252 2.314 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1Br ZINC000616013232 555263535 /nfs/dbraw/zinc/26/35/35/555263535.db2.gz SQVHZUQNHSDFIO-SNVBAGLBSA-N -1 1 363.215 2.472 20 0 FEADMM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4nc(S(C)(=O)=O)n[n-]4)cc3c2C1 ZINC000512618622 561910378 /nfs/dbraw/zinc/91/03/78/561910378.db2.gz KJKAOSJNZONMQM-VIFPVBQESA-N -1 1 373.438 2.067 20 0 FEADMM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4nnc(S(C)(=O)=O)[n-]4)cc3c2C1 ZINC000512618622 561910380 /nfs/dbraw/zinc/91/03/80/561910380.db2.gz KJKAOSJNZONMQM-VIFPVBQESA-N -1 1 373.438 2.067 20 0 FEADMM Cc1nccc(-c2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000364739862 555390651 /nfs/dbraw/zinc/39/06/51/555390651.db2.gz PGIFPVAFJSMNQY-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000364801634 555407103 /nfs/dbraw/zinc/40/71/03/555407103.db2.gz DJLMJFMDNLDBBT-GLQYFDAESA-N -1 1 363.439 2.133 20 0 FEADMM Cc1c(Br)cccc1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000365048391 555473243 /nfs/dbraw/zinc/47/32/43/555473243.db2.gz UJULYPGAEHRYKE-GFCCVEGCSA-N -1 1 364.247 2.219 20 0 FEADMM CN1C(=O)C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@@H]1c1cccs1 ZINC000365400041 555565335 /nfs/dbraw/zinc/56/53/35/555565335.db2.gz YQQLSNLPYLWECV-IMTBSYHQSA-N -1 1 359.333 2.043 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)cnc2n1 ZINC000365597666 555618676 /nfs/dbraw/zinc/61/86/76/555618676.db2.gz QGOJTVHXYWKWRI-XEKQOVJPSA-N -1 1 357.410 2.052 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)O[C@]3(CCO[C@@H]3C)C1)c2=O ZINC000365597666 555618677 /nfs/dbraw/zinc/61/86/77/555618677.db2.gz QGOJTVHXYWKWRI-XEKQOVJPSA-N -1 1 357.410 2.052 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000513434150 561938089 /nfs/dbraw/zinc/93/80/89/561938089.db2.gz LCXWHKDGULFMPN-QWRGUYRKSA-N -1 1 362.398 2.262 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1OC(F)F ZINC000513432971 561938118 /nfs/dbraw/zinc/93/81/18/561938118.db2.gz VGZMPVNDPZSPAY-UHFFFAOYSA-N -1 1 360.338 2.434 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ocnc1C1CC1 ZINC000365892188 555694282 /nfs/dbraw/zinc/69/42/82/555694282.db2.gz UYRXWHIUYRYKMO-LBPRGKRZSA-N -1 1 362.752 2.377 20 0 FEADMM C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1csc(=O)[nH]1 ZINC000366202762 555780431 /nfs/dbraw/zinc/78/04/31/555780431.db2.gz LOWWSXYTODOVTN-BBRMVZONSA-N -1 1 361.467 2.210 20 0 FEADMM C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1csc(=O)[nH]1 ZINC000366202766 555780543 /nfs/dbraw/zinc/78/05/43/555780543.db2.gz LOWWSXYTODOVTN-CZUORRHYSA-N -1 1 361.467 2.210 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nc(C(C)C)c(C)s2)c1 ZINC000513791201 561949892 /nfs/dbraw/zinc/94/98/92/561949892.db2.gz KZFXMWKAFWJWNS-UHFFFAOYSA-N -1 1 358.441 2.433 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)c1cn(C(C)C)cn1)(C(=O)OC)c1ccccc1 ZINC000513790918 561949910 /nfs/dbraw/zinc/94/99/10/561949910.db2.gz GJVYTDTUMYYARU-KRWDZBQOSA-N -1 1 365.455 2.221 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000513846458 561952255 /nfs/dbraw/zinc/95/22/55/561952255.db2.gz OUCRWAHJZRIGPM-JTQLQIEISA-N -1 1 373.814 2.465 20 0 FEADMM COCCO[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000513862722 561952654 /nfs/dbraw/zinc/95/26/54/561952654.db2.gz YTUNJCNCNILSPE-GFCCVEGCSA-N -1 1 358.232 2.422 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000366426394 555840258 /nfs/dbraw/zinc/84/02/58/555840258.db2.gz FZYOYBAEWLNTMX-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM Cc1nc(-c2ccc(N3C[C@H](C)O[C@@]4(CCOC4)C3)nc2)[n-]c(=O)c1C ZINC000366546519 555873046 /nfs/dbraw/zinc/87/30/46/555873046.db2.gz VPVBMUYBGZSJGS-BUXKBTBVSA-N -1 1 356.426 2.245 20 0 FEADMM O=C(COc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366656954 555900885 /nfs/dbraw/zinc/90/08/85/555900885.db2.gz RCEUMSUVTNXGHT-SNVBAGLBSA-N -1 1 355.320 2.004 20 0 FEADMM CC(C)(C)S(=O)(=O)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000367308005 556014414 /nfs/dbraw/zinc/01/44/14/556014414.db2.gz BDVLUDHVEGMFPC-UHFFFAOYSA-N -1 1 367.467 2.027 20 0 FEADMM Cn1cc([C@@H]2[C@@H](CN=c3nc(C(F)(F)F)[n-]s3)CCCN2C)cn1 ZINC000367729638 556124805 /nfs/dbraw/zinc/12/48/05/556124805.db2.gz QESNVXFKGNSMOP-KOLCDFICSA-N -1 1 360.409 2.207 20 0 FEADMM Cc1cc(N2CCC(N=c3[n-]c(C(F)(F)F)ns3)CC2)nc(C)n1 ZINC000367843623 556152150 /nfs/dbraw/zinc/15/21/50/556152150.db2.gz RWVUPFQLEUSVDK-UHFFFAOYSA-N -1 1 358.393 2.467 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC2(C1)CCCOC2 ZINC000367939016 556177600 /nfs/dbraw/zinc/17/76/00/556177600.db2.gz QLGOYBHCBJTVCB-UHFFFAOYSA-N -1 1 373.190 2.249 20 0 FEADMM COc1ccccc1N1CC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1=O ZINC000368035467 556200314 /nfs/dbraw/zinc/20/03/14/556200314.db2.gz GDDRCLAKNGQAGY-LLVKDONJSA-N -1 1 362.332 2.214 20 0 FEADMM Cc1oc(CN(C)C[C@H](O)COCc2ccccc2F)cc1C(=O)[O-] ZINC000515306154 562004410 /nfs/dbraw/zinc/00/44/10/562004410.db2.gz WTQVXYVRUIXORJ-AWEZNQCLSA-N -1 1 351.374 2.435 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)ccc1F ZINC000368502477 556328701 /nfs/dbraw/zinc/32/87/01/556328701.db2.gz MPRDCHRYPOLTKR-CQSZACIVSA-N -1 1 367.354 2.141 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)c3cc(N(C)C)ccn3)[n-][nH]2)cc1OC ZINC000624032037 556526037 /nfs/dbraw/zinc/52/60/37/556526037.db2.gz GNLVGXDPQDOABY-UHFFFAOYSA-N -1 1 368.397 2.202 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc2ccccc2c1 ZINC000516604267 562050150 /nfs/dbraw/zinc/05/01/50/562050150.db2.gz RAIBQZRJSSQGGT-MRXNPFEDSA-N -1 1 365.451 2.398 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC2(CCOC2=O)CC1 ZINC000370084473 556777089 /nfs/dbraw/zinc/77/70/89/556777089.db2.gz ZZDSSUSWWRZEAJ-UHFFFAOYSA-N -1 1 354.200 2.324 20 0 FEADMM O=C(C=Cc1cccc(-c2ccccc2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370862943 556994332 /nfs/dbraw/zinc/99/43/32/556994332.db2.gz SQKWRWQAMAGSTR-QZEKMECESA-N -1 1 361.405 2.480 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)co1 ZINC000371052351 557059209 /nfs/dbraw/zinc/05/92/09/557059209.db2.gz CDVPVFFFTAMILT-CABCVRRESA-N -1 1 366.414 2.393 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000371068435 557065149 /nfs/dbraw/zinc/06/51/49/557065149.db2.gz GVUUYMQIZFKORV-ZMYBRWDISA-N -1 1 372.469 2.304 20 0 FEADMM CN(C[C@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1)S(C)(=O)=O ZINC000517759433 562097564 /nfs/dbraw/zinc/09/75/64/562097564.db2.gz WTTVZEVBFRYYHT-GFCCVEGCSA-N -1 1 374.890 2.142 20 0 FEADMM CCc1nccc([C@H]2CCCN(CC(=O)[N-]OCc3ccccc3)C2)n1 ZINC000371386942 557170199 /nfs/dbraw/zinc/17/01/99/557170199.db2.gz GEKZDTDGGIXGPQ-KRWDZBQOSA-N -1 1 354.454 2.466 20 0 FEADMM Cc1cccc(C(=O)NCCNC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000518059371 562103525 /nfs/dbraw/zinc/10/35/25/562103525.db2.gz LVRRZIJUKSHXBC-UHFFFAOYSA-N -1 1 364.405 2.112 20 0 FEADMM Cc1cccc(C(=O)NCCNC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000518059371 562103526 /nfs/dbraw/zinc/10/35/26/562103526.db2.gz LVRRZIJUKSHXBC-UHFFFAOYSA-N -1 1 364.405 2.112 20 0 FEADMM COCc1ccccc1CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)C2=O ZINC000517778241 562097941 /nfs/dbraw/zinc/09/79/41/562097941.db2.gz SIBFGOPDSDOICU-UHFFFAOYSA-N -1 1 374.418 2.001 20 0 FEADMM CC(C)=CCSc1ccccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000371740458 557279593 /nfs/dbraw/zinc/27/95/93/557279593.db2.gz DRWDXLWDNRSAQE-AWEZNQCLSA-N -1 1 359.455 2.472 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1n[nH]cc1Br ZINC000518852315 562119745 /nfs/dbraw/zinc/11/97/45/562119745.db2.gz WCYOEKPAMIQRFK-UHFFFAOYSA-N -1 1 352.160 2.392 20 0 FEADMM O=c1[n-]nc(C2CCN(c3nn4cc(-c5cccnc5)nc4s3)CC2)o1 ZINC000518850735 562119759 /nfs/dbraw/zinc/11/97/59/562119759.db2.gz WBGFXJQSLLYAJD-UHFFFAOYSA-N -1 1 369.410 2.325 20 0 FEADMM COc1cc(NC(=O)NCCCOCC(C)C)ccc1[N-]S(C)(=O)=O ZINC000518911468 562120961 /nfs/dbraw/zinc/12/09/61/562120961.db2.gz RUZADTDATYINSH-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372278767 557428082 /nfs/dbraw/zinc/42/80/82/557428082.db2.gz UFNCVAXXXQTFJW-QWRGUYRKSA-N -1 1 369.347 2.392 20 0 FEADMM COC(=O)c1cn(-c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2)nn1 ZINC000519034578 562123741 /nfs/dbraw/zinc/12/37/41/562123741.db2.gz YBSMZULRUXDVDY-UHFFFAOYSA-N -1 1 374.303 2.290 20 0 FEADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc1 ZINC000519119631 562125405 /nfs/dbraw/zinc/12/54/05/562125405.db2.gz CWRAFCGAANBGBS-UHFFFAOYSA-N -1 1 372.406 2.085 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)[nH]n2)c(C)c1 ZINC000372408015 557463389 /nfs/dbraw/zinc/46/33/89/557463389.db2.gz FATOUOYQQQGREE-CYBMUJFWSA-N -1 1 351.414 2.226 20 0 FEADMM CCn1nc(NS(=O)(=O)Cc2ccccc2CC(=O)[O-])cc1C1CC1 ZINC000519491239 562132769 /nfs/dbraw/zinc/13/27/69/562132769.db2.gz JFUHZJXOFMPGDW-UHFFFAOYSA-N -1 1 363.439 2.349 20 0 FEADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cn1 ZINC000519526993 562133520 /nfs/dbraw/zinc/13/35/20/562133520.db2.gz HVVNOEIURYMFOU-WDEREUQCSA-N -1 1 358.789 2.306 20 0 FEADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cn1 ZINC000519526993 562133521 /nfs/dbraw/zinc/13/35/21/562133521.db2.gz HVVNOEIURYMFOU-WDEREUQCSA-N -1 1 358.789 2.306 20 0 FEADMM Cc1ccc(Br)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000372944186 557593877 /nfs/dbraw/zinc/59/38/77/557593877.db2.gz IYKYNHLEGBLYBK-SNVBAGLBSA-N -1 1 350.220 2.290 20 0 FEADMM CN(C)C(=O)COc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000519726718 562141516 /nfs/dbraw/zinc/14/15/16/562141516.db2.gz ROGOXSKVMOUGLF-UHFFFAOYSA-N -1 1 364.348 2.067 20 0 FEADMM COC(=O)c1[n-]c(=N[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)sc1C ZINC000372958168 557597326 /nfs/dbraw/zinc/59/73/26/557597326.db2.gz SVNAFAOZNIEHOO-IINYFYTJSA-N -1 1 365.480 3.074 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)C(C)(C)C)CC2)n1 ZINC000373105331 557629811 /nfs/dbraw/zinc/62/98/11/557629811.db2.gz WXOSXHZVYDZTOQ-NSHDSACASA-N -1 1 351.451 2.305 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000519855088 562146666 /nfs/dbraw/zinc/14/66/66/562146666.db2.gz NFEPFQLXSRSGNO-UHFFFAOYSA-N -1 1 365.455 2.304 20 0 FEADMM COc1cc(NC(=O)CCc2cscn2)ccc1[N-]S(C)(=O)=O ZINC000519980456 562148345 /nfs/dbraw/zinc/14/83/45/562148345.db2.gz GGMIKTSVGUNSFR-UHFFFAOYSA-N -1 1 355.441 2.095 20 0 FEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000520018114 562148535 /nfs/dbraw/zinc/14/85/35/562148535.db2.gz LLIFLMIFKJVIRS-UHFFFAOYSA-N -1 1 373.434 2.355 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCc2c1cnn2CCO)c1c(F)cccc1Cl ZINC000373331769 557674238 /nfs/dbraw/zinc/67/42/38/557674238.db2.gz DIIGTAIKJHJBCX-CYBMUJFWSA-N -1 1 373.837 2.024 20 0 FEADMM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000373344001 557676384 /nfs/dbraw/zinc/67/63/84/557676384.db2.gz GRUSETRTNIMXJR-NSHDSACASA-N -1 1 357.443 2.865 20 0 FEADMM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)cc1 ZINC000520294239 562152888 /nfs/dbraw/zinc/15/28/88/562152888.db2.gz YUDMNULLGNIWDU-MURWCNHISA-N -1 1 357.801 2.198 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c1C ZINC000520874031 562165448 /nfs/dbraw/zinc/16/54/48/562165448.db2.gz YSRQEQCOHZPQOU-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(=O)[n-]1 ZINC000374173184 557836889 /nfs/dbraw/zinc/83/68/89/557836889.db2.gz JYLRALCNQMYVKW-BPLDGKMQSA-N -1 1 365.499 2.465 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)o1 ZINC000374306395 557862589 /nfs/dbraw/zinc/86/25/89/557862589.db2.gz PLXPFOORGFWBKT-KRWDZBQOSA-N -1 1 366.414 2.207 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000374454095 557886028 /nfs/dbraw/zinc/88/60/28/557886028.db2.gz GLGZMLVBRVGRPY-ZDUSSCGKSA-N -1 1 361.423 2.132 20 0 FEADMM CCC(CC)[C@@H](O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000374561410 557899995 /nfs/dbraw/zinc/89/99/95/557899995.db2.gz GYWPBTITHNBAQL-INIZCTEOSA-N -1 1 358.442 2.008 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)s1 ZINC000521233536 562172675 /nfs/dbraw/zinc/17/26/75/562172675.db2.gz KQFWGYBZVOCVHW-UHFFFAOYSA-N -1 1 363.424 2.292 20 0 FEADMM CCCCOc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(Cl)c1 ZINC000375232429 557995873 /nfs/dbraw/zinc/99/58/73/557995873.db2.gz BFDITZBVOHLTKG-AWEZNQCLSA-N -1 1 365.821 2.246 20 0 FEADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000521559805 562178734 /nfs/dbraw/zinc/17/87/34/562178734.db2.gz KNXLBNNXYAUHDS-UHFFFAOYSA-N -1 1 373.438 2.388 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCCc3sc(C)nc32)c1 ZINC000376130339 558130787 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364.352 2.310 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@@]12CCOC2 ZINC000422077174 559563975 /nfs/dbraw/zinc/56/39/75/559563975.db2.gz AXYKGQPATHOQKW-IBGZPJMESA-N -1 1 372.446 2.492 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@]12CCOC2 ZINC000422089293 559564601 /nfs/dbraw/zinc/56/46/01/559564601.db2.gz MUXNHNBTHFXSAF-LJQANCHMSA-N -1 1 372.446 2.492 20 0 FEADMM CCC(CC)(CNC(=O)NC1CCN(Cc2ccncc2)CC1)C(=O)[O-] ZINC000424395070 559662970 /nfs/dbraw/zinc/66/29/70/559662970.db2.gz OEVBZTVDATXXNR-UHFFFAOYSA-N -1 1 362.474 2.236 20 0 FEADMM O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425303796 559695648 /nfs/dbraw/zinc/69/56/48/559695648.db2.gz PCFAZLFBFQPXMF-HNNXBMFYSA-N -1 1 353.382 2.040 20 0 FEADMM CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1 ZINC000425305736 559695905 /nfs/dbraw/zinc/69/59/05/559695905.db2.gz RRYGAWIMKGJINQ-ZVLZOBCMSA-N -1 1 351.447 2.449 20 0 FEADMM O=C(c1cc(Cc2ccccc2)n[nH]1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425313032 559696289 /nfs/dbraw/zinc/69/62/89/559696289.db2.gz ZXKHQOHARNGLSY-ZDUSSCGKSA-N -1 1 353.382 2.109 20 0 FEADMM COc1cc2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)[nH]c2cc1OC ZINC000425318118 559696432 /nfs/dbraw/zinc/69/64/32/559696432.db2.gz HSLOJJCQDOTTMJ-UHFFFAOYSA-N -1 1 372.381 2.294 20 0 FEADMM O=C(Cc1cc(Cl)cc2c1OCC2)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317392 559696462 /nfs/dbraw/zinc/69/64/62/559696462.db2.gz FVZVQMKXKTUEJO-UHFFFAOYSA-N -1 1 363.801 2.312 20 0 FEADMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)nn1-c1cccc(F)c1 ZINC000425323544 559696603 /nfs/dbraw/zinc/69/66/03/559696603.db2.gz PCYARVIFCLDJQB-UHFFFAOYSA-N -1 1 371.372 2.428 20 0 FEADMM O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425321433 559696699 /nfs/dbraw/zinc/69/66/99/559696699.db2.gz MHDKKYKWNLMJQS-UHFFFAOYSA-N -1 1 374.788 2.029 20 0 FEADMM Cn1cc(-c2ccc(F)c(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)c2)cn1 ZINC000425325796 559696844 /nfs/dbraw/zinc/69/68/44/559696844.db2.gz TYEACYVMSMNURD-UHFFFAOYSA-N -1 1 371.372 2.335 20 0 FEADMM COc1ccccc1N1CC[C@H](NC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000426783047 559742019 /nfs/dbraw/zinc/74/20/19/559742019.db2.gz ILMOFEBWXYQCEN-ZDUSSCGKSA-N -1 1 358.467 2.735 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)CNC(=O)c1ncccc1[O-] ZINC000426956744 559744753 /nfs/dbraw/zinc/74/47/53/559744753.db2.gz PPZNPSHQSYQTAS-IJEWVQPXSA-N -1 1 353.422 2.310 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000427913009 559765092 /nfs/dbraw/zinc/76/50/92/559765092.db2.gz NCUOAQACBYXREP-HYXAFXHYSA-N -1 1 364.398 2.481 20 0 FEADMM COC(=O)c1[n-]c(=NCc2ccc(OC)c(OC)c2OC)sc1C ZINC000427986127 559767122 /nfs/dbraw/zinc/76/71/22/559767122.db2.gz YEYYQHIYZZHOJV-UHFFFAOYSA-N -1 1 352.412 2.876 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H]1CCO ZINC000428786527 559783384 /nfs/dbraw/zinc/78/33/84/559783384.db2.gz NVVYKZPNUONGLR-YOEHRIQHSA-N -1 1 370.453 2.153 20 0 FEADMM COC(=O)c1[n-]c(=NCc2ccc(-n3nc(C)cc3C)nc2)sc1C ZINC000429192864 559792642 /nfs/dbraw/zinc/79/26/42/559792642.db2.gz JDNYJVDRIYAGCE-UHFFFAOYSA-N -1 1 357.439 3.048 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000429879051 559807728 /nfs/dbraw/zinc/80/77/28/559807728.db2.gz WNFQHKNXVVJMEM-UHFFFAOYSA-N -1 1 367.276 2.101 20 0 FEADMM O=C(N=c1cc[nH][nH]1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430662608 559825955 /nfs/dbraw/zinc/82/59/55/559825955.db2.gz KEKXXGZBAPZZDW-UHFFFAOYSA-N -1 1 367.590 2.919 20 0 FEADMM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000431619832 559842744 /nfs/dbraw/zinc/84/27/44/559842744.db2.gz JAGKPDHBIBQUSR-JTQLQIEISA-N -1 1 350.843 2.310 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C1Cc2ccccc2C1 ZINC000432145275 559852897 /nfs/dbraw/zinc/85/28/97/559852897.db2.gz QRTGKCRDCOGIFH-UHFFFAOYSA-N -1 1 372.446 2.186 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1C ZINC000432200556 559853946 /nfs/dbraw/zinc/85/39/46/559853946.db2.gz ABGAYGBVHFSYKN-UHFFFAOYSA-N -1 1 372.402 2.424 20 0 FEADMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(C)C ZINC000432297805 559855692 /nfs/dbraw/zinc/85/56/92/559855692.db2.gz TTXXDKVKGANQQN-VIFPVBQESA-N -1 1 359.300 2.494 20 0 FEADMM COc1cc(Br)c(CN=c2[n-]c(C(N)=O)cs2)cc1OC ZINC000432313396 559856154 /nfs/dbraw/zinc/85/61/54/559856154.db2.gz KMKIJHQLBGBDGE-UHFFFAOYSA-N -1 1 372.244 2.634 20 0 FEADMM COc1cc(NC(=O)[C@H]2CCC[C@@H](OC)C2)ccc1[N-]S(C)(=O)=O ZINC000432391150 559857882 /nfs/dbraw/zinc/85/78/82/559857882.db2.gz IGYSTLXQYPHLDS-WCQYABFASA-N -1 1 356.444 2.210 20 0 FEADMM COc1cc(NC(=O)[C@H]2CCC[C@H](OC)C2)ccc1[N-]S(C)(=O)=O ZINC000432391148 559857887 /nfs/dbraw/zinc/85/78/87/559857887.db2.gz IGYSTLXQYPHLDS-AAEUAGOBSA-N -1 1 356.444 2.210 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(O)cc2OC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000432453874 559859131 /nfs/dbraw/zinc/85/91/31/559859131.db2.gz KSCBIDJTMFATDO-UHFFFAOYSA-N -1 1 370.365 2.490 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c1 ZINC000432640381 559862415 /nfs/dbraw/zinc/86/24/15/559862415.db2.gz FKNDSSOZDLEHFN-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)NCCOc2cccc(C)c2)[n-]1 ZINC000432674544 559862946 /nfs/dbraw/zinc/86/29/46/559862946.db2.gz BNMKDEBBYMKALP-GFCCVEGCSA-N -1 1 363.439 2.181 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)NCCOc2cccc(C)c2)n1 ZINC000432674544 559862947 /nfs/dbraw/zinc/86/29/47/559862947.db2.gz BNMKDEBBYMKALP-GFCCVEGCSA-N -1 1 363.439 2.181 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1 ZINC000435138372 559916896 /nfs/dbraw/zinc/91/68/96/559916896.db2.gz JKSFOEJRACIHEN-AWEZNQCLSA-N -1 1 373.434 2.049 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 ZINC000435448442 559923330 /nfs/dbraw/zinc/92/33/30/559923330.db2.gz WBPHDBPQVQZUSV-SNVBAGLBSA-N -1 1 356.202 2.362 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000436148798 559936099 /nfs/dbraw/zinc/93/60/99/559936099.db2.gz GYIVVBHLIGPMPV-UHFFFAOYSA-N -1 1 363.391 2.052 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C2N=NC(=O)O2)cc1F ZINC000436479072 559942740 /nfs/dbraw/zinc/94/27/40/559942740.db2.gz SHNHWWJUEXODAF-UHFFFAOYSA-N -1 1 365.342 2.391 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2nnn(-c3ccccc3)c2C)c1 ZINC000436504940 559943456 /nfs/dbraw/zinc/94/34/56/559943456.db2.gz MLWCULBREJYUJB-UHFFFAOYSA-N -1 1 352.350 2.320 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)c1 ZINC000436507954 559943648 /nfs/dbraw/zinc/94/36/48/559943648.db2.gz YCAMITVTCOZUGK-AWEZNQCLSA-N -1 1 371.393 2.225 20 0 FEADMM O=C(N[C@@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436511843 559943852 /nfs/dbraw/zinc/94/38/52/559943852.db2.gz JNLMRISRRQLDFA-RHSMWYFYSA-N -1 1 354.406 2.055 20 0 FEADMM CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436562255 559945377 /nfs/dbraw/zinc/94/53/77/559945377.db2.gz DXYMTQDBQXHTRV-UHFFFAOYSA-N -1 1 354.815 2.347 20 0 FEADMM Cc1noc([C@@H](C)NC(=O)c2cc(I)ccc2[O-])n1 ZINC000436622678 559946911 /nfs/dbraw/zinc/94/69/11/559946911.db2.gz DZDGAMOQFVCFGD-ZCFIWIBFSA-N -1 1 373.150 2.179 20 0 FEADMM O=C(NCc1ccnc(OCC(F)(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436663064 559948119 /nfs/dbraw/zinc/94/81/19/559948119.db2.gz KKOYYBUGZGWLTD-UHFFFAOYSA-N -1 1 354.284 2.227 20 0 FEADMM CS(=O)(=O)c1cccnc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436734070 559950385 /nfs/dbraw/zinc/95/03/85/559950385.db2.gz ZAXYXUMPKRGDPA-UHFFFAOYSA-N -1 1 356.403 2.274 20 0 FEADMM O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)C(=O)c1ccc([O-])cc1 ZINC000436742995 559950603 /nfs/dbraw/zinc/95/06/03/559950603.db2.gz GHHCMDXRMYFVBZ-UHFFFAOYSA-N -1 1 357.341 2.272 20 0 FEADMM O=C(NC[C@@H](CO)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000436742824 559950612 /nfs/dbraw/zinc/95/06/12/559950612.db2.gz WYKLOTNNZWWMBR-NSHDSACASA-N -1 1 351.200 2.056 20 0 FEADMM CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436748497 559950810 /nfs/dbraw/zinc/95/08/10/559950810.db2.gz FXAUHHMECGIGBL-GFCCVEGCSA-N -1 1 372.462 2.054 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(OCCn3cncn3)c2)c([O-])c1 ZINC000436793255 559952159 /nfs/dbraw/zinc/95/21/59/559952159.db2.gz QTAUVGDEKRYRLX-UHFFFAOYSA-N -1 1 354.366 2.324 20 0 FEADMM CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000436879036 559955084 /nfs/dbraw/zinc/95/50/84/559955084.db2.gz HOWTYPSQRBXUBK-UHFFFAOYSA-N -1 1 365.363 2.108 20 0 FEADMM COc1cc(NC(=O)c2ccc(O)c(C)c2)ccc1[N-]S(C)(=O)=O ZINC000436923464 559956600 /nfs/dbraw/zinc/95/66/00/559956600.db2.gz SWYFKAPHKZIQGU-UHFFFAOYSA-N -1 1 350.396 2.333 20 0 FEADMM Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)c(N2CCOCC2)c1 ZINC000436941465 559957131 /nfs/dbraw/zinc/95/71/31/559957131.db2.gz CZOVHLUTQXWJEA-UHFFFAOYSA-N -1 1 354.406 2.036 20 0 FEADMM CCO[C@H]1C[C@](O)(CNC(=O)c2ccc(Br)cc2[O-])C1(C)C ZINC000436993398 559958934 /nfs/dbraw/zinc/95/89/34/559958934.db2.gz BRMLCNLDYFCZHT-BBRMVZONSA-N -1 1 372.259 2.451 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)c1C ZINC000438250382 559976216 /nfs/dbraw/zinc/97/62/16/559976216.db2.gz FVCPITBVVWOIOZ-UHFFFAOYSA-N -1 1 363.439 2.286 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)c1C ZINC000438249322 559976234 /nfs/dbraw/zinc/97/62/34/559976234.db2.gz CKRKUAMUUPSKCJ-UHFFFAOYSA-N -1 1 351.428 2.485 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c(C)c1 ZINC000438766774 559983379 /nfs/dbraw/zinc/98/33/79/559983379.db2.gz SVNKUMZIJJINSU-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM CCOCCN1CCN(C(=O)N=c2[n-]nc(SCC)s2)C[C@H]1CC ZINC000439233110 559990485 /nfs/dbraw/zinc/99/04/85/559990485.db2.gz CZWYKIXWHWMLSC-GFCCVEGCSA-N -1 1 373.548 2.615 20 0 FEADMM C[C@@](O)(CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000440213526 560006836 /nfs/dbraw/zinc/00/68/36/560006836.db2.gz IIKKFNLWTUMVOO-LJQANCHMSA-N -1 1 374.462 2.378 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc2n[nH]cc21 ZINC000442243798 560046496 /nfs/dbraw/zinc/04/64/96/560046496.db2.gz QZBYNCCHUSLCLT-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM COc1cc(NC(=O)c2cn3ccnc3s2)ccc1[N-]S(C)(=O)=O ZINC000442851710 560059924 /nfs/dbraw/zinc/05/99/24/560059924.db2.gz GDRLVPMIJKBDEG-UHFFFAOYSA-N -1 1 366.424 2.028 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc(Cl)c1[O-] ZINC000443057903 560068367 /nfs/dbraw/zinc/06/83/67/560068367.db2.gz LMJJVRLJYABRHA-DGCLKSJQSA-N -1 1 352.818 2.185 20 0 FEADMM CCOC(=O)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CCCOC1 ZINC000443111996 560071038 /nfs/dbraw/zinc/07/10/38/560071038.db2.gz RJFVLFKVGZKCDB-HZMBPMFUSA-N -1 1 371.817 2.142 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)o1 ZINC000443221444 560075081 /nfs/dbraw/zinc/07/50/81/560075081.db2.gz YCBUSAUHIOZSTG-LBPRGKRZSA-N -1 1 351.380 2.128 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)C3(N4CCOCC4)CCC3)[nH][n-]2)c1 ZINC000444788540 560120948 /nfs/dbraw/zinc/12/09/48/560120948.db2.gz WLBRZGAYLKMKBM-UHFFFAOYSA-N -1 1 358.417 2.718 20 0 FEADMM CCOC(C)(C)CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000444861143 560122943 /nfs/dbraw/zinc/12/29/43/560122943.db2.gz PILMPWZHSBBONG-UHFFFAOYSA-N -1 1 359.448 2.003 20 0 FEADMM COc1ccc(CNC(=O)Cc2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000445409250 560132094 /nfs/dbraw/zinc/13/20/94/560132094.db2.gz BMLXERQVLRWTTB-UHFFFAOYSA-N -1 1 357.341 2.449 20 0 FEADMM O=C1N[C@@H](C2CC2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445889304 560136323 /nfs/dbraw/zinc/13/63/23/560136323.db2.gz YTWIMTDMMHYUBU-INIZCTEOSA-N -1 1 371.418 2.322 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)Cc2ccccc2C)o1 ZINC000446374468 560145153 /nfs/dbraw/zinc/14/51/53/560145153.db2.gz KNNRGYRVOWGZCN-CYBMUJFWSA-N -1 1 350.440 2.199 20 0 FEADMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1C ZINC000447272091 560159169 /nfs/dbraw/zinc/15/91/69/560159169.db2.gz VFCYPNMADPPORH-UHFFFAOYSA-N -1 1 373.438 2.303 20 0 FEADMM Cc1cnc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)cn1 ZINC000447482997 560163087 /nfs/dbraw/zinc/16/30/87/560163087.db2.gz OOVJESOWKOWBDB-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM CCCCOCCS(=O)(=O)c1nnc(-c2ccc(OC)cc2OC)[n-]1 ZINC000447500101 560163363 /nfs/dbraw/zinc/16/33/63/560163363.db2.gz JEKILJKSLSYKQN-UHFFFAOYSA-N -1 1 369.443 2.079 20 0 FEADMM CCCCOCCS(=O)(=O)c1n[n-]c(-c2ccc(OC)cc2OC)n1 ZINC000447500101 560163364 /nfs/dbraw/zinc/16/33/64/560163364.db2.gz JEKILJKSLSYKQN-UHFFFAOYSA-N -1 1 369.443 2.079 20 0 FEADMM CCCCN(CCCC)C(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000447500444 560163475 /nfs/dbraw/zinc/16/34/75/560163475.db2.gz PNOICPXOAFLTLE-UHFFFAOYSA-N -1 1 358.508 2.305 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H](C)SC)c2)n1 ZINC000447683318 560166892 /nfs/dbraw/zinc/16/68/92/560166892.db2.gz OZKVFJFQIXBQJM-NSHDSACASA-N -1 1 362.455 2.406 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2cc(F)cc3nccnc32)c1Br ZINC000448320857 560184266 /nfs/dbraw/zinc/18/42/66/560184266.db2.gz WUWAXZVXWZTLRL-UHFFFAOYSA-N -1 1 364.178 3.069 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)c3cc(C)n(C(C)C)n3)[n-][nH]2)c(OC)c1 ZINC000448845003 560202414 /nfs/dbraw/zinc/20/24/14/560202414.db2.gz CXEDOXZFWCDADA-UHFFFAOYSA-N -1 1 370.413 2.827 20 0 FEADMM CC[C@H](O)CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448873655 560204220 /nfs/dbraw/zinc/20/42/20/560204220.db2.gz YVAFCWKKODEUGP-HNNXBMFYSA-N -1 1 362.451 2.265 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@H]2Cc3c(cccc3C)O2)c1Br ZINC000450015953 560248124 /nfs/dbraw/zinc/24/81/24/560248124.db2.gz HGKOGSINYQTWCT-GFCCVEGCSA-N -1 1 350.216 2.985 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1CCn2cncc2C1 ZINC000450691693 560270288 /nfs/dbraw/zinc/27/02/88/560270288.db2.gz ACPYURBPMPFCFP-SNVBAGLBSA-N -1 1 358.789 2.228 20 0 FEADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2sccc2Cl)C[C@@H](C)O1 ZINC000451011612 560282282 /nfs/dbraw/zinc/28/22/82/560282282.db2.gz DJAXEUORLDMGCZ-GHMZBOCLSA-N -1 1 352.909 2.179 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1 ZINC000451114605 560287863 /nfs/dbraw/zinc/28/78/63/560287863.db2.gz LJVWYAUMJYYBLD-UHFFFAOYSA-N -1 1 350.444 2.385 20 0 FEADMM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1=O ZINC000451265428 560296972 /nfs/dbraw/zinc/29/69/72/560296972.db2.gz CALRILZPNXOUMQ-GFCCVEGCSA-N -1 1 354.403 2.250 20 0 FEADMM CN1CCC[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1=O ZINC000451272848 560297453 /nfs/dbraw/zinc/29/74/53/560297453.db2.gz HHRDJBKDZURPCH-JTQLQIEISA-N -1 1 358.872 2.454 20 0 FEADMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2sccc2Cl)C1(C)C ZINC000451452365 560307903 /nfs/dbraw/zinc/30/79/03/560307903.db2.gz MDSDNQUUCCHGTM-GXFFZTMASA-N -1 1 353.893 2.246 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)NCC(F)F ZINC000451490605 560310258 /nfs/dbraw/zinc/31/02/58/560310258.db2.gz GSKSPVSYEALCJI-UHFFFAOYSA-N -1 1 368.814 2.214 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)NCCc1ccccc1 ZINC000451940994 560339628 /nfs/dbraw/zinc/33/96/28/560339628.db2.gz WYSWXFCDDLFIMB-NSHDSACASA-N -1 1 372.899 2.427 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000452036186 560346864 /nfs/dbraw/zinc/34/68/64/560346864.db2.gz PEWJMHKZMRPJPE-UHFFFAOYSA-N -1 1 371.409 2.487 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000452039087 560347200 /nfs/dbraw/zinc/34/72/00/560347200.db2.gz DUOHNIKNSUERMS-UHFFFAOYSA-N -1 1 371.409 2.487 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@](C)(F)C2)ccc1[N-]S(C)(=O)=O ZINC000454761860 560457176 /nfs/dbraw/zinc/45/71/76/560457176.db2.gz BRHBTFXNBLYGLC-HNNXBMFYSA-N -1 1 359.423 2.423 20 0 FEADMM CN(C(=O)N=c1nc2ccccn2[n-]1)C1CCN(CCC(F)(F)F)CC1 ZINC000455096072 560469973 /nfs/dbraw/zinc/46/99/73/560469973.db2.gz HFTPPRXBRZQERO-UHFFFAOYSA-N -1 1 370.379 2.610 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H](C)O ZINC000456185585 560510082 /nfs/dbraw/zinc/51/00/82/560510082.db2.gz HOGOEKDGCCRHOW-GUYCJALGSA-N -1 1 362.451 2.377 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)co1 ZINC000456448729 560520848 /nfs/dbraw/zinc/52/08/48/560520848.db2.gz LKYWZEMOKZTIJG-JTQLQIEISA-N -1 1 374.340 2.022 20 0 FEADMM CO[C@H]1C[C@@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456663496 560527950 /nfs/dbraw/zinc/52/79/50/560527950.db2.gz VVUBTEHNVINKGM-CABCVRRESA-N -1 1 358.442 2.010 20 0 FEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000456788124 560532963 /nfs/dbraw/zinc/53/29/63/560532963.db2.gz QVYVRGNBYXHGKF-NWDGAFQWSA-N -1 1 366.364 2.050 20 0 FEADMM O=C(N[C@H]1CCC[C@H]1CO)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000456799369 560533207 /nfs/dbraw/zinc/53/32/07/560533207.db2.gz LJMYNWFOVJNDEJ-YJBOKZPZSA-N -1 1 374.462 2.378 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCC[C@H](C)F)c2)n1 ZINC000458895434 560654593 /nfs/dbraw/zinc/65/45/93/560654593.db2.gz UDSGKTOPRSWGGQ-NSHDSACASA-N -1 1 363.393 2.196 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c(C)c1O ZINC000460446942 560743703 /nfs/dbraw/zinc/74/37/03/560743703.db2.gz KMCOKTHZGDHPGX-UHFFFAOYSA-N -1 1 359.411 2.000 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000460840602 560753264 /nfs/dbraw/zinc/75/32/64/560753264.db2.gz OKLQFOZXXYQUHQ-UHFFFAOYSA-N -1 1 359.386 2.480 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000461453667 560771927 /nfs/dbraw/zinc/77/19/27/560771927.db2.gz PJISVYYTCQZSOB-UHFFFAOYSA-N -1 1 364.398 2.110 20 0 FEADMM O=C(NCc1cnc[nH]1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000461456243 560772183 /nfs/dbraw/zinc/77/21/83/560772183.db2.gz JLUNGSDRTYKBBB-UHFFFAOYSA-N -1 1 362.436 2.202 20 0 FEADMM CCC[C@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccn1 ZINC000461459220 560772266 /nfs/dbraw/zinc/77/22/66/560772266.db2.gz APESILZJEPRISV-ZDUSSCGKSA-N -1 1 363.439 2.218 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000461456257 560772270 /nfs/dbraw/zinc/77/22/70/560772270.db2.gz JTWOJHQONPNXGL-UHFFFAOYSA-N -1 1 372.349 2.154 20 0 FEADMM Cc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1NC(=O)c1ccccc1 ZINC000461632153 560777954 /nfs/dbraw/zinc/77/79/54/560777954.db2.gz DUBPMUOCISDCCA-UHFFFAOYSA-N -1 1 364.409 2.426 20 0 FEADMM Cc1ccc(O[C@H](C)C(=O)NC(C)(C)c2nn[n-]n2)c(Br)c1 ZINC000461633299 560778072 /nfs/dbraw/zinc/77/80/72/560778072.db2.gz FCVGAIZRTVANLL-SECBINFHSA-N -1 1 368.235 2.089 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)[C@@H](C)COC)c1 ZINC000461798038 560784601 /nfs/dbraw/zinc/78/46/01/560784601.db2.gz SBRJWECMHOQZDT-QWHCGFSZSA-N -1 1 372.487 2.280 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CN1c1ccccc1F ZINC000462285743 560804340 /nfs/dbraw/zinc/80/43/40/560804340.db2.gz AXWJQMRBRXOIFM-LLVKDONJSA-N -1 1 370.352 2.188 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)s1 ZINC000464365539 560839893 /nfs/dbraw/zinc/83/98/93/560839893.db2.gz OKSKBGWLEMCWAF-ZCFIWIBFSA-N -1 1 361.363 2.163 20 0 FEADMM Cc1ccc(NC(=O)c2cnnn2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000467065265 560902788 /nfs/dbraw/zinc/90/27/88/560902788.db2.gz PRGYJXHUKBADLX-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CC(C)(C)c1nc(=NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s[n-]1 ZINC000467361038 560909027 /nfs/dbraw/zinc/90/90/27/560909027.db2.gz YFJWKSZRCYJZFL-NSHDSACASA-N -1 1 357.443 2.287 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cnc2cnccc2c1 ZINC000467519643 560911718 /nfs/dbraw/zinc/91/17/18/560911718.db2.gz BTRSRWFSQIZWPM-UHFFFAOYSA-N -1 1 360.370 2.393 20 0 FEADMM CCC[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1nn[n-]n1 ZINC000467643087 560914188 /nfs/dbraw/zinc/91/41/88/560914188.db2.gz FJIPCUPGAJBEIL-MRXNPFEDSA-N -1 1 352.398 2.445 20 0 FEADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)n1ccc2ccccc2c1=O ZINC000468062550 560921838 /nfs/dbraw/zinc/92/18/38/560921838.db2.gz QGBGVYCHZQAUNO-MRVPVSSYSA-N -1 1 351.288 2.338 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000468546783 560932687 /nfs/dbraw/zinc/93/26/87/560932687.db2.gz FUXTVRMUVAOUEC-OAHLLOKOSA-N -1 1 360.458 2.258 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(C)=O)c1)c1ccsc1 ZINC000469195540 560949576 /nfs/dbraw/zinc/94/95/76/560949576.db2.gz PLLWUTNAAPURJH-AWEZNQCLSA-N -1 1 353.421 2.143 20 0 FEADMM COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)ccc1F ZINC000469898725 560968435 /nfs/dbraw/zinc/96/84/35/560968435.db2.gz PYVAPCTWPLUTBK-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1 ZINC000469989169 560970790 /nfs/dbraw/zinc/97/07/90/560970790.db2.gz FHIBTBGSFUQGSA-UHFFFAOYSA-N -1 1 367.427 2.276 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)nc2C)ccc1C ZINC000469994651 560971127 /nfs/dbraw/zinc/97/11/27/560971127.db2.gz ZWUHTEYDFMUZBN-UHFFFAOYSA-N -1 1 350.396 2.294 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@](C)(OC)C2)ccc1[N-]S(C)(=O)=O ZINC000471272579 561001767 /nfs/dbraw/zinc/00/17/67/561001767.db2.gz KLVLICCRGDVYTP-INIZCTEOSA-N -1 1 371.459 2.100 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC1)c1cc(Cl)c(Br)cc1F ZINC000471571196 561007603 /nfs/dbraw/zinc/00/76/03/561007603.db2.gz RLFPDYPBVCVOGC-ZCFIWIBFSA-N -1 1 358.616 2.309 20 0 FEADMM COc1c(F)cc(F)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000472497127 561027813 /nfs/dbraw/zinc/02/78/13/561027813.db2.gz JETGAOXYPAKMCL-UHFFFAOYSA-N -1 1 362.292 2.284 20 0 FEADMM CC(C)Oc1cc(Br)ccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000473377504 561048931 /nfs/dbraw/zinc/04/89/31/561048931.db2.gz CJZBMRNUYUKWDU-UHFFFAOYSA-N -1 1 366.219 2.169 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1)c1cccs1 ZINC000474121843 561066286 /nfs/dbraw/zinc/06/62/86/561066286.db2.gz ANMFTFVBEAMKRT-OAHLLOKOSA-N -1 1 362.432 2.489 20 0 FEADMM COc1ccc(NC(=O)N(C)CCCOC(C)C)cc1[N-]S(C)(=O)=O ZINC000475391481 561096082 /nfs/dbraw/zinc/09/60/82/561096082.db2.gz QXFAVOSKEIEMEL-UHFFFAOYSA-N -1 1 373.475 2.346 20 0 FEADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(COC)c3)ccc2[nH]1 ZINC000475831993 561106550 /nfs/dbraw/zinc/10/65/50/561106550.db2.gz OTRNJYNRPOPZDE-UHFFFAOYSA-N -1 1 373.434 2.475 20 0 FEADMM COCCOc1cccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000476068393 561110780 /nfs/dbraw/zinc/11/07/80/561110780.db2.gz VGLGLUJWFLMHHI-UHFFFAOYSA-N -1 1 358.320 2.420 20 0 FEADMM CCCSc1nc(=NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)s[n-]1 ZINC000476482813 561120593 /nfs/dbraw/zinc/12/05/93/561120593.db2.gz NMTBLYRLJVDRKY-TXEJJXNPSA-N -1 1 373.548 2.083 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](OC)[C@H](C)CC)c2)n1 ZINC000477122921 561137344 /nfs/dbraw/zinc/13/73/44/561137344.db2.gz CTXBEXMJNPJQQW-DOMZBBRYSA-N -1 1 374.441 2.326 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000477211180 561139387 /nfs/dbraw/zinc/13/93/87/561139387.db2.gz ZOYWMKRXTIDNLV-UHFFFAOYSA-N -1 1 361.379 2.394 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCCCC12OCCO2)c1ccc(F)cc1 ZINC000528352759 562324340 /nfs/dbraw/zinc/32/43/40/562324340.db2.gz TXYBPZLSHIRKPW-HOTGVXAUSA-N -1 1 373.446 2.118 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)N1CCCC1 ZINC000528560386 562336528 /nfs/dbraw/zinc/33/65/28/562336528.db2.gz JUEKPFPAEPCRHU-UHFFFAOYSA-N -1 1 362.854 2.406 20 0 FEADMM O=C1Nc2ccccc2C[C@H]1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000528542235 562335062 /nfs/dbraw/zinc/33/50/62/562335062.db2.gz MLVQYIYQTWVGHO-GXTWGEPZSA-N -1 1 358.410 2.295 20 0 FEADMM O=S(=O)([N-]CC1COC1)c1cc(Cl)c(Br)cc1F ZINC000528564651 562336666 /nfs/dbraw/zinc/33/66/66/562336666.db2.gz MMWXSTMPSXPQMO-UHFFFAOYSA-N -1 1 358.616 2.166 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)N2CCNC[C@@H]2C(C)C)s[n-]1 ZINC000528693209 562342210 /nfs/dbraw/zinc/34/22/10/562342210.db2.gz YNZHIJJRILNCKH-LLVKDONJSA-N -1 1 351.501 2.459 20 0 FEADMM CN(C)C[C@@H](NC(=O)N1CC(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000529228889 562365698 /nfs/dbraw/zinc/36/56/98/562365698.db2.gz QLYCMSIWUFWVDB-CYBMUJFWSA-N -1 1 360.241 2.322 20 0 FEADMM CN(C)C[C@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000530034338 562395590 /nfs/dbraw/zinc/39/55/90/562395590.db2.gz VJOZWBNFXAMEOR-ZDUSSCGKSA-N -1 1 357.241 2.465 20 0 FEADMM O=C([O-])c1ccc(F)c2c1CN(CCc1nnnn1-c1ccccc1)CC2 ZINC000530169588 562400964 /nfs/dbraw/zinc/40/09/64/562400964.db2.gz SAFFNTONTXJVOJ-UHFFFAOYSA-N -1 1 367.384 2.100 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COc2ccccc2O1)c1ccc(Br)o1 ZINC000530531028 562414799 /nfs/dbraw/zinc/41/47/99/562414799.db2.gz SCBRAJSZQCOLFM-SECBINFHSA-N -1 1 374.212 2.160 20 0 FEADMM COCCOc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000530808137 562424685 /nfs/dbraw/zinc/42/46/85/562424685.db2.gz BMLIJRADOGIZNK-UHFFFAOYSA-N -1 1 370.365 2.022 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000531434459 562446098 /nfs/dbraw/zinc/44/60/98/562446098.db2.gz ZQIZFKABHCDMBP-SFHVURJKSA-N -1 1 373.434 2.104 20 0 FEADMM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000532677578 562485413 /nfs/dbraw/zinc/48/54/13/562485413.db2.gz ZDTJUBQZIIQLJZ-QMMMGPOBSA-N -1 1 352.188 2.384 20 0 FEADMM Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000532012328 562463923 /nfs/dbraw/zinc/46/39/23/562463923.db2.gz KFVCPMBIDOBIEY-UHFFFAOYSA-N -1 1 366.414 2.407 20 0 FEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000532648618 562484539 /nfs/dbraw/zinc/48/45/39/562484539.db2.gz IQMWSFDUXXOYQY-UHFFFAOYSA-N -1 1 364.379 2.066 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000532711492 562486423 /nfs/dbraw/zinc/48/64/23/562486423.db2.gz DEPMPOBXWVXPQE-JTQLQIEISA-N -1 1 356.325 2.133 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)sc1C ZINC000533253328 562502790 /nfs/dbraw/zinc/50/27/90/562502790.db2.gz CUBCIUSCAIFAPN-LBPRGKRZSA-N -1 1 362.542 2.483 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)co1 ZINC000534429407 562534020 /nfs/dbraw/zinc/53/40/20/562534020.db2.gz IUWVNFAZSXFKJX-UHFFFAOYSA-N -1 1 374.378 2.022 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000534689291 562540391 /nfs/dbraw/zinc/54/03/91/562540391.db2.gz AHMFLSPIWKJIOJ-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)co1 ZINC000535897549 562570600 /nfs/dbraw/zinc/57/06/00/562570600.db2.gz YLZFDSXDVCWWAU-GXSJLCMTSA-N -1 1 368.377 2.286 20 0 FEADMM CC[C@@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000535973446 562571427 /nfs/dbraw/zinc/57/14/27/562571427.db2.gz DXVSOGNEPWDSPK-IUODEOHRSA-N -1 1 371.459 2.146 20 0 FEADMM CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1S(N)(=O)=O ZINC000537260653 562588985 /nfs/dbraw/zinc/58/89/85/562588985.db2.gz XTLXHNACLABJDN-UHFFFAOYSA-N -1 1 356.350 2.133 20 0 FEADMM O=C([O-])CNC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 ZINC000540703865 562591610 /nfs/dbraw/zinc/59/16/10/562591610.db2.gz LWSKBJMYMSIMHA-UHFFFAOYSA-N -1 1 370.390 2.205 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CN1c1ccc(F)cc1 ZINC000541977531 562624785 /nfs/dbraw/zinc/62/47/85/562624785.db2.gz IMSVWKHTWBZMPV-GFCCVEGCSA-N -1 1 372.780 2.312 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CN1c1ccc(F)cc1 ZINC000541977533 562624900 /nfs/dbraw/zinc/62/49/00/562624900.db2.gz IMSVWKHTWBZMPV-LBPRGKRZSA-N -1 1 372.780 2.312 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCO3)o1 ZINC000542038916 562625880 /nfs/dbraw/zinc/62/58/80/562625880.db2.gz HCDKXTKTOZWOTK-UHFFFAOYSA-N -1 1 366.395 2.337 20 0 FEADMM O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000549728783 562638570 /nfs/dbraw/zinc/63/85/70/562638570.db2.gz QQQVUKXVSKAQSR-HNNXBMFYSA-N -1 1 366.377 2.354 20 0 FEADMM O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000550121680 562643031 /nfs/dbraw/zinc/64/30/31/562643031.db2.gz CHEJDSVZMLFICJ-OAHLLOKOSA-N -1 1 367.409 2.300 20 0 FEADMM O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000550123569 562643050 /nfs/dbraw/zinc/64/30/50/562643050.db2.gz OYKNMKJHKVWLQV-LLVKDONJSA-N -1 1 357.345 2.324 20 0 FEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)c1 ZINC000601961179 567887389 /nfs/dbraw/zinc/88/73/89/567887389.db2.gz AVTAYMGAWLWJOW-UHFFFAOYSA-N -1 1 367.402 2.025 20 0 FEADMM CCOc1ncc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1Cl ZINC000602324231 567967553 /nfs/dbraw/zinc/96/75/53/567967553.db2.gz CGVGJSRMINNDAP-CYBMUJFWSA-N -1 1 358.789 2.166 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)n[n-]1 ZINC000603152267 568065135 /nfs/dbraw/zinc/06/51/35/568065135.db2.gz CIWXUDSCCYGEBD-LCMPSIMXSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)[n-]1 ZINC000603152267 568065136 /nfs/dbraw/zinc/06/51/36/568065136.db2.gz CIWXUDSCCYGEBD-LCMPSIMXSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)n1 ZINC000603152267 568065137 /nfs/dbraw/zinc/06/51/37/568065137.db2.gz CIWXUDSCCYGEBD-LCMPSIMXSA-N -1 1 368.437 2.453 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)n[n-]1 ZINC000603156655 568068712 /nfs/dbraw/zinc/06/87/12/568068712.db2.gz UIKKMWISFBXBCF-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)[n-]1 ZINC000603156655 568068713 /nfs/dbraw/zinc/06/87/13/568068713.db2.gz UIKKMWISFBXBCF-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)n1 ZINC000603156655 568068714 /nfs/dbraw/zinc/06/87/14/568068714.db2.gz UIKKMWISFBXBCF-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603941846 568185179 /nfs/dbraw/zinc/18/51/79/568185179.db2.gz BDVDVVHPFXMAJG-ZDUSSCGKSA-N -1 1 362.455 2.369 20 0 FEADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2)n1 ZINC000604304755 568247174 /nfs/dbraw/zinc/24/71/74/568247174.db2.gz JFGOBJBFESGFMQ-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC000736286229 598842798 /nfs/dbraw/zinc/84/27/98/598842798.db2.gz AQDJEFNRZZGTAK-SNVBAGLBSA-N -1 1 359.386 2.318 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC000736286229 598842800 /nfs/dbraw/zinc/84/28/00/598842800.db2.gz AQDJEFNRZZGTAK-SNVBAGLBSA-N -1 1 359.386 2.318 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC2(CC2)c2ccccc21 ZINC000738356080 598846380 /nfs/dbraw/zinc/84/63/80/598846380.db2.gz YBTYVLAKDNXJQC-UHFFFAOYSA-N -1 1 371.397 2.246 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC2(CC2)c2ccccc21 ZINC000738356080 598846381 /nfs/dbraw/zinc/84/63/81/598846381.db2.gz YBTYVLAKDNXJQC-UHFFFAOYSA-N -1 1 371.397 2.246 20 0 FEADMM Cc1occc1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737201462 598857567 /nfs/dbraw/zinc/85/75/67/598857567.db2.gz SMIVQTRHXVBXQJ-UHFFFAOYSA-N -1 1 357.370 2.162 20 0 FEADMM CS(=O)(=O)c1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737173065 598955787 /nfs/dbraw/zinc/95/57/87/598955787.db2.gz FNAUVJARKGZDEE-UHFFFAOYSA-N -1 1 368.378 2.006 20 0 FEADMM C[C@H](COCC(F)(F)F)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736038750 598961399 /nfs/dbraw/zinc/96/13/99/598961399.db2.gz WWHRLIQZPRYYEH-MRVPVSSYSA-N -1 1 353.308 2.189 20 0 FEADMM C[C@H](COCC(F)(F)F)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736038750 598961401 /nfs/dbraw/zinc/96/14/01/598961401.db2.gz WWHRLIQZPRYYEH-MRVPVSSYSA-N -1 1 353.308 2.189 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCc1ccc2c(c1)CCO2 ZINC000738436437 598970173 /nfs/dbraw/zinc/97/01/73/598970173.db2.gz IJXAHHJHVZQNRT-UHFFFAOYSA-N -1 1 359.393 2.399 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCc1ccc2c(c1)CCO2 ZINC000738436437 598970174 /nfs/dbraw/zinc/97/01/74/598970174.db2.gz IJXAHHJHVZQNRT-UHFFFAOYSA-N -1 1 359.393 2.399 20 0 FEADMM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737100028 598985582 /nfs/dbraw/zinc/98/55/82/598985582.db2.gz PSRUCVYSMKJPME-UHFFFAOYSA-N -1 1 358.789 2.196 20 0 FEADMM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737100028 598985584 /nfs/dbraw/zinc/98/55/84/598985584.db2.gz PSRUCVYSMKJPME-UHFFFAOYSA-N -1 1 358.789 2.196 20 0 FEADMM O=C(NCc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738102555 598990619 /nfs/dbraw/zinc/99/06/19/598990619.db2.gz QHGNXTAILZIKJC-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM O=C(NCc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738102555 598990621 /nfs/dbraw/zinc/99/06/21/598990621.db2.gz QHGNXTAILZIKJC-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738110460 599001020 /nfs/dbraw/zinc/00/10/20/599001020.db2.gz CLSBULRZZNNGRV-UHFFFAOYSA-N -1 1 373.376 2.379 20 0 FEADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738110460 599001022 /nfs/dbraw/zinc/00/10/22/599001022.db2.gz CLSBULRZZNNGRV-UHFFFAOYSA-N -1 1 373.376 2.379 20 0 FEADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736832047 599019590 /nfs/dbraw/zinc/01/95/90/599019590.db2.gz YVCLBXNOKURNLL-UHFFFAOYSA-N -1 1 351.395 2.144 20 0 FEADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736832047 599019592 /nfs/dbraw/zinc/01/95/92/599019592.db2.gz YVCLBXNOKURNLL-UHFFFAOYSA-N -1 1 351.395 2.144 20 0 FEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2 ZINC000736166040 599026557 /nfs/dbraw/zinc/02/65/57/599026557.db2.gz XVNBZDDWOWBNJV-QMMMGPOBSA-N -1 1 355.379 2.341 20 0 FEADMM O=C(OCCc1c[nH]nc1C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000738220843 599027034 /nfs/dbraw/zinc/02/70/34/599027034.db2.gz DPSWBVKOEHYVJU-UHFFFAOYSA-N -1 1 358.305 2.070 20 0 FEADMM O=C(OCc1cc(-c2cccs2)on1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738235995 599132755 /nfs/dbraw/zinc/13/27/55/599132755.db2.gz DOOHCJRKCCURMD-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1cc(-c2cccs2)on1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738235995 599132757 /nfs/dbraw/zinc/13/27/57/599132757.db2.gz DOOHCJRKCCURMD-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccc2ccccc21 ZINC000737908949 599135030 /nfs/dbraw/zinc/13/50/30/599135030.db2.gz MZBGACCXWNKPCE-UHFFFAOYSA-N -1 1 374.360 2.210 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccc2ccccc21 ZINC000737908949 599135031 /nfs/dbraw/zinc/13/50/31/599135031.db2.gz MZBGACCXWNKPCE-UHFFFAOYSA-N -1 1 374.360 2.210 20 0 FEADMM CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000736643951 599151850 /nfs/dbraw/zinc/15/18/50/599151850.db2.gz BPODYJUGLNIVHM-UHFFFAOYSA-N -1 1 355.354 2.026 20 0 FEADMM CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000736643951 599151853 /nfs/dbraw/zinc/15/18/53/599151853.db2.gz BPODYJUGLNIVHM-UHFFFAOYSA-N -1 1 355.354 2.026 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(Cl)ccc2O1 ZINC000820743090 599204693 /nfs/dbraw/zinc/20/46/93/599204693.db2.gz QEPLKUQGHJWUPR-SECBINFHSA-N -1 1 356.773 2.343 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(Cl)ccc2O1 ZINC000820743090 599204696 /nfs/dbraw/zinc/20/46/96/599204696.db2.gz QEPLKUQGHJWUPR-SECBINFHSA-N -1 1 356.773 2.343 20 0 FEADMM O=C(NCc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823261346 607265609 /nfs/dbraw/zinc/26/56/09/607265609.db2.gz ICPIJCJGHQAITE-UHFFFAOYSA-N -1 1 357.395 2.020 20 0 FEADMM O=C(NCc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823261346 607265610 /nfs/dbraw/zinc/26/56/10/607265610.db2.gz ICPIJCJGHQAITE-UHFFFAOYSA-N -1 1 357.395 2.020 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000676233790 597081258 /nfs/dbraw/zinc/08/12/58/597081258.db2.gz UQEWRBOUUNZJHI-QGZVFWFLSA-N -1 1 374.481 2.038 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)sc1C ZINC000737473876 599242068 /nfs/dbraw/zinc/24/20/68/599242068.db2.gz IHXQPUZPOXFWIS-CYBMUJFWSA-N -1 1 369.454 2.355 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)sc1C ZINC000737473876 599242071 /nfs/dbraw/zinc/24/20/71/599242071.db2.gz IHXQPUZPOXFWIS-CYBMUJFWSA-N -1 1 369.454 2.355 20 0 FEADMM Cc1c([C@@H](C)NCCC(=O)[O-])nnn1-c1cccc(Br)c1 ZINC000818772730 597240443 /nfs/dbraw/zinc/24/04/43/597240443.db2.gz ODDFGWRIHSYFQX-SECBINFHSA-N -1 1 353.220 2.464 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000536199837 597419987 /nfs/dbraw/zinc/41/99/87/597419987.db2.gz WSXLPZQREYEJJG-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM Cc1noc(COc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)n1 ZINC000822528171 607317122 /nfs/dbraw/zinc/31/71/22/607317122.db2.gz VYFSWYMONVHCCR-UHFFFAOYSA-N -1 1 353.342 2.342 20 0 FEADMM Cc1noc(COc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)n1 ZINC000822528171 607317123 /nfs/dbraw/zinc/31/71/23/607317123.db2.gz VYFSWYMONVHCCR-UHFFFAOYSA-N -1 1 353.342 2.342 20 0 FEADMM Clc1nsc(NCc2cccc(-n3cncn3)c2)c1-c1nnn[n-]1 ZINC000737584951 599269359 /nfs/dbraw/zinc/26/93/59/599269359.db2.gz UIDRRXSTXQNIGZ-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM Clc1nsc(NCc2cccc(-n3cncn3)c2)c1-c1nn[n-]n1 ZINC000737584951 599269361 /nfs/dbraw/zinc/26/93/61/599269361.db2.gz UIDRRXSTXQNIGZ-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM CCCc1nc([C@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)n[nH]1 ZINC000820330284 598177748 /nfs/dbraw/zinc/17/77/48/598177748.db2.gz QBPACIYSXLFMFQ-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)n1 ZINC000820330284 598177749 /nfs/dbraw/zinc/17/77/49/598177749.db2.gz QBPACIYSXLFMFQ-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CCCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736481069 598260795 /nfs/dbraw/zinc/26/07/95/598260795.db2.gz SDOQOTMYHOJVOX-UHFFFAOYSA-N -1 1 372.454 2.171 20 0 FEADMM CCCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736481069 598260796 /nfs/dbraw/zinc/26/07/96/598260796.db2.gz SDOQOTMYHOJVOX-UHFFFAOYSA-N -1 1 372.454 2.171 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccccc1 ZINC000736214503 598268750 /nfs/dbraw/zinc/26/87/50/598268750.db2.gz REVGSEAORQAIFE-HNNXBMFYSA-N -1 1 370.438 2.034 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccccc1 ZINC000736214503 598268751 /nfs/dbraw/zinc/26/87/51/598268751.db2.gz REVGSEAORQAIFE-HNNXBMFYSA-N -1 1 370.438 2.034 20 0 FEADMM CCOc1cc2c(cc1OCC)CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000736634777 598338763 /nfs/dbraw/zinc/33/87/63/598338763.db2.gz ILXXMLHLMXDVQU-UHFFFAOYSA-N -1 1 367.413 2.017 20 0 FEADMM CCOc1cc2c(cc1OCC)CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000736634777 598338765 /nfs/dbraw/zinc/33/87/65/598338765.db2.gz ILXXMLHLMXDVQU-UHFFFAOYSA-N -1 1 367.413 2.017 20 0 FEADMM COC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736931410 598412037 /nfs/dbraw/zinc/41/20/37/598412037.db2.gz NVEYXMWGNLLVCG-UHFFFAOYSA-N -1 1 372.312 2.128 20 0 FEADMM COC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736931410 598412038 /nfs/dbraw/zinc/41/20/38/598412038.db2.gz NVEYXMWGNLLVCG-UHFFFAOYSA-N -1 1 372.312 2.128 20 0 FEADMM Clc1ccc(N2CC[C@@H](CNc3ccccn3)C2)nc1-c1nnn[n-]1 ZINC000737575536 598579317 /nfs/dbraw/zinc/57/93/17/598579317.db2.gz MCXGQUMOSPSYLM-NSHDSACASA-N -1 1 356.821 2.249 20 0 FEADMM Clc1ccc(N2CC[C@@H](CNc3ccccn3)C2)nc1-c1nn[n-]n1 ZINC000737575536 598579318 /nfs/dbraw/zinc/57/93/18/598579318.db2.gz MCXGQUMOSPSYLM-NSHDSACASA-N -1 1 356.821 2.249 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H](C)C(F)(F)F ZINC000826233167 607362592 /nfs/dbraw/zinc/36/25/92/607362592.db2.gz WLLVGODUOFMFAP-SSDOTTSWSA-N -1 1 373.335 2.258 20 0 FEADMM Cc1cccc(C(C)C)c1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000737386128 598677130 /nfs/dbraw/zinc/67/71/30/598677130.db2.gz AVEFASUHVAPSFL-UHFFFAOYSA-N -1 1 352.398 2.099 20 0 FEADMM COc1cccc([C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737128639 598678345 /nfs/dbraw/zinc/67/83/45/598678345.db2.gz PPSPWGODHXLZET-VIFPVBQESA-N -1 1 352.807 2.131 20 0 FEADMM COc1cccc([C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737128639 598678347 /nfs/dbraw/zinc/67/83/47/598678347.db2.gz PPSPWGODHXLZET-VIFPVBQESA-N -1 1 352.807 2.131 20 0 FEADMM CCC(C)(C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736315745 598720986 /nfs/dbraw/zinc/72/09/86/598720986.db2.gz UYZSEPASXRPZOG-UHFFFAOYSA-N -1 1 374.832 2.140 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000557581786 674455000 /nfs/dbraw/zinc/45/50/00/674455000.db2.gz WRLVRVSZVXPVSF-LBPRGKRZSA-N -1 1 361.471 2.277 20 0 FEADMM CC(C)OC(=O)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735895015 598795212 /nfs/dbraw/zinc/79/52/12/598795212.db2.gz NAUQUNIOVZXZSV-UHFFFAOYSA-N -1 1 371.854 2.398 20 0 FEADMM CC(C)OC(=O)N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735895015 598795213 /nfs/dbraw/zinc/79/52/13/598795213.db2.gz NAUQUNIOVZXZSV-UHFFFAOYSA-N -1 1 371.854 2.398 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000737202276 598809640 /nfs/dbraw/zinc/80/96/40/598809640.db2.gz ZOPOUWMNFJJWKC-FIXISWKDSA-N -1 1 372.473 2.458 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000557618062 674457376 /nfs/dbraw/zinc/45/73/76/674457376.db2.gz CXIDXDQHNCOXMB-VIFPVBQESA-N -1 1 361.847 2.140 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1O ZINC000822258885 599305069 /nfs/dbraw/zinc/30/50/69/599305069.db2.gz GHXRYJRQYFWTEF-UHFFFAOYSA-N -1 1 365.802 2.335 20 0 FEADMM C[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1C(F)(F)F ZINC000820225081 599318427 /nfs/dbraw/zinc/31/84/27/599318427.db2.gz ADEGMWMUHXYISF-QMMMGPOBSA-N -1 1 365.319 2.498 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2)C1 ZINC000823605764 599341405 /nfs/dbraw/zinc/34/14/05/599341405.db2.gz AVWLSPNBZDECDL-CYBMUJFWSA-N -1 1 373.413 2.184 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2)C1 ZINC000823605764 599341406 /nfs/dbraw/zinc/34/14/06/599341406.db2.gz AVWLSPNBZDECDL-CYBMUJFWSA-N -1 1 373.413 2.184 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1C1CCC1 ZINC000823600630 599344095 /nfs/dbraw/zinc/34/40/95/599344095.db2.gz JHFYRRQLFRFHBQ-CYBMUJFWSA-N -1 1 367.862 2.473 20 0 FEADMM CC(=O)N1CCCCC[C@@H]1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735466006 599433522 /nfs/dbraw/zinc/43/35/22/599433522.db2.gz OUDZNDJKWJSXSM-QGZVFWFLSA-N -1 1 369.473 2.269 20 0 FEADMM CC(=O)N1CCCCC[C@@H]1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735466006 599433527 /nfs/dbraw/zinc/43/35/27/599433527.db2.gz OUDZNDJKWJSXSM-QGZVFWFLSA-N -1 1 369.473 2.269 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821971011 599440569 /nfs/dbraw/zinc/44/05/69/599440569.db2.gz VROHIVZHYFIGDH-ZJUUUORDSA-N -1 1 362.459 2.340 20 0 FEADMM COC(=O)N1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821664937 599492802 /nfs/dbraw/zinc/49/28/02/599492802.db2.gz OXEKLAIJBNKGPZ-UHFFFAOYSA-N -1 1 353.386 2.058 20 0 FEADMM COC(=O)N1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821664937 599492804 /nfs/dbraw/zinc/49/28/04/599492804.db2.gz OXEKLAIJBNKGPZ-UHFFFAOYSA-N -1 1 353.386 2.058 20 0 FEADMM CCO[C@H](C)c1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000736614654 599496536 /nfs/dbraw/zinc/49/65/36/599496536.db2.gz ICALZVQMPGQHAN-SECBINFHSA-N -1 1 360.399 2.173 20 0 FEADMM CCO[C@H](C)c1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000736614654 599496539 /nfs/dbraw/zinc/49/65/39/599496539.db2.gz ICALZVQMPGQHAN-SECBINFHSA-N -1 1 360.399 2.173 20 0 FEADMM CC(C)(C)OC(=O)NCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819940285 599499640 /nfs/dbraw/zinc/49/96/40/599499640.db2.gz VWMNKBMGTSHPOP-UHFFFAOYSA-N -1 1 355.402 2.352 20 0 FEADMM CC(C)(C)OC(=O)NCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819940285 599499642 /nfs/dbraw/zinc/49/96/42/599499642.db2.gz VWMNKBMGTSHPOP-UHFFFAOYSA-N -1 1 355.402 2.352 20 0 FEADMM CN(C)C(=O)c1cccc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821579761 599584989 /nfs/dbraw/zinc/58/49/89/599584989.db2.gz MTRDTFUANQKABF-UHFFFAOYSA-N -1 1 371.832 2.272 20 0 FEADMM CN(C)C(=O)c1cccc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821579761 599584990 /nfs/dbraw/zinc/58/49/90/599584990.db2.gz MTRDTFUANQKABF-UHFFFAOYSA-N -1 1 371.832 2.272 20 0 FEADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(OC)cc1 ZINC000736382612 599605061 /nfs/dbraw/zinc/60/50/61/599605061.db2.gz MWEOXPJYTIBYAW-HNNXBMFYSA-N -1 1 367.365 2.089 20 0 FEADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(OC)cc1 ZINC000736382612 599605063 /nfs/dbraw/zinc/60/50/63/599605063.db2.gz MWEOXPJYTIBYAW-HNNXBMFYSA-N -1 1 367.365 2.089 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000392155972 599737396 /nfs/dbraw/zinc/73/73/96/599737396.db2.gz NZKZLACQDGNUPA-UHFFFAOYSA-N -1 1 372.786 2.134 20 0 FEADMM CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c(F)cc1F ZINC000736161462 599738076 /nfs/dbraw/zinc/73/80/76/599738076.db2.gz TYDQOPOGEGJANT-UHFFFAOYSA-N -1 1 360.294 2.015 20 0 FEADMM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCCC[C@H]1CC(=O)[O-])C2=O ZINC000736751992 599840954 /nfs/dbraw/zinc/84/09/54/599840954.db2.gz ZBJIPPCSKZNLLY-TYILLQQXSA-N -1 1 365.474 2.410 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(CCC(=O)[O-])cc3)cc12 ZINC000738954996 599854199 /nfs/dbraw/zinc/85/41/99/599854199.db2.gz DZCQUAURDUKCPN-UHFFFAOYSA-N -1 1 361.379 2.349 20 0 FEADMM O=C([O-])Nc1cccc(C(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000740027586 599934865 /nfs/dbraw/zinc/93/48/65/599934865.db2.gz XJEPEWWIWKKNBN-UHFFFAOYSA-N -1 1 361.442 2.351 20 0 FEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000737358459 599951175 /nfs/dbraw/zinc/95/11/75/599951175.db2.gz MULSYNXXFUKHFG-SFHVURJKSA-N -1 1 356.422 2.053 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000675093750 600023019 /nfs/dbraw/zinc/02/30/19/600023019.db2.gz ZWIIEGBGZWOYKO-UHFFFAOYSA-N -1 1 372.406 2.134 20 0 FEADMM COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1c([O-])cc(F)cc1F ZINC000821745473 607415787 /nfs/dbraw/zinc/41/57/87/607415787.db2.gz XWVLSEBVZANDEM-UHFFFAOYSA-N -1 1 362.292 2.216 20 0 FEADMM CC(C)(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000736305555 600233193 /nfs/dbraw/zinc/23/31/93/600233193.db2.gz GHJAVDWJZMLKTQ-UHFFFAOYSA-N -1 1 359.354 2.415 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736411194 600262956 /nfs/dbraw/zinc/26/29/56/600262956.db2.gz GCLMMTDXQKFIKC-RDJZCZTQSA-N -1 1 350.434 2.306 20 0 FEADMM Cc1cccc(NC(=O)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000738736401 600293143 /nfs/dbraw/zinc/29/31/43/600293143.db2.gz XGCPGFNQWGKIML-AWEZNQCLSA-N -1 1 359.426 2.138 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)cnc1Cl ZINC000738250756 600299366 /nfs/dbraw/zinc/29/93/66/600299366.db2.gz DZAVFFFTHCYNPW-UHFFFAOYSA-N -1 1 356.787 2.308 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)c1 ZINC000738356312 600310296 /nfs/dbraw/zinc/31/02/96/600310296.db2.gz WAHDRGGMLAYRGO-GOSISDBHSA-N -1 1 358.482 2.457 20 0 FEADMM CN1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000737522994 600376711 /nfs/dbraw/zinc/37/67/11/600376711.db2.gz SCXOBXGULQXMGI-QWHCGFSZSA-N -1 1 355.232 2.175 20 0 FEADMM COC(=O)[C@@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000737582097 600397988 /nfs/dbraw/zinc/39/79/88/600397988.db2.gz YCHIANCDUQUQKF-RTBURBONSA-N -1 1 368.433 2.344 20 0 FEADMM CC1CCN([C@@H](CNS(=O)(=O)CCCC(=O)[O-])c2ccccc2)CC1 ZINC000736798230 600402486 /nfs/dbraw/zinc/40/24/86/600402486.db2.gz SYKRTANZQZDUDE-KRWDZBQOSA-N -1 1 368.499 2.244 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000736719563 600514879 /nfs/dbraw/zinc/51/48/79/600514879.db2.gz XNEYNWGPIQHAGL-PBHICJAKSA-N -1 1 366.433 2.301 20 0 FEADMM Cc1oc(NC(=O)CN2C[C@H](C)Oc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822548842 607451040 /nfs/dbraw/zinc/45/10/40/607451040.db2.gz PFMIAQDDTKKGTL-JTQLQIEISA-N -1 1 368.397 2.303 20 0 FEADMM COc1cccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)N(C)C)c1 ZINC000738092145 600544072 /nfs/dbraw/zinc/54/40/72/600544072.db2.gz NTCAIAGEYYJWOT-OAHLLOKOSA-N -1 1 361.398 2.089 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000736205436 600643122 /nfs/dbraw/zinc/64/31/22/600643122.db2.gz OTBMDKFPPGDVQC-QAPCUYQASA-N -1 1 360.454 2.242 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000739568301 600656636 /nfs/dbraw/zinc/65/66/36/600656636.db2.gz LBEXFIHCAQURAO-QZTJIDSGSA-N -1 1 373.497 2.206 20 0 FEADMM O=C([O-])c1ccc2c(cnn2CN2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000833326314 600712829 /nfs/dbraw/zinc/71/28/29/600712829.db2.gz NRVYQUUWFAKXFE-UHFFFAOYSA-N -1 1 366.425 2.109 20 0 FEADMM CS(=O)(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832704009 600735977 /nfs/dbraw/zinc/73/59/77/600735977.db2.gz QPZFOISMBNXCFZ-OAHLLOKOSA-N -1 1 352.387 2.113 20 0 FEADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CCN1C ZINC000828167147 600760179 /nfs/dbraw/zinc/76/01/79/600760179.db2.gz CCCIWRDRQCKQAF-GXFFZTMASA-N -1 1 360.863 2.141 20 0 FEADMM Cc1cccc(NC2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000738312244 600796801 /nfs/dbraw/zinc/79/68/01/600796801.db2.gz SLYAWICCULEREJ-UHFFFAOYSA-N -1 1 359.470 2.195 20 0 FEADMM O=C([O-])CC1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000738564065 600811636 /nfs/dbraw/zinc/81/16/36/600811636.db2.gz UWKUTABEZDVGQP-UHFFFAOYSA-N -1 1 361.377 2.007 20 0 FEADMM O=C([O-])CC1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000738564065 600811639 /nfs/dbraw/zinc/81/16/39/600811639.db2.gz UWKUTABEZDVGQP-UHFFFAOYSA-N -1 1 361.377 2.007 20 0 FEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cccc(C(=O)[O-])c3C)[nH]c2c1 ZINC000832959529 600863822 /nfs/dbraw/zinc/86/38/22/600863822.db2.gz WCSBYCIBTABQEO-UHFFFAOYSA-N -1 1 366.377 2.133 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C12CCCCC2 ZINC000574577753 600973134 /nfs/dbraw/zinc/97/31/34/600973134.db2.gz FUFBCUXIEZZZOH-DLBZAZTESA-N -1 1 366.502 2.369 20 0 FEADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000829872890 601031497 /nfs/dbraw/zinc/03/14/97/601031497.db2.gz BTAOCNSDXFHCJL-KRWDZBQOSA-N -1 1 368.455 2.323 20 0 FEADMM CCOC(=O)c1sc(NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1C ZINC000829895384 601034359 /nfs/dbraw/zinc/03/43/59/601034359.db2.gz QVVWXYZFTBTJIB-INIZCTEOSA-N -1 1 354.428 2.015 20 0 FEADMM C[C@](NCC(=O)NCCc1cccc(Cl)c1Cl)(C(=O)[O-])C1CC1 ZINC000827726977 601039351 /nfs/dbraw/zinc/03/93/51/601039351.db2.gz DBJUVUYCGGENNJ-MRXNPFEDSA-N -1 1 359.253 2.495 20 0 FEADMM Cc1cccc(-c2c[nH]c([C@H]3CCCN3CCC(=O)NCC(=O)[O-])n2)c1 ZINC000832960595 601042026 /nfs/dbraw/zinc/04/20/26/601042026.db2.gz VEVIGXCYAZHXST-MRXNPFEDSA-N -1 1 356.426 2.113 20 0 FEADMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)NCC(=O)[O-] ZINC000827180210 601044303 /nfs/dbraw/zinc/04/43/03/601044303.db2.gz PAGSFUKQTALXQG-INIZCTEOSA-N -1 1 358.442 2.345 20 0 FEADMM Clc1ccc([C@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826351765 607487004 /nfs/dbraw/zinc/48/70/04/607487004.db2.gz ZJYQKMOGBXFRHD-MRXNPFEDSA-N -1 1 356.817 2.489 20 0 FEADMM CCn1cc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c2ccccc21 ZINC000630225403 601088663 /nfs/dbraw/zinc/08/86/63/601088663.db2.gz VCBYJEUKQGKODD-HNNXBMFYSA-N -1 1 357.454 2.211 20 0 FEADMM COc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c2ccccc12 ZINC000630223201 601092885 /nfs/dbraw/zinc/09/28/85/601092885.db2.gz IOVUPRUMOQOXQM-AWEZNQCLSA-N -1 1 356.422 2.469 20 0 FEADMM CC(C)c1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1C(C)(C)C ZINC000630225821 601097805 /nfs/dbraw/zinc/09/78/05/601097805.db2.gz XLPMUOPZEKQHQZ-CQSZACIVSA-N -1 1 364.490 2.383 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000630222426 601104067 /nfs/dbraw/zinc/10/40/67/601104067.db2.gz DZEWLOCMCIYZKX-HNNXBMFYSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000827368928 601127168 /nfs/dbraw/zinc/12/71/68/601127168.db2.gz KVCLAIUAVQXNDQ-ZDUSSCGKSA-N -1 1 374.441 2.048 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000827369364 601132977 /nfs/dbraw/zinc/13/29/77/601132977.db2.gz WNIGOORIOQSJID-AWEZNQCLSA-N -1 1 361.442 2.488 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000827369365 601132983 /nfs/dbraw/zinc/13/29/83/601132983.db2.gz WNIGOORIOQSJID-CQSZACIVSA-N -1 1 361.442 2.488 20 0 FEADMM CN(C)Cc1ccnc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000830623921 601141459 /nfs/dbraw/zinc/14/14/59/601141459.db2.gz NZTZHIKOSHDIKG-UHFFFAOYSA-N -1 1 352.394 2.435 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000828714476 601155948 /nfs/dbraw/zinc/15/59/48/601155948.db2.gz ASRHGHFGFAVPSR-WSMBLCCSSA-N -1 1 368.499 2.252 20 0 FEADMM COC(=O)/C(C)=C/CN1CCN(C/C=C(\C)C(=O)[O-])C2(CCCCC2)C1 ZINC000831053937 601178218 /nfs/dbraw/zinc/17/82/18/601178218.db2.gz XBTAAFGKAGFYFB-UIBPQKGBSA-N -1 1 364.486 2.457 20 0 FEADMM Cc1nc([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)CCO2)n[nH]1 ZINC000832990421 601199255 /nfs/dbraw/zinc/19/92/55/601199255.db2.gz AHIWCAZSXFIZGV-LBPRGKRZSA-N -1 1 365.777 2.070 20 0 FEADMM Cc1nc([C@@H]2CN(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000832991237 601199282 /nfs/dbraw/zinc/19/92/82/601199282.db2.gz LCLLLVGMCMDISL-LBPRGKRZSA-N -1 1 365.777 2.070 20 0 FEADMM Clc1ccccc1[C@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC000826353377 607495465 /nfs/dbraw/zinc/49/54/65/607495465.db2.gz MUJBXSAXUWUMHU-MRXNPFEDSA-N -1 1 356.817 2.489 20 0 FEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000828237542 601239961 /nfs/dbraw/zinc/23/99/61/601239961.db2.gz COPGJUHHGOSBDJ-OGQTVDGUSA-N -1 1 366.483 2.326 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])C(C)C)n[nH]2)cc1OC ZINC000832111339 601287001 /nfs/dbraw/zinc/28/70/01/601287001.db2.gz GVEBUPMWKHBCKJ-UHFFFAOYSA-N -1 1 361.398 2.419 20 0 FEADMM Clc1ccccc1[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000826353377 607495467 /nfs/dbraw/zinc/49/54/67/607495467.db2.gz MUJBXSAXUWUMHU-MRXNPFEDSA-N -1 1 356.817 2.489 20 0 FEADMM CCC(CC)(CC(=O)[O-])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000828779635 601307623 /nfs/dbraw/zinc/30/76/23/601307623.db2.gz AYHBFCOSJYEIBC-UHFFFAOYSA-N -1 1 361.486 2.348 20 0 FEADMM COc1ccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)cc1C(=O)[O-] ZINC000832336348 601313415 /nfs/dbraw/zinc/31/34/15/601313415.db2.gz RMRRAGAWNMJAFT-UHFFFAOYSA-N -1 1 367.365 2.296 20 0 FEADMM O=C([O-])c1ccc(OCCNC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000833321644 601362144 /nfs/dbraw/zinc/36/21/44/601362144.db2.gz XOXLQDPYHAGHHK-UHFFFAOYSA-N -1 1 358.398 2.076 20 0 FEADMM CN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C[C@@H]1CCOC1 ZINC000830683660 601384049 /nfs/dbraw/zinc/38/40/49/601384049.db2.gz BGJXDTZZBLTKET-NSHDSACASA-N -1 1 352.456 2.232 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000827369256 601587236 /nfs/dbraw/zinc/58/72/36/601587236.db2.gz SKPXXSNVHBPXPB-CYBMUJFWSA-N -1 1 358.398 2.354 20 0 FEADMM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000826045435 601656447 /nfs/dbraw/zinc/65/64/47/601656447.db2.gz UBHKZYLKTLYAKQ-ORAYPTAESA-N -1 1 367.405 2.023 20 0 FEADMM CCc1ocnc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000830403786 601734366 /nfs/dbraw/zinc/73/43/66/601734366.db2.gz UTPCELLRNRNRFR-IBGZPJMESA-N -1 1 357.410 2.086 20 0 FEADMM CCCCC[C@@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000829332748 601748101 /nfs/dbraw/zinc/74/81/01/601748101.db2.gz ABVWPYPLURTTKF-GOSISDBHSA-N -1 1 361.486 2.197 20 0 FEADMM CCCCC[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000829332751 601748119 /nfs/dbraw/zinc/74/81/19/601748119.db2.gz ABVWPYPLURTTKF-SFHVURJKSA-N -1 1 361.486 2.197 20 0 FEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000833345552 601831781 /nfs/dbraw/zinc/83/17/81/601831781.db2.gz YRIBEZBDMOQUHL-UHFFFAOYSA-N -1 1 352.759 2.110 20 0 FEADMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000828258166 601836088 /nfs/dbraw/zinc/83/60/88/601836088.db2.gz PZPBIVFPBXLUQN-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM O=C([O-])N[C@@H](C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000740687455 601862565 /nfs/dbraw/zinc/86/25/65/601862565.db2.gz SEIZXRYDZHSHJQ-GOSISDBHSA-N -1 1 368.437 2.171 20 0 FEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000736362694 601870503 /nfs/dbraw/zinc/87/05/03/601870503.db2.gz HYQAPHMVDPVENN-INIZCTEOSA-N -1 1 351.422 2.199 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(F)cc1Cl ZINC000809384495 674492515 /nfs/dbraw/zinc/49/25/15/674492515.db2.gz QTGCWCYVNWQTCD-VIFPVBQESA-N -1 1 365.810 2.113 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1CC(=O)NCc1ccccc1F ZINC000740369533 601927225 /nfs/dbraw/zinc/92/72/25/601927225.db2.gz NHFMWHUXXVDBQS-IRXDYDNUSA-N -1 1 363.433 2.439 20 0 FEADMM CN(C)C1(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)CCC1 ZINC000830585192 601942454 /nfs/dbraw/zinc/94/24/54/601942454.db2.gz RXAXNZZYPCDVFA-INIZCTEOSA-N -1 1 373.453 2.189 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000739277713 601946840 /nfs/dbraw/zinc/94/68/40/601946840.db2.gz FURLEMXEHROVKR-OCCSQVGLSA-N -1 1 351.472 2.173 20 0 FEADMM O=C([O-])CCN(Cc1cn(-c2ccc(Cl)cc2)nn1)C1CCOCC1 ZINC000565716763 601960904 /nfs/dbraw/zinc/96/09/04/601960904.db2.gz ZASOOPQTOBUJQO-UHFFFAOYSA-N -1 1 364.833 2.376 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824419600 607541676 /nfs/dbraw/zinc/54/16/76/607541676.db2.gz ADTLIWYIIXTPHG-VIFPVBQESA-N -1 1 367.841 2.488 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824419600 607541679 /nfs/dbraw/zinc/54/16/79/607541679.db2.gz ADTLIWYIIXTPHG-VIFPVBQESA-N -1 1 367.841 2.488 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)c1 ZINC000821551611 602059336 /nfs/dbraw/zinc/05/93/36/602059336.db2.gz ZJWBALWAIMYJEE-UHFFFAOYSA-N -1 1 355.375 2.252 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000740119609 602059971 /nfs/dbraw/zinc/05/99/71/602059971.db2.gz XYRHKFZYYNXQTA-HNNXBMFYSA-N -1 1 364.446 2.167 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1cccc(F)c1 ZINC000739608168 602061688 /nfs/dbraw/zinc/06/16/88/602061688.db2.gz MISQODJLRBSWLC-XJKSGUPXSA-N -1 1 366.437 2.118 20 0 FEADMM CCNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000829803903 602166502 /nfs/dbraw/zinc/16/65/02/602166502.db2.gz MLKPKYXKYASSNV-GOSISDBHSA-N -1 1 372.421 2.369 20 0 FEADMM O=C([O-])N1CCN(Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000738646651 602302537 /nfs/dbraw/zinc/30/25/37/602302537.db2.gz GPRBLVMCMBDUEW-UHFFFAOYSA-N -1 1 366.215 2.017 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000739609869 602339738 /nfs/dbraw/zinc/33/97/38/602339738.db2.gz XXNISCIUCLWFRZ-LSDHHAIUSA-N -1 1 361.467 2.346 20 0 FEADMM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000740061391 602434480 /nfs/dbraw/zinc/43/44/80/602434480.db2.gz XMKAVVOIMJIOKP-HOTGVXAUSA-N -1 1 350.459 2.374 20 0 FEADMM COc1cccc(CNC(=O)[C@@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000739948604 602446368 /nfs/dbraw/zinc/44/63/68/602446368.db2.gz ZTWLTYSFLNPOCL-ZIAGYGMSSA-N -1 1 363.458 2.068 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740185812 602446804 /nfs/dbraw/zinc/44/68/04/602446804.db2.gz XQFYXWKIVBRBPT-HOTGVXAUSA-N -1 1 361.486 2.410 20 0 FEADMM CCCN(CC(=O)N[C@@H]1CCOc2ccccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354777 602545723 /nfs/dbraw/zinc/54/57/23/602545723.db2.gz SFRJAMSRGNQNRK-GOEBONIOSA-N -1 1 361.442 2.091 20 0 FEADMM CCCN(CC(=O)NCc1cc(F)cc(F)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353633 602547609 /nfs/dbraw/zinc/54/76/09/602547609.db2.gz KYPAMPSRQKMZGW-OAHLLOKOSA-N -1 1 355.385 2.045 20 0 FEADMM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nc2ccccc2c(=O)n1C ZINC000739102636 602553884 /nfs/dbraw/zinc/55/38/84/602553884.db2.gz SDUDTRFIKHDHLM-YJYMSZOUSA-N -1 1 358.442 2.240 20 0 FEADMM CC(=O)c1cccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000824029453 607574745 /nfs/dbraw/zinc/57/47/45/607574745.db2.gz KXCDRHVQRIKXPN-UHFFFAOYSA-N -1 1 358.379 2.145 20 0 FEADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN(CC4CC4)CC3)cc2C1 ZINC000740529306 602609844 /nfs/dbraw/zinc/60/98/44/602609844.db2.gz FQHBMUDMLQFWOX-UHFFFAOYSA-N -1 1 358.442 2.282 20 0 FEADMM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000740426186 602690925 /nfs/dbraw/zinc/69/09/25/602690925.db2.gz JRODHHFLSUZOAN-GJZGRUSLSA-N -1 1 364.446 2.106 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000558611212 674506645 /nfs/dbraw/zinc/50/66/45/674506645.db2.gz IUVKGHLJMVQVFZ-GHMZBOCLSA-N -1 1 367.345 2.051 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1ccc(F)cc1 ZINC000739608614 602708194 /nfs/dbraw/zinc/70/81/94/602708194.db2.gz PNCLJMXRMLBYOR-ZDUSSCGKSA-N -1 1 366.418 2.083 20 0 FEADMM O=C([O-])N1CCCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000740522628 602739085 /nfs/dbraw/zinc/73/90/85/602739085.db2.gz RBHRQFPQPDSVSG-LLVKDONJSA-N -1 1 363.241 2.419 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)N2CCCC2)o1 ZINC000740119577 602749204 /nfs/dbraw/zinc/74/92/04/602749204.db2.gz XHZCYRRRFSVJAG-DZGCQCFKSA-N -1 1 364.446 2.119 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171537 602771251 /nfs/dbraw/zinc/77/12/51/602771251.db2.gz CGVSDKAKYHKWEG-XJKCOSOUSA-N -1 1 351.422 2.323 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(C1CC1)C1CCCCC1 ZINC000826495230 607588199 /nfs/dbraw/zinc/58/81/99/607588199.db2.gz HUYDBHQJUFJAAR-UHFFFAOYSA-N -1 1 365.434 2.492 20 0 FEADMM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000740465538 602857770 /nfs/dbraw/zinc/85/77/70/602857770.db2.gz NHFIXZNDJZLYAX-ZDUSSCGKSA-N -1 1 356.338 2.140 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C[C@@H](C)N1C(=O)[O-] ZINC000739133987 602882532 /nfs/dbraw/zinc/88/25/32/602882532.db2.gz JRLHAHZOMCRTNN-RBSFLKMASA-N -1 1 364.446 2.199 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)c1ccco1 ZINC000739407354 602935124 /nfs/dbraw/zinc/93/51/24/602935124.db2.gz KHRNHLZJZJYTKS-RRFJBIMHSA-N -1 1 366.462 2.350 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000740078731 602937528 /nfs/dbraw/zinc/93/75/28/602937528.db2.gz CJCMFZDWRRYFMZ-WBVHZDCISA-N -1 1 360.458 2.122 20 0 FEADMM Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826294253 607595942 /nfs/dbraw/zinc/59/59/42/607595942.db2.gz MSTBEEXDCQBCRJ-AWEZNQCLSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826294253 607595944 /nfs/dbraw/zinc/59/59/44/607595944.db2.gz MSTBEEXDCQBCRJ-AWEZNQCLSA-N -1 1 373.413 2.280 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739605345 602955498 /nfs/dbraw/zinc/95/54/98/602955498.db2.gz BGISVTMVSNZMIR-CVEARBPZSA-N -1 1 366.437 2.260 20 0 FEADMM O=C([O-])N1CCC[C@H]1C1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000740515442 602992076 /nfs/dbraw/zinc/99/20/76/602992076.db2.gz IGNQCAAGXWFCFZ-SFHVURJKSA-N -1 1 370.453 2.251 20 0 FEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000739194656 602994628 /nfs/dbraw/zinc/99/46/28/602994628.db2.gz BJXXMYMWLRTJAL-MAUKXSAKSA-N -1 1 374.485 2.265 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCN1CCOC ZINC000739279859 603042032 /nfs/dbraw/zinc/04/20/32/603042032.db2.gz OWZMZBHPVDEOPO-CYBMUJFWSA-N -1 1 368.409 2.490 20 0 FEADMM Cc1ncsc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000740242032 603058885 /nfs/dbraw/zinc/05/88/85/603058885.db2.gz JDFNGCINNZQLBX-UHFFFAOYSA-N -1 1 358.383 2.257 20 0 FEADMM Cc1ncsc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000740242032 603058889 /nfs/dbraw/zinc/05/88/89/603058889.db2.gz JDFNGCINNZQLBX-UHFFFAOYSA-N -1 1 358.383 2.257 20 0 FEADMM O=C([O-])NCCCC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739964395 603132320 /nfs/dbraw/zinc/13/23/20/603132320.db2.gz POSCLNIKZHHTPX-AWEZNQCLSA-N -1 1 373.375 2.444 20 0 FEADMM O=S(=O)(Oc1cc(F)ccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493274 607609269 /nfs/dbraw/zinc/60/92/69/607609269.db2.gz CDSGMSXQSGZWDC-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cc(F)ccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493274 607609270 /nfs/dbraw/zinc/60/92/70/607609270.db2.gz CDSGMSXQSGZWDC-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CCCC[C@H](COC)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825260341 607619951 /nfs/dbraw/zinc/61/99/51/607619951.db2.gz OHEHPFYHZYQTTP-SNVBAGLBSA-N -1 1 373.866 2.004 20 0 FEADMM CCCC[C@H](COC)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825260341 607619953 /nfs/dbraw/zinc/61/99/53/607619953.db2.gz OHEHPFYHZYQTTP-SNVBAGLBSA-N -1 1 373.866 2.004 20 0 FEADMM O=c1cc(C(F)F)nc(SC[C@@H]2CN=C(N3CCOCC3)S2)[n-]1 ZINC000809987041 674524075 /nfs/dbraw/zinc/52/40/75/674524075.db2.gz TZSVWHGXGXCQJP-QMMMGPOBSA-N -1 1 362.427 2.016 20 0 FEADMM O=C([O-])N1CC[C@H](CN2CCN(Cc3nc4ccccc4s3)CC2)C1 ZINC000740501686 603322905 /nfs/dbraw/zinc/32/29/05/603322905.db2.gz CGCDCKRECKVRJP-CQSZACIVSA-N -1 1 360.483 2.414 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830083803 603438058 /nfs/dbraw/zinc/43/80/58/603438058.db2.gz BQVJQFFGEGEHDG-HUUCEWRRSA-N -1 1 360.458 2.122 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CCC[C@H](CN(C)C(=O)[O-])C3)[nH]c2c1 ZINC000830432409 603467273 /nfs/dbraw/zinc/46/72/73/603467273.db2.gz GCWWCDXXZZXJRG-CYBMUJFWSA-N -1 1 359.430 2.403 20 0 FEADMM Cc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)cc1NC(=O)[O-] ZINC000830206108 603508906 /nfs/dbraw/zinc/50/89/06/603508906.db2.gz XEHHEPMBXQZSRU-CQSZACIVSA-N -1 1 352.354 2.117 20 0 FEADMM CN1CCC[C@@H](NC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)C1 ZINC000828481663 603536644 /nfs/dbraw/zinc/53/66/44/603536644.db2.gz RAOLTVMJWVLPQQ-MRXNPFEDSA-N -1 1 358.442 2.123 20 0 FEADMM CCN(CC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)C(=O)[O-] ZINC000827089752 603582746 /nfs/dbraw/zinc/58/27/46/603582746.db2.gz TTZSIHCTFYADGY-QGZVFWFLSA-N -1 1 373.453 2.026 20 0 FEADMM CCN(CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)[C@H](C)C(C)C ZINC000827157003 603597386 /nfs/dbraw/zinc/59/73/86/603597386.db2.gz UASPBRJJQHLPPZ-LBTNJELSSA-N -1 1 368.478 2.059 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)C(C)(C)CNC(=O)[O-])N1CCCC1 ZINC000829591921 603616228 /nfs/dbraw/zinc/61/62/28/603616228.db2.gz ISIXMRVTKJSYHQ-OAHLLOKOSA-N -1 1 363.458 2.242 20 0 FEADMM CN(Cc1ccccc1)C(=O)CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000828382249 603852782 /nfs/dbraw/zinc/85/27/82/603852782.db2.gz CNHCOAXGKZPWDH-UHFFFAOYSA-N -1 1 353.422 2.475 20 0 FEADMM CCSCC[C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825669076 607657325 /nfs/dbraw/zinc/65/73/25/607657325.db2.gz PLPPHJDEVBCWLU-JTQLQIEISA-N -1 1 373.479 2.158 20 0 FEADMM C[C@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825075939 603891825 /nfs/dbraw/zinc/89/18/25/603891825.db2.gz OZVHSSODMUPPOG-AYVTZFPOSA-N -1 1 354.769 2.486 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)c2ccc(CNC(=O)[O-])o2)CN1Cc1ccccc1 ZINC000825852870 603967581 /nfs/dbraw/zinc/96/75/81/603967581.db2.gz RPDWXGUNSGIATG-DZGCQCFKSA-N -1 1 357.410 2.440 20 0 FEADMM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000831793177 603978247 /nfs/dbraw/zinc/97/82/47/603978247.db2.gz GZEGLVVVUCEIGV-UHFFFAOYSA-N -1 1 374.441 2.056 20 0 FEADMM CC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC000824822248 607669011 /nfs/dbraw/zinc/66/90/11/607669011.db2.gz BHNWBCZJDKGHDM-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1)c1ccco1 ZINC000827034639 604072581 /nfs/dbraw/zinc/07/25/81/604072581.db2.gz CNUZMWBKMBARSD-ZIAGYGMSSA-N -1 1 352.435 2.056 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CN2CCC[C@@H]2CN(C)C(=O)[O-])cc1 ZINC000827428876 604107363 /nfs/dbraw/zinc/10/73/63/604107363.db2.gz YWOUCCAHGUYYHD-MRXNPFEDSA-N -1 1 363.458 2.118 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000825217294 604113964 /nfs/dbraw/zinc/11/39/64/604113964.db2.gz DUOUCKDBHQUBNN-YDHLFZDLSA-N -1 1 368.503 2.429 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000825255401 604166329 /nfs/dbraw/zinc/16/63/29/604166329.db2.gz QREPRZSYSWVETI-ZFWWWQNUSA-N -1 1 351.422 2.152 20 0 FEADMM C[C@H](C(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000825200899 604225366 /nfs/dbraw/zinc/22/53/66/604225366.db2.gz IQPBGWCBLZYBFA-ZMSDIMECSA-N -1 1 359.470 2.328 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000825226740 604264579 /nfs/dbraw/zinc/26/45/79/604264579.db2.gz CIDAHEOOPROLBR-OCCSQVGLSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000825226740 604264581 /nfs/dbraw/zinc/26/45/81/604264581.db2.gz CIDAHEOOPROLBR-OCCSQVGLSA-N -1 1 372.429 2.049 20 0 FEADMM COc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)n[nH]2)cc1 ZINC000538504903 604279075 /nfs/dbraw/zinc/27/90/75/604279075.db2.gz WGXSPMJSXIVPPV-OAHLLOKOSA-N -1 1 373.409 2.181 20 0 FEADMM C[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824566404 604356952 /nfs/dbraw/zinc/35/69/52/604356952.db2.gz ZRJQOUZTHKWAFR-NCOADZHNSA-N -1 1 351.491 2.488 20 0 FEADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC000832041708 604465821 /nfs/dbraw/zinc/46/58/21/604465821.db2.gz YYXOCLCAVVKUDX-WMLDXEAASA-N -1 1 364.442 2.066 20 0 FEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC000832041709 604465947 /nfs/dbraw/zinc/46/59/47/604465947.db2.gz YYXOCLCAVVKUDX-YOEHRIQHSA-N -1 1 364.442 2.066 20 0 FEADMM Cc1nc(C)n([C@@H]2CCCN(Cc3c(C)nn(CCC(=O)[O-])c3C)C2)n1 ZINC000833755202 604638158 /nfs/dbraw/zinc/63/81/58/604638158.db2.gz DGBGAWDFVXPASI-MRXNPFEDSA-N -1 1 360.462 2.020 20 0 FEADMM Cc1cc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)n(-c2ccccc2F)n1 ZINC000832892998 604740504 /nfs/dbraw/zinc/74/05/04/604740504.db2.gz JJWHHLDNVVZHBQ-GFCCVEGCSA-N -1 1 374.416 2.443 20 0 FEADMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000768509138 604769936 /nfs/dbraw/zinc/76/99/36/604769936.db2.gz QBOXZNQXVBWHNB-UHFFFAOYSA-N -1 1 374.827 2.308 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC(CNC(=O)[O-])CC3)n[nH]2)c1 ZINC000829532255 604795057 /nfs/dbraw/zinc/79/50/57/604795057.db2.gz ZMMIMGJFIJQIQD-UHFFFAOYSA-N -1 1 358.398 2.205 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)C1CCCCC1 ZINC000826294830 607717442 /nfs/dbraw/zinc/71/74/42/607717442.db2.gz FNIXDQJNJIFJAQ-UHFFFAOYSA-N -1 1 352.398 2.034 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n[nH]2)cc1 ZINC000829234569 604834773 /nfs/dbraw/zinc/83/47/73/604834773.db2.gz QBOHMHVUAAKWJX-LBPRGKRZSA-N -1 1 358.398 2.157 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC(N(C)C(=O)[O-])CC3)n[nH]2)cc1 ZINC000829233472 604848515 /nfs/dbraw/zinc/84/85/15/604848515.db2.gz CAXLIKXTWYZIQP-UHFFFAOYSA-N -1 1 358.398 2.300 20 0 FEADMM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833536758 604895899 /nfs/dbraw/zinc/89/58/99/604895899.db2.gz DULGWZBEMZHBLC-SDBXPKJASA-N -1 1 372.208 2.296 20 0 FEADMM CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833462645 604896119 /nfs/dbraw/zinc/89/61/19/604896119.db2.gz GPOQQZWTNVCXMC-ZDUSSCGKSA-N -1 1 351.790 2.033 20 0 FEADMM CC(=O)c1cccc(OC[C@@H](O)CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000567478956 604951149 /nfs/dbraw/zinc/95/11/49/604951149.db2.gz HHAZNQHEDPWSCP-FXAWDEMLSA-N -1 1 369.417 2.313 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1C(=O)[O-])N1CCCC[C@H]1C ZINC000833615193 605017561 /nfs/dbraw/zinc/01/75/61/605017561.db2.gz KDPIHWRTAALETR-NEPJUHHUSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833612571 605026682 /nfs/dbraw/zinc/02/66/82/605026682.db2.gz VGSRCDAXYGWHNX-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM CCN1C[C@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])[C@@H](C)C1 ZINC000833655564 605041723 /nfs/dbraw/zinc/04/17/23/605041723.db2.gz DRIOEWOAEJFZSF-JQWIXIFHSA-N -1 1 368.480 2.218 20 0 FEADMM CCOc1ccc([C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833664206 605044406 /nfs/dbraw/zinc/04/44/06/605044406.db2.gz REQPMXBILWYPNZ-LSDHHAIUSA-N -1 1 363.458 2.337 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000833625027 605096431 /nfs/dbraw/zinc/09/64/31/605096431.db2.gz VSXLNAHLHUUJQG-KCXAZCMYSA-N -1 1 350.846 2.451 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830084264 605149464 /nfs/dbraw/zinc/14/94/64/605149464.db2.gz IKAPEUFHXQKHGS-HNNXBMFYSA-N -1 1 360.458 2.075 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(-c2cscn2)c1 ZINC000833624351 605168800 /nfs/dbraw/zinc/16/88/00/605168800.db2.gz HPBLQSWURNIMNV-ZDUSSCGKSA-N -1 1 359.451 2.431 20 0 FEADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833615015 605171243 /nfs/dbraw/zinc/17/12/43/605171243.db2.gz ZAOULZHHOXZRIB-LLVKDONJSA-N -1 1 360.863 2.048 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1C(C)(C)C ZINC000833628689 605200313 /nfs/dbraw/zinc/20/03/13/605200313.db2.gz NUUPOXWDHUUNPI-OAHLLOKOSA-N -1 1 361.486 2.403 20 0 FEADMM COCCN1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)C[C@@H]1C ZINC000833724582 605204899 /nfs/dbraw/zinc/20/48/99/605204899.db2.gz OFHXJIOAYFQQHR-WFASDCNBSA-N -1 1 371.275 2.227 20 0 FEADMM C[C@]1(NS(=O)(=O)c2c(F)cc(F)cc2F)CCCC[C@H]1C(=O)[O-] ZINC000833567941 605244249 /nfs/dbraw/zinc/24/42/49/605244249.db2.gz ATIUATUEECKBEU-XPTSAGLGSA-N -1 1 351.346 2.416 20 0 FEADMM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833544172 605251270 /nfs/dbraw/zinc/25/12/70/605251270.db2.gz ZAWMEZXKPPASPG-QWHCGFSZSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(F)cc2Br)CCN1CCC(=O)[O-] ZINC000833622829 605252087 /nfs/dbraw/zinc/25/20/87/605252087.db2.gz OKRCQBRZBPGSDL-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM CC(C)(C)C[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC000578885708 605298456 /nfs/dbraw/zinc/29/84/56/605298456.db2.gz IYEZYOOFXUIMNN-ZETCQYMHSA-N -1 1 360.379 2.487 20 0 FEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3cccc4nc[nH]c43)cc2C1 ZINC000834195618 605327958 /nfs/dbraw/zinc/32/79/58/605327958.db2.gz ZZETYMGTDMOPMK-LLVKDONJSA-N -1 1 351.366 2.335 20 0 FEADMM C[C@@H](CNC(=O)N1CC[C@H]([C@H](C)NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000833814135 605491556 /nfs/dbraw/zinc/49/15/56/605491556.db2.gz COSCWAVJYQOWKX-ZOBUZTSGSA-N -1 1 374.485 2.121 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC(C)C ZINC000826328563 607763605 /nfs/dbraw/zinc/76/36/05/607763605.db2.gz WCXXEHMUYCZJGO-NSHDSACASA-N -1 1 370.461 2.010 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC(C)C ZINC000826328563 607763606 /nfs/dbraw/zinc/76/36/06/607763606.db2.gz WCXXEHMUYCZJGO-NSHDSACASA-N -1 1 370.461 2.010 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000834125337 605600852 /nfs/dbraw/zinc/60/08/52/605600852.db2.gz DJSJQOLKHFFNAU-HNNXBMFYSA-N -1 1 365.393 2.487 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000834125337 605600856 /nfs/dbraw/zinc/60/08/56/605600856.db2.gz DJSJQOLKHFFNAU-HNNXBMFYSA-N -1 1 365.393 2.487 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2C)cn1 ZINC000833881221 605627625 /nfs/dbraw/zinc/62/76/25/605627625.db2.gz WHPIXULOCHYKLC-UHFFFAOYSA-N -1 1 365.367 2.067 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(NC2CCC(NC(=O)[O-])CC2)c1 ZINC000833982417 605695016 /nfs/dbraw/zinc/69/50/16/605695016.db2.gz UQMXYETXJGVDIQ-DQPZFDDXSA-N -1 1 360.458 2.127 20 0 FEADMM O=C([O-])N1CC(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000834069354 605737903 /nfs/dbraw/zinc/73/79/03/605737903.db2.gz WLVLHCFGIOYXHC-UHFFFAOYSA-N -1 1 356.213 2.274 20 0 FEADMM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000833982961 605762172 /nfs/dbraw/zinc/76/21/72/605762172.db2.gz CVSJTWJNKUQBCV-CQSZACIVSA-N -1 1 373.413 2.061 20 0 FEADMM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000833982960 605762643 /nfs/dbraw/zinc/76/26/43/605762643.db2.gz CVSJTWJNKUQBCV-AWEZNQCLSA-N -1 1 373.413 2.061 20 0 FEADMM O=C([O-])NCCCC(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000834231350 605782839 /nfs/dbraw/zinc/78/28/39/605782839.db2.gz GJOFXYIGYJTACB-UHFFFAOYSA-N -1 1 356.176 2.416 20 0 FEADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(-n3cncn3)nc2)c2ccccc21 ZINC000834157260 605791928 /nfs/dbraw/zinc/79/19/28/605791928.db2.gz HIASJGHZLMXKPD-JKSUJKDBSA-N -1 1 350.382 2.206 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830031260 605806636 /nfs/dbraw/zinc/80/66/36/605806636.db2.gz ULOQNLQBYNGPIS-AWEZNQCLSA-N -1 1 370.453 2.477 20 0 FEADMM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000834121318 605834711 /nfs/dbraw/zinc/83/47/11/605834711.db2.gz XSLAPRQVQNPUJS-IXDOHACOSA-N -1 1 357.414 2.227 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)ccc1NC(=O)[O-] ZINC000829966011 605876228 /nfs/dbraw/zinc/87/62/28/605876228.db2.gz OOORDYUEDKCLSZ-UHFFFAOYSA-N -1 1 369.425 2.484 20 0 FEADMM Cc1cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)ccc1NC(=O)[O-] ZINC000829929661 605878814 /nfs/dbraw/zinc/87/88/14/605878814.db2.gz APWUAHNNEYFCFK-MRXNPFEDSA-N -1 1 361.442 2.412 20 0 FEADMM O=C([O-])NC[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000834206722 605965026 /nfs/dbraw/zinc/96/50/26/605965026.db2.gz NLOYDNXKDPMPEJ-SJORKVTESA-N -1 1 362.451 2.315 20 0 FEADMM O=C([O-])N1CC[C@](F)(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834083099 605971826 /nfs/dbraw/zinc/97/18/26/605971826.db2.gz HBFGGLHNUKJZGT-FZKQIMNGSA-N -1 1 373.388 2.227 20 0 FEADMM CCCNC(=O)CN[C@H](c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833856133 605981832 /nfs/dbraw/zinc/98/18/32/605981832.db2.gz XXBXZCQYTZDVBQ-QGZVFWFLSA-N -1 1 351.422 2.373 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)o1 ZINC000834248730 605997788 /nfs/dbraw/zinc/99/77/88/605997788.db2.gz IGXKOEVYPWYJAE-UHFFFAOYSA-N -1 1 373.409 2.256 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000834160279 606016209 /nfs/dbraw/zinc/01/62/09/606016209.db2.gz CCSLRMAVFFBEKR-QSFKDOLUSA-N -1 1 364.490 2.081 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000834160279 606016212 /nfs/dbraw/zinc/01/62/12/606016212.db2.gz CCSLRMAVFFBEKR-QSFKDOLUSA-N -1 1 364.490 2.081 20 0 FEADMM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000559071507 674526894 /nfs/dbraw/zinc/52/68/94/674526894.db2.gz RTSFQEDDVBRASZ-WDEREUQCSA-N -1 1 369.409 2.311 20 0 FEADMM O=C(CCOC1CN(C(=O)[O-])C1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000833992830 606082332 /nfs/dbraw/zinc/08/23/32/606082332.db2.gz KFTCRAMSBGIZBE-HNNXBMFYSA-N -1 1 374.397 2.122 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000820512063 606137274 /nfs/dbraw/zinc/13/72/74/606137274.db2.gz GEKPYJYXFIQYIX-VWYCJHECSA-N -1 1 363.443 2.168 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000820512063 606137275 /nfs/dbraw/zinc/13/72/75/606137275.db2.gz GEKPYJYXFIQYIX-VWYCJHECSA-N -1 1 363.443 2.168 20 0 FEADMM Cc1ccc(N2CC[C@H](OC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000822240883 606137658 /nfs/dbraw/zinc/13/76/58/606137658.db2.gz CNRNFKYZWVEAGF-LBPRGKRZSA-N -1 1 369.406 2.199 20 0 FEADMM Cc1ccc(N2CC[C@H](OC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000822240883 606137660 /nfs/dbraw/zinc/13/76/60/606137660.db2.gz CNRNFKYZWVEAGF-LBPRGKRZSA-N -1 1 369.406 2.199 20 0 FEADMM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821596906 606157269 /nfs/dbraw/zinc/15/72/69/606157269.db2.gz YEPCLVZOMIRVFU-UHFFFAOYSA-N -1 1 370.461 2.280 20 0 FEADMM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821596906 606157270 /nfs/dbraw/zinc/15/72/70/606157270.db2.gz YEPCLVZOMIRVFU-UHFFFAOYSA-N -1 1 370.461 2.280 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccccc2)C2CCC2)n1 ZINC000822609352 606167129 /nfs/dbraw/zinc/16/71/29/606167129.db2.gz MQPDGFUUIJMOEN-CQSZACIVSA-N -1 1 352.402 2.263 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccccc2)C2CCC2)n1 ZINC000822609352 606167130 /nfs/dbraw/zinc/16/71/30/606167130.db2.gz MQPDGFUUIJMOEN-CQSZACIVSA-N -1 1 352.402 2.263 20 0 FEADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820915209 606168275 /nfs/dbraw/zinc/16/82/75/606168275.db2.gz TVSUKICBSDPATQ-CQSZACIVSA-N -1 1 368.445 2.394 20 0 FEADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820915209 606168276 /nfs/dbraw/zinc/16/82/76/606168276.db2.gz TVSUKICBSDPATQ-CQSZACIVSA-N -1 1 368.445 2.394 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCSc3c(F)cccc32)n1 ZINC000822614979 606169286 /nfs/dbraw/zinc/16/92/86/606169286.db2.gz YPNCRDUAQGEABH-LLVKDONJSA-N -1 1 374.405 2.098 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCSc3c(F)cccc32)n1 ZINC000822614979 606169287 /nfs/dbraw/zinc/16/92/87/606169287.db2.gz YPNCRDUAQGEABH-LLVKDONJSA-N -1 1 374.405 2.098 20 0 FEADMM O=C(CCCc1nc2ccccc2[nH]1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822959101 606294547 /nfs/dbraw/zinc/29/45/47/606294547.db2.gz RMVRCXCGOZLBMP-UHFFFAOYSA-N -1 1 363.381 2.410 20 0 FEADMM Cc1ccn(-c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)n1 ZINC000822369900 606296631 /nfs/dbraw/zinc/29/66/31/606296631.db2.gz OMBJMPFQEXJMFV-UHFFFAOYSA-N -1 1 361.365 2.319 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2c([nH]c1=O)CCCCC2 ZINC000823294840 606297164 /nfs/dbraw/zinc/29/71/64/606297164.db2.gz UEWOKPSRZSRLAA-UHFFFAOYSA-N -1 1 366.381 2.194 20 0 FEADMM CCc1noc(C)c1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810199125 674536512 /nfs/dbraw/zinc/53/65/12/674536512.db2.gz PZDVDEKDTLFLIY-JTQLQIEISA-N -1 1 362.352 2.468 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000822486593 606392146 /nfs/dbraw/zinc/39/21/46/606392146.db2.gz PVMRQXPORQCYDE-LSDHHAIUSA-N -1 1 364.409 2.450 20 0 FEADMM COCCOc1ccccc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000821693913 606470327 /nfs/dbraw/zinc/47/03/27/606470327.db2.gz ULEGCQZYKPVNQE-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM CCCNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821119139 606516591 /nfs/dbraw/zinc/51/65/91/606516591.db2.gz VLZOITHVKTUNKR-UHFFFAOYSA-N -1 1 356.411 2.320 20 0 FEADMM CCCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821119139 606516592 /nfs/dbraw/zinc/51/65/92/606516592.db2.gz VLZOITHVKTUNKR-UHFFFAOYSA-N -1 1 356.411 2.320 20 0 FEADMM COc1ccc(NC(C)=O)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821835131 606531421 /nfs/dbraw/zinc/53/14/21/606531421.db2.gz DZQUQYRIRZMSTP-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM COc1ccc(NC(C)=O)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821835131 606531423 /nfs/dbraw/zinc/53/14/23/606531423.db2.gz DZQUQYRIRZMSTP-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000819957804 606541967 /nfs/dbraw/zinc/54/19/67/606541967.db2.gz FABHUFRXGNHMAM-JTQLQIEISA-N -1 1 371.470 2.167 20 0 FEADMM CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000819957804 606541968 /nfs/dbraw/zinc/54/19/68/606541968.db2.gz FABHUFRXGNHMAM-JTQLQIEISA-N -1 1 371.470 2.167 20 0 FEADMM C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820813360 606598522 /nfs/dbraw/zinc/59/85/22/606598522.db2.gz FHBDMPIMLSGCOJ-NSHDSACASA-N -1 1 370.438 2.406 20 0 FEADMM C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820813360 606598524 /nfs/dbraw/zinc/59/85/24/606598524.db2.gz FHBDMPIMLSGCOJ-NSHDSACASA-N -1 1 370.438 2.406 20 0 FEADMM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820937791 606647123 /nfs/dbraw/zinc/64/71/23/606647123.db2.gz DBJYRHGUPVZYNT-MRXNPFEDSA-N -1 1 353.382 2.471 20 0 FEADMM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820937791 606647124 /nfs/dbraw/zinc/64/71/24/606647124.db2.gz DBJYRHGUPVZYNT-MRXNPFEDSA-N -1 1 353.382 2.471 20 0 FEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)oc2c1C(=O)CCC2 ZINC000822020828 606647268 /nfs/dbraw/zinc/64/72/68/606647268.db2.gz KJFPMPLVORXFLH-UHFFFAOYSA-N -1 1 353.338 2.039 20 0 FEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)oc2c1C(=O)CCC2 ZINC000822020828 606647269 /nfs/dbraw/zinc/64/72/69/606647269.db2.gz KJFPMPLVORXFLH-UHFFFAOYSA-N -1 1 353.338 2.039 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1nc(Cl)ccc1Cl ZINC000823440178 606653731 /nfs/dbraw/zinc/65/37/31/606653731.db2.gz GILAGIHNANRAGK-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1nc(Cl)ccc1Cl ZINC000823440178 606653732 /nfs/dbraw/zinc/65/37/32/606653732.db2.gz GILAGIHNANRAGK-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2O1 ZINC000820589817 606745120 /nfs/dbraw/zinc/74/51/20/606745120.db2.gz NHRLKFOGJWPNEX-AWEZNQCLSA-N -1 1 350.382 2.294 20 0 FEADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2O1 ZINC000820589817 606745122 /nfs/dbraw/zinc/74/51/22/606745122.db2.gz NHRLKFOGJWPNEX-AWEZNQCLSA-N -1 1 350.382 2.294 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1CCSC1 ZINC000822541657 606801571 /nfs/dbraw/zinc/80/15/71/606801571.db2.gz PGQDPNZINKSDCG-LLVKDONJSA-N -1 1 359.411 2.469 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1CCSC1 ZINC000822541657 606801573 /nfs/dbraw/zinc/80/15/73/606801573.db2.gz PGQDPNZINKSDCG-LLVKDONJSA-N -1 1 359.411 2.469 20 0 FEADMM Cc1nnc(-c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)o1 ZINC000822505768 607020303 /nfs/dbraw/zinc/02/03/03/607020303.db2.gz VNEVGCPRXXQXLL-UHFFFAOYSA-N -1 1 363.337 2.183 20 0 FEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1C1CCCCC1 ZINC000823520870 607043754 /nfs/dbraw/zinc/04/37/54/607043754.db2.gz OCRGYOKJTMAVLB-SNVBAGLBSA-N -1 1 361.837 2.261 20 0 FEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1C1CCCCC1 ZINC000823520870 607043756 /nfs/dbraw/zinc/04/37/56/607043756.db2.gz OCRGYOKJTMAVLB-SNVBAGLBSA-N -1 1 361.837 2.261 20 0 FEADMM C[C@@H](O)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820473838 607060163 /nfs/dbraw/zinc/06/01/63/607060163.db2.gz MRULNKDIQPUXSV-DGCLKSJQSA-N -1 1 357.439 2.213 20 0 FEADMM C[C@@H](O)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820473838 607060164 /nfs/dbraw/zinc/06/01/64/607060164.db2.gz MRULNKDIQPUXSV-DGCLKSJQSA-N -1 1 357.439 2.213 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC2CCC1CC2 ZINC000822004786 607167430 /nfs/dbraw/zinc/16/74/30/607167430.db2.gz KNVQJINDIIXZRD-SSDMNJCBSA-N -1 1 370.457 2.212 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735632283 607235161 /nfs/dbraw/zinc/23/51/61/607235161.db2.gz AJQZHZZDSLRJDB-VIFPVBQESA-N -1 1 365.825 2.019 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735632283 607235162 /nfs/dbraw/zinc/23/51/62/607235162.db2.gz AJQZHZZDSLRJDB-VIFPVBQESA-N -1 1 365.825 2.019 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826473003 607837794 /nfs/dbraw/zinc/83/77/94/607837794.db2.gz GKTTYGBSZPEUEY-UHFFFAOYSA-N -1 1 350.382 2.067 20 0 FEADMM CC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2-c2nnn[n-]2)c1C ZINC000824010676 607865920 /nfs/dbraw/zinc/86/59/20/607865920.db2.gz PULSNMONFHHSLP-UHFFFAOYSA-N -1 1 357.345 2.415 20 0 FEADMM CC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2-c2nn[n-]n2)c1C ZINC000824010676 607865921 /nfs/dbraw/zinc/86/59/21/607865921.db2.gz PULSNMONFHHSLP-UHFFFAOYSA-N -1 1 357.345 2.415 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000826395216 607866551 /nfs/dbraw/zinc/86/65/51/607866551.db2.gz RZKJWZIOFGVHME-UHFFFAOYSA-N -1 1 366.772 2.049 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(F)cc1F ZINC000826272394 607866920 /nfs/dbraw/zinc/86/69/20/607866920.db2.gz GZBHGBJLHIDDAU-UHFFFAOYSA-N -1 1 370.312 2.360 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(F)cc1F ZINC000826272394 607866921 /nfs/dbraw/zinc/86/69/21/607866921.db2.gz GZBHGBJLHIDDAU-UHFFFAOYSA-N -1 1 370.312 2.360 20 0 FEADMM CC(=O)c1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824030203 607874491 /nfs/dbraw/zinc/87/44/91/607874491.db2.gz ZFLOTHIBUKAZQV-CYBMUJFWSA-N -1 1 372.356 2.027 20 0 FEADMM CC(=O)c1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824030203 607874492 /nfs/dbraw/zinc/87/44/92/607874492.db2.gz ZFLOTHIBUKAZQV-CYBMUJFWSA-N -1 1 372.356 2.027 20 0 FEADMM Cc1cccc(C)c1OC[C@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826296674 607874810 /nfs/dbraw/zinc/87/48/10/607874810.db2.gz FMVXCAORMVQNGW-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM Cc1cccc(C)c1OC[C@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826296674 607874811 /nfs/dbraw/zinc/87/48/11/607874811.db2.gz FMVXCAORMVQNGW-CYBMUJFWSA-N -1 1 358.373 2.441 20 0 FEADMM CCN(CC)C(=O)[C@@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825399496 607933840 /nfs/dbraw/zinc/93/38/40/607933840.db2.gz VVIHXJRWBGCBDR-MRXNPFEDSA-N -1 1 365.441 2.153 20 0 FEADMM CCN(CC)C(=O)[C@@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825399496 607933841 /nfs/dbraw/zinc/93/38/41/607933841.db2.gz VVIHXJRWBGCBDR-MRXNPFEDSA-N -1 1 365.441 2.153 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000824025059 607982493 /nfs/dbraw/zinc/98/24/93/607982493.db2.gz UHLNWPBBWYDPGT-UHFFFAOYSA-N -1 1 357.395 2.179 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc(-c2cccnc2)s1 ZINC000826450993 608076002 /nfs/dbraw/zinc/07/60/02/608076002.db2.gz LSKQVFXDRJGMRJ-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM Fc1cc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ccc1Cl ZINC000826372711 608150243 /nfs/dbraw/zinc/15/02/43/608150243.db2.gz IKZRGYBHTUPBTR-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM Fc1cc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ccc1Cl ZINC000826372711 608150245 /nfs/dbraw/zinc/15/02/45/608150245.db2.gz IKZRGYBHTUPBTR-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM c1nc(CSCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826519482 608156735 /nfs/dbraw/zinc/15/67/35/608156735.db2.gz ADBFAEIECNPWIU-UHFFFAOYSA-N -1 1 350.411 2.276 20 0 FEADMM c1nc(CSCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826519482 608156736 /nfs/dbraw/zinc/15/67/36/608156736.db2.gz ADBFAEIECNPWIU-UHFFFAOYSA-N -1 1 350.411 2.276 20 0 FEADMM Cc1cnc([C@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)o1 ZINC000826317436 608169064 /nfs/dbraw/zinc/16/90/64/608169064.db2.gz CUHVXRVMMGVUNY-NSHDSACASA-N -1 1 372.385 2.118 20 0 FEADMM O=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826460913 608181499 /nfs/dbraw/zinc/18/14/99/608181499.db2.gz XVLOCEDUZOWTMR-GQCTYLIASA-N -1 1 366.366 2.129 20 0 FEADMM O=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826460913 608181500 /nfs/dbraw/zinc/18/15/00/608181500.db2.gz XVLOCEDUZOWTMR-GQCTYLIASA-N -1 1 366.366 2.129 20 0 FEADMM C[C@H](CO)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824440471 608204086 /nfs/dbraw/zinc/20/40/86/608204086.db2.gz CNAINJNOJDEVEC-LLVKDONJSA-N -1 1 371.372 2.251 20 0 FEADMM C[C@H](CO)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824440471 608204087 /nfs/dbraw/zinc/20/40/87/608204087.db2.gz CNAINJNOJDEVEC-LLVKDONJSA-N -1 1 371.372 2.251 20 0 FEADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1CC(F)F ZINC000825212215 608235288 /nfs/dbraw/zinc/23/52/88/608235288.db2.gz QEFAREKTRNEITL-SECBINFHSA-N -1 1 357.796 2.081 20 0 FEADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1CC(F)F ZINC000825212215 608235289 /nfs/dbraw/zinc/23/52/89/608235289.db2.gz QEFAREKTRNEITL-SECBINFHSA-N -1 1 357.796 2.081 20 0 FEADMM FC(F)CN1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000826369592 608302781 /nfs/dbraw/zinc/30/27/81/608302781.db2.gz JGMOEVRJTYCXKF-UHFFFAOYSA-N -1 1 359.384 2.192 20 0 FEADMM FC(F)CN1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000826369592 608302784 /nfs/dbraw/zinc/30/27/84/608302784.db2.gz JGMOEVRJTYCXKF-UHFFFAOYSA-N -1 1 359.384 2.192 20 0 FEADMM O=C(OCCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([O-])cc1F ZINC000826463372 608321499 /nfs/dbraw/zinc/32/14/99/608321499.db2.gz CJTKLQYKSOHPQS-UHFFFAOYSA-N -1 1 358.329 2.337 20 0 FEADMM Cn1ccnc1[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC000826363854 608392389 /nfs/dbraw/zinc/39/23/89/608392389.db2.gz DJLZNAWNDWIQHK-AWEZNQCLSA-N -1 1 367.804 2.245 20 0 FEADMM Cn1ccnc1[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC000826363854 608392391 /nfs/dbraw/zinc/39/23/91/608392391.db2.gz DJLZNAWNDWIQHK-AWEZNQCLSA-N -1 1 367.804 2.245 20 0 FEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650413 608409754 /nfs/dbraw/zinc/40/97/54/608409754.db2.gz RNUQCOFCEAIVCT-NEPJUHHUSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650413 608409756 /nfs/dbraw/zinc/40/97/56/608409756.db2.gz RNUQCOFCEAIVCT-NEPJUHHUSA-N -1 1 374.449 2.104 20 0 FEADMM Clc1ccccc1N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826353304 608423344 /nfs/dbraw/zinc/42/33/44/608423344.db2.gz JXQWJHAPEXUTJZ-LLVKDONJSA-N -1 1 356.821 2.391 20 0 FEADMM Clc1ccccc1N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826353304 608423347 /nfs/dbraw/zinc/42/33/47/608423347.db2.gz JXQWJHAPEXUTJZ-LLVKDONJSA-N -1 1 356.821 2.391 20 0 FEADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1c(Cl)cccc1Cl ZINC000826502630 608423772 /nfs/dbraw/zinc/42/37/72/608423772.db2.gz HJLKUIWQRUQNNF-JTQLQIEISA-N -1 1 352.185 2.109 20 0 FEADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1c(Cl)cccc1Cl ZINC000826502630 608423773 /nfs/dbraw/zinc/42/37/73/608423773.db2.gz HJLKUIWQRUQNNF-JTQLQIEISA-N -1 1 352.185 2.109 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000826341088 608476000 /nfs/dbraw/zinc/47/60/00/608476000.db2.gz WBKDVDYWAWLAOZ-GHMZBOCLSA-N -1 1 370.413 2.245 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000826341088 608476001 /nfs/dbraw/zinc/47/60/01/608476001.db2.gz WBKDVDYWAWLAOZ-GHMZBOCLSA-N -1 1 370.413 2.245 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000826280253 608542050 /nfs/dbraw/zinc/54/20/50/608542050.db2.gz UKDOUFVHKPUCBX-UHFFFAOYSA-N -1 1 363.425 2.425 20 0 FEADMM CC(C)(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)OCc1ccccc1 ZINC000824129656 609172297 /nfs/dbraw/zinc/17/22/97/609172297.db2.gz DBGVYEPUZSDTHD-OAHLLOKOSA-N -1 1 367.413 2.227 20 0 FEADMM CC(C)(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)OCc1ccccc1 ZINC000824129656 609172299 /nfs/dbraw/zinc/17/22/99/609172299.db2.gz DBGVYEPUZSDTHD-OAHLLOKOSA-N -1 1 367.413 2.227 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCCS1 ZINC000826458356 609290062 /nfs/dbraw/zinc/29/00/62/609290062.db2.gz MQWQYGDPWPZZOW-NSHDSACASA-N -1 1 359.390 2.026 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC(F)(F)C1 ZINC000826458247 609290227 /nfs/dbraw/zinc/29/02/27/609290227.db2.gz IYWUYNVDNCAFKC-UHFFFAOYSA-N -1 1 363.303 2.175 20 0 FEADMM Fc1ccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1Cl ZINC000826375595 609318302 /nfs/dbraw/zinc/31/83/02/609318302.db2.gz UHTBVIKXPFKWLW-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM Fc1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1Cl ZINC000826375595 609318304 /nfs/dbraw/zinc/31/83/04/609318304.db2.gz UHTBVIKXPFKWLW-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM C[C@H]1C[C@@H](CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824883506 609319458 /nfs/dbraw/zinc/31/94/58/609319458.db2.gz HTBDATMHDRKDJF-RYUDHWBXSA-N -1 1 357.393 2.419 20 0 FEADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000826492837 609342485 /nfs/dbraw/zinc/34/24/85/609342485.db2.gz GXJQDDXVWDZSKA-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM COc1cc(Br)ccc1CCCn1ccnc1-c1nnn[n-]1 ZINC000826177019 609490049 /nfs/dbraw/zinc/49/00/49/609490049.db2.gz OCOJXQJIXACLGH-UHFFFAOYSA-N -1 1 363.219 2.467 20 0 FEADMM COc1cc(Br)ccc1CCCn1ccnc1-c1nn[n-]n1 ZINC000826177019 609490051 /nfs/dbraw/zinc/49/00/51/609490051.db2.gz OCOJXQJIXACLGH-UHFFFAOYSA-N -1 1 363.219 2.467 20 0 FEADMM Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810698559 674557639 /nfs/dbraw/zinc/55/76/39/674557639.db2.gz DTEMHVZPGFQFRR-QGZVFWFLSA-N -1 1 356.463 2.154 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1CCC(=O)c2cccn21 ZINC000559983202 674563065 /nfs/dbraw/zinc/56/30/65/674563065.db2.gz CIHUGUJOGIHTFG-CQSZACIVSA-N -1 1 365.386 2.155 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccccc1 ZINC000560041424 674565131 /nfs/dbraw/zinc/56/51/31/674565131.db2.gz RKWHFVFHWUYXOH-LLVKDONJSA-N -1 1 370.833 2.462 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccccc1 ZINC000560041428 674565181 /nfs/dbraw/zinc/56/51/81/674565181.db2.gz RKWHFVFHWUYXOH-NSHDSACASA-N -1 1 370.833 2.462 20 0 FEADMM Cc1oc(C2CC2)nc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810905990 674567987 /nfs/dbraw/zinc/56/79/87/674567987.db2.gz HKTNHMYMQLKNGN-SNVBAGLBSA-N -1 1 359.348 2.391 20 0 FEADMM CCOc1cccnc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812274878 674660747 /nfs/dbraw/zinc/66/07/47/674660747.db2.gz LJRXMOKMGIQHEO-NSHDSACASA-N -1 1 359.348 2.011 20 0 FEADMM CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000562497230 674762685 /nfs/dbraw/zinc/76/26/85/674762685.db2.gz BIOGDGADMILGBW-CHWSQXEVSA-N -1 1 364.471 2.247 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000644571319 677245995 /nfs/dbraw/zinc/24/59/95/677245995.db2.gz MMGDQDMUHVTCMO-ZETCQYMHSA-N -1 1 361.288 2.205 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c(F)c1 ZINC000562920684 674822633 /nfs/dbraw/zinc/82/26/33/674822633.db2.gz IZQPQYWOSDMNOI-UHFFFAOYSA-N -1 1 355.391 2.335 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCC2CCOCC2)o1 ZINC000814440042 674847675 /nfs/dbraw/zinc/84/76/75/674847675.db2.gz BDQXBJNMOJYOPZ-UHFFFAOYSA-N -1 1 359.444 2.330 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)no1 ZINC000563294710 674869548 /nfs/dbraw/zinc/86/95/48/674869548.db2.gz CXPSZOUGZUUOTE-UHFFFAOYSA-N -1 1 359.407 2.194 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)N1CCc2ccccc21 ZINC000564231288 674986787 /nfs/dbraw/zinc/98/67/87/674986787.db2.gz AWJRVVYNYGFUMH-UHFFFAOYSA-N -1 1 368.817 2.347 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1nc(C2CC2)ns1 ZINC001048643577 675012695 /nfs/dbraw/zinc/01/26/95/675012695.db2.gz OVHFHSUJIKZECO-NWDGAFQWSA-N -1 1 359.455 2.303 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1nccc(SC)n1 ZINC001048643511 675012742 /nfs/dbraw/zinc/01/27/42/675012742.db2.gz MTYCDWWHBDENEC-NWDGAFQWSA-N -1 1 359.455 2.086 20 0 FEADMM CCOC(=O)c1cnccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000564568711 675038834 /nfs/dbraw/zinc/03/88/34/675038834.db2.gz XZIOTSFFXYKOLN-UHFFFAOYSA-N -1 1 372.805 2.415 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000564688731 675052285 /nfs/dbraw/zinc/05/22/85/675052285.db2.gz ZSBBCXZFNIQMOY-CQSZACIVSA-N -1 1 351.403 2.619 20 0 FEADMM CCC(Nc1cc(F)ccc1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009769890 669984204 /nfs/dbraw/zinc/98/42/04/669984204.db2.gz OEAIPTIPCBOWSB-OWBHPGMISA-N -1 1 365.430 2.100 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1F ZINC000025510117 670062738 /nfs/dbraw/zinc/06/27/38/670062738.db2.gz MCVRHJGNJCXSHK-UHFFFAOYSA-N -1 1 363.370 2.080 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c1Cl ZINC000027957086 670084318 /nfs/dbraw/zinc/08/43/18/670084318.db2.gz HJBJAPFXEAVUTR-UHFFFAOYSA-N -1 1 351.762 2.153 20 0 FEADMM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC#N)cc2)cc1 ZINC000028119958 670086917 /nfs/dbraw/zinc/08/69/17/670086917.db2.gz GWTDCSMXNHPNLM-GFCCVEGCSA-N -1 1 360.391 2.221 20 0 FEADMM CC(C)C(=O)N[N-]C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000032196392 670126452 /nfs/dbraw/zinc/12/64/52/670126452.db2.gz KAAYXXPEHUBAJL-UHFFFAOYSA-N -1 1 351.204 2.256 20 0 FEADMM CC(C)S(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)c1ccccc1F ZINC000032661205 670130896 /nfs/dbraw/zinc/13/08/96/670130896.db2.gz YPZGBJHADKANOD-UHFFFAOYSA-N -1 1 364.398 2.083 20 0 FEADMM Cc1cnc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)nc1 ZINC000042089459 670157006 /nfs/dbraw/zinc/15/70/06/670157006.db2.gz HUPSRWCSUUFIOY-UHFFFAOYSA-N -1 1 353.350 2.435 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccco3)n2)o1 ZINC000042264260 670160603 /nfs/dbraw/zinc/16/06/03/670160603.db2.gz CRLFGMLNCGHUOT-UHFFFAOYSA-N -1 1 368.392 2.261 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000816908688 675085628 /nfs/dbraw/zinc/08/56/28/675085628.db2.gz NZPKSKTWHJKSEB-RYUDHWBXSA-N -1 1 353.394 2.173 20 0 FEADMM COc1ccc(NC(=O)CCOc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000044036192 670182773 /nfs/dbraw/zinc/18/27/73/670182773.db2.gz WWQCCBNGYOQCOZ-UHFFFAOYSA-N -1 1 364.423 2.474 20 0 FEADMM CC(C)[C@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)N1CCN(C)CC1 ZINC000816939192 675088644 /nfs/dbraw/zinc/08/86/44/675088644.db2.gz WHNOEOUMVCSPJW-HNNXBMFYSA-N -1 1 362.499 2.118 20 0 FEADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1 ZINC000564971697 675083545 /nfs/dbraw/zinc/08/35/45/675083545.db2.gz CLJQBANWSRNNQH-WBMJQRKESA-N -1 1 354.472 2.382 20 0 FEADMM O=C([N-]S(=O)(=O)c1cccc2nsnc21)c1cccc2cn[nH]c21 ZINC000048639815 670270785 /nfs/dbraw/zinc/27/07/85/670270785.db2.gz FZDVWSIOHANSDS-UHFFFAOYSA-N -1 1 359.392 2.261 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000050531180 670286169 /nfs/dbraw/zinc/28/61/69/670286169.db2.gz ATOOBIMCZHHPDQ-UHFFFAOYSA-N -1 1 365.367 2.073 20 0 FEADMM COc1cccc(SCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000051726696 670303147 /nfs/dbraw/zinc/30/31/47/670303147.db2.gz LVMDLRIDCUMWEV-UHFFFAOYSA-N -1 1 359.403 2.287 20 0 FEADMM O=C([N-]NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccn1 ZINC000057410705 670368593 /nfs/dbraw/zinc/36/85/93/670368593.db2.gz SQUHAQMNSUFUDG-UHFFFAOYSA-N -1 1 353.403 2.372 20 0 FEADMM COCCN1C(=O)C(=CNc2cccc(Cl)c2Cl)C(=O)[N-]C1=S ZINC000060862045 670390039 /nfs/dbraw/zinc/39/00/39/670390039.db2.gz OIQYTPYFBVOPCX-FPLPWBNLSA-N -1 1 374.249 2.179 20 0 FEADMM Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060861239 670390243 /nfs/dbraw/zinc/39/02/43/670390243.db2.gz LUVRNRCGADWBDE-GHXNOFRVSA-N -1 1 362.411 2.098 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C)OC ZINC000817139074 675102848 /nfs/dbraw/zinc/10/28/48/675102848.db2.gz WCZQTFWUYKHIDC-HZPDHXFCSA-N -1 1 371.499 2.489 20 0 FEADMM CCN(CC)C(=O)c1ccc(C(=O)NCc2n[n-]c(=S)n2CC)cc1 ZINC000066635948 670445124 /nfs/dbraw/zinc/44/51/24/670445124.db2.gz RRWAGRNJXOTDJX-UHFFFAOYSA-N -1 1 361.471 2.373 20 0 FEADMM CCn1c(CNC(=O)c2cnc3c(cnn3CC(C)C)c2)n[n-]c1=S ZINC000066636145 670445326 /nfs/dbraw/zinc/44/53/26/670445326.db2.gz WFBZRVVLVBYUMA-UHFFFAOYSA-N -1 1 359.459 2.291 20 0 FEADMM COc1ccc(CC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1[N+](=O)[O-] ZINC000066638407 670445799 /nfs/dbraw/zinc/44/57/99/670445799.db2.gz XBARPTZBZABPFH-UHFFFAOYSA-N -1 1 363.399 2.051 20 0 FEADMM CCn1c(CCNC(=O)[C@H](C)NC(=O)CC2CCCCC2)n[n-]c1=S ZINC000067077684 670452858 /nfs/dbraw/zinc/45/28/58/670452858.db2.gz GECJCWIVZGIRBV-LBPRGKRZSA-N -1 1 367.519 2.094 20 0 FEADMM COc1ccc(O[C@@H](C)C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067093188 670453432 /nfs/dbraw/zinc/45/34/32/670453432.db2.gz ZEKNZRNJIANLBM-NSHDSACASA-N -1 1 362.455 2.410 20 0 FEADMM CCONC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000067511634 670458593 /nfs/dbraw/zinc/45/85/93/670458593.db2.gz DBFGUZNAFQVHSA-UHFFFAOYSA-N -1 1 356.350 2.447 20 0 FEADMM CCCNC(=O)N[N-]C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000068932029 670477613 /nfs/dbraw/zinc/47/76/13/670477613.db2.gz AXXSQTSBGQPZAR-UHFFFAOYSA-N -1 1 366.219 2.193 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC000073463282 670502956 /nfs/dbraw/zinc/50/29/56/670502956.db2.gz UKDRVHNWAGYLKW-UHFFFAOYSA-N -1 1 351.834 2.409 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)OC ZINC000569054964 670504322 /nfs/dbraw/zinc/50/43/22/670504322.db2.gz UIMAMBMGQNUQLH-SECBINFHSA-N -1 1 370.254 2.483 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)s1 ZINC000079629396 670608294 /nfs/dbraw/zinc/60/82/94/670608294.db2.gz HVQNANJBSPSJDM-ZDUSSCGKSA-N -1 1 362.842 2.053 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000569889180 670628396 /nfs/dbraw/zinc/62/83/96/670628396.db2.gz PGZFCAMNRHBCNA-UHFFFAOYSA-N -1 1 350.296 2.299 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NNC(=O)CCCc1cccs1 ZINC000081720967 670648284 /nfs/dbraw/zinc/64/82/84/670648284.db2.gz JWQQCJRCVKPMRD-UHFFFAOYSA-N -1 1 362.455 2.047 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000570103276 670661312 /nfs/dbraw/zinc/66/13/12/670661312.db2.gz LPXZYTLQTMOYKF-SECBINFHSA-N -1 1 365.377 2.396 20 0 FEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000084318450 670667236 /nfs/dbraw/zinc/66/72/36/670667236.db2.gz JMSUXYADLPFMAP-UHFFFAOYSA-N -1 1 355.493 2.474 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)s1 ZINC000088359837 670691262 /nfs/dbraw/zinc/69/12/62/670691262.db2.gz XVCBKEHNZNOYKK-GOEBONIOSA-N -1 1 357.410 2.378 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000092507511 670740867 /nfs/dbraw/zinc/74/08/67/670740867.db2.gz UEYCQJNJVLSGOW-ZJUUUORDSA-N -1 1 363.336 2.282 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2Br)cc1C ZINC000570632731 670744193 /nfs/dbraw/zinc/74/41/93/670744193.db2.gz YYWATYWDCMJJLX-UHFFFAOYSA-N -1 1 360.233 2.300 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000570790630 670769662 /nfs/dbraw/zinc/76/96/62/670769662.db2.gz KLVBXLHRYCFBGE-CHWSQXEVSA-N -1 1 353.431 2.463 20 0 FEADMM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3sccc3Cl)C2)n(C)n1 ZINC000571136295 670821752 /nfs/dbraw/zinc/82/17/52/670821752.db2.gz GSJCEIOUQXBMOK-NSHDSACASA-N -1 1 374.919 2.391 20 0 FEADMM CCn1c(C)nnc1SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000110311837 670848372 /nfs/dbraw/zinc/84/83/72/670848372.db2.gz HGKXWBMZVRCTFC-UHFFFAOYSA-N -1 1 370.381 2.257 20 0 FEADMM Cc1ncsc1COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000111952999 670863493 /nfs/dbraw/zinc/86/34/93/670863493.db2.gz FHULNQFSGVWMDC-UHFFFAOYSA-N -1 1 358.441 2.478 20 0 FEADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000572198450 670972536 /nfs/dbraw/zinc/97/25/36/670972536.db2.gz IVMZHFQOMPSLRX-UHFFFAOYSA-N -1 1 368.361 2.375 20 0 FEADMM O=c1cnc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)ccc2[nH]1 ZINC000565930893 675161566 /nfs/dbraw/zinc/16/15/66/675161566.db2.gz PTEOVQCNTYTTSQ-UHFFFAOYSA-N -1 1 367.333 2.325 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCOC1)c1sc2ccccc2c1Cl ZINC000572592126 671020923 /nfs/dbraw/zinc/02/09/23/671020923.db2.gz WQDWHPZMNUNAQB-GXSJLCMTSA-N -1 1 361.872 2.230 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3c(=O)[nH][nH]c3=O)cc2)c1 ZINC000573524333 671133057 /nfs/dbraw/zinc/13/30/57/671133057.db2.gz IDCPVFITAWPBCA-UHFFFAOYSA-N -1 1 360.395 2.096 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC2(CCOCC2)C1)c1nc2ccccc2s1 ZINC000573798016 671165902 /nfs/dbraw/zinc/16/59/02/671165902.db2.gz BLTJDAFIFAXUJY-GFCCVEGCSA-N -1 1 368.480 2.303 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCN(C2CCOCC2)CC1 ZINC000574648005 671264798 /nfs/dbraw/zinc/26/47/98/671264798.db2.gz DJIJESGPDZAZLX-UHFFFAOYSA-N -1 1 358.360 2.348 20 0 FEADMM CC(C)OC(=O)Cc1nc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cs1 ZINC000575049734 671295095 /nfs/dbraw/zinc/29/50/95/671295095.db2.gz MHRWJRHRZFBJQF-YVEFUNNKSA-N -1 1 352.456 2.324 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccnn3C)C2)c(F)c1 ZINC000575863167 671326662 /nfs/dbraw/zinc/32/66/62/671326662.db2.gz QERAWXJFHDNZIW-ABAIWWIYSA-N -1 1 371.409 2.205 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CCC[C@H](F)C2)ccc1[N-]S(C)(=O)=O ZINC000575985996 671336144 /nfs/dbraw/zinc/33/61/44/671336144.db2.gz JQYMFKAWCLGACQ-QWRGUYRKSA-N -1 1 359.423 2.469 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)no1 ZINC000576866072 671400253 /nfs/dbraw/zinc/40/02/53/671400253.db2.gz FMSVFKIWUONTMD-SNVBAGLBSA-N -1 1 372.447 2.072 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1cccc(C)c1C ZINC000576931997 671405468 /nfs/dbraw/zinc/40/54/68/671405468.db2.gz DYFSAYJIIZLVSM-HNNXBMFYSA-N -1 1 357.472 2.252 20 0 FEADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)s1 ZINC000576975619 671408323 /nfs/dbraw/zinc/40/83/23/671408323.db2.gz UYFAXZNRQWGVMY-UHFFFAOYSA-N -1 1 351.413 2.087 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)[C@@H]1CCC[C@H](OC)C1 ZINC000577877991 671626286 /nfs/dbraw/zinc/62/62/86/671626286.db2.gz ZMMPRVJJYMLKRR-OWQJAQGESA-N -1 1 373.515 2.233 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000578401291 671662375 /nfs/dbraw/zinc/66/23/75/671662375.db2.gz FOPCBZGGDLBORZ-LLVKDONJSA-N -1 1 353.296 2.496 20 0 FEADMM C[C@H]1C[C@H](C)N1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579655932 671750784 /nfs/dbraw/zinc/75/07/84/671750784.db2.gz PFGPBVQSXBBUGZ-IUCAKERBSA-N -1 1 351.255 2.281 20 0 FEADMM CS(=O)(=O)CCCN(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000579967396 671773586 /nfs/dbraw/zinc/77/35/86/671773586.db2.gz HVRQGABNDJGKEK-UHFFFAOYSA-N -1 1 353.362 2.027 20 0 FEADMM O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1[O-])N1CCCC1 ZINC000580033090 671777802 /nfs/dbraw/zinc/77/78/02/671777802.db2.gz FCFGMAUNEWSCBN-AWEZNQCLSA-N -1 1 366.845 2.289 20 0 FEADMM COC(=O)Cc1nc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)n[nH]1 ZINC000609880037 675940794 /nfs/dbraw/zinc/94/07/94/675940794.db2.gz RVXUNBKLSANSIT-UHFFFAOYSA-N -1 1 361.745 2.081 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)CCC(=O)NC3CCCC3)n2)cc1 ZINC000580616817 671821138 /nfs/dbraw/zinc/82/11/38/671821138.db2.gz XLKQZFYSRYBXFB-UHFFFAOYSA-N -1 1 362.455 2.003 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)CCC(=O)NC3CCCC3)n[n-]2)cc1 ZINC000580616817 671821140 /nfs/dbraw/zinc/82/11/40/671821140.db2.gz XLKQZFYSRYBXFB-UHFFFAOYSA-N -1 1 362.455 2.003 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2noc(COC(C)C)n2)sc1C ZINC000581339274 671885941 /nfs/dbraw/zinc/88/59/41/671885941.db2.gz QCANMABIEFCSFK-VIFPVBQESA-N -1 1 360.461 2.107 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(F)cc1F ZINC000119784190 671908511 /nfs/dbraw/zinc/90/85/11/671908511.db2.gz WLHIUJGWIKCFRD-OAHLLOKOSA-N -1 1 363.332 2.429 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)c1ccccc1 ZINC000581667082 671923380 /nfs/dbraw/zinc/92/33/80/671923380.db2.gz OUHNMPGJDARWSC-LBPRGKRZSA-N -1 1 374.260 2.312 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)c1c(F)cccc1F)c1ccc(F)c(F)c1F ZINC000121053456 671941760 /nfs/dbraw/zinc/94/17/60/671941760.db2.gz CHBGZCVESVTVKA-SNVBAGLBSA-N -1 1 367.295 2.394 20 0 FEADMM CCc1c(C(=O)Nc2nc(Br)ccc2[O-])[nH]c(C)c1C(N)=O ZINC000121477871 671950600 /nfs/dbraw/zinc/95/06/00/671950600.db2.gz CFNYVFHCEVYEOI-UHFFFAOYSA-N -1 1 367.203 2.100 20 0 FEADMM COc1cc(C(=O)[N-]c2nc3n(n2)CCCC3)sc1Br ZINC000581987356 671955863 /nfs/dbraw/zinc/95/58/63/671955863.db2.gz HXJVLXHSTZVPQL-UHFFFAOYSA-N -1 1 357.233 2.699 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000582526149 672009270 /nfs/dbraw/zinc/00/92/70/672009270.db2.gz PMVVHUJTGXUQLN-CQSZACIVSA-N -1 1 362.455 2.037 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000582526149 672009272 /nfs/dbraw/zinc/00/92/72/672009272.db2.gz PMVVHUJTGXUQLN-CQSZACIVSA-N -1 1 362.455 2.037 20 0 FEADMM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2c(C)onc2CC)c1 ZINC000126991389 672030967 /nfs/dbraw/zinc/03/09/67/672030967.db2.gz LCPPFDMLHMOULB-UHFFFAOYSA-N -1 1 355.391 2.235 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)c3cn(C)c(Cl)n3)CCCCCC2)no1 ZINC000130492614 672076166 /nfs/dbraw/zinc/07/61/66/672076166.db2.gz RHTFAESHIHSHLC-UHFFFAOYSA-N -1 1 373.866 2.293 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COc2cccc(C(F)(F)F)n2)cc1 ZINC000131289894 672086509 /nfs/dbraw/zinc/08/65/09/672086509.db2.gz YTXNOERNPRPLRU-UHFFFAOYSA-N -1 1 354.284 2.444 20 0 FEADMM CC(C)CN(C(=O)Cc1sc(N)nc1[O-])[C@H]1CCCc2cccnc21 ZINC000133786115 672115364 /nfs/dbraw/zinc/11/53/64/672115364.db2.gz SLUAVTSEUZSPGN-UONOGXRCSA-N -1 1 360.483 2.290 20 0 FEADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nc(C(F)(F)F)no1 ZINC000583834475 672130404 /nfs/dbraw/zinc/13/04/04/672130404.db2.gz KGHRUOOZWGFSQL-UHFFFAOYSA-N -1 1 355.725 2.361 20 0 FEADMM CSc1cccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000584179295 672163645 /nfs/dbraw/zinc/16/36/45/672163645.db2.gz MOQVYJQFAMQBGJ-UHFFFAOYSA-N -1 1 357.439 2.740 20 0 FEADMM O=C(Cc1cccc(I)c1)[N-]O[C@H]1CCCCO1 ZINC000151873020 672171001 /nfs/dbraw/zinc/17/10/01/672171001.db2.gz NFHFVSCWQYNJOF-ZDUSSCGKSA-N -1 1 361.179 2.408 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)s[n-]1 ZINC000584339285 672178414 /nfs/dbraw/zinc/17/84/14/672178414.db2.gz ZSQCUTBXNVSUFZ-VHSXEESVSA-N -1 1 367.500 2.231 20 0 FEADMM Cc1sc(CCNC(=O)Cc2sc(N)nc2[O-])nc1-c1ccccc1 ZINC000154938446 672224895 /nfs/dbraw/zinc/22/48/95/672224895.db2.gz VARHCUHWVLJEPE-LBPRGKRZSA-N -1 1 374.491 2.124 20 0 FEADMM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000159375358 672281360 /nfs/dbraw/zinc/28/13/60/672281360.db2.gz JVJBSXTUBWPWEJ-LLVKDONJSA-N -1 1 361.341 2.124 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)o1 ZINC000160566175 672292266 /nfs/dbraw/zinc/29/22/66/672292266.db2.gz HPKGZFZJRQVBET-NSHDSACASA-N -1 1 364.301 2.043 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Oc1cccc(Cl)c1 ZINC000173701662 672353970 /nfs/dbraw/zinc/35/39/70/672353970.db2.gz QADWWCJCVGBSKA-VIFPVBQESA-N -1 1 364.254 2.473 20 0 FEADMM CSc1nc(C)c(CCC(=O)OC[C@@H]2CC2(Cl)Cl)c(=O)[n-]1 ZINC000177888435 672386888 /nfs/dbraw/zinc/38/68/88/672386888.db2.gz OSCAOSQBGJQBEG-QMMMGPOBSA-N -1 1 351.255 2.470 20 0 FEADMM Cc1ccc2c(CC(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c[nH]c2c1 ZINC000179537861 672402867 /nfs/dbraw/zinc/40/28/67/672402867.db2.gz XJENNYBWCUTAPN-UHFFFAOYSA-N -1 1 359.407 2.011 20 0 FEADMM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000181715302 672429906 /nfs/dbraw/zinc/42/99/06/672429906.db2.gz WGXYJUQOBYRPFB-UHFFFAOYSA-N -1 1 356.379 2.065 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(Cl)cc3Cl)nc2n1 ZINC000588006735 672444619 /nfs/dbraw/zinc/44/46/19/672444619.db2.gz TXJTULUNBFYKAB-UHFFFAOYSA-N -1 1 352.181 2.214 20 0 FEADMM CC(=O)N1CSC[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182920779 672456055 /nfs/dbraw/zinc/45/60/55/672456055.db2.gz UEPCWCSQBPSHTA-NSHDSACASA-N -1 1 359.245 2.323 20 0 FEADMM O=C([N-]NC(=O)Nc1ccccn1)c1cc(F)ccc1Br ZINC000183483821 672469487 /nfs/dbraw/zinc/46/94/87/672469487.db2.gz UITQGQBIRFCNNY-UHFFFAOYSA-N -1 1 353.151 2.450 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCOc2ccccc2OC)c(F)c1 ZINC000588675888 672470859 /nfs/dbraw/zinc/47/08/59/672470859.db2.gz YLEDDAKKYXIMHV-UHFFFAOYSA-N -1 1 373.377 2.339 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccnc(SC)c2)ccc1O ZINC000611231321 676026990 /nfs/dbraw/zinc/02/69/90/676026990.db2.gz MELZIXOYWPWPQR-UHFFFAOYSA-N -1 1 354.409 2.097 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)c1 ZINC000589433131 672525111 /nfs/dbraw/zinc/52/51/11/672525111.db2.gz KUBBXSATCTZVQR-UHFFFAOYSA-N -1 1 350.396 2.463 20 0 FEADMM CC(C)OCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000186584755 672550663 /nfs/dbraw/zinc/55/06/63/672550663.db2.gz GCARMAYUMOCZQA-UHFFFAOYSA-N -1 1 358.204 2.431 20 0 FEADMM O=S(=O)(CCCCF)[N-]c1cc(I)ccc1O ZINC000590742073 672607712 /nfs/dbraw/zinc/60/77/12/672607712.db2.gz HFQAXNDGZOTVGN-UHFFFAOYSA-N -1 1 373.187 2.488 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COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000600434280 673767906 /nfs/dbraw/zinc/76/79/06/673767906.db2.gz VXDJYFLRSHQTMZ-GWCFXTLKSA-N -1 1 371.817 2.142 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC(O)C1 ZINC000545444361 673769619 /nfs/dbraw/zinc/76/96/19/673769619.db2.gz NZFSOKIOJFUXDD-UHFFFAOYSA-N -1 1 360.435 2.083 20 0 FEADMM O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1nn[n-]n1 ZINC000600498686 673774539 /nfs/dbraw/zinc/77/45/39/673774539.db2.gz XMRPPZDCGKHXPG-UHFFFAOYSA-N -1 1 356.333 2.077 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)o1 ZINC000545746923 673775825 /nfs/dbraw/zinc/77/58/25/673775825.db2.gz LKCMRRXNNWYNSV-UHFFFAOYSA-N -1 1 374.300 2.319 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nccn1C(F)F ZINC000744564763 673801444 /nfs/dbraw/zinc/80/14/44/673801444.db2.gz MVUBGKHIFNVWCK-UHFFFAOYSA-N -1 1 359.354 2.397 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1cc(C)[nH]c1C ZINC000744578502 673802329 /nfs/dbraw/zinc/80/23/29/673802329.db2.gz JFOZJJVSKVDHRG-UHFFFAOYSA-N -1 1 364.423 2.433 20 0 FEADMM CC1(C)c2cc(S(=O)(=O)[N-]c3nc(C4CCC4)n[nH]3)ccc2NC1=O ZINC000546620629 673807034 /nfs/dbraw/zinc/80/70/34/673807034.db2.gz BNLYWDVDQSLUQG-UHFFFAOYSA-N -1 1 361.427 2.103 20 0 FEADMM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc(=O)n2[n-]cnc2n1 ZINC000546793465 673819482 /nfs/dbraw/zinc/81/94/82/673819482.db2.gz VHZUQYVOQNUTCA-LLVKDONJSA-N -1 1 371.706 2.104 20 0 FEADMM CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000546872453 673824090 /nfs/dbraw/zinc/82/40/90/673824090.db2.gz RTBUXQDQLZPXQZ-UFBFGSQYSA-N -1 1 363.195 2.134 20 0 FEADMM CCOC(=O)[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000601383276 673852845 /nfs/dbraw/zinc/85/28/45/673852845.db2.gz NOGZYCYGNOQCST-INIZCTEOSA-N -1 1 355.818 2.063 20 0 FEADMM COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2[O-])C1 ZINC000601385206 673852907 /nfs/dbraw/zinc/85/29/07/673852907.db2.gz KMOZKZUUWAQZMO-LBPRGKRZSA-N -1 1 371.455 2.001 20 0 FEADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000601516478 673875359 /nfs/dbraw/zinc/87/53/59/673875359.db2.gz AVGQCKWLHOSHTC-RKDXNWHRSA-N -1 1 357.737 2.356 20 0 FEADMM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc3ccccc3o2)cn1 ZINC000547681949 673880504 /nfs/dbraw/zinc/88/05/04/673880504.db2.gz GBSUFLMNSKJHMJ-WMLDXEAASA-N -1 1 361.423 2.365 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(F)(F)F ZINC000547703074 673882624 /nfs/dbraw/zinc/88/26/24/673882624.db2.gz BJBDPIYALQASOL-UHFFFAOYSA-N -1 1 369.346 2.308 20 0 FEADMM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547932056 673906253 /nfs/dbraw/zinc/90/62/53/673906253.db2.gz USJNQVNYSTVETR-LURJTMIESA-N -1 1 372.187 2.259 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000747217788 673913051 /nfs/dbraw/zinc/91/30/51/673913051.db2.gz JXTHUKBJNVTJCJ-UHFFFAOYSA-N -1 1 352.435 2.211 20 0 FEADMM C[C@H]1CN(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000548696620 673987799 /nfs/dbraw/zinc/98/77/99/673987799.db2.gz OJKHGMMHRIEIFG-QMMMGPOBSA-N -1 1 359.300 2.054 20 0 FEADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000566619424 675229738 /nfs/dbraw/zinc/22/97/38/675229738.db2.gz HZQDPPFHUXVIAC-OLZOCXBDSA-N -1 1 362.455 2.117 20 0 FEADMM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000567338005 675285070 /nfs/dbraw/zinc/28/50/70/675285070.db2.gz IOISWDQVGCUVNH-LLVKDONJSA-N -1 1 373.931 2.079 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2C)C2CCOCC2)n1 ZINC000567928440 675336575 /nfs/dbraw/zinc/33/65/75/675336575.db2.gz WUSHWFXLGFJZQZ-HNNXBMFYSA-N -1 1 369.418 2.272 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624977 675387396 /nfs/dbraw/zinc/38/73/96/675387396.db2.gz URNHZODMLSFSMZ-VXGBXAGGSA-N -1 1 367.496 2.222 20 0 FEADMM Cc1cnc(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)o1 ZINC000820793775 675388783 /nfs/dbraw/zinc/38/87/83/675388783.db2.gz HKCBJPGKHOGIES-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cnn(C)n3)nc(=O)c2c1C ZINC000821031274 675408007 /nfs/dbraw/zinc/40/80/07/675408007.db2.gz HAYJXDVQVDCSMG-XBXARRHUSA-N -1 1 365.802 2.357 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000823644794 675565107 /nfs/dbraw/zinc/56/51/07/675565107.db2.gz HDBMIVUZXNQPGG-GFCCVEGCSA-N -1 1 359.253 2.449 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](O)Cc1ccccc1 ZINC000824669182 675615822 /nfs/dbraw/zinc/61/58/22/675615822.db2.gz ANXTUICTYYRLSW-WCBMZHEXSA-N -1 1 350.835 2.381 20 0 FEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](O)Cc1ccccc1 ZINC000824669182 675615823 /nfs/dbraw/zinc/61/58/23/675615823.db2.gz ANXTUICTYYRLSW-WCBMZHEXSA-N -1 1 350.835 2.381 20 0 FEADMM CCN(Cc1ccc(Cl)s1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825435302 675652938 /nfs/dbraw/zinc/65/29/38/675652938.db2.gz SVEQOUDTVIIRKX-UHFFFAOYSA-N -1 1 366.834 2.469 20 0 FEADMM CCN(Cc1ccc(Cl)s1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825435302 675652939 /nfs/dbraw/zinc/65/29/39/675652939.db2.gz SVEQOUDTVIIRKX-UHFFFAOYSA-N -1 1 366.834 2.469 20 0 FEADMM COc1cc(C(=O)NC[C@@H]2CC3(CO2)CCOCC3)cc(Cl)c1[O-] ZINC000825470275 675654884 /nfs/dbraw/zinc/65/48/84/675654884.db2.gz NASYCTICUIRCJH-LBPRGKRZSA-N -1 1 355.818 2.370 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)c(=O)[n-]1 ZINC000825622244 675661414 /nfs/dbraw/zinc/66/14/14/675661414.db2.gz CCVNNPFIQFIGLI-ZFWWWQNUSA-N -1 1 365.499 2.324 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000825642910 675662052 /nfs/dbraw/zinc/66/20/52/675662052.db2.gz FGURDHJGUYEGAA-UHFFFAOYSA-N -1 1 363.374 2.205 20 0 FEADMM Cc1cc(Nc2snc(Cl)c2-c2nnn[n-]2)ccc1OCCO ZINC000826271443 675685420 /nfs/dbraw/zinc/68/54/20/675685420.db2.gz RHMKKJPFOXLXDF-UHFFFAOYSA-N -1 1 352.807 2.400 20 0 FEADMM Cc1cc(Nc2snc(Cl)c2-c2nn[n-]n2)ccc1OCCO ZINC000826271443 675685423 /nfs/dbraw/zinc/68/54/23/675685423.db2.gz RHMKKJPFOXLXDF-UHFFFAOYSA-N -1 1 352.807 2.400 20 0 FEADMM CSCC[C@H](NC(=O)[C@H](C)Sc1ccc(F)cc1)c1nn[n-]n1 ZINC000826928090 675715971 /nfs/dbraw/zinc/71/59/71/675715971.db2.gz LAGYCPGIWNRXAX-CABZTGNLSA-N -1 1 355.464 2.430 20 0 FEADMM COc1cccc(C[C@H](C)CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000826927522 675716160 /nfs/dbraw/zinc/71/61/60/675716160.db2.gz CYNKOGVYNFNJAN-WFASDCNBSA-N -1 1 363.487 2.388 20 0 FEADMM CCCCC[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000827799004 675779848 /nfs/dbraw/zinc/77/98/48/675779848.db2.gz VNHWMJHVPLZEHB-INIZCTEOSA-N -1 1 370.471 2.056 20 0 FEADMM CN(Cc1cc2c(c(Br)c1)OCO2)[C@H]1CCN(C(=O)[O-])C1 ZINC000828346256 675814463 /nfs/dbraw/zinc/81/44/63/675814463.db2.gz WBDQHROGZRQYBC-JTQLQIEISA-N -1 1 357.204 2.362 20 0 FEADMM O=C(CNc1cccc(C(F)(F)F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000605530748 675817741 /nfs/dbraw/zinc/81/77/41/675817741.db2.gz QHRJMZRLDJRMOJ-UHFFFAOYSA-N -1 1 354.336 2.216 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)ccc1F ZINC000605652993 675822609 /nfs/dbraw/zinc/82/26/09/675822609.db2.gz LGVJYSFLSDIROZ-UHFFFAOYSA-N -1 1 363.370 2.080 20 0 FEADMM CCOC(=O)CS[C@@H](CNC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000828508780 675825026 /nfs/dbraw/zinc/82/50/26/675825026.db2.gz FMDJPIVRBLDXKH-NSHDSACASA-N -1 1 369.336 2.488 20 0 FEADMM Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c2ncccc12 ZINC000828701301 675837701 /nfs/dbraw/zinc/83/77/01/675837701.db2.gz FJFKSWONTBKUML-UHFFFAOYSA-N -1 1 351.328 2.294 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccn(-c2ccncc2)n1 ZINC000607881410 675876087 /nfs/dbraw/zinc/87/60/87/675876087.db2.gz FLGZBBSZSWIXLA-UHFFFAOYSA-N -1 1 362.386 2.227 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc32)o1 ZINC000615892657 676233047 /nfs/dbraw/zinc/23/30/47/676233047.db2.gz SIYVSICAUUUGFY-CYBMUJFWSA-N -1 1 362.451 2.426 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2cnc(-c3ccccc3)s2)n[n-]1 ZINC000615919095 676233427 /nfs/dbraw/zinc/23/34/27/676233427.db2.gz XUSYKZWCAJFVGS-UHFFFAOYSA-N -1 1 357.395 2.035 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnc(-c3ccccc3)s2)n1 ZINC000615919095 676233428 /nfs/dbraw/zinc/23/34/28/676233428.db2.gz XUSYKZWCAJFVGS-UHFFFAOYSA-N -1 1 357.395 2.035 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2ccc3ccc(Cl)cc3n2)n[n-]1 ZINC000615916569 676233631 /nfs/dbraw/zinc/23/36/31/676233631.db2.gz DLCAAUAWZBNSQO-UHFFFAOYSA-N -1 1 359.773 2.113 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3ccc(Cl)cc3n2)n1 ZINC000615916569 676233632 /nfs/dbraw/zinc/23/36/32/676233632.db2.gz DLCAAUAWZBNSQO-UHFFFAOYSA-N -1 1 359.773 2.113 20 0 FEADMM CS(=O)(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C(F)(F)F ZINC000617456151 676286731 /nfs/dbraw/zinc/28/67/31/676286731.db2.gz WHBAYAVVHRLNSR-MWLCHTKSSA-N -1 1 371.764 2.093 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCC12CCOCC2 ZINC000618052940 676317121 /nfs/dbraw/zinc/31/71/21/676317121.db2.gz WPIRWQCSVLCQQT-UHFFFAOYSA-N -1 1 373.190 2.392 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2N)c1 ZINC000619855839 676397339 /nfs/dbraw/zinc/39/73/39/676397339.db2.gz UJCQZCSWVUTOTR-UHFFFAOYSA-N -1 1 362.407 2.449 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000619865155 676397805 /nfs/dbraw/zinc/39/78/05/676397805.db2.gz ABKJSMYOVDXXRE-QMMMGPOBSA-N -1 1 360.395 2.271 20 0 FEADMM CC(C)(CNC(=O)c1cc(Br)ccc1[O-])[C@]1(O)CCCOC1 ZINC000620114347 676407361 /nfs/dbraw/zinc/40/73/61/676407361.db2.gz IUIXSNXUYZOVHZ-INIZCTEOSA-N -1 1 372.259 2.452 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)C(C)(C)c3ccc(Cl)cc3F)nc2n1 ZINC000622870835 676509207 /nfs/dbraw/zinc/50/92/07/676509207.db2.gz INSYXVJFVXZXJJ-UHFFFAOYSA-N -1 1 363.780 2.435 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)nc2n1 ZINC000622993484 676514562 /nfs/dbraw/zinc/51/45/62/676514562.db2.gz PCEQSPXSQAKSJR-NEPJUHHUSA-N -1 1 357.801 2.376 20 0 FEADMM CCO[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CC1 ZINC000626472515 676707532 /nfs/dbraw/zinc/70/75/32/676707532.db2.gz AAGGRQRSWSBYOF-OLZOCXBDSA-N -1 1 353.785 2.013 20 0 FEADMM COc1cc2[n-]cc(C(=O)N3CCSC[C@H](C)C3)c(=O)c2c(OC)c1 ZINC000626655291 676717294 /nfs/dbraw/zinc/71/72/94/676717294.db2.gz WULUMJUMTXWAEN-LLVKDONJSA-N -1 1 362.451 2.370 20 0 FEADMM C[C@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@@H]1C(=O)[O-] ZINC000626753499 676720875 /nfs/dbraw/zinc/72/08/75/676720875.db2.gz OZYXWOIFYMRDTQ-WFASDCNBSA-N -1 1 351.422 2.140 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1cccc(F)c1[O-] ZINC000628961271 676826013 /nfs/dbraw/zinc/82/60/13/676826013.db2.gz ZEYKFQLKVGQBNN-DYEKYZERSA-N -1 1 353.419 2.196 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(OC)c1 ZINC000629503211 676857733 /nfs/dbraw/zinc/85/77/33/676857733.db2.gz VAKZLEVSCWVPCY-OBJOEFQTSA-N -1 1 350.415 2.073 20 0 FEADMM CCCOc1ccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1OC ZINC000629939234 676876398 /nfs/dbraw/zinc/87/63/98/676876398.db2.gz KMKGLANMGKPXGS-UHFFFAOYSA-N -1 1 368.411 2.237 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)CC1 ZINC000630221312 676887751 /nfs/dbraw/zinc/88/77/51/676887751.db2.gz XKSSDDBTORNSSR-VUYXQBRFSA-N -1 1 362.857 2.233 20 0 FEADMM Cc1cccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1Br ZINC000630222991 676887961 /nfs/dbraw/zinc/88/79/61/676887961.db2.gz HKQOQIIKXXDEEX-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1c([O-])cccc1F ZINC000678374415 679727105 /nfs/dbraw/zinc/72/71/05/679727105.db2.gz IKIQRYOGMZULRZ-ITDIGPHOSA-N -1 1 353.419 2.196 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000630759285 676920662 /nfs/dbraw/zinc/92/06/62/676920662.db2.gz JFOMTXRJSIPDGC-AWEZNQCLSA-N -1 1 350.846 2.353 20 0 FEADMM CC(C)N(Cc1ccc(Br)cc1)C(=O)CCc1nn[n-]n1 ZINC000630818400 676923074 /nfs/dbraw/zinc/92/30/74/676923074.db2.gz TXXLQVIKFDXMQN-UHFFFAOYSA-N -1 1 352.236 2.332 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000630948500 676927133 /nfs/dbraw/zinc/92/71/33/676927133.db2.gz VGYSXCHZDQEEFU-LBPRGKRZSA-N -1 1 374.203 2.178 20 0 FEADMM C[C@@H](CNC(=O)CCc1nn[n-]n1)Sc1ccc(Br)cc1 ZINC000631201526 676937105 /nfs/dbraw/zinc/93/71/05/676937105.db2.gz SGWWPUBYZOPGOO-VIFPVBQESA-N -1 1 370.276 2.192 20 0 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FEADMM COc1cc(NCCCNC(=O)Cc2ccc([O-])c(Cl)c2)ncn1 ZINC000636035013 677112388 /nfs/dbraw/zinc/11/23/88/677112388.db2.gz PCOYROVFPAHSAT-UHFFFAOYSA-N -1 1 350.806 2.005 20 0 FEADMM O=C(N=c1cc(CC2CC2)[nH][nH]1)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640301292 677178006 /nfs/dbraw/zinc/17/80/06/677178006.db2.gz ZXTCAJJDETZNNH-UHFFFAOYSA-N -1 1 362.743 2.262 20 0 FEADMM CSc1nc(CNC(=O)C(C)(C)c2ccc3c(c2)OCO3)cc(=O)[n-]1 ZINC000640655321 677185282 /nfs/dbraw/zinc/18/52/82/677185282.db2.gz LFFBUMFDLYISFS-UHFFFAOYSA-N -1 1 361.423 2.227 20 0 FEADMM CSc1nc(CNC(=O)c2cc(Br)oc2C)cc(=O)[n-]1 ZINC000640656392 677185363 /nfs/dbraw/zinc/18/53/63/677185363.db2.gz ZDYNUQHRTXIJNI-UHFFFAOYSA-N -1 1 358.217 2.498 20 0 FEADMM Cc1c(=O)[n-]c(SCCN2C(=O)CN(C)C2=O)nc1-c1ccccc1 ZINC000641477828 677207415 /nfs/dbraw/zinc/20/74/15/677207415.db2.gz LUWQELCRLQAIBW-UHFFFAOYSA-N -1 1 358.423 2.144 20 0 FEADMM COc1nccc2c([N-]S(=O)(=O)CC3(OC)CCOCC3)cccc21 ZINC000641688909 677214022 /nfs/dbraw/zinc/21/40/22/677214022.db2.gz 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COc1nccc2cc([N-]S(=O)(=O)C[C@H](OC)[C@@H]3CCOC3)ccc21 ZINC000656632736 677796501 /nfs/dbraw/zinc/79/65/01/677796501.db2.gz YYEYNRLPGKUUDS-CJNGLKHVSA-N -1 1 366.439 2.037 20 0 FEADMM COCc1cc(Cl)ccc1[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656632400 677796724 /nfs/dbraw/zinc/79/67/24/677796724.db2.gz XHVWUXKRPHRLFX-XHDPSFHLSA-N -1 1 363.863 2.280 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCNC3=O)cc1C ZINC000656633020 677797336 /nfs/dbraw/zinc/79/73/36/677797336.db2.gz QIEKWHYIBBNGNC-UHFFFAOYSA-N -1 1 360.435 2.480 20 0 FEADMM Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c1 ZINC000656731975 677821471 /nfs/dbraw/zinc/82/14/71/677821471.db2.gz SZVSAUCAIAWNFL-UHFFFAOYSA-N -1 1 350.444 2.206 20 0 FEADMM Cc1nn(C)c(S(=O)(=O)[N-]c2cnc3c(C)cccn23)c1C(F)F ZINC000656742461 677827452 /nfs/dbraw/zinc/82/74/52/677827452.db2.gz QWGLNGNMXHQMSZ-UHFFFAOYSA-N -1 1 355.370 2.423 20 0 FEADMM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000656850157 677835934 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CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)C1=O ZINC000657071475 677934063 /nfs/dbraw/zinc/93/40/63/677934063.db2.gz SETVJMUOVFCYNY-ZIAGYGMSSA-N -1 1 372.437 2.319 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2c(OC)cccc2OC)c(F)c1 ZINC000657079401 677938313 /nfs/dbraw/zinc/93/83/13/677938313.db2.gz FFMCOIOXRLONTG-UHFFFAOYSA-N -1 1 373.377 2.469 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)ccc1F ZINC000761841635 680732788 /nfs/dbraw/zinc/73/27/88/680732788.db2.gz LXMGWLYIFSJVFB-UHFFFAOYSA-N -1 1 355.391 2.335 20 0 FEADMM CNC(=O)CC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCCCC1 ZINC000660049628 678264911 /nfs/dbraw/zinc/26/49/11/678264911.db2.gz VFQSTAHFJUEGQH-UHFFFAOYSA-N -1 1 360.426 2.330 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@]1(O)CCCOC1 ZINC000660053375 678267011 /nfs/dbraw/zinc/26/70/11/678267011.db2.gz UOSSLWWGBFAJNT-HNNXBMFYSA-N -1 1 365.854 2.325 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC2(CC(N)=O)CCCCC2)c(F)c1 ZINC000660112306 678285015 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368.836 2.424 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000909555990 691833539 /nfs/dbraw/zinc/83/35/39/691833539.db2.gz CUHPPOHIRFOBKE-GFCCVEGCSA-N -1 1 368.836 2.424 20 0 FEADMM CC[C@H](CSc1ccccc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000910250956 691906484 /nfs/dbraw/zinc/90/64/84/691906484.db2.gz PQVSEEHLLDROFA-HUUCEWRRSA-N -1 1 350.484 2.470 20 0 FEADMM Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F ZINC000910353218 691920544 /nfs/dbraw/zinc/92/05/44/691920544.db2.gz PMRWCFGTPXKICU-QMMMGPOBSA-N -1 1 353.366 2.320 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)NC3(C(=O)[O-])CCCCC3)n2)cc1 ZINC000780548474 939132741 /nfs/dbraw/zinc/13/27/41/939132741.db2.gz XOMCEJRLKHJVKD-UHFFFAOYSA-N -1 1 373.413 2.067 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)NC3(C(=O)[O-])CCCCC3)n[nH]2)cc1 ZINC000780548474 939132744 /nfs/dbraw/zinc/13/27/44/939132744.db2.gz XOMCEJRLKHJVKD-UHFFFAOYSA-N -1 1 373.413 2.067 20 0 FEADMM C[C@H](CN1CCOCC1)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910936126 939759672 /nfs/dbraw/zinc/75/96/72/939759672.db2.gz MHSMLBUMUXPQBA-KDOFPFPSSA-N -1 1 356.422 2.050 20 0 FEADMM O=C([O-])[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1 ZINC000911063593 939769726 /nfs/dbraw/zinc/76/97/26/939769726.db2.gz KWCSLONNSKWWRD-HZMBPMFUSA-N -1 1 367.327 2.476 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC001262379496 939827261 /nfs/dbraw/zinc/82/72/61/939827261.db2.gz CACIHQFDWZSZQZ-SFHVURJKSA-N -1 1 368.437 2.171 20 0 FEADMM O=C(N=c1cc([C@H]2CCCO2)[nH][nH]1)c1[n-]cnc1C(=O)c1ccccc1 ZINC000509400622 538948903 /nfs/dbraw/zinc/94/89/03/538948903.db2.gz BQGOCSSXHVKTKH-CYBMUJFWSA-N -1 1 351.366 2.468 20 0 FEADMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000016101170 539627778 /nfs/dbraw/zinc/62/77/78/539627778.db2.gz KSVYYKPUAAHQAM-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM COCCN(Cc1ccco1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000025725029 539767393 /nfs/dbraw/zinc/76/73/93/539767393.db2.gz UTVZWDWVEALIMW-UHFFFAOYSA-N -1 1 365.455 2.413 20 0 FEADMM COc1ccc([C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)NC(C)=O)cc1 ZINC000026252608 539781124 /nfs/dbraw/zinc/78/11/24/539781124.db2.gz POOUXHRRCWTDSB-LLVKDONJSA-N -1 1 371.319 2.038 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c([O-])c1 ZINC000026288971 539782492 /nfs/dbraw/zinc/78/24/92/539782492.db2.gz LMODLIKIYNIVSR-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM COc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC000026539430 539788906 /nfs/dbraw/zinc/78/89/06/539788906.db2.gz KVKUMHYFVFZPAO-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CCCc1n[n-]c(=NC(=O)N2CCC(C)(N3CCOCC3)CC2)s1 ZINC000528881284 539790102 /nfs/dbraw/zinc/79/01/02/539790102.db2.gz WLKPFJGJUUOBRI-UHFFFAOYSA-N -1 1 353.492 2.209 20 0 FEADMM COCCN(CC(C)C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000030643443 539888548 /nfs/dbraw/zinc/88/85/48/539888548.db2.gz PFXCSCNMAUACTG-UHFFFAOYSA-N -1 1 360.476 2.101 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C(N)=O ZINC000032083543 539927790 /nfs/dbraw/zinc/92/77/90/539927790.db2.gz YSCQVZIZOOQQKH-UHFFFAOYSA-N -1 1 373.434 2.022 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cccc(NC(C)=O)c2)c(=O)[n-]1 ZINC000032360252 539935902 /nfs/dbraw/zinc/93/59/02/539935902.db2.gz LZYSTIHHVFOOQV-UHFFFAOYSA-N -1 1 374.466 2.420 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1C ZINC000032590278 539943343 /nfs/dbraw/zinc/94/33/43/539943343.db2.gz WYYOREHTJGVEPR-UHFFFAOYSA-N -1 1 364.423 2.059 20 0 FEADMM CCOc1ccc(OCC)c(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000032805212 539953305 /nfs/dbraw/zinc/95/33/05/539953305.db2.gz IVCATTXUSMCLNQ-UHFFFAOYSA-N -1 1 368.411 2.237 20 0 FEADMM COc1cc(NC(=O)COc2ccccc2F)ccc1[N-]S(C)(=O)=O ZINC000033067417 539966457 /nfs/dbraw/zinc/96/64/57/539966457.db2.gz WFBZMBSVMFICLH-UHFFFAOYSA-N -1 1 368.386 2.223 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)o1 ZINC000033047113 539965104 /nfs/dbraw/zinc/96/51/04/539965104.db2.gz YFRYTIPTFBYXRP-SECBINFHSA-N -1 1 374.365 2.280 20 0 FEADMM COc1cc(NC(=O)c2cccc3[nH]ncc32)ccc1[N-]S(C)(=O)=O ZINC000042046769 540047626 /nfs/dbraw/zinc/04/76/26/540047626.db2.gz FUWGCVGZPBTVPD-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccccc1N(C)C ZINC000042092426 540050546 /nfs/dbraw/zinc/05/05/46/540050546.db2.gz XEZSLXSTLGXQSG-UHFFFAOYSA-N -1 1 363.421 2.388 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(Br)ccc1F ZINC000823380002 675548915 /nfs/dbraw/zinc/54/89/15/675548915.db2.gz NRWDUGCXLAUIIG-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(Br)ccc1F ZINC000823380002 675548916 /nfs/dbraw/zinc/54/89/16/675548916.db2.gz NRWDUGCXLAUIIG-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000044259373 540121820 /nfs/dbraw/zinc/12/18/20/540121820.db2.gz RDOAFLXVIKIEIA-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1CCCC1 ZINC000045973580 540235757 /nfs/dbraw/zinc/23/57/57/540235757.db2.gz XUZXTIYOZVYUJH-UHFFFAOYSA-N -1 1 351.255 2.331 20 0 FEADMM COc1cccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000047327518 540303535 /nfs/dbraw/zinc/30/35/35/540303535.db2.gz WNPDGXTUIJWADC-UHFFFAOYSA-N -1 1 350.378 2.330 20 0 FEADMM CCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000053960296 540561153 /nfs/dbraw/zinc/56/11/53/540561153.db2.gz MTLDTSJBCSULGL-UHFFFAOYSA-N -1 1 366.414 2.393 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c(C)c1 ZINC000055650731 540668089 /nfs/dbraw/zinc/66/80/89/540668089.db2.gz WZNHOSAQHRNKTM-UHFFFAOYSA-N -1 1 354.453 2.060 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1F ZINC000055682331 540671091 /nfs/dbraw/zinc/67/10/91/540671091.db2.gz RGJOOTQQSKHPAE-UHFFFAOYSA-N -1 1 370.333 2.219 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(O)c1C ZINC000057118544 540769160 /nfs/dbraw/zinc/76/91/60/540769160.db2.gz RXUFQFUABOMRMO-UHFFFAOYSA-N -1 1 365.407 2.446 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1F 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O=C(OCCOC[C@@H]1CCCO1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801326143 674122035 /nfs/dbraw/zinc/12/20/35/674122035.db2.gz VXTVHAXPLQGZBO-AWEZNQCLSA-N -1 1 350.346 2.069 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)OCc3cnc(Cl)cn3)n2)cc1 ZINC000801362352 674124351 /nfs/dbraw/zinc/12/43/51/674124351.db2.gz NJYAXMWWBTYTEV-UHFFFAOYSA-N -1 1 360.757 2.387 20 0 FEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCCCC1 ZINC000801372561 674124860 /nfs/dbraw/zinc/12/48/60/674124860.db2.gz DRCKJVVIQRQGAW-UHFFFAOYSA-N -1 1 363.801 2.401 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)o1 ZINC000072867566 541885228 /nfs/dbraw/zinc/88/52/28/541885228.db2.gz WPSZCECQODMXJV-UHFFFAOYSA-N -1 1 366.414 2.174 20 0 FEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCC(=O)OCC(C)C)n1 ZINC000801427611 674126861 /nfs/dbraw/zinc/12/68/61/674126861.db2.gz RTQFUJGJXZRPEV-UHFFFAOYSA-N -1 1 350.346 2.381 20 0 FEADMM CC[C@H](C)CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccccc1OC ZINC000072994245 541906192 /nfs/dbraw/zinc/90/61/92/541906192.db2.gz VJSDQVAOPSKTIN-XHDPSFHLSA-N -1 1 353.444 2.442 20 0 FEADMM CCO[C@H](CCNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)C ZINC000074290817 542065446 /nfs/dbraw/zinc/06/54/46/542065446.db2.gz PTXQGDPPCQBBJW-CQSZACIVSA-N -1 1 355.504 2.300 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)CCc3nnc(-c4ccsc4)o3)ccnc1-2 ZINC000801702944 674144626 /nfs/dbraw/zinc/14/46/26/674144626.db2.gz YMTDJKZTYZZQID-UHFFFAOYSA-N -1 1 354.395 2.025 20 0 FEADMM Cc1ncsc1C(=O)NC1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080022526 542558242 /nfs/dbraw/zinc/55/82/42/542558242.db2.gz UOYRUSTXMGICMA-UHFFFAOYSA-N -1 1 363.414 2.331 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCC(=O)N(C)Cc3ccccc3)cnc2n1 ZINC000080404039 542587971 /nfs/dbraw/zinc/58/79/71/542587971.db2.gz VWTKDHRBEFPNIP-UHFFFAOYSA-N -1 1 364.405 2.032 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC(=O)N(C)Cc1ccccc1)c2=O ZINC000080404039 542587974 /nfs/dbraw/zinc/58/79/74/542587974.db2.gz VWTKDHRBEFPNIP-UHFFFAOYSA-N -1 1 364.405 2.032 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084938780 542723370 /nfs/dbraw/zinc/72/33/70/542723370.db2.gz FIJSGZBIBYWHGJ-STQMWFEESA-N -1 1 357.453 2.067 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000359904128 132375655 /nfs/dbraw/zinc/37/56/55/132375655.db2.gz IGKKOBYAEUXSTK-UHFFFAOYSA-N -1 1 350.378 2.003 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2nccnc2c1 ZINC000091160935 542795922 /nfs/dbraw/zinc/79/59/22/542795922.db2.gz NAMDOVPNLHIHOM-UHFFFAOYSA-N -1 1 360.370 2.393 20 0 FEADMM COc1ccc(C(=O)N2CCCC2)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000092267053 542853444 /nfs/dbraw/zinc/85/34/44/542853444.db2.gz DEEACAOFJOYLQG-UHFFFAOYSA-N -1 1 352.456 2.473 20 0 FEADMM O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000101679273 543041178 /nfs/dbraw/zinc/04/11/78/543041178.db2.gz FYBSURPJRYDTDT-UHFFFAOYSA-N -1 1 360.797 2.349 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)N1CCCC[C@@H]1C ZINC000102411903 543068910 /nfs/dbraw/zinc/06/89/10/543068910.db2.gz WJMKQKARSRIJKR-VHSXEESVSA-N -1 1 364.389 2.172 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1C1CCC1 ZINC000102876710 543083702 /nfs/dbraw/zinc/08/37/02/543083702.db2.gz VGYLWFGRHJXXTL-KRWDZBQOSA-N -1 1 352.438 2.474 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)Cc2ccccc2F)C2CCOCC2)n1 ZINC000551888312 674169330 /nfs/dbraw/zinc/16/93/30/674169330.db2.gz BVCBWUUCGXYGBI-OAHLLOKOSA-N -1 1 369.418 2.104 20 0 FEADMM CC[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000103943405 543119018 /nfs/dbraw/zinc/11/90/18/543119018.db2.gz AQJLGXHPDKPHSH-CQSZACIVSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1nc2ccc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)cc2o1 ZINC000104837982 543146688 /nfs/dbraw/zinc/14/66/88/543146688.db2.gz XFPPQXVDUHTWID-UHFFFAOYSA-N -1 1 351.366 2.270 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)nc3)ccc2O1 ZINC000106006830 543184631 /nfs/dbraw/zinc/18/46/31/543184631.db2.gz DFFVJGPMBROLTA-GFCCVEGCSA-N -1 1 356.407 2.392 20 0 FEADMM C[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108593120 543296729 /nfs/dbraw/zinc/29/67/29/543296729.db2.gz PNBRTQJFQXJNEC-CYBMUJFWSA-N -1 1 368.503 2.102 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000108785637 543303371 /nfs/dbraw/zinc/30/33/71/543303371.db2.gz GKAJBWUOHWDFQC-NSHDSACASA-N -1 1 367.331 2.314 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc([S@@](C)=O)c2)c(=O)[n-]1 ZINC000110023053 543346577 /nfs/dbraw/zinc/34/65/77/543346577.db2.gz PKLGHCAVVOAYMI-DEOSSOPVSA-N -1 1 365.480 2.109 20 0 FEADMM O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)Nc1nnn[n-]1 ZINC000111569207 543406676 /nfs/dbraw/zinc/40/66/76/543406676.db2.gz BKSBJDVVHVHDQZ-UHFFFAOYSA-N -1 1 369.332 2.135 20 0 FEADMM O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)Nc1nn[n-]n1 ZINC000111569207 543406679 /nfs/dbraw/zinc/40/66/79/543406679.db2.gz BKSBJDVVHVHDQZ-UHFFFAOYSA-N -1 1 369.332 2.135 20 0 FEADMM CCN1CCCC[C@H]1CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000111509836 543405329 /nfs/dbraw/zinc/40/53/29/543405329.db2.gz CPCVOCJLMYITMT-LBPRGKRZSA-N -1 1 363.487 2.000 20 0 FEADMM COC[C@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000616364096 676247515 /nfs/dbraw/zinc/24/75/15/676247515.db2.gz LFYZVEVJIADVKF-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CC2(OC)CCC2)n[n-]1 ZINC000552008270 674181155 /nfs/dbraw/zinc/18/11/55/674181155.db2.gz QXTJZHGCUWDOGN-GFCCVEGCSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CC2(OC)CCC2)[n-]1 ZINC000552008270 674181158 /nfs/dbraw/zinc/18/11/58/674181158.db2.gz QXTJZHGCUWDOGN-GFCCVEGCSA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CC2(OC)CCC2)n1 ZINC000552008270 674181161 /nfs/dbraw/zinc/18/11/61/674181161.db2.gz QXTJZHGCUWDOGN-GFCCVEGCSA-N -1 1 352.435 2.144 20 0 FEADMM O=C(NCc1cc2n(n1)CCCO2)c1cc(Br)ccc1[O-] ZINC000552120706 674188774 /nfs/dbraw/zinc/18/87/74/674188774.db2.gz ZYZWAEOLTBOBEO-UHFFFAOYSA-N -1 1 352.188 2.064 20 0 FEADMM CCC[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1nn[n-]n1 ZINC000122722726 543720320 /nfs/dbraw/zinc/72/03/20/543720320.db2.gz HEQSRYLJMBMWAG-MNOVXSKESA-N -1 1 366.219 2.096 20 0 FEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1Cl ZINC000123443352 543761848 /nfs/dbraw/zinc/76/18/48/543761848.db2.gz GPSSDSAHGPQYTR-GFCCVEGCSA-N -1 1 357.840 2.147 20 0 FEADMM Cc1ccccc1-n1ccnc1SCC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000124524792 543827662 /nfs/dbraw/zinc/82/76/62/543827662.db2.gz MLMMVVPALSGVBY-ZDUSSCGKSA-N -1 1 371.470 2.048 20 0 FEADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000125231448 543868869 /nfs/dbraw/zinc/86/88/69/543868869.db2.gz PGRARGHOIZNNPL-LLVKDONJSA-N -1 1 351.371 2.486 20 0 FEADMM CCN(C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1)C1CCCCC1 ZINC000127151355 543975465 /nfs/dbraw/zinc/97/54/65/543975465.db2.gz DXOIRKWAYZGERC-NSHDSACASA-N -1 1 354.476 2.026 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127158914 543976038 /nfs/dbraw/zinc/97/60/38/543976038.db2.gz NCGIIDXAVKWIBX-VIFPVBQESA-N -1 1 368.846 2.445 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCC(=O)Nc3cccc(F)c3)cnc2n1 ZINC000126557495 543943373 /nfs/dbraw/zinc/94/33/73/543943373.db2.gz BNDVYZUWLFTZBP-UHFFFAOYSA-N -1 1 354.341 2.151 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC(=O)Nc1cccc(F)c1)c2=O ZINC000126557495 543943375 /nfs/dbraw/zinc/94/33/75/543943375.db2.gz BNDVYZUWLFTZBP-UHFFFAOYSA-N -1 1 354.341 2.151 20 0 FEADMM C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000126721663 543953500 /nfs/dbraw/zinc/95/35/00/543953500.db2.gz UEUBTHGQCWBHHF-GLJUWKHASA-N -1 1 370.449 2.283 20 0 FEADMM CCCCNC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000127728268 544010387 /nfs/dbraw/zinc/01/03/87/544010387.db2.gz AYJPPGVNPMIRMM-UHFFFAOYSA-N -1 1 365.455 2.300 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000127335023 543987255 /nfs/dbraw/zinc/98/72/55/543987255.db2.gz VMFMBQWQENWEFD-UONOGXRCSA-N -1 1 367.515 2.395 20 0 FEADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1sccc1Br)C1CC1 ZINC000129069198 544089235 /nfs/dbraw/zinc/08/92/35/544089235.db2.gz RRMDPOYRFBSSMB-LLVKDONJSA-N -1 1 368.274 2.131 20 0 FEADMM Cc1cc(NC(=O)c2cc(I)ccc2[O-])c[nH]c1=O ZINC000129656453 544122294 /nfs/dbraw/zinc/12/22/94/544122294.db2.gz MVSMOKBEYSWFBT-UHFFFAOYSA-N -1 1 370.146 2.246 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])s1 ZINC000130514759 544154404 /nfs/dbraw/zinc/15/44/04/544154404.db2.gz DKPLXTHWMJBBMU-UHFFFAOYSA-N -1 1 352.437 2.455 20 0 FEADMM C[C@H]1CN(CCC[N-]S(=O)(=O)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000131064006 544175952 /nfs/dbraw/zinc/17/59/52/544175952.db2.gz JFBILMYALUMCOG-RYUDHWBXSA-N -1 1 364.870 2.257 20 0 FEADMM Cc1ccc(CO)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000132019035 544215467 /nfs/dbraw/zinc/21/54/67/544215467.db2.gz IEJJBQJSZAJWJM-UHFFFAOYSA-N -1 1 366.439 2.409 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-n3cnnc3C)c2)c1 ZINC000133366837 544266522 /nfs/dbraw/zinc/26/65/22/544266522.db2.gz LNRYOKMUMRPDJE-UHFFFAOYSA-N -1 1 351.366 2.492 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@@H](Oc3ccc(F)cc3)C1)c2=O ZINC000133769325 544282597 /nfs/dbraw/zinc/28/25/97/544282597.db2.gz PGFQIRSHCIVLCX-CYBMUJFWSA-N -1 1 356.357 2.107 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2ccc(Br)o2)s1 ZINC000134416320 544307209 /nfs/dbraw/zinc/30/72/09/544307209.db2.gz IUFZLKCGARNUJT-UHFFFAOYSA-N -1 1 360.189 2.252 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)ccc1C ZINC000134449085 544308129 /nfs/dbraw/zinc/30/81/29/544308129.db2.gz SVCZLLIOEKYMEA-UHFFFAOYSA-N -1 1 361.379 2.189 20 0 FEADMM COCc1nc2n(n1)C[C@@H](NC(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000138362172 544395718 /nfs/dbraw/zinc/39/57/18/544395718.db2.gz NQXZXUUQWLFXHR-AWEZNQCLSA-N -1 1 352.394 2.028 20 0 FEADMM CCC[C@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000136629235 544375309 /nfs/dbraw/zinc/37/53/09/544375309.db2.gz VVHIAJIJIJWOEW-LBPRGKRZSA-N -1 1 367.862 2.427 20 0 FEADMM CCC[C@@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1)c1nn[n-]n1 ZINC000136738295 544378135 /nfs/dbraw/zinc/37/81/35/544378135.db2.gz PAQWRFAEZJSLRD-GFCCVEGCSA-N -1 1 372.408 2.314 20 0 FEADMM CCC[C@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1nn[n-]n1 ZINC000136733136 544378152 /nfs/dbraw/zinc/37/81/52/544378152.db2.gz ADJFRNQATZAVQL-AWEZNQCLSA-N -1 1 370.413 2.454 20 0 FEADMM O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000151335255 544530401 /nfs/dbraw/zinc/53/04/01/544530401.db2.gz ZZKOHZNZBQSTDA-UHFFFAOYSA-N -1 1 357.790 2.388 20 0 FEADMM O=C(Nc1nn[n-]n1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000151752796 544576218 /nfs/dbraw/zinc/57/62/18/544576218.db2.gz IWTVCWFNKDEUQZ-UHFFFAOYSA-N -1 1 355.141 2.326 20 0 FEADMM COc1cc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)cc(Cl)c1[O-] ZINC000153987927 544848953 /nfs/dbraw/zinc/84/89/53/544848953.db2.gz OLPBQFADSWNKQB-UHFFFAOYSA-N -1 1 359.773 2.410 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CCO)c2)c1 ZINC000153894967 544836663 /nfs/dbraw/zinc/83/66/63/544836663.db2.gz NPJDVFKGMIZWGO-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CCCS2)o1 ZINC000154363123 544896367 /nfs/dbraw/zinc/89/63/67/544896367.db2.gz LOHSIHNYCGEOLS-OAHLLOKOSA-N -1 1 360.501 2.372 20 0 FEADMM COc1cc(S(=O)(=O)[N-]CC(F)F)c(OC)cc1Br ZINC000154504850 544914147 /nfs/dbraw/zinc/91/41/47/544914147.db2.gz GIDCHDLFWOKDCX-UHFFFAOYSA-N -1 1 360.176 2.010 20 0 FEADMM CC[C@@H](CCO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000154698686 544938675 /nfs/dbraw/zinc/93/86/75/544938675.db2.gz RLDQQHWUDCVDOJ-HNNXBMFYSA-N -1 1 362.451 2.378 20 0 FEADMM CC(C)[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])N1CC[NH+](C)CC1 ZINC000155114846 544991796 /nfs/dbraw/zinc/99/17/96/544991796.db2.gz RDPFVCCPGKTENX-HNNXBMFYSA-N -1 1 357.857 2.187 20 0 FEADMM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccc([O-])cc1F ZINC000154882823 544961531 /nfs/dbraw/zinc/96/15/31/544961531.db2.gz MPQLSSBEYAQECI-UHFFFAOYSA-N -1 1 356.353 2.338 20 0 FEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@@H](C)[C@@H]1OC ZINC000552649367 674218508 /nfs/dbraw/zinc/21/85/08/674218508.db2.gz WDPQBYQHIRFZRF-HONMWMINSA-N -1 1 359.444 2.184 20 0 FEADMM CC[C@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000552596844 674216201 /nfs/dbraw/zinc/21/62/01/674216201.db2.gz WRAJSYULJVRDLC-HNNXBMFYSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCc1ccccn1 ZINC000179070895 327624255 /nfs/dbraw/zinc/62/42/55/327624255.db2.gz MHMFEANLBGAJHA-UHFFFAOYSA-N -1 1 353.426 2.128 20 0 FEADMM C[C@@H]1[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1(=O)=O ZINC000180568557 327691296 /nfs/dbraw/zinc/69/12/96/327691296.db2.gz HYDBZCCOLVHMSJ-DTWKUNHWSA-N -1 1 351.346 2.059 20 0 FEADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([O-])cc1F ZINC000181054246 327714324 /nfs/dbraw/zinc/71/43/24/327714324.db2.gz VDTYIIZKUAMDCO-HNNXBMFYSA-N -1 1 350.415 2.396 20 0 FEADMM CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000182869992 327791899 /nfs/dbraw/zinc/79/18/99/327791899.db2.gz COIGRXWJTGSIHK-UHFFFAOYSA-N -1 1 360.863 2.482 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1Cc2ccccc2C1 ZINC000183566852 327824410 /nfs/dbraw/zinc/82/44/10/327824410.db2.gz CFNSHYMOASBLKX-UHFFFAOYSA-N -1 1 374.444 2.357 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccsc1 ZINC000184251615 327858420 /nfs/dbraw/zinc/85/84/20/327858420.db2.gz PMSPUTPPIUVLIW-OAHLLOKOSA-N -1 1 362.432 2.489 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000184966180 327892365 /nfs/dbraw/zinc/89/23/65/327892365.db2.gz IZHQASZDZSYYCV-CQSZACIVSA-N -1 1 354.472 2.092 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000185860679 327936168 /nfs/dbraw/zinc/93/61/68/327936168.db2.gz LYKQFCVOBIXAPR-UHFFFAOYSA-N -1 1 369.465 2.500 20 0 FEADMM C[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cn(C)c2ccccc12 ZINC000185917161 327939022 /nfs/dbraw/zinc/93/90/22/327939022.db2.gz HVCDDVPXBXNUPR-LLVKDONJSA-N -1 1 373.434 2.274 20 0 FEADMM CCN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000185995098 327942698 /nfs/dbraw/zinc/94/26/98/327942698.db2.gz HLUDIHHRPFQOKT-UHFFFAOYSA-N -1 1 359.662 2.403 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1C ZINC000188048510 328062791 /nfs/dbraw/zinc/06/27/91/328062791.db2.gz SGWFOYGEZZSJIZ-KOLCDFICSA-N -1 1 356.216 2.426 20 0 FEADMM CC(=O)N[C@H](C(=O)Nc1nc(Br)ccc1[O-])C1CCCC1 ZINC000188339231 328081660 /nfs/dbraw/zinc/08/16/60/328081660.db2.gz ZCZSSUQRFPOIKE-LBPRGKRZSA-N -1 1 356.220 2.183 20 0 FEADMM Cc1ccc(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1Br ZINC000188792146 328111041 /nfs/dbraw/zinc/11/10/41/328111041.db2.gz AZJNWHLHELWODN-SNVBAGLBSA-N -1 1 352.236 2.075 20 0 FEADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)c1nn[n-]n1 ZINC000188792053 328111152 /nfs/dbraw/zinc/11/11/52/328111152.db2.gz XDUSSWIUUMXBPJ-NXEZZACHSA-N -1 1 357.336 2.248 20 0 FEADMM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000189049948 328125747 /nfs/dbraw/zinc/12/57/47/328125747.db2.gz VOYYZTJWNKTEGP-GFCCVEGCSA-N -1 1 355.232 2.141 20 0 FEADMM CSCc1cccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000189482730 328150948 /nfs/dbraw/zinc/15/09/48/328150948.db2.gz FPLGHPFKLCYIGT-UHFFFAOYSA-N -1 1 370.478 2.361 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]1CO ZINC000189504737 328152017 /nfs/dbraw/zinc/15/20/17/328152017.db2.gz VQOBRYMHDUUNDX-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)co1 ZINC000190276763 328197687 /nfs/dbraw/zinc/19/76/87/328197687.db2.gz CLHNAIMUKGAQPS-UHFFFAOYSA-N -1 1 374.422 2.243 20 0 FEADMM CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000191414046 328264604 /nfs/dbraw/zinc/26/46/04/328264604.db2.gz JGDPWBUPBPWVAJ-ZDUSSCGKSA-N -1 1 355.232 2.070 20 0 FEADMM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000191804199 328283061 /nfs/dbraw/zinc/28/30/61/328283061.db2.gz MYTZZNNRNJHDKE-GDBMZVCRSA-N -1 1 354.406 2.277 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1Cl ZINC000192132638 328301306 /nfs/dbraw/zinc/30/13/06/328301306.db2.gz XQUPTHYKKMUAMD-UHFFFAOYSA-N -1 1 363.716 2.305 20 0 FEADMM CC(C)(C)[C@@H](CO)NC(=O)c1cc(I)ccc1[O-] ZINC000192877800 328344499 /nfs/dbraw/zinc/34/44/99/328344499.db2.gz APZWZXNKTXOZAR-LLVKDONJSA-N -1 1 363.195 2.134 20 0 FEADMM O=C(NCCc1ccccn1)c1cc(I)ccc1[O-] ZINC000194002500 328406167 /nfs/dbraw/zinc/40/61/67/328406167.db2.gz ADEXLWKDTGFPTK-UHFFFAOYSA-N -1 1 368.174 2.364 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000195070495 328454541 /nfs/dbraw/zinc/45/45/41/328454541.db2.gz CCUOWSDZRRZCFR-LBPRGKRZSA-N -1 1 368.256 2.414 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(C)(C)C)cc2)o1 ZINC000029346080 324446684 /nfs/dbraw/zinc/44/66/84/324446684.db2.gz SVPFXPAEVMBCLS-UHFFFAOYSA-N -1 1 364.467 2.458 20 0 FEADMM CC(C)(O)C(C)(C)NC(=O)c1cc(I)ccc1[O-] ZINC000232581513 328488047 /nfs/dbraw/zinc/48/80/47/328488047.db2.gz SBLZXGSRIYBLNT-UHFFFAOYSA-N -1 1 363.195 2.276 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)NCc1ccccc1 ZINC000057007352 324818782 /nfs/dbraw/zinc/81/87/82/324818782.db2.gz QELQHDXSJFVCNE-SNVBAGLBSA-N -1 1 372.368 2.087 20 0 FEADMM COC(=O)[C@@H](C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000080594121 325136448 /nfs/dbraw/zinc/13/64/48/325136448.db2.gz VEEPUGIVUJXHHD-LRDDRELGSA-N -1 1 365.389 2.203 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c1 ZINC000080938823 325149526 /nfs/dbraw/zinc/14/95/26/325149526.db2.gz AKYHPPIGJXZOAJ-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000081966769 325205435 /nfs/dbraw/zinc/20/54/35/325205435.db2.gz GTJUPXAYDJYFRZ-QGZVFWFLSA-N -1 1 362.376 2.474 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCCC1 ZINC000084938162 325246877 /nfs/dbraw/zinc/24/68/77/325246877.db2.gz KDUOOMIUVLONGM-UHFFFAOYSA-N -1 1 350.440 2.360 20 0 FEADMM CCC[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CC)n1)c1ccccc1 ZINC000086170286 325261203 /nfs/dbraw/zinc/26/12/03/325261203.db2.gz STWMXOWDCRVFPK-GXTWGEPZSA-N -1 1 364.471 2.187 20 0 FEADMM CCN(CC)C(=O)CCC(=O)N1CCC[C@H](c2n[n-]c(=S)n2CC)C1 ZINC000087315809 325279141 /nfs/dbraw/zinc/27/91/41/325279141.db2.gz HISGLLDTMJLHTA-ZDUSSCGKSA-N -1 1 367.519 2.315 20 0 FEADMM COc1ccc(F)c([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000088546958 325296883 /nfs/dbraw/zinc/29/68/83/325296883.db2.gz KNDCXEWKNBETTD-UHFFFAOYSA-N -1 1 367.402 2.199 20 0 FEADMM Cn1c(CNC(=O)c2cc(N3CCCC3=O)ccc2Cl)n[n-]c1=S ZINC000089817069 325335468 /nfs/dbraw/zinc/33/54/68/325335468.db2.gz URMGPBQAZZYCHJ-UHFFFAOYSA-N -1 1 365.846 2.188 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)[C@H]1COc2ccc(F)cc2C1 ZINC000090565233 325364357 /nfs/dbraw/zinc/36/43/57/325364357.db2.gz JWUHWJKCEPAVFI-LLVKDONJSA-N -1 1 362.430 2.325 20 0 FEADMM Cn1c(C2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)n[n-]c1=S ZINC000091442544 325386688 /nfs/dbraw/zinc/38/66/88/325386688.db2.gz LDCLFTDNPXAGDS-AWEZNQCLSA-N -1 1 364.446 2.446 20 0 FEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094097574 325452952 /nfs/dbraw/zinc/45/29/52/325452952.db2.gz DYHBBCLSULAGPC-SNVBAGLBSA-N -1 1 352.387 2.012 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CO)ccc2C)c1 ZINC000097203305 325458741 /nfs/dbraw/zinc/45/87/41/325458741.db2.gz JDBJHEHUOOOQEM-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM CCN(CCO)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000098075242 325465530 /nfs/dbraw/zinc/46/55/30/325465530.db2.gz YKXJPCSTLDULQS-UHFFFAOYSA-N -1 1 362.451 2.250 20 0 FEADMM COCCOC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000116981363 326045900 /nfs/dbraw/zinc/04/59/00/326045900.db2.gz QSQKVUBOPZSWSK-UHFFFAOYSA-N -1 1 358.232 2.422 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCc2c(C)nn(C)c2Cl)c(=O)[n-]1 ZINC000118604668 326094558 /nfs/dbraw/zinc/09/45/58/326094558.db2.gz QUUWUPWWJJBWEW-UHFFFAOYSA-N -1 1 370.862 2.172 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccnc2ccnn21 ZINC000118677184 326097590 /nfs/dbraw/zinc/09/75/90/326097590.db2.gz JTENFRPZSYPMMC-UHFFFAOYSA-N -1 1 359.411 2.133 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC=C(c3ccc(O)cc3)CC1)c2=O ZINC000119123120 326129304 /nfs/dbraw/zinc/12/93/04/326129304.db2.gz UJFBOBNKBYKQAP-UHFFFAOYSA-N -1 1 350.378 2.309 20 0 FEADMM CC[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1nc2ccccc2[nH]1 ZINC000119211104 326137866 /nfs/dbraw/zinc/13/78/66/326137866.db2.gz OQHAEWBHQHHWAW-GFCCVEGCSA-N -1 1 350.382 2.431 20 0 FEADMM O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1c([O-])cccc1F ZINC000119285593 326145201 /nfs/dbraw/zinc/14/52/01/326145201.db2.gz LROXZLPYCRGLFC-INIZCTEOSA-N -1 1 362.376 2.474 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000120326312 326250147 /nfs/dbraw/zinc/25/01/47/326250147.db2.gz DYWDREIAMMMPKP-NSHDSACASA-N -1 1 365.231 2.299 20 0 FEADMM CN(CCO)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000120379580 326253996 /nfs/dbraw/zinc/25/39/96/326253996.db2.gz AUAANFFYGVLEQU-UHFFFAOYSA-N -1 1 368.842 2.205 20 0 FEADMM Cc1ccc(C(=O)NC[C@H](C)O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000120647460 326275726 /nfs/dbraw/zinc/27/57/26/326275726.db2.gz WDTFGEUOXRNSPX-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM C[C@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000120647066 326276069 /nfs/dbraw/zinc/27/60/69/326276069.db2.gz AAJQDAIKLIDVHT-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)O)ccc2C)cc1 ZINC000120655893 326276427 /nfs/dbraw/zinc/27/64/27/326276427.db2.gz OVHQCGHVTYYSCX-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM CCOc1ccnc(N2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)n1 ZINC000120710596 326281152 /nfs/dbraw/zinc/28/11/52/326281152.db2.gz OFVWDUQLESTBFK-UHFFFAOYSA-N -1 1 360.389 2.073 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000120814797 326290137 /nfs/dbraw/zinc/29/01/37/326290137.db2.gz IXIPFKKNMXTVIL-OLZOCXBDSA-N -1 1 372.375 2.338 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000120815102 326290423 /nfs/dbraw/zinc/29/04/23/326290423.db2.gz IXIPFKKNMXTVIL-STQMWFEESA-N -1 1 372.375 2.338 20 0 FEADMM CCOc1ccccc1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000121358180 326332094 /nfs/dbraw/zinc/33/20/94/326332094.db2.gz RMVPGLVZTLKUGV-UHFFFAOYSA-N -1 1 354.410 2.244 20 0 FEADMM CC(C)N(C1CCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000121686949 326358188 /nfs/dbraw/zinc/35/81/88/326358188.db2.gz UFOYVOKVZFFVGH-UHFFFAOYSA-N -1 1 364.464 2.149 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3c2cccc3Cl)co1 ZINC000122514509 326399901 /nfs/dbraw/zinc/39/99/01/326399901.db2.gz ZRLPRTHSMQXKOP-ZDUSSCGKSA-N -1 1 354.815 2.258 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1cc2ccccc2o1 ZINC000123684043 326440507 /nfs/dbraw/zinc/44/05/07/326440507.db2.gz BJRAUICQMPNWBV-UHFFFAOYSA-N -1 1 364.405 2.287 20 0 FEADMM C[C@H](O)CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000125575116 326474031 /nfs/dbraw/zinc/47/40/31/326474031.db2.gz MSSWYKVQMNHZES-AWEZNQCLSA-N -1 1 362.451 2.330 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)CO)c2)c1 ZINC000126018696 326481722 /nfs/dbraw/zinc/48/17/22/326481722.db2.gz MCNYFERDWMYPMT-CQSZACIVSA-N -1 1 362.451 2.249 20 0 FEADMM CCCN(CCO)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000128718352 326528652 /nfs/dbraw/zinc/52/86/52/326528652.db2.gz YGYJRAPGZFJMCA-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2N2CCCC2)co1 ZINC000128939490 326532062 /nfs/dbraw/zinc/53/20/62/326532062.db2.gz CZTUPEVWAKNFNF-UHFFFAOYSA-N -1 1 367.402 2.179 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1 ZINC000130504006 326558228 /nfs/dbraw/zinc/55/82/28/326558228.db2.gz HDHOHHHZAHBGRG-UHFFFAOYSA-N -1 1 371.422 2.417 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)co1 ZINC000132066743 326586627 /nfs/dbraw/zinc/58/66/27/326586627.db2.gz IMQNLYJTZFZHTQ-VIFPVBQESA-N -1 1 371.484 2.433 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1F ZINC000151473038 326683227 /nfs/dbraw/zinc/68/32/27/326683227.db2.gz BCAKGQXNBBNMCN-UHFFFAOYSA-N -1 1 363.414 2.379 20 0 FEADMM Cc1cccc([C@@H](O)CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000153382300 326731602 /nfs/dbraw/zinc/73/16/02/326731602.db2.gz PVXZWFLTNFAGHA-KRWDZBQOSA-N -1 1 368.437 2.143 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000154906550 326772119 /nfs/dbraw/zinc/77/21/19/326772119.db2.gz LHAKTDDWGHDODO-HNNXBMFYSA-N -1 1 360.458 2.258 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1F ZINC000157453196 326865946 /nfs/dbraw/zinc/86/59/46/326865946.db2.gz NPBHKKXTEHXMOA-NSHDSACASA-N -1 1 357.357 2.056 20 0 FEADMM COc1cc2nc(-c3ccc4c(c3)CCC(=O)N4)[n-]c(=O)c2cc1OC ZINC000158669964 326903345 /nfs/dbraw/zinc/90/33/45/326903345.db2.gz YHTLETRKLSXSEN-UHFFFAOYSA-N -1 1 351.362 2.492 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)co1 ZINC000162224632 327020194 /nfs/dbraw/zinc/02/01/94/327020194.db2.gz OXKRDKTVKBRBRA-VHSXEESVSA-N -1 1 354.350 2.039 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000163657649 327056182 /nfs/dbraw/zinc/05/61/82/327056182.db2.gz PKKAZWYDAHQEII-NSHDSACASA-N -1 1 354.122 2.294 20 0 FEADMM COc1ccccc1SCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000164148395 327065494 /nfs/dbraw/zinc/06/54/94/327065494.db2.gz HKAIKANXBBEDAM-UHFFFAOYSA-N -1 1 372.450 2.057 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCOc1ccccc1Cl ZINC000164237570 327067081 /nfs/dbraw/zinc/06/70/81/327067081.db2.gz SYPOKAXKHGTVQJ-UHFFFAOYSA-N -1 1 374.828 2.031 20 0 FEADMM CCC[C@H](NC(=O)Cc1cc(OC)ccc1Br)c1nn[n-]n1 ZINC000164430667 327070187 /nfs/dbraw/zinc/07/01/87/327070187.db2.gz VPARXKGIPPFUGU-LBPRGKRZSA-N -1 1 368.235 2.171 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000164598234 327072449 /nfs/dbraw/zinc/07/24/49/327072449.db2.gz SMQJCMVMHWOFGT-ZDUSSCGKSA-N -1 1 374.359 2.041 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c1Cl ZINC000171041612 327114186 /nfs/dbraw/zinc/11/41/86/327114186.db2.gz CJCQGCZLPOMUEG-QWHCGFSZSA-N -1 1 355.847 2.272 20 0 FEADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000171261567 327128331 /nfs/dbraw/zinc/12/83/31/327128331.db2.gz CICCOSICKXRXHQ-LLVKDONJSA-N -1 1 360.801 2.327 20 0 FEADMM O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ncccc1[O-] ZINC000171274662 327129030 /nfs/dbraw/zinc/12/90/30/327129030.db2.gz CIVDPSVWAXQDIM-SECBINFHSA-N -1 1 357.193 2.264 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000171281228 327129472 /nfs/dbraw/zinc/12/94/72/327129472.db2.gz OEDQBHCKMKYODZ-UHFFFAOYSA-N -1 1 371.828 2.046 20 0 FEADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2C1 ZINC000171346081 327133563 /nfs/dbraw/zinc/13/35/63/327133563.db2.gz JGXZCVDIDUUAIB-UHFFFAOYSA-N -1 1 359.451 2.312 20 0 FEADMM COCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000171419489 327138486 /nfs/dbraw/zinc/13/84/86/327138486.db2.gz SZNAEYRCBYATII-UHFFFAOYSA-N -1 1 358.204 2.432 20 0 FEADMM Cc1cc(C)c(OCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000172222355 327187932 /nfs/dbraw/zinc/18/79/32/327187932.db2.gz DVVUKNNKYMCHSR-UHFFFAOYSA-N -1 1 368.437 2.260 20 0 FEADMM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000172898910 327225541 /nfs/dbraw/zinc/22/55/41/327225541.db2.gz HEDQEQXVEYOTRE-UHFFFAOYSA-N -1 1 361.398 2.327 20 0 FEADMM COC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(C)o1 ZINC000174617757 327339041 /nfs/dbraw/zinc/33/90/41/327339041.db2.gz ARQOFNZNQRHPDK-OAHLLOKOSA-N -1 1 372.425 2.390 20 0 FEADMM CCCCO[C@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(C)C ZINC000176879426 327481239 /nfs/dbraw/zinc/48/12/39/327481239.db2.gz MBXPTQWBFFGEHV-HOTGVXAUSA-N -1 1 374.485 2.282 20 0 FEADMM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000178827593 327609766 /nfs/dbraw/zinc/60/97/66/327609766.db2.gz RNDIRSGOVKMRFU-UHFFFAOYSA-N -1 1 366.405 2.323 20 0 FEADMM CCC[C@@H](N[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000262328489 328859299 /nfs/dbraw/zinc/85/92/99/328859299.db2.gz XOGUDBJTZUQUNF-SWLSCSKDSA-N -1 1 356.850 2.409 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2ccccc2C)o1 ZINC000263675618 328951090 /nfs/dbraw/zinc/95/10/90/328951090.db2.gz FZQWKGANFRNDNA-UHFFFAOYSA-N -1 1 350.440 2.204 20 0 FEADMM COc1ccc([C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000264271264 329006486 /nfs/dbraw/zinc/00/64/86/329006486.db2.gz WVGQQNCRXSEMCA-NSHDSACASA-N -1 1 354.410 2.068 20 0 FEADMM CCOc1cc(-c2noc(CNC(=O)OC)n2)cc(Br)c1[O-] ZINC000265063352 329087079 /nfs/dbraw/zinc/08/70/79/329087079.db2.gz VRSBWQOXBQRFOP-UHFFFAOYSA-N -1 1 372.175 2.459 20 0 FEADMM CCc1cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)nc(C)[nH+]1 ZINC000265968144 329177568 /nfs/dbraw/zinc/17/75/68/329177568.db2.gz ACWOPAZLEAVZQZ-UHFFFAOYSA-N -1 1 366.512 2.356 20 0 FEADMM COC(=O)CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000266746850 329255419 /nfs/dbraw/zinc/25/54/19/329255419.db2.gz BGVRUVSTJZEQAF-UHFFFAOYSA-N -1 1 367.379 2.193 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000266974099 329278868 /nfs/dbraw/zinc/27/88/68/329278868.db2.gz VBBBRGYZKYUHHR-NSHDSACASA-N -1 1 361.423 2.125 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000266990703 329280809 /nfs/dbraw/zinc/28/08/09/329280809.db2.gz VBNBOKPSPSDOFY-UHFFFAOYSA-N -1 1 366.462 2.385 20 0 FEADMM O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc(O)cc1[O-] ZINC000267852211 329363165 /nfs/dbraw/zinc/36/31/65/329363165.db2.gz FYNWMKPXFXRMAD-UHFFFAOYSA-N -1 1 356.378 2.259 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)n1 ZINC000268341401 329410014 /nfs/dbraw/zinc/41/00/14/329410014.db2.gz CJOGGAISDYZAJL-UHFFFAOYSA-N -1 1 361.423 2.326 20 0 FEADMM COC(=O)CCc1csc(NC(=O)c2cc(NC(C)=O)ccc2[O-])n1 ZINC000268973181 329473981 /nfs/dbraw/zinc/47/39/81/329473981.db2.gz FLHPZTBOTGKNOV-UHFFFAOYSA-N -1 1 363.395 2.165 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1F ZINC000271485778 329697315 /nfs/dbraw/zinc/69/73/15/329697315.db2.gz YOZCMENKIYPRNU-SECBINFHSA-N -1 1 351.346 2.068 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000271606735 329707182 /nfs/dbraw/zinc/70/71/82/329707182.db2.gz VFJCACAYQCMMQX-NWDGAFQWSA-N -1 1 371.459 2.003 20 0 FEADMM CCN1CCC([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000271743487 329721122 /nfs/dbraw/zinc/72/11/22/329721122.db2.gz RQIVXEMEMUVIOB-UHFFFAOYSA-N -1 1 358.332 2.145 20 0 FEADMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272082052 329750513 /nfs/dbraw/zinc/75/05/13/329750513.db2.gz BFHITQBBFUOYRR-LLVKDONJSA-N -1 1 353.271 2.464 20 0 FEADMM CC[C@H]1C[C@@H](C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000272561511 329792230 /nfs/dbraw/zinc/79/22/30/329792230.db2.gz VMJQPQMHFNLRRL-AAEUAGOBSA-N -1 1 356.444 2.210 20 0 FEADMM CO[C@@H](C)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000276072347 330116692 /nfs/dbraw/zinc/11/66/92/330116692.db2.gz SSUYDJINRHOXHC-QMMMGPOBSA-N -1 1 350.293 2.268 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NCCCCCO)c1)OCC(F)(F)F ZINC000279091414 330174963 /nfs/dbraw/zinc/17/49/63/330174963.db2.gz BJMWBWDEQCZCKD-UHFFFAOYSA-N -1 1 364.320 2.395 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCOCC1(C)C ZINC000299679119 330197518 /nfs/dbraw/zinc/19/75/18/330197518.db2.gz RGZSFEHLVXLYHS-UHFFFAOYSA-N -1 1 356.426 2.123 20 0 FEADMM CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc2O1 ZINC000367114781 330218316 /nfs/dbraw/zinc/21/83/16/330218316.db2.gz QFRWKCZJSBNBIE-GOSISDBHSA-N -1 1 369.421 2.500 20 0 FEADMM O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000367123014 330219825 /nfs/dbraw/zinc/21/98/25/330219825.db2.gz KKDUGAPTOKQCQO-SECBINFHSA-N -1 1 354.183 2.121 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C1)c2=O ZINC000367243419 330235272 /nfs/dbraw/zinc/23/52/72/330235272.db2.gz JVQFUIMEPMYUNF-UVARLRKDSA-N -1 1 370.453 2.484 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(C)c(CC)o3)CC2)n1 ZINC000369322680 330239139 /nfs/dbraw/zinc/23/91/39/330239139.db2.gz SDBMJEPXTSRFOR-UHFFFAOYSA-N -1 1 360.414 2.465 20 0 FEADMM COc1cc(C(=O)[N-]c2cc(F)cc(F)c2F)sc1S(N)(=O)=O ZINC000554056225 674301720 /nfs/dbraw/zinc/30/17/20/674301720.db2.gz UGKZZRJLXXHHMA-UHFFFAOYSA-N -1 1 366.342 2.074 20 0 FEADMM CCN(C)C(=O)c1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000805445552 674337068 /nfs/dbraw/zinc/33/70/68/674337068.db2.gz YZJPHYRJQBJOLP-UHFFFAOYSA-N -1 1 355.423 2.362 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000555135512 674349394 /nfs/dbraw/zinc/34/93/94/674349394.db2.gz HUWOPCSCYJNUFS-UHFFFAOYSA-N -1 1 363.317 2.406 20 0 FEADMM C[C@@H]1CSC[C@@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788136 674354109 /nfs/dbraw/zinc/35/41/09/674354109.db2.gz AGLUZDMDNAUYIT-OSUNSFLBSA-N -1 1 367.437 2.225 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1Cl ZINC000555426464 674361277 /nfs/dbraw/zinc/36/12/77/674361277.db2.gz ZLEATAPGYZPLIQ-UHFFFAOYSA-N -1 1 367.814 2.258 20 0 FEADMM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCCOCC(F)(F)F)[n-]1 ZINC000155346462 545514952 /nfs/dbraw/zinc/51/49/52/545514952.db2.gz BSHTVLAHVFXJJO-HSZRJFAPSA-N -1 1 366.283 2.419 20 0 FEADMM O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(SCCO)n[nH]1 ZINC000155369792 545519061 /nfs/dbraw/zinc/51/90/61/545519061.db2.gz SWESZOMYGMMHQW-UHFFFAOYSA-N -1 1 361.452 2.194 20 0 FEADMM C[C@H](SCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1nc2ccccc2[nH]1 ZINC000155533232 545539305 /nfs/dbraw/zinc/53/93/05/545539305.db2.gz HCLKWGIMLZJNAQ-NWDGAFQWSA-N -1 1 371.470 2.276 20 0 FEADMM Cc1cccc([C@H](C)CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000494527378 538553078 /nfs/dbraw/zinc/55/30/78/538553078.db2.gz NKXCXUBLACOCJZ-CYBMUJFWSA-N -1 1 360.487 2.064 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000477405733 561144159 /nfs/dbraw/zinc/14/41/59/561144159.db2.gz XYAVMEFUOHDBIO-UHFFFAOYSA-N -1 1 362.363 2.050 20 0 FEADMM N=c1nc(N2CCN(C(=O)Nc3cccc(-n4cccc4)c3)CC2)s[n-]1 ZINC000478101848 561160026 /nfs/dbraw/zinc/16/00/26/561160026.db2.gz OAQFVLAAWQCGQV-UHFFFAOYSA-N -1 1 369.454 2.265 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)co1 ZINC000159701711 545974109 /nfs/dbraw/zinc/97/41/09/545974109.db2.gz BVETYPPXRHNPOL-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM COc1cc(C(=O)N(CCCO)Cc2ccccn2)cc(Cl)c1[O-] ZINC000478529381 561168977 /nfs/dbraw/zinc/16/89/77/561168977.db2.gz NFKQXXNTRQSMBQ-UHFFFAOYSA-N -1 1 350.802 2.474 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C)c1 ZINC000478678959 561172660 /nfs/dbraw/zinc/17/26/60/561172660.db2.gz WSEDTLVGHXBULS-UHFFFAOYSA-N -1 1 352.387 2.060 20 0 FEADMM C[C@@H](CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)[S@@](C)=O ZINC000165953424 546154166 /nfs/dbraw/zinc/15/41/66/546154166.db2.gz UFSCJQBJLAZFOQ-CANCMXDXSA-N -1 1 366.483 2.154 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1 ZINC000171014018 546185703 /nfs/dbraw/zinc/18/57/03/546185703.db2.gz JWDBMUVKZGGYLN-UHFFFAOYSA-N -1 1 372.406 2.239 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000175759235 546345391 /nfs/dbraw/zinc/34/53/91/546345391.db2.gz FPWWZZDTRCRQNA-ZDUSSCGKSA-N -1 1 363.340 2.409 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ncc(C)s2)o1 ZINC000175886568 546366895 /nfs/dbraw/zinc/36/68/95/546366895.db2.gz VGRSPHPEVVWPIW-UHFFFAOYSA-N -1 1 358.441 2.435 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000175996759 546387652 /nfs/dbraw/zinc/38/76/52/546387652.db2.gz FFQVCLPSXYZLOP-UHFFFAOYSA-N -1 1 366.425 2.268 20 0 FEADMM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000480245314 561205745 /nfs/dbraw/zinc/20/57/45/561205745.db2.gz ZNRIUOMPRHTXHO-NSHDSACASA-N -1 1 367.427 2.427 20 0 FEADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cncc([O-])c1 ZINC000176434994 546445335 /nfs/dbraw/zinc/44/53/35/546445335.db2.gz CLPNOFCIRQUSOD-CYBMUJFWSA-N -1 1 370.327 2.318 20 0 FEADMM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1cc(F)c(F)cc1F ZINC000480413792 561208772 /nfs/dbraw/zinc/20/87/72/561208772.db2.gz UDJVEBBRTINJBB-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC000176691041 546476832 /nfs/dbraw/zinc/47/68/32/546476832.db2.gz QWGRJHKVRAVMOF-UHFFFAOYSA-N -1 1 366.414 2.475 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)ccc1[O-] ZINC000480669583 561213938 /nfs/dbraw/zinc/21/39/38/561213938.db2.gz CIVMMBZZOAJALC-UHFFFAOYSA-N -1 1 372.406 2.337 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2O)c(C)c1OCC(=O)[O-] ZINC000481578511 561236511 /nfs/dbraw/zinc/23/65/11/561236511.db2.gz CXYZKNRDVVUBDY-UHFFFAOYSA-N -1 1 369.370 2.412 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(Cl)cnc2N)o1 ZINC000178952852 546880259 /nfs/dbraw/zinc/88/02/59/546880259.db2.gz CAEGBNYGMFGURG-NSHDSACASA-N -1 1 359.835 2.139 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)co1 ZINC000179827659 547017890 /nfs/dbraw/zinc/01/78/90/547017890.db2.gz MRFQJQRZRXFCNZ-UHFFFAOYSA-N -1 1 370.337 2.254 20 0 FEADMM CC(C)(NC(=O)CCCc1ccccc1Br)c1nn[n-]n1 ZINC000482366871 561253027 /nfs/dbraw/zinc/25/30/27/561253027.db2.gz CNKPGXRGNAWRCS-UHFFFAOYSA-N -1 1 352.236 2.336 20 0 FEADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180568503 547131494 /nfs/dbraw/zinc/13/14/94/547131494.db2.gz HYDBZCCOLVHMSJ-BDAKNGLRSA-N -1 1 351.346 2.059 20 0 FEADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180568521 547131591 /nfs/dbraw/zinc/13/15/91/547131591.db2.gz HYDBZCCOLVHMSJ-IUCAKERBSA-N -1 1 351.346 2.059 20 0 FEADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000181096826 547249487 /nfs/dbraw/zinc/24/94/87/547249487.db2.gz WIFRZTJQTCJUFE-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM C[C@H](CNC(=O)c1ccc([O-])cc1F)N1CCN(c2ccccc2)CC1 ZINC000181132444 547254840 /nfs/dbraw/zinc/25/48/40/547254840.db2.gz DHPYEFKXQKFNBW-OAHLLOKOSA-N -1 1 357.429 2.472 20 0 FEADMM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000181510208 547325875 /nfs/dbraw/zinc/32/58/75/547325875.db2.gz HSOVWHVRNHHFQW-UHFFFAOYSA-N -1 1 361.389 2.365 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)c1ccc2ccccc2c1 ZINC000181816386 547386334 /nfs/dbraw/zinc/38/63/34/547386334.db2.gz PVTIUZKJJYXAEE-QGZVFWFLSA-N -1 1 373.434 2.074 20 0 FEADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181917086 547404130 /nfs/dbraw/zinc/40/41/30/547404130.db2.gz RKIUFGIIFXPSAG-MLGOLLRUSA-N -1 1 352.394 2.276 20 0 FEADMM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1O ZINC000484227035 561293982 /nfs/dbraw/zinc/29/39/82/561293982.db2.gz AYMAEZUHCUNULX-UHFFFAOYSA-N -1 1 363.391 2.389 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F)c1nn[n-]n1 ZINC000183393875 547649870 /nfs/dbraw/zinc/64/98/70/547649870.db2.gz MIRHVRJNIKEIJZ-UWVGGRQHSA-N -1 1 357.336 2.248 20 0 FEADMM COc1ccc(-c2ncc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)s2)cc1 ZINC000183399964 547650847 /nfs/dbraw/zinc/65/08/47/547650847.db2.gz OGLMWDFXBGBONF-SNVBAGLBSA-N -1 1 358.427 2.208 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCC[C@H]2CCCCO2)c(=O)[n-]1 ZINC000183489458 547670651 /nfs/dbraw/zinc/67/06/51/547670651.db2.gz JVAMGMMEMKDNKP-CYBMUJFWSA-N -1 1 353.488 2.198 20 0 FEADMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cccc3cccnc31)OCO2 ZINC000484575380 561300538 /nfs/dbraw/zinc/30/05/38/561300538.db2.gz OKRNUXJORMZSAV-UHFFFAOYSA-N -1 1 372.358 2.463 20 0 FEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000484587016 561300691 /nfs/dbraw/zinc/30/06/91/561300691.db2.gz SWCYGKGKKKRQPA-UHFFFAOYSA-N -1 1 368.754 2.274 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(SC)c(F)c2)o1 ZINC000184606563 547853070 /nfs/dbraw/zinc/85/30/70/547853070.db2.gz GFZYJGNNGMGEMO-UHFFFAOYSA-N -1 1 362.379 2.440 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1C ZINC000485101956 561312524 /nfs/dbraw/zinc/31/25/24/561312524.db2.gz IPWWULHSANCFTK-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM N=c1nc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CC2)s[n-]1 ZINC000485111684 561312740 /nfs/dbraw/zinc/31/27/40/561312740.db2.gz CABVQUQFARIWJC-NEPJUHHUSA-N -1 1 363.874 2.226 20 0 FEADMM CCCc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)c(C(=O)[O-])c1 ZINC000485233253 561315379 /nfs/dbraw/zinc/31/53/79/561315379.db2.gz FXVWPLFYJPFWQY-UHFFFAOYSA-N -1 1 366.395 2.253 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)o1 ZINC000485645217 561324847 /nfs/dbraw/zinc/32/48/47/561324847.db2.gz SZBGBLNMQYAZCP-VIFPVBQESA-N -1 1 365.436 2.288 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000485655112 561324924 /nfs/dbraw/zinc/32/49/24/561324924.db2.gz NJMGLPAKAXEJQS-CHWSQXEVSA-N -1 1 360.391 2.147 20 0 FEADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc2c(cn1)nc[nH]c2=O ZINC000187028383 548244459 /nfs/dbraw/zinc/24/44/59/548244459.db2.gz AMKGCHSTCLEPAS-UHFFFAOYSA-N -1 1 356.392 2.150 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nc4ccc(F)cc4[nH]3)cc12 ZINC000486565612 561350931 /nfs/dbraw/zinc/35/09/31/561350931.db2.gz WUPGKHQWNGDORA-UHFFFAOYSA-N -1 1 360.374 2.093 20 0 FEADMM CC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)s1 ZINC000486769489 561356077 /nfs/dbraw/zinc/35/60/77/561356077.db2.gz KROCGVWVBFWTFT-VIFPVBQESA-N -1 1 353.831 2.499 20 0 FEADMM CCCc1nc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)no1 ZINC000195115703 548579423 /nfs/dbraw/zinc/57/94/23/548579423.db2.gz NEJUCVPVZZQWBH-UHFFFAOYSA-N -1 1 367.818 2.435 20 0 FEADMM CCCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)no1 ZINC000195115703 548579428 /nfs/dbraw/zinc/57/94/28/548579428.db2.gz NEJUCVPVZZQWBH-UHFFFAOYSA-N -1 1 367.818 2.435 20 0 FEADMM CCCCNC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195115767 548579795 /nfs/dbraw/zinc/57/97/95/548579795.db2.gz QNMKCKKXOUINMK-SNVBAGLBSA-N -1 1 370.862 2.204 20 0 FEADMM CCCCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195115767 548579799 /nfs/dbraw/zinc/57/97/99/548579799.db2.gz QNMKCKKXOUINMK-SNVBAGLBSA-N -1 1 370.862 2.204 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)n1 ZINC000195174875 548589772 /nfs/dbraw/zinc/58/97/72/548589772.db2.gz INRNBLGBHKTRIT-SNVBAGLBSA-N -1 1 371.463 2.193 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)n1 ZINC000195174875 548589775 /nfs/dbraw/zinc/58/97/75/548589775.db2.gz INRNBLGBHKTRIT-SNVBAGLBSA-N -1 1 371.463 2.193 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)n1 ZINC000195174875 548589778 /nfs/dbraw/zinc/58/97/78/548589778.db2.gz INRNBLGBHKTRIT-SNVBAGLBSA-N -1 1 371.463 2.193 20 0 FEADMM CC(C)(C)c1nnc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)[n-]1 ZINC000195177427 548591720 /nfs/dbraw/zinc/59/17/20/548591720.db2.gz WWITUPXSLLMAMS-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)n1 ZINC000195177427 548591723 /nfs/dbraw/zinc/59/17/23/548591723.db2.gz WWITUPXSLLMAMS-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)n[n-]1 ZINC000195177427 548591725 /nfs/dbraw/zinc/59/17/25/548591725.db2.gz WWITUPXSLLMAMS-UHFFFAOYSA-N -1 1 356.835 2.168 20 0 FEADMM Cc1csc([C@H]2CCCCN2C(=O)CNC(=O)c2ncccc2[O-])n1 ZINC000487261189 561366895 /nfs/dbraw/zinc/36/68/95/561366895.db2.gz QUBRSSTVAAKLGF-GFCCVEGCSA-N -1 1 360.439 2.036 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000487386513 561368810 /nfs/dbraw/zinc/36/88/10/561368810.db2.gz IBOUWKXBFYEGKI-DOMZBBRYSA-N -1 1 357.385 2.266 20 0 FEADMM O=C(NCCc1ccccn1)c1ccc(I)c([O-])c1 ZINC000230885766 548760854 /nfs/dbraw/zinc/76/08/54/548760854.db2.gz NUMZBFUQINVRIX-UHFFFAOYSA-N -1 1 368.174 2.364 20 0 FEADMM CCC(O)(CC)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230897190 548761817 /nfs/dbraw/zinc/76/18/17/548761817.db2.gz HVWUOMVSXXQIEQ-UHFFFAOYSA-N -1 1 363.195 2.278 20 0 FEADMM O=C([O-])CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)C1CCOCC1 ZINC000238111931 548878455 /nfs/dbraw/zinc/87/84/55/548878455.db2.gz OIAHQJKAVONGCZ-UHFFFAOYSA-N -1 1 363.801 2.436 20 0 FEADMM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000488227501 561386512 /nfs/dbraw/zinc/38/65/12/561386512.db2.gz WYXSVLDEPVHCMU-UHFFFAOYSA-N -1 1 372.443 2.233 20 0 FEADMM Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489749217 561418312 /nfs/dbraw/zinc/41/83/12/561418312.db2.gz WGCUFCAQBYQXAB-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(N)=O ZINC000490103023 561426785 /nfs/dbraw/zinc/42/67/85/561426785.db2.gz ZVIZPMHSQBPZGY-ZUZCIYMTSA-N -1 1 370.833 2.415 20 0 FEADMM C[C@@H](NC(=O)CN1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000261673889 549741718 /nfs/dbraw/zinc/74/17/18/549741718.db2.gz LSFSDMAPHOSZGN-LLVKDONJSA-N -1 1 369.259 2.423 20 0 FEADMM CCOc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000262679730 549838203 /nfs/dbraw/zinc/83/82/03/549838203.db2.gz SFWRAFAOQLCXTP-UKRRQHHQSA-N -1 1 364.442 2.068 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)N(C)CCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000263190372 549884538 /nfs/dbraw/zinc/88/45/38/549884538.db2.gz VPCGHSFTDFLTFG-LRDDRELGSA-N -1 1 356.850 2.266 20 0 FEADMM Cc1c(NC(=O)CNC(=O)c2ncccc2[O-])cccc1C(F)(F)F ZINC000490564298 561435197 /nfs/dbraw/zinc/43/51/97/561435197.db2.gz HUSKQDYPFAMWQH-UHFFFAOYSA-N -1 1 353.300 2.483 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000263341753 549895863 /nfs/dbraw/zinc/89/58/63/549895863.db2.gz NOZMJTVEYOEJKT-OCCSQVGLSA-N -1 1 374.416 2.301 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cnc(C(=O)[O-])cn3)[nH]c2c1 ZINC000263471397 549903355 /nfs/dbraw/zinc/90/33/55/549903355.db2.gz YAXAICNJCCUTQX-HNNXBMFYSA-N -1 1 351.366 2.337 20 0 FEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1c(F)cccc1Cl ZINC000490868500 561439488 /nfs/dbraw/zinc/43/94/88/561439488.db2.gz CRORKLWOPHBNTH-VIFPVBQESA-N -1 1 351.765 2.187 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1OC ZINC000268449740 550067954 /nfs/dbraw/zinc/06/79/54/550067954.db2.gz AGBVOSZXSLKTSG-UHFFFAOYSA-N -1 1 367.427 2.122 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CCO)C(C)C ZINC000268863528 550124585 /nfs/dbraw/zinc/12/45/85/550124585.db2.gz FDRZBNJVPPQONH-MRXNPFEDSA-N -1 1 358.442 2.008 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000270000207 550242059 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1 358.364 2.384 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c(C)cc1F ZINC000291847339 552667783 /nfs/dbraw/zinc/66/77/83/552667783.db2.gz IFQBMYXRTVTXJW-UHFFFAOYSA-N -1 1 367.402 2.183 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)sc1C(=O)[O-] ZINC000291967842 552679842 /nfs/dbraw/zinc/67/98/42/552679842.db2.gz SNRSNZSWMMFYKC-NSHDSACASA-N -1 1 372.512 2.250 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(C(C)C)s2)c1 ZINC000292203352 552704262 /nfs/dbraw/zinc/70/42/62/552704262.db2.gz KZGXGXMAEWGJKM-UHFFFAOYSA-N -1 1 355.441 2.133 20 0 FEADMM Cc1cncc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000292275677 552711446 /nfs/dbraw/zinc/71/14/46/552711446.db2.gz HEVAEWGISJSRFD-UHFFFAOYSA-N -1 1 357.376 2.240 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cccs2)c1 ZINC000292451558 552727954 /nfs/dbraw/zinc/72/79/54/552727954.db2.gz KXABYIWNBPDJKN-UHFFFAOYSA-N -1 1 354.453 2.278 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(C(F)(F)F)n1 ZINC000293555172 552835154 /nfs/dbraw/zinc/83/51/54/552835154.db2.gz RKMBBLBKIVUMIM-IACUBPJLSA-N -1 1 371.384 2.446 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C(=O)c3ccc([O-])cc3)CC[C@H]21 ZINC000293645596 552843519 /nfs/dbraw/zinc/84/35/19/552843519.db2.gz HSUQOXYUOQMSQK-GDBMZVCRSA-N -1 1 374.437 2.433 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000293837970 552861349 /nfs/dbraw/zinc/86/13/49/552861349.db2.gz WHQKJZXUTNELBZ-MRVPVSSYSA-N -1 1 365.377 2.394 20 0 FEADMM CCOC(=O)[C@@H](F)C1CN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000293851626 552862179 /nfs/dbraw/zinc/86/21/79/552862179.db2.gz FYMRMQQYALCQHR-ZDUSSCGKSA-N -1 1 359.781 2.418 20 0 FEADMM O=c1cc(C2CC2)nc(SCCNS(=O)(=O)c2ccccc2)[n-]1 ZINC000530346518 562407851 /nfs/dbraw/zinc/40/78/51/562407851.db2.gz SDOPOOVAOVDSLM-UHFFFAOYSA-N -1 1 351.453 2.130 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](O)C23CCCC3)c(=O)[n-]1 ZINC000294275402 552893282 /nfs/dbraw/zinc/89/32/82/552893282.db2.gz SUGBSEJDDGVGQY-CYBMUJFWSA-N -1 1 351.472 2.051 20 0 FEADMM CCOc1cc(C(=O)[N-]c2nc(C)c(C3N=NC(=S)N3C)s2)on1 ZINC000294421902 552904680 /nfs/dbraw/zinc/90/46/80/552904680.db2.gz KKFMLKPVTJAABR-UHFFFAOYSA-N -1 1 366.428 2.175 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295530513 553021687 /nfs/dbraw/zinc/02/16/87/553021687.db2.gz NHLGNWFIVBOKPD-LBPRGKRZSA-N -1 1 362.455 2.354 20 0 FEADMM CC[C@H](c1nnc(SCc2nn[n-]n2)n1-c1ccc(OC)cc1)N(C)C ZINC000298212058 553398757 /nfs/dbraw/zinc/39/87/57/553398757.db2.gz GRGUGXRXFLPLIX-CYBMUJFWSA-N -1 1 374.474 2.094 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C)cc1OCC(F)(F)F ZINC000299164034 553524131 /nfs/dbraw/zinc/52/41/31/553524131.db2.gz SMEUQUSQYMMUQD-UHFFFAOYSA-N -1 1 355.334 2.241 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCOCC1CC1 ZINC000299364214 553553511 /nfs/dbraw/zinc/55/35/11/553553511.db2.gz QYQCLWLRLGZARC-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM O=C(N[C@H]1CC[C@H](O)CC1)c1cc(I)ccc1[O-] ZINC000300420537 553617152 /nfs/dbraw/zinc/61/71/52/553617152.db2.gz CITYWHBNBHHUQN-MGCOHNPYSA-N -1 1 361.179 2.030 20 0 FEADMM COc1ccccc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000504665620 561660981 /nfs/dbraw/zinc/66/09/81/561660981.db2.gz IYISRJWACXSCHO-UHFFFAOYSA-N -1 1 351.380 2.350 20 0 FEADMM C[C@H](O)CCN(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301558750 553660896 /nfs/dbraw/zinc/66/08/96/553660896.db2.gz IIJJXPTWOPNZRT-NSHDSACASA-N -1 1 371.409 2.368 20 0 FEADMM CCN(C(=O)c1ccc(I)c([O-])c1)[C@H]1CCOC1 ZINC000310946205 553754183 /nfs/dbraw/zinc/75/41/83/553754183.db2.gz XUIXGTCQVJKAFF-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C(=O)[O-] ZINC000313981372 553758359 /nfs/dbraw/zinc/75/83/59/553758359.db2.gz PTGHDTXQVJCPHA-ZWNOBZJWSA-N -1 1 355.232 2.430 20 0 FEADMM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000322338140 553768351 /nfs/dbraw/zinc/76/83/51/553768351.db2.gz FTJHYDYVCIINOD-FZMZJTMJSA-N -1 1 351.346 2.416 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000326695995 553782620 /nfs/dbraw/zinc/78/26/20/553782620.db2.gz SOMBMQNPCOQZDZ-UHFFFAOYSA-N -1 1 357.395 2.260 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000327480771 553788886 /nfs/dbraw/zinc/78/88/86/553788886.db2.gz JRDLSSZWNTVBLP-INIZCTEOSA-N -1 1 371.499 2.284 20 0 FEADMM C[C@@H]1C[C@@]1(NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000505760912 561679738 /nfs/dbraw/zinc/67/97/38/561679738.db2.gz ZXIFAHBHRSLZAL-ZMZPIMSZSA-N -1 1 359.813 2.222 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329403518 553939924 /nfs/dbraw/zinc/93/99/24/553939924.db2.gz ZSZGNNOVVIEERK-MRXNPFEDSA-N -1 1 358.442 2.012 20 0 FEADMM CS[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2O)C[C@H]1[NH+]1CCCC1 ZINC000329601408 553975084 /nfs/dbraw/zinc/97/50/84/553975084.db2.gz KORUYPZSPOZVFE-CVEARBPZSA-N -1 1 372.494 2.296 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2csc(-c3cccs3)n2)n1 ZINC000506892109 561711191 /nfs/dbraw/zinc/71/11/91/561711191.db2.gz DSQLERTUNGDKTR-UHFFFAOYSA-N -1 1 369.449 2.355 20 0 FEADMM O=C([O-])c1cc(NS(=O)(=O)c2cncc(Cl)c2)cc2c1OCCO2 ZINC000507021540 561714260 /nfs/dbraw/zinc/71/42/60/561714260.db2.gz NUEVQTHOYLXTOM-UHFFFAOYSA-N -1 1 370.770 2.005 20 0 FEADMM COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000507906510 561745360 /nfs/dbraw/zinc/74/53/60/561745360.db2.gz RFMVHPSIBPOJAC-ZDUSSCGKSA-N -1 1 359.382 2.153 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cnn(CC(C)C)c1)c1ccccc1 ZINC000507906181 561745370 /nfs/dbraw/zinc/74/53/70/561745370.db2.gz QCJXYAOTWWEMQI-INIZCTEOSA-N -1 1 365.455 2.238 20 0 FEADMM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1ccccc1OC(F)F ZINC000508096818 561751520 /nfs/dbraw/zinc/75/15/20/561751520.db2.gz ONIAPBNZBXKWFH-LLVKDONJSA-N -1 1 361.288 2.288 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N1CCCC[C@H]1C ZINC000330634926 554148830 /nfs/dbraw/zinc/14/88/30/554148830.db2.gz UFWVSNFFIAPSQR-ZJUUUORDSA-N -1 1 364.389 2.172 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2CC(N)=O)c(=O)[n-]1 ZINC000330718327 554162581 /nfs/dbraw/zinc/16/25/81/554162581.db2.gz AJELUAUCJWZBFF-NSHDSACASA-N -1 1 352.460 2.452 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(C)(C)C)C2)o1 ZINC000330952930 554193639 /nfs/dbraw/zinc/19/36/39/554193639.db2.gz IUBPCHQKAOGHKK-CYBMUJFWSA-N -1 1 372.487 2.244 20 0 FEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CN1C1CC1 ZINC000331481543 554272439 /nfs/dbraw/zinc/27/24/39/554272439.db2.gz JMZRNPDKLCJOBN-KOLCDFICSA-N -1 1 364.389 2.315 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(NC(=O)c2cnoc2C)ccc1F ZINC000509073597 561783747 /nfs/dbraw/zinc/78/37/47/561783747.db2.gz CLZMNCPTSGQZPM-VIFPVBQESA-N -1 1 371.390 2.151 20 0 FEADMM CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509169183 561788115 /nfs/dbraw/zinc/78/81/15/561788115.db2.gz IFDRVQPASHLHSK-NSHDSACASA-N -1 1 366.892 2.045 20 0 FEADMM CO[C@]1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806943 554323209 /nfs/dbraw/zinc/32/32/09/554323209.db2.gz TWZHMZIEYZQXHR-YVEFUNNKSA-N -1 1 372.487 2.290 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509295682 561794043 /nfs/dbraw/zinc/79/40/43/561794043.db2.gz HODBVKHMLXYBPI-UHFFFAOYSA-N -1 1 361.446 2.193 20 0 FEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000509388655 561797527 /nfs/dbraw/zinc/79/75/27/561797527.db2.gz ZDHJDOWBLGOBKG-QMMMGPOBSA-N -1 1 365.242 2.351 20 0 FEADMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332145855 554389956 /nfs/dbraw/zinc/38/99/56/554389956.db2.gz LYJFINKIJSYYBE-ZJUUUORDSA-N -1 1 353.325 2.227 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)cc(Cl)c1[O-] ZINC000332388834 554437220 /nfs/dbraw/zinc/43/72/20/554437220.db2.gz JIFLNLFLVZPKMC-GFCCVEGCSA-N -1 1 364.833 2.187 20 0 FEADMM Cc1cnc(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000332536347 554466476 /nfs/dbraw/zinc/46/64/76/554466476.db2.gz IPTLJVQCMUVWEJ-UHFFFAOYSA-N -1 1 353.422 2.472 20 0 FEADMM Cc1cccc(OC(F)F)c1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000510606151 561840399 /nfs/dbraw/zinc/84/03/99/561840399.db2.gz ADDIDQBSPXHCSO-UHFFFAOYSA-N -1 1 351.309 2.066 20 0 FEADMM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Cl)ccc1[O-] ZINC000333016673 554559106 /nfs/dbraw/zinc/55/91/06/554559106.db2.gz CGGURMIFCOCHSW-ZDUSSCGKSA-N -1 1 351.834 2.456 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c(=O)[n-]1 ZINC000333081529 554569167 /nfs/dbraw/zinc/56/91/67/554569167.db2.gz MFQLGXMCOSZJPX-CHWSQXEVSA-N -1 1 351.472 2.030 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)N2CCc3ccccc3C2)sc1C ZINC000333245606 554593866 /nfs/dbraw/zinc/59/38/66/554593866.db2.gz JEFGGENSCROCSH-LBPRGKRZSA-N -1 1 365.524 2.485 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)c1Br ZINC000611774823 554679043 /nfs/dbraw/zinc/67/90/43/554679043.db2.gz UPWMSCLHVAWGMN-NGZCFLSTSA-N -1 1 369.263 2.368 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000511031974 561854396 /nfs/dbraw/zinc/85/43/96/561854396.db2.gz PZSRPXQSYLCKLO-HOTGVXAUSA-N -1 1 353.422 2.360 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2nccs2)no1 ZINC000349634368 554734711 /nfs/dbraw/zinc/73/47/11/554734711.db2.gz WUALJURBKGMVHJ-UHFFFAOYSA-N -1 1 352.379 2.238 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(C2CCOCC2)no1 ZINC000349847196 554745787 /nfs/dbraw/zinc/74/57/87/554745787.db2.gz DJIWWPFDDQQYLF-UHFFFAOYSA-N -1 1 353.382 2.008 20 0 FEADMM Cc1c([C@@H]2[C@H](c3nc(-c4ccc([O-])cc4F)no3)CC(=O)N2C)cnn1C ZINC000350612841 554802599 /nfs/dbraw/zinc/80/25/99/554802599.db2.gz QHTYBJKUPFPHSC-WBMJQRKESA-N -1 1 371.372 2.310 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000362117424 554950691 /nfs/dbraw/zinc/95/06/91/554950691.db2.gz HMKQNLYRORFQFM-HNNXBMFYSA-N -1 1 353.422 2.342 20 0 FEADMM CCCCCN(CCO)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000362118987 554951240 /nfs/dbraw/zinc/95/12/40/554951240.db2.gz QWVBTVCEWAMMDW-UHFFFAOYSA-N -1 1 372.469 2.496 20 0 FEADMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362132229 554951723 /nfs/dbraw/zinc/95/17/23/554951723.db2.gz SRENQFIEJJIPMY-WDEREUQCSA-N -1 1 369.347 2.392 20 0 FEADMM Cn1ccnc1-c1nnc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)s1 ZINC000362738474 554985671 /nfs/dbraw/zinc/98/56/71/554985671.db2.gz UVWHPFNBOGVJGT-VIFPVBQESA-N -1 1 362.440 2.499 20 0 FEADMM CCc1nc(CN2CCC[C@H](N(C)C(=O)c3cc(F)ccc3[O-])C2)no1 ZINC000362845781 554992594 /nfs/dbraw/zinc/99/25/94/554992594.db2.gz BWGKKPHUOCRXCP-ZDUSSCGKSA-N -1 1 362.405 2.213 20 0 FEADMM CCS(=O)(=O)c1ccccc1N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC000363196382 555050956 /nfs/dbraw/zinc/05/09/56/555050956.db2.gz PMTQDAZFRAXPRF-UHFFFAOYSA-N -1 1 364.389 2.128 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCCN1C(=O)C1CCCC1 ZINC000363245222 555062024 /nfs/dbraw/zinc/06/20/24/555062024.db2.gz USVBZLPDLYXUQN-SNVBAGLBSA-N -1 1 359.352 2.333 20 0 FEADMM CSc1cc2c(cc1NC(=O)c1cnc3n(C)[n-]cc-3c1=O)OCCO2 ZINC000512020442 561889285 /nfs/dbraw/zinc/88/92/85/561889285.db2.gz RMTQXCUBYWFLIN-UHFFFAOYSA-N -1 1 372.406 2.419 20 0 FEADMM Cc1cc([C@H]2CCCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C2)n[nH]1 ZINC000363817453 555192667 /nfs/dbraw/zinc/19/26/67/555192667.db2.gz IEZOMKIXCMEHAD-AAEUAGOBSA-N -1 1 360.380 2.127 20 0 FEADMM C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000512197254 561895571 /nfs/dbraw/zinc/89/55/71/561895571.db2.gz OWURARWQBPAWJC-PSVSLLHZSA-N -1 1 352.394 2.357 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(-c4c[nH]nc4C)s3)[nH]n2)o1 ZINC000364006397 555232293 /nfs/dbraw/zinc/23/22/93/555232293.db2.gz WQHOVSQBLFAOHV-UHFFFAOYSA-N -1 1 355.383 2.780 20 0 FEADMM CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000364113995 555252356 /nfs/dbraw/zinc/25/23/56/555252356.db2.gz YWAJYNXUFOQOEX-ZWKOTPCHSA-N -1 1 356.422 2.474 20 0 FEADMM CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000364113992 555252451 /nfs/dbraw/zinc/25/24/51/555252451.db2.gz YWAJYNXUFOQOEX-MSOLQXFVSA-N -1 1 356.422 2.474 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1Br ZINC000616004252 555262686 /nfs/dbraw/zinc/26/26/86/555262686.db2.gz XEPTYYXWRKIVDF-SECBINFHSA-N -1 1 365.235 2.151 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2ccnc(N3CCCC3)n2)c1Br ZINC000616005865 555262792 /nfs/dbraw/zinc/26/27/92/555262792.db2.gz DQZWZOOZFFYVIP-UHFFFAOYSA-N -1 1 351.208 2.123 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3nnn(C(C)(C)C)n3)[nH][n-]2)c1 ZINC000616251138 555284253 /nfs/dbraw/zinc/28/42/53/555284253.db2.gz LKRLISKWJKQIKZ-UHFFFAOYSA-N -1 1 357.393 2.447 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000364308285 555288566 /nfs/dbraw/zinc/28/85/66/555288566.db2.gz UQKZATITCXETNV-JKSUJKDBSA-N -1 1 372.469 2.259 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N=c1cc([C@@H]2C[C@H]2C)[nH][nH]1 ZINC000616442553 555306264 /nfs/dbraw/zinc/30/62/64/555306264.db2.gz BBPMJQCQEKPXGU-ZWNOBZJWSA-N -1 1 364.409 2.168 20 0 FEADMM Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3ccc([O-])cc3F)CC2)no1 ZINC000364693659 555376110 /nfs/dbraw/zinc/37/61/10/555376110.db2.gz DPXJRCKRAWANKJ-ZDUSSCGKSA-N -1 1 362.405 2.349 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CCN(c4ccn(C)n4)C3)nc2)[n-]c(=O)c1C ZINC000364901888 555431332 /nfs/dbraw/zinc/43/13/32/555431332.db2.gz PCKRELOZOABMPB-OAHLLOKOSA-N -1 1 365.441 2.285 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc(Cl)c4ncccc34)CC2)s[n-]1 ZINC000512823066 561916996 /nfs/dbraw/zinc/91/69/96/561916996.db2.gz UMQZWSXIONVUAN-UHFFFAOYSA-N -1 1 374.857 2.284 20 0 FEADMM CN1C(=O)CC[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@H]1c1cccc(Cl)c1 ZINC000365090060 555483149 /nfs/dbraw/zinc/48/31/49/555483149.db2.gz RNBLQNKVJZNNFW-YLQAJVPDSA-N -1 1 366.845 2.334 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000365223047 555515234 /nfs/dbraw/zinc/51/52/34/555515234.db2.gz SYXGKFDEVNIZAU-GXTWGEPZSA-N -1 1 363.462 2.449 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccnc3c2nnn3C)c1 ZINC000513656106 561945966 /nfs/dbraw/zinc/94/59/66/561945966.db2.gz XWACELCUIBCBIJ-UHFFFAOYSA-N -1 1 362.187 2.392 20 0 FEADMM CC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)C1 ZINC000513711791 561947383 /nfs/dbraw/zinc/94/73/83/561947383.db2.gz OHKIEEVJXHTCOO-UHFFFAOYSA-N -1 1 374.418 2.308 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)c1 ZINC000513791301 561949870 /nfs/dbraw/zinc/94/98/70/561949870.db2.gz MNGPRDDUIHIYEM-ZDUSSCGKSA-N -1 1 351.380 2.095 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)c1 ZINC000513850221 561952490 /nfs/dbraw/zinc/95/24/90/561952490.db2.gz PKDQUCYVDWQAPP-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2cnc(-c3cnn(C)c3)nc2)[n-]c1=O ZINC000366435879 555843218 /nfs/dbraw/zinc/84/32/18/555843218.db2.gz XGRGVWHOMFYFCX-VZUCSPMQSA-N -1 1 366.381 2.110 20 0 FEADMM Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366654290 555900388 /nfs/dbraw/zinc/90/03/88/555900388.db2.gz LWWGHKMFCKLIHF-LLVKDONJSA-N -1 1 358.427 2.173 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3csc(Br)c3)ccnc1-2 ZINC000806480983 674378521 /nfs/dbraw/zinc/37/85/21/674378521.db2.gz DYICINNKPSFQLC-UHFFFAOYSA-N -1 1 366.244 2.488 20 0 FEADMM Cc1nnc2n1C[C@@H](N=c1nc(C(Cl)(Cl)Cl)[n-]s1)CC2 ZINC000367331384 556020539 /nfs/dbraw/zinc/02/05/39/556020539.db2.gz FMBIPAMQXLWKMO-LURJTMIESA-N -1 1 353.666 2.114 20 0 FEADMM CN(C)c1cc2c(nn1)CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C2 ZINC000367584871 556090040 /nfs/dbraw/zinc/09/00/40/556090040.db2.gz BETQODJTDULDAV-UHFFFAOYSA-N -1 1 366.343 2.466 20 0 FEADMM C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H](c2[nH]ncc2NS(C)(=O)=O)C1 ZINC000367668141 556109110 /nfs/dbraw/zinc/10/91/10/556109110.db2.gz AIBTUINMZWUDBN-HZSPNIEDSA-N -1 1 366.487 2.090 20 0 FEADMM CO[C@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)[C@@H](C(=O)[O-])C1 ZINC000514951203 561988606 /nfs/dbraw/zinc/98/86/06/561988606.db2.gz KTEGLPHDWKEMPI-GXFFZTMASA-N -1 1 368.231 2.389 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000367701976 556118499 /nfs/dbraw/zinc/11/84/99/556118499.db2.gz HCFNAGXUDOZLJY-UHFFFAOYSA-N -1 1 356.835 2.182 20 0 FEADMM COCC[C@H](Cc1ccco1)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000515015613 561992184 /nfs/dbraw/zinc/99/21/84/561992184.db2.gz YXKGETPHRZPVSB-LLVKDONJSA-N -1 1 351.428 2.183 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCc2cccc(OC(F)F)c21 ZINC000368131877 556226522 /nfs/dbraw/zinc/22/65/22/556226522.db2.gz OMOIRFQQVNCBEY-UHFFFAOYSA-N -1 1 359.354 2.308 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c1 ZINC000515116627 561996902 /nfs/dbraw/zinc/99/69/02/561996902.db2.gz PDFXHCPYSBUBRS-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM O=C(Nc1ccccc1CN1CCNC1=O)c1csc(=NC2CC2)[n-]1 ZINC000622486312 556261906 /nfs/dbraw/zinc/26/19/06/556261906.db2.gz IOGAFJOHBSQSJF-UHFFFAOYSA-N -1 1 357.439 2.495 20 0 FEADMM CCO[C@H]1C[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000515364118 562007155 /nfs/dbraw/zinc/00/71/55/562007155.db2.gz WJNYKAUAWPYBDW-SJORKVTESA-N -1 1 360.435 2.395 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)[C@@H](C)C(=O)NCCC(C)C)n2)cc1 ZINC000515506689 562013349 /nfs/dbraw/zinc/01/33/49/562013349.db2.gz ABTNDLKGTPJENL-ZDUSSCGKSA-N -1 1 364.471 2.105 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)NCCC(C)C)n[n-]2)cc1 ZINC000515506689 562013350 /nfs/dbraw/zinc/01/33/50/562013350.db2.gz ABTNDLKGTPJENL-ZDUSSCGKSA-N -1 1 364.471 2.105 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1F ZINC000532141477 562468452 /nfs/dbraw/zinc/46/84/52/562468452.db2.gz UBAIMDVOSPFKGV-UHFFFAOYSA-N -1 1 373.383 2.481 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)o1 ZINC000369096218 556503651 /nfs/dbraw/zinc/50/36/51/556503651.db2.gz PPHOVXWFXNPUOD-LBPRGKRZSA-N -1 1 351.380 2.258 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NC[C@@H]3SCCc4ccccc43)ccnc1-2 ZINC000806491258 674378773 /nfs/dbraw/zinc/37/87/73/674378773.db2.gz GLOZXQJFVLNHAY-INIZCTEOSA-N -1 1 353.451 2.494 20 0 FEADMM CN1CC[C@@H](CNC(=O)CSCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000516290276 562038916 /nfs/dbraw/zinc/03/89/16/562038916.db2.gz MKTYIVPUAOCRGW-MEDUHNTESA-N -1 1 374.865 2.406 20 0 FEADMM COc1cc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)ccc1OC(F)F ZINC000516391701 562041593 /nfs/dbraw/zinc/04/15/93/562041593.db2.gz SLOQHIBOXRGGAV-UHFFFAOYSA-N -1 1 359.354 2.266 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCC[C@](C)(O)CC2)c([O-])c1 ZINC000370033669 556763002 /nfs/dbraw/zinc/76/30/02/556763002.db2.gz RRNPXWJHMNTGNW-IBGZPJMESA-N -1 1 373.409 2.318 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc2ccccc2c1 ZINC000516604266 562050000 /nfs/dbraw/zinc/05/00/00/562050000.db2.gz RAIBQZRJSSQGGT-INIZCTEOSA-N -1 1 365.451 2.398 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](c2nnc[nH]2)C1 ZINC000370126722 556787746 /nfs/dbraw/zinc/78/77/46/556787746.db2.gz RIRUVAWDYYJGQQ-VIFPVBQESA-N -1 1 351.204 2.293 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)C3)cc1 ZINC000370272887 556827031 /nfs/dbraw/zinc/82/70/31/556827031.db2.gz NMFRHMBPGDQCPA-UHFFFAOYSA-N -1 1 374.418 2.136 20 0 FEADMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc2C1 ZINC000370273235 556827039 /nfs/dbraw/zinc/82/70/39/556827039.db2.gz SELDBSLQWGNPCW-UHFFFAOYSA-N -1 1 372.402 2.020 20 0 FEADMM COc1ncncc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000370486979 556887710 /nfs/dbraw/zinc/88/77/10/556887710.db2.gz CKWDDFDKMUPISF-UHFFFAOYSA-N -1 1 356.382 2.318 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCc1ccccc1O ZINC000370719545 556948738 /nfs/dbraw/zinc/94/87/38/556948738.db2.gz CFZNUIOMDPZOSM-UHFFFAOYSA-N -1 1 364.405 2.160 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1c2cccc(F)c2O[C@@H]1C ZINC000370732823 556952324 /nfs/dbraw/zinc/95/23/24/556952324.db2.gz RKHGZQXPEMLBPT-ZMZPIMSZSA-N -1 1 370.384 2.372 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370854989 556991692 /nfs/dbraw/zinc/99/16/92/556991692.db2.gz HJSHLEJHCFIDII-NQBHXWOUSA-N -1 1 368.224 2.210 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000517153695 562077693 /nfs/dbraw/zinc/07/76/93/562077693.db2.gz KJJOPRSAKANLRO-UHFFFAOYSA-N -1 1 374.418 2.183 20 0 FEADMM Cc1c(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1C ZINC000371165500 557094922 /nfs/dbraw/zinc/09/49/22/557094922.db2.gz MNPHVEFBNWVUMY-UHFFFAOYSA-N -1 1 355.438 2.488 20 0 FEADMM O=C(N=c1[n-]nc(-c2cc3ccccc3o2)s1)NCCN1CC[C@H](O)C1 ZINC000626531124 557104995 /nfs/dbraw/zinc/10/49/95/557104995.db2.gz QROXFDOOHHFLFT-LBPRGKRZSA-N -1 1 373.438 2.139 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cccc3c2OCCO3)n[nH]c1-c1ccncc1 ZINC000371314048 557142590 /nfs/dbraw/zinc/14/25/90/557142590.db2.gz PRNOACSKKUYWOV-UHFFFAOYSA-N -1 1 372.406 2.352 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n[nH]c1-c1ccncc1 ZINC000371316898 557143529 /nfs/dbraw/zinc/14/35/29/557143529.db2.gz KPKZKZAUAWOJDX-UHFFFAOYSA-N -1 1 370.394 2.163 20 0 FEADMM Cc1cc(C([O-])=C[S@](=O)c2ccc(C(=O)N3CCCC3)cn2)c(C)n1C ZINC000518130667 562104981 /nfs/dbraw/zinc/10/49/81/562104981.db2.gz SQWZPADQDHWVIE-SANMLTNESA-N -1 1 373.478 2.263 20 0 FEADMM COCCn1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)CCC2 ZINC000371646634 557250133 /nfs/dbraw/zinc/25/01/33/557250133.db2.gz PFVMBXNIEYQVRL-AWEZNQCLSA-N -1 1 371.409 2.164 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)cc1[N-]S(C)(=O)=O ZINC000518037868 562103159 /nfs/dbraw/zinc/10/31/59/562103159.db2.gz VZXDRXSVEQUVFA-LBPRGKRZSA-N -1 1 366.443 2.080 20 0 FEADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccsc3)ccc2O1 ZINC000372143498 557391686 /nfs/dbraw/zinc/39/16/86/557391686.db2.gz KRCVKMOZRYZLDF-CQSZACIVSA-N -1 1 353.421 2.416 20 0 FEADMM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000519060103 562124187 /nfs/dbraw/zinc/12/41/87/562124187.db2.gz CWRQARBBDYFUNY-UHFFFAOYSA-N -1 1 373.390 2.385 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC(=O)NC)CC2 ZINC000372492858 557484897 /nfs/dbraw/zinc/48/48/97/557484897.db2.gz SVOOJSFTOLGSKV-UHFFFAOYSA-N -1 1 373.478 2.158 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCc2ccc(OC)cc2)o1 ZINC000519377213 562130351 /nfs/dbraw/zinc/13/03/51/562130351.db2.gz FRJHCPVHIKSSRX-GFCCVEGCSA-N -1 1 367.423 2.374 20 0 FEADMM Cc1ncsc1CN(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000519487757 562132552 /nfs/dbraw/zinc/13/25/52/562132552.db2.gz CJVPSCRVCVKGNV-UHFFFAOYSA-N -1 1 369.450 2.106 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000372854218 557575703 /nfs/dbraw/zinc/57/57/03/557575703.db2.gz BVWDJSYVMIGFQL-UHFFFAOYSA-N -1 1 358.379 2.279 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000372992094 557604934 /nfs/dbraw/zinc/60/49/34/557604934.db2.gz WRWSCALPDFZUBR-BBRMVZONSA-N -1 1 365.407 2.122 20 0 FEADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000520037982 562148745 /nfs/dbraw/zinc/14/87/45/562148745.db2.gz TUHSLOTVGYZCLM-UHFFFAOYSA-N -1 1 374.422 2.123 20 0 FEADMM O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000520399494 562155538 /nfs/dbraw/zinc/15/55/38/562155538.db2.gz JUXFVKIELYLCFY-GFCCVEGCSA-N -1 1 371.372 2.049 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)n1 ZINC000373684439 557738524 /nfs/dbraw/zinc/73/85/24/557738524.db2.gz JWTRAKVAYQVGFG-LLVKDONJSA-N -1 1 356.373 2.123 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-][C@@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000373867694 557776714 /nfs/dbraw/zinc/77/67/14/557776714.db2.gz GCZODXOGXDDPEU-TZMCWYRMSA-N -1 1 353.444 2.388 20 0 FEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CCO4)cc21 ZINC000373903621 557783642 /nfs/dbraw/zinc/78/36/42/557783642.db2.gz DVCKQMZPCMSDLP-UHFFFAOYSA-N -1 1 359.359 2.123 20 0 FEADMM COc1n[n-]c(=NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)s1 ZINC000374652391 557912080 /nfs/dbraw/zinc/91/20/80/557912080.db2.gz GQTIVUWBXMINGC-NSHDSACASA-N -1 1 371.426 2.701 20 0 FEADMM COc1n[n-]c(=NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)s1 ZINC000374652391 557912081 /nfs/dbraw/zinc/91/20/81/557912081.db2.gz GQTIVUWBXMINGC-NSHDSACASA-N -1 1 371.426 2.701 20 0 FEADMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OC ZINC000521230917 562172525 /nfs/dbraw/zinc/17/25/25/562172525.db2.gz WVMLVBDPQBHVPI-WPRPVWTQSA-N -1 1 353.362 2.360 20 0 FEADMM Cn1cnc(-c2cccc(NC(=O)c3ccc4n[n-]c(=S)n4c3)c2)n1 ZINC000375092603 557976792 /nfs/dbraw/zinc/97/67/92/557976792.db2.gz BHGSOYBEMCMTJB-UHFFFAOYSA-N -1 1 351.395 2.066 20 0 FEADMM Cc1ccc(NC(=O)c2ncn(C)n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000521519173 562178030 /nfs/dbraw/zinc/17/80/30/562178030.db2.gz IELQDTRUAFFMOO-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@@H]3CCN(C)c4ccccc43)ccnc1-2 ZINC000376701124 558210611 /nfs/dbraw/zinc/21/06/11/558210611.db2.gz PXQONKCQZYBZPB-SXNXEAAASA-N -1 1 350.426 2.087 20 0 FEADMM CSC[C@H]1CCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000376792840 558221873 /nfs/dbraw/zinc/22/18/73/558221873.db2.gz ZDAGNHHBCLNRRO-CQSZACIVSA-N -1 1 358.467 2.037 20 0 FEADMM CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000521907067 562186208 /nfs/dbraw/zinc/18/62/08/562186208.db2.gz JXDVKBQNKFPWFF-ZETCQYMHSA-N -1 1 366.365 2.163 20 0 FEADMM CC(C)c1ccc(CCNC(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000377581701 558370705 /nfs/dbraw/zinc/37/07/05/558370705.db2.gz HCNNJAFUYFZBBU-UHFFFAOYSA-N -1 1 371.485 2.172 20 0 FEADMM O=c1[n-]c([C@@H]2CCCN(CCCc3nc(-c4ccccc4)no3)C2)n[nH]1 ZINC000377598086 558374170 /nfs/dbraw/zinc/37/41/70/558374170.db2.gz NDSVYZMBZHMWRE-CQSZACIVSA-N -1 1 354.414 2.373 20 0 FEADMM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@@H]3CCc4nc[nH]c4C3)s2)cc1 ZINC000377755089 558412501 /nfs/dbraw/zinc/41/25/01/558412501.db2.gz BNWPSJVRDIDTMN-CYBMUJFWSA-N -1 1 368.466 2.839 20 0 FEADMM O=C1C[C@H](C[N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc2N1 ZINC000377982581 558457285 /nfs/dbraw/zinc/45/72/85/558457285.db2.gz DPFYUOXUBCXLFG-SNVBAGLBSA-N -1 1 352.362 2.369 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000522928843 562206210 /nfs/dbraw/zinc/20/62/10/562206210.db2.gz YXGYSWPNLJFPNT-UHFFFAOYSA-N -1 1 357.805 2.443 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccncc3)c2C)c1 ZINC000378285940 558520384 /nfs/dbraw/zinc/52/03/84/558520384.db2.gz GTSCCWHJYYVRRW-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000386230817 558607020 /nfs/dbraw/zinc/60/70/20/558607020.db2.gz PUCQFFLQQGDMQR-LBPRGKRZSA-N -1 1 361.179 2.152 20 0 FEADMM O=C([O-])C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000388198857 558608895 /nfs/dbraw/zinc/60/88/95/558608895.db2.gz MRUBOTXPZDLPIJ-UFBFGSQYSA-N -1 1 351.346 2.416 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000392910706 558619654 /nfs/dbraw/zinc/61/96/54/558619654.db2.gz CDVGAEZEVVFFAM-UHFFFAOYSA-N -1 1 359.407 2.218 20 0 FEADMM O=C(NCC1=CCOCC1)c1cc(I)ccc1[O-] ZINC000397695769 558624879 /nfs/dbraw/zinc/62/48/79/558624879.db2.gz DWFZZZGAJOHPJY-UHFFFAOYSA-N -1 1 359.163 2.073 20 0 FEADMM C[C@H]1Sc2ccc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)cc2NC1=O ZINC000408000200 558637017 /nfs/dbraw/zinc/63/70/17/558637017.db2.gz YAZJLVFTBRIWGV-KOLCDFICSA-N -1 1 374.422 2.228 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1C ZINC000408235646 558659332 /nfs/dbraw/zinc/65/93/32/558659332.db2.gz KBWPIJMIEIPMER-MNOVXSKESA-N -1 1 364.464 2.006 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCCOCC1 ZINC000408410161 558674410 /nfs/dbraw/zinc/67/44/10/558674410.db2.gz KPLOUHABAOEQDS-SFHVURJKSA-N -1 1 368.433 2.399 20 0 FEADMM Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000524337943 562227227 /nfs/dbraw/zinc/22/72/27/562227227.db2.gz DZZPCNQUKGONFY-GFCCVEGCSA-N -1 1 366.425 2.014 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000524474766 562229310 /nfs/dbraw/zinc/22/93/10/562229310.db2.gz MTDANEBPRFQBFO-UHFFFAOYSA-N -1 1 354.815 2.380 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000410291535 558750305 /nfs/dbraw/zinc/75/03/05/558750305.db2.gz YWOQUQFSLKZODK-GHMZBOCLSA-N -1 1 366.343 2.839 20 0 FEADMM Cn1ccc2c([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cccc2c1=O ZINC000410327446 558751657 /nfs/dbraw/zinc/75/16/57/558751657.db2.gz UWIVRRRHAZMMSG-UHFFFAOYSA-N -1 1 372.402 2.111 20 0 FEADMM COc1cncc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000410396250 558755023 /nfs/dbraw/zinc/75/50/23/558755023.db2.gz BNPXNUBLEYIUIH-LLVKDONJSA-N -1 1 350.396 2.154 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)ccc1C ZINC000410416382 558756377 /nfs/dbraw/zinc/75/63/77/558756377.db2.gz GXNWIJHPWGFYNN-UHFFFAOYSA-N -1 1 373.434 2.491 20 0 FEADMM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C(=O)N(C)C ZINC000524855278 562236142 /nfs/dbraw/zinc/23/61/42/562236142.db2.gz KXPRVLNVSOYYGA-UHFFFAOYSA-N -1 1 368.436 2.257 20 0 FEADMM CCOC(=O)[C@@H](CC)C([O-])=Nc1nc(Cc2ccc(F)cc2F)ns1 ZINC000412250720 559022871 /nfs/dbraw/zinc/02/28/71/559022871.db2.gz KPWODSUTCJGGDQ-NSHDSACASA-N -1 1 369.393 2.357 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000412286637 559024963 /nfs/dbraw/zinc/02/49/63/559024963.db2.gz DFUODIQFDMWWRF-CVEARBPZSA-N -1 1 368.437 2.491 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(c3ccccc3)(C(C)C)C2)o1 ZINC000412789212 559056193 /nfs/dbraw/zinc/05/61/93/559056193.db2.gz AITOJVIEFPIOHJ-UHFFFAOYSA-N -1 1 362.451 2.238 20 0 FEADMM CCNC(=O)c1ccc(=NCCOc2ccccc2C(F)(F)F)[n-]n1 ZINC000413130997 559081217 /nfs/dbraw/zinc/08/12/17/559081217.db2.gz RSRUDCXZWFNMLS-UHFFFAOYSA-N -1 1 354.332 2.736 20 0 FEADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1cnn(C)c1 ZINC000413678250 559124279 /nfs/dbraw/zinc/12/42/79/559124279.db2.gz UVNSRONESDGIMF-JTQLQIEISA-N -1 1 354.407 2.063 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(F)c1 ZINC000414417367 559162722 /nfs/dbraw/zinc/16/27/22/559162722.db2.gz XKWVMTRCRPAYCL-LLVKDONJSA-N -1 1 355.391 2.183 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccncc3)CCCC2)o1 ZINC000414466231 559166301 /nfs/dbraw/zinc/16/63/01/559166301.db2.gz UKWXFPMIMWEKNS-UHFFFAOYSA-N -1 1 364.423 2.252 20 0 FEADMM CC1=CCN(CCNC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000414647313 559176947 /nfs/dbraw/zinc/17/69/47/559176947.db2.gz SWMCZZXFDPIMEV-GOSISDBHSA-N -1 1 359.470 2.414 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2cccc(Br)c2)C1=O ZINC000414645741 559177009 /nfs/dbraw/zinc/17/70/09/559177009.db2.gz AFVPLYVPUGTZIO-ZIAGYGMSSA-N -1 1 369.259 2.249 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2cccc(OC(F)F)c2)C1=O ZINC000414657868 559177922 /nfs/dbraw/zinc/17/79/22/559177922.db2.gz MHBCMMBGIRACMW-KGLIPLIRSA-N -1 1 356.369 2.088 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2sc(C(C)(C)OC)nc2C)n1 ZINC000415635382 559257226 /nfs/dbraw/zinc/25/72/26/559257226.db2.gz CZWJJYGMFBCCPN-UHFFFAOYSA-N -1 1 352.416 2.485 20 0 FEADMM O=C(c1ccc(COC(F)(F)F)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000527250808 562282273 /nfs/dbraw/zinc/28/22/73/562282273.db2.gz CIHSPDUVFFTCTG-GFCCVEGCSA-N -1 1 355.320 2.256 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000416139366 559293796 /nfs/dbraw/zinc/29/37/96/559293796.db2.gz PYHGZBZRRHFGRY-SSDOTTSWSA-N -1 1 373.287 2.286 20 0 FEADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416141666 559293918 /nfs/dbraw/zinc/29/39/18/559293918.db2.gz DOQPMORJJIOIIG-CYBMUJFWSA-N -1 1 359.382 2.055 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000416189720 559297330 /nfs/dbraw/zinc/29/73/30/559297330.db2.gz LHJJJOQPTKHHOA-JTQLQIEISA-N -1 1 365.773 2.194 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2)c1ccco1 ZINC000416420887 559311793 /nfs/dbraw/zinc/31/17/93/559311793.db2.gz YGWHQNSYRUNIEH-SECBINFHSA-N -1 1 361.322 2.267 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000416505720 559318510 /nfs/dbraw/zinc/31/85/10/559318510.db2.gz BYUWXEZZDPZEIB-VXGBXAGGSA-N -1 1 371.436 2.326 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)o1 ZINC000416534402 559320286 /nfs/dbraw/zinc/32/02/86/559320286.db2.gz HSRAQSHKQOTEEK-MRVPVSSYSA-N -1 1 356.425 2.051 20 0 FEADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1Br ZINC000417596765 559368753 /nfs/dbraw/zinc/36/87/53/559368753.db2.gz LIDYWIKHLASXRZ-CYBMUJFWSA-N -1 1 354.204 2.107 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)C[C@@H](CC)OC)c1 ZINC000421165751 559528139 /nfs/dbraw/zinc/52/81/39/559528139.db2.gz NMWWGKFWQUHYRY-OAHLLOKOSA-N -1 1 359.444 2.176 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cnn(C2CCOCC2)c1C ZINC000421165200 559528153 /nfs/dbraw/zinc/52/81/53/559528153.db2.gz LSRKKXRGQJQRFI-OAHLLOKOSA-N -1 1 359.492 2.346 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc2c1ccn(C)c2=O ZINC000421166137 559528291 /nfs/dbraw/zinc/52/82/91/559528291.db2.gz OWPSWQGBSZPCML-CYBMUJFWSA-N -1 1 352.456 2.341 20 0 FEADMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000421995528 559559569 /nfs/dbraw/zinc/55/95/69/559559569.db2.gz UQJXVZYNJIMRSP-NEPJUHHUSA-N -1 1 374.441 2.114 20 0 FEADMM C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000422017027 559560936 /nfs/dbraw/zinc/56/09/36/559560936.db2.gz PHGWJDQXXMUETR-RHSMWYFYSA-N -1 1 374.462 2.473 20 0 FEADMM Cn1[n-]c(=NS(=O)(=O)CCc2ccc(Cl)cc2)cc1OC(F)F ZINC000424072795 559653742 /nfs/dbraw/zinc/65/37/42/559653742.db2.gz ZHHJDYKITQKFKX-UHFFFAOYSA-N -1 1 365.789 2.659 20 0 FEADMM COc1ccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])c(OC)c1 ZINC000424249111 559659367 /nfs/dbraw/zinc/65/93/67/559659367.db2.gz AHOQHOILPRQOTM-CYBMUJFWSA-N -1 1 350.415 2.362 20 0 FEADMM CCC(CC)(CNC(=O)N1CCC(CCN2CCOCC2)CC1)C(=O)[O-] ZINC000424421877 559663876 /nfs/dbraw/zinc/66/38/76/559663876.db2.gz DVPGGMAKCSQPPY-UHFFFAOYSA-N -1 1 369.506 2.021 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000424576212 559669974 /nfs/dbraw/zinc/66/99/74/559669974.db2.gz MIDGUBPPQFFXRV-GYCJOSAFSA-N -1 1 366.508 2.283 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCc2nnc3ccccn32)c(F)c1 ZINC000425166519 559689220 /nfs/dbraw/zinc/68/92/20/559689220.db2.gz IGFNLDSLDAVUMQ-UHFFFAOYSA-N -1 1 366.393 2.227 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCC[N@@H+]2CCCO[C@H](C)C2)c(F)c1 ZINC000425193737 559690527 /nfs/dbraw/zinc/69/05/27/559690527.db2.gz NIHREIGAZSRNLO-CYBMUJFWSA-N -1 1 362.442 2.052 20 0 FEADMM C[C@@H](N=c1ccc(N2CCN(Cc3ccon3)CC2)n[n-]1)c1ccccc1 ZINC000425227264 559692289 /nfs/dbraw/zinc/69/22/89/559692289.db2.gz IQUAGDYDQMTBPV-MRXNPFEDSA-N -1 1 364.453 2.960 20 0 FEADMM CCNC(=O)c1ccc(=NC[C@H](CC(C)C)C(=O)OC(C)(C)C)[n-]n1 ZINC000425263237 559694016 /nfs/dbraw/zinc/69/40/16/559694016.db2.gz AXUHYKNJZCZTSR-ZDUSSCGKSA-N -1 1 350.463 2.642 20 0 FEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)c2c1 ZINC000425309279 559696007 /nfs/dbraw/zinc/69/60/07/559696007.db2.gz VTOOKKXUUWVAPA-JTQLQIEISA-N -1 1 372.356 2.496 20 0 FEADMM O=C([C@H]1CCN(c2ccccc2F)C1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425310536 559696070 /nfs/dbraw/zinc/69/60/70/559696070.db2.gz XLFPGKULLJGNHJ-STQMWFEESA-N -1 1 360.389 2.147 20 0 FEADMM COC(C)(C)c1nc(C)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)s1 ZINC000425320817 559696435 /nfs/dbraw/zinc/69/64/35/559696435.db2.gz LMNKVYYMDJVSDH-UHFFFAOYSA-N -1 1 366.443 2.441 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ncccc1[O-] ZINC000427556463 559757933 /nfs/dbraw/zinc/75/79/33/559757933.db2.gz ZQNPBXXSOJZXQX-NSHDSACASA-N -1 1 354.328 2.387 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cnc1C ZINC000427786956 559762511 /nfs/dbraw/zinc/76/25/11/559762511.db2.gz HZXTZSOHSIITMY-UHFFFAOYSA-N -1 1 364.427 2.358 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ncccc1[O-])c1ccc(OC)c(Cl)c1 ZINC000427810607 559763122 /nfs/dbraw/zinc/76/31/22/559763122.db2.gz IOJSFXAUDXCXCY-ZDUSSCGKSA-N -1 1 350.758 2.093 20 0 FEADMM Cc1cnc(C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)c([O-])c1 ZINC000427843513 559763926 /nfs/dbraw/zinc/76/39/26/559763926.db2.gz VISPMHVBQOWYTG-HNNXBMFYSA-N -1 1 363.776 2.201 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2nc3ccccc3s2)c1 ZINC000427903750 559765021 /nfs/dbraw/zinc/76/50/21/559765021.db2.gz LPUDZIWLRSKAIR-UHFFFAOYSA-N -1 1 363.420 2.162 20 0 FEADMM CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(CC)cc(=O)[n-]2)CC1 ZINC000428698066 559781397 /nfs/dbraw/zinc/78/13/97/559781397.db2.gz DLNLFPYAVAXDEX-NSHDSACASA-N -1 1 367.471 2.027 20 0 FEADMM COc1ccc(NC(=O)NC[C@H]2CCC(C)(C)O2)cc1[N-]S(C)(=O)=O ZINC000429318707 559795881 /nfs/dbraw/zinc/79/58/81/559795881.db2.gz RZVQNJPJXMUIIZ-GFCCVEGCSA-N -1 1 371.459 2.146 20 0 FEADMM CCOc1nc(C(F)(F)F)ccc1C(=O)N=c1nc(C(F)(F)F)[n-][nH]1 ZINC000429602105 559802096 /nfs/dbraw/zinc/80/20/96/559802096.db2.gz BQXPBAOISXBHLB-UHFFFAOYSA-N -1 1 369.225 2.888 20 0 FEADMM C[C@@H](CN=c1ccc(C(=O)NC2CCCC2)n[n-]1)N1CCc2ccccc21 ZINC000432145626 559852957 /nfs/dbraw/zinc/85/29/57/559852957.db2.gz UTPGKHASAKUCKV-HNNXBMFYSA-N -1 1 365.481 3.012 20 0 FEADMM COc1ccc(CCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)cc1F ZINC000432368462 559857506 /nfs/dbraw/zinc/85/75/06/559857506.db2.gz QCJQNEFIDASVFV-UHFFFAOYSA-N -1 1 358.417 2.951 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2CCC[C@H](OC)C2)cc1[N-]S(C)(=O)=O ZINC000432407937 559858120 /nfs/dbraw/zinc/85/81/20/559858120.db2.gz QNJSFFZIMWXUPM-YPMHNXCESA-N -1 1 356.444 2.210 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000432619984 559861867 /nfs/dbraw/zinc/86/18/67/559861867.db2.gz REQDOUPMGKTEDD-UHFFFAOYSA-N -1 1 354.395 2.159 20 0 FEADMM COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432782894 559864745 /nfs/dbraw/zinc/86/47/45/559864745.db2.gz WMKFKWGXHCUBEA-UHFFFAOYSA-N -1 1 364.423 2.349 20 0 FEADMM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)c1 ZINC000433420736 559880840 /nfs/dbraw/zinc/88/08/40/559880840.db2.gz LZGCKQTXJDWTST-UHFFFAOYSA-N -1 1 367.423 2.376 20 0 FEADMM CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433525328 559883572 /nfs/dbraw/zinc/88/35/72/559883572.db2.gz ONNCDYOWXXRSES-UHFFFAOYSA-N -1 1 351.380 2.314 20 0 FEADMM O=S(=O)([N-]CCN1CCSCC1)c1c(Cl)cc(F)cc1Cl ZINC000435433858 559922828 /nfs/dbraw/zinc/92/28/28/559922828.db2.gz PLIKXYKYJPEPKU-UHFFFAOYSA-N -1 1 373.302 2.460 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(-c4ccccc4)n[nH]3)ccc2N1 ZINC000434972365 559913635 /nfs/dbraw/zinc/91/36/35/559913635.db2.gz GTLLLYLHSOBKGF-UHFFFAOYSA-N -1 1 354.391 2.372 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)o1 ZINC000435588002 559925640 /nfs/dbraw/zinc/92/56/40/559925640.db2.gz HSWUOJIFOQEIKN-XYPYZODXSA-N -1 1 353.371 2.430 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1c(F)cc(F)c(F)c1F)c2=O ZINC000435919512 559932351 /nfs/dbraw/zinc/93/23/51/559932351.db2.gz YMIZKFCDYWCYBQ-UHFFFAOYSA-N -1 1 354.263 2.160 20 0 FEADMM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000436149070 559936139 /nfs/dbraw/zinc/93/61/39/559936139.db2.gz HYVMJWWYOPEMFD-UHFFFAOYSA-N -1 1 359.381 2.244 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000436504799 559943333 /nfs/dbraw/zinc/94/33/33/559943333.db2.gz OJFRHRWLLDYQKT-UHFFFAOYSA-N -1 1 373.756 2.060 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 ZINC000436503222 559943482 /nfs/dbraw/zinc/94/34/82/559943482.db2.gz GCLABRTVSKBJMP-UHFFFAOYSA-N -1 1 354.366 2.330 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)c1 ZINC000436503800 559943553 /nfs/dbraw/zinc/94/35/53/559943553.db2.gz HYHXJOPXDZXKNP-LLVKDONJSA-N -1 1 357.366 2.328 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(C2N=NC(=O)O2)CC1 ZINC000436555726 559945436 /nfs/dbraw/zinc/94/54/36/559945436.db2.gz NNLLFTPNCSQUIE-UHFFFAOYSA-N -1 1 368.187 2.263 20 0 FEADMM O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(F)ccc1[O-] ZINC000436591721 559946288 /nfs/dbraw/zinc/94/62/88/559946288.db2.gz XXOCBFDPXAYUAI-UHFFFAOYSA-N -1 1 365.162 2.495 20 0 FEADMM COc1ccc(F)c(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436612443 559946658 /nfs/dbraw/zinc/94/66/58/559946658.db2.gz YBACDHXZDUKPRA-UHFFFAOYSA-N -1 1 358.369 2.071 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000436618634 559946762 /nfs/dbraw/zinc/94/67/62/559946762.db2.gz OGWHWQJGQABCFC-UHFFFAOYSA-N -1 1 372.402 2.411 20 0 FEADMM C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436630387 559947189 /nfs/dbraw/zinc/94/71/89/559947189.db2.gz NGHHGWPERBCSDJ-YCRPNKLZSA-N -1 1 369.417 2.144 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCc3c2cccc3Cl)c1 ZINC000436703090 559949423 /nfs/dbraw/zinc/94/94/23/559949423.db2.gz FZUNSWZFPAFDEB-UHFFFAOYSA-N -1 1 353.783 2.495 20 0 FEADMM COCc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436725527 559950181 /nfs/dbraw/zinc/95/01/81/559950181.db2.gz SBRAMUYPLWFIPV-UHFFFAOYSA-N -1 1 351.380 2.346 20 0 FEADMM O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000436747565 559950764 /nfs/dbraw/zinc/95/07/64/559950764.db2.gz NQQVWOAAEAKKFY-QGZVFWFLSA-N -1 1 362.376 2.474 20 0 FEADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436753255 559950943 /nfs/dbraw/zinc/95/09/43/559950943.db2.gz CZUKAMHINZRXNU-UHFFFAOYSA-N -1 1 364.423 2.424 20 0 FEADMM Cc1noc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)n1 ZINC000436751495 559950961 /nfs/dbraw/zinc/95/09/61/559950961.db2.gz LNXMBCNFRDKPCA-UHFFFAOYSA-N -1 1 370.331 2.060 20 0 FEADMM CC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@@H](C)S1(=O)=O ZINC000436794202 559952217 /nfs/dbraw/zinc/95/22/17/559952217.db2.gz ULADBOBQALHRFF-KOLCDFICSA-N -1 1 361.847 2.092 20 0 FEADMM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436909223 559955953 /nfs/dbraw/zinc/95/59/53/559955953.db2.gz XYMFDEWSJAETJL-UHFFFAOYSA-N -1 1 366.417 2.244 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(OC)cc1OC ZINC000436920492 559956582 /nfs/dbraw/zinc/95/65/82/559956582.db2.gz PQGIUUWFPONSKN-MRXNPFEDSA-N -1 1 363.341 2.193 20 0 FEADMM O=C(NCc1cn2cc(Br)ccc2n1)C(=O)c1ccc([O-])cc1 ZINC000436931745 559956839 /nfs/dbraw/zinc/95/68/39/559956839.db2.gz LZJYWFPXXMNTDZ-UHFFFAOYSA-N -1 1 374.194 2.302 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cs1 ZINC000438817107 559984091 /nfs/dbraw/zinc/98/40/91/559984091.db2.gz XTUPAISKYVIVCT-UHFFFAOYSA-N -1 1 372.399 2.433 20 0 FEADMM C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OCC ZINC000440093050 560004556 /nfs/dbraw/zinc/00/45/56/560004556.db2.gz RCPSUSACGZUYCJ-TZGMSPROSA-N -1 1 351.346 2.280 20 0 FEADMM C[C@@](O)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000440208418 560006767 /nfs/dbraw/zinc/00/67/67/560006767.db2.gz RFNIBFHGLNCMQZ-LJQANCHMSA-N -1 1 374.462 2.378 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1OC ZINC000442235677 560046577 /nfs/dbraw/zinc/04/65/77/560046577.db2.gz IUNKZQVQJCTUHK-UHFFFAOYSA-N -1 1 363.395 2.097 20 0 FEADMM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000442321771 560049193 /nfs/dbraw/zinc/04/91/93/560049193.db2.gz GNDWLUIYOMODDV-UHFFFAOYSA-N -1 1 371.212 2.054 20 0 FEADMM CCN1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@H]1c1ncc[nH]1 ZINC000442987129 560065262 /nfs/dbraw/zinc/06/52/62/560065262.db2.gz JJQHALSPLXZAOX-ZDUSSCGKSA-N -1 1 364.833 2.296 20 0 FEADMM COc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)ccc1O ZINC000443130852 560072134 /nfs/dbraw/zinc/07/21/34/560072134.db2.gz JDWKRHIXCQUNNR-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000443171122 560073484 /nfs/dbraw/zinc/07/34/84/560073484.db2.gz INPYXTWURHDTII-UHFFFAOYSA-N -1 1 374.422 2.293 20 0 FEADMM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1cc(F)c(F)cc1F ZINC000443266782 560076869 /nfs/dbraw/zinc/07/68/69/560076869.db2.gz UTTQEEASXVUUFS-GFCCVEGCSA-N -1 1 367.295 2.394 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)c1 ZINC000443411731 560083341 /nfs/dbraw/zinc/08/33/41/560083341.db2.gz GRNVGKWYGWVFST-UHFFFAOYSA-N -1 1 363.439 2.173 20 0 FEADMM NC(=O)c1cc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)on1 ZINC000443753319 560091779 /nfs/dbraw/zinc/09/17/79/560091779.db2.gz ITCVRRURBCKVHR-UHFFFAOYSA-N -1 1 365.798 2.059 20 0 FEADMM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3ncc(C)cc3[O-])CC2)o1 ZINC000527588297 562296543 /nfs/dbraw/zinc/29/65/43/562296543.db2.gz YTTVAUZIIQQTIH-UHFFFAOYSA-N -1 1 357.410 2.340 20 0 FEADMM Cc1cc(=NC(=O)c2cnc3c(OC(F)(F)F)cccc3c2[O-])[nH]n1C ZINC000444338538 560110112 /nfs/dbraw/zinc/11/01/12/560110112.db2.gz NYRCBUUBQWZUQU-UHFFFAOYSA-N -1 1 366.299 2.721 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)c1 ZINC000444465643 560114279 /nfs/dbraw/zinc/11/42/79/560114279.db2.gz ISONFPSLJAYCTA-UHFFFAOYSA-N -1 1 358.383 2.153 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccnc(C4CC4)c3)CC2)n1 ZINC000444761225 560120073 /nfs/dbraw/zinc/12/00/73/560120073.db2.gz VSEDOFSWYWQASO-UHFFFAOYSA-N -1 1 369.425 2.274 20 0 FEADMM COCC[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOC1 ZINC000445068866 560127960 /nfs/dbraw/zinc/12/79/60/560127960.db2.gz YQDYYKZCJGGUKO-CYBMUJFWSA-N -1 1 354.255 2.467 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(OC)cc2)o1 ZINC000445738855 560134482 /nfs/dbraw/zinc/13/44/82/560134482.db2.gz BOUNGXFLMCVLEO-UHFFFAOYSA-N -1 1 367.423 2.374 20 0 FEADMM O=C1NC2(CC2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445887019 560136353 /nfs/dbraw/zinc/13/63/53/560136353.db2.gz FFANDHBIODWGNV-UHFFFAOYSA-N -1 1 357.391 2.076 20 0 FEADMM Cc1c(F)cccc1NC(=O)CCS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000447498470 560163182 /nfs/dbraw/zinc/16/31/82/560163182.db2.gz CRNBCGWDHPXREY-UHFFFAOYSA-N -1 1 368.434 2.352 20 0 FEADMM CCNC(=O)c1ccc(=NCCC(=O)Nc2cccc(Cl)c2C)[n-]n1 ZINC000447653392 560166007 /nfs/dbraw/zinc/16/60/07/560166007.db2.gz SFQFURWCTPUMGX-UHFFFAOYSA-N -1 1 361.833 2.629 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448183567 560180163 /nfs/dbraw/zinc/18/01/63/560180163.db2.gz WZWLTXKFOMZESF-MRXNPFEDSA-N -1 1 368.499 2.346 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2ncoc2[C@@H]2CCCO2)c1Br ZINC000448315758 560183937 /nfs/dbraw/zinc/18/39/37/560183937.db2.gz IKTATCLCPNGXMA-QMMMGPOBSA-N -1 1 355.192 2.826 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2nc(-c3ccccc3)oc2C)n1 ZINC000448540418 560189473 /nfs/dbraw/zinc/18/94/73/560189473.db2.gz ZYICXGDMNWSJQK-UHFFFAOYSA-N -1 1 361.379 2.134 20 0 FEADMM CN1CCN(Cc2cccc([N-]S(=O)(=O)c3sccc3F)c2)CC1 ZINC000451005548 560281935 /nfs/dbraw/zinc/28/19/35/560281935.db2.gz 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ZINC000451536649 560313069 /nfs/dbraw/zinc/31/30/69/560313069.db2.gz SOFAAXURPDOXMD-UHFFFAOYSA-N -1 1 357.906 2.037 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]2C)c(F)c1 ZINC000451599393 560316767 /nfs/dbraw/zinc/31/67/67/560316767.db2.gz GARMJPOQDGFPLK-MNOVXSKESA-N -1 1 364.464 2.006 20 0 FEADMM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000451794198 560328861 /nfs/dbraw/zinc/32/88/61/560328861.db2.gz XCCMEZKEIRXTHW-PRHODGIISA-N -1 1 372.245 2.462 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)s1 ZINC000451820510 560330765 /nfs/dbraw/zinc/33/07/65/560330765.db2.gz DNHYGXQIJSBZGY-MRVPVSSYSA-N -1 1 369.411 2.257 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)o1 ZINC000451959781 560340710 /nfs/dbraw/zinc/34/07/10/560340710.db2.gz NURDUZRGCRPWMC-UHFFFAOYSA-N -1 1 358.391 2.262 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3c(F)cccc32)co1 ZINC000452191948 560355173 /nfs/dbraw/zinc/35/51/73/560355173.db2.gz QTLFMIIMWBQQDM-CQSZACIVSA-N -1 1 352.387 2.134 20 0 FEADMM CC1(F)CC(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000452284217 560357288 /nfs/dbraw/zinc/35/72/88/560357288.db2.gz NXSUMJYJWLHINS-UHFFFAOYSA-N -1 1 369.245 2.279 20 0 FEADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000452622083 560369184 /nfs/dbraw/zinc/36/91/84/560369184.db2.gz QEHHDSUDHYAIEK-ZUZCIYMTSA-N -1 1 350.802 2.375 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452671963 560370738 /nfs/dbraw/zinc/37/07/38/560370738.db2.gz ZWVJXOYLDOZVHL-BBWFWOEESA-N -1 1 372.469 2.136 20 0 FEADMM CCO[C@H]1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@H]1C ZINC000452834757 560375911 /nfs/dbraw/zinc/37/59/11/560375911.db2.gz QLHSTQNIZSRXMH-WBMJQRKESA-N -1 1 360.458 2.258 20 0 FEADMM COc1n[n-]c(=NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)s1 ZINC000455263976 560475954 /nfs/dbraw/zinc/47/59/54/560475954.db2.gz LHOOAFOMKNEGND-LBPRGKRZSA-N -1 1 367.500 2.693 20 0 FEADMM COc1ccccc1-c1n[n-]c(=NC(=O)N2CCN(C)[C@@H](C)[C@H]2C)s1 ZINC000455817688 560495766 /nfs/dbraw/zinc/49/57/66/560495766.db2.gz XOTZPZSHQSEUQG-NWDGAFQWSA-N -1 1 361.471 2.770 20 0 FEADMM COc1cc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000456100176 560507063 /nfs/dbraw/zinc/50/70/63/560507063.db2.gz QAJYOVWHNVMBLW-UHFFFAOYSA-N -1 1 366.723 2.249 20 0 FEADMM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc([O-])c(F)c1F)C2=O ZINC000456797135 560533145 /nfs/dbraw/zinc/53/31/45/560533145.db2.gz ZBMPTJBJJMUOTI-UHFFFAOYSA-N -1 1 367.352 2.110 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000457226597 560556890 /nfs/dbraw/zinc/55/68/90/560556890.db2.gz GCMGNQKAMMHFDC-QGZVFWFLSA-N -1 1 367.471 2.406 20 0 FEADMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])c(Cl)c3)[C@H](C)C2)n[nH]1 ZINC000457299711 560561137 /nfs/dbraw/zinc/56/11/37/560561137.db2.gz WMCWDYPLKVOTIJ-LLVKDONJSA-N -1 1 362.817 2.064 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000458359553 560616995 /nfs/dbraw/zinc/61/69/95/560616995.db2.gz QAMAUDKDZANLNJ-SECBINFHSA-N -1 1 355.460 2.262 20 0 FEADMM Cc1cccc([C@H](CNC(=O)c2ncc(C)cc2[O-])N2CCOCC2)c1 ZINC000460295646 560740946 /nfs/dbraw/zinc/74/09/46/560740946.db2.gz JHPFOEGJTLHGHF-KRWDZBQOSA-N -1 1 355.438 2.207 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1nc(-c2ccc(F)cn2)no1 ZINC000460659130 560748451 /nfs/dbraw/zinc/74/84/51/560748451.db2.gz YZGMOCRZKSZONI-SECBINFHSA-N -1 1 366.349 2.449 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000460820656 560752685 /nfs/dbraw/zinc/75/26/85/560752685.db2.gz PCHFFKTYWHDTHF-UHFFFAOYSA-N -1 1 372.435 2.288 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccnc1-2 ZINC000461110583 560761716 /nfs/dbraw/zinc/76/17/16/560761716.db2.gz GFWSTDXVTRQJMD-UHFFFAOYSA-N -1 1 374.319 2.301 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(C)cc2C)c1 ZINC000461447240 560771795 /nfs/dbraw/zinc/77/17/95/560771795.db2.gz FPSPTWXVCUQTNO-UHFFFAOYSA-N -1 1 362.451 2.488 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000461443998 560771800 /nfs/dbraw/zinc/77/18/00/560771800.db2.gz PLUQNFGGYCMPNS-LBPRGKRZSA-N -1 1 364.448 2.128 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C(C)=O)c2)c1 ZINC000461465265 560772779 /nfs/dbraw/zinc/77/27/79/560772779.db2.gz PECFLTJCHHNYDE-UHFFFAOYSA-N -1 1 362.407 2.064 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)cc(Cl)c1[O-] ZINC000461516934 560774222 /nfs/dbraw/zinc/77/42/22/560774222.db2.gz OKBWOEQHXWJYFP-AWEZNQCLSA-N -1 1 357.834 2.352 20 0 FEADMM CC(C)(NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1nn[n-]n1 ZINC000461632627 560777943 /nfs/dbraw/zinc/77/79/43/560777943.db2.gz GBEJKPURUOTIKB-WDEREUQCSA-N -1 1 350.220 2.117 20 0 FEADMM CC(C)(NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nn[n-]n1 ZINC000461636404 560778322 /nfs/dbraw/zinc/77/83/22/560778322.db2.gz PKGPSAFHVWTBCO-UHFFFAOYSA-N -1 1 360.805 2.492 20 0 FEADMM CCSc1cc(Cl)ccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000461869660 560785754 /nfs/dbraw/zinc/78/57/54/560785754.db2.gz ZKFXFUKPWVEWQN-UHFFFAOYSA-N -1 1 360.848 2.226 20 0 FEADMM CCSc1cc(Cl)ccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000461869660 560785756 /nfs/dbraw/zinc/78/57/56/560785756.db2.gz ZKFXFUKPWVEWQN-UHFFFAOYSA-N -1 1 360.848 2.226 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cnc3onc(C)c3c2)o1 ZINC000462292959 560804774 /nfs/dbraw/zinc/80/47/74/560804774.db2.gz BWAUNTIWHUNVRI-AWEZNQCLSA-N -1 1 365.411 2.353 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)ccc1OC(C)C ZINC000463785059 560824123 /nfs/dbraw/zinc/82/41/23/560824123.db2.gz DHZVJDKGQKAIHH-UHFFFAOYSA-N -1 1 364.423 2.382 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CN1c1ccccc1 ZINC000464186076 560835032 /nfs/dbraw/zinc/83/50/32/560835032.db2.gz JZYTVTUKDLCHPH-CYBMUJFWSA-N -1 1 354.790 2.173 20 0 FEADMM Cc1c(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cnn1C ZINC000464844176 560853491 /nfs/dbraw/zinc/85/34/91/560853491.db2.gz FHOLZLHTHUELPX-UHFFFAOYSA-N -1 1 367.427 2.081 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3c(C)n[nH]c3C(F)F)cc2oc1=O ZINC000466975764 560900596 /nfs/dbraw/zinc/90/05/96/560900596.db2.gz QBRIHCOCWJEJMI-UHFFFAOYSA-N -1 1 372.353 2.384 20 0 FEADMM COc1cc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1F ZINC000467937707 560919872 /nfs/dbraw/zinc/91/98/72/560919872.db2.gz IOFFINSRJYLPDJ-UHFFFAOYSA-N -1 1 359.306 2.178 20 0 FEADMM CCC(=O)Nc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1 ZINC000468404355 560929011 /nfs/dbraw/zinc/92/90/11/560929011.db2.gz WFTUEQDOJVYWDE-UHFFFAOYSA-N -1 1 367.365 2.345 20 0 FEADMM CO[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(F)(F)F ZINC000468831470 560939998 /nfs/dbraw/zinc/93/99/98/560939998.db2.gz FAMOMSQDYKDZIJ-VIFPVBQESA-N -1 1 351.268 2.350 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1ccc(F)c(C)c1 ZINC000468890051 560941589 /nfs/dbraw/zinc/94/15/89/560941589.db2.gz HJSQWYYHOVTBQR-AWEZNQCLSA-N -1 1 363.414 2.809 20 0 FEADMM COC(=O)c1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1C ZINC000468973935 560943700 /nfs/dbraw/zinc/94/37/00/560943700.db2.gz MMXSWIJZDNAPSS-UHFFFAOYSA-N -1 1 368.349 2.092 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Br)cc1 ZINC000469627591 560960150 /nfs/dbraw/zinc/96/01/50/560960150.db2.gz NQXJCZZXTGZLOC-CYBMUJFWSA-N -1 1 365.183 2.194 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCCn2cnc3ccccc32)sc1C ZINC000470771751 560989404 /nfs/dbraw/zinc/98/94/04/560989404.db2.gz GZHXBMYXJAKGQN-UHFFFAOYSA-N -1 1 350.469 2.478 20 0 FEADMM CC(C)(C(=O)NC1(c2nn[n-]n2)CC1)c1ccc(Br)cc1 ZINC000470971179 560995650 /nfs/dbraw/zinc/99/56/50/560995650.db2.gz YEVPMQVTLQFLTF-UHFFFAOYSA-N -1 1 350.220 2.045 20 0 FEADMM CCCOc1c(Cl)cc(C(=O)NC2(c3nn[n-]n3)CC2)cc1OC ZINC000470975887 560995746 /nfs/dbraw/zinc/99/57/46/560995746.db2.gz PHYCGZMLMCPHBA-UHFFFAOYSA-N -1 1 351.794 2.070 20 0 FEADMM COC1CCC(C)(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000471267631 561001571 /nfs/dbraw/zinc/00/15/71/561001571.db2.gz ZZBVESSSMBCBBY-UHFFFAOYSA-N -1 1 360.458 2.306 20 0 FEADMM COc1ccc(-c2nc(SCc3nn[n-]n3)n[nH]2)cc1Br ZINC000473508839 561051390 /nfs/dbraw/zinc/05/13/90/561051390.db2.gz PKVRCBGMJQIQSO-UHFFFAOYSA-N -1 1 368.220 2.048 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000474323426 561071155 /nfs/dbraw/zinc/07/11/55/561071155.db2.gz JYOVMAGIBIDWRJ-UHFFFAOYSA-N -1 1 369.450 2.387 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000474334925 561071590 /nfs/dbraw/zinc/07/15/90/561071590.db2.gz XWDPPPCENONYAC-UHFFFAOYSA-N -1 1 369.450 2.371 20 0 FEADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000474417085 561073673 /nfs/dbraw/zinc/07/36/73/561073673.db2.gz WYFHYMBDMLFSJZ-UHFFFAOYSA-N -1 1 366.786 2.199 20 0 FEADMM CC(C)c1nc(C(=O)NC(C)(C)c2nn[n-]n2)nn1-c1ccccc1Cl ZINC000475018696 561087896 /nfs/dbraw/zinc/08/78/96/561087896.db2.gz SIBIUVIMSATOIC-UHFFFAOYSA-N -1 1 374.836 2.222 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C ZINC000475787528 561105310 /nfs/dbraw/zinc/10/53/10/561105310.db2.gz DLWQYGLCQROBQX-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000476483751 561120623 /nfs/dbraw/zinc/12/06/23/561120623.db2.gz BGZJINRGZWRLHA-BLLLJJGKSA-N -1 1 370.471 2.176 20 0 FEADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000476523319 561121630 /nfs/dbraw/zinc/12/16/30/561121630.db2.gz KOASUESIWPQIAR-BLLLJJGKSA-N -1 1 372.487 2.422 20 0 FEADMM CCCCN(C1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476959162 561133020 /nfs/dbraw/zinc/13/30/20/561133020.db2.gz RHJGEOPYZMVNET-UHFFFAOYSA-N -1 1 364.464 2.150 20 0 FEADMM CCC(C)(C)OC1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000529810917 562386327 /nfs/dbraw/zinc/38/63/27/562386327.db2.gz VDHQAMAJIRICIS-UHFFFAOYSA-N -1 1 360.458 2.400 20 0 FEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000530005535 562394219 /nfs/dbraw/zinc/39/42/19/562394219.db2.gz HWCXUGAXAIKJRJ-GFCCVEGCSA-N -1 1 372.352 2.294 20 0 FEADMM CCOc1ccc(OC[C@H](O)CN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000530167878 562401120 /nfs/dbraw/zinc/40/11/20/562401120.db2.gz HCALLGMSCQBXLB-FZKQIMNGSA-N -1 1 361.394 2.102 20 0 FEADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1CCOc1cccc(S(C)(=O)=O)c1 ZINC000530173109 562401195 /nfs/dbraw/zinc/40/11/95/562401195.db2.gz CMDNPUGSWNTGSX-STQMWFEESA-N -1 1 355.456 2.043 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)s1 ZINC000530374950 562408895 /nfs/dbraw/zinc/40/88/95/562408895.db2.gz KNGKJQVLXOOVER-UHFFFAOYSA-N -1 1 358.416 2.110 20 0 FEADMM COc1ccc(NC(=O)CC2CCC(=O)CC2)cc1[N-]S(C)(=O)=O ZINC000530452888 562411668 /nfs/dbraw/zinc/41/16/68/562411668.db2.gz NPJCEIUTCSYGAK-UHFFFAOYSA-N -1 1 354.428 2.155 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2O)o1 ZINC000530896914 562427763 /nfs/dbraw/zinc/42/77/63/562427763.db2.gz ILRDRYBAPUKYMW-UHFFFAOYSA-N -1 1 356.375 2.453 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1 ZINC000530905213 562428116 /nfs/dbraw/zinc/42/81/16/562428116.db2.gz IYTCBAJHUWHFHA-UHFFFAOYSA-N -1 1 371.422 2.086 20 0 FEADMM COCCOc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cn1 ZINC000531091669 562434532 /nfs/dbraw/zinc/43/45/32/562434532.db2.gz AVMOLNOKQVWCAR-UHFFFAOYSA-N -1 1 374.441 2.138 20 0 FEADMM C[C@H](Oc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cn1)c1ccccc1 ZINC000531097567 562434575 /nfs/dbraw/zinc/43/45/75/562434575.db2.gz WPDCNMBGEKHJKP-LBPRGKRZSA-N -1 1 352.398 2.400 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)C[C@@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000531340183 562442652 /nfs/dbraw/zinc/44/26/52/562442652.db2.gz FWAYUTLMXLJXCI-AAEUAGOBSA-N -1 1 371.459 2.146 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc2ccccc2o1)N1CCc2ccccc2C1 ZINC000531487533 562447567 /nfs/dbraw/zinc/44/75/67/562447567.db2.gz YGKYLMNOTGKVLS-UHFFFAOYSA-N -1 1 370.430 2.296 20 0 FEADMM CC(C)c1nnc(C[N-]S(=O)(=O)c2cccc3nsnc32)s1 ZINC000531569691 562450248 /nfs/dbraw/zinc/45/02/48/562450248.db2.gz CUOSEBRXGVYXFR-UHFFFAOYSA-N -1 1 355.470 2.145 20 0 FEADMM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2)c1 ZINC000532495459 562479576 /nfs/dbraw/zinc/47/95/76/562479576.db2.gz FVNLDMXDCKLNIW-ZDUSSCGKSA-N -1 1 367.496 2.326 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000532847758 562490393 /nfs/dbraw/zinc/49/03/93/562490393.db2.gz TXRNXXGPPXDHHU-UHFFFAOYSA-N -1 1 370.793 2.142 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000532881888 562491504 /nfs/dbraw/zinc/49/15/04/562491504.db2.gz VTEJAJIPBRFPOH-ZDUSSCGKSA-N -1 1 354.834 2.022 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)sc1C ZINC000532932267 562492959 /nfs/dbraw/zinc/49/29/59/562492959.db2.gz QWIARFHDOHLSFA-AWEZNQCLSA-N -1 1 365.480 2.234 20 0 FEADMM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cnn1C ZINC000533170246 562500166 /nfs/dbraw/zinc/50/01/66/562500166.db2.gz YJJXRFKDGYXMGI-UHFFFAOYSA-N -1 1 363.317 2.246 20 0 FEADMM COc1cc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)ccc1O ZINC000533192242 562500975 /nfs/dbraw/zinc/50/09/75/562500975.db2.gz UEENCHAMOHWQDO-UHFFFAOYSA-N -1 1 363.439 2.176 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000533311827 562504943 /nfs/dbraw/zinc/50/49/43/562504943.db2.gz BSERKRIGRVJHRQ-UHFFFAOYSA-N -1 1 373.434 2.271 20 0 FEADMM CC1(C)CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)(C(N)=O)CC1 ZINC000533909584 562521102 /nfs/dbraw/zinc/52/11/02/562521102.db2.gz ZKBHHULCQCNVAR-UHFFFAOYSA-N -1 1 364.389 2.207 20 0 FEADMM Cc1cc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)ccc1C(=O)[O-] ZINC000534141049 562526402 /nfs/dbraw/zinc/52/64/02/562526402.db2.gz FHRVOKVZPOQAEE-LLVKDONJSA-N -1 1 366.377 2.327 20 0 FEADMM O=S(=O)(Cc1ccc(Oc2ccccc2)nn1)c1n[n-]c(C2CC2)n1 ZINC000535024546 562548308 /nfs/dbraw/zinc/54/83/08/562548308.db2.gz SHUPRMSOVSSUIJ-UHFFFAOYSA-N -1 1 357.395 2.238 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000535309795 562555580 /nfs/dbraw/zinc/55/55/80/562555580.db2.gz XFUJGFXPQIKWFR-CYBMUJFWSA-N -1 1 372.450 2.440 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2F)c(C)o1 ZINC000536459762 562576040 /nfs/dbraw/zinc/57/60/40/562576040.db2.gz RPLCGGVHWZDCBE-UHFFFAOYSA-N -1 1 371.342 2.101 20 0 FEADMM CCO[C@H](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C(C)C ZINC000536474323 562576493 /nfs/dbraw/zinc/57/64/93/562576493.db2.gz QESMBVPTRDYXLW-MRXNPFEDSA-N -1 1 370.471 2.223 20 0 FEADMM O=C(Cc1csc(Cc2ccccc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537123078 562585921 /nfs/dbraw/zinc/58/59/21/562585921.db2.gz BLCBDFPDKMZIOV-CQSZACIVSA-N -1 1 368.466 2.196 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cn1 ZINC000541825562 562620669 /nfs/dbraw/zinc/62/06/69/562620669.db2.gz KELQNLHPQLEFTO-NSHDSACASA-N -1 1 354.350 2.124 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)o1 ZINC000555955412 674383416 /nfs/dbraw/zinc/38/34/16/674383416.db2.gz YXRMROWMZNFJSP-JTQLQIEISA-N -1 1 371.436 2.458 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000602034588 567915961 /nfs/dbraw/zinc/91/59/61/567915961.db2.gz DHEXBMMTPCEWPZ-LLVKDONJSA-N -1 1 356.430 2.249 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000602328626 567968900 /nfs/dbraw/zinc/96/89/00/567968900.db2.gz ITGUUDHKYPHFRJ-CHWSQXEVSA-N -1 1 372.425 2.452 20 0 FEADMM O=C(Nc1c[nH]ccc1=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602759157 568032555 /nfs/dbraw/zinc/03/25/55/568032555.db2.gz GCESLQWKHKKDOZ-UHFFFAOYSA-N -1 1 360.167 2.231 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cccc(C)c2Cl)n1 ZINC000603156747 568068773 /nfs/dbraw/zinc/06/87/73/568068773.db2.gz UQGPQIASUGZNPY-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2cccc(C)c2Cl)n[n-]1 ZINC000603156747 568068771 /nfs/dbraw/zinc/06/87/71/568068771.db2.gz UQGPQIASUGZNPY-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2cccc(C)c2Cl)[n-]1 ZINC000603156747 568068772 /nfs/dbraw/zinc/06/87/72/568068772.db2.gz UQGPQIASUGZNPY-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(C)cc2Cl)n[n-]1 ZINC000603157984 568068899 /nfs/dbraw/zinc/06/88/99/568068899.db2.gz XTOYTOBWDCCYFO-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(C)cc2Cl)[n-]1 ZINC000603157984 568068900 /nfs/dbraw/zinc/06/89/00/568068900.db2.gz XTOYTOBWDCCYFO-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(C)cc2Cl)n1 ZINC000603157984 568068901 /nfs/dbraw/zinc/06/89/01/568068901.db2.gz XTOYTOBWDCCYFO-JTQLQIEISA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCSc2ccccc2F)n[n-]1 ZINC000603160399 568069247 /nfs/dbraw/zinc/06/92/47/568069247.db2.gz DNNNTZZTFDZBMS-SNVBAGLBSA-N -1 1 366.418 2.480 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCSc2ccccc2F)[n-]1 ZINC000603160399 568069248 /nfs/dbraw/zinc/06/92/48/568069248.db2.gz DNNNTZZTFDZBMS-SNVBAGLBSA-N -1 1 366.418 2.480 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCSc2ccccc2F)n1 ZINC000603160399 568069249 /nfs/dbraw/zinc/06/92/49/568069249.db2.gz DNNNTZZTFDZBMS-SNVBAGLBSA-N -1 1 366.418 2.480 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000603165901 568070066 /nfs/dbraw/zinc/07/00/66/568070066.db2.gz MOSXXKRYHVJMLP-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000603165901 568070067 /nfs/dbraw/zinc/07/00/67/568070067.db2.gz MOSXXKRYHVJMLP-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000603165901 568070068 /nfs/dbraw/zinc/07/00/68/568070068.db2.gz MOSXXKRYHVJMLP-SECBINFHSA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)n[n-]1 ZINC000603165898 568070124 /nfs/dbraw/zinc/07/01/24/568070124.db2.gz MIPCISYOTFEPOX-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)[n-]1 ZINC000603165898 568070125 /nfs/dbraw/zinc/07/01/25/568070125.db2.gz MIPCISYOTFEPOX-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000603165898 568070126 /nfs/dbraw/zinc/07/01/26/568070126.db2.gz MIPCISYOTFEPOX-QMMMGPOBSA-N -1 1 356.304 2.491 20 0 FEADMM CC[C@]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)(C(=O)OC)c1ccccc1 ZINC000603281008 568082374 /nfs/dbraw/zinc/08/23/74/568082374.db2.gz GJDRTVDAPNGGME-HUUCEWRRSA-N -1 1 361.410 2.430 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(F)c(C)c1 ZINC000603310713 568084692 /nfs/dbraw/zinc/08/46/92/568084692.db2.gz PXFCNQPARUJKFM-OCCSQVGLSA-N -1 1 365.373 2.313 20 0 FEADMM CC[C@@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)[C@H]1CCCO1 ZINC000626268685 568317708 /nfs/dbraw/zinc/31/77/08/568317708.db2.gz AGESHUXKAUYBSM-UKRRQHHQSA-N -1 1 360.410 2.233 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1F ZINC000604737505 568359045 /nfs/dbraw/zinc/35/90/45/568359045.db2.gz OCHWCOPSMQQANH-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000605118848 568573572 /nfs/dbraw/zinc/57/35/72/568573572.db2.gz PIPFSCFSJNTFBP-UHFFFAOYSA-N -1 1 358.379 2.044 20 0 FEADMM Fc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1NC[C@H]1CCCO1 ZINC000737651185 598857299 /nfs/dbraw/zinc/85/72/99/598857299.db2.gz JDQLZXAXCUAUNB-LLVKDONJSA-N -1 1 356.365 2.130 20 0 FEADMM Fc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1NC[C@H]1CCCO1 ZINC000737651185 598857301 /nfs/dbraw/zinc/85/73/01/598857301.db2.gz JDQLZXAXCUAUNB-LLVKDONJSA-N -1 1 356.365 2.130 20 0 FEADMM CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736521268 598867282 /nfs/dbraw/zinc/86/72/82/598867282.db2.gz DBTWNMWENYJZBO-UHFFFAOYSA-N -1 1 369.756 2.093 20 0 FEADMM CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736521268 598867283 /nfs/dbraw/zinc/86/72/83/598867283.db2.gz DBTWNMWENYJZBO-UHFFFAOYSA-N -1 1 369.756 2.093 20 0 FEADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736224794 598872199 /nfs/dbraw/zinc/87/21/99/598872199.db2.gz ATOZYMDIFZYTQP-UWVGGRQHSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736224794 598872200 /nfs/dbraw/zinc/87/22/00/598872200.db2.gz ATOZYMDIFZYTQP-UWVGGRQHSA-N -1 1 355.851 2.187 20 0 FEADMM O=C(Nn1cc(Br)cn1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000807136923 674405938 /nfs/dbraw/zinc/40/59/38/674405938.db2.gz WKQDBXLQMPFNNX-UHFFFAOYSA-N -1 1 369.125 2.149 20 0 FEADMM Cc1cc2oc(=O)cc(Cn3cnnc3-c3nn[n-]n3)c2cc1C(C)C ZINC000737283248 598877597 /nfs/dbraw/zinc/87/75/97/598877597.db2.gz CIMWVADKGAJZKT-UHFFFAOYSA-N -1 1 351.370 2.045 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000736472799 598945385 /nfs/dbraw/zinc/94/53/85/598945385.db2.gz SIWPHWGWEAFKIH-GJZGRUSLSA-N -1 1 358.446 2.318 20 0 FEADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000736472799 598945386 /nfs/dbraw/zinc/94/53/86/598945386.db2.gz SIWPHWGWEAFKIH-GJZGRUSLSA-N -1 1 358.446 2.318 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736747991 598946001 /nfs/dbraw/zinc/94/60/01/598946001.db2.gz VADLHXUZMZNVBL-YUMQZZPRSA-N -1 1 355.855 2.036 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736747991 598946003 /nfs/dbraw/zinc/94/60/03/598946003.db2.gz VADLHXUZMZNVBL-YUMQZZPRSA-N -1 1 355.855 2.036 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c(C)c1 ZINC000737106759 598948726 /nfs/dbraw/zinc/94/87/26/598948726.db2.gz XKKKFTYBJUIPCV-UHFFFAOYSA-N -1 1 359.411 2.293 20 0 FEADMM COc1ccccc1OCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737152022 598954845 /nfs/dbraw/zinc/95/48/45/598954845.db2.gz JYNQHZVINHPCEJ-UHFFFAOYSA-N -1 1 363.381 2.309 20 0 FEADMM COc1ccccc1OCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737152022 598954847 /nfs/dbraw/zinc/95/48/47/598954847.db2.gz JYNQHZVINHPCEJ-UHFFFAOYSA-N -1 1 363.381 2.309 20 0 FEADMM CN(Cc1nc2ccccc2[nH]1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736830851 598958866 /nfs/dbraw/zinc/95/88/66/598958866.db2.gz APLZODUOURUJFN-UHFFFAOYSA-N -1 1 357.381 2.323 20 0 FEADMM CN(Cc1nc2ccccc2[nH]1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736830851 598958868 /nfs/dbraw/zinc/95/88/68/598958868.db2.gz APLZODUOURUJFN-UHFFFAOYSA-N -1 1 357.381 2.323 20 0 FEADMM CC(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735752117 598959223 /nfs/dbraw/zinc/95/92/23/598959223.db2.gz XSXZKWUBQJRMBS-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM C[C@@H](COCC(F)(F)F)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736038751 598963061 /nfs/dbraw/zinc/96/30/61/598963061.db2.gz WWHRLIQZPRYYEH-QMMMGPOBSA-N -1 1 353.308 2.189 20 0 FEADMM C[C@@H](COCC(F)(F)F)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736038751 598963062 /nfs/dbraw/zinc/96/30/62/598963062.db2.gz WWHRLIQZPRYYEH-QMMMGPOBSA-N -1 1 353.308 2.189 20 0 FEADMM c1nc2ccccc2n1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738437743 598964448 /nfs/dbraw/zinc/96/44/48/598964448.db2.gz UKIMKMQUXABQKP-UHFFFAOYSA-N -1 1 357.381 2.272 20 0 FEADMM c1nc2ccccc2n1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738437743 598964449 /nfs/dbraw/zinc/96/44/49/598964449.db2.gz UKIMKMQUXABQKP-UHFFFAOYSA-N -1 1 357.381 2.272 20 0 FEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccsc1 ZINC000736141957 598976457 /nfs/dbraw/zinc/97/64/57/598976457.db2.gz LWRBTKXBYDCNRU-MRXNPFEDSA-N -1 1 353.411 2.191 20 0 FEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccsc1 ZINC000736141957 598976459 /nfs/dbraw/zinc/97/64/59/598976459.db2.gz LWRBTKXBYDCNRU-MRXNPFEDSA-N -1 1 353.411 2.191 20 0 FEADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736802940 598982004 /nfs/dbraw/zinc/98/20/04/598982004.db2.gz YZKQHSHYPHYAGZ-UHFFFAOYSA-N -1 1 358.789 2.066 20 0 FEADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736802940 598982006 /nfs/dbraw/zinc/98/20/06/598982006.db2.gz YZKQHSHYPHYAGZ-UHFFFAOYSA-N -1 1 358.789 2.066 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000738259203 598985730 /nfs/dbraw/zinc/98/57/30/598985730.db2.gz NNEMEYHNXHHLKU-OAHLLOKOSA-N -1 1 360.381 2.115 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000738259203 598985731 /nfs/dbraw/zinc/98/57/31/598985731.db2.gz NNEMEYHNXHHLKU-OAHLLOKOSA-N -1 1 360.381 2.115 20 0 FEADMM CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736751650 599003074 /nfs/dbraw/zinc/00/30/74/599003074.db2.gz OMPYFOPOIOOTIC-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736751650 599003076 /nfs/dbraw/zinc/00/30/76/599003076.db2.gz OMPYFOPOIOOTIC-UHFFFAOYSA-N -1 1 369.410 2.288 20 0 FEADMM Cn1ccnc1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737616148 599053633 /nfs/dbraw/zinc/05/36/33/599053633.db2.gz OFWSHPJDZQJRCJ-UHFFFAOYSA-N -1 1 365.422 2.259 20 0 FEADMM CCO[C@@H](C)c1noc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000821347658 599072124 /nfs/dbraw/zinc/07/21/24/599072124.db2.gz ZFYWAGQTODVPCW-QMMMGPOBSA-N -1 1 364.797 2.032 20 0 FEADMM CCO[C@@H](C)c1noc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000821347658 599072127 /nfs/dbraw/zinc/07/21/27/599072127.db2.gz ZFYWAGQTODVPCW-QMMMGPOBSA-N -1 1 364.797 2.032 20 0 FEADMM O=C(OCc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738233836 599142414 /nfs/dbraw/zinc/14/24/14/599142414.db2.gz VEPGODSCZZCUTN-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM O=C(OCc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738233836 599142415 /nfs/dbraw/zinc/14/24/15/599142415.db2.gz VEPGODSCZZCUTN-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM O=C(OCCO)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000738224761 599217713 /nfs/dbraw/zinc/21/77/13/599217713.db2.gz SBRJQGQJABFGGS-UHFFFAOYSA-N -1 1 360.757 2.462 20 0 FEADMM COc1ccc([C@@H](CNC(=O)N(C)CCC(=O)[O-])N2CCCCC2)cc1 ZINC000818583086 596988350 /nfs/dbraw/zinc/98/83/50/596988350.db2.gz XRHGVZISKGPULE-QGZVFWFLSA-N -1 1 363.458 2.338 20 0 FEADMM O=C([O-])C[C@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000676234149 597084233 /nfs/dbraw/zinc/08/42/33/597084233.db2.gz XUKCWRLQWLTOQG-CYBMUJFWSA-N -1 1 354.834 2.022 20 0 FEADMM C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000737716254 597494495 /nfs/dbraw/zinc/49/44/95/597494495.db2.gz GNSCYHPJSXGRHO-JTQLQIEISA-N -1 1 367.354 2.256 20 0 FEADMM CN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825965987 608395425 /nfs/dbraw/zinc/39/54/25/608395425.db2.gz JEFRZDKAAHAVPW-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825965987 608395426 /nfs/dbraw/zinc/39/54/26/608395426.db2.gz JEFRZDKAAHAVPW-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CCCOc1cccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821133636 607350709 /nfs/dbraw/zinc/35/07/09/607350709.db2.gz CEVATYNQJDOQJT-UHFFFAOYSA-N -1 1 352.398 2.023 20 0 FEADMM CCCOc1cccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821133636 607350711 /nfs/dbraw/zinc/35/07/11/607350711.db2.gz CEVATYNQJDOQJT-UHFFFAOYSA-N -1 1 352.398 2.023 20 0 FEADMM Cc1cc(C)n(-c2ccc(CCNc3nccnc3-c3nnn[n-]3)cc2)n1 ZINC000737256684 598344273 /nfs/dbraw/zinc/34/42/73/598344273.db2.gz PDZHHJHIONFDSW-UHFFFAOYSA-N -1 1 361.413 2.114 20 0 FEADMM Cc1cc(C)n(-c2ccc(CCNc3nccnc3-c3nn[n-]n3)cc2)n1 ZINC000737256684 598344275 /nfs/dbraw/zinc/34/42/75/598344275.db2.gz PDZHHJHIONFDSW-UHFFFAOYSA-N -1 1 361.413 2.114 20 0 FEADMM CC[C@@H](C)C(=O)Nc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000736320645 598345890 /nfs/dbraw/zinc/34/58/90/598345890.db2.gz VOXAPDZQCSAQTD-LLVKDONJSA-N -1 1 352.402 2.253 20 0 FEADMM CC[C@@H](C)C(=O)Nc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000736320645 598345892 /nfs/dbraw/zinc/34/58/92/598345892.db2.gz VOXAPDZQCSAQTD-LLVKDONJSA-N -1 1 352.402 2.253 20 0 FEADMM c1cnc(-c2nnn[n-]2)c(NCc2ccnc(OC3CCCCC3)c2)n1 ZINC000738413720 598352219 /nfs/dbraw/zinc/35/22/19/598352219.db2.gz WFOIQDUETAOQRE-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM c1cnc(-c2nn[n-]n2)c(NCc2ccnc(OC3CCCCC3)c2)n1 ZINC000738413720 598352221 /nfs/dbraw/zinc/35/22/21/598352221.db2.gz WFOIQDUETAOQRE-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C[C@@H]1CCCOC1 ZINC000737547419 598466758 /nfs/dbraw/zinc/46/67/58/598466758.db2.gz JASZZZQIOXEDHN-ZDUSSCGKSA-N -1 1 370.413 2.057 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C[C@@H]1CCCOC1 ZINC000737547419 598466761 /nfs/dbraw/zinc/46/67/61/598466761.db2.gz JASZZZQIOXEDHN-ZDUSSCGKSA-N -1 1 370.413 2.057 20 0 FEADMM CCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736455677 598578555 /nfs/dbraw/zinc/57/85/55/598578555.db2.gz CDMUTPUOPIAIFD-NSHDSACASA-N -1 1 363.853 2.048 20 0 FEADMM CCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736455677 598578556 /nfs/dbraw/zinc/57/85/56/598578556.db2.gz CDMUTPUOPIAIFD-NSHDSACASA-N -1 1 363.853 2.048 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736290155 598663470 /nfs/dbraw/zinc/66/34/70/598663470.db2.gz PAPTVKVRIVZNLO-JTQLQIEISA-N -1 1 359.386 2.318 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(Br)cc1Cl ZINC000738371950 598676670 /nfs/dbraw/zinc/67/66/70/598676670.db2.gz MAFCJMHJCDZBIP-UHFFFAOYSA-N -1 1 366.606 2.493 20 0 FEADMM CCOc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736651153 598687370 /nfs/dbraw/zinc/68/73/70/598687370.db2.gz MLZSBELDBRJGDF-UHFFFAOYSA-N -1 1 364.358 2.172 20 0 FEADMM C[C@H]1CCN(c2ccc3nccnc3n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000808079053 674440287 /nfs/dbraw/zinc/44/02/87/674440287.db2.gz MWWVHEJDIRCRRY-KWBADKCTSA-N -1 1 353.348 2.307 20 0 FEADMM C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736251452 598689798 /nfs/dbraw/zinc/68/97/98/598689798.db2.gz OJJFFLHDBYPPGI-GHMZBOCLSA-N -1 1 353.423 2.205 20 0 FEADMM CCC(CC)CN(CC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736337998 598689941 /nfs/dbraw/zinc/68/99/41/598689941.db2.gz NPXNJSNTRXKRGD-UHFFFAOYSA-N -1 1 355.439 2.453 20 0 FEADMM CC[C@H](CNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)OC ZINC000557548825 674453446 /nfs/dbraw/zinc/45/34/46/674453446.db2.gz ZXSYCDSKZFYBCS-GFCCVEGCSA-N -1 1 371.409 2.998 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC1CCOCC1 ZINC000737548004 598750906 /nfs/dbraw/zinc/75/09/06/598750906.db2.gz NGHCOIGMTIMAGX-UHFFFAOYSA-N -1 1 357.370 2.142 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC1CCOCC1 ZINC000737548004 598750907 /nfs/dbraw/zinc/75/09/07/598750907.db2.gz NGHCOIGMTIMAGX-UHFFFAOYSA-N -1 1 357.370 2.142 20 0 FEADMM O=C1OCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc21 ZINC000808123841 674442529 /nfs/dbraw/zinc/44/25/29/674442529.db2.gz IAVRQGIQOSZCGS-UHFFFAOYSA-N -1 1 361.375 2.319 20 0 FEADMM C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820684455 599327261 /nfs/dbraw/zinc/32/72/61/599327261.db2.gz PZQOSSUEBUSEHA-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820684455 599327262 /nfs/dbraw/zinc/32/72/62/599327262.db2.gz PZQOSSUEBUSEHA-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM CN(CC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821596462 599340522 /nfs/dbraw/zinc/34/05/22/599340522.db2.gz KVCSKNYJYQWAGA-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CC[C@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820981583 599345057 /nfs/dbraw/zinc/34/50/57/599345057.db2.gz UORGOGKPBTXUJF-NSHDSACASA-N -1 1 353.423 2.349 20 0 FEADMM CC[C@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820981583 599345059 /nfs/dbraw/zinc/34/50/59/599345059.db2.gz UORGOGKPBTXUJF-NSHDSACASA-N -1 1 353.423 2.349 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820769295 599366048 /nfs/dbraw/zinc/36/60/48/599366048.db2.gz RZQIRESVUARYIK-DTORHVGOSA-N -1 1 373.891 2.035 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820769295 599366051 /nfs/dbraw/zinc/36/60/51/599366051.db2.gz RZQIRESVUARYIK-DTORHVGOSA-N -1 1 373.891 2.035 20 0 FEADMM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nccn1C ZINC000821883689 599402672 /nfs/dbraw/zinc/40/26/72/599402672.db2.gz ZPHPKDHRCOADRK-INIZCTEOSA-N -1 1 365.397 2.081 20 0 FEADMM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nccn1C ZINC000821883689 599402673 /nfs/dbraw/zinc/40/26/73/599402673.db2.gz ZPHPKDHRCOADRK-INIZCTEOSA-N -1 1 365.397 2.081 20 0 FEADMM FC(F)(F)COc1ncccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737626766 599405275 /nfs/dbraw/zinc/40/52/75/599405275.db2.gz LATCEMRALOSUTH-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1ncccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737626766 599405278 /nfs/dbraw/zinc/40/52/78/599405278.db2.gz LATCEMRALOSUTH-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)c1ccc2c(c1)OCCO2 ZINC000735671085 599419799 /nfs/dbraw/zinc/41/97/99/599419799.db2.gz LYVFLHWPTJFVDW-UHFFFAOYSA-N -1 1 352.398 2.423 20 0 FEADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)c1ccc2c(c1)OCCO2 ZINC000735671085 599419802 /nfs/dbraw/zinc/41/98/02/599419802.db2.gz LYVFLHWPTJFVDW-UHFFFAOYSA-N -1 1 352.398 2.423 20 0 FEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000736746980 599425149 /nfs/dbraw/zinc/42/51/49/599425149.db2.gz DBRGQWMYSKAGAT-GFCCVEGCSA-N -1 1 359.434 2.097 20 0 FEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000736746980 599425150 /nfs/dbraw/zinc/42/51/50/599425150.db2.gz DBRGQWMYSKAGAT-GFCCVEGCSA-N -1 1 359.434 2.097 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738258710 599469454 /nfs/dbraw/zinc/46/94/54/599469454.db2.gz LUBBFIFVXHYYRL-CYBMUJFWSA-N -1 1 352.373 2.106 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738258710 599469455 /nfs/dbraw/zinc/46/94/55/599469455.db2.gz LUBBFIFVXHYYRL-CYBMUJFWSA-N -1 1 352.373 2.106 20 0 FEADMM CN(Cc1nnc2ccccn21)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821618018 599507976 /nfs/dbraw/zinc/50/79/76/599507976.db2.gz MHGBNYLZHJDZSR-UHFFFAOYSA-N -1 1 357.381 2.094 20 0 FEADMM CN(Cc1nnc2ccccn21)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821618018 599507979 /nfs/dbraw/zinc/50/79/79/599507979.db2.gz MHGBNYLZHJDZSR-UHFFFAOYSA-N -1 1 357.381 2.094 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCCOC1CCOCC1 ZINC000823798393 599583788 /nfs/dbraw/zinc/58/37/88/599583788.db2.gz XCICEKZJEZAANG-UHFFFAOYSA-N -1 1 354.414 2.413 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCCOC1CCOCC1 ZINC000823798393 599583790 /nfs/dbraw/zinc/58/37/90/599583790.db2.gz XCICEKZJEZAANG-UHFFFAOYSA-N -1 1 354.414 2.413 20 0 FEADMM CC(C)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000735827212 599592995 /nfs/dbraw/zinc/59/29/95/599592995.db2.gz JKTUBAJLPIKLEO-UHFFFAOYSA-N -1 1 363.365 2.162 20 0 FEADMM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCO1 ZINC000632161193 676979112 /nfs/dbraw/zinc/97/91/12/676979112.db2.gz STTWURRKJBRIDI-PSASIEDQSA-N -1 1 355.382 2.301 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000557863503 674472357 /nfs/dbraw/zinc/47/23/57/674472357.db2.gz JTKDGHIOSPGBNZ-UHFFFAOYSA-N -1 1 355.309 2.232 20 0 FEADMM CC(C)C1CCC2(CC1)NC(=O)N(CN1CCCC[C@H]1CC(=O)[O-])C2=O ZINC000736389849 599767926 /nfs/dbraw/zinc/76/79/26/599767926.db2.gz FSNWHXTXBINFRZ-HVEKOLDVSA-N -1 1 365.474 2.410 20 0 FEADMM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000740134696 599781912 /nfs/dbraw/zinc/78/19/12/599781912.db2.gz IZIKZCFVYBMEQG-CYBMUJFWSA-N -1 1 372.874 2.287 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000736952969 599782612 /nfs/dbraw/zinc/78/26/12/599782612.db2.gz YMUYSUAAAJLSGA-CQSZACIVSA-N -1 1 358.442 2.320 20 0 FEADMM COc1ccc([C@@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)N2CCCC2)cc1 ZINC000737958068 599807986 /nfs/dbraw/zinc/80/79/86/599807986.db2.gz WLFRIRAPQPZWQK-IAGOWNOFSA-N -1 1 363.458 2.241 20 0 FEADMM O=C([O-])c1cccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)c1 ZINC000739338376 599832949 /nfs/dbraw/zinc/83/29/49/599832949.db2.gz PVVNSFRFFUEZGZ-UHFFFAOYSA-N -1 1 355.379 2.296 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)ccc1NS(C)(=O)=O ZINC000560217010 599984430 /nfs/dbraw/zinc/98/44/30/599984430.db2.gz BOAJMDHFWHSYBC-UHFFFAOYSA-N -1 1 366.370 2.456 20 0 FEADMM O=C([O-])C1(NCC(=O)Nc2cccc(N3CCCC3=O)c2)CCCCC1 ZINC000739309091 600148806 /nfs/dbraw/zinc/14/88/06/600148806.db2.gz NBPRSNQETIUMJN-UHFFFAOYSA-N -1 1 359.426 2.129 20 0 FEADMM O=C([O-])c1ccc2c(cnn2CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000740204146 600281994 /nfs/dbraw/zinc/28/19/94/600281994.db2.gz TZEADPXSFDMUHG-OAHLLOKOSA-N -1 1 356.426 2.026 20 0 FEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736209852 600290545 /nfs/dbraw/zinc/29/05/45/600290545.db2.gz AOIBRXXUIIGYLX-NEPJUHHUSA-N -1 1 363.389 2.049 20 0 FEADMM O=C(CN1CCC2(C[C@@H]2C(=O)[O-])CC1)NCCCOC1CCCCC1 ZINC000739277942 600297154 /nfs/dbraw/zinc/29/71/54/600297154.db2.gz LGSVBVKEWRQUHS-MRXNPFEDSA-N -1 1 352.475 2.029 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)CC2 ZINC000739525174 600340539 /nfs/dbraw/zinc/34/05/39/600340539.db2.gz JAGBWXGRCJLYTL-CABCVRRESA-N -1 1 361.442 2.313 20 0 FEADMM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000736576127 600369755 /nfs/dbraw/zinc/36/97/55/600369755.db2.gz UYTNBZMHOGAXSR-WDSKDSINSA-N -1 1 354.275 2.362 20 0 FEADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000736466278 600394433 /nfs/dbraw/zinc/39/44/33/600394433.db2.gz USACUIXARFPQCR-UHFFFAOYSA-N -1 1 365.821 2.044 20 0 FEADMM O=C([O-])C1(NC(=O)CN(CCO)[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000739275770 600443564 /nfs/dbraw/zinc/44/35/64/600443564.db2.gz ZPCNPPNMZWDWSE-GOSISDBHSA-N -1 1 374.481 2.262 20 0 FEADMM O=C([O-])CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000263212749 600456135 /nfs/dbraw/zinc/45/61/35/600456135.db2.gz JARBUHBNZJBBLI-CQSZACIVSA-N -1 1 373.375 2.444 20 0 FEADMM Cc1cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc2[nH+]1 ZINC000738797928 600512988 /nfs/dbraw/zinc/51/29/88/600512988.db2.gz DCPWFTJZPXXGMU-UHFFFAOYSA-N -1 1 367.333 2.420 20 0 FEADMM C[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661858 600521598 /nfs/dbraw/zinc/52/15/98/600521598.db2.gz IVKGWPNIACPBAO-CHWSQXEVSA-N -1 1 370.405 2.469 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000736468430 600608914 /nfs/dbraw/zinc/60/89/14/600608914.db2.gz POFZRVREMWIHCV-FQEVSTJZSA-N -1 1 373.453 2.085 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2)CC1 ZINC000737529508 600661352 /nfs/dbraw/zinc/66/13/52/600661352.db2.gz YLPVXTNAFRQFON-IRXDYDNUSA-N -1 1 359.470 2.264 20 0 FEADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CCN1C ZINC000828167542 600760207 /nfs/dbraw/zinc/76/02/07/600760207.db2.gz HZQKHWXRESUWDA-CMPLNLGQSA-N -1 1 360.863 2.141 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC[C@H]2Cn2cncn2)c(Cl)c1 ZINC000833321652 600828052 /nfs/dbraw/zinc/82/80/52/600828052.db2.gz XWXMAYBOKGODLW-ZDUSSCGKSA-N -1 1 350.806 2.173 20 0 FEADMM O=C([O-])c1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000238171854 600833299 /nfs/dbraw/zinc/83/32/99/600833299.db2.gz UYOMANVUMZGXSC-UHFFFAOYSA-N -1 1 372.312 2.281 20 0 FEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cc(C(=O)[O-])ccc3C)[nH]c2c1 ZINC000832959490 600863812 /nfs/dbraw/zinc/86/38/12/600863812.db2.gz VNSIDXDMRGIGJH-UHFFFAOYSA-N -1 1 366.377 2.133 20 0 FEADMM CN(C(=O)CN1CCSC[C@H]1CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000830485969 601017059 /nfs/dbraw/zinc/01/70/59/601017059.db2.gz RXSKNWANSKFLMK-WBVHZDCISA-N -1 1 362.495 2.415 20 0 FEADMM O=C(CN1CC[C@@H](COCc2ccccc2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833104420 601024982 /nfs/dbraw/zinc/02/49/82/601024982.db2.gz BNKKJLMKJIWDDC-GOSISDBHSA-N -1 1 374.481 2.429 20 0 FEADMM CC1(C)CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1Cc1ccccc1 ZINC000828074839 601063661 /nfs/dbraw/zinc/06/36/61/601063661.db2.gz UGDNMIGGSUJXCB-UHFFFAOYSA-N -1 1 371.441 2.096 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000827695815 601080773 /nfs/dbraw/zinc/08/07/73/601080773.db2.gz XHMIZMAWKSDPEK-VIFPVBQESA-N -1 1 370.340 2.157 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000827356492 601086567 /nfs/dbraw/zinc/08/65/67/601086567.db2.gz SPWOQYMLFIZJBO-MZBZXASESA-N -1 1 371.231 2.063 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000630222268 601092535 /nfs/dbraw/zinc/09/25/35/601092535.db2.gz FUDPRQFHNAAATM-UPJWGTAASA-N -1 1 350.381 2.363 20 0 FEADMM COc1ccc(C2(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)CCC2)cc1 ZINC000832265535 601100608 /nfs/dbraw/zinc/10/06/08/601100608.db2.gz PFKKKWOKXJTWRF-OAHLLOKOSA-N -1 1 360.454 2.124 20 0 FEADMM COc1ccccc1C/C(C)=C\C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832607306 601103323 /nfs/dbraw/zinc/10/33/23/601103323.db2.gz BWYLRCIKTMARBT-KGAUPUERSA-N -1 1 360.454 2.191 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 ZINC000827368743 601103691 /nfs/dbraw/zinc/10/36/91/601103691.db2.gz IXVYSDNDXGNWNZ-MRXNPFEDSA-N -1 1 355.438 2.027 20 0 FEADMM CCOc1ccc2cc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)[nH]c2c1 ZINC000830094684 601106818 /nfs/dbraw/zinc/10/68/18/601106818.db2.gz XHTRGCCXSQPWBD-ZDUSSCGKSA-N -1 1 359.426 2.188 20 0 FEADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)c1C(=O)[O-] ZINC000832843567 601118430 /nfs/dbraw/zinc/11/84/30/601118430.db2.gz XTCLNWOZNVGZHL-UONOGXRCSA-N -1 1 358.442 2.199 20 0 FEADMM COc1ccc(Cl)cc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832374139 601123473 /nfs/dbraw/zinc/12/34/73/601123473.db2.gz VOWARTAEEQHKBX-LLVKDONJSA-N -1 1 355.822 2.361 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000827368553 601124098 /nfs/dbraw/zinc/12/40/98/601124098.db2.gz GEAGCVYCRJSHJV-NSHDSACASA-N -1 1 357.357 2.301 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000827369482 601131664 /nfs/dbraw/zinc/13/16/64/601131664.db2.gz ZQHOPMSZINRUQR-OAHLLOKOSA-N -1 1 356.426 2.490 20 0 FEADMM CCCNC(=O)C1(NCC(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC000829508619 601132991 /nfs/dbraw/zinc/13/29/91/601132991.db2.gz WIVGDCAMMISUQO-UHFFFAOYSA-N -1 1 361.442 2.142 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC000832637509 601138860 /nfs/dbraw/zinc/13/88/60/601138860.db2.gz RTQQWVXEEPNJNA-UHFFFAOYSA-N -1 1 370.409 2.451 20 0 FEADMM COC1CCN(CCNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000831536767 601208583 /nfs/dbraw/zinc/20/85/83/601208583.db2.gz LSVXPAYEVCPDDR-CYBMUJFWSA-N -1 1 366.483 2.092 20 0 FEADMM COc1cccc([C@H](CNC(=O)c2ccnc(C(=O)[O-])c2)N2CCCC2)c1 ZINC000832534152 601242295 /nfs/dbraw/zinc/24/22/95/601242295.db2.gz VBMPTOCMTFXUAQ-SFHVURJKSA-N -1 1 369.421 2.355 20 0 FEADMM CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C[C@@H]1C ZINC000829758922 601249491 /nfs/dbraw/zinc/24/94/91/601249491.db2.gz DWBRSDXTXIDRGF-HWHJAYSBSA-N -1 1 366.483 2.278 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000829141748 601332472 /nfs/dbraw/zinc/33/24/72/601332472.db2.gz PJFPDZKFJCOFLS-DOMZBBRYSA-N -1 1 350.419 2.085 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000829184934 601398642 /nfs/dbraw/zinc/39/86/42/601398642.db2.gz RDGWNKJHRJIYQO-AWEZNQCLSA-N -1 1 358.442 2.320 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NCC2(C(=O)[O-])CCCC2)ccc1F ZINC000830619622 601417098 /nfs/dbraw/zinc/41/70/98/601417098.db2.gz GSUGTGFBBSBMQB-UHFFFAOYSA-N -1 1 351.422 2.332 20 0 FEADMM CO[C@H](C)c1noc(CN2CCCN(Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000820697304 601424631 /nfs/dbraw/zinc/42/46/31/601424631.db2.gz ZIKAZWDIIGXJCO-CQSZACIVSA-N -1 1 374.441 2.183 20 0 FEADMM O=C([O-])COc1cccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000538476202 601441396 /nfs/dbraw/zinc/44/13/96/601441396.db2.gz XMDWYFOTARCBPC-UHFFFAOYSA-N -1 1 357.341 2.138 20 0 FEADMM CCC1CCC(NCC(=O)N2CCO[C@H]3CCCC[C@@H]32)(C(=O)[O-])CC1 ZINC000829101862 601495083 /nfs/dbraw/zinc/49/50/83/601495083.db2.gz ZCWVPJJKPVTYBA-IOSXPMGOSA-N -1 1 352.475 2.170 20 0 FEADMM CCC1CCC(NCC(=O)NCc2ccc(COC)cc2)(C(=O)[O-])CC1 ZINC000829101303 601495768 /nfs/dbraw/zinc/49/57/68/601495768.db2.gz NTMXDIREJODIAQ-UHFFFAOYSA-N -1 1 362.470 2.462 20 0 FEADMM C[C@@H]1CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C[C@H]1C(=O)[O-] ZINC000828433390 601501281 /nfs/dbraw/zinc/50/12/81/601501281.db2.gz UHTAONCTQQVFEN-NFAWXSAZSA-N -1 1 371.393 2.203 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)C[C@H]1C(=O)[O-] ZINC000828354145 601548775 /nfs/dbraw/zinc/54/87/75/601548775.db2.gz GITDTGGGLKDFGJ-DFBGVHRSSA-N -1 1 353.850 2.305 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000828354144 601548826 /nfs/dbraw/zinc/54/88/26/601548826.db2.gz GITDTGGGLKDFGJ-BYCMXARLSA-N -1 1 353.850 2.305 20 0 FEADMM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000833100700 601556286 /nfs/dbraw/zinc/55/62/86/601556286.db2.gz YVCRYCAPSZKUKT-AWEZNQCLSA-N -1 1 359.195 2.276 20 0 FEADMM CCCCO[C@@H]1C[C@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC000582671621 601564317 /nfs/dbraw/zinc/56/43/17/601564317.db2.gz RTSHHYUNMBFBDZ-JKSUJKDBSA-N -1 1 354.491 2.225 20 0 FEADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C[C@H]1C(=O)[O-] ZINC000828349493 601648122 /nfs/dbraw/zinc/64/81/22/601648122.db2.gz PHTQAZAEJCNQBT-CXAGYDPISA-N -1 1 363.433 2.152 20 0 FEADMM Cc1cc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)[nH]n1 ZINC000832882685 601671529 /nfs/dbraw/zinc/67/15/29/601671529.db2.gz AJMQLKKWRWIDRY-CYBMUJFWSA-N -1 1 366.215 2.355 20 0 FEADMM NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1Cl ZINC000833085799 601858862 /nfs/dbraw/zinc/85/88/62/601858862.db2.gz AONVRKUMPJHMPU-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1CC(=O)NCc1ccccc1F ZINC000740369530 601927234 /nfs/dbraw/zinc/92/72/34/601927234.db2.gz NHFMWHUXXVDBQS-IAGOWNOFSA-N -1 1 363.433 2.439 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000828020013 601933847 /nfs/dbraw/zinc/93/38/47/601933847.db2.gz GXMUKGQDAQTSDK-IBGZPJMESA-N -1 1 371.437 2.081 20 0 FEADMM C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738626306 601958934 /nfs/dbraw/zinc/95/89/34/601958934.db2.gz CEAWSSOYNWTAIX-GHMZBOCLSA-N -1 1 370.247 2.366 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824762596 607536768 /nfs/dbraw/zinc/53/67/68/607536768.db2.gz HQGSUKORNURRLZ-VIFPVBQESA-N -1 1 365.365 2.216 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824762596 607536769 /nfs/dbraw/zinc/53/67/69/607536769.db2.gz HQGSUKORNURRLZ-VIFPVBQESA-N -1 1 365.365 2.216 20 0 FEADMM CCNS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000829809173 601978586 /nfs/dbraw/zinc/97/85/86/601978586.db2.gz RRJFBPZZXCUALJ-INIZCTEOSA-N -1 1 366.414 2.039 20 0 FEADMM Cc1cccc(C)c1-n1nnnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826296917 607539569 /nfs/dbraw/zinc/53/95/69/607539569.db2.gz OJMLSZUONPPRTH-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM Cc1cccc(C)c1-n1nnnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826296917 607539570 /nfs/dbraw/zinc/53/95/70/607539570.db2.gz OJMLSZUONPPRTH-UHFFFAOYSA-N -1 1 365.426 2.147 20 0 FEADMM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCOC2(C1)CCCCCC2 ZINC000833196263 602057231 /nfs/dbraw/zinc/05/72/31/602057231.db2.gz PWQKQICNWKYQKA-VBKFSLOCSA-N -1 1 368.499 2.303 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739608619 602105709 /nfs/dbraw/zinc/10/57/09/602105709.db2.gz PTPDGORXLRMKME-CZUORRHYSA-N -1 1 366.437 2.118 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1 ZINC000222061949 602157157 /nfs/dbraw/zinc/15/71/57/602157157.db2.gz QUUJEAPVIBBRIM-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000829873009 602228449 /nfs/dbraw/zinc/22/84/49/602228449.db2.gz HSRZJSWHALQSPF-GFCCVEGCSA-N -1 1 356.444 2.261 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000831369972 602239888 /nfs/dbraw/zinc/23/98/88/602239888.db2.gz MOLUVGUAKYKBJY-GFCCVEGCSA-N -1 1 360.410 2.374 20 0 FEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1CCC(C)C ZINC000826235862 607555534 /nfs/dbraw/zinc/55/55/34/607555534.db2.gz SVFXJIKFBJZLPW-UHFFFAOYSA-N -1 1 355.402 2.170 20 0 FEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1CCC(C)C ZINC000826235862 607555536 /nfs/dbraw/zinc/55/55/36/607555536.db2.gz SVFXJIKFBJZLPW-UHFFFAOYSA-N -1 1 355.402 2.170 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCc2sccc2C1 ZINC000739011659 602263537 /nfs/dbraw/zinc/26/35/37/602263537.db2.gz QPAPXRTYMDFDCL-GXTWGEPZSA-N -1 1 351.472 2.143 20 0 FEADMM COc1ccc(OC)c([C@H](O)CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c1 ZINC000739931363 602264246 /nfs/dbraw/zinc/26/42/46/602264246.db2.gz PULTYJGVGKGJCF-DAXOMENPSA-N -1 1 352.431 2.248 20 0 FEADMM COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)N2CCCC2)c1 ZINC000738090705 602343303 /nfs/dbraw/zinc/34/33/03/602343303.db2.gz HYYAMGVMGQBRBG-SJORKVTESA-N -1 1 363.458 2.241 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC2)cc1 ZINC000738005020 602370221 /nfs/dbraw/zinc/37/02/21/602370221.db2.gz ZUKKNZWAVJDLDD-KRWDZBQOSA-N -1 1 363.458 2.022 20 0 FEADMM C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738631957 602386791 /nfs/dbraw/zinc/38/67/91/602386791.db2.gz XQJIGCMKSJURCR-AWEZNQCLSA-N -1 1 365.449 2.195 20 0 FEADMM CC(C)N(CCCNC(=O)NCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000738847429 602415217 /nfs/dbraw/zinc/41/52/17/602415217.db2.gz ZYBVOYNIADHEKJ-UHFFFAOYSA-N -1 1 362.474 2.122 20 0 FEADMM CCOc1cccc(CNC(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000739503519 602448599 /nfs/dbraw/zinc/44/85/99/602448599.db2.gz IMBDWTPERDLTJQ-CQSZACIVSA-N -1 1 363.458 2.070 20 0 FEADMM CN1CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc21 ZINC000826023132 607569094 /nfs/dbraw/zinc/56/90/94/607569094.db2.gz XPHOZMHINNJSJG-ZDUSSCGKSA-N -1 1 350.382 2.135 20 0 FEADMM CCN(CCNC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000739438856 602496084 /nfs/dbraw/zinc/49/60/84/602496084.db2.gz FJYHZDANEZAIRV-UHFFFAOYSA-N -1 1 355.192 2.055 20 0 FEADMM CCCN(Cn1ncc2cc(C(=O)OC)ccc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739363956 602526042 /nfs/dbraw/zinc/52/60/42/602526042.db2.gz OEADXONQRCDGCE-OAHLLOKOSA-N -1 1 360.414 2.245 20 0 FEADMM CCCN(CC(=O)N(CC(F)(F)F)C(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351444 602547248 /nfs/dbraw/zinc/54/72/48/602547248.db2.gz QEJYJOXCVDCMEY-LBPRGKRZSA-N -1 1 353.385 2.250 20 0 FEADMM Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3NC(=O)[O-])ccc21 ZINC000740280709 602653530 /nfs/dbraw/zinc/65/35/30/602653530.db2.gz YJHCJXONISJIEV-UHFFFAOYSA-N -1 1 363.351 2.022 20 0 FEADMM O=S(=O)(Oc1c(F)cccc1F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493390 607579666 /nfs/dbraw/zinc/57/96/66/607579666.db2.gz IGBJCBHUBDELLX-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493390 607579668 /nfs/dbraw/zinc/57/96/68/607579668.db2.gz IGBJCBHUBDELLX-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000740426188 602690752 /nfs/dbraw/zinc/69/07/52/602690752.db2.gz JRODHHFLSUZOAN-HUUCEWRRSA-N -1 1 364.446 2.106 20 0 FEADMM CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825986260 607577512 /nfs/dbraw/zinc/57/75/12/607577512.db2.gz WGGLMZILNVHVFN-UHFFFAOYSA-N -1 1 369.859 2.402 20 0 FEADMM O=C([O-])NCc1nc(C(=O)N2CCCN(Cc3ccccc3)CC2)cs1 ZINC000740681476 602706583 /nfs/dbraw/zinc/70/65/83/602706583.db2.gz BWKJXTKDHRXTJN-UHFFFAOYSA-N -1 1 374.466 2.259 20 0 FEADMM O=C([O-])N1CCCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000740522629 602739200 /nfs/dbraw/zinc/73/92/00/602739200.db2.gz RBHRQFPQPDSVSG-NSHDSACASA-N -1 1 363.241 2.419 20 0 FEADMM O=S(=O)(NCc1ccc(Cl)s1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492090 607584537 /nfs/dbraw/zinc/58/45/37/607584537.db2.gz RYOOTEVTWIRADX-UHFFFAOYSA-N -1 1 373.822 2.199 20 0 FEADMM Cc1ccc(CN(C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)C2CC2)cc1 ZINC000740122656 602787177 /nfs/dbraw/zinc/78/71/77/602787177.db2.gz RYLOWGCDDZPVTQ-QAPCUYQASA-N -1 1 359.470 2.464 20 0 FEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)c1ccc(F)cc1 ZINC000738950769 602787356 /nfs/dbraw/zinc/78/73/56/602787356.db2.gz GMHVVADRRYETQK-LMOYCYGVSA-N -1 1 351.422 2.369 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(C1CC1)C1CCCC1 ZINC000826495203 607586480 /nfs/dbraw/zinc/58/64/80/607586480.db2.gz HEZLTWLNVZUCAY-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC000826495203 607586481 /nfs/dbraw/zinc/58/64/81/607586481.db2.gz HEZLTWLNVZUCAY-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NCC2CCN(C(=O)[O-])CC2)ccc1F ZINC000739610319 602808218 /nfs/dbraw/zinc/80/82/18/602808218.db2.gz RVQPQPPNZHXFDY-UHFFFAOYSA-N -1 1 366.437 2.077 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739136533 602815988 /nfs/dbraw/zinc/81/59/88/602815988.db2.gz OBCFFPJTZIBJPV-KWCYVHTRSA-N -1 1 354.476 2.038 20 0 FEADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCCCN(C)C1=O ZINC000634144354 677071755 /nfs/dbraw/zinc/07/17/55/677071755.db2.gz QBRJIIZASDDNFM-LBPRGKRZSA-N -1 1 355.232 2.238 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C[C@H](C)N1C(=O)[O-] ZINC000739133988 602882602 /nfs/dbraw/zinc/88/26/02/602882602.db2.gz JRLHAHZOMCRTNN-ZNMIVQPWSA-N -1 1 364.446 2.199 20 0 FEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826282888 607596332 /nfs/dbraw/zinc/59/63/32/607596332.db2.gz FESRDCZHHUYOHB-SECBINFHSA-N -1 1 367.431 2.415 20 0 FEADMM CC(C)COC[C@H](O)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558758816 674514628 /nfs/dbraw/zinc/51/46/28/674514628.db2.gz XVLRMORDKVCYJF-GFCCVEGCSA-N -1 1 352.818 2.357 20 0 FEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000740476080 603033953 /nfs/dbraw/zinc/03/39/53/603033953.db2.gz POYCHWPQWPEPEQ-MRXNPFEDSA-N -1 1 363.377 2.311 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000558775299 674515412 /nfs/dbraw/zinc/51/54/12/674515412.db2.gz QRPDXMAQIRVZIC-RYUDHWBXSA-N -1 1 359.444 2.328 20 0 FEADMM CN(C)[C@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1cccs1 ZINC000739601820 603107691 /nfs/dbraw/zinc/10/76/91/603107691.db2.gz IFWAMMZYZQHKLU-OAHLLOKOSA-N -1 1 373.478 2.272 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)nc(Cl)c1 ZINC000826467258 607608516 /nfs/dbraw/zinc/60/85/16/607608516.db2.gz NXUYUPVGYYRBEK-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)nc(Cl)c1 ZINC000826467258 607608518 /nfs/dbraw/zinc/60/85/18/607608518.db2.gz NXUYUPVGYYRBEK-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000740530191 603183388 /nfs/dbraw/zinc/18/33/88/603183388.db2.gz VHNMCQLUSITIQS-UHFFFAOYSA-N -1 1 372.406 2.400 20 0 FEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824919510 607614900 /nfs/dbraw/zinc/61/49/00/607614900.db2.gz VSWZFOURPHCNDC-NRUUGDAUSA-N -1 1 353.423 2.109 20 0 FEADMM CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000737085654 603296586 /nfs/dbraw/zinc/29/65/86/603296586.db2.gz PGLGASAJNSFCMR-ZIAGYGMSSA-N -1 1 352.435 2.104 20 0 FEADMM COCCN1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739836052 603305167 /nfs/dbraw/zinc/30/51/67/603305167.db2.gz WDDHBJHRJAFMSB-LBPRGKRZSA-N -1 1 355.822 2.271 20 0 FEADMM CCN(CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)C(=O)[O-] ZINC000739392174 603375616 /nfs/dbraw/zinc/37/56/16/603375616.db2.gz LJHXDWCUIAGIMQ-UHFFFAOYSA-N -1 1 354.838 2.030 20 0 FEADMM Cn1cncc1[C@H]1CCCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831045917 603404091 /nfs/dbraw/zinc/40/40/91/603404091.db2.gz DWDLKHBJLQFXIG-SCTDSRPQSA-N -1 1 372.469 2.187 20 0 FEADMM C[C@@H](C(=O)N1CCC(c2nc[nH]n2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823662774 603560764 /nfs/dbraw/zinc/56/07/64/603560764.db2.gz PTTMGBNNOLRHFO-IUODEOHRSA-N -1 1 357.414 2.156 20 0 FEADMM O=C([O-])N[C@H](C(=O)N1CCC(c2nc[nH]n2)CC1)c1cccc(Cl)c1 ZINC000832093382 603566178 /nfs/dbraw/zinc/56/61/78/603566178.db2.gz NMQQWNBIVWQKLV-ZDUSSCGKSA-N -1 1 363.805 2.173 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)C(C)(C)CNC(=O)[O-])N1CCCC1 ZINC000829591920 603616209 /nfs/dbraw/zinc/61/62/09/603616209.db2.gz ISIXMRVTKJSYHQ-HNNXBMFYSA-N -1 1 363.458 2.242 20 0 FEADMM Cc1nnc(SCCC(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])[nH]1 ZINC000830894382 603710442 /nfs/dbraw/zinc/71/04/42/603710442.db2.gz UADBLNNFZWMUCS-CHWSQXEVSA-N -1 1 367.475 2.119 20 0 FEADMM C[C@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]1CNC(=O)[O-] ZINC000825925779 603712225 /nfs/dbraw/zinc/71/22/25/603712225.db2.gz RFEIXXDDNIACAA-FZMZJTMJSA-N -1 1 364.833 2.216 20 0 FEADMM O=S(=O)(N[C@H]1C[C@H]1C1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488638 607648123 /nfs/dbraw/zinc/64/81/23/607648123.db2.gz VGICKMAJRWEDAN-AAEUAGOBSA-N -1 1 365.434 2.253 20 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/nfs/dbraw/zinc/65/86/68/607658668.db2.gz FVNBVIMJTGCRFQ-UHFFFAOYSA-N -1 1 369.756 2.141 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000827229120 603942497 /nfs/dbraw/zinc/94/24/97/603942497.db2.gz UVVDAKRDADBPCT-HUUCEWRRSA-N -1 1 360.458 2.203 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N(C)C2CCN(C(=O)[O-])CC2)ccc1F ZINC000828043074 604039261 /nfs/dbraw/zinc/03/92/61/604039261.db2.gz ZUZCYSCSPCOZFI-UHFFFAOYSA-N -1 1 366.437 2.171 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC[C@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827993158 604046826 /nfs/dbraw/zinc/04/68/26/604046826.db2.gz ALERBRIDUQKKGL-IUODEOHRSA-N -1 1 368.865 2.242 20 0 FEADMM CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000826669571 604104096 /nfs/dbraw/zinc/10/40/96/604104096.db2.gz XVIQTAQGUDXVEL-HOTGVXAUSA-N -1 1 369.506 2.305 20 0 FEADMM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825783712 604106499 /nfs/dbraw/zinc/10/64/99/604106499.db2.gz MTZSQIOTWCGNAC-OWCLPIDISA-N -1 1 369.506 2.018 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/nfs/dbraw/zinc/88/86/85/605888685.db2.gz UDUHCFGCGQPJLM-AWEZNQCLSA-N -1 1 352.354 2.117 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000833833201 605890145 /nfs/dbraw/zinc/89/01/45/605890145.db2.gz XAGBHGLIHAFYDV-XUJVJEKNSA-N -1 1 351.834 2.423 20 0 FEADMM O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000834257111 605991536 /nfs/dbraw/zinc/99/15/36/605991536.db2.gz SVGLFMXGKCLSEW-CYBMUJFWSA-N -1 1 366.381 2.463 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1cccc(Cl)c1 ZINC000823510901 606106574 /nfs/dbraw/zinc/10/65/74/606106574.db2.gz BXXNEIAASSPRSO-ZDUSSCGKSA-N -1 1 355.789 2.133 20 0 FEADMM O=C1[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1cccc(Cl)c1 ZINC000823510901 606106577 /nfs/dbraw/zinc/10/65/77/606106577.db2.gz BXXNEIAASSPRSO-ZDUSSCGKSA-N -1 1 355.789 2.133 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1)C(F)(F)F ZINC000810072535 674529704 /nfs/dbraw/zinc/52/97/04/674529704.db2.gz USRSAPLGNSSDBA-JTQLQIEISA-N -1 1 358.320 2.220 20 0 FEADMM O=C(OCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823430897 606138199 /nfs/dbraw/zinc/13/81/99/606138199.db2.gz LFENZUDPSHEXPM-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM O=C(OCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823430897 606138200 /nfs/dbraw/zinc/13/82/00/606138200.db2.gz LFENZUDPSHEXPM-UHFFFAOYSA-N -1 1 352.379 2.471 20 0 FEADMM CN1CCOc2ccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)cc21 ZINC000821629914 606140465 /nfs/dbraw/zinc/14/04/65/606140465.db2.gz GJADXYUKYZEFPO-UHFFFAOYSA-N -1 1 360.381 2.382 20 0 FEADMM CN1CCOc2ccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)cc21 ZINC000821629914 606140467 /nfs/dbraw/zinc/14/04/67/606140467.db2.gz GJADXYUKYZEFPO-UHFFFAOYSA-N -1 1 360.381 2.382 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)n1 ZINC000822604252 606167163 /nfs/dbraw/zinc/16/71/63/606167163.db2.gz ACMYPSCXFSNGRD-ZDUSSCGKSA-N -1 1 352.402 2.215 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)n1 ZINC000822604252 606167164 /nfs/dbraw/zinc/16/71/64/606167164.db2.gz ACMYPSCXFSNGRD-ZDUSSCGKSA-N -1 1 352.402 2.215 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820379574 606171633 /nfs/dbraw/zinc/17/16/33/606171633.db2.gz DKSFLQWRYYLVRF-ZCFIWIBFSA-N -1 1 352.811 2.198 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820379574 606171635 /nfs/dbraw/zinc/17/16/35/606171635.db2.gz DKSFLQWRYYLVRF-ZCFIWIBFSA-N -1 1 352.811 2.198 20 0 FEADMM Cc1ccc2nc([N-]S(=O)(=O)c3cnn(C4CCOCC4)c3)[nH]c2c1 ZINC000559205197 674532773 /nfs/dbraw/zinc/53/27/73/674532773.db2.gz UDSVRUKBCYSNRW-UHFFFAOYSA-N -1 1 361.427 2.220 20 0 FEADMM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821864140 606292895 /nfs/dbraw/zinc/29/28/95/606292895.db2.gz UFNOVVTYELGRGK-KGLIPLIRSA-N -1 1 351.366 2.323 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn(Cc2ccccc2)c1 ZINC000823294517 606293411 /nfs/dbraw/zinc/29/34/11/606293411.db2.gz FJYMGAFHAHILAA-UHFFFAOYSA-N -1 1 361.365 2.069 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc(-c2ccccn2)s1 ZINC000823294602 606293482 /nfs/dbraw/zinc/29/34/82/606293482.db2.gz JGLHBCJVLISNOK-UHFFFAOYSA-N -1 1 365.378 2.343 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2cnn(C(F)F)c2)C1)C(F)(F)F ZINC000810201538 674536872 /nfs/dbraw/zinc/53/68/72/674536872.db2.gz OWICSFRVFDPKPW-QMMMGPOBSA-N -1 1 369.294 2.201 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)NC(=S)N1Cc1ccccc1 ZINC000823504138 606394616 /nfs/dbraw/zinc/39/46/16/606394616.db2.gz MRZDVKZPWLPNFI-WQLSENKSSA-N -1 1 368.447 2.186 20 0 FEADMM COCC(=O)Nc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821680808 606449268 /nfs/dbraw/zinc/44/92/68/606449268.db2.gz VFQIRRICFYPBSQ-UHFFFAOYSA-N -1 1 359.777 2.244 20 0 FEADMM COCC(=O)Nc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821680808 606449269 /nfs/dbraw/zinc/44/92/69/606449269.db2.gz VFQIRRICFYPBSQ-UHFFFAOYSA-N -1 1 359.777 2.244 20 0 FEADMM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820814196 606537800 /nfs/dbraw/zinc/53/78/00/606537800.db2.gz SRUAUYGVECEWRE-LLVKDONJSA-N -1 1 354.439 2.109 20 0 FEADMM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820814196 606537801 /nfs/dbraw/zinc/53/78/01/606537801.db2.gz SRUAUYGVECEWRE-LLVKDONJSA-N -1 1 354.439 2.109 20 0 FEADMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821598343 606543997 /nfs/dbraw/zinc/54/39/97/606543997.db2.gz ZFJHOHVZUPGDHB-ZDUSSCGKSA-N -1 1 355.423 2.314 20 0 FEADMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821598343 606543998 /nfs/dbraw/zinc/54/39/98/606543998.db2.gz ZFJHOHVZUPGDHB-ZDUSSCGKSA-N -1 1 355.423 2.314 20 0 FEADMM COc1cccc2c1OCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821877550 606544444 /nfs/dbraw/zinc/54/44/44/606544444.db2.gz LPTAARDZBKGORS-SNVBAGLBSA-N -1 1 357.395 2.190 20 0 FEADMM COc1cccc2c1OCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821877550 606544446 /nfs/dbraw/zinc/54/44/46/606544446.db2.gz LPTAARDZBKGORS-SNVBAGLBSA-N -1 1 357.395 2.190 20 0 FEADMM O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823224132 606544561 /nfs/dbraw/zinc/54/45/61/606544561.db2.gz QFSLVUAPHQDXFU-UHFFFAOYSA-N -1 1 365.422 2.086 20 0 FEADMM O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823224132 606544563 /nfs/dbraw/zinc/54/45/63/606544563.db2.gz QFSLVUAPHQDXFU-UHFFFAOYSA-N -1 1 365.422 2.086 20 0 FEADMM CN1C(=O)CCc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000821620456 606551675 /nfs/dbraw/zinc/55/16/75/606551675.db2.gz KCIYOZDAXNQAJE-UHFFFAOYSA-N -1 1 354.395 2.090 20 0 FEADMM CN1C(=O)CCc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000821620456 606551677 /nfs/dbraw/zinc/55/16/77/606551677.db2.gz KCIYOZDAXNQAJE-UHFFFAOYSA-N -1 1 354.395 2.090 20 0 FEADMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150459 606564482 /nfs/dbraw/zinc/56/44/82/606564482.db2.gz PPBFFJTVTTUVJS-LBPRGKRZSA-N -1 1 354.439 2.327 20 0 FEADMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150459 606564483 /nfs/dbraw/zinc/56/44/83/606564483.db2.gz PPBFFJTVTTUVJS-LBPRGKRZSA-N -1 1 354.439 2.327 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2n1C ZINC000820396344 606566312 /nfs/dbraw/zinc/56/63/12/606566312.db2.gz FOHCZFBBPWHOQH-SECBINFHSA-N -1 1 353.411 2.306 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2n1C ZINC000820396344 606566313 /nfs/dbraw/zinc/56/63/13/606566313.db2.gz FOHCZFBBPWHOQH-SECBINFHSA-N -1 1 353.411 2.306 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821000749 606595304 /nfs/dbraw/zinc/59/53/04/606595304.db2.gz IUVHATBXEKZIBM-LLVKDONJSA-N -1 1 358.431 2.203 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821000749 606595306 /nfs/dbraw/zinc/59/53/06/606595306.db2.gz IUVHATBXEKZIBM-LLVKDONJSA-N -1 1 358.431 2.203 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCCC[C@H]2c2ccco2)n1 ZINC000822609599 606597357 /nfs/dbraw/zinc/59/73/57/606597357.db2.gz RPAMJAUNRHGKRG-LBPRGKRZSA-N -1 1 356.390 2.342 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCCC[C@H]2c2ccco2)n1 ZINC000822609599 606597359 /nfs/dbraw/zinc/59/73/59/606597359.db2.gz RPAMJAUNRHGKRG-LBPRGKRZSA-N -1 1 356.390 2.342 20 0 FEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000821309204 606598393 /nfs/dbraw/zinc/59/83/93/606598393.db2.gz KBXIGFVVNBWKFU-UHFFFAOYSA-N -1 1 374.426 2.108 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000823436272 606649921 /nfs/dbraw/zinc/64/99/21/606649921.db2.gz OGJQIFDGCYXZPX-GFCCVEGCSA-N -1 1 371.784 2.210 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000823436272 606649922 /nfs/dbraw/zinc/64/99/22/606649922.db2.gz OGJQIFDGCYXZPX-GFCCVEGCSA-N -1 1 371.784 2.210 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000823436448 606653185 /nfs/dbraw/zinc/65/31/85/606653185.db2.gz VVHPLHAAFIUZAM-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000823436448 606653186 /nfs/dbraw/zinc/65/31/86/606653186.db2.gz VVHPLHAAFIUZAM-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820518446 606654203 /nfs/dbraw/zinc/65/42/03/606654203.db2.gz DTFKYPFSYJEXGL-JTQLQIEISA-N -1 1 367.394 2.427 20 0 FEADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OCC2CC2)c1 ZINC000822238503 606687497 /nfs/dbraw/zinc/68/74/97/606687497.db2.gz KFJMKURMOVNCDW-UHFFFAOYSA-N -1 1 364.409 2.289 20 0 FEADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OCC2CC2)c1 ZINC000822238503 606687498 /nfs/dbraw/zinc/68/74/98/606687498.db2.gz KFJMKURMOVNCDW-UHFFFAOYSA-N -1 1 364.409 2.289 20 0 FEADMM Clc1nsc(NCc2cn(-c3ccccc3)nn2)c1-c1nnn[n-]1 ZINC000822590624 606725376 /nfs/dbraw/zinc/72/53/76/606725376.db2.gz KVFSGNFUAZCIBC-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM Clc1nsc(NCc2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000822590624 606725378 /nfs/dbraw/zinc/72/53/78/606725378.db2.gz KVFSGNFUAZCIBC-UHFFFAOYSA-N -1 1 359.806 2.169 20 0 FEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000820055249 606746467 /nfs/dbraw/zinc/74/64/67/606746467.db2.gz GXAUDWSIGOVHQZ-JTQLQIEISA-N -1 1 365.459 2.414 20 0 FEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000820055249 606746469 /nfs/dbraw/zinc/74/64/69/606746469.db2.gz GXAUDWSIGOVHQZ-JTQLQIEISA-N -1 1 365.459 2.414 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1noc(-c2ccccc2)n1 ZINC000820397542 606747203 /nfs/dbraw/zinc/74/72/03/606747203.db2.gz QECNELSFAXBUKW-VIFPVBQESA-N -1 1 367.394 2.469 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1noc(-c2ccccc2)n1 ZINC000820397542 606747205 /nfs/dbraw/zinc/74/72/05/606747205.db2.gz QECNELSFAXBUKW-VIFPVBQESA-N -1 1 367.394 2.469 20 0 FEADMM FC(F)(F)Oc1ccccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000822718332 606801487 /nfs/dbraw/zinc/80/14/87/606801487.db2.gz IGGZHWHJMPIHLR-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)Oc1ccccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000822718332 606801488 /nfs/dbraw/zinc/80/14/88/606801488.db2.gz IGGZHWHJMPIHLR-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM CC(C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820038740 606843452 /nfs/dbraw/zinc/84/34/52/606843452.db2.gz QVFYONADBWZXRT-ZDUSSCGKSA-N -1 1 353.423 2.205 20 0 FEADMM CCc1nnc(Sc2n[nH]c(C(C)(C)C)n2)c(-c2nn[n-]n2)c1CC ZINC000821548450 606919426 /nfs/dbraw/zinc/91/94/26/606919426.db2.gz MHXIVTICIPTIOO-UHFFFAOYSA-N -1 1 359.463 2.348 20 0 FEADMM Cl/C=C(/Cl)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822563650 606919604 /nfs/dbraw/zinc/91/96/04/606919604.db2.gz LRDZUZIMGHQKLM-JXMROGBWSA-N -1 1 370.244 2.173 20 0 FEADMM CCc1nnc(Sc2nnc(C(C)C)n2C)c(-c2nn[n-]n2)c1CC ZINC000821548730 606929300 /nfs/dbraw/zinc/92/93/00/606929300.db2.gz VRFGQZBCZYTYCX-UHFFFAOYSA-N -1 1 359.463 2.185 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cc[nH]c1C1CC1 ZINC000559620043 674549934 /nfs/dbraw/zinc/54/99/34/674549934.db2.gz QQFPNCDTLLVDJV-UHFFFAOYSA-N -1 1 361.423 2.291 20 0 FEADMM C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820727558 607046686 /nfs/dbraw/zinc/04/66/86/607046686.db2.gz MRBLPEKHISDLSC-IUCAKERBSA-N -1 1 350.839 2.261 20 0 FEADMM CSC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821962480 607144809 /nfs/dbraw/zinc/14/48/09/607144809.db2.gz QMUFHYRDOVMJSC-SECBINFHSA-N -1 1 373.891 2.036 20 0 FEADMM CSC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821962480 607144811 /nfs/dbraw/zinc/14/48/11/607144811.db2.gz QMUFHYRDOVMJSC-SECBINFHSA-N -1 1 373.891 2.036 20 0 FEADMM CCCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](CC)c1ccccc1 ZINC000821062612 607217687 /nfs/dbraw/zinc/21/76/87/607217687.db2.gz ZMOLLGTWFDMRJR-OAHLLOKOSA-N -1 1 368.445 2.238 20 0 FEADMM CC(C)(C)c1nnc([N-]C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)s1 ZINC000819971900 607233271 /nfs/dbraw/zinc/23/32/71/607233271.db2.gz WOSQVLCMMSTDOK-UHFFFAOYSA-N -1 1 364.822 2.316 20 0 FEADMM Cc1ccc(C(C)C)c(OCCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826282862 607786962 /nfs/dbraw/zinc/78/69/62/607786962.db2.gz DMIQBWDJGIHZLJ-UHFFFAOYSA-N -1 1 369.429 2.440 20 0 FEADMM Cc1ccc(C(C)C)c(OCCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000826282862 607786963 /nfs/dbraw/zinc/78/69/63/607786963.db2.gz DMIQBWDJGIHZLJ-UHFFFAOYSA-N -1 1 369.429 2.440 20 0 FEADMM O=C(Nc1ccccc1)NC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826457008 607897718 /nfs/dbraw/zinc/89/77/18/607897718.db2.gz IJXRXTHDCZIOSA-UHFFFAOYSA-N -1 1 364.413 2.052 20 0 FEADMM O=C(Nc1ccccc1)NC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826457008 607897719 /nfs/dbraw/zinc/89/77/19/607897719.db2.gz IJXRXTHDCZIOSA-UHFFFAOYSA-N -1 1 364.413 2.052 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825213509 607904804 /nfs/dbraw/zinc/90/48/04/607904804.db2.gz ZIKGXQIFIVOLSO-DZGCQCFKSA-N -1 1 365.441 2.474 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825213509 607904805 /nfs/dbraw/zinc/90/48/05/607904805.db2.gz ZIKGXQIFIVOLSO-DZGCQCFKSA-N -1 1 365.441 2.474 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([S@](C)=O)cc1 ZINC000824513252 607910298 /nfs/dbraw/zinc/91/02/98/607910298.db2.gz ALDRTPGXEKWYFF-ITSYKEIMSA-N -1 1 361.452 2.157 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc([S@](C)=O)cc1 ZINC000824513252 607910299 /nfs/dbraw/zinc/91/02/99/607910299.db2.gz ALDRTPGXEKWYFF-ITSYKEIMSA-N -1 1 361.452 2.157 20 0 FEADMM CCC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCO1 ZINC000825251176 608009935 /nfs/dbraw/zinc/00/99/35/608009935.db2.gz AIHMJWSYBURWKA-CYBMUJFWSA-N -1 1 370.413 2.200 20 0 FEADMM CCC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCO1 ZINC000825251176 608009936 /nfs/dbraw/zinc/00/99/36/608009936.db2.gz AIHMJWSYBURWKA-CYBMUJFWSA-N -1 1 370.413 2.200 20 0 FEADMM CCc1cc2oc(=O)cc(Cn3ccnc3-c3nnn[n-]3)c2cc1Cl ZINC000825700774 608012743 /nfs/dbraw/zinc/01/27/43/608012743.db2.gz RYNSBHCILXBURO-UHFFFAOYSA-N -1 1 356.773 2.434 20 0 FEADMM CCc1cc2oc(=O)cc(Cn3ccnc3-c3nn[n-]n3)c2cc1Cl ZINC000825700774 608012744 /nfs/dbraw/zinc/01/27/44/608012744.db2.gz RYNSBHCILXBURO-UHFFFAOYSA-N -1 1 356.773 2.434 20 0 FEADMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825965944 608014191 /nfs/dbraw/zinc/01/41/91/608014191.db2.gz IOMRVFIAASMRDZ-UHFFFAOYSA-N -1 1 366.212 2.029 20 0 FEADMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825965944 608014192 /nfs/dbraw/zinc/01/41/92/608014192.db2.gz IOMRVFIAASMRDZ-UHFFFAOYSA-N -1 1 366.212 2.029 20 0 FEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000824999132 608100397 /nfs/dbraw/zinc/10/03/97/608100397.db2.gz CPBDWXBTYHBITC-ZCFIWIBFSA-N -1 1 367.788 2.049 20 0 FEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000824999132 608100398 /nfs/dbraw/zinc/10/03/98/608100398.db2.gz CPBDWXBTYHBITC-ZCFIWIBFSA-N -1 1 367.788 2.049 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1SC(F)F ZINC000826425273 608148739 /nfs/dbraw/zinc/14/87/39/608148739.db2.gz WPCOWGRQGMEJKE-UHFFFAOYSA-N -1 1 351.342 2.017 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1SC(F)F ZINC000826425273 608148740 /nfs/dbraw/zinc/14/87/40/608148740.db2.gz WPCOWGRQGMEJKE-UHFFFAOYSA-N -1 1 351.342 2.017 20 0 FEADMM Cc1cnc([C@@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)o1 ZINC000826317435 608169005 /nfs/dbraw/zinc/16/90/05/608169005.db2.gz CUHVXRVMMGVUNY-LLVKDONJSA-N -1 1 372.385 2.118 20 0 FEADMM CC(C)N1C(=S)N=NC1CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000824371685 608183920 /nfs/dbraw/zinc/18/39/20/608183920.db2.gz OKFYMQYVXPFKCA-UHFFFAOYSA-N -1 1 371.883 2.092 20 0 FEADMM CC(C)N1C(=S)N=NC1CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000824371685 608183921 /nfs/dbraw/zinc/18/39/21/608183921.db2.gz OKFYMQYVXPFKCA-UHFFFAOYSA-N -1 1 371.883 2.092 20 0 FEADMM CCC[C@@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825259728 608236550 /nfs/dbraw/zinc/23/65/50/608236550.db2.gz KOFZKIKFBMOVEX-LBPRGKRZSA-N -1 1 373.891 2.384 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)CCCO ZINC000826340934 608279192 /nfs/dbraw/zinc/27/91/92/608279192.db2.gz PKEDPFPSFXJBSE-UHFFFAOYSA-N -1 1 372.429 2.087 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)CCCO ZINC000826340934 608279193 /nfs/dbraw/zinc/27/91/93/608279193.db2.gz PKEDPFPSFXJBSE-UHFFFAOYSA-N -1 1 372.429 2.087 20 0 FEADMM Cn1c(=O)cccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826355344 608350163 /nfs/dbraw/zinc/35/01/63/608350163.db2.gz VIORMYBYHMYLHH-UHFFFAOYSA-N -1 1 358.427 2.177 20 0 FEADMM Cn1c(=O)cccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826355344 608350165 /nfs/dbraw/zinc/35/01/65/608350165.db2.gz VIORMYBYHMYLHH-UHFFFAOYSA-N -1 1 358.427 2.177 20 0 FEADMM Clc1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000826352259 608365986 /nfs/dbraw/zinc/36/59/86/608365986.db2.gz UZQOXIRNHXCDIC-UHFFFAOYSA-N -1 1 372.820 2.107 20 0 FEADMM CC(C)c1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1Cc1ccco1 ZINC000824364296 608392880 /nfs/dbraw/zinc/39/28/80/608392880.db2.gz AAFQIJXDVIRWGO-UHFFFAOYSA-N -1 1 369.414 2.164 20 0 FEADMM CC(C)c1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1Cc1ccco1 ZINC000824364296 608392882 /nfs/dbraw/zinc/39/28/82/608392882.db2.gz AAFQIJXDVIRWGO-UHFFFAOYSA-N -1 1 369.414 2.164 20 0 FEADMM Oc1ccc(CCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826510901 608394161 /nfs/dbraw/zinc/39/41/61/608394161.db2.gz QOWUVDKTKLYPJP-UHFFFAOYSA-N -1 1 351.414 2.212 20 0 FEADMM Oc1ccc(CCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826510901 608394163 /nfs/dbraw/zinc/39/41/63/608394163.db2.gz QOWUVDKTKLYPJP-UHFFFAOYSA-N -1 1 351.414 2.212 20 0 FEADMM COc1ccc(Br)c(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826186917 608402223 /nfs/dbraw/zinc/40/22/23/608402223.db2.gz PUDGKPPXZOHUOX-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM COc1ccc(Br)c(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826186917 608402225 /nfs/dbraw/zinc/40/22/25/608402225.db2.gz PUDGKPPXZOHUOX-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM Clc1ccc(N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826351946 608405092 /nfs/dbraw/zinc/40/50/92/608405092.db2.gz HUANKHCJUJJFFX-LLVKDONJSA-N -1 1 356.821 2.249 20 0 FEADMM Clc1ccc(N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826351946 608405093 /nfs/dbraw/zinc/40/50/93/608405093.db2.gz HUANKHCJUJJFFX-LLVKDONJSA-N -1 1 356.821 2.249 20 0 FEADMM O=C([N-]CCCSCc1ccc(F)cc1-c1nn[nH]n1)C(F)(F)F ZINC000826436954 608405643 /nfs/dbraw/zinc/40/56/43/608405643.db2.gz QFLLBMVBLIJPJP-UHFFFAOYSA-N -1 1 363.340 2.308 20 0 FEADMM CCCC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC ZINC000825219794 608556092 /nfs/dbraw/zinc/55/60/92/608556092.db2.gz MLSLIWNJKPZENY-UHFFFAOYSA-N -1 1 360.466 2.090 20 0 FEADMM CCCC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC ZINC000825219794 608556094 /nfs/dbraw/zinc/55/60/94/608556094.db2.gz MLSLIWNJKPZENY-UHFFFAOYSA-N -1 1 360.466 2.090 20 0 FEADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(C)(C)C ZINC000824384574 608556386 /nfs/dbraw/zinc/55/63/86/608556386.db2.gz DZWULYZKBGSIFE-LLVKDONJSA-N -1 1 362.482 2.025 20 0 FEADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC(C)(C)C ZINC000824384574 608556387 /nfs/dbraw/zinc/55/63/87/608556387.db2.gz DZWULYZKBGSIFE-LLVKDONJSA-N -1 1 362.482 2.025 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824900270 608564946 /nfs/dbraw/zinc/56/49/46/608564946.db2.gz UFKWEFDLEZSTTC-NQBHXWOUSA-N -1 1 365.434 2.348 20 0 FEADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824900270 608564948 /nfs/dbraw/zinc/56/49/48/608564948.db2.gz UFKWEFDLEZSTTC-NQBHXWOUSA-N -1 1 365.434 2.348 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@H](c1cccs1)c1ccccc1 ZINC000826425216 608890671 /nfs/dbraw/zinc/89/06/71/608890671.db2.gz USAAOLKAGIBOIK-HNNXBMFYSA-N -1 1 365.422 2.031 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@H](c1cccs1)c1ccccc1 ZINC000826425216 608890675 /nfs/dbraw/zinc/89/06/75/608890675.db2.gz USAAOLKAGIBOIK-HNNXBMFYSA-N -1 1 365.422 2.031 20 0 FEADMM COCCn1cc2c(n1)[C@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)CCC2 ZINC000826163901 609172072 /nfs/dbraw/zinc/17/20/72/609172072.db2.gz QGQKOISIMRIUKG-GFCCVEGCSA-N -1 1 374.836 2.248 20 0 FEADMM COCCn1cc2c(n1)[C@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)CCC2 ZINC000826163901 609172074 /nfs/dbraw/zinc/17/20/74/609172074.db2.gz QGQKOISIMRIUKG-GFCCVEGCSA-N -1 1 374.836 2.248 20 0 FEADMM CC[C@@H]1NC(=O)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000825218081 609276580 /nfs/dbraw/zinc/27/65/80/609276580.db2.gz CBMOISCSZGGILG-LBPRGKRZSA-N -1 1 368.422 2.426 20 0 FEADMM Cc1noc(C)c1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826338958 609281036 /nfs/dbraw/zinc/28/10/36/609281036.db2.gz MYRNYIOGRDSETM-UHFFFAOYSA-N -1 1 354.349 2.408 20 0 FEADMM Fc1ccc(N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1Cl ZINC000826375685 609318019 /nfs/dbraw/zinc/31/80/19/609318019.db2.gz YEEODLPOPKAYMP-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Fc1ccc(N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1Cl ZINC000826375685 609318021 /nfs/dbraw/zinc/31/80/21/609318021.db2.gz YEEODLPOPKAYMP-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Fc1ccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1Cl ZINC000826375594 609318409 /nfs/dbraw/zinc/31/84/09/609318409.db2.gz UHTBVIKXPFKWLW-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM Fc1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1Cl ZINC000826375594 609318411 /nfs/dbraw/zinc/31/84/11/609318411.db2.gz UHTBVIKXPFKWLW-SECBINFHSA-N -1 1 360.784 2.140 20 0 FEADMM COc1ccc(-c2nc(SC[C@@H](C)OC)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181602 609449079 /nfs/dbraw/zinc/44/90/79/609449079.db2.gz GONCAVLUQJWOIU-SECBINFHSA-N -1 1 374.426 2.165 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1c(F)cccc1F ZINC000826295185 609517842 /nfs/dbraw/zinc/51/78/42/609517842.db2.gz VRBYRYTZHQXFDL-UHFFFAOYSA-N -1 1 354.320 2.212 20 0 FEADMM O=C(NCCc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826439559 609603397 /nfs/dbraw/zinc/60/33/97/609603397.db2.gz ZTPIQEKABMQRRY-UHFFFAOYSA-N -1 1 353.329 2.318 20 0 FEADMM O=C(NCCc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826439559 609603400 /nfs/dbraw/zinc/60/34/00/609603400.db2.gz ZTPIQEKABMQRRY-UHFFFAOYSA-N -1 1 353.329 2.318 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)c1 ZINC000560075979 674566984 /nfs/dbraw/zinc/56/69/84/674566984.db2.gz GSGXVMWYQAUHLB-UHFFFAOYSA-N -1 1 364.452 2.143 20 0 FEADMM COc1cc(C)nc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)c1 ZINC000560075979 674566990 /nfs/dbraw/zinc/56/69/90/674566990.db2.gz GSGXVMWYQAUHLB-UHFFFAOYSA-N -1 1 364.452 2.143 20 0 FEADMM O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000560347542 674579077 /nfs/dbraw/zinc/57/90/77/674579077.db2.gz RFADPMJIRMXOBQ-LLVKDONJSA-N -1 1 357.805 2.263 20 0 FEADMM CCC(O)(CC)CCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811907890 674638618 /nfs/dbraw/zinc/63/86/18/674638618.db2.gz FRBCLGBUZSMYCV-LBPRGKRZSA-N -1 1 367.412 2.028 20 0 FEADMM O=C(NC[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1)C(F)(F)F ZINC000812281787 674661938 /nfs/dbraw/zinc/66/19/38/674661938.db2.gz MTBNMKSYGXINRH-QMMMGPOBSA-N -1 1 366.286 2.201 20 0 FEADMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1 ZINC000562226790 674730518 /nfs/dbraw/zinc/73/05/18/674730518.db2.gz HEYUDLZMPDYPOL-UHFFFAOYSA-N -1 1 368.377 2.145 20 0 FEADMM Cc1ccc(/C=C\C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000813283028 674733524 /nfs/dbraw/zinc/73/35/24/674733524.db2.gz HGBLZXVPGATKTN-LMVHVUTASA-N -1 1 355.360 2.320 20 0 FEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)cc1 ZINC000562541299 674767204 /nfs/dbraw/zinc/76/72/04/674767204.db2.gz QWQPVJLSZOBHBD-UHFFFAOYSA-N -1 1 366.464 2.014 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CC[C@@H](c3ccccc3)O2)co1 ZINC000814061010 674814798 /nfs/dbraw/zinc/81/47/98/674814798.db2.gz LUUBUZSNAPHSGN-CABCVRRESA-N -1 1 365.407 2.265 20 0 FEADMM CCC(Nc1ccccc1CC)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814371970 674834752 /nfs/dbraw/zinc/83/47/52/674834752.db2.gz DAPFOXZANHHREV-FYWRMAATSA-N -1 1 361.467 2.215 20 0 FEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cscn2)CC1 ZINC000563051545 674839535 /nfs/dbraw/zinc/83/95/35/674839535.db2.gz DAEQOFQPMRXZPC-UHFFFAOYSA-N -1 1 352.485 2.086 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](N3CCCC3=O)C2)c(F)c1 ZINC000563436184 674888066 /nfs/dbraw/zinc/88/80/66/674888066.db2.gz GPCDMPNJAMKSGY-QWHCGFSZSA-N -1 1 372.437 2.485 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SCCC(N)=O)C(C)C ZINC000647126835 677295637 /nfs/dbraw/zinc/29/56/37/677295637.db2.gz BCJCUFBGTAIKKZ-ZDUSSCGKSA-N -1 1 360.501 2.067 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)c(C)c1F ZINC000563767530 674937520 /nfs/dbraw/zinc/93/75/20/674937520.db2.gz UQUNTCIOYAEBJZ-UHFFFAOYSA-N -1 1 350.371 2.187 20 0 FEADMM O=C(CN1C(=O)C(F)(F)Oc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000815877242 674980229 /nfs/dbraw/zinc/98/02/29/674980229.db2.gz IIWDUEBHTLQQGC-UHFFFAOYSA-N -1 1 352.268 2.488 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cc1OC ZINC000564366913 675002327 /nfs/dbraw/zinc/00/23/27/675002327.db2.gz FCOGIYBBNUEKEG-UHFFFAOYSA-N -1 1 362.407 2.056 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1ccc2c(c1)NC(=O)CO2 ZINC000564384418 675005596 /nfs/dbraw/zinc/00/55/96/675005596.db2.gz PRKFTKSALWGXLQ-UHFFFAOYSA-N -1 1 367.333 2.426 20 0 FEADMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2nc3ccccc3s2)C1(C)C ZINC000564447408 675020419 /nfs/dbraw/zinc/02/04/19/675020419.db2.gz SKVZTYOJBOZXDP-XJKSGUPXSA-N -1 1 370.496 2.141 20 0 FEADMM CCCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1cccc(F)c1 ZINC000564550501 675035273 /nfs/dbraw/zinc/03/52/73/675035273.db2.gz RHWQYCUULCVBME-UHFFFAOYSA-N -1 1 369.418 2.269 20 0 FEADMM O=C(NCc1cccnn1)c1c([O-])cnc2c(Br)cccc21 ZINC000564528944 675031927 /nfs/dbraw/zinc/03/19/27/675031927.db2.gz LHTJBTJQQGCNMF-UHFFFAOYSA-N -1 1 359.183 2.423 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000564656871 675048966 /nfs/dbraw/zinc/04/89/66/675048966.db2.gz XXEBFNXRPKOSAW-MBNYWOFBSA-N -1 1 350.415 2.073 20 0 FEADMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000010600924 669988876 /nfs/dbraw/zinc/98/88/76/669988876.db2.gz CZIGFLZRDNWTDT-SNVBAGLBSA-N -1 1 359.769 2.146 20 0 FEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013262256 670005698 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CCOc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000048125985 670258022 /nfs/dbraw/zinc/25/80/22/670258022.db2.gz ANENSGWKADLCKY-NSHDSACASA-N -1 1 352.412 2.077 20 0 FEADMM Cc1csc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000048151152 670258632 /nfs/dbraw/zinc/25/86/32/670258632.db2.gz WLQXEOAHAKNAIT-UHFFFAOYSA-N -1 1 371.484 2.094 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCSC(F)(F)F)o1 ZINC000053571304 670324906 /nfs/dbraw/zinc/32/49/06/670324906.db2.gz CBHHJVIBLBQILL-UHFFFAOYSA-N -1 1 374.406 2.339 20 0 FEADMM Cc1nc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc2o1 ZINC000055161206 670346941 /nfs/dbraw/zinc/34/69/41/670346941.db2.gz SHKRZBPSYSQITC-UHFFFAOYSA-N -1 1 361.379 2.466 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2sccc2Br)c1Cl ZINC000058510789 670378490 /nfs/dbraw/zinc/37/84/90/670378490.db2.gz KVAZYGMDVSVANI-UHFFFAOYSA-N -1 1 370.681 2.376 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1cn2ccccc2n1 ZINC000060380641 670384940 /nfs/dbraw/zinc/38/49/40/670384940.db2.gz 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C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CO1 ZINC000577950252 671630499 /nfs/dbraw/zinc/63/04/99/671630499.db2.gz ZFZFPUIZDOIXCV-NKWVEPMBSA-N -1 1 356.188 2.183 20 0 FEADMM COC(=O)CC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCOCC1 ZINC000578032096 671636117 /nfs/dbraw/zinc/63/61/17/671636117.db2.gz SHRSGQWPYAUXPU-UHFFFAOYSA-N -1 1 367.423 2.071 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000609494757 675923594 /nfs/dbraw/zinc/92/35/94/675923594.db2.gz OEVYUASLMLAEET-JOCHJYFZSA-N -1 1 353.421 2.011 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc3ccsc3c2)c1 ZINC000578928856 671699374 /nfs/dbraw/zinc/69/93/74/671699374.db2.gz HVNOZSMAJPONDC-UHFFFAOYSA-N -1 1 363.420 2.162 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Cc2ccsc2)n[n-]1 ZINC000579669335 671751715 /nfs/dbraw/zinc/75/17/15/671751715.db2.gz ACYKVNURXCABEG-LBPRGKRZSA-N -1 1 350.444 2.489 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Cc2ccsc2)[n-]1 ZINC000579669335 671751716 /nfs/dbraw/zinc/75/17/16/671751716.db2.gz ACYKVNURXCABEG-LBPRGKRZSA-N -1 1 350.444 2.489 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)Cc2ccsc2)n1 ZINC000579669335 671751718 /nfs/dbraw/zinc/75/17/18/671751718.db2.gz ACYKVNURXCABEG-LBPRGKRZSA-N -1 1 350.444 2.489 20 0 FEADMM O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cc(=O)n2[n-]cnc2n1 ZINC000580047035 671778842 /nfs/dbraw/zinc/77/88/42/671778842.db2.gz LAIKBPBDMGSBLV-YPMHNXCESA-N -1 1 357.801 2.137 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCc1ccccc1)C1CCCCC1 ZINC000580993452 671853450 /nfs/dbraw/zinc/85/34/50/671853450.db2.gz UCYSFLOVMAJNHE-QGZVFWFLSA-N -1 1 369.483 2.245 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)c1 ZINC000610056916 675948834 /nfs/dbraw/zinc/94/88/34/675948834.db2.gz PVMAVZXLYWVEHB-UHFFFAOYSA-N -1 1 365.407 2.429 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)co1 ZINC000121732202 671956414 /nfs/dbraw/zinc/95/64/14/671956414.db2.gz JNAHPHVBOTUQOQ-UHFFFAOYSA-N -1 1 364.210 2.329 20 0 FEADMM C[S@](=O)CCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000582576662 672014613 /nfs/dbraw/zinc/01/46/13/672014613.db2.gz YYANNTGUIRZCSC-NRFANRHFSA-N -1 1 371.256 2.201 20 0 FEADMM Cn1nccc1N1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000582886667 672043082 /nfs/dbraw/zinc/04/30/82/672043082.db2.gz XPWVDTBWSMWVET-JTQLQIEISA-N -1 1 360.892 2.082 20 0 FEADMM Cc1cc(Cl)c(C(=O)OCCc2c(C)nc3[n-]cnn3c2=O)cc1C ZINC000132123154 672094631 /nfs/dbraw/zinc/09/46/31/672094631.db2.gz OUGJLYQFJOOAIK-UHFFFAOYSA-N -1 1 360.801 2.396 20 0 FEADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000152578832 672184300 /nfs/dbraw/zinc/18/43/00/672184300.db2.gz OTYNJOVRVODVIF-UHFFFAOYSA-N -1 1 368.777 2.255 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C[C@H]1C(=O)[O-] ZINC000584589046 672202744 /nfs/dbraw/zinc/20/27/44/672202744.db2.gz UKRXYUSGWFWQFT-WQVCFCJDSA-N -1 1 351.422 2.181 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C[C@H]1C(=O)[O-] ZINC000584589043 672202815 /nfs/dbraw/zinc/20/28/15/672202815.db2.gz UKRXYUSGWFWQFT-DAXOMENPSA-N -1 1 351.422 2.181 20 0 FEADMM COC(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC000610711657 675990947 /nfs/dbraw/zinc/99/09/47/675990947.db2.gz JQDZAJBQYZLGBH-UHFFFAOYSA-N -1 1 371.361 2.239 20 0 FEADMM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000585778547 672232676 /nfs/dbraw/zinc/23/26/76/672232676.db2.gz QYAYDOLELOOJJC-UHFFFAOYSA-N -1 1 360.426 2.280 20 0 FEADMM CC(=O)NCc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000156398386 672246224 /nfs/dbraw/zinc/24/62/24/672246224.db2.gz ZPFFIPNDRGNTFG-UHFFFAOYSA-N -1 1 364.199 2.438 20 0 FEADMM COCCCOC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000172913881 672345960 /nfs/dbraw/zinc/34/59/60/672345960.db2.gz MGIBREYOAXFAMM-UHFFFAOYSA-N -1 1 363.487 2.478 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C(F)(F)F)c2C)o1 ZINC000611101924 676017126 /nfs/dbraw/zinc/01/71/26/676017126.db2.gz QJRJGHFXSQYLPE-UHFFFAOYSA-N -1 1 367.305 2.307 20 0 FEADMM O=C(NOCc1cccnc1)c1cc(I)ccc1[O-] ZINC000179026149 672398279 /nfs/dbraw/zinc/39/82/79/672398279.db2.gz XQMINSXGFOHKNO-UHFFFAOYSA-N -1 1 370.146 2.253 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000678655200 672435526 /nfs/dbraw/zinc/43/55/26/672435526.db2.gz FQIRCRHRWQOBKD-UHFFFAOYSA-N -1 1 365.342 2.296 20 0 FEADMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182337709 672443600 /nfs/dbraw/zinc/44/36/00/672443600.db2.gz DKNXDPPCZZNLSR-UHFFFAOYSA-N -1 1 367.358 2.250 20 0 FEADMM COc1cc(NC(=O)c2ccc3n[nH]cc3c2)ccc1[N-]S(C)(=O)=O ZINC000588009769 672444736 /nfs/dbraw/zinc/44/47/36/672444736.db2.gz QJOXYEBKPHVSHG-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1 ZINC000588888446 672488796 /nfs/dbraw/zinc/48/87/96/672488796.db2.gz ODCYTJKLJKWMIJ-ZDUSSCGKSA-N -1 1 361.460 2.112 20 0 FEADMM COc1ccc(Br)c(C(=O)N[N-]C(=O)c2ccc(F)cn2)c1 ZINC000184246814 672494925 /nfs/dbraw/zinc/49/49/25/672494925.db2.gz FHJCSLDJPDPQKF-UHFFFAOYSA-N -1 1 368.162 2.067 20 0 FEADMM O=S(=O)([N-][C@H](CCO)c1ccco1)c1ccc(Cl)nc1Cl ZINC000184282819 672496195 /nfs/dbraw/zinc/49/61/95/672496195.db2.gz LXUWCKZFLPFPLF-MRVPVSSYSA-N -1 1 351.211 2.383 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)CCc2cc(F)ccc2Br)n[nH]1 ZINC000184413710 672498570 /nfs/dbraw/zinc/49/85/70/672498570.db2.gz BOZADRXDQDHNHH-UHFFFAOYSA-N -1 1 369.194 2.014 20 0 FEADMM CNC(=O)[C@H](CCSC)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000589942698 672549158 /nfs/dbraw/zinc/54/91/58/672549158.db2.gz VBPGBQMIRFNFAT-JTQLQIEISA-N -1 1 350.362 2.009 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)Cc2cccc(C(=O)OC)c2)n1 ZINC000611343284 676033292 /nfs/dbraw/zinc/03/32/92/676033292.db2.gz GGLAVWBJADEASZ-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000187884970 672578828 /nfs/dbraw/zinc/57/88/28/672578828.db2.gz QPVPOFUKQXAGIZ-MNOVXSKESA-N -1 1 373.236 2.431 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(C)(C)C ZINC000590747180 672608632 /nfs/dbraw/zinc/60/86/32/672608632.db2.gz NPUQBAJGCHPAPX-GFCCVEGCSA-N -1 1 351.827 2.486 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccn1 ZINC000611464775 676038727 /nfs/dbraw/zinc/03/87/27/676038727.db2.gz BAFCPPOAUTWRJU-ZDUSSCGKSA-N -1 1 354.284 2.450 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(=O)n(-c2ccccc2F)n1 ZINC000189851858 672625663 /nfs/dbraw/zinc/62/56/63/672625663.db2.gz FXONMHUBWYOOGW-UHFFFAOYSA-N -1 1 360.732 2.378 20 0 FEADMM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000591331653 672671916 /nfs/dbraw/zinc/67/19/16/672671916.db2.gz IXHHNZUNZDHOOZ-MRXNPFEDSA-N -1 1 364.423 2.103 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc3cc(OC)c(OC)cc3s2)on1 ZINC000611584906 676046197 /nfs/dbraw/zinc/04/61/97/676046197.db2.gz NRMFNAOVRARHGN-UHFFFAOYSA-N -1 1 363.351 2.340 20 0 FEADMM Cc1cnc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)c([O-])c1 ZINC000681741268 672693822 /nfs/dbraw/zinc/69/38/22/672693822.db2.gz KPESMRMPTMPMIB-LBPRGKRZSA-N -1 1 351.200 2.322 20 0 FEADMM COCCC1CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000591786101 672712035 /nfs/dbraw/zinc/71/20/35/672712035.db2.gz XUKBGWZHMVTHPL-UHFFFAOYSA-N -1 1 361.179 2.105 20 0 FEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ncccc1C(F)(F)F)CC(C)C ZINC000592036016 672738748 /nfs/dbraw/zinc/73/87/48/672738748.db2.gz WHGOPMLXJHLFRG-SNVBAGLBSA-N -1 1 368.377 2.214 20 0 FEADMM CCCC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000592046469 672741487 /nfs/dbraw/zinc/74/14/87/672741487.db2.gz UUXPLEOOOWFYKB-JTQLQIEISA-N -1 1 354.350 2.111 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592054776 672743635 /nfs/dbraw/zinc/74/36/35/672743635.db2.gz SFDYYOZOUMQXMB-KOLCDFICSA-N -1 1 366.361 2.111 20 0 FEADMM COc1cc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)cc(Cl)c1[O-] ZINC000682388650 672751867 /nfs/dbraw/zinc/75/18/67/672751867.db2.gz UYPAAKQOQLGZBJ-CQSZACIVSA-N -1 1 368.861 2.237 20 0 FEADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCn1cccc1 ZINC000226579086 672795264 /nfs/dbraw/zinc/79/52/64/672795264.db2.gz CFVUBFMOEJHUKU-UHFFFAOYSA-N -1 1 374.216 2.137 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)cnc1C ZINC000592385052 672795837 /nfs/dbraw/zinc/79/58/37/672795837.db2.gz LUFZFBUNQFFASV-UHFFFAOYSA-N -1 1 352.416 2.132 20 0 FEADMM O=C(c1cccc(Br)c1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000683248307 672827119 /nfs/dbraw/zinc/82/71/19/672827119.db2.gz BZYBIABURPXBDD-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM CC(C)(C)OC(=O)Cn1cc(NC(=O)c2c(F)ccc([O-])c2F)cn1 ZINC000592813756 672842207 /nfs/dbraw/zinc/84/22/07/672842207.db2.gz TVQLJRHJAUFCSZ-UHFFFAOYSA-N -1 1 353.325 2.461 20 0 FEADMM CCC[C@H](NC(=O)c1cccn2cc(C(F)(F)F)nc12)c1nn[n-]n1 ZINC000612062103 676066722 /nfs/dbraw/zinc/06/67/22/676066722.db2.gz SLVGYVWOMGNPGF-VIFPVBQESA-N -1 1 353.308 2.137 20 0 FEADMM O=C(c1ncc2ccccc2c1[O-])N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000612106625 676068999 /nfs/dbraw/zinc/06/89/99/676068999.db2.gz HAXUMRLJYPWCNB-HUUCEWRRSA-N -1 1 360.435 2.122 20 0 FEADMM O=C(CCS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)Nc1ccccc1 ZINC000683685417 672866400 /nfs/dbraw/zinc/86/64/00/672866400.db2.gz CYSHUBQKMYQVFV-UHFFFAOYSA-N -1 1 356.407 2.274 20 0 FEADMM O=C(CCS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)Nc1ccccc1 ZINC000683685417 672866406 /nfs/dbraw/zinc/86/64/06/672866406.db2.gz CYSHUBQKMYQVFV-UHFFFAOYSA-N -1 1 356.407 2.274 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)/C=C\c1cncc(F)c1 ZINC000255511174 672892245 /nfs/dbraw/zinc/89/22/45/672892245.db2.gz IJNSDALGTZKHSI-DJWKRKHSSA-N -1 1 353.350 2.383 20 0 FEADMM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000263021957 672925846 /nfs/dbraw/zinc/92/58/46/672925846.db2.gz MEHXODDSZCKLPD-STQMWFEESA-N -1 1 363.801 2.434 20 0 FEADMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000264056118 672937434 /nfs/dbraw/zinc/93/74/34/672937434.db2.gz ZOYNZQFGQFJETQ-LURJTMIESA-N -1 1 367.353 2.072 20 0 FEADMM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCc1nn[n-]n1 ZINC000684767309 672964169 /nfs/dbraw/zinc/96/41/69/672964169.db2.gz NGQDERPKKKVTAS-UHFFFAOYSA-N -1 1 353.169 2.400 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCN(c2cccnn2)CC1 ZINC000684873534 672973031 /nfs/dbraw/zinc/97/30/31/672973031.db2.gz YPZLDNJMGGZUOU-UHFFFAOYSA-N -1 1 352.316 2.163 20 0 FEADMM CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1c(F)ccc([O-])c1F ZINC000593856609 672999794 /nfs/dbraw/zinc/99/97/94/672999794.db2.gz DUMIPJVDEWVCRD-LLVKDONJSA-N -1 1 357.353 2.291 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)C2CCCC2)c(Br)n1C ZINC000311533702 673027358 /nfs/dbraw/zinc/02/73/58/673027358.db2.gz RSBHOTURUQBRIJ-MRVPVSSYSA-N -1 1 350.282 2.348 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(Br)n1C ZINC000314830280 673033554 /nfs/dbraw/zinc/03/35/54/673033554.db2.gz SCECOFJGQCGOLU-LLVKDONJSA-N -1 1 370.272 2.109 20 0 FEADMM CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000322636355 673042134 /nfs/dbraw/zinc/04/21/34/673042134.db2.gz SLGNTLKCDQCNGW-LBPRGKRZSA-N -1 1 360.863 2.143 20 0 FEADMM CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000322585292 673042167 /nfs/dbraw/zinc/04/21/67/673042167.db2.gz DYCSUAUPTFSLDR-NSHDSACASA-N -1 1 360.863 2.143 20 0 FEADMM O=C(NCC1(CO)CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000685784809 673043637 /nfs/dbraw/zinc/04/36/37/673043637.db2.gz WNTKEPFNZYRHGB-UHFFFAOYSA-N -1 1 351.200 2.205 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000685914215 673054379 /nfs/dbraw/zinc/05/43/79/673054379.db2.gz HKYWXCDOQCWETB-UHFFFAOYSA-N -1 1 362.333 2.212 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1C(=O)[O-] ZINC000327348497 673059106 /nfs/dbraw/zinc/05/91/06/673059106.db2.gz IBJZBANBSFYXDK-HNNXBMFYSA-N -1 1 366.483 2.251 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C)c1F ZINC000594462827 673076793 /nfs/dbraw/zinc/07/67/93/673076793.db2.gz MQLJAUJFRODQJL-RMLUDKJBSA-N -1 1 365.810 2.112 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCS[C@H]2C)c1F ZINC000594466634 673077919 /nfs/dbraw/zinc/07/79/19/673077919.db2.gz BWVASMPJGZMNIE-OIBJUYFYSA-N -1 1 367.851 2.438 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000594488420 673091526 /nfs/dbraw/zinc/09/15/26/673091526.db2.gz YCPBKJNXNIGOME-AWEZNQCLSA-N -1 1 366.439 2.077 20 0 FEADMM C/C=C/C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000859359160 683092995 /nfs/dbraw/zinc/09/29/95/683092995.db2.gz QFINTIYGBNBQNZ-ONEGZZNKSA-N -1 1 366.208 2.229 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC(C(F)F)C1 ZINC000612832772 676100095 /nfs/dbraw/zinc/10/00/95/676100095.db2.gz FIGGDGYLQUSOAH-UHFFFAOYSA-N -1 1 353.106 2.334 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)o1 ZINC000594863319 673169633 /nfs/dbraw/zinc/16/96/33/673169633.db2.gz HNOHDILUHDYEHM-QWHCGFSZSA-N -1 1 371.455 2.471 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCCOC2CCCCC2)cc1C ZINC000595303841 673219423 /nfs/dbraw/zinc/21/94/23/673219423.db2.gz KQJJUGPGTGNOGW-UHFFFAOYSA-N -1 1 359.444 2.392 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)cc1C ZINC000595308684 673220646 /nfs/dbraw/zinc/22/06/46/673220646.db2.gz 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CN(C)S(=O)(=O)c1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445460066 673226259 /nfs/dbraw/zinc/22/62/59/673226259.db2.gz MMDFELOEARASBM-UHFFFAOYSA-N -1 1 363.370 2.499 20 0 FEADMM O=S(=O)([N-]C1CCC2(CC1)OCCO2)c1cc(F)c(F)cc1F ZINC000729853782 673250287 /nfs/dbraw/zinc/25/02/87/673250287.db2.gz IOTQOXYMAUKDKY-UHFFFAOYSA-N -1 1 351.346 2.068 20 0 FEADMM Cc1ccn([C@H](C)CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000613249504 676119676 /nfs/dbraw/zinc/11/96/76/676119676.db2.gz FNPCCOPUXQNOPE-LLVKDONJSA-N -1 1 354.407 2.292 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)o1 ZINC000462721589 673279176 /nfs/dbraw/zinc/27/91/76/673279176.db2.gz UBUAXUIYGCOGNP-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccc(F)c(C)c1 ZINC000613441333 676129377 /nfs/dbraw/zinc/12/93/77/676129377.db2.gz WZZAVZSZOZRZPN-AWEZNQCLSA-N -1 1 369.418 2.173 20 0 FEADMM CNS(=O)(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1OC ZINC000732306688 673362476 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CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Cc2ncc(C)s2)n[n-]1 ZINC000597578472 673489205 /nfs/dbraw/zinc/48/92/05/673489205.db2.gz DDVJFTIGZWZZQY-NSHDSACASA-N -1 1 365.459 2.192 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Cc2ncc(C)s2)[n-]1 ZINC000597578472 673489209 /nfs/dbraw/zinc/48/92/09/673489209.db2.gz DDVJFTIGZWZZQY-NSHDSACASA-N -1 1 365.459 2.192 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)Cc2ncc(C)s2)n1 ZINC000597578472 673489211 /nfs/dbraw/zinc/48/92/11/673489211.db2.gz DDVJFTIGZWZZQY-NSHDSACASA-N -1 1 365.459 2.192 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1CC(=O)[O-] ZINC000540339382 673535134 /nfs/dbraw/zinc/53/51/34/673535134.db2.gz DHOXDGSGHFTSAI-UHFFFAOYSA-N -1 1 365.407 2.440 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCO3)c2)cc1 ZINC000543411690 673645450 /nfs/dbraw/zinc/64/54/50/673645450.db2.gz ZXAORVLTVPWICF-UHFFFAOYSA-N -1 1 362.407 2.274 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OCC)C1CC1)c1ccccc1 ZINC000599247850 673648048 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CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cn1C ZINC000544817447 673734521 /nfs/dbraw/zinc/73/45/21/673734521.db2.gz BJDGNNCNXVEYIX-UHFFFAOYSA-N -1 1 352.412 2.320 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCC[C@@H]2CCCCO2)o1 ZINC000544826526 673734768 /nfs/dbraw/zinc/73/47/68/673734768.db2.gz RLTCCTMJBDGAQK-ZDUSSCGKSA-N -1 1 372.487 2.436 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCOc2ccccc2C)o1 ZINC000742879975 673740751 /nfs/dbraw/zinc/74/07/51/673740751.db2.gz OKOSGINMOQJLMO-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM C[C@@H](SCc1ccccc1)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600874773 673804969 /nfs/dbraw/zinc/80/49/69/673804969.db2.gz NCKOSDQTUNDFOE-CQSZACIVSA-N -1 1 350.484 2.316 20 0 FEADMM CCCCOC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744882319 673815455 /nfs/dbraw/zinc/81/54/55/673815455.db2.gz TYQLRRQCQOOUST-LBPRGKRZSA-N -1 1 357.428 2.337 20 0 FEADMM O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cncc([O-])c1 ZINC000600974710 673815633 /nfs/dbraw/zinc/81/56/33/673815633.db2.gz 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20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000615227390 676208127 /nfs/dbraw/zinc/20/81/27/676208127.db2.gz QEACIVUVKLPHHM-SNVBAGLBSA-N -1 1 358.427 2.284 20 0 FEADMM CC(C)N(C(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1)C(C)C ZINC000567117214 675268335 /nfs/dbraw/zinc/26/83/35/675268335.db2.gz FZFOCWYGEVZLGB-ZDUSSCGKSA-N -1 1 364.471 2.279 20 0 FEADMM CC(C)N(C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1)C(C)C ZINC000567117214 675268339 /nfs/dbraw/zinc/26/83/39/675268339.db2.gz FZFOCWYGEVZLGB-ZDUSSCGKSA-N -1 1 364.471 2.279 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccco1 ZINC000567927004 675336275 /nfs/dbraw/zinc/33/62/75/675336275.db2.gz XDHJIBNBOSLVGX-SECBINFHSA-N -1 1 360.794 2.055 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCOC3(CCOCC3)C2)c1 ZINC000820632419 675375542 /nfs/dbraw/zinc/37/55/42/675375542.db2.gz LPRWANULTPZECJ-MQNRADLISA-N -1 1 368.451 2.074 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624973 675387404 /nfs/dbraw/zinc/38/74/04/675387404.db2.gz URNHZODMLSFSMZ-NWDGAFQWSA-N -1 1 367.496 2.222 20 0 FEADMM Cc1cc(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)on1 ZINC000820787558 675388177 /nfs/dbraw/zinc/38/81/77/675388177.db2.gz AIUDMFDXHXYPHW-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000820793875 675388987 /nfs/dbraw/zinc/38/89/87/675388987.db2.gz JTUYOQQVUZHLAI-MWLCHTKSSA-N -1 1 363.361 2.219 20 0 FEADMM O=S(=O)([N-]CCC1(O)CCC1)c1cc(Br)c(F)cc1F ZINC000569013572 675417541 /nfs/dbraw/zinc/41/75/41/675417541.db2.gz HVZGGPNNUIAERE-UHFFFAOYSA-N -1 1 370.215 2.311 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)N2CCCCCC2)c1 ZINC000821357665 675429823 /nfs/dbraw/zinc/42/98/23/675429823.db2.gz ACNKYRSOWDIRJX-SXBQZSJRSA-N -1 1 367.467 2.137 20 0 FEADMM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(C3CC3)s2)c(Cl)cn1 ZINC000822639996 675497862 /nfs/dbraw/zinc/49/78/62/675497862.db2.gz WNXQTRAKGMADSD-UHFFFAOYSA-N -1 1 358.832 2.120 20 0 FEADMM O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000823192425 675535333 /nfs/dbraw/zinc/53/53/33/675535333.db2.gz VLWALNJYEQZHLU-VIFPVBQESA-N -1 1 362.604 2.374 20 0 FEADMM COc1cccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000824154719 675586413 /nfs/dbraw/zinc/58/64/13/675586413.db2.gz GTUVPFAJXFIOKZ-JTQLQIEISA-N -1 1 360.336 2.013 20 0 FEADMM Cn1nc(C(F)(F)F)cc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000825949366 675675451 /nfs/dbraw/zinc/67/54/51/675675451.db2.gz SNLFYABHYZQNLW-VIFPVBQESA-N -1 1 372.313 2.329 20 0 FEADMM Cc1nc2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc2s1 ZINC000826328766 675686225 /nfs/dbraw/zinc/68/62/25/675686225.db2.gz CAOXNWYEUGOCDF-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM Cc1nc2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc2s1 ZINC000826328766 675686226 /nfs/dbraw/zinc/68/62/26/675686226.db2.gz CAOXNWYEUGOCDF-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCSc3ccccc32)c1-c1nnn[n-]1 ZINC000826346568 675686684 /nfs/dbraw/zinc/68/66/84/675686684.db2.gz POFMPXWHJJZNAT-LLVKDONJSA-N -1 1 356.411 2.059 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCSc3ccccc32)c1-c1nn[n-]n1 ZINC000826346568 675686687 /nfs/dbraw/zinc/68/66/87/675686687.db2.gz POFMPXWHJJZNAT-LLVKDONJSA-N -1 1 356.411 2.059 20 0 FEADMM O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492358 675689294 /nfs/dbraw/zinc/68/92/94/675689294.db2.gz GSXOFHZPLZBDMS-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492358 675689297 /nfs/dbraw/zinc/68/92/97/675689297.db2.gz GSXOFHZPLZBDMS-UHFFFAOYSA-N -1 1 371.209 2.369 20 0 FEADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000826686801 675700404 /nfs/dbraw/zinc/70/04/04/675700404.db2.gz UWNLXZBDAXLNRL-RFGFWPKPSA-N -1 1 364.408 2.353 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)C(=O)OC(C)(C)C ZINC000826918838 675715602 /nfs/dbraw/zinc/71/56/02/675715602.db2.gz IELOZHUNUPYGPN-LBPRGKRZSA-N -1 1 350.444 2.114 20 0 FEADMM CCN(C)c1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cn1 ZINC000827851742 675783484 /nfs/dbraw/zinc/78/34/84/675783484.db2.gz UUGAPQGBJWYFOG-OCCSQVGLSA-N -1 1 358.408 2.427 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000827881459 675785255 /nfs/dbraw/zinc/78/52/55/675785255.db2.gz FEMCSNIBWSXOTN-ZETCQYMHSA-N -1 1 356.778 2.091 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cccc3c2CCOC3)C1 ZINC000828680666 675836855 /nfs/dbraw/zinc/83/68/55/675836855.db2.gz OUTYZVPBHOZCKV-MRXNPFEDSA-N -1 1 356.344 2.042 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cccc3c2CCOC3)C1 ZINC000828680663 675836970 /nfs/dbraw/zinc/83/69/70/675836970.db2.gz OUTYZVPBHOZCKV-INIZCTEOSA-N -1 1 356.344 2.042 20 0 FEADMM O=C(CSC(F)F)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000829468498 675880119 /nfs/dbraw/zinc/88/01/19/675880119.db2.gz ICCZLPRLBBBBCQ-SECBINFHSA-N -1 1 351.741 2.154 20 0 FEADMM O=C(CSC(F)F)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000829468499 675880149 /nfs/dbraw/zinc/88/01/49/675880149.db2.gz ICCZLPRLBBBBCQ-VIFPVBQESA-N -1 1 351.741 2.154 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608366086 675889649 /nfs/dbraw/zinc/88/96/49/675889649.db2.gz NCDNGBAGWFBHLG-UHFFFAOYSA-N -1 1 366.414 2.455 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C[C@@H](C)c2ccc(F)cc2F)n[n-]1 ZINC000615916561 676233647 /nfs/dbraw/zinc/23/36/47/676233647.db2.gz CZSGRRDTTOUOBG-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@@H](C)c2ccc(F)cc2F)n1 ZINC000615916561 676233648 /nfs/dbraw/zinc/23/36/48/676233648.db2.gz CZSGRRDTTOUOBG-SECBINFHSA-N -1 1 352.341 2.070 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2csc(-c3cccs3)n2)n[n-]1 ZINC000615920395 676233891 /nfs/dbraw/zinc/23/38/91/676233891.db2.gz RXEHAPAXWMHYPQ-UHFFFAOYSA-N -1 1 363.424 2.096 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2csc(-c3cccs3)n2)n1 ZINC000615920395 676233893 /nfs/dbraw/zinc/23/38/93/676233893.db2.gz RXEHAPAXWMHYPQ-UHFFFAOYSA-N -1 1 363.424 2.096 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@](C)(CO)c2ccccc2)c(=O)[n-]1 ZINC000616810146 676257726 /nfs/dbraw/zinc/25/77/26/676257726.db2.gz OTNDLHOACVTACV-GOSISDBHSA-N -1 1 361.467 2.169 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)CC2CC2)o1 ZINC000618962587 676358075 /nfs/dbraw/zinc/35/80/75/676358075.db2.gz MIMKKQWVJIQDQA-UHFFFAOYSA-N -1 1 366.414 2.379 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1N ZINC000619855825 676397320 /nfs/dbraw/zinc/39/73/20/676397320.db2.gz SAAUWUHDNNLULZ-UHFFFAOYSA-N -1 1 362.407 2.181 20 0 FEADMM O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000619972377 676401201 /nfs/dbraw/zinc/40/12/01/676401201.db2.gz NUYHVICSRRVBOE-HZPDHXFCSA-N -1 1 350.846 2.419 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2ccco2)o1 ZINC000620360811 676414910 /nfs/dbraw/zinc/41/49/10/676414910.db2.gz JZSWEMLNQFMLGJ-UHFFFAOYSA-N -1 1 354.428 2.312 20 0 FEADMM CCN(C)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1 ZINC000621305837 676452172 /nfs/dbraw/zinc/45/21/72/676452172.db2.gz KNPUDNUYQDEICL-UHFFFAOYSA-N -1 1 357.220 2.327 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)CSc3ccc(C)cc3C)nc2n1 ZINC000622995600 676514696 /nfs/dbraw/zinc/51/46/96/676514696.db2.gz IKZDGBOAGSIWTK-UHFFFAOYSA-N -1 1 357.439 2.328 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@@H](C)c2cnccn2)no1 ZINC000624746755 676592857 /nfs/dbraw/zinc/59/28/57/676592857.db2.gz IECUGFQXODKEHW-VHSXEESVSA-N -1 1 365.440 2.112 20 0 FEADMM O=S(=O)([N-]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1 ZINC000625328189 676639487 /nfs/dbraw/zinc/63/94/87/676639487.db2.gz POPNYCIRLZHPCV-NSHDSACASA-N -1 1 355.288 2.243 20 0 FEADMM O=S(=O)(C[C@H]1CCCO1)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625373099 676643347 /nfs/dbraw/zinc/64/33/47/676643347.db2.gz BPGGVIUTDYFSLM-YRGRVCCFSA-N -1 1 365.373 2.019 20 0 FEADMM O=S(=O)([N-][C@H](CCc1ccccc1)C(F)F)c1cnn2c1OCCC2 ZINC000625424498 676648155 /nfs/dbraw/zinc/64/81/55/676648155.db2.gz VSEMOYQCVLPPHZ-CYBMUJFWSA-N -1 1 371.409 2.210 20 0 FEADMM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000625515484 676652877 /nfs/dbraw/zinc/65/28/77/676652877.db2.gz DECZJAHGYIKSRS-JTQLQIEISA-N -1 1 360.888 2.164 20 0 FEADMM CCC[C@H](OCC)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000626472787 676707606 /nfs/dbraw/zinc/70/76/06/676707606.db2.gz LMBGQFJYGFMIDM-STQMWFEESA-N -1 1 355.801 2.403 20 0 FEADMM C[C@H]1CN(C(=O)NCCN(C)Cc2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000626756514 676721038 /nfs/dbraw/zinc/72/10/38/676721038.db2.gz SLMZRWXLUJIRQM-BBRMVZONSA-N -1 1 351.422 2.010 20 0 FEADMM CSc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)ccn1 ZINC000678030514 679711009 /nfs/dbraw/zinc/71/10/09/679711009.db2.gz KUXDLIIGRYGDKB-UHFFFAOYSA-N -1 1 351.453 2.306 20 0 FEADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OCC)C2CC2)cc1 ZINC000629287341 676840581 /nfs/dbraw/zinc/84/05/81/676840581.db2.gz KVTHDMUFQTWOKW-INIZCTEOSA-N -1 1 354.472 2.383 20 0 FEADMM O=S(=O)(CCc1c(F)cccc1F)[N-]c1ccc2c(n1)OCCO2 ZINC000629352499 676850863 /nfs/dbraw/zinc/85/08/63/676850863.db2.gz YBSRYDIHZWANGS-UHFFFAOYSA-N -1 1 356.350 2.115 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000630869150 676924596 /nfs/dbraw/zinc/92/45/96/676924596.db2.gz DMLQEQPLZFVWJX-ZDUSSCGKSA-N -1 1 354.859 2.016 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000631656474 676950500 /nfs/dbraw/zinc/95/05/00/676950500.db2.gz SKKLTYITLXURFQ-GFCCVEGCSA-N -1 1 356.469 2.044 20 0 FEADMM CC[C@H](CNC(=O)CCc1nn[n-]n1)Oc1cccc(C(F)(F)F)c1 ZINC000631660904 676950574 /nfs/dbraw/zinc/95/05/74/676950574.db2.gz AOSPEGXRQBSVGI-LLVKDONJSA-N -1 1 357.336 2.125 20 0 FEADMM COc1ccccc1N1CCC([N-]S(=O)(=O)c2cc(C)ns2)CC1 ZINC000631847462 676960137 /nfs/dbraw/zinc/96/01/37/676960137.db2.gz VPWABQAPXHPAQG-UHFFFAOYSA-N -1 1 367.496 2.407 20 0 FEADMM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1c[nH]nc1C(F)(F)F ZINC000632010200 676970403 /nfs/dbraw/zinc/97/04/03/676970403.db2.gz QOZRTQHVWPUUDL-SNVBAGLBSA-N -1 1 355.382 2.038 20 0 FEADMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632073865 676974273 /nfs/dbraw/zinc/97/42/73/676974273.db2.gz MPSCJGLGTPZZFW-ONGXEEELSA-N -1 1 355.382 2.158 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000632099007 676975645 /nfs/dbraw/zinc/97/56/45/676975645.db2.gz DNMUZHIKNORKDY-HIFRSBDPSA-N -1 1 365.451 2.234 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCN1c1cccnc1 ZINC000632203916 676981550 /nfs/dbraw/zinc/98/15/50/676981550.db2.gz ZXLXEJVXEICFQO-NSHDSACASA-N -1 1 371.365 2.086 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000632264391 676984451 /nfs/dbraw/zinc/98/44/51/676984451.db2.gz VHNYUIQQYUFUMQ-MBNYWOFBSA-N -1 1 370.471 2.175 20 0 FEADMM CCO[C@H](C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000632282596 676985559 /nfs/dbraw/zinc/98/55/59/676985559.db2.gz GYJFWDXHAOXNNS-LLVKDONJSA-N -1 1 363.361 2.485 20 0 FEADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cc12 ZINC000678478770 679730466 /nfs/dbraw/zinc/73/04/66/679730466.db2.gz GDHPEIWNOYSSEM-UHFFFAOYSA-N -1 1 358.423 2.403 20 0 FEADMM Cc1cc(C[C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n[nH]1 ZINC000632395387 676991853 /nfs/dbraw/zinc/99/18/53/676991853.db2.gz MJEJRZDTROOYAE-VIFPVBQESA-N -1 1 363.361 2.352 20 0 FEADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]Cc1nc(C(F)F)no1 ZINC000632480816 676996995 /nfs/dbraw/zinc/99/69/95/676996995.db2.gz YSFJXPFAQGRESJ-UHFFFAOYSA-N -1 1 355.725 2.419 20 0 FEADMM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1c[nH]nc1Cl ZINC000830143032 677027578 /nfs/dbraw/zinc/02/75/78/677027578.db2.gz HFDGRVGEXLTGNP-UHFFFAOYSA-N -1 1 369.752 2.483 20 0 FEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000830200891 677029864 /nfs/dbraw/zinc/02/98/64/677029864.db2.gz YIQSUTOLMODVGU-UHFFFAOYSA-N -1 1 362.455 2.312 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c1 ZINC000678614091 679735875 /nfs/dbraw/zinc/73/58/75/679735875.db2.gz XDFBVXBUAPHWNM-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)NCCc1ccccc1 ZINC000633382835 677045764 /nfs/dbraw/zinc/04/57/64/677045764.db2.gz VGCOKMFDRSEHIY-CYBMUJFWSA-N -1 1 360.841 2.452 20 0 FEADMM NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633419265 677047181 /nfs/dbraw/zinc/04/71/81/677047181.db2.gz MRGMJMOMGSIBET-IBGZPJMESA-N -1 1 358.825 2.244 20 0 FEADMM O=C(CCc1nn[n-]n1)N1CCC[C@@H]1Cc1ccccc1Br ZINC000633457704 677049496 /nfs/dbraw/zinc/04/94/96/677049496.db2.gz VGFWFTMRAGMBLR-GFCCVEGCSA-N -1 1 364.247 2.129 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1c[nH]nc1Cl ZINC000830627956 677051318 /nfs/dbraw/zinc/05/13/18/677051318.db2.gz QHYVNOPADXMLEZ-SECBINFHSA-N -1 1 369.752 2.094 20 0 FEADMM CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2c[n-]nc2Cl)c1 ZINC000830672270 677053943 /nfs/dbraw/zinc/05/39/43/677053943.db2.gz QTZZITGGTJULMF-UHFFFAOYSA-N -1 1 357.819 2.313 20 0 FEADMM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633563892 677055300 /nfs/dbraw/zinc/05/53/00/677055300.db2.gz UEFQTDHAEPMEBL-CQSZACIVSA-N -1 1 364.751 2.115 20 0 FEADMM Cn1ccnc1[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)CO ZINC000633603040 677056680 /nfs/dbraw/zinc/05/66/80/677056680.db2.gz SCRBKJSQKJNWIK-OAHLLOKOSA-N -1 1 351.834 2.198 20 0 FEADMM CC[C@H](C)CC[C@H](O)CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801162 677061533 /nfs/dbraw/zinc/06/15/33/677061533.db2.gz IPRHKAPLYYNSNB-SLEUVZQESA-N -1 1 352.397 2.233 20 0 FEADMM CO/C(=C\c1ccccc1)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830807630 677061923 /nfs/dbraw/zinc/06/19/23/677061923.db2.gz NPEGXEAHBZFZRD-DDKJEQMHSA-N -1 1 356.344 2.343 20 0 FEADMM CC[C@@H]1C[C@@H](CC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000830807605 677061959 /nfs/dbraw/zinc/06/19/59/677061959.db2.gz NDVSIAZFBYAOIX-ZOWXZIJZSA-N -1 1 350.381 2.251 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccsc2C(F)(F)F)o1 ZINC000633722796 677062338 /nfs/dbraw/zinc/06/23/38/677062338.db2.gz XXLNSOWYHFRLMN-UHFFFAOYSA-N -1 1 368.358 2.198 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000830832798 677063885 /nfs/dbraw/zinc/06/38/85/677063885.db2.gz JEXQRXJQNRKAFU-INIZCTEOSA-N -1 1 354.328 2.132 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000830834075 677064114 /nfs/dbraw/zinc/06/41/14/677064114.db2.gz WQTPVUXLZRJIBE-VILUFWDLSA-N -1 1 360.376 2.051 20 0 FEADMM Cc1ncc(C(F)(F)F)cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000634533752 677077028 /nfs/dbraw/zinc/07/70/28/677077028.db2.gz OHMDTZFLEZHHOG-SNVBAGLBSA-N -1 1 359.348 2.030 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c1 ZINC000634787018 677082121 /nfs/dbraw/zinc/08/21/21/677082121.db2.gz GJOFMWPIPDFFRT-KRWDZBQOSA-N -1 1 373.471 2.038 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)nnn3C)cc(OC)c1C ZINC000634793056 677082801 /nfs/dbraw/zinc/08/28/01/677082801.db2.gz UDGZCUDUODJAPK-UHFFFAOYSA-N -1 1 362.411 2.095 20 0 FEADMM CN(C(=O)CCCc1nn[n-]n1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000636182902 677115030 /nfs/dbraw/zinc/11/50/30/677115030.db2.gz QMNPTFYVUOOJPG-LLVKDONJSA-N -1 1 358.229 2.021 20 0 FEADMM COc1cc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)sn1 ZINC000641374538 677203402 /nfs/dbraw/zinc/20/34/02/677203402.db2.gz XMYZLHAYZICQLR-UHFFFAOYSA-N -1 1 370.349 2.328 20 0 FEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CCO)c2)c1 ZINC000641689431 677214007 /nfs/dbraw/zinc/21/40/07/677214007.db2.gz IKJYCYIELJIMMT-UHFFFAOYSA-N -1 1 362.451 2.114 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC000641703968 677214465 /nfs/dbraw/zinc/21/44/65/677214465.db2.gz AEWWSVODQOHBCE-JSGCOSHPSA-N -1 1 363.357 2.401 20 0 FEADMM COc1ccc(O)c(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000641894864 677217054 /nfs/dbraw/zinc/21/70/54/677217054.db2.gz HDJDTGHHDPROMW-UHFFFAOYSA-N -1 1 366.395 2.033 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 ZINC000642990878 677222632 /nfs/dbraw/zinc/22/26/32/677222632.db2.gz JITOFUJPKWYCDZ-SWLSCSKDSA-N -1 1 352.456 2.477 20 0 FEADMM O=S1(=O)CCCC[C@H]1CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1 ZINC000645209796 677255695 /nfs/dbraw/zinc/25/56/95/677255695.db2.gz NSJZAAKWPGVQLT-LBPRGKRZSA-N -1 1 359.423 2.284 20 0 FEADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645586904 677264987 /nfs/dbraw/zinc/26/49/87/677264987.db2.gz UUTGWVRCUIXOJV-SNVBAGLBSA-N -1 1 366.386 2.482 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H](C)CC(F)F)cc1[N-]S(C)(=O)=O ZINC000645674778 677268222 /nfs/dbraw/zinc/26/82/22/677268222.db2.gz ZLWKTNAHHNCYFI-VIFPVBQESA-N -1 1 365.402 2.480 20 0 FEADMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C12CCC2 ZINC000645756175 677270738 /nfs/dbraw/zinc/27/07/38/677270738.db2.gz YTVLKSBGILUPRA-GHMZBOCLSA-N -1 1 350.362 2.336 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2cn3c(cccc3C)n2)sc1C ZINC000645895782 677274485 /nfs/dbraw/zinc/27/44/85/677274485.db2.gz MCXAICLUCROKGF-UHFFFAOYSA-N -1 1 350.469 2.237 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCO[C@@H]2C[C@@H]21 ZINC000646745719 677289809 /nfs/dbraw/zinc/28/98/09/677289809.db2.gz IDUCNICFGFCLPM-DLBZAZTESA-N -1 1 358.419 2.101 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(Cl)c1)C(C)C ZINC000647125177 677295542 /nfs/dbraw/zinc/29/55/42/677295542.db2.gz DGASSWBYNBRNCC-CQSZACIVSA-N -1 1 362.879 2.455 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc2n[nH]cc2cc1C)C1CCOCC1 ZINC000647126657 677295599 /nfs/dbraw/zinc/29/55/99/677295599.db2.gz RQODGTVFXVHYRZ-INIZCTEOSA-N -1 1 353.444 2.055 20 0 FEADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)CCCC2CCOCC2)nc1 ZINC000647270337 677299085 /nfs/dbraw/zinc/29/90/85/677299085.db2.gz WZIVPAXOQRMNMY-UHFFFAOYSA-N -1 1 367.471 2.157 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc2cnccc21)C1CCOCC1 ZINC000647277201 677299476 /nfs/dbraw/zinc/29/94/76/677299476.db2.gz MPXUFXFLZOQBCI-KRWDZBQOSA-N -1 1 350.440 2.418 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)[nH]nc1C(C)C ZINC000647278955 677299484 /nfs/dbraw/zinc/29/94/84/677299484.db2.gz ZSGVNBPQFZCNMG-UHFFFAOYSA-N -1 1 350.444 2.344 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)[nH]nc1C(C)C ZINC000647279112 677299500 /nfs/dbraw/zinc/29/95/00/677299500.db2.gz OHHRBHZIQYZNGR-UHFFFAOYSA-N -1 1 357.457 2.046 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)o1 ZINC000648586686 677317884 /nfs/dbraw/zinc/31/78/84/677317884.db2.gz WQYYPXDTRHJVMZ-TXEJJXNPSA-N -1 1 372.487 2.432 20 0 FEADMM O=S(=O)([N-]C1CCC(OC(F)F)CC1)c1nc[nH]c1Br ZINC000867367405 684260191 /nfs/dbraw/zinc/26/01/91/684260191.db2.gz OLUCRIZSCZTCCG-UHFFFAOYSA-N -1 1 374.207 2.001 20 0 FEADMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3c[nH]nc3C)n2)cc1 ZINC000760630807 680695771 /nfs/dbraw/zinc/69/57/71/680695771.db2.gz XQWKJOWAUFXEKT-LLVKDONJSA-N -1 1 361.427 2.370 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCCO2)c1ccco1 ZINC000651588609 677436105 /nfs/dbraw/zinc/43/61/05/677436105.db2.gz XJZBOAZKLKESHB-GFCCVEGCSA-N -1 1 353.396 2.107 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000654343155 677575521 /nfs/dbraw/zinc/57/55/21/677575521.db2.gz FWVRKRBQHHDGHW-WCQYABFASA-N -1 1 363.357 2.203 20 0 FEADMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000655622077 677654347 /nfs/dbraw/zinc/65/43/47/677654347.db2.gz JJNOYLOOQDJBJA-LLVKDONJSA-N -1 1 362.662 2.323 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000761342334 680720456 /nfs/dbraw/zinc/72/04/56/680720456.db2.gz JDQVYIQHVGNPJH-MLRMMBSGSA-N -1 1 353.774 2.427 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(N)=O)c(Cl)c1)C1CCCC1 ZINC000656615452 677783157 /nfs/dbraw/zinc/78/31/57/677783157.db2.gz AELQAXONRRUGQA-CQSZACIVSA-N -1 1 360.863 2.386 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc(-n2ccccc2=O)cc1F ZINC000656633806 677797231 /nfs/dbraw/zinc/79/72/31/677797231.db2.gz OGSLTUSAOXLXAU-UHFFFAOYSA-N -1 1 354.403 2.143 20 0 FEADMM COc1nccc2c([N-]S(=O)(=O)C[C@@H](OC)[C@H]3CCOC3)cccc21 ZINC000656733758 677822500 /nfs/dbraw/zinc/82/25/00/677822500.db2.gz FGWXFFLPHWVKAN-BLLLJJGKSA-N -1 1 366.439 2.037 20 0 FEADMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656916075 677866464 /nfs/dbraw/zinc/86/64/64/677866464.db2.gz BAEKSERDXSXKCP-SECBINFHSA-N -1 1 351.266 2.326 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)C1CCCCC1 ZINC000656974491 677894779 /nfs/dbraw/zinc/89/47/79/677894779.db2.gz GUZWAMJIDFGIQT-SNVBAGLBSA-N -1 1 371.381 2.103 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F)C1CC1 ZINC000657083284 677939485 /nfs/dbraw/zinc/93/94/85/677939485.db2.gz VBNICBOXNUTBQL-STQMWFEESA-N -1 1 359.410 2.221 20 0 FEADMM COCCn1cc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cn1 ZINC000663261857 678710679 /nfs/dbraw/zinc/71/06/79/678710679.db2.gz NIVYZZCONGSIEG-CQSZACIVSA-N -1 1 357.332 2.464 20 0 FEADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)n2C)c1 ZINC000765051266 680828966 /nfs/dbraw/zinc/82/89/66/680828966.db2.gz KZOQAKWJLPJZGG-UHFFFAOYSA-N -1 1 363.226 2.486 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000765179368 680833871 /nfs/dbraw/zinc/83/38/71/680833871.db2.gz DAUGPFATHYGQEE-QDZRJHCZSA-N -1 1 351.346 2.379 20 0 FEADMM Cc1nsc(N2CCN(C(=O)c3ncc4ccccc4c3[O-])CC2)n1 ZINC000669215584 679222366 /nfs/dbraw/zinc/22/23/66/679222366.db2.gz ZUDATRSBCMJXRF-UHFFFAOYSA-N -1 1 355.423 2.063 20 0 FEADMM O=C(CSc1nc2ccccc2o1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670405289 679282041 /nfs/dbraw/zinc/28/20/41/679282041.db2.gz ZPQCNWDTQXFVNH-UHFFFAOYSA-N -1 1 360.395 2.415 20 0 FEADMM O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670405026 679282197 /nfs/dbraw/zinc/28/21/97/679282197.db2.gz KEXVESGVPWWHNI-LBPRGKRZSA-N -1 1 363.801 2.386 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccccc3C(F)(F)F)ccnc1-2 ZINC000671065858 679309192 /nfs/dbraw/zinc/30/91/92/679309192.db2.gz UMICUUZWBHMQEZ-UHFFFAOYSA-N -1 1 356.329 2.161 20 0 FEADMM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672209660 679363880 /nfs/dbraw/zinc/36/38/80/679363880.db2.gz WZQVDZHAIZXYQP-AAEUAGOBSA-N -1 1 358.360 2.346 20 0 FEADMM C[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(Br)cc1 ZINC000765494173 680844038 /nfs/dbraw/zinc/84/40/38/680844038.db2.gz KGOUGTKNSDOYRY-VIFPVBQESA-N -1 1 354.204 2.108 20 0 FEADMM CO[C@H](C)c1nc(C)c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)s1 ZINC000674134662 679472083 /nfs/dbraw/zinc/47/20/83/679472083.db2.gz ZPECDIRYSXPWAR-PWSUYJOCSA-N -1 1 358.427 2.191 20 0 FEADMM O=C(c1cccc(Br)c1[O-])N1CCC(c2nc[nH]n2)CC1 ZINC000674366953 679485179 /nfs/dbraw/zinc/48/51/79/679485179.db2.gz SIMBWIIUUOWYSP-UHFFFAOYSA-N -1 1 351.204 2.293 20 0 FEADMM COc1ccc(NC(=O)N(C)c2c(C)noc2C)cc1[N-]S(C)(=O)=O ZINC000675369464 679545200 /nfs/dbraw/zinc/54/52/00/679545200.db2.gz YAIFFGGQJBSECG-UHFFFAOYSA-N -1 1 368.415 2.340 20 0 FEADMM O=C([O-])c1ccc(N2CCN(C(=O)c3n[nH]cc3C(F)(F)F)CC2)s1 ZINC000911768259 685258117 /nfs/dbraw/zinc/25/81/17/685258117.db2.gz ATUBPYIUSWRZOF-UHFFFAOYSA-N -1 1 374.344 2.151 20 0 FEADMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1 ZINC000747616513 679892730 /nfs/dbraw/zinc/89/27/30/679892730.db2.gz CQXMKYMXDZPAOX-JXMROGBWSA-N -1 1 361.419 2.474 20 0 FEADMM C[C@H](CSc1ccccc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000830958780 679901010 /nfs/dbraw/zinc/90/10/10/679901010.db2.gz DUTIMINNNZVWCH-GFCCVEGCSA-N -1 1 359.451 2.300 20 0 FEADMM Cc1ccc(F)c2[nH]c(C(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)cc21 ZINC000831118015 679927274 /nfs/dbraw/zinc/92/72/74/679927274.db2.gz ZEEGTLJZFKVLSB-UHFFFAOYSA-N -1 1 357.307 2.366 20 0 FEADMM O=C(CCC[C@H](O)c1ccccc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831121913 679927980 /nfs/dbraw/zinc/92/79/80/679927980.db2.gz QNZIBXMGGOEPQH-AWEZNQCLSA-N -1 1 358.360 2.027 20 0 FEADMM CCC(CC)n1nc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000831134361 679929830 /nfs/dbraw/zinc/92/98/30/679929830.db2.gz KNRRGMHLQUVKCE-UHFFFAOYSA-N -1 1 360.380 2.303 20 0 FEADMM O=C([N-]CC1CN(C(=O)[C@@H]2SCCc3sccc32)C1)C(F)(F)F ZINC000831140477 679931863 /nfs/dbraw/zinc/93/18/63/679931863.db2.gz YECVOLVSFYOGMC-LLVKDONJSA-N -1 1 364.414 2.215 20 0 FEADMM COc1ccccc1/C(C)=C\C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831149170 679934385 /nfs/dbraw/zinc/93/43/85/679934385.db2.gz JOKFXBRMMFYMGT-XFFZJAGNSA-N -1 1 356.344 2.235 20 0 FEADMM Cc1ccc(OCCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000831154546 679935958 /nfs/dbraw/zinc/93/59/58/679935958.db2.gz VVLNDPXZRCYPOT-UHFFFAOYSA-N -1 1 358.360 2.209 20 0 FEADMM CC(C)OCc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000831157800 679936730 /nfs/dbraw/zinc/93/67/30/679936730.db2.gz ALNDFBLWPGSEGI-UHFFFAOYSA-N -1 1 358.360 2.362 20 0 FEADMM CSC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000831243871 679953518 /nfs/dbraw/zinc/95/35/18/679953518.db2.gz PTBDGMCKTHZMGW-UHFFFAOYSA-N -1 1 358.485 2.257 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H](C1CC1)C1(CO)CCOCC1 ZINC000911981109 685293751 /nfs/dbraw/zinc/29/37/51/685293751.db2.gz LVKYWFQGUXCFBI-QGZVFWFLSA-N -1 1 353.846 2.272 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)o1 ZINC000831971175 680069065 /nfs/dbraw/zinc/06/90/65/680069065.db2.gz KLCPFZTWWHZFOQ-JTQLQIEISA-N -1 1 368.402 2.415 20 0 FEADMM COc1cc(N)c(Cl)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000832053975 680082914 /nfs/dbraw/zinc/08/29/14/680082914.db2.gz HPOSLHFWPCCZTE-UHFFFAOYSA-N -1 1 352.778 2.039 20 0 FEADMM COC(=O)c1ccc([C@@H](C)OC(=O)c2sccc2[N-]S(C)(=O)=O)o1 ZINC000750333502 680110971 /nfs/dbraw/zinc/11/09/71/680110971.db2.gz KYAQWHOUOSVWKD-MRVPVSSYSA-N -1 1 373.408 2.417 20 0 FEADMM Cc1cc(NC(=O)COC(=O)c2ccc(Br)c([O-])c2)no1 ZINC000750551292 680122012 /nfs/dbraw/zinc/12/20/12/680122012.db2.gz LMYKMPGPOMFBSD-UHFFFAOYSA-N -1 1 355.144 2.247 20 0 FEADMM O=C(Cc1ccsc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000976201366 680122838 /nfs/dbraw/zinc/12/28/38/680122838.db2.gz YFELUXAXEKUJPS-ZIAGYGMSSA-N -1 1 359.451 2.249 20 0 FEADMM CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)co1 ZINC000832472877 680137896 /nfs/dbraw/zinc/13/78/96/680137896.db2.gz FJNSNFZLUNJHGM-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM CCCOc1ccc(OS(=O)(=O)c2n[n-]c(C)c2C(=O)OCC)cc1 ZINC000750956923 680142339 /nfs/dbraw/zinc/14/23/39/680142339.db2.gz 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CO[C@@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)CC(C)C ZINC000841593115 680902514 /nfs/dbraw/zinc/90/25/14/680902514.db2.gz XTDKJJGCCOXZBJ-CYBMUJFWSA-N -1 1 367.412 2.148 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2cccc(C)c2)c(F)c1 ZINC000767853466 680930315 /nfs/dbraw/zinc/93/03/15/680930315.db2.gz ZMTMDVWKNAYYPD-HNNXBMFYSA-N -1 1 357.378 2.294 20 0 FEADMM NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Cl)cc(F)c1[O-])C(=O)N2 ZINC000768267334 680942350 /nfs/dbraw/zinc/94/23/50/680942350.db2.gz BPNHSWXEKQFIPL-WCIBSUBMSA-N -1 1 368.773 2.325 20 0 FEADMM CC(C)C[C@@H](N)c1noc(CCn2c(=O)c3ccccc3[n-]c2=S)n1 ZINC000842590440 680953764 /nfs/dbraw/zinc/95/37/64/680953764.db2.gz ZAGTUICXLNXLJT-GFCCVEGCSA-N -1 1 359.455 2.357 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H](C)CCC2CC2)c(=O)[nH]c1=O ZINC000768920077 680964879 /nfs/dbraw/zinc/96/48/79/680964879.db2.gz LGOZYLFEVNIUBW-CYBMUJFWSA-N -1 1 371.503 2.386 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ncc(Br)cc1F)C1CC1 ZINC000842795107 680967277 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CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2F)cn1C ZINC000769890020 680998759 /nfs/dbraw/zinc/99/87/59/680998759.db2.gz LKZUQEZVUOHARD-UHFFFAOYSA-N -1 1 356.375 2.150 20 0 FEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1c2ccccc2CCC[C@H]1C ZINC000912546319 685395175 /nfs/dbraw/zinc/39/51/75/685395175.db2.gz DMNUISJEMILQRB-ABAIWWIYSA-N -1 1 363.439 2.188 20 0 FEADMM O=C([O-])CCCC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000844250690 681046695 /nfs/dbraw/zinc/04/66/95/681046695.db2.gz VTGPSFJWFKUNNX-UHFFFAOYSA-N -1 1 367.203 2.105 20 0 FEADMM O=C([O-])CCCC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000844250690 681046698 /nfs/dbraw/zinc/04/66/98/681046698.db2.gz VTGPSFJWFKUNNX-UHFFFAOYSA-N -1 1 367.203 2.105 20 0 FEADMM COC(=O)NCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000771232787 681048001 /nfs/dbraw/zinc/04/80/01/681048001.db2.gz ZWGJHJXUIPLJRA-UHFFFAOYSA-N -1 1 372.175 2.112 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OC)c(O)c1 ZINC000771563787 681059893 /nfs/dbraw/zinc/05/98/93/681059893.db2.gz 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370.247 2.312 20 0 FEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000905196037 691078211 /nfs/dbraw/zinc/07/82/11/691078211.db2.gz HVFOYQJVVIMSNM-YPMHNXCESA-N -1 1 372.462 2.231 20 0 FEADMM CC(=O)NCCCCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000905252621 691089547 /nfs/dbraw/zinc/08/95/47/691089547.db2.gz MHEPAKSGMZQRFQ-UHFFFAOYSA-N -1 1 353.419 2.296 20 0 FEADMM CC(=O)NCCCCCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000905252621 691089549 /nfs/dbraw/zinc/08/95/49/691089549.db2.gz MHEPAKSGMZQRFQ-UHFFFAOYSA-N -1 1 353.419 2.296 20 0 FEADMM O=C([O-])c1cnc(CCNCc2c(F)cncc2Br)s1 ZINC000905740337 691171109 /nfs/dbraw/zinc/17/11/09/691171109.db2.gz IFMJEEOZBNRJGP-UHFFFAOYSA-N -1 1 360.208 2.470 20 0 FEADMM O=C([O-])c1cnc([C@H]2CCN(Cc3cnnn3-c3ccccc3)C2)s1 ZINC000905748803 691172002 /nfs/dbraw/zinc/17/20/02/691172002.db2.gz JWJDARIGXPOMOJ-LBPRGKRZSA-N -1 1 355.423 2.412 20 0 FEADMM C[S@@](=O)(=NS(=O)(=O)[N-]c1cnc2c(c1)COCC2)C1CCCCC1 ZINC000906062568 691224767 /nfs/dbraw/zinc/22/47/67/691224767.db2.gz PNIWYLUIDNPRFI-QHCPKHFHSA-N -1 1 373.500 2.242 20 0 FEADMM CC(C)N1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000906931670 691347300 /nfs/dbraw/zinc/34/73/00/691347300.db2.gz MAEGJECUJKQLJZ-LBPRGKRZSA-N -1 1 360.863 2.189 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000907042807 691378634 /nfs/dbraw/zinc/37/86/34/691378634.db2.gz ZVTCRWDBUDYXSM-CQSZACIVSA-N -1 1 354.472 2.092 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CCN2C2CCCCC2)c1F ZINC000907054534 691382540 /nfs/dbraw/zinc/38/25/40/691382540.db2.gz YKHSRYMAOODPAE-CYBMUJFWSA-N -1 1 370.446 2.209 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCN2C2CCCC2)cc1C(=O)[O-] ZINC000907061958 691383640 /nfs/dbraw/zinc/38/36/40/691383640.db2.gz GIPSGGFOYWXHCR-HNNXBMFYSA-N -1 1 366.483 2.297 20 0 FEADMM O=C(CC(F)(F)C(F)F)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000907414203 691475254 /nfs/dbraw/zinc/47/52/54/691475254.db2.gz UHCKUODAJYUSOS-VIFPVBQESA-N -1 1 369.681 2.488 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CCC(C)(C)CO2)c(C(F)(F)F)n1 ZINC000907459668 691488277 /nfs/dbraw/zinc/48/82/77/691488277.db2.gz LOQBFORPOFXFBK-JTQLQIEISA-N -1 1 369.409 2.313 20 0 FEADMM Cc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1-n1cccc1 ZINC000907474966 691493873 /nfs/dbraw/zinc/49/38/73/691493873.db2.gz IUPBSTTYRDTSLI-HNNXBMFYSA-N -1 1 354.439 2.229 20 0 FEADMM O=C(c1cc2c(cccc2C2CC2)[nH]1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475405 691494736 /nfs/dbraw/zinc/49/47/36/691494736.db2.gz JPKAYDSONUSAJL-OAHLLOKOSA-N -1 1 354.439 2.489 20 0 FEADMM CCOc1ccc(C[C@@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907480650 691497210 /nfs/dbraw/zinc/49/72/10/691497210.db2.gz PWZPGHRGBQPXKT-IUODEOHRSA-N -1 1 361.471 2.094 20 0 FEADMM O=S(=O)([N-][C@H](CCO)C1CCCC1)c1ccc(Br)o1 ZINC000907820219 691565476 /nfs/dbraw/zinc/56/54/76/691565476.db2.gz FQZQCEWMWNSDQN-SNVBAGLBSA-N -1 1 352.250 2.262 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2C)[n-]c1=O ZINC000908016943 691598839 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CCN(CC)[C@@H](CNC(=O)N[C@@H](CF)C(=O)[O-])c1ccccc1Cl ZINC000908749513 691722221 /nfs/dbraw/zinc/72/22/21/691722221.db2.gz TWHASLFYRMTXPI-KBPBESRZSA-N -1 1 359.829 2.445 20 0 FEADMM COc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000908774793 691727920 /nfs/dbraw/zinc/72/79/20/691727920.db2.gz XAQODIYWRRGHNA-SNVBAGLBSA-N -1 1 371.231 2.193 20 0 FEADMM Cc1nc2c(s1)[C@H](N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1)CCC2 ZINC000908800193 691732471 /nfs/dbraw/zinc/73/24/71/691732471.db2.gz OPRKBDHJINYCOT-GXTWGEPZSA-N -1 1 351.472 2.084 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)c1ccc(F)cc1 ZINC000908819358 691735325 /nfs/dbraw/zinc/73/53/25/691735325.db2.gz LOVGHAJYNVFXIY-AWEZNQCLSA-N -1 1 369.462 2.078 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N[C@@](C)(CCF)C(=O)[O-])N2CCCC2)o1 ZINC000908926389 691753812 /nfs/dbraw/zinc/75/38/12/691753812.db2.gz OZQTWVRJOPHAFX-DYVFJYSZSA-N -1 1 355.410 2.227 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909123409 691781941 /nfs/dbraw/zinc/78/19/41/691781941.db2.gz VXEPFXQFMHFTSE-CJNGLKHVSA-N -1 1 359.829 2.445 20 0 FEADMM O=C([O-])[C@H]1CSCCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000910148345 691894784 /nfs/dbraw/zinc/89/47/84/691894784.db2.gz AOIXYSRDPIIXMJ-CQSZACIVSA-N -1 1 357.435 2.137 20 0 FEADMM COc1cccc(C(F)F)c1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000910178363 691897012 /nfs/dbraw/zinc/89/70/12/691897012.db2.gz AOZWNACHEOPFGQ-LLVKDONJSA-N -1 1 356.369 2.254 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001465114320 804140936 /nfs/dbraw/zinc/14/09/36/804140936.db2.gz FWSGCFFXUDPPCB-NEPJUHHUSA-N -1 1 351.346 2.090 20 0 FEADMM Cn1ccc([C@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C(=O)[O-])n1 ZINC000555851914 939306610 /nfs/dbraw/zinc/30/66/10/939306610.db2.gz PQPXPJGSTCEKKI-NSHDSACASA-N -1 1 364.312 2.181 20 0 FEADMM Cn1ccc([C@@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C(=O)[O-])n1 ZINC000555851913 939306823 /nfs/dbraw/zinc/30/68/23/939306823.db2.gz PQPXPJGSTCEKKI-LLVKDONJSA-N -1 1 364.312 2.181 20 0 FEADMM CCc1csc(CC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)n1 ZINC000549100555 674016682 /nfs/dbraw/zinc/01/66/82/674016682.db2.gz DSNBMSRZFAJXND-UHFFFAOYSA-N -1 1 369.468 2.267 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)[C@@H](C)C(=O)[O-] ZINC000566662910 675232533 /nfs/dbraw/zinc/23/25/33/675232533.db2.gz SEJOTNPRCOJUAK-PHDIDXHHSA-N -1 1 372.187 2.115 20 0 FEADMM O=C(NC[C@H]1CCCCO1)c1ccc(I)c([O-])c1 ZINC000230890606 548761272 /nfs/dbraw/zinc/76/12/72/548761272.db2.gz XZWOUILJYAVPAG-SNVBAGLBSA-N -1 1 361.179 2.296 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)n1 ZINC000011443683 539528504 /nfs/dbraw/zinc/52/85/04/539528504.db2.gz DLTSLSCXZQXZJW-INIZCTEOSA-N -1 1 373.478 2.131 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000016101073 539627359 /nfs/dbraw/zinc/62/73/59/539627359.db2.gz CMLWVOMZKITOHO-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000024224536 539728444 /nfs/dbraw/zinc/72/84/44/539728444.db2.gz KLYICZDYVPKMTI-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM O=C(N=c1[n-]nc(-c2c(F)cccc2Cl)s1)NC[C@H]1COCCN1 ZINC000528691225 539773834 /nfs/dbraw/zinc/77/38/34/539773834.db2.gz SCNGABMUTQILJG-QMMMGPOBSA-N -1 1 371.825 2.108 20 0 FEADMM COC(=O)c1cn(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc12 ZINC000026253910 539780950 /nfs/dbraw/zinc/78/09/50/539780950.db2.gz KMBJDGNVNPGQDB-UHFFFAOYSA-N -1 1 367.287 2.204 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c([O-])c1 ZINC000031143336 539898923 /nfs/dbraw/zinc/89/89/23/539898923.db2.gz VGMCERKYJTYMMK-UHFFFAOYSA-N -1 1 354.362 2.302 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1C ZINC000032631958 539946208 /nfs/dbraw/zinc/94/62/08/539946208.db2.gz SXNRIYYBJSCWAO-UHFFFAOYSA-N -1 1 364.423 2.173 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)o1 ZINC000032927679 539959259 /nfs/dbraw/zinc/95/92/59/539959259.db2.gz QRWWYMQIUUBOOP-INIZCTEOSA-N -1 1 366.439 2.323 20 0 FEADMM C[C@H]1c2cccn2CCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000033016894 539964001 /nfs/dbraw/zinc/96/40/01/539964001.db2.gz IAXGNJQLFCSZHW-LBPRGKRZSA-N -1 1 365.455 2.375 20 0 FEADMM C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000035611155 539984243 /nfs/dbraw/zinc/98/42/43/539984243.db2.gz SCIDOCQXJIMNLC-RXMQYKEDSA-N -1 1 363.060 2.415 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)s1 ZINC000800929182 674090614 /nfs/dbraw/zinc/09/06/14/674090614.db2.gz KUBRTSBUJDQQRL-UHFFFAOYSA-N -1 1 357.844 2.107 20 0 FEADMM COc1ccccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000042091328 540050473 /nfs/dbraw/zinc/05/04/73/540050473.db2.gz JQTGLTGWKYBBMT-UHFFFAOYSA-N -1 1 350.378 2.330 20 0 FEADMM O=C(NCCn1ccnc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000042756723 540077288 /nfs/dbraw/zinc/07/72/88/540077288.db2.gz PLHWVZZTGQPJGY-UHFFFAOYSA-N -1 1 370.434 2.114 20 0 FEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000044254300 540121164 /nfs/dbraw/zinc/12/11/64/540121164.db2.gz XKOHFYGDTZSVOH-UHFFFAOYSA-N -1 1 351.449 2.380 20 0 FEADMM CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801823 540141725 /nfs/dbraw/zinc/14/17/25/540141725.db2.gz CVGUPQKQPADWJA-NWDGAFQWSA-N -1 1 357.476 2.172 20 0 FEADMM O=C(NCc1ccccc1N1CCOCC1)c1csc(=NC2CC2)[n-]1 ZINC000533181743 540211805 /nfs/dbraw/zinc/21/18/05/540211805.db2.gz PHMZRTICGSXWKA-UHFFFAOYSA-N -1 1 358.467 2.484 20 0 FEADMM CN(C)[C@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccsc1 ZINC000045444107 540213287 /nfs/dbraw/zinc/21/32/87/540213287.db2.gz HKOULLPCXFDZMS-OAHLLOKOSA-N -1 1 367.496 2.152 20 0 FEADMM O=C(CN1CCCC1=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119744 540290459 /nfs/dbraw/zinc/29/04/59/540290459.db2.gz SZUBMKQHNVZXHD-UHFFFAOYSA-N -1 1 373.434 2.048 20 0 FEADMM COc1ccnc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)n1 ZINC000047693962 540325095 /nfs/dbraw/zinc/32/50/95/540325095.db2.gz JAHBRTPYLKBBQW-UHFFFAOYSA-N -1 1 364.405 2.306 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)o1 ZINC000048107569 540345416 /nfs/dbraw/zinc/34/54/16/540345416.db2.gz YDGXDQPTWHEIQV-MRXNPFEDSA-N -1 1 360.391 2.300 20 0 FEADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccnc1 ZINC000048101198 540345460 /nfs/dbraw/zinc/34/54/60/540345460.db2.gz CZSVDZZHOWZJFL-NSHDSACASA-N -1 1 351.428 2.242 20 0 FEADMM COc1cc(NC(=O)c2cnn(C(C)(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000052609819 540477311 /nfs/dbraw/zinc/47/73/11/540477311.db2.gz WNBNAZDWNLRWBW-UHFFFAOYSA-N -1 1 366.443 2.271 20 0 FEADMM O=C(NCCCN1CCCC1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000054951039 540618019 /nfs/dbraw/zinc/61/80/19/540618019.db2.gz FPNITEFJUPYQGK-UHFFFAOYSA-N -1 1 373.453 2.009 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3nccnc3c2)c(=O)[n-]1 ZINC000055443474 540653471 /nfs/dbraw/zinc/65/34/71/540653471.db2.gz LXRUIFXFXWRZBL-UHFFFAOYSA-N -1 1 355.423 2.315 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1 ZINC000055546191 540658160 /nfs/dbraw/zinc/65/81/60/540658160.db2.gz HWXYWRWHMYMDMM-UHFFFAOYSA-N -1 1 360.435 2.369 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(C)c1 ZINC000055651856 540667854 /nfs/dbraw/zinc/66/78/54/540667854.db2.gz FHPXSYGZACDFJX-UHFFFAOYSA-N -1 1 360.435 2.480 20 0 FEADMM CCNC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000056061605 540697963 /nfs/dbraw/zinc/69/79/63/540697963.db2.gz DRNHLXCETIRXQE-UHFFFAOYSA-N -1 1 354.378 2.193 20 0 FEADMM Cc1nccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000057074623 540767242 /nfs/dbraw/zinc/76/72/42/540767242.db2.gz KOVGYFJFXUWANI-UHFFFAOYSA-N -1 1 354.410 2.295 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccncc1Cl)c1csc(=NC2CC2)[n-]1 ZINC000537731447 540766343 /nfs/dbraw/zinc/76/63/43/540766343.db2.gz SWTLOCSZBBZNOC-SNVBAGLBSA-N -1 1 366.874 2.347 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000060362437 541107993 /nfs/dbraw/zinc/10/79/93/541107993.db2.gz XWEBGARYCLJLGD-UHFFFAOYSA-N -1 1 362.363 2.074 20 0 FEADMM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060367174 541108494 /nfs/dbraw/zinc/10/84/94/541108494.db2.gz ZVUQEOOKRUWSRP-UHFFFAOYSA-N -1 1 358.278 2.372 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000060380374 541109338 /nfs/dbraw/zinc/10/93/38/541109338.db2.gz BXBMGFBMTLLWMH-UHFFFAOYSA-N -1 1 351.395 2.392 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000060380374 541109341 /nfs/dbraw/zinc/10/93/41/541109341.db2.gz BXBMGFBMTLLWMH-UHFFFAOYSA-N -1 1 351.395 2.392 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000062930640 541155193 /nfs/dbraw/zinc/15/51/93/541155193.db2.gz GJASTWVMSOLDIP-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2n(C)c1=O ZINC000064477765 541207608 /nfs/dbraw/zinc/20/76/08/541207608.db2.gz WRXNNTALAJMHKU-UHFFFAOYSA-N -1 1 357.435 2.167 20 0 FEADMM CCn1c(CNC(=O)CN2c3ccsc3CCCC2=O)n[n-]c1=S ZINC000066636901 541351427 /nfs/dbraw/zinc/35/14/27/541351427.db2.gz PFVPTQIIQUDHFV-UHFFFAOYSA-N -1 1 365.484 2.008 20 0 FEADMM CCn1c(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)n[n-]c1=S ZINC000066636701 541351724 /nfs/dbraw/zinc/35/17/24/541351724.db2.gz JTRRMXOMIUJOLM-OAHLLOKOSA-N -1 1 373.482 2.113 20 0 FEADMM Cc1nc(-c2ncccn2)sc1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637576 541352182 /nfs/dbraw/zinc/35/21/82/541352182.db2.gz KQOLWSQPIFOOPV-UHFFFAOYSA-N -1 1 373.467 2.428 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnc([C@H](C)OCC)s1 ZINC000542198916 541355732 /nfs/dbraw/zinc/35/57/32/541355732.db2.gz GDZFNLVYQGRJNX-VIFPVBQESA-N -1 1 352.416 2.403 20 0 FEADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067071771 541414148 /nfs/dbraw/zinc/41/41/48/541414148.db2.gz HYICRJMYBVLVEB-OAHLLOKOSA-N -1 1 373.482 2.111 20 0 FEADMM CCn1c(CCNC(=O)c2cnc3c(cnn3C(C)C)c2)n[n-]c1=S ZINC000067075895 541414635 /nfs/dbraw/zinc/41/46/35/541414635.db2.gz GNEUBTROGVWRLA-UHFFFAOYSA-N -1 1 359.459 2.259 20 0 FEADMM CCN(C)C(=O)c1cccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067079165 541414653 /nfs/dbraw/zinc/41/46/53/541414653.db2.gz NFGNMGQKQKUKMC-UHFFFAOYSA-N -1 1 373.482 2.340 20 0 FEADMM CCn1c(CCNC(=O)c2cn(-c3ccccc3)nc2C)n[n-]c1=S ZINC000067075255 541414714 /nfs/dbraw/zinc/41/47/14/541414714.db2.gz JHBUTOSMJRBSET-UHFFFAOYSA-N -1 1 356.455 2.427 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cccc(C[S@@](C)=O)c2)n[n-]c1=S ZINC000067075094 541415153 /nfs/dbraw/zinc/41/51/53/541415153.db2.gz DDCPZUWQSPEWFB-DEOSSOPVSA-N -1 1 366.512 2.373 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1S(N)(=O)=O ZINC000067124691 541420554 /nfs/dbraw/zinc/42/05/54/541420554.db2.gz HFYZWXSKLIRJQC-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(OC(F)F)cc1 ZINC000550792030 674110501 /nfs/dbraw/zinc/11/05/01/674110501.db2.gz IRXVYNYJCBWBFV-CYBMUJFWSA-N -1 1 352.293 2.033 20 0 FEADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000068216444 541563995 /nfs/dbraw/zinc/56/39/95/541563995.db2.gz DHJPNGHMQFRMCH-JTQLQIEISA-N -1 1 360.391 2.078 20 0 FEADMM Cc1cccc(OCCNC(=O)[C@@H](C)S(=O)(=O)c2ccc([O-])cc2)c1 ZINC000069163564 541664876 /nfs/dbraw/zinc/66/48/76/541664876.db2.gz BYCPGXTWZNXTRL-CQSZACIVSA-N -1 1 363.435 2.058 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)n[n-]c1=S ZINC000069702906 541706123 /nfs/dbraw/zinc/70/61/23/541706123.db2.gz IKDHCGHHYHKHFJ-LBPRGKRZSA-N -1 1 367.381 2.048 20 0 FEADMM CC(C)N1CC[C@@H](OC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1=O ZINC000801357609 674124080 /nfs/dbraw/zinc/12/40/80/674124080.db2.gz BXDCLCWXSSIXTM-CQSZACIVSA-N -1 1 363.801 2.397 20 0 FEADMM O=C(COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])NCC1CCC1 ZINC000801362816 674124442 /nfs/dbraw/zinc/12/44/42/674124442.db2.gz SZOWWCGFXLFWFX-UHFFFAOYSA-N -1 1 363.801 2.304 20 0 FEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@H]1CCCOC1 ZINC000801373409 674124763 /nfs/dbraw/zinc/12/47/63/674124763.db2.gz WOAHYJYFVVKROU-NSHDSACASA-N -1 1 364.785 2.384 20 0 FEADMM Cc1csc(=O)n1CCOC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801372030 674124886 /nfs/dbraw/zinc/12/48/86/674124886.db2.gz RNBKCXFPMYALSX-UHFFFAOYSA-N -1 1 359.407 2.275 20 0 FEADMM Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000072986546 541904475 /nfs/dbraw/zinc/90/44/75/541904475.db2.gz UZBHVHRRKMVMGO-UHFFFAOYSA-N -1 1 365.393 2.185 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)o1 ZINC000073913757 542014133 /nfs/dbraw/zinc/01/41/33/542014133.db2.gz USOBTCQXWPVVEF-NSHDSACASA-N -1 1 352.412 2.030 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)c1cccs1 ZINC000074649443 542105916 /nfs/dbraw/zinc/10/59/16/542105916.db2.gz OWPVHYJQQIFEGK-UHFFFAOYSA-N -1 1 358.467 2.337 20 0 FEADMM CC(C)CCOc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000075082324 542150722 /nfs/dbraw/zinc/15/07/22/542150722.db2.gz RWDCEMPIONFUSE-UHFFFAOYSA-N -1 1 365.455 2.350 20 0 FEADMM CCNC(=O)CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000076032690 542225973 /nfs/dbraw/zinc/22/59/73/542225973.db2.gz YXYKDEOESKNDHG-UHFFFAOYSA-N -1 1 361.467 2.055 20 0 FEADMM COc1ccc(Br)cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801703636 674144457 /nfs/dbraw/zinc/14/44/57/674144457.db2.gz OXKKGEJVAVHSBZ-UHFFFAOYSA-N -1 1 361.199 2.365 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)cc1F ZINC000076557465 542293035 /nfs/dbraw/zinc/29/30/35/542293035.db2.gz YLERFBKGDWJVPE-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(C)C)cc2)o1 ZINC000080435253 542589779 /nfs/dbraw/zinc/58/97/79/542589779.db2.gz SFJOCNAIMBSOAY-UHFFFAOYSA-N -1 1 366.439 2.153 20 0 FEADMM CC[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000080944631 542616811 /nfs/dbraw/zinc/61/68/11/542616811.db2.gz CBIBXGFRUPQSEC-JTQLQIEISA-N -1 1 357.382 2.343 20 0 FEADMM O=C(c1ccnc(OC2CCCCC2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000089340672 542760822 /nfs/dbraw/zinc/76/08/22/542760822.db2.gz BHHKXEGYELCZFA-CQSZACIVSA-N -1 1 356.430 2.326 20 0 FEADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1nnc2n1CCC2 ZINC000094037463 542949301 /nfs/dbraw/zinc/94/93/01/542949301.db2.gz LOHNBFFNZFRGHP-MRVPVSSYSA-N -1 1 351.204 2.183 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)O)c2)c1 ZINC000098075645 543020397 /nfs/dbraw/zinc/02/03/97/543020397.db2.gz FPWYYFZBPGXUHR-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1nc(-c2ccccn2)n[nH]1 ZINC000104314024 543128506 /nfs/dbraw/zinc/12/85/06/543128506.db2.gz JTWHJQSNWXQSNC-UHFFFAOYSA-N -1 1 362.393 2.323 20 0 FEADMM CC[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104897295 543149393 /nfs/dbraw/zinc/14/93/93/543149393.db2.gz WWMAJILAGFJSOA-MRXNPFEDSA-N -1 1 352.438 2.319 20 0 FEADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000106923168 543256343 /nfs/dbraw/zinc/25/63/43/543256343.db2.gz TVJHTWKSADNNIC-GFCCVEGCSA-N -1 1 373.482 2.475 20 0 FEADMM Cc1nc(C)c(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000108315925 543285587 /nfs/dbraw/zinc/28/55/87/543285587.db2.gz XJFURNFMGHMOIK-UHFFFAOYSA-N -1 1 373.482 2.417 20 0 FEADMM C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592999 543296555 /nfs/dbraw/zinc/29/65/55/543296555.db2.gz PZUMLDRVFJXQPP-LLVKDONJSA-N -1 1 356.492 2.004 20 0 FEADMM CCCCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592994 543296908 /nfs/dbraw/zinc/29/69/08/543296908.db2.gz DHLSGAFQJBLXEE-LBPRGKRZSA-N -1 1 356.492 2.006 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1 ZINC000111090979 543381217 /nfs/dbraw/zinc/38/12/17/543381217.db2.gz ZSZNJOFUENZJMJ-UHFFFAOYSA-N -1 1 371.422 2.404 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC000111346986 543398266 /nfs/dbraw/zinc/39/82/66/543398266.db2.gz PKLVCUMCNPZLFS-UHFFFAOYSA-N -1 1 372.368 2.202 20 0 FEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000116158436 543600923 /nfs/dbraw/zinc/60/09/23/543600923.db2.gz FLKBRIODRXSBSX-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000117740577 543638872 /nfs/dbraw/zinc/63/88/72/543638872.db2.gz UUAFJPGQOHNGDY-UHFFFAOYSA-N -1 1 374.871 2.190 20 0 FEADMM CCc1ccc(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000123426213 543761304 /nfs/dbraw/zinc/76/13/04/543761304.db2.gz NBXGBMBSSQOFTN-UHFFFAOYSA-N -1 1 352.438 2.103 20 0 FEADMM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000123950639 543792840 /nfs/dbraw/zinc/79/28/40/543792840.db2.gz CFJUFVCKJCIBFK-NSHDSACASA-N -1 1 368.445 2.278 20 0 FEADMM Cn1nccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000124240579 543809301 /nfs/dbraw/zinc/80/93/01/543809301.db2.gz ZUEMBQICMXSVAY-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1csc(Cc2ccccc2)n1)c1nn[n-]n1 ZINC000124302428 543812944 /nfs/dbraw/zinc/81/29/44/543812944.db2.gz GXLBVJMCWAHZPR-GFCCVEGCSA-N -1 1 356.455 2.052 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4cccc(O)c4)CC3)cnc2n1 ZINC000124983764 543854529 /nfs/dbraw/zinc/85/45/29/543854529.db2.gz HBFRJRWMHXWYPK-UHFFFAOYSA-N -1 1 364.405 2.312 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(c4cccc(O)c4)CC3)c[n-]c2n1 ZINC000124983764 543854532 /nfs/dbraw/zinc/85/45/32/543854532.db2.gz HBFRJRWMHXWYPK-UHFFFAOYSA-N -1 1 364.405 2.312 20 0 FEADMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000125304723 543873703 /nfs/dbraw/zinc/87/37/03/543873703.db2.gz OUHCZTSTOAVENC-VIFPVBQESA-N -1 1 351.371 2.486 20 0 FEADMM C[C@@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127218303 543979210 /nfs/dbraw/zinc/97/92/10/543979210.db2.gz QCAYIFFUYHFZKT-GUYCJALGSA-N -1 1 356.422 2.037 20 0 FEADMM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000126991925 543967282 /nfs/dbraw/zinc/96/72/82/543967282.db2.gz YFRIYXGYSQEBED-CQSZACIVSA-N -1 1 374.503 2.129 20 0 FEADMM O=C(c1c[nH]c2ccccc2c1=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000127397120 543990080 /nfs/dbraw/zinc/99/00/80/543990080.db2.gz DGNHQSFBAHAOOI-CXAGYDPISA-N -1 1 368.389 2.086 20 0 FEADMM CCC[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nn[n-]n1 ZINC000127592706 544002201 /nfs/dbraw/zinc/00/22/01/544002201.db2.gz NTZKYLVKGQHLSH-MRXNPFEDSA-N -1 1 364.409 2.468 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccco2)c2ccccc2)co1 ZINC000129240869 544099442 /nfs/dbraw/zinc/09/94/42/544099442.db2.gz KDACNHNFDMSFHW-INIZCTEOSA-N -1 1 360.391 2.300 20 0 FEADMM O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129296499 544103806 /nfs/dbraw/zinc/10/38/06/544103806.db2.gz OBZZCENHHZXDDP-ZDUSSCGKSA-N -1 1 354.439 2.267 20 0 FEADMM O=C(c1csc(Cc2ccccc2F)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129502172 544115562 /nfs/dbraw/zinc/11/55/62/544115562.db2.gz YBKLGYZYVBACDA-LBPRGKRZSA-N -1 1 372.429 2.406 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccccc1F ZINC000130476194 544152641 /nfs/dbraw/zinc/15/26/41/544152641.db2.gz YQNWRXYKJXFVIT-UHFFFAOYSA-N -1 1 350.371 2.224 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc(F)cc1F ZINC000130482983 544153252 /nfs/dbraw/zinc/15/32/52/544153252.db2.gz ODHSPEUTMFHCOF-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM O=S(=O)([N-]c1ccccc1Br)c1cnn([C@@H]2CCOC2)c1 ZINC000131493398 544192156 /nfs/dbraw/zinc/19/21/56/544192156.db2.gz UEFGSGQANCCWST-SNVBAGLBSA-N -1 1 372.244 2.408 20 0 FEADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000552196237 674194373 /nfs/dbraw/zinc/19/43/73/674194373.db2.gz MBHIATUTWHXYHI-LURJTMIESA-N -1 1 368.636 2.181 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccc(OC)cc1 ZINC000552210072 674195267 /nfs/dbraw/zinc/19/52/67/674195267.db2.gz LBRZWXPNCXJULV-HNNXBMFYSA-N -1 1 353.371 2.027 20 0 FEADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000132107582 544219135 /nfs/dbraw/zinc/21/91/35/544219135.db2.gz CXZCUCCHCWXOKN-JTQLQIEISA-N -1 1 357.819 2.307 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C ZINC000134770906 544321063 /nfs/dbraw/zinc/32/10/63/544321063.db2.gz LQKOXSWTUSXDNC-UHFFFAOYSA-N -1 1 373.434 2.189 20 0 FEADMM COc1ccc(C[C@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000134738661 544320166 /nfs/dbraw/zinc/32/01/66/544320166.db2.gz JJACOFGLCBWIGM-LBPRGKRZSA-N -1 1 368.437 2.143 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc4ncccc34)cc2n(C)c1=O ZINC000135739952 544359908 /nfs/dbraw/zinc/35/99/08/544359908.db2.gz ZZWKAQAWWOWXSS-UHFFFAOYSA-N -1 1 368.418 2.226 20 0 FEADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cnn(C2CCOCC2)c1 ZINC000137457840 544390346 /nfs/dbraw/zinc/39/03/46/544390346.db2.gz RMXRQJPGHPCBRQ-UHFFFAOYSA-N -1 1 361.345 2.453 20 0 FEADMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2NC1=O ZINC000137472152 544390434 /nfs/dbraw/zinc/39/04/34/544390434.db2.gz YVMPSXSRVLSDBV-MRVPVSSYSA-N -1 1 354.334 2.485 20 0 FEADMM CCC[C@@H](NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1)c1nn[n-]n1 ZINC000136629190 544375195 /nfs/dbraw/zinc/37/51/95/544375195.db2.gz MFGWWYJUJWUXMY-LLVKDONJSA-N -1 1 374.836 2.267 20 0 FEADMM COC[C@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000149102186 544454554 /nfs/dbraw/zinc/45/45/54/544454554.db2.gz HEZRXYJQBJTLQT-CQSZACIVSA-N -1 1 362.451 2.500 20 0 FEADMM Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000151525071 544552767 /nfs/dbraw/zinc/55/27/67/544552767.db2.gz UYKBSEWZBZCMCQ-UHFFFAOYSA-N -1 1 350.378 2.234 20 0 FEADMM Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000151525071 544552770 /nfs/dbraw/zinc/55/27/70/544552770.db2.gz UYKBSEWZBZCMCQ-UHFFFAOYSA-N -1 1 350.378 2.234 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nn1-c1ccc(C)cc1 ZINC000152573487 544669535 /nfs/dbraw/zinc/66/95/35/544669535.db2.gz KZHPWKNQSGUGGO-CQSZACIVSA-N -1 1 351.414 2.022 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)co1 ZINC000152665868 544681930 /nfs/dbraw/zinc/68/19/30/544681930.db2.gz LTBKQGPYHBSFJO-GOEBONIOSA-N -1 1 362.451 2.329 20 0 FEADMM C[C@@]1(O)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000153019470 544723943 /nfs/dbraw/zinc/72/39/43/544723943.db2.gz SSOXOKYDSKKYDZ-LJQANCHMSA-N -1 1 374.462 2.474 20 0 FEADMM C[C@@H](O)CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000153062342 544728648 /nfs/dbraw/zinc/72/86/48/544728648.db2.gz AQWZMYISSMVFCP-SNVBAGLBSA-N -1 1 364.348 2.423 20 0 FEADMM CCCC(O)(CCC)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000152984195 544719863 /nfs/dbraw/zinc/71/98/63/544719863.db2.gz AKXBNNPXSDUQSD-UHFFFAOYSA-N -1 1 374.503 2.418 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)c1 ZINC000153567215 544792851 /nfs/dbraw/zinc/79/28/51/544792851.db2.gz AWEZSRKPZQBBCF-GFCCVEGCSA-N -1 1 356.425 2.261 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)o1 ZINC000154080351 544861657 /nfs/dbraw/zinc/86/16/57/544861657.db2.gz SJKPXSZLBWQIRQ-UHFFFAOYSA-N -1 1 374.422 2.243 20 0 FEADMM COCCS(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000154305245 544889301 /nfs/dbraw/zinc/88/93/01/544889301.db2.gz ZBXAHWZYVFUHRG-UHFFFAOYSA-N -1 1 368.434 2.199 20 0 FEADMM O=C([N-]CCCN1CCO[C@H](c2ccc(F)c(F)c2)C1)C(F)(F)F ZINC000154798432 544950675 /nfs/dbraw/zinc/95/06/75/544950675.db2.gz YYCPZKHCYAQDGQ-ZDUSSCGKSA-N -1 1 352.303 2.407 20 0 FEADMM CCC[C@]1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCOC1 ZINC000553123704 674239813 /nfs/dbraw/zinc/23/98/13/674239813.db2.gz PFNWCFALLGLCCZ-INIZCTEOSA-N -1 1 358.460 2.045 20 0 FEADMM COc1ccc(NC(=O)c2ncccc2Cl)cc1[N-]S(C)(=O)=O ZINC000553265893 674249335 /nfs/dbraw/zinc/24/93/35/674249335.db2.gz HSGHMQVMVXIQBE-UHFFFAOYSA-N -1 1 355.803 2.367 20 0 FEADMM CCCN1C(=O)N(c2ccc([N-]S(=O)(=O)CC)c(OC)c2)C(=O)[C@H]1C ZINC000804203343 674276311 /nfs/dbraw/zinc/27/63/11/674276311.db2.gz BPIGLNBDLHDBAR-LLVKDONJSA-N -1 1 369.443 2.024 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCSc3ccccc32)co1 ZINC000179198271 327630799 /nfs/dbraw/zinc/63/07/99/327630799.db2.gz AADKWAVVUOACHI-GFCCVEGCSA-N -1 1 352.437 2.155 20 0 FEADMM CCC(CC)[C@@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCO1 ZINC000180845727 327704306 /nfs/dbraw/zinc/70/43/06/327704306.db2.gz VERAUECBLWKJGC-WBVHZDCISA-N -1 1 374.485 2.282 20 0 FEADMM CNC(=O)Nc1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1F ZINC000804397524 674284875 /nfs/dbraw/zinc/28/48/75/674284875.db2.gz DIGWPSCASQMCHW-UHFFFAOYSA-N -1 1 360.374 2.161 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000187049867 327999458 /nfs/dbraw/zinc/99/94/58/327999458.db2.gz GTHMQGLLWVMBPW-UHFFFAOYSA-N -1 1 350.371 2.154 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1F ZINC000187068629 328000524 /nfs/dbraw/zinc/00/05/24/328000524.db2.gz HWFYVELKAACNMU-UHFFFAOYSA-N -1 1 350.371 2.438 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)N2CCc3sccc3C2)[n-]1 ZINC000187592037 328034724 /nfs/dbraw/zinc/03/47/24/328034724.db2.gz IYXRHEKLVAWSHS-SECBINFHSA-N -1 1 351.453 2.323 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000187592037 328034725 /nfs/dbraw/zinc/03/47/25/328034725.db2.gz IYXRHEKLVAWSHS-SECBINFHSA-N -1 1 351.453 2.323 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)co1 ZINC000187766677 328044822 /nfs/dbraw/zinc/04/48/22/328044822.db2.gz UUBNHTARBOMGDL-GDBMZVCRSA-N -1 1 362.451 2.329 20 0 FEADMM O=C(NCC1(CCO)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000188007075 328059989 /nfs/dbraw/zinc/05/99/89/328059989.db2.gz JKGOMGMANMLVCP-UHFFFAOYSA-N -1 1 374.462 2.380 20 0 FEADMM NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188083356 328064769 /nfs/dbraw/zinc/06/47/69/328064769.db2.gz YOBZKKGIBMISHD-VXNVDRBHSA-N -1 1 369.245 2.455 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000188252562 328075930 /nfs/dbraw/zinc/07/59/30/328075930.db2.gz KDLCHHYYRFPMCL-AWEZNQCLSA-N -1 1 366.414 2.127 20 0 FEADMM Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000189938059 328177347 /nfs/dbraw/zinc/17/73/47/328177347.db2.gz FZEQCZWJMQBRKU-INIZCTEOSA-N -1 1 366.421 2.130 20 0 FEADMM COC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190643744 328221629 /nfs/dbraw/zinc/22/16/29/328221629.db2.gz SSMHHEXTTNUORS-UHFFFAOYSA-N -1 1 374.615 2.083 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)ccc1F ZINC000190723069 328227652 /nfs/dbraw/zinc/22/76/52/328227652.db2.gz XBGIEUXMZSIMPR-UHFFFAOYSA-N -1 1 362.386 2.275 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)co1 ZINC000190734451 328228750 /nfs/dbraw/zinc/22/87/50/328228750.db2.gz JMVGVQNREUZAJI-SNVBAGLBSA-N -1 1 368.377 2.238 20 0 FEADMM O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191209199 328254261 /nfs/dbraw/zinc/25/42/61/328254261.db2.gz MMPCPYSQAJBMDL-WMLDXEAASA-N -1 1 374.462 2.378 20 0 FEADMM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000191804232 328282912 /nfs/dbraw/zinc/28/29/12/328282912.db2.gz MYTZZNNRNJHDKE-GOEBONIOSA-N -1 1 354.406 2.277 20 0 FEADMM C[C@H](O)[C@](C)(CNC(=O)c1c[n-]c2c(cnn2C)c1=O)Cc1ccccc1 ZINC000192065854 328297821 /nfs/dbraw/zinc/29/78/21/328297821.db2.gz MNDYLPONMXBJMZ-RBZFPXEDSA-N -1 1 368.437 2.034 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000193703712 328390268 /nfs/dbraw/zinc/39/02/68/328390268.db2.gz BZRHLWAJQAVDAE-UHFFFAOYSA-N -1 1 368.842 2.226 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCCOc2cccc(C)c2)n1 ZINC000195071176 328454532 /nfs/dbraw/zinc/45/45/32/328454532.db2.gz NMQZJAATCWFWPL-ZDUSSCGKSA-N -1 1 361.467 2.317 20 0 FEADMM O=C(NC[C@@H]1CCCCO1)c1cc(I)ccc1[O-] ZINC000220672081 328482815 /nfs/dbraw/zinc/48/28/15/328482815.db2.gz MFMLHMXDBXDIPS-JTQLQIEISA-N -1 1 361.179 2.296 20 0 FEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000219864497 328482866 /nfs/dbraw/zinc/48/28/66/328482866.db2.gz FFJBFHVZQOXLOB-VXNVDRBHSA-N -1 1 369.668 2.343 20 0 FEADMM C[C@H](NC(=O)c1cc(I)ccc1[O-])c1cn[nH]c1 ZINC000229973768 328486229 /nfs/dbraw/zinc/48/62/29/328486229.db2.gz ZAGHAZUXLIWGMR-ZETCQYMHSA-N -1 1 357.151 2.211 20 0 FEADMM O=C(NC[C@H]1CCCOC1)c1ccc(I)c([O-])c1 ZINC000230889641 328486975 /nfs/dbraw/zinc/48/69/75/328486975.db2.gz IQTLWVPZXRMTPN-SECBINFHSA-N -1 1 361.179 2.153 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000230906828 328487264 /nfs/dbraw/zinc/48/72/64/328487264.db2.gz PSJICSFWQVEMIM-SCZZXKLOSA-N -1 1 361.179 2.294 20 0 FEADMM Cc1ccc(CC(=O)N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000080022990 325114215 /nfs/dbraw/zinc/11/42/15/325114215.db2.gz QANPCVXIZFGLBS-UHFFFAOYSA-N -1 1 356.397 2.367 20 0 FEADMM CCc1nsc(N2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)n1 ZINC000080034116 325115109 /nfs/dbraw/zinc/11/51/09/325115109.db2.gz NPLYQZMIJNZFGI-UHFFFAOYSA-N -1 1 350.419 2.298 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(CC)CC ZINC000081816957 325199747 /nfs/dbraw/zinc/19/97/47/325199747.db2.gz VLOBKQJMHYNIKV-ZIAGYGMSSA-N -1 1 372.487 2.244 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCSC(C)(C)C1 ZINC000083005996 325209596 /nfs/dbraw/zinc/20/95/96/325209596.db2.gz AIYHDHJLMLWZKP-UHFFFAOYSA-N -1 1 358.467 2.037 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc2ccccc2o1)NCCc1ccccc1 ZINC000084937242 325247108 /nfs/dbraw/zinc/24/71/08/325247108.db2.gz RRMDETHVRPYXNF-UHFFFAOYSA-N -1 1 358.419 2.070 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1COc2ccccc21 ZINC000091160108 325376078 /nfs/dbraw/zinc/37/60/78/325376078.db2.gz SUQKFZAIYVATNE-LBPRGKRZSA-N -1 1 350.371 2.312 20 0 FEADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000091160649 325376304 /nfs/dbraw/zinc/37/63/04/325376304.db2.gz CSBRXOOZJJEJRL-LLVKDONJSA-N -1 1 354.407 2.210 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(C)Cc2ccccc2C1 ZINC000091803237 325394095 /nfs/dbraw/zinc/39/40/95/325394095.db2.gz VICIZMMSEDZRAV-UHFFFAOYSA-N -1 1 364.449 2.103 20 0 FEADMM CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094090565 325452742 /nfs/dbraw/zinc/45/27/42/325452742.db2.gz ZUTUUOSEHCFEHI-NSHDSACASA-N -1 1 373.272 2.148 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)O)cc2)ccc1F ZINC000098075625 325466019 /nfs/dbraw/zinc/46/60/19/325466019.db2.gz JLCSPFSRMLZCRO-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000103937792 325529225 /nfs/dbraw/zinc/52/92/25/325529225.db2.gz UHRBKLIBOSENHU-ZDUSSCGKSA-N -1 1 352.438 2.319 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)o1 ZINC000113213214 325829869 /nfs/dbraw/zinc/82/98/69/325829869.db2.gz SEXUWFZAIYXGOE-SFHVURJKSA-N -1 1 362.451 2.382 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000116601342 326026720 /nfs/dbraw/zinc/02/67/20/326026720.db2.gz UOHNVSJEXXLEPV-UHFFFAOYSA-N -1 1 364.446 2.082 20 0 FEADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)nc2)CC1 ZINC000116601472 326027099 /nfs/dbraw/zinc/02/70/99/326027099.db2.gz NJYNOHZPZKDTDZ-UHFFFAOYSA-N -1 1 366.874 2.288 20 0 FEADMM CC(C)c1ccc(SCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000116614460 326027389 /nfs/dbraw/zinc/02/73/89/326027389.db2.gz RYIMUSQYSMLBRL-UHFFFAOYSA-N -1 1 354.457 2.062 20 0 FEADMM CC(C)c1ccc(SCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000116614460 326027390 /nfs/dbraw/zinc/02/73/90/326027390.db2.gz RYIMUSQYSMLBRL-UHFFFAOYSA-N -1 1 354.457 2.062 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncnn3C)c2)cc1 ZINC000118959407 326112994 /nfs/dbraw/zinc/11/29/94/326112994.db2.gz KHBWMVSSTIBRNC-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CN(CCCOc1ccc(F)cc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119154046 326131870 /nfs/dbraw/zinc/13/18/70/326131870.db2.gz QRFIUMGVVBPSHK-UHFFFAOYSA-N -1 1 358.373 2.354 20 0 FEADMM Cc1cc(C)n(CC2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)n1 ZINC000119282353 326144894 /nfs/dbraw/zinc/14/48/94/326144894.db2.gz SGSILTADHLWRJK-UHFFFAOYSA-N -1 1 368.441 2.040 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)co1 ZINC000119672994 326186508 /nfs/dbraw/zinc/18/65/08/326186508.db2.gz XOQJWXKSPQBZJX-HNNXBMFYSA-N -1 1 363.439 2.340 20 0 FEADMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000119873963 326207830 /nfs/dbraw/zinc/20/78/30/326207830.db2.gz RNLCEZCPSGTLBF-UHFFFAOYSA-N -1 1 372.796 2.409 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCOc2ccc(C)cc2)co1 ZINC000120210023 326241102 /nfs/dbraw/zinc/24/11/02/326241102.db2.gz LYDQFOSSOMQSIN-UHFFFAOYSA-N -1 1 366.439 2.085 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)co1 ZINC000120511907 326264470 /nfs/dbraw/zinc/26/44/70/326264470.db2.gz PMIUUWKFFVOAAU-OAHLLOKOSA-N -1 1 366.414 2.174 20 0 FEADMM O=C(CC(F)(F)F)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000120552170 326267751 /nfs/dbraw/zinc/26/77/51/326267751.db2.gz XUDNGFZHPNONCF-UHFFFAOYSA-N -1 1 352.334 2.068 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C(C)C)C2CCOCC2)c(=O)[n-]1 ZINC000121487778 326342563 /nfs/dbraw/zinc/34/25/63/326342563.db2.gz LNJSVFDUYDUFOJ-UHFFFAOYSA-N -1 1 353.488 2.149 20 0 FEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1F ZINC000122160902 326386160 /nfs/dbraw/zinc/38/61/60/326386160.db2.gz LPGMQVRYQGLKEF-UHFFFAOYSA-N -1 1 368.361 2.293 20 0 FEADMM C[C@@H](CCCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000122450808 326397399 /nfs/dbraw/zinc/39/73/99/326397399.db2.gz XXPWPOHCNHWHPB-KSSFIOAISA-N -1 1 370.449 2.427 20 0 FEADMM Cc1noc([N-]C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n1 ZINC000122833086 326410789 /nfs/dbraw/zinc/41/07/89/326410789.db2.gz VZJFGJHTPLNPHB-UHFFFAOYSA-N -1 1 359.411 2.437 20 0 FEADMM CCC(=O)c1cccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000132200022 326588757 /nfs/dbraw/zinc/58/87/57/326588757.db2.gz RCXIUTKARMIRCI-UHFFFAOYSA-N -1 1 352.394 2.413 20 0 FEADMM O=c1c([N-]S(=O)(=O)c2cc(F)ccc2F)cccn1CC(F)(F)F ZINC000132842473 326598712 /nfs/dbraw/zinc/59/87/12/326598712.db2.gz LCNFUMWCOIQVFV-UHFFFAOYSA-N -1 1 368.283 2.490 20 0 FEADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000133407923 326608215 /nfs/dbraw/zinc/60/82/15/326608215.db2.gz AEQJWMUSZGDPHA-CYBMUJFWSA-N -1 1 350.212 2.488 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)[C@H]1CCOC1 ZINC000135109634 326636384 /nfs/dbraw/zinc/63/63/84/326636384.db2.gz LPNNANSIIRFZNL-YUMQZZPRSA-N -1 1 369.668 2.201 20 0 FEADMM Cc1cc(C(=O)Nc2ccccc2N2CCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151539417 326684971 /nfs/dbraw/zinc/68/49/71/326684971.db2.gz XZQQTSVBBLQTAO-UHFFFAOYSA-N -1 1 365.393 2.185 20 0 FEADMM O=S(=O)([N-][C@H]1CC[C@H](CO)CC1)c1sccc1Br ZINC000152246011 326702500 /nfs/dbraw/zinc/70/25/00/326702500.db2.gz XIFVLSCRBSAHMA-DTORHVGOSA-N -1 1 354.291 2.340 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000152548624 326710194 /nfs/dbraw/zinc/71/01/94/326710194.db2.gz CCGMUTUKCULTPS-UONOGXRCSA-N -1 1 365.499 2.197 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C12CCCCC2 ZINC000153481415 326733933 /nfs/dbraw/zinc/73/39/33/326733933.db2.gz IVICIBLDVMWMRX-UONOGXRCSA-N -1 1 370.471 2.045 20 0 FEADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc([O-])cc1F ZINC000154981810 326774155 /nfs/dbraw/zinc/77/41/55/326774155.db2.gz UPFYRSZDIBAPLE-CQSZACIVSA-N -1 1 350.296 2.345 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2noc3c2CCCC3)s1 ZINC000157955293 326880640 /nfs/dbraw/zinc/88/06/40/326880640.db2.gz VRYZWKNEVBTUIG-UHFFFAOYSA-N -1 1 350.400 2.153 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)co1 ZINC000162419491 327025329 /nfs/dbraw/zinc/02/53/29/327025329.db2.gz YLLMVMSFKCFGBK-LLVKDONJSA-N -1 1 352.412 2.030 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000170915371 327107023 /nfs/dbraw/zinc/10/70/23/327107023.db2.gz KYBNSIRKJQUOCG-UHFFFAOYSA-N -1 1 357.391 2.083 20 0 FEADMM O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1ncccc1[O-] ZINC000171274668 327128939 /nfs/dbraw/zinc/12/89/39/327128939.db2.gz CIVDPSVWAXQDIM-VIFPVBQESA-N -1 1 357.193 2.264 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000171296789 327130379 /nfs/dbraw/zinc/13/03/79/327130379.db2.gz VHLVONRPWBPNDS-SFHVURJKSA-N -1 1 368.433 2.399 20 0 FEADMM Cc1ccc(C(=O)CCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000172221917 327188134 /nfs/dbraw/zinc/18/81/34/327188134.db2.gz JZZFPBMHAIPYLY-UHFFFAOYSA-N -1 1 372.450 2.289 20 0 FEADMM Cn1ccc(N2CCC[C@H](NC(=O)c3ccc4ccccc4c3[O-])C2=O)n1 ZINC000172854935 327222923 /nfs/dbraw/zinc/22/29/23/327222923.db2.gz LCAZKWJSRMCTDG-INIZCTEOSA-N -1 1 364.405 2.204 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc21 ZINC000172888273 327225035 /nfs/dbraw/zinc/22/50/35/327225035.db2.gz MWXWYRNVTIVREQ-UHFFFAOYSA-N -1 1 355.419 2.498 20 0 FEADMM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccnc3)n2)c1 ZINC000174032906 327302763 /nfs/dbraw/zinc/30/27/63/327302763.db2.gz SIBFZHLWFSWVEP-LLVKDONJSA-N -1 1 360.395 2.180 20 0 FEADMM CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1)Oc1ccccc1C ZINC000174969010 327364272 /nfs/dbraw/zinc/36/42/72/327364272.db2.gz IDRHGMOURRDWLK-ZDUSSCGKSA-N -1 1 366.439 2.084 20 0 FEADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000175194427 327379154 /nfs/dbraw/zinc/37/91/54/327379154.db2.gz JCBGKRUKIUDCNR-UHFFFAOYSA-N -1 1 351.399 2.266 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccccc1COc1ccccc1 ZINC000176270649 327444971 /nfs/dbraw/zinc/44/49/71/327444971.db2.gz FUDPYHZIBHNGBG-UHFFFAOYSA-N -1 1 352.394 2.040 20 0 FEADMM COc1ccc([C@@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000176513705 327460332 /nfs/dbraw/zinc/46/03/32/327460332.db2.gz AIDVQFVBQXXLHT-LBPRGKRZSA-N -1 1 368.437 2.458 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(O)C2)cc1 ZINC000177431047 327521896 /nfs/dbraw/zinc/52/18/96/327521896.db2.gz RHXNHXPABJWWGH-IBGZPJMESA-N -1 1 374.462 2.393 20 0 FEADMM O=C(N[C@H]1CCC[C@@H]1O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000178575104 327593199 /nfs/dbraw/zinc/59/31/99/327593199.db2.gz HQGUFVFNKQALSL-IRXDYDNUSA-N -1 1 360.435 2.131 20 0 FEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000248562628 328726202 /nfs/dbraw/zinc/72/62/02/328726202.db2.gz ODUYXRDITRNUCV-BBWFWOEESA-N -1 1 364.486 2.266 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)s1)c1ccc(OC)cc1 ZINC000264141346 328994591 /nfs/dbraw/zinc/99/45/91/328994591.db2.gz BEQMDHMDRWRJNW-AWEZNQCLSA-N -1 1 355.437 2.258 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2ccc(C)cc2)o1 ZINC000264335720 329011519 /nfs/dbraw/zinc/01/15/19/329011519.db2.gz UMJRKUSUIOKTFM-UHFFFAOYSA-N -1 1 350.440 2.204 20 0 FEADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000264663271 329045896 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COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1ccco1 ZINC000272466194 329783492 /nfs/dbraw/zinc/78/34/92/329783492.db2.gz WFIWLFIZNQIERF-GFCCVEGCSA-N -1 1 357.384 2.024 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc(Cl)c1[O-] ZINC000273811918 329893897 /nfs/dbraw/zinc/89/38/97/329893897.db2.gz AZYVCOVDSPRLGQ-VIFPVBQESA-N -1 1 350.806 2.473 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000274213103 329926975 /nfs/dbraw/zinc/92/69/75/329926975.db2.gz QTKDNGAMLDKWQL-GJZGRUSLSA-N -1 1 365.407 2.265 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccc(OC)c(F)c1 ZINC000274675650 329970251 /nfs/dbraw/zinc/97/02/51/329970251.db2.gz KWOLAILFMIQWQT-AWEZNQCLSA-N -1 1 373.427 2.479 20 0 FEADMM CCOC(=O)[C@H](C)N(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000276353835 330144258 /nfs/dbraw/zinc/14/42/58/330144258.db2.gz LAKRDWOSVWKENL-NSHDSACASA-N -1 1 367.471 2.088 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)o1 ZINC000553910562 674293933 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O=C(NCCO)c1ccc(=NCC2(c3ccc(Cl)cc3)CCC2)[n-]n1 ZINC000488442899 538740805 /nfs/dbraw/zinc/74/08/05/538740805.db2.gz UZALSGFQWMPVOE-UHFFFAOYSA-N -1 1 360.845 2.386 20 0 FEADMM O=C(N=c1ccc(C2CC2)n[n-]1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000473689767 538790762 /nfs/dbraw/zinc/79/07/62/538790762.db2.gz ILLCUWMVEVAQQR-UHFFFAOYSA-N -1 1 365.397 2.373 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCNC2=O)cc1 ZINC000477303622 561141682 /nfs/dbraw/zinc/14/16/82/561141682.db2.gz VREQITAGHFWVJE-UHFFFAOYSA-N -1 1 373.434 2.215 20 0 FEADMM CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477422013 561144660 /nfs/dbraw/zinc/14/46/60/561144660.db2.gz IIGFRDXKTRAFJY-UHFFFAOYSA-N -1 1 362.407 2.477 20 0 FEADMM O=C(CCn1cncn1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159344310 545944776 /nfs/dbraw/zinc/94/47/76/545944776.db2.gz LDIFDOBZMLFRTH-UHFFFAOYSA-N -1 1 371.422 2.108 20 0 FEADMM CN(C(=O)c1ccc(I)c([O-])c1)c1ccn(C)n1 ZINC000478639425 561171545 /nfs/dbraw/zinc/17/15/45/561171545.db2.gz 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367.203 2.268 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)c(Cl)c2)o1 ZINC000481065270 561224432 /nfs/dbraw/zinc/22/44/32/561224432.db2.gz XBBSZAKLPIVMAQ-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c(=O)[n-]1 ZINC000177887395 546702404 /nfs/dbraw/zinc/70/24/04/546702404.db2.gz ZOLRVBLJJZZDCZ-CZUORRHYSA-N -1 1 367.515 2.300 20 0 FEADMM CC[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1)Oc1cccc(C)c1 ZINC000178023087 546724247 /nfs/dbraw/zinc/72/42/47/546724247.db2.gz HRZSZSMOUYUPMX-CYBMUJFWSA-N -1 1 366.439 2.084 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)c1nccs1 ZINC000178549995 546810747 /nfs/dbraw/zinc/81/07/47/546810747.db2.gz LEEOKPQSKBDART-NSHDSACASA-N -1 1 358.416 2.498 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@H]1O)c1sccc1Br ZINC000178703815 546835725 /nfs/dbraw/zinc/83/57/25/546835725.db2.gz CEYRPFSUCYQYNK-VXGBXAGGSA-N -1 1 374.281 2.447 20 0 FEADMM CNC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000481573921 561236399 /nfs/dbraw/zinc/23/63/99/561236399.db2.gz UUMGPAFRMYKRLI-AWEZNQCLSA-N -1 1 372.368 2.260 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(OCCF)c2)ccc1[O-] ZINC000481585030 561236768 /nfs/dbraw/zinc/23/67/68/561236768.db2.gz HEBFMUYKLLSGBU-UHFFFAOYSA-N -1 1 368.386 2.500 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc3ccccc3c2)co1 ZINC000179292306 546927110 /nfs/dbraw/zinc/92/71/10/546927110.db2.gz JDKSXEUJZULQKJ-UHFFFAOYSA-N -1 1 358.419 2.313 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000179538508 546973409 /nfs/dbraw/zinc/97/34/09/546973409.db2.gz FLWXHNWVSBOUJU-ZYHUDNBSSA-N -1 1 368.361 2.060 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)c(C)c1 ZINC000179846014 547020774 /nfs/dbraw/zinc/02/07/74/547020774.db2.gz XWZDRSYWJNSORV-UHFFFAOYSA-N -1 1 372.443 2.199 20 0 FEADMM CCCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000482433472 561253962 /nfs/dbraw/zinc/25/39/62/561253962.db2.gz MEZKBHXDTICPQN-CYBMUJFWSA-N -1 1 357.410 2.183 20 0 FEADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)NCc1ccco1 ZINC000180455324 547110432 /nfs/dbraw/zinc/11/04/32/547110432.db2.gz HNPWCBUDESWSLC-SECBINFHSA-N -1 1 356.300 2.439 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1-n1cnnn1 ZINC000181086085 547247343 /nfs/dbraw/zinc/24/73/43/547247343.db2.gz UWLRHAIHQNOTPP-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM Cn1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c(-c2ccccc2)n1 ZINC000181243826 547278529 /nfs/dbraw/zinc/27/85/29/547278529.db2.gz VOJMDXVANBYPOO-UHFFFAOYSA-N -1 1 359.389 2.254 20 0 FEADMM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000181556552 547335282 /nfs/dbraw/zinc/33/52/82/547335282.db2.gz AOIRVOKWCDAZJZ-UHFFFAOYSA-N -1 1 374.890 2.226 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1)c2=O ZINC000181902693 547401324 /nfs/dbraw/zinc/40/13/24/547401324.db2.gz HCOVKEVPVNNTEW-CVEARBPZSA-N -1 1 352.394 2.324 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000181910005 547402447 /nfs/dbraw/zinc/40/24/47/547402447.db2.gz JTWPQZOURNLYIR-ZDUSSCGKSA-N -1 1 363.414 2.233 20 0 FEADMM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181917046 547404207 /nfs/dbraw/zinc/40/42/07/547404207.db2.gz RKIUFGIIFXPSAG-WBMJQRKESA-N -1 1 352.394 2.276 20 0 FEADMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cnc3n(C)[n-]cc-3c2=O)C1 ZINC000182074227 547433365 /nfs/dbraw/zinc/43/33/65/547433365.db2.gz BISMDPKOQRIVDR-GFCCVEGCSA-N -1 1 351.410 2.407 20 0 FEADMM CC(C)[C@@H](CO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000182607526 547521475 /nfs/dbraw/zinc/52/14/75/547521475.db2.gz FPOKKMXIJICSTD-QGZVFWFLSA-N -1 1 362.451 2.234 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000182930273 547574864 /nfs/dbraw/zinc/57/48/64/547574864.db2.gz IFEUZOFGODVFNZ-UHFFFAOYSA-N -1 1 352.188 2.153 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)c1 ZINC000485256604 561315789 /nfs/dbraw/zinc/31/57/89/561315789.db2.gz CIRGDCQSWVPTSD-UHFFFAOYSA-N -1 1 371.418 2.304 20 0 FEADMM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C)cc1F)OCC(=O)N2 ZINC000485384861 561317977 /nfs/dbraw/zinc/31/79/77/561317977.db2.gz AZRSPBXEYWIFCR-UHFFFAOYSA-N -1 1 366.370 2.274 20 0 FEADMM O=C(NCc1cc(Cl)cc2c1OCC2)c1nc2ccccc2c(=O)[n-]1 ZINC000185571900 548003445 /nfs/dbraw/zinc/00/34/45/548003445.db2.gz RIODBVNCUHZJMU-UHFFFAOYSA-N -1 1 355.781 2.441 20 0 FEADMM O=C1Cc2ccccc2N1CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185571367 548003594 /nfs/dbraw/zinc/00/35/94/548003594.db2.gz GWCQCTYATCHVQN-UHFFFAOYSA-N -1 1 368.817 2.347 20 0 FEADMM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1c([O-])cccc1F ZINC000185877677 548049640 /nfs/dbraw/zinc/04/96/40/548049640.db2.gz WYMQHKFVNFMBAJ-UHFFFAOYSA-N -1 1 356.353 2.338 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(C(=O)[O-])s3)n2)cc1 ZINC000485738028 561326963 /nfs/dbraw/zinc/32/69/63/561326963.db2.gz NRGPSZWLMSKZOW-UHFFFAOYSA-N -1 1 358.379 2.170 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)c3ccc(C(=O)[O-])s3)n[nH]2)cc1 ZINC000485738028 561326964 /nfs/dbraw/zinc/32/69/64/561326964.db2.gz NRGPSZWLMSKZOW-UHFFFAOYSA-N -1 1 358.379 2.170 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189942682 548314028 /nfs/dbraw/zinc/31/40/28/548314028.db2.gz VWFKUIZIFLPGGP-UHFFFAOYSA-N -1 1 372.469 2.132 20 0 FEADMM CCOC(=O)c1ccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000486488528 561348873 /nfs/dbraw/zinc/34/88/73/561348873.db2.gz OKXRESFYMTYMGS-UHFFFAOYSA-N -1 1 368.393 2.158 20 0 FEADMM COC(=O)Cc1nc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)n[nH]1 ZINC000486453866 561347410 /nfs/dbraw/zinc/34/74/10/561347410.db2.gz WQOFFEGXXCGBJN-UHFFFAOYSA-N -1 1 364.230 2.070 20 0 FEADMM C[C@H]1C[C@H]1c1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)n[nH]1 ZINC000194551019 548497342 /nfs/dbraw/zinc/49/73/42/548497342.db2.gz XRBHWDYCAOXNJA-CMPLNLGQSA-N -1 1 365.393 2.155 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1nc(C(C)(C)C)no1 ZINC000194789214 548531864 /nfs/dbraw/zinc/53/18/64/548531864.db2.gz NLZYRENCCOMDOJ-QMMMGPOBSA-N -1 1 367.456 2.411 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC(CCO)C1 ZINC000486841876 561357922 /nfs/dbraw/zinc/35/79/22/561357922.db2.gz FEBZRFSEVOOGPO-UHFFFAOYSA-N -1 1 351.200 2.157 20 0 FEADMM O=S(=O)(CCCc1cn[nH]c1)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195114818 548579367 /nfs/dbraw/zinc/57/93/67/548579367.db2.gz VQWLNZNDBUZRCB-UHFFFAOYSA-N -1 1 351.819 2.255 20 0 FEADMM O=S(=O)(CCCc1cn[nH]c1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195114818 548579370 /nfs/dbraw/zinc/57/93/70/548579370.db2.gz VQWLNZNDBUZRCB-UHFFFAOYSA-N -1 1 351.819 2.255 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)cc1 ZINC000195127918 548581381 /nfs/dbraw/zinc/58/13/81/548581381.db2.gz PVXBPIMOHPBSRS-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000195127918 548581387 /nfs/dbraw/zinc/58/13/87/548581387.db2.gz PVXBPIMOHPBSRS-UHFFFAOYSA-N -1 1 374.397 2.332 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cc1C ZINC000195166090 548588568 /nfs/dbraw/zinc/58/85/68/548588568.db2.gz HYTBUSAIMWMUFC-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1C ZINC000195166090 548588574 /nfs/dbraw/zinc/58/85/74/548588574.db2.gz HYTBUSAIMWMUFC-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1C ZINC000195166090 548588576 /nfs/dbraw/zinc/58/85/76/548588576.db2.gz HYTBUSAIMWMUFC-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM CCc1noc([C@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)n1 ZINC000195211511 548597534 /nfs/dbraw/zinc/59/75/34/548597534.db2.gz QPMKHLAAKPBGKB-JTQLQIEISA-N -1 1 373.438 2.441 20 0 FEADMM CCc1noc([C@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000195211511 548597537 /nfs/dbraw/zinc/59/75/37/548597537.db2.gz QPMKHLAAKPBGKB-JTQLQIEISA-N -1 1 373.438 2.441 20 0 FEADMM CC(C)c1noc([C@H](C)S(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)n1 ZINC000195288778 548612802 /nfs/dbraw/zinc/61/28/02/548612802.db2.gz QGWGQENGGBMNIJ-NSHDSACASA-N -1 1 361.427 2.437 20 0 FEADMM CC(C)c1noc([C@H](C)S(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)n1 ZINC000195288778 548612806 /nfs/dbraw/zinc/61/28/06/548612806.db2.gz QGWGQENGGBMNIJ-NSHDSACASA-N -1 1 361.427 2.437 20 0 FEADMM CC(C)c1noc([C@H](C)S(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)n1 ZINC000195288778 548612810 /nfs/dbraw/zinc/61/28/10/548612810.db2.gz QGWGQENGGBMNIJ-NSHDSACASA-N -1 1 361.427 2.437 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC3CCN(CC(F)(F)F)CC3)cnc2n1 ZINC000195327051 548624817 /nfs/dbraw/zinc/62/48/17/548624817.db2.gz QNOKPHXLIWQLAB-UHFFFAOYSA-N -1 1 368.359 2.400 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC3CCN(CC(F)(F)F)CC3)c[n-]c2n1 ZINC000195327051 548624820 /nfs/dbraw/zinc/62/48/20/548624820.db2.gz QNOKPHXLIWQLAB-UHFFFAOYSA-N -1 1 368.359 2.400 20 0 FEADMM C[C@]1(CNC(=O)c2ccc(I)c([O-])c2)CCCO1 ZINC000230901015 548762571 /nfs/dbraw/zinc/76/25/71/548762571.db2.gz QSMLCPWZJOLBCJ-CYBMUJFWSA-N -1 1 361.179 2.296 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000248720761 549490858 /nfs/dbraw/zinc/49/08/58/549490858.db2.gz DZYZDMDFDXZZLF-XQHKEYJVSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000248720761 549490863 /nfs/dbraw/zinc/49/08/63/549490863.db2.gz DZYZDMDFDXZZLF-XQHKEYJVSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000248720761 549490868 /nfs/dbraw/zinc/49/08/68/549490868.db2.gz DZYZDMDFDXZZLF-XQHKEYJVSA-N -1 1 370.519 2.205 20 0 FEADMM C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(N)=O ZINC000490078251 561426021 /nfs/dbraw/zinc/42/60/21/561426021.db2.gz GWOHDRLYCHUBPH-PSLIRLAXSA-N -1 1 372.368 2.040 20 0 FEADMM CC(C)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC000490404362 561432352 /nfs/dbraw/zinc/43/23/52/561432352.db2.gz YLSYVNDMLAVPHP-INIZCTEOSA-N -1 1 363.364 2.309 20 0 FEADMM CCOc1ccc(C[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C(=O)[O-])cc1 ZINC000262956973 549865988 /nfs/dbraw/zinc/86/59/88/549865988.db2.gz JQWKBHSXCKVIEL-CQSZACIVSA-N -1 1 368.393 2.030 20 0 FEADMM CC(C)COc1ccc([C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000490537843 561434822 /nfs/dbraw/zinc/43/48/22/561434822.db2.gz CJEDBPCVVORMJZ-CQSZACIVSA-N -1 1 371.437 2.429 20 0 FEADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000263195461 549885244 /nfs/dbraw/zinc/88/52/44/549885244.db2.gz LSJMQWYLXRJKCR-RKDXNWHRSA-N -1 1 367.345 2.285 20 0 FEADMM Cc1nc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000263364695 549897656 /nfs/dbraw/zinc/89/76/56/549897656.db2.gz VREFYDNHBWKKMI-UHFFFAOYSA-N -1 1 353.422 2.266 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](NCc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000263407091 549900120 /nfs/dbraw/zinc/90/01/20/549900120.db2.gz KGRCIVNKTJTYMH-SFHVURJKSA-N -1 1 370.405 2.297 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000490870684 561439414 /nfs/dbraw/zinc/43/94/14/561439414.db2.gz IYDHQVQOBKYONL-WDEREUQCSA-N -1 1 359.348 2.002 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000268537448 550084150 /nfs/dbraw/zinc/08/41/50/550084150.db2.gz FSAONXULONZOFC-USXIJHARSA-N -1 1 368.437 2.169 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCO1 ZINC000268595867 550091207 /nfs/dbraw/zinc/09/12/07/550091207.db2.gz CQCWEXXXWROVFF-SECBINFHSA-N -1 1 362.304 2.364 20 0 FEADMM COc1ccc2cc(C(=O)Nc3nc(SCCO)n[nH]3)c(C)nc2c1 ZINC000268742645 550111150 /nfs/dbraw/zinc/11/11/50/550111150.db2.gz QZKSBABNJBDVOS-UHFFFAOYSA-N -1 1 359.411 2.007 20 0 FEADMM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000268826355 550120065 /nfs/dbraw/zinc/12/00/65/550120065.db2.gz VFLLQVWYBYKYAY-CQSZACIVSA-N -1 1 351.449 2.105 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)c1 ZINC000269255407 550173137 /nfs/dbraw/zinc/17/31/37/550173137.db2.gz ADDHCCPALAPSFX-UHFFFAOYSA-N -1 1 365.430 2.475 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)s1 ZINC000269807620 550227174 /nfs/dbraw/zinc/22/71/74/550227174.db2.gz QBSPVHZVCUCJDA-UHFFFAOYSA-N -1 1 363.395 2.316 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000270013987 550243382 /nfs/dbraw/zinc/24/33/82/550243382.db2.gz SQAZPXABRKQIEN-KRWDZBQOSA-N -1 1 372.469 2.254 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)[C@H](C)c2ccccc2)co1 ZINC000270047358 550245675 /nfs/dbraw/zinc/24/56/75/550245675.db2.gz LLOCMLAHGQYOLD-CYBMUJFWSA-N -1 1 366.439 2.038 20 0 FEADMM CC1=C(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCCO1 ZINC000270318319 550261094 /nfs/dbraw/zinc/26/10/94/550261094.db2.gz FUXKUKQJBDJQKT-UHFFFAOYSA-N -1 1 366.439 2.200 20 0 FEADMM Cc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1-c1ncco1 ZINC000493947562 561459709 /nfs/dbraw/zinc/45/97/09/561459709.db2.gz WEGQWQPMKNEXEN-UHFFFAOYSA-N -1 1 352.350 2.119 20 0 FEADMM CC(C)c1nc([C@H](C)NC(=O)c2nn(-c3ccccc3F)cc2[O-])n[nH]1 ZINC000270753311 550303596 /nfs/dbraw/zinc/30/35/96/550303596.db2.gz NCUWKWVIDVVNPU-JTQLQIEISA-N -1 1 358.377 2.450 20 0 FEADMM Cn1c(=O)oc2ccc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)cc21 ZINC000494139700 561463405 /nfs/dbraw/zinc/46/34/05/561463405.db2.gz GINPUQMBLHYYMF-UHFFFAOYSA-N -1 1 362.345 2.338 20 0 FEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000271264790 550359121 /nfs/dbraw/zinc/35/91/21/550359121.db2.gz LRCPXFMEVHZKQK-BXKDBHETSA-N -1 1 361.826 2.267 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000271281535 550360529 /nfs/dbraw/zinc/36/05/29/550360529.db2.gz QQQXABSFOFSXSO-BMIGLBTASA-N -1 1 371.386 2.260 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N[C@H]2CCCOC2)c1)OCC(F)(F)F ZINC000271304004 550362911 /nfs/dbraw/zinc/36/29/11/550362911.db2.gz RGFPYKFXYINQKC-JTQLQIEISA-N -1 1 362.304 2.412 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000271362921 550368975 /nfs/dbraw/zinc/36/89/75/550368975.db2.gz OZJLGNOMXNKYLL-ZFWWWQNUSA-N -1 1 370.453 2.417 20 0 FEADMM O=C1CCCN1Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000272103316 550422665 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COCc1nc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c([O-])c2F)n[nH]1 ZINC000291800330 552663113 /nfs/dbraw/zinc/66/31/13/552663113.db2.gz ABSNTBVIIRRNNS-JTQLQIEISA-N -1 1 370.331 2.441 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000292125925 552696244 /nfs/dbraw/zinc/69/62/44/552696244.db2.gz XFFYLQDCDGATRH-UHFFFAOYSA-N -1 1 355.338 2.483 20 0 FEADMM C[C@H]1CCCN(c2cc(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)ccn2)C1 ZINC000292435512 552726513 /nfs/dbraw/zinc/72/65/13/552726513.db2.gz UZCQCZLCYFFAQT-SXNXEAAASA-N -1 1 350.426 2.225 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1COc2ccccc21 ZINC000292509966 552733489 /nfs/dbraw/zinc/73/34/89/552733489.db2.gz IBVGBZLDSKJKJK-RAIGVLPGSA-N -1 1 356.344 2.221 20 0 FEADMM COc1ccc(NC(=O)[C@H]2CCCC[C@H]2OC)cc1[N-]S(C)(=O)=O ZINC000292761449 552756270 /nfs/dbraw/zinc/75/62/70/552756270.db2.gz KJAMAFJGXQTKAX-GXTWGEPZSA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)[C@H](C)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292800167 552759536 /nfs/dbraw/zinc/75/95/36/552759536.db2.gz HURCVDXTOCLHRG-QMMMGPOBSA-N -1 1 367.199 2.336 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)Oc1ccccc1 ZINC000293634189 552842431 /nfs/dbraw/zinc/84/24/31/552842431.db2.gz WZGKKBLQDSZSAZ-JTQLQIEISA-N -1 1 363.361 2.185 20 0 FEADMM CCOCC(C)(C)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000293718608 552849978 /nfs/dbraw/zinc/84/99/78/552849978.db2.gz PKUQLMGPCYPPLS-UHFFFAOYSA-N -1 1 358.442 2.274 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccnc2ccncc21 ZINC000293873760 552864376 /nfs/dbraw/zinc/86/43/76/552864376.db2.gz LMASHJJVCICTPP-ZWNOBZJWSA-N -1 1 366.343 2.301 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](CO)c3ccccc32)c(=O)[n-]1 ZINC000293939018 552869680 /nfs/dbraw/zinc/86/96/80/552869680.db2.gz OYPKDPMXERZXRG-LBPRGKRZSA-N -1 1 359.451 2.268 20 0 FEADMM C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)NCC(=O)[O-] ZINC000294749607 552931515 /nfs/dbraw/zinc/93/15/15/552931515.db2.gz KRNGYPKGNWIPQD-UHFFFAOYSA-N -1 1 359.426 2.187 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000295234359 552973185 /nfs/dbraw/zinc/97/31/85/552973185.db2.gz CVLSPXWSFOWWIM-MWLCHTKSSA-N -1 1 354.332 2.235 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)o1 ZINC000295560495 553026371 /nfs/dbraw/zinc/02/63/71/553026371.db2.gz LJBLVJDTZFFYJB-ZDUSSCGKSA-N -1 1 370.377 2.273 20 0 FEADMM Cc1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1N1CCOCC1 ZINC000295677476 553043503 /nfs/dbraw/zinc/04/35/03/553043503.db2.gz LGZTVNWCMKLVFP-UHFFFAOYSA-N -1 1 369.450 2.415 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C3CC3)nc2C)c1 ZINC000296192329 553119750 /nfs/dbraw/zinc/11/97/50/553119750.db2.gz UXIZUGGDJJSFRW-UHFFFAOYSA-N -1 1 361.423 2.133 20 0 FEADMM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296365057 553148171 /nfs/dbraw/zinc/14/81/71/553148171.db2.gz GFZPWVDMHZAUQS-CYBMUJFWSA-N -1 1 356.361 2.203 20 0 FEADMM O=C([N-]CC1CCN(c2ccc3c(n2)CCCC3=O)CC1)C(F)(F)F ZINC000296869207 553222682 /nfs/dbraw/zinc/22/26/82/553222682.db2.gz VVZBWGNIYPLBNB-UHFFFAOYSA-N -1 1 355.360 2.496 20 0 FEADMM CNC(=O)c1[nH]nnc1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000297812784 553341825 /nfs/dbraw/zinc/34/18/25/553341825.db2.gz UCQCSHHYJHCHDI-UHFFFAOYSA-N -1 1 363.468 2.285 20 0 FEADMM Fc1ccc(-n2c(CN3CCCCC3)nnc2SCc2nn[n-]n2)cc1 ZINC000298303201 553410335 /nfs/dbraw/zinc/41/03/35/553410335.db2.gz KMMPGELNQBJAGX-UHFFFAOYSA-N -1 1 374.449 2.198 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)c1 ZINC000503734229 561647642 /nfs/dbraw/zinc/64/76/42/561647642.db2.gz XJNQOOSUQQFJLX-UHFFFAOYSA-N -1 1 363.313 2.005 20 0 FEADMM CN(C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1)S(C)(=O)=O ZINC000299286653 553542764 /nfs/dbraw/zinc/54/27/64/553542764.db2.gz QNZPKXXGIKAADN-UHFFFAOYSA-N -1 1 362.451 2.041 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000504061242 561652482 /nfs/dbraw/zinc/65/24/82/561652482.db2.gz QCPYOEOTEIYPQH-UHFFFAOYSA-N -1 1 362.407 2.111 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)ccc1C ZINC000504057893 561652484 /nfs/dbraw/zinc/65/24/84/561652484.db2.gz MWGPFGWITZNACN-UHFFFAOYSA-N -1 1 351.380 2.297 20 0 FEADMM C[C@@H]1COCCN1c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301187597 553629353 /nfs/dbraw/zinc/62/93/53/553629353.db2.gz KTDYRVVAHNVCBM-LLVKDONJSA-N -1 1 369.393 2.386 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2C(=O)[O-])cs1 ZINC000504665382 561660925 /nfs/dbraw/zinc/66/09/25/561660925.db2.gz DYKNOJBUZNGSMP-UHFFFAOYSA-N -1 1 371.392 2.042 20 0 FEADMM Cc1nc(-c2ccc(N3CCC(Cn4cncn4)CC3)nc2)[n-]c(=O)c1C ZINC000302400014 553716037 /nfs/dbraw/zinc/71/60/37/553716037.db2.gz JVTAVPWMJXHELV-UHFFFAOYSA-N -1 1 365.441 2.369 20 0 FEADMM COCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000324794768 553773668 /nfs/dbraw/zinc/77/36/68/553773668.db2.gz NAFYNEDGHXROLA-UHFFFAOYSA-N -1 1 355.368 2.112 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2C(=O)[O-])c(OC)c1 ZINC000327259839 553786979 /nfs/dbraw/zinc/78/69/79/553786979.db2.gz AUJHQWIWJCJMQM-UHFFFAOYSA-N -1 1 367.379 2.211 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1)c2=O ZINC000505710914 561678301 /nfs/dbraw/zinc/67/83/01/561678301.db2.gz OTMZPHUCLRGRBN-HNNXBMFYSA-N -1 1 372.347 2.246 20 0 FEADMM COc1ccccc1Nc1ccccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000505989119 561686831 /nfs/dbraw/zinc/68/68/31/561686831.db2.gz DGOOKMYSMUIUED-UHFFFAOYSA-N -1 1 350.382 2.371 20 0 FEADMM COc1cc(NC(=O)NCC[C@@H]2CCCCO2)ccc1[N-]S(C)(=O)=O ZINC000506628596 561704401 /nfs/dbraw/zinc/70/44/01/561704401.db2.gz UXTPNPZPJUHSFK-ZDUSSCGKSA-N -1 1 371.459 2.147 20 0 FEADMM COc1ccc(-c2nc(=NC(=O)C(=O)Nc3ccccc3)[n-][nH]2)cc1OC ZINC000605520385 553995930 /nfs/dbraw/zinc/99/59/30/553995930.db2.gz BMNJNZGDIFGKFS-UHFFFAOYSA-N -1 1 367.365 2.066 20 0 FEADMM Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000507536621 561732352 /nfs/dbraw/zinc/73/23/52/561732352.db2.gz SLVXTVGERMEOIB-UHFFFAOYSA-N -1 1 366.097 2.247 20 0 FEADMM CN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1=O ZINC000330422876 554119568 /nfs/dbraw/zinc/11/95/68/554119568.db2.gz FAJAPPKFHBZPQT-ZETCQYMHSA-N -1 1 357.646 2.156 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OC)c(F)c1 ZINC000508093182 561751274 /nfs/dbraw/zinc/75/12/74/561751274.db2.gz GWABZDWLGAYBLN-UHFFFAOYSA-N -1 1 367.354 2.200 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(=O)[n-]1 ZINC000330777777 554169887 /nfs/dbraw/zinc/16/98/87/554169887.db2.gz ARKVPOABGDCRFR-KOLCDFICSA-N -1 1 352.460 2.307 20 0 FEADMM COc1cc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cc(Cl)c1[O-] ZINC000330879253 554182231 /nfs/dbraw/zinc/18/22/31/554182231.db2.gz MACROYBHVYVZFP-NSHDSACASA-N -1 1 372.874 2.484 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000330912145 554186972 /nfs/dbraw/zinc/18/69/72/554186972.db2.gz GOLSNUUJQCTSCB-MNOVXSKESA-N -1 1 362.854 2.404 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(C)(C)C)C2)o1 ZINC000330952931 554193588 /nfs/dbraw/zinc/19/35/88/554193588.db2.gz IUBPCHQKAOGHKK-ZDUSSCGKSA-N -1 1 372.487 2.244 20 0 FEADMM Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000508455609 561762666 /nfs/dbraw/zinc/76/26/66/561762666.db2.gz KDDQGTYQHUBALE-UHFFFAOYSA-N -1 1 360.395 2.316 20 0 FEADMM CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331183205 554227084 /nfs/dbraw/zinc/22/70/84/554227084.db2.gz IEORSNIGTOLFFW-ZDUSSCGKSA-N -1 1 364.464 2.054 20 0 FEADMM CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000331240330 554235236 /nfs/dbraw/zinc/23/52/36/554235236.db2.gz PNKPPRUKPNIENJ-LLVKDONJSA-N -1 1 355.232 2.286 20 0 FEADMM C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331288747 554241794 /nfs/dbraw/zinc/24/17/94/554241794.db2.gz NLLGQGILJIERAY-ZCFIWIBFSA-N -1 1 362.698 2.461 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1F ZINC000331424622 554261994 /nfs/dbraw/zinc/26/19/94/554261994.db2.gz PJSZSVVUFSACBW-LBPRGKRZSA-N -1 1 363.838 2.486 20 0 FEADMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)CCC2 ZINC000331443308 554265729 /nfs/dbraw/zinc/26/57/29/554265729.db2.gz BUYCWCANGHLDMD-SNVBAGLBSA-N -1 1 374.260 2.403 20 0 FEADMM CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)s1 ZINC000331765120 554322750 /nfs/dbraw/zinc/32/27/50/554322750.db2.gz CASCUPAINGQGEY-VHSXEESVSA-N -1 1 352.416 2.267 20 0 FEADMM O=C(Nc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1)NC1CC1 ZINC000509266528 561792955 /nfs/dbraw/zinc/79/29/55/561792955.db2.gz YRHABMNJFOLGRS-UHFFFAOYSA-N -1 1 371.397 2.079 20 0 FEADMM COc1cc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc(Cl)c1[O-] ZINC000332018522 554364660 /nfs/dbraw/zinc/36/46/60/554364660.db2.gz HXJHQILEMPHGIW-SECBINFHSA-N -1 1 350.806 2.473 20 0 FEADMM CSc1cc2c(cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)OCCO2 ZINC000509577913 561805859 /nfs/dbraw/zinc/80/58/59/561805859.db2.gz PEBODYYNCIQEME-UHFFFAOYSA-N -1 1 370.408 2.007 20 0 FEADMM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)C2)cn1 ZINC000332391981 554437672 /nfs/dbraw/zinc/43/76/72/554437672.db2.gz DAYCUZKDDJSHNC-GFCCVEGCSA-N -1 1 372.853 2.160 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1NCC(F)(F)F ZINC000509956867 561819807 /nfs/dbraw/zinc/81/98/07/561819807.db2.gz JIOVFWPZVSNEKB-UHFFFAOYSA-N -1 1 368.315 2.130 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)cc(Cl)c1[O-] ZINC000332467662 554451460 /nfs/dbraw/zinc/45/14/60/554451460.db2.gz WNDLNDUGAHGOGW-SMDDNHRTSA-N -1 1 365.817 2.438 20 0 FEADMM Cc1cc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c(Cl)cc1F ZINC000332472058 554452440 /nfs/dbraw/zinc/45/24/40/554452440.db2.gz VIRQFUNLDRHAJD-UHFFFAOYSA-N -1 1 355.826 2.184 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@]1(C)CCOC1 ZINC000510064147 561823612 /nfs/dbraw/zinc/82/36/12/561823612.db2.gz INVQMQWUKGCYBZ-CYBMUJFWSA-N -1 1 368.238 2.237 20 0 FEADMM Cc1cnc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c([O-])c1 ZINC000332532445 554465270 /nfs/dbraw/zinc/46/52/70/554465270.db2.gz GWGPJLMRGNSAKG-UHFFFAOYSA-N -1 1 355.394 2.292 20 0 FEADMM COCCN(CC(=O)OC(C)(C)C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000610879000 554574161 /nfs/dbraw/zinc/57/41/61/554574161.db2.gz SGMKLKGWHHPDAK-UHFFFAOYSA-N -1 1 355.460 2.148 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000333205444 554588581 /nfs/dbraw/zinc/58/85/81/554588581.db2.gz AMXLDEUGMWWGMR-UHFFFAOYSA-N -1 1 374.462 2.232 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c(C(F)(F)F)n1 ZINC000333750714 554639255 /nfs/dbraw/zinc/63/92/55/554639255.db2.gz XQDHMKBNTBSYAV-SNVBAGLBSA-N -1 1 367.393 2.067 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000334003609 554666966 /nfs/dbraw/zinc/66/69/66/554666966.db2.gz SRFZVMQAXGYFMJ-LJQANCHMSA-N -1 1 372.469 2.258 20 0 FEADMM Cc1noc(C)c1Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000350484222 554791706 /nfs/dbraw/zinc/79/17/06/554791706.db2.gz QJPNQMQACZKDHS-VIFPVBQESA-N -1 1 368.440 2.366 20 0 FEADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCn3nnc4ccccc43)no2)c1 ZINC000350568450 554798506 /nfs/dbraw/zinc/79/85/06/554798506.db2.gz XXTMJLURMVDWTB-UHFFFAOYSA-N -1 1 364.365 2.388 20 0 FEADMM COc1cc(-c2noc([C@@H](C)n3cncn3)n2)cc(Br)c1[O-] ZINC000350757157 554811109 /nfs/dbraw/zinc/81/11/09/554811109.db2.gz ARPXVAZNGHMXMK-SSDOTTSWSA-N -1 1 366.175 2.414 20 0 FEADMM Cc1ccc2oc(-c3noc(C[N-]S(=O)(=O)c4cnn(C)c4)n3)cc2c1 ZINC000350993408 554828367 /nfs/dbraw/zinc/82/83/67/554828367.db2.gz KMPNNCOUXDDWSI-UHFFFAOYSA-N -1 1 373.394 2.003 20 0 FEADMM COc1ccc(NC(=O)CCc2cscn2)cc1[N-]S(C)(=O)=O ZINC000511325859 561865294 /nfs/dbraw/zinc/86/52/94/561865294.db2.gz UGZXKORTQDAMLZ-UHFFFAOYSA-N -1 1 355.441 2.095 20 0 FEADMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC1 ZINC000511393819 561867826 /nfs/dbraw/zinc/86/78/26/561867826.db2.gz JLNUFKOXQYQPLJ-UHFFFAOYSA-N -1 1 369.867 2.115 20 0 FEADMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cn(CC(C)C)cn2)n1 ZINC000511410533 561868323 /nfs/dbraw/zinc/86/83/23/561868323.db2.gz KNDDEWSFUMSSGE-UHFFFAOYSA-N -1 1 374.413 2.013 20 0 FEADMM COc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1[N-]S(C)(=O)=O ZINC000361155483 554906652 /nfs/dbraw/zinc/90/66/52/554906652.db2.gz WTCRKEMJLOPXAE-INIZCTEOSA-N -1 1 362.407 2.009 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000362309758 554962335 /nfs/dbraw/zinc/96/23/35/554962335.db2.gz NTBMAQMUSGUVMR-CQSZACIVSA-N -1 1 368.361 2.279 20 0 FEADMM CC[N@@H+](CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000363094719 555029244 /nfs/dbraw/zinc/02/92/44/555029244.db2.gz HUSSHUPBMXARHX-UHFFFAOYSA-N -1 1 359.470 2.481 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000363349011 555083129 /nfs/dbraw/zinc/08/31/29/555083129.db2.gz RUIUNIANFMNPHC-OAHLLOKOSA-N -1 1 365.455 2.381 20 0 FEADMM Cc1ccnn1-c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000363442748 555106749 /nfs/dbraw/zinc/10/67/49/555106749.db2.gz VJVPUKXACBBQFQ-UHFFFAOYSA-N -1 1 360.395 2.018 20 0 FEADMM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1cccc(F)c1F ZINC000363452356 555109123 /nfs/dbraw/zinc/10/91/23/555109123.db2.gz FVYNWLLLXGSDJI-UHFFFAOYSA-N -1 1 353.394 2.307 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1cccc(F)c1F ZINC000363452892 555109214 /nfs/dbraw/zinc/10/92/14/555109214.db2.gz NKMOSVZYXDMSCW-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512009867 561888827 /nfs/dbraw/zinc/88/88/27/561888827.db2.gz OKWQGJXWZKAUSC-MGPLVRAMSA-N -1 1 358.373 2.319 20 0 FEADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512019970 561889374 /nfs/dbraw/zinc/88/93/74/561889374.db2.gz MAVJXLJYSXUNCP-HNNXBMFYSA-N -1 1 352.394 2.490 20 0 FEADMM Cn1[n-]cc2c(=O)c(C(=O)N3CCCN(C)c4ccc(F)cc43)cnc1-2 ZINC000512080445 561891500 /nfs/dbraw/zinc/89/15/00/561891500.db2.gz YGLUSXRNTIHFEY-UHFFFAOYSA-N -1 1 355.373 2.300 20 0 FEADMM CCSc1cc(Cl)ccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363789741 555186744 /nfs/dbraw/zinc/18/67/44/555186744.db2.gz PJNICHLDSZWOLG-LLVKDONJSA-N -1 1 353.835 2.179 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1CC(=O)c1ccco1)c2=O ZINC000512181169 561895066 /nfs/dbraw/zinc/89/50/66/561895066.db2.gz GQHLEOXDDUDCOM-NSHDSACASA-N -1 1 354.366 2.145 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1CC(=O)c1ccco1)c2=O ZINC000512181166 561895167 /nfs/dbraw/zinc/89/51/67/561895167.db2.gz GQHLEOXDDUDCOM-LLVKDONJSA-N -1 1 354.366 2.145 20 0 FEADMM CC(=O)NCc1ccc([C@H]2CCCN2CC(=O)[N-]OCc2ccccc2)o1 ZINC000364069315 555244129 /nfs/dbraw/zinc/24/41/29/555244129.db2.gz AAFUMKLPYFMYMG-GOSISDBHSA-N -1 1 371.437 2.301 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000364117297 555252933 /nfs/dbraw/zinc/25/29/33/555252933.db2.gz JURMOMCAHKIVOX-OAHLLOKOSA-N -1 1 366.483 2.460 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)CN3CCN(C4CC4)C3=O)[nH][n-]2)c1 ZINC000616250988 555284304 /nfs/dbraw/zinc/28/43/04/555284304.db2.gz HIWSQOICLLUCBI-UHFFFAOYSA-N -1 1 357.389 2.363 20 0 FEADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798494 555339212 /nfs/dbraw/zinc/33/92/12/555339212.db2.gz AVBRESZEAMWZDM-RQJHMYQMSA-N -1 1 369.244 2.351 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000512437486 561904904 /nfs/dbraw/zinc/90/49/04/561904904.db2.gz SZWUNKJROWSGOE-DJIMGWMZSA-N -1 1 369.483 2.068 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1 ZINC000512583861 561909703 /nfs/dbraw/zinc/90/97/03/561909703.db2.gz VSFCELXOKYXRFA-UHFFFAOYSA-N -1 1 372.450 2.316 20 0 FEADMM CN1C(=O)CC[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1c1cccc(Cl)c1 ZINC000365090057 555483131 /nfs/dbraw/zinc/48/31/31/555483131.db2.gz RNBLQNKVJZNNFW-ISTRZQFTSA-N -1 1 366.845 2.334 20 0 FEADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1OC ZINC000513110045 561925593 /nfs/dbraw/zinc/92/55/93/561925593.db2.gz JIOQHHQYHKSTLB-UHFFFAOYSA-N -1 1 371.361 2.239 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@]2(CCCCO2)C1 ZINC000365703742 555645275 /nfs/dbraw/zinc/64/52/75/555645275.db2.gz LRXYGSAWGGIQAX-LJQANCHMSA-N -1 1 358.442 2.156 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3nnc(-c4ccccc4)s3)ccnc1-2 ZINC000365773988 555664969 /nfs/dbraw/zinc/66/49/69/555664969.db2.gz CQUVOFRGILEMIY-BKUYFWCQSA-N -1 1 365.422 2.182 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)[C@H]3COc4ccc(Br)cc43)ccnc1-2 ZINC000366177658 555773073 /nfs/dbraw/zinc/77/30/73/555773073.db2.gz DMRZVSMBCNENTB-JBBFIGJUSA-N -1 1 373.210 2.219 20 0 FEADMM CSc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(Cl)cc1Cl ZINC000366184626 555774906 /nfs/dbraw/zinc/77/49/06/555774906.db2.gz WLKROCJBIRCDJS-JTQLQIEISA-N -1 1 374.253 2.442 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC)c1 ZINC000513794254 561950205 /nfs/dbraw/zinc/95/02/05/561950205.db2.gz MMXSXFSFPRMHHU-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(OC)c(Cl)c2)c1 ZINC000513844711 561952018 /nfs/dbraw/zinc/95/20/18/561952018.db2.gz CKJZJRMNVHUASD-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM COCC1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000366421055 555838847 /nfs/dbraw/zinc/83/88/47/555838847.db2.gz ZNTHIAXQRXPPSJ-UHFFFAOYSA-N -1 1 357.410 2.339 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000366908569 555966204 /nfs/dbraw/zinc/96/62/04/555966204.db2.gz DKZTYVOPWOKGPE-WNOSKKOXSA-N -1 1 355.438 2.325 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(C[C@H](O)Cc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000514813641 561981039 /nfs/dbraw/zinc/98/10/39/561981039.db2.gz HDNSZLUDXJYXRX-QWHCGFSZSA-N -1 1 370.375 2.312 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@@]12CCOC2 ZINC000367664300 556108431 /nfs/dbraw/zinc/10/84/31/556108431.db2.gz IPUIWBVLDUGPLB-AWEZNQCLSA-N -1 1 373.190 2.392 20 0 FEADMM O=C(COc1ccccc1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368502254 556328035 /nfs/dbraw/zinc/32/80/35/556328035.db2.gz LOLNXSNQDIVAJX-HNNXBMFYSA-N -1 1 361.764 2.277 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)[C@H](C)C(=O)NCCC(C)C)n2)cc1 ZINC000515506688 562013432 /nfs/dbraw/zinc/01/34/32/562013432.db2.gz ABTNDLKGTPJENL-CYBMUJFWSA-N -1 1 364.471 2.105 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)NCCC(C)C)n[n-]2)cc1 ZINC000515506688 562013433 /nfs/dbraw/zinc/01/34/33/562013433.db2.gz ABTNDLKGTPJENL-CYBMUJFWSA-N -1 1 364.471 2.105 20 0 FEADMM C[C@@H]1CCn2ncc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)c2C1 ZINC000515385849 562008601 /nfs/dbraw/zinc/00/86/01/562008601.db2.gz DMJCIGFDTWNTSS-SNVBAGLBSA-N -1 1 366.418 2.228 20 0 FEADMM CCN(C[C@@H]1CCCO1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000368789417 556413252 /nfs/dbraw/zinc/41/32/52/556413252.db2.gz CZEKYOXJXDQMOG-HNNXBMFYSA-N -1 1 356.426 2.123 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368908431 556444961 /nfs/dbraw/zinc/44/49/61/556444961.db2.gz AOBLFMHDEKOXPY-IBGZPJMESA-N -1 1 368.433 2.399 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(S(C)(=O)=O)cc2)[n-]c1=O ZINC000515748632 562020931 /nfs/dbraw/zinc/02/09/31/562020931.db2.gz NOEUPBMTJLCWLY-PKNBQFBNSA-N -1 1 362.407 2.323 20 0 FEADMM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C2 ZINC000369032413 556482849 /nfs/dbraw/zinc/48/28/49/556482849.db2.gz KBLXYAQWERWASS-SNVBAGLBSA-N -1 1 357.357 2.038 20 0 FEADMM COc1cc(NC(=O)c2cn(C)nc2C(C)C)ccc1[N-]S(C)(=O)=O ZINC000515789739 562021984 /nfs/dbraw/zinc/02/19/84/562021984.db2.gz UNJGXCKEJBBMQI-UHFFFAOYSA-N -1 1 366.443 2.176 20 0 FEADMM CC[C@H](C)[C@@H](OC)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369091295 556502453 /nfs/dbraw/zinc/50/24/53/556502453.db2.gz IECIOQZWXZWMMD-AQUOVQTQSA-N -1 1 355.801 2.259 20 0 FEADMM CC[C@H](C)[C@@H](OC)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369091302 556502605 /nfs/dbraw/zinc/50/26/05/556502605.db2.gz IECIOQZWXZWMMD-ZEGGKSINSA-N -1 1 355.801 2.259 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369479819 556608327 /nfs/dbraw/zinc/60/83/27/556608327.db2.gz FLNIIJWOPGQIMH-UHFFFAOYSA-N -1 1 350.378 2.003 20 0 FEADMM O=S(=O)([N-][C@H]1Cc2ccccc2[C@@H]1O)c1c(Cl)ccnc1Cl ZINC000370233352 556818020 /nfs/dbraw/zinc/81/80/20/556818020.db2.gz OMKFAKNRQMYEIB-RYUDHWBXSA-N -1 1 359.234 2.325 20 0 FEADMM CN(C(=O)c1ncccc1[O-])C1CCN(c2ncnc3ccccc32)CC1 ZINC000370440241 556873951 /nfs/dbraw/zinc/87/39/51/556873951.db2.gz WQYAWXFSIGDZQK-UHFFFAOYSA-N -1 1 363.421 2.471 20 0 FEADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000370705026 556945074 /nfs/dbraw/zinc/94/50/74/556945074.db2.gz DCZOARFXJQYJRJ-JQWIXIFHSA-N -1 1 361.316 2.204 20 0 FEADMM O=C(c1ccc(Oc2ccccc2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370891427 557005168 /nfs/dbraw/zinc/00/51/68/557005168.db2.gz JSIYLBVQUQQQJQ-INIZCTEOSA-N -1 1 351.366 2.206 20 0 FEADMM O=C(NC[C@@H](O)C1CC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370925606 557018539 /nfs/dbraw/zinc/01/85/39/557018539.db2.gz WUKHQSDXDIRTRU-ZWKOTPCHSA-N -1 1 368.433 2.037 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@@]1(CO)CCCO1)c1cc2cc(F)ccc2o1 ZINC000517072124 562074713 /nfs/dbraw/zinc/07/47/13/562074713.db2.gz AAJHUIHSRFNLIW-SJORKVTESA-N -1 1 369.414 2.170 20 0 FEADMM O=C(N=c1[n-]nc(-c2cc3ccccc3o2)s1)NCCN1CC[C@@H](O)C1 ZINC000626531123 557105235 /nfs/dbraw/zinc/10/52/35/557105235.db2.gz QROXFDOOHHFLFT-GFCCVEGCSA-N -1 1 373.438 2.139 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N(C)c1ccc(Br)cc1F ZINC000517263431 562083272 /nfs/dbraw/zinc/08/32/72/562083272.db2.gz LCPYYFBXIQPJRG-UHFFFAOYSA-N -1 1 364.196 2.292 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2)C[C@H]1c1ccccc1 ZINC000517395160 562088616 /nfs/dbraw/zinc/08/86/16/562088616.db2.gz CICIWZIWFRHLDH-OTWHNJEPSA-N -1 1 350.418 2.028 20 0 FEADMM CCc1nc(SCC(=O)NC[C@H]2Cc3ccccc3O2)[n-]c(=O)c1C ZINC000517758767 562097306 /nfs/dbraw/zinc/09/73/06/562097306.db2.gz DFRJNOCIWOZCGC-CYBMUJFWSA-N -1 1 359.451 2.265 20 0 FEADMM COc1cc(NC(=O)[C@@H](C)n2nc(C)cc2C)ccc1[N-]S(C)(=O)=O ZINC000518026314 562102891 /nfs/dbraw/zinc/10/28/91/562102891.db2.gz SREMGIXAFKIJQX-GFCCVEGCSA-N -1 1 366.443 2.080 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000371817833 557302660 /nfs/dbraw/zinc/30/26/60/557302660.db2.gz XZTWZIWFTILMPA-YPMHNXCESA-N -1 1 368.227 2.365 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)o1 ZINC000372057880 557368776 /nfs/dbraw/zinc/36/87/76/557368776.db2.gz LJMCXIWZFHICIY-UHFFFAOYSA-N -1 1 373.390 2.002 20 0 FEADMM CCN1CCc2c(cccc2[N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000372486606 557483186 /nfs/dbraw/zinc/48/31/86/557483186.db2.gz XQGZIAUVSJLDFB-UHFFFAOYSA-N -1 1 370.425 2.327 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)sc1C ZINC000372958170 557597382 /nfs/dbraw/zinc/59/73/82/557597382.db2.gz SVNAFAOZNIEHOO-QMTHXVAHSA-N -1 1 365.480 3.074 20 0 FEADMM C[C@H]([N-]S(=O)(=O)Cc1ccon1)c1nc(-c2cccc(F)c2)no1 ZINC000373108741 557630221 /nfs/dbraw/zinc/63/02/21/557630221.db2.gz JRIHQKNVBWFVQC-VIFPVBQESA-N -1 1 352.347 2.044 20 0 FEADMM Cn1[n-]c(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc1=O ZINC000519861109 562146898 /nfs/dbraw/zinc/14/68/98/562146898.db2.gz HBCWMKFWMCTFGU-ZDUSSCGKSA-N -1 1 370.375 2.479 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@]4(C3)C(=O)Nc3ccccc34)cnc2n1 ZINC000373534923 557713249 /nfs/dbraw/zinc/71/32/49/557713249.db2.gz PLRAAOLJJQTRPR-NRFANRHFSA-N -1 1 374.400 2.380 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@]3(C1)c1ccccc1NC3=O)c2=O ZINC000373534923 557713251 /nfs/dbraw/zinc/71/32/51/557713251.db2.gz PLRAAOLJJQTRPR-NRFANRHFSA-N -1 1 374.400 2.380 20 0 FEADMM Cc1cc(C)nc(C2CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CC2)n1 ZINC000373572794 557720730 /nfs/dbraw/zinc/72/07/30/557720730.db2.gz ALZIWCOZOOAKRA-UHFFFAOYSA-N -1 1 366.425 2.101 20 0 FEADMM O=C(CN1CCC(N=c2[n-]nc(-c3ccccc3)s2)CC1)N1CCCC1 ZINC000373970890 557798707 /nfs/dbraw/zinc/79/87/07/557798707.db2.gz WKZOEPSKWXRLMH-UHFFFAOYSA-N -1 1 371.510 2.704 20 0 FEADMM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1c[nH]c2ccccc2c1=O ZINC000374021479 557809152 /nfs/dbraw/zinc/80/91/52/557809152.db2.gz FOOUCUPKDQHDFE-GOSISDBHSA-N -1 1 361.401 2.059 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c1 ZINC000374405882 557879856 /nfs/dbraw/zinc/87/98/56/557879856.db2.gz XXNHECQVMZUSDC-CYBMUJFWSA-N -1 1 354.362 2.268 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)c1 ZINC000374496075 557891434 /nfs/dbraw/zinc/89/14/34/557891434.db2.gz MBHVSWUPUIQMBK-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)c3ccc4n[n-]c(=S)n4c3)c2)n[nH]1 ZINC000375102426 557978133 /nfs/dbraw/zinc/97/81/33/557978133.db2.gz TVADIFLWCCFILT-UHFFFAOYSA-N -1 1 351.395 2.364 20 0 FEADMM Cn1cnnc1-c1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000375101552 557978326 /nfs/dbraw/zinc/97/83/26/557978326.db2.gz QPVDKKSVFGPWNB-UHFFFAOYSA-N -1 1 351.395 2.066 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CCN(c3ccn(C)n3)C2)cc(Cl)c1[O-] ZINC000375154536 557984688 /nfs/dbraw/zinc/98/46/88/557984688.db2.gz UBTLMJBECHJVJI-GFCCVEGCSA-N -1 1 364.833 2.187 20 0 FEADMM Cc1cnc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000375251017 557998924 /nfs/dbraw/zinc/99/89/24/557998924.db2.gz QBBDAFAWHDIVGF-UHFFFAOYSA-N -1 1 373.434 2.217 20 0 FEADMM CN(C[C@@H]1C[C@H](F)CN1C(=O)c1ncccc1[O-])C(=O)OC(C)(C)C ZINC000375872713 558091875 /nfs/dbraw/zinc/09/18/75/558091875.db2.gz KURDFTOFCIBTGO-RYUDHWBXSA-N -1 1 353.394 2.207 20 0 FEADMM Cc1nc2n(n1)C[C@@H](N=c1nc(C(Cl)(Cl)Cl)[n-]s1)CC2 ZINC000376224213 558143969 /nfs/dbraw/zinc/14/39/69/558143969.db2.gz YXQVHKJTLCILHM-LURJTMIESA-N -1 1 353.666 2.114 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CSC[C@@H]1C ZINC000376404102 558168896 /nfs/dbraw/zinc/16/88/96/558168896.db2.gz UQYQRNOQJSHRMG-NHYWBVRUSA-N -1 1 358.467 2.353 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@@](C)(c4ccccc4)C3)ccnc1-2 ZINC000376606089 558196843 /nfs/dbraw/zinc/19/68/43/558196843.db2.gz KDCJVRQOVPGFDE-OSEFQUDUSA-N -1 1 351.410 2.121 20 0 FEADMM Cc1cc([C@@H]2CN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CCO2)ccc1F ZINC000376676281 558206467 /nfs/dbraw/zinc/20/64/67/558206467.db2.gz ZRFLXTDLWVIHAX-HEQHKCQXSA-N -1 1 369.400 2.395 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)ccnc1-2 ZINC000376700336 558210304 /nfs/dbraw/zinc/21/03/04/558210304.db2.gz MSAFTPUZTPNDDS-CYMZXICGSA-N -1 1 364.453 2.080 20 0 FEADMM CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000521907065 562186160 /nfs/dbraw/zinc/18/61/60/562186160.db2.gz JXDVKBQNKFPWFF-SSDOTTSWSA-N -1 1 366.365 2.163 20 0 FEADMM Cc1cc(C)c(N2CC[C@@H](N3CCC(c4n[nH]c(=O)[n-]4)CC3)C2=O)c(C)c1 ZINC000377594419 558373307 /nfs/dbraw/zinc/37/33/07/558373307.db2.gz SZTPEPAIWCDJGB-MRXNPFEDSA-N -1 1 369.469 2.420 20 0 FEADMM COc1ccc2cc([C@H](C)C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)ccc2c1 ZINC000377597257 558373717 /nfs/dbraw/zinc/37/37/17/558373717.db2.gz AFOYVCRVHUBWOP-YVEFUNNKSA-N -1 1 367.409 2.065 20 0 FEADMM Cc1nc(-c2ccc(N3CCC[C@H]3Cn3cncn3)nc2)[n-]c(=O)c1C ZINC000377837015 558431991 /nfs/dbraw/zinc/43/19/91/558431991.db2.gz ICWVHOVCTLTPPY-HNNXBMFYSA-N -1 1 351.414 2.122 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)c1C ZINC000522743641 562203092 /nfs/dbraw/zinc/20/30/92/562203092.db2.gz FNXNDOFNJQMIOG-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)ccc1C ZINC000522879328 562205299 /nfs/dbraw/zinc/20/52/99/562205299.db2.gz GHTQNFNNXCTNOQ-UHFFFAOYSA-N -1 1 371.422 2.335 20 0 FEADMM COCCn1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c2ccccc21 ZINC000522929234 562206237 /nfs/dbraw/zinc/20/62/37/562206237.db2.gz HNASLSCTSVGIBR-UHFFFAOYSA-N -1 1 354.414 2.000 20 0 FEADMM C[C@H]1OCCN(C(=O)c2ccc(I)c([O-])c2)[C@@H]1C ZINC000380386645 558602915 /nfs/dbraw/zinc/60/29/15/558602915.db2.gz SGGNAVQZLYSGES-RKDXNWHRSA-N -1 1 361.179 2.246 20 0 FEADMM O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000407995040 558636658 /nfs/dbraw/zinc/63/66/58/558636658.db2.gz GKNRIBBJNDDQPA-ZYHUDNBSSA-N -1 1 363.801 2.386 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)cnc2n1 ZINC000408132641 558650103 /nfs/dbraw/zinc/65/01/03/558650103.db2.gz LNDCAUUEPSRGMW-AWEZNQCLSA-N -1 1 368.437 2.118 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)c[n-]c2n1 ZINC000408132641 558650106 /nfs/dbraw/zinc/65/01/06/558650106.db2.gz LNDCAUUEPSRGMW-AWEZNQCLSA-N -1 1 368.437 2.118 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000410304395 558750683 /nfs/dbraw/zinc/75/06/83/558750683.db2.gz GNYGHHZIIPSQIT-RYUDHWBXSA-N -1 1 366.343 2.839 20 0 FEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000410380305 558753864 /nfs/dbraw/zinc/75/38/64/558753864.db2.gz IQICQUCZGIAARG-UHFFFAOYSA-N -1 1 352.799 2.270 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000526060272 562265603 /nfs/dbraw/zinc/26/56/03/562265603.db2.gz UHWALJUHDYSOIW-HNNXBMFYSA-N -1 1 354.472 2.027 20 0 FEADMM CCNC(=O)c1ccc(=NCC2(c3ccc(Cl)cc3)CCOCC2)[n-]n1 ZINC000413070155 559074846 /nfs/dbraw/zinc/07/48/46/559074846.db2.gz HXJLOXRRKBDOSU-UHFFFAOYSA-N -1 1 374.872 3.040 20 0 FEADMM CO[C@](C)([C@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000413966763 559143870 /nfs/dbraw/zinc/14/38/70/559143870.db2.gz ZVYAMKTWHCNGMO-APPDUMDISA-N -1 1 353.488 2.465 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000414473246 559167188 /nfs/dbraw/zinc/16/71/88/559167188.db2.gz ANTLJVQKZGXTEI-LBPRGKRZSA-N -1 1 355.382 2.100 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC/C=C\c2ccc(F)cc2F)C1=O ZINC000414648303 559177074 /nfs/dbraw/zinc/17/70/74/559177074.db2.gz CVTXFIQDULOFKX-JGPFYOFESA-N -1 1 352.381 2.278 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2cccc(OC(F)F)c2)C1=O ZINC000414657870 559177852 /nfs/dbraw/zinc/17/78/52/559177852.db2.gz MHBCMMBGIRACMW-ZIAGYGMSSA-N -1 1 356.369 2.088 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc2)cc1 ZINC000527270236 562283240 /nfs/dbraw/zinc/28/32/40/562283240.db2.gz RWCZJUCMZDHPDT-PIIMJCKOSA-N -1 1 372.446 2.170 20 0 FEADMM CC[C@@H](C)[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1nc2ccccc2[nH]1 ZINC000416133753 559293478 /nfs/dbraw/zinc/29/34/78/559293478.db2.gz MKXFWOGBQZZKNL-SKDRFNHKSA-N -1 1 371.397 2.290 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(C)cc1OC(C)(C)C ZINC000416175152 559296416 /nfs/dbraw/zinc/29/64/16/559296416.db2.gz ANTARVOCVDCLQJ-UHFFFAOYSA-N -1 1 361.398 2.312 20 0 FEADMM CO[C@@H](CC(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000416181074 559296665 /nfs/dbraw/zinc/29/66/65/559296665.db2.gz RAEGXISYNBUMSK-INIZCTEOSA-N -1 1 370.471 2.176 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000416196192 559297745 /nfs/dbraw/zinc/29/77/45/559297745.db2.gz WHFXSRSDIAPCFO-LLVKDONJSA-N -1 1 357.410 2.481 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccc(C)o1 ZINC000416412448 559311093 /nfs/dbraw/zinc/31/10/93/559311093.db2.gz CXGORTUMTJDLGV-AAEUAGOBSA-N -1 1 353.444 2.348 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(CC)C2)c(F)c1 ZINC000416519051 559319526 /nfs/dbraw/zinc/31/95/26/559319526.db2.gz LYNBLRIYGXOIJC-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@H]1CCCOC1)c1cc(Cl)sc1Cl ZINC000416621022 559325695 /nfs/dbraw/zinc/32/56/95/559325695.db2.gz YREHUPQPLDRGKI-YUMQZZPRSA-N -1 1 360.284 2.121 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417591362 559368515 /nfs/dbraw/zinc/36/85/15/559368515.db2.gz GFLVMZOXNANZBP-GOSISDBHSA-N -1 1 353.426 2.197 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C ZINC000420752353 559502260 /nfs/dbraw/zinc/50/22/60/559502260.db2.gz PYAPXBYEDQRBKK-IRXDYDNUSA-N -1 1 371.499 2.140 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(C)c1 ZINC000421157727 559527518 /nfs/dbraw/zinc/52/75/18/559527518.db2.gz RCODCFWCLBQEAC-OAHLLOKOSA-N -1 1 356.488 2.500 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SCCC(N)=O ZINC000421159014 559527668 /nfs/dbraw/zinc/52/76/68/559527668.db2.gz SYLCTBCSSHUAKQ-CYBMUJFWSA-N -1 1 374.528 2.457 20 0 FEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccnc1NC(C)=O ZINC000421244470 559533266 /nfs/dbraw/zinc/53/32/66/559533266.db2.gz GFHYGZSUCQDEQT-HNNXBMFYSA-N -1 1 363.439 2.039 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)co1 ZINC000422050765 559562969 /nfs/dbraw/zinc/56/29/69/559562969.db2.gz YDYPEVYJMKLDQG-UHFFFAOYSA-N -1 1 362.407 2.349 20 0 FEADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1 ZINC000424062518 559653282 /nfs/dbraw/zinc/65/32/82/559653282.db2.gz GTDKHNHUHDPMNB-CYBMUJFWSA-N -1 1 354.472 2.383 20 0 FEADMM CC(C)(CCNC(=O)N1CCC(CCCN2CCOCC2)CC1)C(=O)[O-] ZINC000424402570 559663136 /nfs/dbraw/zinc/66/31/36/559663136.db2.gz HMNOBBAIKTZDRU-UHFFFAOYSA-N -1 1 369.506 2.021 20 0 FEADMM C[C@H]1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@H]1C(=O)OC(C)(C)C ZINC000425035887 559684555 /nfs/dbraw/zinc/68/45/55/559684555.db2.gz IDDGXSGWSCJEAY-SMDDNHRTSA-N -1 1 374.441 2.256 20 0 FEADMM COc1cc(NC(=O)[C@H]2CCc3cccnc32)ccc1[N-]S(C)(=O)=O ZINC000425140991 559688395 /nfs/dbraw/zinc/68/83/95/559688395.db2.gz FTRLSFKMWJRZED-ZDUSSCGKSA-N -1 1 361.423 2.130 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2nccn2C)C(C)(C)CO)c(F)c1 ZINC000425184453 559689946 /nfs/dbraw/zinc/68/99/46/559689946.db2.gz IWRJKYLDPZIAQG-AWEZNQCLSA-N -1 1 373.425 2.045 20 0 FEADMM CC(C)C(=O)N1CCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425202551 559690988 /nfs/dbraw/zinc/69/09/88/559690988.db2.gz PKVNVUPMFDMGDD-INIZCTEOSA-N -1 1 353.470 2.954 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@H](NC(=O)N(C)C)C2)n[n-]1)c1ccccc1 ZINC000425266172 559694237 /nfs/dbraw/zinc/69/42/37/559694237.db2.gz HBNCZOVMBZMVEU-WBVHZDCISA-N -1 1 368.485 2.890 20 0 FEADMM COc1cc(OC2CC2)ccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425310565 559695990 /nfs/dbraw/zinc/69/59/90/559695990.db2.gz XNHKWUXVZUBFES-NSHDSACASA-N -1 1 359.382 2.345 20 0 FEADMM O=C(Cc1cc(Cl)cc2c1OCC2)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425309317 559696036 /nfs/dbraw/zinc/69/60/36/559696036.db2.gz VWIXYDXHFFQPSM-LLVKDONJSA-N -1 1 363.801 2.312 20 0 FEADMM COC(=O)c1cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc2[nH]ccc21 ZINC000425981670 559726711 /nfs/dbraw/zinc/72/67/11/559726711.db2.gz SFYLDMHDGFQMHB-UHFFFAOYSA-N -1 1 365.349 2.194 20 0 FEADMM COCCC1(C)CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000426170752 559730968 /nfs/dbraw/zinc/73/09/68/559730968.db2.gz DPJRNLQARFDQRS-UHFFFAOYSA-N -1 1 370.453 2.370 20 0 FEADMM O=C([O-])c1coc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000426688285 559740261 /nfs/dbraw/zinc/74/02/61/559740261.db2.gz PBOAAYIHRNPXOJ-UHFFFAOYSA-N -1 1 355.350 2.429 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)o1 ZINC000426880140 559743590 /nfs/dbraw/zinc/74/35/90/559743590.db2.gz ZOFJWGNVCULUBR-NSHDSACASA-N -1 1 354.432 2.244 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000427150524 559749162 /nfs/dbraw/zinc/74/91/62/559749162.db2.gz QGZCAVXWHAZBAO-NSHDSACASA-N -1 1 352.793 2.469 20 0 FEADMM Cc1cnc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000427541377 559757612 /nfs/dbraw/zinc/75/76/12/559757612.db2.gz PVFIUEHNHMKZCR-CXAGYDPISA-N -1 1 361.348 2.076 20 0 FEADMM CCOC(=O)[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC)c(F)c1 ZINC000427823447 559763478 /nfs/dbraw/zinc/76/34/78/559763478.db2.gz UBOIMSCQCLEBKS-HNNXBMFYSA-N -1 1 362.357 2.278 20 0 FEADMM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000427967703 559766553 /nfs/dbraw/zinc/76/65/53/559766553.db2.gz CVOHQYHNRBQZKK-LBPRGKRZSA-N -1 1 367.471 2.454 20 0 FEADMM CC[C@]1(O)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000428729726 559781871 /nfs/dbraw/zinc/78/18/71/559781871.db2.gz VAADHUYQYGYSAW-IBGZPJMESA-N -1 1 374.462 2.474 20 0 FEADMM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430330168 559817949 /nfs/dbraw/zinc/81/79/49/559817949.db2.gz INVOJSBXFFBJHJ-UHFFFAOYSA-N -1 1 374.408 2.050 20 0 FEADMM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000431619833 559842645 /nfs/dbraw/zinc/84/26/45/559842645.db2.gz JAGKPDHBIBQUSR-SNVBAGLBSA-N -1 1 350.843 2.310 20 0 FEADMM CCC[C@@H](C)C(=O)NCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000431496208 559840295 /nfs/dbraw/zinc/84/02/95/559840295.db2.gz MMSZULMURLWNCN-GFCCVEGCSA-N -1 1 357.458 2.825 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000431639597 559843117 /nfs/dbraw/zinc/84/31/17/559843117.db2.gz MBKVSWAPADCOFG-YEORSEQZSA-N -1 1 353.371 2.430 20 0 FEADMM NC(=O)c1csc(=NCc2ccc(OCCOc3ccccc3)nc2)[n-]1 ZINC000432329393 559856661 /nfs/dbraw/zinc/85/66/61/559856661.db2.gz PDZDYNRSGMJNSO-UHFFFAOYSA-N -1 1 370.434 2.707 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H](C)C3CC3)c2)n1 ZINC000432642019 559862398 /nfs/dbraw/zinc/86/23/98/559862398.db2.gz KNGZVDXPYSPAKJ-LLVKDONJSA-N -1 1 357.414 2.246 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NCCCOC2CCCCC2)n1 ZINC000432672894 559862929 /nfs/dbraw/zinc/86/29/29/559862929.db2.gz VHNLJSUKACHTJH-UHFFFAOYSA-N -1 1 355.460 2.144 20 0 FEADMM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)C(=O)OCC ZINC000433474948 559882739 /nfs/dbraw/zinc/88/27/39/559882739.db2.gz NJELPCRGGVEJRZ-VIFPVBQESA-N -1 1 368.249 2.300 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000434272495 559896808 /nfs/dbraw/zinc/89/68/08/559896808.db2.gz USIFDZOTLTVDQS-UHFFFAOYSA-N -1 1 365.397 2.326 20 0 FEADMM CCCN(CC(C)(C)O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000435118053 559916652 /nfs/dbraw/zinc/91/66/52/559916652.db2.gz IOCBGOSNLAMKMN-UHFFFAOYSA-N -1 1 373.475 2.082 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1F ZINC000435144153 559917120 /nfs/dbraw/zinc/91/71/20/559917120.db2.gz APFORJABKCIUNB-LBPRGKRZSA-N -1 1 364.398 2.239 20 0 FEADMM NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435425676 559922492 /nfs/dbraw/zinc/92/24/92/559922492.db2.gz ZRXBIKFFCIJSDN-KCJUWKMLSA-N -1 1 369.245 2.455 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 ZINC000435448441 559923390 /nfs/dbraw/zinc/92/33/90/559923390.db2.gz WBPHDBPQVQZUSV-JTQLQIEISA-N -1 1 356.202 2.362 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000436503429 559943442 /nfs/dbraw/zinc/94/34/42/559943442.db2.gz KESHFXAARIXCOA-SFHVURJKSA-N -1 1 370.405 2.018 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)c1 ZINC000436512076 559943870 /nfs/dbraw/zinc/94/38/70/559943870.db2.gz XQQSQXQXBUDZKK-LBPRGKRZSA-N -1 1 366.439 2.065 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1cc(F)ccc1[O-])Cc1ccccc1OC ZINC000436516411 559944033 /nfs/dbraw/zinc/94/40/33/559944033.db2.gz UNNGUROVJUAHMN-ZDUSSCGKSA-N -1 1 361.369 2.302 20 0 FEADMM COC(=O)[C@H](CNC(=O)c1cc(F)ccc1[O-])Oc1ccc(F)cc1 ZINC000436524687 559944220 /nfs/dbraw/zinc/94/42/20/559944220.db2.gz JUDFSGUCNLCYPE-HNNXBMFYSA-N -1 1 351.305 2.021 20 0 FEADMM CC[C@@H](C(=O)OC)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436531008 559944629 /nfs/dbraw/zinc/94/46/29/559944629.db2.gz CGAVVYSSBRNVKC-KRWDZBQOSA-N -1 1 356.422 2.255 20 0 FEADMM NC(=O)[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC000436540579 559944922 /nfs/dbraw/zinc/94/49/22/559944922.db2.gz SFNXGZAJHKHILU-ZDUSSCGKSA-N -1 1 367.174 2.250 20 0 FEADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1(S(C)(=O)=O)CC1 ZINC000436648404 559947722 /nfs/dbraw/zinc/94/77/22/559947722.db2.gz QGKNEYVCJYXPKN-QMMMGPOBSA-N -1 1 351.346 2.107 20 0 FEADMM O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000436676349 559948594 /nfs/dbraw/zinc/94/85/94/559948594.db2.gz ONNNAKBJWKXHBF-MRXNPFEDSA-N -1 1 356.397 2.495 20 0 FEADMM CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436700327 559949223 /nfs/dbraw/zinc/94/92/23/559949223.db2.gz VDTQMSNVDHUOEM-UHFFFAOYSA-N -1 1 362.407 2.365 20 0 FEADMM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000436744250 559950739 /nfs/dbraw/zinc/95/07/39/559950739.db2.gz KUPGFJJIXSOFLH-BSEYFRJRSA-N -1 1 367.858 2.208 20 0 FEADMM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436782228 559951764 /nfs/dbraw/zinc/95/17/64/559951764.db2.gz MTKUXTHCIDIWOJ-LBPRGKRZSA-N -1 1 355.232 2.238 20 0 FEADMM NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436796279 559952181 /nfs/dbraw/zinc/95/21/81/559952181.db2.gz VVJQXJUDKHETNK-UHFFFAOYSA-N -1 1 360.313 2.311 20 0 FEADMM CC(C)CN1CCN(C(=O)c2ccc(Br)cc2[O-])[C@@H](C)C1=O ZINC000436833196 559953521 /nfs/dbraw/zinc/95/35/21/559953521.db2.gz JONRCSBJPCJCMJ-NSHDSACASA-N -1 1 369.259 2.484 20 0 FEADMM O=C(C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)c1ccc([O-])cc1 ZINC000436912845 559956259 /nfs/dbraw/zinc/95/62/59/559956259.db2.gz UKCAMMUGPAWUAB-UHFFFAOYSA-N -1 1 357.381 2.310 20 0 FEADMM COc1cccc([C@H](C)N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436979690 559958375 /nfs/dbraw/zinc/95/83/75/559958375.db2.gz LCKPDFXGCMHIGW-HNNXBMFYSA-N -1 1 368.433 2.489 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000436993466 559959065 /nfs/dbraw/zinc/95/90/65/559959065.db2.gz CJHAPEIQRZPSBE-UHFFFAOYSA-N -1 1 353.783 2.495 20 0 FEADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2O1 ZINC000442849807 560059790 /nfs/dbraw/zinc/05/97/90/560059790.db2.gz UTQRHZHBOARAJJ-KRWDZBQOSA-N -1 1 362.407 2.484 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)o1 ZINC000443320143 560079740 /nfs/dbraw/zinc/07/97/40/560079740.db2.gz YNRWDRDXKKUGTE-CYBMUJFWSA-N -1 1 359.444 2.066 20 0 FEADMM COc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000443325797 560079986 /nfs/dbraw/zinc/07/99/86/560079986.db2.gz YQGGBZNLRUGCBW-TZMCWYRMSA-N -1 1 373.858 2.236 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)o1 ZINC000443493604 560085444 /nfs/dbraw/zinc/08/54/44/560085444.db2.gz RPMSCFVSGVEVAE-CHWSQXEVSA-N -1 1 359.444 2.066 20 0 FEADMM Cc1nc2ncnn2c(C)c1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480351 560132359 /nfs/dbraw/zinc/13/23/59/560132359.db2.gz JNJDOWNYJOZHHJ-UHFFFAOYSA-N -1 1 354.345 2.421 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)co1 ZINC000446373973 560145253 /nfs/dbraw/zinc/14/52/53/560145253.db2.gz BVIPQSFMUNVOHH-ZDUSSCGKSA-N -1 1 350.440 2.199 20 0 FEADMM C[C@H](c1nnnn1C1CC1)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447479062 560162899 /nfs/dbraw/zinc/16/28/99/560162899.db2.gz DAJIAJUOQTUAEH-SECBINFHSA-N -1 1 362.390 2.072 20 0 FEADMM C[C@H](c1nnnn1C1CC1)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447479062 560162900 /nfs/dbraw/zinc/16/29/00/560162900.db2.gz DAJIAJUOQTUAEH-SECBINFHSA-N -1 1 362.390 2.072 20 0 FEADMM O=C(CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)NC1CCCC1 ZINC000447492098 560163238 /nfs/dbraw/zinc/16/32/38/560163238.db2.gz MKTHVQNLPCGPGC-UHFFFAOYSA-N -1 1 351.403 2.048 20 0 FEADMM O=C(CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1)NC1CCCC1 ZINC000447492098 560163239 /nfs/dbraw/zinc/16/32/39/560163239.db2.gz MKTHVQNLPCGPGC-UHFFFAOYSA-N -1 1 351.403 2.048 20 0 FEADMM O=C(CN1CCc2ccccc2C1=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000448033742 560176457 /nfs/dbraw/zinc/17/64/57/560176457.db2.gz DOKXZWVJBLYSDE-UHFFFAOYSA-N -1 1 352.419 2.775 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)c2cn(C)nc2-c2ccoc2)c1Br ZINC000448319196 560184173 /nfs/dbraw/zinc/18/41/73/560184173.db2.gz PTDQLQJSUQOAET-UHFFFAOYSA-N -1 1 364.203 2.980 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)sc1C ZINC000450876532 560276385 /nfs/dbraw/zinc/27/63/85/560276385.db2.gz WWIIOBOFRFAFHE-MBNYWOFBSA-N -1 1 364.471 3.044 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CCC1 ZINC000451285112 560298190 /nfs/dbraw/zinc/29/81/90/560298190.db2.gz MKHDCQQUXKVLBE-UHFFFAOYSA-N -1 1 354.403 2.157 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000451945566 560339905 /nfs/dbraw/zinc/33/99/05/560339905.db2.gz JIWDKYQQTXDYRW-BDAKNGLRSA-N -1 1 366.233 2.052 20 0 FEADMM C[C@@H](F)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452150251 560353833 /nfs/dbraw/zinc/35/38/33/560353833.db2.gz NHZJBJYBNJHLJM-MRVPVSSYSA-N -1 1 357.234 2.136 20 0 FEADMM CCOC(=O)[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC12COC2 ZINC000452228869 560355774 /nfs/dbraw/zinc/35/57/74/560355774.db2.gz OKASVFJYPJHTEA-INIZCTEOSA-N -1 1 355.390 2.197 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3cccc(C)c3CC2(C)C)o1 ZINC000452976776 560379777 /nfs/dbraw/zinc/37/97/77/560379777.db2.gz JDBZLZCSVHJCME-UHFFFAOYSA-N -1 1 362.451 2.473 20 0 FEADMM CCO[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000454775522 560457743 /nfs/dbraw/zinc/45/77/43/560457743.db2.gz NZYICGBYCVRPDZ-TZMCWYRMSA-N -1 1 371.459 2.146 20 0 FEADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H](C)O ZINC000456193876 560510472 /nfs/dbraw/zinc/51/04/72/560510472.db2.gz PKHCYHUXIKXLRO-GUYCJALGSA-N -1 1 362.451 2.377 20 0 FEADMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781374 560532716 /nfs/dbraw/zinc/53/27/16/560532716.db2.gz CRMSBGJYNKKWGQ-NSHDSACASA-N -1 1 362.398 2.203 20 0 FEADMM COc1ccnc(N2CCC(C(=O)Nc3ccc([O-])c(F)c3F)CC2)n1 ZINC000456795876 560533089 /nfs/dbraw/zinc/53/30/89/560533089.db2.gz VPDSTKJUIMSHRT-UHFFFAOYSA-N -1 1 364.352 2.324 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cccc(Cl)c3C2)co1 ZINC000458010174 560598918 /nfs/dbraw/zinc/59/89/18/560598918.db2.gz HRWFKKDFMZLPMX-UHFFFAOYSA-N -1 1 354.815 2.040 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000458238296 560610548 /nfs/dbraw/zinc/61/05/48/560610548.db2.gz RTGHCOFFRDZJAA-CHWSQXEVSA-N -1 1 351.472 2.219 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000458239332 560610801 /nfs/dbraw/zinc/61/08/01/560610801.db2.gz SJTBPSYWKAHFBS-LSDHHAIUSA-N -1 1 358.442 2.058 20 0 FEADMM COc1cc(NC(=O)N[C@H]2C[C@@H](OC(C)C)C2)ccc1[N-]S(C)(=O)=O ZINC000459420113 560685409 /nfs/dbraw/zinc/68/54/09/560685409.db2.gz XTELQUBBWOHEEI-BETUJISGSA-N -1 1 371.459 2.144 20 0 FEADMM COc1cc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc(Cl)c1[O-] ZINC000460182837 560737143 /nfs/dbraw/zinc/73/71/43/560737143.db2.gz HHGKRMRJLNPJHK-LBPRGKRZSA-N -1 1 370.858 2.096 20 0 FEADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000460578720 560746530 /nfs/dbraw/zinc/74/65/30/560746530.db2.gz BZOCTLCZSPKLQR-VXGBXAGGSA-N -1 1 358.460 2.044 20 0 FEADMM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc(=O)n2[n-]cnc2n1 ZINC000461107479 560761480 /nfs/dbraw/zinc/76/14/80/560761480.db2.gz JKHUKMCKMRPLGZ-UHFFFAOYSA-N -1 1 372.797 2.447 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2OC(F)F)c1 ZINC000461460884 560772475 /nfs/dbraw/zinc/77/24/75/560772475.db2.gz PAPFGZOHKFLLLP-UHFFFAOYSA-N -1 1 372.349 2.154 20 0 FEADMM CC(C)c1ccc(-c2noc(CCC(=O)NC(C)(C)c3nn[n-]n3)n2)cc1 ZINC000461636994 560778416 /nfs/dbraw/zinc/77/84/16/560778416.db2.gz VOSWHIANDVKQKN-UHFFFAOYSA-N -1 1 369.429 2.357 20 0 FEADMM Cc1cccc(-n2ccnc2SCC(=O)NC(C)(C)c2nn[n-]n2)c1C ZINC000461638888 560778543 /nfs/dbraw/zinc/77/85/43/560778543.db2.gz ZLCHDXHMJJOGPH-UHFFFAOYSA-N -1 1 371.470 2.146 20 0 FEADMM COC[C@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000461796694 560784134 /nfs/dbraw/zinc/78/41/34/560784134.db2.gz NVFAOFPCBUFNIS-QWHCGFSZSA-N -1 1 370.471 2.034 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1 ZINC000462104154 560797309 /nfs/dbraw/zinc/79/73/09/560797309.db2.gz QULRORFCIVMJEQ-HSZRJFAPSA-N -1 1 369.464 2.250 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2OC)o1 ZINC000462305742 560805111 /nfs/dbraw/zinc/80/51/11/560805111.db2.gz MEPZLIDAPOIPRG-YOEHRIQHSA-N -1 1 365.407 2.083 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@](C)(OC)C3CC3)c2)n1 ZINC000462322897 560805711 /nfs/dbraw/zinc/80/57/11/560805711.db2.gz RNJGNTLYNAHCOW-LJQANCHMSA-N -1 1 372.425 2.080 20 0 FEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)on1 ZINC000462391764 560808376 /nfs/dbraw/zinc/80/83/76/560808376.db2.gz DROJHZDYTXRAMD-UHFFFAOYSA-N -1 1 356.400 2.436 20 0 FEADMM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000464187508 560835037 /nfs/dbraw/zinc/83/50/37/560835037.db2.gz CXSDGGIFCALULF-UHFFFAOYSA-N -1 1 359.325 2.274 20 0 FEADMM COc1cc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)ccc1[N-]S(C)(=O)=O ZINC000465251982 560861450 /nfs/dbraw/zinc/86/14/50/560861450.db2.gz OFXGMDVCJRCFHV-VXGBXAGGSA-N -1 1 353.444 2.331 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)o1 ZINC000467772411 560916992 /nfs/dbraw/zinc/91/69/92/560916992.db2.gz ZZKPYSLUILCMAF-UHFFFAOYSA-N -1 1 373.456 2.084 20 0 FEADMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000468337494 560927390 /nfs/dbraw/zinc/92/73/90/560927390.db2.gz FJIUOQULVIARFL-UHFFFAOYSA-N -1 1 373.377 2.283 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)[C@@H]1CCCOC1 ZINC000469015497 560944680 /nfs/dbraw/zinc/94/46/80/560944680.db2.gz RQOIZCKPVWHTKP-SJORKVTESA-N -1 1 369.483 2.027 20 0 FEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000469095642 560947131 /nfs/dbraw/zinc/94/71/31/560947131.db2.gz YPWWPGSNZKOXIG-UHFFFAOYSA-N -1 1 362.407 2.187 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C)cc1C ZINC000471577070 561007739 /nfs/dbraw/zinc/00/77/39/561007739.db2.gz HGLDJVDVDRNYAH-UHFFFAOYSA-N -1 1 367.379 2.490 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)c[nH]1 ZINC000471580506 561007792 /nfs/dbraw/zinc/00/77/92/561007792.db2.gz BPCVKIBTKZKTEA-UHFFFAOYSA-N -1 1 366.786 2.353 20 0 FEADMM C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000472523624 561028478 /nfs/dbraw/zinc/02/84/78/561028478.db2.gz XHFDFOAFTCLGHK-LURJTMIESA-N -1 1 363.226 2.257 20 0 FEADMM C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000472523624 561028479 /nfs/dbraw/zinc/02/84/79/561028479.db2.gz XHFDFOAFTCLGHK-LURJTMIESA-N -1 1 363.226 2.257 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cncn1CC)c1cccc(C)c1C ZINC000472741865 561034116 /nfs/dbraw/zinc/03/41/16/561034116.db2.gz XWHFRBKKGACAFF-MRXNPFEDSA-N -1 1 365.455 2.103 20 0 FEADMM CN(CCCCO)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472990233 561039635 /nfs/dbraw/zinc/03/96/35/561039635.db2.gz ZIHVTWYJPWNQAK-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000473215343 561044550 /nfs/dbraw/zinc/04/45/50/561044550.db2.gz MVYCHPTYWWMUDF-VIFPVBQESA-N -1 1 351.790 2.253 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccc(OC)cc1 ZINC000474093268 561065463 /nfs/dbraw/zinc/06/54/63/561065463.db2.gz CHWJJULALMJXGF-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1NC(N)=O ZINC000474307958 561070941 /nfs/dbraw/zinc/07/09/41/561070941.db2.gz UAWQAZOUZPRRAP-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(COC(F)(F)F)cc1 ZINC000476067323 561110819 /nfs/dbraw/zinc/11/08/19/561110819.db2.gz KPLCGXHXQGLNJB-UHFFFAOYSA-N -1 1 355.320 2.435 20 0 FEADMM Cc1c(F)ccc(Cl)c1C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000476309489 561116192 /nfs/dbraw/zinc/11/61/92/561116192.db2.gz LTOWFWLJNNVNDM-UHFFFAOYSA-N -1 1 355.826 2.184 20 0 FEADMM CCNc1ccc(Cl)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000476507479 561121216 /nfs/dbraw/zinc/12/12/16/561121216.db2.gz JTUVNUPNEJMXFB-UHFFFAOYSA-N -1 1 369.830 2.377 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc([C@@H]2CC[C@H](C)O2)no1 ZINC000528253176 562319759 /nfs/dbraw/zinc/31/97/59/562319759.db2.gz QLBGDBPWMKBXFM-HZMBPMFUSA-N -1 1 353.382 2.354 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@@H]1CCCO1)c1sc2ccccc2c1Cl ZINC000528484038 562331690 /nfs/dbraw/zinc/33/16/90/562331690.db2.gz HHRIJBVGFKVDOS-QWRGUYRKSA-N -1 1 361.872 2.373 20 0 FEADMM Cc1noc(C)c1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000528524619 562333761 /nfs/dbraw/zinc/33/37/61/562333761.db2.gz BGSHDUXZDCOFQL-GUYCJALGSA-N -1 1 363.483 2.480 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(Br)c(F)c1F)c1nn[n-]n1 ZINC000529023965 562356964 /nfs/dbraw/zinc/35/69/64/562356964.db2.gz YCHLFTCDZJFYKJ-LURJTMIESA-N -1 1 360.162 2.116 20 0 FEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000530004650 562394203 /nfs/dbraw/zinc/39/42/03/562394203.db2.gz CPFVPRQXLYWFIN-NSHDSACASA-N -1 1 372.352 2.294 20 0 FEADMM CN(C)C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000530034337 562395761 /nfs/dbraw/zinc/39/57/61/562395761.db2.gz VJOZWBNFXAMEOR-CYBMUJFWSA-N -1 1 357.241 2.465 20 0 FEADMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000530170609 562401256 /nfs/dbraw/zinc/40/12/56/562401256.db2.gz UDZFOLOUADUENB-MLGOLLRUSA-N -1 1 351.786 2.357 20 0 FEADMM CC(=O)Nc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1C ZINC000530574849 562416548 /nfs/dbraw/zinc/41/65/48/562416548.db2.gz OCRNMUSAEANTJW-UHFFFAOYSA-N -1 1 367.365 2.264 20 0 FEADMM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1cc(F)c(F)cc1F ZINC000530777259 562423741 /nfs/dbraw/zinc/42/37/41/562423741.db2.gz TVGJJLZUSOCPRO-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000531652635 562452817 /nfs/dbraw/zinc/45/28/17/562452817.db2.gz COBHBMCVOMBZBW-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM CCC(=O)Nc1cccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000531785631 562456565 /nfs/dbraw/zinc/45/65/65/562456565.db2.gz KGOIFQLCRADPDN-UHFFFAOYSA-N -1 1 360.439 2.491 20 0 FEADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-n2cnnn2)cc1 ZINC000532037575 562464828 /nfs/dbraw/zinc/46/48/28/562464828.db2.gz KLZYPDHNSAUMOX-UHFFFAOYSA-N -1 1 352.379 2.011 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)CCc1nccs1 ZINC000532796455 562489176 /nfs/dbraw/zinc/48/91/76/562489176.db2.gz BEZVIYUVSWRDPM-UHFFFAOYSA-N -1 1 369.450 2.253 20 0 FEADMM CC(C)c1ccc(CCNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000532860962 562491000 /nfs/dbraw/zinc/49/10/00/562491000.db2.gz IDYHJIZZNFKKNZ-UHFFFAOYSA-N -1 1 374.514 2.318 20 0 FEADMM Cc1cc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000532881616 562491584 /nfs/dbraw/zinc/49/15/84/562491584.db2.gz OJFIXBHOWXBNHV-CQSZACIVSA-N -1 1 374.416 2.445 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000532881694 562491638 /nfs/dbraw/zinc/49/16/38/562491638.db2.gz PVXWGRBOSDVLBJ-UHFFFAOYSA-N -1 1 374.359 2.231 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)c1 ZINC000533120702 562499268 /nfs/dbraw/zinc/49/92/68/562499268.db2.gz MNDWICYZLORRFJ-UHFFFAOYSA-N -1 1 367.423 2.470 20 0 FEADMM CC(C)c1ccc(OCCNC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000533202914 562501354 /nfs/dbraw/zinc/50/13/54/562501354.db2.gz WPKULFFVPJAFBS-INIZCTEOSA-N -1 1 362.470 2.492 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2ccc3c(c2)COC3)c(=O)[n-]1 ZINC000533216546 562501827 /nfs/dbraw/zinc/50/18/27/562501827.db2.gz XZGSDBMBNIYWMZ-UHFFFAOYSA-N -1 1 359.451 2.492 20 0 FEADMM O=C(Cc1cc(F)ccc1Br)NC1(c2nn[n-]n2)CCCC1 ZINC000533230244 562502196 /nfs/dbraw/zinc/50/21/96/562502196.db2.gz DEVBEXCXOYRPSK-UHFFFAOYSA-N -1 1 368.210 2.230 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000534739511 562541550 /nfs/dbraw/zinc/54/15/50/562541550.db2.gz YYJNXCYLVDCZDP-LJQANCHMSA-N -1 1 351.410 2.257 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000534906601 562544922 /nfs/dbraw/zinc/54/49/22/562544922.db2.gz YGEYOIOZXKSELO-QMMMGPOBSA-N -1 1 362.181 2.469 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1cnc(C2CC2)nc1 ZINC000535149023 562552134 /nfs/dbraw/zinc/55/21/34/562552134.db2.gz OAVGRIBHGZIIPC-UHFFFAOYSA-N -1 1 355.442 2.428 20 0 FEADMM COc1ccc(NC(=O)Cc2ccc(C)c(O)c2)cc1[N-]S(C)(=O)=O ZINC000536802046 562580759 /nfs/dbraw/zinc/58/07/59/562580759.db2.gz XSMKCEDKGIIYHA-UHFFFAOYSA-N -1 1 364.423 2.262 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)cn1 ZINC000536901334 562582342 /nfs/dbraw/zinc/58/23/42/562582342.db2.gz RPVAWTPFNWYHQN-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])ccc1OC(C)C ZINC000536994229 562583715 /nfs/dbraw/zinc/58/37/15/562583715.db2.gz JLWJXKNNWGEUCF-UHFFFAOYSA-N -1 1 353.400 2.015 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1CC(=O)[O-] ZINC000536992648 562583796 /nfs/dbraw/zinc/58/37/96/562583796.db2.gz QFTASXQXFNUIJR-UHFFFAOYSA-N -1 1 371.798 2.482 20 0 FEADMM O=C(c1cccc(Oc2ccncc2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537123413 562585929 /nfs/dbraw/zinc/58/59/29/562585929.db2.gz REZQVOJQMGWQQE-CQSZACIVSA-N -1 1 350.382 2.407 20 0 FEADMM Cc1cc(NC(=O)c2csc(=NC3CC3)[n-]2)nn1-c1cccc(F)c1 ZINC000540677363 562591011 /nfs/dbraw/zinc/59/10/11/562591011.db2.gz GDHFVTGDFHAJEY-UHFFFAOYSA-N -1 1 357.414 2.447 20 0 FEADMM O=C([O-])c1cccc(CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000540773918 562592751 /nfs/dbraw/zinc/59/27/51/562592751.db2.gz GTLZPQWWOJACJH-UHFFFAOYSA-N -1 1 354.341 2.168 20 0 FEADMM O=C([O-])c1cccc(CC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000540773918 562592752 /nfs/dbraw/zinc/59/27/52/562592752.db2.gz GTLZPQWWOJACJH-UHFFFAOYSA-N -1 1 354.341 2.168 20 0 FEADMM Cc1c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cnc2ccccc12 ZINC000540806941 562593528 /nfs/dbraw/zinc/59/35/28/562593528.db2.gz GLNDSZCYLHDVIK-UHFFFAOYSA-N -1 1 357.391 2.149 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccon1 ZINC000540914995 562596800 /nfs/dbraw/zinc/59/68/00/562596800.db2.gz XETRCDHVVXLLJC-LBPRGKRZSA-N -1 1 353.382 2.351 20 0 FEADMM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000541842306 562621259 /nfs/dbraw/zinc/62/12/59/562621259.db2.gz PVKBJNDYISNPPB-MRXNPFEDSA-N -1 1 355.373 2.218 20 0 FEADMM Cn1c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2nc1C(F)F ZINC000545984681 562632272 /nfs/dbraw/zinc/63/22/72/562632272.db2.gz LWPDZUFVYINGHI-JTQLQIEISA-N -1 1 361.356 2.044 20 0 FEADMM O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000550123570 562643006 /nfs/dbraw/zinc/64/30/06/562643006.db2.gz OYKNMKJHKVWLQV-NSHDSACASA-N -1 1 357.345 2.324 20 0 FEADMM O=C(NC[C@H](O)c1ccccc1C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000806629639 674384292 /nfs/dbraw/zinc/38/42/92/674384292.db2.gz OUWJHZXOAMQRLP-AWEZNQCLSA-N -1 1 353.296 2.444 20 0 FEADMM CCSc1cccc(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000807012549 674399889 /nfs/dbraw/zinc/39/98/89/674399889.db2.gz WIDCEJQOTTUYDO-UHFFFAOYSA-N -1 1 355.423 2.031 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCSCc2ccccc2)n[n-]1 ZINC000603155579 568068606 /nfs/dbraw/zinc/06/86/06/568068606.db2.gz OCNBBQRHTCXSGI-LBPRGKRZSA-N -1 1 362.455 2.482 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCSCc2ccccc2)[n-]1 ZINC000603155579 568068607 /nfs/dbraw/zinc/06/86/07/568068607.db2.gz OCNBBQRHTCXSGI-LBPRGKRZSA-N -1 1 362.455 2.482 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCSCc2ccccc2)n1 ZINC000603155579 568068608 /nfs/dbraw/zinc/06/86/08/568068608.db2.gz OCNBBQRHTCXSGI-LBPRGKRZSA-N -1 1 362.455 2.482 20 0 FEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603301362 568086700 /nfs/dbraw/zinc/08/67/00/568086700.db2.gz GOJHGUWTRJUOOH-BXUZGUMPSA-N -1 1 371.446 2.088 20 0 FEADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000669134212 568129083 /nfs/dbraw/zinc/12/90/83/568129083.db2.gz NMCDVHXKSGHTGP-LSDHHAIUSA-N -1 1 362.451 2.368 20 0 FEADMM CCOC[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000603718844 568147226 /nfs/dbraw/zinc/14/72/26/568147226.db2.gz VLGKRWWMTGWYLT-RHSMWYFYSA-N -1 1 374.437 2.074 20 0 FEADMM CON1CCC(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000643247308 568280582 /nfs/dbraw/zinc/28/05/82/568280582.db2.gz LDBFWRDDGBRICD-UHFFFAOYSA-N -1 1 361.442 2.022 20 0 FEADMM O=C(CSCc1ccc(F)cc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000604513228 568306747 /nfs/dbraw/zinc/30/67/47/568306747.db2.gz MDEZFJYVDVVBAE-INIZCTEOSA-N -1 1 357.414 2.478 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)c1 ZINC000604857510 568378715 /nfs/dbraw/zinc/37/87/15/568378715.db2.gz APNJPDVMJREESH-UHFFFAOYSA-N -1 1 369.464 2.349 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000737347920 598843721 /nfs/dbraw/zinc/84/37/21/598843721.db2.gz UQWQLFLZDHXENK-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000737347920 598843722 /nfs/dbraw/zinc/84/37/22/598843722.db2.gz UQWQLFLZDHXENK-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM CC1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736211672 598873295 /nfs/dbraw/zinc/87/32/95/598873295.db2.gz RLPYKHMYHKTMKM-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CC1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736211672 598873296 /nfs/dbraw/zinc/87/32/96/598873296.db2.gz RLPYKHMYHKTMKM-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738385641 598936791 /nfs/dbraw/zinc/93/67/91/598936791.db2.gz XJFXEXGKGVUAFJ-AWEZNQCLSA-N -1 1 351.345 2.095 20 0 FEADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738385641 598936794 /nfs/dbraw/zinc/93/67/94/598936794.db2.gz XJFXEXGKGVUAFJ-AWEZNQCLSA-N -1 1 351.345 2.095 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)ccc2o1 ZINC000737487272 598947832 /nfs/dbraw/zinc/94/78/32/598947832.db2.gz HCMHKLWQYZOXPH-UHFFFAOYSA-N -1 1 370.394 2.426 20 0 FEADMM CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OCC ZINC000736644674 598983223 /nfs/dbraw/zinc/98/32/23/598983223.db2.gz OLQQOMSPJDPWDJ-UHFFFAOYSA-N -1 1 369.381 2.416 20 0 FEADMM CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OCC ZINC000736644674 598983225 /nfs/dbraw/zinc/98/32/25/598983225.db2.gz OLQQOMSPJDPWDJ-UHFFFAOYSA-N -1 1 369.381 2.416 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000738259202 598986090 /nfs/dbraw/zinc/98/60/90/598986090.db2.gz NNEMEYHNXHHLKU-HNNXBMFYSA-N -1 1 360.381 2.115 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000738259202 598986091 /nfs/dbraw/zinc/98/60/91/598986091.db2.gz NNEMEYHNXHHLKU-HNNXBMFYSA-N -1 1 360.381 2.115 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OCc2ccccc2)CC1 ZINC000738258223 598986167 /nfs/dbraw/zinc/98/61/67/598986167.db2.gz IIULRTIYFRGLHF-UHFFFAOYSA-N -1 1 364.409 2.083 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OCc2ccccc2)CC1 ZINC000738258223 598986169 /nfs/dbraw/zinc/98/61/69/598986169.db2.gz IIULRTIYFRGLHF-UHFFFAOYSA-N -1 1 364.409 2.083 20 0 FEADMM O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738185384 598992022 /nfs/dbraw/zinc/99/20/22/598992022.db2.gz WWNTYPWNVWEKKW-UHFFFAOYSA-N -1 1 363.381 2.031 20 0 FEADMM O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738185384 598992023 /nfs/dbraw/zinc/99/20/23/598992023.db2.gz WWNTYPWNVWEKKW-UHFFFAOYSA-N -1 1 363.381 2.031 20 0 FEADMM COCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000737014797 598996278 /nfs/dbraw/zinc/99/62/78/598996278.db2.gz JKCBOSCBKCHZJR-UHFFFAOYSA-N -1 1 374.788 2.193 20 0 FEADMM COCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737014797 598996280 /nfs/dbraw/zinc/99/62/80/598996280.db2.gz JKCBOSCBKCHZJR-UHFFFAOYSA-N -1 1 374.788 2.193 20 0 FEADMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736065957 598998472 /nfs/dbraw/zinc/99/84/72/598998472.db2.gz IBGFKOZMCPVVPG-SNVBAGLBSA-N -1 1 365.422 2.232 20 0 FEADMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736065957 598998473 /nfs/dbraw/zinc/99/84/73/598998473.db2.gz IBGFKOZMCPVVPG-SNVBAGLBSA-N -1 1 365.422 2.232 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](C)C(C)(C)C ZINC000737200528 599007331 /nfs/dbraw/zinc/00/73/31/599007331.db2.gz NPWWQEVWVUGZJG-SNVBAGLBSA-N -1 1 360.462 2.315 20 0 FEADMM COc1cccc(COCc2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000737131458 599010362 /nfs/dbraw/zinc/01/03/62/599010362.db2.gz DFQXPAHPZNWIBS-UHFFFAOYSA-N -1 1 365.353 2.037 20 0 FEADMM COc1cccc(COCc2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000737131458 599010365 /nfs/dbraw/zinc/01/03/65/599010365.db2.gz DFQXPAHPZNWIBS-UHFFFAOYSA-N -1 1 365.353 2.037 20 0 FEADMM CC[C@H]1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736401405 599013621 /nfs/dbraw/zinc/01/36/21/599013621.db2.gz WIXYCXDRLHTNCC-UWVGGRQHSA-N -1 1 362.459 2.388 20 0 FEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000736699543 599078340 /nfs/dbraw/zinc/07/83/40/599078340.db2.gz LNBZJSHRLHGSCE-JTQLQIEISA-N -1 1 357.443 2.422 20 0 FEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000736699543 599078343 /nfs/dbraw/zinc/07/83/43/599078343.db2.gz LNBZJSHRLHGSCE-JTQLQIEISA-N -1 1 357.443 2.422 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000737201514 599082788 /nfs/dbraw/zinc/08/27/88/599082788.db2.gz UAJDSFJAKPZEJR-GWCFXTLKSA-N -1 1 358.446 2.164 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000737295927 599098062 /nfs/dbraw/zinc/09/80/62/599098062.db2.gz BIACKDNQAQBQEG-UHFFFAOYSA-N -1 1 369.328 2.393 20 0 FEADMM Cc1ccc(Cn2ccccc2=NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737343896 599107047 /nfs/dbraw/zinc/10/70/47/599107047.db2.gz XMJQLSHXMJOSPT-UHFFFAOYSA-N -1 1 371.404 2.161 20 0 FEADMM Cc1ccc(Cn2ccccc2=NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737343896 599107051 /nfs/dbraw/zinc/10/70/51/599107051.db2.gz XMJQLSHXMJOSPT-UHFFFAOYSA-N -1 1 371.404 2.161 20 0 FEADMM OCC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccs1 ZINC000738393450 599119080 /nfs/dbraw/zinc/11/90/80/599119080.db2.gz LWIYOKRNJVAANA-ZDUSSCGKSA-N -1 1 352.423 2.434 20 0 FEADMM OCC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccs1 ZINC000738393450 599119082 /nfs/dbraw/zinc/11/90/82/599119082.db2.gz LWIYOKRNJVAANA-ZDUSSCGKSA-N -1 1 352.423 2.434 20 0 FEADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1N1CCOC1=O ZINC000821835605 599157635 /nfs/dbraw/zinc/15/76/35/599157635.db2.gz OAAAXWCXWFFIHM-UHFFFAOYSA-N -1 1 356.342 2.037 20 0 FEADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1N1CCOC1=O ZINC000821835605 599157637 /nfs/dbraw/zinc/15/76/37/599157637.db2.gz OAAAXWCXWFFIHM-UHFFFAOYSA-N -1 1 356.342 2.037 20 0 FEADMM O=[S@@](CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000738357838 599205008 /nfs/dbraw/zinc/20/50/08/599205008.db2.gz SOXDGJGOWDSDMW-DEOSSOPVSA-N -1 1 362.846 2.276 20 0 FEADMM O=[S@@](CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000738357838 599205011 /nfs/dbraw/zinc/20/50/11/599205011.db2.gz SOXDGJGOWDSDMW-DEOSSOPVSA-N -1 1 362.846 2.276 20 0 FEADMM O=[S@@](CCNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000738357281 599205226 /nfs/dbraw/zinc/20/52/26/599205226.db2.gz OFSLRXDHEKTHDW-QHCPKHFHSA-N -1 1 368.875 2.337 20 0 FEADMM O=[S@@](CCNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000738357281 599205227 /nfs/dbraw/zinc/20/52/27/599205227.db2.gz OFSLRXDHEKTHDW-QHCPKHFHSA-N -1 1 368.875 2.337 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000818521998 597087382 /nfs/dbraw/zinc/08/73/82/597087382.db2.gz GLCHSQWOADAQLH-ZIAGYGMSSA-N -1 1 362.426 2.295 20 0 FEADMM COc1ccc(-c2noc(CN3CCC[C@H](CC(=O)[O-])C3)n2)c(OC)c1 ZINC000818570690 597104610 /nfs/dbraw/zinc/10/46/10/597104610.db2.gz JLAPQHCILYRMAF-GFCCVEGCSA-N -1 1 361.398 2.441 20 0 FEADMM O=C([O-])CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000819484362 597220041 /nfs/dbraw/zinc/22/00/41/597220041.db2.gz IFPADQDMBRVORW-UHFFFAOYSA-N -1 1 353.850 2.326 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000820677842 597420516 /nfs/dbraw/zinc/42/05/16/597420516.db2.gz UQYIOLZJLDJZRK-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM CCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1C ZINC000821442777 607313136 /nfs/dbraw/zinc/31/31/36/607313136.db2.gz VTKGDQAAFWCMCN-UHFFFAOYSA-N -1 1 362.415 2.142 20 0 FEADMM CCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1C ZINC000821442777 607313137 /nfs/dbraw/zinc/31/31/37/607313137.db2.gz VTKGDQAAFWCMCN-UHFFFAOYSA-N -1 1 362.415 2.142 20 0 FEADMM CNC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000736878388 599267228 /nfs/dbraw/zinc/26/72/28/599267228.db2.gz SDNVSOOSEKGOTN-UHFFFAOYSA-N -1 1 359.393 2.387 20 0 FEADMM CNC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000736878388 599267230 /nfs/dbraw/zinc/26/72/30/599267230.db2.gz SDNVSOOSEKGOTN-UHFFFAOYSA-N -1 1 359.393 2.387 20 0 FEADMM CCc1nn(Cc2ccn(C(CC)CC)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517554 607326266 /nfs/dbraw/zinc/32/62/66/607326266.db2.gz KKNUCESMCLIWCQ-UHFFFAOYSA-N -1 1 370.461 2.154 20 0 FEADMM CO[C@H](C)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736958946 598333015 /nfs/dbraw/zinc/33/30/15/598333015.db2.gz YWCCPFROANHVHI-SECBINFHSA-N -1 1 362.459 2.016 20 0 FEADMM c1cnc(-c2nn[n-]n2)c(Sc2nnc(NC3CCCCC3)s2)n1 ZINC000738445766 598342222 /nfs/dbraw/zinc/34/22/22/598342222.db2.gz MOCPDBFEKAPJCK-UHFFFAOYSA-N -1 1 361.460 2.404 20 0 FEADMM CCc1nn(CCCOc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705589 598377791 /nfs/dbraw/zinc/37/77/91/598377791.db2.gz LACPYMCFVKBZGW-UHFFFAOYSA-N -1 1 354.414 2.017 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736179784 598404520 /nfs/dbraw/zinc/40/45/20/598404520.db2.gz FRXZLQDFMGKGGD-ZCFIWIBFSA-N -1 1 368.184 2.060 20 0 FEADMM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c(C)c1 ZINC000737103302 598425088 /nfs/dbraw/zinc/42/50/88/598425088.db2.gz GIFBDVZAUVAJED-UHFFFAOYSA-N -1 1 372.410 2.259 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(-c4ccncc4)n[nH]3)cn21 ZINC000557075749 674435087 /nfs/dbraw/zinc/43/50/87/674435087.db2.gz XJHZGBVGNKNOMW-NSHDSACASA-N -1 1 358.427 2.366 20 0 FEADMM CC(C)CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735798689 598525321 /nfs/dbraw/zinc/52/53/21/598525321.db2.gz YCGOCDXISFZHQM-GXTWGEPZSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735798689 598525322 /nfs/dbraw/zinc/52/53/22/598525322.db2.gz YCGOCDXISFZHQM-GXTWGEPZSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)(C)C(=O)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735587293 598574509 /nfs/dbraw/zinc/57/45/09/598574509.db2.gz SNQLNHMLCLMFFK-UHFFFAOYSA-N -1 1 363.853 2.364 20 0 FEADMM CC(C)(C)C(=O)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735587293 598574511 /nfs/dbraw/zinc/57/45/11/598574511.db2.gz SNQLNHMLCLMFFK-UHFFFAOYSA-N -1 1 363.853 2.364 20 0 FEADMM Cc1csc([C@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCO2)n1 ZINC000737455817 598579409 /nfs/dbraw/zinc/57/94/09/598579409.db2.gz XTKKXIDLMBOTRL-SNVBAGLBSA-N -1 1 363.834 2.258 20 0 FEADMM Cc1csc([C@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCO2)n1 ZINC000737455817 598579410 /nfs/dbraw/zinc/57/94/10/598579410.db2.gz XTKKXIDLMBOTRL-SNVBAGLBSA-N -1 1 363.834 2.258 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000737200905 598598014 /nfs/dbraw/zinc/59/80/14/598598014.db2.gz OCPKNYREGCXGLB-OAHLLOKOSA-N -1 1 370.457 2.308 20 0 FEADMM CCc1nn(CCO[C@@H]2CCCC[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706167 598640098 /nfs/dbraw/zinc/64/00/98/598640098.db2.gz HUTNEFFIMFFKIR-SWLSCSKDSA-N -1 1 360.462 2.144 20 0 FEADMM CCc1nn(CCc2ccccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705899 598641984 /nfs/dbraw/zinc/64/19/84/598641984.db2.gz CHUQRKUVNXCPEW-UHFFFAOYSA-N -1 1 358.833 2.444 20 0 FEADMM CC[C@@H](C)c1ccc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000736330058 598677136 /nfs/dbraw/zinc/67/71/36/598677136.db2.gz WHBGPMQCFGJYJG-GFCCVEGCSA-N -1 1 352.398 2.181 20 0 FEADMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736270990 598687752 /nfs/dbraw/zinc/68/77/52/598687752.db2.gz LHSSNOGWBRAXLF-HZMBPMFUSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735827900 598691615 /nfs/dbraw/zinc/69/16/15/598691615.db2.gz UHPJZHOMIRXBTK-UHFFFAOYSA-N -1 1 355.439 2.309 20 0 FEADMM CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000557163467 674440555 /nfs/dbraw/zinc/44/05/55/674440555.db2.gz UWVIIVTUUQEUNC-UHFFFAOYSA-N -1 1 368.480 2.422 20 0 FEADMM O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1c([O-])cc(F)cc1F ZINC000738232682 598711376 /nfs/dbraw/zinc/71/13/76/598711376.db2.gz VWJSFUQZOMVHHH-UHFFFAOYSA-N -1 1 350.256 2.347 20 0 FEADMM O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000808119718 674442330 /nfs/dbraw/zinc/44/23/30/674442330.db2.gz GSQQXUPWLYKBKA-UHFFFAOYSA-N -1 1 359.325 2.123 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808125446 674442867 /nfs/dbraw/zinc/44/28/67/674442867.db2.gz ZQLVZUDSSITHNF-UHFFFAOYSA-N -1 1 353.377 2.226 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)ccc1C ZINC000808127947 674443246 /nfs/dbraw/zinc/44/32/46/674443246.db2.gz YAMHFLKDCUEDTP-UHFFFAOYSA-N -1 1 360.391 2.425 20 0 FEADMM C[C@@H]1[C@H](C)SCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736300899 599324036 /nfs/dbraw/zinc/32/40/36/599324036.db2.gz HIYZWEJRZHJEOK-BDAKNGLRSA-N -1 1 373.891 2.035 20 0 FEADMM C[C@@H]1[C@H](C)SCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736300899 599324040 /nfs/dbraw/zinc/32/40/40/599324040.db2.gz HIYZWEJRZHJEOK-BDAKNGLRSA-N -1 1 373.891 2.035 20 0 FEADMM CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821618971 599337590 /nfs/dbraw/zinc/33/75/90/599337590.db2.gz DCYQCILBQZSNQQ-UHFFFAOYSA-N -1 1 367.793 2.484 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC3(C2)CCCCC3)cc1-c1nn[n-]n1 ZINC000821969939 599472452 /nfs/dbraw/zinc/47/24/52/599472452.db2.gz HBMZISFZZHUDMZ-UHFFFAOYSA-N -1 1 374.470 2.486 20 0 FEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCCCC1 ZINC000738353698 599594512 /nfs/dbraw/zinc/59/45/12/599594512.db2.gz FMEADGFQEAXANQ-UHFFFAOYSA-N -1 1 361.349 2.060 20 0 FEADMM CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820967045 599655698 /nfs/dbraw/zinc/65/56/98/599655698.db2.gz KYLFYLPLZLOBEX-ZWNOBZJWSA-N -1 1 358.446 2.164 20 0 FEADMM Cc1cccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC000822327627 599690039 /nfs/dbraw/zinc/69/00/39/599690039.db2.gz INVWKGRHOZTLKL-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM Cc1cccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC000822327627 599690040 /nfs/dbraw/zinc/69/00/40/599690040.db2.gz INVWKGRHOZTLKL-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)c1 ZINC000738143550 599821199 /nfs/dbraw/zinc/82/11/99/599821199.db2.gz QCCHNUYXARVLJF-UHFFFAOYSA-N -1 1 370.409 2.451 20 0 FEADMM C[C@@]1(C2CCCCC2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736738982 599839044 /nfs/dbraw/zinc/83/90/44/599839044.db2.gz YLKFGGRGWFDNRL-KDOFPFPSSA-N -1 1 351.447 2.164 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000736652872 599884182 /nfs/dbraw/zinc/88/41/82/599884182.db2.gz OOEKSNKDUHCYKZ-MEDUHNTESA-N -1 1 367.361 2.050 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)no2)sc1C ZINC000632479603 676996726 /nfs/dbraw/zinc/99/67/26/676996726.db2.gz FKLYYSCRCRMTFZ-RXMQYKEDSA-N -1 1 356.351 2.201 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000738274849 599933360 /nfs/dbraw/zinc/93/33/60/599933360.db2.gz JCZJPQNKWFWCMD-STQMWFEESA-N -1 1 354.472 2.234 20 0 FEADMM Cc1cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)ccc1C(=O)[O-] ZINC000738440299 600015677 /nfs/dbraw/zinc/01/56/77/600015677.db2.gz HPDDPMMQZIRHJA-QGZVFWFLSA-N -1 1 362.474 2.087 20 0 FEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000649464508 600063928 /nfs/dbraw/zinc/06/39/28/600063928.db2.gz DKJKONWHXCPSFS-HUUCEWRRSA-N -1 1 370.371 2.460 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736806174 600065738 /nfs/dbraw/zinc/06/57/38/600065738.db2.gz CENBIKDQDBIFBS-MDZRGWNJSA-N -1 1 374.481 2.418 20 0 FEADMM COc1ccc([C@H](CNC(=O)C(C)(C)NC(=O)[O-])N2CCCCC2)cc1 ZINC000737957599 600151571 /nfs/dbraw/zinc/15/15/71/600151571.db2.gz PLMDXUQHFYUATF-INIZCTEOSA-N -1 1 363.458 2.385 20 0 FEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000738227943 600188742 /nfs/dbraw/zinc/18/87/42/600188742.db2.gz JNTMDVHNEIQIRQ-UHFFFAOYSA-N -1 1 356.338 2.142 20 0 FEADMM O=C([O-])COc1cccc(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000738618861 600203958 /nfs/dbraw/zinc/20/39/58/600203958.db2.gz DUHZNCNZVRBDHP-UHFFFAOYSA-N -1 1 358.375 2.499 20 0 FEADMM Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@@H](C(=O)[O-])C1 ZINC000738828506 600280357 /nfs/dbraw/zinc/28/03/57/600280357.db2.gz YNHBWZIZEABOMC-GFCCVEGCSA-N -1 1 365.231 2.380 20 0 FEADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000737114425 600346969 /nfs/dbraw/zinc/34/69/69/600346969.db2.gz DQEOQKOEAZBBMI-GFCCVEGCSA-N -1 1 360.863 2.191 20 0 FEADMM CC(=O)c1[nH]c(CC(=O)Nc2cccc(-c3nnc[nH]3)c2)c(C(=O)[O-])c1C ZINC000736178580 600381924 /nfs/dbraw/zinc/38/19/24/600381924.db2.gz HWAJAVYHFQBYCM-UHFFFAOYSA-N -1 1 367.365 2.190 20 0 FEADMM Cc1c(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cccc1C(=O)[O-] ZINC000738298393 600491251 /nfs/dbraw/zinc/49/12/51/600491251.db2.gz CCKMEJIKBRXSEX-UHFFFAOYSA-N -1 1 366.377 2.328 20 0 FEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000321342205 600513830 /nfs/dbraw/zinc/51/38/30/600513830.db2.gz ABRRZASISAYRDQ-UHFFFAOYSA-N -1 1 357.731 2.142 20 0 FEADMM O=C([O-])CCN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H]1CCCO1 ZINC000739718834 600514991 /nfs/dbraw/zinc/51/49/91/600514991.db2.gz OAESJXIELRZNCU-GVDBMIGSSA-N -1 1 352.475 2.123 20 0 FEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000740249245 600515194 /nfs/dbraw/zinc/51/51/94/600515194.db2.gz SSOHROMFRLRQMP-UHFFFAOYSA-N -1 1 369.358 2.300 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000390407296 600518045 /nfs/dbraw/zinc/51/80/45/600518045.db2.gz BYRLWSWYKUAXAN-KRWDZBQOSA-N -1 1 374.462 2.328 20 0 FEADMM CC[C@](C)(NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000736861737 600558896 /nfs/dbraw/zinc/55/88/96/600558896.db2.gz UQNMGWIFLZGIDY-KXBFYZLASA-N -1 1 364.442 2.210 20 0 FEADMM C[C@@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000736213973 600589137 /nfs/dbraw/zinc/58/91/37/600589137.db2.gz GSNDSGLZGKHOMB-HNNXBMFYSA-N -1 1 356.422 2.287 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cs1 ZINC000614878595 600676869 /nfs/dbraw/zinc/67/68/69/600676869.db2.gz DOAMTCWCAKJHCG-UHFFFAOYSA-N -1 1 368.436 2.084 20 0 FEADMM O=C([O-])[C@@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1F ZINC000833164526 600735923 /nfs/dbraw/zinc/73/59/23/600735923.db2.gz AJJVVMNYSVTMMM-SFHVURJKSA-N -1 1 372.396 2.214 20 0 FEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1(C)C ZINC000737157899 600741783 /nfs/dbraw/zinc/74/17/83/600741783.db2.gz OTGHIVYFSMVOGA-OKZBNKHCSA-N -1 1 374.481 2.160 20 0 FEADMM C[C@@](O)(CN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736669496 600761427 /nfs/dbraw/zinc/76/14/27/600761427.db2.gz CBLIVHYHSCKOQK-IUODEOHRSA-N -1 1 361.225 2.232 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@H](N2CCCC3(CCOCC3)C2)C1=O ZINC000833337081 600799877 /nfs/dbraw/zinc/79/98/77/600799877.db2.gz ZBPJZKGDSDLNHB-AWEZNQCLSA-N -1 1 364.467 2.444 20 0 FEADMM COc1ccc(C2CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC000832274157 600800030 /nfs/dbraw/zinc/80/00/30/600800030.db2.gz VZSRCVDVDMZZOO-SFHVURJKSA-N -1 1 362.470 2.490 20 0 FEADMM C[C@@H](O)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000827802955 600824932 /nfs/dbraw/zinc/82/49/32/600824932.db2.gz IHPJRMATXDDPBO-CYBMUJFWSA-N -1 1 361.467 2.007 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1)C(=O)[O-] ZINC000826786109 600852224 /nfs/dbraw/zinc/85/22/24/600852224.db2.gz KQPKGVHKTYHRFT-FGTMMUONSA-N -1 1 362.470 2.190 20 0 FEADMM COc1ccc(-c2nc(CN(CCC(=O)[O-])C3CCOCC3)no2)cc1 ZINC000832129638 600860193 /nfs/dbraw/zinc/86/01/93/600860193.db2.gz HJEXXOUGGMQCFD-UHFFFAOYSA-N -1 1 361.398 2.201 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738168760 600912898 /nfs/dbraw/zinc/91/28/98/600912898.db2.gz XCSZMPHMCOCHSY-LBPRGKRZSA-N -1 1 374.418 2.277 20 0 FEADMM O=C([O-])CCN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CCOCC1 ZINC000583303167 600977962 /nfs/dbraw/zinc/97/79/62/600977962.db2.gz WDIDKBPDXZUTSO-UHFFFAOYSA-N -1 1 369.421 2.343 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CNC1(c2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000828716081 601003000 /nfs/dbraw/zinc/00/30/00/601003000.db2.gz FKQLUORHHBVZEG-SUMWQHHRSA-N -1 1 366.433 2.037 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737370443 601020910 /nfs/dbraw/zinc/02/09/10/601020910.db2.gz KTVBEPDHZYLFNF-UHFFFAOYSA-N -1 1 369.421 2.117 20 0 FEADMM COc1ccccc1C[C@H](C)N(C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000832608267 601026421 /nfs/dbraw/zinc/02/64/21/601026421.db2.gz QLMKGFFNNCWMQT-HNNXBMFYSA-N -1 1 362.470 2.462 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630222164 601084279 /nfs/dbraw/zinc/08/42/79/601084279.db2.gz DYFGKSGNZJJPKT-LLVKDONJSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 ZINC000630226255 601089120 /nfs/dbraw/zinc/08/91/20/601089120.db2.gz ZMRAISCGIHWPSZ-INIZCTEOSA-N -1 1 355.438 2.157 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000630222561 601098139 /nfs/dbraw/zinc/09/81/39/601098139.db2.gz FXTSDWFDZSCICG-OLZOCXBDSA-N -1 1 350.484 2.494 20 0 FEADMM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630222014 601100806 /nfs/dbraw/zinc/10/08/06/601100806.db2.gz CIELJBARDPPABH-SNVBAGLBSA-N -1 1 359.348 2.030 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 ZINC000827369374 601129209 /nfs/dbraw/zinc/12/92/09/601129209.db2.gz WQXCNPNGUWGNIS-GFCCVEGCSA-N -1 1 368.865 2.419 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 ZINC000827368374 601132536 /nfs/dbraw/zinc/13/25/36/601132536.db2.gz COWOORKFZBEFGY-GFCCVEGCSA-N -1 1 368.865 2.419 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000827368343 601132569 /nfs/dbraw/zinc/13/25/69/601132569.db2.gz BTPIVNGFCDPGHR-ZDUSSCGKSA-N -1 1 357.414 2.089 20 0 FEADMM CN(CCS(=O)(=O)c1cccc(Br)c1)C(C)(C)C(=O)[O-] ZINC000570403473 601151232 /nfs/dbraw/zinc/15/12/32/601151232.db2.gz PPBDGOKUGHNZAA-UHFFFAOYSA-N -1 1 364.261 2.018 20 0 FEADMM C[C@@](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000827729000 601172961 /nfs/dbraw/zinc/17/29/61/601172961.db2.gz WPBXPLFRNUSULH-HNNXBMFYSA-N -1 1 360.332 2.044 20 0 FEADMM CCCCCn1nc(C)cc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829373285 601194249 /nfs/dbraw/zinc/19/42/49/601194249.db2.gz PGWPDOMQIBUWQZ-OAHLLOKOSA-N -1 1 365.478 2.394 20 0 FEADMM CN(CCNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000830785231 601196187 /nfs/dbraw/zinc/19/61/87/601196187.db2.gz NWPWTYXMIFUMPE-INIZCTEOSA-N -1 1 363.433 2.154 20 0 FEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CSc1n[nH]c(=S)s1 ZINC000832902230 601197235 /nfs/dbraw/zinc/19/72/35/601197235.db2.gz IIDMUDLNHLUTNN-UHFFFAOYSA-N -1 1 371.465 2.329 20 0 FEADMM Cc1nc([C@@H]2CN(c3nc(C)nc4sc(C(=O)[O-])c(C)c43)CCO2)n[nH]1 ZINC000567978794 601213704 /nfs/dbraw/zinc/21/37/04/601213704.db2.gz RWWSVILUNZTRDQ-JTQLQIEISA-N -1 1 374.426 2.011 20 0 FEADMM O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000327421918 601240754 /nfs/dbraw/zinc/24/07/54/601240754.db2.gz GPHIQQJOIASRLY-HWYHOQROSA-N -1 1 364.467 2.033 20 0 FEADMM Cc1cc(CC(C)(C)NC(=O)CCc2nn[n-]n2)ccc1Br ZINC000633187818 677036263 /nfs/dbraw/zinc/03/62/63/677036263.db2.gz UUSNEMVAXQUUNU-UHFFFAOYSA-N -1 1 366.263 2.341 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1N(C)C ZINC000324908796 601359778 /nfs/dbraw/zinc/35/97/78/601359778.db2.gz RHAWVOPPBNBKBH-UHFFFAOYSA-N -1 1 350.396 2.260 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)NC2(CC(=O)[O-])CCC2)CC1 ZINC000649537238 601403485 /nfs/dbraw/zinc/40/34/85/601403485.db2.gz YEWILHRKCRNZLL-UHFFFAOYSA-N -1 1 360.458 2.347 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)NCC2(C(=O)[O-])CCCC2)CC1 ZINC000830960314 601406702 /nfs/dbraw/zinc/40/67/02/601406702.db2.gz JERGSHRWHBUQOO-UHFFFAOYSA-N -1 1 360.458 2.205 20 0 FEADMM C/C(=C\COC(=O)c1cc2ccccc2cc1NS(C)(=O)=O)C(=O)[O-] ZINC000825774738 601409507 /nfs/dbraw/zinc/40/95/07/601409507.db2.gz HCOWPEPNEQVSPX-YRNVUSSQSA-N -1 1 363.391 2.399 20 0 FEADMM Cc1cc(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832861111 601564683 /nfs/dbraw/zinc/56/46/83/601564683.db2.gz VWRORQOMPBORSX-WBVHZDCISA-N -1 1 360.454 2.466 20 0 FEADMM Cc1sc(C(=O)[O-])cc1CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000833030713 601640538 /nfs/dbraw/zinc/64/05/38/601640538.db2.gz BIYVVFYQJIEHEX-UHFFFAOYSA-N -1 1 359.451 2.176 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000833194305 601787777 /nfs/dbraw/zinc/78/77/77/601787777.db2.gz FAGKQMXYXWSNKE-FGTMMUONSA-N -1 1 374.506 2.385 20 0 FEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826496177 607528620 /nfs/dbraw/zinc/52/86/20/607528620.db2.gz NPMNNQLFCNIXOP-NRFANRHFSA-N -1 1 364.228 2.332 20 0 FEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000826496177 607528622 /nfs/dbraw/zinc/52/86/22/607528622.db2.gz NPMNNQLFCNIXOP-NRFANRHFSA-N -1 1 364.228 2.332 20 0 FEADMM NC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000116129235 601831891 /nfs/dbraw/zinc/83/18/91/601831891.db2.gz VSURHTRMPBQVLG-UHFFFAOYSA-N -1 1 372.761 2.077 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000662218131 601844705 /nfs/dbraw/zinc/84/47/05/601844705.db2.gz MOLMJTAWLBDZIY-ZDUSSCGKSA-N -1 1 350.381 2.364 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000826008246 601924935 /nfs/dbraw/zinc/92/49/35/601924935.db2.gz HFJXSOJFRQDJME-WCQYABFASA-N -1 1 356.875 2.237 20 0 FEADMM CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739703749 601957058 /nfs/dbraw/zinc/95/70/58/601957058.db2.gz DWLTWXGEICAJFZ-NSHDSACASA-N -1 1 357.813 2.027 20 0 FEADMM CN(CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1cc(Cl)cn1C ZINC000830773160 601963780 /nfs/dbraw/zinc/96/37/80/601963780.db2.gz UXAZTWQECCWUQU-AUWJEWJLSA-N -1 1 357.863 2.002 20 0 FEADMM CN(CCC1CCOCC1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830755806 601966363 /nfs/dbraw/zinc/96/63/63/601966363.db2.gz DOTMEUUYJKODRI-AWEZNQCLSA-N -1 1 352.456 2.300 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000832917942 602015499 /nfs/dbraw/zinc/01/54/99/602015499.db2.gz RNDOMXJSYREBAX-AAEUAGOBSA-N -1 1 371.393 2.407 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)NC(=O)[O-])N2CCCC2)o1 ZINC000740118566 602021263 /nfs/dbraw/zinc/02/12/63/602021263.db2.gz RBBJMJUMSJKNRJ-GXTWGEPZSA-N -1 1 352.435 2.070 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000630226933 602024059 /nfs/dbraw/zinc/02/40/59/602024059.db2.gz XSIIQYXAPYTIDQ-NSHDSACASA-N -1 1 360.332 2.206 20 0 FEADMM O=C([O-])NC[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740640409 602058368 /nfs/dbraw/zinc/05/83/68/602058368.db2.gz KWBKORDGPPOWIR-CABCVRRESA-N -1 1 364.446 2.106 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1cccc(F)c1 ZINC000739608167 602061528 /nfs/dbraw/zinc/06/15/28/602061528.db2.gz MISQODJLRBSWLC-CZUORRHYSA-N -1 1 366.437 2.118 20 0 FEADMM Cc1ccc2nc(SCc3ccnc(-c4nnn[n-]4)c3)n(C)c(=O)c2c1 ZINC000826295340 607544353 /nfs/dbraw/zinc/54/43/53/607544353.db2.gz CQSOIMVLARKGIR-UHFFFAOYSA-N -1 1 365.422 2.109 20 0 FEADMM Cc1ccc2nc(SCc3ccnc(-c4nn[n-]n4)c3)n(C)c(=O)c2c1 ZINC000826295340 607544355 /nfs/dbraw/zinc/54/43/55/607544355.db2.gz CQSOIMVLARKGIR-UHFFFAOYSA-N -1 1 365.422 2.109 20 0 FEADMM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000831851623 602119819 /nfs/dbraw/zinc/11/98/19/602119819.db2.gz BACKBBMZAZTGGH-UHFFFAOYSA-N -1 1 359.306 2.178 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1 ZINC000165633248 602156659 /nfs/dbraw/zinc/15/66/59/602156659.db2.gz OWJPAGCMGGIVIG-UHFFFAOYSA-N -1 1 371.212 2.272 20 0 FEADMM O=C([O-])N1CCc2cc(NS(=O)(=O)c3c[nH]c4ncccc34)ccc21 ZINC000740528651 602244522 /nfs/dbraw/zinc/24/45/22/602244522.db2.gz BKNKREOEXXTUDG-UHFFFAOYSA-N -1 1 358.379 2.404 20 0 FEADMM O=C([O-])N1CCC[C@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)C1 ZINC000740475809 602263602 /nfs/dbraw/zinc/26/36/02/602263602.db2.gz CGCUOBKRIHRUFS-LBPRGKRZSA-N -1 1 366.381 2.348 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000739006942 602274469 /nfs/dbraw/zinc/27/44/69/602274469.db2.gz GMPSUGOJZOGHCP-XJKSGUPXSA-N -1 1 351.422 2.295 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(CN(C)C(=O)[O-])CC3)cnc2n1 ZINC000740155687 602407711 /nfs/dbraw/zinc/40/77/11/602407711.db2.gz UDJMMLQNKOWODA-UHFFFAOYSA-N -1 1 358.398 2.106 20 0 FEADMM COc1ccc(NC(=O)[C@H]2CCCN2C[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739921741 602451784 /nfs/dbraw/zinc/45/17/84/602451784.db2.gz SKILVZZORNPGDH-WMLDXEAASA-N -1 1 361.442 2.488 20 0 FEADMM CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000558498346 674500257 /nfs/dbraw/zinc/50/02/57/674500257.db2.gz ZAMYEZMAMBXSCX-UHFFFAOYSA-N -1 1 353.271 2.434 20 0 FEADMM O=C([O-])N1CCc2ccc(NS(=O)(=O)c3c[nH]c4ncccc34)cc2C1 ZINC000740529383 602491076 /nfs/dbraw/zinc/49/10/76/602491076.db2.gz GYGLIXUVGUONPD-UHFFFAOYSA-N -1 1 372.406 2.400 20 0 FEADMM CCCN(CC(=O)NCc1ccc(CC)s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739351889 602542799 /nfs/dbraw/zinc/54/27/99/602542799.db2.gz AXZCDSAJROLXFV-CYBMUJFWSA-N -1 1 353.488 2.391 20 0 FEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000740692300 602566736 /nfs/dbraw/zinc/56/67/36/602566736.db2.gz XMZFHRIFCOOTHJ-LJQANCHMSA-N -1 1 367.449 2.040 20 0 FEADMM O=S(=O)(NCc1cccc(Cl)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492001 607574216 /nfs/dbraw/zinc/57/42/16/607574216.db2.gz NLZAKEIRJJMLJD-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824938140 607575279 /nfs/dbraw/zinc/57/52/79/607575279.db2.gz TWRLMVRHQYYHST-MWLCHTKSSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824938140 607575281 /nfs/dbraw/zinc/57/52/81/607575281.db2.gz TWRLMVRHQYYHST-MWLCHTKSSA-N -1 1 355.851 2.377 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])N2CCCC2)o1 ZINC000740116257 602600158 /nfs/dbraw/zinc/60/01/58/602600158.db2.gz BJMXTBWYIYFXDQ-LSDHHAIUSA-N -1 1 364.446 2.167 20 0 FEADMM O=S(=O)(NCc1ccc(F)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492112 607575974 /nfs/dbraw/zinc/57/59/74/607575974.db2.gz TXUYMMCBIYVRMW-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM O=S(=O)(NCc1ccc(F)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492112 607575976 /nfs/dbraw/zinc/57/59/76/607575976.db2.gz TXUYMMCBIYVRMW-UHFFFAOYSA-N -1 1 367.793 2.138 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738913825 602618383 /nfs/dbraw/zinc/61/83/83/602618383.db2.gz BALRUMUPEKXSOT-CVEARBPZSA-N -1 1 374.485 2.075 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826304807 607578902 /nfs/dbraw/zinc/57/89/02/607578902.db2.gz ZAFCCJUAOZIENK-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824427397 607577745 /nfs/dbraw/zinc/57/77/45/607577745.db2.gz MQDHQADRKLPKAZ-NSHDSACASA-N -1 1 361.402 2.088 20 0 FEADMM CCc1cc(CNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)n[nH]1 ZINC000739535305 602717383 /nfs/dbraw/zinc/71/73/83/602717383.db2.gz AKRCBYYEEHUJHP-UHFFFAOYSA-N -1 1 356.426 2.300 20 0 FEADMM O=C([O-])NCCC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000738656875 602722904 /nfs/dbraw/zinc/72/29/04/602722904.db2.gz JAKKFOQHEHTFKG-HNNXBMFYSA-N -1 1 353.850 2.468 20 0 FEADMM CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825194700 607587035 /nfs/dbraw/zinc/58/70/35/607587035.db2.gz RYULJPXRINELHH-PWSUYJOCSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825194700 607587036 /nfs/dbraw/zinc/58/70/36/607587036.db2.gz RYULJPXRINELHH-PWSUYJOCSA-N -1 1 353.423 2.253 20 0 FEADMM CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825195896 607587041 /nfs/dbraw/zinc/58/70/41/607587041.db2.gz ZNBDADFZVMKGGT-GWCFXTLKSA-N -1 1 353.423 2.253 20 0 FEADMM CC(C)[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)NC(=O)[O-] ZINC000738785803 602830183 /nfs/dbraw/zinc/83/01/83/602830183.db2.gz JMJZCKJVWJPUAV-HUUCEWRRSA-N -1 1 354.426 2.020 20 0 FEADMM COC(=O)c1ccc2c(cnn2CN2CCC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000739790576 602860102 /nfs/dbraw/zinc/86/01/02/602860102.db2.gz BJAIWBVNWNEQSH-CYBMUJFWSA-N -1 1 360.414 2.102 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc(Br)c2O)C[C@@H](C)N1C(=O)[O-] ZINC000739164363 602907261 /nfs/dbraw/zinc/90/72/61/602907261.db2.gz CDDWENCYEQLTRM-RKDXNWHRSA-N -1 1 357.204 2.368 20 0 FEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826282889 607596424 /nfs/dbraw/zinc/59/64/24/607596424.db2.gz FESRDCZHHUYOHB-VIFPVBQESA-N -1 1 367.431 2.415 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000558747665 674514352 /nfs/dbraw/zinc/51/43/52/674514352.db2.gz SBBFFVJXPLASKX-SFHVURJKSA-N -1 1 359.813 2.336 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1cccs1 ZINC000828200709 603011253 /nfs/dbraw/zinc/01/12/53/603011253.db2.gz YOLWXLBFOMLDOC-CHWSQXEVSA-N -1 1 354.476 2.135 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2ccc3ncccc3c2)c1-c1nn[n-]n1 ZINC000826304558 607601213 /nfs/dbraw/zinc/60/12/13/607601213.db2.gz PNRPXUPFJPYOGP-UHFFFAOYSA-N -1 1 367.390 2.491 20 0 FEADMM O=S(=O)(Oc1ccc2ncccc2c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493670 607601926 /nfs/dbraw/zinc/60/19/26/607601926.db2.gz WURJPDIOIHQAAO-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM C[C@H](CNC(=O)c1cc2ccccc2cc1NC(=O)[O-])N1CCN(C)CC1 ZINC000738940618 603055187 /nfs/dbraw/zinc/05/51/87/603055187.db2.gz SYNALPITSUHKCW-CQSZACIVSA-N -1 1 370.453 2.295 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)n1 ZINC000740681324 603060713 /nfs/dbraw/zinc/06/07/13/603060713.db2.gz FNDJHRNVVIFYMS-UHFFFAOYSA-N -1 1 367.369 2.092 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)n[nH]1 ZINC000740681324 603060719 /nfs/dbraw/zinc/06/07/19/603060719.db2.gz FNDJHRNVVIFYMS-UHFFFAOYSA-N -1 1 367.369 2.092 20 0 FEADMM CC(=O)Nc1cc(Cl)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823999925 607604751 /nfs/dbraw/zinc/60/47/51/607604751.db2.gz NEYMRBFNILPQNG-UHFFFAOYSA-N -1 1 372.772 2.231 20 0 FEADMM CC(=O)Nc1cc(Cl)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823999925 607604753 /nfs/dbraw/zinc/60/47/53/607604753.db2.gz NEYMRBFNILPQNG-UHFFFAOYSA-N -1 1 372.772 2.231 20 0 FEADMM CC[C@@]1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)OCCc2ccccc21 ZINC000809850799 674516734 /nfs/dbraw/zinc/51/67/34/674516734.db2.gz HXUYZRDXGYGABO-INIZCTEOSA-N -1 1 369.874 2.230 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NCCCCN2CCOCC2)c(Cl)c1 ZINC000740698053 603279873 /nfs/dbraw/zinc/27/98/73/603279873.db2.gz JUNFGZTYYWSOBU-UHFFFAOYSA-N -1 1 355.822 2.272 20 0 FEADMM Cc1nc([C@H]2CN(C(=O)Nc3ccc([C@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830678789 603456757 /nfs/dbraw/zinc/45/67/57/603456757.db2.gz QZPBSHZJUKDXKP-IINYFYTJSA-N -1 1 374.401 2.047 20 0 FEADMM C[C@H]1CN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cn2)C[C@H](C)O1 ZINC000826083187 603537866 /nfs/dbraw/zinc/53/78/66/603537866.db2.gz ZFOIJJVMURGNJI-KBPBESRZSA-N -1 1 371.441 2.470 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)Nc1cnn(-c2ccncc2)c1)Cc1ccccc1 ZINC000832113794 603555660 /nfs/dbraw/zinc/55/56/60/603555660.db2.gz KTVPXVOUMHYBOJ-OAHLLOKOSA-N -1 1 365.393 2.475 20 0 FEADMM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(NC(=O)[O-])nc1 ZINC000828557340 603557973 /nfs/dbraw/zinc/55/79/73/603557973.db2.gz OVMAGFCAKSPUEO-INIZCTEOSA-N -1 1 367.409 2.100 20 0 FEADMM CCN(CC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)C(=O)[O-] ZINC000827089751 603582768 /nfs/dbraw/zinc/58/27/68/603582768.db2.gz TTZSIHCTFYADGY-KRWDZBQOSA-N -1 1 373.453 2.026 20 0 FEADMM C[C@H](N(C)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C(C)(C)C ZINC000825056188 603591998 /nfs/dbraw/zinc/59/19/98/603591998.db2.gz PNPKXKBSSFEAGQ-VEVIJQCQSA-N -1 1 368.478 2.059 20 0 FEADMM CCN(CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)[C@H](C)C(C)C ZINC000827157001 603597574 /nfs/dbraw/zinc/59/75/74/603597574.db2.gz UASPBRJJQHLPPZ-GLJUWKHASA-N -1 1 368.478 2.059 20 0 FEADMM COc1cccc([C@@H](CNC(=O)C(C)(C)CNC(=O)[O-])N2CCCC2)c1 ZINC000829544853 603617735 /nfs/dbraw/zinc/61/77/35/603617735.db2.gz YIVAIPILVKNJFA-MRXNPFEDSA-N -1 1 363.458 2.242 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-])c1ccsc1 ZINC000827996342 603688885 /nfs/dbraw/zinc/68/88/85/603688885.db2.gz XJVLVTLJEIQDOF-MRVWCRGKSA-N -1 1 354.476 2.086 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000826116832 603784274 /nfs/dbraw/zinc/78/42/74/603784274.db2.gz VTUXMSVPOXMLLX-AMIZOPFISA-N -1 1 366.805 2.336 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1)c1cccnc1 ZINC000823712536 603910428 /nfs/dbraw/zinc/91/04/28/603910428.db2.gz JEAROGBPVKUIJY-LLVKDONJSA-N -1 1 366.381 2.377 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1)c1cccnc1 ZINC000823712536 603910431 /nfs/dbraw/zinc/91/04/31/603910431.db2.gz JEAROGBPVKUIJY-LLVKDONJSA-N -1 1 366.381 2.377 20 0 FEADMM C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823679111 603985120 /nfs/dbraw/zinc/98/51/20/603985120.db2.gz YDQZVZCSGXMMNB-CFVMTHIKSA-N -1 1 363.483 2.238 20 0 FEADMM Cc1noc2ncc(S(=O)(=O)Nc3cccc4c3CCN4C(=O)[O-])cc12 ZINC000830929313 604015844 /nfs/dbraw/zinc/01/58/44/604015844.db2.gz FAENJHPMJSDRBC-UHFFFAOYSA-N -1 1 374.378 2.373 20 0 FEADMM CC(C)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824216348 607666730 /nfs/dbraw/zinc/66/67/30/607666730.db2.gz QADLWVBBNQQBDE-UHFFFAOYSA-N -1 1 355.851 2.235 20 0 FEADMM CC(C)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824216348 607666732 /nfs/dbraw/zinc/66/67/32/607666732.db2.gz QADLWVBBNQQBDE-UHFFFAOYSA-N -1 1 355.851 2.235 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000827995112 604023016 /nfs/dbraw/zinc/02/30/16/604023016.db2.gz PXXPXRJVIOPXGP-CYBMUJFWSA-N -1 1 354.476 2.135 20 0 FEADMM C[C@@H](CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)NC(=O)[O-] ZINC000824793503 604045385 /nfs/dbraw/zinc/04/53/85/604045385.db2.gz LHCMXBUATOCQFR-FZMZJTMJSA-N -1 1 356.854 2.288 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827995227 604046592 /nfs/dbraw/zinc/04/65/92/604046592.db2.gz REKWLOHDQXYKGW-LSDHHAIUSA-N -1 1 368.865 2.384 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827995221 604046734 /nfs/dbraw/zinc/04/67/34/604046734.db2.gz REKWLOHDQXYKGW-CABCVRRESA-N -1 1 368.865 2.384 20 0 FEADMM O=C([O-])NC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)Cc2ccccc2C1 ZINC000832171441 604057874 /nfs/dbraw/zinc/05/78/74/604057874.db2.gz AKOYJOOOLSIWKS-UHFFFAOYSA-N -1 1 368.368 2.123 20 0 FEADMM O=S(=O)(Oc1cccnc1Cl)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493836 607677937 /nfs/dbraw/zinc/67/79/37/607677937.db2.gz FFCIXWWOPDXNDS-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000825253023 604220067 /nfs/dbraw/zinc/22/00/67/604220067.db2.gz HXSQXJUIGBQPQW-UONOGXRCSA-N -1 1 351.422 2.152 20 0 FEADMM COc1ccccc1CN(C)C(=O)CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829626011 604221668 /nfs/dbraw/zinc/22/16/68/604221668.db2.gz ALQXFEKUHLXQAY-CABCVRRESA-N -1 1 363.458 2.022 20 0 FEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000832846819 604285438 /nfs/dbraw/zinc/28/54/38/604285438.db2.gz UGIZBYPCFRYCAS-UHFFFAOYSA-N -1 1 356.426 2.119 20 0 FEADMM Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221742 604299340 /nfs/dbraw/zinc/29/93/40/604299340.db2.gz AZDOAOYJELSRMZ-AWEZNQCLSA-N -1 1 368.437 2.073 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](CC(=O)[O-])C3CC3)n2)cc1 ZINC000832907559 604307895 /nfs/dbraw/zinc/30/78/95/604307895.db2.gz BWUYSJIKHCDQRZ-ZDUSSCGKSA-N -1 1 360.439 2.242 20 0 FEADMM O=C(CNc1ccccc1Oc1ncccc1-c1nn[n-]n1)N1CCCC1 ZINC000826414182 607685100 /nfs/dbraw/zinc/68/51/00/607685100.db2.gz JGQVDEBTYRJZKH-UHFFFAOYSA-N -1 1 365.397 2.088 20 0 FEADMM O=C([O-])C[C@@H]1CCCN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000833211015 604488072 /nfs/dbraw/zinc/48/80/72/604488072.db2.gz QFEABERVYHLVFJ-KRWDZBQOSA-N -1 1 363.433 2.439 20 0 FEADMM CCc1cc2c(C[N@H+](C)[C@H](COC(C)C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000830224287 604516064 /nfs/dbraw/zinc/51/60/64/604516064.db2.gz KIJXNXSQZTXJLZ-OAHLLOKOSA-N -1 1 363.410 2.371 20 0 FEADMM CCc1cc2c(C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000830224287 604516066 /nfs/dbraw/zinc/51/60/66/604516066.db2.gz KIJXNXSQZTXJLZ-OAHLLOKOSA-N -1 1 363.410 2.371 20 0 FEADMM COC(=O)c1cncc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000833717794 604535823 /nfs/dbraw/zinc/53/58/23/604535823.db2.gz SVCQHKJFBTYRPD-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM CN1CCC2(CCCN2S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CC1 ZINC000833697959 604552239 /nfs/dbraw/zinc/55/22/39/604552239.db2.gz KNDPSKOCMSYRBL-UHFFFAOYSA-N -1 1 372.874 2.287 20 0 FEADMM CN1CCC2(CCCN2S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000833697067 604552269 /nfs/dbraw/zinc/55/22/69/604552269.db2.gz CHLKLGBELYEAQE-UHFFFAOYSA-N -1 1 372.874 2.287 20 0 FEADMM C[C@@H]1CN(C)[C@@H](C)CN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833627005 604569159 /nfs/dbraw/zinc/56/91/59/604569159.db2.gz PCOAAPZIVHEBAN-NWDGAFQWSA-N -1 1 365.499 2.288 20 0 FEADMM COc1cc(OC)cc([C@@H](OC(=O)[C@@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832067498 604599991 /nfs/dbraw/zinc/59/99/91/604599991.db2.gz QQWXIDLOVWNPOM-CZUORRHYSA-N -1 1 360.366 2.216 20 0 FEADMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000825383234 604615944 /nfs/dbraw/zinc/61/59/44/604615944.db2.gz NJNVFPUJIXAHPM-WMLDXEAASA-N -1 1 360.458 2.395 20 0 FEADMM CN1CC[C@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000833697044 604706934 /nfs/dbraw/zinc/70/69/34/604706934.db2.gz CALKRSURQYOIEB-ROUUACIJSA-N -1 1 374.462 2.250 20 0 FEADMM O=C([O-])N1CCO[C@H](C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)C1 ZINC000831767583 604730537 /nfs/dbraw/zinc/73/05/37/604730537.db2.gz GUIJOHYCMAERNX-AWEZNQCLSA-N -1 1 356.338 2.140 20 0 FEADMM CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])cn1 ZINC000833450833 604744566 /nfs/dbraw/zinc/74/45/66/604744566.db2.gz LKYFGXNVXUBRRF-UHFFFAOYSA-N -1 1 353.375 2.412 20 0 FEADMM CCc1ccc([C@]2(CC)NC(=O)N(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000830236691 604763244 /nfs/dbraw/zinc/76/32/44/604763244.db2.gz CYJWKEFRXRSRGA-AUJRIZCKSA-N -1 1 373.453 2.016 20 0 FEADMM Cc1nn(C)c(C)c1NC(=O)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000833014277 604785604 /nfs/dbraw/zinc/78/56/04/604785604.db2.gz RJKAEBZVFLTNMR-UHFFFAOYSA-N -1 1 358.442 2.342 20 0 FEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n[nH]2)c1 ZINC000829532176 604808814 /nfs/dbraw/zinc/80/88/14/604808814.db2.gz XBRHUYCUMQOEKH-CYBMUJFWSA-N -1 1 358.398 2.300 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1ccc(C)c(C)c1 ZINC000826295000 607716711 /nfs/dbraw/zinc/71/67/11/607716711.db2.gz MUAZVKHZJZMMAL-UHFFFAOYSA-N -1 1 374.404 2.385 20 0 FEADMM COc1ccccc1N1C(=O)C[C@@H](N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833736612 604857405 /nfs/dbraw/zinc/85/74/05/604857405.db2.gz QQEJLQVFQQZLLQ-UKRRQHHQSA-N -1 1 374.437 2.150 20 0 FEADMM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833544676 604900834 /nfs/dbraw/zinc/90/08/34/604900834.db2.gz IHQXMHAATURHFT-SKDRFNHKSA-N -1 1 353.831 2.356 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC000833549897 604935397 /nfs/dbraw/zinc/93/53/97/604935397.db2.gz IBMXYYGEFLFYDR-PBHICJAKSA-N -1 1 360.458 2.256 20 0 FEADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833387713 604937632 /nfs/dbraw/zinc/93/76/32/604937632.db2.gz KNLIRNSYFWNPBB-QZTJIDSGSA-N -1 1 374.481 2.126 20 0 FEADMM COCC1(C)CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000833722737 605021618 /nfs/dbraw/zinc/02/16/18/605021618.db2.gz GFNNTTWNWDTPJN-CYBMUJFWSA-N -1 1 352.456 2.300 20 0 FEADMM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000320714963 605073898 /nfs/dbraw/zinc/07/38/98/605073898.db2.gz UYVGTTVEGHKCPY-ZANVPECISA-N -1 1 353.831 2.356 20 0 FEADMM O=C([O-])N1CCC(n2cccc2C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000831594129 605126381 /nfs/dbraw/zinc/12/63/81/605126381.db2.gz ZBHHLJBOKGRGIP-CQSZACIVSA-N -1 1 357.414 2.334 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1cc2ccccc2o1 ZINC000833626869 605139330 /nfs/dbraw/zinc/13/93/30/605139330.db2.gz SFGXCPRPAXEXNU-CQSZACIVSA-N -1 1 359.426 2.166 20 0 FEADMM CN(C(=O)CN[C@@H](CCCO)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833685980 605146218 /nfs/dbraw/zinc/14/62/18/605146218.db2.gz OMKNLMDPTAEGJT-KRWDZBQOSA-N -1 1 356.422 2.451 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C[C@@H]1C ZINC000833656544 605164713 /nfs/dbraw/zinc/16/47/13/605164713.db2.gz JIVXFHSRPQTVLH-NWDGAFQWSA-N -1 1 363.414 2.118 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833746267 605177868 /nfs/dbraw/zinc/17/78/68/605177868.db2.gz WJSNQAXHMNWZPU-UHFFFAOYSA-N -1 1 369.425 2.484 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc2ccccc2c1 ZINC000833629377 605200499 /nfs/dbraw/zinc/20/04/99/605200499.db2.gz UKHYLQLYLFRHDQ-OAHLLOKOSA-N -1 1 355.438 2.259 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC000833745931 605222439 /nfs/dbraw/zinc/22/24/39/605222439.db2.gz HLRMEYPDNUNEDG-UHFFFAOYSA-N -1 1 354.410 2.092 20 0 FEADMM C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCN1CCC(=O)[O-] ZINC000833617583 605253215 /nfs/dbraw/zinc/25/32/15/605253215.db2.gz FGWOAAIWRSWDAK-CYBMUJFWSA-N -1 1 350.846 2.379 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCN1CCC(=O)[O-] ZINC000833618413 605254534 /nfs/dbraw/zinc/25/45/34/605254534.db2.gz NPKTYSUGEDLREH-UPJWGTAASA-N -1 1 352.381 2.076 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@H]21 ZINC000834185055 605458829 /nfs/dbraw/zinc/45/88/29/605458829.db2.gz HSSRVVDQRDUXQA-RAIGVLPGSA-N -1 1 352.822 2.042 20 0 FEADMM O=C([O-])NC1CCN(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000834189150 605542485 /nfs/dbraw/zinc/54/24/85/605542485.db2.gz HWNLOWRZMHXDDE-UHFFFAOYSA-N -1 1 367.356 2.171 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000833907256 605558914 /nfs/dbraw/zinc/55/89/14/605558914.db2.gz FAXSMWJMIHINGA-HUUCEWRRSA-N -1 1 365.499 2.181 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)n[nH]1 ZINC000830029580 605621475 /nfs/dbraw/zinc/62/14/75/605621475.db2.gz HXFXNPSGOKLIBY-IAQYHMDHSA-N -1 1 351.451 2.165 20 0 FEADMM CCOc1cc(N2CCN(C)CC2)ccc1N[C@H]1CCCN(C(=O)[O-])C1 ZINC000833861049 605694953 /nfs/dbraw/zinc/69/49/53/605694953.db2.gz FNCUBLGRBFIMPW-HNNXBMFYSA-N -1 1 362.474 2.391 20 0 FEADMM CC(C)(CC(=O)[O-])CC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000833451208 605725770 /nfs/dbraw/zinc/72/57/70/605725770.db2.gz JMCIJUUXAACEMY-UHFFFAOYSA-N -1 1 354.491 2.228 20 0 FEADMM O=C([O-])N1CC[C@@H](NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000831954047 605860114 /nfs/dbraw/zinc/86/01/14/605860114.db2.gz XNVLDYWALHONHW-DGCLKSJQSA-N -1 1 352.740 2.432 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)c3cccc(-c4nnc[nH]4)c3)cc2C1 ZINC000834057014 605919536 /nfs/dbraw/zinc/91/95/36/605919536.db2.gz BWMMJDFHPPYBBS-UHFFFAOYSA-N -1 1 364.365 2.155 20 0 FEADMM O=C([O-])NC[C@H]1CCCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000834216223 605950629 /nfs/dbraw/zinc/95/06/29/605950629.db2.gz PGXYRGAEGABUDT-CABCVRRESA-N -1 1 364.446 2.248 20 0 FEADMM O=C([O-])N1CCC([C@@H](NCC(=O)NCC2CC2)c2ccc(F)cc2)CC1 ZINC000834004472 605984061 /nfs/dbraw/zinc/98/40/61/605984061.db2.gz BUPBNPWGPQYAGO-SFHVURJKSA-N -1 1 363.433 2.373 20 0 FEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000834161208 606000315 /nfs/dbraw/zinc/00/03/15/606000315.db2.gz OSHHNOQHHKGILG-COXDJLHNSA-N -1 1 361.446 2.301 20 0 FEADMM O=C([O-])N[C@H](CC(F)F)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000834138870 606019524 /nfs/dbraw/zinc/01/95/24/606019524.db2.gz VATMEIQFJSEGAP-UONOGXRCSA-N -1 1 356.369 2.486 20 0 FEADMM Nc1n[nH]c(CCCNc2ncc(-c3ccccc3)s2)c1-c1nn[n-]n1 ZINC000822899671 606028233 /nfs/dbraw/zinc/02/82/33/606028233.db2.gz OIOBXKKPTWBRFC-UHFFFAOYSA-N -1 1 367.442 2.340 20 0 FEADMM Cc1cscc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000822414418 606132295 /nfs/dbraw/zinc/13/22/95/606132295.db2.gz FAARDWCNJKKTLA-UHFFFAOYSA-N -1 1 361.383 2.242 20 0 FEADMM Cc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822362159 606134543 /nfs/dbraw/zinc/13/45/43/606134543.db2.gz MYFKJOYJPRBXPK-LLVKDONJSA-N -1 1 371.422 2.098 20 0 FEADMM Cc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822362159 606134544 /nfs/dbraw/zinc/13/45/44/606134544.db2.gz MYFKJOYJPRBXPK-LLVKDONJSA-N -1 1 371.422 2.098 20 0 FEADMM O=C(OCc1nc(-c2ccsc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440414 606135054 /nfs/dbraw/zinc/13/50/54/606135054.db2.gz SEZQXIGXHLJOJI-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM O=C(OCc1nc(-c2ccsc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440414 606135055 /nfs/dbraw/zinc/13/50/55/606135055.db2.gz SEZQXIGXHLJOJI-UHFFFAOYSA-N -1 1 360.380 2.397 20 0 FEADMM COc1cc(C)ccc1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821708718 606137697 /nfs/dbraw/zinc/13/76/97/606137697.db2.gz XGOXXNJWFFRAKM-UHFFFAOYSA-N -1 1 358.379 2.285 20 0 FEADMM COc1cc(C)ccc1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821708718 606137699 /nfs/dbraw/zinc/13/76/99/606137699.db2.gz XGOXXNJWFFRAKM-UHFFFAOYSA-N -1 1 358.379 2.285 20 0 FEADMM O=C(OCc1cc(F)cc2c1OCOC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823413665 606138390 /nfs/dbraw/zinc/13/83/90/606138390.db2.gz LSTDYASYIXPVQA-UHFFFAOYSA-N -1 1 362.342 2.291 20 0 FEADMM O=C(OCc1cc(F)cc2c1OCOC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823413665 606138391 /nfs/dbraw/zinc/13/83/91/606138391.db2.gz LSTDYASYIXPVQA-UHFFFAOYSA-N -1 1 362.342 2.291 20 0 FEADMM Cc1ccc([C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000822230604 606162423 /nfs/dbraw/zinc/16/24/23/606162423.db2.gz LHXHOYKKTXBXHT-AWEZNQCLSA-N -1 1 352.402 2.181 20 0 FEADMM Cc1ccc([C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000822230604 606162424 /nfs/dbraw/zinc/16/24/24/606162424.db2.gz LHXHOYKKTXBXHT-AWEZNQCLSA-N -1 1 352.402 2.181 20 0 FEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820668105 606164808 /nfs/dbraw/zinc/16/48/08/606164808.db2.gz PKHOXZFHWUMSGB-JQWIXIFHSA-N -1 1 370.392 2.149 20 0 FEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820668105 606164810 /nfs/dbraw/zinc/16/48/10/606164810.db2.gz PKHOXZFHWUMSGB-JQWIXIFHSA-N -1 1 370.392 2.149 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000822609793 606173526 /nfs/dbraw/zinc/17/35/26/606173526.db2.gz VHZDMLZZCVQPDN-AWEZNQCLSA-N -1 1 366.429 2.402 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000822609793 606173527 /nfs/dbraw/zinc/17/35/27/606173527.db2.gz VHZDMLZZCVQPDN-AWEZNQCLSA-N -1 1 366.429 2.402 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC[C@@H]1CCCC1=O ZINC000822542029 606227045 /nfs/dbraw/zinc/22/70/45/606227045.db2.gz SRBDMATWVDHAHM-LBPRGKRZSA-N -1 1 369.381 2.475 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC[C@@H]1CCCC1=O ZINC000822542029 606227046 /nfs/dbraw/zinc/22/70/46/606227046.db2.gz SRBDMATWVDHAHM-LBPRGKRZSA-N -1 1 369.381 2.475 20 0 FEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)s1 ZINC000810109402 674532382 /nfs/dbraw/zinc/53/23/82/674532382.db2.gz AVWLWDNYKYJRET-UHFFFAOYSA-N -1 1 371.871 2.361 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C3CC3)nc3ccccc32)n1 ZINC000822620596 606260637 /nfs/dbraw/zinc/26/06/37/606260637.db2.gz YKKVCZOVCQOGPH-UHFFFAOYSA-N -1 1 360.381 2.278 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C3CC3)nc3ccccc32)n1 ZINC000822620596 606260638 /nfs/dbraw/zinc/26/06/38/606260638.db2.gz YKKVCZOVCQOGPH-UHFFFAOYSA-N -1 1 360.381 2.278 20 0 FEADMM CCOC(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821334241 606293953 /nfs/dbraw/zinc/29/39/53/606293953.db2.gz JTUZMOTYSSKSBQ-UHFFFAOYSA-N -1 1 368.353 2.393 20 0 FEADMM C[S@](=O)c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000821941816 606430563 /nfs/dbraw/zinc/43/05/63/606430563.db2.gz JVESQCRKJIRJLS-QFIPXVFZSA-N -1 1 354.848 2.326 20 0 FEADMM C[S@](=O)c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000821941816 606430565 /nfs/dbraw/zinc/43/05/65/606430565.db2.gz JVESQCRKJIRJLS-QFIPXVFZSA-N -1 1 354.848 2.326 20 0 FEADMM Clc1ccc(Sc2nnnn2Cc2ccccc2)nc1-c1nnn[n-]1 ZINC000822581738 606445401 /nfs/dbraw/zinc/44/54/01/606445401.db2.gz MUDQAIBEBSIBNH-UHFFFAOYSA-N -1 1 371.817 2.101 20 0 FEADMM Clc1ccc(Sc2nnnn2Cc2ccccc2)nc1-c1nn[n-]n1 ZINC000822581738 606445402 /nfs/dbraw/zinc/44/54/02/606445402.db2.gz MUDQAIBEBSIBNH-UHFFFAOYSA-N -1 1 371.817 2.101 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000823478365 606509242 /nfs/dbraw/zinc/50/92/42/606509242.db2.gz KDYNVHZVRMVPAX-WDEREUQCSA-N -1 1 365.484 2.055 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000823478365 606509243 /nfs/dbraw/zinc/50/92/43/606509243.db2.gz KDYNVHZVRMVPAX-WDEREUQCSA-N -1 1 365.484 2.055 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1csc(-c2ccoc2)n1 ZINC000823436009 606519109 /nfs/dbraw/zinc/51/91/09/606519109.db2.gz DPPJNNJPZWTGAX-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1csc(-c2ccoc2)n1 ZINC000823436009 606519113 /nfs/dbraw/zinc/51/91/13/606519113.db2.gz DPPJNNJPZWTGAX-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820533997 606532184 /nfs/dbraw/zinc/53/21/84/606532184.db2.gz IJBNLKUNZWDXGX-ZCFIWIBFSA-N -1 1 368.184 2.303 20 0 FEADMM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820533997 606532187 /nfs/dbraw/zinc/53/21/87/606532187.db2.gz IJBNLKUNZWDXGX-ZCFIWIBFSA-N -1 1 368.184 2.303 20 0 FEADMM COC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821664018 606533172 /nfs/dbraw/zinc/53/31/72/606533172.db2.gz ZBQGXVOOIRGBLU-UHFFFAOYSA-N -1 1 358.383 2.383 20 0 FEADMM COC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821664018 606533174 /nfs/dbraw/zinc/53/31/74/606533174.db2.gz ZBQGXVOOIRGBLU-UHFFFAOYSA-N -1 1 358.383 2.383 20 0 FEADMM CC(=O)N1CCCc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000819797057 606541761 /nfs/dbraw/zinc/54/17/61/606541761.db2.gz RYYRRNWEEGDTNP-UHFFFAOYSA-N -1 1 368.422 2.480 20 0 FEADMM CC(=O)N1CCCc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000819797057 606541763 /nfs/dbraw/zinc/54/17/63/606541763.db2.gz RYYRRNWEEGDTNP-UHFFFAOYSA-N -1 1 368.422 2.480 20 0 FEADMM COC(=O)CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821660659 606553714 /nfs/dbraw/zinc/55/37/14/606553714.db2.gz YYDWOVBBSFUKCC-LBPRGKRZSA-N -1 1 371.422 2.353 20 0 FEADMM COC(=O)CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821660659 606553716 /nfs/dbraw/zinc/55/37/16/606553716.db2.gz YYDWOVBBSFUKCC-LBPRGKRZSA-N -1 1 371.422 2.353 20 0 FEADMM O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139530 606571532 /nfs/dbraw/zinc/57/15/32/606571532.db2.gz HNKQSBGTSNQKGK-ZDUSSCGKSA-N -1 1 365.422 2.296 20 0 FEADMM O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139530 606571533 /nfs/dbraw/zinc/57/15/33/606571533.db2.gz HNKQSBGTSNQKGK-ZDUSSCGKSA-N -1 1 365.422 2.296 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n1 ZINC000822609256 606580075 /nfs/dbraw/zinc/58/00/75/606580075.db2.gz LGBJHQSYMJGJDM-CQSZACIVSA-N -1 1 370.392 2.498 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n1 ZINC000822609256 606580077 /nfs/dbraw/zinc/58/00/77/606580077.db2.gz LGBJHQSYMJGJDM-CQSZACIVSA-N -1 1 370.392 2.498 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821000750 606595694 /nfs/dbraw/zinc/59/56/94/606595694.db2.gz IUVHATBXEKZIBM-NSHDSACASA-N -1 1 358.431 2.203 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821000750 606595695 /nfs/dbraw/zinc/59/56/95/606595695.db2.gz IUVHATBXEKZIBM-NSHDSACASA-N -1 1 358.431 2.203 20 0 FEADMM CC(=O)NC1(c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)CCCCC1 ZINC000819802779 606619110 /nfs/dbraw/zinc/61/91/10/606619110.db2.gz JDXQCDDPXYQVQX-UHFFFAOYSA-N -1 1 359.415 2.274 20 0 FEADMM CC(=O)NC1(c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)CCCCC1 ZINC000819802779 606619112 /nfs/dbraw/zinc/61/91/12/606619112.db2.gz JDXQCDDPXYQVQX-UHFFFAOYSA-N -1 1 359.415 2.274 20 0 FEADMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)c(N2CCOCC2)c1 ZINC000822238763 606634111 /nfs/dbraw/zinc/63/41/11/606634111.db2.gz SWTNPCIHHHWPDE-UHFFFAOYSA-N -1 1 351.414 2.019 20 0 FEADMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)c(N2CCOCC2)c1 ZINC000822238763 606634112 /nfs/dbraw/zinc/63/41/12/606634112.db2.gz SWTNPCIHHHWPDE-UHFFFAOYSA-N -1 1 351.414 2.019 20 0 FEADMM Cc1nn(-c2ccccc2)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822486899 606647203 /nfs/dbraw/zinc/64/72/03/606647203.db2.gz UXTJZKHHSCWDCD-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM Cc1nn(-c2ccccc2)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822486899 606647204 /nfs/dbraw/zinc/64/72/04/606647204.db2.gz UXTJZKHHSCWDCD-UHFFFAOYSA-N -1 1 361.365 2.113 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823435901 606648443 /nfs/dbraw/zinc/64/84/43/606648443.db2.gz DCLCNHHVAGXKGD-AAEUAGOBSA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823435901 606648444 /nfs/dbraw/zinc/64/84/44/606648444.db2.gz DCLCNHHVAGXKGD-AAEUAGOBSA-N -1 1 357.320 2.387 20 0 FEADMM Cc1c(Cl)cccc1OCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822035808 606648797 /nfs/dbraw/zinc/64/87/97/606648797.db2.gz ZHLGMUIVFXXILM-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM Cc1c(Cl)cccc1OCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822035808 606648798 /nfs/dbraw/zinc/64/87/98/606648798.db2.gz ZHLGMUIVFXXILM-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822596800 606650620 /nfs/dbraw/zinc/65/06/20/606650620.db2.gz UDGHXGNRHMQKFD-UHFFFAOYSA-N -1 1 353.169 2.264 20 0 FEADMM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822596800 606650621 /nfs/dbraw/zinc/65/06/21/606650621.db2.gz UDGHXGNRHMQKFD-UHFFFAOYSA-N -1 1 353.169 2.264 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2c(F)cccc2F)n1 ZINC000819971119 606683854 /nfs/dbraw/zinc/68/38/54/606683854.db2.gz DKHPNXKSYHDFDH-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2c(F)cccc2F)n1 ZINC000819971119 606683855 /nfs/dbraw/zinc/68/38/55/606683855.db2.gz DKHPNXKSYHDFDH-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000822619631 606735541 /nfs/dbraw/zinc/73/55/41/606735541.db2.gz BRRHPQCNZXJBGD-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000822619631 606735542 /nfs/dbraw/zinc/73/55/42/606735542.db2.gz BRRHPQCNZXJBGD-UHFFFAOYSA-N -1 1 355.255 2.010 20 0 FEADMM CC(C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820047167 606742774 /nfs/dbraw/zinc/74/27/74/606742774.db2.gz VYCATRZQGIYFMV-JTQLQIEISA-N -1 1 355.851 2.187 20 0 FEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820735906 606803149 /nfs/dbraw/zinc/80/31/49/606803149.db2.gz VMMHIFWEXOIKQQ-CBAPKCEASA-N -1 1 367.866 2.036 20 0 FEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820735906 606803152 /nfs/dbraw/zinc/80/31/52/606803152.db2.gz VMMHIFWEXOIKQQ-CBAPKCEASA-N -1 1 367.866 2.036 20 0 FEADMM CN(CCOCc1ccccc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821603898 606806843 /nfs/dbraw/zinc/80/68/43/606806843.db2.gz UDGAAYSPPGTXQP-UHFFFAOYSA-N -1 1 361.409 2.463 20 0 FEADMM CN(CCOCc1ccccc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821603898 606806844 /nfs/dbraw/zinc/80/68/44/606806844.db2.gz UDGAAYSPPGTXQP-UHFFFAOYSA-N -1 1 361.409 2.463 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1sccc1Br ZINC000823383102 607025028 /nfs/dbraw/zinc/02/50/28/607025028.db2.gz LDUNFDIVAMCDHQ-UHFFFAOYSA-N -1 1 357.218 2.400 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1sccc1Br ZINC000823383102 607025030 /nfs/dbraw/zinc/02/50/30/607025030.db2.gz LDUNFDIVAMCDHQ-UHFFFAOYSA-N -1 1 357.218 2.400 20 0 FEADMM O=C(Cc1ccccc1Br)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823115871 607105369 /nfs/dbraw/zinc/10/53/69/607105369.db2.gz VVKTXEFVJCLPEY-UHFFFAOYSA-N -1 1 365.216 2.267 20 0 FEADMM O=C(Cc1ccccc1Br)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823115871 607105371 /nfs/dbraw/zinc/10/53/71/607105371.db2.gz VVKTXEFVJCLPEY-UHFFFAOYSA-N -1 1 365.216 2.267 20 0 FEADMM Clc1nsc(N[C@H]2CCOC3(CCOCC3)C2)c1-c1nnn[n-]1 ZINC000822590741 607175956 /nfs/dbraw/zinc/17/59/56/607175956.db2.gz OKNHYSUCCUWQMP-QMMMGPOBSA-N -1 1 356.839 2.117 20 0 FEADMM Clc1nsc(N[C@H]2CCOC3(CCOCC3)C2)c1-c1nn[n-]n1 ZINC000822590741 607175957 /nfs/dbraw/zinc/17/59/57/607175957.db2.gz OKNHYSUCCUWQMP-QMMMGPOBSA-N -1 1 356.839 2.117 20 0 FEADMM Cc1nc(Cc2nnc(Sc3cccc(-c4nnn[n-]4)n3)o2)cs1 ZINC000826326341 607895886 /nfs/dbraw/zinc/89/58/86/607895886.db2.gz LIGKOBLAQKGWOZ-UHFFFAOYSA-N -1 1 358.412 2.152 20 0 FEADMM Cc1nc(Cc2nnc(Sc3cccc(-c4nn[n-]n4)n3)o2)cs1 ZINC000826326341 607895887 /nfs/dbraw/zinc/89/58/87/607895887.db2.gz LIGKOBLAQKGWOZ-UHFFFAOYSA-N -1 1 358.412 2.152 20 0 FEADMM CN(C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)C(=O)OC(C)(C)C ZINC000825908624 607897204 /nfs/dbraw/zinc/89/72/04/607897204.db2.gz KAYVEYUZZIMQHJ-ZDUSSCGKSA-N -1 1 373.461 2.345 20 0 FEADMM CN(C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)C(=O)OC(C)(C)C ZINC000825908624 607897205 /nfs/dbraw/zinc/89/72/05/607897205.db2.gz KAYVEYUZZIMQHJ-ZDUSSCGKSA-N -1 1 373.461 2.345 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824109659 607902793 /nfs/dbraw/zinc/90/27/93/607902793.db2.gz VHYJCYMMAWVDTO-GFCCVEGCSA-N -1 1 359.434 2.145 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824109659 607902794 /nfs/dbraw/zinc/90/27/94/607902794.db2.gz VHYJCYMMAWVDTO-GFCCVEGCSA-N -1 1 359.434 2.145 20 0 FEADMM COc1ccccc1CN(C[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC000826219776 607903431 /nfs/dbraw/zinc/90/34/31/607903431.db2.gz QEIVBIROGKAVNM-OAHLLOKOSA-N -1 1 366.425 2.456 20 0 FEADMM COc1ccccc1CN(C[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC000826219776 607903432 /nfs/dbraw/zinc/90/34/32/607903432.db2.gz QEIVBIROGKAVNM-OAHLLOKOSA-N -1 1 366.425 2.456 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1csc([C@@H]2CCCO2)n1 ZINC000826450874 607929092 /nfs/dbraw/zinc/92/90/92/607929092.db2.gz HJCZOEMAPJBMHY-LBPRGKRZSA-N -1 1 358.383 2.133 20 0 FEADMM CN(c1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cs1)C1CC1 ZINC000826010108 607974183 /nfs/dbraw/zinc/97/41/83/607974183.db2.gz CWONDKSXZUCOCQ-UHFFFAOYSA-N -1 1 362.440 2.340 20 0 FEADMM CN(c1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cs1)C1CC1 ZINC000826010108 607974184 /nfs/dbraw/zinc/97/41/84/607974184.db2.gz CWONDKSXZUCOCQ-UHFFFAOYSA-N -1 1 362.440 2.340 20 0 FEADMM Cn1cnc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000826364694 607985006 /nfs/dbraw/zinc/98/50/06/607985006.db2.gz GRIAGCJHRJIZJE-UHFFFAOYSA-N -1 1 365.422 2.259 20 0 FEADMM O=C(CCSCc1ccccn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826408146 607998750 /nfs/dbraw/zinc/99/87/50/607998750.db2.gz RJUBRHXLUBJILZ-UHFFFAOYSA-N -1 1 356.411 2.229 20 0 FEADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCCCC1 ZINC000824384371 608211108 /nfs/dbraw/zinc/21/11/08/608211108.db2.gz BFEPCKKNVBJZIS-GFCCVEGCSA-N -1 1 374.493 2.170 20 0 FEADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCCCC1 ZINC000824384371 608211109 /nfs/dbraw/zinc/21/11/09/608211109.db2.gz BFEPCKKNVBJZIS-GFCCVEGCSA-N -1 1 374.493 2.170 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC000824961689 608341704 /nfs/dbraw/zinc/34/17/04/608341704.db2.gz GIGURBFYDDLVHI-VHSXEESVSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC000824961689 608341705 /nfs/dbraw/zinc/34/17/05/608341705.db2.gz GIGURBFYDDLVHI-VHSXEESVSA-N -1 1 355.851 2.187 20 0 FEADMM CN(Cc1csc(Br)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825992442 608405185 /nfs/dbraw/zinc/40/51/85/608405185.db2.gz XCIXMXAJFZKJLP-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CN(Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825992442 608405186 /nfs/dbraw/zinc/40/51/86/608405186.db2.gz XCIXMXAJFZKJLP-UHFFFAOYSA-N -1 1 352.221 2.117 20 0 FEADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825907927 608408456 /nfs/dbraw/zinc/40/84/56/608408456.db2.gz DFYPTCBOBYUFCL-YOEHRIQHSA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825907927 608408458 /nfs/dbraw/zinc/40/84/58/608408458.db2.gz DFYPTCBOBYUFCL-YOEHRIQHSA-N -1 1 351.414 2.261 20 0 FEADMM Brc1cccc([C@@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000823832910 608409012 /nfs/dbraw/zinc/40/90/12/608409012.db2.gz YPWDGQNBTXHAOU-JQWIXIFHSA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000823832910 608409014 /nfs/dbraw/zinc/40/90/14/608409014.db2.gz YPWDGQNBTXHAOU-JQWIXIFHSA-N -1 1 358.203 2.387 20 0 FEADMM FC(F)(F)c1ccccc1OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826369017 608416030 /nfs/dbraw/zinc/41/60/30/608416030.db2.gz JITOXRGRNAYQMC-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1ccccc1OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826369017 608416032 /nfs/dbraw/zinc/41/60/32/608416032.db2.gz JITOXRGRNAYQMC-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824236944 608416337 /nfs/dbraw/zinc/41/63/37/608416337.db2.gz PZMBGZGFCRUIET-LLVKDONJSA-N -1 1 362.438 2.008 20 0 FEADMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824236944 608416338 /nfs/dbraw/zinc/41/63/38/608416338.db2.gz PZMBGZGFCRUIET-LLVKDONJSA-N -1 1 362.438 2.008 20 0 FEADMM COc1ccccc1[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccn1 ZINC000826219031 608438583 /nfs/dbraw/zinc/43/85/83/608438583.db2.gz QZMAZWDOHAGZOF-KRWDZBQOSA-N -1 1 360.381 2.262 20 0 FEADMM COc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccn1 ZINC000826219031 608438585 /nfs/dbraw/zinc/43/85/85/608438585.db2.gz QZMAZWDOHAGZOF-KRWDZBQOSA-N -1 1 360.381 2.262 20 0 FEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010714 608553703 /nfs/dbraw/zinc/55/37/03/608553703.db2.gz PDTAUXNJMBFPQE-CZUORRHYSA-N -1 1 369.816 2.299 20 0 FEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010714 608553705 /nfs/dbraw/zinc/55/37/05/608553705.db2.gz PDTAUXNJMBFPQE-CZUORRHYSA-N -1 1 369.816 2.299 20 0 FEADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(C)(C)C ZINC000824384575 608556145 /nfs/dbraw/zinc/55/61/45/608556145.db2.gz DZWULYZKBGSIFE-NSHDSACASA-N -1 1 362.482 2.025 20 0 FEADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC(C)(C)C ZINC000824384575 608556147 /nfs/dbraw/zinc/55/61/47/608556147.db2.gz DZWULYZKBGSIFE-NSHDSACASA-N -1 1 362.482 2.025 20 0 FEADMM CC(C)[C@H]1CC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000824342043 608557624 /nfs/dbraw/zinc/55/76/24/608557624.db2.gz KDRPHXJZASJKSM-JOCQHMNTSA-N -1 1 374.493 2.025 20 0 FEADMM CC(C)[C@H]1CC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000824342043 608557625 /nfs/dbraw/zinc/55/76/25/608557625.db2.gz KDRPHXJZASJKSM-JOCQHMNTSA-N -1 1 374.493 2.025 20 0 FEADMM O=C(CC1CCCCC1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826404151 608665717 /nfs/dbraw/zinc/66/57/17/608665717.db2.gz PNDMWHLVTPGMRS-UHFFFAOYSA-N -1 1 358.446 2.074 20 0 FEADMM O=C(CC1CCCCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826404151 608665719 /nfs/dbraw/zinc/66/57/19/608665719.db2.gz PNDMWHLVTPGMRS-UHFFFAOYSA-N -1 1 358.446 2.074 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000826425217 608890453 /nfs/dbraw/zinc/89/04/53/608890453.db2.gz USAAOLKAGIBOIK-OAHLLOKOSA-N -1 1 365.422 2.031 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000826425217 608890456 /nfs/dbraw/zinc/89/04/56/608890456.db2.gz USAAOLKAGIBOIK-OAHLLOKOSA-N -1 1 365.422 2.031 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CCC2 ZINC000826514591 609150603 /nfs/dbraw/zinc/15/06/03/609150603.db2.gz WIIXEILYALMWNG-ZDUSSCGKSA-N -1 1 351.418 2.458 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CCC2 ZINC000826514591 609150605 /nfs/dbraw/zinc/15/06/05/609150605.db2.gz WIIXEILYALMWNG-ZDUSSCGKSA-N -1 1 351.418 2.458 20 0 FEADMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826430869 609234867 /nfs/dbraw/zinc/23/48/67/609234867.db2.gz LXYLRAAVOMFVBB-CYBMUJFWSA-N -1 1 354.345 2.045 20 0 FEADMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826430869 609234868 /nfs/dbraw/zinc/23/48/68/609234868.db2.gz LXYLRAAVOMFVBB-CYBMUJFWSA-N -1 1 354.345 2.045 20 0 FEADMM Cn1c(Cl)cnc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826356085 609279251 /nfs/dbraw/zinc/27/92/51/609279251.db2.gz ZJVVDJGKNHFGTG-UHFFFAOYSA-N -1 1 373.783 2.191 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(C)cc2F)cc1-c1nn[n-]n1 ZINC000826229757 609297085 /nfs/dbraw/zinc/29/70/85/609297085.db2.gz QEWIZTAVIHJCAM-UHFFFAOYSA-N -1 1 360.374 2.389 20 0 FEADMM CCn1nccc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825807256 609319694 /nfs/dbraw/zinc/31/96/94/609319694.db2.gz PEQZRKTVLLFDFR-UHFFFAOYSA-N -1 1 353.365 2.020 20 0 FEADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824505673 609355506 /nfs/dbraw/zinc/35/55/06/609355506.db2.gz GZDHASLAKDDAFV-SECBINFHSA-N -1 1 356.365 2.112 20 0 FEADMM CCCCN(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825282203 609356530 /nfs/dbraw/zinc/35/65/30/609356530.db2.gz QUWPSWJNHHZNSW-UHFFFAOYSA-N -1 1 358.381 2.455 20 0 FEADMM CC(C)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824248807 609362595 /nfs/dbraw/zinc/36/25/95/609362595.db2.gz CKKFKUAZLGZBQR-UHFFFAOYSA-N -1 1 358.381 2.359 20 0 FEADMM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCC1 ZINC000825820652 609363365 /nfs/dbraw/zinc/36/33/65/609363365.db2.gz OAOPGVBCMKUAOS-UHFFFAOYSA-N -1 1 356.365 2.208 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826346780 609468081 /nfs/dbraw/zinc/46/80/81/609468081.db2.gz VNDINWIAYYIERG-QMTHXVAHSA-N -1 1 352.398 2.460 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826346780 609468083 /nfs/dbraw/zinc/46/80/83/609468083.db2.gz VNDINWIAYYIERG-QMTHXVAHSA-N -1 1 352.398 2.460 20 0 FEADMM CCc1nn(C[C@H]2CCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763168 609514203 /nfs/dbraw/zinc/51/42/03/609514203.db2.gz QVVNAOYCSISZGD-CYBMUJFWSA-N -1 1 350.426 2.278 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)cc1F ZINC000560014032 674563816 /nfs/dbraw/zinc/56/38/16/674563816.db2.gz WMPAFKWAROQKOC-UHFFFAOYSA-N -1 1 362.382 2.487 20 0 FEADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810904768 674567671 /nfs/dbraw/zinc/56/76/71/674567671.db2.gz ICVPTNHKGGQGQC-SKDRFNHKSA-N -1 1 361.364 2.312 20 0 FEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000560416787 674585363 /nfs/dbraw/zinc/58/53/63/674585363.db2.gz MFJSDDNPNUELAM-LURJTMIESA-N -1 1 363.716 2.411 20 0 FEADMM CC1(C)CC[C@](NS(=O)(=O)c2c(F)cc(F)cc2F)(C(=O)[O-])C1 ZINC000560421821 674586532 /nfs/dbraw/zinc/58/65/32/674586532.db2.gz SBVZXSHHCVZRBV-CQSZACIVSA-N -1 1 351.346 2.416 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1ccc(OC)cc1 ZINC000560686019 674609578 /nfs/dbraw/zinc/60/95/78/674609578.db2.gz UKNJLIVYHDDSQL-INIZCTEOSA-N -1 1 367.398 2.168 20 0 FEADMM O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000811569143 674614454 /nfs/dbraw/zinc/61/44/54/674614454.db2.gz UQERRDGXXNCFQB-DOMZBBRYSA-N -1 1 364.195 2.379 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)ccnc1Cl ZINC000811836029 674632814 /nfs/dbraw/zinc/63/28/14/674632814.db2.gz AJZYNHRSCUHBMI-UHFFFAOYSA-N -1 1 364.818 2.035 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)NCCOC2CCCC2)C1)C(F)(F)F ZINC000811876230 674634925 /nfs/dbraw/zinc/63/49/25/674634925.db2.gz SUKUZFPQRQHRTR-LBPRGKRZSA-N -1 1 365.396 2.046 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)NCCOC2CCCC2)C1)C(F)(F)F ZINC000811876229 674634992 /nfs/dbraw/zinc/63/49/92/674634992.db2.gz SUKUZFPQRQHRTR-GFCCVEGCSA-N -1 1 365.396 2.046 20 0 FEADMM FC(F)(F)c1nc(=NCc2nc(COc3ccccc3)n[nH]2)s[n-]1 ZINC000561274091 674653048 /nfs/dbraw/zinc/65/30/48/674653048.db2.gz MJRGOHLTMBAAEA-UHFFFAOYSA-N -1 1 356.333 2.288 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(F)c1 ZINC000561562378 674680467 /nfs/dbraw/zinc/68/04/67/674680467.db2.gz QLJGLDLURBURBV-UHFFFAOYSA-N -1 1 355.309 2.232 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccccc2C(C)C)C(=O)[N-]C1=S ZINC000814343864 674832771 /nfs/dbraw/zinc/83/27/71/674832771.db2.gz ZILGBXGLAPZARR-NTCAYCPXSA-N -1 1 361.467 2.386 20 0 FEADMM CCC(Nc1ccc(C)c(F)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814351028 674833068 /nfs/dbraw/zinc/83/30/68/674833068.db2.gz SWSGJFQPKOVNTF-BUHFOSPRSA-N -1 1 365.430 2.100 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCCCO1 ZINC000564525356 675031618 /nfs/dbraw/zinc/03/16/18/675031618.db2.gz RVZODDUNBSKDGK-UHFFFAOYSA-N -1 1 367.254 2.216 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c1 ZINC000564550475 675035314 /nfs/dbraw/zinc/03/53/14/675035314.db2.gz STAOHRAQDMSXCK-UHFFFAOYSA-N -1 1 363.391 2.240 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2=C(C)OCCS2)n[n-]1 ZINC000816409383 675053553 /nfs/dbraw/zinc/05/35/53/675053553.db2.gz MPPIKWXRKFPRQQ-NSHDSACASA-N -1 1 368.459 2.180 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2=C(C)OCCS2)[n-]1 ZINC000816409383 675053555 /nfs/dbraw/zinc/05/35/55/675053555.db2.gz MPPIKWXRKFPRQQ-NSHDSACASA-N -1 1 368.459 2.180 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2=C(C)OCCS2)n1 ZINC000816409383 675053556 /nfs/dbraw/zinc/05/35/56/675053556.db2.gz MPPIKWXRKFPRQQ-NSHDSACASA-N -1 1 368.459 2.180 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(Br)cc1 ZINC000564759104 675058789 /nfs/dbraw/zinc/05/87/89/675058789.db2.gz XDJMHVKEWFMUJZ-QMMMGPOBSA-N -1 1 374.260 2.237 20 0 FEADMM O=C(COC(=O)Cc1ccsc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000006423635 669959795 /nfs/dbraw/zinc/95/97/95/669959795.db2.gz WFHJRQFXEKFGAD-UHFFFAOYSA-N -1 1 369.345 2.392 20 0 FEADMM CCn1ncn([N-]C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)c1=O ZINC000816737241 675076323 /nfs/dbraw/zinc/07/63/23/675076323.db2.gz FINVQRZOZXSCRV-UHFFFAOYSA-N -1 1 358.423 2.494 20 0 FEADMM CCCc1cc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)n[nH]1 ZINC000030027955 670105903 /nfs/dbraw/zinc/10/59/03/670105903.db2.gz PSDKADMFAFFNAK-UHFFFAOYSA-N -1 1 357.439 2.396 20 0 FEADMM COc1cc(NC(=O)c2ccc3c(c2)CCO3)ccc1[N-]S(C)(=O)=O ZINC000033070600 670133748 /nfs/dbraw/zinc/13/37/48/670133748.db2.gz NLJREEFWOUBNDM-UHFFFAOYSA-N -1 1 362.407 2.254 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OC)o1 ZINC000042264147 670160533 /nfs/dbraw/zinc/16/05/33/670160533.db2.gz RQSXCVHHPKFLLY-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM COc1cccc(C(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC000042776368 670168636 /nfs/dbraw/zinc/16/86/36/670168636.db2.gz PZRMGSYCWHHGCE-UHFFFAOYSA-N -1 1 369.420 2.168 20 0 FEADMM COc1ccccc1CC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044035885 670182902 /nfs/dbraw/zinc/18/29/02/670182902.db2.gz JOHBFEURENFRJF-UHFFFAOYSA-N -1 1 364.423 2.257 20 0 FEADMM COc1ccc(NC(=S)NCCCSC)cc1[N-]S(C)(=O)=O ZINC000044383723 670189977 /nfs/dbraw/zinc/18/99/77/670189977.db2.gz VFVIEXYPNKNYTA-UHFFFAOYSA-N -1 1 363.530 2.106 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cccs1 ZINC000045574254 670206028 /nfs/dbraw/zinc/20/60/28/670206028.db2.gz IHKVKQGBKABJBW-UHFFFAOYSA-N -1 1 352.437 2.491 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cnn(C)c2Cl)no1 ZINC000817093343 675097547 /nfs/dbraw/zinc/09/75/47/675097547.db2.gz XDXVOKKXCQUOQW-ZETCQYMHSA-N -1 1 373.847 2.225 20 0 FEADMM COCCN1C(=O)C(=CNc2cc(Cl)cc(Cl)c2)C(=O)[N-]C1=S ZINC000060861331 670390164 /nfs/dbraw/zinc/39/01/64/670390164.db2.gz SWWOBCGWOUVHHI-XFFZJAGNSA-N -1 1 374.249 2.179 20 0 FEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(I)cc1F ZINC000565232281 675104108 /nfs/dbraw/zinc/10/41/08/675104108.db2.gz BNTGZGAMBUUEKR-SSDOTTSWSA-N -1 1 373.187 2.207 20 0 FEADMM CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066626230 670445397 /nfs/dbraw/zinc/44/53/97/670445397.db2.gz JLQHYUQVGQLYRG-GFCCVEGCSA-N -1 1 362.455 2.083 20 0 FEADMM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1n[n-]c(=S)n1C ZINC000066625728 670445414 /nfs/dbraw/zinc/44/54/14/670445414.db2.gz JXDRCBQANALJRJ-JTQLQIEISA-N -1 1 359.459 2.432 20 0 FEADMM O=C(CCc1nc2ccccc2[nH]1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067093722 670453412 /nfs/dbraw/zinc/45/34/12/670453412.db2.gz IBZQRMMQKZJDFV-UHFFFAOYSA-N -1 1 356.455 2.443 20 0 FEADMM CC(C)C[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)C(=O)[O-] ZINC000569139697 670516098 /nfs/dbraw/zinc/51/60/98/670516098.db2.gz RGWFJWRKXMHGQP-ZBEGNZNMSA-N -1 1 371.275 2.486 20 0 FEADMM C#CCNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075962236 670539191 /nfs/dbraw/zinc/53/91/91/670539191.db2.gz WXVNMSFFDZQWEA-UHFFFAOYSA-N -1 1 357.435 2.262 20 0 FEADMM Cc1ncc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cn1 ZINC000817293661 675118492 /nfs/dbraw/zinc/11/84/92/675118492.db2.gz NWHLNHAJNCYCER-AWEZNQCLSA-N -1 1 350.344 2.395 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)OC1CCCCC1 ZINC000078532315 670588740 /nfs/dbraw/zinc/58/87/40/670588740.db2.gz ZBZAZVAPRSICNC-UHFFFAOYSA-N -1 1 351.346 2.258 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)cc(Cl)c1[O-] ZINC000569789715 670612354 /nfs/dbraw/zinc/61/23/54/670612354.db2.gz FFLWYOXWLBKNDE-LSDHHAIUSA-N -1 1 368.861 2.427 20 0 FEADMM CCC[C@H]1CCc2nc(NC(=O)Cc3sc(N)nc3[O-])sc2C1 ZINC000079858732 670612404 /nfs/dbraw/zinc/61/24/04/670612404.db2.gz ILAGNCCZOPYWBV-KWQFWETISA-N -1 1 352.485 2.333 20 0 FEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1sc(N)nc1[O-] ZINC000080211540 670618792 /nfs/dbraw/zinc/61/87/92/670618792.db2.gz XPXVJVFVQROMCX-KWQFWETISA-N -1 1 359.373 2.099 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCC2(c3cccs3)CCCCC2)s1 ZINC000080417366 670624737 /nfs/dbraw/zinc/62/47/37/670624737.db2.gz QGWFUXSAJRNHNK-LLVKDONJSA-N -1 1 351.497 2.413 20 0 FEADMM Cc1c(Cl)c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nn1C ZINC000817410323 675130297 /nfs/dbraw/zinc/13/02/97/675130297.db2.gz XSMBEUFWJCEUMK-SNVBAGLBSA-N -1 1 352.788 2.272 20 0 FEADMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1 ZINC000570278419 670688713 /nfs/dbraw/zinc/68/87/13/670688713.db2.gz CRCKHIPJTVQNID-UHFFFAOYSA-N -1 1 363.443 2.468 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@](C)(CO)Cc2ccccc2)sc1C ZINC000570747570 670763087 /nfs/dbraw/zinc/76/30/87/670763087.db2.gz ONVMDZZPZIUIBT-MRXNPFEDSA-N -1 1 354.497 2.280 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C[C@H]2CCCCN12 ZINC000570937854 670790365 /nfs/dbraw/zinc/79/03/65/670790365.db2.gz SCVBLKNINHZPGP-HTQZYQBOSA-N -1 1 369.295 2.487 20 0 FEADMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2c(F)ccc([O-])c2F)cn1 ZINC000570972642 670795543 /nfs/dbraw/zinc/79/55/43/670795543.db2.gz IFIRDKDAUCOOJT-UHFFFAOYSA-N -1 1 353.325 2.417 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(F)(F)C1 ZINC000570979830 670796619 /nfs/dbraw/zinc/79/66/19/670796619.db2.gz MALHGTBJMCXXQN-UHFFFAOYSA-N -1 1 373.208 2.139 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](CO)C1)c1ccc(Br)o1 ZINC000570995342 670798608 /nfs/dbraw/zinc/79/86/08/670798608.db2.gz NXARIJNGRPPPMC-VHSXEESVSA-N -1 1 352.250 2.119 20 0 FEADMM O=C(CCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)NC1CCCC1 ZINC000571014968 670800876 /nfs/dbraw/zinc/80/08/76/670800876.db2.gz AIUXLWGCRQZOPD-UHFFFAOYSA-N -1 1 365.430 2.438 20 0 FEADMM O=C(CCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1)NC1CCCC1 ZINC000571014968 670800883 /nfs/dbraw/zinc/80/08/83/670800883.db2.gz AIUXLWGCRQZOPD-UHFFFAOYSA-N -1 1 365.430 2.438 20 0 FEADMM O=C([O-])CCCCCN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000565662449 675141399 /nfs/dbraw/zinc/14/13/99/675141399.db2.gz AVBWLVHBOLEGEF-HNNXBMFYSA-N -1 1 372.462 2.213 20 0 FEADMM C[C@H](CCO)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000571156754 670825407 /nfs/dbraw/zinc/82/54/07/670825407.db2.gz VTROTPQAQBBMBS-SECBINFHSA-N -1 1 353.216 2.451 20 0 FEADMM CN1CC[C@H](CNC(=O)C2(C(=O)[O-])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571169760 670829060 /nfs/dbraw/zinc/82/90/60/670829060.db2.gz OAOGXIHAOITEIV-BXUZGUMPSA-N -1 1 354.809 2.453 20 0 FEADMM CCOC(=O)N[C@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000117319338 670913911 /nfs/dbraw/zinc/91/39/11/670913911.db2.gz ADDFMHMAWDDCFY-LBPRGKRZSA-N -1 1 362.459 2.171 20 0 FEADMM CCOC(=O)N[C@@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000117319336 670914110 /nfs/dbraw/zinc/91/41/10/670914110.db2.gz ADDFMHMAWDDCFY-GFCCVEGCSA-N -1 1 362.459 2.171 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C(CC)(CC)CO)c1 ZINC000572177568 670969804 /nfs/dbraw/zinc/96/98/04/670969804.db2.gz WPFBOFLXBAMTKG-UHFFFAOYSA-N -1 1 372.487 2.160 20 0 FEADMM O=c1cc(C(F)F)nc(SCCc2nnnn2-c2ccccc2)[n-]1 ZINC000572289918 670982940 /nfs/dbraw/zinc/98/29/40/670982940.db2.gz XHEQGYIMTQXZCM-UHFFFAOYSA-N -1 1 350.354 2.430 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCO[C@H]1CCCc2ccccc21 ZINC000573250163 671099655 /nfs/dbraw/zinc/09/96/55/671099655.db2.gz BJBRMWNOENFJNY-HNNXBMFYSA-N -1 1 365.455 2.328 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)n1C1CC1 ZINC000574184097 671212261 /nfs/dbraw/zinc/21/22/61/671212261.db2.gz GUWHUEDQLOQQBJ-UHFFFAOYSA-N -1 1 362.789 2.332 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H](C)C(F)(F)F)n[n-]1 ZINC000574287071 671223051 /nfs/dbraw/zinc/22/30/51/671223051.db2.gz WBURZIOZDRILHV-BDAKNGLRSA-N -1 1 350.341 2.383 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H](C)C(F)(F)F)[n-]1 ZINC000574287071 671223052 /nfs/dbraw/zinc/22/30/52/671223052.db2.gz WBURZIOZDRILHV-BDAKNGLRSA-N -1 1 350.341 2.383 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H](C)C(F)(F)F)n1 ZINC000574287071 671223053 /nfs/dbraw/zinc/22/30/53/671223053.db2.gz WBURZIOZDRILHV-BDAKNGLRSA-N -1 1 350.341 2.383 20 0 FEADMM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H]3CCOC4(CCOCC4)C3)c12 ZINC000574813695 671279192 /nfs/dbraw/zinc/27/91/92/671279192.db2.gz GEESIUJSQHUXQF-LLVKDONJSA-N -1 1 363.439 2.260 20 0 FEADMM COc1cccc2c(C(=O)N=c3nc(-c4cccnc4)[n-]s3)n[nH]c21 ZINC000575837918 671324209 /nfs/dbraw/zinc/32/42/09/671324209.db2.gz SVCUHEGSRJGHQQ-UHFFFAOYSA-N -1 1 352.379 2.159 20 0 FEADMM C[C@@H](C(=O)[O-])C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000566210904 675194015 /nfs/dbraw/zinc/19/40/15/675194015.db2.gz FHFHBOWKNJZOQK-GFCCVEGCSA-N -1 1 358.360 2.460 20 0 FEADMM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000576390657 671365193 /nfs/dbraw/zinc/36/51/93/671365193.db2.gz IAUYWEIEQAICOR-NXEZZACHSA-N -1 1 365.282 2.386 20 0 FEADMM Cc1ccc(SCCNC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000576399877 671366011 /nfs/dbraw/zinc/36/60/11/671366011.db2.gz VHZNGSWXRFMELD-CABCVRRESA-N -1 1 350.484 2.388 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000576399877 671366014 /nfs/dbraw/zinc/36/60/14/671366014.db2.gz VHZNGSWXRFMELD-CABCVRRESA-N -1 1 350.484 2.388 20 0 FEADMM Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000578429778 671664611 /nfs/dbraw/zinc/66/46/11/671664611.db2.gz FTBPHJXRFGZLNI-CZUORRHYSA-N -1 1 361.423 2.365 20 0 FEADMM CCCCOCCOCC[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000579704647 671754574 /nfs/dbraw/zinc/75/45/74/671754574.db2.gz GCPKIUWHNHUMQZ-UHFFFAOYSA-N -1 1 358.485 2.408 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1c(N)noc1C)Oc1ccccc1Cl ZINC000580130486 671784636 /nfs/dbraw/zinc/78/46/36/671784636.db2.gz VYWVLXRAYNRPKR-SNVBAGLBSA-N -1 1 359.835 2.355 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)sc1C ZINC000580145562 671785450 /nfs/dbraw/zinc/78/54/50/671785450.db2.gz LKMVOLOOFYHBDS-GFCCVEGCSA-N -1 1 355.460 2.456 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc1F ZINC000581104734 671863830 /nfs/dbraw/zinc/86/38/30/671863830.db2.gz XMFOCZGEBSSLDO-UHFFFAOYSA-N -1 1 352.299 2.172 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)c1Cl ZINC000118437943 671885959 /nfs/dbraw/zinc/88/59/59/671885959.db2.gz BXESYPXGMQEKMU-UHFFFAOYSA-N -1 1 355.847 2.483 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)co1 ZINC000119105163 671892713 /nfs/dbraw/zinc/89/27/13/671892713.db2.gz GYMPBKKOHQRBOM-NSHDSACASA-N -1 1 364.301 2.043 20 0 FEADMM Cn1c(=O)oc2c1cccc2C(=O)Nc1nc(Br)ccc1[O-] ZINC000121548409 671952106 /nfs/dbraw/zinc/95/21/06/671952106.db2.gz OUYNCBHCYXSDAD-UHFFFAOYSA-N -1 1 364.155 2.247 20 0 FEADMM CC[C@@H]1CN(c2cc(C(C)(C)C)nc(C(=O)[O-])n2)CCN1CCOC ZINC000582065423 671964626 /nfs/dbraw/zinc/96/46/26/671964626.db2.gz MHNNVHKNJHEEOE-CYBMUJFWSA-N -1 1 350.463 2.019 20 0 FEADMM COCC1(CCNC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CC1 ZINC000582120715 671970236 /nfs/dbraw/zinc/97/02/36/671970236.db2.gz MNRXKGWVYINEIW-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM CO[C@H]1C[C@@H](CC(=O)[O-])N(CCOc2ccccc2Br)C1 ZINC000582612745 672018527 /nfs/dbraw/zinc/01/85/27/672018527.db2.gz XGGLXYHCVDLXNN-RYUDHWBXSA-N -1 1 358.232 2.392 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3c(=O)[nH][nH]c3=O)cc2)c1 ZINC000582644320 672020664 /nfs/dbraw/zinc/02/06/64/672020664.db2.gz SSTPDVUDLUKXGF-UHFFFAOYSA-N -1 1 360.395 2.042 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]2CCCCN12 ZINC000582654987 672022227 /nfs/dbraw/zinc/02/22/27/672022227.db2.gz YFQRWZBYYCVLEZ-CABZTGNLSA-N -1 1 363.266 2.425 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)(C(=O)OC)c1ccccc1 ZINC000610470063 675973838 /nfs/dbraw/zinc/97/38/38/675973838.db2.gz FRMCNTMVQPOODL-KRWDZBQOSA-N -1 1 365.455 2.290 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1nccs1 ZINC000129268320 672059919 /nfs/dbraw/zinc/05/99/19/672059919.db2.gz SJFYZGSZJZQHLS-GFCCVEGCSA-N -1 1 357.443 2.084 20 0 FEADMM CCOC(=O)N1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000130997544 672082527 /nfs/dbraw/zinc/08/25/27/672082527.db2.gz MYEJRSQDGQZNPC-UHFFFAOYSA-N -1 1 364.826 2.378 20 0 FEADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000583971261 672143038 /nfs/dbraw/zinc/14/30/38/672143038.db2.gz QMZCPXRXFVGPSE-ZWNOBZJWSA-N -1 1 356.348 2.089 20 0 FEADMM C[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)[C@@H]1OCCc2sccc21 ZINC000584049384 672150935 /nfs/dbraw/zinc/15/09/35/672150935.db2.gz YFQBACDADBFYHH-MJVIPROJSA-N -1 1 363.439 2.493 20 0 FEADMM COC(=O)[C@H](CN=c1nc(C(C)C)[n-]s1)Cc1ccc(O)c(F)c1 ZINC000584403755 672184594 /nfs/dbraw/zinc/18/45/94/672184594.db2.gz MEJDUWYLBLZFES-NSHDSACASA-N -1 1 353.419 2.372 20 0 FEADMM CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000153553841 672200740 /nfs/dbraw/zinc/20/07/40/672200740.db2.gz YUSKEDQQWFTRCB-UHFFFAOYSA-N -1 1 354.222 2.297 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)c1ccccc1F ZINC000610702068 675990124 /nfs/dbraw/zinc/99/01/24/675990124.db2.gz DFGMHWGDVPGINB-MRXNPFEDSA-N -1 1 367.398 2.168 20 0 FEADMM C[N@H+](CCCNC(=O)C(F)(F)F)CC(=O)Nc1cccc(Cl)c1 ZINC000154278098 672213571 /nfs/dbraw/zinc/21/35/71/672213571.db2.gz ZBDHMNTVIAOMJR-UHFFFAOYSA-N -1 1 351.756 2.279 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)n1 ZINC000155541972 672235132 /nfs/dbraw/zinc/23/51/32/672235132.db2.gz NTWVIFCTEGSGGL-KWQFWETISA-N -1 1 351.769 2.460 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000156377780 672245495 /nfs/dbraw/zinc/24/54/95/672245495.db2.gz KZNFEEPDRIXZMR-SECBINFHSA-N -1 1 368.231 2.279 20 0 FEADMM Nc1nc([O-])c(CC(=O)NC2(c3ccc(F)cc3F)CCCC2)s1 ZINC000161141472 672295928 /nfs/dbraw/zinc/29/59/28/672295928.db2.gz PWGJWYFDBTYWIK-LBPRGKRZSA-N -1 1 353.394 2.197 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C(F)(F)F)c2C)oc1C ZINC000611101920 676017090 /nfs/dbraw/zinc/01/70/90/676017090.db2.gz PJFFIBRSSUXMCK-UHFFFAOYSA-N -1 1 367.305 2.226 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(C)C1CC1 ZINC000180260717 672411820 /nfs/dbraw/zinc/41/18/20/672411820.db2.gz OIVSEFDPKIWIBI-ZCFIWIBFSA-N -1 1 358.332 2.143 20 0 FEADMM CN(C)C(=O)CC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000180551650 672415144 /nfs/dbraw/zinc/41/51/44/672415144.db2.gz CBDKWVRSDVICKE-UHFFFAOYSA-N -1 1 360.487 2.150 20 0 FEADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])o1 ZINC000679114048 672467163 /nfs/dbraw/zinc/46/71/63/672467163.db2.gz PXNALEOEUBQQNH-GWCFXTLKSA-N -1 1 364.423 2.327 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000588681939 672471616 /nfs/dbraw/zinc/47/16/16/672471616.db2.gz OOSJLFQMFAPKRE-UHFFFAOYSA-N -1 1 355.362 2.387 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1ccc(F)c(F)c1F ZINC000589149855 672509749 /nfs/dbraw/zinc/50/97/49/672509749.db2.gz NTYZQBNOCHSLBL-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CC(C(F)F)C1 ZINC000611212898 676025542 /nfs/dbraw/zinc/02/55/42/676025542.db2.gz XFTCBDPUQLDKNK-UHFFFAOYSA-N -1 1 353.106 2.334 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1Cl ZINC000185104028 672519117 /nfs/dbraw/zinc/51/91/17/672519117.db2.gz HCKGNEAIZAZRDF-ZYHUDNBSSA-N -1 1 372.874 2.250 20 0 FEADMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000589429641 672524505 /nfs/dbraw/zinc/52/45/05/672524505.db2.gz IWLWLYKLEZLTGB-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C)Cc2ccc(F)cc2)co1 ZINC000187733492 672576499 /nfs/dbraw/zinc/57/64/99/672576499.db2.gz METBXMNESKHOQY-NSHDSACASA-N -1 1 355.387 2.362 20 0 FEADMM CS(=O)(=O)c1ccccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000188339530 672588573 /nfs/dbraw/zinc/58/85/73/672588573.db2.gz UXLHXHIMBIWPCZ-UHFFFAOYSA-N -1 1 371.212 2.206 20 0 FEADMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2ncnc3sccc32)CC1 ZINC000681017104 672621798 /nfs/dbraw/zinc/62/17/98/672621798.db2.gz SYSXZDXBUXPHAW-UHFFFAOYSA-N -1 1 358.398 2.498 20 0 FEADMM Nc1ccccc1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000681029690 672623004 /nfs/dbraw/zinc/62/30/04/672623004.db2.gz MJPKLKSTWUCDRD-UHFFFAOYSA-N -1 1 360.435 2.258 20 0 FEADMM O=C(c1ccc([O-])c(F)c1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000681032646 672623608 /nfs/dbraw/zinc/62/36/08/672623608.db2.gz GQZJDVGGTBRSRV-UHFFFAOYSA-N -1 1 354.332 2.081 20 0 FEADMM O=C(NCc1nc2cc(Br)cnc2[nH]1)c1ccc([O-])c(F)c1 ZINC000681050696 672624495 /nfs/dbraw/zinc/62/44/95/672624495.db2.gz KJYHDEVTDGOWMX-UHFFFAOYSA-N -1 1 365.162 2.495 20 0 FEADMM C[C@@H](OCC1CC1)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000681124118 672631221 /nfs/dbraw/zinc/63/12/21/672631221.db2.gz FNPZKLDUEZHHEC-OQPBUACISA-N -1 1 353.785 2.013 20 0 FEADMM O=C(Cc1ccccc1Br)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000591441775 672681417 /nfs/dbraw/zinc/68/14/17/672681417.db2.gz REKFOKMPARLMBW-OAHLLOKOSA-N -1 1 372.226 2.411 20 0 FEADMM O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000591818234 672714325 /nfs/dbraw/zinc/71/43/25/672714325.db2.gz DXQLOVJGNLJMQF-UHFFFAOYSA-N -1 1 364.389 2.079 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592074762 672748148 /nfs/dbraw/zinc/74/81/48/672748148.db2.gz NIFCPJYFHQJTCJ-SNVBAGLBSA-N -1 1 368.377 2.357 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)[C@@H]1SC ZINC000592105645 672758172 /nfs/dbraw/zinc/75/81/72/672758172.db2.gz UWENUMVMCNYOPS-UPJWGTAASA-N -1 1 367.439 2.161 20 0 FEADMM CCC(CC)CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106493 672758521 /nfs/dbraw/zinc/75/85/21/672758521.db2.gz VRYLTHDGXIJADM-CQSZACIVSA-N -1 1 359.492 2.159 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000195126233 672776002 /nfs/dbraw/zinc/77/60/02/672776002.db2.gz RYNLUWYCSNLWIW-UHFFFAOYSA-N -1 1 369.809 2.280 20 0 FEADMM Cc1nn(C)c(Cl)c1CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195126233 672776006 /nfs/dbraw/zinc/77/60/06/672776006.db2.gz RYNLUWYCSNLWIW-UHFFFAOYSA-N -1 1 369.809 2.280 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(C2OCCO2)CC1 ZINC000195131150 672776416 /nfs/dbraw/zinc/77/64/16/672776416.db2.gz GEAPOBIZPCIFHH-UHFFFAOYSA-N -1 1 356.216 2.380 20 0 FEADMM C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195171356 672777666 /nfs/dbraw/zinc/77/76/66/672777666.db2.gz IMUANWUPJFZSEF-LLVKDONJSA-N -1 1 360.443 2.218 20 0 FEADMM C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195171356 672777668 /nfs/dbraw/zinc/77/76/68/672777668.db2.gz IMUANWUPJFZSEF-LLVKDONJSA-N -1 1 360.443 2.218 20 0 FEADMM C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195171356 672777670 /nfs/dbraw/zinc/77/76/70/672777670.db2.gz IMUANWUPJFZSEF-LLVKDONJSA-N -1 1 360.443 2.218 20 0 FEADMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000228562149 672797565 /nfs/dbraw/zinc/79/75/65/672797565.db2.gz XOIXXCPQLVOCQU-LLVKDONJSA-N -1 1 371.684 2.327 20 0 FEADMM O=S(=O)(Cc1nnc(C2CC2)o1)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000683683584 672865827 /nfs/dbraw/zinc/86/58/27/672865827.db2.gz FOJIJPJIWLZHDD-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM O=S(=O)(Cc1nnc(C2CC2)o1)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000683683584 672865833 /nfs/dbraw/zinc/86/58/33/672865833.db2.gz FOJIJPJIWLZHDD-UHFFFAOYSA-N -1 1 365.802 2.359 20 0 FEADMM O=S(=O)(Cc1ccccn1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000683685764 672866369 /nfs/dbraw/zinc/86/63/69/672866369.db2.gz FFWMHUQPHOBLNX-UHFFFAOYSA-N -1 1 364.814 2.406 20 0 FEADMM O=S(=O)(Cc1ccccn1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000683685764 672866376 /nfs/dbraw/zinc/86/63/76/672866376.db2.gz FFWMHUQPHOBLNX-UHFFFAOYSA-N -1 1 364.814 2.406 20 0 FEADMM CCc1noc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)n1 ZINC000683684237 672866483 /nfs/dbraw/zinc/86/64/83/672866483.db2.gz ZTNXDHRATDBVIM-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM CCc1noc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000683684237 672866487 /nfs/dbraw/zinc/86/64/87/672866487.db2.gz ZTNXDHRATDBVIM-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000255440746 672890857 /nfs/dbraw/zinc/89/08/57/672890857.db2.gz OZFKHMIEEPDUNS-YVMONPNESA-N -1 1 352.799 2.345 20 0 FEADMM C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(Br)c([O-])c1)CCO2 ZINC000684334267 672926472 /nfs/dbraw/zinc/92/64/72/672926472.db2.gz IOSKOYIPDLZTJO-MEBBXXQBSA-N -1 1 356.216 2.175 20 0 FEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000593633709 672965615 /nfs/dbraw/zinc/96/56/15/672965615.db2.gz OXLBDNYIKFFYFV-LLVKDONJSA-N -1 1 357.325 2.026 20 0 FEADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874797 672973142 /nfs/dbraw/zinc/97/31/42/672973142.db2.gz YIHZMZTUXAXABS-VIFPVBQESA-N -1 1 370.249 2.304 20 0 FEADMM COc1cc(NC(=O)c2ocnc2C2CC2)ccc1[N-]S(C)(=O)=O ZINC000685421115 673009518 /nfs/dbraw/zinc/00/95/18/673009518.db2.gz KAISROBEWIWJPY-UHFFFAOYSA-N -1 1 351.384 2.184 20 0 FEADMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1c(F)ccc([O-])c1F ZINC000685425558 673010168 /nfs/dbraw/zinc/01/01/68/673010168.db2.gz VMUGBMMXUIFMAR-LBPRGKRZSA-N -1 1 351.349 2.457 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1ccc(Cl)cc1Cl ZINC000685489595 673013214 /nfs/dbraw/zinc/01/32/14/673013214.db2.gz VTQOYSUTTHHHDS-UHFFFAOYSA-N -1 1 350.227 2.393 20 0 FEADMM CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000322806389 673042675 /nfs/dbraw/zinc/04/26/75/673042675.db2.gz SDWUYHXCXPIZQJ-NSHDSACASA-N -1 1 360.863 2.143 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cccc(F)c2C#N)c(C(=O)[O-])c1 ZINC000325380249 673049616 /nfs/dbraw/zinc/04/96/16/673049616.db2.gz NEXCUTLDSJSARO-UHFFFAOYSA-N -1 1 350.327 2.205 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCCC2CCC2)c(Br)n1C ZINC000711246447 673068590 /nfs/dbraw/zinc/06/85/90/673068590.db2.gz GLODTWKLXAURPJ-UHFFFAOYSA-N -1 1 350.282 2.350 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)c1F ZINC000594462830 673076692 /nfs/dbraw/zinc/07/66/92/673076692.db2.gz MQLJAUJFRODQJL-XLKFXECMSA-N -1 1 365.810 2.112 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000720482879 673080367 /nfs/dbraw/zinc/08/03/67/673080367.db2.gz LTVRXNHGGIJIOA-VIFPVBQESA-N -1 1 361.179 2.248 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1C(F)(F)F ZINC000612814811 676099343 /nfs/dbraw/zinc/09/93/43/676099343.db2.gz DYJNSSLXYMCZBH-SNVBAGLBSA-N -1 1 355.320 2.247 20 0 FEADMM COC(=O)c1cncc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)c1 ZINC000594721244 673123143 /nfs/dbraw/zinc/12/31/43/673123143.db2.gz PGOOLDDZQMKDSM-HNNXBMFYSA-N -1 1 356.444 2.205 20 0 FEADMM COc1cc(-c2noc([C@@H]3CCN(C)C3=O)n2)cc(Br)c1[O-] ZINC000350764256 673130888 /nfs/dbraw/zinc/13/08/88/673130888.db2.gz XZEDHLRMVFRLAY-QMMMGPOBSA-N -1 1 368.187 2.159 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](N2CCOCC2)C1 ZINC000382503970 673156898 /nfs/dbraw/zinc/15/68/98/673156898.db2.gz NGXUBJBMPFWXKK-CYBMUJFWSA-N -1 1 369.259 2.092 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc3c2OCCO3)c(F)c1 ZINC000728059235 673191856 /nfs/dbraw/zinc/19/18/56/673191856.db2.gz HRZLHLFUPHZJGX-UHFFFAOYSA-N -1 1 371.361 2.223 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)cc1C ZINC000595315358 673222322 /nfs/dbraw/zinc/22/23/22/673222322.db2.gz MGNHQBDOLLXXGL-CQSZACIVSA-N -1 1 367.423 2.167 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)cc1C ZINC000595319243 673223302 /nfs/dbraw/zinc/22/33/02/673223302.db2.gz ZMPQQHRTUBNCRX-LLVKDONJSA-N -1 1 371.386 2.260 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](O)C(C)C)o1 ZINC000595354640 673231339 /nfs/dbraw/zinc/23/13/39/673231339.db2.gz PYOUOEGXCHXHJF-JKSUJKDBSA-N -1 1 367.423 2.103 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000613209119 676117343 /nfs/dbraw/zinc/11/73/43/676117343.db2.gz YILINIZFIXWTTJ-ITGUQSILSA-N -1 1 352.456 2.407 20 0 FEADMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccccc2F)CCOCC1 ZINC000595400744 673243336 /nfs/dbraw/zinc/24/33/36/673243336.db2.gz JEDVQTYAASEFKF-UHFFFAOYSA-N -1 1 373.446 2.136 20 0 FEADMM Cc1cccc(CS(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCOCC2)c1 ZINC000595401427 673243340 /nfs/dbraw/zinc/24/33/40/673243340.db2.gz WUEGASOIEYRIDZ-UHFFFAOYSA-N -1 1 369.483 2.305 20 0 FEADMM CCc1cccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1CC ZINC000487603137 673325839 /nfs/dbraw/zinc/32/58/39/673325839.db2.gz GXRJTIRBVLVDNB-UHFFFAOYSA-N -1 1 360.487 2.430 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)cc1C(=O)[O-] ZINC000504254361 673338470 /nfs/dbraw/zinc/33/84/70/673338470.db2.gz SILQHQVEIXKVPX-UHFFFAOYSA-N -1 1 362.367 2.057 20 0 FEADMM O=[S@@](CC[N-]S(=O)(=O)c1cccc(F)c1F)Cc1ccccc1 ZINC000731849597 673344703 /nfs/dbraw/zinc/34/47/03/673344703.db2.gz IAOQCAUWAIPRCA-QFIPXVFZSA-N -1 1 359.419 2.192 20 0 FEADMM C[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1c(Cl)cccc1Cl ZINC000732091247 673353383 /nfs/dbraw/zinc/35/33/83/673353383.db2.gz WMWDWZWPIFVLPB-KWQFWETISA-N -1 1 356.213 2.210 20 0 FEADMM CCCn1nccc1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000613556461 676133705 /nfs/dbraw/zinc/13/37/05/676133705.db2.gz WSSNLJXMIDYRKB-ZDUSSCGKSA-N -1 1 363.784 2.118 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)o1 ZINC000537164932 673383288 /nfs/dbraw/zinc/38/32/88/673383288.db2.gz RVCKLGRWZFYLJU-UHFFFAOYSA-N -1 1 359.444 2.068 20 0 FEADMM COc1ccc(NC(=O)CCc2csc(C)n2)cc1[N-]S(C)(=O)=O ZINC000733129867 673399510 /nfs/dbraw/zinc/39/95/10/673399510.db2.gz SPPHBSZBYQLYOC-UHFFFAOYSA-N -1 1 369.468 2.403 20 0 FEADMM CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668266 676140470 /nfs/dbraw/zinc/14/04/70/676140470.db2.gz BLOSSKJLKQYCRW-UHFFFAOYSA-N -1 1 351.428 2.182 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C\c2ccccc2F)c1 ZINC000538605548 673447529 /nfs/dbraw/zinc/44/75/29/673447529.db2.gz LVODGOULCGFSQY-HYXAFXHYSA-N -1 1 350.371 2.221 20 0 FEADMM COc1cc(NC(=O)NC[C@@H]2CCO[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000538950481 673468093 /nfs/dbraw/zinc/46/80/93/673468093.db2.gz VBCFDAKWUTUCLR-NWDGAFQWSA-N -1 1 371.459 2.003 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1 ZINC000539237551 673480441 /nfs/dbraw/zinc/48/04/41/673480441.db2.gz AZWWLRAKYKYZAK-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(CC(C)(C)C)cs2)co1 ZINC000539579037 673496953 /nfs/dbraw/zinc/49/69/53/673496953.db2.gz XMKLRCJILYBVNL-UHFFFAOYSA-N -1 1 357.457 2.485 20 0 FEADMM Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])o1 ZINC000539975251 673516738 /nfs/dbraw/zinc/51/67/38/673516738.db2.gz UDXOBGNLYQPOQM-UHFFFAOYSA-N -1 1 364.423 2.259 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)nn1C(F)F ZINC000540250420 673531282 /nfs/dbraw/zinc/53/12/82/673531282.db2.gz HTQFNYPRJUNSJP-UHFFFAOYSA-N -1 1 362.333 2.350 20 0 FEADMM Cc1c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)sc2nccn12 ZINC000540252224 673531694 /nfs/dbraw/zinc/53/16/94/673531694.db2.gz HQIHNYPWIQIDTL-UHFFFAOYSA-N -1 1 368.415 2.467 20 0 FEADMM CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3c[n-]cn3)cc21 ZINC000736624981 673534763 /nfs/dbraw/zinc/53/47/63/673534763.db2.gz CKOIPQXUFIKNJT-UHFFFAOYSA-N -1 1 350.352 2.409 20 0 FEADMM O=C(c1cnc(Cc2ccccc2)s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540425462 673538951 /nfs/dbraw/zinc/53/89/51/673538951.db2.gz ZIKFXIYYTSYNDE-ZDUSSCGKSA-N -1 1 354.439 2.267 20 0 FEADMM CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000737066562 673549069 /nfs/dbraw/zinc/54/90/69/673549069.db2.gz BJOZEIDETDRLLJ-DOTOQJQBSA-N -1 1 368.499 2.338 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1cc(C)cc(C)c1)C1CC1 ZINC000599277941 673652551 /nfs/dbraw/zinc/65/25/51/673652551.db2.gz BAGQZKJQRZOOKO-IRXDYDNUSA-N -1 1 369.483 2.252 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)OC)C1CC1 ZINC000599294228 673654709 /nfs/dbraw/zinc/65/47/09/673654709.db2.gz DKWHQKUZZCHJJD-JKSUJKDBSA-N -1 1 361.504 2.233 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COc3cccc(C)c3C2)o1 ZINC000599375631 673665917 /nfs/dbraw/zinc/66/59/17/673665917.db2.gz OSJUWUREIQBEMQ-LBPRGKRZSA-N -1 1 365.407 2.047 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)cc2OC)o1 ZINC000599425334 673674320 /nfs/dbraw/zinc/67/43/20/673674320.db2.gz AXLWDTGRHVNUHB-JTQLQIEISA-N -1 1 369.395 2.123 20 0 FEADMM COC(=O)COCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000599443255 673676018 /nfs/dbraw/zinc/67/60/18/673676018.db2.gz KXKHEPKFFKSYPY-UHFFFAOYSA-N -1 1 363.844 2.023 20 0 FEADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC(F)C1 ZINC000544310664 673704371 /nfs/dbraw/zinc/70/43/71/673704371.db2.gz DXTQNIXOMBKMJW-UHFFFAOYSA-N -1 1 366.389 2.349 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1ccc(Br)o1 ZINC000546061478 673790019 /nfs/dbraw/zinc/79/00/19/673790019.db2.gz PIIVNBUGCKGGEW-JTQLQIEISA-N -1 1 352.250 2.262 20 0 FEADMM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cc(=O)n2[n-]cnc2n1 ZINC000546081753 673790934 /nfs/dbraw/zinc/79/09/34/673790934.db2.gz UXWGIFAWVVIMQF-JTQLQIEISA-N -1 1 361.814 2.038 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000600701726 673792808 /nfs/dbraw/zinc/79/28/08/673792808.db2.gz MWTJLYOYXGASHN-JIMOISOXSA-N -1 1 350.415 2.032 20 0 FEADMM O=C(CNC(=O)c1ccc(Br)cc1[O-])NCc1ccccc1 ZINC000744322476 673793188 /nfs/dbraw/zinc/79/31/88/673793188.db2.gz YRSLFQCYYJKUQO-UHFFFAOYSA-N -1 1 363.211 2.201 20 0 FEADMM COc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc(Cl)c1[O-] ZINC000546593595 673804973 /nfs/dbraw/zinc/80/49/73/673804973.db2.gz NBVXRVADRJLNBB-UHFFFAOYSA-N -1 1 359.773 2.497 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCS(=O)(=O)CC(C)C)c1 ZINC000744780242 673810612 /nfs/dbraw/zinc/81/06/12/673810612.db2.gz FAWJDTXZXMDRHP-UHFFFAOYSA-N -1 1 356.440 2.141 20 0 FEADMM COC1CCC(Cc2noc(C[N-]S(=O)(=O)c3cccs3)n2)CC1 ZINC000547250459 673838174 /nfs/dbraw/zinc/83/81/74/673838174.db2.gz WETSOBFILURKOT-UHFFFAOYSA-N -1 1 371.484 2.357 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)o1 ZINC000601517541 673875745 /nfs/dbraw/zinc/87/57/45/673875745.db2.gz MADGUDJEGKRCLV-CQSZACIVSA-N -1 1 371.455 2.474 20 0 FEADMM O=C([N-]OCc1cccnc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000746528285 673882858 /nfs/dbraw/zinc/88/28/58/673882858.db2.gz IVAMIEUHIUDIDM-HNNXBMFYSA-N -1 1 359.813 2.332 20 0 FEADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 ZINC000614880455 676195312 /nfs/dbraw/zinc/19/53/12/676195312.db2.gz YDEUXAHTUVGRBU-UHFFFAOYSA-N -1 1 363.395 2.001 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCCNC(=O)OC(C)(C)C ZINC000747396576 673926163 /nfs/dbraw/zinc/92/61/63/673926163.db2.gz 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ZINC000819876529 675318061 /nfs/dbraw/zinc/31/80/61/675318061.db2.gz WSINVGOBHYHNRF-HNNXBMFYSA-N -1 1 357.378 2.294 20 0 FEADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCN(c2ncns2)CC1 ZINC000615797077 676229160 /nfs/dbraw/zinc/22/91/60/676229160.db2.gz MRLJGYWXVXHJLR-UHFFFAOYSA-N -1 1 358.345 2.225 20 0 FEADMM COc1ccc2nc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)ccc2c1 ZINC000821854451 675456625 /nfs/dbraw/zinc/45/66/25/675456625.db2.gz JYSHWYSFESQZNF-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM COc1ccc2nc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)ccc2c1 ZINC000821854451 675456627 /nfs/dbraw/zinc/45/66/27/675456627.db2.gz JYSHWYSFESQZNF-UHFFFAOYSA-N -1 1 353.367 2.132 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C1(C)C ZINC000656952091 677884188 /nfs/dbraw/zinc/88/41/88/677884188.db2.gz BEJQPFRQAHUGMN-JMJZKYOTSA-N -1 1 363.277 2.182 20 0 FEADMM Cn1cnnc1[C@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000824832093 675624468 /nfs/dbraw/zinc/62/44/68/675624468.db2.gz QICFXKCRODFFQZ-JTQLQIEISA-N -1 1 365.167 2.064 20 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C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)co1 ZINC000619099955 676363633 /nfs/dbraw/zinc/36/36/33/676363633.db2.gz ATKMEZUCWVZLDM-OLZOCXBDSA-N -1 1 370.471 2.044 20 0 FEADMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000619183099 676366317 /nfs/dbraw/zinc/36/63/17/676366317.db2.gz PIRKDHIWUVLAEO-CQSZACIVSA-N -1 1 360.501 2.383 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1 ZINC000619855978 676397424 /nfs/dbraw/zinc/39/74/24/676397424.db2.gz CJBZGSZIDNIULQ-UHFFFAOYSA-N -1 1 361.423 2.248 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000620801349 676430646 /nfs/dbraw/zinc/43/06/46/676430646.db2.gz YIPBSJDUYZFMRI-VXNVDRBHSA-N -1 1 365.377 2.394 20 0 FEADMM CCSc1ccc(CC(=O)Nc2nc3nc(CC)cc(=O)n3[n-]2)cc1 ZINC000622994007 676514627 /nfs/dbraw/zinc/51/46/27/676514627.db2.gz AWELNUBKAFTLMC-UHFFFAOYSA-N -1 1 357.439 2.273 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3csc4c3CC[C@H](C)C4)nc2n1 ZINC000622995521 676514718 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FEADMM CCN1CCN(CC(C)(C)NC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000837136107 680558103 /nfs/dbraw/zinc/55/81/03/680558103.db2.gz XSYPCKSHQSMDDR-UHFFFAOYSA-N -1 1 362.499 2.262 20 0 FEADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(=O)c1ccco1 ZINC000837422747 680601057 /nfs/dbraw/zinc/60/10/57/680601057.db2.gz AGQXXTLGXANHJE-SNVBAGLBSA-N -1 1 369.395 2.378 20 0 FEADMM O=S(=O)([N-]C[C@H](O)c1ccccc1F)c1ccc(Br)o1 ZINC000759046603 680623232 /nfs/dbraw/zinc/62/32/32/680623232.db2.gz BNPXLFDGPJCYOQ-JTQLQIEISA-N -1 1 364.192 2.193 20 0 FEADMM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000759046412 680623413 /nfs/dbraw/zinc/62/34/13/680623413.db2.gz SIDLMPCHLAMVAH-PWSUYJOCSA-N -1 1 374.256 2.485 20 0 FEADMM CC[C@@H](SC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001007355805 680636331 /nfs/dbraw/zinc/63/63/31/680636331.db2.gz DKHRCFVWPDOEGY-WRSAYESZSA-N -1 1 363.483 2.040 20 0 FEADMM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1cccs1)C2)c1ncccc1[O-] ZINC001007356756 680636480 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COCc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 ZINC000766586448 680882272 /nfs/dbraw/zinc/88/22/72/680882272.db2.gz RXLMMZLFTCDJRT-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCSC2)c(F)cc1Cl ZINC000841497496 680887749 /nfs/dbraw/zinc/88/77/49/680887749.db2.gz YAZGESKRTQYWHA-QMMMGPOBSA-N -1 1 367.851 2.440 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)OC)c(F)cc1Cl ZINC000841518157 680890498 /nfs/dbraw/zinc/89/04/98/680890498.db2.gz JRGOBVCLQUHUOI-IUCAKERBSA-N -1 1 367.826 2.358 20 0 FEADMM CC[C@](COC)([N-]S(=O)(=O)/C=C/c1ccccc1Cl)C(=O)OC ZINC000841530478 680892822 /nfs/dbraw/zinc/89/28/22/680892822.db2.gz KEZXXEZDIOOVDE-BOLDSZDNSA-N -1 1 361.847 2.198 20 0 FEADMM CC[C@](COC)([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)OC ZINC000841532702 680893294 /nfs/dbraw/zinc/89/32/94/680893294.db2.gz XKQOPTKVGXKLIK-FJVVXJACSA-N -1 1 361.847 2.198 20 0 FEADMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000841535547 680893772 /nfs/dbraw/zinc/89/37/72/680893772.db2.gz SAOUZVMGYBIULC-LLVKDONJSA-N -1 1 352.239 2.364 20 0 FEADMM Cc1ccc(-n2nnnc2SCCC[N-]C(=O)C(F)(F)F)c(C)c1 ZINC000768497933 680948378 /nfs/dbraw/zinc/94/83/78/680948378.db2.gz DAIAMWXBRSOXBL-UHFFFAOYSA-N -1 1 359.377 2.440 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nc([C@@H]3CCCN3)no2)c1)C(F)(F)F ZINC000842641278 680956537 /nfs/dbraw/zinc/95/65/37/680956537.db2.gz ZUHVRQYRECACFH-JTQLQIEISA-N -1 1 362.333 2.423 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CCO)c2cccs2)c(=O)[n-]1 ZINC000768865206 680962219 /nfs/dbraw/zinc/96/22/19/680962219.db2.gz DGDDLUQAUILCTL-GFCCVEGCSA-N -1 1 367.496 2.447 20 0 FEADMM COC(=O)c1cc(F)c([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c(F)c1 ZINC000842805745 680968247 /nfs/dbraw/zinc/96/82/47/680968247.db2.gz FDZZHBPOWJFJNG-GFCCVEGCSA-N -1 1 351.371 2.164 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000769345587 680979071 /nfs/dbraw/zinc/97/90/71/680979071.db2.gz KRNRDKRQGCPOJC-BBRMVZONSA-N -1 1 365.407 2.122 20 0 FEADMM CC[C@H](Cc1ccccc1C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843015703 680982124 /nfs/dbraw/zinc/98/21/24/680982124.db2.gz VQCQLSQQVLIQGK-MRXNPFEDSA-N -1 1 366.527 2.494 20 0 FEADMM CSc1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)ccc1F ZINC000843015788 680982166 /nfs/dbraw/zinc/98/21/66/680982166.db2.gz ILCCCKJVENRMNO-UHFFFAOYSA-N -1 1 360.476 2.092 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)CCC1 ZINC000843017592 680982626 /nfs/dbraw/zinc/98/26/26/680982626.db2.gz FTIAPHPOWVQLRU-WDZFZDKYSA-N -1 1 350.484 2.410 20 0 FEADMM C[C@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018002 680982639 /nfs/dbraw/zinc/98/26/39/680982639.db2.gz KSAUOGPFHFTFLV-CQSZACIVSA-N -1 1 370.540 2.345 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCc2ccc(Cl)cc2)CCC1 ZINC000843017853 680982731 /nfs/dbraw/zinc/98/27/31/680982731.db2.gz KPZNKCRQQZDGHU-UHFFFAOYSA-N -1 1 358.891 2.203 20 0 FEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019577 680983223 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CC[C@H](C(=O)Nc1nc(Br)ccc1[O-])N1CCO[C@@H](CC)C1 ZINC000774096546 681168535 /nfs/dbraw/zinc/16/85/35/681168535.db2.gz OIMMJQBDAHSCTO-WDEREUQCSA-N -1 1 372.263 2.378 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2(CC(=O)OC(C)(C)C)CCC2)c1Cl ZINC000845982122 681169236 /nfs/dbraw/zinc/16/92/36/681169236.db2.gz GMMDCKAHUSAQNW-UHFFFAOYSA-N -1 1 363.867 2.006 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC)cc2)cc1 ZINC000774618206 681211291 /nfs/dbraw/zinc/21/12/91/681211291.db2.gz KQTRGUSIVNKUSH-UHFFFAOYSA-N -1 1 364.423 2.490 20 0 FEADMM C[C@@H](C[C@@H]1CCOC1)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000774733349 681227373 /nfs/dbraw/zinc/22/73/73/681227373.db2.gz DCZDQLUQUWFSDA-RYUDHWBXSA-N -1 1 359.444 2.328 20 0 FEADMM O=C([N-]CCCOC(=O)c1cc(=O)[nH]c2ccc(F)cc21)C(F)(F)F ZINC000774962911 681257713 /nfs/dbraw/zinc/25/77/13/681257713.db2.gz VOWISCOICHBOQY-UHFFFAOYSA-N -1 1 360.263 2.305 20 0 FEADMM O=C([N-]CCCOC(=O)c1ncccc1OCC(F)(F)F)C(F)(F)F ZINC000774967783 681258040 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/nfs/dbraw/zinc/40/61/26/681406126.db2.gz COMVIXGGXOSEKB-NSHDSACASA-N -1 1 368.260 2.201 20 0 FEADMM Cn1c(=O)c2ccc(C(=O)OCc3cc(C4CC4)[nH]n3)cc2[n-]c1=S ZINC000848015600 681461678 /nfs/dbraw/zinc/46/16/78/681461678.db2.gz BAVXHPFBRJHYPI-UHFFFAOYSA-N -1 1 356.407 2.180 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc(Cl)c1[O-] ZINC000848367075 681531102 /nfs/dbraw/zinc/53/11/02/681531102.db2.gz CCTDHHJHVPTKSM-LLVKDONJSA-N -1 1 354.790 2.157 20 0 FEADMM CCOC(=O)c1ncc(CN2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)s1 ZINC000934269704 681540557 /nfs/dbraw/zinc/54/05/57/681540557.db2.gz KFBFGWURXRNTAB-NSHDSACASA-N -1 1 364.427 2.161 20 0 FEADMM COc1cnc([C@@H]2CCCN2Cc2c(Br)cnn2C)[n-]c1=O ZINC000934268883 681541040 /nfs/dbraw/zinc/54/10/40/681541040.db2.gz BUYNHVVHFCBQMY-JTQLQIEISA-N -1 1 368.235 2.024 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)c1F ZINC000848451244 681546894 /nfs/dbraw/zinc/54/68/94/681546894.db2.gz BAAUXJMGUZJLBX-JTQLQIEISA-N -1 1 363.794 2.237 20 0 FEADMM CSCC[C@H](NC(=O)COc1ccc2ccccc2c1)c1nn[n-]n1 ZINC000912859645 685457740 /nfs/dbraw/zinc/45/77/40/685457740.db2.gz BCGPZCJHLQWOIY-HNNXBMFYSA-N -1 1 357.439 2.342 20 0 FEADMM CSCC[C@H](NC(=O)c1ccc(F)cc1Br)c1nn[n-]n1 ZINC000912860112 685458158 /nfs/dbraw/zinc/45/81/58/685458158.db2.gz NQQBNGQACRUKJF-JTQLQIEISA-N -1 1 374.239 2.326 20 0 FEADMM CSCC[C@H](NC(=O)c1cccc(Br)c1)c1nn[n-]n1 ZINC000912860639 685459527 /nfs/dbraw/zinc/45/95/27/685459527.db2.gz ZOEIRDKPXUDTHP-JTQLQIEISA-N -1 1 356.249 2.186 20 0 FEADMM CSCC[C@H](NC(=O)CCc1cnc2ccccc2c1)c1nn[n-]n1 ZINC000912862342 685461373 /nfs/dbraw/zinc/46/13/73/685461373.db2.gz NFKVQVWSHMLZPB-HNNXBMFYSA-N -1 1 356.455 2.291 20 0 FEADMM CSCC[C@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1nn[n-]n1 ZINC000912862905 685461573 /nfs/dbraw/zinc/46/15/73/685461573.db2.gz ZSLRJCUHSGJTCF-FZMZJTMJSA-N -1 1 358.471 2.406 20 0 FEADMM CSCC[C@H](NC(=O)c1sc(CC2CC2)nc1C)c1nn[n-]n1 ZINC000912862207 685461613 /nfs/dbraw/zinc/46/16/13/685461613.db2.gz LFSXGNIEYHXICN-JTQLQIEISA-N -1 1 352.489 2.141 20 0 FEADMM C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000949797158 681657292 /nfs/dbraw/zinc/65/72/92/681657292.db2.gz GTTDWIYLEMFEFJ-MWLCHTKSSA-N -1 1 365.842 2.393 20 0 FEADMM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000849380366 681704183 /nfs/dbraw/zinc/70/41/83/681704183.db2.gz XGULMBOMGUSNOJ-IUCAKERBSA-N -1 1 351.291 2.407 20 0 FEADMM Cc1ncc(CC[N-]S(=O)(=O)c2ncccc2Br)s1 ZINC000849384433 681706504 /nfs/dbraw/zinc/70/65/04/681706504.db2.gz RLXWITCIKRCZTO-UHFFFAOYSA-N -1 1 362.274 2.130 20 0 FEADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cccc(F)c1[O-] ZINC000913158899 685473151 /nfs/dbraw/zinc/47/31/51/685473151.db2.gz LHJOAOOZKNESJP-BTDLBPIBSA-N -1 1 354.378 2.230 20 0 FEADMM Cc1c2cc(Br)cc(C)c2oc1C(=O)[N-]N1CN=NC1=O ZINC000779400809 681713557 /nfs/dbraw/zinc/71/35/57/681713557.db2.gz WZMJANRXICVVAS-UHFFFAOYSA-N -1 1 351.160 2.493 20 0 FEADMM O=[S@@](CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)CC(F)(F)F ZINC000849420280 681726648 /nfs/dbraw/zinc/72/66/48/681726648.db2.gz OTVKCZPZOCHPNU-QFIPXVFZSA-N -1 1 373.349 2.161 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)c1Cl ZINC000849443568 681737143 /nfs/dbraw/zinc/73/71/43/681737143.db2.gz ACNVFMBJZAODHG-UHFFFAOYSA-N -1 1 359.810 2.232 20 0 FEADMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c1 ZINC000849461154 681747604 /nfs/dbraw/zinc/74/76/04/681747604.db2.gz OBWRJJJGNRTVBH-CYBMUJFWSA-N -1 1 351.346 2.326 20 0 FEADMM O=C(Cc1csc2ccc(Cl)cc12)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495394 685478630 /nfs/dbraw/zinc/47/86/30/685478630.db2.gz JNXHDJSLYHCMKZ-GFCCVEGCSA-N -1 1 363.830 2.210 20 0 FEADMM C[C@@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000913495958 685478639 /nfs/dbraw/zinc/47/86/39/685478639.db2.gz QANYNEJESCGVRI-PELKAZGASA-N -1 1 356.213 2.210 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495100 685478680 /nfs/dbraw/zinc/47/86/80/685478680.db2.gz RFFRLPDUMZWXGR-ZANVPECISA-N -1 1 370.240 2.285 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495099 685478715 /nfs/dbraw/zinc/47/87/15/685478715.db2.gz RFFRLPDUMZWXGR-TVQRCGJNSA-N -1 1 370.240 2.285 20 0 FEADMM O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913497032 685478789 /nfs/dbraw/zinc/47/87/89/685478789.db2.gz HCEYCJYPLSVGGW-ZKYQVNSYSA-N -1 1 365.796 2.086 20 0 FEADMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)ccc1Br ZINC000913744067 685483980 /nfs/dbraw/zinc/48/39/80/685483980.db2.gz YWJBPSPOARTCMP-UHFFFAOYSA-N -1 1 350.220 2.290 20 0 FEADMM CCc1nc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)[n-]c(=O)c1C ZINC000849920622 681823768 /nfs/dbraw/zinc/82/37/68/681823768.db2.gz CVTRTPAZBWRFOS-QMMMGPOBSA-N -1 1 366.468 2.333 20 0 FEADMM Cc1nc(SC(F)F)sc1CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744779 685484094 /nfs/dbraw/zinc/48/40/94/685484094.db2.gz DJXJIYRCNFJETK-UHFFFAOYSA-N -1 1 374.442 2.228 20 0 FEADMM O=C(Cc1cccc(C(F)(F)F)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000935828950 681831370 /nfs/dbraw/zinc/83/13/70/681831370.db2.gz CLTUPYDNNABPHM-UHFFFAOYSA-N -1 1 356.304 2.138 20 0 FEADMM CN(CCNC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccc(F)cc1 ZINC000780632160 681855247 /nfs/dbraw/zinc/85/52/47/681855247.db2.gz IXWIYALDJRPDDM-UHFFFAOYSA-N -1 1 351.422 2.344 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C2)c(Br)o1 ZINC000780913814 681885895 /nfs/dbraw/zinc/88/58/95/681885895.db2.gz PJYFDTCUSGJJLB-HTQZYQBOSA-N -1 1 366.233 2.296 20 0 FEADMM C[C@@]1(c2cccc(C(=O)Nc3ccc([O-])c(Cl)c3)c2)NC(=O)NC1=O ZINC000780991726 681893764 /nfs/dbraw/zinc/89/37/64/681893764.db2.gz LBWLNBPXSHOWFL-KRWDZBQOSA-N -1 1 359.769 2.353 20 0 FEADMM O=C([N-][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)C(F)(F)C(F)F ZINC000781048316 681898162 /nfs/dbraw/zinc/89/81/62/681898162.db2.gz JTHUXKONWIFHBA-JTQLQIEISA-N -1 1 360.286 2.416 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)ccc2s1 ZINC000781120676 681903274 /nfs/dbraw/zinc/90/32/74/681903274.db2.gz REPXRIXBGCVTFQ-UHFFFAOYSA-N -1 1 372.435 2.381 20 0 FEADMM O=C(COC(=O)c1c[nH]nc1-c1ccsc1)[N-]C(=O)c1ccccc1 ZINC000781318001 681921976 /nfs/dbraw/zinc/92/19/76/681921976.db2.gz CCSBNDSLJCNOHT-UHFFFAOYSA-N -1 1 355.375 2.252 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)Cc2ccsc2Br)o1 ZINC000914248131 685500715 /nfs/dbraw/zinc/50/07/15/685500715.db2.gz OYLRBPCCKTXSNM-ZCFIWIBFSA-N -1 1 366.262 2.383 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000915127864 685512420 /nfs/dbraw/zinc/51/24/20/685512420.db2.gz ONDQAVOXOZTBDF-VXGBXAGGSA-N -1 1 357.476 2.264 20 0 FEADMM O=S(=O)(NN=c1c(F)c(F)[n-]c(F)c1F)c1ccc(F)cc1F ZINC000916102716 685521290 /nfs/dbraw/zinc/52/12/90/685521290.db2.gz ICJASCMQCHNZHN-UHFFFAOYSA-N -1 1 357.235 2.222 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(F)ccc2OC(F)F)c1Cl ZINC000851847695 682160790 /nfs/dbraw/zinc/16/07/90/682160790.db2.gz GAOBDTRXEVAYBD-UHFFFAOYSA-N -1 1 369.752 2.293 20 0 FEADMM O=C(CCCn1ccccc1=O)Nc1nc(Br)ccc1[O-] ZINC000783911282 682186109 /nfs/dbraw/zinc/18/61/09/682186109.db2.gz NXLWGGMNVKBSMK-UHFFFAOYSA-N -1 1 352.188 2.130 20 0 FEADMM Cc1cc2ncc(C(=O)Nc3nc(Br)ccc3[O-])c(C)n2n1 ZINC000783910580 682186143 /nfs/dbraw/zinc/18/61/43/682186143.db2.gz JSGJFSLIKQNNKP-UHFFFAOYSA-N -1 1 362.187 2.462 20 0 FEADMM CCOC(=O)N[C@@H](C(=O)Nc1nc(Br)ccc1[O-])C(C)C ZINC000783914420 682186297 /nfs/dbraw/zinc/18/62/97/682186297.db2.gz SOACAHKFSUODNQ-SNVBAGLBSA-N -1 1 360.208 2.259 20 0 FEADMM O=c1cc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2cc(Cl)c([O-])cc2o1 ZINC000852497924 682290683 /nfs/dbraw/zinc/29/06/83/682290683.db2.gz XVGNRLIRZMEBED-YGRLFVJLSA-N -1 1 362.813 2.253 20 0 FEADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)O1 ZINC000852580869 682304389 /nfs/dbraw/zinc/30/43/89/682304389.db2.gz PXXDYNVFPGCUNM-YPMHNXCESA-N -1 1 365.396 2.044 20 0 FEADMM C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)O1 ZINC000852581662 682304538 /nfs/dbraw/zinc/30/45/38/682304538.db2.gz MWIAAKBYTGHQCN-LPWJVIDDSA-N -1 1 365.396 2.043 20 0 FEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1=COCCO1 ZINC000918570530 685540252 /nfs/dbraw/zinc/54/02/52/685540252.db2.gz WOGMSNBDGDQFFN-UHFFFAOYSA-N -1 1 360.391 2.314 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1C ZINC000918726038 685541536 /nfs/dbraw/zinc/54/15/36/685541536.db2.gz HPNAKBGOEUCWLZ-UHFFFAOYSA-N -1 1 360.391 2.425 20 0 FEADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccccc1Cl ZINC000852738297 682333453 /nfs/dbraw/zinc/33/34/53/682333453.db2.gz YAYJHVYSUVXBIB-VXGBXAGGSA-N -1 1 364.751 2.436 20 0 FEADMM COC(=O)c1ccccc1CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757055 682336443 /nfs/dbraw/zinc/33/64/43/682336443.db2.gz IFONRJWNUQUKAE-RISCZKNCSA-N -1 1 358.360 2.362 20 0 FEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cnc2ccccc2c1 ZINC000786126002 682352164 /nfs/dbraw/zinc/35/21/64/682352164.db2.gz MWPGVSGQTOZESB-UHFFFAOYSA-N -1 1 361.379 2.211 20 0 FEADMM C[C@@H]1CCN(Cn2nc3ccccn3c2=S)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853622023 682446872 /nfs/dbraw/zinc/44/68/72/682446872.db2.gz PQTIDHZPDGLIBC-MNOVXSKESA-N -1 1 373.404 2.212 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(c2nccnc2OC2CCC2)C1)C(F)(F)F ZINC000853637020 682450293 /nfs/dbraw/zinc/45/02/93/682450293.db2.gz MBKCYFFJNNZYEA-NSHDSACASA-N -1 1 358.364 2.303 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H](C)O)c2)cc1 ZINC000787574447 682465843 /nfs/dbraw/zinc/46/58/43/682465843.db2.gz UVZDMNVEQOXIBW-LBPRGKRZSA-N -1 1 365.407 2.034 20 0 FEADMM COC(=O)c1cnccc1[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000788090472 682503104 /nfs/dbraw/zinc/50/31/04/682503104.db2.gz MWSNRRAEUXBVPF-CLFYSBASSA-N -1 1 352.799 2.356 20 0 FEADMM O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788150265 682507543 /nfs/dbraw/zinc/50/75/43/682507543.db2.gz UAHVBAJXIPFIPJ-JTQLQIEISA-N -1 1 361.324 2.288 20 0 FEADMM COC(=O)c1sc(S(=O)(=O)[N-]c2ccncc2F)c(C)c1Cl ZINC000788549771 682538407 /nfs/dbraw/zinc/53/84/07/682538407.db2.gz UQQFCRIGEUBKAK-UHFFFAOYSA-N -1 1 364.807 2.253 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc(OC)cc1)c1cccs1 ZINC000788619173 682543429 /nfs/dbraw/zinc/54/34/29/682543429.db2.gz MQDJHEOBTVQHJZ-HNNXBMFYSA-N -1 1 369.464 2.133 20 0 FEADMM COC(=O)[C@@H](CF)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854475048 682555830 /nfs/dbraw/zinc/55/58/30/682555830.db2.gz QFOCOIVLAFTYDG-SECBINFHSA-N -1 1 354.122 2.168 20 0 FEADMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000788916673 682566254 /nfs/dbraw/zinc/56/62/54/682566254.db2.gz IPCXUZRAYDTMLD-UHFFFAOYSA-N -1 1 355.803 2.307 20 0 FEADMM C[C@H]1COCCN1C1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000854569946 682566325 /nfs/dbraw/zinc/56/63/25/682566325.db2.gz MIGJMSQASFFBKX-LBPRGKRZSA-N -1 1 361.467 2.442 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(C(F)(F)F)s2)co1 ZINC000789673783 682625152 /nfs/dbraw/zinc/62/51/52/682625152.db2.gz SJDDGKQBQQZLBR-UHFFFAOYSA-N -1 1 370.330 2.020 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC2=C(CCC(=O)N2)C1 ZINC000855153273 682633247 /nfs/dbraw/zinc/63/32/47/682633247.db2.gz 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CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C1=Cc3ccccc3OC1)CCO2 ZINC000908018504 691599562 /nfs/dbraw/zinc/59/95/62/691599562.db2.gz HKXCENIGLZZGDF-MSOLQXFVSA-N -1 1 365.451 2.415 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)CCO2 ZINC000908018507 691599674 /nfs/dbraw/zinc/59/96/74/691599674.db2.gz HNCDUAICMNZLGW-KURKYZTESA-N -1 1 369.483 2.369 20 0 FEADMM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000908024140 691601050 /nfs/dbraw/zinc/60/10/50/691601050.db2.gz HRBFMSAHDIBCHO-LLVKDONJSA-N -1 1 366.414 2.119 20 0 FEADMM O=S(=O)([N-][C@@H]1CCOC12CCOCC2)c1c(Cl)ccnc1Cl ZINC000908203143 691636719 /nfs/dbraw/zinc/63/67/19/691636719.db2.gz TVOJGWFSBUADCT-SNVBAGLBSA-N -1 1 367.254 2.005 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)c1C(F)(F)F ZINC000908389183 691671229 /nfs/dbraw/zinc/67/12/29/691671229.db2.gz QQBPYDWLOYSDGE-LBPRGKRZSA-N -1 1 360.361 2.264 20 0 FEADMM O=C(NCCc1cc(C(F)(F)F)ccn1)c1cnc(C2CC2)[n-]c1=O ZINC000908412762 691675287 /nfs/dbraw/zinc/67/52/87/691675287.db2.gz GPSABPRKSWLSBY-UHFFFAOYSA-N -1 1 352.316 2.446 20 0 FEADMM COC(=O)C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000908471115 691685772 /nfs/dbraw/zinc/68/57/72/691685772.db2.gz TVAHCPKRDWMBRE-BDAKNGLRSA-N -1 1 366.233 2.052 20 0 FEADMM COc1cnc([C@@H]2CCCN2c2nnc([C@@H]3CCCS3)n2C)[n-]c1=O ZINC000908578881 691701349 /nfs/dbraw/zinc/70/13/49/691701349.db2.gz MGYYLGOLZXHOEC-JQWIXIFHSA-N -1 1 362.459 2.229 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(Br)cc2F)C1 ZINC000908725864 691719123 /nfs/dbraw/zinc/71/91/23/691719123.db2.gz APJKRTHIYASZQZ-NSHDSACASA-N -1 1 373.222 2.001 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NCCN1CCc2ccccc2C1)c1cccs1 ZINC000908808912 691733274 /nfs/dbraw/zinc/73/32/74/691733274.db2.gz LHGOKPAVUMEZCW-INIZCTEOSA-N -1 1 359.451 2.231 20 0 FEADMM C[C@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)Oc1ccc(Cl)cc1 ZINC000908824066 691736295 /nfs/dbraw/zinc/73/62/95/691736295.db2.gz ARNPVIVEVDBVTJ-OLZOCXBDSA-N -1 1 354.834 2.020 20 0 FEADMM CC[C@](COC)(NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909123798 691781865 /nfs/dbraw/zinc/78/18/65/691781865.db2.gz ZTAGIGPMRIXPLA-RHSMWYFYSA-N -1 1 371.865 2.122 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909123411 691781890 /nfs/dbraw/zinc/78/18/90/691781890.db2.gz VXEPFXQFMHFTSE-XJKSGUPXSA-N -1 1 359.829 2.445 20 0 FEADMM CSC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909123999 691781912 /nfs/dbraw/zinc/78/19/12/691781912.db2.gz JDVIGCYJESNEGK-STQMWFEESA-N -1 1 359.879 2.058 20 0 FEADMM C[C@]1(NC(=O)C2CCC(N3CCOCC3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000909529843 691831500 /nfs/dbraw/zinc/83/15/00/691831500.db2.gz FQMDMSWRDZTJIQ-FCJNSDPXSA-N -1 1 352.475 2.027 20 0 FEADMM O=C(C[C@@H]1CC(=O)Nc2ccccc21)OCCC[N-]C(=O)C(F)(F)F ZINC000909631298 691841360 /nfs/dbraw/zinc/84/13/60/691841360.db2.gz JKLVJMHMYLRPIO-JTQLQIEISA-N -1 1 358.316 2.114 20 0 FEADMM CC1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000909954427 691876459 /nfs/dbraw/zinc/87/64/59/691876459.db2.gz NKVJFRVIODBUSV-HNNXBMFYSA-N -1 1 369.259 2.423 20 0 FEADMM COCCN(CC(=O)Nc1cc([O-])c(F)cc1F)C(=O)OC(C)(C)C ZINC000909980739 691878085 /nfs/dbraw/zinc/87/80/85/691878085.db2.gz DYAVBCCHNUGFJT-UHFFFAOYSA-N -1 1 360.357 2.492 20 0 FEADMM CN(C(=O)c1cc(Br)cc2[nH]cnc21)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909990669 691879236 /nfs/dbraw/zinc/87/92/36/691879236.db2.gz MJDMHWOVKXFSRH-OTSSQURYSA-N -1 1 352.188 2.261 20 0 FEADMM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1n[nH]c3ccc(Br)cc31)C2 ZINC000910339929 691918355 /nfs/dbraw/zinc/91/83/55/691918355.db2.gz KHNFOIAVFKVMMK-SDRGUPOISA-N -1 1 364.199 2.309 20 0 FEADMM Cc1cc(C)cc(-c2cc(NC(=O)CNC(=O)c3ncccc3[O-])n[nH]2)c1 ZINC000486196053 887886562 /nfs/dbraw/zinc/88/65/62/887886562.db2.gz QBLBKVMDMOJCIH-UHFFFAOYSA-N -1 1 365.393 2.163 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cc(COC)ncn3)c2)n1 ZINC000515279373 888930495 /nfs/dbraw/zinc/93/04/95/888930495.db2.gz AMXHHVUIRAGDKP-UHFFFAOYSA-N -1 1 368.397 2.197 20 0 FEADMM C[C@H]1CC[C@@](NC(=O)NC2CCN(Cc3ccncc3)CC2)(C(=O)[O-])CC1 ZINC000908800480 939322760 /nfs/dbraw/zinc/32/27/60/939322760.db2.gz UDJYKWLAGCHJDW-SGNKCFNYSA-N -1 1 374.485 2.379 20 0 FEADMM Cc1cc(C)cc([C@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])c1 ZINC000909795297 939734007 /nfs/dbraw/zinc/73/40/07/939734007.db2.gz XLAYPVYVPJDYSP-KVZIAJEVSA-N -1 1 374.481 2.436 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN(C)CCc2ccccc2)C(=O)[O-])cc1F ZINC000909795647 939734268 /nfs/dbraw/zinc/73/42/68/939734268.db2.gz HYDJBLQAWZOUJD-LJQANCHMSA-N -1 1 374.412 2.251 20 0 FEADMM O=C([O-])[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1cccc(C(F)(F)F)c1 ZINC000910379245 939755358 /nfs/dbraw/zinc/75/53/58/939755358.db2.gz AWNMXDSUVADYPJ-QMTHXVAHSA-N -1 1 367.327 2.476 20 0 FEADMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)CO2 ZINC000549377582 674037857 /nfs/dbraw/zinc/03/78/57/674037857.db2.gz MAMCPRYCOAOSMA-SNVBAGLBSA-N -1 1 361.345 2.159 20 0 FEADMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1(C)C ZINC000549405952 674039780 /nfs/dbraw/zinc/03/97/80/674039780.db2.gz SDNPLPAIVFTKGB-MNOVXSKESA-N -1 1 369.409 2.309 20 0 FEADMM COc1cc(C[N-]S(=O)(=O)c2c(C)noc2C)ccc1OC(F)F ZINC000008057930 539476623 /nfs/dbraw/zinc/47/66/23/539476623.db2.gz KISVKWZAQFMVLL-UHFFFAOYSA-N -1 1 362.354 2.380 20 0 FEADMM O=C(c1cnc(-c2ccccn2)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000549714770 674059583 /nfs/dbraw/zinc/05/95/83/674059583.db2.gz AQMRVSWQOCKIMQ-UHFFFAOYSA-N -1 1 357.395 2.314 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000016101433 539627877 /nfs/dbraw/zinc/62/78/77/539627877.db2.gz UDVXTONZUBZXGZ-UHFFFAOYSA-N -1 1 364.379 2.153 20 0 FEADMM CC(C)SCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000024659600 539736732 /nfs/dbraw/zinc/73/67/32/539736732.db2.gz FFDKTRSCJRWFOG-UHFFFAOYSA-N -1 1 358.485 2.257 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000024957626 539744678 /nfs/dbraw/zinc/74/46/78/539744678.db2.gz VRFDTHSAENABNK-UHFFFAOYSA-N -1 1 357.334 2.317 20 0 FEADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000029338226 539850428 /nfs/dbraw/zinc/85/04/28/539850428.db2.gz HAPLDIAFNRWXPT-UHFFFAOYSA-N -1 1 362.363 2.050 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000029345483 539851350 /nfs/dbraw/zinc/85/13/50/539851350.db2.gz LSFUBHNBZGORKX-LLVKDONJSA-N -1 1 354.453 2.399 20 0 FEADMM COc1cc(NC(=O)c2n[nH]c3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000029969844 539870656 /nfs/dbraw/zinc/87/06/56/539870656.db2.gz FIFDZFYYDFUUTF-UHFFFAOYSA-N -1 1 360.395 2.195 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1OC ZINC000032083566 539927826 /nfs/dbraw/zinc/92/78/26/539927826.db2.gz RSOHHDZVOZFLAW-UHFFFAOYSA-N -1 1 364.423 2.302 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000032629051 539944925 /nfs/dbraw/zinc/94/49/25/539944925.db2.gz CCEFWHDDVIUULK-UHFFFAOYSA-N -1 1 352.387 2.141 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000032926679 539959537 /nfs/dbraw/zinc/95/95/37/539959537.db2.gz BSOCLPZBKHWVEC-VIFPVBQESA-N -1 1 358.366 2.299 20 0 FEADMM C[C@H]1COCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033050091 539965584 /nfs/dbraw/zinc/96/55/84/539965584.db2.gz KIQYCNZMQXTMEA-AWEZNQCLSA-N -1 1 360.435 2.348 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)o1 ZINC000033047112 539965196 /nfs/dbraw/zinc/96/51/96/539965196.db2.gz YFRYTIPTFBYXRP-VIFPVBQESA-N -1 1 374.365 2.280 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)o1 ZINC000800921492 674088833 /nfs/dbraw/zinc/08/88/33/674088833.db2.gz APTCHDCBLDCYTO-SSDOTTSWSA-N -1 1 355.803 2.200 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)c3cccc4nsnc43)CCCC2)no1 ZINC000041628829 540028429 /nfs/dbraw/zinc/02/84/29/540028429.db2.gz XPNNWVINXCQBGA-UHFFFAOYSA-N -1 1 365.440 2.131 20 0 FEADMM Cc1nnc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000042127004 540052319 /nfs/dbraw/zinc/05/23/19/540052319.db2.gz BZPNEEUUCBDQAZ-UHFFFAOYSA-N -1 1 372.406 2.109 20 0 FEADMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000043803505 540110204 /nfs/dbraw/zinc/11/02/04/540110204.db2.gz PXHRLFMSGPUYGG-UHFFFAOYSA-N -1 1 371.372 2.115 20 0 FEADMM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(C)C)[nH]n2)C1=O ZINC000044942716 540144874 /nfs/dbraw/zinc/14/48/74/540144874.db2.gz FAKMPJCPDXBGNA-GOSISDBHSA-N -1 1 355.398 2.035 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2scnc2C)c1 ZINC000046583329 540262369 /nfs/dbraw/zinc/26/23/69/540262369.db2.gz QQGDYQVRBLTIAQ-UHFFFAOYSA-N -1 1 369.468 2.440 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1ccc(F)cc1Cl ZINC000047211551 540296948 /nfs/dbraw/zinc/29/69/48/540296948.db2.gz VHJUUTCXWXZAKC-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000051156710 540424690 /nfs/dbraw/zinc/42/46/90/540424690.db2.gz FOOUAYQGPPJCGY-VIFPVBQESA-N -1 1 357.646 2.204 20 0 FEADMM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1cc(F)ccc1F ZINC000054798267 540610607 /nfs/dbraw/zinc/61/06/07/540610607.db2.gz GTUXXWNLLVYUOL-UHFFFAOYSA-N -1 1 364.377 2.083 20 0 FEADMM COC(=O)COc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000055257241 540641239 /nfs/dbraw/zinc/64/12/39/540641239.db2.gz CMXVIMKVNDZWTG-UHFFFAOYSA-N -1 1 358.350 2.155 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1OC ZINC000055555403 540658555 /nfs/dbraw/zinc/65/85/55/540658555.db2.gz UGOQFUNQEYDLPS-UHFFFAOYSA-N -1 1 364.423 2.206 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000055588228 540661606 /nfs/dbraw/zinc/66/16/06/540661606.db2.gz DSONMNBYOSVCKS-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000055596529 540662049 /nfs/dbraw/zinc/66/20/49/540662049.db2.gz ZJOSVXCEXKHYQG-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000055631235 540665682 /nfs/dbraw/zinc/66/56/82/540665682.db2.gz ZNWFPYJIQQQWMS-UHFFFAOYSA-N -1 1 352.387 2.094 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1F ZINC000055678413 540670103 /nfs/dbraw/zinc/67/01/03/540670103.db2.gz UPODYBALPYUWJI-UHFFFAOYSA-N -1 1 366.370 2.470 20 0 FEADMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nnn1-c1ccc(C)cc1 ZINC000055912294 540685670 /nfs/dbraw/zinc/68/56/70/540685670.db2.gz PLXCSEJFLVVESO-UHFFFAOYSA-N -1 1 351.292 2.273 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)COc2c(C)cccc2C)o1 ZINC000056439182 540725835 /nfs/dbraw/zinc/72/58/35/540725835.db2.gz AYSVQEVXDASKFQ-ZDUSSCGKSA-N -1 1 366.439 2.002 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)c1Cl ZINC000057101934 540768628 /nfs/dbraw/zinc/76/86/28/540768628.db2.gz YYDFHZBMLZLHJJ-LLVKDONJSA-N -1 1 372.853 2.017 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)o1 ZINC000057323823 540789121 /nfs/dbraw/zinc/78/91/21/540789121.db2.gz VCTWYAKDFUIHDO-HNNXBMFYSA-N -1 1 362.451 2.425 20 0 FEADMM CC(C)CN(C1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000060380559 541109155 /nfs/dbraw/zinc/10/91/55/541109155.db2.gz AKPZWXIRLXANRQ-UHFFFAOYSA-N -1 1 364.464 2.006 20 0 FEADMM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)cc1 ZINC000065277967 541232094 /nfs/dbraw/zinc/23/20/94/541232094.db2.gz NYNNGGGZSCCBGJ-AWEZNQCLSA-N -1 1 370.402 2.403 20 0 FEADMM CCCOc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000065832461 541264279 /nfs/dbraw/zinc/26/42/79/541264279.db2.gz RMLYJHSLFVBKDC-UHFFFAOYSA-N -1 1 359.411 2.252 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cn1 ZINC000066580361 541340750 /nfs/dbraw/zinc/34/07/50/541340750.db2.gz LMWSUSNUQXGDCR-UHFFFAOYSA-N -1 1 368.846 2.484 20 0 FEADMM CC(C)n1c(CNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)n[n-]c1=S ZINC000066640157 541352957 /nfs/dbraw/zinc/35/29/57/541352957.db2.gz SPULKZWITHBVLU-VIFPVBQESA-N -1 1 361.427 2.171 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cc(C)n(-c2cccc(F)c2)n1 ZINC000542202257 541356857 /nfs/dbraw/zinc/35/68/57/541356857.db2.gz WVVGAMNESCVRGK-UHFFFAOYSA-N -1 1 371.372 2.482 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066846862 541379958 /nfs/dbraw/zinc/37/99/58/541379958.db2.gz GYSXUFXAZBKPFT-SFHVURJKSA-N -1 1 372.396 2.164 20 0 FEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1csc(-c2cnccn2)n1 ZINC000067078351 541414924 /nfs/dbraw/zinc/41/49/24/541414924.db2.gz SPJANCFSZKDCEQ-UHFFFAOYSA-N -1 1 373.467 2.162 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000543322563 541572529 /nfs/dbraw/zinc/57/25/29/541572529.db2.gz DSRGFLBLZJSXLP-LBPRGKRZSA-N -1 1 351.472 2.375 20 0 FEADMM CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000069300370 541675902 /nfs/dbraw/zinc/67/59/02/541675902.db2.gz LPDYVSQWFSHEEP-STQMWFEESA-N -1 1 370.519 2.395 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@H](c2ccc(F)cc2)c2ccccn2)n1 ZINC000069877706 541722262 /nfs/dbraw/zinc/72/22/62/541722262.db2.gz PWYXXGQFIFSZLF-MRXNPFEDSA-N -1 1 368.372 2.435 20 0 FEADMM COc1cccc([C@H](CNC(=O)N=c2ncn(C(C)(C)C)[n-]2)N(C)C)c1 ZINC000544314087 541750751 /nfs/dbraw/zinc/75/07/51/541750751.db2.gz BBDMRMZKKLKGOV-HNNXBMFYSA-N -1 1 360.462 2.466 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000064467685 212039555 /nfs/dbraw/zinc/03/95/55/212039555.db2.gz IKPVVOSMATXLQU-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CC[C@H](C)NC(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361159 674124371 /nfs/dbraw/zinc/12/43/71/674124371.db2.gz SWGJINOVJMWIIR-JTQLQIEISA-N -1 1 351.790 2.303 20 0 FEADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014256767 220120911 /nfs/dbraw/zinc/12/09/11/220120911.db2.gz XNLNCYRRCSMQFG-UHFFFAOYSA-N -1 1 354.453 2.087 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000073942493 542016331 /nfs/dbraw/zinc/01/63/31/542016331.db2.gz ZQJZYMNDURIZBM-JTQLQIEISA-N -1 1 350.419 2.414 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000073941879 542016616 /nfs/dbraw/zinc/01/66/16/542016616.db2.gz OAAYCBRPUXDNQB-UHFFFAOYSA-N -1 1 360.483 2.422 20 0 FEADMM Cc1ccc(N2CCC(NC(=O)c3nc4ccccc4c(=O)[n-]3)CC2)nc1 ZINC000075418783 542178801 /nfs/dbraw/zinc/17/88/01/542178801.db2.gz RESMBDGKCSTBQB-UHFFFAOYSA-N -1 1 363.421 2.025 20 0 FEADMM Cc1ccc(-c2nc(C(=O)N=c3ccnc4n(C)[n-]cc3-4)cs2)n1C ZINC000801702590 674144607 /nfs/dbraw/zinc/14/46/07/674144607.db2.gz NLKOQBRNUCAOHH-UHFFFAOYSA-N -1 1 352.423 2.365 20 0 FEADMM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383460 542375839 /nfs/dbraw/zinc/37/58/39/542375839.db2.gz YUUBIQHWLORISM-NSHDSACASA-N -1 1 366.480 2.300 20 0 FEADMM Cc1nc(-c2ccc(NCCCOC3CCOCC3)nc2)[n-]c(=O)c1C ZINC000078339052 542456287 /nfs/dbraw/zinc/45/62/87/542456287.db2.gz IQTFDKUOGJRVHV-UHFFFAOYSA-N -1 1 358.442 2.446 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000080782020 542607767 /nfs/dbraw/zinc/60/77/67/542607767.db2.gz RATLKKPPZPAYFW-UHFFFAOYSA-N -1 1 354.407 2.120 20 0 FEADMM Cc1nnc2n1CCC[C@H]2NC(=O)c1ccc(Br)cc1[O-] ZINC000092423368 542863252 /nfs/dbraw/zinc/86/32/52/542863252.db2.gz LPQLFSFXIPDRTF-LLVKDONJSA-N -1 1 351.204 2.320 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC2(C)Cc3ccccc3C2)c(=O)[n-]1 ZINC000092613655 542874615 /nfs/dbraw/zinc/87/46/15/542874615.db2.gz FZKFKVRGENQZLA-UHFFFAOYSA-N -1 1 357.479 2.407 20 0 FEADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000097129795 543005711 /nfs/dbraw/zinc/00/57/11/543005711.db2.gz IPRXCZLQFNCYNQ-SNVBAGLBSA-N -1 1 368.842 2.445 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H](C)O)cc1 ZINC000098078110 543020121 /nfs/dbraw/zinc/02/01/21/543020121.db2.gz VFJWRDMBVGWUBP-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H](C)O)c2)cc1F ZINC000098075835 543020377 /nfs/dbraw/zinc/02/03/77/543020377.db2.gz MQTXXPBJDKTVFH-GFCCVEGCSA-N -1 1 366.414 2.046 20 0 FEADMM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000101524695 543029279 /nfs/dbraw/zinc/02/92/79/543029279.db2.gz QTQKWAZAKRNMTH-ZDUSSCGKSA-N -1 1 366.439 2.468 20 0 FEADMM Cc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)[nH]1 ZINC000103253289 543098962 /nfs/dbraw/zinc/09/89/62/543098962.db2.gz UDVWPXXKIVTHKP-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM CC(C)Cn1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c2ccccc21 ZINC000103269943 543100691 /nfs/dbraw/zinc/10/06/91/543100691.db2.gz JZGPBKKSGDIVBF-UHFFFAOYSA-N -1 1 361.427 2.071 20 0 FEADMM CC(C)Cn1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c2ccccc21 ZINC000103269943 543100695 /nfs/dbraw/zinc/10/06/95/543100695.db2.gz JZGPBKKSGDIVBF-UHFFFAOYSA-N -1 1 361.427 2.071 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@@H](C)N1CCOCC1 ZINC000104759252 543142323 /nfs/dbraw/zinc/14/23/23/543142323.db2.gz IGGGFJZWOKGZQW-RKDXNWHRSA-N -1 1 373.327 2.442 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2sc(C)nc2C)c(=O)[n-]1 ZINC000108320387 543286512 /nfs/dbraw/zinc/28/65/12/543286512.db2.gz NBBKNHDYDPMSJL-UHFFFAOYSA-N -1 1 366.512 2.165 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000629292007 676841593 /nfs/dbraw/zinc/84/15/93/676841593.db2.gz WEUOZSXBQWKTJW-UHFFFAOYSA-N -1 1 359.280 2.209 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC[C@H]2CCOC2)n[n-]1 ZINC000551922051 674173143 /nfs/dbraw/zinc/17/31/43/674173143.db2.gz DVBGSXSIIALPAC-STQMWFEESA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC[C@H]2CCOC2)[n-]1 ZINC000551922051 674173145 /nfs/dbraw/zinc/17/31/45/674173145.db2.gz DVBGSXSIIALPAC-STQMWFEESA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC[C@H]2CCOC2)n1 ZINC000551922051 674173147 /nfs/dbraw/zinc/17/31/47/674173147.db2.gz DVBGSXSIIALPAC-STQMWFEESA-N -1 1 352.435 2.002 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cncc([O-])c1 ZINC000113991869 543500368 /nfs/dbraw/zinc/50/03/68/543500368.db2.gz CPONPBYCQRWDJC-CQSZACIVSA-N -1 1 365.311 2.341 20 0 FEADMM O=S(=O)(C[C@H]1CCCCO1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000115584243 543576098 /nfs/dbraw/zinc/57/60/98/543576098.db2.gz XZTFYDCAYIOUKA-CYBMUJFWSA-N -1 1 371.846 2.379 20 0 FEADMM CN(C)[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1c(F)cccc1F ZINC000115635754 543579379 /nfs/dbraw/zinc/57/93/79/543579379.db2.gz PNRIXKYXWHWMFN-HNNXBMFYSA-N -1 1 372.375 2.234 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccc(F)c2)o1 ZINC000118435699 543652501 /nfs/dbraw/zinc/65/25/01/543652501.db2.gz VMWJIXREKDFZIW-UHFFFAOYSA-N -1 1 355.387 2.461 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1nn[n-]n1 ZINC000122722939 543720207 /nfs/dbraw/zinc/72/02/07/543720207.db2.gz HEQSRYLJMBMWAG-GHMZBOCLSA-N -1 1 366.219 2.096 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)c1 ZINC000122764374 543721889 /nfs/dbraw/zinc/72/18/89/543721889.db2.gz OOUXGJACKNDWEL-UHFFFAOYSA-N -1 1 358.419 2.318 20 0 FEADMM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000123799673 543783401 /nfs/dbraw/zinc/78/34/01/543783401.db2.gz XDXLGADASACMLY-SKDRFNHKSA-N -1 1 361.826 2.003 20 0 FEADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124349797 543815942 /nfs/dbraw/zinc/81/59/42/543815942.db2.gz PMLNZMYXEAQENI-LLVKDONJSA-N -1 1 359.821 2.223 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nc(-c2ccc(Cl)cc2)n1 ZINC000124248035 543809044 /nfs/dbraw/zinc/80/90/44/543809044.db2.gz LXCFHUBTGPEKNR-JTQLQIEISA-N -1 1 371.832 2.494 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3cccc(F)c3F)[nH]c21 ZINC000128642343 544064297 /nfs/dbraw/zinc/06/42/97/544064297.db2.gz DHWSTWSHNOHQPM-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CCO)c1ccccc1 ZINC000128557565 544059493 /nfs/dbraw/zinc/05/94/93/544059493.db2.gz VNIMMEAFVLOYFR-KRWDZBQOSA-N -1 1 368.437 2.224 20 0 FEADMM Cc1c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)sc2cccc(F)c12 ZINC000129218721 544097961 /nfs/dbraw/zinc/09/79/61/544097961.db2.gz XUZFPTHMRBLOKJ-UHFFFAOYSA-N -1 1 354.388 2.123 20 0 FEADMM Cc1c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)sc2cccc(F)c12 ZINC000129218721 544097962 /nfs/dbraw/zinc/09/79/62/544097962.db2.gz XUZFPTHMRBLOKJ-UHFFFAOYSA-N -1 1 354.388 2.123 20 0 FEADMM CCCN1Cc2cccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)c2C1 ZINC000129681532 544123352 /nfs/dbraw/zinc/12/33/52/544123352.db2.gz WGNVIRVYLYAYFY-UHFFFAOYSA-N -1 1 359.348 2.351 20 0 FEADMM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1c(F)cccc1Cl ZINC000131031717 544174659 /nfs/dbraw/zinc/17/46/59/544174659.db2.gz CWCFABDZLGRLHO-NSHDSACASA-N -1 1 351.827 2.343 20 0 FEADMM CN(c1ccccc1)C1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000132830815 544245364 /nfs/dbraw/zinc/24/53/64/544245364.db2.gz KWOXXMMNHXREJG-UHFFFAOYSA-N -1 1 365.437 2.415 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)c1 ZINC000132202125 544222829 /nfs/dbraw/zinc/22/28/29/544222829.db2.gz NQSFWKIMTNFNTN-UHFFFAOYSA-N -1 1 365.367 2.467 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CN2CCCC[C@@H]2CO1)c1c(F)cccc1Cl ZINC000133199343 544259967 /nfs/dbraw/zinc/25/99/67/544259967.db2.gz BADHSDUKHUQQLU-VXGBXAGGSA-N -1 1 362.854 2.011 20 0 FEADMM Cc1ccn(-c2ccccc2CNC(=O)c2nc3ccccc3c(=O)[n-]2)n1 ZINC000134325356 544303356 /nfs/dbraw/zinc/30/33/56/544303356.db2.gz BLAJJRHOLNPOKV-UHFFFAOYSA-N -1 1 359.389 2.347 20 0 FEADMM CC(C)[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134254282 544300697 /nfs/dbraw/zinc/30/06/97/544300697.db2.gz OKKAONNVRPLRRJ-QZTJIDSGSA-N -1 1 370.449 2.283 20 0 FEADMM CCC[C@H](NC(=O)c1cccc(CSc2nccn2C)c1)c1nn[n-]n1 ZINC000136671041 544376377 /nfs/dbraw/zinc/37/63/77/544376377.db2.gz IFGWLMSZVBDVEF-AWEZNQCLSA-N -1 1 371.470 2.497 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)c1nn[n-]n1 ZINC000136692866 544376934 /nfs/dbraw/zinc/37/69/34/544376934.db2.gz PHNGMMBZHXZCSP-OAHLLOKOSA-N -1 1 352.398 2.135 20 0 FEADMM CC(C)CN(CC(F)(F)F)C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000150785140 544471931 /nfs/dbraw/zinc/47/19/31/544471931.db2.gz HFWKDBWSIZKOEJ-UHFFFAOYSA-N -1 1 353.362 2.213 20 0 FEADMM CN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1=O ZINC000151216980 544517938 /nfs/dbraw/zinc/51/79/38/544517938.db2.gz GWJSDSWPUBAVLO-QMMMGPOBSA-N -1 1 370.780 2.258 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)co1 ZINC000152072798 544611583 /nfs/dbraw/zinc/61/15/83/544611583.db2.gz YYVBRKLIBQLWEX-UHFFFAOYSA-N -1 1 366.414 2.379 20 0 FEADMM O=C(c1ccccn1)N1CC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000152198848 544624996 /nfs/dbraw/zinc/62/49/96/544624996.db2.gz DHTFEDMINDTQSM-CQSZACIVSA-N -1 1 371.418 2.021 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CC[C@H](O)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000153092171 544731732 /nfs/dbraw/zinc/73/17/32/544731732.db2.gz LWQSUXTURYKMFT-AWEZNQCLSA-N -1 1 362.332 2.130 20 0 FEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000152974430 544718658 /nfs/dbraw/zinc/71/86/58/544718658.db2.gz FLBHKRMUSJIMOB-AWEZNQCLSA-N -1 1 351.428 2.196 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c1 ZINC000153455093 544777865 /nfs/dbraw/zinc/77/78/65/544777865.db2.gz NRGQEPXNAGNUAY-UHFFFAOYSA-N -1 1 353.371 2.215 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)n[n-]1 ZINC000153161932 544740846 /nfs/dbraw/zinc/74/08/46/544740846.db2.gz GOPOYFRVXQEYFO-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM Cc1nc(CCC(=O)Nc2nc(SCCO)n[nH]2)oc1-c1ccccc1 ZINC000155279022 545007474 /nfs/dbraw/zinc/00/74/74/545007474.db2.gz YLSBSVIMKNMVQW-UHFFFAOYSA-N -1 1 373.438 2.424 20 0 FEADMM CCC[C@@]1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCOC1 ZINC000553123705 674239696 /nfs/dbraw/zinc/23/96/96/674239696.db2.gz PFNWCFALLGLCCZ-MRXNPFEDSA-N -1 1 358.460 2.045 20 0 FEADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(S(N)(=O)=O)oc1C ZINC000553579616 674272956 /nfs/dbraw/zinc/27/29/56/674272956.db2.gz OIOLQPLIMPYCJL-UHFFFAOYSA-N -1 1 361.379 2.451 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2ncccn2)CC1 ZINC000180327337 327681421 /nfs/dbraw/zinc/68/14/21/327681421.db2.gz CJSHGOPGMSZANR-UHFFFAOYSA-N -1 1 352.316 2.163 20 0 FEADMM CC(C)(CO)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000182439854 327775601 /nfs/dbraw/zinc/77/56/01/327775601.db2.gz LTYHYELMHMLMOZ-UHFFFAOYSA-N -1 1 364.348 2.423 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccsc1 ZINC000184254860 327858367 /nfs/dbraw/zinc/85/83/67/327858367.db2.gz ZUJXRWGFOSFEPS-HNNXBMFYSA-N -1 1 351.449 2.429 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC[C@@H]1CCCCO1 ZINC000184351051 327863768 /nfs/dbraw/zinc/86/37/68/327863768.db2.gz HZNOPQHVGCJGIC-HNNXBMFYSA-N -1 1 360.458 2.450 20 0 FEADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(S(N)(=O)=O)c1 ZINC000185419495 327915287 /nfs/dbraw/zinc/91/52/87/327915287.db2.gz SZYOYDNNBUWEAO-ZDUSSCGKSA-N -1 1 352.387 2.060 20 0 FEADMM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000185917955 327939126 /nfs/dbraw/zinc/93/91/26/327939126.db2.gz IMKGIROSWQUHKO-UHFFFAOYSA-N -1 1 361.405 2.475 20 0 FEADMM CSc1nc(C)c(CCC(=O)NOCc2ccc(F)cc2)c(=O)[n-]1 ZINC000186456405 327962620 /nfs/dbraw/zinc/96/26/20/327962620.db2.gz MMOYYLZMFUMRRF-UHFFFAOYSA-N -1 1 351.403 2.120 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1F ZINC000187068064 328000284 /nfs/dbraw/zinc/00/02/84/328000284.db2.gz PUXKTXHLEMYEGA-UHFFFAOYSA-N -1 1 366.370 2.388 20 0 FEADMM CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc([O-])cc3F)c2)CC1 ZINC000187162714 328005863 /nfs/dbraw/zinc/00/58/63/328005863.db2.gz XNRWGYITTPHFTL-UHFFFAOYSA-N -1 1 371.412 2.448 20 0 FEADMM O=S(=O)([N-]CC(F)F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187270189 328012172 /nfs/dbraw/zinc/01/21/72/328012172.db2.gz GZOVCBQHEXYKPY-SECBINFHSA-N -1 1 355.790 2.299 20 0 FEADMM CCCc1noc2nc(C3CC3)cc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c12 ZINC000187270013 328012183 /nfs/dbraw/zinc/01/21/83/328012183.db2.gz QRWAGHHJTWGPNU-JTQLQIEISA-N -1 1 369.429 2.442 20 0 FEADMM O=C(CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000187306279 328015217 /nfs/dbraw/zinc/01/52/17/328015217.db2.gz QTOVGQFJEWKHJI-UHFFFAOYSA-N -1 1 358.778 2.211 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CNS(C)(=O)=O)cc1 ZINC000187459745 328026900 /nfs/dbraw/zinc/02/69/00/328026900.db2.gz FTCGJBYWBDWMCS-UHFFFAOYSA-N -1 1 368.480 2.099 20 0 FEADMM COCCC1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCCCC1 ZINC000187470351 328027884 /nfs/dbraw/zinc/02/78/84/328027884.db2.gz YDLWYOKCYGQTBE-UHFFFAOYSA-N -1 1 374.485 2.285 20 0 FEADMM NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188083379 328064860 /nfs/dbraw/zinc/06/48/60/328064860.db2.gz YOBZKKGIBMISHD-APPZFPTMSA-N -1 1 369.245 2.455 20 0 FEADMM CCCC(=O)N1CCC[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000188339345 328081680 /nfs/dbraw/zinc/08/16/80/328081680.db2.gz CYLNZOQPYNTSRH-VIFPVBQESA-N -1 1 356.220 2.279 20 0 FEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Cc2nn[nH]n2)cc1 ZINC000188476655 328089504 /nfs/dbraw/zinc/08/95/04/328089504.db2.gz PSUVUWQQAVVMTP-UHFFFAOYSA-N -1 1 361.452 2.313 20 0 FEADMM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000188977961 328121432 /nfs/dbraw/zinc/12/14/32/328121432.db2.gz MCYHQTFSHJDIDJ-GFCCVEGCSA-N -1 1 355.232 2.141 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1n[nH]c2c1CCCCC2 ZINC000190986701 328243931 /nfs/dbraw/zinc/24/39/31/328243931.db2.gz GQTJQWRTKZLEHP-UHFFFAOYSA-N -1 1 366.418 2.442 20 0 FEADMM O=S(=O)(CCCc1nc(-c2ccccc2)no1)c1n[n-]c(C2CC2)n1 ZINC000191027792 328246312 /nfs/dbraw/zinc/24/63/12/328246312.db2.gz QMYGMUVXLRDJCC-UHFFFAOYSA-N -1 1 359.411 2.139 20 0 FEADMM CC[C@H]1COCCN1C(=O)c1cc(I)ccc1[O-] ZINC000191857987 328285272 /nfs/dbraw/zinc/28/52/72/328285272.db2.gz MLBYFNXANJJGBJ-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM CCc1cc2c(CN3CCS(=O)(=O)CC[C@@H]3C)cc(=O)oc2cc1[O-] ZINC000192092841 328299393 /nfs/dbraw/zinc/29/93/93/328299393.db2.gz ZHGCKKKIEQAQRK-LBPRGKRZSA-N -1 1 365.451 2.070 20 0 FEADMM Cc1nccc(CNC(=O)c2cc(I)ccc2[O-])n1 ZINC000193469275 328377337 /nfs/dbraw/zinc/37/73/37/328377337.db2.gz YQXRVXSNZCTQIM-UHFFFAOYSA-N -1 1 369.162 2.025 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000193469137 328377345 /nfs/dbraw/zinc/37/73/45/328377345.db2.gz CUMPTQIFQUAZPJ-UHFFFAOYSA-N -1 1 370.240 2.301 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1S(N)(=O)=O ZINC000031667231 324470603 /nfs/dbraw/zinc/47/06/03/324470603.db2.gz OQCGGOMMRYCJMH-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CC(=O)c1ccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1C ZINC000089410562 325315755 /nfs/dbraw/zinc/31/57/55/325315755.db2.gz RDDVZOATGNNYTO-UHFFFAOYSA-N -1 1 352.394 2.332 20 0 FEADMM COC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000091047287 325370959 /nfs/dbraw/zinc/37/09/59/325370959.db2.gz RDFJIFFLSXDNBG-HNNXBMFYSA-N -1 1 359.332 2.319 20 0 FEADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1S(=O)(=O)N(C)C ZINC000093901334 325449252 /nfs/dbraw/zinc/44/92/52/325449252.db2.gz SDVSLISVRAJOLB-UHFFFAOYSA-N -1 1 352.387 2.342 20 0 FEADMM O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094015249 325451658 /nfs/dbraw/zinc/45/16/58/325451658.db2.gz JSTKOSBJPAEXFC-LBPRGKRZSA-N -1 1 353.216 2.038 20 0 FEADMM O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000094120434 325453339 /nfs/dbraw/zinc/45/33/39/325453339.db2.gz PKERYXOEPBNCCG-MRXNPFEDSA-N -1 1 354.341 2.364 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCO)c2)c1 ZINC000098074902 325465536 /nfs/dbraw/zinc/46/55/36/325465536.db2.gz BUOOHISXEIIYPY-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000244173059 328543629 /nfs/dbraw/zinc/54/36/29/328543629.db2.gz VEQIQDJTFCYNHJ-UHFFFAOYSA-N -1 1 362.451 2.480 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000104872922 325549216 /nfs/dbraw/zinc/54/92/16/325549216.db2.gz PLNOFPHSUPDHJB-MRXNPFEDSA-N -1 1 350.422 2.198 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCOc3ccccc32)c(=O)[n-]1 ZINC000108741584 325649743 /nfs/dbraw/zinc/64/97/43/325649743.db2.gz NFPNMMJEXQNKFL-CYBMUJFWSA-N -1 1 373.478 2.415 20 0 FEADMM O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111578981 325725803 /nfs/dbraw/zinc/72/58/03/325725803.db2.gz HGWRQKPZHUXCLJ-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM C[C@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)COCc1ccccc1 ZINC000119175546 326134447 /nfs/dbraw/zinc/13/44/47/326134447.db2.gz CJIHFTVRFOGKJW-CYBMUJFWSA-N -1 1 354.410 2.257 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)c1Cl ZINC000119316496 326148815 /nfs/dbraw/zinc/14/88/15/326148815.db2.gz CTEFLQORAMQZMP-UHFFFAOYSA-N -1 1 360.892 2.082 20 0 FEADMM CCC(=O)N1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000119606024 326180190 /nfs/dbraw/zinc/18/01/90/326180190.db2.gz VVXMBEWXVXZAIW-MRXNPFEDSA-N -1 1 358.438 2.072 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(OCc2ccccn2)cc1)c1nn[n-]n1 ZINC000119618530 326181214 /nfs/dbraw/zinc/18/12/14/326181214.db2.gz XVUDVKKMRPOGQD-QGZVFWFLSA-N -1 1 366.425 2.374 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119927684 326213028 /nfs/dbraw/zinc/21/30/28/326213028.db2.gz CNXHQILUOBAUHQ-OAHLLOKOSA-N -1 1 374.462 2.186 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120134792 326233490 /nfs/dbraw/zinc/23/34/90/326233490.db2.gz GBRQHJYUYBTUML-OAHLLOKOSA-N -1 1 368.441 2.461 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000120918666 326298991 /nfs/dbraw/zinc/29/89/91/326298991.db2.gz GVHCFXQGIXGXLR-NRFANRHFSA-N -1 1 361.401 2.237 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2OCC(C)C)co1 ZINC000121914912 326375724 /nfs/dbraw/zinc/37/57/24/326375724.db2.gz NBBNQLNWUFLNPU-UHFFFAOYSA-N -1 1 366.439 2.153 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCCN1CCC(C)CC1 ZINC000123785504 326442240 /nfs/dbraw/zinc/44/22/40/326442240.db2.gz SGTRPTDZUBAQMS-UHFFFAOYSA-N -1 1 374.890 2.357 20 0 FEADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000125378900 326470646 /nfs/dbraw/zinc/47/06/46/326470646.db2.gz PQYWIUOASDOORB-LLVKDONJSA-N -1 1 351.204 2.261 20 0 FEADMM CC(C)(C)[C@H](NC(=O)c1c([O-])cccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000130539387 326558707 /nfs/dbraw/zinc/55/87/07/326558707.db2.gz IKJFGYRAGBLZCD-LLVKDONJSA-N -1 1 360.349 2.217 20 0 FEADMM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000151168588 326676442 /nfs/dbraw/zinc/67/64/42/326676442.db2.gz SJWGICSPFXAVNO-UHFFFAOYSA-N -1 1 374.462 2.232 20 0 FEADMM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)c(F)cc1F ZINC000153020506 326722003 /nfs/dbraw/zinc/72/20/03/326722003.db2.gz CQWGDAJKLMTGBJ-LKFCYVNXSA-N -1 1 367.414 2.437 20 0 FEADMM CC[C@@](C)(NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nccs1 ZINC000154167250 326753104 /nfs/dbraw/zinc/75/31/04/326753104.db2.gz PHAOYCCERZKUCK-QGZVFWFLSA-N -1 1 359.455 2.080 20 0 FEADMM O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000154829746 326770196 /nfs/dbraw/zinc/77/01/96/326770196.db2.gz SQMVXDAMJGFRTM-UHFFFAOYSA-N -1 1 360.360 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)co1 ZINC000155580993 326794486 /nfs/dbraw/zinc/79/44/86/326794486.db2.gz FQFUPNQRRSPNLV-NSHDSACASA-N -1 1 354.350 2.039 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccnc(OC(C)C)c1 ZINC000157596012 326869763 /nfs/dbraw/zinc/86/97/63/326869763.db2.gz CATYWVOXBXZIOX-UHFFFAOYSA-N -1 1 358.442 2.488 20 0 FEADMM 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/nfs/dbraw/zinc/25/34/98/327253498.db2.gz LMVNJVPXNDYBPO-SECBINFHSA-N -1 1 353.362 2.218 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC2(CCCC2)C1 ZINC000173743473 327280612 /nfs/dbraw/zinc/28/06/12/327280612.db2.gz OMBRYYHZHLADGW-UHFFFAOYSA-N -1 1 352.438 2.476 20 0 FEADMM CO[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1cccc(Cl)c1 ZINC000173986940 327299769 /nfs/dbraw/zinc/29/97/69/327299769.db2.gz VVGOWEQBCLNTDS-NSHDSACASA-N -1 1 364.254 2.393 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCN(Cc2ccon2)CC1 ZINC000174498166 327330723 /nfs/dbraw/zinc/33/07/23/327330723.db2.gz LFWBHDZTTNQLKK-UHFFFAOYSA-N -1 1 366.215 2.101 20 0 FEADMM Cc1cc(N2CC[C@H](NC(=O)c3cc4ccccc4cc3[O-])C2=O)n(C)n1 ZINC000174595650 327337307 /nfs/dbraw/zinc/33/73/07/327337307.db2.gz WRSFHZFJTADOMX-INIZCTEOSA-N -1 1 364.405 2.123 20 0 FEADMM CO[C@]1(C)C[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000174822552 327353269 /nfs/dbraw/zinc/35/32/69/327353269.db2.gz PUGSXIPDOZTKBQ-YVEFUNNKSA-N -1 1 353.488 2.053 20 0 FEADMM 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/nfs/dbraw/zinc/23/01/66/330230166.db2.gz HORBDJUTEOXTLG-GFCCVEGCSA-N -1 1 359.455 2.006 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C[C@]2(CCOC2)O1 ZINC000373630893 330246872 /nfs/dbraw/zinc/24/68/72/330246872.db2.gz XEVXUDRAGNPGRF-YJYMSZOUSA-N -1 1 363.458 2.198 20 0 FEADMM CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000631917478 450593095 /nfs/dbraw/zinc/59/30/95/450593095.db2.gz LCZGIAWLSRYDAQ-UHFFFAOYSA-N -1 1 369.874 2.193 20 0 FEADMM Cn1ncc2c1nc(Oc1ccc(S(=O)(=O)C(F)(F)F)cc1)[n-]c2=O ZINC000804839776 674303117 /nfs/dbraw/zinc/30/31/17/674303117.db2.gz WFVBRRCIYGZOKL-UHFFFAOYSA-N -1 1 374.300 2.155 20 0 FEADMM COCCCO[N-]C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000805044750 674314939 /nfs/dbraw/zinc/31/49/39/674314939.db2.gz ACKJTHXJIRABBY-GOSISDBHSA-N -1 1 350.415 2.120 20 0 FEADMM C[C@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000805252182 674327888 /nfs/dbraw/zinc/32/78/88/674327888.db2.gz YNCIVRXMEZNKBT-NWBUJAPZSA-N -1 1 365.396 2.041 20 0 FEADMM Cc1ccc([C@@H](NC(=O)COC(=O)c2cn[n-]n2)c2cccs2)cc1 ZINC000805608484 674347323 /nfs/dbraw/zinc/34/73/23/674347323.db2.gz FNHUXOYYSIPLOB-MRXNPFEDSA-N -1 1 356.407 2.237 20 0 FEADMM O=C(Cc1cccc(F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130477262 518199046 /nfs/dbraw/zinc/19/90/46/518199046.db2.gz MIBUXFICGIGSTF-UHFFFAOYSA-N -1 1 364.398 2.153 20 0 FEADMM C[C@H]1CCN(Cc2ncnn2C(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805784999 674354113 /nfs/dbraw/zinc/35/41/13/674354113.db2.gz AYWNSGRJCDCFEG-GVXVVHGQSA-N -1 1 361.412 2.311 20 0 FEADMM COC(C)(C)c1nc(C)c(C(=O)NC2(c3nn[n-]n3)CCCC2)s1 ZINC000555508606 674364125 /nfs/dbraw/zinc/36/41/25/674364125.db2.gz KUNQWGFINHTANC-UHFFFAOYSA-N -1 1 350.448 2.045 20 0 FEADMM O=C(Cc1cccc(Br)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000555527007 674364831 /nfs/dbraw/zinc/36/48/31/674364831.db2.gz SNBMHDSGLMAMSE-UHFFFAOYSA-N -1 1 366.215 2.486 20 0 FEADMM C[C@H]1CSC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000397944053 558625705 /nfs/dbraw/zinc/62/57/05/558625705.db2.gz RQODWRWUUAQGDU-OIBJUYFYSA-N -1 1 363.220 2.478 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2nc3c(cccc3C)[nH]2)c(=O)[n-]1 ZINC000155290894 545507068 /nfs/dbraw/zinc/50/70/68/545507068.db2.gz XTMITAVUCDEREY-UHFFFAOYSA-N -1 1 371.466 2.234 20 0 FEADMM O=C(c1ccnc(SCC(F)(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155519057 545537135 /nfs/dbraw/zinc/53/71/35/545537135.db2.gz TVVJTESGUUFBQA-JTQLQIEISA-N -1 1 372.376 2.269 20 0 FEADMM O=C(COc1ccccc1C(F)(F)F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155581674 545545484 /nfs/dbraw/zinc/54/54/84/545545484.db2.gz NYIKHWBBDVLTKL-SNVBAGLBSA-N -1 1 355.320 2.004 20 0 FEADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155585578 545545869 /nfs/dbraw/zinc/54/58/69/545545869.db2.gz VZBDBSGHCAVECX-CHWSQXEVSA-N -1 1 368.445 2.244 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000156337441 545619097 /nfs/dbraw/zinc/61/90/97/545619097.db2.gz AFTCNVHPYFPPGL-JTQLQIEISA-N -1 1 368.231 2.137 20 0 FEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C12CCCCC2 ZINC000477347855 561142792 /nfs/dbraw/zinc/14/27/92/561142792.db2.gz HBYOWSORXOBMLZ-RYUDHWBXSA-N -1 1 365.430 2.096 20 0 FEADMM CCOc1cc(C(=O)N(CCO)Cc2ccnn2CC)cc(Cl)c1[O-] ZINC000477395118 561143924 /nfs/dbraw/zinc/14/39/24/561143924.db2.gz CHQOQHVPUGQSEC-UHFFFAOYSA-N -1 1 367.833 2.295 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000477618999 561149504 /nfs/dbraw/zinc/14/95/04/561149504.db2.gz QUJQZNAGOYFRGH-KBPBESRZSA-N -1 1 357.410 2.428 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1 ZINC000158237731 545837883 /nfs/dbraw/zinc/83/78/83/545837883.db2.gz FEZRXVBVKBCCMN-UHFFFAOYSA-N -1 1 360.435 2.453 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCCN(C(=O)C2CC2)CC1 ZINC000158581350 545874803 /nfs/dbraw/zinc/87/48/03/545874803.db2.gz HGTINOJPSHJGBJ-UHFFFAOYSA-N -1 1 367.243 2.239 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478295813 561163875 /nfs/dbraw/zinc/16/38/75/561163875.db2.gz TVFBTBIGDHUQQF-ZFWWWQNUSA-N -1 1 357.385 2.109 20 0 FEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C)c1 ZINC000478712802 561173486 /nfs/dbraw/zinc/17/34/86/561173486.db2.gz SKJBMHWYHVDPBO-UHFFFAOYSA-N -1 1 370.377 2.199 20 0 FEADMM CN(Cc1cccc(Cl)c1Cl)C(=O)CNC(=O)c1ncccc1[O-] ZINC000478934924 561178482 /nfs/dbraw/zinc/17/84/82/561178482.db2.gz BDJSKMJLGAWJLU-UHFFFAOYSA-N -1 1 368.220 2.482 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)o1 ZINC000479216101 561185071 /nfs/dbraw/zinc/18/50/71/561185071.db2.gz YLQHPGAIDGNPLU-UHFFFAOYSA-N -1 1 360.391 2.483 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1C1CC1 ZINC000479532634 561191383 /nfs/dbraw/zinc/19/13/83/561191383.db2.gz QEYUBEXQAKZZRK-UHFFFAOYSA-N -1 1 366.464 2.321 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000176539317 546458881 /nfs/dbraw/zinc/45/88/81/546458881.db2.gz MUSHSGBZFPZWRH-UHFFFAOYSA-N -1 1 371.416 2.364 20 0 FEADMM CCC[C@@H](NC(=O)COc1ccc(Br)cc1F)c1nn[n-]n1 ZINC000176768802 546486263 /nfs/dbraw/zinc/48/62/63/546486263.db2.gz QBTZHDDYTHSAJU-SNVBAGLBSA-N -1 1 372.198 2.138 20 0 FEADMM CCC[C@H](NC(=O)c1cc(C)n(Cc2ccccn2)c1C)c1nn[n-]n1 ZINC000176779559 546486917 /nfs/dbraw/zinc/48/69/17/546486917.db2.gz OEAWSRVJNDQOND-INIZCTEOSA-N -1 1 353.430 2.333 20 0 FEADMM CCC[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1nn[n-]n1 ZINC000176791478 546489045 /nfs/dbraw/zinc/48/90/45/546489045.db2.gz LGUQKKKTQQTGSE-ZDUSSCGKSA-N -1 1 355.402 2.230 20 0 FEADMM CNC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000481574385 561236424 /nfs/dbraw/zinc/23/64/24/561236424.db2.gz UUMGPAFRMYKRLI-CQSZACIVSA-N -1 1 372.368 2.260 20 0 FEADMM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1ccc2ncccc2c1 ZINC000481605831 561237202 /nfs/dbraw/zinc/23/72/02/561237202.db2.gz DWTSTTRVVSYKGP-UHFFFAOYSA-N -1 1 366.406 2.140 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)s1 ZINC000178817859 546854471 /nfs/dbraw/zinc/85/44/71/546854471.db2.gz OOUISWSAULHLRE-UHFFFAOYSA-N -1 1 358.416 2.110 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C1CC1 ZINC000178838297 546859622 /nfs/dbraw/zinc/85/96/22/546859622.db2.gz SIZLYEHMYMVJOZ-SECBINFHSA-N -1 1 369.668 2.201 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)c1 ZINC000179016414 546886545 /nfs/dbraw/zinc/88/65/45/546886545.db2.gz JUOKKIJEOOQTMR-UHFFFAOYSA-N -1 1 353.465 2.383 20 0 FEADMM CC(C)(C)c1nc2cc(NC(=O)CNC(=O)c3ncccc3[O-])ccc2[nH]1 ZINC000481880507 561244564 /nfs/dbraw/zinc/24/45/64/561244564.db2.gz VNGSLJVPTLWOGE-UHFFFAOYSA-N -1 1 367.409 2.330 20 0 FEADMM CC(C)(C)c1nc2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2[nH]1 ZINC000481880507 561244566 /nfs/dbraw/zinc/24/45/66/561244566.db2.gz VNGSLJVPTLWOGE-UHFFFAOYSA-N -1 1 367.409 2.330 20 0 FEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179410539 546948564 /nfs/dbraw/zinc/94/85/64/546948564.db2.gz REIUQHJNXSYVHA-LLVKDONJSA-N -1 1 366.414 2.273 20 0 FEADMM Cc1csc([C@@H]2CCCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)n1 ZINC000179523425 546971172 /nfs/dbraw/zinc/97/11/72/546971172.db2.gz GPNWCLRNIXNLAA-LLVKDONJSA-N -1 1 357.439 2.459 20 0 FEADMM Cc1nnc(-c2cccc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)c2)o1 ZINC000179520043 546971277 /nfs/dbraw/zinc/97/12/77/546971277.db2.gz GQJXKBPARRBWFK-UHFFFAOYSA-N -1 1 350.338 2.285 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CS(=O)(=O)C(C)C)c1 ZINC000482584542 561256356 /nfs/dbraw/zinc/25/63/56/561256356.db2.gz YYDZISWSQRTXJU-UHFFFAOYSA-N -1 1 350.234 2.225 20 0 FEADMM COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180646802 547149177 /nfs/dbraw/zinc/14/91/77/547149177.db2.gz ZBVGOQKQYWHMBK-NSHDSACASA-N -1 1 374.359 2.120 20 0 FEADMM O=C(N[C@@H]1CCCOCC1)c1cc(I)ccc1[O-] ZINC000180981433 547223704 /nfs/dbraw/zinc/22/37/04/547223704.db2.gz DMFHJZDXTCKTIZ-SNVBAGLBSA-N -1 1 361.179 2.296 20 0 FEADMM C[C@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(F)cc1F ZINC000181029509 547234209 /nfs/dbraw/zinc/23/42/09/547234209.db2.gz IWOZDHKRVYECEC-SECBINFHSA-N -1 1 370.377 2.450 20 0 FEADMM C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000181072415 547242382 /nfs/dbraw/zinc/24/23/82/547242382.db2.gz ZHWVSEITJKAVJF-GDBMZVCRSA-N -1 1 374.462 2.330 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCc1csc2ccccc12 ZINC000483241732 561271541 /nfs/dbraw/zinc/27/15/41/561271541.db2.gz QQODMOHESLTKLI-UHFFFAOYSA-N -1 1 355.419 2.091 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000181283481 547286281 /nfs/dbraw/zinc/28/62/81/547286281.db2.gz VADXPIQZHLPVCB-UHFFFAOYSA-N -1 1 363.292 2.139 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)c2cnn(CCC(F)(F)F)c2)[nH]n1 ZINC000182734949 547542951 /nfs/dbraw/zinc/54/29/51/547542951.db2.gz OWSSKKYSYALKFF-UHFFFAOYSA-N -1 1 353.308 2.211 20 0 FEADMM CCc1ccc(S(=O)(=O)Nc2cccc(OC)c2O)cc1C(=O)[O-] ZINC000484050738 561290394 /nfs/dbraw/zinc/29/03/94/561290394.db2.gz YPSYXOYZBQMEFZ-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nn[n-]n1 ZINC000183402826 547651632 /nfs/dbraw/zinc/65/16/32/547651632.db2.gz AHDNEJKLKLWZBM-LLVKDONJSA-N -1 1 370.438 2.389 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183410205 547652961 /nfs/dbraw/zinc/65/29/61/547652961.db2.gz DWWGJTGEBGLKOM-NHAQELONSA-N -1 1 365.441 2.278 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc2cc(Br)ccc2[nH]1)c1nn[n-]n1 ZINC000183411485 547652983 /nfs/dbraw/zinc/65/29/83/547652983.db2.gz KOVVZMDREXPNMV-QMMMGPOBSA-N -1 1 363.219 2.319 20 0 FEADMM COc1cccc(C=CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1OC(F)F ZINC000183409651 547653339 /nfs/dbraw/zinc/65/33/39/547653339.db2.gz LZHFDFBEQSKREA-GQYWMQPJSA-N -1 1 367.356 2.085 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000484649353 561302290 /nfs/dbraw/zinc/30/22/90/561302290.db2.gz ZMGXLIUHRGHMDK-LLVKDONJSA-N -1 1 362.407 2.353 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)[nH]n1 ZINC000184948593 547905172 /nfs/dbraw/zinc/90/51/72/547905172.db2.gz LBLLCACSSHNSKI-UHFFFAOYSA-N -1 1 374.466 2.388 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000184995114 547914283 /nfs/dbraw/zinc/91/42/83/547914283.db2.gz IHMVYWCQNQERMJ-LBPRGKRZSA-N -1 1 354.472 2.269 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC000485281078 561316277 /nfs/dbraw/zinc/31/62/77/561316277.db2.gz WCIUDAVTUZCEBT-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c(F)c1 ZINC000185123989 547937028 /nfs/dbraw/zinc/93/70/28/547937028.db2.gz UZVRTKSIDJWSFA-AWEZNQCLSA-N -1 1 370.446 2.163 20 0 FEADMM O=C(Nc1ccc(-n2cccn2)nc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000485385583 561318058 /nfs/dbraw/zinc/31/80/58/561318058.db2.gz RYGHKJXNIGDMGD-UHFFFAOYSA-N -1 1 358.361 2.474 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)c1 ZINC000185637419 548012225 /nfs/dbraw/zinc/01/22/25/548012225.db2.gz NOTLPSJTRPNYSZ-UHFFFAOYSA-N -1 1 356.407 2.486 20 0 FEADMM COc1ccc(NC(=O)c2ncc(C)cc2OC)cc1[N-]S(C)(=O)=O ZINC000486038653 561336430 /nfs/dbraw/zinc/33/64/30/561336430.db2.gz KPRGHVAYGHXPKU-UHFFFAOYSA-N -1 1 365.411 2.031 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000193084865 548378968 /nfs/dbraw/zinc/37/89/68/548378968.db2.gz GXPZMOPNRBVEDS-UHFFFAOYSA-N -1 1 356.426 2.330 20 0 FEADMM CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000193974409 548415645 /nfs/dbraw/zinc/41/56/45/548415645.db2.gz LJJNDIHIHRHKBR-UHFFFAOYSA-N -1 1 366.830 2.421 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1-n1cnnn1 ZINC000486721617 561355173 /nfs/dbraw/zinc/35/51/73/561355173.db2.gz IMOCNIQZEFTLCM-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1CN(C)C ZINC000194588149 548501098 /nfs/dbraw/zinc/50/10/98/548501098.db2.gz SUWXBHYBLUOJNN-UHFFFAOYSA-N -1 1 365.430 2.095 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c(C)c1 ZINC000194727987 548522149 /nfs/dbraw/zinc/52/21/49/548522149.db2.gz GTWWFZZOUQFCAU-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM CCC(C)(C)NC(=O)CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195113961 548579654 /nfs/dbraw/zinc/57/96/54/548579654.db2.gz JCWMULYBPXMLLV-UHFFFAOYSA-N -1 1 370.862 2.204 20 0 FEADMM CCC(C)(C)NC(=O)CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113961 548579657 /nfs/dbraw/zinc/57/96/57/548579657.db2.gz JCWMULYBPXMLLV-UHFFFAOYSA-N -1 1 370.862 2.204 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)no1 ZINC000195157107 548586421 /nfs/dbraw/zinc/58/64/21/548586421.db2.gz AEBOMMXNQPAEJX-UHFFFAOYSA-N -1 1 367.456 2.157 20 0 FEADMM CCCCc1nc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)no1 ZINC000195157107 548586426 /nfs/dbraw/zinc/58/64/26/548586426.db2.gz AEBOMMXNQPAEJX-UHFFFAOYSA-N -1 1 367.456 2.157 20 0 FEADMM NS(=O)(=O)c1cc(F)cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486931525 561359841 /nfs/dbraw/zinc/35/98/41/561359841.db2.gz YJMVSQVUPTZDTA-UHFFFAOYSA-N -1 1 359.766 2.476 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(CCO)CC1CCCCC1 ZINC000487208531 561365980 /nfs/dbraw/zinc/36/59/80/561365980.db2.gz 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C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)N1CCC[C@H](C)C1 ZINC000248892689 549523702 /nfs/dbraw/zinc/52/37/02/549523702.db2.gz SXIFTRKTCWGWFS-NWDGAFQWSA-N -1 1 374.890 2.437 20 0 FEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000490013196 561424615 /nfs/dbraw/zinc/42/46/15/561424615.db2.gz ZYKYXFNVUGGWMF-PIGZYNQJSA-N -1 1 357.385 2.096 20 0 FEADMM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000490399715 561432456 /nfs/dbraw/zinc/43/24/56/561432456.db2.gz PRTDMGCCGMTXSN-CQSZACIVSA-N -1 1 371.437 2.319 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC000263372411 549897985 /nfs/dbraw/zinc/89/79/85/549897985.db2.gz VTAHZJFBCZAKTB-XPKDYRNWSA-N -1 1 351.422 2.181 20 0 FEADMM CSc1n[nH]c(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)n1 ZINC000263869023 549948112 /nfs/dbraw/zinc/94/81/12/549948112.db2.gz LQLYROFIHJHDFW-UHFFFAOYSA-N -1 1 351.476 2.330 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)CCC(=O)OC(C)(C)C)c(=O)[n-]1 ZINC000268376072 550056069 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C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)co1 ZINC000280361042 550985194 /nfs/dbraw/zinc/98/51/94/550985194.db2.gz XQPIIEQTLYPBNM-WFASDCNBSA-N -1 1 366.414 2.393 20 0 FEADMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280505863 551001555 /nfs/dbraw/zinc/00/15/55/551001555.db2.gz DGWBZHXWBNHBTC-ZETCQYMHSA-N -1 1 357.234 2.278 20 0 FEADMM C[C@H]1CN(c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cn2)CCO1 ZINC000280669118 551019634 /nfs/dbraw/zinc/01/96/34/551019634.db2.gz BIAKEEYRKJAPBD-NSHDSACASA-N -1 1 363.364 2.221 20 0 FEADMM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000280840545 551037933 /nfs/dbraw/zinc/03/79/33/551037933.db2.gz APGHRFCKVBZCJB-UHFFFAOYSA-N -1 1 353.400 2.057 20 0 FEADMM CCOc1cc(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)cc(Cl)c1[O-] ZINC000280893900 551043473 /nfs/dbraw/zinc/04/34/73/551043473.db2.gz YKIZZJWXVFSMKR-LBPRGKRZSA-N -1 1 354.834 2.433 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1OC ZINC000281329723 551085360 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COC(=O)c1ccc([O-])c(NC(=O)CCn2c(C)c(C)sc2=O)c1 ZINC000282779253 551269583 /nfs/dbraw/zinc/26/95/83/551269583.db2.gz MEWVHQWPGTVSEA-UHFFFAOYSA-N -1 1 350.396 2.048 20 0 FEADMM CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282912096 551284499 /nfs/dbraw/zinc/28/44/99/551284499.db2.gz MWANKIZAXDATPI-HIFRSBDPSA-N -1 1 358.442 2.395 20 0 FEADMM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282912110 551284567 /nfs/dbraw/zinc/28/45/67/551284567.db2.gz MWANKIZAXDATPI-ZFWWWQNUSA-N -1 1 358.442 2.395 20 0 FEADMM O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282946471 551288341 /nfs/dbraw/zinc/28/83/41/551288341.db2.gz QBKAUHJCTFVPBV-AWEZNQCLSA-N -1 1 365.393 2.305 20 0 FEADMM CC(C)(C)c1ccccc1OCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282953459 551289426 /nfs/dbraw/zinc/28/94/26/551289426.db2.gz QSUZTJAIGGXWIR-ZDUSSCGKSA-N -1 1 358.442 2.181 20 0 FEADMM O=C(c1csc(-c2ccccc2F)n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283027891 551299979 /nfs/dbraw/zinc/29/99/79/551299979.db2.gz YBZDMPVEKMXYDF-SNVBAGLBSA-N -1 1 373.413 2.380 20 0 FEADMM O=C(CCSc1ccccc1F)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283039484 551301883 /nfs/dbraw/zinc/30/18/83/551301883.db2.gz ZIBQAYFVDGRVAP-LLVKDONJSA-N -1 1 350.419 2.126 20 0 FEADMM O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000283371624 551355487 /nfs/dbraw/zinc/35/54/87/551355487.db2.gz JNFBRBTYKZQNJE-UHFFFAOYSA-N -1 1 369.450 2.231 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)cc1F ZINC000498020655 561514056 /nfs/dbraw/zinc/51/40/56/561514056.db2.gz QGGKSYOKGIACLQ-UHFFFAOYSA-N -1 1 362.342 2.110 20 0 FEADMM O=S(=O)([N-]CCCOC1CCOCC1)c1cc(Cl)ccc1F ZINC000284157756 551494302 /nfs/dbraw/zinc/49/43/02/551494302.db2.gz FMOLDFBKTGCDLX-UHFFFAOYSA-N -1 1 351.827 2.343 20 0 FEADMM C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284428644 551546861 /nfs/dbraw/zinc/54/68/61/551546861.db2.gz YKMKCXWPMPUBAD-CHWSQXEVSA-N -1 1 367.409 2.118 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000498711269 561532555 /nfs/dbraw/zinc/53/25/55/561532555.db2.gz SPEPGWVWCWWESS-AWEZNQCLSA-N -1 1 353.488 2.005 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000285344470 551741400 /nfs/dbraw/zinc/74/14/00/551741400.db2.gz GZZHLMLHATYLFX-UHFFFAOYSA-N -1 1 360.501 2.251 20 0 FEADMM Cc1nc2sc3c(c2c(N2CCC[C@@H](c4nc(=O)[n-][nH]4)C2)n1)CCC3 ZINC000285617799 551783843 /nfs/dbraw/zinc/78/38/43/551783843.db2.gz MPMXELHJAVQTDT-SNVBAGLBSA-N -1 1 356.455 2.284 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000285856571 551819604 /nfs/dbraw/zinc/81/96/04/551819604.db2.gz HVSBOGMAJJYJQN-HNNXBMFYSA-N -1 1 356.216 2.176 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCCO1 ZINC000285863473 551820616 /nfs/dbraw/zinc/82/06/16/551820616.db2.gz QFDYNJZSAFZZCX-JKSUJKDBSA-N -1 1 358.442 2.154 20 0 FEADMM CCn1cnnc1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000285968856 551833042 /nfs/dbraw/zinc/83/30/42/551833042.db2.gz WIYDENVKIDZXEV-UHFFFAOYSA-N -1 1 373.291 2.367 20 0 FEADMM COc1ccsc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000286845895 551932695 /nfs/dbraw/zinc/93/26/95/551932695.db2.gz XAULJKPGQNNCLS-CYBMUJFWSA-N -1 1 358.460 2.477 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)ccnc1-2 ZINC000287525765 552015471 /nfs/dbraw/zinc/01/54/71/552015471.db2.gz IKMAMAKMECGQNI-QBEHFZKZSA-N -1 1 351.410 2.241 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3ccnc(N4CCCCC4)c3)ccnc1-2 ZINC000287685593 552034107 /nfs/dbraw/zinc/03/41/07/552034107.db2.gz QYTJNFDAARADQG-JLPGSUDCSA-N -1 1 365.441 2.049 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3ccc(OC4CCCC4)nc3)ccnc1-2 ZINC000287825527 552051812 /nfs/dbraw/zinc/05/18/12/552051812.db2.gz ZFAVTQQZAIOIPO-JLPGSUDCSA-N -1 1 366.425 2.380 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCSCC(C)C)c(Br)n1C ZINC000287923167 552063718 /nfs/dbraw/zinc/06/37/18/552063718.db2.gz UQDZWQPCRSPCMD-UHFFFAOYSA-N -1 1 370.338 2.159 20 0 FEADMM O=S(=O)(Cc1ccccc1Cl)[N-][C@H]1COc2ccccc2[C@@H]1O ZINC000288308281 552130322 /nfs/dbraw/zinc/13/03/22/552130322.db2.gz DSUMUUWQQPLISA-HOCLYGCPSA-N -1 1 353.827 2.254 20 0 FEADMM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289308353 552299166 /nfs/dbraw/zinc/29/91/66/552299166.db2.gz JMTKHCIRUUOCSY-KRWDZBQOSA-N -1 1 357.353 2.102 20 0 FEADMM Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nc2ccccc21 ZINC000289502812 552331930 /nfs/dbraw/zinc/33/19/30/552331930.db2.gz QBZHNRGZJWPLFC-LBPRGKRZSA-N -1 1 354.376 2.464 20 0 FEADMM O=C([N-]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)C(F)(F)F ZINC000289511966 552333215 /nfs/dbraw/zinc/33/32/15/552333215.db2.gz RCDODMYGHMNQQS-CYBMUJFWSA-N -1 1 358.360 2.348 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)Cc2c(F)cccc2F)no1 ZINC000289559095 552340841 /nfs/dbraw/zinc/34/08/41/552340841.db2.gz NONPWFREADBJTE-SECBINFHSA-N -1 1 361.370 2.065 20 0 FEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)s1 ZINC000289558112 552340908 /nfs/dbraw/zinc/34/09/08/552340908.db2.gz OTKCHZJFBVALLA-UHFFFAOYSA-N -1 1 359.860 2.435 20 0 FEADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000290465349 552483105 /nfs/dbraw/zinc/48/31/05/552483105.db2.gz LMXGKTACKBTTQP-NVVZYBJKSA-N -1 1 374.407 2.434 20 0 FEADMM COc1cc(OC)cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290500343 552489122 /nfs/dbraw/zinc/48/91/22/552489122.db2.gz YEGCKMKYSVQGMT-NSHDSACASA-N -1 1 374.359 2.235 20 0 FEADMM COc1ccc(C2CSC(N=CC(F)(F)F)=NN2)c2occ([O-])c21 ZINC000290590820 552503568 /nfs/dbraw/zinc/50/35/68/552503568.db2.gz QMGRHEDUINRBQD-UHFFFAOYSA-N -1 1 359.329 2.229 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cc3n(n2)CCCC3)C1)C(F)(F)F ZINC000290603320 552505212 /nfs/dbraw/zinc/50/52/12/552505212.db2.gz HKHRIBJJEPITFB-LLVKDONJSA-N -1 1 373.379 2.142 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)C(F)(F)F ZINC000291168443 552595566 /nfs/dbraw/zinc/59/55/66/552595566.db2.gz RMHOBWKBMQOMPV-SNVBAGLBSA-N -1 1 354.332 2.094 20 0 FEADMM Cc1csc(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000291179759 552596660 /nfs/dbraw/zinc/59/66/60/552596660.db2.gz RSMQLNHVIITRRK-JTQLQIEISA-N -1 1 364.393 2.052 20 0 FEADMM COc1ccc(C[C@@](C)(O)CNC(=O)c2ccc([O-])cc2F)cc1OC ZINC000291760653 552659214 /nfs/dbraw/zinc/65/92/14/552659214.db2.gz CYVIIRXFHRGCAX-LJQANCHMSA-N -1 1 363.385 2.272 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H]1OCCc2sccc21 ZINC000291908084 552673701 /nfs/dbraw/zinc/67/37/01/552673701.db2.gz JXNLLTUSLIUXJW-GZMMTYOYSA-N -1 1 361.876 2.116 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2nc(C)cs2)c1 ZINC000291960502 552678921 /nfs/dbraw/zinc/67/89/21/552678921.db2.gz FTVHIDOYRYQDJX-UHFFFAOYSA-N -1 1 369.468 2.027 20 0 FEADMM CC[C@H]1[C@@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCN1C(=O)OC(C)(C)C ZINC000292416167 552724934 /nfs/dbraw/zinc/72/49/34/552724934.db2.gz SWKULVVICXCACJ-VPKKHLJUSA-N -1 1 373.457 2.316 20 0 FEADMM O=S(=O)([N-]Cc1cccc(N2CCOCC2)c1)c1cccc(F)c1F ZINC000292506897 552733283 /nfs/dbraw/zinc/73/32/83/552733283.db2.gz GMHYVOXZGWBVCE-UHFFFAOYSA-N -1 1 368.405 2.280 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000292775765 552757488 /nfs/dbraw/zinc/75/74/88/552757488.db2.gz JFBLEJXUXVVMIY-OAHLLOKOSA-N -1 1 356.426 2.121 20 0 FEADMM COc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1NS(C)(=O)=O ZINC000292800891 552759814 /nfs/dbraw/zinc/75/98/14/552759814.db2.gz NIHXHWMJMWQSTD-UHFFFAOYSA-N -1 1 366.443 2.340 20 0 FEADMM COc1ccc(NC(=O)c2c[nH]nc2C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000292800891 552759815 /nfs/dbraw/zinc/75/98/15/552759815.db2.gz NIHXHWMJMWQSTD-UHFFFAOYSA-N -1 1 366.443 2.340 20 0 FEADMM COc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000292800891 552759817 /nfs/dbraw/zinc/75/98/17/552759817.db2.gz NIHXHWMJMWQSTD-UHFFFAOYSA-N -1 1 366.443 2.340 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1COc2ccccc2[C@H]1O ZINC000292877171 552767587 /nfs/dbraw/zinc/76/75/87/552767587.db2.gz AGNIHDGIIUGIHU-SWLSCSKDSA-N -1 1 357.410 2.013 20 0 FEADMM CCC[C@]1(CO)CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000293004557 552779602 /nfs/dbraw/zinc/77/96/02/552779602.db2.gz LKTZGYGBYHSIQN-FQEVSTJZSA-N -1 1 370.453 2.106 20 0 FEADMM Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293799931 552857530 /nfs/dbraw/zinc/85/75/30/552857530.db2.gz BYECMJDPBBNXOH-GFCCVEGCSA-N -1 1 353.382 2.081 20 0 FEADMM COCC(C)(C)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000294116807 552883353 /nfs/dbraw/zinc/88/33/53/552883353.db2.gz NSVSFMGMPWBLRU-UHFFFAOYSA-N -1 1 358.442 2.369 20 0 FEADMM C[C@H]1C[C@@H](O)CCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000294172558 552887591 /nfs/dbraw/zinc/88/75/91/552887591.db2.gz MLEUQXSASPKIOE-YOEHRIQHSA-N -1 1 374.462 2.473 20 0 FEADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000294475341 552908941 /nfs/dbraw/zinc/90/89/41/552908941.db2.gz RHHQXDCRVABZLB-CJNGLKHVSA-N -1 1 370.453 2.446 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000295139418 552962435 /nfs/dbraw/zinc/96/24/35/552962435.db2.gz ZGHHKGUBICFKHZ-OAHLLOKOSA-N -1 1 354.435 2.102 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc([C@@H]4CCOC4)cc3)cc21 ZINC000295160888 552964979 /nfs/dbraw/zinc/96/49/79/552964979.db2.gz DKBXZUOLUDLTDR-OAHLLOKOSA-N -1 1 372.446 2.277 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3cncc(C)c3)CC2)n1 ZINC000295276597 552980600 /nfs/dbraw/zinc/98/06/00/552980600.db2.gz HZXIUYDBTAXKSI-UHFFFAOYSA-N -1 1 371.441 2.024 20 0 FEADMM O=C(NCc1n[nH]c(C2CC2)n1)c1cc(Br)c(F)cc1[O-] ZINC000295445882 553008094 /nfs/dbraw/zinc/00/80/94/553008094.db2.gz ODUBKRRHFMTEIR-UHFFFAOYSA-N -1 1 355.167 2.219 20 0 FEADMM COCCn1nc(C)c([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c1C ZINC000295706348 553047858 /nfs/dbraw/zinc/04/78/58/553047858.db2.gz FUDIIMYUJVFPHT-INIZCTEOSA-N -1 1 367.471 2.276 20 0 FEADMM Cc1c(Br)ccc(O)c1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000296300753 553137125 /nfs/dbraw/zinc/13/71/25/553137125.db2.gz ZTOQXSDXTRASSS-JTQLQIEISA-N -1 1 357.248 2.370 20 0 FEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)CC2CC(F)(F)C2)c1OC ZINC000296778851 553210306 /nfs/dbraw/zinc/21/03/06/553210306.db2.gz ABIWKYGDHWZODD-UHFFFAOYSA-N -1 1 365.354 2.189 20 0 FEADMM CNC(=O)c1[nH]nnc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000297829369 553344159 /nfs/dbraw/zinc/34/41/59/553344159.db2.gz VQAMDRPQALJZIC-DTWKUNHWSA-N -1 1 354.197 2.213 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC)c1ccc(OC)cc1 ZINC000298121978 553387041 /nfs/dbraw/zinc/38/70/41/553387041.db2.gz UDQDEZJYMRKMPZ-CQSZACIVSA-N -1 1 367.427 2.025 20 0 FEADMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000298515747 553434966 /nfs/dbraw/zinc/43/49/66/553434966.db2.gz YZRYPVBPHIIIFM-MRVPVSSYSA-N -1 1 359.300 2.054 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@@H](O)C3)cc2)c1C ZINC000298529182 553436697 /nfs/dbraw/zinc/43/66/97/553436697.db2.gz VLOBKCTUDVOEHS-IYBDPMFKSA-N -1 1 374.462 2.357 20 0 FEADMM COc1ccc(NC(=O)NCCc2cccs2)cc1[N-]S(C)(=O)=O ZINC000298663220 553455893 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Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000299577053 553583877 /nfs/dbraw/zinc/58/38/77/553583877.db2.gz CUROJHYFDNBDPH-IAGOWNOFSA-N -1 1 368.437 2.265 20 0 FEADMM COc1ccc(NC(=O)NC2CCSCC2)cc1[N-]S(C)(=O)=O ZINC000299603804 553587573 /nfs/dbraw/zinc/58/75/73/553587573.db2.gz KCDGJSMUQOAIIS-UHFFFAOYSA-N -1 1 359.473 2.084 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H]1C(F)(F)F ZINC000299746636 553610237 /nfs/dbraw/zinc/61/02/37/553610237.db2.gz YTPXJNZXBAJSCQ-GHMZBOCLSA-N -1 1 353.300 2.412 20 0 FEADMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2c(C)cnn2C)cc1)C(=O)[O-] ZINC000504523569 561659249 /nfs/dbraw/zinc/65/92/49/561659249.db2.gz FHPKQCOFXLKNLP-ZDUSSCGKSA-N -1 1 351.428 2.183 20 0 FEADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C ZINC000505045245 561665645 /nfs/dbraw/zinc/66/56/45/561665645.db2.gz VPJNGLZZWMSKDY-UHFFFAOYSA-N -1 1 374.418 2.339 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C(F)F)c1c(Cl)cccc1Br ZINC000310796383 553754463 /nfs/dbraw/zinc/75/44/63/553754463.db2.gz WOMOROVAKJGYNU-ZETCQYMHSA-N -1 1 364.595 2.007 20 0 FEADMM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000324586091 553772485 /nfs/dbraw/zinc/77/24/85/553772485.db2.gz CJSLFBJWTFEPNT-CYBMUJFWSA-N -1 1 359.325 2.078 20 0 FEADMM CNC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1Cl ZINC000324817519 553773973 /nfs/dbraw/zinc/77/39/73/553773973.db2.gz VCDBSLKUWGOPCE-UHFFFAOYSA-N -1 1 372.786 2.100 20 0 FEADMM COc1ccc(OC)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000325088490 553774777 /nfs/dbraw/zinc/77/47/77/553774777.db2.gz JSHQDLRBRFRECL-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(F)c1 ZINC000327378134 553788475 /nfs/dbraw/zinc/78/84/75/553788475.db2.gz XIDBVCDGBBJESZ-UHFFFAOYSA-N -1 1 364.354 2.209 20 0 FEADMM CCC(=O)N[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000505745657 561679272 /nfs/dbraw/zinc/67/92/72/561679272.db2.gz ZSVFXMOCRXUFOV-QGZVFWFLSA-N -1 1 356.378 2.385 20 0 FEADMM Cc1cc(C)n2[n-]c(=NC(=O)NCc3ccc(F)c(CN(C)C)c3)nc2n1 ZINC000604421586 553876704 /nfs/dbraw/zinc/87/67/04/553876704.db2.gz PLQCDWDICZTERE-UHFFFAOYSA-N -1 1 371.420 2.264 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000506686445 561705969 /nfs/dbraw/zinc/70/59/69/561705969.db2.gz FSSYSMLNFRCOHK-UHFFFAOYSA-N -1 1 373.434 2.345 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1OC ZINC000507007094 561713903 /nfs/dbraw/zinc/71/39/03/561713903.db2.gz LFFQSBZMTJRUPR-UHFFFAOYSA-N -1 1 363.391 2.313 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000506784808 561708491 /nfs/dbraw/zinc/70/84/91/561708491.db2.gz XLSGFJJMDCDFNE-UHFFFAOYSA-N -1 1 368.842 2.429 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2OC)n[nH]1 ZINC000506831631 561709605 /nfs/dbraw/zinc/70/96/05/561709605.db2.gz ZCGUOIMQTQKISG-UHFFFAOYSA-N -1 1 367.427 2.348 20 0 FEADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000507246768 561722362 /nfs/dbraw/zinc/72/23/62/561722362.db2.gz KIWRJMFCTILTKP-LBPRGKRZSA-N -1 1 355.329 2.195 20 0 FEADMM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000330403442 554116807 /nfs/dbraw/zinc/11/68/07/554116807.db2.gz CGGZCOCDVABSPI-UHFFFAOYSA-N -1 1 360.426 2.280 20 0 FEADMM CC(C)CN(C(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000330532050 554134182 /nfs/dbraw/zinc/13/41/82/554134182.db2.gz SXEFGPSIHCFEJV-UHFFFAOYSA-N -1 1 366.480 2.252 20 0 FEADMM CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000330537254 554134632 /nfs/dbraw/zinc/13/46/32/554134632.db2.gz XIMIJZMRZCRHFT-LLVKDONJSA-N -1 1 364.464 2.008 20 0 FEADMM O=S(=O)([N-]c1nc(Cc2cccc(F)c2)n[nH]1)c1ccc2c(c1)CCO2 ZINC000508105180 561752018 /nfs/dbraw/zinc/75/20/18/561752018.db2.gz WAXYJUIJGKJZKD-UHFFFAOYSA-N -1 1 374.397 2.270 20 0 FEADMM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000331016684 554201352 /nfs/dbraw/zinc/20/13/52/554201352.db2.gz ZOQUSZCWDXJPAE-OLZOCXBDSA-N -1 1 372.487 2.122 20 0 FEADMM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000331222630 554233165 /nfs/dbraw/zinc/23/31/65/554233165.db2.gz KXYJUAHHNGTWNL-CYBMUJFWSA-N -1 1 372.245 2.200 20 0 FEADMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(C)C ZINC000331240572 554235542 /nfs/dbraw/zinc/23/55/42/554235542.db2.gz WWIUDRUDEBTLLU-JTQLQIEISA-N -1 1 357.234 2.181 20 0 FEADMM CCC[C@@H](NC(=O)CCC(=O)c1ccc(OC)cc1Cl)c1nn[n-]n1 ZINC000509025094 561781952 /nfs/dbraw/zinc/78/19/52/561781952.db2.gz UAIZIIOJQPDGCN-CYBMUJFWSA-N -1 1 365.821 2.482 20 0 FEADMM C[C@H]1[C@H](C)N(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)CCN1C ZINC000331586310 554289651 /nfs/dbraw/zinc/28/96/51/554289651.db2.gz OBDVKYGFMUEMHX-RYUDHWBXSA-N -1 1 363.462 2.824 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)c1 ZINC000509103175 561785054 /nfs/dbraw/zinc/78/50/54/561785054.db2.gz NHXWKTVEIDBQNJ-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM Cn1cc(Oc2ccccc2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cn1 ZINC000509266437 561793052 /nfs/dbraw/zinc/79/30/52/561793052.db2.gz YHXWPIVWVISARD-UHFFFAOYSA-N -1 1 369.381 2.321 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc(Cl)c1[O-] ZINC000331857203 554331813 /nfs/dbraw/zinc/33/18/13/554331813.db2.gz FIKGYIWDKSOLJM-BNOWGMLFSA-N -1 1 355.818 2.056 20 0 FEADMM CCOc1ncc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1Cl ZINC000509280543 561793513 /nfs/dbraw/zinc/79/35/13/561793513.db2.gz VTGLVJITWXTIAA-UHFFFAOYSA-N -1 1 352.778 2.242 20 0 FEADMM CC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000331905929 554343662 /nfs/dbraw/zinc/34/36/62/554343662.db2.gz XBPSKPLFWYXZAD-ZFWWWQNUSA-N -1 1 362.474 2.049 20 0 FEADMM CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509412888 561798370 /nfs/dbraw/zinc/79/83/70/561798370.db2.gz AOUQLKYEYKXPGY-CYBMUJFWSA-N -1 1 370.254 2.219 20 0 FEADMM CC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509412890 561798374 /nfs/dbraw/zinc/79/83/74/561798374.db2.gz AOUQLKYEYKXPGY-ZDUSSCGKSA-N -1 1 370.254 2.219 20 0 FEADMM Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1 ZINC000331935798 554348412 /nfs/dbraw/zinc/34/84/12/554348412.db2.gz QIQUOMZGGKBFJL-LBPRGKRZSA-N -1 1 363.512 2.258 20 0 FEADMM Cc1oc(Br)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000331937450 554349041 /nfs/dbraw/zinc/34/90/41/554349041.db2.gz OWGHYODUUOWSRV-UHFFFAOYSA-N -1 1 356.176 2.459 20 0 FEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc(Cl)c1[O-] ZINC000331972173 554355078 /nfs/dbraw/zinc/35/50/78/554355078.db2.gz WSOGPDMOEMGVAE-BNOWGMLFSA-N -1 1 355.818 2.056 20 0 FEADMM COc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc(Cl)c1[O-] ZINC000332018523 554364609 /nfs/dbraw/zinc/36/46/09/554364609.db2.gz HXJHQILEMPHGIW-VIFPVBQESA-N -1 1 350.806 2.473 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1nccs1 ZINC000509724333 561811603 /nfs/dbraw/zinc/81/16/03/561811603.db2.gz LRWMTIMNJWUZNF-UHFFFAOYSA-N -1 1 355.423 2.258 20 0 FEADMM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000509753398 561812836 /nfs/dbraw/zinc/81/28/36/561812836.db2.gz ZEZSWOKHRVWIIL-UHFFFAOYSA-N -1 1 354.378 2.444 20 0 FEADMM N=c1nc(N2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)s[n-]1 ZINC000332278749 554416033 /nfs/dbraw/zinc/41/60/33/554416033.db2.gz HAULXVICEDIGFX-UHFFFAOYSA-N -1 1 372.281 2.318 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)cc(Cl)c1[O-] ZINC000332467647 554451482 /nfs/dbraw/zinc/45/14/82/554451482.db2.gz WNDLNDUGAHGOGW-BXUZGUMPSA-N -1 1 365.817 2.438 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C)cc1 ZINC000332503144 554457677 /nfs/dbraw/zinc/45/76/77/554457677.db2.gz ZZFJQIYJLVVLQI-GDBMZVCRSA-N -1 1 374.462 2.391 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1C)OCO2 ZINC000510103581 561825124 /nfs/dbraw/zinc/82/51/24/561825124.db2.gz RGFAWHQWSUMJLS-UHFFFAOYSA-N -1 1 365.363 2.231 20 0 FEADMM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1ccc(Br)o1 ZINC000332545713 554468823 /nfs/dbraw/zinc/46/88/23/554468823.db2.gz GCNLCRDPHIITBP-LLVKDONJSA-N -1 1 368.249 2.254 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc(OC)cc3)[nH]c21 ZINC000510251587 561829914 /nfs/dbraw/zinc/82/99/14/561829914.db2.gz YNXFDAZVMBLGNG-UHFFFAOYSA-N -1 1 361.379 2.159 20 0 FEADMM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)CC2 ZINC000332670542 554493868 /nfs/dbraw/zinc/49/38/68/554493868.db2.gz RRZJQCOVGBYIOC-NSHDSACASA-N -1 1 372.853 2.487 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(Br)ccc1F ZINC000511042927 561854498 /nfs/dbraw/zinc/85/44/98/561854498.db2.gz LEORSNZSMSWZTI-UHFFFAOYSA-N -1 1 368.162 2.057 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Oc2ccccn2)cc1 ZINC000511060667 561855229 /nfs/dbraw/zinc/85/52/29/561855229.db2.gz ULODIULCGIVAEA-UHFFFAOYSA-N -1 1 364.361 2.343 20 0 FEADMM CCOc1cc(-c2nc(-c3cnc(OC)nc3N)no2)cc(Cl)c1[O-] ZINC000350574254 554798779 /nfs/dbraw/zinc/79/87/79/554798779.db2.gz HEPWAQBOXYQWGD-UHFFFAOYSA-N -1 1 363.761 2.542 20 0 FEADMM C[C@@]1(c2ccc(-c3noc(-c4ccc([O-])cc4F)n3)cc2)NC(=O)NC1=O ZINC000350586010 554800265 /nfs/dbraw/zinc/80/02/65/554800265.db2.gz QUVIXYMOMVVIRY-SFHVURJKSA-N -1 1 368.324 2.303 20 0 FEADMM CNS(=O)(=O)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)o1 ZINC000350809934 554815177 /nfs/dbraw/zinc/81/51/77/554815177.db2.gz CGWNQUXAIIUUHL-UHFFFAOYSA-N -1 1 353.331 2.058 20 0 FEADMM Cc1ncccc1Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000351236864 554846350 /nfs/dbraw/zinc/84/63/50/554846350.db2.gz QNXUFIFNXNQLRD-NSHDSACASA-N -1 1 364.452 2.465 20 0 FEADMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cnn(-c2ccccc2)c1 ZINC000361089245 554904068 /nfs/dbraw/zinc/90/40/68/554904068.db2.gz XVCSHLITYGQQMD-UHFFFAOYSA-N -1 1 366.406 2.458 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3CC[C@@H]3C)c2)n1 ZINC000511891408 561884458 /nfs/dbraw/zinc/88/44/58/561884458.db2.gz ZJPGWXOHOGAABA-SMDDNHRTSA-N -1 1 357.414 2.246 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1csc(Br)c1)c2=O ZINC000511917194 561885388 /nfs/dbraw/zinc/88/53/88/561885388.db2.gz SLTKDCTXYFIORE-UHFFFAOYSA-N -1 1 367.228 2.428 20 0 FEADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000511999943 561888563 /nfs/dbraw/zinc/88/85/63/561888563.db2.gz HVBRHTKFXQDIQJ-APPDUMDISA-N -1 1 370.409 2.189 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)s1 ZINC000364124494 555254852 /nfs/dbraw/zinc/25/48/52/555254852.db2.gz ZJDPGWOTXCUIHO-ZDUSSCGKSA-N -1 1 372.512 2.014 20 0 FEADMM COCCOc1ncccc1C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616010767 555262926 /nfs/dbraw/zinc/26/29/26/555262926.db2.gz QWYUMIZBODRKOP-UHFFFAOYSA-N -1 1 355.192 2.153 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000364308282 555288570 /nfs/dbraw/zinc/28/85/70/555288570.db2.gz UQKZATITCXETNV-HZPDHXFCSA-N -1 1 372.469 2.259 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2=O)cc1 ZINC000364341449 555294750 /nfs/dbraw/zinc/29/47/50/555294750.db2.gz SQISRDGEGNPDRE-UHFFFAOYSA-N -1 1 351.410 2.217 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N=c1cc([C@H]2C[C@H]2C)[nH][nH]1 ZINC000616442552 555306150 /nfs/dbraw/zinc/30/61/50/555306150.db2.gz BBPMJQCQEKPXGU-MFKMUULPSA-N -1 1 364.409 2.168 20 0 FEADMM Cc1ccc(-c2cc(=NC(=O)CCC(=O)N3CCC(O)CC3)[nH][n-]2)s1 ZINC000616811448 555341236 /nfs/dbraw/zinc/34/12/36/555341236.db2.gz QQHSEJQQDKUGGQ-UHFFFAOYSA-N -1 1 362.455 2.149 20 0 FEADMM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4nc(S(C)(=O)=O)n[n-]4)cc3c2C1 ZINC000512618617 561910405 /nfs/dbraw/zinc/91/04/05/561910405.db2.gz KJKAOSJNZONMQM-SECBINFHSA-N -1 1 373.438 2.067 20 0 FEADMM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4nnc(S(C)(=O)=O)[n-]4)cc3c2C1 ZINC000512618617 561910407 /nfs/dbraw/zinc/91/04/07/561910407.db2.gz KJKAOSJNZONMQM-SECBINFHSA-N -1 1 373.438 2.067 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H](O)C1CCCCC1 ZINC000364840139 555412873 /nfs/dbraw/zinc/41/28/73/555412873.db2.gz DNRMOTCGLKYMST-KGLIPLIRSA-N -1 1 367.812 2.139 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)O ZINC000512712606 561913221 /nfs/dbraw/zinc/91/32/21/561913221.db2.gz SJLYRFRRIIAHPV-OAHLLOKOSA-N -1 1 358.442 2.151 20 0 FEADMM Cn1cc([C@H]2[C@@H](CN=c3[n-]nc(C(F)(F)F)s3)CCCN2C)cn1 ZINC000364904426 555431992 /nfs/dbraw/zinc/43/19/92/555431992.db2.gz HOPXVYOITQSUIS-MWLCHTKSSA-N -1 1 360.409 2.785 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000364967925 555453037 /nfs/dbraw/zinc/45/30/37/555453037.db2.gz WKRQKQNZJHSNNL-UHFFFAOYSA-N -1 1 372.450 2.472 20 0 FEADMM CO[C@@H]1CC[C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000365072396 555478652 /nfs/dbraw/zinc/47/86/52/555478652.db2.gz RGTWTZUNHMNRRN-HUUCEWRRSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)no1 ZINC000365366061 555555086 /nfs/dbraw/zinc/55/50/86/555555086.db2.gz ZPHLNVNAXMOZCD-UHFFFAOYSA-N -1 1 368.802 2.306 20 0 FEADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)n2)o1 ZINC000365985713 555718211 /nfs/dbraw/zinc/71/82/11/555718211.db2.gz CZEUYXUZWWLGMG-CYBMUJFWSA-N -1 1 351.366 2.181 20 0 FEADMM CCN(CC[N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccccc1C ZINC000513801134 561950587 /nfs/dbraw/zinc/95/05/87/561950587.db2.gz PWPDWUIHEVUFRH-UHFFFAOYSA-N -1 1 366.439 2.179 20 0 FEADMM COC(=O)c1ccc(=NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)[n-]n1 ZINC000619628965 555812842 /nfs/dbraw/zinc/81/28/42/555812842.db2.gz XBERSRWPPAPVDM-CQSZACIVSA-N -1 1 373.413 2.123 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)c1 ZINC000513850222 561952577 /nfs/dbraw/zinc/95/25/77/561952577.db2.gz PKDQUCYVDWQAPP-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1-c1ccccc1Cl ZINC000366639240 555896930 /nfs/dbraw/zinc/89/69/30/555896930.db2.gz LUBREQKSGKXSLX-GFCCVEGCSA-N -1 1 371.832 2.367 20 0 FEADMM O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366708021 555914494 /nfs/dbraw/zinc/91/44/94/555914494.db2.gz FMWWJUIXHYAACK-GFCCVEGCSA-N -1 1 369.347 2.437 20 0 FEADMM COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1-c1ccn(C)n1 ZINC000367423580 556044497 /nfs/dbraw/zinc/04/44/97/556044497.db2.gz VBKLIUKPXXEASG-UHFFFAOYSA-N -1 1 366.303 2.485 20 0 FEADMM CCC[C@@H](C)[C@H](CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000514791403 561979909 /nfs/dbraw/zinc/97/99/09/561979909.db2.gz RAQSYKZOPNZZFK-WBMJQRKESA-N -1 1 358.442 2.008 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000367607432 556095755 /nfs/dbraw/zinc/09/57/55/556095755.db2.gz HUQWITHRWXGYTB-GFCCVEGCSA-N -1 1 367.471 2.408 20 0 FEADMM COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)c1 ZINC000367723111 556123634 /nfs/dbraw/zinc/12/36/34/556123634.db2.gz RTMMTYHSCNSWKV-QMTHXVAHSA-N -1 1 351.428 2.346 20 0 FEADMM C[C@@H](O[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1 ZINC000367758856 556131787 /nfs/dbraw/zinc/13/17/87/556131787.db2.gz RRDGRYIJQKMNRG-DDUZABMNSA-N -1 1 356.426 2.139 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c(-c2nc[nH]n2)c1 ZINC000367965181 556183836 /nfs/dbraw/zinc/18/38/36/556183836.db2.gz LIVYVUXAQNUVLH-UHFFFAOYSA-N -1 1 372.406 2.208 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2C)c1 ZINC000367968399 556184110 /nfs/dbraw/zinc/18/41/10/556184110.db2.gz WYLVBPYLRPMVBB-UHFFFAOYSA-N -1 1 374.422 2.481 20 0 FEADMM C[C@H](O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368448389 556311863 /nfs/dbraw/zinc/31/18/63/556311863.db2.gz AAOGJAZUVJURQS-KSSFIOAISA-N -1 1 370.449 2.427 20 0 FEADMM COc1ccnc(N2CCCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000368869142 556433763 /nfs/dbraw/zinc/43/37/63/556433763.db2.gz ZFJSCTMOQLXVHL-UHFFFAOYSA-N -1 1 362.817 2.197 20 0 FEADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368954051 556458235 /nfs/dbraw/zinc/45/82/35/556458235.db2.gz CMWHNDNXMXJHJM-UHFFFAOYSA-N -1 1 363.421 2.059 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)COC3CCCCC3)CC2)n1 ZINC000369361473 556580536 /nfs/dbraw/zinc/58/05/36/556580536.db2.gz DYMDZIMAHDDYCD-UHFFFAOYSA-N -1 1 364.446 2.037 20 0 FEADMM CCc1nnc([C@H]2CN(C(=O)c3c([O-])cnc4ccccc43)CCO2)o1 ZINC000369608497 556646276 /nfs/dbraw/zinc/64/62/76/556646276.db2.gz GASMSOYLXNGUJH-CQSZACIVSA-N -1 1 354.366 2.100 20 0 FEADMM CN1CC[C@@H](CNC(=O)CSCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516290277 562038809 /nfs/dbraw/zinc/03/88/09/562038809.db2.gz MKTYIVPUAOCRGW-ZBEGNZNMSA-N -1 1 374.865 2.406 20 0 FEADMM CCC[C@H](NC(=O)Cc1coc(-c2ccc(F)c(F)c2)n1)c1nn[n-]n1 ZINC000370473862 556883414 /nfs/dbraw/zinc/88/34/14/556883414.db2.gz UWULEJKZUUFSIS-ZDUSSCGKSA-N -1 1 362.340 2.333 20 0 FEADMM COc1cc(NC(=O)Nc2cccnc2OC)ccc1[N-]S(C)(=O)=O ZINC000517318748 562085074 /nfs/dbraw/zinc/08/50/74/562085074.db2.gz JWSSIBIFIKIWOW-UHFFFAOYSA-N -1 1 366.399 2.114 20 0 FEADMM C[C@H](CCS(C)(=O)=O)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000517330650 562085409 /nfs/dbraw/zinc/08/54/09/562085409.db2.gz NIOBTWVMQKBUCV-SECBINFHSA-N -1 1 356.831 2.147 20 0 FEADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000517382530 562087839 /nfs/dbraw/zinc/08/78/39/562087839.db2.gz YMLURDSLRUDPQK-HIFRSBDPSA-N -1 1 363.389 2.291 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)sc1C ZINC000517476665 562091045 /nfs/dbraw/zinc/09/10/45/562091045.db2.gz MZHPVWXBUHFQGJ-ZBFHGGJFSA-N -1 1 370.471 2.344 20 0 FEADMM C[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)S(C)(=O)=O ZINC000518230089 562106858 /nfs/dbraw/zinc/10/68/58/562106858.db2.gz YROXEDCUYIQUHG-RXMQYKEDSA-N -1 1 356.625 2.180 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000371817830 557302676 /nfs/dbraw/zinc/30/26/76/557302676.db2.gz XZTWZIWFTILMPA-DGCLKSJQSA-N -1 1 368.227 2.365 20 0 FEADMM COCc1nsc(=N[C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)[n-]1 ZINC000371864210 557314486 /nfs/dbraw/zinc/31/44/86/557314486.db2.gz WQLLOHNJYAXGHF-ZWNOBZJWSA-N -1 1 353.517 2.194 20 0 FEADMM CC(C)n1nc2c(cc1=O)CN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000371933201 557332492 /nfs/dbraw/zinc/33/24/92/557332492.db2.gz YALMRFNIFLEFJV-UHFFFAOYSA-N -1 1 364.405 2.277 20 0 FEADMM COC(=O)c1ccc(OCC[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000518714024 562116861 /nfs/dbraw/zinc/11/68/61/562116861.db2.gz QUCKAULLMXFOAH-UHFFFAOYSA-N -1 1 371.361 2.109 20 0 FEADMM CCCCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372134496 557388347 /nfs/dbraw/zinc/38/83/47/557388347.db2.gz REUWMAFCDXTTFR-CYBMUJFWSA-N -1 1 359.430 2.407 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCSCC1 ZINC000372164719 557397046 /nfs/dbraw/zinc/39/70/46/557397046.db2.gz XSIRLNOJYBWFFV-CQSZACIVSA-N -1 1 362.495 2.251 20 0 FEADMM COc1ccsc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000519273944 562128275 /nfs/dbraw/zinc/12/82/75/562128275.db2.gz NDLJJVBQYNBPLE-UHFFFAOYSA-N -1 1 356.425 2.389 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000519146860 562125773 /nfs/dbraw/zinc/12/57/73/562125773.db2.gz BTLDHRGDCLDOLV-CYBMUJFWSA-N -1 1 371.846 2.234 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc21 ZINC000519305952 562128966 /nfs/dbraw/zinc/12/89/66/562128966.db2.gz DYKDAFSQJQTTPL-UHFFFAOYSA-N -1 1 356.403 2.250 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1C ZINC000373097618 557627603 /nfs/dbraw/zinc/62/76/03/557627603.db2.gz QEZCJTZSMJRUSH-UHFFFAOYSA-N -1 1 373.434 2.040 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCOC[C@@H]1C1CCC1 ZINC000520410999 562155815 /nfs/dbraw/zinc/15/58/15/562155815.db2.gz MTSIJFHJZNJFPQ-QGZVFWFLSA-N -1 1 368.437 2.123 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3c[n-]n4c3nccc4=O)[nH]c2c1 ZINC000520433777 562156475 /nfs/dbraw/zinc/15/64/75/562156475.db2.gz GIFVOBFGQNIPBR-OAHLLOKOSA-N -1 1 362.393 2.185 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2cccs2)o1 ZINC000374106772 557824594 /nfs/dbraw/zinc/82/45/94/557824594.db2.gz KTXIJPHXNMDRIQ-SNVBAGLBSA-N -1 1 372.493 2.180 20 0 FEADMM Cn1ncc2c1C[C@H](C(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)CC2 ZINC000374223174 557846069 /nfs/dbraw/zinc/84/60/69/557846069.db2.gz DJLDWRVBGHWPCB-MRXNPFEDSA-N -1 1 367.449 2.352 20 0 FEADMM Cn1ncc2c1C[C@@H](C(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)CC2 ZINC000374223173 557846174 /nfs/dbraw/zinc/84/61/74/557846174.db2.gz DJLDWRVBGHWPCB-INIZCTEOSA-N -1 1 367.449 2.352 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000374454094 557885957 /nfs/dbraw/zinc/88/59/57/557885957.db2.gz GLGZMLVBRVGRPY-CYBMUJFWSA-N -1 1 361.423 2.132 20 0 FEADMM O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000374549244 557898316 /nfs/dbraw/zinc/89/83/16/557898316.db2.gz KUCOPNJEBCVWGN-AWEZNQCLSA-N -1 1 359.813 2.477 20 0 FEADMM COc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)s1 ZINC000374652390 557912249 /nfs/dbraw/zinc/91/22/49/557912249.db2.gz GQTIVUWBXMINGC-LLVKDONJSA-N -1 1 371.426 2.701 20 0 FEADMM COc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)s1 ZINC000374652390 557912250 /nfs/dbraw/zinc/91/22/50/557912250.db2.gz GQTIVUWBXMINGC-LLVKDONJSA-N -1 1 371.426 2.701 20 0 FEADMM COC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1c[n-]c3[nH+]c(C)ccc3c1=O)C2 ZINC000374659118 557913206 /nfs/dbraw/zinc/91/32/06/557913206.db2.gz CXINOVCPTNRVQH-HXPMCKFVSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1c[n-]c3nc(C)ccc3c1=O)C2 ZINC000374659118 557913209 /nfs/dbraw/zinc/91/32/09/557913209.db2.gz CXINOVCPTNRVQH-HXPMCKFVSA-N -1 1 355.394 2.059 20 0 FEADMM O=C(N=c1ncn(C2CCCCC2)[n-]1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375096325 557977285 /nfs/dbraw/zinc/97/72/85/557977285.db2.gz FVSAUEBRVDHWKH-OAHLLOKOSA-N -1 1 366.429 2.813 20 0 FEADMM Cc1noc(C)c1CO[C@H]1CCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000375163060 557985824 /nfs/dbraw/zinc/98/58/24/557985824.db2.gz YCAGYKZIZYNXDJ-KRWDZBQOSA-N -1 1 359.426 2.130 20 0 FEADMM C[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000375223563 557994367 /nfs/dbraw/zinc/99/43/67/557994367.db2.gz DKEGPSJPKVCOQV-ZDUSSCGKSA-N -1 1 352.456 2.016 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(F)(c2ccccc2)C1 ZINC000376291553 558153416 /nfs/dbraw/zinc/15/34/16/558153416.db2.gz VQISHKMKNZCJOZ-UHFFFAOYSA-N -1 1 354.385 2.301 20 0 FEADMM C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc2ncncc2[n-]1 ZINC000376451391 558175088 /nfs/dbraw/zinc/17/50/88/558175088.db2.gz VKWRYVRKPSBBTM-LLVKDONJSA-N -1 1 354.395 2.074 20 0 FEADMM C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc2cncnc2[n-]1 ZINC000376451391 558175089 /nfs/dbraw/zinc/17/50/89/558175089.db2.gz VKWRYVRKPSBBTM-LLVKDONJSA-N -1 1 354.395 2.074 20 0 FEADMM C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc2c[n-]cnc-2n1 ZINC000376451391 558175090 /nfs/dbraw/zinc/17/50/90/558175090.db2.gz VKWRYVRKPSBBTM-LLVKDONJSA-N -1 1 354.395 2.074 20 0 FEADMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c(Cl)c1 ZINC000521708064 562182696 /nfs/dbraw/zinc/18/26/96/562182696.db2.gz KIWGPSZXEPZLLQ-UHFFFAOYSA-N -1 1 374.777 2.470 20 0 FEADMM Cn1[n-]cc2/c(=N/C(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)ccnc1-2 ZINC000376640237 558201532 /nfs/dbraw/zinc/20/15/32/558201532.db2.gz NEBNMIKPQBAHTH-WXUSHSQQSA-N -1 1 365.393 2.440 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NCc3ncc(-c4ccccc4)cn3)ccnc1-2 ZINC000376647401 558202790 /nfs/dbraw/zinc/20/27/90/558202790.db2.gz WXHMFJSAGFRBIO-XYGWBWBKSA-N -1 1 359.393 2.121 20 0 FEADMM CCC(C)(C)[C@H]1CCc2nc(NC(=O)NN3CC(=O)[N-]C3=O)sc2C1 ZINC000376722666 558213636 /nfs/dbraw/zinc/21/36/36/558213636.db2.gz PLYLSEGIONPJLR-VIFPVBQESA-N -1 1 365.459 2.273 20 0 FEADMM CN(CC(=O)[O-])C(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000376790852 558221660 /nfs/dbraw/zinc/22/16/60/558221660.db2.gz JNISIIOYGMQBPT-OAHLLOKOSA-N -1 1 357.410 2.097 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H]2CCCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377093120 558264407 /nfs/dbraw/zinc/26/44/07/558264407.db2.gz PLBAMIXDTHQNTK-CYDGBPFRSA-N -1 1 350.381 2.107 20 0 FEADMM Cc1oncc1CN1C[C@@H](F)C[C@H]1CN=c1[n-]c(C(F)(F)F)ns1 ZINC000377166178 558280337 /nfs/dbraw/zinc/28/03/37/558280337.db2.gz XBHQURIMJSYSNJ-UWVGGRQHSA-N -1 1 365.356 2.300 20 0 FEADMM Cc1cc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)on1 ZINC000522252634 562195072 /nfs/dbraw/zinc/19/50/72/562195072.db2.gz ZVEDDQKYIRXGDZ-UHFFFAOYSA-N -1 1 353.382 2.098 20 0 FEADMM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1c[nH]c2ccccc2c1=O ZINC000377415913 558336276 /nfs/dbraw/zinc/33/62/76/558336276.db2.gz ZYMHQZCTALFUHF-KGLIPLIRSA-N -1 1 353.422 2.049 20 0 FEADMM O=c1[n-]c([C@H]2CCCN(CCCc3nc(-c4ccccc4)no3)C2)n[nH]1 ZINC000377598084 558374107 /nfs/dbraw/zinc/37/41/07/558374107.db2.gz NDSVYZMBZHMWRE-AWEZNQCLSA-N -1 1 354.414 2.373 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000377622373 558378881 /nfs/dbraw/zinc/37/88/81/558378881.db2.gz IVJQSUBXSFAZDY-ZWNOBZJWSA-N -1 1 350.365 2.286 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)cnc2n1 ZINC000522601896 562200358 /nfs/dbraw/zinc/20/03/58/562200358.db2.gz YGTAVIQNWFLIRZ-LLVKDONJSA-N -1 1 368.359 2.258 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)c[n-]c2n1 ZINC000522601896 562200359 /nfs/dbraw/zinc/20/03/59/562200359.db2.gz YGTAVIQNWFLIRZ-LLVKDONJSA-N -1 1 368.359 2.258 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000377835287 558431457 /nfs/dbraw/zinc/43/14/57/558431457.db2.gz SFOXLGOKYHEPNR-ZDUSSCGKSA-N -1 1 365.459 2.233 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000377835287 558431458 /nfs/dbraw/zinc/43/14/58/558431458.db2.gz SFOXLGOKYHEPNR-ZDUSSCGKSA-N -1 1 365.459 2.233 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000522855569 562204898 /nfs/dbraw/zinc/20/48/98/562204898.db2.gz JBLBLKUCYVQOMU-UHFFFAOYSA-N -1 1 357.805 2.238 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)C1(c2ccccc2)CC(F)(F)C1 ZINC000377984878 558457735 /nfs/dbraw/zinc/45/77/35/558457735.db2.gz MDMVKNYVJNRHFG-UHFFFAOYSA-N -1 1 354.382 2.195 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)C3)c1 ZINC000378038218 558467785 /nfs/dbraw/zinc/46/77/85/558467785.db2.gz QZIAQDHHRDQRIR-UHFFFAOYSA-N -1 1 374.418 2.136 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3F)CC2)o1 ZINC000522934171 562206140 /nfs/dbraw/zinc/20/61/40/562206140.db2.gz WSXRYRKFIRVHQY-UHFFFAOYSA-N -1 1 366.414 2.347 20 0 FEADMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000522958969 562206478 /nfs/dbraw/zinc/20/64/78/562206478.db2.gz JSXZGBWZHHPRFL-UHFFFAOYSA-N -1 1 373.427 2.050 20 0 FEADMM O=C(NC1CCN(C(=O)c2c([O-])cnc3ccccc32)CC1)c1ccc[nH]1 ZINC000378098661 558480406 /nfs/dbraw/zinc/48/04/06/558480406.db2.gz ICGKNBXLNMLBJD-UHFFFAOYSA-N -1 1 364.405 2.303 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000378288419 558520746 /nfs/dbraw/zinc/52/07/46/558520746.db2.gz XRKOWIGXVDXILX-INIZCTEOSA-N -1 1 372.469 2.259 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000408205831 558656127 /nfs/dbraw/zinc/65/61/27/558656127.db2.gz LRSACMFYWGUYDT-UHFFFAOYSA-N -1 1 362.238 2.619 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000408206183 558656486 /nfs/dbraw/zinc/65/64/86/558656486.db2.gz NBOUJRLMDJAHKB-UHFFFAOYSA-N -1 1 357.382 2.412 20 0 FEADMM Cc1cnc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000408229107 558658642 /nfs/dbraw/zinc/65/86/42/558658642.db2.gz MUYJRYWYXLESEC-UHFFFAOYSA-N -1 1 360.458 2.332 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)ccc1F ZINC000410421897 558756798 /nfs/dbraw/zinc/75/67/98/558756798.db2.gz WXQICFBUOPTIRD-UHFFFAOYSA-N -1 1 350.371 2.372 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(N)=O)c2)c1 ZINC000410427520 558756838 /nfs/dbraw/zinc/75/68/38/558756838.db2.gz WMYVVLZHQCQCQH-UHFFFAOYSA-N -1 1 365.411 2.385 20 0 FEADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000411293684 558870294 /nfs/dbraw/zinc/87/02/94/558870294.db2.gz MEMQAYNXBNFABO-JTQLQIEISA-N -1 1 363.443 2.341 20 0 FEADMM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cn1C ZINC000525824185 562256345 /nfs/dbraw/zinc/25/63/45/562256345.db2.gz UQQYZSFTSSSGHW-UHFFFAOYSA-N -1 1 372.424 2.071 20 0 FEADMM CC(C)(CC(F)F)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000412137114 559016498 /nfs/dbraw/zinc/01/64/98/559016498.db2.gz WDMLAOVURYSQAL-UHFFFAOYSA-N -1 1 362.398 2.453 20 0 FEADMM CCOC(=O)[C@@H](CC)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000412260151 559023177 /nfs/dbraw/zinc/02/31/77/559023177.db2.gz RXBYDLXXFSYDAW-VIFPVBQESA-N -1 1 352.778 2.359 20 0 FEADMM CCOC(=O)[C@@H](CC)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000412260151 559023178 /nfs/dbraw/zinc/02/31/78/559023178.db2.gz RXBYDLXXFSYDAW-VIFPVBQESA-N -1 1 352.778 2.359 20 0 FEADMM COC(=O)CN1CCC[C@H](CNC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000412376223 559032077 /nfs/dbraw/zinc/03/20/77/559032077.db2.gz WZHIVBGCOOHFJU-CQSZACIVSA-N -1 1 356.422 2.160 20 0 FEADMM COCC1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000412686857 559050466 /nfs/dbraw/zinc/05/04/66/559050466.db2.gz NSMZRGBSDQGYBN-UHFFFAOYSA-N -1 1 372.487 2.291 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(OC)c(Cl)c2)co1 ZINC000412799419 559056658 /nfs/dbraw/zinc/05/66/58/559056658.db2.gz SCAUMEQWKHAFED-UHFFFAOYSA-N -1 1 372.830 2.122 20 0 FEADMM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1cc(Br)ccc1[O-] ZINC000414007271 559146423 /nfs/dbraw/zinc/14/64/23/559146423.db2.gz ALDUAHIMVPYQIO-LLVKDONJSA-N -1 1 355.232 2.284 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nncn1C ZINC000414459360 559165410 /nfs/dbraw/zinc/16/54/10/559165410.db2.gz BBOKOKXASMIXNB-LURJTMIESA-N -1 1 355.272 2.265 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c1Br ZINC000414472570 559166860 /nfs/dbraw/zinc/16/68/60/559166860.db2.gz SMZNWQQLUZABLQ-UHFFFAOYSA-N -1 1 362.253 2.138 20 0 FEADMM CN(C)c1ccccc1CN[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414647388 559176979 /nfs/dbraw/zinc/17/69/79/559176979.db2.gz BZNYUANOBHKYAE-MJGOQNOKSA-N -1 1 367.449 2.269 20 0 FEADMM COc1cc(F)cc(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000414653081 559177366 /nfs/dbraw/zinc/17/73/66/559177366.db2.gz HMOZKUOLORLQIB-MSOLQXFVSA-N -1 1 372.396 2.351 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2cccc(OC(F)F)c2)C1=O ZINC000414657869 559177816 /nfs/dbraw/zinc/17/78/16/559177816.db2.gz MHBCMMBGIRACMW-UONOGXRCSA-N -1 1 356.369 2.088 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)Cc2ccc(F)cc2F)s1 ZINC000527075527 562275799 /nfs/dbraw/zinc/27/57/99/562275799.db2.gz MDFVFMDUALAKQZ-UHFFFAOYSA-N -1 1 351.425 2.158 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CCOCC(F)(F)C(F)(F)F)[n-]1 ZINC000415649070 559257934 /nfs/dbraw/zinc/25/79/34/559257934.db2.gz POLGOPDARMSEAN-UHFFFAOYSA-N -1 1 359.251 2.129 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CCOCC(F)(F)C(F)(F)F)n1 ZINC000415649070 559257935 /nfs/dbraw/zinc/25/79/35/559257935.db2.gz POLGOPDARMSEAN-UHFFFAOYSA-N -1 1 359.251 2.129 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000416188201 559297233 /nfs/dbraw/zinc/29/72/33/559297233.db2.gz HVDGECMMVNWUGT-CYBMUJFWSA-N -1 1 359.357 2.401 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000416245029 559300876 /nfs/dbraw/zinc/30/08/76/559300876.db2.gz RTRHNQBVCXFPDF-MRXNPFEDSA-N -1 1 367.764 2.261 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)CCCc2cccnc2)c1 ZINC000416537284 559320406 /nfs/dbraw/zinc/32/04/06/559320406.db2.gz OCGRCHLBZOKEFY-LBPRGKRZSA-N -1 1 352.412 2.151 20 0 FEADMM C[C@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416621282 559325716 /nfs/dbraw/zinc/32/57/16/559325716.db2.gz SZXSEKJABBWCTC-JTQLQIEISA-N -1 1 364.464 2.006 20 0 FEADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(N)=O)cc2)c1OC ZINC000417585101 559367911 /nfs/dbraw/zinc/36/79/11/559367911.db2.gz OVPQUZHRNMHJEN-OAHLLOKOSA-N -1 1 358.394 2.108 20 0 FEADMM COCC1(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)CCOCC1 ZINC000419914462 559464334 /nfs/dbraw/zinc/46/43/34/559464334.db2.gz SGHOJTAIACZSGR-UHFFFAOYSA-N -1 1 351.353 2.737 20 0 FEADMM CCN(CCOc1ccccc1C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000421970039 559558672 /nfs/dbraw/zinc/55/86/72/559558672.db2.gz PSSKBHOBMBLGMW-UHFFFAOYSA-N -1 1 366.439 2.037 20 0 FEADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)CCOCC3CC3)cc2)o1 ZINC000424067876 559653457 /nfs/dbraw/zinc/65/34/57/559653457.db2.gz XLSCQBUMCAGANU-UHFFFAOYSA-N -1 1 351.428 2.467 20 0 FEADMM CC(=O)c1cc(F)c([N-]S(=O)(=O)CCOCC2CC2)c(F)c1F ZINC000424212347 559658051 /nfs/dbraw/zinc/65/80/51/559658051.db2.gz OLFYTZYRKFYCNI-UHFFFAOYSA-N -1 1 351.346 2.475 20 0 FEADMM COc1cc(CN[C@H](C(=O)[O-])c2ccnn2C)c(SC)cc1OC ZINC000424628364 559671751 /nfs/dbraw/zinc/67/17/51/559671751.db2.gz WRKFMKKCOSNCCQ-HNNXBMFYSA-N -1 1 351.428 2.075 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000424760359 559675896 /nfs/dbraw/zinc/67/58/96/559675896.db2.gz WTXMYMCHOVIWLV-ZTEVPRNISA-N -1 1 372.490 2.364 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c(F)c1 ZINC000425212872 559691724 /nfs/dbraw/zinc/69/17/24/559691724.db2.gz ZBGBXWVGZGJISD-AWEZNQCLSA-N -1 1 355.406 2.403 20 0 FEADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c(OC)n1 ZINC000425243683 559693070 /nfs/dbraw/zinc/69/30/70/559693070.db2.gz YWPCACCWJQRGMK-UHFFFAOYSA-N -1 1 358.366 2.164 20 0 FEADMM O=C(c1cc(F)ccc1-n1cccn1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425300903 559695435 /nfs/dbraw/zinc/69/54/35/559695435.db2.gz LNFNFGQZPSIXDH-NSHDSACASA-N -1 1 357.345 2.120 20 0 FEADMM COc1ccc(C(=O)C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1Cl ZINC000425301039 559695506 /nfs/dbraw/zinc/69/55/06/559695506.db2.gz LXLPFCNDGUQQER-SNVBAGLBSA-N -1 1 365.773 2.026 20 0 FEADMM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425301428 559695642 /nfs/dbraw/zinc/69/56/42/559695642.db2.gz MANQVWKNBDWWPJ-CYBMUJFWSA-N -1 1 353.382 2.196 20 0 FEADMM O=C(Cc1ccc(OC(F)F)c(F)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425316515 559696214 /nfs/dbraw/zinc/69/62/14/559696214.db2.gz CRULFZDZVMHPOU-UHFFFAOYSA-N -1 1 371.315 2.464 20 0 FEADMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)ccc1-n1cccn1 ZINC000425329027 559697062 /nfs/dbraw/zinc/69/70/62/559697062.db2.gz YOZUQBPKHLLZEP-UHFFFAOYSA-N -1 1 353.382 2.289 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@@H](C)c2ccc(Br)cc2)n1 ZINC000427046402 559746376 /nfs/dbraw/zinc/74/63/76/559746376.db2.gz PFLLYRWDLMAMKF-QMMMGPOBSA-N -1 1 373.228 2.494 20 0 FEADMM COC1CCC(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1 ZINC000427034660 559746127 /nfs/dbraw/zinc/74/61/27/559746127.db2.gz PCQKXULKFHXBTG-UHFFFAOYSA-N -1 1 353.488 2.467 20 0 FEADMM CC(=O)c1ccsc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000427306986 559752908 /nfs/dbraw/zinc/75/29/08/559752908.db2.gz FOGWIVDXWDXHAK-UHFFFAOYSA-N -1 1 355.393 2.215 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cnc1C ZINC000427311384 559753044 /nfs/dbraw/zinc/75/30/44/559753044.db2.gz AKGLEOZVSSVHGM-UHFFFAOYSA-N -1 1 360.395 2.162 20 0 FEADMM COC(=O)c1cc(-c2ccccc2CNC(=O)c2ncc(C)cc2[O-])[nH]n1 ZINC000428026869 559767722 /nfs/dbraw/zinc/76/77/22/559767722.db2.gz GWGQFAAWPCBPCR-UHFFFAOYSA-N -1 1 366.377 2.202 20 0 FEADMM CCNC(=O)c1cccc(NC(=O)CSc2nc(CC)cc(=O)[n-]2)c1 ZINC000428692359 559781427 /nfs/dbraw/zinc/78/14/27/559781427.db2.gz JNPAEPUEBFXWOL-UHFFFAOYSA-N -1 1 360.439 2.225 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccsc2C(=O)OC)n1 ZINC000428702008 559781458 /nfs/dbraw/zinc/78/14/58/559781458.db2.gz ULEGECHVKWBNFB-UHFFFAOYSA-N -1 1 353.425 2.324 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000428786523 559783417 /nfs/dbraw/zinc/78/34/17/559783417.db2.gz NVVYKZPNUONGLR-RHSMWYFYSA-N -1 1 370.453 2.153 20 0 FEADMM COc1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)ccc1[N-]S(C)(=O)=O 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FEADMM COC(=O)c1c[n-]c(SCC(=O)N(C)Cc2ccc(OC)c(F)c2)n1 ZINC000432651815 559862481 /nfs/dbraw/zinc/86/24/81/559862481.db2.gz AINOJGWTHOKWSM-UHFFFAOYSA-N -1 1 367.402 2.095 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cn1C ZINC000432965821 559869054 /nfs/dbraw/zinc/86/90/54/559869054.db2.gz PTJSSBQTARILFB-LBPRGKRZSA-N -1 1 351.325 2.291 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cc(C(=O)[O-])ccc1O)C[C@H](C)O2 ZINC000433496150 559883040 /nfs/dbraw/zinc/88/30/40/559883040.db2.gz CYZYYHVGBQGQGL-NSHDSACASA-N -1 1 363.391 2.375 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)sc1C ZINC000433783459 559887689 /nfs/dbraw/zinc/88/76/89/559887689.db2.gz OJGIJGUMRDHQQY-QLFBSQMISA-N -1 1 371.462 2.807 20 0 FEADMM CN(C)c1noc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000433862695 559889031 /nfs/dbraw/zinc/88/90/31/559889031.db2.gz NLTGWCGFVNBYKZ-UHFFFAOYSA-N -1 1 366.830 2.421 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H]3C[C@H]3C)c2)n1 ZINC000434102941 559894257 /nfs/dbraw/zinc/89/42/57/559894257.db2.gz VZMSXEOBYJQEPX-RISCZKNCSA-N -1 1 357.414 2.104 20 0 FEADMM CC(=O)Nc1cccc(OCC[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000435227059 559918265 /nfs/dbraw/zinc/91/82/65/559918265.db2.gz QTHHRPIYNOSMQA-UHFFFAOYSA-N -1 1 369.468 2.076 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000436501813 559943233 /nfs/dbraw/zinc/94/32/33/559943233.db2.gz ASONTDSZBAICQZ-UHFFFAOYSA-N -1 1 367.155 2.294 20 0 FEADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])nnn1CCOc1ccc(F)cc1 ZINC000436496218 559943262 /nfs/dbraw/zinc/94/32/62/559943262.db2.gz OWUPUXJECYCSNC-UHFFFAOYSA-N -1 1 372.356 2.468 20 0 FEADMM CCn1nc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c(=O)c2ccccc21 ZINC000436502210 559943367 /nfs/dbraw/zinc/94/33/67/559943367.db2.gz CNPXQDUXJJSZOM-UHFFFAOYSA-N -1 1 367.361 2.161 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c1 ZINC000436503832 559943413 /nfs/dbraw/zinc/94/34/13/559943413.db2.gz LCVOIUYWRNOXKR-VIFPVBQESA-N -1 1 356.334 2.151 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000436504173 559943612 /nfs/dbraw/zinc/94/36/12/559943612.db2.gz IZKYNIQMZRKSRC-IIYDPXPESA-N -1 1 364.442 2.251 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccnc(N3CCCCC3)n2)c1 ZINC000436507051 559943701 /nfs/dbraw/zinc/94/37/01/559943701.db2.gz DRGHECKONSRVJE-UHFFFAOYSA-N -1 1 356.382 2.211 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(Nc3cnccn3)c2)c1 ZINC000436512666 559943800 /nfs/dbraw/zinc/94/38/00/559943800.db2.gz YWTVLNLXJWTRNK-UHFFFAOYSA-N -1 1 364.361 2.965 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2COc3ccc(OC)cc3C2)c1 ZINC000436517444 559944125 /nfs/dbraw/zinc/94/41/25/559944125.db2.gz ZTUSLPUPVZHABP-CYBMUJFWSA-N -1 1 357.362 2.377 20 0 FEADMM CS(=O)(=O)c1ccc(OCCNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436558643 559945237 /nfs/dbraw/zinc/94/52/37/559945237.db2.gz QYZJTVKPJOCGEF-UHFFFAOYSA-N -1 1 369.826 2.258 20 0 FEADMM COc1cc(NC(=O)CNC(=O)c2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000436575298 559945767 /nfs/dbraw/zinc/94/57/67/559945767.db2.gz IIFDJBXNGCQDPN-UHFFFAOYSA-N -1 1 364.785 2.431 20 0 FEADMM Cc1nn(C)c(N)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436640512 559947269 /nfs/dbraw/zinc/94/72/69/559947269.db2.gz IUNLEMWUNFOSGL-UHFFFAOYSA-N -1 1 371.441 2.331 20 0 FEADMM COc1ccc(-n2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)n2)cc1 ZINC000436683870 559948880 /nfs/dbraw/zinc/94/88/80/559948880.db2.gz WUUNGQYJBQCKOW-UHFFFAOYSA-N -1 1 351.362 2.086 20 0 FEADMM COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436725914 559950151 /nfs/dbraw/zinc/95/01/51/559950151.db2.gz WBWLLJPUAZZHHO-DYVFJYSZSA-N -1 1 355.390 2.112 20 0 FEADMM CC(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])N1CCOCC1 ZINC000436763550 559951203 /nfs/dbraw/zinc/95/12/03/559951203.db2.gz LBPSRFFCWSXFBQ-AWEZNQCLSA-N -1 1 360.376 2.498 20 0 FEADMM Cc1nnc2n1C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])CC2 ZINC000436824263 559953160 /nfs/dbraw/zinc/95/31/60/559953160.db2.gz AIBHMKRZNWPUFT-SNVBAGLBSA-N -1 1 365.231 2.047 20 0 FEADMM COC(=O)COc1ccc(N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436837718 559953828 /nfs/dbraw/zinc/95/38/28/559953828.db2.gz HBHOBODADRIKSE-UHFFFAOYSA-N -1 1 372.377 2.179 20 0 FEADMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436869730 559954878 /nfs/dbraw/zinc/95/48/78/559954878.db2.gz KYYQBSMBWYVEBX-UHFFFAOYSA-N -1 1 356.378 2.071 20 0 FEADMM O=C(C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc([O-])cc1 ZINC000436892651 559955580 /nfs/dbraw/zinc/95/55/80/559955580.db2.gz LDZIEYCFZIIHTC-UHFFFAOYSA-N -1 1 372.808 2.213 20 0 FEADMM C/C=C\C[C@@H](CO)NC(=O)c1cc(I)ccc1[O-] ZINC000436933397 559956962 /nfs/dbraw/zinc/95/69/62/559956962.db2.gz QBCSYIHAQJKNPR-ZMWSMAPVSA-N -1 1 361.179 2.054 20 0 FEADMM COc1ccccc1N1CCC(NC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436969705 559957793 /nfs/dbraw/zinc/95/77/93/559957793.db2.gz ZYUPQGJNNDMLCW-UHFFFAOYSA-N -1 1 354.406 2.369 20 0 FEADMM Cc1ccc(C(=O)NC2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000436967389 559957853 /nfs/dbraw/zinc/95/78/53/559957853.db2.gz PDPPPKIEGNWRSP-UHFFFAOYSA-N -1 1 372.446 2.366 20 0 FEADMM CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(Br)ccc2[O-])C1(C)C ZINC000436994618 559958946 /nfs/dbraw/zinc/95/89/46/559958946.db2.gz NUNJIXIQPROOFV-CJNGLKHVSA-N -1 1 372.259 2.451 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCF)cc2)cc1 ZINC000437677792 559967702 /nfs/dbraw/zinc/96/77/02/559967702.db2.gz MRQZJMIAMVYGQQ-UHFFFAOYSA-N -1 1 352.387 2.195 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CO)cc1 ZINC000438757994 559983193 /nfs/dbraw/zinc/98/31/93/559983193.db2.gz NJICORDWPXQUAL-LLVKDONJSA-N -1 1 366.414 2.046 20 0 FEADMM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)C(=O)c1ccc([O-])cc1 ZINC000438884964 559985080 /nfs/dbraw/zinc/98/50/80/559985080.db2.gz KMXZKXAANSESRJ-UHFFFAOYSA-N -1 1 362.389 2.342 20 0 FEADMM Cc1cscc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000439052480 559987870 /nfs/dbraw/zinc/98/78/70/559987870.db2.gz DCYQMSKJFHZVEE-UHFFFAOYSA-N -1 1 355.393 2.327 20 0 FEADMM Cc1ccc(Nc2nnc(SCC(=O)Nc3nnn[n-]3)s2)cc1C ZINC000439270131 559991165 /nfs/dbraw/zinc/99/11/65/559991165.db2.gz GFGJKFNWTSBIEW-UHFFFAOYSA-N -1 1 362.444 2.142 20 0 FEADMM Cc1ccc(Nc2nnc(SCC(=O)Nc3nn[n-]n3)s2)cc1C ZINC000439270131 559991166 /nfs/dbraw/zinc/99/11/66/559991166.db2.gz GFGJKFNWTSBIEW-UHFFFAOYSA-N -1 1 362.444 2.142 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1F ZINC000442244023 560046494 /nfs/dbraw/zinc/04/64/94/560046494.db2.gz XAFKWVYGONVRNF-UHFFFAOYSA-N -1 1 351.359 2.227 20 0 FEADMM COc1cc(C(=O)N2CC(=O)N(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000443064018 560068737 /nfs/dbraw/zinc/06/87/37/560068737.db2.gz OIXCXKPIACFZKO-UHFFFAOYSA-N -1 1 360.797 2.496 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC000443062130 560068794 /nfs/dbraw/zinc/06/87/94/560068794.db2.gz AMSJWLSVFVXGFF-UHFFFAOYSA-N -1 1 365.455 2.278 20 0 FEADMM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000443076571 560069635 /nfs/dbraw/zinc/06/96/35/560069635.db2.gz YGHJVRNSAYPBPL-CQSZACIVSA-N -1 1 365.455 2.276 20 0 FEADMM CO[C@@H](C)c1noc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)n1 ZINC000443766480 560092224 /nfs/dbraw/zinc/09/22/24/560092224.db2.gz VLJSTGGCHQALJZ-JTQLQIEISA-N -1 1 357.370 2.444 20 0 FEADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000443936131 560096542 /nfs/dbraw/zinc/09/65/42/560096542.db2.gz DNBHHDOPSHAFEF-MFKMUULPSA-N -1 1 369.409 2.490 20 0 FEADMM CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000444514164 560114980 /nfs/dbraw/zinc/11/49/80/560114980.db2.gz IQXGRCJZLDDWJJ-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM O=C1[C@H]2CCCN2C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445888568 560136307 /nfs/dbraw/zinc/13/63/07/560136307.db2.gz VIUHYSBQNIIWRN-MRXNPFEDSA-N -1 1 371.418 2.418 20 0 FEADMM CCNC(=O)c1ccc(=NCCc2nc3ccccc3n2C(F)F)[n-]n1 ZINC000446868938 560152931 /nfs/dbraw/zinc/15/29/31/560152931.db2.gz UXWFGJGPXSJSFR-UHFFFAOYSA-N -1 1 360.368 2.626 20 0 FEADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCCC(=O)N2)cc1[O-] ZINC000447584221 560164824 /nfs/dbraw/zinc/16/48/24/560164824.db2.gz FBQNBQXCVXSIRU-INIZCTEOSA-N -1 1 373.453 2.452 20 0 FEADMM CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc(Br)cc1[O-] ZINC000447660181 560165927 /nfs/dbraw/zinc/16/59/27/560165927.db2.gz QTQZDFGIJIKZHV-UHFFFAOYSA-N -1 1 371.275 2.338 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCc3ccoc3)c2)n1 ZINC000447681295 560166793 /nfs/dbraw/zinc/16/67/93/560166793.db2.gz XZPCTJMDULNINW-UHFFFAOYSA-N -1 1 368.393 2.490 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC[C@H](C)OC)c2)n1 ZINC000447685444 560166902 /nfs/dbraw/zinc/16/69/02/560166902.db2.gz LHCUBIRKZLFQAZ-LBPRGKRZSA-N -1 1 360.414 2.080 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3csnc3C)c2)n1 ZINC000447683070 560166994 /nfs/dbraw/zinc/16/69/94/560166994.db2.gz MTGRBVLGNNZVBQ-UHFFFAOYSA-N -1 1 371.422 2.343 20 0 FEADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1OC ZINC000447788637 560169075 /nfs/dbraw/zinc/16/90/75/560169075.db2.gz RETJITFBSAVSIH-UHFFFAOYSA-N -1 1 368.802 2.429 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1 ZINC000448128714 560178442 /nfs/dbraw/zinc/17/84/42/560178442.db2.gz OKOYNFQTXUNRSH-UHFFFAOYSA-N -1 1 362.407 2.011 20 0 FEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000449134292 560217410 /nfs/dbraw/zinc/21/74/10/560217410.db2.gz ICNAQYZKAKYNAZ-SMDDNHRTSA-N -1 1 374.441 2.077 20 0 FEADMM COC(=O)c1[n-]c(=N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)sc1C ZINC000450876533 560276483 /nfs/dbraw/zinc/27/64/83/560276483.db2.gz WWIIOBOFRFAFHE-YRGRVCCFSA-N -1 1 364.471 3.044 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2C)cc1 ZINC000451116509 560288092 /nfs/dbraw/zinc/28/80/92/560288092.db2.gz RDFZXAJBWSVUIZ-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451198968 560292540 /nfs/dbraw/zinc/29/25/40/560292540.db2.gz COXOGSZQEZBMFU-UWVGGRQHSA-N -1 1 350.893 2.327 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CC(C)C2)c(F)c1 ZINC000451265307 560296969 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CCO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@@H]1C ZINC000452952556 560379093 /nfs/dbraw/zinc/37/90/93/560379093.db2.gz ZEDWCOBKYOXSGQ-STQMWFEESA-N -1 1 372.487 2.244 20 0 FEADMM COc1ccc(NC(=O)NCc2ccnc(C)c2)cc1[N-]S(C)(=O)=O ZINC000454887193 560462209 /nfs/dbraw/zinc/46/22/09/560462209.db2.gz DXAKJRBYGKZGLL-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM O=C(C[C@H]1CCC(=O)NC1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000456025227 560504920 /nfs/dbraw/zinc/50/49/20/560504920.db2.gz PIICZGBDRPUXEP-CYBMUJFWSA-N -1 1 373.453 2.310 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2C2CC2)o1 ZINC000456176954 560509821 /nfs/dbraw/zinc/50/98/21/560509821.db2.gz JONTXDGLNFPJLM-GFCCVEGCSA-N -1 1 372.512 2.324 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](CO)CC(C)(C)C ZINC000456433051 560520516 /nfs/dbraw/zinc/52/05/16/560520516.db2.gz ZUJAGDVJJHYFMK-GFCCVEGCSA-N -1 1 374.503 2.226 20 0 FEADMM CO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456665057 560527990 /nfs/dbraw/zinc/52/79/90/560527990.db2.gz WGTQVBKRKJXGAD-HOTGVXAUSA-N -1 1 372.469 2.400 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)C[C@@H]1c1ccccc1 ZINC000456968268 560541132 /nfs/dbraw/zinc/54/11/32/560541132.db2.gz XCCAKTQGDQOANA-HUUCEWRRSA-N -1 1 371.462 2.746 20 0 FEADMM COc1cc(F)cc(C[C@@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000457046450 560545458 /nfs/dbraw/zinc/54/54/58/560545458.db2.gz DABNRNWYCNCXMJ-SNVBAGLBSA-N -1 1 358.373 2.183 20 0 FEADMM CCOc1cc(C(=O)N[C@@](CC)(COC)C(=O)OC)cc(Cl)c1[O-] ZINC000457256340 560558704 /nfs/dbraw/zinc/55/87/04/560558704.db2.gz JJPPNAWZUHQPCN-INIZCTEOSA-N -1 1 359.806 2.142 20 0 FEADMM COC1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000458049915 560601046 /nfs/dbraw/zinc/60/10/46/560601046.db2.gz ZOJDQOKRIGYZLK-UHFFFAOYSA-N -1 1 358.460 2.044 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C12CCC2 ZINC000458166670 560606448 /nfs/dbraw/zinc/60/64/48/560606448.db2.gz BUOUOCOEAJDLEP-QWHCGFSZSA-N -1 1 370.471 2.044 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)co1 ZINC000458254056 560611509 /nfs/dbraw/zinc/61/15/09/560611509.db2.gz UVCBQRXUZPZMJA-LLVKDONJSA-N -1 1 354.403 2.030 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000458359556 560616876 /nfs/dbraw/zinc/61/68/76/560616876.db2.gz QAMAUDKDZANLNJ-VIFPVBQESA-N -1 1 355.460 2.262 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCCC(C)(F)F)CC2)n1 ZINC000458905674 560655374 /nfs/dbraw/zinc/65/53/74/560655374.db2.gz WTNFEEBQHUFOHM-UHFFFAOYSA-N -1 1 373.404 2.306 20 0 FEADMM C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459342956 560681153 /nfs/dbraw/zinc/68/11/53/560681153.db2.gz PRROCDBLITVXPW-UHFFFAOYSA-N -1 1 367.497 2.314 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccnc(OC)c2)ccc1C ZINC000460614009 560747220 /nfs/dbraw/zinc/74/72/20/560747220.db2.gz TXZMEDMRFQKMQV-UHFFFAOYSA-N -1 1 350.396 2.376 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000460839151 560753066 /nfs/dbraw/zinc/75/30/66/560753066.db2.gz YYVKQGPDXAGAQH-UHFFFAOYSA-N -1 1 369.328 2.095 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccnc1-2 ZINC000461116237 560761932 /nfs/dbraw/zinc/76/19/32/560761932.db2.gz XXFYGZJHUWDFGV-UHFFFAOYSA-N -1 1 370.356 2.247 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000461458497 560772314 /nfs/dbraw/zinc/77/23/14/560772314.db2.gz XQPYOWRFAYCYAY-NSHDSACASA-N -1 1 366.414 2.257 20 0 FEADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CC23CCC(CC2)C3)(C(=O)OC)C1(C)C ZINC000462083233 560796063 /nfs/dbraw/zinc/79/60/63/560796063.db2.gz ZWGUSYGZHVRIGI-NEZFAWNLSA-N -1 1 373.515 2.233 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1O ZINC000462098772 560796996 /nfs/dbraw/zinc/79/69/96/560796996.db2.gz AUKLFQHCTZMFBU-UHFFFAOYSA-N -1 1 355.437 2.046 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc(C(=O)OC)c2)o1 ZINC000462312761 560805289 /nfs/dbraw/zinc/80/52/89/560805289.db2.gz DMUNKRZCMLQJOZ-HNNXBMFYSA-N -1 1 367.423 2.295 20 0 FEADMM C/C=C\C[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OCC ZINC000463402025 560812704 /nfs/dbraw/zinc/81/27/04/560812704.db2.gz WCHURWJENXZBPE-VGVVRCBHSA-N -1 1 367.471 2.159 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CN1c1ccc(F)cc1 ZINC000464214586 560836374 /nfs/dbraw/zinc/83/63/74/560836374.db2.gz XTABBGZUQWQFHI-CYBMUJFWSA-N -1 1 372.780 2.312 20 0 FEADMM CSc1n[nH]c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000466384229 560885566 /nfs/dbraw/zinc/88/55/66/560885566.db2.gz RRRPNOTZALCAAP-UHFFFAOYSA-N -1 1 352.363 2.487 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1OC)c1ccc(F)c(C)c1 ZINC000466531090 560889001 /nfs/dbraw/zinc/88/90/01/560889001.db2.gz PPRNLBREUFJBJU-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM N=c1nc(N2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)s[n-]1 ZINC000469178772 560949208 /nfs/dbraw/zinc/94/92/08/560949208.db2.gz JKJPXENQHUATDI-UHFFFAOYSA-N -1 1 374.297 2.628 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(C)c(C)c1 ZINC000469240334 560950814 /nfs/dbraw/zinc/95/08/14/560950814.db2.gz WVLHNGUHXNWZEB-HOTGVXAUSA-N -1 1 355.456 2.006 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(-c3cncnc3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469542950 560957557 /nfs/dbraw/zinc/95/75/57/560957557.db2.gz SMFAVMMDTWUDKY-UHFFFAOYSA-N -1 1 374.360 2.454 20 0 FEADMM CO[C@@H](CCNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(F)(F)F ZINC000469935241 560969301 /nfs/dbraw/zinc/96/93/01/560969301.db2.gz LZXQWYWNMNIJFM-JTQLQIEISA-N -1 1 367.393 2.229 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000470975469 560995834 /nfs/dbraw/zinc/99/58/34/560995834.db2.gz NZCLHCGCUCMAJK-UHFFFAOYSA-N -1 1 352.379 2.489 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1C ZINC000471617283 561008793 /nfs/dbraw/zinc/00/87/93/561008793.db2.gz FHQSDXPAMRKNCF-UHFFFAOYSA-N -1 1 352.387 2.303 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)ccc1F ZINC000471625808 561009042 /nfs/dbraw/zinc/00/90/42/561009042.db2.gz ODPDSNJNNQISRO-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)[nH]n1 ZINC000471940900 561014643 /nfs/dbraw/zinc/01/46/43/561014643.db2.gz DJCCZGRWFIXSBX-UHFFFAOYSA-N -1 1 355.391 2.397 20 0 FEADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000471975184 561015479 /nfs/dbraw/zinc/01/54/79/561015479.db2.gz AFMHJYNHKXONOP-UHFFFAOYSA-N -1 1 361.452 2.493 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2nccs2)ccc1[N-]S(C)(=O)=O ZINC000472731684 561034044 /nfs/dbraw/zinc/03/40/44/561034044.db2.gz MCTIYSTVTZPMSM-UHFFFAOYSA-N -1 1 370.456 2.187 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccc(C)o1 ZINC000474174345 561067490 /nfs/dbraw/zinc/06/74/90/561067490.db2.gz KMNLARZNYUBYJB-CYBMUJFWSA-N -1 1 355.412 2.271 20 0 FEADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000474422822 561073818 /nfs/dbraw/zinc/07/38/18/561073818.db2.gz XBYYMSLGONTEPQ-UHFFFAOYSA-N -1 1 355.416 2.405 20 0 FEADMM NC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1 ZINC000475401343 561096300 /nfs/dbraw/zinc/09/63/00/561096300.db2.gz 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ZINC000529409809 562372799 /nfs/dbraw/zinc/37/27/99/562372799.db2.gz UQGXHFMDPXKRPD-UHFFFAOYSA-N -1 1 374.462 2.434 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC(Cc2ccco2)C1 ZINC000529860504 562389045 /nfs/dbraw/zinc/38/90/45/562389045.db2.gz WXVQBPFGQIBUNS-UHFFFAOYSA-N -1 1 354.410 2.278 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1 ZINC000530145511 562399784 /nfs/dbraw/zinc/39/97/84/562399784.db2.gz USUVGBGEUUQCGK-UHFFFAOYSA-N -1 1 360.435 2.480 20 0 FEADMM CO[C@]1(C(=O)[O-])CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000530172504 562401344 /nfs/dbraw/zinc/40/13/44/562401344.db2.gz YPHMJXRQLGMRQH-LJQANCHMSA-N -1 1 359.401 2.176 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000530298206 562405854 /nfs/dbraw/zinc/40/58/54/562405854.db2.gz HAVDXJBITSEIIC-CYBMUJFWSA-N -1 1 360.439 2.039 20 0 FEADMM Cc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000530805146 562424461 /nfs/dbraw/zinc/42/44/61/562424461.db2.gz AEBKTEBMTMEOET-UHFFFAOYSA-N -1 1 373.457 2.129 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)cc1 ZINC000531199083 562438009 /nfs/dbraw/zinc/43/80/09/562438009.db2.gz XLCBGLPJTJKUQL-UHFFFAOYSA-N -1 1 373.434 2.398 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)C[C@@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000531340186 562442670 /nfs/dbraw/zinc/44/26/70/562442670.db2.gz FWAYUTLMXLJXCI-YPMHNXCESA-N -1 1 371.459 2.146 20 0 FEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)[nH]n1 ZINC000531603495 562451361 /nfs/dbraw/zinc/45/13/61/562451361.db2.gz YLAWVMCKWSGNPT-UHFFFAOYSA-N -1 1 351.428 2.269 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cc4sccc4s3)CC2)s[n-]1 ZINC000532074858 562466098 /nfs/dbraw/zinc/46/60/98/562466098.db2.gz GKSPJAOXAPCDSP-UHFFFAOYSA-N -1 1 351.482 2.359 20 0 FEADMM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(C4CCCC4)n[nH]3)cc2N1 ZINC000532139645 562468490 /nfs/dbraw/zinc/46/84/90/562468490.db2.gz HNPSGLUBWLVDSZ-UHFFFAOYSA-N -1 1 362.411 2.199 20 0 FEADMM Cc1oc(C(=O)Nc2ccc(F)cc2[O-])cc1S(=O)(=O)N1CCCC1 ZINC000532621202 562483410 /nfs/dbraw/zinc/48/34/10/562483410.db2.gz MNBRAQNQUHSUHH-UHFFFAOYSA-N -1 1 368.386 2.470 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)c(OC)c1 ZINC000532710803 562486344 /nfs/dbraw/zinc/48/63/44/562486344.db2.gz MZSCXADPZOQDEA-STQMWFEESA-N -1 1 350.415 2.218 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)sc1C ZINC000532931734 562492962 /nfs/dbraw/zinc/49/29/62/562492962.db2.gz YBJPBOWHYRXDNM-UHFFFAOYSA-N -1 1 358.416 2.244 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000534205496 562527423 /nfs/dbraw/zinc/52/74/23/562527423.db2.gz HNKHCLAFJALQIH-UHFFFAOYSA-N -1 1 366.406 2.226 20 0 FEADMM Cc1nn2cc(S(=O)(=O)[N-]c3cccc(O)c3F)cnc2c1Cl ZINC000535054433 562549840 /nfs/dbraw/zinc/54/98/40/562549840.db2.gz LUFRXWJWTDTYFA-UHFFFAOYSA-N -1 1 356.766 2.337 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)co1 ZINC000535152594 562552221 /nfs/dbraw/zinc/55/22/21/562552221.db2.gz ZIWPWKPGKMRRBP-VIFPVBQESA-N -1 1 370.377 2.225 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000535309801 562555680 /nfs/dbraw/zinc/55/56/80/562555680.db2.gz XFUJGFXPQIKWFR-ZDUSSCGKSA-N -1 1 372.450 2.440 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3cc(F)c(F)cc3s2)co1 ZINC000535883124 562570286 /nfs/dbraw/zinc/57/02/86/562570286.db2.gz OYFPTKCODCDSNR-UHFFFAOYSA-N -1 1 373.362 2.328 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COc1cccc(F)c1 ZINC000536940663 562583120 /nfs/dbraw/zinc/58/31/20/562583120.db2.gz YDDQUJDDEQWRGK-UHFFFAOYSA-N -1 1 356.350 2.354 20 0 FEADMM Cc1ccc(SCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540805346 562593550 /nfs/dbraw/zinc/59/35/50/562593550.db2.gz FNDZCUITQVRVRN-UHFFFAOYSA-N -1 1 366.464 2.469 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c(C)c1F ZINC000541165000 562604776 /nfs/dbraw/zinc/60/47/76/562604776.db2.gz JVLPUSNZCAZVSX-UHFFFAOYSA-N -1 1 350.371 2.187 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(C[C@H](C)c2ccccc2)no1 ZINC000546470647 562637403 /nfs/dbraw/zinc/63/74/03/562637403.db2.gz CDPXHXYZAQOFLQ-AWEZNQCLSA-N -1 1 367.471 2.260 20 0 FEADMM C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000546539283 562637651 /nfs/dbraw/zinc/63/76/51/562637651.db2.gz WXPVKCISYHNPTO-OAQYLSRUSA-N -1 1 359.450 2.126 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)CN1c1ccccc1 ZINC000556302126 674395631 /nfs/dbraw/zinc/39/56/31/674395631.db2.gz HQJQYHOJFHLWMI-TZMCWYRMSA-N -1 1 358.410 2.147 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(C)(F)F ZINC000556339106 674397802 /nfs/dbraw/zinc/39/78/02/674397802.db2.gz VRAZUCQWQANNSK-OCCSQVGLSA-N -1 1 360.426 2.254 20 0 FEADMM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3cc(F)cc(F)c3)ccc21 ZINC000556350745 674398335 /nfs/dbraw/zinc/39/83/35/674398335.db2.gz AHBGVZYCRRTZHQ-UHFFFAOYSA-N -1 1 356.325 2.191 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)OC)cc(Cl)c1[O-] ZINC000601727626 567827906 /nfs/dbraw/zinc/82/79/06/567827906.db2.gz QOVQKNFYCJUKOX-GTNSWQLSSA-N -1 1 371.817 2.237 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)c2scc(C)c2Br)n[n-]1 ZINC000603020219 568052344 /nfs/dbraw/zinc/05/23/44/568052344.db2.gz YZOKZNCLYVYZDS-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2scc(C)c2Br)n1 ZINC000603020219 568052345 /nfs/dbraw/zinc/05/23/45/568052345.db2.gz YZOKZNCLYVYZDS-UHFFFAOYSA-N -1 1 373.232 2.044 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2cccc(C(F)F)c2)n[n-]1 ZINC000603157936 568068931 /nfs/dbraw/zinc/06/89/31/568068931.db2.gz XEWCFWFDTUTLIE-SECBINFHSA-N -1 1 352.341 2.339 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2cccc(C(F)F)c2)[n-]1 ZINC000603157936 568068932 /nfs/dbraw/zinc/06/89/32/568068932.db2.gz XEWCFWFDTUTLIE-SECBINFHSA-N -1 1 352.341 2.339 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2cccc(C(F)F)c2)n1 ZINC000603157936 568068933 /nfs/dbraw/zinc/06/89/33/568068933.db2.gz XEWCFWFDTUTLIE-SECBINFHSA-N -1 1 352.341 2.339 20 0 FEADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000669134210 568129099 /nfs/dbraw/zinc/12/90/99/568129099.db2.gz NMCDVHXKSGHTGP-HUUCEWRRSA-N -1 1 362.451 2.368 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)OCC2(C)C)o1 ZINC000604237994 568236300 /nfs/dbraw/zinc/23/63/00/568236300.db2.gz PGICJNIIQCANFC-UHFFFAOYSA-N -1 1 372.487 2.386 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nccc(C)n3)c2)o1 ZINC000604606964 568325697 /nfs/dbraw/zinc/32/56/97/568325697.db2.gz CKLVDLREJKQQTM-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000737346453 598825088 /nfs/dbraw/zinc/82/50/88/598825088.db2.gz FRUDNWQASKDFDD-UHFFFAOYSA-N -1 1 364.818 2.049 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737346453 598825089 /nfs/dbraw/zinc/82/50/89/598825089.db2.gz FRUDNWQASKDFDD-UHFFFAOYSA-N -1 1 364.818 2.049 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1C1CC1 ZINC000738355234 598874579 /nfs/dbraw/zinc/87/45/79/598874579.db2.gz OTVVTFPUNHJRAW-LLVKDONJSA-N -1 1 353.835 2.083 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1C1CC1 ZINC000738355234 598874580 /nfs/dbraw/zinc/87/45/80/598874580.db2.gz OTVVTFPUNHJRAW-LLVKDONJSA-N -1 1 353.835 2.083 20 0 FEADMM CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1 ZINC000820995388 599376033 /nfs/dbraw/zinc/37/60/33/599376033.db2.gz QQJJRNSSWWPMTJ-VIFPVBQESA-N -1 1 373.891 2.036 20 0 FEADMM CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1 ZINC000820995388 599376034 /nfs/dbraw/zinc/37/60/34/599376034.db2.gz QQJJRNSSWWPMTJ-VIFPVBQESA-N -1 1 373.891 2.036 20 0 FEADMM O=C1Nc2ccccc2[C@H]1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738320003 598956978 /nfs/dbraw/zinc/95/69/78/598956978.db2.gz QZICSSNMFNKCRL-GFCCVEGCSA-N -1 1 372.392 2.348 20 0 FEADMM O=C1Nc2ccccc2[C@H]1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738320003 598956979 /nfs/dbraw/zinc/95/69/79/598956979.db2.gz QZICSSNMFNKCRL-GFCCVEGCSA-N -1 1 372.392 2.348 20 0 FEADMM CN(C)C(=O)c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736753099 598957773 /nfs/dbraw/zinc/95/77/73/598957773.db2.gz FCPLKTYLYXCJDX-UHFFFAOYSA-N -1 1 374.408 2.124 20 0 FEADMM CN(C)C(=O)c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736753099 598957775 /nfs/dbraw/zinc/95/77/75/598957775.db2.gz FCPLKTYLYXCJDX-UHFFFAOYSA-N -1 1 374.408 2.124 20 0 FEADMM OC[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccccc1 ZINC000738388217 598958872 /nfs/dbraw/zinc/95/88/72/598958872.db2.gz CZHSKLBZWGODNK-AWEZNQCLSA-N -1 1 361.409 2.073 20 0 FEADMM OC[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccccc1 ZINC000738388217 598958873 /nfs/dbraw/zinc/95/88/73/598958873.db2.gz CZHSKLBZWGODNK-AWEZNQCLSA-N -1 1 361.409 2.073 20 0 FEADMM COC(=O)Cc1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736930570 598967249 /nfs/dbraw/zinc/96/72/49/598967249.db2.gz JEJWKWWKKZSYQI-UHFFFAOYSA-N -1 1 362.349 2.318 20 0 FEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000738067066 598964377 /nfs/dbraw/zinc/96/43/77/598964377.db2.gz YXQIMZNOJXSPIW-UHFFFAOYSA-N -1 1 374.408 2.042 20 0 FEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000738067066 598964378 /nfs/dbraw/zinc/96/43/78/598964378.db2.gz YXQIMZNOJXSPIW-UHFFFAOYSA-N -1 1 374.408 2.042 20 0 FEADMM Cc1noc(C)c1C[C@@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737541272 598971337 /nfs/dbraw/zinc/97/13/37/598971337.db2.gz ZYWPTXTZFAEMHH-SECBINFHSA-N -1 1 350.386 2.458 20 0 FEADMM Cc1noc(C)c1C[C@@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737541272 598971338 /nfs/dbraw/zinc/97/13/38/598971338.db2.gz ZYWPTXTZFAEMHH-SECBINFHSA-N -1 1 350.386 2.458 20 0 FEADMM O=C(NCc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738124948 598985270 /nfs/dbraw/zinc/98/52/70/598985270.db2.gz XCGUFCRLEYZUFO-UHFFFAOYSA-N -1 1 364.287 2.090 20 0 FEADMM O=C(NCc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738124948 598985271 /nfs/dbraw/zinc/98/52/71/598985271.db2.gz XCGUFCRLEYZUFO-UHFFFAOYSA-N -1 1 364.287 2.090 20 0 FEADMM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736214808 599001187 /nfs/dbraw/zinc/00/11/87/599001187.db2.gz VGNVVXPARPDHGI-INIZCTEOSA-N -1 1 364.409 2.254 20 0 FEADMM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736214808 599001189 /nfs/dbraw/zinc/00/11/89/599001189.db2.gz VGNVVXPARPDHGI-INIZCTEOSA-N -1 1 364.409 2.254 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000737186127 599108863 /nfs/dbraw/zinc/10/88/63/599108863.db2.gz HOYVRACPKOJOEP-MRVPVSSYSA-N -1 1 350.448 2.101 20 0 FEADMM O=C1c2ccccc2N[C@H](c2ccc(-c3nnn[n-]3)o2)N1C[C@@H]1CCCO1 ZINC000823551293 599118134 /nfs/dbraw/zinc/11/81/34/599118134.db2.gz LRTOIUACRKFACH-GTNSWQLSSA-N -1 1 366.381 2.205 20 0 FEADMM O=C1c2ccccc2N[C@H](c2ccc(-c3nn[n-]n3)o2)N1C[C@@H]1CCCO1 ZINC000823551293 599118136 /nfs/dbraw/zinc/11/81/36/599118136.db2.gz LRTOIUACRKFACH-GTNSWQLSSA-N -1 1 366.381 2.205 20 0 FEADMM Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737252452 599141731 /nfs/dbraw/zinc/14/17/31/599141731.db2.gz ZSUMZPJRBBNKAY-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737252452 599141732 /nfs/dbraw/zinc/14/17/32/599141732.db2.gz ZSUMZPJRBBNKAY-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000738219555 599144555 /nfs/dbraw/zinc/14/45/55/599144555.db2.gz LXJWFJHRBHTFLG-UHFFFAOYSA-N -1 1 367.409 2.204 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000738219555 599144559 /nfs/dbraw/zinc/14/45/59/599144559.db2.gz LXJWFJHRBHTFLG-UHFFFAOYSA-N -1 1 367.409 2.204 20 0 FEADMM O=C(NC[C@@H](O)c1cccc(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000807490422 674417874 /nfs/dbraw/zinc/41/78/74/674417874.db2.gz YHFBDNDNMCTSFP-CQSZACIVSA-N -1 1 364.195 2.187 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)CO1 ZINC000737423534 599224493 /nfs/dbraw/zinc/22/44/93/599224493.db2.gz QPWDTOPLZQIMGF-DYVFJYSZSA-N -1 1 364.409 2.172 20 0 FEADMM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)CO1 ZINC000737423534 599224495 /nfs/dbraw/zinc/22/44/95/599224495.db2.gz QPWDTOPLZQIMGF-DYVFJYSZSA-N -1 1 364.409 2.172 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(Cl)c1 ZINC000736020627 599233181 /nfs/dbraw/zinc/23/31/81/599233181.db2.gz RJEYRDTWBJBTOW-JTQLQIEISA-N -1 1 358.789 2.112 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(Cl)c1 ZINC000736020627 599233182 /nfs/dbraw/zinc/23/31/82/599233182.db2.gz RJEYRDTWBJBTOW-JTQLQIEISA-N -1 1 358.789 2.112 20 0 FEADMM CN(CCC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000818429261 596995306 /nfs/dbraw/zinc/99/53/06/596995306.db2.gz ZOTWVAZNTXTDRQ-CQSZACIVSA-N -1 1 373.375 2.396 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1F ZINC000818385321 597062122 /nfs/dbraw/zinc/06/21/22/597062122.db2.gz BDSXYRLGGKQCMY-CQSZACIVSA-N -1 1 351.422 2.284 20 0 FEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000676233789 597081471 /nfs/dbraw/zinc/08/14/71/597081471.db2.gz UQEWRBOUUNZJHI-KRWDZBQOSA-N -1 1 374.481 2.038 20 0 FEADMM CCN(C(=O)CSCC(=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000572481546 597098197 /nfs/dbraw/zinc/09/81/97/597098197.db2.gz MWMBAQNSVAWZDB-ZBFHGGJFSA-N -1 1 350.484 2.488 20 0 FEADMM c1ccc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)nc1 ZINC000738436500 599254292 /nfs/dbraw/zinc/25/42/92/599254292.db2.gz RYLJPPVXBAWZOF-UHFFFAOYSA-N -1 1 358.409 2.137 20 0 FEADMM CC(C)S(=O)(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000820183628 607316812 /nfs/dbraw/zinc/31/68/12/607316812.db2.gz HOODBEPMAFEJGC-UHFFFAOYSA-N -1 1 361.427 2.395 20 0 FEADMM CC(C)S(=O)(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000820183628 607316813 /nfs/dbraw/zinc/31/68/13/607316813.db2.gz HOODBEPMAFEJGC-UHFFFAOYSA-N -1 1 361.427 2.395 20 0 FEADMM C[C@H]1CCN(C(=O)CC[C@H]2CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707911 674424993 /nfs/dbraw/zinc/42/49/93/674424993.db2.gz DAMKXLVXNHRJSK-MNXVOIDGSA-N -1 1 350.381 2.107 20 0 FEADMM Cc1csc([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737455429 599285815 /nfs/dbraw/zinc/28/58/15/599285815.db2.gz QXDOGKYGBTZUPD-LBPRGKRZSA-N -1 1 355.427 2.046 20 0 FEADMM Cc1csc([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737455429 599285817 /nfs/dbraw/zinc/28/58/17/599285817.db2.gz QXDOGKYGBTZUPD-LBPRGKRZSA-N -1 1 355.427 2.046 20 0 FEADMM COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)c(OC)c1 ZINC000820826849 598188292 /nfs/dbraw/zinc/18/82/92/598188292.db2.gz KDTUCEIXBZJQGZ-MAUKXSAKSA-N -1 1 364.442 2.066 20 0 FEADMM COc1cccc([C@H]2[C@H](NC(=O)N(C)CCC(=O)[O-])CCN2C2CC2)c1 ZINC000820865760 598215942 /nfs/dbraw/zinc/21/59/42/598215942.db2.gz WSIYHBSOJXXEFU-AEFFLSMTSA-N -1 1 361.442 2.089 20 0 FEADMM Cc1ccn(Cc2ccc(F)c(Br)c2)c(=O)c1-c1nn[n-]n1 ZINC000822374047 607349768 /nfs/dbraw/zinc/34/97/68/607349768.db2.gz IQXWULRXBHEOEK-UHFFFAOYSA-N -1 1 364.178 2.287 20 0 FEADMM Ic1ccc(Oc2nccnc2-c2nn[n-]n2)cc1 ZINC000737669065 598336337 /nfs/dbraw/zinc/33/63/37/598336337.db2.gz ITPHCXMXNBQNSR-UHFFFAOYSA-N -1 1 366.122 2.054 20 0 FEADMM CN(Cc1ccccc1OC(F)(F)F)c1nccnc1-c1nnn[n-]1 ZINC000736827755 598341048 /nfs/dbraw/zinc/34/10/48/598341048.db2.gz AXNCQZKCGRDSRP-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM CN(Cc1ccccc1OC(F)(F)F)c1nccnc1-c1nn[n-]n1 ZINC000736827755 598341049 /nfs/dbraw/zinc/34/10/49/598341049.db2.gz AXNCQZKCGRDSRP-UHFFFAOYSA-N -1 1 351.292 2.192 20 0 FEADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138269 598351218 /nfs/dbraw/zinc/35/12/18/598351218.db2.gz QEHMJWKXXIYJSC-NWDGAFQWSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736138269 598351220 /nfs/dbraw/zinc/35/12/20/598351220.db2.gz QEHMJWKXXIYJSC-NWDGAFQWSA-N -1 1 374.449 2.104 20 0 FEADMM COc1ccc(CNc2nccnc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737096783 598353200 /nfs/dbraw/zinc/35/32/00/598353200.db2.gz YILWEUPYPWSWBG-UHFFFAOYSA-N -1 1 351.292 2.296 20 0 FEADMM COc1ccc(CNc2nccnc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737096783 598353201 /nfs/dbraw/zinc/35/32/01/598353201.db2.gz YILWEUPYPWSWBG-UHFFFAOYSA-N -1 1 351.292 2.296 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000737772260 598472279 /nfs/dbraw/zinc/47/22/79/598472279.db2.gz XBFSTKLNAGXFKZ-UHFFFAOYSA-N -1 1 372.801 2.111 20 0 FEADMM COc1cccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737121654 598503076 /nfs/dbraw/zinc/50/30/76/598503076.db2.gz PJBHMNUZKGQPQU-UHFFFAOYSA-N -1 1 361.361 2.073 20 0 FEADMM CO[C@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000736961527 598551102 /nfs/dbraw/zinc/55/11/02/598551102.db2.gz KPOPIRBAIWLICX-NSHDSACASA-N -1 1 374.470 2.112 20 0 FEADMM Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737422063 598686914 /nfs/dbraw/zinc/68/69/14/598686914.db2.gz ODQOFFQUXSPYCG-NSHDSACASA-N -1 1 361.402 2.354 20 0 FEADMM CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736778599 598688361 /nfs/dbraw/zinc/68/83/61/598688361.db2.gz DDXHOALRJNOVIP-MRXNPFEDSA-N -1 1 373.413 2.314 20 0 FEADMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736270993 598688457 /nfs/dbraw/zinc/68/84/57/598688457.db2.gz LHSSNOGWBRAXLF-YGRLFVJLSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)CC(=O)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735757840 598745563 /nfs/dbraw/zinc/74/55/63/598745563.db2.gz FKCPXFTUOJMNAR-UHFFFAOYSA-N -1 1 369.882 2.426 20 0 FEADMM CC(C)CC(=O)N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735757840 598745564 /nfs/dbraw/zinc/74/55/64/598745564.db2.gz FKCPXFTUOJMNAR-UHFFFAOYSA-N -1 1 369.882 2.426 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1N1C(=O)N[C@H](C)C1=O ZINC000808122888 674442503 /nfs/dbraw/zinc/44/25/03/674442503.db2.gz IXEUCDNJQDOBKK-GFCCVEGCSA-N -1 1 359.407 2.241 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000737202278 598809654 /nfs/dbraw/zinc/80/96/54/598809654.db2.gz ZOPOUWMNFJJWKC-UEKVPHQBSA-N -1 1 372.473 2.458 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821970725 599329581 /nfs/dbraw/zinc/32/95/81/599329581.db2.gz RHBWNSDLORCFOJ-GBIKHYSHSA-N -1 1 374.470 2.482 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821970728 599329963 /nfs/dbraw/zinc/32/99/63/599329963.db2.gz RHBWNSDLORCFOJ-NRUUGDAUSA-N -1 1 374.470 2.482 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)C(=O)OC3)c(=O)[n-]1 ZINC000808459821 674459735 /nfs/dbraw/zinc/45/97/35/674459735.db2.gz DTIXLDUZYBAQLO-UHFFFAOYSA-N -1 1 359.407 2.454 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1C1CCC1 ZINC000823600631 599343653 /nfs/dbraw/zinc/34/36/53/599343653.db2.gz JHFYRRQLFRFHBQ-ZDUSSCGKSA-N -1 1 367.862 2.473 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000820710371 599346724 /nfs/dbraw/zinc/34/67/24/599346724.db2.gz PWTJVIVHPPCPBJ-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC000820710371 599346726 /nfs/dbraw/zinc/34/67/26/599346726.db2.gz PWTJVIVHPPCPBJ-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM COc1c(C)cnc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1C ZINC000737026444 599369553 /nfs/dbraw/zinc/36/95/53/599369553.db2.gz SYXLQNWUGGSURO-UHFFFAOYSA-N -1 1 362.393 2.250 20 0 FEADMM CC[C@]1(C)CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820950218 599371132 /nfs/dbraw/zinc/37/11/32/599371132.db2.gz KWDWIGKSSCLUEL-OAHLLOKOSA-N -1 1 353.423 2.207 20 0 FEADMM CC[C@]1(C)CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820950218 599371135 /nfs/dbraw/zinc/37/11/35/599371135.db2.gz KWDWIGKSSCLUEL-OAHLLOKOSA-N -1 1 353.423 2.207 20 0 FEADMM O=C(c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1)N1CCCCC1 ZINC000738258573 599400948 /nfs/dbraw/zinc/40/09/48/599400948.db2.gz QFGMEYGMAODUTM-UHFFFAOYSA-N -1 1 363.425 2.500 20 0 FEADMM O=C(c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1)N1CCCCC1 ZINC000738258573 599400951 /nfs/dbraw/zinc/40/09/51/599400951.db2.gz QFGMEYGMAODUTM-UHFFFAOYSA-N -1 1 363.425 2.500 20 0 FEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(N2CCOC2=O)c1 ZINC000736136010 599418654 /nfs/dbraw/zinc/41/86/54/599418654.db2.gz CWCGVAHYYZYFLO-NSHDSACASA-N -1 1 351.370 2.391 20 0 FEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(N2CCOC2=O)c1 ZINC000736136010 599418658 /nfs/dbraw/zinc/41/86/58/599418658.db2.gz CWCGVAHYYZYFLO-NSHDSACASA-N -1 1 351.370 2.391 20 0 FEADMM O=C(Nc1ccc(F)cc1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738166234 599426189 /nfs/dbraw/zinc/42/61/89/599426189.db2.gz RETAKPNVASGDLJ-UHFFFAOYSA-N -1 1 367.388 2.256 20 0 FEADMM O=C(Nc1ccc(F)cc1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738166234 599426191 /nfs/dbraw/zinc/42/61/91/599426191.db2.gz RETAKPNVASGDLJ-UHFFFAOYSA-N -1 1 367.388 2.256 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)CCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000821971008 599440444 /nfs/dbraw/zinc/44/04/44/599440444.db2.gz VROHIVZHYFIGDH-NXEZZACHSA-N -1 1 362.459 2.340 20 0 FEADMM COC(=O)CC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821659044 599491219 /nfs/dbraw/zinc/49/12/19/599491219.db2.gz PVFNBZUAFGURSH-UHFFFAOYSA-N -1 1 352.398 2.194 20 0 FEADMM COC(=O)CC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821659044 599491220 /nfs/dbraw/zinc/49/12/20/599491220.db2.gz PVFNBZUAFGURSH-UHFFFAOYSA-N -1 1 352.398 2.194 20 0 FEADMM CCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCC(C)C)=C1C ZINC000821240766 599492796 /nfs/dbraw/zinc/49/27/96/599492796.db2.gz IOJWIOAPBBGAPE-CQSZACIVSA-N -1 1 374.401 2.019 20 0 FEADMM CCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCC(C)C)=C1C ZINC000821240766 599492800 /nfs/dbraw/zinc/49/28/00/599492800.db2.gz IOJWIOAPBBGAPE-CQSZACIVSA-N -1 1 374.401 2.019 20 0 FEADMM CC(C)(C)OC(=O)CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000819928102 599688746 /nfs/dbraw/zinc/68/87/46/599688746.db2.gz IHLXXYKDABEGNX-UHFFFAOYSA-N -1 1 355.402 2.344 20 0 FEADMM CC(C)(C)OC(=O)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000819928102 599688747 /nfs/dbraw/zinc/68/87/47/599688747.db2.gz IHLXXYKDABEGNX-UHFFFAOYSA-N -1 1 355.402 2.344 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736652593 599799328 /nfs/dbraw/zinc/79/93/28/599799328.db2.gz IPVIGRVEYAAZKO-SNVBAGLBSA-N -1 1 352.350 2.018 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)c(C(=O)[O-])s1 ZINC000737680574 599813622 /nfs/dbraw/zinc/81/36/22/599813622.db2.gz LIHIWCWCSTYRSO-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736932187 599841049 /nfs/dbraw/zinc/84/10/49/599841049.db2.gz MPZJONYRYSAJQL-BEFAXECRSA-N -1 1 359.426 2.130 20 0 FEADMM COc1ccc2c(c1)CCCN([C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000738075469 599979502 /nfs/dbraw/zinc/97/95/02/599979502.db2.gz ZXDUGTJNTSMLHS-CQSZACIVSA-N -1 1 360.454 2.155 20 0 FEADMM O=C([O-])C1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000738544729 600034451 /nfs/dbraw/zinc/03/44/51/600034451.db2.gz AWOADLQIKASACT-UHFFFAOYSA-N -1 1 360.435 2.145 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccnn1Cc1ccccn1 ZINC000738347502 600099804 /nfs/dbraw/zinc/09/98/04/600099804.db2.gz NQZFHFCQCWUWFG-UHFFFAOYSA-N -1 1 372.406 2.134 20 0 FEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000740145436 600100392 /nfs/dbraw/zinc/10/03/92/600100392.db2.gz RPIIWKFBICOTAP-UHFFFAOYSA-N -1 1 363.326 2.375 20 0 FEADMM O=C([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311115656 600162679 /nfs/dbraw/zinc/16/26/79/600162679.db2.gz ZHFYAKXOLZDSLX-GOSISDBHSA-N -1 1 374.462 2.079 20 0 FEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)c1 ZINC000738624493 600289558 /nfs/dbraw/zinc/28/95/58/600289558.db2.gz LYIHTCSNRVIYDQ-CQSZACIVSA-N -1 1 359.426 2.138 20 0 FEADMM C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736209856 600290142 /nfs/dbraw/zinc/29/01/42/600290142.db2.gz AOIBRXXUIIGYLX-RYUDHWBXSA-N -1 1 363.389 2.049 20 0 FEADMM CC(C)Oc1ccc(CCNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736492229 600302879 /nfs/dbraw/zinc/30/28/79/600302879.db2.gz XTSGDVRSPZTGOO-GOSISDBHSA-N -1 1 374.481 2.319 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCN1CCOC ZINC000736940746 600339080 /nfs/dbraw/zinc/33/90/80/600339080.db2.gz UCDIIAAQHQNSSS-CYBMUJFWSA-N -1 1 353.394 2.098 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736811583 600352262 /nfs/dbraw/zinc/35/22/62/600352262.db2.gz RSFBWKOVDVKMKS-OKILXGFUSA-N -1 1 364.446 2.075 20 0 FEADMM O=C([O-])[C@@H](c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000568990492 600400991 /nfs/dbraw/zinc/40/09/91/600400991.db2.gz KJQPCAJIWLEBGI-GOSISDBHSA-N -1 1 374.462 2.209 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2)CC1 ZINC000737529507 600661140 /nfs/dbraw/zinc/66/11/40/600661140.db2.gz YLPVXTNAFRQFON-IAGOWNOFSA-N -1 1 359.470 2.264 20 0 FEADMM CC(C)N1C[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000828424017 600792405 /nfs/dbraw/zinc/79/24/05/600792405.db2.gz NWRSZPLXNUELIG-HZMBPMFUSA-N -1 1 360.863 2.045 20 0 FEADMM COc1ccc(Cl)cc1C[C@H]1CCCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000738014729 600796716 /nfs/dbraw/zinc/79/67/16/600796716.db2.gz YYGKFSYYQKQGPT-QWHCGFSZSA-N -1 1 368.861 2.192 20 0 FEADMM Cc1nnc(SCC(=O)NCc2c3ccccc3sc2C(=O)[O-])[nH]1 ZINC000832990605 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C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398194868 601989069 /nfs/dbraw/zinc/98/90/69/601989069.db2.gz LDIOJNCIOBDEIO-WMLDXEAASA-N -1 1 374.462 2.326 20 0 FEADMM C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738982240 602084175 /nfs/dbraw/zinc/08/41/75/602084175.db2.gz RYPLIOCJVATZAQ-NVXWUHKLSA-N -1 1 374.485 2.122 20 0 FEADMM CCCCc1cc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)[nH]n1 ZINC000829430691 602102985 /nfs/dbraw/zinc/10/29/85/602102985.db2.gz LAJLOVYHGWSOFN-UHFFFAOYSA-N -1 1 367.427 2.407 20 0 FEADMM CC(C)S(=O)(=O)Cc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000824338317 607550042 /nfs/dbraw/zinc/55/00/42/607550042.db2.gz XKPIUSFMQCJFRM-UHFFFAOYSA-N -1 1 372.454 2.197 20 0 FEADMM CC(C)S(=O)(=O)Cc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000824338317 607550044 /nfs/dbraw/zinc/55/00/44/607550044.db2.gz XKPIUSFMQCJFRM-UHFFFAOYSA-N -1 1 372.454 2.197 20 0 FEADMM OCC1CCN(c2ccccc2NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826508975 607552759 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CCCN(C(=O)c1n[nH]c(C)c1Br)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739341109 602517063 /nfs/dbraw/zinc/51/70/63/602517063.db2.gz CINUFAZWRDGSOY-SECBINFHSA-N -1 1 359.224 2.085 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCCC1 ZINC000740613441 602540437 /nfs/dbraw/zinc/54/04/37/602540437.db2.gz RQTNZOJBIPZIMB-MRXNPFEDSA-N -1 1 357.410 2.474 20 0 FEADMM CN(C[C@H]1CCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1)C(=O)[O-] ZINC000739667164 602542465 /nfs/dbraw/zinc/54/24/65/602542465.db2.gz WKHYBHKFIKMMRV-GFCCVEGCSA-N -1 1 374.466 2.341 20 0 FEADMM CCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352146 602542686 /nfs/dbraw/zinc/54/26/86/602542686.db2.gz UMSGWBWLCRLKME-QWHCGFSZSA-N -1 1 365.396 2.252 20 0 FEADMM CCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352139 602542889 /nfs/dbraw/zinc/54/28/89/602542889.db2.gz UMSGWBWLCRLKME-CHWSQXEVSA-N -1 1 365.396 2.252 20 0 FEADMM CSCC[C@@H](NC(=O)[O-])C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000740012475 602545508 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FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739957458 602763243 /nfs/dbraw/zinc/76/32/43/602763243.db2.gz IAUWCWOBGXCDSQ-ORIJERBGSA-N -1 1 363.458 2.239 20 0 FEADMM C[C@H](NC(=O)[C@H]1CSCN1C(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000738956793 602791726 /nfs/dbraw/zinc/79/17/26/602791726.db2.gz GBPCQEKQBUXZPL-WRWORJQWSA-N -1 1 354.819 2.446 20 0 FEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825029181 607587241 /nfs/dbraw/zinc/58/72/41/607587241.db2.gz OKAQNHSIUVAZEL-LUAWRHEFSA-N -1 1 353.386 2.041 20 0 FEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825029181 607587243 /nfs/dbraw/zinc/58/72/43/607587243.db2.gz OKAQNHSIUVAZEL-LUAWRHEFSA-N -1 1 353.386 2.041 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)ccc1F ZINC000739610264 602808024 /nfs/dbraw/zinc/80/80/24/602808024.db2.gz PCJPEJJIRVZPJJ-CQSZACIVSA-N -1 1 366.437 2.077 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NC[C@@H]2CCCCN2C(=O)[O-])ccc1F ZINC000739610730 602808124 /nfs/dbraw/zinc/80/81/24/602808124.db2.gz XXTPRBXSZKAOGI-HNNXBMFYSA-N -1 1 366.437 2.219 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2ncc(C3(O)CCCCC3)s2)on1 ZINC000809776672 674509425 /nfs/dbraw/zinc/50/94/25/674509425.db2.gz NAVHRKWHJYKLJX-UHFFFAOYSA-N -1 1 351.384 2.322 20 0 FEADMM O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(Br)cc1[O-] ZINC000558722125 674513009 /nfs/dbraw/zinc/51/30/09/674513009.db2.gz YXOHRDJPPFFMNM-NWDGAFQWSA-N -1 1 353.216 2.038 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739137013 602959980 /nfs/dbraw/zinc/95/99/80/602959980.db2.gz PEPYAXMKWVIMGX-ZENOOKHLSA-N -1 1 366.437 2.211 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccnc1N1CCCCC1 ZINC000826467226 607601326 /nfs/dbraw/zinc/60/13/26/607601326.db2.gz MKLCYNHAEKFGKS-UHFFFAOYSA-N -1 1 365.397 2.004 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccnc1N1CCCCC1 ZINC000826467226 607601327 /nfs/dbraw/zinc/60/13/27/607601327.db2.gz MKLCYNHAEKFGKS-UHFFFAOYSA-N -1 1 365.397 2.004 20 0 FEADMM CCCc1nnc([C@H]2CN(C(=O)c3ccc(C)c(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000826955048 603080140 /nfs/dbraw/zinc/08/01/40/603080140.db2.gz YAQMGKSJNCEBNH-CQSZACIVSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(C)c(NC(=O)[O-])c3)CCO2)n1 ZINC000826955048 603080145 /nfs/dbraw/zinc/08/01/45/603080145.db2.gz YAQMGKSJNCEBNH-CQSZACIVSA-N -1 1 373.413 2.369 20 0 FEADMM CN(C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1)C(=O)[O-] ZINC000739658559 603083996 /nfs/dbraw/zinc/08/39/96/603083996.db2.gz FKBRINZKBNSFRX-DOMZBBRYSA-N -1 1 351.834 2.377 20 0 FEADMM CN(C[C@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1)C(=O)[O-] ZINC000739658559 603083999 /nfs/dbraw/zinc/08/39/99/603083999.db2.gz FKBRINZKBNSFRX-DOMZBBRYSA-N -1 1 351.834 2.377 20 0 FEADMM O=C([O-])COCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000635317691 677095329 /nfs/dbraw/zinc/09/53/29/677095329.db2.gz ZQFMUQFTBAYUOG-UHFFFAOYSA-N -1 1 354.204 2.030 20 0 FEADMM O=C([O-])NC1(C(=O)Nc2cnn(-c3ccncc3)c2)Cc2ccccc2C1 ZINC000740543015 603176110 /nfs/dbraw/zinc/17/61/10/603176110.db2.gz PFJCAPATXQMVIF-UHFFFAOYSA-N -1 1 363.377 2.011 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830084520 603233255 /nfs/dbraw/zinc/23/32/55/603233255.db2.gz JJQJPUCRDPOEIQ-MRXNPFEDSA-N -1 1 360.458 2.218 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827229106 603283845 /nfs/dbraw/zinc/28/38/45/603283845.db2.gz UQRSMOHDNKCSOQ-GFCCVEGCSA-N -1 1 368.865 2.467 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@@H](C)O1 ZINC000739184095 603327751 /nfs/dbraw/zinc/32/77/51/603327751.db2.gz UOHZSMPYWSLSAW-ZIAGYGMSSA-N -1 1 364.446 2.075 20 0 FEADMM O=C([O-])N[C@H](CC(=O)Nc1nc(-c2ccco2)n[nH]1)Cc1ccccc1 ZINC000832113386 603455094 /nfs/dbraw/zinc/45/50/94/603455094.db2.gz CDUOOPGZBGEITQ-LBPRGKRZSA-N -1 1 355.354 2.272 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000832757908 603564716 /nfs/dbraw/zinc/56/47/16/603564716.db2.gz QQSKRXALWIOVJT-BZSNNMDCSA-N -1 1 358.442 2.177 20 0 FEADMM C[C@@H]1CC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875943 607639884 /nfs/dbraw/zinc/63/98/84/607639884.db2.gz PRAYICZPMWEFFG-UWVGGRQHSA-N -1 1 353.423 2.109 20 0 FEADMM CC(C)[C@@H](CCN(C)C(=O)NCc1n[nH]c(-c2ccccc2)n1)NC(=O)[O-] ZINC000824086583 603662369 /nfs/dbraw/zinc/66/23/69/603662369.db2.gz UZFXTUZMUKXFKU-CQSZACIVSA-N -1 1 374.445 2.295 20 0 FEADMM CC(C)[C@@H](CCN(C)C(=O)NCc1nc(-c2ccccc2)n[nH]1)NC(=O)[O-] ZINC000824086583 603662373 /nfs/dbraw/zinc/66/23/73/603662373.db2.gz UZFXTUZMUKXFKU-CQSZACIVSA-N -1 1 374.445 2.295 20 0 FEADMM C[C@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])N1CCc2ccccc2C1 ZINC000824930133 603682586 /nfs/dbraw/zinc/68/25/86/603682586.db2.gz IZRVPJLHUHQJBQ-QAPCUYQASA-N -1 1 374.485 2.217 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3ccc(F)cc32)c(-c2nn[n-]n2)c1C ZINC000826341846 607645033 /nfs/dbraw/zinc/64/50/33/607645033.db2.gz RKOSISBZKCZGIK-UHFFFAOYSA-N -1 1 356.361 2.217 20 0 FEADMM O=S(=O)(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488727 607648271 /nfs/dbraw/zinc/64/82/71/607648271.db2.gz XQAMDGGQOAZIMR-JSGCOSHPSA-N -1 1 365.434 2.253 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000824991694 607654102 /nfs/dbraw/zinc/65/41/02/607654102.db2.gz FGLXAZAUHSJQLN-MEDUHNTESA-N -1 1 373.413 2.388 20 0 FEADMM O=C([O-])N1CCc2cccc(CNCC(=O)N3CCc4ccccc43)c21 ZINC000831493870 603860059 /nfs/dbraw/zinc/86/00/59/603860059.db2.gz VIVYLEUFSCNVGI-UHFFFAOYSA-N -1 1 351.406 2.406 20 0 FEADMM CN(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828115378 603977615 /nfs/dbraw/zinc/97/76/15/603977615.db2.gz SBQQAYDXNSNZSE-UHFFFAOYSA-N -1 1 360.458 2.300 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC[C@@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827993159 604046510 /nfs/dbraw/zinc/04/65/10/604046510.db2.gz ALERBRIDUQKKGL-SWLSCSKDSA-N -1 1 368.865 2.242 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)[O-])c[n-]c2[nH+]1 ZINC000830438720 604068530 /nfs/dbraw/zinc/06/85/30/604068530.db2.gz LABKJJKPYYDUIV-NEPJUHHUSA-N -1 1 356.382 2.001 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000827229055 604079455 /nfs/dbraw/zinc/07/94/55/604079455.db2.gz SUZLMTZIBIIFOT-UHFFFAOYSA-N -1 1 360.458 2.347 20 0 FEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000825629865 604104136 /nfs/dbraw/zinc/10/41/36/604104136.db2.gz JPJYLFYIOAWATC-CZUORRHYSA-N -1 1 351.422 2.419 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000825253022 604220368 /nfs/dbraw/zinc/22/03/68/604220368.db2.gz HXSQXJUIGBQPQW-KGLIPLIRSA-N -1 1 351.422 2.152 20 0 FEADMM CN(C[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1)C(=O)[O-] ZINC000828180108 604249880 /nfs/dbraw/zinc/24/98/80/604249880.db2.gz HNCVWYOZFGGIMV-ZDUSSCGKSA-N -1 1 358.402 2.121 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000825226728 604264756 /nfs/dbraw/zinc/26/47/56/604264756.db2.gz CIDAHEOOPROLBR-GXTWGEPZSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000825226728 604264759 /nfs/dbraw/zinc/26/47/59/604264759.db2.gz CIDAHEOOPROLBR-GXTWGEPZSA-N -1 1 372.429 2.049 20 0 FEADMM COc1cccc([C@H](CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)N(C)C)c1 ZINC000832533326 604269519 /nfs/dbraw/zinc/26/95/19/604269519.db2.gz LQIAHNIGHSKJNU-HNNXBMFYSA-N -1 1 359.426 2.371 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826523545 607682668 /nfs/dbraw/zinc/68/26/68/607682668.db2.gz PTUBLUBTJCZHQJ-OLZOCXBDSA-N -1 1 351.414 2.063 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826523545 607682669 /nfs/dbraw/zinc/68/26/69/607682669.db2.gz PTUBLUBTJCZHQJ-OLZOCXBDSA-N -1 1 351.414 2.063 20 0 FEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000539856264 604337748 /nfs/dbraw/zinc/33/77/48/604337748.db2.gz PNWBGHRNSQLKFD-UHFFFAOYSA-N -1 1 364.379 2.066 20 0 FEADMM Cc1cc(=O)oc2cc(OCCN(C)[C@H](COC(C)C)C(=O)[O-])ccc12 ZINC000832858626 604399568 /nfs/dbraw/zinc/39/95/68/604399568.db2.gz NSWMVEWGIHLLAE-MRXNPFEDSA-N -1 1 363.410 2.290 20 0 FEADMM O=C([O-])c1c(C2CC2)csc1NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000833161511 604423960 /nfs/dbraw/zinc/42/39/60/604423960.db2.gz DUTYOKBTKAQMFH-LLVKDONJSA-N -1 1 374.422 2.179 20 0 FEADMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000825383235 604615482 /nfs/dbraw/zinc/61/54/82/604615482.db2.gz NJNVFPUJIXAHPM-YOEHRIQHSA-N -1 1 360.458 2.395 20 0 FEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)n[nH]1 ZINC000833511911 604925720 /nfs/dbraw/zinc/92/57/20/604925720.db2.gz FBUVEYGMMRYAQI-MRVPVSSYSA-N -1 1 357.374 2.385 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])C12CCCC2 ZINC000833662247 604952539 /nfs/dbraw/zinc/95/25/39/604952539.db2.gz ZHWZEXBWEPVLDW-BZUAXINKSA-N -1 1 354.491 2.272 20 0 FEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000833513045 605004491 /nfs/dbraw/zinc/00/44/91/605004491.db2.gz ZJNXZSLPSZVPSW-MRVPVSSYSA-N -1 1 372.834 2.319 20 0 FEADMM Cc1cnc(N)c(S(=O)(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000833754061 605007024 /nfs/dbraw/zinc/00/70/24/605007024.db2.gz OAAILLZCQWCCIA-UHFFFAOYSA-N -1 1 365.411 2.017 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1C(=O)[O-])N1CCCC[C@H]1C ZINC000833615196 605017476 /nfs/dbraw/zinc/01/74/76/605017476.db2.gz KDPIHWRTAALETR-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833489382 605019751 /nfs/dbraw/zinc/01/97/51/605019751.db2.gz ZUFDYTUGDMMDNT-UHFFFAOYSA-N -1 1 372.462 2.265 20 0 FEADMM CC(C)(C)OC(=O)N1CC(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833431984 605024449 /nfs/dbraw/zinc/02/44/49/605024449.db2.gz ANXWRQAYFXQMDQ-UHFFFAOYSA-N -1 1 374.397 2.457 20 0 FEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CCN1C ZINC000325563991 605039562 /nfs/dbraw/zinc/03/95/62/605039562.db2.gz XOTMNLZCMJYDMA-MNOVXSKESA-N -1 1 368.480 2.361 20 0 FEADMM Cc1ccc(C[C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)c1 ZINC000833748608 605052344 /nfs/dbraw/zinc/05/23/44/605052344.db2.gz PQCZZXHYHCDGFZ-IRXDYDNUSA-N -1 1 361.486 2.425 20 0 FEADMM CC(=O)N1CC[C@H](N=c2nc(C)[nH]c3sc(C(=O)[O-])c(C)c32)[C@H](C)C1 ZINC000833394926 605062253 /nfs/dbraw/zinc/06/22/53/605062253.db2.gz VAQFLXMBIBLMIM-PELKAZGASA-N -1 1 362.455 2.097 20 0 FEADMM C[C@@H](Oc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1)C(=O)[O-] ZINC000833537817 605088370 /nfs/dbraw/zinc/08/83/70/605088370.db2.gz AXMMCICKGYBWQC-DNVCBOLYSA-N -1 1 368.433 2.429 20 0 FEADMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000824886185 607734123 /nfs/dbraw/zinc/73/41/23/607734123.db2.gz WLDBKTPSZDACOE-NWDGAFQWSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000824886185 607734124 /nfs/dbraw/zinc/73/41/24/607734124.db2.gz WLDBKTPSZDACOE-NWDGAFQWSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000833622579 605109333 /nfs/dbraw/zinc/10/93/33/605109333.db2.gz BYMUMWVTLHMJHA-LBPRGKRZSA-N -1 1 374.359 2.249 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(c2ccccc2)CCC1 ZINC000833624312 605136845 /nfs/dbraw/zinc/13/68/45/605136845.db2.gz KHBHOHTXCLYFDB-MRXNPFEDSA-N -1 1 359.470 2.299 20 0 FEADMM O=C([O-])N(CC(=O)NCCN1CCc2ccccc2C1)c1ccccc1 ZINC000831446322 605257261 /nfs/dbraw/zinc/25/72/61/605257261.db2.gz PDGBBWVDFJHYRQ-UHFFFAOYSA-N -1 1 353.422 2.346 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN[C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000833680656 605268072 /nfs/dbraw/zinc/26/80/72/605268072.db2.gz LRVVVEGVGOXQFG-CQSZACIVSA-N -1 1 366.439 2.429 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CN3C(=O)CC4(CCCCC4)C3=O)C[C@@H]21 ZINC000834177505 605322722 /nfs/dbraw/zinc/32/27/22/605322722.db2.gz CBMMTFVVDNPNNG-SOUVJXGZSA-N -1 1 363.458 2.021 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CCCS(=O)(=O)c3ccccc3)C[C@H]21 ZINC000834178285 605451286 /nfs/dbraw/zinc/45/12/86/605451286.db2.gz DXMJLQMEFCDWRB-USXIJHARSA-N -1 1 366.483 2.219 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ncccc1F ZINC000826340660 607758858 /nfs/dbraw/zinc/75/88/58/607758858.db2.gz GSNJIVMRDADOCH-UHFFFAOYSA-N -1 1 367.344 2.023 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ncccc1F ZINC000826340660 607758859 /nfs/dbraw/zinc/75/88/59/607758859.db2.gz GSNJIVMRDADOCH-UHFFFAOYSA-N -1 1 367.344 2.023 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC000833813502 605523873 /nfs/dbraw/zinc/52/38/73/605523873.db2.gz BDCPIDFKGOWXFO-NOLJZWGESA-N -1 1 366.437 2.116 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)C[C@H]1CSCCN1C(=O)[O-])c1ccco1 ZINC000827036041 605625015 /nfs/dbraw/zinc/62/50/15/605625015.db2.gz PBHCYDDMORCCJM-KBPBESRZSA-N -1 1 369.487 2.264 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC000833819002 605669455 /nfs/dbraw/zinc/66/94/55/605669455.db2.gz SLEXOOZEVRRXFR-NOLJZWGESA-N -1 1 366.437 2.116 20 0 FEADMM Cc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)ccc1NC(=O)[O-] ZINC000829930253 605695405 /nfs/dbraw/zinc/69/54/05/605695405.db2.gz MICVCDXQWBYTNF-UHFFFAOYSA-N -1 1 361.442 2.269 20 0 FEADMM Cc1oc(-c2ccsc2)nc1CONC(=N)[C@@H]1COCCN1C(=O)[O-] ZINC000833934260 605733064 /nfs/dbraw/zinc/73/30/64/605733064.db2.gz DLJVBDUZIMAOLH-LBPRGKRZSA-N -1 1 366.399 2.089 20 0 FEADMM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCN(CC(F)(F)F)C2=O)c2ccccc21 ZINC000834160125 605803070 /nfs/dbraw/zinc/80/30/70/605803070.db2.gz SCNJYYPMFXBGAW-YNEHKIRRSA-N -1 1 357.332 2.193 20 0 FEADMM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCN(CC(F)(F)F)C2=O)c2ccccc21 ZINC000834160122 605803256 /nfs/dbraw/zinc/80/32/56/605803256.db2.gz SCNJYYPMFXBGAW-RWMBFGLXSA-N -1 1 357.332 2.193 20 0 FEADMM O=C([O-])N[C@H]1C[C@@H](NCC(=O)NCCc2ccccc2)c2ccccc21 ZINC000834159544 605808818 /nfs/dbraw/zinc/80/88/18/605808818.db2.gz QKEJDMUKUJDTSR-MSOLQXFVSA-N -1 1 353.422 2.389 20 0 FEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000833480855 605811133 /nfs/dbraw/zinc/81/11/33/605811133.db2.gz JMALDPMQUCZYSC-KRWDZBQOSA-N -1 1 369.506 2.020 20 0 FEADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000834252404 605859859 /nfs/dbraw/zinc/85/98/59/605859859.db2.gz GTFYISYQOWYSJB-QAPCUYQASA-N -1 1 370.453 2.043 20 0 FEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCc3cccc(Cl)c3)C2)CC1 ZINC000834008215 605902486 /nfs/dbraw/zinc/90/24/86/605902486.db2.gz SZJWZSNAZWURFL-UHFFFAOYSA-N -1 1 365.861 2.422 20 0 FEADMM O=C([O-])N[C@@H](CNC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000834146777 605914823 /nfs/dbraw/zinc/91/48/23/605914823.db2.gz LZERQSBGXWJXDV-NSHDSACASA-N -1 1 367.203 2.101 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)C1CCCCC1 ZINC000820508479 606133619 /nfs/dbraw/zinc/13/36/19/606133619.db2.gz PQYLFCZENOTTNO-SNVBAGLBSA-N -1 1 363.443 2.265 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)C1CCCCC1 ZINC000820508479 606133621 /nfs/dbraw/zinc/13/36/21/606133621.db2.gz PQYLFCZENOTTNO-SNVBAGLBSA-N -1 1 363.443 2.265 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(-c2cccnc2)no1 ZINC000820512996 606137004 /nfs/dbraw/zinc/13/70/04/606137004.db2.gz RSSZGMVRNQCWSF-MRVPVSSYSA-N -1 1 369.366 2.291 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(-c2cccnc2)no1 ZINC000820512996 606137006 /nfs/dbraw/zinc/13/70/06/606137006.db2.gz RSSZGMVRNQCWSF-MRVPVSSYSA-N -1 1 369.366 2.291 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)CCc2ccccc2)n1 ZINC000822609541 606158772 /nfs/dbraw/zinc/15/87/72/606158772.db2.gz POUKIJBRGNJNLD-UHFFFAOYSA-N -1 1 354.418 2.133 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)CCc2ccccc2)n1 ZINC000822609541 606158773 /nfs/dbraw/zinc/15/87/73/606158773.db2.gz POUKIJBRGNJNLD-UHFFFAOYSA-N -1 1 354.418 2.133 20 0 FEADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000822351852 606161347 /nfs/dbraw/zinc/16/13/47/606161347.db2.gz RPIXTSFQWBHOPV-QWHCGFSZSA-N -1 1 366.429 2.319 20 0 FEADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000822351852 606161349 /nfs/dbraw/zinc/16/13/49/606161349.db2.gz RPIXTSFQWBHOPV-QWHCGFSZSA-N -1 1 366.429 2.319 20 0 FEADMM Cc1ccccc1[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000822350987 606161474 /nfs/dbraw/zinc/16/14/74/606161474.db2.gz ISACXFLDLTZZMX-CQSZACIVSA-N -1 1 354.418 2.427 20 0 FEADMM Cc1ccccc1[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000822350987 606161476 /nfs/dbraw/zinc/16/14/76/606161476.db2.gz ISACXFLDLTZZMX-CQSZACIVSA-N -1 1 354.418 2.427 20 0 FEADMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820177875 606167431 /nfs/dbraw/zinc/16/74/31/606167431.db2.gz BWXLZMZERZLQPD-LLVKDONJSA-N -1 1 370.417 2.270 20 0 FEADMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820177875 606167433 /nfs/dbraw/zinc/16/74/33/606167433.db2.gz BWXLZMZERZLQPD-LLVKDONJSA-N -1 1 370.417 2.270 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000820380470 606172473 /nfs/dbraw/zinc/17/24/73/606172473.db2.gz UINJRYVUHMOPIV-LLVKDONJSA-N -1 1 354.418 2.088 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000820380470 606172474 /nfs/dbraw/zinc/17/24/74/606172474.db2.gz UINJRYVUHMOPIV-LLVKDONJSA-N -1 1 354.418 2.088 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccn(-c2ccccc2F)n1 ZINC000823294682 606195957 /nfs/dbraw/zinc/19/59/57/606195957.db2.gz MWJXRCBBYLVZBO-UHFFFAOYSA-N -1 1 365.328 2.149 20 0 FEADMM CCC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)(C(=O)OC)CC1 ZINC000820972929 606278099 /nfs/dbraw/zinc/27/80/99/606278099.db2.gz RZPFONLJSLRAHG-UHFFFAOYSA-N -1 1 363.443 2.170 20 0 FEADMM CCC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)(C(=O)OC)CC1 ZINC000820972929 606278100 /nfs/dbraw/zinc/27/81/00/606278100.db2.gz RZPFONLJSLRAHG-UHFFFAOYSA-N -1 1 363.443 2.170 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821361706 606284274 /nfs/dbraw/zinc/28/42/74/606284274.db2.gz WRNFTHZHDFNDFS-GJZGRUSLSA-N -1 1 356.430 2.119 20 0 FEADMM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821361706 606284276 /nfs/dbraw/zinc/28/42/76/606284276.db2.gz WRNFTHZHDFNDFS-GJZGRUSLSA-N -1 1 356.430 2.119 20 0 FEADMM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823073964 606295634 /nfs/dbraw/zinc/29/56/34/606295634.db2.gz GTVHFFXTWOZZCX-UHFFFAOYSA-N -1 1 352.329 2.374 20 0 FEADMM COc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1 ZINC000821783087 606392016 /nfs/dbraw/zinc/39/20/16/606392016.db2.gz VZEWGCKGEMNBPW-WQLSENKSSA-N -1 1 353.363 2.281 20 0 FEADMM CS(=O)(=O)c1ccc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821938018 606462392 /nfs/dbraw/zinc/46/23/92/606462392.db2.gz VMSNOTSLXAHIKQ-UHFFFAOYSA-N -1 1 367.843 2.470 20 0 FEADMM CS(=O)(=O)c1ccc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821938018 606462393 /nfs/dbraw/zinc/46/23/93/606462393.db2.gz VMSNOTSLXAHIKQ-UHFFFAOYSA-N -1 1 367.843 2.470 20 0 FEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CC1CCC1)c1ccccc1 ZINC000823601199 606474423 /nfs/dbraw/zinc/47/44/23/606474423.db2.gz VUIHIHZDBQZPGD-UHFFFAOYSA-N -1 1 370.438 2.257 20 0 FEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CC1CCC1)c1ccccc1 ZINC000823601199 606474425 /nfs/dbraw/zinc/47/44/25/606474425.db2.gz VUIHIHZDBQZPGD-UHFFFAOYSA-N -1 1 370.438 2.257 20 0 FEADMM O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350229 606494968 /nfs/dbraw/zinc/49/49/68/606494968.db2.gz FIQKVXWNBYRRMB-UHFFFAOYSA-N -1 1 354.395 2.307 20 0 FEADMM O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350229 606494969 /nfs/dbraw/zinc/49/49/69/606494969.db2.gz FIQKVXWNBYRRMB-UHFFFAOYSA-N -1 1 354.395 2.307 20 0 FEADMM O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454681 606497933 /nfs/dbraw/zinc/49/79/33/606497933.db2.gz QVQIWIVJUIXDDL-UHFFFAOYSA-N -1 1 355.379 2.274 20 0 FEADMM O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454681 606497935 /nfs/dbraw/zinc/49/79/35/606497935.db2.gz QVQIWIVJUIXDDL-UHFFFAOYSA-N -1 1 355.379 2.274 20 0 FEADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821615958 606514896 /nfs/dbraw/zinc/51/48/96/606514896.db2.gz WHDPRCPLWYGJSF-UHFFFAOYSA-N -1 1 365.422 2.386 20 0 FEADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821615958 606514897 /nfs/dbraw/zinc/51/48/97/606514897.db2.gz WHDPRCPLWYGJSF-UHFFFAOYSA-N -1 1 365.422 2.386 20 0 FEADMM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823176739 606533740 /nfs/dbraw/zinc/53/37/40/606533740.db2.gz XZHDMCRUHBCZKD-LLVKDONJSA-N -1 1 372.429 2.324 20 0 FEADMM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176739 606533742 /nfs/dbraw/zinc/53/37/42/606533742.db2.gz XZHDMCRUHBCZKD-LLVKDONJSA-N -1 1 372.429 2.324 20 0 FEADMM O=C(Nc1cc(Br)c[nH]c1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823299344 606535505 /nfs/dbraw/zinc/53/55/05/606535505.db2.gz SVYLEXHCSNAYDC-UHFFFAOYSA-N -1 1 367.188 2.044 20 0 FEADMM O=C(Nc1cc(Br)c[nH]c1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823299344 606535506 /nfs/dbraw/zinc/53/55/06/606535506.db2.gz SVYLEXHCSNAYDC-UHFFFAOYSA-N -1 1 367.188 2.044 20 0 FEADMM CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821598342 606544373 /nfs/dbraw/zinc/54/43/73/606544373.db2.gz ZFJHOHVZUPGDHB-CYBMUJFWSA-N -1 1 355.423 2.314 20 0 FEADMM CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821598342 606544376 /nfs/dbraw/zinc/54/43/76/606544376.db2.gz ZFJHOHVZUPGDHB-CYBMUJFWSA-N -1 1 355.423 2.314 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(-c3nn[nH]n3)cs2)c1 ZINC000819834096 606561874 /nfs/dbraw/zinc/56/18/74/606561874.db2.gz LSRQMRHGDGXMJQ-UHFFFAOYSA-N -1 1 358.379 2.236 20 0 FEADMM O=C(NCCNc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823202162 606571559 /nfs/dbraw/zinc/57/15/59/606571559.db2.gz RKWOLCUKHCJNDI-UHFFFAOYSA-N -1 1 365.422 2.318 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3cccc(F)c3)CC2)n1 ZINC000822609246 606578451 /nfs/dbraw/zinc/57/84/51/606578451.db2.gz KXKKLIDQFIDPNT-UHFFFAOYSA-N -1 1 370.392 2.151 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3cccc(F)c3)CC2)n1 ZINC000822609246 606578452 /nfs/dbraw/zinc/57/84/52/606578452.db2.gz KXKKLIDQFIDPNT-UHFFFAOYSA-N -1 1 370.392 2.151 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000823478073 606641590 /nfs/dbraw/zinc/64/15/90/606641590.db2.gz FNZAAXGOFWSXAA-JSGCOSHPSA-N -1 1 370.438 2.052 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000823478073 606641591 /nfs/dbraw/zinc/64/15/91/606641591.db2.gz FNZAAXGOFWSXAA-JSGCOSHPSA-N -1 1 370.438 2.052 20 0 FEADMM CC1=NN(c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000820642780 606650755 /nfs/dbraw/zinc/65/07/55/606650755.db2.gz LOFJJILPVYHGNK-UHFFFAOYSA-N -1 1 363.381 2.205 20 0 FEADMM CC1=NN(c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000820642780 606650756 /nfs/dbraw/zinc/65/07/56/606650756.db2.gz LOFJJILPVYHGNK-UHFFFAOYSA-N -1 1 363.381 2.205 20 0 FEADMM O=C(CSc1ccc(F)c(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823066171 606652043 /nfs/dbraw/zinc/65/20/43/606652043.db2.gz NUMONNMHCJSINW-UHFFFAOYSA-N -1 1 363.349 2.375 20 0 FEADMM O=C(CSc1ccc(F)c(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823066171 606652044 /nfs/dbraw/zinc/65/20/44/606652044.db2.gz NUMONNMHCJSINW-UHFFFAOYSA-N -1 1 363.349 2.375 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCC2CC2)cc1 ZINC000823436095 606652280 /nfs/dbraw/zinc/65/22/80/606652280.db2.gz GNEKIGRWLIASQC-UHFFFAOYSA-N -1 1 351.366 2.408 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCC2CC2)cc1 ZINC000823436095 606652281 /nfs/dbraw/zinc/65/22/81/606652281.db2.gz GNEKIGRWLIASQC-UHFFFAOYSA-N -1 1 351.366 2.408 20 0 FEADMM CCOc1cccc(CNc2nccnc2-c2nnn[n-]2)c1OC(F)F ZINC000821431270 606799387 /nfs/dbraw/zinc/79/93/87/606799387.db2.gz OCIWYFUKXLXFTA-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM CCOc1cccc(CNc2nccnc2-c2nn[n-]n2)c1OC(F)F ZINC000821431270 606799389 /nfs/dbraw/zinc/79/93/89/606799389.db2.gz OCIWYFUKXLXFTA-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM C[C@H](c1cccs1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820570769 606841543 /nfs/dbraw/zinc/84/15/43/606841543.db2.gz QZSKULDLMCXEPX-SECBINFHSA-N -1 1 367.431 2.449 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1C1CCCC1 ZINC000823605940 606842836 /nfs/dbraw/zinc/84/28/36/606842836.db2.gz DJAKZNMLGMXSDI-AWEZNQCLSA-N -1 1 365.434 2.349 20 0 FEADMM Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822237442 606843981 /nfs/dbraw/zinc/84/39/81/606843981.db2.gz UBWIJKUKBHMWCP-UHFFFAOYSA-N -1 1 367.431 2.196 20 0 FEADMM CCc1nnc(Oc2ccc(C(=O)N(C)C)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548677 606911756 /nfs/dbraw/zinc/91/17/56/606911756.db2.gz TVWFQQAQODCEHZ-UHFFFAOYSA-N -1 1 367.413 2.276 20 0 FEADMM CCc1nnc(Oc2ccc(C(=O)N(C)C)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548677 606911757 /nfs/dbraw/zinc/91/17/57/606911757.db2.gz TVWFQQAQODCEHZ-UHFFFAOYSA-N -1 1 367.413 2.276 20 0 FEADMM CCc1nnc(Oc2cccc(CC(=O)OC)c2)c(-c2nnn[n-]2)c1CC ZINC000821548620 606934791 /nfs/dbraw/zinc/93/47/91/606934791.db2.gz QVXXTLHKVZJXOH-UHFFFAOYSA-N -1 1 368.397 2.289 20 0 FEADMM CCc1nnc(Oc2cccc(CC(=O)OC)c2)c(-c2nn[n-]n2)c1CC ZINC000821548620 606934793 /nfs/dbraw/zinc/93/47/93/606934793.db2.gz QVXXTLHKVZJXOH-UHFFFAOYSA-N -1 1 368.397 2.289 20 0 FEADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc2O1 ZINC000820590341 607054609 /nfs/dbraw/zinc/05/46/09/607054609.db2.gz SJUQEWXPXOKZCI-AWEZNQCLSA-N -1 1 368.372 2.433 20 0 FEADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc2O1 ZINC000820590341 607054611 /nfs/dbraw/zinc/05/46/11/607054611.db2.gz SJUQEWXPXOKZCI-AWEZNQCLSA-N -1 1 368.372 2.433 20 0 FEADMM O=C(Cc1ccc(OC(F)F)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823083140 607108744 /nfs/dbraw/zinc/10/87/44/607108744.db2.gz YLFYKUBMPKBDRX-UHFFFAOYSA-N -1 1 352.326 2.106 20 0 FEADMM O=C(Cc1ccc(OC(F)F)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823083140 607108745 /nfs/dbraw/zinc/10/87/45/607108745.db2.gz YLFYKUBMPKBDRX-UHFFFAOYSA-N -1 1 352.326 2.106 20 0 FEADMM C[C@@H](Cc1ccccc1Br)Nc1nccnc1-c1nnn[n-]1 ZINC000820299514 607114096 /nfs/dbraw/zinc/11/40/96/607114096.db2.gz HGNRGISIQKFCQF-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM C[C@@H](Cc1ccccc1Br)Nc1nccnc1-c1nn[n-]n1 ZINC000820299514 607114097 /nfs/dbraw/zinc/11/40/97/607114097.db2.gz HGNRGISIQKFCQF-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM Cc1cc(Cl)ncc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826267583 607812068 /nfs/dbraw/zinc/81/20/68/607812068.db2.gz LWHSJBLKPXMSIU-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM Cc1cc(Cl)ncc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826267583 607812069 /nfs/dbraw/zinc/81/20/69/607812069.db2.gz LWHSJBLKPXMSIU-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826211561 607867728 /nfs/dbraw/zinc/86/77/28/607867728.db2.gz KFPSZWVVZQCFOU-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826211561 607867729 /nfs/dbraw/zinc/86/77/29/607867729.db2.gz KFPSZWVVZQCFOU-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000826493340 607867991 /nfs/dbraw/zinc/86/79/91/607867991.db2.gz GIHGCYVXQJRORU-UHFFFAOYSA-N -1 1 360.779 2.488 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000826493340 607867992 /nfs/dbraw/zinc/86/79/92/607867992.db2.gz GIHGCYVXQJRORU-UHFFFAOYSA-N -1 1 360.779 2.488 20 0 FEADMM O[C@@H](COCc1cccs1)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826504222 607875062 /nfs/dbraw/zinc/87/50/62/607875062.db2.gz PZDPGRJHRCVYEX-JTQLQIEISA-N -1 1 350.375 2.024 20 0 FEADMM O[C@@H](COCc1cccs1)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826504222 607875063 /nfs/dbraw/zinc/87/50/63/607875063.db2.gz PZDPGRJHRCVYEX-JTQLQIEISA-N -1 1 350.375 2.024 20 0 FEADMM FC(F)(F)c1cc([C@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC000826368607 607902416 /nfs/dbraw/zinc/90/24/16/607902416.db2.gz VWXJRSCTXPIIPG-VIFPVBQESA-N -1 1 364.335 2.388 20 0 FEADMM FC(F)(F)c1cc([C@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC000826368607 607902417 /nfs/dbraw/zinc/90/24/17/607902417.db2.gz VWXJRSCTXPIIPG-VIFPVBQESA-N -1 1 364.335 2.388 20 0 FEADMM O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826507210 607936846 /nfs/dbraw/zinc/93/68/46/607936846.db2.gz KKZVBLMFNAYISP-AAEUAGOBSA-N -1 1 360.780 2.367 20 0 FEADMM O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826507210 607936847 /nfs/dbraw/zinc/93/68/47/607936847.db2.gz KKZVBLMFNAYISP-AAEUAGOBSA-N -1 1 360.780 2.367 20 0 FEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2nc(Cl)ccc2F)n1 ZINC000824148041 608005431 /nfs/dbraw/zinc/00/54/31/608005431.db2.gz LCCDQYGGNHHMPS-UHFFFAOYSA-N -1 1 364.772 2.258 20 0 FEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2nc(Cl)ccc2F)n1 ZINC000824148041 608005432 /nfs/dbraw/zinc/00/54/32/608005432.db2.gz LCCDQYGGNHHMPS-UHFFFAOYSA-N -1 1 364.772 2.258 20 0 FEADMM Cc1nnc(Oc2ccc3c(c2)CCCC(=O)N3)c(-c2nnn[n-]2)c1C ZINC000826336686 608150040 /nfs/dbraw/zinc/15/00/40/608150040.db2.gz JMTUWOYKDXPSNL-UHFFFAOYSA-N -1 1 351.370 2.341 20 0 FEADMM Cc1nnc(Oc2ccc3c(c2)CCCC(=O)N3)c(-c2nn[n-]n2)c1C ZINC000826336686 608150041 /nfs/dbraw/zinc/15/00/41/608150041.db2.gz JMTUWOYKDXPSNL-UHFFFAOYSA-N -1 1 351.370 2.341 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ncccc1C(F)(F)F ZINC000826451342 608168382 /nfs/dbraw/zinc/16/83/82/608168382.db2.gz BQZQVUGLQYCRFB-UHFFFAOYSA-N -1 1 350.260 2.238 20 0 FEADMM Clc1nsc(Sc2nnnn2C2CCCC2)c1-c1nnn[n-]1 ZINC000826354391 608172878 /nfs/dbraw/zinc/17/28/78/608172878.db2.gz AVELGFQOJVOOOL-UHFFFAOYSA-N -1 1 355.840 2.229 20 0 FEADMM Clc1nsc(Sc2nnnn2C2CCCC2)c1-c1nn[n-]n1 ZINC000826354391 608172880 /nfs/dbraw/zinc/17/28/80/608172880.db2.gz AVELGFQOJVOOOL-UHFFFAOYSA-N -1 1 355.840 2.229 20 0 FEADMM COc1cc(CCNc2snc(Cl)c2-c2nnn[n-]2)ccc1O ZINC000826178735 608183939 /nfs/dbraw/zinc/18/39/39/608183939.db2.gz JYTZXNTYXCFBCC-UHFFFAOYSA-N -1 1 352.807 2.345 20 0 FEADMM COc1cc(CCNc2snc(Cl)c2-c2nn[n-]n2)ccc1O ZINC000826178735 608183940 /nfs/dbraw/zinc/18/39/40/608183940.db2.gz JYTZXNTYXCFBCC-UHFFFAOYSA-N -1 1 352.807 2.345 20 0 FEADMM CCOC(=O)CCN(CC1CC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825512055 608190618 /nfs/dbraw/zinc/19/06/18/608190618.db2.gz RBWYNHQTEJANQI-UHFFFAOYSA-N -1 1 356.839 2.146 20 0 FEADMM CCOC(=O)CCN(CC1CC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825512055 608190619 /nfs/dbraw/zinc/19/06/19/608190619.db2.gz RBWYNHQTEJANQI-UHFFFAOYSA-N -1 1 356.839 2.146 20 0 FEADMM CCC[C@H]1SCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825261258 608236354 /nfs/dbraw/zinc/23/63/54/608236354.db2.gz VLPOGHCSFALPFR-LLVKDONJSA-N -1 1 373.891 2.384 20 0 FEADMM CCC[C@H]1SCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825261258 608236355 /nfs/dbraw/zinc/23/63/55/608236355.db2.gz VLPOGHCSFALPFR-LLVKDONJSA-N -1 1 373.891 2.384 20 0 FEADMM Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826294643 608294723 /nfs/dbraw/zinc/29/47/23/608294723.db2.gz XZPAQJIUHITTMJ-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000824447943 608306372 /nfs/dbraw/zinc/30/63/72/608306372.db2.gz DWGPTTMDSXCUIS-GFCCVEGCSA-N -1 1 368.445 2.476 20 0 FEADMM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000824447943 608306373 /nfs/dbraw/zinc/30/63/73/608306373.db2.gz DWGPTTMDSXCUIS-GFCCVEGCSA-N -1 1 368.445 2.476 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000826232770 608313837 /nfs/dbraw/zinc/31/38/37/608313837.db2.gz HVTBYKXRAXUDMJ-MNOVXSKESA-N -1 1 358.446 2.021 20 0 FEADMM Clc1ccc(OC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826352545 608397207 /nfs/dbraw/zinc/39/72/07/608397207.db2.gz FSINEFPNCHEZAQ-GFCCVEGCSA-N -1 1 357.805 2.358 20 0 FEADMM Clc1ccc(OC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826352545 608397208 /nfs/dbraw/zinc/39/72/08/608397208.db2.gz FSINEFPNCHEZAQ-GFCCVEGCSA-N -1 1 357.805 2.358 20 0 FEADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825907924 608407721 /nfs/dbraw/zinc/40/77/21/608407721.db2.gz DFYPTCBOBYUFCL-PBHICJAKSA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825907924 608407723 /nfs/dbraw/zinc/40/77/23/608407723.db2.gz DFYPTCBOBYUFCL-PBHICJAKSA-N -1 1 351.414 2.261 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@@H](Nc2ccc(-c4nnn[n-]4)nn2)C3)cc1 ZINC000826519010 608409354 /nfs/dbraw/zinc/40/93/54/608409354.db2.gz GLZXPUZTXFYGAL-CQSZACIVSA-N -1 1 371.408 2.083 20 0 FEADMM c1ccc(-c2ncc3c(n2)CC[C@@H](Nc2ccc(-c4nn[n-]n4)nn2)C3)cc1 ZINC000826519010 608409356 /nfs/dbraw/zinc/40/93/56/608409356.db2.gz GLZXPUZTXFYGAL-CQSZACIVSA-N -1 1 371.408 2.083 20 0 FEADMM CC(C)N(CCCNc1ccc(-c2nnn[n-]2)nn1)C(=O)OC(C)(C)C ZINC000824288573 608413553 /nfs/dbraw/zinc/41/35/53/608413553.db2.gz JOGRFVXOYBMRHY-UHFFFAOYSA-N -1 1 362.438 2.104 20 0 FEADMM CC(C)N(CCCNc1ccc(-c2nn[n-]n2)nn1)C(=O)OC(C)(C)C ZINC000824288573 608413554 /nfs/dbraw/zinc/41/35/54/608413554.db2.gz JOGRFVXOYBMRHY-UHFFFAOYSA-N -1 1 362.438 2.104 20 0 FEADMM CC(C)(C)OC(=O)Cc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824098829 608425272 /nfs/dbraw/zinc/42/52/72/608425272.db2.gz ARWMPVQDJBUFRG-UHFFFAOYSA-N -1 1 353.386 2.285 20 0 FEADMM CC(C)(C)OC(=O)Cc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824098829 608425273 /nfs/dbraw/zinc/42/52/73/608425273.db2.gz ARWMPVQDJBUFRG-UHFFFAOYSA-N -1 1 353.386 2.285 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)C1CCCCC1 ZINC000825923095 608558155 /nfs/dbraw/zinc/55/81/55/608558155.db2.gz BSSLUKUAULRRTK-UHFFFAOYSA-N -1 1 374.493 2.170 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)C1CCCCC1 ZINC000825923095 608558156 /nfs/dbraw/zinc/55/81/56/608558156.db2.gz BSSLUKUAULRRTK-UHFFFAOYSA-N -1 1 374.493 2.170 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=C1CCC(C)(C)CC1 ZINC000825923470 608559321 /nfs/dbraw/zinc/55/93/21/608559321.db2.gz JFTIELBKOYBHSK-UHFFFAOYSA-N -1 1 372.477 2.090 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=C1CCC(C)(C)CC1 ZINC000825923470 608559323 /nfs/dbraw/zinc/55/93/23/608559323.db2.gz JFTIELBKOYBHSK-UHFFFAOYSA-N -1 1 372.477 2.090 20 0 FEADMM O=C(OCc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826467728 609240077 /nfs/dbraw/zinc/24/00/77/609240077.db2.gz JOCKPOIFEOPCEY-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM O=C(OCc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826467728 609240079 /nfs/dbraw/zinc/24/00/79/609240079.db2.gz JOCKPOIFEOPCEY-UHFFFAOYSA-N -1 1 351.153 2.321 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824867686 609257145 /nfs/dbraw/zinc/25/71/45/609257145.db2.gz QKDTUWWRGOPWIW-VXGBXAGGSA-N -1 1 374.493 2.025 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824867686 609257147 /nfs/dbraw/zinc/25/71/47/609257147.db2.gz QKDTUWWRGOPWIW-VXGBXAGGSA-N -1 1 374.493 2.025 20 0 FEADMM CC[C@@H]1CC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000825184393 609289113 /nfs/dbraw/zinc/28/91/13/609289113.db2.gz TUKVQIDDAXBPBZ-ZWNOBZJWSA-N -1 1 371.376 2.088 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824991482 609610334 /nfs/dbraw/zinc/61/03/34/609610334.db2.gz BLIDAXUDPWTMQF-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824991482 609610336 /nfs/dbraw/zinc/61/03/36/609610336.db2.gz BLIDAXUDPWTMQF-JTQLQIEISA-N -1 1 353.423 2.063 20 0 FEADMM Cc1ncsc1/C=C/C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810901035 674567476 /nfs/dbraw/zinc/56/74/76/674567476.db2.gz MZGHHRHHUMWKCK-SGUJLRQBSA-N -1 1 361.389 2.382 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000560359486 674580118 /nfs/dbraw/zinc/58/01/18/674580118.db2.gz ILBIJTPIZVEHOC-UHFFFAOYSA-N -1 1 364.408 2.341 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCSC[C@@H]2C2CC2)c(=O)[n-]1 ZINC000560456208 674589474 /nfs/dbraw/zinc/58/94/74/674589474.db2.gz SLEFFNKEEZXXPX-CYBMUJFWSA-N -1 1 353.513 2.499 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)N[C@@H]2CCC(F)(F)C2)C1)C(F)(F)F ZINC000811894909 674636713 /nfs/dbraw/zinc/63/67/13/674636713.db2.gz DFYMYXGFWNUGJG-NXEZZACHSA-N -1 1 357.323 2.274 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000812362739 674670063 /nfs/dbraw/zinc/67/00/63/674670063.db2.gz JDJQENVNCZELLA-LLVKDONJSA-N -1 1 366.414 2.257 20 0 FEADMM 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20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000582273761 671984460 /nfs/dbraw/zinc/98/44/60/671984460.db2.gz HYXDHOZTADOMNI-UHFFFAOYSA-N -1 1 367.280 2.155 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000582299340 671987517 /nfs/dbraw/zinc/98/75/17/671987517.db2.gz IGCLLUNCAPDAPI-KCXAZCMYSA-N -1 1 351.422 2.181 20 0 FEADMM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)on1 ZINC000582349175 671992725 /nfs/dbraw/zinc/99/27/25/671992725.db2.gz HPVZJJBTPPFPES-UHFFFAOYSA-N -1 1 360.819 2.386 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C(C)(C)C)c(F)c1 ZINC000582542959 672011477 /nfs/dbraw/zinc/01/14/77/672011477.db2.gz IUWWWLMAXUELEA-UHFFFAOYSA-N -1 1 366.480 2.396 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2cc3ccccc3s2)c1Cl ZINC000126425300 672024625 /nfs/dbraw/zinc/02/46/25/672024625.db2.gz HWMPRRIBFBJGCQ-JTQLQIEISA-N -1 1 371.871 2.300 20 0 FEADMM C[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1cccc(Br)c1 ZINC000582759289 672031280 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2.164 20 0 FEADMM Cc1nc(CC2CC2)sc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000682823357 672790879 /nfs/dbraw/zinc/79/08/79/672790879.db2.gz MJTGAPJJFZHWTG-AWEZNQCLSA-N -1 1 354.439 2.437 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccn1 ZINC000682903297 672798359 /nfs/dbraw/zinc/79/83/59/672798359.db2.gz CMEANIIMGNQRDP-UHFFFAOYSA-N -1 1 360.222 2.305 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc(Cl)c1[O-] ZINC000683354478 672835169 /nfs/dbraw/zinc/83/51/69/672835169.db2.gz SCNAWAKIVXURGI-DRCTWCGVSA-N -1 1 352.818 2.170 20 0 FEADMM CCC[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1nn[nH]n1 ZINC000612060062 676066872 /nfs/dbraw/zinc/06/68/72/676066872.db2.gz GZKCEWZVESYTAP-NSHDSACASA-N -1 1 361.793 2.016 20 0 FEADMM NS(=O)(=O)c1ccc(CCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000683592072 672857513 /nfs/dbraw/zinc/85/75/13/672857513.db2.gz JXBUMZDKLDMAKQ-UHFFFAOYSA-N -1 1 363.370 2.014 20 0 FEADMM O=C1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)N1 ZINC000683952415 672888917 /nfs/dbraw/zinc/88/89/17/672888917.db2.gz WHYGXRMMLBCUQR-ZETCQYMHSA-N -1 1 355.218 2.080 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000255581691 672893880 /nfs/dbraw/zinc/89/38/80/672893880.db2.gz CSYNDKVTMVKHNR-BAQGIRSFSA-N -1 1 352.799 2.345 20 0 FEADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cc4c(cc3C)OCO4)cc12 ZINC000684558688 672941242 /nfs/dbraw/zinc/94/12/42/672941242.db2.gz TXRVMZXDPUCALN-UHFFFAOYSA-N -1 1 360.395 2.115 20 0 FEADMM O=C1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)N1 ZINC000684762830 672963667 /nfs/dbraw/zinc/96/36/67/672963667.db2.gz LNSDKNUABVUXEP-QMMMGPOBSA-N -1 1 355.218 2.080 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287372962 672984781 /nfs/dbraw/zinc/98/47/81/672984781.db2.gz MZAWUVNOLPUUTR-VXGBXAGGSA-N -1 1 369.443 2.265 20 0 FEADMM COC(=O)c1ccc(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)o1 ZINC000298388137 673014222 /nfs/dbraw/zinc/01/42/22/673014222.db2.gz ISXHXVQKJLPJAP-UHFFFAOYSA-N -1 1 366.395 2.268 20 0 FEADMM C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000310859365 673025919 /nfs/dbraw/zinc/02/59/19/673025919.db2.gz CEJDWDWQRXNTAW-CQSZACIVSA-N -1 1 362.451 2.184 20 0 FEADMM NC(=O)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000685880980 673051167 /nfs/dbraw/zinc/05/11/67/673051167.db2.gz QWTCRYOIGWGHPK-UHFFFAOYSA-N -1 1 352.312 2.369 20 0 FEADMM Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000326680337 673054622 /nfs/dbraw/zinc/05/46/22/673054622.db2.gz NNWKHWGNWMPNPQ-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000326839518 673055699 /nfs/dbraw/zinc/05/56/99/673055699.db2.gz LDVHIDSRHZHDAN-LBPRGKRZSA-N -1 1 360.363 2.046 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1C(=O)[O-] ZINC000326920539 673055938 /nfs/dbraw/zinc/05/59/38/673055938.db2.gz RIHKTAWWILWTKC-UHFFFAOYSA-N -1 1 360.395 2.193 20 0 FEADMM CCN(C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)C(C)(C)C(=O)[O-] ZINC000327578542 673061185 /nfs/dbraw/zinc/06/11/85/673061185.db2.gz GFVQKVMJXYEBFC-OAHLLOKOSA-N -1 1 351.447 2.193 20 0 FEADMM CO[C@H]1C[C@H](CNC(=O)c2cc(I)ccc2[O-])C1 ZINC000714549230 673072362 /nfs/dbraw/zinc/07/23/62/673072362.db2.gz NYMCQHACXRXZMP-CZMCAQCFSA-N -1 1 361.179 2.152 20 0 FEADMM COCCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594449116 673073908 /nfs/dbraw/zinc/07/39/08/673073908.db2.gz URNNYUOYUYXEEE-UHFFFAOYSA-N -1 1 367.826 2.361 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000594488421 673091627 /nfs/dbraw/zinc/09/16/27/673091627.db2.gz YCPBKJNXNIGOME-CQSZACIVSA-N -1 1 366.439 2.077 20 0 FEADMM CC1(C)C[C@H](c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CCO1 ZINC000351171648 673132995 /nfs/dbraw/zinc/13/29/95/673132995.db2.gz CDIWFXYIGVSIAP-SNVBAGLBSA-N -1 1 357.457 2.282 20 0 FEADMM Cc1ccc(-c2csc(NC(=O)CCn3cc[n-]c(=O)c3=O)n2)s1 ZINC000726869952 673144765 /nfs/dbraw/zinc/14/47/65/673144765.db2.gz YQLGSSHZPPRTFR-UHFFFAOYSA-N -1 1 362.436 2.059 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c(F)c1 ZINC000594857635 673166860 /nfs/dbraw/zinc/16/68/60/673166860.db2.gz MMSDYDIJYARTGW-CYBMUJFWSA-N -1 1 351.346 2.326 20 0 FEADMM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1cccc2c1COC2=O ZINC000728855073 673213251 /nfs/dbraw/zinc/21/32/51/673213251.db2.gz WMDLBXNTIGUXBB-UHFFFAOYSA-N -1 1 369.301 2.134 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)cc1C ZINC000595303703 673219345 /nfs/dbraw/zinc/21/93/45/673219345.db2.gz IUXLBHXDPKOYBB-JTQLQIEISA-N -1 1 367.379 2.143 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)cc1C ZINC000595309982 673220626 /nfs/dbraw/zinc/22/06/26/673220626.db2.gz PYIPRECIVCMKLT-GFCCVEGCSA-N -1 1 372.468 2.017 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2cccc(F)c2F)cc1C ZINC000595315128 673222250 /nfs/dbraw/zinc/22/22/50/673222250.db2.gz XSCSQWAAHHOXSM-UHFFFAOYSA-N -1 1 359.350 2.174 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCCc2ccccc2F)cc1C ZINC000595327572 673225526 /nfs/dbraw/zinc/22/55/26/673225526.db2.gz PVMRVWMYEJGCQQ-UHFFFAOYSA-N -1 1 355.387 2.425 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C(C)(C)c2ccc(C)nc2)cc1C ZINC000595329095 673225745 /nfs/dbraw/zinc/22/57/45/673225745.db2.gz MVMSITAEANUYIW-UHFFFAOYSA-N -1 1 352.412 2.292 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)cc1C ZINC000595331730 673226367 /nfs/dbraw/zinc/22/63/67/673226367.db2.gz BXVHWPWNMSNFMB-YGRLFVJLSA-N -1 1 351.380 2.175 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)CCCc2cccnc2)cc1C ZINC000595339268 673227309 /nfs/dbraw/zinc/22/73/09/673227309.db2.gz WMPSHMACQGPPBJ-CYBMUJFWSA-N -1 1 366.439 2.459 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1onc2c1CCCC2 ZINC000613249671 676119734 /nfs/dbraw/zinc/11/97/34/676119734.db2.gz HICUTJUSXUFHOI-UHFFFAOYSA-N -1 1 353.375 2.316 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1cccc(I)c1 ZINC000730099323 673261649 /nfs/dbraw/zinc/26/16/49/673261649.db2.gz LYZACEHJNLYOFC-UHFFFAOYSA-N -1 1 364.164 2.090 20 0 FEADMM CC[C@]([N-]S(=O)(=O)c1ccc(Cl)nc1)(C(=O)OC)c1ccccc1 ZINC000730421366 673280721 /nfs/dbraw/zinc/28/07/21/673280721.db2.gz VCGRARNRWCMMCY-MRXNPFEDSA-N -1 1 368.842 2.492 20 0 FEADMM CC(C)(C(=O)[O-])C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000596000398 673347233 /nfs/dbraw/zinc/34/72/33/673347233.db2.gz VAFBRKKOMYGZRJ-UHFFFAOYSA-N -1 1 373.150 2.217 20 0 FEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccccc1I ZINC000732217747 673358320 /nfs/dbraw/zinc/35/83/20/673358320.db2.gz XFWDQECKQCWUOY-UHFFFAOYSA-N -1 1 364.164 2.090 20 0 FEADMM COC(=O)[C@@](C)(CN=c1nc(C2CCOCC2)[n-]s1)c1ccccc1 ZINC000596205441 673367681 /nfs/dbraw/zinc/36/76/81/673367681.db2.gz HWCMSUCJDUGJEM-SFHVURJKSA-N -1 1 361.467 2.397 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)cc1C ZINC000536698985 673376838 /nfs/dbraw/zinc/37/68/38/673376838.db2.gz PSMFPILZIAXDSH-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(F)(F)F ZINC000733320715 673409597 /nfs/dbraw/zinc/40/95/97/673409597.db2.gz RZDYRHJMSSXNHZ-ZCFIWIBFSA-N -1 1 353.149 2.244 20 0 FEADMM CC(C)(C)c1ncc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000538950851 673468087 /nfs/dbraw/zinc/46/80/87/673468087.db2.gz AXHBURIQMVSPJG-UHFFFAOYSA-N -1 1 355.441 2.046 20 0 FEADMM O=C1NCCc2ccc([N-]S(=O)(=O)c3cccc4ncccc43)cc21 ZINC000735270232 673488526 /nfs/dbraw/zinc/48/85/26/673488526.db2.gz MGGXFJIZNWYVGS-UHFFFAOYSA-N -1 1 353.403 2.322 20 0 FEADMM COCc1nc([N-]C(=O)c2ncoc2C(F)(F)F)sc1C(=O)OC ZINC000597638800 673495058 /nfs/dbraw/zinc/49/50/58/673495058.db2.gz YXWFLXGPMLLANC-UHFFFAOYSA-N -1 1 365.289 2.335 20 0 FEADMM Cc1nc(SCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)[n-]c(=O)c1C ZINC000539618876 673498646 /nfs/dbraw/zinc/49/86/46/673498646.db2.gz VFMXLORRFONZIE-JTQLQIEISA-N -1 1 359.407 2.493 20 0 FEADMM Cc1nc(SCC(=O)NCCN2CCc3ccccc32)[n-]c(=O)c1C ZINC000539618434 673498703 /nfs/dbraw/zinc/49/87/03/673498703.db2.gz CUQPVPFGMKPJOQ-UHFFFAOYSA-N -1 1 358.467 2.070 20 0 FEADMM CO[C@@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCO1 ZINC000613810894 676149302 /nfs/dbraw/zinc/14/93/02/676149302.db2.gz IRPHLIVAXZGQJE-LBPRGKRZSA-N -1 1 367.199 2.148 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](CO)c2cccc(F)c2)c(=O)[n-]1 ZINC000539975079 673516636 /nfs/dbraw/zinc/51/66/36/673516636.db2.gz XZZKCODZAIPCJU-CQSZACIVSA-N -1 1 365.430 2.134 20 0 FEADMM CC(C)CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539990233 673518381 /nfs/dbraw/zinc/51/83/81/673518381.db2.gz WGQABIYWVHRFCN-GFCCVEGCSA-N -1 1 370.471 2.223 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccc2c(c1)CCCO2 ZINC000540039140 673520838 /nfs/dbraw/zinc/52/08/38/673520838.db2.gz CFIGRICDZNYQCK-UHFFFAOYSA-N -1 1 356.407 2.393 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(C)ccc2O)cc1CC(=O)[O-] ZINC000540290970 673532806 /nfs/dbraw/zinc/53/28/06/673532806.db2.gz IJIYYLGIKKVFFA-UHFFFAOYSA-N -1 1 351.380 2.137 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)NC(C)C)c1ccc(Cl)cc1Cl ZINC000542240145 673569223 /nfs/dbraw/zinc/56/92/23/673569223.db2.gz LAFSVTMSXSKZHU-NSHDSACASA-N -1 1 355.243 2.040 20 0 FEADMM COc1ccc(NC(=O)NC[C@H]2CCCCS2)cc1[N-]S(C)(=O)=O ZINC000542396956 673579128 /nfs/dbraw/zinc/57/91/28/673579128.db2.gz MLHGXTKUJTYAMJ-GFCCVEGCSA-N -1 1 373.500 2.474 20 0 FEADMM O=C(CCc1ccc(Cl)cc1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737852156 673584343 /nfs/dbraw/zinc/58/43/43/673584343.db2.gz CYWAVSXUMGSIEC-LBPRGKRZSA-N -1 1 356.213 2.039 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(C)CCCO)o1 ZINC000542637900 673594448 /nfs/dbraw/zinc/59/44/48/673594448.db2.gz OIKQPJFDPRKDER-QGZVFWFLSA-N -1 1 372.487 2.124 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000542740080 673601047 /nfs/dbraw/zinc/60/10/47/673601047.db2.gz OWFXLDUCTVKZTM-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)c1ccccc1 ZINC000738609275 673623572 /nfs/dbraw/zinc/62/35/72/673623572.db2.gz FNYWHNCMOVHXGJ-LBPRGKRZSA-N -1 1 351.380 2.006 20 0 FEADMM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599229400 673644798 /nfs/dbraw/zinc/64/47/98/673644798.db2.gz OGQCDPGVYZXNAW-GFCCVEGCSA-N -1 1 368.411 2.290 20 0 FEADMM COCCc1nc(=N[C@@H](CN2CCCC2)c2ccc(OC)cc2)s[n-]1 ZINC000543434978 673646980 /nfs/dbraw/zinc/64/69/80/673646980.db2.gz YRFDCBATEDGPID-INIZCTEOSA-N -1 1 362.499 2.407 20 0 FEADMM COCCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000543450933 673648078 /nfs/dbraw/zinc/64/80/78/673648078.db2.gz ILSGIQQLORTKRW-LLVKDONJSA-N -1 1 358.364 2.337 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCCC(C)(C)C1)C1CC1 ZINC000599406641 673671022 /nfs/dbraw/zinc/67/10/22/673671022.db2.gz IJALVNOJCUCYEI-YOEHRIQHSA-N -1 1 361.504 2.233 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)CC2(C)OCCO2)c(F)c1 ZINC000741250684 673676967 /nfs/dbraw/zinc/67/69/67/673676967.db2.gz HLJDPVLUFPJEJB-SNVBAGLBSA-N -1 1 365.398 2.041 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])c[nH]1 ZINC000614326098 676169596 /nfs/dbraw/zinc/16/95/96/676169596.db2.gz TXLDIEKBWUHARK-UHFFFAOYSA-N -1 1 372.786 2.262 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)o1 ZINC000742307075 673720738 /nfs/dbraw/zinc/72/07/38/673720738.db2.gz GCPVAYUAHSXDNR-HNNXBMFYSA-N -1 1 365.407 2.178 20 0 FEADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)C(F)(F)F ZINC000544665999 673724749 /nfs/dbraw/zinc/72/47/49/673724749.db2.gz JINDPAJXIXGWPH-LBPRGKRZSA-N -1 1 369.409 2.490 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccccc1)c1ccc(Br)o1 ZINC000544720470 673728734 /nfs/dbraw/zinc/72/87/34/673728734.db2.gz RDOYCUUAQOEWLL-GFCCVEGCSA-N -1 1 374.256 2.172 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)s1 ZINC000544729391 673729556 /nfs/dbraw/zinc/72/95/56/673729556.db2.gz NXKPDZHWGULAFP-YFKPBYRVSA-N -1 1 352.235 2.242 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N(Cc1ccsc1)c1ccccc1 ZINC000544742419 673730316 /nfs/dbraw/zinc/73/03/16/673730316.db2.gz KZWIFAUVNZGDMZ-UHFFFAOYSA-N -1 1 351.391 2.326 20 0 FEADMM CN(CC[N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000544750532 673730651 /nfs/dbraw/zinc/73/06/51/673730651.db2.gz SVWIBZVXOOGIJK-UHFFFAOYSA-N -1 1 359.245 2.457 20 0 FEADMM CCN(CCSC)C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000600074020 673738820 /nfs/dbraw/zinc/73/88/20/673738820.db2.gz UQXCEVMGSJLYBV-UHFFFAOYSA-N -1 1 350.440 2.370 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cnc4ccccc4c3)no2)co1 ZINC000544904452 673739622 /nfs/dbraw/zinc/73/96/22/673739622.db2.gz NHYSKUGMQLTYJF-UHFFFAOYSA-N -1 1 356.363 2.453 20 0 FEADMM COCCOc1ccccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000545122895 673746011 /nfs/dbraw/zinc/74/60/11/673746011.db2.gz KJDGOBUWZACUGM-UHFFFAOYSA-N -1 1 365.407 2.140 20 0 FEADMM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1ccc(Br)o1 ZINC000545364583 673763498 /nfs/dbraw/zinc/76/34/98/673763498.db2.gz ZJYQDABVCNMMKY-UHFFFAOYSA-N -1 1 356.201 2.168 20 0 FEADMM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCc1nn[n-]n1 ZINC000600498081 673774560 /nfs/dbraw/zinc/77/45/60/673774560.db2.gz UAZDJGYJQJKXBG-UHFFFAOYSA-N -1 1 357.801 2.291 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)o1 ZINC000546434752 673799909 /nfs/dbraw/zinc/79/99/09/673799909.db2.gz HOJCHVICXITAEX-UHFFFAOYSA-N -1 1 359.367 2.089 20 0 FEADMM CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744568107 673801428 /nfs/dbraw/zinc/80/14/28/673801428.db2.gz YXEQFWHQOVAWIF-GFCCVEGCSA-N -1 1 370.471 2.298 20 0 FEADMM CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744567545 673801459 /nfs/dbraw/zinc/80/14/59/673801459.db2.gz OAQNFPOJUPBGGA-STQMWFEESA-N -1 1 370.471 2.298 20 0 FEADMM COc1cc(F)cc(OC)c1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000600941385 673812177 /nfs/dbraw/zinc/81/21/77/673812177.db2.gz BXCWZZSBWAXQRD-LBPRGKRZSA-N -1 1 357.378 2.118 20 0 FEADMM Cc1ccc(-c2csc(NC(=O)c3cc(=O)n4[n-]cnc4n3)n2)s1 ZINC000546795522 673819710 /nfs/dbraw/zinc/81/97/10/673819710.db2.gz YDRSBKJFHHYBSA-UHFFFAOYSA-N -1 1 358.408 2.163 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)s1 ZINC000745445286 673836929 /nfs/dbraw/zinc/83/69/29/673836929.db2.gz GDRUGLZTFLASOL-LLVKDONJSA-N -1 1 362.407 2.354 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CN1c1ccc(F)cc1 ZINC000547241063 673837325 /nfs/dbraw/zinc/83/73/25/673837325.db2.gz CEHMFWXTDLYVCW-OAHLLOKOSA-N -1 1 368.817 2.314 20 0 FEADMM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000547541750 673860503 /nfs/dbraw/zinc/86/05/03/673860503.db2.gz OATHGLVUDOZRFS-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCc1nc(CNS(=O)(=O)c2c(F)cc(F)cc2F)ccc1C(=O)[O-] ZINC000547562485 673864118 /nfs/dbraw/zinc/86/41/18/673864118.db2.gz PSOBFPDSDDARLR-UHFFFAOYSA-N -1 1 374.340 2.238 20 0 FEADMM CC(C)(C)OC(=O)[C@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCOC1 ZINC000601671705 673892972 /nfs/dbraw/zinc/89/29/72/673892972.db2.gz OOMFIBQDUGQHOW-KRWDZBQOSA-N -1 1 355.818 2.205 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H]1CCN(C(C)C)C1=O ZINC000746967388 673899144 /nfs/dbraw/zinc/89/91/44/673899144.db2.gz QEWCWFOTDNPGFF-OAHLLOKOSA-N -1 1 368.455 2.004 20 0 FEADMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000548206300 673934412 /nfs/dbraw/zinc/93/44/12/673934412.db2.gz UXVYPKILEWHCGW-UHFFFAOYSA-N -1 1 359.766 2.264 20 0 FEADMM C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])CCN1CC(C)(C)O ZINC000548711417 673988819 /nfs/dbraw/zinc/98/88/19/673988819.db2.gz NGLFGGHFYROEDH-NSHDSACASA-N -1 1 371.275 2.072 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cc(Cl)c[nH]2)n[n-]1 ZINC000548722385 673990029 /nfs/dbraw/zinc/99/00/29/673990029.db2.gz FHWLECKMJMTQAZ-SNVBAGLBSA-N -1 1 353.810 2.480 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cc(Cl)c[nH]2)[n-]1 ZINC000548722385 673990030 /nfs/dbraw/zinc/99/00/30/673990030.db2.gz FHWLECKMJMTQAZ-SNVBAGLBSA-N -1 1 353.810 2.480 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cc(Cl)c[nH]2)n1 ZINC000548722385 673990031 /nfs/dbraw/zinc/99/00/31/673990031.db2.gz FHWLECKMJMTQAZ-SNVBAGLBSA-N -1 1 353.810 2.480 20 0 FEADMM CN1C(=O)CC[C@@H]([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)C1=O ZINC000819727334 675312244 /nfs/dbraw/zinc/31/22/44/675312244.db2.gz AEVKUVXJNFGIHL-SNVBAGLBSA-N -1 1 365.163 2.349 20 0 FEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(-c3nn[nH]n3)s2)c1 ZINC000819834673 675316368 /nfs/dbraw/zinc/31/63/68/675316368.db2.gz RDRKQFHNSMQHEK-UHFFFAOYSA-N -1 1 358.379 2.236 20 0 FEADMM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000819890511 675319986 /nfs/dbraw/zinc/31/99/86/675319986.db2.gz BOOFIHLKHMCHSO-UHFFFAOYSA-N -1 1 366.340 2.243 20 0 FEADMM Cn1nc(C2CC2)nc1CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000567881345 675332475 /nfs/dbraw/zinc/33/24/75/675332475.db2.gz WNOUAWJKEGOQKO-UHFFFAOYSA-N -1 1 361.402 2.196 20 0 FEADMM Cn1nc(C2CC2)nc1CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000567881345 675332477 /nfs/dbraw/zinc/33/24/77/675332477.db2.gz WNOUAWJKEGOQKO-UHFFFAOYSA-N -1 1 361.402 2.196 20 0 FEADMM C[C@H]1COCCN1C1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000820124628 675337960 /nfs/dbraw/zinc/33/79/60/675337960.db2.gz DAKGSXTXNQIKHL-LBPRGKRZSA-N -1 1 361.467 2.442 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)C2CC2)c2ccccc2)o1 ZINC000820251606 675346776 /nfs/dbraw/zinc/34/67/76/675346776.db2.gz ZSFFIEOXLTWTNH-INIZCTEOSA-N -1 1 363.391 2.065 20 0 FEADMM O=C([O-])[C@@H]1CN(Cc2nc(CC(F)(F)F)no2)C[C@@H]1c1ccccc1 ZINC000568073715 675349141 /nfs/dbraw/zinc/34/91/41/675349141.db2.gz KCKFUGITIKNBEB-VXGBXAGGSA-N -1 1 355.316 2.475 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000568376443 675369314 /nfs/dbraw/zinc/36/93/14/675369314.db2.gz PCUVHUWTLNKBMF-QMMMGPOBSA-N -1 1 363.361 2.666 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000615770849 676227118 /nfs/dbraw/zinc/22/71/18/676227118.db2.gz PXERYYHQLVWQGI-CYBMUJFWSA-N -1 1 373.858 2.094 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H]2CCc3cccnc32)C1)C(F)(F)F ZINC000820889929 675397304 /nfs/dbraw/zinc/39/73/04/675397304.db2.gz OWUFHKOJNRLVRK-AAEUAGOBSA-N -1 1 355.360 2.029 20 0 FEADMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000568819408 675402607 /nfs/dbraw/zinc/40/26/07/675402607.db2.gz HTMYMNGAZCQRSN-WMLDXEAASA-N -1 1 353.440 2.277 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N=S(C)(C)=O)cc1 ZINC000821105946 675413846 /nfs/dbraw/zinc/41/38/46/675413846.db2.gz AVPROUIPGRTGKT-UHFFFAOYSA-N -1 1 372.424 2.446 20 0 FEADMM CCCOc1ccc(OCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821133548 675417206 /nfs/dbraw/zinc/41/72/06/675417206.db2.gz ALLVTYRCWAGLSB-UHFFFAOYSA-N -1 1 360.399 2.130 20 0 FEADMM CCCOc1ccc(OCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821133548 675417207 /nfs/dbraw/zinc/41/72/07/675417207.db2.gz ALLVTYRCWAGLSB-UHFFFAOYSA-N -1 1 360.399 2.130 20 0 FEADMM COc1ccc(NC(=O)/C=C/C2(C)CCOCC2)cc1[N-]S(C)(=O)=O ZINC000822382227 675481465 /nfs/dbraw/zinc/48/14/65/675481465.db2.gz KSXKCXDBMMJFSD-VOTSOKGWSA-N -1 1 368.455 2.378 20 0 FEADMM CC1(CC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)COC1 ZINC000823127666 675530877 /nfs/dbraw/zinc/53/08/77/675530877.db2.gz MFQXVYNCFBYGKB-LBPRGKRZSA-N -1 1 356.344 2.049 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCCN(c2ccccc2)CC1 ZINC000825505848 675656431 /nfs/dbraw/zinc/65/64/31/675656431.db2.gz XNFMZGMAJSWFQW-UHFFFAOYSA-N -1 1 353.451 2.371 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826343134 675686271 /nfs/dbraw/zinc/68/62/71/675686271.db2.gz NPEFAASATWMRGS-UHFFFAOYSA-N -1 1 364.768 2.157 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000826343134 675686272 /nfs/dbraw/zinc/68/62/72/675686272.db2.gz NPEFAASATWMRGS-UHFFFAOYSA-N -1 1 364.768 2.157 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826343419 675686427 /nfs/dbraw/zinc/68/64/27/675686427.db2.gz ZYRKCBIBFWYEFR-UHFFFAOYSA-N -1 1 352.807 2.079 20 0 FEADMM Cc1onc(CC(=O)N(C)Cc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826343419 675686430 /nfs/dbraw/zinc/68/64/30/675686430.db2.gz ZYRKCBIBFWYEFR-UHFFFAOYSA-N -1 1 352.807 2.079 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000826486872 675689270 /nfs/dbraw/zinc/68/92/70/675689270.db2.gz VHCLZHQSHOUJJD-UHFFFAOYSA-N -1 1 369.328 2.226 20 0 FEADMM Cc1noc(C2CCC(NC(=O)c3ccc4n[n-]c(=S)n4c3)CC2)n1 ZINC000826763613 675704384 /nfs/dbraw/zinc/70/43/84/675704384.db2.gz IZFOUMJJNPDBBI-UHFFFAOYSA-N -1 1 358.427 2.166 20 0 FEADMM CSCC[C@H](NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1)c1nn[n-]n1 ZINC000826929375 675716389 /nfs/dbraw/zinc/71/63/89/675716389.db2.gz XRQODFUUOARFCU-KXUCPTDWSA-N -1 1 367.397 2.000 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1c(Cl)nc2cc(Cl)ccn21 ZINC000828082475 675796989 /nfs/dbraw/zinc/79/69/89/675796989.db2.gz FXDKLDJXALKQTO-UHFFFAOYSA-N -1 1 366.212 2.354 20 0 FEADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000605291851 675808849 /nfs/dbraw/zinc/80/88/49/675808849.db2.gz ZVCSPWMDMBVOMI-DOMZBBRYSA-N -1 1 351.428 2.335 20 0 FEADMM CCCCC[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000828292286 675811072 /nfs/dbraw/zinc/81/10/72/675811072.db2.gz BRTKBZZBJVHRCU-MRXNPFEDSA-N -1 1 372.487 2.302 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCS[C@@H]2C)c(F)cc1Cl ZINC000828382166 675816355 /nfs/dbraw/zinc/81/63/55/675816355.db2.gz QKFXMBMTUBLLKL-RDDDGLTNSA-N -1 1 367.851 2.438 20 0 FEADMM Cc1cc(C(F)(F)C(=O)N2CCC(c3nn[n-]n3)CC2)cnc1Cl ZINC000828417441 675818688 /nfs/dbraw/zinc/81/86/88/675818688.db2.gz ZXBHVWOYROATDE-UHFFFAOYSA-N -1 1 356.764 2.055 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)c1 ZINC000606826335 675842206 /nfs/dbraw/zinc/84/22/06/675842206.db2.gz GLSVRUDZFXQFCF-UHFFFAOYSA-N -1 1 362.451 2.397 20 0 FEADMM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000828849673 675848517 /nfs/dbraw/zinc/84/85/17/675848517.db2.gz AHSXATORUJOUAQ-LBPRGKRZSA-N -1 1 358.822 2.202 20 0 FEADMM O=C(NCCN=c1[nH]c2ccccc2s1)c1csc(=NC2CC2)[n-]1 ZINC000607053636 675851724 /nfs/dbraw/zinc/85/17/24/675851724.db2.gz CKWGMMYILCHNSG-UHFFFAOYSA-N -1 1 359.480 2.013 20 0 FEADMM COC(=O)c1ccc(C(=O)OC[C@@H]2CN(C3CCCCC3)C(=O)O2)[n-]1 ZINC000829205954 675869929 /nfs/dbraw/zinc/86/99/29/675869929.db2.gz WEYADDQBBZRHIU-LBPRGKRZSA-N -1 1 350.371 2.112 20 0 FEADMM 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O=C1CCc2cc(F)c([N-]S(=O)(=O)CCOCC3CCC3)cc2N1 ZINC000634786477 677082020 /nfs/dbraw/zinc/08/20/20/677082020.db2.gz HIBUKZQBDRSQCK-UHFFFAOYSA-N -1 1 356.419 2.269 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc2n[n-]c(=S)n2c1)C(=O)OC(C)(C)C ZINC000838339365 680687514 /nfs/dbraw/zinc/68/75/14/680687514.db2.gz MUIJXSUPVHCRSR-JTQLQIEISA-N -1 1 350.444 2.068 20 0 FEADMM CNC(=O)c1ccc([N-]S(=O)(=O)CCOCC2CCC2)cc1Cl ZINC000634787628 677082178 /nfs/dbraw/zinc/08/21/78/677082178.db2.gz IWGOSSBJVJQVAD-UHFFFAOYSA-N -1 1 360.863 2.258 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000634789019 677082306 /nfs/dbraw/zinc/08/23/06/677082306.db2.gz UJCIAVZRNOLYAR-INIZCTEOSA-N -1 1 353.444 2.197 20 0 FEADMM Cn1cnc(-c2ccc([N-]S(=O)(=O)CCOCC3CCC3)cc2)n1 ZINC000634791232 677082622 /nfs/dbraw/zinc/08/26/22/677082622.db2.gz PXGGMTHRSJFCLX-UHFFFAOYSA-N -1 1 350.444 2.041 20 0 FEADMM CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nn[n-]n1 ZINC000635235101 677093322 /nfs/dbraw/zinc/09/33/22/677093322.db2.gz RTZWCVDOHKRLBK-UHFFFAOYSA-N -1 1 370.226 2.473 20 0 FEADMM O=C(CCCc1nn[n-]n1)N1CCCc2cc(Br)ccc21 ZINC000635395671 677097562 /nfs/dbraw/zinc/09/75/62/677097562.db2.gz SUMIQPZCRPORMX-UHFFFAOYSA-N -1 1 350.220 2.264 20 0 FEADMM O=C(CCCc1nn[n-]n1)NC1(c2cccc(Br)c2)CCC1 ZINC000635415826 677098310 /nfs/dbraw/zinc/09/83/10/677098310.db2.gz IBTYGEMCLPSZLJ-UHFFFAOYSA-N -1 1 364.247 2.481 20 0 FEADMM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC000635615226 677103135 /nfs/dbraw/zinc/10/31/35/677103135.db2.gz KYWRBRINTJDMQE-CYBMUJFWSA-N -1 1 362.865 2.081 20 0 FEADMM COc1cc(C)c(Br)cc1NC(=O)CCCc1nn[n-]n1 ZINC000635803037 677107022 /nfs/dbraw/zinc/10/70/22/677107022.db2.gz XUPZRCXOFDDLAI-UHFFFAOYSA-N -1 1 354.208 2.241 20 0 FEADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccc(Br)cc1F ZINC000635925017 677110394 /nfs/dbraw/zinc/11/03/94/677110394.db2.gz HRBYPIBWJLSTEN-MRVPVSSYSA-N -1 1 356.199 2.301 20 0 FEADMM O=C(NCc1cn(C2CCC2)nn1)c1ccc(Br)c([O-])c1 ZINC000640540504 677183222 /nfs/dbraw/zinc/18/32/22/677183222.db2.gz DYYLHKMGEADHFP-UHFFFAOYSA-N -1 1 351.204 2.401 20 0 FEADMM CSc1nc(CNC(=O)COCc2cccc(Cl)c2)cc(=O)[n-]1 ZINC000640655943 677185322 /nfs/dbraw/zinc/18/53/22/677185322.db2.gz SUENRDWHCVQLLD-UHFFFAOYSA-N -1 1 353.831 2.391 20 0 FEADMM C[C@@]1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)CC1(F)F ZINC000641462255 677206879 /nfs/dbraw/zinc/20/68/79/677206879.db2.gz IJVQGDKTIALVHR-ZDUSSCGKSA-N -1 1 361.345 2.340 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2C[C@H](O)[C@@H](C)C2)cc1 ZINC000641474330 677207318 /nfs/dbraw/zinc/20/73/18/677207318.db2.gz OGCLOFPIVQOMPV-GUYCJALGSA-N -1 1 362.451 2.313 20 0 FEADMM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000641598194 677210949 /nfs/dbraw/zinc/21/09/49/677210949.db2.gz KVEJWMKQSUCKBF-UHFFFAOYSA-N -1 1 366.365 2.337 20 0 FEADMM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)CCOC1 ZINC000641687719 677213923 /nfs/dbraw/zinc/21/39/23/677213923.db2.gz SNEQBRXKIXARRC-KRWDZBQOSA-N -1 1 369.439 2.251 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000641711933 677214525 /nfs/dbraw/zinc/21/45/25/677214525.db2.gz LYHDAFHNBOLWDW-UGSOOPFHSA-N -1 1 360.435 2.067 20 0 FEADMM CC(=O)NCCN(Cc1cc(Cl)ccc1OC(F)F)[C@H](C)C(=O)[O-] ZINC000643434918 677226545 /nfs/dbraw/zinc/22/65/45/677226545.db2.gz YFNHKCZPJYOOOC-SECBINFHSA-N -1 1 364.776 2.353 20 0 FEADMM C[C@@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)n1cccn1 ZINC000644704567 677247922 /nfs/dbraw/zinc/24/79/22/677247922.db2.gz AGVPQWATALHCDD-XPTSAGLGSA-N -1 1 363.784 2.046 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)CCOCC2CC2)CC1 ZINC000644856984 677250363 /nfs/dbraw/zinc/25/03/63/677250363.db2.gz YDWPETWWLLQMKT-UHFFFAOYSA-N -1 1 367.467 2.043 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2)c(C(F)(F)F)n1 ZINC000645077883 677253145 /nfs/dbraw/zinc/25/31/45/677253145.db2.gz YGUXKHVOIXBRTD-JSGCOSHPSA-N -1 1 359.373 2.447 20 0 FEADMM CC(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645580995 677264772 /nfs/dbraw/zinc/26/47/72/677264772.db2.gz KTSGWPMBTYXWER-JQWIXIFHSA-N -1 1 352.378 2.440 20 0 FEADMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C12CCC2 ZINC000645756179 677270817 /nfs/dbraw/zinc/27/08/17/677270817.db2.gz YTVLKSBGILUPRA-WDEREUQCSA-N -1 1 350.362 2.336 20 0 FEADMM CN(CCC(C)(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000645820521 677272227 /nfs/dbraw/zinc/27/22/27/677272227.db2.gz IDHWKMCJJTWTID-UHFFFAOYSA-N -1 1 366.480 2.254 20 0 FEADMM CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000645984808 677276342 /nfs/dbraw/zinc/27/63/42/677276342.db2.gz GVODXGRDDZJJOC-LERXQTSPSA-N -1 1 367.812 2.403 20 0 FEADMM COc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)cc(OC)c1Br ZINC000646411595 677284014 /nfs/dbraw/zinc/28/40/14/677284014.db2.gz KYNAZAJPDDNDDA-UHFFFAOYSA-N -1 1 356.176 2.456 20 0 FEADMM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000646589136 677286651 /nfs/dbraw/zinc/28/66/51/677286651.db2.gz KZLBEQKTPKWOQK-ZWNOBZJWSA-N -1 1 363.439 2.214 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cccc2c1ccn2C)C1CCOCC1 ZINC000647126251 677295526 /nfs/dbraw/zinc/29/55/26/677295526.db2.gz LDMLEFUBZIEAAI-QGZVFWFLSA-N -1 1 352.456 2.362 20 0 FEADMM COc1cc(F)c([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)cc1F ZINC000647128750 677295730 /nfs/dbraw/zinc/29/57/30/677295730.db2.gz NPLRSIKOKKTGEE-UHFFFAOYSA-N -1 1 374.365 2.377 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(S(C)(=O)=O)c1)C(C)C ZINC000647131172 677295942 /nfs/dbraw/zinc/29/59/42/677295942.db2.gz XOGZHQVHCBWGKF-LBPRGKRZSA-N -1 1 369.892 2.156 20 0 FEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(CN3CCSCC3)cc2)C1 ZINC000647251322 677298382 /nfs/dbraw/zinc/29/83/82/677298382.db2.gz PCRBLEGIKGYTRG-WMLDXEAASA-N -1 1 362.495 2.418 20 0 FEADMM CN1CCN(c2ccc(CNc3ncc(C(=O)[O-])cc3Cl)cn2)CC1 ZINC000647448658 677301460 /nfs/dbraw/zinc/30/14/60/677301460.db2.gz VPWDMMYQDTXBNC-UHFFFAOYSA-N -1 1 361.833 2.192 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000647815540 677306380 /nfs/dbraw/zinc/30/63/80/677306380.db2.gz ASLHSJZTKGDLBZ-UHFFFAOYSA-N -1 1 360.439 2.391 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cn(C2CCC2)nn1 ZINC000649216028 677327850 /nfs/dbraw/zinc/32/78/50/677327850.db2.gz BETFMQITKYQCDJ-UHFFFAOYSA-N -1 1 359.777 2.400 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)c(Br)o1 ZINC000760545516 680692029 /nfs/dbraw/zinc/69/20/29/680692029.db2.gz NIZCZSGLPJZGBY-SSDOTTSWSA-N -1 1 366.233 2.153 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000650163444 677355966 /nfs/dbraw/zinc/35/59/66/677355966.db2.gz KZLHBLPJOGBSCS-UHFFFAOYSA-N -1 1 367.448 2.062 20 0 FEADMM CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)oc2Br)CCC1 ZINC000760594285 680693907 /nfs/dbraw/zinc/69/39/07/680693907.db2.gz DIAXJGCJPNCPMS-UHFFFAOYSA-N -1 1 366.233 2.440 20 0 FEADMM Cn1ncc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1C(F)F ZINC000650192202 677358972 /nfs/dbraw/zinc/35/89/72/677358972.db2.gz UXTOKHVZTZTWNL-UHFFFAOYSA-N -1 1 357.382 2.277 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)cc1C(=O)[O-] ZINC000650669135 677384930 /nfs/dbraw/zinc/38/49/30/677384930.db2.gz MLEVACPNFVJIMH-LBPRGKRZSA-N -1 1 372.874 2.109 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)c3cnc(Cl)n3C)CCCCCC2)no1 ZINC000760852537 680703300 /nfs/dbraw/zinc/70/33/00/680703300.db2.gz APRYBWVJQSLXDY-UHFFFAOYSA-N -1 1 373.866 2.293 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)n1 ZINC000651543907 677431597 /nfs/dbraw/zinc/43/15/97/677431597.db2.gz MHONFAZVIKKIDE-QMMMGPOBSA-N -1 1 371.438 2.349 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)CSc2ccccc2)o1 ZINC000652624585 677495958 /nfs/dbraw/zinc/49/59/58/677495958.db2.gz KWCHIGOCHOSODI-GFCCVEGCSA-N -1 1 368.480 2.441 20 0 FEADMM CCCOc1ccc(COC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000761089814 680710397 /nfs/dbraw/zinc/71/03/97/680710397.db2.gz LKMLQTQDZBIJDF-UHFFFAOYSA-N -1 1 353.396 2.334 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)o1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000655397839 677640114 /nfs/dbraw/zinc/64/01/14/677640114.db2.gz GQYWRLJJYQKCMM-MRVPVSSYSA-N -1 1 361.276 2.329 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc2ccc(O)cc21)[C@@H]1CCOC1 ZINC000656626705 677791928 /nfs/dbraw/zinc/79/19/28/677791928.db2.gz UBHFHCSZHLIVTE-DYVFJYSZSA-N -1 1 351.424 2.339 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCNC4=O)ccc2O1 ZINC000656632860 677796591 /nfs/dbraw/zinc/79/65/91/677796591.db2.gz KTUCBFAMJFVGCG-NSHDSACASA-N -1 1 358.419 2.097 20 0 FEADMM COc1cc(C)c(C)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000656634076 677797142 /nfs/dbraw/zinc/79/71/42/677797142.db2.gz UFFJJUVNKUMGAG-QGZVFWFLSA-N -1 1 357.472 2.495 20 0 FEADMM CN(C)[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)c1ccco1 ZINC000656862007 677837279 /nfs/dbraw/zinc/83/72/79/677837279.db2.gz KZGOXGXEMNFDGM-NSHDSACASA-N -1 1 374.260 2.018 20 0 FEADMM CN(C)[C@H](C[N-]S(=O)(=O)c1ncccc1Br)c1ccco1 ZINC000656862006 677837408 /nfs/dbraw/zinc/83/74/08/677837408.db2.gz KZGOXGXEMNFDGM-LLVKDONJSA-N -1 1 374.260 2.018 20 0 FEADMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ncccc1Br ZINC000656906371 677861407 /nfs/dbraw/zinc/86/14/07/677861407.db2.gz SMLHCGIYPSAMJV-JTQLQIEISA-N -1 1 351.266 2.328 20 0 FEADMM Cc1cccc(CCC[N-]S(=O)(=O)c2ncccc2Br)n1 ZINC000656985169 677900459 /nfs/dbraw/zinc/90/04/59/677900459.db2.gz AENVTHMUZZCGFJ-UHFFFAOYSA-N -1 1 370.272 2.459 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1ncccc1Br)[C@H]1CCCCO1 ZINC000657023214 677914203 /nfs/dbraw/zinc/91/42/03/677914203.db2.gz SKEUQLYVPFMALI-NWDGAFQWSA-N -1 1 363.277 2.470 20 0 FEADMM Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cc(F)ccc2F)cn1 ZINC000657179318 677974237 /nfs/dbraw/zinc/97/42/37/677974237.db2.gz UPNSARIRRJEAJH-WFASDCNBSA-N -1 1 355.410 2.388 20 0 FEADMM COC(=O)CCCC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000839416165 680752255 /nfs/dbraw/zinc/75/22/55/680752255.db2.gz GAANCLZYUIPHOI-UHFFFAOYSA-N -1 1 360.332 2.455 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)sc1C ZINC000762524316 680752316 /nfs/dbraw/zinc/75/23/16/680752316.db2.gz OTGQZGYBVVFMNG-GMTAPVOTSA-N -1 1 350.556 2.418 20 0 FEADMM Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cn1 ZINC000762500309 680751554 /nfs/dbraw/zinc/75/15/54/680751554.db2.gz DJTQLBCOUGGDGI-BQYQJAHWSA-N -1 1 361.402 2.372 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCCOC2)c(F)c1 ZINC000660053187 678266728 /nfs/dbraw/zinc/26/67/28/678266728.db2.gz APUYWTWTWYBWBT-MRXNPFEDSA-N -1 1 363.426 2.119 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@@]1(O)CCCOC1 ZINC000660053377 678267285 /nfs/dbraw/zinc/26/72/85/678267285.db2.gz UOSSLWWGBFAJNT-OAHLLOKOSA-N -1 1 365.854 2.325 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC2(O)CCC(F)(F)CC2)c(F)c1 ZINC000660071312 678273382 /nfs/dbraw/zinc/27/33/82/678273382.db2.gz IMQNMOPRXXFCFV-UHFFFAOYSA-N -1 1 355.353 2.492 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)OC(C)(C)C ZINC000762806713 680761975 /nfs/dbraw/zinc/76/19/75/680761975.db2.gz VVQHLICDKQAWRU-NSHDSACASA-N -1 1 357.428 2.335 20 0 FEADMM Cc1nc(C)c(Br)c(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1 ZINC000663871569 678801154 /nfs/dbraw/zinc/80/11/54/678801154.db2.gz SUNRVQJMMZQBGR-SECBINFHSA-N -1 1 354.208 2.329 20 0 FEADMM COc1ccc(NC(=O)Nc2c[nH]nc2C2CC2)cc1[N-]S(C)(=O)=O ZINC000666199971 679008747 /nfs/dbraw/zinc/00/87/47/679008747.db2.gz ILEAMQQCYZAGCQ-UHFFFAOYSA-N -1 1 365.415 2.311 20 0 FEADMM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670392218 679281041 /nfs/dbraw/zinc/28/10/41/679281041.db2.gz WFLJPDQMJXVKPY-NSHDSACASA-N -1 1 358.360 2.136 20 0 FEADMM NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000670753589 679296111 /nfs/dbraw/zinc/29/61/11/679296111.db2.gz NDHHYCYFQNRXFV-UHFFFAOYSA-N -1 1 360.313 2.311 20 0 FEADMM CCc1ccc(-c2nc(CC(=O)OCc3nc(=O)n(C)[n-]3)cs2)cc1 ZINC000765405739 680841348 /nfs/dbraw/zinc/84/13/48/680841348.db2.gz TWJJTOCXTLOVBG-UHFFFAOYSA-N -1 1 358.423 2.080 20 0 FEADMM Cn1[n-]c(COC(=O)c2ccccc2SCc2cscn2)nc1=O ZINC000765440713 680842489 /nfs/dbraw/zinc/84/24/89/680842489.db2.gz ZDYUWUOORISPNT-UHFFFAOYSA-N -1 1 362.436 2.214 20 0 FEADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(C)(C)O ZINC000673690188 679443313 /nfs/dbraw/zinc/44/33/13/679443313.db2.gz UVNFSJQKUCJOAY-ZDUSSCGKSA-N -1 1 362.451 2.377 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)c1 ZINC000674050628 679465164 /nfs/dbraw/zinc/46/51/64/679465164.db2.gz RPBZMYMCQWFNAE-UHFFFAOYSA-N -1 1 359.407 2.110 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnc(OC)c(C(N)=O)c1 ZINC000675549242 679562901 /nfs/dbraw/zinc/56/29/01/679562901.db2.gz HDSKZOUAOISAKL-UHFFFAOYSA-N -1 1 363.439 2.115 20 0 FEADMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000676076998 679607615 /nfs/dbraw/zinc/60/76/15/679607615.db2.gz IDJAXALTLVFFEP-UHFFFAOYSA-N -1 1 374.827 2.308 20 0 FEADMM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000676348746 679629779 /nfs/dbraw/zinc/62/97/79/679629779.db2.gz DHLKFICNHRPUCV-LBPRGKRZSA-N -1 1 359.451 2.098 20 0 FEADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C1=C([O-])C(C)N=N1 ZINC000676706805 679640391 /nfs/dbraw/zinc/64/03/91/679640391.db2.gz YYGDARPWIUDMCT-UHFFFAOYSA-N -1 1 356.304 2.277 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2cccc3cc(O)ccc32)C1)C(F)(F)F ZINC000831121947 679927792 /nfs/dbraw/zinc/92/77/92/679927792.db2.gz RCAVCOXHDNFSBH-UHFFFAOYSA-N -1 1 352.312 2.296 20 0 FEADMM O=C([N-][C@@H]1CN(C(=O)c2sccc2F)C[C@H]1C(F)(F)F)C(F)F ZINC001008692335 679943410 /nfs/dbraw/zinc/94/34/10/679943410.db2.gz DKQWJDHHWOZPGP-IYSWYEEDSA-N -1 1 360.279 2.271 20 0 FEADMM COc1ccc(CCC(C)=O)cc1OS(=O)(=O)c1c[n-]nc1Cl ZINC000831270257 679958508 /nfs/dbraw/zinc/95/85/08/679958508.db2.gz PRYDDCYMTOTVGA-UHFFFAOYSA-N -1 1 358.803 2.361 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000831288509 679961379 /nfs/dbraw/zinc/96/13/79/679961379.db2.gz QYLBZHXTJZPTLM-QMMMGPOBSA-N -1 1 374.816 2.004 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)o1 ZINC000831396407 679977134 /nfs/dbraw/zinc/97/71/34/679977134.db2.gz DAFPXXGKUTXYJC-DTWKUNHWSA-N -1 1 368.377 2.285 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@@H]1COc2ccccc2[C@@H]1O ZINC000831558204 680003604 /nfs/dbraw/zinc/00/36/04/680003604.db2.gz ZVHVMAMYPUOMJF-ZBFHGGJFSA-N -1 1 371.817 2.393 20 0 FEADMM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1c[nH]nc1Cl ZINC000831626993 680014244 /nfs/dbraw/zinc/01/42/44/680014244.db2.gz APFFUEQNCHKUSE-UHFFFAOYSA-N -1 1 373.837 2.272 20 0 FEADMM Cc1cnccc1/C=C/C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000831722620 680032364 /nfs/dbraw/zinc/03/23/64/680032364.db2.gz CDEQUPBSIWKYHA-NSCUHMNNSA-N -1 1 355.360 2.320 20 0 FEADMM Cc1ncccc1/C=C\C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000831724415 680032864 /nfs/dbraw/zinc/03/28/64/680032864.db2.gz VZWPJKHERXABCU-PLNGDYQASA-N -1 1 355.360 2.320 20 0 FEADMM CC(C)(C)OC(=O)NCC[C@H]([N-]S(=O)(=O)CCC1CC1)C(F)F ZINC000831971156 680068999 /nfs/dbraw/zinc/06/89/99/680068999.db2.gz JWCQUXRNGCJGAC-NSHDSACASA-N -1 1 356.435 2.254 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CC(C)(C)O)c(F)cc1Cl ZINC000832024701 680077830 /nfs/dbraw/zinc/07/78/30/680077830.db2.gz FJHSFOFYWGGPJI-MRVPVSSYSA-N -1 1 367.826 2.094 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CNC(=O)OC(C)(C)C ZINC000749962036 680090376 /nfs/dbraw/zinc/09/03/76/680090376.db2.gz CVIFBAAJHDEANO-SNVBAGLBSA-N -1 1 364.414 2.404 20 0 FEADMM Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)c4ncccc4[O-])C[C@H]32)s1 ZINC001020961048 680120946 /nfs/dbraw/zinc/12/09/46/680120946.db2.gz NRPHCFLGLRRDNR-QWHCGFSZSA-N -1 1 357.435 2.144 20 0 FEADMM O=C(c1ccc(Cl)o1)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001021085782 680129760 /nfs/dbraw/zinc/12/97/60/680129760.db2.gz PJTNTKGDWIIYPE-WDEREUQCSA-N -1 1 361.785 2.020 20 0 FEADMM COc1ccccc1C(F)(F)C(=O)[N-]Cc1nc(C(F)(F)F)n[nH]1 ZINC000832444208 680135113 /nfs/dbraw/zinc/13/51/13/680135113.db2.gz NZRNYHAZEHPALF-UHFFFAOYSA-N -1 1 350.247 2.240 20 0 FEADMM Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])cs1 ZINC000976566097 680138128 /nfs/dbraw/zinc/13/81/28/680138128.db2.gz HBYKESUABZSBDO-VXGBXAGGSA-N -1 1 360.439 2.023 20 0 FEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(OCC2CC2)cc1 ZINC000751057564 680150862 /nfs/dbraw/zinc/15/08/62/680150862.db2.gz CFAFBCFLPKMEIS-UHFFFAOYSA-N -1 1 366.395 2.061 20 0 FEADMM CCC[C@H](O)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000832662177 680161118 /nfs/dbraw/zinc/16/11/18/680161118.db2.gz POOVXDZPNZVDMP-JTQLQIEISA-N -1 1 363.195 2.278 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CC1(Cl)Cl ZINC000751320589 680168046 /nfs/dbraw/zinc/16/80/46/680168046.db2.gz PUHXPOMDOXITCK-JTQLQIEISA-N -1 1 357.241 2.294 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000751508576 680184206 /nfs/dbraw/zinc/18/42/06/680184206.db2.gz OTXXLCZTPUSVFC-MRVPVSSYSA-N -1 1 368.789 2.378 20 0 FEADMM C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000993930932 680199061 /nfs/dbraw/zinc/19/90/61/680199061.db2.gz QHGIALLPILUXOR-GHMZBOCLSA-N -1 1 363.414 2.126 20 0 FEADMM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000834231613 680206992 /nfs/dbraw/zinc/20/69/92/680206992.db2.gz AVHJOBFAMUYLEG-LBPRGKRZSA-N -1 1 357.357 2.162 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000834300632 680209719 /nfs/dbraw/zinc/20/97/19/680209719.db2.gz UJKVVUKSHFQQGN-KGLIPLIRSA-N -1 1 358.467 2.439 20 0 FEADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833998 680275056 /nfs/dbraw/zinc/27/50/56/680275056.db2.gz SJTFIQMQULPEGI-AWEZNQCLSA-N -1 1 374.890 2.256 20 0 FEADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)cc1 ZINC000754268040 680346739 /nfs/dbraw/zinc/34/67/39/680346739.db2.gz UDRLBKVWTQVWAF-UHFFFAOYSA-N -1 1 370.814 2.396 20 0 FEADMM CSc1nc(CNC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)cc(=O)[n-]1 ZINC000912240799 685337477 /nfs/dbraw/zinc/33/74/77/685337477.db2.gz PMDXNBQOPOSQMA-LBPRGKRZSA-N -1 1 373.356 2.273 20 0 FEADMM CSc1nc(CNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000912246940 685338449 /nfs/dbraw/zinc/33/84/49/685338449.db2.gz HJTXBPFUXSICJY-HNNXBMFYSA-N -1 1 353.831 2.081 20 0 FEADMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000754694911 680371468 /nfs/dbraw/zinc/37/14/68/680371468.db2.gz RKOFDBHJKXNZJM-UHFFFAOYSA-N -1 1 366.874 2.288 20 0 FEADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1csnn1 ZINC000836093987 680420627 /nfs/dbraw/zinc/42/06/27/680420627.db2.gz IWNAJQRKNYSWEK-MRVPVSSYSA-N -1 1 359.429 2.126 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N(C)[C@H]2CCOC2)c1 ZINC000836739000 680505731 /nfs/dbraw/zinc/50/57/31/680505731.db2.gz RFACJNOKQHLMPZ-ZDUSSCGKSA-N -1 1 359.348 2.426 20 0 FEADMM C[C@@H]1[C@@H]([N-]C(=O)C(F)F)CCN1C(=O)c1csc(C(F)(F)F)n1 ZINC000987183402 680536757 /nfs/dbraw/zinc/53/67/57/680536757.db2.gz VCAQWIBIUVJBNJ-RITPCOANSA-N -1 1 357.304 2.146 20 0 FEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1nc(C2CCC2)ns1 ZINC001043148477 680563090 /nfs/dbraw/zinc/56/30/90/680563090.db2.gz VLWLWDZCTWIATE-ZYHUDNBSSA-N -1 1 359.455 2.479 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)c1ccc(F)cc1)c1ccc(Br)o1 ZINC000759052187 680624080 /nfs/dbraw/zinc/62/40/80/680624080.db2.gz XYJANPSCLRWPJI-SNVBAGLBSA-N -1 1 364.192 2.193 20 0 FEADMM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000874384136 685376111 /nfs/dbraw/zinc/37/61/11/685376111.db2.gz XPLXDLDBPIVPKD-AKAXFMLLSA-N -1 1 365.861 2.467 20 0 FEADMM CC(C)(CNC(=O)c1ccc(Cl)cc1[O-])[C@@H]1COCC12OCCO2 ZINC000837994690 680667063 /nfs/dbraw/zinc/66/70/63/680667063.db2.gz FIWQLNGDJIRJQW-AWEZNQCLSA-N -1 1 355.818 2.191 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)c1 ZINC000760319376 680682733 /nfs/dbraw/zinc/68/27/33/680682733.db2.gz KHLMXYAESAMVCL-UHFFFAOYSA-N -1 1 365.411 2.192 20 0 FEADMM Cn1nc(-c2ccccc2)cc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000838313779 680686001 /nfs/dbraw/zinc/68/60/01/680686001.db2.gz HPJPYPZTAZVBHW-UHFFFAOYSA-N -1 1 355.316 2.313 20 0 FEADMM CC[C@](COC)([N-]S(=O)(=O)/C=C\c1ccccc1Cl)C(=O)OC ZINC000841530482 680892842 /nfs/dbraw/zinc/89/28/42/680892842.db2.gz KEZXXEZDIOOVDE-FJVVXJACSA-N -1 1 361.847 2.198 20 0 FEADMM O=C(CCc1nn[n-]n1)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000912497825 685386623 /nfs/dbraw/zinc/38/66/23/685386623.db2.gz JEYXATISPVBVGI-UHFFFAOYSA-N -1 1 362.846 2.149 20 0 FEADMM COc1ccc(CNC(=O)[C@H](C)O[N-]C(=O)CC(C)(C)C)cc1OC ZINC000842060531 680924479 /nfs/dbraw/zinc/92/44/79/680924479.db2.gz MOSJMKLZNMODLC-LBPRGKRZSA-N -1 1 352.431 2.193 20 0 FEADMM CCOCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000767853709 680930285 /nfs/dbraw/zinc/93/02/85/680930285.db2.gz VZRGDUVTSPFDCG-KRWDZBQOSA-N -1 1 369.483 2.039 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(NC(C)=O)c(F)cc1F)C(C)C ZINC000842582830 680953295 /nfs/dbraw/zinc/95/32/95/680953295.db2.gz KSYNAIDNOZELHA-AWEZNQCLSA-N -1 1 350.387 2.336 20 0 FEADMM CC(C)C[C@H](N)c1noc(CCn2c(=O)c3ccccc3[n-]c2=S)n1 ZINC000842590441 680953812 /nfs/dbraw/zinc/95/38/12/680953812.db2.gz ZAGTUICXLNXLJT-LBPRGKRZSA-N -1 1 359.455 2.357 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768880921 680962998 /nfs/dbraw/zinc/96/29/98/680962998.db2.gz GIARNDNVJQZRIE-GZTOBOFZSA-N -1 1 353.774 2.427 20 0 FEADMM C[C@@]1(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)CCc2ccccc21 ZINC000842751579 680964203 /nfs/dbraw/zinc/96/42/03/680964203.db2.gz GRMTUAJUGFOENQ-MRXNPFEDSA-N -1 1 359.344 2.129 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F)N1CCCCC1 ZINC000842870666 680972326 /nfs/dbraw/zinc/97/23/26/680972326.db2.gz BMOCMZOMKPCPAU-INIZCTEOSA-N -1 1 374.453 2.421 20 0 FEADMM CC[C@@H](Cc1ccccc1C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843015702 680982133 /nfs/dbraw/zinc/98/21/33/680982133.db2.gz VQCQLSQQVLIQGK-INIZCTEOSA-N -1 1 366.527 2.494 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCSc2ccccc2)CCC1 ZINC000843017369 680982722 /nfs/dbraw/zinc/98/27/22/680982722.db2.gz BXXRICGFPVUHJI-UHFFFAOYSA-N -1 1 356.513 2.099 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccccc1 ZINC000843018654 680983022 /nfs/dbraw/zinc/98/30/22/680983022.db2.gz RDHNBJCAXQNFPG-INIZCTEOSA-N -1 1 352.500 2.357 20 0 FEADMM 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ZINC000889124363 688734179 /nfs/dbraw/zinc/73/41/79/688734179.db2.gz RGHCKECBWHCDLS-MRXNPFEDSA-N -1 1 360.435 2.003 20 0 FEADMM COc1cnc([C@H]2CCCN2C(=O)CSCC(F)(F)F)[n-]c1=O ZINC000889790038 688829085 /nfs/dbraw/zinc/82/90/85/688829085.db2.gz NBKCDORMHFMIRB-MRVPVSSYSA-N -1 1 351.350 2.150 20 0 FEADMM COc1cnc([C@@H]2CCCN2C(=O)c2ccnc(Cl)c2F)[n-]c1=O ZINC000889789687 688829201 /nfs/dbraw/zinc/82/92/01/688829201.db2.gz JEPBKRIEFOOMCQ-VIFPVBQESA-N -1 1 352.753 2.356 20 0 FEADMM COc1cnc([C@H]2CCCN2C(=O)C(=O)c2ccc(Cl)cc2)[n-]c1=O ZINC000889792264 688829933 /nfs/dbraw/zinc/82/99/33/688829933.db2.gz VNYSNHGZABEHPC-GFCCVEGCSA-N -1 1 361.785 2.391 20 0 FEADMM O=C(CCOCC(F)(F)C(F)F)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617716 689084421 /nfs/dbraw/zinc/08/44/21/689084421.db2.gz HZRDYCVAEMCWEP-UHFFFAOYSA-N -1 1 351.300 2.307 20 0 FEADMM CCOCc1nc(C)cc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000893915056 689428437 /nfs/dbraw/zinc/42/84/37/689428437.db2.gz ZUYXBMLIZNKDJZ-GFCCVEGCSA-N -1 1 360.380 2.216 20 0 FEADMM O=S(=O)([N-]CCNc1cnccn1)c1cc(Cl)sc1Cl ZINC000511844434 689561146 /nfs/dbraw/zinc/56/11/46/689561146.db2.gz MIILMIKXDBGGED-UHFFFAOYSA-N -1 1 353.256 2.235 20 0 FEADMM Cc1ncccc1NC(=O)[C@H](C)NCc1ncc(Br)cc1[O-] ZINC000894811452 689600968 /nfs/dbraw/zinc/60/09/68/689600968.db2.gz WJRCWVXXVHYEEF-JTQLQIEISA-N -1 1 365.231 2.370 20 0 FEADMM COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000894945796 689625615 /nfs/dbraw/zinc/62/56/15/689625615.db2.gz XPKYNZXSMUBHLK-QWHCGFSZSA-N -1 1 363.307 2.284 20 0 FEADMM [O-]c1cc(Br)cnc1CNC[C@@H](n1cncn1)C(F)(F)F ZINC000895741977 689764304 /nfs/dbraw/zinc/76/43/04/689764304.db2.gz LZMJJSCOYQGVKH-SNVBAGLBSA-N -1 1 366.141 2.034 20 0 FEADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896336482 689857189 /nfs/dbraw/zinc/85/71/89/689857189.db2.gz KJAKQJANGMCCTB-LLVKDONJSA-N -1 1 351.424 2.146 20 0 FEADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896341983 689857830 /nfs/dbraw/zinc/85/78/30/689857830.db2.gz KZMNBBZBRPFKJY-MNOVXSKESA-N -1 1 351.424 2.145 20 0 FEADMM COCCC1(c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CCCC1 ZINC000896633819 689909034 /nfs/dbraw/zinc/90/90/34/689909034.db2.gz MNEBZCDXIGDJNM-UHFFFAOYSA-N -1 1 371.484 2.458 20 0 FEADMM O=c1nc(NCC2(OCCO)CCC(C(F)F)CC2)cc(Cl)[n-]1 ZINC000896817577 689934098 /nfs/dbraw/zinc/93/40/98/689934098.db2.gz ZAKBDMPYICUZME-UHFFFAOYSA-N -1 1 351.781 2.451 20 0 FEADMM COC(=O)CCCO[N-]C(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000897787611 690080384 /nfs/dbraw/zinc/08/03/84/690080384.db2.gz PQPLPYKHKVMPPW-UHFFFAOYSA-N -1 1 354.350 2.100 20 0 FEADMM CS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897835896 690088382 /nfs/dbraw/zinc/08/83/82/690088382.db2.gz KSANZPANDDZJHW-LBPRGKRZSA-N -1 1 363.435 2.148 20 0 FEADMM CC(C)=CC[C@@H](NS(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000899931763 690443028 /nfs/dbraw/zinc/44/30/28/690443028.db2.gz QVTNNDDTWUDARX-SECBINFHSA-N -1 1 352.206 2.130 20 0 FEADMM COCCn1c(=O)cc([O-])nc1SCC/C=C/c1cncc(OC)c1 ZINC000901652473 690673278 /nfs/dbraw/zinc/67/32/78/690673278.db2.gz IZHJMNBMQKXWCI-HWKANZROSA-N -1 1 363.439 2.195 20 0 FEADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000901786295 690694722 /nfs/dbraw/zinc/69/47/22/690694722.db2.gz KFDOVKAJASGFIW-AWEZNQCLSA-N -1 1 358.295 2.245 20 0 FEADMM Cn1cc(CNC2(c3ccc(F)cc3F)CCOCC2)c(C(=O)[O-])n1 ZINC000902357418 690760203 /nfs/dbraw/zinc/76/02/03/690760203.db2.gz YFZGJRSHWQKMRD-UHFFFAOYSA-N -1 1 351.353 2.192 20 0 FEADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cn(-c4ccc(F)cc4Cl)nn3)C[C@@H]21 ZINC000902555611 690779121 /nfs/dbraw/zinc/77/91/21/690779121.db2.gz ZMHBNOGFAKOOIJ-TYNCELHUSA-N -1 1 350.781 2.212 20 0 FEADMM CS(C)(=O)=NS(=O)(=O)[N-]c1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000903085032 690842701 /nfs/dbraw/zinc/84/27/01/690842701.db2.gz OPNYCXJETMJBFM-UHFFFAOYSA-N -1 1 368.484 2.271 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)c(C)nn2C)c1 ZINC000903165843 690859148 /nfs/dbraw/zinc/85/91/48/690859148.db2.gz WJDIAQXXSXAZSI-UHFFFAOYSA-N -1 1 357.819 2.359 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]c2c(Cl)c(C)nn2C)cc1OC ZINC000903166769 690859158 /nfs/dbraw/zinc/85/91/58/690859158.db2.gz TVMDSRGRHKXSBW-UHFFFAOYSA-N -1 1 363.798 2.339 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(C)nnc1N(C)C)c1ccc(F)cc1 ZINC000903175341 690861461 /nfs/dbraw/zinc/86/14/61/690861461.db2.gz FMQCIMMQOCUNDG-HNNXBMFYSA-N -1 1 368.434 2.120 20 0 FEADMM COCCN(CCC(=O)[O-])[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000903711921 690965816 /nfs/dbraw/zinc/96/58/16/690965816.db2.gz PEUIRMWLNHGDMZ-NSHDSACASA-N -1 1 373.247 2.199 20 0 FEADMM COCCN(CCC(=O)[O-])[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000903712762 690965827 /nfs/dbraw/zinc/96/58/27/690965827.db2.gz RXMYDSLAPXIUIR-CQSZACIVSA-N -1 1 358.797 2.008 20 0 FEADMM COc1cc(Br)c(CN[C@H](CSC)C(=O)[O-])c(OC)c1 ZINC000904039698 690996382 /nfs/dbraw/zinc/99/63/82/690996382.db2.gz APEUGZMEVJQYNS-LLVKDONJSA-N -1 1 364.261 2.372 20 0 FEADMM O=C([O-])c1cn(CCNCc2cc(Cl)ccc2OCC2CC2)nn1 ZINC000904062500 690999880 /nfs/dbraw/zinc/99/98/80/690999880.db2.gz HEUVUKALDYUMBW-UHFFFAOYSA-N -1 1 350.806 2.208 20 0 FEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]c1cccc2c1CN(CC(C)C)C2 ZINC000906061798 691224699 /nfs/dbraw/zinc/22/46/99/691224699.db2.gz UBTFWAHEYQXVQP-JOCHJYFZSA-N -1 1 359.517 2.433 20 0 FEADMM CCOC(=O)[C@@]([N-]S(=O)(=O)c1ccoc1)(C1CCC1)C(F)(F)F ZINC000906068672 691226768 /nfs/dbraw/zinc/22/67/68/691226768.db2.gz LRTGUXVNRHQUON-LBPRGKRZSA-N -1 1 355.334 2.222 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCC[C@H]1CC ZINC000906868310 691332444 /nfs/dbraw/zinc/33/24/44/691332444.db2.gz PGRUVQCPAADESZ-MRXNPFEDSA-N -1 1 368.499 2.490 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCCN2C2CC2)ccc1Cl ZINC000906957192 691353794 /nfs/dbraw/zinc/35/37/94/691353794.db2.gz LZYMESUNPDYQEP-LBPRGKRZSA-N -1 1 372.874 2.333 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000907026002 691373598 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O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478249 691496357 /nfs/dbraw/zinc/49/63/57/691496357.db2.gz HWFQYXFACKRZPW-LSDHHAIUSA-N -1 1 359.455 2.024 20 0 FEADMM O=C(c1cc2c(ccnc2Cl)s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478968 691496618 /nfs/dbraw/zinc/49/66/18/691496618.db2.gz YHVOWRWHLIMRHA-QMMMGPOBSA-N -1 1 366.859 2.393 20 0 FEADMM Cc1nc2c(F)cccc2cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480029 691497011 /nfs/dbraw/zinc/49/70/11/691497011.db2.gz KQANYNUARIMZOD-CYBMUJFWSA-N -1 1 358.402 2.126 20 0 FEADMM CCOc1ccc(C[C@H](C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907480654 691497019 /nfs/dbraw/zinc/49/70/19/691497019.db2.gz PWZPGHRGBQPXKT-WFASDCNBSA-N -1 1 361.471 2.094 20 0 FEADMM O=C([N-]CC1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1)C(F)(F)F ZINC000907959660 691589857 /nfs/dbraw/zinc/58/98/57/691589857.db2.gz LTIVIMAIXCVXOK-UHFFFAOYSA-N -1 1 354.332 2.094 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)c1ccc(Cl)nc1F)CCO2 ZINC000908018743 691599805 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C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)[C@H](C(=O)[O-])C1 ZINC000908754837 691724097 /nfs/dbraw/zinc/72/40/97/691724097.db2.gz VWHVOCQKWSSJBK-KCXAZCMYSA-N -1 1 351.422 2.323 20 0 FEADMM CCC(CC)[C@@H](CNC(=O)NC(CC)(CC)C(=O)[O-])N1CCOCC1 ZINC000908772485 691727513 /nfs/dbraw/zinc/72/75/13/691727513.db2.gz DVISHOKHWNNODB-OAHLLOKOSA-N -1 1 357.495 2.066 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCc2occc2[C@@H]1C(=O)[O-])c1ccsc1 ZINC000908811956 691733752 /nfs/dbraw/zinc/73/37/52/691733752.db2.gz CIJDCNUFOWZUMX-DZGCQCFKSA-N -1 1 363.439 2.337 20 0 FEADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908816774 691734440 /nfs/dbraw/zinc/73/44/40/691734440.db2.gz CGNCEUWFMIRJGP-IFIJOSMWSA-N -1 1 368.861 2.329 20 0 FEADMM CN(CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000909369923 691813486 /nfs/dbraw/zinc/81/34/86/691813486.db2.gz HKLLLWHVOFXWJA-KGLIPLIRSA-N -1 1 356.875 2.409 20 0 FEADMM O=C([O-])[C@@H](CC(F)F)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000909777478 691854828 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O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc(Br)cc3nc[nH]c31)C2 ZINC000910342553 691918347 /nfs/dbraw/zinc/91/83/47/691918347.db2.gz SSZCBSCONLUCPX-SDRGUPOISA-N -1 1 364.199 2.309 20 0 FEADMM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000910379113 691924897 /nfs/dbraw/zinc/92/48/97/691924897.db2.gz FTPAQTMTKJMZJZ-NQBHXWOUSA-N -1 1 353.300 2.474 20 0 FEADMM O=C([O-])Cc1nccnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994101 722207077 /nfs/dbraw/zinc/20/70/77/722207077.db2.gz GBFXHXJCBROCGV-FQEVSTJZSA-N -1 1 370.428 2.488 20 0 FEADMM O=C(c1cccc(Nc2cnccn2)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507906466 888707697 /nfs/dbraw/zinc/70/76/97/888707697.db2.gz QYGCUKBAGCFZNG-ZDUSSCGKSA-N -1 1 366.381 2.329 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC001119640980 939815418 /nfs/dbraw/zinc/81/54/18/939815418.db2.gz RLIQZECCPUUWEI-LBPRGKRZSA-N -1 1 359.348 2.225 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c(C(F)(F)F)n1 ZINC000549400747 674038878 /nfs/dbraw/zinc/03/88/78/674038878.db2.gz XIWQYOJICDJZEG-UHFFFAOYSA-N -1 1 372.372 2.441 20 0 FEADMM CS[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)(C)C ZINC000549407766 674039745 /nfs/dbraw/zinc/03/97/45/674039745.db2.gz IWQCTRASXRQRQB-VIFPVBQESA-N -1 1 359.439 2.495 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000549464829 674043014 /nfs/dbraw/zinc/04/30/14/674043014.db2.gz HHAFCLBULIXBRA-YOEHRIQHSA-N -1 1 363.439 2.059 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)cc2[nH]1 ZINC000005252716 539406653 /nfs/dbraw/zinc/40/66/53/539406653.db2.gz VZENLIRLAZTANX-UHFFFAOYSA-N -1 1 355.322 2.258 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(N)=O)cc1 ZINC000007940321 539471916 /nfs/dbraw/zinc/47/19/16/539471916.db2.gz RSPWPCUQMSQWCZ-UHFFFAOYSA-N -1 1 352.437 2.073 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000568030572 675345567 /nfs/dbraw/zinc/34/55/67/675345567.db2.gz FTYAGNSHGCGOSM-DTORHVGOSA-N -1 1 353.106 2.129 20 0 FEADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1)C1CC1 ZINC000014097446 539595146 /nfs/dbraw/zinc/59/51/46/539595146.db2.gz ZWTLRISGNWYNIT-UHFFFAOYSA-N -1 1 373.390 2.270 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@@H](O)C1 ZINC000022738047 539698028 /nfs/dbraw/zinc/69/80/28/539698028.db2.gz PSCCLUCKWWLCPV-MRXNPFEDSA-N -1 1 360.435 2.084 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)n1 ZINC000022930862 539703724 /nfs/dbraw/zinc/70/37/24/539703724.db2.gz NUVLBCYMWCAUFL-LLVKDONJSA-N -1 1 374.466 2.201 20 0 FEADMM O=C(NCc1cccnc1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028835327 539837729 /nfs/dbraw/zinc/83/77/29/539837729.db2.gz GGFSDHMAMFESOT-UHFFFAOYSA-N -1 1 368.418 2.207 20 0 FEADMM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000030515865 539883229 /nfs/dbraw/zinc/88/32/29/539883229.db2.gz XTXZUNWPCKJMJX-UHFFFAOYSA-N -1 1 361.379 2.421 20 0 FEADMM CNc1snc(C)c1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000030692495 539889338 /nfs/dbraw/zinc/88/93/38/539889338.db2.gz AJOJFZIGUGUPST-UHFFFAOYSA-N -1 1 370.456 2.126 20 0 FEADMM COc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000031482668 539908088 /nfs/dbraw/zinc/90/80/88/539908088.db2.gz YQHDYXAYUMYYSD-UHFFFAOYSA-N -1 1 366.439 2.295 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)o1 ZINC000031602135 539913093 /nfs/dbraw/zinc/91/30/93/539913093.db2.gz KOVGODSGWKANNG-UHFFFAOYSA-N -1 1 364.301 2.339 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1C(N)=O ZINC000032086090 539928059 /nfs/dbraw/zinc/92/80/59/539928059.db2.gz VCBQSQWSLQPKBT-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1 ZINC000032599971 539944578 /nfs/dbraw/zinc/94/45/78/539944578.db2.gz XXHTVIUMSCCDFY-UHFFFAOYSA-N -1 1 364.423 2.384 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCc2sccc2C1 ZINC000042108120 540051447 /nfs/dbraw/zinc/05/14/47/540051447.db2.gz ISYBOILFTHKJKU-UHFFFAOYSA-N -1 1 366.446 2.329 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCCCO1)c1cc(Br)cnc1Cl ZINC000042822372 540080684 /nfs/dbraw/zinc/08/06/84/540080684.db2.gz HEKRJJNKOYNSAE-SECBINFHSA-N -1 1 369.668 2.345 20 0 FEADMM CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000044662145 540135566 /nfs/dbraw/zinc/13/55/66/540135566.db2.gz MQXKRLFSGVJKHB-UHFFFAOYSA-N -1 1 354.815 2.347 20 0 FEADMM COc1cc[n-]c(=NNC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1 ZINC000045717973 540223209 /nfs/dbraw/zinc/22/32/09/540223209.db2.gz VMFGWBSHLBGTQK-UHFFFAOYSA-N -1 1 370.413 2.050 20 0 FEADMM O=C(CCNC(=O)c1cc(Br)ccc1[O-])N1CCCCC1 ZINC000046461063 540258472 /nfs/dbraw/zinc/25/84/72/540258472.db2.gz GDHIKDIMLDRRBZ-UHFFFAOYSA-N -1 1 355.232 2.287 20 0 FEADMM C[C@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)N1C(=O)CCC1=O ZINC000533842532 540294146 /nfs/dbraw/zinc/29/41/46/540294146.db2.gz KXWQLAGUDSFBQK-SSDOTTSWSA-N -1 1 352.803 2.268 20 0 FEADMM O=C(NC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1)c1ccncc1 ZINC000047717002 540325633 /nfs/dbraw/zinc/32/56/33/540325633.db2.gz YXHGIFFXZBNNIQ-UHFFFAOYSA-N -1 1 359.813 2.475 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000055586839 540661497 /nfs/dbraw/zinc/66/14/97/540661497.db2.gz BNHHUOFZNIAGMW-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c2cccc3Cl)o1 ZINC000055713551 540672734 /nfs/dbraw/zinc/67/27/34/540672734.db2.gz LZBSVMKDOLDTKG-LBPRGKRZSA-N -1 1 354.815 2.258 20 0 FEADMM Cc1nc(C2([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)CCCCC2)no1 ZINC000056037103 540695571 /nfs/dbraw/zinc/69/55/71/540695571.db2.gz GXUKADQDEKZLHP-UHFFFAOYSA-N -1 1 373.866 2.211 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)COc2c(C)cccc2C)o1 ZINC000056439180 540725886 /nfs/dbraw/zinc/72/58/86/540725886.db2.gz AYSVQEVXDASKFQ-CYBMUJFWSA-N -1 1 366.439 2.002 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)o1 ZINC000056990998 540759611 /nfs/dbraw/zinc/75/96/11/540759611.db2.gz IEZOREWEUQATPP-AWEZNQCLSA-N -1 1 366.414 2.174 20 0 FEADMM CC[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]C)o3)sc2C1 ZINC000057180315 540776341 /nfs/dbraw/zinc/77/63/41/540776341.db2.gz HUNVUFGNHBOTGE-SECBINFHSA-N -1 1 369.468 2.411 20 0 FEADMM CCN(c1ccccc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115512 540769484 /nfs/dbraw/zinc/76/94/84/540769484.db2.gz OBEDTNVPPJWDJY-UHFFFAOYSA-N -1 1 372.443 2.412 20 0 FEADMM Cc1ccc(NC(=O)Cn2cncn2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225299 540835126 /nfs/dbraw/zinc/83/51/26/540835126.db2.gz VDKFVJUBBZZRCD-UHFFFAOYSA-N -1 1 371.422 2.026 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)cc1C(=O)[O-] ZINC000063849952 541188144 /nfs/dbraw/zinc/18/81/44/541188144.db2.gz KRORJDGKYIVJJL-UHFFFAOYSA-N -1 1 365.411 2.282 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1 ZINC000064476082 541207365 /nfs/dbraw/zinc/20/73/65/541207365.db2.gz VLSQGIGQPPERNB-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1cccc(F)c1 ZINC000064317076 541200879 /nfs/dbraw/zinc/20/08/79/541200879.db2.gz QXJVSLNWGNRTLE-UHFFFAOYSA-N -1 1 356.401 2.482 20 0 FEADMM O=C(NC[C@@H](O)COc1ccccc1)c1ccc(Br)cc1[O-] ZINC000066045435 541279046 /nfs/dbraw/zinc/27/90/46/541279046.db2.gz YROBHYRFFXYJBG-GFCCVEGCSA-N -1 1 366.211 2.324 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000066578757 541339422 /nfs/dbraw/zinc/33/94/22/541339422.db2.gz QLNRYXXBLSSWRM-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639267 541352235 /nfs/dbraw/zinc/35/22/35/541352235.db2.gz GCIJVJCCUNIGLK-UHFFFAOYSA-N -1 1 368.484 2.164 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000067020090 541407781 /nfs/dbraw/zinc/40/77/81/541407781.db2.gz HGDWWMKDTGUGTM-UHFFFAOYSA-N -1 1 362.393 2.006 20 0 FEADMM CCn1c(CNC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)n[n-]c1=S ZINC000067050652 541410787 /nfs/dbraw/zinc/41/07/87/541410787.db2.gz LWXKNIXQOWYRNE-VIFPVBQESA-N -1 1 367.862 2.049 20 0 FEADMM CC(C)n1c(CCNC(=O)Cn2ccc(C(F)(F)F)n2)n[n-]c1=S ZINC000067074157 541413730 /nfs/dbraw/zinc/41/37/30/541413730.db2.gz YXRFUNXPLWZPRA-UHFFFAOYSA-N -1 1 362.381 2.096 20 0 FEADMM Cn1cc(-c2cncc(C(=O)NCCc3n[n-]c(=S)n3C3CC3)c2)cn1 ZINC000067093425 541417233 /nfs/dbraw/zinc/41/72/33/541417233.db2.gz MKSUJZSBKRWQSN-UHFFFAOYSA-N -1 1 369.454 2.044 20 0 FEADMM O=S(=O)([N-]CC(F)(F)F)c1cccc(I)c1 ZINC000550794021 674110792 /nfs/dbraw/zinc/11/07/92/674110792.db2.gz VZEQJOBIRCZKNI-UHFFFAOYSA-N -1 1 365.114 2.132 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)ccc21 ZINC000068216417 541564209 /nfs/dbraw/zinc/56/42/09/541564209.db2.gz CGSKJYMTUKIZQP-UHFFFAOYSA-N -1 1 352.318 2.309 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000068935358 541642326 /nfs/dbraw/zinc/64/23/26/541642326.db2.gz ZWDFGZJFRHBSQX-HNNXBMFYSA-N -1 1 360.435 2.480 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000069696125 541704844 /nfs/dbraw/zinc/70/48/44/541704844.db2.gz OJHGCWOYSYFJLQ-LLVKDONJSA-N -1 1 369.347 2.290 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1 ZINC000071092238 541763577 /nfs/dbraw/zinc/76/35/77/541763577.db2.gz ZFGDINVUOHJZEC-UHFFFAOYSA-N -1 1 357.395 2.027 20 0 FEADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000071091890 541763824 /nfs/dbraw/zinc/76/38/24/541763824.db2.gz YQJKONPIJQYBBY-UHFFFAOYSA-N -1 1 372.493 2.247 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CSc1ccc(F)cc1 ZINC000074162096 542045426 /nfs/dbraw/zinc/04/54/26/542045426.db2.gz WAAPDJJQYITJFL-UHFFFAOYSA-N -1 1 360.414 2.187 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc2c(c1)CCCC2 ZINC000074161738 542045669 /nfs/dbraw/zinc/04/56/69/542045669.db2.gz JMCRLWHAJGWNKN-UHFFFAOYSA-N -1 1 350.422 2.448 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(-n2ccnc2)c1)c1cccc(F)c1F ZINC000074354702 542073839 /nfs/dbraw/zinc/07/38/39/542073839.db2.gz VTBCQVRGROYJNZ-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM COc1cccc(O[C@@H](C)CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000075504219 542182799 /nfs/dbraw/zinc/18/27/99/542182799.db2.gz PTPIFFTYZXFEGL-LBPRGKRZSA-N -1 1 353.378 2.129 20 0 FEADMM COC(=O)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCCC1 ZINC000075505835 542183171 /nfs/dbraw/zinc/18/31/71/542183171.db2.gz SUJRJKVESVRPTO-HNNXBMFYSA-N -1 1 357.410 2.165 20 0 FEADMM C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000551315393 674137396 /nfs/dbraw/zinc/13/73/96/674137396.db2.gz WKWVLCMRCZZYIL-VIFPVBQESA-N -1 1 353.669 2.085 20 0 FEADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000551474188 674146712 /nfs/dbraw/zinc/14/67/12/674146712.db2.gz KSCCLMXHKUAPCE-UHFFFAOYSA-N -1 1 352.362 2.360 20 0 FEADMM CCC[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)CC)C(=O)OCC ZINC000801831447 674151532 /nfs/dbraw/zinc/15/15/32/674151532.db2.gz KWATTZNPAJJSJZ-CQSZACIVSA-N -1 1 357.428 2.337 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(F)c1 ZINC000057115566 221084187 /nfs/dbraw/zinc/08/41/87/221084187.db2.gz XPVKXDDOGLCXED-UHFFFAOYSA-N -1 1 362.379 2.137 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000084650296 542718240 /nfs/dbraw/zinc/71/82/40/542718240.db2.gz XRVNEALQMVRBEH-UHFFFAOYSA-N -1 1 351.384 2.335 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n[n-]1 ZINC000086170340 542735078 /nfs/dbraw/zinc/73/50/78/542735078.db2.gz ZYHKCUMFFPKGAD-SECBINFHSA-N -1 1 365.390 2.400 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(C)C)n[n-]1 ZINC000086170748 542735096 /nfs/dbraw/zinc/73/50/96/542735096.db2.gz IXMDVEPYAMBQIX-NSHDSACASA-N -1 1 350.444 2.291 20 0 FEADMM CCC[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000091052255 542792652 /nfs/dbraw/zinc/79/26/52/542792652.db2.gz IYSBVNHYCXIHOJ-QMMMGPOBSA-N -1 1 356.263 2.131 20 0 FEADMM O=C([N-]c1c(F)cccc1F)c1nc2ncc(Br)cn2n1 ZINC000098096678 543020106 /nfs/dbraw/zinc/02/01/06/543020106.db2.gz BHYVWHFGKMOYML-UHFFFAOYSA-N -1 1 354.114 2.417 20 0 FEADMM CCCCn1nccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000102349584 543066368 /nfs/dbraw/zinc/06/63/68/543066368.db2.gz JLHQBULOGYONBQ-UHFFFAOYSA-N -1 1 366.425 2.318 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000102895147 543084497 /nfs/dbraw/zinc/08/44/97/543084497.db2.gz CTCJBVRAJORWQI-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000102895147 543084500 /nfs/dbraw/zinc/08/45/00/543084500.db2.gz CTCJBVRAJORWQI-UHFFFAOYSA-N -1 1 361.159 2.402 20 0 FEADMM O=C(NC[C@H](O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000104908023 543150154 /nfs/dbraw/zinc/15/01/54/543150154.db2.gz WFRFEWYPTBCIJI-CYBMUJFWSA-N -1 1 350.212 2.488 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000105388457 543172938 /nfs/dbraw/zinc/17/29/38/543172938.db2.gz VAFHNVIHOZWELU-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000111547792 543406795 /nfs/dbraw/zinc/40/67/95/543406795.db2.gz CZIMWNJOBJBKRB-UHFFFAOYSA-N -1 1 369.465 2.288 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1Cc1nc(-c2cccc(F)c2)no1 ZINC000113726596 543495828 /nfs/dbraw/zinc/49/58/28/543495828.db2.gz ULKKIKCTPNIJBU-UHFFFAOYSA-N -1 1 364.340 2.315 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000114412900 543513812 /nfs/dbraw/zinc/51/38/12/543513812.db2.gz UCYTYVAHHCRWSZ-UHFFFAOYSA-N -1 1 372.400 2.252 20 0 FEADMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1=O ZINC000114743098 543534980 /nfs/dbraw/zinc/53/49/80/543534980.db2.gz CEPXZLHOFPXCBS-NSHDSACASA-N -1 1 351.255 2.281 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC000115386447 543564073 /nfs/dbraw/zinc/56/40/73/543564073.db2.gz NMDYIOMZWALRNX-UHFFFAOYSA-N -1 1 354.385 2.127 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000116602119 543610977 /nfs/dbraw/zinc/61/09/77/543610977.db2.gz RSZIIEJWSIDQKG-UHFFFAOYSA-N -1 1 357.391 2.460 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(-n4cccn4)c3)ccc2N1 ZINC000117538194 543634917 /nfs/dbraw/zinc/63/49/17/543634917.db2.gz HOKMCUWTSGGVLA-UHFFFAOYSA-N -1 1 354.391 2.168 20 0 FEADMM O=S(=O)([N-]CCCOCC1CCOCC1)c1cc(F)c(F)cc1F ZINC000121656402 543697891 /nfs/dbraw/zinc/69/78/91/543697891.db2.gz OTGIAHCFCKJHMA-UHFFFAOYSA-N -1 1 367.389 2.216 20 0 FEADMM COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000123439017 543761843 /nfs/dbraw/zinc/76/18/43/543761843.db2.gz NSRLHRSABJVDSL-RYUDHWBXSA-N -1 1 350.396 2.402 20 0 FEADMM CN(CCN(C)C(=O)c1ccc(F)cc1O)C(=O)c1ccc(F)cc1[O-] ZINC000123453288 543762699 /nfs/dbraw/zinc/76/26/99/543762699.db2.gz VRQHIJZZCDYXEV-UHFFFAOYSA-N -1 1 364.348 2.220 20 0 FEADMM Cc1cc(Br)ccc1CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000124354146 543816652 /nfs/dbraw/zinc/81/66/52/543816652.db2.gz KESLVVOVFXGXAK-SNVBAGLBSA-N -1 1 352.236 2.075 20 0 FEADMM C[C@@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccc(Br)cc1 ZINC000124580169 543830350 /nfs/dbraw/zinc/83/03/50/543830350.db2.gz DLXUMDQLKBXTGY-VHSXEESVSA-N -1 1 352.236 2.328 20 0 FEADMM O=C(NCCn1cnnc1C1CC1)c1ccc(Br)cc1[O-] ZINC000126533505 543942122 /nfs/dbraw/zinc/94/21/22/543942122.db2.gz FEHLGFHPQZBDJF-UHFFFAOYSA-N -1 1 351.204 2.054 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CO)cc2)cc1C ZINC000129208148 544097077 /nfs/dbraw/zinc/09/70/77/544097077.db2.gz QBLDMWHDYYSRSZ-CQSZACIVSA-N -1 1 362.451 2.215 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1Cc1ccccn1 ZINC000129486374 544115090 /nfs/dbraw/zinc/11/50/90/544115090.db2.gz SKJSJHJOZODHBA-OAHLLOKOSA-N -1 1 365.441 2.081 20 0 FEADMM O=C(NCCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccs1 ZINC000131118737 544177776 /nfs/dbraw/zinc/17/77/76/544177776.db2.gz IVEFXRKCABTARH-UHFFFAOYSA-N -1 1 360.407 2.125 20 0 FEADMM CCOCCC1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCC1 ZINC000132844919 544245869 /nfs/dbraw/zinc/24/58/69/544245869.db2.gz KMDMBBWWKSBEEH-UHFFFAOYSA-N -1 1 367.515 2.446 20 0 FEADMM O=C(c1ncccc1[O-])N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000133953281 544289442 /nfs/dbraw/zinc/28/94/42/544289442.db2.gz WRTUBJKEMVNZLR-NSHDSACASA-N -1 1 353.300 2.495 20 0 FEADMM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1cc(F)ccc1F ZINC000134005884 544291262 /nfs/dbraw/zinc/29/12/62/544291262.db2.gz YKLLQYOQEOESAH-UHFFFAOYSA-N -1 1 354.382 2.247 20 0 FEADMM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1sccc1Br ZINC000134541323 544312434 /nfs/dbraw/zinc/31/24/34/544312434.db2.gz XGIOIXIVAYKZMV-UHFFFAOYSA-N -1 1 369.306 2.094 20 0 FEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134172466 544297512 /nfs/dbraw/zinc/29/75/12/544297512.db2.gz KNEBCAUOJXBDKA-MRXNPFEDSA-N -1 1 372.446 2.411 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC[C@@H](C)O)c2)c1 ZINC000136063992 544366357 /nfs/dbraw/zinc/36/63/57/544366357.db2.gz HIQSTFKCRDJYCS-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000137290732 544388386 /nfs/dbraw/zinc/38/83/86/544388386.db2.gz VTAPWGVHTMAHMD-SNVBAGLBSA-N -1 1 356.430 2.425 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](CCO)C2CCCCC2)c(=O)[n-]1 ZINC000151166805 544512490 /nfs/dbraw/zinc/51/24/90/544512490.db2.gz FHOQEWKSSHPTMR-HNNXBMFYSA-N -1 1 367.515 2.180 20 0 FEADMM C[C@H](c1cccc(Cl)c1)S(=O)(=O)C1N=NC(=O)N1C[C@@H]1CCCO1 ZINC000151883420 544591791 /nfs/dbraw/zinc/59/17/91/544591791.db2.gz PVWOIOXMIVMADE-MFKMUULPSA-N -1 1 371.846 2.351 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2F)c1 ZINC000153679049 544807367 /nfs/dbraw/zinc/80/73/67/544807367.db2.gz LWDYIUPZISLUDQ-SECBINFHSA-N -1 1 359.350 2.426 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c1 ZINC000153535853 544787862 /nfs/dbraw/zinc/78/78/62/544787862.db2.gz NQBJWBNELYUKPU-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000154361384 544896492 /nfs/dbraw/zinc/89/64/92/544896492.db2.gz XDKOZHOFUGZWJO-UHFFFAOYSA-N -1 1 354.472 2.479 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccoc2CC(N)=O)c1 ZINC000552428716 674208843 /nfs/dbraw/zinc/20/88/43/674208843.db2.gz IXWFKDVSIHQAAP-UHFFFAOYSA-N -1 1 353.172 2.336 20 0 FEADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000803109619 674223367 /nfs/dbraw/zinc/22/33/67/674223367.db2.gz CJRYNIPEECKHDD-ICCXJUOJSA-N -1 1 353.785 2.013 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cnc(OCC2CC2)cn1 ZINC000803172345 674226420 /nfs/dbraw/zinc/22/64/20/674226420.db2.gz NDHCFTHFHIOXLY-UHFFFAOYSA-N -1 1 365.187 2.381 20 0 FEADMM Cc1onc(-c2cccnc2)c1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000803823520 674261881 /nfs/dbraw/zinc/26/18/81/674261881.db2.gz OXMWZDCUSSAWRU-UHFFFAOYSA-N -1 1 357.288 2.270 20 0 FEADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCO1 ZINC000180845763 327704423 /nfs/dbraw/zinc/70/44/23/327704423.db2.gz VERAUECBLWKJGC-RDJZCZTQSA-N -1 1 374.485 2.282 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(C2CCCC2)nn1C ZINC000182324198 327770482 /nfs/dbraw/zinc/77/04/82/327770482.db2.gz BUQWZABGACRMPS-UHFFFAOYSA-N -1 1 368.441 2.212 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccc(C)o1 ZINC000185017104 327895094 /nfs/dbraw/zinc/89/50/94/327895094.db2.gz WNMNAMVAMLULMZ-LLVKDONJSA-N -1 1 367.349 2.013 20 0 FEADMM O=S(=O)([N-][C@H](CO)CC(F)F)c1c(F)cccc1OC(F)(F)F ZINC000553882539 674291700 /nfs/dbraw/zinc/29/17/00/674291700.db2.gz TVCYLPZMXLOIPY-LURJTMIESA-N -1 1 367.267 2.019 20 0 FEADMM O=S(=O)([N-]CCCOCCO)c1c(Cl)cc(Cl)cc1Cl ZINC000186335343 327957426 /nfs/dbraw/zinc/95/74/26/327957426.db2.gz PGKOCPSRZVMADB-UHFFFAOYSA-N -1 1 362.662 2.324 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1C ZINC000187283266 328012997 /nfs/dbraw/zinc/01/29/97/328012997.db2.gz XSVZTPBNKZHJRQ-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@@H](C)Cc1ccsc1 ZINC000187363655 328019767 /nfs/dbraw/zinc/01/97/67/328019767.db2.gz HVYHWOAVNBNEME-NSHDSACASA-N -1 1 356.469 2.343 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@@H](C)Cc1ccsc1 ZINC000187372728 328020551 /nfs/dbraw/zinc/02/05/51/328020551.db2.gz POVWRUBNCNCSGA-NSHDSACASA-N -1 1 356.469 2.343 20 0 FEADMM CS(=O)(=O)CCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000187440860 328025576 /nfs/dbraw/zinc/02/55/76/328025576.db2.gz BRXHJWZLZVNZID-UHFFFAOYSA-N -1 1 364.261 2.099 20 0 FEADMM Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2nc3ncncc3[n-]2)n1 ZINC000187468380 328028076 /nfs/dbraw/zinc/02/80/76/328028076.db2.gz QPJLXJCBDLHRGB-JTQLQIEISA-N -1 1 370.394 2.246 20 0 FEADMM Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2nc3cncnc3[n-]2)n1 ZINC000187468380 328028077 /nfs/dbraw/zinc/02/80/77/328028077.db2.gz QPJLXJCBDLHRGB-JTQLQIEISA-N -1 1 370.394 2.246 20 0 FEADMM Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2nc3c[n-]cnc-3n2)n1 ZINC000187468380 328028079 /nfs/dbraw/zinc/02/80/79/328028079.db2.gz QPJLXJCBDLHRGB-JTQLQIEISA-N -1 1 370.394 2.246 20 0 FEADMM CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2coc(CN)c2)ccc1F ZINC000187859495 328050954 /nfs/dbraw/zinc/05/09/54/328050954.db2.gz APKXVSXFQCYNJE-UHFFFAOYSA-N -1 1 369.418 2.207 20 0 FEADMM O=S(=O)([N-]CCCn1ccnn1)c1ccc(Cl)c(F)c1Cl ZINC000188174026 328071306 /nfs/dbraw/zinc/07/13/06/328071306.db2.gz PSTOHUZRHVEDQB-UHFFFAOYSA-N -1 1 353.206 2.093 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000190608705 328219149 /nfs/dbraw/zinc/21/91/49/328219149.db2.gz IAZATJGHRNWMCM-UHFFFAOYSA-N -1 1 373.360 2.010 20 0 FEADMM CCc1ccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c([O-])c1 ZINC000190885183 328238406 /nfs/dbraw/zinc/23/84/06/328238406.db2.gz NYCUCWIOBLQIPH-UHFFFAOYSA-N -1 1 371.441 2.201 20 0 FEADMM O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191209182 328254292 /nfs/dbraw/zinc/25/42/92/328254292.db2.gz MMPCPYSQAJBMDL-RHSMWYFYSA-N -1 1 374.462 2.378 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000007057042 324353284 /nfs/dbraw/zinc/35/32/84/324353284.db2.gz OZWZVGZPQSQZBZ-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM CC(=O)NCC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000224666846 328483140 /nfs/dbraw/zinc/48/31/40/328483140.db2.gz NDDYCVNLXLJKHZ-UHFFFAOYSA-N -1 1 355.232 2.143 20 0 FEADMM COC[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000219857754 328482872 /nfs/dbraw/zinc/48/28/72/328482872.db2.gz XQRRXGYQZGRTSD-QMMMGPOBSA-N -1 1 362.662 2.323 20 0 FEADMM O=C(N[C@H]1CCCC[C@H]1O)c1ccc(I)c([O-])c1 ZINC000230903558 328487478 /nfs/dbraw/zinc/48/74/78/328487478.db2.gz LRGPLHCTPQVAHT-WDEREUQCSA-N -1 1 361.179 2.030 20 0 FEADMM CC(C)(C)CC(=O)NCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000053793536 324749123 /nfs/dbraw/zinc/74/91/23/324749123.db2.gz MBIPXYKJASLWEZ-UHFFFAOYSA-N -1 1 360.454 2.366 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000080550782 325135920 /nfs/dbraw/zinc/13/59/20/325135920.db2.gz XKMDACSASCFIQZ-UHFFFAOYSA-N -1 1 365.437 2.492 20 0 FEADMM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cc4ccccc4o3)C2)cn1 ZINC000084938908 325246999 /nfs/dbraw/zinc/24/69/99/325246999.db2.gz WOCSZJXEQFNBGH-AWEZNQCLSA-N -1 1 360.439 2.114 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2csc(-c3ccccc3OC)n2)n[n-]1 ZINC000086170432 325261577 /nfs/dbraw/zinc/26/15/77/325261577.db2.gz RZGCHUBRZVLVCU-UHFFFAOYSA-N -1 1 364.452 2.473 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1-n1ccnc1 ZINC000091212492 325380091 /nfs/dbraw/zinc/38/00/91/325380091.db2.gz NRPAKWNORDIXSM-UHFFFAOYSA-N -1 1 365.437 2.492 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c(C)c1 ZINC000091557306 325387550 /nfs/dbraw/zinc/38/75/50/325387550.db2.gz NMPXSILKJIIENT-UHFFFAOYSA-N -1 1 365.455 2.235 20 0 FEADMM CC(C)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000091623780 325389023 /nfs/dbraw/zinc/38/90/23/325389023.db2.gz QORDVTYYCLFGAV-AWEZNQCLSA-N -1 1 359.426 2.409 20 0 FEADMM C[C@@H](O)CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000092224970 325406016 /nfs/dbraw/zinc/40/60/16/325406016.db2.gz MTEOXFKRSHFHCE-SNVBAGLBSA-N -1 1 364.348 2.376 20 0 FEADMM C[C@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000098078106 325466101 /nfs/dbraw/zinc/46/61/01/325466101.db2.gz FIWCGAVDVOJKIX-NSHDSACASA-N -1 1 368.842 2.251 20 0 FEADMM CC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])COC1 ZINC000112728405 325803226 /nfs/dbraw/zinc/80/32/26/325803226.db2.gz BNUWLTLPWHDMLX-QGZVFWFLSA-N -1 1 368.433 2.303 20 0 FEADMM CCOc1ccccc1CCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114412932 325890116 /nfs/dbraw/zinc/89/01/16/325890116.db2.gz GREMEQQCTZVTBL-UHFFFAOYSA-N -1 1 368.437 2.287 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000114411802 325890215 /nfs/dbraw/zinc/89/02/15/325890215.db2.gz PKUAVCLBLVUFFG-NSHDSACASA-N -1 1 356.401 2.274 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000115475878 325960701 /nfs/dbraw/zinc/96/07/01/325960701.db2.gz QVNJLYPZFOMGCB-UHFFFAOYSA-N -1 1 366.414 2.379 20 0 FEADMM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000116355994 326009226 /nfs/dbraw/zinc/00/92/26/326009226.db2.gz DWUQGRNNXTVCMR-NEPJUHHUSA-N -1 1 360.426 2.327 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2(O)CCCCCC2)o1 ZINC000118699810 326098291 /nfs/dbraw/zinc/09/82/91/326098291.db2.gz HQWUZLZLCXAHRA-UHFFFAOYSA-N -1 1 372.487 2.172 20 0 FEADMM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C[C@H](c2ccsc2)O1 ZINC000119348084 326152430 /nfs/dbraw/zinc/15/24/30/326152430.db2.gz WHCWGBQKJNCLSC-QMTHXVAHSA-N -1 1 358.423 2.338 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC1(C2CC2)CCC1 ZINC000119511683 326170449 /nfs/dbraw/zinc/17/04/49/326170449.db2.gz NQXWEVOYXOAVDO-UHFFFAOYSA-N -1 1 352.438 2.379 20 0 FEADMM CCCC[C@@H](COC)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000119696385 326188755 /nfs/dbraw/zinc/18/87/55/326188755.db2.gz APLVKLMJZDWOII-INIZCTEOSA-N -1 1 372.469 2.394 20 0 FEADMM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121594169 326350446 /nfs/dbraw/zinc/35/04/46/326350446.db2.gz PXEJUSIOMKVUSA-WKEGUHRASA-N -1 1 356.188 2.183 20 0 FEADMM CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000126991661 326498535 /nfs/dbraw/zinc/49/85/35/326498535.db2.gz YFRIYXGYSQEBED-AWEZNQCLSA-N -1 1 374.503 2.129 20 0 FEADMM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000129266471 326537561 /nfs/dbraw/zinc/53/75/61/326537561.db2.gz KKZCNSFLOUPYJM-HNNXBMFYSA-N -1 1 356.397 2.495 20 0 FEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000133008451 326601633 /nfs/dbraw/zinc/60/16/33/326601633.db2.gz LJXHEDKCYVYEJP-UHFFFAOYSA-N -1 1 355.412 2.265 20 0 FEADMM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134172707 326621164 /nfs/dbraw/zinc/62/11/64/326621164.db2.gz KNEBCAUOJXBDKA-INIZCTEOSA-N -1 1 372.446 2.411 20 0 FEADMM Cn1cc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[n-]3)c2)cn1 ZINC000135430943 326641306 /nfs/dbraw/zinc/64/13/06/326641306.db2.gz HOYIQLRVMAUVCX-UHFFFAOYSA-N -1 1 359.389 2.254 20 0 FEADMM NC(=O)[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000137100545 326657981 /nfs/dbraw/zinc/65/79/81/326657981.db2.gz XRKDGUURUXBWCB-ZDUSSCGKSA-N -1 1 367.174 2.250 20 0 FEADMM CC(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151028034 326673268 /nfs/dbraw/zinc/67/32/68/326673268.db2.gz YGOBHNIQRBNTRZ-UHFFFAOYSA-N -1 1 358.769 2.162 20 0 FEADMM CCCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000153098832 326723892 /nfs/dbraw/zinc/72/38/92/326723892.db2.gz VFPJVHJHQKITKP-KBPBESRZSA-N -1 1 372.487 2.244 20 0 FEADMM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153700610 326740263 /nfs/dbraw/zinc/74/02/63/326740263.db2.gz WFAQABXZJAOCHB-LLVKDONJSA-N -1 1 354.834 2.433 20 0 FEADMM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1[O-] ZINC000155504643 326790698 /nfs/dbraw/zinc/79/06/98/326790698.db2.gz DEGPFUSJRUSRCX-JTQLQIEISA-N -1 1 350.724 2.329 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](C)Cc1cccs1 ZINC000156226611 326822691 /nfs/dbraw/zinc/82/26/91/326822691.db2.gz JDRSHRKHPBQZKR-NSHDSACASA-N -1 1 358.467 2.238 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000163657528 327056138 /nfs/dbraw/zinc/05/61/38/327056138.db2.gz PKKAZWYDAHQEII-LLVKDONJSA-N -1 1 354.122 2.294 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000170630081 327089814 /nfs/dbraw/zinc/08/98/14/327089814.db2.gz FAHGLLRWGSVJDQ-IMJJTQAJSA-N -1 1 352.438 2.235 20 0 FEADMM O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000171271441 327128863 /nfs/dbraw/zinc/12/88/63/327128863.db2.gz KTLWDBIUPKFBLB-UHFFFAOYSA-N -1 1 359.813 2.429 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1 ZINC000171290225 327130059 /nfs/dbraw/zinc/13/00/59/327130059.db2.gz WIMLDTPJZJYYEH-ZANVPECISA-N -1 1 354.414 2.470 20 0 FEADMM CC(C)(C)c1nc(CN2CCN(C(=O)c3cncc([O-])c3)CC2)cs1 ZINC000171863978 327166291 /nfs/dbraw/zinc/16/62/91/327166291.db2.gz UIRBFXAAEKGQQR-UHFFFAOYSA-N -1 1 360.483 2.499 20 0 FEADMM Cc1csc([C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C2CC2)n1 ZINC000173379072 327252803 /nfs/dbraw/zinc/25/28/03/327252803.db2.gz YERNNOXSBHOXLH-QGZVFWFLSA-N -1 1 371.466 2.214 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)c1Cl ZINC000173957784 327297929 /nfs/dbraw/zinc/29/79/29/327297929.db2.gz BQACWVQYFDZIQL-UHFFFAOYSA-N -1 1 373.837 2.197 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@](C)(O)CCC(C)C)c(=O)[n-]1 ZINC000174473410 327329077 /nfs/dbraw/zinc/32/90/77/327329077.db2.gz JONIEPCFCXEAQY-KRWDZBQOSA-N -1 1 355.504 2.036 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000175974520 327425485 /nfs/dbraw/zinc/42/54/85/327425485.db2.gz OEOJSBRZPWVYBV-UHFFFAOYSA-N -1 1 352.398 2.209 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000176021525 327428685 /nfs/dbraw/zinc/42/86/85/327428685.db2.gz ZIGPDHCVNNMCHB-UHFFFAOYSA-N -1 1 352.398 2.209 20 0 FEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccc(OCC2CCCCC2)cc1 ZINC000176255011 327444259 /nfs/dbraw/zinc/44/42/59/327444259.db2.gz BAGSNZSSLPTMBV-UHFFFAOYSA-N -1 1 358.442 2.420 20 0 FEADMM CCc1ccc(N2CCN(C(=O)c3c(C)[n-]c(=O)nc3SC)CC2)cc1 ZINC000176482508 327458492 /nfs/dbraw/zinc/45/84/92/327458492.db2.gz AUCIIMYSMBTRKB-UHFFFAOYSA-N -1 1 372.494 2.325 20 0 FEADMM Cc1ccnc2nc(C(=O)[N-]c3nnc(/C=C\c4ccco4)s3)nn21 ZINC000255423708 328801959 /nfs/dbraw/zinc/80/19/59/328801959.db2.gz OECWGJTZEOTJIK-PLNGDYQASA-N -1 1 353.367 2.300 20 0 FEADMM O=C([O-])C1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000262632284 328877459 /nfs/dbraw/zinc/87/74/59/328877459.db2.gz HGSWKPBFUFJTAG-UHFFFAOYSA-N -1 1 359.253 2.449 20 0 FEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000263481459 328942869 /nfs/dbraw/zinc/94/28/69/328942869.db2.gz ODLXCHWKBABYPQ-GOSISDBHSA-N -1 1 359.470 2.200 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)C[C@H]1CCCO1 ZINC000264403178 329018987 /nfs/dbraw/zinc/01/89/87/329018987.db2.gz OPMGMYBLJGMRCD-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)o1 ZINC000264471356 329026750 /nfs/dbraw/zinc/02/67/50/329026750.db2.gz XQRGKOPMWJFVPX-SECBINFHSA-N -1 1 357.457 2.094 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)o1 ZINC000264545649 329034437 /nfs/dbraw/zinc/03/44/37/329034437.db2.gz BPLMIRPKMQWTFE-XJKSGUPXSA-N -1 1 365.407 2.265 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000265513745 329134935 /nfs/dbraw/zinc/13/49/35/329134935.db2.gz AZJXVOPVCRHJIL-QFIPXVFZSA-N -1 1 353.465 2.414 20 0 FEADMM CCCCc1nnc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)s1 ZINC000265832111 329164992 /nfs/dbraw/zinc/16/49/92/329164992.db2.gz QIDARBKIGGMXSL-UHFFFAOYSA-N -1 1 360.399 2.191 20 0 FEADMM CCCCc1nnc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)s1 ZINC000265832111 329164994 /nfs/dbraw/zinc/16/49/94/329164994.db2.gz QIDARBKIGGMXSL-UHFFFAOYSA-N -1 1 360.399 2.191 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)o1 ZINC000265883593 329169453 /nfs/dbraw/zinc/16/94/53/329169453.db2.gz PBNKQSKPOFVSPK-UHFFFAOYSA-N -1 1 370.330 2.020 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265914254 329172451 /nfs/dbraw/zinc/17/24/51/329172451.db2.gz BEHUWPYNWZKGGM-IAOVAPTHSA-N -1 1 368.437 2.025 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265950360 329175746 /nfs/dbraw/zinc/17/57/46/329175746.db2.gz HCSIEDFDALTRDZ-XYPHTWIQSA-N -1 1 368.437 2.025 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)o1 ZINC000266174044 329197319 /nfs/dbraw/zinc/19/73/19/329197319.db2.gz KABGHVZXNFWKFV-LBPRGKRZSA-N -1 1 356.425 2.261 20 0 FEADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc(OC)c1OC ZINC000266342807 329213160 /nfs/dbraw/zinc/21/31/60/329213160.db2.gz WSQYOCFGWSEECC-UHFFFAOYSA-N -1 1 371.367 2.113 20 0 FEADMM CC[C@@H]1CO[C@H](C)CN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000266344760 329213412 /nfs/dbraw/zinc/21/34/12/329213412.db2.gz ZBHUFSUPANRTMW-IUODEOHRSA-N -1 1 356.426 2.121 20 0 FEADMM COc1ccc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1[N-]S(C)(=O)=O ZINC000266486185 329228264 /nfs/dbraw/zinc/22/82/64/329228264.db2.gz CXMQQXIZYXLLEJ-YPMHNXCESA-N -1 1 356.444 2.353 20 0 FEADMM CCC(O)(CC)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000266613786 329241792 /nfs/dbraw/zinc/24/17/92/329241792.db2.gz YFIAHBOPPWLJDY-UHFFFAOYSA-N -1 1 358.442 2.153 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1ccc(C)o1 ZINC000267002037 329281829 /nfs/dbraw/zinc/28/18/29/329281829.db2.gz FXMNGVAYQNTSIM-LBPRGKRZSA-N -1 1 353.396 2.025 20 0 FEADMM COc1ccc(OCCCNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000267025386 329284570 /nfs/dbraw/zinc/28/45/70/329284570.db2.gz QMCBNPDQPMTBRQ-UHFFFAOYSA-N -1 1 363.439 2.420 20 0 FEADMM COCCOc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000267056015 329287225 /nfs/dbraw/zinc/28/72/25/329287225.db2.gz WPJXFQSCXGRPFW-UHFFFAOYSA-N -1 1 363.439 2.168 20 0 FEADMM CCCN(CC(C)(C)O)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000267059309 329287545 /nfs/dbraw/zinc/28/75/45/329287545.db2.gz GSCYLIBJCZTMFU-UHFFFAOYSA-N -1 1 372.469 2.495 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)c1ccco1 ZINC000267065836 329288241 /nfs/dbraw/zinc/28/82/41/329288241.db2.gz PZSAZPOMDQNHLM-CYBMUJFWSA-N -1 1 353.396 2.041 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000267143645 329296101 /nfs/dbraw/zinc/29/61/01/329296101.db2.gz JFUVLLQVRIYVBF-UHFFFAOYSA-N -1 1 361.773 2.425 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)ccc1C ZINC000267318176 329313976 /nfs/dbraw/zinc/31/39/76/329313976.db2.gz MTFJOQADJMBOAM-UHFFFAOYSA-N -1 1 363.439 2.039 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)n(-c2ccncc2)n1 ZINC000267632598 329345105 /nfs/dbraw/zinc/34/51/05/329345105.db2.gz ZCVHHSAQFXDTRJ-UHFFFAOYSA-N -1 1 360.443 2.229 20 0 FEADMM COCCC1(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000269175992 329493778 /nfs/dbraw/zinc/49/37/78/329493778.db2.gz YNVJSCDIHFODMZ-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000270013991 329568320 /nfs/dbraw/zinc/56/83/20/329568320.db2.gz SQAZPXABRKQIEN-QGZVFWFLSA-N -1 1 372.469 2.254 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)OC)c1ccco1 ZINC000270056194 329571275 /nfs/dbraw/zinc/57/12/75/329571275.db2.gz WAYBIMRNEGYHOA-CYBMUJFWSA-N -1 1 353.396 2.041 20 0 FEADMM COC(=O)[C@]1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCSC1 ZINC000270670057 329620512 /nfs/dbraw/zinc/62/05/12/329620512.db2.gz PSLFRWLEGMLNKF-ZDUSSCGKSA-N -1 1 351.321 2.222 20 0 FEADMM COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000271231106 329675229 /nfs/dbraw/zinc/67/52/29/329675229.db2.gz IUUDQLPRFMDCPW-UHFFFAOYSA-N -1 1 374.368 2.265 20 0 FEADMM CCCN(CCO)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271337767 329685412 /nfs/dbraw/zinc/68/54/12/329685412.db2.gz NWYMYMFXIBJZOH-UHFFFAOYSA-N -1 1 364.320 2.348 20 0 FEADMM CC[C@H](CO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271923802 329737486 /nfs/dbraw/zinc/73/74/86/329737486.db2.gz UBCPKBRRSSXRED-MRVPVSSYSA-N -1 1 350.293 2.004 20 0 FEADMM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000272561515 329792112 /nfs/dbraw/zinc/79/21/12/329792112.db2.gz VMJQPQMHFNLRRL-WCQYABFASA-N -1 1 356.444 2.210 20 0 FEADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000272590264 329794524 /nfs/dbraw/zinc/79/45/24/329794524.db2.gz MRINNEYXFLTEBS-OLZOCXBDSA-N -1 1 370.471 2.034 20 0 FEADMM Cc1ccc(Cc2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)cn1 ZINC000273944060 329904491 /nfs/dbraw/zinc/90/44/91/329904491.db2.gz NHTRMBZVFZCQAP-NSHDSACASA-N -1 1 364.452 2.465 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1c(C)oc2ccccc21 ZINC000274234994 329929242 /nfs/dbraw/zinc/92/92/42/329929242.db2.gz AOCBLUWDXBADLE-UHFFFAOYSA-N -1 1 363.395 2.120 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCCS2(=O)=O)c1 ZINC000274760891 329977659 /nfs/dbraw/zinc/97/76/59/329977659.db2.gz GVPRFIJGQMHHHQ-NSHDSACASA-N -1 1 362.245 2.369 20 0 FEADMM CC[C@@]1(CO)CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000275229196 330024261 /nfs/dbraw/zinc/02/42/61/330024261.db2.gz PDWLWEZFIGSTNP-HXUWFJFHSA-N -1 1 370.453 2.106 20 0 FEADMM Cc1ncc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C(C)C)n1 ZINC000291384213 330188599 /nfs/dbraw/zinc/18/85/99/330188599.db2.gz FRYVROBKOYNNDR-GFCCVEGCSA-N -1 1 372.391 2.439 20 0 FEADMM Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)cn1 ZINC000371456585 330243687 /nfs/dbraw/zinc/24/36/87/330243687.db2.gz GTHMTXASXYGTFI-GXTWGEPZSA-N -1 1 359.455 2.219 20 0 FEADMM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000804986352 674310669 /nfs/dbraw/zinc/31/06/69/674310669.db2.gz IIOMJJCYNMVLRM-UHFFFAOYSA-N -1 1 356.181 2.484 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc(F)c1F ZINC000805142933 674323081 /nfs/dbraw/zinc/32/30/81/674323081.db2.gz ANBXAJHTZDKQGZ-SNVBAGLBSA-N -1 1 355.309 2.218 20 0 FEADMM CN(C)c1nccc(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)n1 ZINC000554871624 674339217 /nfs/dbraw/zinc/33/92/17/674339217.db2.gz YKLRHYKLKKOGCL-UHFFFAOYSA-N -1 1 357.801 2.380 20 0 FEADMM CO[C@@H](C)c1nc(=NC(=O)NC[C@H](c2ccsc2)N(C)C)s[n-]1 ZINC000554925519 674341717 /nfs/dbraw/zinc/34/17/17/674341717.db2.gz ZEVRXELOPHLGPE-GXSJLCMTSA-N -1 1 355.489 2.153 20 0 FEADMM Cc1cc(Br)c(C(=O)OCc2nc(=O)n(C)[n-]2)cc1Cl ZINC000805599864 674347073 /nfs/dbraw/zinc/34/70/73/674347073.db2.gz IFDILIQNVNZAGF-UHFFFAOYSA-N -1 1 360.595 2.190 20 0 FEADMM O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155463883 545529331 /nfs/dbraw/zinc/52/93/31/545529331.db2.gz NBEBLLQHEMQOQK-AWEZNQCLSA-N -1 1 363.425 2.283 20 0 FEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCC2 ZINC000477442806 561145060 /nfs/dbraw/zinc/14/50/60/561145060.db2.gz KCLBGZTWEPATRO-SECBINFHSA-N -1 1 364.427 2.065 20 0 FEADMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157590495 545757515 /nfs/dbraw/zinc/75/75/15/545757515.db2.gz JEDNBIQZFVMFEU-UHFFFAOYSA-N -1 1 369.328 2.095 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(CCO)CC1CC1 ZINC000477958326 561157016 /nfs/dbraw/zinc/15/70/16/561157016.db2.gz NQGLECLVOLRFHA-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3)cc12 ZINC000158605368 545876778 /nfs/dbraw/zinc/87/67/78/545876778.db2.gz JMUOEHZMBGXZGT-UHFFFAOYSA-N -1 1 368.422 2.263 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(CO)C3)cc2)cc1C ZINC000159114924 545922642 /nfs/dbraw/zinc/92/26/42/545922642.db2.gz YLYAFWFQFPPBSW-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478295810 561163855 /nfs/dbraw/zinc/16/38/55/561163855.db2.gz TVFBTBIGDHUQQF-DZGCQCFKSA-N -1 1 357.385 2.109 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCSc2c(F)cccc21 ZINC000478341897 561164769 /nfs/dbraw/zinc/16/47/69/561164769.db2.gz NDZDTCHXTHNPHL-LBPRGKRZSA-N -1 1 361.398 2.009 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2cccc(C)c2)o1 ZINC000479161767 561183114 /nfs/dbraw/zinc/18/31/14/561183114.db2.gz LCGAMRTVTMHGJL-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1cc(F)ccc1F ZINC000171045013 546187875 /nfs/dbraw/zinc/18/78/75/546187875.db2.gz BKGNVPPRUKXFSD-UHFFFAOYSA-N -1 1 359.325 2.449 20 0 FEADMM Cc1ccccc1C[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000171460044 546210057 /nfs/dbraw/zinc/21/00/57/546210057.db2.gz VJKOGIVMQCRUSZ-ZDUSSCGKSA-N -1 1 352.438 2.238 20 0 FEADMM CC[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000171639120 546217878 /nfs/dbraw/zinc/21/78/78/546217878.db2.gz LBKMGJIGWJVRHA-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM Cc1cc(I)cnc1NC(=O)c1cncc([O-])c1 ZINC000175760721 546345208 /nfs/dbraw/zinc/34/52/08/546345208.db2.gz VXFXUJUYWCBWFW-UHFFFAOYSA-N -1 1 355.135 2.348 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000175961194 546380022 /nfs/dbraw/zinc/38/00/22/546380022.db2.gz WMSBICFXKKXMJT-UHFFFAOYSA-N -1 1 354.435 2.480 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCn2c3ccccc3nc21 ZINC000175985748 546385578 /nfs/dbraw/zinc/38/55/78/546385578.db2.gz GMRPDYBNOZNABE-UHFFFAOYSA-N -1 1 351.410 2.386 20 0 FEADMM Cc1[nH]ncc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000176037363 546393780 /nfs/dbraw/zinc/39/37/80/546393780.db2.gz NIDVJVLRQAOVMV-UHFFFAOYSA-N -1 1 363.424 2.228 20 0 FEADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000176045872 546395277 /nfs/dbraw/zinc/39/52/77/546395277.db2.gz VHFYWOSZVZDYRL-UHFFFAOYSA-N -1 1 358.803 2.450 20 0 FEADMM Cc1ncc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)s1 ZINC000480188612 561204437 /nfs/dbraw/zinc/20/44/37/561204437.db2.gz GDNDDEHYCUWCDS-UHFFFAOYSA-N -1 1 350.219 2.115 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000176436851 546445704 /nfs/dbraw/zinc/44/57/04/546445704.db2.gz SIGCKSWMOPSQPR-UHFFFAOYSA-N -1 1 370.359 2.164 20 0 FEADMM CCC[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1nn[n-]n1 ZINC000176751292 546483066 /nfs/dbraw/zinc/48/30/66/546483066.db2.gz HACGLABHUKIXFZ-LBPRGKRZSA-N -1 1 360.805 2.438 20 0 FEADMM CCS[C@@H]1CCC[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000176756254 546484622 /nfs/dbraw/zinc/48/46/22/546484622.db2.gz VGBKCMNTJVFAMK-ZIAGYGMSSA-N -1 1 362.499 2.362 20 0 FEADMM CCC[C@H](NC(=O)C=Cc1ccc(OC(F)F)c(OC)c1)c1nn[n-]n1 ZINC000176765531 546485139 /nfs/dbraw/zinc/48/51/39/546485139.db2.gz DDNDFPLNYJCZAX-IOCXFXADSA-N -1 1 367.356 2.481 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)N(C)c2ccccc2)o1 ZINC000177354274 546600075 /nfs/dbraw/zinc/60/00/75/546600075.db2.gz WZYBZLDQEFFVFO-ZDUSSCGKSA-N -1 1 366.439 2.260 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1(CF)CCC1 ZINC000566285028 675200922 /nfs/dbraw/zinc/20/09/22/675200922.db2.gz ZNEXTBKZABASBZ-UHFFFAOYSA-N -1 1 356.419 2.255 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1(CC)CC ZINC000177707644 546671394 /nfs/dbraw/zinc/67/13/94/546671394.db2.gz YDJGTUSOZGMSBS-HZPDHXFCSA-N -1 1 374.485 2.282 20 0 FEADMM O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000180345767 547087879 /nfs/dbraw/zinc/08/78/79/547087879.db2.gz LNQRRUIGSPUTMV-LSDHHAIUSA-N -1 1 350.378 2.288 20 0 FEADMM Cc1cccc2c(CC(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c[nH]c21 ZINC000181031817 547235469 /nfs/dbraw/zinc/23/54/69/547235469.db2.gz OGBKYTSBYCSQOI-UHFFFAOYSA-N -1 1 359.407 2.011 20 0 FEADMM CCn1c2ccc(C)cc2nc1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000182498821 547503337 /nfs/dbraw/zinc/50/33/37/547503337.db2.gz RUTNTIGRRYVZAZ-UHFFFAOYSA-N -1 1 362.411 2.118 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc(C)c1C ZINC000484051312 561290594 /nfs/dbraw/zinc/29/05/94/561290594.db2.gz ZRNMWSFBEMIMTH-UHFFFAOYSA-N -1 1 374.418 2.385 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(N(C)C)c1C ZINC000182994220 547585187 /nfs/dbraw/zinc/58/51/87/547585187.db2.gz ATNYCOWHASDLHH-UHFFFAOYSA-N -1 1 353.426 2.195 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CC(C)(C)OC2(C)C)c(=O)[n-]1 ZINC000183100923 547602031 /nfs/dbraw/zinc/60/20/31/547602031.db2.gz VPBOOCGRVAMAPJ-LBPRGKRZSA-N -1 1 353.488 2.195 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183410190 547653322 /nfs/dbraw/zinc/65/33/22/547653322.db2.gz DWWGJTGEBGLKOM-OCHBPSSRSA-N -1 1 365.441 2.278 20 0 FEADMM COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)ccc21 ZINC000183421147 547655798 /nfs/dbraw/zinc/65/57/98/547655798.db2.gz YTQPMYQVRNAFHG-GFCCVEGCSA-N -1 1 370.457 2.293 20 0 FEADMM CCc1nc(S(=O)(=O)CCc2cc(Cl)c3c(c2)OCCCO3)n[n-]1 ZINC000183522456 547675312 /nfs/dbraw/zinc/67/53/12/547675312.db2.gz BOXRXANVOFICPJ-UHFFFAOYSA-N -1 1 371.846 2.198 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000484729180 561304615 /nfs/dbraw/zinc/30/46/15/561304615.db2.gz RAFQBUBYAMTCTJ-ZDUSSCGKSA-N -1 1 368.846 2.242 20 0 FEADMM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)c([O-])c1 ZINC000184211207 547788273 /nfs/dbraw/zinc/78/82/73/547788273.db2.gz ZDRKTDRZLOVGLY-UHFFFAOYSA-N -1 1 362.183 2.254 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc(C(=O)[O-])c1Cl ZINC000185106387 547934667 /nfs/dbraw/zinc/93/46/67/547934667.db2.gz FFMTYBWIBRNFLT-QWRGUYRKSA-N -1 1 372.874 2.250 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](C)c1nccs1 ZINC000186006011 548071946 /nfs/dbraw/zinc/07/19/46/548071946.db2.gz VBXBNEYKTIPSRM-SNVBAGLBSA-N -1 1 359.455 2.361 20 0 FEADMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000186709016 548178004 /nfs/dbraw/zinc/17/80/04/548178004.db2.gz DQKARCYBQXQPOD-UHFFFAOYSA-N -1 1 358.769 2.291 20 0 FEADMM O=S(=O)([N-]CC(F)(F)C(F)F)c1cnn(Cc2ccccc2)c1 ZINC000486000939 561334708 /nfs/dbraw/zinc/33/47/08/561334708.db2.gz FVWUAKRYTMLUBR-UHFFFAOYSA-N -1 1 351.325 2.110 20 0 FEADMM O=c1cc(/C=C/c2cn(-c3ccc(Cl)cc3Cl)nn2)nc2nc[n-]n21 ZINC000486143965 561339290 /nfs/dbraw/zinc/33/92/90/561339290.db2.gz HJWXKFAEHDMZHV-NSCUHMNNSA-N -1 1 374.191 2.476 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cccc3nn[nH]c32)n1 ZINC000188251520 548274784 /nfs/dbraw/zinc/27/47/84/548274784.db2.gz QXUIBGIDOFAPFD-LLVKDONJSA-N -1 1 358.402 2.347 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)c1 ZINC000486503545 561349177 /nfs/dbraw/zinc/34/91/77/561349177.db2.gz XEFWSCBPJFROCM-UHFFFAOYSA-N -1 1 364.423 2.141 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1nc2cc(F)c(F)cc2s1 ZINC000486613604 561352386 /nfs/dbraw/zinc/35/23/86/561352386.db2.gz CTEXNKTVCFSWPK-UHFFFAOYSA-N -1 1 364.333 2.044 20 0 FEADMM C[C@@]1(c2ccccc2)CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000486779591 561356260 /nfs/dbraw/zinc/35/62/60/561356260.db2.gz NOFMYSFKKXBLGI-HXUWFJFHSA-N -1 1 353.422 2.097 20 0 FEADMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000486850268 561358123 /nfs/dbraw/zinc/35/81/23/561358123.db2.gz FCICNUJMLQOALR-AWEZNQCLSA-N -1 1 361.829 2.308 20 0 FEADMM COCCCCS(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195117018 548579850 /nfs/dbraw/zinc/57/98/50/548579850.db2.gz JVDLCJHHOCEOCY-UHFFFAOYSA-N -1 1 359.835 2.237 20 0 FEADMM COCCCCS(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195117018 548579853 /nfs/dbraw/zinc/57/98/53/548579853.db2.gz JVDLCJHHOCEOCY-UHFFFAOYSA-N -1 1 359.835 2.237 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1ccc2ncccc2c1 ZINC000486893779 561359255 /nfs/dbraw/zinc/35/92/55/561359255.db2.gz LKAXMDLOQFKDQO-UHFFFAOYSA-N -1 1 352.379 2.216 20 0 FEADMM CC(C)c1noc([C@H](C)S(=O)(=O)c2nc(Cc3cccs3)n[n-]2)n1 ZINC000195158581 548587512 /nfs/dbraw/zinc/58/75/12/548587512.db2.gz VFAWPEYSHVRBFQ-VIFPVBQESA-N -1 1 367.456 2.498 20 0 FEADMM CC(C)c1noc([C@H](C)S(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000195158581 548587517 /nfs/dbraw/zinc/58/75/17/548587517.db2.gz VFAWPEYSHVRBFQ-VIFPVBQESA-N -1 1 367.456 2.498 20 0 FEADMM CC(C)CCC[C@@H](C)NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195172228 548590136 /nfs/dbraw/zinc/59/01/36/548590136.db2.gz XHCRZJQULSNCPL-GFCCVEGCSA-N -1 1 358.508 2.207 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Cl)sc3[nH]2)c1 ZINC000486943361 561359983 /nfs/dbraw/zinc/35/99/83/561359983.db2.gz UEIVRNFHWRFSGW-UHFFFAOYSA-N -1 1 371.827 2.488 20 0 FEADMM Cc1nnc([C@@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)o1 ZINC000195212679 548597642 /nfs/dbraw/zinc/59/76/42/548597642.db2.gz JLHQOCZYOOOQBR-SECBINFHSA-N -1 1 359.411 2.187 20 0 FEADMM Cc1nnc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)o1 ZINC000195212679 548597645 /nfs/dbraw/zinc/59/76/45/548597645.db2.gz JLHQOCZYOOOQBR-SECBINFHSA-N -1 1 359.411 2.187 20 0 FEADMM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000228077289 548753567 /nfs/dbraw/zinc/75/35/67/548753567.db2.gz ORDCZCRPDWGLLO-KRTXAFLBSA-N -1 1 374.673 2.465 20 0 FEADMM C[C@H]1C[C@@H](O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487425260 561369680 /nfs/dbraw/zinc/36/96/80/561369680.db2.gz FPBGHZCWJNGYML-DTWKUNHWSA-N -1 1 351.200 2.298 20 0 FEADMM O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(I)c([O-])c1 ZINC000230903555 548762960 /nfs/dbraw/zinc/76/29/60/548762960.db2.gz LRGPLHCTPQVAHT-QWRGUYRKSA-N -1 1 361.179 2.030 20 0 FEADMM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cc(I)ccc1[O-] ZINC000236572979 548767253 /nfs/dbraw/zinc/76/72/53/548767253.db2.gz CQXOFAUBZLMYOK-WCQYABFASA-N -1 1 373.190 2.294 20 0 FEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1 ZINC000240763072 548884490 /nfs/dbraw/zinc/88/44/90/548884490.db2.gz ATKUDYQMBUAWLK-UHFFFAOYSA-N -1 1 373.434 2.338 20 0 FEADMM C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(N)=O ZINC000490078253 561426062 /nfs/dbraw/zinc/42/60/62/561426062.db2.gz GWOHDRLYCHUBPH-VFZGTOFNSA-N -1 1 372.368 2.040 20 0 FEADMM COc1ccccc1C[C@@H](C)N(CC(=O)NCC(=O)[O-])Cc1ccccc1 ZINC000262265083 549803972 /nfs/dbraw/zinc/80/39/72/549803972.db2.gz SYDOECQKBROXSC-MRXNPFEDSA-N -1 1 370.449 2.329 20 0 FEADMM CN(CCC(=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000262612412 549832268 /nfs/dbraw/zinc/83/22/68/549832268.db2.gz CDCJHFHNQBQBBE-QGZVFWFLSA-N -1 1 350.415 2.499 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263278609 549891382 /nfs/dbraw/zinc/89/13/82/549891382.db2.gz SRKFIDLOVKLWTL-CJNGLKHVSA-N -1 1 358.442 2.424 20 0 FEADMM Cc1noc2ncc(NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)cc12 ZINC000263837212 549944210 /nfs/dbraw/zinc/94/42/10/549944210.db2.gz WEZHXOHGRILJAR-UHFFFAOYSA-N -1 1 366.381 2.468 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1c(F)cccc1Cl ZINC000490868499 561439548 /nfs/dbraw/zinc/43/95/48/561439548.db2.gz CRORKLWOPHBNTH-SECBINFHSA-N -1 1 351.765 2.187 20 0 FEADMM C[C@@H]1COCCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268633976 550096655 /nfs/dbraw/zinc/09/66/55/550096655.db2.gz NCEMSUUFMUFZBI-SECBINFHSA-N -1 1 362.304 2.364 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)n[n-]1 ZINC000492212229 561450141 /nfs/dbraw/zinc/45/01/41/561450141.db2.gz YKSLCLHQBOSYEW-UHFFFAOYSA-N -1 1 374.447 2.288 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 ZINC000492212229 561450142 /nfs/dbraw/zinc/45/01/42/561450142.db2.gz YKSLCLHQBOSYEW-UHFFFAOYSA-N -1 1 374.447 2.288 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(Oc3ccccc3)c2)n1 ZINC000492198807 561450223 /nfs/dbraw/zinc/45/02/23/561450223.db2.gz ZQWNUWGLSKXDCW-UHFFFAOYSA-N -1 1 358.379 2.253 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)[n-]1 ZINC000492198807 561450224 /nfs/dbraw/zinc/45/02/24/561450224.db2.gz ZQWNUWGLSKXDCW-UHFFFAOYSA-N -1 1 358.379 2.253 20 0 FEADMM Cc1ncc(S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)s1 ZINC000269981239 550240897 /nfs/dbraw/zinc/24/08/97/550240897.db2.gz NCPUNGGCBQZPMW-GFCCVEGCSA-N -1 1 366.386 2.180 20 0 FEADMM CC[C@@H](NC(=O)c1cncc([O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270078993 550247694 /nfs/dbraw/zinc/24/76/94/550247694.db2.gz DHXSQHKQZKQKDD-QZTJIDSGSA-N -1 1 351.410 2.485 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2ccccc2)c1 ZINC000270309293 550260745 /nfs/dbraw/zinc/26/07/45/550260745.db2.gz YJDITMHQOKYRQV-NSHDSACASA-N -1 1 351.380 2.006 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270666259 550295001 /nfs/dbraw/zinc/29/50/01/550295001.db2.gz PKSYMBVMJHIBNW-MRXNPFEDSA-N -1 1 366.421 2.073 20 0 FEADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cn1 ZINC000494105202 561462594 /nfs/dbraw/zinc/46/25/94/561462594.db2.gz IUOYEJOAZGUOFL-UHFFFAOYSA-N -1 1 357.439 2.193 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](CCSC)C(=O)N(C)C)cc(Cl)c1[O-] ZINC000494195684 561464266 /nfs/dbraw/zinc/46/42/66/561464266.db2.gz QREYFRZIYLCXJF-LBPRGKRZSA-N -1 1 374.890 2.384 20 0 FEADMM C[C@@H](CCO)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271463042 550377419 /nfs/dbraw/zinc/37/74/19/550377419.db2.gz TXUOSONQIBYCPI-QMMMGPOBSA-N -1 1 350.293 2.004 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](CCSC)C(=O)NC)cc(Cl)c1[O-] ZINC000494229160 561465071 /nfs/dbraw/zinc/46/50/71/561465071.db2.gz AIDXKQBVWOURAU-NSHDSACASA-N -1 1 360.863 2.042 20 0 FEADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000271982820 550414999 /nfs/dbraw/zinc/41/49/99/550414999.db2.gz YJMCWWCATKJNNX-OWYVNGRQSA-N -1 1 353.488 2.321 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1Cl ZINC000273808202 550512255 /nfs/dbraw/zinc/51/22/55/550512255.db2.gz UEHWUCDGXKNLKG-GXFFZTMASA-N -1 1 372.874 2.108 20 0 FEADMM COCCC(C)(C)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000274259040 550530166 /nfs/dbraw/zinc/53/01/66/550530166.db2.gz UZCUBXABTUEBHI-UHFFFAOYSA-N -1 1 358.442 2.274 20 0 FEADMM CC(C)(C)c1nnc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cn21 ZINC000274472374 550539305 /nfs/dbraw/zinc/53/93/05/550539305.db2.gz XQURAIUDONGREE-UHFFFAOYSA-N -1 1 353.308 2.416 20 0 FEADMM COc1cc(OC)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c(OC)c1 ZINC000274990889 550570081 /nfs/dbraw/zinc/57/00/81/550570081.db2.gz IFRMWRZDHIXCFG-UHFFFAOYSA-N -1 1 371.386 2.145 20 0 FEADMM CC[C@H](C[C@H](C)CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000494673074 561473894 /nfs/dbraw/zinc/47/38/94/561473894.db2.gz OTWFSPSAHATCHC-SWLSCSKDSA-N -1 1 358.442 2.008 20 0 FEADMM CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2csc(C(=O)OC)c2)n[nH]1 ZINC000276915051 550610483 /nfs/dbraw/zinc/61/04/83/550610483.db2.gz KKPFVFNSRHFLMB-BDAKNGLRSA-N -1 1 372.472 2.206 20 0 FEADMM CCOC1CC(CCNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000276923303 550611661 /nfs/dbraw/zinc/61/16/61/550611661.db2.gz TYTSSBKASAEHPL-UHFFFAOYSA-N -1 1 370.453 2.417 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000277044841 550625574 /nfs/dbraw/zinc/62/55/74/550625574.db2.gz PNCRUGIVOCPJEM-BBRMVZONSA-N -1 1 365.407 2.122 20 0 FEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000277192254 550641888 /nfs/dbraw/zinc/64/18/88/550641888.db2.gz TVQUMUPGTKWZRW-GHMZBOCLSA-N -1 1 360.418 2.355 20 0 FEADMM CNC(=O)c1ccc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2OC)cc1 ZINC000277260091 550648843 /nfs/dbraw/zinc/64/88/43/550648843.db2.gz KRXYBJPQHLWATR-MRXNPFEDSA-N -1 1 372.421 2.369 20 0 FEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1C ZINC000277652035 550696818 /nfs/dbraw/zinc/69/68/18/550696818.db2.gz QZWXSAYALVUBHP-UHFFFAOYSA-N -1 1 360.435 2.399 20 0 FEADMM CCOc1cc(C(=O)NCC2(N3CCOCC3)CC2)cc(Cl)c1[O-] ZINC000277710117 550704933 /nfs/dbraw/zinc/70/49/33/550704933.db2.gz XCZAPGOWGZKCKC-UHFFFAOYSA-N -1 1 354.834 2.039 20 0 FEADMM CS(=O)(=O)[C@H]1CCCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000277758336 550710817 /nfs/dbraw/zinc/71/08/17/550710817.db2.gz QDWWSNRIRKSHEY-NSHDSACASA-N -1 1 365.373 2.450 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(OC)cc3C)CC2)n1 ZINC000277766057 550711478 /nfs/dbraw/zinc/71/14/78/550711478.db2.gz QRYAMPRFJIDUSY-UHFFFAOYSA-N -1 1 372.425 2.318 20 0 FEADMM Cc1cnc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c([O-])c1 ZINC000495139122 561482959 /nfs/dbraw/zinc/48/29/59/561482959.db2.gz OMIHCCJXVNFXJI-MRXNPFEDSA-N -1 1 355.394 2.143 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC(C)(C)O2)c1 ZINC000278728255 550815333 /nfs/dbraw/zinc/81/53/33/550815333.db2.gz HVSXMRKRPHBCCJ-OAHLLOKOSA-N -1 1 370.471 2.319 20 0 FEADMM CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)[C@@H](O)c1ccccc1 ZINC000280397301 550989242 /nfs/dbraw/zinc/98/92/42/550989242.db2.gz IBKIFMRBGIUIDA-HOCLYGCPSA-N -1 1 367.423 2.247 20 0 FEADMM O=S(=O)([N-]CCN1CCCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000280657441 551018102 /nfs/dbraw/zinc/01/81/02/551018102.db2.gz WZTJCDCPXNKMLH-UHFFFAOYSA-N -1 1 371.261 2.133 20 0 FEADMM COc1ccc(NC(=O)C2=C(C)OCCS2)cc1[N-]S(C)(=O)=O ZINC000280752331 551028365 /nfs/dbraw/zinc/02/83/65/551028365.db2.gz KSSSWGRMHCQSRT-UHFFFAOYSA-N -1 1 358.441 2.000 20 0 FEADMM Cc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280976890 551051467 /nfs/dbraw/zinc/05/14/67/551051467.db2.gz MBNNPDILZKINRH-MWLCHTKSSA-N -1 1 355.353 2.486 20 0 FEADMM O=C([N-]CC1CCN(Cc2ncn(-c3ccccc3)n2)CC1)C(F)(F)F ZINC000281185961 551071826 /nfs/dbraw/zinc/07/18/26/551071826.db2.gz BICNLBCVXFLYGX-UHFFFAOYSA-N -1 1 367.375 2.158 20 0 FEADMM c1ccc(-n2c(CN3CCCCC3)nnc2SCc2nn[n-]n2)cc1 ZINC000497180425 561497676 /nfs/dbraw/zinc/49/76/76/561497676.db2.gz MLOLQIBZZRSAAK-UHFFFAOYSA-N -1 1 356.459 2.059 20 0 FEADMM CNC(=O)c1c(C)n[n-]c1NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000281908098 551156375 /nfs/dbraw/zinc/15/63/75/551156375.db2.gz GIBSNCITARONJC-UHFFFAOYSA-N -1 1 360.443 2.402 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@H](C)OC)ccc1Br ZINC000282153336 551187620 /nfs/dbraw/zinc/18/76/20/551187620.db2.gz FXFVDAQBPVUOOC-QMMMGPOBSA-N -1 1 366.233 2.012 20 0 FEADMM Cn1ncc2c1C[C@@H](C(=O)Nc1nc(Br)ccc1[O-])CC2 ZINC000282166021 551189637 /nfs/dbraw/zinc/18/96/37/551189637.db2.gz CJRAGCLCZNHVIV-QMMMGPOBSA-N -1 1 351.204 2.027 20 0 FEADMM O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)NN1CC(=O)[N-]C1=O ZINC000282259158 551202565 /nfs/dbraw/zinc/20/25/65/551202565.db2.gz WOTXMADZQIBEGK-NSHDSACASA-N -1 1 371.422 2.004 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)C2CCN(CC(F)(F)F)CC2)c1 ZINC000282810587 551272800 /nfs/dbraw/zinc/27/28/00/551272800.db2.gz OVXKOZWOZRVSHM-UHFFFAOYSA-N -1 1 360.332 2.392 20 0 FEADMM O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282871551 551280238 /nfs/dbraw/zinc/28/02/38/551280238.db2.gz ILJIEBFYOHTCFQ-SNVBAGLBSA-N -1 1 356.304 2.016 20 0 FEADMM C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282919672 551285263 /nfs/dbraw/zinc/28/52/63/551285263.db2.gz NSLXTYPZDIUCKE-HIFRSBDPSA-N -1 1 366.421 2.425 20 0 FEADMM CCOc1cc(C(=O)NCc2cnn(CCOC)c2)cc(Cl)c1[O-] ZINC000282927625 551286120 /nfs/dbraw/zinc/28/61/20/551286120.db2.gz YZSLPZQNFHTPMD-UHFFFAOYSA-N -1 1 353.806 2.217 20 0 FEADMM Cc1cccc(CN2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)c1 ZINC000282953614 551289407 /nfs/dbraw/zinc/28/94/07/551289407.db2.gz LCIZUGKRQRIZKD-UHFFFAOYSA-N -1 1 367.478 2.284 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282964426 551290484 /nfs/dbraw/zinc/29/04/84/551290484.db2.gz RTJHGUXZSUDDGH-OUAUKWLOSA-N -1 1 364.808 2.400 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)c3ccc(OC4CCOCC4)cc3)ccnc1-2 ZINC000283016309 551298214 /nfs/dbraw/zinc/29/82/14/551298214.db2.gz DYLRONPTTRCJMV-XLNRJJMWSA-N -1 1 352.394 2.152 20 0 FEADMM O=C(c1csc(-c2ccccc2F)n1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283027885 551300149 /nfs/dbraw/zinc/30/01/49/551300149.db2.gz YBZDMPVEKMXYDF-JTQLQIEISA-N -1 1 373.413 2.380 20 0 FEADMM CC(C)[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1nc(C2CC2)no1 ZINC000283115413 551313633 /nfs/dbraw/zinc/31/36/33/551313633.db2.gz QHIGDERNQIPPOZ-GFCCVEGCSA-N -1 1 358.427 2.406 20 0 FEADMM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283163052 551321538 /nfs/dbraw/zinc/32/15/38/551321538.db2.gz GKNGMCRTHXATSH-KGLIPLIRSA-N -1 1 358.442 2.397 20 0 FEADMM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc2n[n-]c(=S)n2c1 ZINC000283416432 551362708 /nfs/dbraw/zinc/36/27/08/551362708.db2.gz LXXUIJDYRUUFFW-OAHLLOKOSA-N -1 1 354.435 2.262 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)C1CCCCC1 ZINC000497934041 561511719 /nfs/dbraw/zinc/51/17/19/561511719.db2.gz JBTAHMFAENYEMT-UHFFFAOYSA-N -1 1 357.476 2.471 20 0 FEADMM CCCOc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1OCC ZINC000283764986 551424093 /nfs/dbraw/zinc/42/40/93/551424093.db2.gz SEOAFGKRRXDBII-AWEZNQCLSA-N -1 1 374.441 2.305 20 0 FEADMM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2F)cn1 ZINC000284419922 551545396 /nfs/dbraw/zinc/54/53/96/551545396.db2.gz VDRLSKJQVMYMCQ-DZGCQCFKSA-N -1 1 373.837 2.411 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000285118355 551707441 /nfs/dbraw/zinc/70/74/41/551707441.db2.gz NBVFRXNJCQDKKP-CQSZACIVSA-N -1 1 361.427 2.257 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccnc(OC(F)F)c1 ZINC000285683862 551794665 /nfs/dbraw/zinc/79/46/65/551794665.db2.gz JURFYWPFXWFOGD-UHFFFAOYSA-N -1 1 356.354 2.139 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N(CCCO)[C@H]3CCc4ccccc43)ccnc1-2 ZINC000287011969 551951667 /nfs/dbraw/zinc/95/16/67/551951667.db2.gz BRVJQRKXGSNKCK-ZVTCDHROSA-N -1 1 365.437 2.246 20 0 FEADMM CCOc1ccc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1OC ZINC000287378036 551996556 /nfs/dbraw/zinc/99/65/56/551996556.db2.gz FHCSBYGVIUFILD-HMAPJEAMSA-N -1 1 355.398 2.071 20 0 FEADMM CN(CCCOc1ccc(F)cc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287549931 552018245 /nfs/dbraw/zinc/01/82/45/552018245.db2.gz JRHWHKZEWZOTPU-JWGURIENSA-N -1 1 357.389 2.414 20 0 FEADMM Cc1cc(C)c(NC(=O)CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c(C)c1 ZINC000287654722 552030698 /nfs/dbraw/zinc/03/06/98/552030698.db2.gz PGKOEUHKLQOEOI-HAHDFKILSA-N -1 1 366.425 2.027 20 0 FEADMM COCCOCCN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287683682 552034074 /nfs/dbraw/zinc/03/40/74/552034074.db2.gz JJNHANNPFGDCPE-UHFFFAOYSA-N -1 1 357.406 2.267 20 0 FEADMM CCOC(=O)[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)Cc1ccccc1 ZINC000287743043 552041171 /nfs/dbraw/zinc/04/11/71/552041171.db2.gz PJDUBGPUFLIVQN-MRXNPFEDSA-N -1 1 355.390 2.113 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C(=O)N(CC(C)(C)C)CC(C)(C)C)ccnc1-2 ZINC000287759428 552043125 /nfs/dbraw/zinc/04/31/25/552043125.db2.gz MAJVLQOZRXTKQN-HMAPJEAMSA-N -1 1 359.474 2.201 20 0 FEADMM CCN(CCCNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000287776677 552045044 /nfs/dbraw/zinc/04/50/44/552045044.db2.gz WJEMFLXNFRNHLB-QJOMJCCJSA-N -1 1 352.442 2.380 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)o1 ZINC000499448855 561551230 /nfs/dbraw/zinc/55/12/30/561551230.db2.gz WRJMZSKGFMKHPU-UHFFFAOYSA-N -1 1 368.459 2.416 20 0 FEADMM COCc1nc(C)cc(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC000288130858 552096589 /nfs/dbraw/zinc/09/65/89/552096589.db2.gz ATXFXOMYFAHMEU-CHIMOYNISA-N -1 1 360.380 2.213 20 0 FEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1 ZINC000288662196 552194142 /nfs/dbraw/zinc/19/41/42/552194142.db2.gz RQSFOXWVKLXECQ-MRVPVSSYSA-N -1 1 355.334 2.101 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1)C(F)(F)F ZINC000289366628 552308034 /nfs/dbraw/zinc/30/80/34/552308034.db2.gz ARYBCQGWUWHVBD-MFKMUULPSA-N -1 1 366.330 2.389 20 0 FEADMM COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289402526 552315572 /nfs/dbraw/zinc/31/55/72/552315572.db2.gz FXRRSGALWKJLGA-CYBMUJFWSA-N -1 1 358.360 2.364 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000289420474 552318349 /nfs/dbraw/zinc/31/83/49/552318349.db2.gz BVZOIELTQUOBKK-MRVPVSSYSA-N -1 1 363.798 2.438 20 0 FEADMM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)Nc1ccc(Cl)cc1Cl ZINC000289422822 552319025 /nfs/dbraw/zinc/31/90/25/552319025.db2.gz MVLIOQYPOPFYKB-SECBINFHSA-N -1 1 370.240 2.223 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C)ccc2NC(C)=O)CCCC1 ZINC000290453366 552481226 /nfs/dbraw/zinc/48/12/26/552481226.db2.gz DLXWEYRAIOXAHP-UHFFFAOYSA-N -1 1 368.455 2.429 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000290858263 552550964 /nfs/dbraw/zinc/55/09/64/552550964.db2.gz ILCUEJPVQJNDOS-SNVBAGLBSA-N -1 1 352.385 2.488 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1)C(F)(F)F ZINC000291069497 552583092 /nfs/dbraw/zinc/58/30/92/552583092.db2.gz IQDVXAWBXJLUTC-LLVKDONJSA-N -1 1 366.343 2.161 20 0 FEADMM CC(=O)c1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000291094742 552586257 /nfs/dbraw/zinc/58/62/57/552586257.db2.gz LCEPDISBAKDBHA-GFCCVEGCSA-N -1 1 356.344 2.420 20 0 FEADMM CC(C)Nc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000291182538 552597009 /nfs/dbraw/zinc/59/70/09/552597009.db2.gz SNSJWHQWXNFCDQ-GFCCVEGCSA-N -1 1 372.391 2.433 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H](CO)C1 ZINC000291422423 552622589 /nfs/dbraw/zinc/62/25/89/552622589.db2.gz KRNIKBGMDRMPJL-SECBINFHSA-N -1 1 351.200 2.157 20 0 FEADMM C[C@@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1ccccn1 ZINC000291708920 552653271 /nfs/dbraw/zinc/65/32/71/552653271.db2.gz PQKCZQFUYALCGE-NQBHXWOUSA-N -1 1 358.364 2.384 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000291890252 552672081 /nfs/dbraw/zinc/67/20/81/552672081.db2.gz IBDVCHWAVFLDAI-KXBFYZLASA-N -1 1 372.446 2.143 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc4c3CN(C)C4)ccc21 ZINC000291934738 552676341 /nfs/dbraw/zinc/67/63/41/552676341.db2.gz XCPDTHCOAWTWJQ-UHFFFAOYSA-N -1 1 371.462 2.342 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000292251879 552709124 /nfs/dbraw/zinc/70/91/24/552709124.db2.gz URBNKTHETFEGHK-JTQLQIEISA-N -1 1 353.835 2.150 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1OCCc2ccccc21 ZINC000292641194 552745765 /nfs/dbraw/zinc/74/57/65/552745765.db2.gz WUAZLVBMNZWXKD-DFBGVHRSSA-N -1 1 370.371 2.358 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000293416952 552821366 /nfs/dbraw/zinc/82/13/66/552821366.db2.gz IJLMYFCSQVGQSX-LLVKDONJSA-N -1 1 363.361 2.105 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C[C@H](O)Cc1ccccc1 ZINC000293928078 552868841 /nfs/dbraw/zinc/86/88/41/552868841.db2.gz FUVNUGMFEWLPBD-OAHLLOKOSA-N -1 1 357.454 2.464 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC2(C1)CCOC2 ZINC000294339824 552898468 /nfs/dbraw/zinc/89/84/68/552898468.db2.gz JRGUKNJLBUEWKQ-UHFFFAOYSA-N -1 1 372.446 2.350 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c(=O)[n-]1 ZINC000294856313 552939010 /nfs/dbraw/zinc/93/90/10/552939010.db2.gz NTIYKJACXCYMFT-CRAIPNDOSA-N -1 1 363.483 2.315 20 0 FEADMM CCn1cc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cn1 ZINC000295258935 552977432 /nfs/dbraw/zinc/97/74/32/552977432.db2.gz XWBNGCIIKNRWPO-SECBINFHSA-N -1 1 354.379 2.250 20 0 FEADMM COc1cccc(N2CC[C@H](NC(=O)c3ccc4n[n-]c(=S)n4c3)C2)c1 ZINC000295283467 552981597 /nfs/dbraw/zinc/98/15/97/552981597.db2.gz PQEMYBQCDRFNBH-ZDUSSCGKSA-N -1 1 369.450 2.035 20 0 FEADMM O=c1[n-]nc([C@@H]2CCCN(C[C@H](O)c3cccc(Br)c3)C2)o1 ZINC000295354399 552992461 /nfs/dbraw/zinc/99/24/61/552992461.db2.gz OAXDJHGGDNBHRD-YPMHNXCESA-N -1 1 368.231 2.038 20 0 FEADMM CN(C)C(=O)O[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000295358965 552993539 /nfs/dbraw/zinc/99/35/39/552993539.db2.gz CLHBXZGTYLNWSL-NSHDSACASA-N -1 1 371.231 2.458 20 0 FEADMM NC(=O)C1(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CC1 ZINC000600964423 553332149 /nfs/dbraw/zinc/33/21/49/553332149.db2.gz KPEJHYYFQCRKOO-UHFFFAOYSA-N -1 1 355.217 2.105 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000298846870 553480540 /nfs/dbraw/zinc/48/05/40/553480540.db2.gz IWVVVDRKSPSNJB-UHFFFAOYSA-N -1 1 366.395 2.376 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c([O-])c1 ZINC000299124932 553518705 /nfs/dbraw/zinc/51/87/05/553518705.db2.gz ATXNSOVRXVMCOT-UHFFFAOYSA-N -1 1 369.421 2.041 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cc(O)cc(OC)c2)cc1 ZINC000504038761 561652310 /nfs/dbraw/zinc/65/23/10/561652310.db2.gz CPVLDTZKQNUSEN-UHFFFAOYSA-N -1 1 353.396 2.227 20 0 FEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1 ZINC000299650490 553596555 /nfs/dbraw/zinc/59/65/55/553596555.db2.gz XARPBQBRNYLIIZ-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCCO1 ZINC000299660096 553598382 /nfs/dbraw/zinc/59/83/82/553598382.db2.gz MZJKTACJDTVLBJ-OAHLLOKOSA-N -1 1 356.426 2.171 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@H]2CCOC2)nc1 ZINC000301773934 553678192 /nfs/dbraw/zinc/67/81/92/553678192.db2.gz MQYNXYSOHTZYFR-NSHDSACASA-N -1 1 355.366 2.361 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000327359823 553787916 /nfs/dbraw/zinc/78/79/16/553787916.db2.gz OEIMGGJDLDMCLP-UHFFFAOYSA-N -1 1 364.379 2.214 20 0 FEADMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505730839 561678687 /nfs/dbraw/zinc/67/86/87/561678687.db2.gz CIVMIKHUJJTJGU-ZWNOBZJWSA-N -1 1 366.439 2.065 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c(C(F)(F)F)n1 ZINC000328855879 553833429 /nfs/dbraw/zinc/83/34/29/553833429.db2.gz UBDAYWFOMVPFLI-NSHDSACASA-N -1 1 367.393 2.067 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000506562852 561702096 /nfs/dbraw/zinc/70/20/96/561702096.db2.gz QGWRLXKHILMFDD-UHFFFAOYSA-N -1 1 374.462 2.352 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329391802 553938010 /nfs/dbraw/zinc/93/80/10/553938010.db2.gz RVGASUGKRVBOSM-TZMCWYRMSA-N -1 1 356.216 2.175 20 0 FEADMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000506619630 561703957 /nfs/dbraw/zinc/70/39/57/561703957.db2.gz XWWOWQKEWITRQH-UHFFFAOYSA-N -1 1 366.414 2.311 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)cc(S(C)(=O)=O)c1 ZINC000507631197 561735938 /nfs/dbraw/zinc/73/59/38/561735938.db2.gz XEMCCGSCNVEBNK-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM O=C(c1ncccc1OCC(F)(F)F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507907545 561745382 /nfs/dbraw/zinc/74/53/82/561745382.db2.gz GOBMEPXBXGVDSZ-SECBINFHSA-N -1 1 372.303 2.131 20 0 FEADMM COc1ccsc1S(=O)(=O)[N-]c1nc(Cc2cccc(F)c2)n[nH]1 ZINC000508067795 561750153 /nfs/dbraw/zinc/75/01/53/561750153.db2.gz LGRPNUWMVAPMNB-UHFFFAOYSA-N -1 1 368.415 2.406 20 0 FEADMM O=S(=O)([N-]c1nc(Cc2cccc(F)c2)n[nH]1)c1ccc2c(c1)COC2 ZINC000508084738 561750870 /nfs/dbraw/zinc/75/08/70/561750870.db2.gz NWVIMQUFBYWWFZ-UHFFFAOYSA-N -1 1 374.397 2.366 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(Br)o1 ZINC000330830956 554176724 /nfs/dbraw/zinc/17/67/24/554176724.db2.gz UMASGHVTAYLDHM-JTQLQIEISA-N -1 1 352.250 2.262 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000508370421 561760141 /nfs/dbraw/zinc/76/01/41/561760141.db2.gz UYSNGSXJXUHLMY-SNVBAGLBSA-N -1 1 362.455 2.148 20 0 FEADMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)o2)no1 ZINC000331280104 554240394 /nfs/dbraw/zinc/24/03/94/554240394.db2.gz QFPCSJPXKPLOEI-UHFFFAOYSA-N -1 1 364.221 2.201 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cc(Cl)c1[O-] ZINC000331288150 554241923 /nfs/dbraw/zinc/24/19/23/554241923.db2.gz UWNWMRJJNFTFQQ-GFCCVEGCSA-N -1 1 354.834 2.431 20 0 FEADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1O ZINC000331759631 554321561 /nfs/dbraw/zinc/32/15/61/554321561.db2.gz BBYAOXLFRLISGF-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM O=C(c1cnc(-c2ccncc2)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509295532 561794013 /nfs/dbraw/zinc/79/40/13/561794013.db2.gz URAFSFPSQAAYPG-UHFFFAOYSA-N -1 1 357.395 2.314 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)[C@H](O)C3)cc2)cc1 ZINC000509310072 561794578 /nfs/dbraw/zinc/79/45/78/561794578.db2.gz JVGJORHVWZALKM-RDTXWAMCSA-N -1 1 374.462 2.249 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c([O-])c1 ZINC000331939578 554349265 /nfs/dbraw/zinc/34/92/65/554349265.db2.gz GFNKSZXERJDXNQ-UHFFFAOYSA-N -1 1 368.437 2.105 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1C ZINC000332255816 554411576 /nfs/dbraw/zinc/41/15/76/554411576.db2.gz TZWJTNNUCAUQMG-SNVBAGLBSA-N -1 1 362.455 2.379 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(-c2nccs2)c1 ZINC000509928272 561818775 /nfs/dbraw/zinc/81/87/75/561818775.db2.gz RSMUVENGOSNFNN-UHFFFAOYSA-N -1 1 354.391 2.279 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](C)CCO ZINC000509932244 561818997 /nfs/dbraw/zinc/81/89/97/561818997.db2.gz SZGPUANMVNTFHB-QMMMGPOBSA-N -1 1 370.254 2.077 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc2oc(C3CC3)nc2c1 ZINC000509989033 561821081 /nfs/dbraw/zinc/82/10/81/561821081.db2.gz AHWSNCDGHWTHMJ-UHFFFAOYSA-N -1 1 352.350 2.174 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnn(C)c2Cc2ccccc2)n1 ZINC000509988053 561821095 /nfs/dbraw/zinc/82/10/95/561821095.db2.gz VFBPSNQRWGQGCC-UHFFFAOYSA-N -1 1 353.382 2.163 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1OC(F)(F)F ZINC000510003291 561821509 /nfs/dbraw/zinc/82/15/09/561821509.db2.gz UBIFOIIWLOQQAI-UHFFFAOYSA-N -1 1 355.272 2.054 20 0 FEADMM CC(C)(C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1)c1ccccc1 ZINC000332539715 554467247 /nfs/dbraw/zinc/46/72/47/554467247.db2.gz BOOAVEKWGIMPFE-UHFFFAOYSA-N -1 1 353.422 2.049 20 0 FEADMM COc1ccc(-c2n[n-]c(=NC(=O)N3CCN(C)[C@@H](C)[C@H]3C)s2)cc1 ZINC000332661693 554492701 /nfs/dbraw/zinc/49/27/01/554492701.db2.gz ODMRVCUTQAIFTF-NWDGAFQWSA-N -1 1 361.471 2.770 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2coc(C3CCOCC3)n2)s1 ZINC000510415831 561833878 /nfs/dbraw/zinc/83/38/78/561833878.db2.gz WCFVTRSGTZTKHS-UHFFFAOYSA-N -1 1 360.399 2.371 20 0 FEADMM CCC1(O)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000510539413 561838092 /nfs/dbraw/zinc/83/80/92/561838092.db2.gz QZNFLEDXDHVAGS-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@H](C)OC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510557554 561838886 /nfs/dbraw/zinc/83/88/86/561838886.db2.gz FUWMIASARQFDIF-NHYWBVRUSA-N -1 1 363.863 2.073 20 0 FEADMM O=C(c1nc[n-]c1-c1nc([C@H]2CC(=O)N(C3CC3)C2)no1)c1ccccc1 ZINC000350071467 554758584 /nfs/dbraw/zinc/75/85/84/554758584.db2.gz UETCWMIZYAFPNW-LBPRGKRZSA-N -1 1 363.377 2.169 20 0 FEADMM O=C(Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)Nc1ccccn1 ZINC000350226586 554770110 /nfs/dbraw/zinc/77/01/10/554770110.db2.gz FQSIWNOARWFJPR-UHFFFAOYSA-N -1 1 374.360 2.267 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(Cc2cncs2)no1 ZINC000350473523 554791094 /nfs/dbraw/zinc/79/10/94/554791094.db2.gz CVPMLESYZFRSTQ-UHFFFAOYSA-N -1 1 366.406 2.161 20 0 FEADMM CCc1ccnc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000350480191 554791586 /nfs/dbraw/zinc/79/15/86/554791586.db2.gz LNLLROLGGDCIKO-UHFFFAOYSA-N -1 1 350.425 2.234 20 0 FEADMM CCn1nncc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000350563757 554797752 /nfs/dbraw/zinc/79/77/52/554797752.db2.gz BAOWIWRTFNMSNV-UHFFFAOYSA-N -1 1 366.175 2.492 20 0 FEADMM Cc1oc(S(N)(=O)=O)cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350565808 554797986 /nfs/dbraw/zinc/79/79/86/554797986.db2.gz IIQMPJZZMRCKBW-UHFFFAOYSA-N -1 1 355.759 2.311 20 0 FEADMM C[C@@]1(c2ccc(-c3noc(-c4cc(F)ccc4[O-])n3)cc2)NC(=O)NC1=O ZINC000350574739 554798974 /nfs/dbraw/zinc/79/89/74/554798974.db2.gz FJWGHBDYGAAULJ-SFHVURJKSA-N -1 1 368.324 2.303 20 0 FEADMM Cc1noc(C)c1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000351171966 554840662 /nfs/dbraw/zinc/84/06/62/554840662.db2.gz OABFGEDSUNPVOK-QMMMGPOBSA-N -1 1 354.413 2.442 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000360128359 554863454 /nfs/dbraw/zinc/86/34/54/554863454.db2.gz GGFYCSTZMWXPGX-DLBZAZTESA-N -1 1 368.437 2.265 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(CSC)cc2)c1 ZINC000511415033 561868386 /nfs/dbraw/zinc/86/83/86/561868386.db2.gz ZMGNMNQWHGJTAU-UHFFFAOYSA-N -1 1 355.437 2.408 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)c1ccccn1 ZINC000361693766 554929348 /nfs/dbraw/zinc/92/93/48/554929348.db2.gz JOJKPWMKSFSVRQ-UHFFFAOYSA-N -1 1 359.813 2.475 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC(OC4CCOCC4)CC3)cnc2n1 ZINC000363058220 555020550 /nfs/dbraw/zinc/02/05/50/555020550.db2.gz ZDLZDFFYWQCQTQ-UHFFFAOYSA-N -1 1 371.437 2.444 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(OC3CCOCC3)CC1)c2=O ZINC000363058220 555020552 /nfs/dbraw/zinc/02/05/52/555020552.db2.gz ZDLZDFFYWQCQTQ-UHFFFAOYSA-N -1 1 371.437 2.444 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)co1 ZINC000363168411 555044358 /nfs/dbraw/zinc/04/43/58/555044358.db2.gz XYIDBNJGNYHSKM-QGZVFWFLSA-N -1 1 371.418 2.102 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCOC1 ZINC000511823087 561881695 /nfs/dbraw/zinc/88/16/95/561881695.db2.gz QDFKXWGJRSBGRE-UHFFFAOYSA-N -1 1 364.398 2.447 20 0 FEADMM CN1C(=O)C[C@@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)[C@@H]1c1ccccc1 ZINC000363340738 555081233 /nfs/dbraw/zinc/08/12/33/555081233.db2.gz XKRXNTBSRGIVBN-CJNGLKHVSA-N -1 1 362.393 2.025 20 0 FEADMM Cc1c(C(=O)Nc2ccncc2[O-])nnn1-c1cccc(Br)c1 ZINC000511982188 561887824 /nfs/dbraw/zinc/88/78/24/561887824.db2.gz HYBKFFFDMNJXST-UHFFFAOYSA-N -1 1 374.198 2.113 20 0 FEADMM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512081939 561891513 /nfs/dbraw/zinc/89/15/13/561891513.db2.gz LKPIEUIGWLPWDH-BEFAXECRSA-N -1 1 352.394 2.143 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc(Cl)c1[O-] ZINC000363999769 555230585 /nfs/dbraw/zinc/23/05/85/555230585.db2.gz JLGLMMPGBYSFPJ-NDMJEZRESA-N -1 1 352.818 2.183 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)sc1C(=O)[O-] ZINC000364117685 555253018 /nfs/dbraw/zinc/25/30/18/555253018.db2.gz AYHRZZHMRRUZMH-LLVKDONJSA-N -1 1 358.485 2.050 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)sc1C(=O)[O-] ZINC000364117685 555253020 /nfs/dbraw/zinc/25/30/20/555253020.db2.gz AYHRZZHMRRUZMH-LLVKDONJSA-N -1 1 358.485 2.050 20 0 FEADMM CN1CCN(CCN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000531387082 562444331 /nfs/dbraw/zinc/44/43/31/562444331.db2.gz GINACBPQEVALGM-UHFFFAOYSA-N -1 1 356.257 2.125 20 0 FEADMM COCCCn1nc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)ccc1=O ZINC000616811898 555341862 /nfs/dbraw/zinc/34/18/62/555341862.db2.gz YRJJTEOEADCTTR-UHFFFAOYSA-N -1 1 373.438 2.292 20 0 FEADMM CCc1nnc2ccc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)nn21 ZINC000364900950 555431609 /nfs/dbraw/zinc/43/16/09/555431609.db2.gz PPLFZBSWIVTSSO-UHFFFAOYSA-N -1 1 351.410 2.492 20 0 FEADMM Cn1cc([C@H]2[C@H](CN=c3[n-]nc(C(F)(F)F)s3)CCCN2C)cn1 ZINC000364904424 555432029 /nfs/dbraw/zinc/43/20/29/555432029.db2.gz HOPXVYOITQSUIS-GXSJLCMTSA-N -1 1 360.409 2.785 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@@H](COC(C)C)C3)nc2)[n-]c(=O)c1C ZINC000364910132 555434020 /nfs/dbraw/zinc/43/40/20/555434020.db2.gz QBNXZPIPSAHJKI-MRXNPFEDSA-N -1 1 358.442 2.491 20 0 FEADMM CO[C@H]1CC[C@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000365072395 555478837 /nfs/dbraw/zinc/47/88/37/555478837.db2.gz RGTWTZUNHMNRRN-GJZGRUSLSA-N -1 1 356.426 2.169 20 0 FEADMM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1=O ZINC000513477453 561939823 /nfs/dbraw/zinc/93/98/23/561939823.db2.gz SFQVXJCPDDERDX-SJKOYZFVSA-N -1 1 357.385 2.408 20 0 FEADMM O=C(N[C@H]1CCc2nc[nH]c2C1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000366062553 555740597 /nfs/dbraw/zinc/74/05/97/555740597.db2.gz WCDBONIGBWQWQU-NSHDSACASA-N -1 1 357.801 2.242 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c1 ZINC000513796925 561950387 /nfs/dbraw/zinc/95/03/87/561950387.db2.gz CGXGZYXFOITFMZ-UHFFFAOYSA-N -1 1 361.778 2.380 20 0 FEADMM COC(=O)c1ccc(=NC(=O)NC[C@H](c2ccco2)N2CCCCC2)[n-]n1 ZINC000619634728 555815325 /nfs/dbraw/zinc/81/53/25/555815325.db2.gz MJNROLONEUNITH-CQSZACIVSA-N -1 1 373.413 2.205 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1-c1ccncc1 ZINC000366733823 555920914 /nfs/dbraw/zinc/92/09/14/555920914.db2.gz BUQVPEZWFPUFBM-UHFFFAOYSA-N -1 1 370.394 2.163 20 0 FEADMM O=C1CC[C@H](N=c2nc(C(Cl)(Cl)Cl)[n-]s2)[C@@H](C2CC2)N1 ZINC000367419257 556043175 /nfs/dbraw/zinc/04/31/75/556043175.db2.gz NAMMVWFTKPGJBN-POYBYMJQSA-N -1 1 355.678 2.256 20 0 FEADMM COc1cccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)c1 ZINC000367723110 556123601 /nfs/dbraw/zinc/12/36/01/556123601.db2.gz RTMMTYHSCNSWKV-IINYFYTJSA-N -1 1 351.428 2.346 20 0 FEADMM COCCCO[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000367743014 556127856 /nfs/dbraw/zinc/12/78/56/556127856.db2.gz YGJNLNHWUYVUDJ-ZBFHGGJFSA-N -1 1 354.834 2.334 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@H]3CC[C@@H](c4ccccc4)O3)ccnc1-2 ZINC000368124981 556224919 /nfs/dbraw/zinc/22/49/19/556224919.db2.gz JMGGVMUKUXQQNV-VHWIGMFKSA-N -1 1 351.410 2.384 20 0 FEADMM Cn1cc([C@H]2[C@H](CN=c3[n-]nc(-c4ccccn4)s3)CCCN2C)cn1 ZINC000368180796 556240211 /nfs/dbraw/zinc/24/02/11/556240211.db2.gz PPBLQOCFJNEWTJ-XJKSGUPXSA-N -1 1 369.498 2.829 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)n1 ZINC000368437906 556309323 /nfs/dbraw/zinc/30/93/23/556309323.db2.gz HWHUOJWTJULQKD-GFCCVEGCSA-N -1 1 372.429 2.027 20 0 FEADMM Cc1ccc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cn1 ZINC000368503822 556329289 /nfs/dbraw/zinc/32/92/89/556329289.db2.gz RNYZTSGPOCFOMP-OAHLLOKOSA-N -1 1 360.780 2.144 20 0 FEADMM O=C(c1ccco1)N1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000368567204 556347771 /nfs/dbraw/zinc/34/77/71/556347771.db2.gz LUMRBNOEWAJYTL-UHFFFAOYSA-N -1 1 350.321 2.252 20 0 FEADMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C(N)=O)c3)c2)n1 ZINC000515630091 562017656 /nfs/dbraw/zinc/01/76/56/562017656.db2.gz WXZNPDFIUNAOLA-UHFFFAOYSA-N -1 1 372.406 2.253 20 0 FEADMM Cc1onc(-c2ccccc2C)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000369145539 556516362 /nfs/dbraw/zinc/51/63/62/556516362.db2.gz RTXUYROXNFCZBJ-CYBMUJFWSA-N -1 1 352.398 2.491 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)co1 ZINC000369549194 556628526 /nfs/dbraw/zinc/62/85/26/556628526.db2.gz XDHZLBZQYHGBFX-DGCLKSJQSA-N -1 1 366.414 2.393 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)ccc1Cl ZINC000516827500 562059625 /nfs/dbraw/zinc/05/96/25/562059625.db2.gz UCRJEVYXUUBWRK-UHFFFAOYSA-N -1 1 367.814 2.198 20 0 FEADMM O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370852829 556991319 /nfs/dbraw/zinc/99/13/19/556991319.db2.gz PJTDIHXMJRLIOT-INIZCTEOSA-N -1 1 371.347 2.359 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(c2ccccn2)CC1 ZINC000371323586 557146657 /nfs/dbraw/zinc/14/66/57/557146657.db2.gz PECBCOCUIFAQOE-UHFFFAOYSA-N -1 1 365.437 2.395 20 0 FEADMM NC(=O)[C@H]1c2ccccc2CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000371520119 557208613 /nfs/dbraw/zinc/20/86/13/557208613.db2.gz QFYLMXKSAMBKSF-LJQANCHMSA-N -1 1 350.374 2.083 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)o1 ZINC000517412936 562089654 /nfs/dbraw/zinc/08/96/54/562089654.db2.gz NXRPTPOBOKTJNS-UHFFFAOYSA-N -1 1 359.787 2.077 20 0 FEADMM Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cn1 ZINC000518411791 562110959 /nfs/dbraw/zinc/11/09/59/562110959.db2.gz JLFVLRWJXCIKDA-UHFFFAOYSA-N -1 1 365.455 2.032 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2ccc(O)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000372031644 557361701 /nfs/dbraw/zinc/36/17/01/557361701.db2.gz COMTWPLNHHRROK-CXAGYDPISA-N -1 1 352.862 2.157 20 0 FEADMM Cc1ccnc([C@H]2CCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)C2)c1 ZINC000518794974 562118690 /nfs/dbraw/zinc/11/86/90/562118690.db2.gz UKKOXHQRLHUQPW-HNNXBMFYSA-N -1 1 365.437 2.314 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000372152573 557393903 /nfs/dbraw/zinc/39/39/03/557393903.db2.gz KESHLGNOJOLKLX-GOSISDBHSA-N -1 1 357.435 2.484 20 0 FEADMM O=C(NC[C@@H](O)C1CCOCC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000519187145 562126856 /nfs/dbraw/zinc/12/68/56/562126856.db2.gz OKFIYWOSTCNLPD-CQSZACIVSA-N -1 1 350.802 2.111 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1F ZINC000519319741 562129162 /nfs/dbraw/zinc/12/91/62/562129162.db2.gz VJMFKYSKXSERRW-UHFFFAOYSA-N -1 1 373.427 2.180 20 0 FEADMM O=S(=O)([N-][C@H](c1nc[nH]n1)c1ccccc1)c1cc(F)ccc1F ZINC000372594017 557515445 /nfs/dbraw/zinc/51/54/45/557515445.db2.gz MGYRGUJEGMQGDF-AWEZNQCLSA-N -1 1 350.350 2.151 20 0 FEADMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2cccc(F)c2)[C@@H]1O ZINC000519590051 562136196 /nfs/dbraw/zinc/13/61/96/562136196.db2.gz ZQVFANFACWYDAW-OCCSQVGLSA-N -1 1 357.428 2.439 20 0 FEADMM C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000373062771 557619744 /nfs/dbraw/zinc/61/97/44/557619744.db2.gz HFAMGEVFNISIGY-CQSZACIVSA-N -1 1 358.438 2.072 20 0 FEADMM O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000373317595 557671608 /nfs/dbraw/zinc/67/16/08/557671608.db2.gz JXHSBCZUOGWMCL-JMJZKYOTSA-N -1 1 351.332 2.127 20 0 FEADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000520308036 562153126 /nfs/dbraw/zinc/15/31/26/562153126.db2.gz YLSXFLPSFRMGQG-QFIPXVFZSA-N -1 1 352.393 2.072 20 0 FEADMM Cc1ccc(-c2cnccn2)cc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000373508263 557707656 /nfs/dbraw/zinc/70/76/56/557707656.db2.gz FUCNLMAHHRNBPZ-UHFFFAOYSA-N -1 1 368.418 2.352 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000373739090 557748871 /nfs/dbraw/zinc/74/88/71/557748871.db2.gz ZFPBQHSCHPJAOB-HXPMCKFVSA-N -1 1 363.458 2.198 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3OC)CC2)o1 ZINC000520776757 562163445 /nfs/dbraw/zinc/16/34/45/562163445.db2.gz TXXJHGGFKIKWPP-UHFFFAOYSA-N -1 1 365.407 2.085 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 ZINC000374463963 557887336 /nfs/dbraw/zinc/88/73/36/557887336.db2.gz BMKNJAJZLMGOJI-ZDUSSCGKSA-N -1 1 358.350 2.015 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C)c1 ZINC000374473248 557888582 /nfs/dbraw/zinc/88/85/82/557888582.db2.gz VNZXCIVPRXLQGF-ZLDLUXBVSA-N -1 1 360.410 2.154 20 0 FEADMM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c[n-]c3[nH+]c(C)ccc3c1=O)C2 ZINC000374659114 557913124 /nfs/dbraw/zinc/91/31/24/557913124.db2.gz CXINOVCPTNRVQH-BUXKBTBVSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c[n-]c3nc(C)ccc3c1=O)C2 ZINC000374659114 557913126 /nfs/dbraw/zinc/91/31/26/557913126.db2.gz CXINOVCPTNRVQH-BUXKBTBVSA-N -1 1 355.394 2.059 20 0 FEADMM CC(=O)N1CC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000521271361 562173345 /nfs/dbraw/zinc/17/33/45/562173345.db2.gz GYFCUANBLCYVPZ-UHFFFAOYSA-N -1 1 357.646 2.156 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CC(=O)c2cc(Cl)ccc2O1 ZINC000375355932 558014390 /nfs/dbraw/zinc/01/43/90/558014390.db2.gz LSJHXHLPXBTXIY-VIFPVBQESA-N -1 1 360.679 2.449 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)cc1 ZINC000521527574 562178113 /nfs/dbraw/zinc/17/81/13/562178113.db2.gz WSZGGSJXVKUEFQ-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM CC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376062288 558121536 /nfs/dbraw/zinc/12/15/36/558121536.db2.gz QJPIUUYMUKTMFS-GOSISDBHSA-N -1 1 358.438 2.215 20 0 FEADMM CC(C)(C)CC(=O)N1CC[C@H]2CN(CC(=O)[N-]OCc3ccccc3)C[C@H]21 ZINC000376501229 558181571 /nfs/dbraw/zinc/18/15/71/558181571.db2.gz OJSQVOZGNZOVTA-ZWKOTPCHSA-N -1 1 373.497 2.203 20 0 FEADMM NC(=O)c1ccc2[nH]cc(C3CCN(C(=O)c4ncccc4[O-])CC3)c2c1 ZINC000376506424 558182497 /nfs/dbraw/zinc/18/24/97/558182497.db2.gz PUGRJBVNBMYFES-UHFFFAOYSA-N -1 1 364.405 2.387 20 0 FEADMM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3sccc3C)C2=O)c1 ZINC000376763106 558218608 /nfs/dbraw/zinc/21/86/08/558218608.db2.gz CBFPZTPJBVDKAB-KRWDZBQOSA-N -1 1 359.407 2.177 20 0 FEADMM CSC[C@@H]1CCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000376792838 558221893 /nfs/dbraw/zinc/22/18/93/558221893.db2.gz ZDAGNHHBCLNRRO-AWEZNQCLSA-N -1 1 358.467 2.037 20 0 FEADMM C[C@H](c1nc(-c2cccc(F)c2)no1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000376941272 558242093 /nfs/dbraw/zinc/24/20/93/558242093.db2.gz NHAWUQUWBGVSAU-MRVPVSSYSA-N -1 1 363.374 2.406 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1 ZINC000522359639 562197428 /nfs/dbraw/zinc/19/74/28/562197428.db2.gz IBDATMFQWXIPBM-HSZRJFAPSA-N -1 1 367.448 2.153 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000377825751 558427934 /nfs/dbraw/zinc/42/79/34/558427934.db2.gz FGIDKXSKKSZFHY-CYBMUJFWSA-N -1 1 368.459 2.173 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000377825752 558428138 /nfs/dbraw/zinc/42/81/38/558428138.db2.gz FGIDKXSKKSZFHY-ZDUSSCGKSA-N -1 1 368.459 2.173 20 0 FEADMM CC(C)(C)c1cc(C(=O)[N-]c2ncn(CC(=O)N3CCCCCC3)n2)no1 ZINC000377851466 558434958 /nfs/dbraw/zinc/43/49/58/558434958.db2.gz ULPZNGZGUVCMSE-UHFFFAOYSA-N -1 1 374.445 2.219 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(NC(=O)C2CCC2)CC1 ZINC000377952497 558450498 /nfs/dbraw/zinc/45/04/98/558450498.db2.gz IJFQLHUUPPZTDX-UHFFFAOYSA-N -1 1 374.485 2.309 20 0 FEADMM Cc1c(C(=O)NC2(c3nn[n-]n3)CCCC2)cnn1-c1ccc(F)cc1F ZINC000522930161 562206190 /nfs/dbraw/zinc/20/61/90/562206190.db2.gz TYRLIWBSRVOYTA-UHFFFAOYSA-N -1 1 373.367 2.171 20 0 FEADMM O=C(Cc1ccc(F)c(Br)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000522931953 562206272 /nfs/dbraw/zinc/20/62/72/562206272.db2.gz COWMEOQXBKLUDX-UHFFFAOYSA-N -1 1 368.210 2.230 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1C(=O)[O-] ZINC000378354688 558537250 /nfs/dbraw/zinc/53/72/50/558537250.db2.gz KPFWKUSKTHNHSV-UHFFFAOYSA-N -1 1 360.395 2.397 20 0 FEADMM O=C(N[C@@H]1CC12CCOCC2)c1cc(I)ccc1[O-] ZINC000387035381 558607499 /nfs/dbraw/zinc/60/74/99/558607499.db2.gz QSZSPNPICKGSAZ-GFCCVEGCSA-N -1 1 373.190 2.296 20 0 FEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)C2=O ZINC000393102064 558620518 /nfs/dbraw/zinc/62/05/18/558620518.db2.gz CMGMVOCZJKLGRJ-UHFFFAOYSA-N -1 1 362.382 2.469 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2Br)cc1F ZINC000394060593 558621814 /nfs/dbraw/zinc/62/18/14/558621814.db2.gz XKVFLWLHAHHNOT-UHFFFAOYSA-N -1 1 350.169 2.121 20 0 FEADMM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000408403019 558673977 /nfs/dbraw/zinc/67/39/77/558673977.db2.gz KJWGUEUKYYHZST-VIFPVBQESA-N -1 1 355.218 2.032 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)[C@@H]1CCCOC1 ZINC000409510059 558699181 /nfs/dbraw/zinc/69/91/81/558699181.db2.gz ACTKMRBWMKHOCW-SJORKVTESA-N -1 1 369.483 2.081 20 0 FEADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(-c3nncn3C)ccn2)c1 ZINC000410323504 558751240 /nfs/dbraw/zinc/75/12/40/558751240.db2.gz NNTGGTAKHHMCAH-UHFFFAOYSA-N -1 1 357.439 2.436 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410396728 558755125 /nfs/dbraw/zinc/75/51/25/558755125.db2.gz WEBDVJXLMZLSOU-UHFFFAOYSA-N -1 1 364.761 2.209 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c1 ZINC000410417480 558756331 /nfs/dbraw/zinc/75/63/31/558756331.db2.gz KJHWUAJZVKJZSO-UHFFFAOYSA-N -1 1 374.418 2.401 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC(C1CC1)C1CC1 ZINC000525218372 562243355 /nfs/dbraw/zinc/24/33/55/562243355.db2.gz VLQQDIYLJRDSKK-UHFFFAOYSA-N -1 1 352.438 2.235 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000528494866 562332211 /nfs/dbraw/zinc/33/22/11/562332211.db2.gz XYBLTKSXXLSVMP-GHMZBOCLSA-N -1 1 373.780 2.177 20 0 FEADMM Cc1ccc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c2ccccc12 ZINC000412165783 559017771 /nfs/dbraw/zinc/01/77/71/559017771.db2.gz FGYZKFUARACVLO-UHFFFAOYSA-N -1 1 353.451 2.544 20 0 FEADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000412209608 559020011 /nfs/dbraw/zinc/02/00/11/559020011.db2.gz CGRLMDZZIMRZHQ-NSHDSACASA-N -1 1 355.851 2.813 20 0 FEADMM COC(=O)[C@H]1CSCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000412945890 559066165 /nfs/dbraw/zinc/06/61/65/559066165.db2.gz AXPOZUJQOOSAME-SECBINFHSA-N -1 1 363.357 2.389 20 0 FEADMM CCNC(=O)c1ccc(=NCC2(c3ccccc3C)CCOCC2)[n-]n1 ZINC000413074264 559075467 /nfs/dbraw/zinc/07/54/67/559075467.db2.gz NYPYBAIABREEFP-UHFFFAOYSA-N -1 1 354.454 2.695 20 0 FEADMM CCOc1cc(CCCN=c2ccc(C(=O)N(C)C)n[n-]2)ccc1OC ZINC000413154647 559083564 /nfs/dbraw/zinc/08/35/64/559083564.db2.gz KSJOQRTVAWLLFZ-UHFFFAOYSA-N -1 1 358.442 2.630 20 0 FEADMM CCNC(=O)c1ccc(=NCCCc2ccc(OC)c(OCC)c2)[n-]n1 ZINC000413154286 559083654 /nfs/dbraw/zinc/08/36/54/559083654.db2.gz JLTABJIBLCASJP-UHFFFAOYSA-N -1 1 358.442 2.678 20 0 FEADMM COc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cnn1C ZINC000413722123 559126907 /nfs/dbraw/zinc/12/69/07/559126907.db2.gz FCZQUTNYOVZLHS-UHFFFAOYSA-N -1 1 372.425 2.449 20 0 FEADMM COc1ccc(NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000413779568 559129962 /nfs/dbraw/zinc/12/99/62/559129962.db2.gz UPLMXHPJIZMBJE-UTUOFQBUSA-N -1 1 371.459 2.002 20 0 FEADMM COc1ccc(NC(=O)N[C@@H](C)C2(OC)CCC2)cc1[N-]S(C)(=O)=O ZINC000413796120 559130785 /nfs/dbraw/zinc/13/07/85/559130785.db2.gz GCASMTDNEOETLJ-NSHDSACASA-N -1 1 371.459 2.146 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000415630178 559256483 /nfs/dbraw/zinc/25/64/83/559256483.db2.gz CKVVOQMOKHXNJA-UHFFFAOYSA-N -1 1 357.414 2.470 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000416165852 559295668 /nfs/dbraw/zinc/29/56/68/559295668.db2.gz IKWKMKCZVZUWQT-ZWNOBZJWSA-N -1 1 361.423 2.215 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000416239064 559300450 /nfs/dbraw/zinc/30/04/50/559300450.db2.gz GXEWXHQJGMAVCU-BFHYXJOUSA-N -1 1 355.394 2.305 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3F)cn21 ZINC000416406537 559310535 /nfs/dbraw/zinc/31/05/35/559310535.db2.gz FXNFKTQXFUUGRL-VIFPVBQESA-N -1 1 353.375 2.419 20 0 FEADMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cccc(F)c2F)cc1C ZINC000416521129 559319628 /nfs/dbraw/zinc/31/96/28/559319628.db2.gz YNIHAKQUFBHGSZ-AWEZNQCLSA-N -1 1 355.406 2.464 20 0 FEADMM CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000416627607 559326125 /nfs/dbraw/zinc/32/61/25/559326125.db2.gz WGKFOKILFBOMEA-ZETCQYMHSA-N -1 1 357.234 2.324 20 0 FEADMM COC[C@@](C)(NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417576816 559367426 /nfs/dbraw/zinc/36/74/26/559367426.db2.gz IBJJGGPOSFTQKM-GFCCVEGCSA-N -1 1 367.158 2.010 20 0 FEADMM COC(=O)c1cc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2OC)c[nH]1 ZINC000417582877 559367716 /nfs/dbraw/zinc/36/77/16/559367716.db2.gz KBXMTMXOFNNVLZ-ZDUSSCGKSA-N -1 1 362.382 2.124 20 0 FEADMM CN(C)C(=O)NCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418904197 559421591 /nfs/dbraw/zinc/42/15/91/559421591.db2.gz SWCXQNBQXWNHNI-UHFFFAOYSA-N -1 1 361.187 2.608 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@H]3CC34CC4)c2)n1 ZINC000419561862 559447933 /nfs/dbraw/zinc/44/79/33/559447933.db2.gz TYATXSUUGTWYFV-CQSZACIVSA-N -1 1 369.425 2.248 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1F ZINC000421164145 559527974 /nfs/dbraw/zinc/52/79/74/559527974.db2.gz JMOINEMGKUZNLD-CYBMUJFWSA-N -1 1 360.451 2.330 20 0 FEADMM CC[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC000421664842 559548890 /nfs/dbraw/zinc/54/88/90/559548890.db2.gz RMUVZOLWGAIPEW-RYUDHWBXSA-N -1 1 358.460 2.044 20 0 FEADMM COC1([C@H](C)NC(=O)c2cc(Br)ccc2[O-])CCOCC1 ZINC000421729267 559551009 /nfs/dbraw/zinc/55/10/09/559551009.db2.gz NILNMHDRTAUALH-JTQLQIEISA-N -1 1 358.232 2.469 20 0 FEADMM CCCN1C[C@@H](CNC(=O)c2ccc(Br)cc2[O-])CC1=O ZINC000421920799 559556634 /nfs/dbraw/zinc/55/66/34/559556634.db2.gz POHPPTVCXJFOAW-SNVBAGLBSA-N -1 1 355.232 2.143 20 0 FEADMM C[C@@H]1CC[C@H](O)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000422017024 559560933 /nfs/dbraw/zinc/56/09/33/559560933.db2.gz PHGWJDQXXMUETR-PBHICJAKSA-N -1 1 374.462 2.473 20 0 FEADMM Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000422683633 559602581 /nfs/dbraw/zinc/60/25/81/559602581.db2.gz MUNBZMIVMSHNCW-GFCCVEGCSA-N -1 1 360.414 2.206 20 0 FEADMM Cc1noc([C@H]2C[C@@H](O)CN2c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)n1 ZINC000424082808 559654150 /nfs/dbraw/zinc/65/41/50/559654150.db2.gz BWICINQIPYEJKZ-APHBMKBZSA-N -1 1 366.425 2.653 20 0 FEADMM CC(C)C[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC000424396481 559662966 /nfs/dbraw/zinc/66/29/66/559662966.db2.gz XDPQYFRZLZEVRI-SECBINFHSA-N -1 1 369.361 2.436 20 0 FEADMM COc1cccc(S([O-])=CC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000424576211 559669886 /nfs/dbraw/zinc/66/98/86/559669886.db2.gz MIDGUBPPQFFXRV-FYSMJZIKSA-N -1 1 366.508 2.283 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c(F)c1 ZINC000425196217 559690426 /nfs/dbraw/zinc/69/04/26/559690426.db2.gz WPVALPFPLUWFHY-UHFFFAOYSA-N -1 1 357.260 2.154 20 0 FEADMM C[C@@H](N=c1ccc(N2CCN(c3cnccn3)CC2)n[n-]1)c1ccccc1 ZINC000425210453 559691444 /nfs/dbraw/zinc/69/14/44/559691444.db2.gz RDZVPHUKLAMUJV-MRXNPFEDSA-N -1 1 361.453 2.766 20 0 FEADMM Cc1nc(C)n(C2CN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)C2)n1 ZINC000425292981 559694903 /nfs/dbraw/zinc/69/49/03/559694903.db2.gz JTNVSOIBZBZFLD-UHFFFAOYSA-N -1 1 357.801 2.499 20 0 FEADMM O=C(C[C@H](c1ncc[nH]1)c1ccccc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425295026 559695267 /nfs/dbraw/zinc/69/52/67/559695267.db2.gz FFTANKXWOSRSBU-GJZGRUSLSA-N -1 1 367.409 2.427 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCSc1ccccn1 ZINC000425294354 559695306 /nfs/dbraw/zinc/69/53/06/559695306.db2.gz FUAXCGXFHZQYHR-UHFFFAOYSA-N -1 1 371.466 2.288 20 0 FEADMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317324 559696381 /nfs/dbraw/zinc/69/63/81/559696381.db2.gz FLTATMBSYOJNHE-UHFFFAOYSA-N -1 1 370.409 2.072 20 0 FEADMM O=C(COc1ccc(Cl)c(F)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425319902 559696553 /nfs/dbraw/zinc/69/65/53/559696553.db2.gz KIGHKJJCICFSKO-UHFFFAOYSA-N -1 1 355.753 2.353 20 0 FEADMM COc1cc(Cl)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1OC ZINC000425329055 559696987 /nfs/dbraw/zinc/69/69/87/559696987.db2.gz YUUOUNOIGQMBES-UHFFFAOYSA-N -1 1 367.789 2.466 20 0 FEADMM Cc1cnc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000427114632 559748117 /nfs/dbraw/zinc/74/81/17/559748117.db2.gz QGIMCDNQNTYBCL-AWEZNQCLSA-N -1 1 368.437 2.453 20 0 FEADMM COC(=O)c1ccc(N2CCN(C(=O)c3ncc(C)cc3[O-])[C@H](C)C2)cc1 ZINC000427129059 559748588 /nfs/dbraw/zinc/74/85/88/559748588.db2.gz SRUGYNZGJMKSAY-CQSZACIVSA-N -1 1 369.421 2.233 20 0 FEADMM O=C(c1ncccc1[O-])N(CCO)Cc1cc(Br)cs1 ZINC000427587813 559758338 /nfs/dbraw/zinc/75/83/38/559758338.db2.gz KYRFAYWAJRKJKP-UHFFFAOYSA-N -1 1 357.229 2.246 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC(F)F)cc1 ZINC000428025615 559767759 /nfs/dbraw/zinc/76/77/59/559767759.db2.gz UCVKQIQLTZFUIZ-CYBMUJFWSA-N -1 1 366.320 2.341 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(Cl)cc2)o1 ZINC000428413587 559775096 /nfs/dbraw/zinc/77/50/96/559775096.db2.gz PNXCVJUPEAVMPX-JTQLQIEISA-N -1 1 373.814 2.465 20 0 FEADMM Cc1cnn(-c2c(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)c(C)nn2C)c1 ZINC000429023472 559788980 /nfs/dbraw/zinc/78/89/80/559788980.db2.gz UTPSDAZQIIRFCK-UHFFFAOYSA-N -1 1 367.438 2.927 20 0 FEADMM O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1csc(=NC2CC2)[n-]1 ZINC000430151096 559814178 /nfs/dbraw/zinc/81/41/78/559814178.db2.gz UAXBGBKHXPGHIF-KDOFPFPSSA-N -1 1 361.442 2.753 20 0 FEADMM O=C(Nc1nc[nH]n1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430440158 559820209 /nfs/dbraw/zinc/82/02/09/559820209.db2.gz PTNIOTGVQLQFOH-UHFFFAOYSA-N -1 1 368.578 2.314 20 0 FEADMM CCc1nc(C)c(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)o1 ZINC000431961339 559849364 /nfs/dbraw/zinc/84/93/64/559849364.db2.gz USYBTSBQTIYOAM-UHFFFAOYSA-N -1 1 353.400 2.178 20 0 FEADMM COc1cc(NC(=O)N2CC(C)=C[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000432089537 559851904 /nfs/dbraw/zinc/85/19/04/559851904.db2.gz JLLIQYWIAXZBKG-LLVKDONJSA-N -1 1 353.444 2.497 20 0 FEADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432211271 559854231 /nfs/dbraw/zinc/85/42/31/559854231.db2.gz WCCHIBQPLBJXGG-HSZRJFAPSA-N -1 1 362.432 2.066 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)cc1C(N)=O ZINC000432647090 559862461 /nfs/dbraw/zinc/86/24/61/559862461.db2.gz FAZAKPJYLSIMPS-UHFFFAOYSA-N -1 1 370.814 2.257 20 0 FEADMM CN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000432821165 559865621 /nfs/dbraw/zinc/86/56/21/559865621.db2.gz IZSTZHIQUNCFGQ-UHFFFAOYSA-N -1 1 370.818 2.335 20 0 FEADMM COc1cc(NC(=O)NCc2occc2C)ccc1[N-]S(C)(=O)=O ZINC000433129323 559872681 /nfs/dbraw/zinc/87/26/81/559872681.db2.gz ZBIXUDJICUTKMW-UHFFFAOYSA-N -1 1 353.400 2.290 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCOC1)c1cc(Br)sc1Cl ZINC000433652624 559885570 /nfs/dbraw/zinc/88/55/70/559885570.db2.gz DPESNZFCHNNQRU-ZCFIWIBFSA-N -1 1 360.682 2.479 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(F)(c3ccccc3)CC2)co1 ZINC000434020790 559892559 /nfs/dbraw/zinc/89/25/59/559892559.db2.gz IHETUUXSKLVUST-UHFFFAOYSA-N -1 1 366.414 2.289 20 0 FEADMM Cn1cnc2cc([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)ccc21 ZINC000435195015 559917806 /nfs/dbraw/zinc/91/78/06/559917806.db2.gz CMZIMRRFPKZENV-UHFFFAOYSA-N -1 1 370.434 2.266 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2c(C)cccc2OC)cc1CC(=O)[O-] ZINC000435718584 559928796 /nfs/dbraw/zinc/92/87/96/559928796.db2.gz XSBJBAPDFOCBQT-UHFFFAOYSA-N -1 1 365.407 2.440 20 0 FEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C(=O)OCC)cc2)CC1 ZINC000436480667 559942558 /nfs/dbraw/zinc/94/25/58/559942558.db2.gz XALIJRYOWBABJM-UHFFFAOYSA-N -1 1 355.412 2.091 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CN2C(=O)CCc3ccccc32)c1 ZINC000436502784 559943518 /nfs/dbraw/zinc/94/35/18/559943518.db2.gz DMLSTMQZPYLPBH-UHFFFAOYSA-N -1 1 354.362 2.097 20 0 FEADMM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c([O-])cccc1F ZINC000436513778 559943897 /nfs/dbraw/zinc/94/38/97/559943897.db2.gz MZYABRIUTBLVSR-HNNXBMFYSA-N -1 1 355.369 2.100 20 0 FEADMM COCCOc1ncccc1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436557831 559945339 /nfs/dbraw/zinc/94/53/39/559945339.db2.gz VUGMXARMLPROBO-UHFFFAOYSA-N -1 1 366.801 2.404 20 0 FEADMM O=C(C(=O)N1CCC(c2nnc3ccccn32)CC1)c1ccc([O-])cc1 ZINC000436705646 559949334 /nfs/dbraw/zinc/94/93/34/559949334.db2.gz SOAJHQRENOUMLB-UHFFFAOYSA-N -1 1 350.378 2.024 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2ccc([O-])cc2F)s1 ZINC000436711471 559949554 /nfs/dbraw/zinc/94/95/54/559949554.db2.gz IHZYFWACZDHTSW-IUCAKERBSA-N -1 1 366.418 2.338 20 0 FEADMM CCOc1ccc(NC(=O)c2ccccc2[O-])cc1S(=O)(=O)N(C)C ZINC000436720770 559949929 /nfs/dbraw/zinc/94/99/29/559949929.db2.gz FJQDWFVCTYADLQ-UHFFFAOYSA-N -1 1 364.423 2.294 20 0 FEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc3nccnc3c2)c1 ZINC000436725512 559950141 /nfs/dbraw/zinc/95/01/41/559950141.db2.gz RWYCNCJCCWZPOE-UHFFFAOYSA-N -1 1 359.363 2.143 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436731485 559950404 /nfs/dbraw/zinc/95/04/04/559950404.db2.gz POAQZEWWIBYFDY-UHFFFAOYSA-N -1 1 368.842 2.226 20 0 FEADMM COCCc1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436741963 559950535 /nfs/dbraw/zinc/95/05/35/559950535.db2.gz DJQDTGMJCQLLCJ-UHFFFAOYSA-N -1 1 365.407 2.389 20 0 FEADMM CNC(=O)CCOC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436754019 559951107 /nfs/dbraw/zinc/95/11/07/559951107.db2.gz XILWUCKUSGVPOS-UHFFFAOYSA-N -1 1 374.359 2.168 20 0 FEADMM COC(=O)c1cc(OC)ccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788321 559952021 /nfs/dbraw/zinc/95/20/21/559952021.db2.gz XDPMPHQSGWIFGO-UHFFFAOYSA-N -1 1 358.350 2.398 20 0 FEADMM O=C(Nc1cnn(CCN2CCOCC2)c1)c1cc2ccccc2cc1[O-] ZINC000436812856 559952911 /nfs/dbraw/zinc/95/29/11/559952911.db2.gz NYKLCGJHCZRHMJ-UHFFFAOYSA-N -1 1 366.421 2.326 20 0 FEADMM CCc1nc([C@H](C)NC(=O)c2cc(F)cc(Br)c2[O-])n[nH]1 ZINC000436846262 559954172 /nfs/dbraw/zinc/95/41/72/559954172.db2.gz BPKCLURPPNNGQD-LURJTMIESA-N -1 1 357.183 2.465 20 0 FEADMM Cn1ccnc1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000436885054 559955368 /nfs/dbraw/zinc/95/53/68/559955368.db2.gz MTCVOENUXDZMFW-MRXNPFEDSA-N -1 1 353.353 2.353 20 0 FEADMM Cn1ccnc1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1F ZINC000436888010 559955420 /nfs/dbraw/zinc/95/54/20/559955420.db2.gz SHOXTLRVANKEAI-INIZCTEOSA-N -1 1 353.353 2.353 20 0 FEADMM CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)c1ccc([O-])cc1F ZINC000436892591 559955466 /nfs/dbraw/zinc/95/54/66/559955466.db2.gz KJIXMAURPPLHEF-STQMWFEESA-N -1 1 362.380 2.006 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ncc(F)cn2)CC1 ZINC000436920341 559956369 /nfs/dbraw/zinc/95/63/69/559956369.db2.gz GXXZQXMIOXEMIQ-UHFFFAOYSA-N -1 1 352.369 2.437 20 0 FEADMM COc1cc(CC2CN(C(=O)C(=O)c3ccc([O-])cc3)C2)cc(OC)c1 ZINC000436938636 559957176 /nfs/dbraw/zinc/95/71/76/559957176.db2.gz VFFRVTLICGZWTO-UHFFFAOYSA-N -1 1 355.390 2.293 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)c([O-])c1 ZINC000436973623 559958020 /nfs/dbraw/zinc/95/80/20/559958020.db2.gz URGWQXTURRTYQO-UHFFFAOYSA-N -1 1 360.414 2.108 20 0 FEADMM CN1C(=O)C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000436994042 559959082 /nfs/dbraw/zinc/95/90/82/559959082.db2.gz KJXWWROWHYHPOQ-DOTOQJQBSA-N -1 1 372.808 2.317 20 0 FEADMM O=C(NCCOc1ncccc1F)c1cc(Br)ccc1[O-] ZINC000437813157 559970131 /nfs/dbraw/zinc/97/01/31/559970131.db2.gz ZOHDQVCXDRYGNE-UHFFFAOYSA-N -1 1 355.163 2.498 20 0 FEADMM COc1cc(NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)ccc1[N-]S(C)(=O)=O ZINC000438042762 559973309 /nfs/dbraw/zinc/97/33/09/559973309.db2.gz GPVZVOALQROSNH-TXEJJXNPSA-N -1 1 353.444 2.186 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)ccc1O ZINC000438815036 559984167 /nfs/dbraw/zinc/98/41/67/559984167.db2.gz SICPWAOISBUYDH-UHFFFAOYSA-N -1 1 373.390 2.370 20 0 FEADMM CCSc1ccc(Cl)cc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000438935276 559985701 /nfs/dbraw/zinc/98/57/01/559985701.db2.gz JBQGRSYYQOSCAI-UHFFFAOYSA-N -1 1 360.848 2.226 20 0 FEADMM CCSc1ccc(Cl)cc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000438935276 559985702 /nfs/dbraw/zinc/98/57/02/559985702.db2.gz JBQGRSYYQOSCAI-UHFFFAOYSA-N -1 1 360.848 2.226 20 0 FEADMM Cn1c(SCC(=O)Nc2nnn[n-]2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000439273914 559991173 /nfs/dbraw/zinc/99/11/73/559991173.db2.gz NATNEKWBEPOUIL-UHFFFAOYSA-N -1 1 372.458 2.024 20 0 FEADMM Cn1c(SCC(=O)Nc2nn[n-]n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000439273914 559991174 /nfs/dbraw/zinc/99/11/74/559991174.db2.gz NATNEKWBEPOUIL-UHFFFAOYSA-N -1 1 372.458 2.024 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000439990765 560002822 /nfs/dbraw/zinc/00/28/22/560002822.db2.gz GJPMARWLWQXDSE-HZPDHXFCSA-N -1 1 370.453 2.415 20 0 FEADMM CO[C@H]1C[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000439994842 560002833 /nfs/dbraw/zinc/00/28/33/560002833.db2.gz AFVVMAGHFIPHLO-CABCVRRESA-N -1 1 356.426 2.025 20 0 FEADMM CO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000439990761 560002843 /nfs/dbraw/zinc/00/28/43/560002843.db2.gz GJPMARWLWQXDSE-CVEARBPZSA-N -1 1 370.453 2.415 20 0 FEADMM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(I)c([O-])c1 ZINC000440040587 560003593 /nfs/dbraw/zinc/00/35/93/560003593.db2.gz XIZYYYMNZUSUFY-IRUJWGPZSA-N -1 1 373.190 2.294 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2C[C@H](OC)C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000440364893 560009467 /nfs/dbraw/zinc/00/94/67/560009467.db2.gz GKRSUEDUGPYZOO-KGLIPLIRSA-N -1 1 371.459 2.002 20 0 FEADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCC(=O)N1 ZINC000442409169 560050808 /nfs/dbraw/zinc/05/08/08/560050808.db2.gz JWNJHHXHPLJSCS-MRXNPFEDSA-N -1 1 373.434 2.095 20 0 FEADMM COC(=O)C[C@H]1CSCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442969625 560064467 /nfs/dbraw/zinc/06/44/67/560064467.db2.gz VADNBDJTGWVTOA-JTQLQIEISA-N -1 1 359.831 2.175 20 0 FEADMM COc1cc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)cc(Cl)c1[O-] ZINC000443267933 560077031 /nfs/dbraw/zinc/07/70/31/560077031.db2.gz FGFDDOUZCXSHNN-CYBMUJFWSA-N -1 1 355.818 2.464 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c(OC)c1 ZINC000443416794 560083602 /nfs/dbraw/zinc/08/36/02/560083602.db2.gz IYVJLUQMLRJREX-UHFFFAOYSA-N -1 1 363.395 2.395 20 0 FEADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2O1 ZINC000443465072 560084691 /nfs/dbraw/zinc/08/46/91/560084691.db2.gz MWSQAMXUADQBPC-INIZCTEOSA-N -1 1 365.382 2.493 20 0 FEADMM COC(=O)C1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC1 ZINC000444362413 560111626 /nfs/dbraw/zinc/11/16/26/560111626.db2.gz FZMWKZVOZYYPCS-UHFFFAOYSA-N -1 1 360.410 2.346 20 0 FEADMM COc1cc(OC)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1F ZINC000446211730 560141928 /nfs/dbraw/zinc/14/19/28/560141928.db2.gz QCVXJDCNWWMFJU-UHFFFAOYSA-N -1 1 374.328 2.153 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)[nH]n2)o1 ZINC000446617228 560148460 /nfs/dbraw/zinc/14/84/60/560148460.db2.gz KDBYBIFZKDKTTD-UHFFFAOYSA-N -1 1 372.406 2.298 20 0 FEADMM CN(C)c1nc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)ns1 ZINC000447481324 560163131 /nfs/dbraw/zinc/16/31/31/560163131.db2.gz VTRHRYDCKPFOMC-UHFFFAOYSA-N -1 1 367.431 2.107 20 0 FEADMM CN(C)c1nc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)ns1 ZINC000447481324 560163132 /nfs/dbraw/zinc/16/31/32/560163132.db2.gz VTRHRYDCKPFOMC-UHFFFAOYSA-N -1 1 367.431 2.107 20 0 FEADMM NC(=O)c1ccc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)cc1 ZINC000447494267 560163304 /nfs/dbraw/zinc/16/33/04/560163304.db2.gz VRMPHDOAFVKTHP-UHFFFAOYSA-N -1 1 359.382 2.289 20 0 FEADMM NC(=O)c1ccc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)cc1 ZINC000447494267 560163305 /nfs/dbraw/zinc/16/33/05/560163305.db2.gz VRMPHDOAFVKTHP-UHFFFAOYSA-N -1 1 359.382 2.289 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3[C@H](C)C3(F)F)c2)n1 ZINC000447679074 560166642 /nfs/dbraw/zinc/16/66/42/560166642.db2.gz MMLKTVSZZIEECX-JOYOIKCWSA-N -1 1 364.352 2.166 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCc3ccco3)c2)n1 ZINC000447689498 560167166 /nfs/dbraw/zinc/16/71/66/560167166.db2.gz PZPAARLDPVFBES-UHFFFAOYSA-N -1 1 368.393 2.490 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000447787590 560169073 /nfs/dbraw/zinc/16/90/73/560169073.db2.gz NPHZIUULAAUUBV-UHFFFAOYSA-N -1 1 360.313 2.327 20 0 FEADMM COC(=O)C[C@H](C)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450697405 560270470 /nfs/dbraw/zinc/27/04/70/560270470.db2.gz AABYBFGMUUPHGK-MRVPVSSYSA-N -1 1 352.778 2.359 20 0 FEADMM COC(=O)C[C@H](C)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450697405 560270471 /nfs/dbraw/zinc/27/04/71/560270471.db2.gz AABYBFGMUUPHGK-MRVPVSSYSA-N -1 1 352.778 2.359 20 0 FEADMM C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450910957 560278125 /nfs/dbraw/zinc/27/81/25/560278125.db2.gz BUXZRRGHVFISGN-VIFPVBQESA-N -1 1 352.341 2.260 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(F)F ZINC000451089627 560286453 /nfs/dbraw/zinc/28/64/53/560286453.db2.gz YBUCMZFXBSEHJG-SECBINFHSA-N -1 1 371.789 2.457 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000451108717 560287582 /nfs/dbraw/zinc/28/75/82/560287582.db2.gz UAFZAGKPCRDVCG-UHFFFAOYSA-N -1 1 369.464 2.462 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c1Cl ZINC000451112014 560287764 /nfs/dbraw/zinc/28/77/64/560287764.db2.gz GCABELOEYSBYPR-UHFFFAOYSA-N -1 1 356.835 2.395 20 0 FEADMM O=C1CCCCN1CCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451172668 560291250 /nfs/dbraw/zinc/29/12/50/560291250.db2.gz SFNNRMOQPRYGAU-UHFFFAOYSA-N -1 1 354.403 2.253 20 0 FEADMM CN1CCC[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1=O ZINC000451272849 560297443 /nfs/dbraw/zinc/29/74/43/560297443.db2.gz HHRDJBKDZURPCH-SNVBAGLBSA-N -1 1 358.872 2.454 20 0 FEADMM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451338565 560301197 /nfs/dbraw/zinc/30/11/97/560301197.db2.gz HOQSCJZZCIZYGF-QMMMGPOBSA-N -1 1 367.901 2.266 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CCCOC1 ZINC000451385048 560303871 /nfs/dbraw/zinc/30/38/71/560303871.db2.gz PZHQMLGRDJYWBJ-KOLCDFICSA-N -1 1 367.876 2.038 20 0 FEADMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1(C)C ZINC000451447150 560307575 /nfs/dbraw/zinc/30/75/75/560307575.db2.gz AVCLDFUTNFCNEM-YOEHRIQHSA-N -1 1 371.430 2.416 20 0 FEADMM CC/C=C/CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451771982 560327631 /nfs/dbraw/zinc/32/76/31/560327631.db2.gz UMDBVNUNAZDSMC-AATRIKPKSA-N -1 1 364.464 2.222 20 0 FEADMM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(C)C ZINC000451845357 560331996 /nfs/dbraw/zinc/33/19/96/560331996.db2.gz UVRPZLWOASHGBG-AWEZNQCLSA-N -1 1 360.476 2.368 20 0 FEADMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2CC)o1 ZINC000451957227 560340676 /nfs/dbraw/zinc/34/06/76/560340676.db2.gz JJBZUYONEXDHIO-UHFFFAOYSA-N -1 1 356.400 2.048 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N(C1CC1)C1COC1 ZINC000452597650 560368707 /nfs/dbraw/zinc/36/87/07/560368707.db2.gz ZVPZNQJELBNCKW-UHFFFAOYSA-N -1 1 359.163 2.000 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000453028031 560381747 /nfs/dbraw/zinc/38/17/47/560381747.db2.gz QRGCZQPFKXEAAG-MPKXVKKWSA-N -1 1 359.344 2.413 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000453034006 560381873 /nfs/dbraw/zinc/38/18/73/560381873.db2.gz UNPGIFXTQUWSOQ-QKCSRTOESA-N -1 1 370.243 2.157 20 0 FEADMM CSc1ccc([C@@H](CNC(=O)N=c2nc3ccccn3[n-]2)N(C)C)cc1 ZINC000455107565 560470517 /nfs/dbraw/zinc/47/05/17/560470517.db2.gz ODHYVOKMSDJMEZ-OAHLLOKOSA-N -1 1 370.482 2.876 20 0 FEADMM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781372 560532706 /nfs/dbraw/zinc/53/27/06/560532706.db2.gz CRMSBGJYNKKWGQ-LLVKDONJSA-N -1 1 362.398 2.203 20 0 FEADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc([O-])c(F)c1F)C2=O ZINC000456795181 560533037 /nfs/dbraw/zinc/53/30/37/560533037.db2.gz UENBNKVKNNIWLD-XYZCENFISA-N -1 1 367.352 2.110 20 0 FEADMM CC[C@@H](CC(F)F)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000457693212 560582093 /nfs/dbraw/zinc/58/20/93/560582093.db2.gz MOJTUUDWJBAJMZ-VIFPVBQESA-N -1 1 362.398 2.453 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)ccc2o1 ZINC000460436340 560743716 /nfs/dbraw/zinc/74/37/16/560743716.db2.gz KHDCAJZYFLPETM-UHFFFAOYSA-N -1 1 370.394 2.128 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc2cc[nH]c2n1 ZINC000461096507 560761329 /nfs/dbraw/zinc/76/13/29/560761329.db2.gz UXPYHJCPOMUVCC-UHFFFAOYSA-N -1 1 364.409 2.177 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(C)nn(C)c3c2)ccc1[O-] ZINC000461350045 560767545 /nfs/dbraw/zinc/76/75/45/560767545.db2.gz XWDMXHRGTOXOBT-UHFFFAOYSA-N -1 1 374.422 2.347 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000461440887 560771526 /nfs/dbraw/zinc/77/15/26/560771526.db2.gz DLSLJRGEUVERDI-SNVBAGLBSA-N -1 1 352.387 2.182 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000461453069 560772045 /nfs/dbraw/zinc/77/20/45/560772045.db2.gz LRXRQTGBGAUBOW-UHFFFAOYSA-N -1 1 359.407 2.342 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 ZINC000461465120 560772742 /nfs/dbraw/zinc/77/27/42/560772742.db2.gz OACZFPNAZXSDSV-LBPRGKRZSA-N -1 1 364.423 2.015 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3oc(C)nc32)c1 ZINC000461465473 560772747 /nfs/dbraw/zinc/77/27/47/560772747.db2.gz VLLHVYRCFITTEK-UHFFFAOYSA-N -1 1 361.379 2.002 20 0 FEADMM CCOc1cc(C(=O)N[C@H](CCO)C2CCOCC2)cc(Cl)c1[O-] ZINC000461516935 560774209 /nfs/dbraw/zinc/77/42/09/560774209.db2.gz OKBWOEQHXWJYFP-CQSZACIVSA-N -1 1 357.834 2.352 20 0 FEADMM CC(C)(C)n1nnnc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000463430861 560814109 /nfs/dbraw/zinc/81/41/09/560814109.db2.gz WZRPXIWKVDIAAH-UHFFFAOYSA-N -1 1 350.448 2.098 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)ccc1OC(C)C ZINC000463791397 560824584 /nfs/dbraw/zinc/82/45/84/560824584.db2.gz YDZBEHURVWTMPA-UHFFFAOYSA-N -1 1 364.423 2.382 20 0 FEADMM COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1F ZINC000466265438 560883108 /nfs/dbraw/zinc/88/31/08/560883108.db2.gz RYPPWRFNDHWXBC-UHFFFAOYSA-N -1 1 355.343 2.063 20 0 FEADMM O=C(N=c1[n-]nc(-c2ccco2)s1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000467161955 560905235 /nfs/dbraw/zinc/90/52/35/560905235.db2.gz PMQSCQFAGDPTRR-GFCCVEGCSA-N -1 1 367.394 2.827 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000468429147 560929768 /nfs/dbraw/zinc/92/97/68/560929768.db2.gz UEQYHQCDRMCCTO-UHFFFAOYSA-N -1 1 358.778 2.013 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cc(Cl)ccc2F)co1 ZINC000470079190 560973694 /nfs/dbraw/zinc/97/36/94/560973694.db2.gz OHZIACSGHOCVIT-UHFFFAOYSA-N -1 1 360.794 2.252 20 0 FEADMM CCc1ccc(O)c(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000470464676 560982967 /nfs/dbraw/zinc/98/29/67/560982967.db2.gz DKUHNZOSBAWLQV-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM CC(C)[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])Cc1ccccc1 ZINC000470723119 560988044 /nfs/dbraw/zinc/98/80/44/560988044.db2.gz NMNCVQWPVHFVPR-INIZCTEOSA-N -1 1 355.438 2.148 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1ccsc1 ZINC000471628588 561009071 /nfs/dbraw/zinc/00/90/71/561009071.db2.gz MMCFCTKATRDQSO-CQSZACIVSA-N -1 1 354.453 2.007 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCOC(C)C)c1cccc(C)c1C ZINC000472743742 561034112 /nfs/dbraw/zinc/03/41/12/561034112.db2.gz BGSXLHCSDPTSDH-MRXNPFEDSA-N -1 1 357.472 2.252 20 0 FEADMM C[C@@H]1C[C@H](O)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472995546 561039872 /nfs/dbraw/zinc/03/98/72/561039872.db2.gz CIZTVVLARYLJMZ-CJNGLKHVSA-N -1 1 360.435 2.083 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)c(OC)c2)cc1F ZINC000474298535 561070594 /nfs/dbraw/zinc/07/05/94/561070594.db2.gz STBGCBFNLCYCQX-UHFFFAOYSA-N -1 1 369.374 2.134 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1NC(N)=O ZINC000474313701 561070987 /nfs/dbraw/zinc/07/09/87/561070987.db2.gz NNZVPNIIHQRKKO-UHFFFAOYSA-N -1 1 353.375 2.434 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000474335587 561071626 /nfs/dbraw/zinc/07/16/26/561071626.db2.gz WVCXOJOPQWFJBI-UHFFFAOYSA-N -1 1 363.830 2.444 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](OC)C(C)C)c1 ZINC000474366836 561072309 /nfs/dbraw/zinc/07/23/09/561072309.db2.gz CHSUZOMLDYUIAV-OAHLLOKOSA-N -1 1 358.460 2.032 20 0 FEADMM CC[C@@]1(C)Oc2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2O1 ZINC000474644290 561079497 /nfs/dbraw/zinc/07/94/97/561079497.db2.gz ATDRYIJVJWUZMS-SFHVURJKSA-N -1 1 357.366 2.053 20 0 FEADMM COc1cc(NC(=O)Cc2ccc3n[nH]cc3c2)ccc1[N-]S(C)(=O)=O ZINC000474776423 561082601 /nfs/dbraw/zinc/08/26/01/561082601.db2.gz PJHJSMLKSCJGHN-UHFFFAOYSA-N -1 1 374.422 2.124 20 0 FEADMM COc1ccccc1C(=O)NCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000474895841 561084893 /nfs/dbraw/zinc/08/48/93/561084893.db2.gz XLCUIKXVVXOSTQ-UHFFFAOYSA-N -1 1 366.377 2.159 20 0 FEADMM CCOC(=O)C1(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)CCC1 ZINC000476136392 561111691 /nfs/dbraw/zinc/11/16/91/561111691.db2.gz FTYJOCXAMBVGFD-UHFFFAOYSA-N -1 1 372.418 2.259 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000477022170 561134419 /nfs/dbraw/zinc/13/44/19/561134419.db2.gz CXHSTUMVOBFOTK-QGZVFWFLSA-N -1 1 360.421 2.109 20 0 FEADMM C[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000477028730 561134624 /nfs/dbraw/zinc/13/46/24/561134624.db2.gz YVLYXMOUUXWSFP-CYBMUJFWSA-N -1 1 361.405 2.340 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1c(Cl)cccc1C(F)(F)F ZINC000528494873 562332337 /nfs/dbraw/zinc/33/23/37/562332337.db2.gz XYBLTKSXXLSVMP-WDEREUQCSA-N -1 1 373.780 2.177 20 0 FEADMM Cc1ccc(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1C(F)(F)F ZINC000528810210 562348876 /nfs/dbraw/zinc/34/88/76/562348876.db2.gz GIOVYQQHPPQGPW-UHFFFAOYSA-N -1 1 371.388 2.410 20 0 FEADMM COc1cc(CN2CCN(c3nc(=N)[n-]s3)CC2)cc(C(F)(F)F)c1 ZINC000529537169 562377025 /nfs/dbraw/zinc/37/70/25/562377025.db2.gz QINJSWKQFDOEMD-UHFFFAOYSA-N -1 1 373.404 2.470 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000529989260 562393653 /nfs/dbraw/zinc/39/36/53/562393653.db2.gz ZVESWTRJIJAJHK-PYERRIOISA-N -1 1 356.426 2.023 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnc(Cc2ccccc2)s1 ZINC000530790913 562424113 /nfs/dbraw/zinc/42/41/13/562424113.db2.gz ALYRLRAWJREGFG-UHFFFAOYSA-N -1 1 354.439 2.446 20 0 FEADMM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000531686880 562454131 /nfs/dbraw/zinc/45/41/31/562454131.db2.gz KJVWOLVAKRMVGO-BQBZGAKWSA-N -1 1 357.284 2.377 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000532037341 562464872 /nfs/dbraw/zinc/46/48/72/562464872.db2.gz MDYCYLPRQFVGPF-UHFFFAOYSA-N -1 1 369.370 2.271 20 0 FEADMM COC(=O)c1csc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000532133701 562468218 /nfs/dbraw/zinc/46/82/18/562468218.db2.gz VWFUPTIZWGGYMU-UHFFFAOYSA-N -1 1 368.436 2.467 20 0 FEADMM Cc1nc2cc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)ccc2[nH]1 ZINC000532445064 562478393 /nfs/dbraw/zinc/47/83/93/562478393.db2.gz GIQYTCANEBRATR-UHFFFAOYSA-N -1 1 350.382 2.418 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000532574609 562482175 /nfs/dbraw/zinc/48/21/75/562482175.db2.gz UWGIOZRKPVNVTG-LLVKDONJSA-N -1 1 353.423 2.103 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881988 562491618 /nfs/dbraw/zinc/49/16/18/562491618.db2.gz SUSAEPQNVQXELL-GJZGRUSLSA-N -1 1 373.453 2.327 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)o1 ZINC000533164945 562500013 /nfs/dbraw/zinc/50/00/13/562500013.db2.gz WAQVWJCGGFVBJP-UHFFFAOYSA-N -1 1 353.352 2.182 20 0 FEADMM CCC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000533181858 562500745 /nfs/dbraw/zinc/50/07/45/562500745.db2.gz FRXBUNAPWKOQPY-QWHCGFSZSA-N -1 1 352.508 2.311 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000533201186 562501351 /nfs/dbraw/zinc/50/13/51/562501351.db2.gz LURILSPSABCNBD-RXMQYKEDSA-N -1 1 352.235 2.242 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000533202675 562501456 /nfs/dbraw/zinc/50/14/56/562501456.db2.gz QTAVVDXSYUQESF-HNNXBMFYSA-N -1 1 350.484 2.390 20 0 FEADMM O=C(NC[C@H](O)COc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000534272833 562529344 /nfs/dbraw/zinc/52/93/44/562529344.db2.gz LQZKWVWWAXMRBM-LBPRGKRZSA-N -1 1 366.211 2.324 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000534739510 562541490 /nfs/dbraw/zinc/54/14/90/562541490.db2.gz YYJNXCYLVDCZDP-IBGZPJMESA-N -1 1 351.410 2.257 20 0 FEADMM CCc1csc(-n2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cn2)n1 ZINC000534983238 562546895 /nfs/dbraw/zinc/54/68/95/562546895.db2.gz PPKAVTVIGBFNPF-UHFFFAOYSA-N -1 1 357.321 2.280 20 0 FEADMM COc1ccc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000535050410 562549731 /nfs/dbraw/zinc/54/97/31/562549731.db2.gz ZEDCIQGCJLPSAY-GHMZBOCLSA-N -1 1 371.459 2.144 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000535099189 562551171 /nfs/dbraw/zinc/55/11/71/562551171.db2.gz FULFQMSTOKLDPD-UHFFFAOYSA-N -1 1 371.393 2.070 20 0 FEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535137235 562551643 /nfs/dbraw/zinc/55/16/43/562551643.db2.gz KDTOHCUDFLFANP-UHFFFAOYSA-N -1 1 357.794 2.448 20 0 FEADMM COc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)sc1Br ZINC000535407025 562557884 /nfs/dbraw/zinc/55/78/84/562557884.db2.gz WLDKYNRAYDEBBV-UHFFFAOYSA-N -1 1 372.248 2.232 20 0 FEADMM COC(=O)c1cncc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000535785682 562568056 /nfs/dbraw/zinc/56/80/56/562568056.db2.gz LCRDCTRFMLTDST-UHFFFAOYSA-N -1 1 350.396 2.294 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCCc1cccs1 ZINC000535827561 562569145 /nfs/dbraw/zinc/56/91/45/562569145.db2.gz OSBINKOKWUXENI-UHFFFAOYSA-N -1 1 368.462 2.493 20 0 FEADMM CNC(=O)c1cccc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000536275114 562574033 /nfs/dbraw/zinc/57/40/33/562574033.db2.gz NFMOEQRZYKTDSS-UHFFFAOYSA-N -1 1 366.377 2.159 20 0 FEADMM CCO[C@@H](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C(C)C ZINC000536474322 562576416 /nfs/dbraw/zinc/57/64/16/562576416.db2.gz QESMBVPTRDYXLW-INIZCTEOSA-N -1 1 370.471 2.223 20 0 FEADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1[nH]nc2ccccc21 ZINC000540782297 562593101 /nfs/dbraw/zinc/59/31/01/562593101.db2.gz PWRWCZGODYVLPC-SFHVURJKSA-N -1 1 362.389 2.399 20 0 FEADMM Cc1ccc(S[C@@H](C)C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540806020 562593519 /nfs/dbraw/zinc/59/35/19/562593519.db2.gz BMCGQVPDDVHKNL-NSHDSACASA-N -1 1 366.464 2.467 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@H]1CCCOC1 ZINC000540975358 562599278 /nfs/dbraw/zinc/59/92/78/562599278.db2.gz VUYASUUFNOMJGR-BBRMVZONSA-N -1 1 367.423 2.069 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCCCS1 ZINC000541469534 562612742 /nfs/dbraw/zinc/61/27/42/562612742.db2.gz NHXDENPSIQZAGA-AWEZNQCLSA-N -1 1 358.467 2.497 20 0 FEADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000541772528 562619617 /nfs/dbraw/zinc/61/96/17/562619617.db2.gz FATZJQPJASLEIB-NSHDSACASA-N -1 1 355.309 2.472 20 0 FEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000541840519 562621311 /nfs/dbraw/zinc/62/13/11/562621311.db2.gz DUKZQJDZYYSTFK-QMMMGPOBSA-N -1 1 366.208 2.085 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cnn1Cc1ccccc1 ZINC000550122721 562642929 /nfs/dbraw/zinc/64/29/29/562642929.db2.gz JDAKUPRJJQEFDG-HNNXBMFYSA-N -1 1 367.409 2.348 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](Sc2ccccc2)C(C)C)n[n-]1 ZINC000603014466 568047220 /nfs/dbraw/zinc/04/72/20/568047220.db2.gz FJGXLELUJUTYQX-CQSZACIVSA-N -1 1 362.455 2.415 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](Sc2ccccc2)C(C)C)n1 ZINC000603014466 568047221 /nfs/dbraw/zinc/04/72/21/568047221.db2.gz FJGXLELUJUTYQX-CQSZACIVSA-N -1 1 362.455 2.415 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n[n-]1 ZINC000603013269 568047551 /nfs/dbraw/zinc/04/75/51/568047551.db2.gz ABONXYXSONGHPD-HTQZYQBOSA-N -1 1 354.819 2.116 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n1 ZINC000603013269 568047553 /nfs/dbraw/zinc/04/75/53/568047553.db2.gz ABONXYXSONGHPD-HTQZYQBOSA-N -1 1 354.819 2.116 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2SCCc3sccc32)n[n-]1 ZINC000603154965 568068472 /nfs/dbraw/zinc/06/84/72/568068472.db2.gz NOKVOFXIXMNSGP-GZMMTYOYSA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2SCCc3sccc32)[n-]1 ZINC000603154965 568068473 /nfs/dbraw/zinc/06/84/73/568068473.db2.gz NOKVOFXIXMNSGP-GZMMTYOYSA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2SCCc3sccc32)n1 ZINC000603154965 568068474 /nfs/dbraw/zinc/06/84/74/568068474.db2.gz NOKVOFXIXMNSGP-GZMMTYOYSA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C[C@@H]2CCc3ccccc3C2)n[n-]1 ZINC000603159375 568069152 /nfs/dbraw/zinc/06/91/52/568069152.db2.gz BFEYJTHSEDTPSB-CHWSQXEVSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C[C@@H]2CCc3ccccc3C2)[n-]1 ZINC000603159375 568069153 /nfs/dbraw/zinc/06/91/53/568069153.db2.gz BFEYJTHSEDTPSB-CHWSQXEVSA-N -1 1 356.426 2.354 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C[C@@H]2CCc3ccccc3C2)n1 ZINC000603159375 568069154 /nfs/dbraw/zinc/06/91/54/568069154.db2.gz BFEYJTHSEDTPSB-CHWSQXEVSA-N -1 1 356.426 2.354 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000603546230 568117897 /nfs/dbraw/zinc/11/78/97/568117897.db2.gz FSHRHBKZFVDCHH-IIAWOOMASA-N -1 1 355.348 2.487 20 0 FEADMM Cn1cc(N2CCC[C@H](NC(=O)c3ncc4ccccc4c3[O-])C2)cn1 ZINC000669179885 568296265 /nfs/dbraw/zinc/29/62/65/568296265.db2.gz BXEHSFWMPLXZBZ-AWEZNQCLSA-N -1 1 351.410 2.073 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccnc(C(=O)N(C)C)c1 ZINC000606146278 568672613 /nfs/dbraw/zinc/67/26/13/568672613.db2.gz VUFLZJLDNHXKLR-UHFFFAOYSA-N -1 1 361.467 2.131 20 0 FEADMM C[C@H]1CCN(C(=O)N[C@H]2CCCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807076729 674403991 /nfs/dbraw/zinc/40/39/91/674403991.db2.gz RBHOXIRMALYMTN-CYDGBPFRSA-N -1 1 365.396 2.043 20 0 FEADMM COC[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736969273 598836341 /nfs/dbraw/zinc/83/63/41/598836341.db2.gz WGBVXSNYTLIEIP-LLVKDONJSA-N -1 1 357.439 2.494 20 0 FEADMM Fc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1NC[C@@H]1CCCO1 ZINC000737651204 598856859 /nfs/dbraw/zinc/85/68/59/598856859.db2.gz JDQLZXAXCUAUNB-NSHDSACASA-N -1 1 356.365 2.130 20 0 FEADMM Fc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1NC[C@@H]1CCCO1 ZINC000737651204 598856860 /nfs/dbraw/zinc/85/68/60/598856860.db2.gz JDQLZXAXCUAUNB-NSHDSACASA-N -1 1 356.365 2.130 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCc1cccnc1 ZINC000737549679 598857382 /nfs/dbraw/zinc/85/73/82/598857382.db2.gz WVWVPRIAVODZEZ-UHFFFAOYSA-N -1 1 364.365 2.353 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCc1cccnc1 ZINC000737549679 598857383 /nfs/dbraw/zinc/85/73/83/598857383.db2.gz WVWVPRIAVODZEZ-UHFFFAOYSA-N -1 1 364.365 2.353 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)C1CCCC1 ZINC000737198751 598866019 /nfs/dbraw/zinc/86/60/19/598866019.db2.gz CRMDOFXNMCGHBH-NSHDSACASA-N -1 1 358.446 2.212 20 0 FEADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736224790 598872180 /nfs/dbraw/zinc/87/21/80/598872180.db2.gz ATOZYMDIFZYTQP-AOOOYVTPSA-N -1 1 355.851 2.187 20 0 FEADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736224790 598872181 /nfs/dbraw/zinc/87/21/81/598872181.db2.gz ATOZYMDIFZYTQP-AOOOYVTPSA-N -1 1 355.851 2.187 20 0 FEADMM COC1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000736965969 598910141 /nfs/dbraw/zinc/91/01/41/598910141.db2.gz JEKFWPLTMMCNRN-UHFFFAOYSA-N -1 1 369.356 2.269 20 0 FEADMM COC1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000736965969 598910142 /nfs/dbraw/zinc/91/01/42/598910142.db2.gz JEKFWPLTMMCNRN-UHFFFAOYSA-N -1 1 369.356 2.269 20 0 FEADMM COc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1OC ZINC000737132664 598936830 /nfs/dbraw/zinc/93/68/30/598936830.db2.gz PODBDPYURWNHIF-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM COc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1OC ZINC000737132664 598936832 /nfs/dbraw/zinc/93/68/32/598936832.db2.gz PODBDPYURWNHIF-UHFFFAOYSA-N -1 1 363.381 2.439 20 0 FEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)cc2o1 ZINC000737488607 598947887 /nfs/dbraw/zinc/94/78/87/598947887.db2.gz SGLVHFKLJDECEW-UHFFFAOYSA-N -1 1 370.394 2.426 20 0 FEADMM COc1ccccc1CCN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737150702 598967011 /nfs/dbraw/zinc/96/70/11/598967011.db2.gz RYQCROYDLVMAQC-UHFFFAOYSA-N -1 1 361.409 2.497 20 0 FEADMM COc1ccccc1CCN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737150702 598967013 /nfs/dbraw/zinc/96/70/13/598967013.db2.gz RYQCROYDLVMAQC-UHFFFAOYSA-N -1 1 361.409 2.497 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000819835406 607255553 /nfs/dbraw/zinc/25/55/53/607255553.db2.gz XNRWGKFTMCIMGF-UHFFFAOYSA-N -1 1 357.395 2.179 20 0 FEADMM O[C@@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000738389814 598968085 /nfs/dbraw/zinc/96/80/85/598968085.db2.gz NXTZWOOKDXTMPB-HXUWFJFHSA-N -1 1 373.420 2.446 20 0 FEADMM O[C@@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000738389814 598968086 /nfs/dbraw/zinc/96/80/86/598968086.db2.gz NXTZWOOKDXTMPB-HXUWFJFHSA-N -1 1 373.420 2.446 20 0 FEADMM CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735691155 598981174 /nfs/dbraw/zinc/98/11/74/598981174.db2.gz MYEXUOWHGYCVMG-UHFFFAOYSA-N -1 1 351.370 2.109 20 0 FEADMM CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735691155 598981176 /nfs/dbraw/zinc/98/11/76/598981176.db2.gz MYEXUOWHGYCVMG-UHFFFAOYSA-N -1 1 351.370 2.109 20 0 FEADMM O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738138680 598986749 /nfs/dbraw/zinc/98/67/49/598986749.db2.gz HYQARYBLVKNRTH-UHFFFAOYSA-N -1 1 372.392 2.188 20 0 FEADMM O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738138680 598986751 /nfs/dbraw/zinc/98/67/51/598986751.db2.gz HYQARYBLVKNRTH-UHFFFAOYSA-N -1 1 372.392 2.188 20 0 FEADMM O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738184979 598991889 /nfs/dbraw/zinc/99/18/89/598991889.db2.gz GCBOPMSTDVEYLC-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738184979 598991891 /nfs/dbraw/zinc/99/18/91/598991891.db2.gz GCBOPMSTDVEYLC-UHFFFAOYSA-N -1 1 373.376 2.488 20 0 FEADMM CC(C)C(=O)Nc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735693258 599032238 /nfs/dbraw/zinc/03/22/38/599032238.db2.gz YINMUDXCVQFFSW-UHFFFAOYSA-N -1 1 352.354 2.075 20 0 FEADMM CC(C)C(=O)Nc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735693258 599032240 /nfs/dbraw/zinc/03/22/40/599032240.db2.gz YINMUDXCVQFFSW-UHFFFAOYSA-N -1 1 352.354 2.075 20 0 FEADMM Cc1ccc(-c2cnc(Cn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)o2)cc1 ZINC000822213925 599124138 /nfs/dbraw/zinc/12/41/38/599124138.db2.gz HFAYPCBEHYPHHT-UHFFFAOYSA-N -1 1 363.381 2.052 20 0 FEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccccc1 ZINC000735734552 599137785 /nfs/dbraw/zinc/13/77/85/599137785.db2.gz NOENGWAXYBEJQA-INIZCTEOSA-N -1 1 351.366 2.326 20 0 FEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccccc1 ZINC000735734552 599137786 /nfs/dbraw/zinc/13/77/86/599137786.db2.gz NOENGWAXYBEJQA-INIZCTEOSA-N -1 1 351.366 2.326 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cccc(Cl)c1 ZINC000736159925 599140439 /nfs/dbraw/zinc/14/04/39/599140439.db2.gz YWGKBGCOFXANQS-VIFPVBQESA-N -1 1 372.772 2.099 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cccc(Cl)c1 ZINC000736159925 599140441 /nfs/dbraw/zinc/14/04/41/599140441.db2.gz YWGKBGCOFXANQS-VIFPVBQESA-N -1 1 372.772 2.099 20 0 FEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676233074 597072030 /nfs/dbraw/zinc/07/20/30/597072030.db2.gz NCTRHSNADRFZGF-UONOGXRCSA-N -1 1 364.442 2.068 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000666562910 597665448 /nfs/dbraw/zinc/66/54/48/597665448.db2.gz RRVSDMDQSBBXFK-OAHLLOKOSA-N -1 1 369.425 2.470 20 0 FEADMM O=C([O-])c1cccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000821552177 598210346 /nfs/dbraw/zinc/21/03/46/598210346.db2.gz VPAHEDFWXWRWHA-UHFFFAOYSA-N -1 1 356.426 2.353 20 0 FEADMM Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737319985 598267552 /nfs/dbraw/zinc/26/75/52/598267552.db2.gz IDNUQDYSKLCBIY-ZDUSSCGKSA-N -1 1 372.454 2.260 20 0 FEADMM Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737319985 598267554 /nfs/dbraw/zinc/26/75/54/598267554.db2.gz IDNUQDYSKLCBIY-ZDUSSCGKSA-N -1 1 372.454 2.260 20 0 FEADMM Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737321448 598270975 /nfs/dbraw/zinc/27/09/75/598270975.db2.gz FPDCAPKFFYAVEE-ZDUSSCGKSA-N -1 1 372.454 2.260 20 0 FEADMM Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737321448 598270976 /nfs/dbraw/zinc/27/09/76/598270976.db2.gz FPDCAPKFFYAVEE-ZDUSSCGKSA-N -1 1 372.454 2.260 20 0 FEADMM C[C@@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1=O ZINC000807802884 674430408 /nfs/dbraw/zinc/43/04/08/674430408.db2.gz SLPWWZXEGRDXMW-XJGUIPMBSA-N -1 1 362.392 2.296 20 0 FEADMM C[C@@H](Cc1cccc(Br)c1)Nc1nccnc1-c1nnn[n-]1 ZINC000736059725 598348056 /nfs/dbraw/zinc/34/80/56/598348056.db2.gz WCKTVSKWVRQRMV-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM C[C@@H](Cc1cccc(Br)c1)Nc1nccnc1-c1nn[n-]n1 ZINC000736059725 598348058 /nfs/dbraw/zinc/34/80/58/598348058.db2.gz WCKTVSKWVRQRMV-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000737775833 598430202 /nfs/dbraw/zinc/43/02/02/598430202.db2.gz FLTZSBAXYHROCY-IUCAKERBSA-N -1 1 364.196 2.396 20 0 FEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NS(=O)(=O)C1CC1 ZINC000737279175 598450645 /nfs/dbraw/zinc/45/06/45/598450645.db2.gz HRYKGQMADSWPKS-UHFFFAOYSA-N -1 1 372.410 2.267 20 0 FEADMM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736458176 598534469 /nfs/dbraw/zinc/53/44/69/598534469.db2.gz WLIQMJQCJMCFDA-UHFFFAOYSA-N -1 1 358.427 2.257 20 0 FEADMM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736458176 598534471 /nfs/dbraw/zinc/53/44/71/598534471.db2.gz WLIQMJQCJMCFDA-UHFFFAOYSA-N -1 1 358.427 2.257 20 0 FEADMM O=C(c1ccco1)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738286915 598573715 /nfs/dbraw/zinc/57/37/15/598573715.db2.gz RNUAMVQIPSUSJH-UHFFFAOYSA-N -1 1 373.804 2.225 20 0 FEADMM O=C(c1ccco1)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738286915 598573717 /nfs/dbraw/zinc/57/37/17/598573717.db2.gz RNUAMVQIPSUSJH-UHFFFAOYSA-N -1 1 373.804 2.225 20 0 FEADMM CCc1cccc2c1N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000736694789 598663282 /nfs/dbraw/zinc/66/32/82/598663282.db2.gz CPBFQXHOGDBDHE-UHFFFAOYSA-N -1 1 373.413 2.320 20 0 FEADMM C[C@@H](c1cccs1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736204734 598691644 /nfs/dbraw/zinc/69/16/44/598691644.db2.gz UGPYWURVKHXLKI-VIFPVBQESA-N -1 1 367.431 2.449 20 0 FEADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000808097174 674441090 /nfs/dbraw/zinc/44/10/90/674441090.db2.gz TVBATVCVRBEWMF-UHFFFAOYSA-N -1 1 358.769 2.433 20 0 FEADMM COc1ccccc1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737137941 598719545 /nfs/dbraw/zinc/71/95/45/598719545.db2.gz KNJQGWNTGBOKOA-UHFFFAOYSA-N -1 1 361.361 2.073 20 0 FEADMM Cc1noc(C2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000737535229 598744820 /nfs/dbraw/zinc/74/48/20/598744820.db2.gz REHUYULAEMCNHG-UHFFFAOYSA-N -1 1 352.811 2.052 20 0 FEADMM Cc1noc(C2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000737535229 598744821 /nfs/dbraw/zinc/74/48/21/598744821.db2.gz REHUYULAEMCNHG-UHFFFAOYSA-N -1 1 352.811 2.052 20 0 FEADMM O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1ccc(F)c(Cl)c1 ZINC000808121474 674442587 /nfs/dbraw/zinc/44/25/87/674442587.db2.gz NYAJEZBWZHUWSH-UHFFFAOYSA-N -1 1 357.790 2.498 20 0 FEADMM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737321624 599324446 /nfs/dbraw/zinc/32/44/46/599324446.db2.gz GTIWZSFSSBRXCW-UHFFFAOYSA-N -1 1 372.454 2.482 20 0 FEADMM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737321624 599324447 /nfs/dbraw/zinc/32/44/47/599324447.db2.gz GTIWZSFSSBRXCW-UHFFFAOYSA-N -1 1 372.454 2.482 20 0 FEADMM Cn1ccnc1COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822698726 599413994 /nfs/dbraw/zinc/41/39/94/599413994.db2.gz CIHVCFKVPDCEKO-UHFFFAOYSA-N -1 1 351.370 2.384 20 0 FEADMM Cn1ccnc1COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822698726 599413996 /nfs/dbraw/zinc/41/39/96/599413996.db2.gz CIHVCFKVPDCEKO-UHFFFAOYSA-N -1 1 351.370 2.384 20 0 FEADMM COc1ccc(C2(CNc3cccc(-c4nnn[n-]4)n3)CCOCC2)cc1 ZINC000737077068 599416789 /nfs/dbraw/zinc/41/67/89/599416789.db2.gz MNPFYZJQJMEIDL-UHFFFAOYSA-N -1 1 366.425 2.431 20 0 FEADMM COc1ccc(C2(CNc3cccc(-c4nn[n-]n4)n3)CCOCC2)cc1 ZINC000737077068 599416793 /nfs/dbraw/zinc/41/67/93/599416793.db2.gz MNPFYZJQJMEIDL-UHFFFAOYSA-N -1 1 366.425 2.431 20 0 FEADMM CC(C)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nc(-c2cccnc2)no1 ZINC000820027015 599424700 /nfs/dbraw/zinc/42/47/00/599424700.db2.gz PHWKEBDKQJEUFJ-AWEZNQCLSA-N -1 1 366.385 2.392 20 0 FEADMM CC(C)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nc(-c2cccnc2)no1 ZINC000820027015 599424701 /nfs/dbraw/zinc/42/47/01/599424701.db2.gz PHWKEBDKQJEUFJ-AWEZNQCLSA-N -1 1 366.385 2.392 20 0 FEADMM COc1cccc(-c2noc([C@@H](C)NCc3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC000821854396 599463680 /nfs/dbraw/zinc/46/36/80/599463680.db2.gz IVEJVPJTMLTEDE-SNVBAGLBSA-N -1 1 367.369 2.369 20 0 FEADMM COc1cccc(-c2noc([C@@H](C)NCc3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC000821854396 599463683 /nfs/dbraw/zinc/46/36/83/599463683.db2.gz IVEJVPJTMLTEDE-SNVBAGLBSA-N -1 1 367.369 2.369 20 0 FEADMM CCCNC(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821113697 599505500 /nfs/dbraw/zinc/50/55/00/599505500.db2.gz DEIUYNWCQSKGIT-CYBMUJFWSA-N -1 1 365.441 2.158 20 0 FEADMM CCCNC(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821113697 599505503 /nfs/dbraw/zinc/50/55/03/599505503.db2.gz DEIUYNWCQSKGIT-CYBMUJFWSA-N -1 1 365.441 2.158 20 0 FEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(C2OCCO2)CC1 ZINC000823791332 599515362 /nfs/dbraw/zinc/51/53/62/599515362.db2.gz BMVOQIBYXLBVBB-UHFFFAOYSA-N -1 1 352.398 2.004 20 0 FEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC(C2OCCO2)CC1 ZINC000823791332 599515363 /nfs/dbraw/zinc/51/53/63/599515363.db2.gz BMVOQIBYXLBVBB-UHFFFAOYSA-N -1 1 352.398 2.004 20 0 FEADMM Brc1cc2c(s1)CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000819688308 607382912 /nfs/dbraw/zinc/38/29/12/607382912.db2.gz GFIQAMBOUVQKFK-UHFFFAOYSA-N -1 1 364.232 2.043 20 0 FEADMM Brc1cc2c(s1)CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000819688308 607382914 /nfs/dbraw/zinc/38/29/14/607382914.db2.gz GFIQAMBOUVQKFK-UHFFFAOYSA-N -1 1 364.232 2.043 20 0 FEADMM CCc1nnc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)o1 ZINC000821516905 599550343 /nfs/dbraw/zinc/55/03/43/599550343.db2.gz DRDKDRSTDLBWKI-UHFFFAOYSA-N -1 1 362.353 2.126 20 0 FEADMM CCc1nnc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)o1 ZINC000821516905 599550346 /nfs/dbraw/zinc/55/03/46/599550346.db2.gz DRDKDRSTDLBWKI-UHFFFAOYSA-N -1 1 362.353 2.126 20 0 FEADMM COc1cccc([C@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000821863946 599583064 /nfs/dbraw/zinc/58/30/64/599583064.db2.gz RRKHCQKPOYFAIP-VIFPVBQESA-N -1 1 352.807 2.131 20 0 FEADMM COc1cccc([C@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000821863946 599583067 /nfs/dbraw/zinc/58/30/67/599583067.db2.gz RRKHCQKPOYFAIP-VIFPVBQESA-N -1 1 352.807 2.131 20 0 FEADMM O=C(OCc1ncc(-c2ccccc2F)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440509 599661894 /nfs/dbraw/zinc/66/18/94/599661894.db2.gz XCKSCOOMWLDMRX-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM O=C(OCc1ncc(-c2ccccc2F)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440509 599661895 /nfs/dbraw/zinc/66/18/95/599661895.db2.gz XCKSCOOMWLDMRX-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM Cc1oc(NC(=O)COC(=O)c2cc(C)cc(F)c2)c(-c2nn[n-]n2)c1C ZINC000822203259 599669773 /nfs/dbraw/zinc/66/97/73/599669773.db2.gz LCYLSXPMAHJMRM-UHFFFAOYSA-N -1 1 373.344 2.320 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820656837 607387078 /nfs/dbraw/zinc/38/70/78/607387078.db2.gz HQUIIXWGKKPMLF-VXGBXAGGSA-N -1 1 359.434 2.144 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820656837 607387080 /nfs/dbraw/zinc/38/70/80/607387080.db2.gz HQUIIXWGKKPMLF-VXGBXAGGSA-N -1 1 359.434 2.144 20 0 FEADMM O=C(Nc1cc(Cl)c(O)cc1F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000557949270 674476100 /nfs/dbraw/zinc/47/61/00/674476100.db2.gz GLSPWVOPSCKPRV-UHFFFAOYSA-N -1 1 350.693 2.186 20 0 FEADMM CC[C@]1(c2ccccc2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736932189 599841217 /nfs/dbraw/zinc/84/12/17/599841217.db2.gz MPZJONYRYSAJQL-HNAYVOBHSA-N -1 1 359.426 2.130 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000736204168 599893790 /nfs/dbraw/zinc/89/37/90/599893790.db2.gz HCBYSKOURQLNDB-CRAIPNDOSA-N -1 1 360.454 2.162 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)[O-])Oc4ccccc43)[nH]n2)o1 ZINC000738486935 599912870 /nfs/dbraw/zinc/91/28/70/599912870.db2.gz MSBGXSFJQVBUGM-INIZCTEOSA-N -1 1 353.334 2.471 20 0 FEADMM COCCN1CCC[C@@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000737808697 599954372 /nfs/dbraw/zinc/95/43/72/599954372.db2.gz DNDREJMSHCVKGK-UONOGXRCSA-N -1 1 366.483 2.092 20 0 FEADMM COc1cccc([C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)c1 ZINC000738092153 600013263 /nfs/dbraw/zinc/01/32/63/600013263.db2.gz OCCAHJZBZLPFSO-PUJMQQBBSA-N -1 1 363.458 2.241 20 0 FEADMM COc1c(C)cc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1C ZINC000737839126 600053739 /nfs/dbraw/zinc/05/37/39/600053739.db2.gz CUSORLAQLJXIIO-UHFFFAOYSA-N -1 1 356.425 2.196 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806171 600065730 /nfs/dbraw/zinc/06/57/30/600065730.db2.gz CENBIKDQDBIFBS-FCEWJHQRSA-N -1 1 374.481 2.418 20 0 FEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)nc2)c1 ZINC000737684669 600168989 /nfs/dbraw/zinc/16/89/89/600168989.db2.gz WUTUGVJGQUNODW-UHFFFAOYSA-N -1 1 370.770 2.021 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000738521596 600217336 /nfs/dbraw/zinc/21/73/36/600217336.db2.gz YNIZJWXXQHEHRF-DZGCQCFKSA-N -1 1 356.426 2.243 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)n2)cc1 ZINC000738690261 600247150 /nfs/dbraw/zinc/24/71/50/600247150.db2.gz VAMYXVMSZIMEGJ-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000736879395 600264023 /nfs/dbraw/zinc/26/40/23/600264023.db2.gz QAIDISIZBOVRRB-YEWWUXTCSA-N -1 1 350.434 2.306 20 0 FEADMM Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@H](C(=O)[O-])C1 ZINC000738828509 600280591 /nfs/dbraw/zinc/28/05/91/600280591.db2.gz YNHBWZIZEABOMC-LBPRGKRZSA-N -1 1 365.231 2.380 20 0 FEADMM COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000737688181 600291198 /nfs/dbraw/zinc/29/11/98/600291198.db2.gz JPCSMAPKNHCWNK-ZFWWWQNUSA-N -1 1 374.437 2.295 20 0 FEADMM O=C(CN1CCC2(C[C@H]2C(=O)[O-])CC1)NCCCOC1CCCCC1 ZINC000739277940 600297419 /nfs/dbraw/zinc/29/74/19/600297419.db2.gz LGSVBVKEWRQUHS-INIZCTEOSA-N -1 1 352.475 2.029 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCN1CCOC ZINC000736939692 600336825 /nfs/dbraw/zinc/33/68/25/600336825.db2.gz QOPZSPFHBBBNEK-ZDUSSCGKSA-N -1 1 353.394 2.098 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)ccc1F ZINC000736160798 600360427 /nfs/dbraw/zinc/36/04/27/600360427.db2.gz IQOJWNHFHPUUJG-UHFFFAOYSA-N -1 1 373.387 2.048 20 0 FEADMM COc1ccc(C(=O)N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000737922277 600398999 /nfs/dbraw/zinc/39/89/99/600398999.db2.gz IUWASVIWICIQDB-GOSISDBHSA-N -1 1 354.406 2.279 20 0 FEADMM CCS(=O)(=O)N(C)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000565105412 600408985 /nfs/dbraw/zinc/40/89/85/600408985.db2.gz YTQJVFOWBJBVBT-OAHLLOKOSA-N -1 1 374.890 2.212 20 0 FEADMM CCN(C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000571172140 600409113 /nfs/dbraw/zinc/40/91/13/600409113.db2.gz NBFMAOYSCDPCCH-OAHLLOKOSA-N -1 1 374.890 2.212 20 0 FEADMM C[C@H]1CSCCN1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000736826574 600440330 /nfs/dbraw/zinc/44/03/30/600440330.db2.gz VOCRQNOXSVTPOQ-LRDDRELGSA-N -1 1 361.467 2.159 20 0 FEADMM Cc1oc(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1C(=O)[O-] ZINC000738969709 600482514 /nfs/dbraw/zinc/48/25/14/600482514.db2.gz PFNURAWKXJDCSF-UHFFFAOYSA-N -1 1 367.305 2.154 20 0 FEADMM C[C@H](O)CN1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000736676006 600538172 /nfs/dbraw/zinc/53/81/72/600538172.db2.gz HLFJJKSMPDGQGU-NSHDSACASA-N -1 1 352.431 2.237 20 0 FEADMM CN(Cc1ccc(Cl)s1)C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000737472131 600538205 /nfs/dbraw/zinc/53/82/05/600538205.db2.gz NNEWLDRHPRQNEX-GFCCVEGCSA-N -1 1 374.890 2.316 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000736863943 600561623 /nfs/dbraw/zinc/56/16/23/600561623.db2.gz RNKBUZREMSDSAZ-LPMFXHHGSA-N -1 1 363.458 2.082 20 0 FEADMM O=C([O-])C[C@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)C(F)F ZINC000809226755 674488330 /nfs/dbraw/zinc/48/83/30/674488330.db2.gz JOSRBMNQOFBJOW-RXMQYKEDSA-N -1 1 363.169 2.023 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736941447 600651667 /nfs/dbraw/zinc/65/16/67/600651667.db2.gz MSMBAGVUHNKEMK-CYBMUJFWSA-N -1 1 358.435 2.067 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000831328588 600687705 /nfs/dbraw/zinc/68/77/05/600687705.db2.gz WBGBUZYUKVFLRM-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM C[C@@H]1CCN(C(=O)NCCSCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000382642390 600771151 /nfs/dbraw/zinc/77/11/51/600771151.db2.gz ACVGDBRKPKSMPC-OAHLLOKOSA-N -1 1 365.499 2.110 20 0 FEADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC000830857392 600786410 /nfs/dbraw/zinc/78/64/10/600786410.db2.gz ZDYUGVJYEXOFHG-INIZCTEOSA-N -1 1 374.462 2.280 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3ccc(C(=O)[O-])s3)[nH]c2c1 ZINC000832958595 600791991 /nfs/dbraw/zinc/79/19/91/600791991.db2.gz BEEMJOVAIYHSSN-UHFFFAOYSA-N -1 1 351.409 2.110 20 0 FEADMM COCCN1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C[C@H]1C ZINC000831744565 600825793 /nfs/dbraw/zinc/82/57/93/600825793.db2.gz LDTBNRNIAKOSGQ-CYBMUJFWSA-N -1 1 356.850 2.070 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)C(=O)[O-] ZINC000736879581 600956184 /nfs/dbraw/zinc/95/61/84/600956184.db2.gz RBSVZWKWSHBRJN-UGSOOPFHSA-N -1 1 372.469 2.358 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)o1 ZINC000829680406 600963566 /nfs/dbraw/zinc/96/35/66/600963566.db2.gz ZKHPGLPKVZEBCI-UHFFFAOYSA-N -1 1 352.431 2.217 20 0 FEADMM C[C@](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)(C(=O)[O-])C1CC1 ZINC000827729278 601033776 /nfs/dbraw/zinc/03/37/76/601033776.db2.gz ZFSFNAHIJQGBQA-CRAIPNDOSA-N -1 1 359.451 2.192 20 0 FEADMM O=C([O-])C1(NC(=O)CN2CCC[C@H]2C[C@@H](O)c2ccccc2)CCCCC1 ZINC000833105542 601043635 /nfs/dbraw/zinc/04/36/35/601043635.db2.gz KMYUSJVRNNVWDL-ZWKOTPCHSA-N -1 1 374.481 2.478 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 ZINC000827362965 601089861 /nfs/dbraw/zinc/08/98/61/601089861.db2.gz XHQFWIPDZRAXPA-ZDUSSCGKSA-N -1 1 354.834 2.116 20 0 FEADMM Cc1cccc2c(CCC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c[nH]c21 ZINC000630225832 601090427 /nfs/dbraw/zinc/09/04/27/601090427.db2.gz SQLBNRIXVSWQST-HNNXBMFYSA-N -1 1 357.454 2.416 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1 ZINC000630222211 601101992 /nfs/dbraw/zinc/10/19/92/601101992.db2.gz DXUWUQRELFZCBV-HNNXBMFYSA-N -1 1 362.470 2.370 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000630226492 601107281 /nfs/dbraw/zinc/10/72/81/601107281.db2.gz YIBVQQWYMDIBEB-LBPRGKRZSA-N -1 1 358.360 2.255 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCSc2ccc(F)cc2)CC1 ZINC000630225550 601107481 /nfs/dbraw/zinc/10/74/81/601107481.db2.gz VALMOQWTGXWYTI-CYBMUJFWSA-N -1 1 354.447 2.315 20 0 FEADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](Cc3cnn(C)c3)C2)c(C)c1C(=O)[O-] ZINC000832843565 601118578 /nfs/dbraw/zinc/11/85/78/601118578.db2.gz XTCLNWOZNVGZHL-KBPBESRZSA-N -1 1 358.442 2.199 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000738526130 601125768 /nfs/dbraw/zinc/12/57/68/601125768.db2.gz PRRCCMDRYNSZON-UHFFFAOYSA-N -1 1 368.437 2.239 20 0 FEADMM CCOc1cc(F)ccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000830049566 601129359 /nfs/dbraw/zinc/12/93/59/601129359.db2.gz IALOLXJSVQFYDL-GFCCVEGCSA-N -1 1 353.394 2.237 20 0 FEADMM CCn1ncc2ccc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc21 ZINC000830452537 601131785 /nfs/dbraw/zinc/13/17/85/601131785.db2.gz ZVLJSAPQSLYAMX-ZDUSSCGKSA-N -1 1 359.430 2.069 20 0 FEADMM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000828707906 601170749 /nfs/dbraw/zinc/17/07/49/601170749.db2.gz IQTNLCPQCTTXTE-KVSKMBFKSA-N -1 1 361.486 2.203 20 0 FEADMM CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323647320 601264329 /nfs/dbraw/zinc/26/43/29/601264329.db2.gz VHAOKVOBVRTAHO-GFCCVEGCSA-N -1 1 360.863 2.143 20 0 FEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc21 ZINC000833116432 601274891 /nfs/dbraw/zinc/27/48/91/601274891.db2.gz WKGVRSUSHQYTHU-UHFFFAOYSA-N -1 1 367.437 2.132 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)CSc2n[nH]c(=S)s2)C(=O)[O-])cc1 ZINC000832923315 601284011 /nfs/dbraw/zinc/28/40/11/601284011.db2.gz XRPLXAMLOFTPIM-SNVBAGLBSA-N -1 1 369.493 2.212 20 0 FEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000824991399 607500111 /nfs/dbraw/zinc/50/01/11/607500111.db2.gz APYQTZLFEOQBBL-CHWSQXEVSA-N -1 1 373.461 2.091 20 0 FEADMM C[C@@H](CSCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820293183 607500401 /nfs/dbraw/zinc/50/04/01/607500401.db2.gz IISTXIPLOVHHRG-NSHDSACASA-N -1 1 357.443 2.108 20 0 FEADMM C[C@@H](CSCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820293183 607500402 /nfs/dbraw/zinc/50/04/02/607500402.db2.gz IISTXIPLOVHHRG-NSHDSACASA-N -1 1 357.443 2.108 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CCN1C[C@H](C)O ZINC000829143416 601332856 /nfs/dbraw/zinc/33/28/56/601332856.db2.gz ZOEOIOGKDFCBKI-WFASDCNBSA-N -1 1 350.419 2.085 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN1CCCN(c2nc(C)ns2)CC1 ZINC000830369122 601422871 /nfs/dbraw/zinc/42/28/71/601422871.db2.gz JHZIRAFFOCQGPN-UHFFFAOYSA-N -1 1 350.444 2.412 20 0 FEADMM Cc1cc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)[nH]n1 ZINC000832884027 601668789 /nfs/dbraw/zinc/66/87/89/601668789.db2.gz SUXQAZVZWXYSPA-CYBMUJFWSA-N -1 1 371.315 2.491 20 0 FEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000663130014 601722383 /nfs/dbraw/zinc/72/23/83/601722383.db2.gz CJVVAUQBOHQRRP-OAQYLSRUSA-N -1 1 368.433 2.292 20 0 FEADMM C[C@@H](CN(Cc1ccccc1)CN1CC2(CC1=O)CCOCC2)C(=O)[O-] ZINC000827456214 601785549 /nfs/dbraw/zinc/78/55/49/601785549.db2.gz SRBAUVJUZXEZQZ-INIZCTEOSA-N -1 1 360.454 2.196 20 0 FEADMM CC(C)[C@H](NCC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000035391668 601824020 /nfs/dbraw/zinc/82/40/20/601824020.db2.gz CPADLWZCLOOVQN-HZMBPMFUSA-N -1 1 357.248 2.325 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)cc(F)c1F ZINC000751145142 601836151 /nfs/dbraw/zinc/83/61/51/601836151.db2.gz IDYNXMDTKUQUSO-UHFFFAOYSA-N -1 1 353.306 2.340 20 0 FEADMM CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000829722006 601920718 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368.503 2.429 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1cccs1 ZINC000739605510 602053007 /nfs/dbraw/zinc/05/30/07/602053007.db2.gz BREZXGKMHIOCTA-STQMWFEESA-N -1 1 354.476 2.040 20 0 FEADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000829960283 602076444 /nfs/dbraw/zinc/07/64/44/602076444.db2.gz DQVWAKPIEDVVJA-CQSZACIVSA-N -1 1 351.790 2.292 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000558437031 674495703 /nfs/dbraw/zinc/49/57/03/674495703.db2.gz VUZRMIOTJMUGJY-VIFPVBQESA-N -1 1 369.418 2.533 20 0 FEADMM C[C@H](Oc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1)C(=O)[O-] ZINC000827884354 602126845 /nfs/dbraw/zinc/12/68/45/602126845.db2.gz IIZBXRVSZIOZTB-ZUZCIYMTSA-N -1 1 351.366 2.385 20 0 FEADMM COC(=O)c1cc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc(C(=O)[O-])c1 ZINC000831295821 602237612 /nfs/dbraw/zinc/23/76/12/602237612.db2.gz ZZTVACGRSOEKRH-ZDUSSCGKSA-N -1 1 358.354 2.094 20 0 FEADMM CC[C@@]1(C)CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000829050184 602241432 /nfs/dbraw/zinc/24/14/32/602241432.db2.gz NEJUFZZZIBMAIT-PXNSSMCTSA-N -1 1 357.454 2.402 20 0 FEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c1 ZINC000739947972 602275225 /nfs/dbraw/zinc/27/52/25/602275225.db2.gz UPIAKKJMEMTTND-WMLDXEAASA-N -1 1 363.458 2.164 20 0 FEADMM COc1ccc(O)c(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000832424346 602310041 /nfs/dbraw/zinc/31/00/41/602310041.db2.gz ALBBYHUAINIDHK-UHFFFAOYSA-N -1 1 367.379 2.055 20 0 FEADMM COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)N1CCCC1 ZINC000738121047 602341253 /nfs/dbraw/zinc/34/12/53/602341253.db2.gz PDFRDPFGEPVOLX-WBVHZDCISA-N -1 1 363.458 2.241 20 0 FEADMM CCC[C@@H](NC(=O)[O-])C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000739314482 602370686 /nfs/dbraw/zinc/37/06/86/602370686.db2.gz QFUMKVJXVODOCQ-QGZVFWFLSA-N -1 1 363.458 2.166 20 0 FEADMM CC1CCN(CC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)CC1 ZINC000828286027 602390566 /nfs/dbraw/zinc/39/05/66/602390566.db2.gz RHEACDSUBYPWPU-UHFFFAOYSA-N -1 1 354.397 2.500 20 0 FEADMM CC(C)N(CCC(=O)Nc1ccc(CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000738843995 602393530 /nfs/dbraw/zinc/39/35/30/602393530.db2.gz OFNWUOMVJUFWBN-UHFFFAOYSA-N -1 1 362.474 2.151 20 0 FEADMM C[C@@H](NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738959477 602449250 /nfs/dbraw/zinc/44/92/50/602449250.db2.gz CMQBXMORMRPATK-OLZOCXBDSA-N -1 1 351.422 2.371 20 0 FEADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739055171 602450605 /nfs/dbraw/zinc/45/06/05/602450605.db2.gz FOQMIWWRDFHJCQ-KBPBESRZSA-N -1 1 354.472 2.473 20 0 FEADMM O=C([O-])N1CC[C@@H](CCNC(=O)c2cccc(Br)c2O)C1 ZINC000740432193 602461589 /nfs/dbraw/zinc/46/15/89/602461589.db2.gz XBJMJTCARYOZFG-SECBINFHSA-N -1 1 357.204 2.275 20 0 FEADMM C[C@@H](CCNC(=O)c1n[nH]c2ccc(Br)cc21)NC(=O)[O-] ZINC000738902703 602495161 /nfs/dbraw/zinc/49/51/61/602495161.db2.gz DSGSOMSCEKSNTO-ZETCQYMHSA-N -1 1 355.192 2.101 20 0 FEADMM Cc1ccc([C@H](NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000740116229 602532347 /nfs/dbraw/zinc/53/23/47/602532347.db2.gz AWEKTDFZGRWCSX-KXBFYZLASA-N -1 1 359.470 2.494 20 0 FEADMM C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738627389 602534502 /nfs/dbraw/zinc/53/45/02/602534502.db2.gz GVRZYULRBLCKOZ-OLZOCXBDSA-N -1 1 353.850 2.276 20 0 FEADMM C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737562776 602536872 /nfs/dbraw/zinc/53/68/72/602536872.db2.gz YHLHBBOTCWXELV-GFCCVEGCSA-N -1 1 351.472 2.096 20 0 FEADMM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnnn1Cc1ccccc1 ZINC000739099602 602553763 /nfs/dbraw/zinc/55/37/63/602553763.db2.gz KKVQLGQQOUWFGR-RDTXWAMCSA-N -1 1 358.446 2.028 20 0 FEADMM O=C([O-])N1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000740406918 602611586 /nfs/dbraw/zinc/61/15/86/602611586.db2.gz XGJRMRZBPUNSMP-CABCVRRESA-N -1 1 364.446 2.248 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H]3CCN(C(=O)[O-])C3)[nH]c2c1 ZINC000740158134 602636188 /nfs/dbraw/zinc/63/61/88/602636188.db2.gz HODLLQKLOKZIBJ-SWLSCSKDSA-N -1 1 357.414 2.470 20 0 FEADMM CC(C)CN1CCN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)CC1 ZINC000738824687 602696563 /nfs/dbraw/zinc/69/65/63/602696563.db2.gz LGELFEDJMGZMAT-UHFFFAOYSA-N -1 1 362.474 2.217 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cccc3c2CCC3=O)c1-c1nn[n-]n1 ZINC000826304741 607582097 /nfs/dbraw/zinc/58/20/97/607582097.db2.gz WNFKJPKAYGPDKC-UHFFFAOYSA-N -1 1 370.390 2.072 20 0 FEADMM CN1CCN(c2ccc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000739735645 602723244 /nfs/dbraw/zinc/72/32/44/602723244.db2.gz BGSKHTUHMQCNGX-SFHVURJKSA-N -1 1 368.437 2.386 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739502250 602773344 /nfs/dbraw/zinc/77/33/44/602773344.db2.gz PUSLOUXETUZWHJ-YOEHRIQHSA-N -1 1 363.458 2.022 20 0 FEADMM CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824191802 607586540 /nfs/dbraw/zinc/58/65/40/607586540.db2.gz GBRKSBBSJGWEBU-SNVBAGLBSA-N -1 1 353.423 2.203 20 0 FEADMM CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824191802 607586541 /nfs/dbraw/zinc/58/65/41/607586541.db2.gz GBRKSBBSJGWEBU-SNVBAGLBSA-N -1 1 353.423 2.203 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H]1c1ccccc1 ZINC000826496400 607589365 /nfs/dbraw/zinc/58/93/65/607589365.db2.gz VCLCMPBZMHUVBX-CYBMUJFWSA-N -1 1 359.386 2.142 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H]1c1ccccc1 ZINC000826496400 607589367 /nfs/dbraw/zinc/58/93/67/607589367.db2.gz VCLCMPBZMHUVBX-CYBMUJFWSA-N -1 1 359.386 2.142 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739139323 602887806 /nfs/dbraw/zinc/88/78/06/602887806.db2.gz UAXIWPOOHLAJTF-SCRDCRAPSA-N -1 1 354.476 2.133 20 0 FEADMM O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449763 607594643 /nfs/dbraw/zinc/59/46/43/607594643.db2.gz IWOYMWSPYLEGCV-UHFFFAOYSA-N -1 1 364.287 2.142 20 0 FEADMM O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449763 607594645 /nfs/dbraw/zinc/59/46/45/607594645.db2.gz IWOYMWSPYLEGCV-UHFFFAOYSA-N -1 1 364.287 2.142 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000809816931 674511844 /nfs/dbraw/zinc/51/18/44/674511844.db2.gz PGGYBAHESRHUCZ-INIZCTEOSA-N -1 1 371.499 2.489 20 0 FEADMM O=C([O-])NC1(c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)CCC1 ZINC000740549832 603005475 /nfs/dbraw/zinc/00/54/75/603005475.db2.gz IMGZMHYUBCKHJL-CQSZACIVSA-N -1 1 357.414 2.491 20 0 FEADMM CC(C)N(C1CCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824289217 607604326 /nfs/dbraw/zinc/60/43/26/607604326.db2.gz XQIFWSGATCAAST-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000740117247 603082954 /nfs/dbraw/zinc/08/29/54/603082954.db2.gz JACITVPUVJPTJV-GJZGRUSLSA-N -1 1 364.446 2.070 20 0 FEADMM O=C(CCCc1nn[n-]n1)NC1(c2ccc(Br)cc2)CC1 ZINC000635385284 677097171 /nfs/dbraw/zinc/09/71/71/677097171.db2.gz DAFNSGAHDODPIJ-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)N(C)C)c1 ZINC000739946384 603232925 /nfs/dbraw/zinc/23/29/25/603232925.db2.gz UBNTVFHKDASICC-INMHGKMJSA-N -1 1 363.458 2.241 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000827229256 603278908 /nfs/dbraw/zinc/27/89/08/603278908.db2.gz YWCGUFWCTYZRKV-HNNXBMFYSA-N -1 1 360.458 2.300 20 0 FEADMM C[C@@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739173932 603414760 /nfs/dbraw/zinc/41/47/60/603414760.db2.gz NKAJDWFFGMFBTR-GDBMZVCRSA-N -1 1 365.499 2.263 20 0 FEADMM CC(C)(CO)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000824162791 607633233 /nfs/dbraw/zinc/63/32/33/607633233.db2.gz OIJDSIFVOYKFRK-CYBMUJFWSA-N -1 1 371.466 2.460 20 0 FEADMM CC(C)(CO)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000824162791 607633235 /nfs/dbraw/zinc/63/32/35/607633235.db2.gz OIJDSIFVOYKFRK-CYBMUJFWSA-N -1 1 371.466 2.460 20 0 FEADMM CCN(CC1CCN(Cn2ncc3cc(C(=O)OC)ccc32)CC1)C(=O)[O-] ZINC000827105515 603602105 /nfs/dbraw/zinc/60/21/05/603602105.db2.gz ZMGCBZSETHNMFC-UHFFFAOYSA-N -1 1 374.441 2.492 20 0 FEADMM Cc1ccc(F)c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826289937 607643797 /nfs/dbraw/zinc/64/37/97/607643797.db2.gz SGVJUPGEJXPUKY-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM Cc1ccc(F)c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826289937 607643799 /nfs/dbraw/zinc/64/37/99/607643799.db2.gz SGVJUPGEJXPUKY-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM COc1ccc(OC)c([C@H](O)CN2CCC[C@@H](C)[C@H]2CNC(=O)[O-])c1 ZINC000829493631 603722378 /nfs/dbraw/zinc/72/23/78/603722378.db2.gz AULMIWYBRSYHNO-DAXOMENPSA-N -1 1 352.431 2.105 20 0 FEADMM O=S(=O)(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488728 607648234 /nfs/dbraw/zinc/64/82/34/607648234.db2.gz XQAMDGGQOAZIMR-OCCSQVGLSA-N -1 1 365.434 2.253 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COC3CCCC3)cc2)n1 ZINC000832729593 603736499 /nfs/dbraw/zinc/73/64/99/603736499.db2.gz GKNNKMPFBLMNED-UHFFFAOYSA-N -1 1 359.386 2.137 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COC3CCCC3)cc2)n[nH]1 ZINC000832729593 603736502 /nfs/dbraw/zinc/73/65/02/603736502.db2.gz GKNNKMPFBLMNED-UHFFFAOYSA-N -1 1 359.386 2.137 20 0 FEADMM Cc1ccc2nc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])[nH]c2c1 ZINC000830433433 603764732 /nfs/dbraw/zinc/76/47/32/603764732.db2.gz UHJBKEIVDUOQRP-INIZCTEOSA-N -1 1 352.394 2.366 20 0 FEADMM O=C1CCCc2c(OS(=O)(=O)c3ccccc3-c3nn[n-]n3)cccc21 ZINC000826480729 607651245 /nfs/dbraw/zinc/65/12/45/607651245.db2.gz OBIYFHNSBPOJLE-UHFFFAOYSA-N -1 1 370.390 2.153 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1ccc(F)cc1 ZINC000828199635 603806738 /nfs/dbraw/zinc/80/67/38/603806738.db2.gz QDMCBBZEYREFEA-JKSUJKDBSA-N -1 1 366.437 2.212 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-])c1ccc(F)cc1 ZINC000827994019 603806767 /nfs/dbraw/zinc/80/67/67/603806767.db2.gz GPQNGYKFGQFFFF-VNQPRFMTSA-N -1 1 366.437 2.164 20 0 FEADMM O=C([O-])N1CCc2cccc(CN[C@H]3CCCc4c3cnn4CCO)c21 ZINC000832087518 603856712 /nfs/dbraw/zinc/85/67/12/603856712.db2.gz WUPPSWNUHCYCGX-INIZCTEOSA-N -1 1 356.426 2.083 20 0 FEADMM C[C@@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825075941 603892084 /nfs/dbraw/zinc/89/20/84/603892084.db2.gz OZVHSSODMUPPOG-GLEZIHRCSA-N -1 1 354.769 2.486 20 0 FEADMM O=C([O-])N1CCC(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000831878286 603969065 /nfs/dbraw/zinc/96/90/65/603969065.db2.gz FKAXBDHTTDMVDG-LSDHHAIUSA-N -1 1 354.472 2.262 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000827994675 604022630 /nfs/dbraw/zinc/02/26/30/604022630.db2.gz MTTXIUQTAFXSDX-INIZCTEOSA-N -1 1 366.437 2.212 20 0 FEADMM CN(CCNC(=O)CC1CCN(C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000828321020 604066839 /nfs/dbraw/zinc/06/68/39/604066839.db2.gz CJHFXDFOBXABRR-UHFFFAOYSA-N -1 1 351.422 2.154 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000825236143 604093326 /nfs/dbraw/zinc/09/33/26/604093326.db2.gz LMZNYIOKUZMNEO-QWHCGFSZSA-N -1 1 358.402 2.167 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)[nH]c2c1 ZINC000830432417 604096398 /nfs/dbraw/zinc/09/63/98/604096398.db2.gz GNDZMOMSKIHMIB-OLZOCXBDSA-N -1 1 359.430 2.449 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000825229832 604115114 /nfs/dbraw/zinc/11/51/14/604115114.db2.gz WBADZQUENCLFTR-NVXWUHKLSA-N -1 1 374.485 2.122 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)n2)cc1 ZINC000832907614 604280455 /nfs/dbraw/zinc/28/04/55/604280455.db2.gz DIXGVYQWPBBOSC-ZDUSSCGKSA-N -1 1 362.455 2.488 20 0 FEADMM O=C([O-])N[C@@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000740595827 604380342 /nfs/dbraw/zinc/38/03/42/604380342.db2.gz WAGNACCIMDKTQI-QZTJIDSGSA-N -1 1 356.422 2.435 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)c1C ZINC000832866569 604622124 /nfs/dbraw/zinc/62/21/24/604622124.db2.gz MJYPMBXQSLINHP-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM CS(=O)(=O)Nc1cccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000833737651 604672160 /nfs/dbraw/zinc/67/21/60/604672160.db2.gz JBNPNBGICWMPIO-QGZVFWFLSA-N -1 1 360.435 2.242 20 0 FEADMM CCC[C@](C)(NCC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)C(=O)[O-] ZINC000829193732 604673353 /nfs/dbraw/zinc/67/33/53/604673353.db2.gz GXCJSKTXVBRRAL-SFHVURJKSA-N -1 1 359.430 2.260 20 0 FEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000833619021 604721307 /nfs/dbraw/zinc/72/13/07/604721307.db2.gz AKAKJMORTBHFGQ-RKVPGOIHSA-N -1 1 360.454 2.028 20 0 FEADMM Cc1nc(C(C)(C)C)sc1[C@H](C)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830705157 604773562 /nfs/dbraw/zinc/77/35/62/604773562.db2.gz XKSBNTHIHHLNBJ-NSHDSACASA-N -1 1 368.503 2.222 20 0 FEADMM CCCc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cs1 ZINC000825352616 607716871 /nfs/dbraw/zinc/71/68/71/607716871.db2.gz OGHYYDKUVVMFIT-UHFFFAOYSA-N -1 1 367.438 2.342 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c(OC)c1C(=O)[O-] ZINC000833734791 604862096 /nfs/dbraw/zinc/86/20/96/604862096.db2.gz WZUXIKIWCVMOSP-UHFFFAOYSA-N -1 1 371.342 2.048 20 0 FEADMM C[C@]1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)Cc2ccccc2C(=O)O1 ZINC000833553802 604867171 /nfs/dbraw/zinc/86/71/71/604867171.db2.gz MTLZMVACSJSUNH-LJQANCHMSA-N -1 1 365.345 2.371 20 0 FEADMM O=C([O-])c1cncc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000833339606 604890244 /nfs/dbraw/zinc/89/02/44/604890244.db2.gz KXDWPJIQQWNTOL-UHFFFAOYSA-N -1 1 369.358 2.300 20 0 FEADMM CN(C(=O)c1csc(CNC(=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000827951244 604899094 /nfs/dbraw/zinc/89/90/94/604899094.db2.gz VJDBPXJSKYWCBK-AWEZNQCLSA-N -1 1 374.466 2.257 20 0 FEADMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833537299 604900177 /nfs/dbraw/zinc/90/01/77/604900177.db2.gz HZHMOJNEHVPHQI-LRDDRELGSA-N -1 1 359.426 2.287 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000833550487 604946285 /nfs/dbraw/zinc/94/62/85/604946285.db2.gz MYAARGYTXDSEED-IFXJQAMLSA-N -1 1 360.458 2.113 20 0 FEADMM C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833615192 605001129 /nfs/dbraw/zinc/00/11/29/605001129.db2.gz KBMWQAYHYHKKGJ-NSHDSACASA-N -1 1 360.863 2.191 20 0 FEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1C(=O)[O-])N1CCCCC1 ZINC000833459503 605016385 /nfs/dbraw/zinc/01/63/85/605016385.db2.gz DWFFGLCKLWXQNL-UHFFFAOYSA-N -1 1 358.435 2.067 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833611610 605026659 /nfs/dbraw/zinc/02/66/59/605026659.db2.gz OCLIECLAIGTXPT-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM CN(C)C[C@H]1CCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000324964484 605047805 /nfs/dbraw/zinc/04/78/05/605047805.db2.gz YERKAHNTKMZVJC-LLVKDONJSA-N -1 1 368.480 2.314 20 0 FEADMM Cc1ccc(C[C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)s1 ZINC000833748375 605053843 /nfs/dbraw/zinc/05/38/43/605053843.db2.gz JXMBUTWWTPTZKI-OLZOCXBDSA-N -1 1 353.488 2.178 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000833618290 605108556 /nfs/dbraw/zinc/10/85/56/605108556.db2.gz ADGJNCFAHXOYBQ-AGIUHOORSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833541124 605114548 /nfs/dbraw/zinc/11/45/48/605114548.db2.gz YXXFQXRZQBNQSJ-VXGBXAGGSA-N -1 1 372.824 2.254 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)ccc1OCC(=O)[O-] ZINC000833661672 605133833 /nfs/dbraw/zinc/13/38/33/605133833.db2.gz VCPSGQLTHDCHRC-KBPBESRZSA-N -1 1 364.442 2.103 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000833622689 605137616 /nfs/dbraw/zinc/13/76/16/605137616.db2.gz FWMMGSSSOCJIJN-CQSZACIVSA-N -1 1 372.425 2.032 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1Oc1cccnc1 ZINC000833623074 605158728 /nfs/dbraw/zinc/15/87/28/605158728.db2.gz DJIOTYOZQRUVMT-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c2cccnc12 ZINC000833734605 605166022 /nfs/dbraw/zinc/16/60/22/605166022.db2.gz PRFJQGNSGVDKJG-UHFFFAOYSA-N -1 1 359.363 2.137 20 0 FEADMM C[C@@H]1CN(C(=O)NCCSCC(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000833624698 605173383 /nfs/dbraw/zinc/17/33/83/605173383.db2.gz URMFDXMMBGRWOG-CABCVRRESA-N -1 1 365.499 2.109 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)N1CCCC[C@H]1C ZINC000833615833 605199676 /nfs/dbraw/zinc/19/96/76/605199676.db2.gz SMXUYFTXEHXJEK-NEPJUHHUSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)N1CCCC[C@@H]1C ZINC000833615835 605200148 /nfs/dbraw/zinc/20/01/48/605200148.db2.gz SMXUYFTXEHXJEK-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000833624635 605221152 /nfs/dbraw/zinc/22/11/52/605221152.db2.gz VQKRYJXXRMLLDC-CYBMUJFWSA-N -1 1 366.408 2.394 20 0 FEADMM C[C@H](CN(CC(=O)Nc1ccc(N2CCCCC2)nc1)C1CC1)C(=O)[O-] ZINC000833516116 605240036 /nfs/dbraw/zinc/24/00/36/605240036.db2.gz DQCPDYCNRKHZLG-CQSZACIVSA-N -1 1 360.458 2.196 20 0 FEADMM C[C@@]1(NS(=O)(=O)c2c(F)cc(F)cc2F)CCCC[C@H]1C(=O)[O-] ZINC000833567939 605244177 /nfs/dbraw/zinc/24/41/77/605244177.db2.gz ATIUATUEECKBEU-LKFCYVNXSA-N -1 1 351.346 2.416 20 0 FEADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCN1CCC(=O)[O-] ZINC000833618209 605255755 /nfs/dbraw/zinc/25/57/55/605255755.db2.gz LZHDPYAXHVVMQE-DAXOMENPSA-N -1 1 350.846 2.451 20 0 FEADMM COC(=O)c1ccc(N2CCN(C[C@@H]3CC(C(=O)[O-])=C(C)O3)[C@H](C)C2)cc1 ZINC000833716222 605331433 /nfs/dbraw/zinc/33/14/33/605331433.db2.gz WIQVXGHPIBPFBY-DYVFJYSZSA-N -1 1 374.437 2.131 20 0 FEADMM Cc1nc(CN(C)[C@H]2CCN(Cc3cccc4c3N(C(=O)[O-])CC4)C2)no1 ZINC000830745529 605397480 /nfs/dbraw/zinc/39/74/80/605397480.db2.gz AKXIOKPQIVWZSU-INIZCTEOSA-N -1 1 371.441 2.125 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000833996035 605409486 /nfs/dbraw/zinc/40/94/86/605409486.db2.gz ARSANXKNILIHAF-SFHVURJKSA-N -1 1 359.470 2.474 20 0 FEADMM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000832356363 605540151 /nfs/dbraw/zinc/54/01/51/605540151.db2.gz CCWRZUCRMZNLRV-RYUDHWBXSA-N -1 1 358.402 2.412 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)NCC2(NC(=O)[O-])CCCCCC2)n[nH]1 ZINC000830036736 605566821 /nfs/dbraw/zinc/56/68/21/605566821.db2.gz ZLUKRJSDAXWCAL-LBPRGKRZSA-N -1 1 351.451 2.309 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)n[nH]1 ZINC000830031475 605699515 /nfs/dbraw/zinc/69/95/15/605699515.db2.gz VQULTWBZQPMROP-JGGQBBKZSA-N -1 1 363.462 2.213 20 0 FEADMM O=C([O-])N1CCO[C@@H](CC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000833988701 605745764 /nfs/dbraw/zinc/74/57/64/605745764.db2.gz PLYBQOYQPOSONJ-VIFPVBQESA-N -1 1 372.303 2.289 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)NCC3CN(C(=O)[O-])C3)[nH]c2c1 ZINC000833907410 605769522 /nfs/dbraw/zinc/76/95/22/605769522.db2.gz IRSPQTYUKYLZTO-OAHLLOKOSA-N -1 1 357.414 2.328 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@H]3c4ccccc4CCN3C(=O)[O-])C2)n[nH]1 ZINC000830735025 605794651 /nfs/dbraw/zinc/79/46/51/605794651.db2.gz OZGJYPUNXLNIBD-GDBMZVCRSA-N -1 1 369.425 2.097 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000829904223 605831529 /nfs/dbraw/zinc/83/15/29/605831529.db2.gz JBWWKXYAGMCUEB-LLVKDONJSA-N -1 1 356.220 2.038 20 0 FEADMM Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1NC(=O)[O-] ZINC000829965856 605884029 /nfs/dbraw/zinc/88/40/29/605884029.db2.gz MKJYRRMPOJSLRB-UHFFFAOYSA-N -1 1 369.425 2.484 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cccc(Cl)n1 ZINC000822010276 606067419 /nfs/dbraw/zinc/06/74/19/606067419.db2.gz VZZSRXGFZDOTNA-UHFFFAOYSA-N -1 1 373.804 2.204 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ncc(C)o2)c1-c1nn[n-]n1 ZINC000821990522 606116775 /nfs/dbraw/zinc/11/67/75/606116775.db2.gz UDIJLXKZNZQNIW-UHFFFAOYSA-N -1 1 371.426 2.087 20 0 FEADMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000559082735 674527636 /nfs/dbraw/zinc/52/76/36/674527636.db2.gz GECGXCCWKPAXKP-UHFFFAOYSA-N -1 1 357.398 2.170 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc(Cl)cc1 ZINC000823027342 606135051 /nfs/dbraw/zinc/13/50/51/606135051.db2.gz RNHQXMMGEWGRKR-UHFFFAOYSA-N -1 1 363.786 2.377 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc(Cl)cc1 ZINC000823027342 606135052 /nfs/dbraw/zinc/13/50/52/606135052.db2.gz RNHQXMMGEWGRKR-UHFFFAOYSA-N -1 1 363.786 2.377 20 0 FEADMM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821430985 606154588 /nfs/dbraw/zinc/15/45/88/606154588.db2.gz JMYRIYSQWSQPFO-CYBMUJFWSA-N -1 1 370.417 2.272 20 0 FEADMM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821430985 606154590 /nfs/dbraw/zinc/15/45/90/606154590.db2.gz JMYRIYSQWSQPFO-CYBMUJFWSA-N -1 1 370.417 2.272 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000820380373 606159344 /nfs/dbraw/zinc/15/93/44/606159344.db2.gz RJEOGOUYZXNEPV-VALILCMLSA-N -1 1 370.461 2.327 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C12CC3CC(CC(C3)C1)C2 ZINC000820380373 606159346 /nfs/dbraw/zinc/15/93/46/606159346.db2.gz RJEOGOUYZXNEPV-VALILCMLSA-N -1 1 370.461 2.327 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2CCc2ccccc2)n1 ZINC000822608201 606162578 /nfs/dbraw/zinc/16/25/78/606162578.db2.gz ANXDEMNRFDVLOD-AWEZNQCLSA-N -1 1 366.429 2.229 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2CCc2ccccc2)n1 ZINC000822608201 606162580 /nfs/dbraw/zinc/16/25/80/606162580.db2.gz ANXDEMNRFDVLOD-AWEZNQCLSA-N -1 1 366.429 2.229 20 0 FEADMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820562548 606165320 /nfs/dbraw/zinc/16/53/20/606165320.db2.gz GQQDLNVNNNNCGS-SECBINFHSA-N -1 1 360.809 2.479 20 0 FEADMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820562548 606165321 /nfs/dbraw/zinc/16/53/21/606165321.db2.gz GQQDLNVNNNNCGS-SECBINFHSA-N -1 1 360.809 2.479 20 0 FEADMM CCC[C@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821022754 606169404 /nfs/dbraw/zinc/16/94/04/606169404.db2.gz UJDGMBLOLKDPFQ-CYBMUJFWSA-N -1 1 354.418 2.133 20 0 FEADMM CCC[C@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821022754 606169405 /nfs/dbraw/zinc/16/94/05/606169405.db2.gz UJDGMBLOLKDPFQ-CYBMUJFWSA-N -1 1 354.418 2.133 20 0 FEADMM O=C(OCc1noc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823445117 606178202 /nfs/dbraw/zinc/17/82/02/606178202.db2.gz SDYSLVMDHXEUHS-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1noc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823445117 606178203 /nfs/dbraw/zinc/17/82/03/606178203.db2.gz SDYSLVMDHXEUHS-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1 ZINC000820606800 606239927 /nfs/dbraw/zinc/23/99/27/606239927.db2.gz DWYPAQWNNPFMBC-UHFFFAOYSA-N -1 1 373.891 2.036 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1 ZINC000820606800 606239928 /nfs/dbraw/zinc/23/99/28/606239928.db2.gz DWYPAQWNNPFMBC-UHFFFAOYSA-N -1 1 373.891 2.036 20 0 FEADMM Cc1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)sn1 ZINC000810191548 674536382 /nfs/dbraw/zinc/53/63/82/674536382.db2.gz BBEQZBYOTZYDPX-VIFPVBQESA-N -1 1 350.366 2.374 20 0 FEADMM Clc1ccc(N2CCOC[C@H]2Cc2ccccc2)nc1-c1nnn[n-]1 ZINC000822578344 606428024 /nfs/dbraw/zinc/42/80/24/606428024.db2.gz HMKFHPWLRKAMFA-CYBMUJFWSA-N -1 1 356.817 2.363 20 0 FEADMM Clc1ccc(N2CCOC[C@H]2Cc2ccccc2)nc1-c1nn[n-]n1 ZINC000822578344 606428027 /nfs/dbraw/zinc/42/80/27/606428027.db2.gz HMKFHPWLRKAMFA-CYBMUJFWSA-N -1 1 356.817 2.363 20 0 FEADMM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(C)c1 ZINC000820908699 606448377 /nfs/dbraw/zinc/44/83/77/606448377.db2.gz PLKKDMGPGRNGCB-AWEZNQCLSA-N -1 1 352.398 2.158 20 0 FEADMM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(C)c1 ZINC000820908699 606448379 /nfs/dbraw/zinc/44/83/79/606448379.db2.gz PLKKDMGPGRNGCB-AWEZNQCLSA-N -1 1 352.398 2.158 20 0 FEADMM CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000819899530 606464278 /nfs/dbraw/zinc/46/42/78/606464278.db2.gz WEMYEBVHNZNZBU-SNVBAGLBSA-N -1 1 363.853 2.046 20 0 FEADMM CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000819899530 606464279 /nfs/dbraw/zinc/46/42/79/606464279.db2.gz WEMYEBVHNZNZBU-SNVBAGLBSA-N -1 1 363.853 2.046 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000823436008 606518151 /nfs/dbraw/zinc/51/81/51/606518151.db2.gz DMWOEHXLXPAGAF-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000823436008 606518154 /nfs/dbraw/zinc/51/81/54/606518154.db2.gz DMWOEHXLXPAGAF-UHFFFAOYSA-N -1 1 360.171 2.381 20 0 FEADMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820536719 606532129 /nfs/dbraw/zinc/53/21/29/606532129.db2.gz WYMXFZWTVMWVHX-SNVBAGLBSA-N -1 1 355.402 2.293 20 0 FEADMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820536719 606532131 /nfs/dbraw/zinc/53/21/31/606532131.db2.gz WYMXFZWTVMWVHX-SNVBAGLBSA-N -1 1 355.402 2.293 20 0 FEADMM COc1ccc(CCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821790125 606536264 /nfs/dbraw/zinc/53/62/64/606536264.db2.gz IINWYMUUHSZNCG-UHFFFAOYSA-N -1 1 373.438 2.308 20 0 FEADMM COc1ccc(CCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821790125 606536266 /nfs/dbraw/zinc/53/62/66/606536266.db2.gz IINWYMUUHSZNCG-UHFFFAOYSA-N -1 1 373.438 2.308 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2ccccc2F)C1 ZINC000823484259 606548326 /nfs/dbraw/zinc/54/83/26/606548326.db2.gz VISBYMDDJNEIPW-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2ccccc2F)C1 ZINC000823484259 606548328 /nfs/dbraw/zinc/54/83/28/606548328.db2.gz VISBYMDDJNEIPW-LBPRGKRZSA-N -1 1 359.386 2.281 20 0 FEADMM O=C(NCc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823270161 606570742 /nfs/dbraw/zinc/57/07/42/606570742.db2.gz ZIFGYUYBWTZDGH-UHFFFAOYSA-N -1 1 360.346 2.334 20 0 FEADMM O=C(NCc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823270161 606570744 /nfs/dbraw/zinc/57/07/44/606570744.db2.gz ZIFGYUYBWTZDGH-UHFFFAOYSA-N -1 1 360.346 2.334 20 0 FEADMM CCc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821486818 606577715 /nfs/dbraw/zinc/57/77/15/606577715.db2.gz MYDNQYSIYUKZQM-UHFFFAOYSA-N -1 1 368.466 2.453 20 0 FEADMM CCc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821486818 606577716 /nfs/dbraw/zinc/57/77/16/606577716.db2.gz MYDNQYSIYUKZQM-UHFFFAOYSA-N -1 1 368.466 2.453 20 0 FEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823298944 606592170 /nfs/dbraw/zinc/59/21/70/606592170.db2.gz AFPLUBPKFHOIMD-UHFFFAOYSA-N -1 1 353.367 2.276 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(-c2ccco2)s1 ZINC000823436330 606647582 /nfs/dbraw/zinc/64/75/82/606647582.db2.gz QDMXMLQQJIJSEW-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(-c2ccco2)s1 ZINC000823436330 606647583 /nfs/dbraw/zinc/64/75/83/606647583.db2.gz QDMXMLQQJIJSEW-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM CC(C)c1ncc(Cl)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000820206333 606649972 /nfs/dbraw/zinc/64/99/72/606649972.db2.gz IIVBYOWAXMEMHB-UHFFFAOYSA-N -1 1 359.777 2.186 20 0 FEADMM CC(C)c1ncc(Cl)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000820206333 606649973 /nfs/dbraw/zinc/64/99/73/606649973.db2.gz IIVBYOWAXMEMHB-UHFFFAOYSA-N -1 1 359.777 2.186 20 0 FEADMM Cc1nc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)no1 ZINC000822444805 606656880 /nfs/dbraw/zinc/65/68/80/606656880.db2.gz ZZYLNRXECLMGPZ-UHFFFAOYSA-N -1 1 350.342 2.358 20 0 FEADMM CCOc1cccc(CCNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000821427250 606721025 /nfs/dbraw/zinc/72/10/25/606721025.db2.gz PQVRPAOAJCVMAW-UHFFFAOYSA-N -1 1 351.823 2.425 20 0 FEADMM CCOc1cccc(CCNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000821427250 606721026 /nfs/dbraw/zinc/72/10/26/606721026.db2.gz PQVRPAOAJCVMAW-UHFFFAOYSA-N -1 1 351.823 2.425 20 0 FEADMM CN(C1CCCCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821592514 606841089 /nfs/dbraw/zinc/84/10/89/606841089.db2.gz JLUUIBFMUHWYST-UHFFFAOYSA-N -1 1 353.423 2.349 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000810516172 674548219 /nfs/dbraw/zinc/54/82/19/674548219.db2.gz HGSKLCUIAQFKCB-QGZVFWFLSA-N -1 1 356.463 2.321 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000820438570 606889880 /nfs/dbraw/zinc/88/98/80/606889880.db2.gz SDLZQSLRMATORM-SECBINFHSA-N -1 1 365.365 2.184 20 0 FEADMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)c(O[C@H]2CCOC2)c1 ZINC000822238548 606948137 /nfs/dbraw/zinc/94/81/37/606948137.db2.gz LVFKGVRXARGYFW-AWEZNQCLSA-N -1 1 352.398 2.350 20 0 FEADMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)c(O[C@H]2CCOC2)c1 ZINC000822238548 606948138 /nfs/dbraw/zinc/94/81/38/606948138.db2.gz LVFKGVRXARGYFW-AWEZNQCLSA-N -1 1 352.398 2.350 20 0 FEADMM Cc1nn(C)cc1[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000822496096 607047973 /nfs/dbraw/zinc/04/79/73/607047973.db2.gz AAFDUTWCQLBPLC-SECBINFHSA-N -1 1 350.839 2.360 20 0 FEADMM Cc1nn(C)cc1[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000822496096 607047974 /nfs/dbraw/zinc/04/79/74/607047974.db2.gz AAFDUTWCQLBPLC-SECBINFHSA-N -1 1 350.839 2.360 20 0 FEADMM O=S(=O)([N-]c1cccc(OCCF)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000823588875 607113497 /nfs/dbraw/zinc/11/34/97/607113497.db2.gz DIKBNPJVVJCNMP-UHFFFAOYSA-N -1 1 363.374 2.016 20 0 FEADMM CCCC1(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000821034883 607131696 /nfs/dbraw/zinc/13/16/96/607131696.db2.gz VYMDGSNLIMFRQA-UHFFFAOYSA-N -1 1 358.446 2.213 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@@H](C2CCOCC2)C1 ZINC000826522854 607851663 /nfs/dbraw/zinc/85/16/63/607851663.db2.gz RCVABERJIBACPW-CYBMUJFWSA-N -1 1 351.414 2.063 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@@H](C2CCOCC2)C1 ZINC000826522854 607851664 /nfs/dbraw/zinc/85/16/64/607851664.db2.gz RCVABERJIBACPW-CYBMUJFWSA-N -1 1 351.414 2.063 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccccc1Cl ZINC000826493719 607868172 /nfs/dbraw/zinc/86/81/72/607868172.db2.gz ZJSRNJVDJQKELI-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccccc1Cl ZINC000826493719 607868173 /nfs/dbraw/zinc/86/81/73/607868173.db2.gz ZJSRNJVDJQKELI-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM C[C@@H]1CN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000824994867 607896352 /nfs/dbraw/zinc/89/63/52/607896352.db2.gz WFIUDHQAONJUCX-TXEJJXNPSA-N -1 1 352.402 2.014 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000826131966 608007332 /nfs/dbraw/zinc/00/73/32/608007332.db2.gz AJQDFILUYVYNBW-NSHDSACASA-N -1 1 369.406 2.235 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000826131966 608007333 /nfs/dbraw/zinc/00/73/33/608007333.db2.gz AJQDFILUYVYNBW-NSHDSACASA-N -1 1 369.406 2.235 20 0 FEADMM O=C(CCCn1ccnc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000826406771 608012997 /nfs/dbraw/zinc/01/29/97/608012997.db2.gz LWFCNMDQNQHRAS-UHFFFAOYSA-N -1 1 361.203 2.489 20 0 FEADMM O=C(CCCn1ccnc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000826406771 608012998 /nfs/dbraw/zinc/01/29/98/608012998.db2.gz LWFCNMDQNQHRAS-UHFFFAOYSA-N -1 1 361.203 2.489 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)Cn3ccnc3-c3nnn[n-]3)c2)cs1 ZINC000826323298 608014427 /nfs/dbraw/zinc/01/44/27/608014427.db2.gz YVNUIMFWUJSFPT-UHFFFAOYSA-N -1 1 366.410 2.134 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)Cn3ccnc3-c3nn[n-]n3)c2)cs1 ZINC000826323298 608014428 /nfs/dbraw/zinc/01/44/28/608014428.db2.gz YVNUIMFWUJSFPT-UHFFFAOYSA-N -1 1 366.410 2.134 20 0 FEADMM Clc1ccc(N2CC[C@@H](OCc3ccccn3)C2)nc1-c1nnn[n-]1 ZINC000826352141 608016365 /nfs/dbraw/zinc/01/63/65/608016365.db2.gz PCBVHBDXQMSOQC-GFCCVEGCSA-N -1 1 357.805 2.106 20 0 FEADMM Clc1ccc(N2CC[C@@H](OCc3ccccn3)C2)nc1-c1nn[n-]n1 ZINC000826352141 608016366 /nfs/dbraw/zinc/01/63/66/608016366.db2.gz PCBVHBDXQMSOQC-GFCCVEGCSA-N -1 1 357.805 2.106 20 0 FEADMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824968998 608106372 /nfs/dbraw/zinc/10/63/72/608106372.db2.gz RYYAHIHXEUIQNM-QMTHXVAHSA-N -1 1 352.402 2.045 20 0 FEADMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824968998 608106373 /nfs/dbraw/zinc/10/63/73/608106373.db2.gz RYYAHIHXEUIQNM-QMTHXVAHSA-N -1 1 352.402 2.045 20 0 FEADMM CN(C[C@@H]1CC=CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825909528 608124646 /nfs/dbraw/zinc/12/46/46/608124646.db2.gz ZXBGMLZFGCVYBV-LLVKDONJSA-N -1 1 367.862 2.497 20 0 FEADMM CN(C[C@@H]1CC=CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825909528 608124647 /nfs/dbraw/zinc/12/46/47/608124647.db2.gz ZXBGMLZFGCVYBV-LLVKDONJSA-N -1 1 367.862 2.497 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000825000197 608236349 /nfs/dbraw/zinc/23/63/49/608236349.db2.gz NXIKKNQVWJJRTA-VXGBXAGGSA-N -1 1 359.434 2.096 20 0 FEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000825000197 608236351 /nfs/dbraw/zinc/23/63/51/608236351.db2.gz NXIKKNQVWJJRTA-VXGBXAGGSA-N -1 1 359.434 2.096 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826098875 608238215 /nfs/dbraw/zinc/23/82/15/608238215.db2.gz SCVJRYAXTYZZIS-MRVPVSSYSA-N -1 1 370.866 2.392 20 0 FEADMM COC(=O)C(C)(C)[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826098875 608238217 /nfs/dbraw/zinc/23/82/17/608238217.db2.gz SCVJRYAXTYZZIS-MRVPVSSYSA-N -1 1 370.866 2.392 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826523610 608297183 /nfs/dbraw/zinc/29/71/83/608297183.db2.gz ROLQBFJVRBVQPS-UONOGXRCSA-N -1 1 365.441 2.453 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826523610 608297185 /nfs/dbraw/zinc/29/71/85/608297185.db2.gz ROLQBFJVRBVQPS-UONOGXRCSA-N -1 1 365.441 2.453 20 0 FEADMM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC[C@@H]1C ZINC000824961585 608341848 /nfs/dbraw/zinc/34/18/48/608341848.db2.gz DJKNCKZFTXMBCO-UWVGGRQHSA-N -1 1 355.851 2.187 20 0 FEADMM O=C(c1cc(F)ccc1F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826470451 608400625 /nfs/dbraw/zinc/40/06/25/608400625.db2.gz QLGFDMHLTDVAAE-UHFFFAOYSA-N -1 1 371.351 2.034 20 0 FEADMM O=C(c1cc(F)ccc1F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826470451 608400627 /nfs/dbraw/zinc/40/06/27/608400627.db2.gz QLGFDMHLTDVAAE-UHFFFAOYSA-N -1 1 371.351 2.034 20 0 FEADMM Fc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(Br)c1 ZINC000826374577 608404022 /nfs/dbraw/zinc/40/40/22/608404022.db2.gz DZPLMORBGGZKMS-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(Br)c1 ZINC000826374577 608404024 /nfs/dbraw/zinc/40/40/24/608404024.db2.gz DZPLMORBGGZKMS-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824236948 608416041 /nfs/dbraw/zinc/41/60/41/608416041.db2.gz PZMBGZGFCRUIET-NSHDSACASA-N -1 1 362.438 2.008 20 0 FEADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824236948 608416043 /nfs/dbraw/zinc/41/60/43/608416043.db2.gz PZMBGZGFCRUIET-NSHDSACASA-N -1 1 362.438 2.008 20 0 FEADMM C[C@@H](Cc1ccccc1Br)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824457711 608432546 /nfs/dbraw/zinc/43/25/46/608432546.db2.gz QTGHIPZTNFGBKL-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM C[C@@H](Cc1ccccc1Br)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824457711 608432547 /nfs/dbraw/zinc/43/25/47/608432547.db2.gz QTGHIPZTNFGBKL-VIFPVBQESA-N -1 1 360.219 2.462 20 0 FEADMM O=S1(=O)CCC(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000826497039 608553128 /nfs/dbraw/zinc/55/31/28/608553128.db2.gz RZXNVLLYBLIIPJ-UHFFFAOYSA-N -1 1 372.454 2.042 20 0 FEADMM O=S1(=O)CCC(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000826497039 608553130 /nfs/dbraw/zinc/55/31/30/608553130.db2.gz RZXNVLLYBLIIPJ-UHFFFAOYSA-N -1 1 372.454 2.042 20 0 FEADMM Cc1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c(C)o1 ZINC000826258560 608612912 /nfs/dbraw/zinc/61/29/12/608612912.db2.gz OKAWFBKSBIPJDH-UHFFFAOYSA-N -1 1 372.454 2.096 20 0 FEADMM CC[C@@H](C)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccn1 ZINC000825074400 609259167 /nfs/dbraw/zinc/25/91/67/609259167.db2.gz HXNKUXOSKHVUGZ-SNVBAGLBSA-N -1 1 358.427 2.431 20 0 FEADMM CC[C@@H](C)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccn1 ZINC000825074400 609259170 /nfs/dbraw/zinc/25/91/70/609259170.db2.gz HXNKUXOSKHVUGZ-SNVBAGLBSA-N -1 1 358.427 2.431 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CC=CCC1 ZINC000826458052 609357397 /nfs/dbraw/zinc/35/73/97/609357397.db2.gz APGYUSHCAWLMHX-NSHDSACASA-N -1 1 368.376 2.422 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c1 ZINC000559806633 674556693 /nfs/dbraw/zinc/55/66/93/674556693.db2.gz FRJJVFZNXWUDFB-UHFFFAOYSA-N -1 1 359.411 2.170 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cc(Cl)ccc1F ZINC000560011834 674563645 /nfs/dbraw/zinc/56/36/45/674563645.db2.gz MRGORKRDUOPIBO-UHFFFAOYSA-N -1 1 371.756 2.395 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)n1 ZINC000811678717 674620268 /nfs/dbraw/zinc/62/02/68/674620268.db2.gz HJDOLIULENNEAB-UHFFFAOYSA-N -1 1 362.333 2.118 20 0 FEADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3n[nH]cc3Br)ccc21 ZINC000562262241 674734604 /nfs/dbraw/zinc/73/46/04/674734604.db2.gz JYGBTAOTGPPQKF-UHFFFAOYSA-N -1 1 370.228 2.492 20 0 FEADMM COc1cc(F)c(F)cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000562233909 674731202 /nfs/dbraw/zinc/73/12/02/674731202.db2.gz LGGHQJKSGARFLA-UHFFFAOYSA-N -1 1 357.334 2.401 20 0 FEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000562409150 674752433 /nfs/dbraw/zinc/75/24/33/674752433.db2.gz COCNIKSYBLOWPP-HNNXBMFYSA-N -1 1 364.471 2.223 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[C@@H](c3ccccc3)O2)o1 ZINC000814061453 674814899 /nfs/dbraw/zinc/81/48/99/674814899.db2.gz PKQCWJUOFGGKAD-KBPBESRZSA-N -1 1 365.407 2.265 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(F)cc2Cl)C(=O)[N-]C1=S ZINC000814345752 674832683 /nfs/dbraw/zinc/83/26/83/674832683.db2.gz RLNWPIGIPCTKNC-XYOKQWHBSA-N -1 1 371.821 2.055 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccc(C)o1 ZINC000814387628 674838073 /nfs/dbraw/zinc/83/80/73/674838073.db2.gz XCXSHIMYDVVIIC-JTQLQIEISA-N -1 1 371.802 2.444 20 0 FEADMM Cn1c(Cl)ncc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000815068668 674910449 /nfs/dbraw/zinc/91/04/49/674910449.db2.gz YLOQHJCUAVCWSP-LURJTMIESA-N -1 1 360.770 2.112 20 0 FEADMM NC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccccc1 ZINC000815078549 674912846 /nfs/dbraw/zinc/91/28/46/674912846.db2.gz CFJARIXMWPVHHO-LLVKDONJSA-N -1 1 374.249 2.283 20 0 FEADMM Cn1[n-]c(CN2CCCC[C@@H]2Cc2ccccc2Br)nc1=O ZINC000563817249 674942201 /nfs/dbraw/zinc/94/22/01/674942201.db2.gz HIFJQSOPEWEYQY-CYBMUJFWSA-N -1 1 365.275 2.468 20 0 FEADMM CSc1n[nH]c([N-]S(=O)(=O)Cc2ccccc2Br)n1 ZINC000564128715 674975733 /nfs/dbraw/zinc/97/57/33/674975733.db2.gz FOBPNFKEVRATJQ-UHFFFAOYSA-N -1 1 363.262 2.231 20 0 FEADMM O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1c(F)ccc([O-])c1F ZINC000564317708 674994414 /nfs/dbraw/zinc/99/44/14/674994414.db2.gz HYVFQZNHFONRHW-UHFFFAOYSA-N -1 1 359.325 2.013 20 0 FEADMM CO[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CCO1 ZINC000816312998 675046254 /nfs/dbraw/zinc/04/62/54/675046254.db2.gz CXVWMZPCZZUQOF-AWEZNQCLSA-N -1 1 352.387 2.184 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(C)c(Cl)c2)C(=O)[N-]C1=S ZINC000009771483 669984750 /nfs/dbraw/zinc/98/47/50/669984750.db2.gz YNHNRMLAYWFSPX-RAXLEYEMSA-N -1 1 367.858 2.224 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2N2CCCC2)cc1 ZINC000014096937 670007143 /nfs/dbraw/zinc/00/71/43/670007143.db2.gz YQXRHXYPEFNYMO-UHFFFAOYSA-N -1 1 359.451 2.495 20 0 FEADMM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000023566955 670049831 /nfs/dbraw/zinc/04/98/31/670049831.db2.gz OURZCBNWQONPCB-SECBINFHSA-N -1 1 352.749 2.413 20 0 FEADMM C[C@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC#N)cc2)cc1 ZINC000028119964 670087113 /nfs/dbraw/zinc/08/71/13/670087113.db2.gz GWTDCSMXNHPNLM-LBPRGKRZSA-N -1 1 360.391 2.221 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000816740752 675076203 /nfs/dbraw/zinc/07/62/03/675076203.db2.gz MYGIHGLEUXVVDW-UHFFFAOYSA-N -1 1 364.818 2.263 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CC2(Cl)Cl)c(=O)[n-]1 ZINC000030473216 670111068 /nfs/dbraw/zinc/11/10/68/670111068.db2.gz GRLPCWMARBCHIA-QMMMGPOBSA-N -1 1 350.271 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2cc(C)cc(C)c2)o1 ZINC000042264109 670160542 /nfs/dbraw/zinc/16/05/42/670160542.db2.gz ADSZRNJFZQCPGN-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000042665806 670167007 /nfs/dbraw/zinc/16/70/07/670167007.db2.gz NLKOLQCPXPXSRF-UHFFFAOYSA-N -1 1 365.354 2.308 20 0 FEADMM COCCCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000044351766 670189564 /nfs/dbraw/zinc/18/95/64/670189564.db2.gz GLVXBMHEANVOIY-UHFFFAOYSA-N -1 1 357.657 2.202 20 0 FEADMM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000045797971 670209439 /nfs/dbraw/zinc/20/94/39/670209439.db2.gz IPLYEJHKRZKHRW-UHFFFAOYSA-N -1 1 367.862 2.100 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c2cccnc12 ZINC000047251942 670237455 /nfs/dbraw/zinc/23/74/55/670237455.db2.gz BVJJSXIHTRNNFX-UHFFFAOYSA-N -1 1 357.391 2.143 20 0 FEADMM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1OC ZINC000047670849 670247574 /nfs/dbraw/zinc/24/75/74/670247574.db2.gz WHHCDCLUHWFODG-UHFFFAOYSA-N -1 1 370.358 2.230 20 0 FEADMM CN(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000048076993 670257093 /nfs/dbraw/zinc/25/70/93/670257093.db2.gz SBLAJGRSZBZDTF-UHFFFAOYSA-N -1 1 351.428 2.024 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N[C@@H](C)C(C)C ZINC000052171384 670309544 /nfs/dbraw/zinc/30/95/44/670309544.db2.gz DJLYGYXHPFJWDM-ZDUSSCGKSA-N -1 1 370.471 2.156 20 0 FEADMM CCOC(=O)[C@@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000054197854 670333348 /nfs/dbraw/zinc/33/33/48/670333348.db2.gz BPXQOQCPCHOENL-GFCCVEGCSA-N -1 1 362.455 2.374 20 0 FEADMM Cc1ccc(/C=C/S(=O)(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000055546309 670352074 /nfs/dbraw/zinc/35/20/74/670352074.db2.gz GPVVKEUHNKDILN-MDZDMXLPSA-N -1 1 361.379 2.138 20 0 FEADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000055637680 670353234 /nfs/dbraw/zinc/35/32/34/670353234.db2.gz GOCJKBLRRFAPER-UHFFFAOYSA-N -1 1 364.379 2.452 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1F ZINC000055679097 670354174 /nfs/dbraw/zinc/35/41/74/670354174.db2.gz HFWOQDVABQQKPI-UHFFFAOYSA-N -1 1 366.414 2.472 20 0 FEADMM Cc1nnc(N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)nc1C ZINC000817131753 675100770 /nfs/dbraw/zinc/10/07/70/675100770.db2.gz NVLTYAWJVDNDAE-LBPRGKRZSA-N -1 1 351.332 2.230 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC)C(C)(C)C ZINC000817135558 675101970 /nfs/dbraw/zinc/10/19/70/675101970.db2.gz LEYWZSYOSFFTQC-JKSUJKDBSA-N -1 1 371.499 2.141 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nnsc1Cl ZINC000062295159 670400090 /nfs/dbraw/zinc/40/00/90/670400090.db2.gz KEDMSOALWFGTGD-UHFFFAOYSA-N -1 1 361.832 2.310 20 0 FEADMM CCn1cc(Br)cc1C(=O)NCc1n[n-]c(=S)n1CC ZINC000066636920 670445084 /nfs/dbraw/zinc/44/50/84/670445084.db2.gz YJNCSGAXEQEHTM-UHFFFAOYSA-N -1 1 358.265 2.474 20 0 FEADMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1n[n-]c(=S)n1C ZINC000066625727 670445181 /nfs/dbraw/zinc/44/51/81/670445181.db2.gz JXDRCBQANALJRJ-SNVBAGLBSA-N -1 1 359.459 2.432 20 0 FEADMM CC(C)n1c(CCNC(=O)CCc2nc(C(C)(C)C)no2)n[n-]c1=S ZINC000067074775 670452813 /nfs/dbraw/zinc/45/28/13/670452813.db2.gz NLOXFEYHPFZXJC-UHFFFAOYSA-N -1 1 366.491 2.494 20 0 FEADMM CCn1c(CCNC(=O)[C@@H](c2ccccc2)n2cccn2)n[n-]c1=S ZINC000067077361 670452828 /nfs/dbraw/zinc/45/28/28/670452828.db2.gz WVBGHDMZZBHHMV-OAHLLOKOSA-N -1 1 356.455 2.105 20 0 FEADMM CCn1c(CCNC(=O)Cc2cnn(-c3ccccc3)c2)n[n-]c1=S ZINC000067075904 670452839 /nfs/dbraw/zinc/45/28/39/670452839.db2.gz BVYITLLDIKTXJI-UHFFFAOYSA-N -1 1 356.455 2.048 20 0 FEADMM O=S(=O)([N-]N=c1nccc[nH]1)c1cc(Br)ccc1Cl ZINC000067890610 670462521 /nfs/dbraw/zinc/46/25/21/670462521.db2.gz XQUYRYNZTZUMDO-UHFFFAOYSA-N -1 1 363.624 2.198 20 0 FEADMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000067898386 670462752 /nfs/dbraw/zinc/46/27/52/670462752.db2.gz WPGJEQKYLFIQDF-SECBINFHSA-N -1 1 360.351 2.300 20 0 FEADMM Cc1nn(C)cc1CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817292602 675118254 /nfs/dbraw/zinc/11/82/54/675118254.db2.gz IFSPYPBJRQKPTE-CQSZACIVSA-N -1 1 352.360 2.338 20 0 FEADMM C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1nc(-c2ccccc2)cs1 ZINC000080108124 670616570 /nfs/dbraw/zinc/61/65/70/670616570.db2.gz AXSQHQFZLGNISY-CABZTGNLSA-N -1 1 360.464 2.334 20 0 FEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1sc(N)nc1[O-] ZINC000080211532 670619029 /nfs/dbraw/zinc/61/90/29/670619029.db2.gz XPXVJVFVQROMCX-GZMMTYOYSA-N -1 1 359.373 2.099 20 0 FEADMM O=S(=O)([N-]Cc1ccon1)c1cc(Br)c(F)cc1F ZINC000080830378 670632094 /nfs/dbraw/zinc/63/20/94/670632094.db2.gz LHCKJFNOAVLQAQ-UHFFFAOYSA-N -1 1 353.144 2.194 20 0 FEADMM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cscn2)CC1 ZINC000569972321 670642744 /nfs/dbraw/zinc/64/27/44/670642744.db2.gz YPBURDXUOXZADO-UHFFFAOYSA-N -1 1 372.903 2.349 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ncco3)c2C)o1 ZINC000570267081 670686975 /nfs/dbraw/zinc/68/69/75/670686975.db2.gz BRQNQBVBVSPHDQ-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089125878 670694992 /nfs/dbraw/zinc/69/49/92/670694992.db2.gz FOGQZILXSFZXRR-UONOGXRCSA-N -1 1 366.512 2.430 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1ccc(CO)o1)C(F)(F)F ZINC000817417234 675130954 /nfs/dbraw/zinc/13/09/54/675130954.db2.gz ICJYDQNXDYDADJ-GFCCVEGCSA-N -1 1 354.328 2.382 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1ccc(CO)o1)C(F)(F)F ZINC000817417235 675131058 /nfs/dbraw/zinc/13/10/58/675131058.db2.gz ICJYDQNXDYDADJ-LBPRGKRZSA-N -1 1 354.328 2.382 20 0 FEADMM CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(I)c([O-])c2)C1 ZINC000570504209 670723950 /nfs/dbraw/zinc/72/39/50/670723950.db2.gz BRLKCIYVRUFTNL-AOOOYVTPSA-N -1 1 361.179 2.246 20 0 FEADMM COC[C@H](C)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489519 675137862 /nfs/dbraw/zinc/13/78/62/675137862.db2.gz CFJIQPUZIGDSTN-DGCLKSJQSA-N -1 1 358.360 2.295 20 0 FEADMM CC(C)Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000817571935 675148270 /nfs/dbraw/zinc/14/82/70/675148270.db2.gz WWOXILISGKYCSZ-LLVKDONJSA-N -1 1 372.208 2.283 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000571664245 670908485 /nfs/dbraw/zinc/90/84/85/670908485.db2.gz DXWZCKIKUUJOPD-UHFFFAOYSA-N -1 1 352.387 2.065 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCn2c(C)nc3ccccc32)sc1C ZINC000571721137 670916645 /nfs/dbraw/zinc/91/66/45/670916645.db2.gz AIJVAGCAHJGZHW-UHFFFAOYSA-N -1 1 350.469 2.397 20 0 FEADMM CC(C)(NC(=O)[C@@H]1CCc2cc(Br)ccc21)c1nn[n-]n1 ZINC000571923044 670940656 /nfs/dbraw/zinc/94/06/56/670940656.db2.gz JRJRASNNOZKKPE-LLVKDONJSA-N -1 1 350.220 2.044 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000571924646 670941102 /nfs/dbraw/zinc/94/11/02/670941102.db2.gz HBOYKKLNLCCVLO-GXSJLCMTSA-N -1 1 361.345 2.418 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000571944177 670942965 /nfs/dbraw/zinc/94/29/65/670942965.db2.gz BZGTXQZAUNFRTF-XYAOECAESA-N -1 1 355.364 2.454 20 0 FEADMM CC(C)(O)CCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817675080 675160164 /nfs/dbraw/zinc/16/01/64/675160164.db2.gz LJCNIXVUHWMMEO-LBPRGKRZSA-N -1 1 358.360 2.174 20 0 FEADMM O=C(NCC1(O)CCC1)c1c([O-])cnc2c(Br)cccc21 ZINC000573411710 671118626 /nfs/dbraw/zinc/11/86/26/671118626.db2.gz PKOCUSHTEZTFFI-UHFFFAOYSA-N -1 1 351.200 2.348 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3CO2)o1 ZINC000573474925 671127441 /nfs/dbraw/zinc/12/74/41/671127441.db2.gz NONSWROOPNRPPQ-UHFFFAOYSA-N -1 1 364.423 2.444 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000573656680 671148471 /nfs/dbraw/zinc/14/84/71/671148471.db2.gz HBBVBMPRAIYLRL-LLVKDONJSA-N -1 1 361.423 2.172 20 0 FEADMM O=C(CN1CCC(c2ccc(Cl)cc2Cl)CC1)Nc1nnn[n-]1 ZINC000566055206 675176376 /nfs/dbraw/zinc/17/63/76/675176376.db2.gz XBWJWNKGQNMDIJ-UHFFFAOYSA-N -1 1 355.229 2.325 20 0 FEADMM O=C(CN1CCC(c2ccc(Cl)cc2Cl)CC1)Nc1nn[n-]n1 ZINC000566055206 675176377 /nfs/dbraw/zinc/17/63/77/675176377.db2.gz XBWJWNKGQNMDIJ-UHFFFAOYSA-N -1 1 355.229 2.325 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000575188055 671304249 /nfs/dbraw/zinc/30/42/49/671304249.db2.gz ICQJUDMJWFVMLY-OAHLLOKOSA-N -1 1 368.231 2.249 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000575838898 671324550 /nfs/dbraw/zinc/32/45/50/671324550.db2.gz VJPOVDRMCOBGJF-GFCCVEGCSA-N -1 1 367.471 2.652 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000575838904 671324590 /nfs/dbraw/zinc/32/45/90/671324590.db2.gz VUEBNAQMRXHTKP-QMMMGPOBSA-N -1 1 364.210 2.284 20 0 FEADMM Cc1cc(Br)cc(Cl)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000576332760 671361167 /nfs/dbraw/zinc/36/11/67/671361167.db2.gz RXUHVZAVKONRJN-UHFFFAOYSA-N -1 1 356.611 2.343 20 0 FEADMM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)O1 ZINC000566223579 675195596 /nfs/dbraw/zinc/19/55/96/675195596.db2.gz GOMKVAQSWLZPFJ-DTWKUNHWSA-N -1 1 364.579 2.379 20 0 FEADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000576417156 671367173 /nfs/dbraw/zinc/36/71/73/671367173.db2.gz QLNIUAPYFMNBHK-SNVBAGLBSA-N -1 1 362.411 2.041 20 0 FEADMM Nc1cc(Br)ccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000576941007 671405985 /nfs/dbraw/zinc/40/59/85/671405985.db2.gz RHZHMQPEKVGBMF-UHFFFAOYSA-N -1 1 367.203 2.140 20 0 FEADMM CC(C)CN(C(=O)CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)C(C)C ZINC000577814553 671621385 /nfs/dbraw/zinc/62/13/85/671621385.db2.gz BMYXVEGRPONBDS-UHFFFAOYSA-N -1 1 364.471 2.138 20 0 FEADMM CC(C)CN(C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)C(C)C ZINC000577814553 671621387 /nfs/dbraw/zinc/62/13/87/671621387.db2.gz BMYXVEGRPONBDS-UHFFFAOYSA-N -1 1 364.471 2.138 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C(C)C)C2(CO)CCC2)c(=O)[n-]1 ZINC000579529407 671742398 /nfs/dbraw/zinc/74/23/98/671742398.db2.gz AFFQTDQMNGMZOX-HNNXBMFYSA-N -1 1 367.515 2.449 20 0 FEADMM C[C@@H]1C[C@@H](C)N1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579655933 671750651 /nfs/dbraw/zinc/75/06/51/671750651.db2.gz PFGPBVQSXBBUGZ-RKDXNWHRSA-N -1 1 351.255 2.281 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1F ZINC000579658149 671751083 /nfs/dbraw/zinc/75/10/83/671751083.db2.gz UXDQJECNHCXRQG-UHFFFAOYSA-N -1 1 366.296 2.327 20 0 FEADMM O=C([O-])[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)CC1CC1 ZINC000650430086 677373649 /nfs/dbraw/zinc/37/36/49/677373649.db2.gz FDLBYBAPHRUELM-QMMMGPOBSA-N -1 1 353.774 2.397 20 0 FEADMM NC(=O)[C@H](CNC(=O)c1c(F)ccc([O-])c1F)Cc1ccccc1Cl ZINC000580363802 671800278 /nfs/dbraw/zinc/80/02/78/671800278.db2.gz OLEQFBHEXNCLRS-JTQLQIEISA-N -1 1 368.767 2.398 20 0 FEADMM Cc1nc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)no1 ZINC000580982752 671852353 /nfs/dbraw/zinc/85/23/53/671852353.db2.gz PBYPYXITWWIBIS-UHFFFAOYSA-N -1 1 363.171 2.324 20 0 FEADMM O=S(=O)([N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1cc2ccccc2o1 ZINC000581101232 671863498 /nfs/dbraw/zinc/86/34/98/671863498.db2.gz YAUJUFNDVQOAJB-RDJZCZTQSA-N -1 1 365.451 2.421 20 0 FEADMM COCCN(C)S(=O)(=O)[N-]c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000581196790 671873064 /nfs/dbraw/zinc/87/30/64/671873064.db2.gz ZUWYRIANGIKOCS-UHFFFAOYSA-N -1 1 358.851 2.069 20 0 FEADMM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000581331999 671885793 /nfs/dbraw/zinc/88/57/93/671885793.db2.gz RYZMYSKNVVDYLI-UHFFFAOYSA-N -1 1 368.480 2.484 20 0 FEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1F ZINC000119804536 671908963 /nfs/dbraw/zinc/90/89/63/671908963.db2.gz UTBQZCPKVRJIKF-OAHLLOKOSA-N -1 1 363.332 2.429 20 0 FEADMM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121604891 671953595 /nfs/dbraw/zinc/95/35/95/671953595.db2.gz JTFLLNRBAZFIPM-VHSXEESVSA-N -1 1 359.220 2.462 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000582065772 671964639 /nfs/dbraw/zinc/96/46/39/671964639.db2.gz DGHSKCWSHFBURP-ZDUSSCGKSA-N -1 1 360.501 2.153 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)c2ccc(Nc3ccncc3)cc2)s[n-]1 ZINC000582128259 671971453 /nfs/dbraw/zinc/97/14/53/671971453.db2.gz FXLQJJKZVBSFRM-LLVKDONJSA-N -1 1 355.423 2.480 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCN1C1CCCCC1 ZINC000123110214 671975530 /nfs/dbraw/zinc/97/55/30/671975530.db2.gz ORGQTQCOHLRRRZ-AWEZNQCLSA-N -1 1 358.410 2.177 20 0 FEADMM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000123172479 671976419 /nfs/dbraw/zinc/97/64/19/671976419.db2.gz NTORXCBAEUBBCL-UHFFFAOYSA-N -1 1 366.361 2.002 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000582299341 671987414 /nfs/dbraw/zinc/98/74/14/671987414.db2.gz IGCLLUNCAPDAPI-UHOFOFEASA-N -1 1 351.422 2.181 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C1(N2CCOCC2)CCCC1 ZINC000125451399 672012033 /nfs/dbraw/zinc/01/20/33/672012033.db2.gz PAPYOIVNRYSFJI-ZDUSSCGKSA-N -1 1 374.453 2.277 20 0 FEADMM O=S(=O)([N-]Cc1cccc2c1OCO2)c1ccc(Br)o1 ZINC000583292544 672081368 /nfs/dbraw/zinc/08/13/68/672081368.db2.gz PNCYATZWUCRUNL-UHFFFAOYSA-N -1 1 360.185 2.249 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Br)c(Cl)c1F ZINC000583544292 672104972 /nfs/dbraw/zinc/10/49/72/672104972.db2.gz WMISKGIABCJAPW-UHFFFAOYSA-N -1 1 360.574 2.174 20 0 FEADMM O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000135481228 672133805 /nfs/dbraw/zinc/13/38/05/672133805.db2.gz VWACYCDWJPFNDP-AWEZNQCLSA-N -1 1 361.760 2.179 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)s1 ZINC000135601697 672134628 /nfs/dbraw/zinc/13/46/28/672134628.db2.gz YYRSIOGTHCXHGD-NSHDSACASA-N -1 1 358.250 2.225 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)s1 ZINC000135601680 672134636 /nfs/dbraw/zinc/13/46/36/672134636.db2.gz YYRSIOGTHCXHGD-LLVKDONJSA-N -1 1 358.250 2.225 20 0 FEADMM Nc1nc([O-])c(CC(=O)N(CCc2cccc(F)c2)C2CCCC2)s1 ZINC000152656968 672185734 /nfs/dbraw/zinc/18/57/34/672185734.db2.gz JEAMMVFAFZVGMM-OAHLLOKOSA-N -1 1 363.458 2.486 20 0 FEADMM COc1cc(C(=O)N2CCCN(c3cccnn3)CC2)cc(Cl)c1[O-] ZINC000153846046 672205722 /nfs/dbraw/zinc/20/57/22/672205722.db2.gz CPMYSLHBIIRLTR-UHFFFAOYSA-N -1 1 362.817 2.197 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C1Cc2ccccc2C1)c1ccccc1F ZINC000610702278 675990101 /nfs/dbraw/zinc/99/01/01/675990101.db2.gz KRVPXWRXHPAZIC-QGZVFWFLSA-N -1 1 363.410 2.127 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)n1 ZINC000155541861 672235213 /nfs/dbraw/zinc/23/52/13/672235213.db2.gz NTWVIFCTEGSGGL-GZMMTYOYSA-N -1 1 351.769 2.460 20 0 FEADMM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(Br)ccc1[O-] ZINC000156351340 672245212 /nfs/dbraw/zinc/24/52/12/672245212.db2.gz KHBGRKNCVORPRI-UHFFFAOYSA-N -1 1 368.143 2.475 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)c2ccccc21 ZINC000158323732 672268337 /nfs/dbraw/zinc/26/83/37/672268337.db2.gz PRALQPZUHFBLSA-UHFFFAOYSA-N -1 1 354.391 2.173 20 0 FEADMM O=C(Cc1ccsc1)NNC(=O)c1ccc(Br)c([O-])c1 ZINC000159513688 672282687 /nfs/dbraw/zinc/28/26/87/672282687.db2.gz PNMGEIQXBKMWCW-UHFFFAOYSA-N -1 1 355.213 2.220 20 0 FEADMM CCc1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)OC)cc1C(=O)[O-] ZINC000610999981 676009600 /nfs/dbraw/zinc/00/96/00/676009600.db2.gz ONCCIJYACHYELS-UHFFFAOYSA-N -1 1 366.395 2.171 20 0 FEADMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cccc(Cl)c2[O-])C1 ZINC000180012788 672407913 /nfs/dbraw/zinc/40/79/13/672407913.db2.gz XLTWANVDVPVGQN-AWEZNQCLSA-N -1 1 368.861 2.279 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCOCC2(CCOCC2)C1 ZINC000182641572 672449226 /nfs/dbraw/zinc/44/92/26/672449226.db2.gz QBVNNDUAPKXISL-UHFFFAOYSA-N -1 1 370.243 2.424 20 0 FEADMM Cc1cc(NC(=O)N[N-]C(=O)c2cc(F)ccc2Br)no1 ZINC000182708375 672451524 /nfs/dbraw/zinc/45/15/24/672451524.db2.gz ZHNBYBJQRVXGGH-UHFFFAOYSA-N -1 1 357.139 2.351 20 0 FEADMM CCOC(=O)c1nnc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)s1 ZINC000611127580 676019656 /nfs/dbraw/zinc/01/96/56/676019656.db2.gz OSGYLGXBCQOIJV-QMMMGPOBSA-N -1 1 354.413 2.275 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)COc3ccccc3Cl)nc2n1 ZINC000588745548 672476374 /nfs/dbraw/zinc/47/63/74/672476374.db2.gz YBNGKWYPSLJLPK-UHFFFAOYSA-N -1 1 361.789 2.041 20 0 FEADMM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(C(=O)OC)no2)n1 ZINC000588791335 672481783 /nfs/dbraw/zinc/48/17/83/672481783.db2.gz XBYYPBNFTVDNDI-UHFFFAOYSA-N -1 1 367.383 2.011 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n[nH]1 ZINC000184802060 672507671 /nfs/dbraw/zinc/50/76/71/672507671.db2.gz AVASBEAJRGWKNB-UHFFFAOYSA-N -1 1 359.777 2.024 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000589428899 672524567 /nfs/dbraw/zinc/52/45/67/672524567.db2.gz CRNIJTSTQGYRAT-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM CCOC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000186686730 672552228 /nfs/dbraw/zinc/55/22/28/672552228.db2.gz NBKDGWODIFGXCB-SNVBAGLBSA-N -1 1 357.204 2.115 20 0 FEADMM COC(=O)CC(C)(C)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000611356722 676034094 /nfs/dbraw/zinc/03/40/94/676034094.db2.gz AUJAUVOQRYJMHX-UHFFFAOYSA-N -1 1 360.407 2.115 20 0 FEADMM COc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)c(I)c1 ZINC000590563935 672589784 /nfs/dbraw/zinc/58/97/84/672589784.db2.gz AXKJSWOXSJCDOE-UHFFFAOYSA-N -1 1 373.150 2.289 20 0 FEADMM CC(C)N(CC1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000590606565 672596174 /nfs/dbraw/zinc/59/61/74/672596174.db2.gz KAJUTNOTZMQVNE-UHFFFAOYSA-N -1 1 364.464 2.006 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@]12CCCO2 ZINC000680977623 672618479 /nfs/dbraw/zinc/61/84/79/672618479.db2.gz STJTXZXIPSWNJM-GZBFAFLISA-N -1 1 363.838 2.484 20 0 FEADMM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccc([O-])c(F)c1 ZINC000681059561 672625682 /nfs/dbraw/zinc/62/56/82/672625682.db2.gz XULMDTCLLFOJEF-UHFFFAOYSA-N -1 1 366.370 2.029 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000189978219 672628370 /nfs/dbraw/zinc/62/83/70/672628370.db2.gz AODZVJGQOJNWPT-UHFFFAOYSA-N -1 1 350.172 2.368 20 0 FEADMM C[C@H](OCC1CC1)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000681124119 672631324 /nfs/dbraw/zinc/63/13/24/672631324.db2.gz FNPZKLDUEZHHEC-SDBXPKJASA-N -1 1 353.785 2.013 20 0 FEADMM Cc1n[nH]c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[O-] ZINC000681123242 672631494 /nfs/dbraw/zinc/63/14/94/672631494.db2.gz ZZVPVQPXQSUAMQ-GFCCVEGCSA-N -1 1 356.348 2.475 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)NC(=O)OC(C)(C)C ZINC000192991792 672708639 /nfs/dbraw/zinc/70/86/39/672708639.db2.gz NFSXNUKFUJJUOE-VIFPVBQESA-N -1 1 350.387 2.156 20 0 FEADMM O=C(NCc1cc[nH]n1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000193417155 672724013 /nfs/dbraw/zinc/72/40/13/672724013.db2.gz RIXNKYYGWLPAOG-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3OC)CC2)o1 ZINC000592070486 672746850 /nfs/dbraw/zinc/74/68/50/672746850.db2.gz PVBXRCLJIRBSHZ-UHFFFAOYSA-N -1 1 351.380 2.042 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CC=CC2)o1 ZINC000592102688 672756588 /nfs/dbraw/zinc/75/65/88/672756588.db2.gz UYLVUOYMAFMCDN-OAHLLOKOSA-N -1 1 371.455 2.088 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)Cc2ccc(C)cc2F)n1 ZINC000194772643 672767799 /nfs/dbraw/zinc/76/77/99/672767799.db2.gz ANJIQUXRVNSUKW-UHFFFAOYSA-N -1 1 352.387 2.187 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc2[nH]ccc21 ZINC000592352739 672790531 /nfs/dbraw/zinc/79/05/31/672790531.db2.gz KBNIDGQORGAHSK-HNNXBMFYSA-N -1 1 352.412 2.121 20 0 FEADMM CCc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1CC ZINC000683071865 672812131 /nfs/dbraw/zinc/81/21/31/672812131.db2.gz LQCJCJGCFMXNQT-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM O=C(NCc1nn[n-]n1)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000683483762 672848771 /nfs/dbraw/zinc/84/87/71/672848771.db2.gz IWYAWFQYABWJSY-UHFFFAOYSA-N -1 1 353.773 2.122 20 0 FEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)[C@@H]1SC ZINC000592891684 672851654 /nfs/dbraw/zinc/85/16/54/672851654.db2.gz NJWRMVZGBDJVHK-WZRBSPASSA-N -1 1 353.488 2.427 20 0 FEADMM Cc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)n1 ZINC000683683747 672865917 /nfs/dbraw/zinc/86/59/17/672865917.db2.gz MJVRKKWQYXFNKW-SSDOTTSWSA-N -1 1 353.791 2.351 20 0 FEADMM Cc1noc([C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000683683747 672865921 /nfs/dbraw/zinc/86/59/21/672865921.db2.gz MJVRKKWQYXFNKW-SSDOTTSWSA-N -1 1 353.791 2.351 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000683685302 672866733 /nfs/dbraw/zinc/86/67/33/672866733.db2.gz BXBGCTKFOXVCHZ-WDEREUQCSA-N -1 1 353.419 2.293 20 0 FEADMM CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000683685302 672866740 /nfs/dbraw/zinc/86/67/40/672866740.db2.gz BXBGCTKFOXVCHZ-WDEREUQCSA-N -1 1 353.419 2.293 20 0 FEADMM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n1C ZINC000593280540 672902180 /nfs/dbraw/zinc/90/21/80/672902180.db2.gz ZTYSCCNETOPLCK-UHFFFAOYSA-N -1 1 357.819 2.192 20 0 FEADMM Cc1[nH]nc(C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)c1[O-] ZINC000684759573 672963170 /nfs/dbraw/zinc/96/31/70/672963170.db2.gz RZISESVIHMLUQF-UHFFFAOYSA-N -1 1 350.806 2.162 20 0 FEADMM O=S(=O)([N-]CCOC[C@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000684760107 672963275 /nfs/dbraw/zinc/96/32/75/672963275.db2.gz CSWVHPPOFZAFGF-VIFPVBQESA-N -1 1 372.245 2.464 20 0 FEADMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1ccccc1C ZINC000593649734 672970555 /nfs/dbraw/zinc/97/05/55/672970555.db2.gz GWJSEXSZWJKITH-MRXNPFEDSA-N -1 1 369.483 2.305 20 0 FEADMM CC(C)Cc1nnc(NC(=O)CN(C)C(=O)c2ccc([O-])cc2F)s1 ZINC000684868912 672972662 /nfs/dbraw/zinc/97/26/62/672972662.db2.gz JNLBVOGBLQBMDP-UHFFFAOYSA-N -1 1 366.418 2.292 20 0 FEADMM CN1C(=O)COc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc21 ZINC000685003014 672984420 /nfs/dbraw/zinc/98/44/20/672984420.db2.gz UFXHOPJQOALZGJ-UHFFFAOYSA-N -1 1 358.419 2.331 20 0 FEADMM Cc1oc(C)c(S(N)(=O)=O)c1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000685366103 673007313 /nfs/dbraw/zinc/00/73/13/673007313.db2.gz VUCHDCNFOBINFT-UHFFFAOYSA-N -1 1 353.331 2.106 20 0 FEADMM O=C(CC(F)(F)F)N1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000685428645 673010136 /nfs/dbraw/zinc/01/01/36/673010136.db2.gz DXDMFKJVRDGKLA-UHFFFAOYSA-N -1 1 366.286 2.344 20 0 FEADMM O=C(NCc1cocn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000593984379 673017914 /nfs/dbraw/zinc/01/79/14/673017914.db2.gz ZBYUEVWMJGGXMU-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000322636354 673042220 /nfs/dbraw/zinc/04/22/20/673042220.db2.gz SLGNTLKCDQCNGW-GFCCVEGCSA-N -1 1 360.863 2.143 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1CCCCC1 ZINC000324920854 673047883 /nfs/dbraw/zinc/04/78/83/673047883.db2.gz UQJYYYZSVCKDBY-ZDUSSCGKSA-N -1 1 354.472 2.100 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@](F)(CO)C1 ZINC000685847539 673049383 /nfs/dbraw/zinc/04/93/83/673049383.db2.gz RGQHDTRQEYDSKW-OAHLLOKOSA-N -1 1 369.190 2.249 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC[C@@H]2C[C@@H]21 ZINC000685853876 673049730 /nfs/dbraw/zinc/04/97/30/673049730.db2.gz RWKCZCLCIWMAJA-SKDRFNHKSA-N -1 1 363.266 2.283 20 0 FEADMM Cc1c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000327683500 673061588 /nfs/dbraw/zinc/06/15/88/673061588.db2.gz PDLAADCPGPZUFS-UHFFFAOYSA-N -1 1 369.330 2.429 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(C(=O)[O-])c1F ZINC000327887751 673062022 /nfs/dbraw/zinc/06/20/22/673062022.db2.gz UUFSKRFBEJIEMA-UHFFFAOYSA-N -1 1 370.314 2.247 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2(C)CCOCC2)c1F ZINC000594465360 673077525 /nfs/dbraw/zinc/07/75/25/673077525.db2.gz GMMCRYLVJVODDB-UHFFFAOYSA-N -1 1 365.810 2.113 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)c1F ZINC000594464869 673077584 /nfs/dbraw/zinc/07/75/84/673077584.db2.gz AXSFLRLXXTUWGQ-WPRPVWTQSA-N -1 1 365.810 2.112 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3ccccc3)C2=O)sc1C ZINC000333288377 673098318 /nfs/dbraw/zinc/09/83/18/673098318.db2.gz QWPXEIGEKNJBLB-HZMBPMFUSA-N -1 1 365.480 2.232 20 0 FEADMM CCC[C@@H](C(=O)OCC)n1ccc([N-]S(=O)(=O)N2CCC[C@H](C)C2)n1 ZINC000594702135 673119909 /nfs/dbraw/zinc/11/99/09/673119909.db2.gz PYTOMLCMUWXGCS-KBPBESRZSA-N -1 1 372.491 2.176 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1NC(C)=O ZINC000392514576 673161838 /nfs/dbraw/zinc/16/18/38/673161838.db2.gz MKWJCMQOCNPKEF-UHFFFAOYSA-N -1 1 352.416 2.301 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000727355874 673167477 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COC(=O)c1oc(S(=O)(=O)[N-]CCc2ccc(OC)c(F)c2)cc1C ZINC000595318099 673223058 /nfs/dbraw/zinc/22/30/58/673223058.db2.gz OZZOEHYFDJRIQP-UHFFFAOYSA-N -1 1 371.386 2.043 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(C)cc2OC)cc1C ZINC000595318862 673223361 /nfs/dbraw/zinc/22/33/61/673223361.db2.gz NXRYLHSYTXJLNE-UHFFFAOYSA-N -1 1 353.396 2.170 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)cc1C ZINC000595326754 673225173 /nfs/dbraw/zinc/22/51/73/673225173.db2.gz KEXSRYKBHMDYPF-SECBINFHSA-N -1 1 358.803 2.463 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)c(F)c1 ZINC000595352941 673230705 /nfs/dbraw/zinc/23/07/05/673230705.db2.gz NJZLMDWXGSGGNW-LLVKDONJSA-N -1 1 351.346 2.182 20 0 FEADMM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000729486959 673236640 /nfs/dbraw/zinc/23/66/40/673236640.db2.gz NEJDSWMAKHPHSB-UHFFFAOYSA-N -1 1 357.863 2.382 20 0 FEADMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC(=O)NC1CC1 ZINC000730358921 673277652 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C[C@@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1c(Cl)cccc1Cl ZINC000732091246 673353442 /nfs/dbraw/zinc/35/34/42/673353442.db2.gz WMWDWZWPIFVLPB-KCJUWKMLSA-N -1 1 356.213 2.210 20 0 FEADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccn(-c2ccncc2)n1 ZINC000537872436 673412594 /nfs/dbraw/zinc/41/25/94/673412594.db2.gz CGOCXHPFOFEENS-UHFFFAOYSA-N -1 1 350.350 2.487 20 0 FEADMM COc1cc(NC(=O)NC[C@H]2CCC[C@H]2OC)ccc1[N-]S(C)(=O)=O ZINC000538197984 673425965 /nfs/dbraw/zinc/42/59/65/673425965.db2.gz DYLFDTRCUWIKJW-BXUZGUMPSA-N -1 1 371.459 2.003 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)n[nH]c1-c1ccccc1 ZINC000539103824 673473459 /nfs/dbraw/zinc/47/34/59/673473459.db2.gz DHOOTYJHELUUHN-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM CN1CC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000921413372 683462051 /nfs/dbraw/zinc/46/20/51/683462051.db2.gz KGBJWPMUWMCSSE-QMMMGPOBSA-N -1 1 371.659 2.224 20 0 FEADMM CC(C)(C)c1ccc(SCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1 ZINC000735652794 673499148 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O=C(CCc1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737853370 673584603 /nfs/dbraw/zinc/58/46/03/673584603.db2.gz KYKQZMSZRLCKIQ-GFCCVEGCSA-N -1 1 356.213 2.039 20 0 FEADMM CCC[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[n-]cnc4n3)sc2C1 ZINC000542768916 673603956 /nfs/dbraw/zinc/60/39/56/673603956.db2.gz ONOHSIWBSXXRIH-VIFPVBQESA-N -1 1 358.427 2.031 20 0 FEADMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)s1 ZINC000542799454 673606949 /nfs/dbraw/zinc/60/69/49/673606949.db2.gz HANRJQBNOVMSCX-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM CCC[C@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OCC ZINC000599367315 673664812 /nfs/dbraw/zinc/66/48/12/673664812.db2.gz FYWONGCAFFKMRD-LLVKDONJSA-N -1 1 365.398 2.235 20 0 FEADMM COC[C@H](C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000544105124 673689945 /nfs/dbraw/zinc/68/99/45/673689945.db2.gz OLWXCXROFWFQGF-UFBFGSQYSA-N -1 1 370.254 2.162 20 0 FEADMM C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Cl)cc1 ZINC000742116609 673707721 /nfs/dbraw/zinc/70/77/21/673707721.db2.gz VUURDSLDEUSFQG-WPGHFRTFSA-N -1 1 361.829 2.094 20 0 FEADMM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1ccc(Br)o1 ZINC000544713621 673728492 /nfs/dbraw/zinc/72/84/92/673728492.db2.gz OGOMTVYDFPUDCO-LLVKDONJSA-N -1 1 360.229 2.444 20 0 FEADMM CC(C)(CNC(=O)c1cc(=O)n2[n-]cnc2n1)Cc1cccc(Cl)c1 ZINC000544806114 673733890 /nfs/dbraw/zinc/73/38/90/673733890.db2.gz CGNTWXIDKACRBI-UHFFFAOYSA-N -1 1 359.817 2.070 20 0 FEADMM Cc1cc(Cc2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)no1 ZINC000544976541 673741884 /nfs/dbraw/zinc/74/18/84/673741884.db2.gz OAWLGSZUYZJPSP-VIFPVBQESA-N -1 1 354.413 2.058 20 0 FEADMM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(Br)o1 ZINC000545385180 673764713 /nfs/dbraw/zinc/76/47/13/673764713.db2.gz YXIZVJFTKLEEQB-UHFFFAOYSA-N -1 1 360.185 2.249 20 0 FEADMM CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600675019 673790832 /nfs/dbraw/zinc/79/08/32/673790832.db2.gz NXGBOMIAPOTTIC-AWEZNQCLSA-N -1 1 362.455 2.164 20 0 FEADMM O=S(=O)([N-]CCc1c[nH]c2ncccc12)c1ccc(Br)o1 ZINC000546778603 673817955 /nfs/dbraw/zinc/81/79/55/673817955.db2.gz MBTNUPYIDJVREJ-UHFFFAOYSA-N -1 1 370.228 2.439 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601285292 673837876 /nfs/dbraw/zinc/83/78/76/673837876.db2.gz RNRHRBGTLQUFLZ-OAHLLOKOSA-N -1 1 362.813 2.274 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000614738209 676188979 /nfs/dbraw/zinc/18/89/79/676188979.db2.gz GYVVJIZPYPGNLO-UHFFFAOYSA-N -1 1 356.407 2.256 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1OC)c1ccc(Cl)cc1 ZINC000601361051 673848156 /nfs/dbraw/zinc/84/81/56/673848156.db2.gz BJBXCFPPTQHZFU-MGPQQGTHSA-N -1 1 361.847 2.041 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)oc2C)c(C(=O)[O-])c1 ZINC000547547311 673861295 /nfs/dbraw/zinc/86/12/95/673861295.db2.gz SYZUABKIRHGWQR-UHFFFAOYSA-N -1 1 352.368 2.354 20 0 FEADMM CC(C)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000547564450 673864449 /nfs/dbraw/zinc/86/44/49/673864449.db2.gz GWHDTPHTCRGACN-INIZCTEOSA-N -1 1 354.472 2.027 20 0 FEADMM C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000547614178 673874510 /nfs/dbraw/zinc/87/45/10/673874510.db2.gz GVOBURKSZCIXMR-ZCFIWIBFSA-N -1 1 371.198 2.433 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc(Cl)c1[O-] ZINC000547733828 673884438 /nfs/dbraw/zinc/88/44/38/673884438.db2.gz SYEGVJBONOVLLI-CQSZACIVSA-N -1 1 353.802 2.264 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F ZINC000548473949 673961510 /nfs/dbraw/zinc/96/15/10/673961510.db2.gz ROUCOQDWYDHGEE-LLVKDONJSA-N -1 1 352.334 2.194 20 0 FEADMM O=C(NC[C@@H](O)COCC1CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548955825 674008036 /nfs/dbraw/zinc/00/80/36/674008036.db2.gz PKPHQVBIIUPKJE-GFCCVEGCSA-N -1 1 350.802 2.111 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000615227080 676207883 /nfs/dbraw/zinc/20/78/83/676207883.db2.gz OQFCNKLFCWUHKQ-UHFFFAOYSA-N -1 1 355.803 2.022 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1Br)c1ccccc1 ZINC000568001348 675342602 /nfs/dbraw/zinc/34/26/02/675342602.db2.gz XNBBGGJYIFCKBR-NSHDSACASA-N -1 1 360.233 2.302 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccc(I)o1 ZINC000820403173 675360609 /nfs/dbraw/zinc/36/06/09/675360609.db2.gz RHZPLPYGRYJLIF-HWKANZROSA-N -1 1 359.123 2.273 20 0 FEADMM COC1([C@@H](C)[N-]S(=O)(=O)c2nc3ccccc3s2)CCOCC1 ZINC000568388599 675370148 /nfs/dbraw/zinc/37/01/48/675370148.db2.gz IYUXQWMFJTUIKY-LLVKDONJSA-N -1 1 356.469 2.159 20 0 FEADMM COc1ccc2cc(C[N-]S(=O)(=O)N=S3(=O)CCCC3)ccc2c1 ZINC000820782725 675387586 /nfs/dbraw/zinc/38/75/86/675387586.db2.gz WJJJWAOVUQIVNX-UHFFFAOYSA-N -1 1 368.480 2.445 20 0 FEADMM C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OC1CCOCC1 ZINC000822054571 675467721 /nfs/dbraw/zinc/46/77/21/675467721.db2.gz BINNQBBOLZFMNW-HJWXVDRSSA-N -1 1 354.447 2.272 20 0 FEADMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ncccc1Br ZINC000657057985 677927712 /nfs/dbraw/zinc/92/77/12/677927712.db2.gz LHAMGOFXEFDKLP-NSHDSACASA-N -1 1 363.277 2.328 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](O)Cc1ccccc1 ZINC000824669180 675615699 /nfs/dbraw/zinc/61/56/99/675615699.db2.gz ANXTUICTYYRLSW-PSASIEDQSA-N -1 1 350.835 2.381 20 0 FEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](O)Cc1ccccc1 ZINC000824669180 675615702 /nfs/dbraw/zinc/61/57/02/675615702.db2.gz ANXTUICTYYRLSW-PSASIEDQSA-N -1 1 350.835 2.381 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]2CCCC[C@H]12 ZINC000824995328 675632407 /nfs/dbraw/zinc/63/24/07/675632407.db2.gz YTPDDLREYOBDKJ-QKCSRTOESA-N -1 1 365.434 2.205 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]21 ZINC000824993651 675632413 /nfs/dbraw/zinc/63/24/13/675632413.db2.gz RCEBBNNQFMRWIS-IFUGULHKSA-N -1 1 365.434 2.205 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]2CCCC[C@@H]12 ZINC000824991906 675632535 /nfs/dbraw/zinc/63/25/35/675632535.db2.gz IBJXOCIKVOEBPG-MDZLAQPJSA-N -1 1 365.434 2.205 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]2CCCC[C@@H]12 ZINC000824991906 675632536 /nfs/dbraw/zinc/63/25/36/675632536.db2.gz IBJXOCIKVOEBPG-MDZLAQPJSA-N -1 1 365.434 2.205 20 0 FEADMM Clc1nsc(NC[C@@H]2COC3(CCCCC3)O2)c1-c1nnn[n-]1 ZINC000826353845 675686769 /nfs/dbraw/zinc/68/67/69/675686769.db2.gz GIFPSGIHFDVOQO-MRVPVSSYSA-N -1 1 356.839 2.464 20 0 FEADMM Clc1nsc(NC[C@@H]2COC3(CCCCC3)O2)c1-c1nn[n-]n1 ZINC000826353845 675686771 /nfs/dbraw/zinc/68/67/71/675686771.db2.gz GIFPSGIHFDVOQO-MRVPVSSYSA-N -1 1 356.839 2.464 20 0 FEADMM Cc1onc(CC(=O)NCCCSc2ccccc2)c1-c1nnn[n-]1 ZINC000826347241 675686822 /nfs/dbraw/zinc/68/68/22/675686822.db2.gz JZAHNKBRDPJWNS-UHFFFAOYSA-N -1 1 358.427 2.004 20 0 FEADMM Cc1onc(CC(=O)NCCCSc2ccccc2)c1-c1nn[n-]n1 ZINC000826347241 675686825 /nfs/dbraw/zinc/68/68/25/675686825.db2.gz JZAHNKBRDPJWNS-UHFFFAOYSA-N -1 1 358.427 2.004 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000827162195 675735161 /nfs/dbraw/zinc/73/51/61/675735161.db2.gz IAXXHPBSYWAJKO-ZIAGYGMSSA-N -1 1 360.483 2.196 20 0 FEADMM C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000828309091 675812216 /nfs/dbraw/zinc/81/22/16/675812216.db2.gz GLSOGWUHFWCPHK-MNOVXSKESA-N -1 1 361.412 2.297 20 0 FEADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000605492487 675816269 /nfs/dbraw/zinc/81/62/69/675816269.db2.gz KUNVLJYAZFQBIH-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM O=C(NCc1nn[n-]n1)c1csc(-c2ccc(Br)s2)n1 ZINC000606370315 675829769 /nfs/dbraw/zinc/82/97/69/675829769.db2.gz RHJCBIUHWXMIIE-UHFFFAOYSA-N -1 1 371.245 2.077 20 0 FEADMM Cc1cn2cc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)ccc2n1 ZINC000606752421 675840490 /nfs/dbraw/zinc/84/04/90/675840490.db2.gz MYROVKDHCDCVLC-UHFFFAOYSA-N -1 1 356.411 2.034 20 0 FEADMM Cc1ccncc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000608348974 675889279 /nfs/dbraw/zinc/88/92/79/675889279.db2.gz IZGOFKCPCPQNQR-UHFFFAOYSA-N -1 1 361.423 2.132 20 0 FEADMM CCO[C@H](C)c1ncc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)s1 ZINC000608355721 675889385 /nfs/dbraw/zinc/88/93/85/675889385.db2.gz DMGXVEXQHKIXBU-ZWNOBZJWSA-N -1 1 358.427 2.273 20 0 FEADMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccn1 ZINC000617081097 676269111 /nfs/dbraw/zinc/26/91/11/676269111.db2.gz RFQAENOAMNPWNM-LBPRGKRZSA-N -1 1 365.455 2.285 20 0 FEADMM CC[C@@H](COCC1CC1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000617327483 676280188 /nfs/dbraw/zinc/28/01/88/676280188.db2.gz PXCZIJGALPMRGL-ZDUSSCGKSA-N -1 1 353.488 2.467 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc(Cl)c1[O-] ZINC000618218725 676326104 /nfs/dbraw/zinc/32/61/04/676326104.db2.gz ZMXNOWSWWOEXHC-GXFFZTMASA-N -1 1 352.818 2.185 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc(Cl)c1[O-] ZINC000618310525 676330432 /nfs/dbraw/zinc/33/04/32/676330432.db2.gz UCNCAMKEKYTJDN-GXSJLCMTSA-N -1 1 361.847 2.140 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCOC(C)(C)C)o1 ZINC000618338159 676334743 /nfs/dbraw/zinc/33/47/43/676334743.db2.gz WGNXDVMQCIJSJT-UHFFFAOYSA-N -1 1 360.476 2.291 20 0 FEADMM CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)[nH]1 ZINC000618907182 676356189 /nfs/dbraw/zinc/35/61/89/676356189.db2.gz WTAFKWWXGWAYTB-UHFFFAOYSA-N -1 1 353.400 2.013 20 0 FEADMM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000677243808 679669636 /nfs/dbraw/zinc/66/96/36/679669636.db2.gz LIDRQJTXAMOZFF-UHFFFAOYSA-N -1 1 373.425 2.310 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1N ZINC000619855637 676397349 /nfs/dbraw/zinc/39/73/49/676397349.db2.gz HRIGOCXQSJPXIN-JTQLQIEISA-N -1 1 362.407 2.180 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(OC(C)C)cc3Cl)nc2n1 ZINC000622869659 676508961 /nfs/dbraw/zinc/50/89/61/676508961.db2.gz BLVCOAVXADXISZ-UHFFFAOYSA-N -1 1 361.789 2.419 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)C3(c4ccc(Cl)cc4)CC3)nc2n1 ZINC000622995449 676514782 /nfs/dbraw/zinc/51/47/82/676514782.db2.gz BFCSYGYYNUYEFT-UHFFFAOYSA-N -1 1 357.801 2.304 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cscn1 ZINC000625370418 676643174 /nfs/dbraw/zinc/64/31/74/676643174.db2.gz GUFFAYJUUOQTGF-BXKDBHETSA-N -1 1 364.370 2.356 20 0 FEADMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625370793 676643390 /nfs/dbraw/zinc/64/33/90/676643390.db2.gz IQIPSNIPQOWORU-RMIQQSQVSA-N -1 1 365.373 2.018 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCN1CC(F)F)c1ncccc1C(F)(F)F ZINC000625394232 676644735 /nfs/dbraw/zinc/64/47/35/676644735.db2.gz RFYLJQDPZVXHKJ-VIFPVBQESA-N -1 1 373.347 2.108 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1cccc(F)c1F ZINC000625599744 676660606 /nfs/dbraw/zinc/66/06/06/676660606.db2.gz TUXKSDSEHGHLDM-ZUZCIYMTSA-N -1 1 357.382 2.134 20 0 FEADMM C[C@H]1CN(C(=O)NCCN(C)Cc2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000626756619 676721074 /nfs/dbraw/zinc/72/10/74/676721074.db2.gz SLMZRWXLUJIRQM-XJKSGUPXSA-N -1 1 351.422 2.010 20 0 FEADMM COc1cccc([C@@H](CNC(=O)c2c(C)[n-]c(=O)nc2SC)OC)c1 ZINC000628285426 676796985 /nfs/dbraw/zinc/79/69/85/676796985.db2.gz UBJSZNJKKXERDZ-CYBMUJFWSA-N -1 1 363.439 2.339 20 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O=C(c1ccc(OC2CCCC2)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479179 691496388 /nfs/dbraw/zinc/49/63/88/691496388.db2.gz YYJMWOVREREDLH-OAHLLOKOSA-N -1 1 359.455 2.451 20 0 FEADMM C/C=C\COc1cccc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000907479972 691497095 /nfs/dbraw/zinc/49/70/95/691497095.db2.gz KAVWSJPCLZADHT-MPNWYJEXSA-N -1 1 359.455 2.014 20 0 FEADMM O=C(c1cc2sccc2nc1Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481797 691497618 /nfs/dbraw/zinc/49/76/18/691497618.db2.gz LCBYJQBZQJMJSP-SECBINFHSA-N -1 1 366.859 2.393 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCOC23CCCCC3)c(C(F)(F)F)n1 ZINC000907645095 691531152 /nfs/dbraw/zinc/53/11/52/691531152.db2.gz SAGZGYCKYZMLMB-NSHDSACASA-N -1 1 367.393 2.209 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2OC[C@H]1CO)c1ccc(F)c(F)c1F ZINC000907946997 691588086 /nfs/dbraw/zinc/58/80/86/691588086.db2.gz CILCTKBVRSBZJZ-JDNHERCYSA-N -1 1 373.352 2.124 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)Cc2ccc(C)cc2)[n-]c1=O ZINC000908017269 691599421 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CCCN(C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)[C@H](C)C(=O)[O-] ZINC000908752497 691722952 /nfs/dbraw/zinc/72/29/52/691722952.db2.gz JPOJGEYSUFONJF-CZUORRHYSA-N -1 1 351.447 2.193 20 0 FEADMM Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1OCC(F)F ZINC000908771740 691727452 /nfs/dbraw/zinc/72/74/52/691727452.db2.gz KAJVWBWWKTVMDK-GFCCVEGCSA-N -1 1 356.369 2.374 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c1ccsc1 ZINC000908811987 691733861 /nfs/dbraw/zinc/73/38/61/691733861.db2.gz DCKUFXQMTZUGDZ-KBPBESRZSA-N -1 1 371.503 2.308 20 0 FEADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908816784 691734917 /nfs/dbraw/zinc/73/49/17/691734917.db2.gz CGNCEUWFMIRJGP-QEORTHHSSA-N -1 1 368.861 2.329 20 0 FEADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000909123775 691781779 /nfs/dbraw/zinc/78/17/79/691781779.db2.gz ZHHDIQUFIMOCPV-LSDHHAIUSA-N -1 1 371.865 2.074 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1cc([O-])c(F)cc1F ZINC000909976477 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C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)o1 ZINC000025264957 539752979 /nfs/dbraw/zinc/75/29/79/539752979.db2.gz DHUNVDBGZNIXGU-UHFFFAOYSA-N -1 1 374.378 2.022 20 0 FEADMM CNC(=O)c1ccccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000027402299 539807396 /nfs/dbraw/zinc/80/73/96/539807396.db2.gz SGYZYKWESLSQPM-UHFFFAOYSA-N -1 1 360.439 2.143 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1C ZINC000028249722 539829252 /nfs/dbraw/zinc/82/92/52/539829252.db2.gz SYTRNAYIOPIGTF-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cn1 ZINC000028678790 539835226 /nfs/dbraw/zinc/83/52/26/539835226.db2.gz KZLLWSGXEUSBQR-LLVKDONJSA-N -1 1 361.423 2.189 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCOc2ccc(F)cc2)c(=O)[n-]1 ZINC000030481035 539882832 /nfs/dbraw/zinc/88/28/32/539882832.db2.gz JMYRQXGZSZFUIC-UHFFFAOYSA-N -1 1 365.430 2.479 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000030565953 539885789 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Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2ccccc2C1 ZINC000047330246 540304443 /nfs/dbraw/zinc/30/44/43/540304443.db2.gz WKNVKJCGPBRKFK-UHFFFAOYSA-N -1 1 360.417 2.268 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000055564300 540659319 /nfs/dbraw/zinc/65/93/19/540659319.db2.gz SAEIZPFSWVNGTN-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1Cl ZINC000055601803 540663220 /nfs/dbraw/zinc/66/32/20/540663220.db2.gz QERJYGLAAUWTFM-UHFFFAOYSA-N -1 1 365.802 2.125 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000055589770 540661337 /nfs/dbraw/zinc/66/13/37/540661337.db2.gz TWPDFMUZEQJKHT-UHFFFAOYSA-N -1 1 370.434 2.375 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2OC)cc1C(=O)[O-] ZINC000055583983 540661590 /nfs/dbraw/zinc/66/15/90/540661590.db2.gz RIGZZVUMCAUPSR-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000055640430 540666888 /nfs/dbraw/zinc/66/68/88/540666888.db2.gz 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/nfs/dbraw/zinc/16/99/15/541169915.db2.gz HDEQULJDHFPLDD-UHFFFAOYSA-N -1 1 351.380 2.268 20 0 FEADMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000063878207 541190623 /nfs/dbraw/zinc/19/06/23/541190623.db2.gz KVNOFGQMDKBKQK-UHFFFAOYSA-N -1 1 362.407 2.056 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000064335807 541201507 /nfs/dbraw/zinc/20/15/07/541201507.db2.gz HTLMVXZLSUKHJO-UHFFFAOYSA-N -1 1 368.397 2.114 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc[nH]n3)cc2)cc1 ZINC000066457366 541320593 /nfs/dbraw/zinc/32/05/93/541320593.db2.gz SRWXXCNQPINFFH-UHFFFAOYSA-N -1 1 372.406 2.471 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1 ZINC000066587210 541342076 /nfs/dbraw/zinc/34/20/76/541342076.db2.gz QCTWGWLNDQJENW-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM CCOc1cccc2c1OC[C@H](C(=O)NCc1n[n-]c(=S)n1CC)C2 ZINC000066636249 541351534 /nfs/dbraw/zinc/35/15/34/541351534.db2.gz XCDVJMCWNWHMIR-GFCCVEGCSA-N -1 1 362.455 2.227 20 0 FEADMM COc1ccc(CC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1OC ZINC000066639811 541352688 /nfs/dbraw/zinc/35/26/88/541352688.db2.gz FAFWAPXSZWQMKO-UHFFFAOYSA-N -1 1 350.444 2.398 20 0 FEADMM COc1ccc(CC(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1OC ZINC000067079938 541414698 /nfs/dbraw/zinc/41/46/98/541414698.db2.gz RXXIYIXIDOSZJL-UHFFFAOYSA-N -1 1 362.455 2.194 20 0 FEADMM O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000067554949 541479833 /nfs/dbraw/zinc/47/98/33/541479833.db2.gz DKPXHHDDLZTBAO-UHFFFAOYSA-N -1 1 363.352 2.178 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(-n4cccc4)c3)ccc21 ZINC000068216047 541564539 /nfs/dbraw/zinc/56/45/39/541564539.db2.gz AAHBGRHRGQYDND-UHFFFAOYSA-N -1 1 367.386 2.162 20 0 FEADMM CS(=O)(=O)N1CC[C@@H](COC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000801259590 674114870 /nfs/dbraw/zinc/11/48/70/674114870.db2.gz RTVYYXCDLVTTIO-MRVPVSSYSA-N -1 1 368.238 2.137 20 0 FEADMM COC(=O)CCc1nnc([N-]C(=O)c2nsc3ccc(C)cc32)s1 ZINC000550939297 674117063 /nfs/dbraw/zinc/11/70/63/674117063.db2.gz GJRUFSVMFRJLSB-UHFFFAOYSA-N -1 1 362.436 2.814 20 0 FEADMM COCc1noc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])n1 ZINC000801374608 674124677 /nfs/dbraw/zinc/12/46/77/674124677.db2.gz NSXGLRZNVIWUMK-UHFFFAOYSA-N -1 1 364.745 2.118 20 0 FEADMM Cc1ccc(-n2cc([O-])c(C(=O)OCCCS(=O)(=O)C(C)C)n2)cc1 ZINC000801369823 674124365 /nfs/dbraw/zinc/12/43/65/674124365.db2.gz BMLUMZIQTVFXQQ-UHFFFAOYSA-N -1 1 366.439 2.256 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)cc1 ZINC000551118721 674125314 /nfs/dbraw/zinc/12/53/14/674125314.db2.gz TUDFMGIAYSGQMK-UHFFFAOYSA-N -1 1 358.419 2.486 20 0 FEADMM C[C@@H](CC(=O)NCCc1n[n-]c(=S)n1C)C(=O)c1cccc(F)c1 ZINC000073390599 541949511 /nfs/dbraw/zinc/94/95/11/541949511.db2.gz HPSKGECAZXGWHZ-JTQLQIEISA-N -1 1 350.419 2.185 20 0 FEADMM COCCOc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(Cl)c1 ZINC000801705009 674144430 /nfs/dbraw/zinc/14/44/30/674144430.db2.gz YHZXASYNJBNQRE-UHFFFAOYSA-N -1 1 360.801 2.273 20 0 FEADMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000077687851 542408362 /nfs/dbraw/zinc/40/83/62/542408362.db2.gz ZEAKSFBKVHDOOU-UHFFFAOYSA-N -1 1 360.313 2.485 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)ccc1F ZINC000077888003 542430622 /nfs/dbraw/zinc/43/06/22/542430622.db2.gz NHYXZUMLKJDTBW-UHFFFAOYSA-N -1 1 352.391 2.046 20 0 FEADMM O=c1ncccn1Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000077958104 542433435 /nfs/dbraw/zinc/43/34/35/542433435.db2.gz ITOFGMXSLPFSEI-UHFFFAOYSA-N -1 1 359.382 2.232 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)o1 ZINC000072011373 221396477 /nfs/dbraw/zinc/39/64/77/221396477.db2.gz UNQNQTGRKDXLAY-UHFFFAOYSA-N -1 1 357.819 2.159 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000081803483 542677160 /nfs/dbraw/zinc/67/71/60/542677160.db2.gz JDBQECAZRRQDHK-UHFFFAOYSA-N -1 1 352.398 2.209 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1noc2c1CCCC2 ZINC000091161283 542795863 /nfs/dbraw/zinc/79/58/63/542795863.db2.gz UGLOCLWUSHMNQR-UHFFFAOYSA-N -1 1 353.375 2.316 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N(CCO)Cc1cccnc1 ZINC000092927012 542896259 /nfs/dbraw/zinc/89/62/59/542896259.db2.gz GITZXOXXAPZQAA-UHFFFAOYSA-N -1 1 351.200 2.184 20 0 FEADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000094133703 542953132 /nfs/dbraw/zinc/95/31/32/542953132.db2.gz CHJJKUJAOOAVNO-VIFPVBQESA-N -1 1 364.261 2.050 20 0 FEADMM O=S(=O)([N-]C1CCN(c2nccs2)CC1)c1cc(F)ccc1F ZINC000096383923 542998974 /nfs/dbraw/zinc/99/89/74/542998974.db2.gz VUDCPEBOBCIXBD-UHFFFAOYSA-N -1 1 359.423 2.369 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(OCCC(C)C)CC1 ZINC000104852890 543147209 /nfs/dbraw/zinc/14/72/09/543147209.db2.gz UARPTLNGQBYKIX-UHFFFAOYSA-N -1 1 374.485 2.236 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1ccc(Cl)s1 ZINC000104852399 543147421 /nfs/dbraw/zinc/14/74/21/543147421.db2.gz LDBZISWLZVEZEF-UHFFFAOYSA-N -1 1 364.858 2.256 20 0 FEADMM Cc1ccccc1OCCCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104925722 543151258 /nfs/dbraw/zinc/15/12/58/543151258.db2.gz IUBIFFKSUPKQPX-UHFFFAOYSA-N -1 1 368.437 2.076 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccccc1O ZINC000105290908 543169446 /nfs/dbraw/zinc/16/94/46/543169446.db2.gz UXWITDPOVQSALY-UHFFFAOYSA-N -1 1 362.407 2.135 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)oc(=O)n4C)ccc2O1 ZINC000106007815 543184896 /nfs/dbraw/zinc/18/48/96/543184896.db2.gz CUXLBLIQMDPPMR-JTQLQIEISA-N -1 1 360.391 2.256 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)c(F)c3)ccc2O1 ZINC000106007635 543185102 /nfs/dbraw/zinc/18/51/02/543185102.db2.gz NWVWZDAHZIPKOV-VIFPVBQESA-N -1 1 350.371 2.049 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000106920930 543256289 /nfs/dbraw/zinc/25/62/89/543256289.db2.gz NCPWDVZDUKJKBH-MRXNPFEDSA-N -1 1 354.385 2.125 20 0 FEADMM COc1ccc(Cc2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000109553874 543327290 /nfs/dbraw/zinc/32/72/90/543327290.db2.gz TXCFVSJJMWHNOE-UHFFFAOYSA-N -1 1 365.436 2.209 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)c[nH]c1=O ZINC000158282556 545844149 /nfs/dbraw/zinc/84/41/49/545844149.db2.gz ZOZZMBAJDSVZDK-UHFFFAOYSA-N -1 1 361.192 2.386 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000110097255 543348944 /nfs/dbraw/zinc/34/89/44/543348944.db2.gz GQXLGIGGGMKSPG-LBPRGKRZSA-N -1 1 360.863 2.353 20 0 FEADMM CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)COC1 ZINC000112708377 543459389 /nfs/dbraw/zinc/45/93/89/543459389.db2.gz CVNZASDLVKWAEH-UHFFFAOYSA-N -1 1 356.188 2.042 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1cccc(OC(C)C)c1 ZINC000114412122 543514036 /nfs/dbraw/zinc/51/40/36/543514036.db2.gz YEWVRMDXFFTFFG-UHFFFAOYSA-N -1 1 368.437 2.286 20 0 FEADMM COc1cccc(SCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114413089 543514844 /nfs/dbraw/zinc/51/48/44/543514844.db2.gz YUGVOVIDGWLSDI-UHFFFAOYSA-N -1 1 372.450 2.057 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC[C@@H]2CCCO2)n[n-]1 ZINC000552008078 674181217 /nfs/dbraw/zinc/18/12/17/674181217.db2.gz FPNYBWOZHPVJRD-STQMWFEESA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC[C@@H]2CCCO2)[n-]1 ZINC000552008078 674181218 /nfs/dbraw/zinc/18/12/18/674181218.db2.gz FPNYBWOZHPVJRD-STQMWFEESA-N -1 1 352.435 2.144 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC[C@@H]2CCCO2)n1 ZINC000552008078 674181220 /nfs/dbraw/zinc/18/12/20/674181220.db2.gz FPNYBWOZHPVJRD-STQMWFEESA-N -1 1 352.435 2.144 20 0 FEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000116158738 543601519 /nfs/dbraw/zinc/60/15/19/543601519.db2.gz ADEONGOORZVROR-UHFFFAOYSA-N -1 1 361.391 2.310 20 0 FEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1 ZINC000116601873 543611004 /nfs/dbraw/zinc/61/10/04/543611004.db2.gz WUOVVFIYYJJSRT-UHFFFAOYSA-N -1 1 370.434 2.375 20 0 FEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)n1 ZINC000118748026 543657836 /nfs/dbraw/zinc/65/78/36/543657836.db2.gz GUDNWJWXTFVLAL-UHFFFAOYSA-N -1 1 368.173 2.312 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-c2nc[nH]n2)c1)c1cccc(F)c1F ZINC000123091750 543741218 /nfs/dbraw/zinc/74/12/18/543741218.db2.gz BPHMIDLBNPVCSI-UHFFFAOYSA-N -1 1 350.350 2.228 20 0 FEADMM C[C@@H](CCCO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000122630435 543714737 /nfs/dbraw/zinc/71/47/37/543714737.db2.gz BDWXFBLDBNUMIO-AWEZNQCLSA-N -1 1 362.451 2.378 20 0 FEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000123823635 543784672 /nfs/dbraw/zinc/78/46/72/543784672.db2.gz UIUFWXSRINBGRO-CYBMUJFWSA-N -1 1 372.874 2.205 20 0 FEADMM COc1ccc(-c2cncc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2)cc1 ZINC000124341016 543815045 /nfs/dbraw/zinc/81/50/45/543815045.db2.gz ZYRCOLOSNHLSJI-GFCCVEGCSA-N -1 1 352.398 2.146 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(C)(C)C ZINC000124142896 543803442 /nfs/dbraw/zinc/80/34/42/543803442.db2.gz HXHRBCHQMSTTGF-GFCCVEGCSA-N -1 1 351.827 2.486 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000125195446 543866513 /nfs/dbraw/zinc/86/65/13/543866513.db2.gz WPJFPSQUGZGIFN-UHFFFAOYSA-N -1 1 369.450 2.258 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000125457428 543882765 /nfs/dbraw/zinc/88/27/65/543882765.db2.gz YAUZPZZADZXXGQ-QEJZJMRPSA-N -1 1 359.470 2.453 20 0 FEADMM COc1ccccc1OC[C@@H](C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000125979059 543911896 /nfs/dbraw/zinc/91/18/96/543911896.db2.gz KMAZFSQMKRNZCB-ZDUSSCGKSA-N -1 1 367.405 2.377 20 0 FEADMM O=C(NCCCOC[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000125592412 543890579 /nfs/dbraw/zinc/89/05/79/543890579.db2.gz KZKPFQOMWHIKNK-NSHDSACASA-N -1 1 358.232 2.328 20 0 FEADMM C[C@@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000127218829 543978870 /nfs/dbraw/zinc/97/88/70/543978870.db2.gz QCAYIFFUYHFZKT-SUMWQHHRSA-N -1 1 356.422 2.037 20 0 FEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127736775 544010538 /nfs/dbraw/zinc/01/05/38/544010538.db2.gz XTYXAWGVIUDHJB-CYBMUJFWSA-N -1 1 374.404 2.337 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000127335525 543986949 /nfs/dbraw/zinc/98/69/49/543986949.db2.gz VMFMBQWQENWEFD-ZIAGYGMSSA-N -1 1 367.515 2.395 20 0 FEADMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3cc(F)ccc3F)[nH]c21 ZINC000128645695 544064506 /nfs/dbraw/zinc/06/45/06/544064506.db2.gz RNJFHODENJUSTK-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM CCOc1c(Cl)cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000129336941 544106228 /nfs/dbraw/zinc/10/62/28/544106228.db2.gz LSATXEDTNDBBML-SNVBAGLBSA-N -1 1 365.821 2.280 20 0 FEADMM O=C(NCCOc1ncccc1C(F)(F)F)c1ccc2[nH]nnc2c1 ZINC000132535751 544234838 /nfs/dbraw/zinc/23/48/38/544234838.db2.gz UBTRHYXIBQOUHP-UHFFFAOYSA-N -1 1 351.288 2.181 20 0 FEADMM O=C(c1csc(-c2ccccc2F)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000132713652 544241204 /nfs/dbraw/zinc/24/12/04/544241204.db2.gz NQRWSUCSZRDYPB-JTQLQIEISA-N -1 1 358.402 2.482 20 0 FEADMM CC(=O)N(C)C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000133297739 544263754 /nfs/dbraw/zinc/26/37/54/544263754.db2.gz XGQUTSVVTPLRIF-UHFFFAOYSA-N -1 1 355.232 2.238 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC(n2cncn2)CC1 ZINC000133353299 544266181 /nfs/dbraw/zinc/26/61/81/544266181.db2.gz OAVQCQPZYMCINJ-UHFFFAOYSA-N -1 1 351.204 2.224 20 0 FEADMM O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000133397837 544268250 /nfs/dbraw/zinc/26/82/50/544268250.db2.gz KUDNOVUKJAYURM-OAHLLOKOSA-N -1 1 372.396 2.370 20 0 FEADMM CCC[C@@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000136629278 544375417 /nfs/dbraw/zinc/37/54/17/544375417.db2.gz VVHIAJIJIJWOEW-GFCCVEGCSA-N -1 1 367.862 2.427 20 0 FEADMM O=C(c1c([O-])cnc2ccccc21)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000136772660 544378456 /nfs/dbraw/zinc/37/84/56/544378456.db2.gz VDCPYKWBFFVQRF-ZDUSSCGKSA-N -1 1 363.421 2.498 20 0 FEADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H](C)CO ZINC000151177040 544513377 /nfs/dbraw/zinc/51/33/77/544513377.db2.gz XGGMWSSHFVWYAD-ZIAGYGMSSA-N -1 1 362.451 2.234 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(CO)ccc2C)ccc1F ZINC000151878540 544590831 /nfs/dbraw/zinc/59/08/31/544590831.db2.gz YKRNTESBRGYMPG-UHFFFAOYSA-N -1 1 352.387 2.386 20 0 FEADMM Cc1cc(CS(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)no1 ZINC000152054442 544610075 /nfs/dbraw/zinc/61/00/75/544610075.db2.gz GGUGJROLAJNLMS-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM Cc1cc(CS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)no1 ZINC000152054442 544610084 /nfs/dbraw/zinc/61/00/84/544610084.db2.gz GGUGJROLAJNLMS-UHFFFAOYSA-N -1 1 371.216 2.299 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000152197526 544625019 /nfs/dbraw/zinc/62/50/19/544625019.db2.gz HCJMGMQYUKPCSZ-DOMZBBRYSA-N -1 1 357.454 2.098 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000152197360 544625187 /nfs/dbraw/zinc/62/51/87/544625187.db2.gz HCJMGMQYUKPCSZ-IUODEOHRSA-N -1 1 357.454 2.098 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)c(F)cc1F ZINC000153020392 544724045 /nfs/dbraw/zinc/72/40/45/544724045.db2.gz CQWGDAJKLMTGBJ-YMTOWFKASA-N -1 1 367.414 2.437 20 0 FEADMM CCCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000153099042 544732499 /nfs/dbraw/zinc/73/24/99/544732499.db2.gz VFPJVHJHQKITKP-UONOGXRCSA-N -1 1 372.487 2.244 20 0 FEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000154503742 544913916 /nfs/dbraw/zinc/91/39/16/544913916.db2.gz VMRSOVMAIBJRHY-UHFFFAOYSA-N -1 1 365.365 2.439 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2cccc(Cl)c2)co1 ZINC000179384956 327640108 /nfs/dbraw/zinc/64/01/08/327640108.db2.gz HNGSGJYBDCICDT-UHFFFAOYSA-N -1 1 356.831 2.204 20 0 FEADMM CCC(CC)[C@H]1C[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCO1 ZINC000180845742 327704525 /nfs/dbraw/zinc/70/45/25/327704525.db2.gz VERAUECBLWKJGC-NVXWUHKLSA-N -1 1 374.485 2.282 20 0 FEADMM C[C@@H](O)[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000181058168 327714594 /nfs/dbraw/zinc/71/45/94/327714594.db2.gz NXMZFSOSJZDMID-ZBFHGGJFSA-N -1 1 374.462 2.330 20 0 FEADMM NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc([O-])cc2F)CC1 ZINC000181196377 327720228 /nfs/dbraw/zinc/72/02/28/327720228.db2.gz HCZXUKRECRFEPP-UHFFFAOYSA-N -1 1 357.385 2.485 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)c2ccccn2)c1 ZINC000182917840 327793501 /nfs/dbraw/zinc/79/35/01/327793501.db2.gz HAKBJWDIWPLEQJ-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCN(C)C)Cc1ccco1 ZINC000185052203 327896859 /nfs/dbraw/zinc/89/68/59/327896859.db2.gz WSRVCFFJNIFBNL-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC[C@@H]1O ZINC000186633063 327971916 /nfs/dbraw/zinc/97/19/16/327971916.db2.gz HPLYMMIQNSMFCX-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CN1C1CC1 ZINC000188080757 328064535 /nfs/dbraw/zinc/06/45/35/328064535.db2.gz YORUZOZAHPPCKG-SSDOTTSWSA-N -1 1 367.229 2.174 20 0 FEADMM CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000188278426 328077570 /nfs/dbraw/zinc/07/75/70/328077570.db2.gz YMQBZAZHEFAJJA-HNNXBMFYSA-N -1 1 362.451 2.297 20 0 FEADMM CO[C@@H](C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000189273679 328138390 /nfs/dbraw/zinc/13/83/90/328138390.db2.gz GBJMOSYGRWBMNQ-LBPRGKRZSA-N -1 1 366.414 2.391 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189938776 328177350 /nfs/dbraw/zinc/17/73/50/328177350.db2.gz IWGSDJFIQQHKSN-UHFFFAOYSA-N -1 1 351.472 2.364 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(Cn2cncn2)CC1 ZINC000190713867 328226882 /nfs/dbraw/zinc/22/68/82/328226882.db2.gz QGHXBYVCTNICPX-UHFFFAOYSA-N -1 1 365.231 2.299 20 0 FEADMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191891022 328286990 /nfs/dbraw/zinc/28/69/90/328286990.db2.gz ZZQFEJQNRPVWFE-VIFPVBQESA-N -1 1 371.261 2.132 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000191912286 328288432 /nfs/dbraw/zinc/28/84/32/328288432.db2.gz KAQWNURRHWSOBQ-ZACCUICWSA-N -1 1 373.190 2.125 20 0 FEADMM CCS(=O)(=O)NC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000192657777 328331199 /nfs/dbraw/zinc/33/11/99/328331199.db2.gz IQRVLJFDIZFXLZ-UHFFFAOYSA-N -1 1 362.451 2.089 20 0 FEADMM O=C(NCCCCCO)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000193301375 328367497 /nfs/dbraw/zinc/36/74/97/328367497.db2.gz UXBBKEHKFLKLOE-UHFFFAOYSA-N -1 1 362.451 2.380 20 0 FEADMM Cc1ccc([C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)N2CCCC2)cc1 ZINC000195195847 328461442 /nfs/dbraw/zinc/46/14/42/328461442.db2.gz XYGMQPJICWGANC-CQSZACIVSA-N -1 1 365.421 2.118 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1F ZINC000013849469 324376784 /nfs/dbraw/zinc/37/67/84/324376784.db2.gz DMGRHYYHYYTMOS-UHFFFAOYSA-N -1 1 366.414 2.266 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000028258608 324439135 /nfs/dbraw/zinc/43/91/35/324439135.db2.gz MKTDEZDOFGYYMU-UHFFFAOYSA-N -1 1 352.799 2.442 20 0 FEADMM Cc1ccccc1CCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000042091912 324520920 /nfs/dbraw/zinc/52/09/20/324520920.db2.gz XRVANDYLHQWJIV-UHFFFAOYSA-N -1 1 362.433 2.350 20 0 FEADMM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000195475457 328479428 /nfs/dbraw/zinc/47/94/28/328479428.db2.gz LSXHHVDAGWWIFA-LHLIQPBNSA-N -1 1 371.673 2.450 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2cc(I)ccc2[O-])CCO1 ZINC000220264406 328482702 /nfs/dbraw/zinc/48/27/02/328482702.db2.gz ZPFWEAVEXOYNLB-WCBMZHEXSA-N -1 1 361.179 2.294 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@H]2CCC[C@@H]21 ZINC000230890266 328487099 /nfs/dbraw/zinc/48/70/99/328487099.db2.gz VXAILRLSNMTKDW-AAEUAGOBSA-N -1 1 373.190 2.390 20 0 FEADMM O=C(NCCn1cccc1)c1ccc(I)c([O-])c1 ZINC000230899922 328487482 /nfs/dbraw/zinc/48/74/82/328487482.db2.gz WGQNMAKQFODLAH-UHFFFAOYSA-N -1 1 356.163 2.228 20 0 FEADMM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000076190992 324922055 /nfs/dbraw/zinc/92/20/55/324922055.db2.gz YGWWYDFLUJNNHV-UHFFFAOYSA-N -1 1 352.378 2.031 20 0 FEADMM CC(=O)Nc1ccc(CCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000080640703 325138411 /nfs/dbraw/zinc/13/84/11/325138411.db2.gz FOENCOPYCYGKCK-UHFFFAOYSA-N -1 1 370.453 2.307 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000237526284 328518894 /nfs/dbraw/zinc/51/88/94/328518894.db2.gz CNFKLWVCCHPPFX-HNNXBMFYSA-N -1 1 373.478 2.230 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1csnn1 ZINC000102381093 325491820 /nfs/dbraw/zinc/49/18/20/325491820.db2.gz ICMJPGCFVZKMNG-UHFFFAOYSA-N -1 1 374.447 2.269 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000104013082 325530533 /nfs/dbraw/zinc/53/05/33/325530533.db2.gz GEIWYMJIRPBVBH-UHFFFAOYSA-N -1 1 363.421 2.022 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)ccn1 ZINC000112496106 325785945 /nfs/dbraw/zinc/78/59/45/325785945.db2.gz KAGXORPMTOFJKC-UHFFFAOYSA-N -1 1 373.356 2.483 20 0 FEADMM CC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)COC1 ZINC000112694202 325799450 /nfs/dbraw/zinc/79/94/50/325799450.db2.gz PBXFVHJTEYRBJJ-UHFFFAOYSA-N -1 1 360.435 2.254 20 0 FEADMM CS[C@H]1CCC[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000117317625 326057327 /nfs/dbraw/zinc/05/73/27/326057327.db2.gz HYSHDYABWVMYMF-CABCVRRESA-N -1 1 372.494 2.473 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCOC1CCCCCC1 ZINC000118358093 326089193 /nfs/dbraw/zinc/08/91/93/326089193.db2.gz WNRCHXVGAXFVQP-UHFFFAOYSA-N -1 1 360.458 2.038 20 0 FEADMM CCN(CC)C(=O)c1cccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000119112311 326128089 /nfs/dbraw/zinc/12/80/89/326128089.db2.gz UJERVBORKRBGMB-UHFFFAOYSA-N -1 1 367.409 2.408 20 0 FEADMM O=C(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ncccc1[O-] ZINC000119237542 326140562 /nfs/dbraw/zinc/14/05/62/326140562.db2.gz MFDNIXZFDQCDSQ-LBPRGKRZSA-N -1 1 363.299 2.444 20 0 FEADMM O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ncccc1[O-] ZINC000119237542 326140567 /nfs/dbraw/zinc/14/05/67/326140567.db2.gz MFDNIXZFDQCDSQ-LBPRGKRZSA-N -1 1 363.299 2.444 20 0 FEADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119396021 326157762 /nfs/dbraw/zinc/15/77/62/326157762.db2.gz DTWSJXXGIFKUFV-ZBEGNZNMSA-N -1 1 352.394 2.138 20 0 FEADMM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1sccc1Br ZINC000119449488 326163949 /nfs/dbraw/zinc/16/39/49/326163949.db2.gz XIFVLSCRBSAHMA-KYZUINATSA-N -1 1 354.291 2.340 20 0 FEADMM O=C(CN1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)Nc1ccccc1 ZINC000119468849 326166174 /nfs/dbraw/zinc/16/61/74/326166174.db2.gz COGIPOMPRVKOFP-UHFFFAOYSA-N -1 1 373.840 2.442 20 0 FEADMM O=C(CN1CCC(NC(=O)C2CCCCC2)CC1)[N-]OCc1ccccc1 ZINC000119478036 326167132 /nfs/dbraw/zinc/16/71/32/326167132.db2.gz AKVIQMFLFPXVQF-UHFFFAOYSA-N -1 1 373.497 2.395 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c2=O ZINC000119485999 326167994 /nfs/dbraw/zinc/16/79/94/326167994.db2.gz NBGPUYHPJIPGQJ-HOCLYGCPSA-N -1 1 374.347 2.212 20 0 FEADMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])[C@@H]1CCOC1 ZINC000119935507 326213567 /nfs/dbraw/zinc/21/35/67/326213567.db2.gz YEHHNVYKJXUMOB-RKDXNWHRSA-N -1 1 361.179 2.152 20 0 FEADMM Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])s1 ZINC000130496763 326558130 /nfs/dbraw/zinc/55/81/30/326558130.db2.gz GHGIKDSBVNOBSE-UHFFFAOYSA-N -1 1 366.464 2.384 20 0 FEADMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c(F)cccc1CO)C(=O)C2 ZINC000133645221 326612353 /nfs/dbraw/zinc/61/23/53/326612353.db2.gz HZEFQTDVBSHRRS-SJCJKPOMSA-N -1 1 355.431 2.455 20 0 FEADMM Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)C[C@@H]2CCCCO2)n1 ZINC000150820499 326668741 /nfs/dbraw/zinc/66/87/41/326668741.db2.gz GECKTOCTERNUFM-AWEZNQCLSA-N -1 1 350.444 2.195 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)co1 ZINC000151807583 326691737 /nfs/dbraw/zinc/69/17/37/326691737.db2.gz BVDGJZOHRCYLRH-SFHVURJKSA-N -1 1 362.451 2.382 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1 ZINC000152588505 326711215 /nfs/dbraw/zinc/71/12/15/326711215.db2.gz AUOYKTFKQMVCOS-UHFFFAOYSA-N -1 1 364.814 2.424 20 0 FEADMM CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000152906642 326719246 /nfs/dbraw/zinc/71/92/46/326719246.db2.gz KSRLWFMLXXQAOW-ZWNOBZJWSA-N -1 1 364.464 2.054 20 0 FEADMM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000154159404 326752903 /nfs/dbraw/zinc/75/29/03/326752903.db2.gz NQMAARQCBDSWFI-BDAKNGLRSA-N -1 1 351.346 2.114 20 0 FEADMM Cc1noc(C)c1[C@H](C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000154813814 326769775 /nfs/dbraw/zinc/76/97/75/326769775.db2.gz SBRQVZWOCGSOIM-SECBINFHSA-N -1 1 357.414 2.054 20 0 FEADMM CCOCCC1(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)CCCC1 ZINC000154839272 326770390 /nfs/dbraw/zinc/77/03/90/326770390.db2.gz VZXAYEAHZVMSLU-UHFFFAOYSA-N -1 1 360.458 2.243 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC(C)(C)C2)o1 ZINC000155616915 326796367 /nfs/dbraw/zinc/79/63/67/326796367.db2.gz JLIGNVHBMOMQFE-LLVKDONJSA-N -1 1 358.460 2.044 20 0 FEADMM C[C@H](CCCO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000155854774 326807916 /nfs/dbraw/zinc/80/79/16/326807916.db2.gz PVEXUTAMSXNXDS-CQSZACIVSA-N -1 1 362.451 2.378 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCCCC2)co1 ZINC000158023114 326882559 /nfs/dbraw/zinc/88/25/59/326882559.db2.gz BETQJYJHCKDWGU-UHFFFAOYSA-N -1 1 363.439 2.430 20 0 FEADMM O=C(NCc1ncccc1F)c1cc(I)ccc1[O-] ZINC000162564714 327028762 /nfs/dbraw/zinc/02/87/62/327028762.db2.gz WGPFSZYQUAVMNJ-UHFFFAOYSA-N -1 1 372.137 2.461 20 0 FEADMM O=C(N[C@@H]1CCCOC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000170937192 327108551 /nfs/dbraw/zinc/10/85/51/327108551.db2.gz DYMQUKFTVNNFOJ-MRXNPFEDSA-N -1 1 360.435 2.396 20 0 FEADMM CNC(=O)CCN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000171670952 327153911 /nfs/dbraw/zinc/15/39/11/327153911.db2.gz FNOXDVBICFRRMA-UHFFFAOYSA-N -1 1 374.441 2.359 20 0 FEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc21 ZINC000172515084 327204945 /nfs/dbraw/zinc/20/49/45/327204945.db2.gz IBJRRAQZODWBPQ-UHFFFAOYSA-N -1 1 370.434 2.170 20 0 FEADMM Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172635199 327212862 /nfs/dbraw/zinc/21/28/62/327212862.db2.gz CCGLVHYEPBLAGQ-UHFFFAOYSA-N -1 1 363.333 2.239 20 0 FEADMM C[C@@H](c1nc(Cc2ccccc2)no1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000172870610 327223888 /nfs/dbraw/zinc/22/38/88/327223888.db2.gz NWNUUYRHPFFUFZ-JTQLQIEISA-N -1 1 359.411 2.191 20 0 FEADMM COc1ncc(C)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000174356858 327321615 /nfs/dbraw/zinc/32/16/15/327321615.db2.gz ACJZVPXIUUCFMO-UHFFFAOYSA-N -1 1 365.393 2.034 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](O)C3)c2)cc1 ZINC000174577545 327336127 /nfs/dbraw/zinc/33/61/27/327336127.db2.gz RGESSYYRPZMHEZ-MRXNPFEDSA-N -1 1 360.435 2.003 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1NCCC(N)=O ZINC000174748310 327348000 /nfs/dbraw/zinc/34/80/00/327348000.db2.gz KIASBKCNQJVSOQ-UHFFFAOYSA-N -1 1 351.403 2.222 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)cc1F ZINC000174748231 327348134 /nfs/dbraw/zinc/34/81/34/327348134.db2.gz ODRLHRWWRXWLJJ-UHFFFAOYSA-N -1 1 351.403 2.222 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(Br)cc1 ZINC000175066822 327372057 /nfs/dbraw/zinc/37/20/57/327372057.db2.gz YXQLXSXYGLEQRC-UHFFFAOYSA-N -1 1 368.256 2.493 20 0 FEADMM CCOC(=O)[C@@H](C)CNC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000175157914 327377322 /nfs/dbraw/zinc/37/73/22/327377322.db2.gz GBJMNMZMXBXWBY-LBPRGKRZSA-N -1 1 362.455 2.232 20 0 FEADMM O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000175203291 327379690 /nfs/dbraw/zinc/37/96/90/327379690.db2.gz YFVFHEGMNCSMGP-UHFFFAOYSA-N -1 1 368.368 2.006 20 0 FEADMM O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1[O-] ZINC000175389698 327390174 /nfs/dbraw/zinc/39/01/74/327390174.db2.gz MTYKGTJDXXUUDP-ZDUSSCGKSA-N -1 1 371.418 2.354 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCc3ccc(F)cc32)ccc1[O-] ZINC000175691980 327407255 /nfs/dbraw/zinc/40/72/55/327407255.db2.gz IGOCAFPRLSTNAY-UHFFFAOYSA-N -1 1 350.371 2.241 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000176088296 327433446 /nfs/dbraw/zinc/43/34/46/327433446.db2.gz REWRZVHYPRBDQN-LBPRGKRZSA-N -1 1 358.467 2.154 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Br)o1 ZINC000177627251 327533984 /nfs/dbraw/zinc/53/39/84/327533984.db2.gz ZSEXWHVUOIPSQS-MRVPVSSYSA-N -1 1 364.217 2.216 20 0 FEADMM CCOC(=O)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000264372752 329015478 /nfs/dbraw/zinc/01/54/78/329015478.db2.gz HYZUZEQOGUBBRQ-UHFFFAOYSA-N -1 1 366.361 2.003 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000267032441 329284986 /nfs/dbraw/zinc/28/49/86/329284986.db2.gz RZDVNIDGGWKPQF-UHFFFAOYSA-N -1 1 368.397 2.163 20 0 FEADMM CCCCc1nnc([N-]C(=O)c2cc(S(=O)(=O)NC)cs2)s1 ZINC000267109040 329292645 /nfs/dbraw/zinc/29/26/45/329292645.db2.gz AORZCZDZFSMCLP-UHFFFAOYSA-N -1 1 360.486 2.103 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCC(F)(F)F)s1 ZINC000267168969 329298870 /nfs/dbraw/zinc/29/88/70/329298870.db2.gz HPIOQVRDFFNDOC-UHFFFAOYSA-N -1 1 361.363 2.164 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(C)(C)O)cc1 ZINC000267226096 329304199 /nfs/dbraw/zinc/30/41/99/329304199.db2.gz KBCJQWVXLAZWOF-UHFFFAOYSA-N -1 1 369.395 2.237 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CCCSC2)cc1[N-]S(C)(=O)=O ZINC000267404159 329323649 /nfs/dbraw/zinc/32/36/49/329323649.db2.gz XZERPMWSCKQDKQ-LLVKDONJSA-N -1 1 359.473 2.084 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CCCSC2)cc1[N-]S(C)(=O)=O ZINC000267404162 329323697 /nfs/dbraw/zinc/32/36/97/329323697.db2.gz XZERPMWSCKQDKQ-NSHDSACASA-N -1 1 359.473 2.084 20 0 FEADMM Cc1nc(C)c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])o1 ZINC000267479500 329331694 /nfs/dbraw/zinc/33/16/94/329331694.db2.gz BPAZAIVASWKXRO-UHFFFAOYSA-N -1 1 365.411 2.034 20 0 FEADMM CCC[C@H](NC(=O)CCSc1ccc(OC)c(OC)c1)c1nn[n-]n1 ZINC000268134488 329388859 /nfs/dbraw/zinc/38/88/59/329388859.db2.gz CAVGKTPQMUYWCN-LBPRGKRZSA-N -1 1 365.459 2.357 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1ccc(OC)cc1C(F)(F)F ZINC000269974221 329565101 /nfs/dbraw/zinc/56/51/01/329565101.db2.gz PAEFAYDUXHLZLR-UHFFFAOYSA-N -1 1 357.350 2.119 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CN2CCOCC2)c1 ZINC000270049699 329570790 /nfs/dbraw/zinc/57/07/90/329570790.db2.gz MWEUZAWQXDHGHI-UHFFFAOYSA-N -1 1 369.421 2.435 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccnc1OCC(F)F ZINC000270995712 329653093 /nfs/dbraw/zinc/65/30/93/329653093.db2.gz FJEKRQKZAMIPNK-UHFFFAOYSA-N -1 1 370.381 2.181 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@H](C)CS(=O)(=O)CC)cc(Cl)c1[O-] ZINC000273971421 329906170 /nfs/dbraw/zinc/90/61/70/329906170.db2.gz RQIPUSXJKIDAGO-SNVBAGLBSA-N -1 1 363.863 2.340 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3csc(C(C)C)n3)no2)o1 ZINC000273983457 329907039 /nfs/dbraw/zinc/90/70/39/329907039.db2.gz XZKKWWWLHQKLJP-UHFFFAOYSA-N -1 1 368.440 2.408 20 0 FEADMM CSc1n[nH]c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000275015588 330002388 /nfs/dbraw/zinc/00/23/88/330002388.db2.gz CMFVWUALKWASAV-UHFFFAOYSA-N -1 1 352.363 2.487 20 0 FEADMM CSc1nnc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)s1 ZINC000275670000 330076282 /nfs/dbraw/zinc/07/62/82/330076282.db2.gz XDRXPJNPNWQVBQ-UHFFFAOYSA-N -1 1 351.425 2.158 20 0 FEADMM CCOCC(C)(C)CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000288699739 330185903 /nfs/dbraw/zinc/18/59/03/330185903.db2.gz FBDJKHWVZIZBJE-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@]1(O)CCC[C@H]1C ZINC000294187011 330191114 /nfs/dbraw/zinc/19/11/14/330191114.db2.gz NMQJDOZAPZNOEC-ZUOKHONESA-N -1 1 370.453 2.153 20 0 FEADMM C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)O1 ZINC000367094684 330216206 /nfs/dbraw/zinc/21/62/06/330216206.db2.gz ZVNVIBDWOZWLKE-HYRRULHTSA-N -1 1 353.785 2.011 20 0 FEADMM C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)O1 ZINC000367094686 330216282 /nfs/dbraw/zinc/21/62/82/330216282.db2.gz ZVNVIBDWOZWLKE-XDPNNTCOSA-N -1 1 353.785 2.011 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000367124281 330219649 /nfs/dbraw/zinc/21/96/49/330219649.db2.gz FFNYFKABCRJPNH-ZBEGNZNMSA-N -1 1 374.418 2.398 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367169998 330225312 /nfs/dbraw/zinc/22/53/12/330225312.db2.gz GSRDAULIAVACLR-OAQYLSRUSA-N -1 1 363.417 2.089 20 0 FEADMM COCCC(C)(C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000377932034 330252883 /nfs/dbraw/zinc/25/28/83/330252883.db2.gz MIUAGBMRVXEMDR-UHFFFAOYSA-N -1 1 358.442 2.417 20 0 FEADMM O=C(Cc1cccc(OCC(F)(F)F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000433155425 330273692 /nfs/dbraw/zinc/27/36/92/330273692.db2.gz XUZVCDBBUIPTQU-UHFFFAOYSA-N -1 1 369.347 2.269 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)ccc1C ZINC000477247225 561140260 /nfs/dbraw/zinc/14/02/60/561140260.db2.gz HVESHFMBVMZOIO-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM O=S(=O)(Oc1cccc2cc(Br)cnc21)c1c[n-]cn1 ZINC000805124388 674320722 /nfs/dbraw/zinc/32/07/22/674320722.db2.gz LIPWTHBPPKKAKK-UHFFFAOYSA-N -1 1 354.185 2.488 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cnccc1OC ZINC000805429263 674336489 /nfs/dbraw/zinc/33/64/89/674336489.db2.gz AXDYZIIYFDRJAS-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM O=C(NC[C@H]1CCCCS1(=O)=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000554864217 674338913 /nfs/dbraw/zinc/33/89/13/674338913.db2.gz VOEGANCGSXTGOO-LLVKDONJSA-N -1 1 368.842 2.291 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cn1 ZINC000555753335 674374874 /nfs/dbraw/zinc/37/48/74/674374874.db2.gz FKIBMVBRYJJYGB-HNNXBMFYSA-N -1 1 350.444 2.089 20 0 FEADMM O=C([O-])CCCCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000274974560 550568603 /nfs/dbraw/zinc/56/86/03/550568603.db2.gz WVLSWKZAHVDVFA-UHFFFAOYSA-N -1 1 372.187 2.261 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N(C1CC1)C1COC1 ZINC000295845125 553066766 /nfs/dbraw/zinc/06/67/66/553066766.db2.gz VXJRFWGYHIZGAY-UHFFFAOYSA-N -1 1 359.163 2.000 20 0 FEADMM O=C(Cc1cccc(OC(F)(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155575849 545544547 /nfs/dbraw/zinc/54/45/47/545544547.db2.gz BLPFTRZRZFVQOW-NSHDSACASA-N -1 1 355.320 2.047 20 0 FEADMM O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155642689 545553183 /nfs/dbraw/zinc/55/31/83/545553183.db2.gz TWBMTHGHOMFPHR-AWEZNQCLSA-N -1 1 365.397 2.147 20 0 FEADMM CCNc1ncc(C(=O)Nc2ccc(F)c(-n3c([O-])c[nH]c3=O)c2)s1 ZINC000482332557 538624154 /nfs/dbraw/zinc/62/41/54/538624154.db2.gz YNJRIWJXYDCJPQ-UHFFFAOYSA-N -1 1 363.374 2.023 20 0 FEADMM Cc1ccc2cccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)c2n1 ZINC000155711467 545560578 /nfs/dbraw/zinc/56/05/78/545560578.db2.gz HAWNXTUBAXYYEL-UHFFFAOYSA-N -1 1 361.361 2.441 20 0 FEADMM O=C(NCCO)c1ccc(=NCCCO[C@@H]2CCCc3ccccc32)[n-]n1 ZINC000488390065 538736375 /nfs/dbraw/zinc/73/63/75/538736375.db2.gz NMGCWUGGZGMRGM-GOSISDBHSA-N -1 1 370.453 2.095 20 0 FEADMM O=C(NCc1ccc(O)c(F)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000156036426 545594475 /nfs/dbraw/zinc/59/44/75/545594475.db2.gz VXAPOEQBYKXDBY-UHFFFAOYSA-N -1 1 358.417 2.390 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nc(C)co3)c2)co1 ZINC000156512722 545632639 /nfs/dbraw/zinc/63/26/39/545632639.db2.gz LERGJPGNDOUQOO-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)co1 ZINC000157798799 545786526 /nfs/dbraw/zinc/78/65/26/545786526.db2.gz ZLACIZMWVZQSQC-UHFFFAOYSA-N -1 1 364.301 2.339 20 0 FEADMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000158430352 545859126 /nfs/dbraw/zinc/85/91/26/545859126.db2.gz MQTJTMJXWCSXOW-MRVPVSSYSA-N -1 1 372.231 2.413 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nn1-c1ccc(Cl)cc1 ZINC000478075755 561159546 /nfs/dbraw/zinc/15/95/46/561159546.db2.gz AJWWTCLBUXDEPA-SNVBAGLBSA-N -1 1 359.821 2.223 20 0 FEADMM O=S(=O)(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ncn[n-]1 ZINC000160010460 545999113 /nfs/dbraw/zinc/99/91/13/545999113.db2.gz HTNHOKMAADZQST-UHFFFAOYSA-N -1 1 358.301 2.452 20 0 FEADMM O=S(=O)(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1nc[n-]n1 ZINC000160010460 545999118 /nfs/dbraw/zinc/99/91/18/545999118.db2.gz HTNHOKMAADZQST-UHFFFAOYSA-N -1 1 358.301 2.452 20 0 FEADMM Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3nc([O-])n[nH]3)cc12 ZINC000478544313 561169204 /nfs/dbraw/zinc/16/92/04/561169204.db2.gz WQMJBDSWAWMOAV-UHFFFAOYSA-N -1 1 354.395 2.149 20 0 FEADMM C[C@H](CN(C)C(=O)CCn1c2ccccc2nc1C1CC1)c1nn[n-]n1 ZINC000478594206 561170548 /nfs/dbraw/zinc/17/05/48/561170548.db2.gz GJXIOPPQYPRQAD-GFCCVEGCSA-N -1 1 353.430 2.079 20 0 FEADMM Cc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1NC(=O)NC(C)(C)C ZINC000478604838 561170957 /nfs/dbraw/zinc/17/09/57/561170957.db2.gz YOMJTOJVOCWYHM-GFCCVEGCSA-N -1 1 373.461 2.304 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000478694850 561172907 /nfs/dbraw/zinc/17/29/07/561172907.db2.gz BNYNWTOSDKHZHY-UHFFFAOYSA-N -1 1 363.391 2.058 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)o1 ZINC000478786067 561174837 /nfs/dbraw/zinc/17/48/37/561174837.db2.gz ZKQFXISQUBLOKM-JSGCOSHPSA-N -1 1 359.444 2.328 20 0 FEADMM O=S(=O)([N-]CCSCCCO)c1cc(Cl)sc1Cl ZINC000161320718 546120178 /nfs/dbraw/zinc/12/01/78/546120178.db2.gz MFENVVROCZMMIG-UHFFFAOYSA-N -1 1 350.314 2.449 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)o1 ZINC000479180126 561183631 /nfs/dbraw/zinc/18/36/31/561183631.db2.gz JHLGNSVQYUPSCE-UHFFFAOYSA-N -1 1 353.396 2.204 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1)OCO2 ZINC000479248927 561185850 /nfs/dbraw/zinc/18/58/50/561185850.db2.gz GGYGPHATZKOSGE-JOCHJYFZSA-N -1 1 353.421 2.262 20 0 FEADMM O=C1COc2cc([N-]S(=O)(=O)c3ccc4ncsc4c3)ccc2N1 ZINC000479484948 561190491 /nfs/dbraw/zinc/19/04/91/561190491.db2.gz AITJGXDDHLEMHA-UHFFFAOYSA-N -1 1 361.404 2.428 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c1 ZINC000480038061 561201665 /nfs/dbraw/zinc/20/16/65/561201665.db2.gz AXYXYPJZUVJYGD-CYBMUJFWSA-N -1 1 369.370 2.398 20 0 FEADMM CCC[C@@H](NC(=O)c1ccccc1I)c1nn[n-]n1 ZINC000176756380 546484417 /nfs/dbraw/zinc/48/44/17/546484417.db2.gz LSTNGWUFGJHWNH-SNVBAGLBSA-N -1 1 371.182 2.076 20 0 FEADMM CCC[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1nn[n-]n1 ZINC000176767339 546485024 /nfs/dbraw/zinc/48/50/24/546485024.db2.gz ORIKUMFXWOXJPT-AWEZNQCLSA-N -1 1 356.455 2.447 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(C)n(Cc2ccccn2)c1C)c1nn[n-]n1 ZINC000176779575 546487292 /nfs/dbraw/zinc/48/72/92/546487292.db2.gz OEAWSRVJNDQOND-MRXNPFEDSA-N -1 1 353.430 2.333 20 0 FEADMM CNC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000481576309 561236460 /nfs/dbraw/zinc/23/64/60/561236460.db2.gz YCAPFKFVVSMGOD-AWEZNQCLSA-N -1 1 354.378 2.121 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2O)cc1C(=O)[O-] ZINC000481618288 561237384 /nfs/dbraw/zinc/23/73/84/561237384.db2.gz DMGDUVNSRBBHOY-UHFFFAOYSA-N -1 1 355.343 2.429 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)s2)c(=O)n(C)c1 ZINC000481614013 561237470 /nfs/dbraw/zinc/23/74/70/561237470.db2.gz VWHDMELSSFEEMK-UHFFFAOYSA-N -1 1 363.258 2.319 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)co1 ZINC000179284328 546925267 /nfs/dbraw/zinc/92/52/67/546925267.db2.gz NAAPKKUWQCTBDK-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000179538419 546973178 /nfs/dbraw/zinc/97/31/78/546973178.db2.gz OAPSFKOREILKMS-RYUDHWBXSA-N -1 1 368.361 2.060 20 0 FEADMM O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)[N-]CC(F)F)C1 ZINC000180342018 547088130 /nfs/dbraw/zinc/08/81/30/547088130.db2.gz GGKQXCWHXNZWNJ-LBPRGKRZSA-N -1 1 366.817 2.129 20 0 FEADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000180360073 547091798 /nfs/dbraw/zinc/09/17/98/547091798.db2.gz NASQBOVEARYXFH-SNVBAGLBSA-N -1 1 351.346 2.060 20 0 FEADMM CCN(CC)c1ccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000180409446 547104172 /nfs/dbraw/zinc/10/41/72/547104172.db2.gz QZUIRHCKGVURPQ-UHFFFAOYSA-N -1 1 367.453 2.416 20 0 FEADMM O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000180986216 547224930 /nfs/dbraw/zinc/22/49/30/547224930.db2.gz LOKRJARJWLZPAO-HOTGVXAUSA-N -1 1 371.343 2.461 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1nc(-c3ccncc3)cs1)c2=O ZINC000181907822 547402333 /nfs/dbraw/zinc/40/23/33/547402333.db2.gz BGZAURKFWSFIQM-UHFFFAOYSA-N -1 1 366.406 2.122 20 0 FEADMM CNS(=O)(=O)c1csc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1 ZINC000182722799 547540902 /nfs/dbraw/zinc/54/09/02/547540902.db2.gz SQARIXGDQQENPL-UHFFFAOYSA-N -1 1 369.472 2.005 20 0 FEADMM CC(C)(CNC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000484284377 561295492 /nfs/dbraw/zinc/29/54/92/561295492.db2.gz WXEQGUPCWDGMQY-UHFFFAOYSA-N -1 1 361.829 2.264 20 0 FEADMM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)n2)n[nH]1 ZINC000183274026 547630106 /nfs/dbraw/zinc/63/01/06/547630106.db2.gz ZXJWNCGKHLWMID-UHFFFAOYSA-N -1 1 357.345 2.472 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000484198214 561293478 /nfs/dbraw/zinc/29/34/78/561293478.db2.gz YBRKPVQKSCJSNL-AWEZNQCLSA-N -1 1 371.412 2.452 20 0 FEADMM CCOc1ccc(C=CC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1OCC ZINC000183399507 547650793 /nfs/dbraw/zinc/65/07/93/547650793.db2.gz DZYYLIRBSGMEFA-FROQITRMSA-N -1 1 359.430 2.272 20 0 FEADMM Cc1nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nn1-c1ccccc1C(C)C ZINC000183405718 547651973 /nfs/dbraw/zinc/65/19/73/547651973.db2.gz WXZLSIWJJRVJTK-GFCCVEGCSA-N -1 1 368.445 2.088 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183437379 547659330 /nfs/dbraw/zinc/65/93/30/547659330.db2.gz DLSGGPILZOKFPP-SNVBAGLBSA-N -1 1 359.821 2.223 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)cs1 ZINC000484796821 561306313 /nfs/dbraw/zinc/30/63/13/561306313.db2.gz MTDQNNHKUWSLTR-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185007252 547916806 /nfs/dbraw/zinc/91/68/06/547916806.db2.gz MWNZSPGGMATKIZ-RXMQYKEDSA-N -1 1 363.060 2.415 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)c1 ZINC000485265977 561315922 /nfs/dbraw/zinc/31/59/22/561315922.db2.gz CGVBBOAXOYZMNI-UHFFFAOYSA-N -1 1 373.434 2.248 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc(C(=O)[O-])c1Cl ZINC000185106406 547935235 /nfs/dbraw/zinc/93/52/35/547935235.db2.gz FFMTYBWIBRNFLT-GHMZBOCLSA-N -1 1 372.874 2.250 20 0 FEADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000485535883 561321659 /nfs/dbraw/zinc/32/16/59/561321659.db2.gz CXOIAFQNXHVFMM-INIZCTEOSA-N -1 1 355.438 2.305 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1 ZINC000485862099 561330271 /nfs/dbraw/zinc/33/02/71/561330271.db2.gz CYIMGTOVGZQVPS-UHFFFAOYSA-N -1 1 372.493 2.117 20 0 FEADMM COCCO[C@H]1COCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000486031298 561336043 /nfs/dbraw/zinc/33/60/43/561336043.db2.gz SXTIGAMIOQDOPA-CVEARBPZSA-N -1 1 374.441 2.093 20 0 FEADMM COC(=O)[C@@H](C)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486063195 561337162 /nfs/dbraw/zinc/33/71/62/561337162.db2.gz IOWGTCCXKGARDV-QMMMGPOBSA-N -1 1 367.199 2.242 20 0 FEADMM COc1c(Cl)cc(NC(=O)CNC(=O)c2ncccc2[O-])cc1Cl ZINC000486237728 561341862 /nfs/dbraw/zinc/34/18/62/561341862.db2.gz QNPPQWVIXZYBBA-UHFFFAOYSA-N -1 1 370.192 2.471 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)o1 ZINC000486359723 561345153 /nfs/dbraw/zinc/34/51/53/561345153.db2.gz RTUUJVBQGIUSAZ-UHFFFAOYSA-N -1 1 362.407 2.423 20 0 FEADMM O=C([O-])CCCOc1ccc(CNC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000486410788 561346506 /nfs/dbraw/zinc/34/65/06/561346506.db2.gz ZLNLLGFZXJYBKV-UHFFFAOYSA-N -1 1 354.366 2.132 20 0 FEADMM CCc1cc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)ccc1F ZINC000486501486 561349035 /nfs/dbraw/zinc/34/90/35/561349035.db2.gz DKQHWMOVYMBZKQ-UHFFFAOYSA-N -1 1 350.423 2.176 20 0 FEADMM CN(C)c1noc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000193974388 548416113 /nfs/dbraw/zinc/41/61/13/548416113.db2.gz BIZIOWANDVENGU-UHFFFAOYSA-N -1 1 365.242 2.062 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1 ZINC000486574547 561351237 /nfs/dbraw/zinc/35/12/37/561351237.db2.gz WPYMBNIDOVKGSH-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM C[C@@H]1C[C@H]1c1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)n[nH]1 ZINC000194551009 548497451 /nfs/dbraw/zinc/49/74/51/548497451.db2.gz XRBHWDYCAOXNJA-ZYHUDNBSSA-N -1 1 365.393 2.155 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCOc2cccc(C)c2C)c1 ZINC000486844706 561358160 /nfs/dbraw/zinc/35/81/60/561358160.db2.gz LBJQWIQXXSBBHT-UHFFFAOYSA-N -1 1 367.423 2.430 20 0 FEADMM O=S(=O)(C[C@@H]1CCCO1)c1nnc(-c2ccccc2Br)[n-]1 ZINC000195110641 548578136 /nfs/dbraw/zinc/57/81/36/548578136.db2.gz OFVOTOMQHOBZEB-VIFPVBQESA-N -1 1 372.244 2.187 20 0 FEADMM O=S(=O)(C[C@@H]1CCCO1)c1n[n-]c(-c2ccccc2Br)n1 ZINC000195110641 548578140 /nfs/dbraw/zinc/57/81/40/548578140.db2.gz OFVOTOMQHOBZEB-VIFPVBQESA-N -1 1 372.244 2.187 20 0 FEADMM CN(C)C(=O)CCCCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195111809 548578309 /nfs/dbraw/zinc/57/83/09/548578309.db2.gz IJJPISYYMNYKHV-UHFFFAOYSA-N -1 1 370.862 2.157 20 0 FEADMM CN(C)C(=O)CCCCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195111809 548578313 /nfs/dbraw/zinc/57/83/13/548578313.db2.gz IJJPISYYMNYKHV-UHFFFAOYSA-N -1 1 370.862 2.157 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cnc(C)s3)n2)cc1 ZINC000195122079 548580475 /nfs/dbraw/zinc/58/04/75/548580475.db2.gz DTWWAKTXRVXQQJ-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3cnc(C)s3)n[n-]2)cc1 ZINC000195122079 548580479 /nfs/dbraw/zinc/58/04/79/548580479.db2.gz DTWWAKTXRVXQQJ-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2cn3cc(Cl)ccc3n2)n[n-]1 ZINC000195173554 548589937 /nfs/dbraw/zinc/58/99/37/548589937.db2.gz CKCBYBSKOIBCJE-UHFFFAOYSA-N -1 1 353.835 2.377 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1(CC)CC ZINC000487123651 561364247 /nfs/dbraw/zinc/36/42/47/561364247.db2.gz WMLGNBVWRQPMDF-QWHCGFSZSA-N -1 1 359.444 2.328 20 0 FEADMM O=C([O-])CCN1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000238164542 548880760 /nfs/dbraw/zinc/88/07/60/548880760.db2.gz WQHLBKZSPBJPHC-LJQANCHMSA-N -1 1 370.424 2.386 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)Cc1ccncc1 ZINC000487855966 561377453 /nfs/dbraw/zinc/37/74/53/561377453.db2.gz GCPBKXNEWPFPNW-GFCCVEGCSA-N -1 1 353.426 2.127 20 0 FEADMM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000488331042 561388112 /nfs/dbraw/zinc/38/81/12/561388112.db2.gz LWOXXVBBOPJSIM-LLVKDONJSA-N -1 1 365.411 2.118 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n[nH]1 ZINC000248515427 549452556 /nfs/dbraw/zinc/45/25/56/549452556.db2.gz FZYSTFUBXUJNHR-WQVCFCJDSA-N -1 1 371.441 2.285 20 0 FEADMM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1C(N)=O ZINC000489699005 561417163 /nfs/dbraw/zinc/41/71/63/561417163.db2.gz LONWPGBPVYRMDK-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(N)=O ZINC000490103020 561426703 /nfs/dbraw/zinc/42/67/03/561426703.db2.gz ZVIZPMHSQBPZGY-BMIGLBTASA-N -1 1 370.833 2.415 20 0 FEADMM Cc1cnc(C(=O)N(CCO)Cc2cccc(Br)c2)c([O-])c1 ZINC000490233328 561429325 /nfs/dbraw/zinc/42/93/25/561429325.db2.gz BRKVLJMKWFCWPN-UHFFFAOYSA-N -1 1 365.227 2.493 20 0 FEADMM O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)C2 ZINC000262128390 549791259 /nfs/dbraw/zinc/79/12/59/549791259.db2.gz KKSGVHGMYFIXCA-SCLBCKFNSA-N -1 1 366.845 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/nfs/dbraw/zinc/07/61/93/550076193.db2.gz NIMDNICPGKEMRB-UHFFFAOYSA-N -1 1 359.444 2.332 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000269108630 550156473 /nfs/dbraw/zinc/15/64/73/550156473.db2.gz BSVHGTLMVVYPMF-NEPJUHHUSA-N -1 1 351.472 2.135 20 0 FEADMM CC[C@H](NC(=O)c1cncc([O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270078996 550247785 /nfs/dbraw/zinc/24/77/85/550247785.db2.gz DHXSQHKQZKQKDD-ROUUACIJSA-N -1 1 351.410 2.485 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000270393915 550268265 /nfs/dbraw/zinc/26/82/65/550268265.db2.gz YIARITKIRFZHQT-HUUCEWRRSA-N -1 1 373.453 2.003 20 0 FEADMM CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])[C@H]1CCOC1 ZINC000271298749 550362523 /nfs/dbraw/zinc/36/25/23/550362523.db2.gz QLXZOLOHCVMOPL-JTQLQIEISA-N -1 1 362.304 2.364 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000272015009 550416241 /nfs/dbraw/zinc/41/62/41/550416241.db2.gz DPRKUSYKNPGJFZ-BDAKNGLRSA-N -1 1 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/nfs/dbraw/zinc/28/97/04/554289704.db2.gz OBDVKYGFMUEMHX-NWDGAFQWSA-N -1 1 363.462 2.824 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@](C)(O)C3)c2)c1 ZINC000331682775 554307729 /nfs/dbraw/zinc/30/77/29/554307729.db2.gz QZDVCZLMAITKOI-IBGZPJMESA-N -1 1 374.462 2.393 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc(Cl)c1[O-] ZINC000331714855 554313562 /nfs/dbraw/zinc/31/35/62/554313562.db2.gz FQSPUCYISVBSAG-NSHDSACASA-N -1 1 350.806 2.198 20 0 FEADMM C[C@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)n1ccc2ccccc2c1=O ZINC000509265792 561793075 /nfs/dbraw/zinc/79/30/75/561793075.db2.gz WJMCVLNKZTWILA-GFCCVEGCSA-N -1 1 368.393 2.057 20 0 FEADMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1cccc2c1OCO2 ZINC000509380630 561797209 /nfs/dbraw/zinc/79/72/09/561797209.db2.gz WQPXSLXHGWATQR-UHFFFAOYSA-N -1 1 362.342 2.140 20 0 FEADMM CCC1(CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CCCCC1 ZINC000331932594 554348534 /nfs/dbraw/zinc/34/85/34/554348534.db2.gz LJEQNYSOFHJBLQ-UHFFFAOYSA-N -1 1 352.508 2.312 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)o1 ZINC000332020498 554365241 /nfs/dbraw/zinc/36/52/41/554365241.db2.gz SHOVVXUJOGEPSA-GHMZBOCLSA-N -1 1 366.414 2.475 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)n1 ZINC000332091083 554378228 /nfs/dbraw/zinc/37/82/28/554378228.db2.gz LRIBNZJJYSHEBR-YUMQZZPRSA-N -1 1 357.819 2.394 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Br)cc1F ZINC000509898736 561817789 /nfs/dbraw/zinc/81/77/89/561817789.db2.gz MQFVAQFEVBQGSX-UHFFFAOYSA-N -1 1 368.162 2.057 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(F)c(COCCOC)c2)n1 ZINC000510031668 561822670 /nfs/dbraw/zinc/82/26/70/561822670.db2.gz YGWPDWYULVQWGH-UHFFFAOYSA-N -1 1 365.361 2.141 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000332603261 554481445 /nfs/dbraw/zinc/48/14/45/554481445.db2.gz IFHBQBUXMZZLIY-CMPLNLGQSA-N -1 1 352.460 2.241 20 0 FEADMM Cc1nc(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)[n-]c(=O)c1C ZINC000332640897 554488818 /nfs/dbraw/zinc/48/88/18/554488818.db2.gz ZPSSXLLJSCAZBQ-NSHDSACASA-N -1 1 352.460 2.438 20 0 FEADMM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)CC2 ZINC000332670540 554493880 /nfs/dbraw/zinc/49/38/80/554493880.db2.gz RRZJQCOVGBYIOC-LLVKDONJSA-N -1 1 372.853 2.487 20 0 FEADMM COc1cccc(-c2nc(=NC(=O)N3CCN(C)[C@H](C)[C@H]3C)s[n-]2)c1 ZINC000332672951 554494520 /nfs/dbraw/zinc/49/45/20/554494520.db2.gz NKTWTBDNRWHIKN-VXGBXAGGSA-N -1 1 361.471 2.192 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)s1 ZINC000510559581 561838985 /nfs/dbraw/zinc/83/89/85/561838985.db2.gz NFKUGZDWWSPVSI-UHFFFAOYSA-N -1 1 373.374 2.164 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000333003705 554557107 /nfs/dbraw/zinc/55/71/07/554557107.db2.gz KWFHEICAOWJZDC-GXTWGEPZSA-N -1 1 373.457 2.172 20 0 FEADMM O=C(N[C@@H]1CCCOC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000333082239 554569056 /nfs/dbraw/zinc/56/90/56/554569056.db2.gz QTGQWRWMIMZXMB-QAPCUYQASA-N -1 1 368.433 2.445 20 0 FEADMM NC(=O)c1cccc(Cc2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)c1 ZINC000350007221 554753757 /nfs/dbraw/zinc/75/37/57/554753757.db2.gz OKSDWRCXNDJBTR-UHFFFAOYSA-N -1 1 373.372 2.380 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000511204319 561861373 /nfs/dbraw/zinc/86/13/73/561861373.db2.gz KFBHALBCNYWZBI-GJZGRUSLSA-N -1 1 373.453 2.048 20 0 FEADMM COC(=O)[C@@H]1C[C@@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000350566289 554797976 /nfs/dbraw/zinc/79/79/76/554797976.db2.gz NPDFQKBJSIOPLE-JGVFFNPUSA-N -1 1 369.171 2.490 20 0 FEADMM O=C1CNC(=O)N1Cc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000350566062 554797994 /nfs/dbraw/zinc/79/79/94/554797994.db2.gz CWULAKVENGPJCY-UHFFFAOYSA-N -1 1 368.324 2.300 20 0 FEADMM COCCC1(c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CCC1 ZINC000351264137 554848052 /nfs/dbraw/zinc/84/80/52/554848052.db2.gz YWGUONQUSFJJRR-UHFFFAOYSA-N -1 1 357.457 2.068 20 0 FEADMM Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)o1 ZINC000361763445 554933257 /nfs/dbraw/zinc/93/32/57/554933257.db2.gz OIQLIVRYIZQGDK-UHFFFAOYSA-N -1 1 373.390 2.473 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)c1cccnc1 ZINC000363134928 555038081 /nfs/dbraw/zinc/03/80/81/555038081.db2.gz NEWNXNGLYXYHAN-UHFFFAOYSA-N -1 1 359.813 2.475 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(O)CCCCC1 ZINC000363280166 555069700 /nfs/dbraw/zinc/06/97/00/555069700.db2.gz JIKQKZMIAUPGGY-UHFFFAOYSA-N -1 1 370.453 2.297 20 0 FEADMM C[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000363352168 555084008 /nfs/dbraw/zinc/08/40/08/555084008.db2.gz MDLMMFOQCFTOJZ-UWJYYQICSA-N -1 1 368.433 2.133 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@](C)(O)C(C)C ZINC000363573884 555140339 /nfs/dbraw/zinc/14/03/39/555140339.db2.gz XWPHPXRWQFEZIU-IBGZPJMESA-N -1 1 358.442 2.008 20 0 FEADMM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363846332 555198196 /nfs/dbraw/zinc/19/81/96/555198196.db2.gz BURULWNCDJEBQR-CYBMUJFWSA-N -1 1 361.442 2.187 20 0 FEADMM Cc1ncsc1C(=O)N1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000364219514 555272715 /nfs/dbraw/zinc/27/27/15/555272715.db2.gz NBOOULWTNYCHDB-UHFFFAOYSA-N -1 1 363.414 2.285 20 0 FEADMM C[C@@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000364647587 555362330 /nfs/dbraw/zinc/36/23/30/555362330.db2.gz SGQRJGIVYZCUDR-GWCFXTLKSA-N -1 1 369.347 2.312 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)c1 ZINC000512767714 561914689 /nfs/dbraw/zinc/91/46/89/561914689.db2.gz SYXHQPVWVBJKQH-UHFFFAOYSA-N -1 1 361.423 2.075 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)cc1F ZINC000512772243 561914741 /nfs/dbraw/zinc/91/47/41/561914741.db2.gz XCJVWLCSIILIMH-UHFFFAOYSA-N -1 1 365.386 2.076 20 0 FEADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000617366261 555426948 /nfs/dbraw/zinc/42/69/48/555426948.db2.gz XXXQMUNGBPRLCV-QMMMGPOBSA-N -1 1 358.345 2.488 20 0 FEADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000364984919 555457095 /nfs/dbraw/zinc/45/70/95/555457095.db2.gz UZTDAYSUCZBVTC-VCTAVGKDSA-N -1 1 365.499 2.465 20 0 FEADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C12CCC2 ZINC000364984920 555457114 /nfs/dbraw/zinc/45/71/14/555457114.db2.gz UZTDAYSUCZBVTC-WKPIXPDZSA-N -1 1 365.499 2.465 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)C[C@H]1C ZINC000365328788 555544104 /nfs/dbraw/zinc/54/41/04/555544104.db2.gz ULCRETJWYBMTQI-CQSZACIVSA-N -1 1 374.485 2.051 20 0 FEADMM O=C(CN1CCC(c2noc(C(F)F)n2)CC1)[N-]OCc1ccccc1 ZINC000365889669 555693612 /nfs/dbraw/zinc/69/36/12/555693612.db2.gz UHBVTBXGONBLDG-UHFFFAOYSA-N -1 1 366.368 2.435 20 0 FEADMM O=C(N=c1ccn(C2CCOCC2)[nH]1)c1[n-]cnc1C(=O)c1ccccc1 ZINC000618907257 555694635 /nfs/dbraw/zinc/69/46/35/555694635.db2.gz RCERQAIYGXLUPU-UHFFFAOYSA-N -1 1 365.393 2.441 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2cc(F)ccc2OC)c1 ZINC000513797736 561950391 /nfs/dbraw/zinc/95/03/91/561950391.db2.gz PAXGHSYDPCKFCR-VIFPVBQESA-N -1 1 357.359 2.253 20 0 FEADMM COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000513813105 561950952 /nfs/dbraw/zinc/95/09/52/561950952.db2.gz XQMARXMROFKVJG-UHFFFAOYSA-N -1 1 363.391 2.210 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c1 ZINC000513846790 561952378 /nfs/dbraw/zinc/95/23/78/561952378.db2.gz WRMOHJKHGAQCJO-AWEZNQCLSA-N -1 1 367.448 2.375 20 0 FEADMM O=S(=O)([N-]c1cc(-c2ccncc2)n[nH]1)c1ccc2c(c1)OCCCO2 ZINC000366432247 555841957 /nfs/dbraw/zinc/84/19/57/555841957.db2.gz TXEWIWSOEPADDB-UHFFFAOYSA-N -1 1 372.406 2.434 20 0 FEADMM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000555847636 674378479 /nfs/dbraw/zinc/37/84/79/674378479.db2.gz VELSXWJUOZIWPV-UHFFFAOYSA-N -1 1 363.439 2.460 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1-c1ccccc1Cl ZINC000366639241 555897140 /nfs/dbraw/zinc/89/71/40/555897140.db2.gz LUBREQKSGKXSLX-LBPRGKRZSA-N -1 1 371.832 2.367 20 0 FEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1COC1 ZINC000514654722 561971700 /nfs/dbraw/zinc/97/17/00/561971700.db2.gz MSYNPYDTFHUDCX-UHFFFAOYSA-N -1 1 360.435 2.348 20 0 FEADMM O=C1CC[C@@H](N=c2nc(C(Cl)(Cl)Cl)[n-]s2)[C@H](C2CC2)N1 ZINC000367419258 556043181 /nfs/dbraw/zinc/04/31/81/556043181.db2.gz NAMMVWFTKPGJBN-SVRRBLITSA-N -1 1 355.678 2.256 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1c1ccc3c(c1)OCO3)c2=O ZINC000367524467 556073225 /nfs/dbraw/zinc/07/32/25/556073225.db2.gz MRCJHPBRCHUOME-CQSZACIVSA-N -1 1 366.377 2.380 20 0 FEADMM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000367704128 556119422 /nfs/dbraw/zinc/11/94/22/556119422.db2.gz IMYWXGVOAXMSGD-KRWDZBQOSA-N -1 1 369.421 2.422 20 0 FEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)CCOCC1CCCC1 ZINC000514924606 561986976 /nfs/dbraw/zinc/98/69/76/561986976.db2.gz XIIVTIMIIXUCQD-UHFFFAOYSA-N -1 1 357.428 2.342 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cncc(-c2ccccn2)c1 ZINC000367985196 556187810 /nfs/dbraw/zinc/18/78/10/556187810.db2.gz UUAKDSNEZNWGLP-UHFFFAOYSA-N -1 1 374.404 2.439 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000368037114 556200935 /nfs/dbraw/zinc/20/09/35/556200935.db2.gz LSVQUNCOXAMRFB-CQSZACIVSA-N -1 1 374.387 2.491 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N=c3ccn(C4CCOCC4)[nH]3)cnc2n1 ZINC000622173849 556240337 /nfs/dbraw/zinc/24/03/37/556240337.db2.gz JXWWDXCAARVUMW-UHFFFAOYSA-N -1 1 353.382 2.444 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1COc2ccccc21 ZINC000368500779 556327719 /nfs/dbraw/zinc/32/77/19/556327719.db2.gz DWDKJRAJFWUTRK-NHYWBVRUSA-N -1 1 373.775 2.374 20 0 FEADMM CCCCO[C@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368505213 556329311 /nfs/dbraw/zinc/32/93/11/556329311.db2.gz XYBMIUZZHDIQES-NOZJJQNGSA-N -1 1 355.801 2.403 20 0 FEADMM O=C(CCc1ccccn1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368638301 556370408 /nfs/dbraw/zinc/37/04/08/556370408.db2.gz YLUHNBKONRYARM-HNNXBMFYSA-N -1 1 360.780 2.226 20 0 FEADMM COC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368867650 556433473 /nfs/dbraw/zinc/43/34/73/556433473.db2.gz HUMZIPVEEOBOQR-SUMWQHHRSA-N -1 1 356.422 2.301 20 0 FEADMM C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC000368904928 556443806 /nfs/dbraw/zinc/44/38/06/556443806.db2.gz MLWYCOOYBAOKGD-AWEZNQCLSA-N -1 1 371.403 2.176 20 0 FEADMM CO[C@H](C)c1nc(=NC(=O)NC[C@H](c2ccco2)N2CCCC2)s[n-]1 ZINC000516215980 562036327 /nfs/dbraw/zinc/03/63/27/562036327.db2.gz LIRVAAIUHJPOIU-VXGBXAGGSA-N -1 1 365.459 2.219 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3csc(-c4ccco4)n3)ccnc1-2 ZINC000806487684 674378798 /nfs/dbraw/zinc/37/87/98/674378798.db2.gz CPWDFDSDRYHVIT-UHFFFAOYSA-N -1 1 354.395 2.380 20 0 FEADMM O=C([O-])c1cc(C(=O)N2CCC(c3cnc[nH]3)CC2)nn1-c1ccccc1 ZINC000516467648 562043837 /nfs/dbraw/zinc/04/38/37/562043837.db2.gz QIKCSMJEHIVBIE-UHFFFAOYSA-N -1 1 365.393 2.313 20 0 FEADMM C[C@@H]1CCCc2nc(S(=O)(=O)NCCN3[C@H](C)CCC[C@H]3C)cn21 ZINC000516747515 562056278 /nfs/dbraw/zinc/05/62/78/562056278.db2.gz GORDZCGAXNTILN-RBSFLKMASA-N -1 1 354.520 2.322 20 0 FEADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C2 ZINC000370233794 556818322 /nfs/dbraw/zinc/81/83/22/556818322.db2.gz SLORIFWZFUVAOR-NSHDSACASA-N -1 1 355.822 2.413 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)C3)cc1 ZINC000370273143 556826865 /nfs/dbraw/zinc/82/68/65/556826865.db2.gz QXGKRIYNHWFBOH-UHFFFAOYSA-N -1 1 373.434 2.308 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H]3CC(=O)N4CCCC[C@@H]34)nc2)[n-]c(=O)c1C ZINC000370286333 556830157 /nfs/dbraw/zinc/83/01/57/556830157.db2.gz UXIFTYWMQDAORF-CABCVRRESA-N -1 1 353.426 2.426 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2C[C@H](CO)c3ccccc32)c(=O)[n-]1 ZINC000370387804 556857133 /nfs/dbraw/zinc/85/71/33/556857133.db2.gz GTIYUWJGMXFDKG-WBMJQRKESA-N -1 1 373.478 2.482 20 0 FEADMM CCn1cc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c(-c2cnn(C)c2)n1 ZINC000370582601 556913976 /nfs/dbraw/zinc/91/39/76/556913976.db2.gz GHWZPRNVYNQEHT-UHFFFAOYSA-N -1 1 369.381 2.048 20 0 FEADMM CCc1oc2ccccc2c1C=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370857736 556993051 /nfs/dbraw/zinc/99/30/51/556993051.db2.gz ACWOSHPKJYWTRQ-KXPUMZMLSA-N -1 1 353.382 2.122 20 0 FEADMM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370870604 556997024 /nfs/dbraw/zinc/99/70/24/556997024.db2.gz VSJSLOKSNKPHFM-GFCCVEGCSA-N -1 1 356.213 2.039 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NC[C@](C)(O)c3ccccc3Cl)ccnc1-2 ZINC000806494801 674379033 /nfs/dbraw/zinc/37/90/33/674379033.db2.gz KZHUCSUKZZJPHO-KRWDZBQOSA-N -1 1 359.817 2.024 20 0 FEADMM CCc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cnn1Cc1ccccc1 ZINC000371298915 557136244 /nfs/dbraw/zinc/13/62/44/557136244.db2.gz ZZLMZVSKNVKHSF-HNNXBMFYSA-N -1 1 365.441 2.027 20 0 FEADMM COc1ccc(CC(=O)N2CCCN(Cc3nc(C)ccc3O)CC2)cc1 ZINC000371413538 557178193 /nfs/dbraw/zinc/17/81/93/557178193.db2.gz VDQGGHUGLQWGJR-UHFFFAOYSA-N -1 1 369.465 2.381 20 0 FEADMM Cn1cc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000517567941 562092788 /nfs/dbraw/zinc/09/27/88/562092788.db2.gz ZSBXBRGQRRAEOX-UHFFFAOYSA-N -1 1 356.245 2.472 20 0 FEADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000517734085 562096683 /nfs/dbraw/zinc/09/66/83/562096683.db2.gz VBXQTYQHHPKCAK-SWLSCSKDSA-N -1 1 357.410 2.437 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1COc2cccc(F)c21 ZINC000371678934 557260791 /nfs/dbraw/zinc/26/07/91/557260791.db2.gz BSSYDWFDBCSXRJ-AWEZNQCLSA-N -1 1 370.384 2.373 20 0 FEADMM COC(=O)[C@H]1C[C@@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)c2ccccc21 ZINC000371775291 557290213 /nfs/dbraw/zinc/29/02/13/557290213.db2.gz XHPFKAZXTCQPKD-QWHCGFSZSA-N -1 1 373.434 2.344 20 0 FEADMM O=C1N=NCN1c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000372117462 557383681 /nfs/dbraw/zinc/38/36/81/557383681.db2.gz SSRWCSPCKBNVLY-UHFFFAOYSA-N -1 1 367.390 2.322 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3nncn3C)ccn2)cc1F ZINC000372195022 557405775 /nfs/dbraw/zinc/40/57/75/557405775.db2.gz CQGIWDQTSJNUNX-UHFFFAOYSA-N -1 1 361.402 2.267 20 0 FEADMM CCOCCC1(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000372245019 557420279 /nfs/dbraw/zinc/42/02/79/557420279.db2.gz ZMODMUDBZIHZFG-UHFFFAOYSA-N -1 1 370.453 2.006 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCO[C@H](C2CC2)C1 ZINC000372371257 557453260 /nfs/dbraw/zinc/45/32/60/557453260.db2.gz WHGHFAUQUASKCF-ZDUSSCGKSA-N -1 1 373.190 2.248 20 0 FEADMM O=C([O-])C[C@@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)CCO1 ZINC000519759003 562142739 /nfs/dbraw/zinc/14/27/39/562142739.db2.gz LCSXVXRUTZWWNX-SNVBAGLBSA-N -1 1 354.204 2.001 20 0 FEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N=c1[n-]nc(-c2nccn2C)s1 ZINC000373103985 557629265 /nfs/dbraw/zinc/62/92/65/557629265.db2.gz KRDUNUYCMMJGJJ-UHFFFAOYSA-N -1 1 374.474 2.623 20 0 FEADMM Cc1nc(CN(CCC(=O)[O-])Cc2cccc(Br)c2)n[nH]1 ZINC000520241960 562151619 /nfs/dbraw/zinc/15/16/19/562151619.db2.gz SMXRWDXDDXWQDT-UHFFFAOYSA-N -1 1 353.220 2.353 20 0 FEADMM CN(Cc1ncc[nH]1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000520306147 562153040 /nfs/dbraw/zinc/15/30/40/562153040.db2.gz SXVAGJDLEMUQDQ-UHFFFAOYSA-N -1 1 370.434 2.483 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCC12CCOCC2 ZINC000375527295 558043421 /nfs/dbraw/zinc/04/34/21/558043421.db2.gz XMUWSCPKEFAISN-UHFFFAOYSA-N -1 1 373.190 2.392 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)cc1 ZINC000375580151 558052210 /nfs/dbraw/zinc/05/22/10/558052210.db2.gz CDMDUYZYMUERFY-UHFFFAOYSA-N -1 1 374.418 2.154 20 0 FEADMM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cn1 ZINC000375634822 558060078 /nfs/dbraw/zinc/06/00/78/558060078.db2.gz LWQJYFIQCURSIC-UHFFFAOYSA-N -1 1 357.439 2.349 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](F)(c3cccc(C)c3)C2)co1 ZINC000375859490 558090194 /nfs/dbraw/zinc/09/01/94/558090194.db2.gz ZREJDKOOFVIQRW-KRWDZBQOSA-N -1 1 366.414 2.207 20 0 FEADMM Cc1[nH]ncc1C1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000375921829 558100106 /nfs/dbraw/zinc/10/01/06/558100106.db2.gz KVCLSIBGXXOMMB-UHFFFAOYSA-N -1 1 362.455 2.109 20 0 FEADMM C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N=c1[n-]nc(-c2ccon2)s1 ZINC000376170548 558136439 /nfs/dbraw/zinc/13/64/39/558136439.db2.gz CXTMEVRCYXODPF-OCCSQVGLSA-N -1 1 356.455 2.911 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(c2ccccn2)CCC1 ZINC000376424640 558171366 /nfs/dbraw/zinc/17/13/66/558171366.db2.gz XHIMIKUBOIUALJ-UHFFFAOYSA-N -1 1 365.437 2.227 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1C ZINC000376547275 558188372 /nfs/dbraw/zinc/18/83/72/558188372.db2.gz IKOCMIVRAATODN-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC3CCN(c4cccs4)CC3)ccnc1-2 ZINC000376606174 558196804 /nfs/dbraw/zinc/19/68/04/558196804.db2.gz LHDSNMVDYJHDHO-STZFKDTASA-N -1 1 356.455 2.194 20 0 FEADMM Cc1ccccc1C1(O)CCN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000376611970 558197404 /nfs/dbraw/zinc/19/74/04/558197404.db2.gz SOJXDKSXJKCZSG-QJOMJCCJSA-N -1 1 365.437 2.166 20 0 FEADMM C[C@H]1CCN(C(=O)c2cnc3n2CCCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377094353 558264844 /nfs/dbraw/zinc/26/48/44/558264844.db2.gz UOMDXLUCIJQIQQ-MJVIPROJSA-N -1 1 372.391 2.137 20 0 FEADMM COc1ncnc(OC)c1C(=O)[N-]c1cc2c(cc1SC)OCCO2 ZINC000521957418 562187366 /nfs/dbraw/zinc/18/73/66/562187366.db2.gz HBIIAPCQNMQELV-UHFFFAOYSA-N -1 1 363.395 2.239 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCOC(F)F ZINC000377200833 558287036 /nfs/dbraw/zinc/28/70/36/558287036.db2.gz ATUBCAWBENBOQC-UHFFFAOYSA-N -1 1 366.368 2.231 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)o1 ZINC000522254853 562195146 /nfs/dbraw/zinc/19/51/46/562195146.db2.gz NKHROYVNQMTAIK-UHFFFAOYSA-N -1 1 365.407 2.050 20 0 FEADMM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377586218 558371153 /nfs/dbraw/zinc/37/11/53/558371153.db2.gz SROJEKMBUVJKTK-KGLIPLIRSA-N -1 1 357.458 2.264 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000377840553 558432798 /nfs/dbraw/zinc/43/27/98/558432798.db2.gz STQUPESOOLBERV-SECBINFHSA-N -1 1 353.366 2.308 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@H](c2cn(C)c3ccccc23)C1 ZINC000377865568 558437586 /nfs/dbraw/zinc/43/75/86/558437586.db2.gz SUIFPMQKYFFPGE-LBPRGKRZSA-N -1 1 360.439 2.235 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378070307 558473816 /nfs/dbraw/zinc/47/38/16/558473816.db2.gz DIMNMILBJJBHQN-UHFFFAOYSA-N -1 1 368.441 2.114 20 0 FEADMM Cc1cc(=O)nc(-c2cccc(NC(=O)c3cccn4c([O-])nnc34)c2)[nH]1 ZINC000378557303 558582483 /nfs/dbraw/zinc/58/24/83/558582483.db2.gz IZTHXEYQHPTXMT-UHFFFAOYSA-N -1 1 362.349 2.158 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000523818390 562220404 /nfs/dbraw/zinc/22/04/04/562220404.db2.gz CDZBHMMSOMVTRO-UHFFFAOYSA-N -1 1 369.464 2.178 20 0 FEADMM O=C(NCCCOC(F)F)c1cc(I)ccc1[O-] ZINC000398265210 558626406 /nfs/dbraw/zinc/62/64/06/558626406.db2.gz MTNDQOUJAABIOE-UHFFFAOYSA-N -1 1 371.121 2.356 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000410288698 558749699 /nfs/dbraw/zinc/74/96/99/558749699.db2.gz RVYWQQQHTAJNNI-UHFFFAOYSA-N -1 1 365.802 2.700 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000410300900 558750441 /nfs/dbraw/zinc/75/04/41/558750441.db2.gz IWAAJWWVNFGZDM-UHFFFAOYSA-N -1 1 355.423 2.762 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1C ZINC000410420313 558756249 /nfs/dbraw/zinc/75/62/49/558756249.db2.gz RRCWLCDDBQZJKF-UHFFFAOYSA-N -1 1 374.418 2.319 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000525719312 562253202 /nfs/dbraw/zinc/25/32/02/562253202.db2.gz ZQVYWHVRYIOFDM-TXEJJXNPSA-N -1 1 358.467 2.448 20 0 FEADMM NC(=O)[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H]1c1ccccc1 ZINC000411968033 558996971 /nfs/dbraw/zinc/99/69/71/558996971.db2.gz FDWWDJVBIYWLRX-QWHCGFSZSA-N -1 1 354.435 2.098 20 0 FEADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000412209606 559020106 /nfs/dbraw/zinc/02/01/06/559020106.db2.gz CGRLMDZZIMRZHQ-LLVKDONJSA-N -1 1 355.851 2.813 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)NCc1ccc2c(c1)OCO2 ZINC000526067881 562265839 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Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1Br ZINC000414467266 559166225 /nfs/dbraw/zinc/16/62/25/559166225.db2.gz DHTRRHRXVGQRRW-UHFFFAOYSA-N -1 1 374.216 2.053 20 0 FEADMM CN(CCCC(=O)[O-])C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000414607649 559174951 /nfs/dbraw/zinc/17/49/51/559174951.db2.gz HTQUNIUIUHZJHS-UHFFFAOYSA-N -1 1 369.219 2.332 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC/C=C/c2ccc(F)cc2F)C1=O ZINC000414648306 559177070 /nfs/dbraw/zinc/17/70/70/559177070.db2.gz CVTXFIQDULOFKX-OBMMGQTPSA-N -1 1 352.381 2.278 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(OCC3CC3)cc2)C1=O ZINC000414666531 559178386 /nfs/dbraw/zinc/17/83/86/559178386.db2.gz VIUMVVFOZGKXDZ-MSOLQXFVSA-N -1 1 360.454 2.275 20 0 FEADMM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C(=O)OC)ccn2)[nH]1 ZINC000415522694 559246299 /nfs/dbraw/zinc/24/62/99/559246299.db2.gz QLLYONMHCXWXRN-UHFFFAOYSA-N -1 1 374.397 2.363 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)n1 ZINC000415652815 559258243 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FEADMM O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000436730611 559950210 /nfs/dbraw/zinc/95/02/10/559950210.db2.gz XKUOAFZEPOMAJI-CYBMUJFWSA-N -1 1 361.195 2.300 20 0 FEADMM NS(=O)(=O)c1ccccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436741727 559950577 /nfs/dbraw/zinc/95/05/77/559950577.db2.gz UWHJYHVEMZVQGR-UHFFFAOYSA-N -1 1 356.403 2.123 20 0 FEADMM CC(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])N1CCOCC1 ZINC000436763551 559951170 /nfs/dbraw/zinc/95/11/70/559951170.db2.gz LBPSRFFCWSXFBQ-CQSZACIVSA-N -1 1 360.376 2.498 20 0 FEADMM COc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1NC(N)=O ZINC000436804641 559952498 /nfs/dbraw/zinc/95/24/98/559952498.db2.gz BUNDUWHYMXFFHT-UHFFFAOYSA-N -1 1 358.354 2.102 20 0 FEADMM CCOc1cc(-c2noc(-c3cn(C)nn3)n2)cc(Br)c1[O-] ZINC000436829542 559953329 /nfs/dbraw/zinc/95/33/29/559953329.db2.gz BHPTXHWBXNIEJV-UHFFFAOYSA-N -1 1 366.175 2.399 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)ccc1O ZINC000436961270 559957448 /nfs/dbraw/zinc/95/74/48/559957448.db2.gz JOMCUZBAOWMGHC-UHFFFAOYSA-N -1 1 369.370 2.436 20 0 FEADMM Cc1c(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)nnn1C ZINC000439117268 559988796 /nfs/dbraw/zinc/98/87/96/559988796.db2.gz IXMYAXIWHYJUAK-UHFFFAOYSA-N -1 1 367.232 2.590 20 0 FEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000439243481 559990726 /nfs/dbraw/zinc/99/07/26/559990726.db2.gz CMUAOHPYOBYNAK-LURJTMIESA-N -1 1 364.196 2.319 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442221681 560046376 /nfs/dbraw/zinc/04/63/76/560046376.db2.gz LVLYJTYWCHBTBY-UHFFFAOYSA-N -1 1 358.370 2.158 20 0 FEADMM COC(=O)c1cn(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)nn1 ZINC000443415095 560083559 /nfs/dbraw/zinc/08/35/59/560083559.db2.gz FBYWMGBCRKBENQ-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c(O)c1 ZINC000443529759 560086575 /nfs/dbraw/zinc/08/65/75/560086575.db2.gz MRKIVFATDMLIBK-UHFFFAOYSA-N -1 1 373.438 2.466 20 0 FEADMM NC(=O)c1cc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc23)on1 ZINC000443768226 560092272 /nfs/dbraw/zinc/09/22/72/560092272.db2.gz CISVTQCZGUQIMP-UHFFFAOYSA-N -1 1 371.827 2.120 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1c[nH]nc1-c1ccsc1 ZINC000444030207 560099537 /nfs/dbraw/zinc/09/95/37/560099537.db2.gz KESPPNZGELATFV-UHFFFAOYSA-N -1 1 368.422 2.433 20 0 FEADMM COc1ccc(-c2ncc(C(=O)NC(C)(C)c3nn[n-]n3)s2)cc1OC ZINC000444298216 560108660 /nfs/dbraw/zinc/10/86/60/560108660.db2.gz MJOGYTRPUAYWNS-UHFFFAOYSA-N -1 1 374.426 2.006 20 0 FEADMM COCCOCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444361681 560111553 /nfs/dbraw/zinc/11/15/53/560111553.db2.gz FMZGEUSBRRLRDX-UHFFFAOYSA-N -1 1 350.415 2.056 20 0 FEADMM Nc1nccnc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444375942 560112148 /nfs/dbraw/zinc/11/21/48/560112148.db2.gz RCTIUJDXPBBZGY-UHFFFAOYSA-N -1 1 355.398 2.079 20 0 FEADMM Cn1nc(Cc2nc(-c3ccc([O-])cc3F)no2)c2ccccc2c1=O ZINC000445453154 560132321 /nfs/dbraw/zinc/13/23/21/560132321.db2.gz AJUNFYCBYBRKIQ-UHFFFAOYSA-N -1 1 352.325 2.419 20 0 FEADMM COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000447258289 560158930 /nfs/dbraw/zinc/15/89/30/560158930.db2.gz DPTYIOGPUJALIF-UHFFFAOYSA-N -1 1 364.358 2.126 20 0 FEADMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1C ZINC000447276663 560159303 /nfs/dbraw/zinc/15/93/03/560159303.db2.gz CKBXWQIPUALLIX-UHFFFAOYSA-N -1 1 359.411 2.089 20 0 FEADMM CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447488633 560163128 /nfs/dbraw/zinc/16/31/28/560163128.db2.gz MMJVUHMIRXLMFV-LLVKDONJSA-N -1 1 353.419 2.245 20 0 FEADMM CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447488633 560163129 /nfs/dbraw/zinc/16/31/29/560163129.db2.gz MMJVUHMIRXLMFV-LLVKDONJSA-N -1 1 353.419 2.245 20 0 FEADMM CCOc1cccc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)n1 ZINC000447503269 560163423 /nfs/dbraw/zinc/16/34/23/560163423.db2.gz AMZWBGVVGRWACN-UHFFFAOYSA-N -1 1 364.452 2.225 20 0 FEADMM CCOc1cccc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000447503269 560163425 /nfs/dbraw/zinc/16/34/25/560163425.db2.gz AMZWBGVVGRWACN-UHFFFAOYSA-N -1 1 364.452 2.225 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cncc(C)c3)c2)n1 ZINC000447673232 560166466 /nfs/dbraw/zinc/16/64/66/560166466.db2.gz SMNWOZWIROWSBB-UHFFFAOYSA-N -1 1 365.393 2.282 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](C)C(F)(F)F)c2)n1 ZINC000447677486 560166655 /nfs/dbraw/zinc/16/66/55/560166655.db2.gz GHDOHKNUEPYNOA-VIFPVBQESA-N -1 1 370.331 2.463 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)c2)n1 ZINC000447679012 560166755 /nfs/dbraw/zinc/16/67/55/560166755.db2.gz BSYUQOLMRWQIIB-LSDHHAIUSA-N -1 1 354.410 2.311 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@]3(C)CCCOC3)c2)n1 ZINC000447686924 560167173 /nfs/dbraw/zinc/16/71/73/560167173.db2.gz SKPJLXMEKBMPTI-IBGZPJMESA-N -1 1 372.425 2.081 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@H]1CCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000447929860 560173607 /nfs/dbraw/zinc/17/36/07/560173607.db2.gz JUVSTAQAVLQUBB-GHMZBOCLSA-N -1 1 374.673 2.465 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448183556 560180008 /nfs/dbraw/zinc/18/00/08/560180008.db2.gz WYIYYRRHMJORTO-HNNXBMFYSA-N -1 1 354.472 2.092 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(C)cc1Br)c1nn[n-]n1 ZINC000450119778 560251303 /nfs/dbraw/zinc/25/13/03/560251303.db2.gz DLKTVJUVRQAPPU-GFCCVEGCSA-N -1 1 352.236 2.471 20 0 FEADMM CC(=O)c1[n-]c(=N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)sc1C ZINC000450266043 560256385 /nfs/dbraw/zinc/25/63/85/560256385.db2.gz NGTRRLWIAVKLTG-JTQLQIEISA-N -1 1 367.496 3.078 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(N2CCC2)nc1 ZINC000450594741 560267407 /nfs/dbraw/zinc/26/74/07/560267407.db2.gz DDKPGXUNVQHURH-UHFFFAOYSA-N -1 1 364.402 2.055 20 0 FEADMM CC[C@H]1C[C@@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC(=O)N1 ZINC000450692703 560270347 /nfs/dbraw/zinc/27/03/47/560270347.db2.gz COVUNSAABKAEHV-ZJUUUORDSA-N -1 1 363.805 2.074 20 0 FEADMM CC[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC(=O)N1 ZINC000450692703 560270348 /nfs/dbraw/zinc/27/03/48/560270348.db2.gz COVUNSAABKAEHV-ZJUUUORDSA-N -1 1 363.805 2.074 20 0 FEADMM O=C(C[C@@H]1CCCCC(=O)N1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450700285 560270632 /nfs/dbraw/zinc/27/06/32/560270632.db2.gz SOOAHZMHXJIVFY-JTQLQIEISA-N -1 1 363.805 2.218 20 0 FEADMM O=C(C[C@@H]1CCCCC(=O)N1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700285 560270633 /nfs/dbraw/zinc/27/06/33/560270633.db2.gz SOOAHZMHXJIVFY-JTQLQIEISA-N -1 1 363.805 2.218 20 0 FEADMM COc1ccc(-c2nc(CN3CCC(c4n[n-]c(=O)o4)CC3)no2)cc1 ZINC000450916567 560278514 /nfs/dbraw/zinc/27/85/14/560278514.db2.gz VDWZCIKXZJUOMM-UHFFFAOYSA-N -1 1 357.370 2.213 20 0 FEADMM CC(C)S(=O)(=O)c1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000450920261 560278685 /nfs/dbraw/zinc/27/86/85/560278685.db2.gz VGEOMUCTWCYSHD-UHFFFAOYSA-N -1 1 365.455 2.337 20 0 FEADMM CCOC(=O)c1ccc(CS(=O)(=O)[N-]c2n[nH]c(CC)c2C)cc1 ZINC000451005545 560282059 /nfs/dbraw/zinc/28/20/59/560282059.db2.gz PVHFRCPVCPNTPO-UHFFFAOYSA-N -1 1 351.428 2.399 20 0 FEADMM COc1c(C)cc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1C ZINC000451110481 560287653 /nfs/dbraw/zinc/28/76/53/560287653.db2.gz CRLRUYVSVRLSFL-UHFFFAOYSA-N -1 1 366.443 2.058 20 0 FEADMM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)CC2 ZINC000451215940 560293666 /nfs/dbraw/zinc/29/36/66/560293666.db2.gz KFWLGLLBZOVKCF-VIFPVBQESA-N -1 1 360.892 2.410 20 0 FEADMM NC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451319856 560300012 /nfs/dbraw/zinc/30/00/12/560300012.db2.gz OCOWQWJZJAYQAG-OLZOCXBDSA-N -1 1 354.403 2.284 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnccc1C)c1ccc(F)c(C)c1 ZINC000451412871 560305362 /nfs/dbraw/zinc/30/53/62/560305362.db2.gz OPTKKYPKYDXGIN-OAHLLOKOSA-N -1 1 352.387 2.030 20 0 FEADMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2sccc2Cl)C1(C)C ZINC000451452366 560307911 /nfs/dbraw/zinc/30/79/11/560307911.db2.gz MDSDNQUUCCHGTM-MFKMUULPSA-N -1 1 353.893 2.246 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H](O)C(F)F ZINC000451709755 560323809 /nfs/dbraw/zinc/32/38/09/560323809.db2.gz KRRUWHQJUSWSIY-CMPLNLGQSA-N -1 1 362.423 2.493 20 0 FEADMM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000451787238 560328467 /nfs/dbraw/zinc/32/84/67/560328467.db2.gz IPHDVNLSTZBFNM-PSASIEDQSA-N -1 1 372.245 2.462 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)o1 ZINC000451802517 560329488 /nfs/dbraw/zinc/32/94/88/560329488.db2.gz OGVULANMYMVPBT-LBPRGKRZSA-N -1 1 357.428 2.084 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)o1 ZINC000451813596 560330167 /nfs/dbraw/zinc/33/01/67/560330167.db2.gz FDJXRTGIOXDJHR-GXTWGEPZSA-N -1 1 359.444 2.186 20 0 FEADMM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C ZINC000451838344 560331671 /nfs/dbraw/zinc/33/16/71/560331671.db2.gz BTRQYSJUIJFJDE-ZYHUDNBSSA-N -1 1 371.425 2.006 20 0 FEADMM CC[C@@H](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)OC ZINC000452413070 560363957 /nfs/dbraw/zinc/36/39/57/560363957.db2.gz XDSJOTDCWULTPT-DGCLKSJQSA-N -1 1 360.476 2.147 20 0 FEADMM CCOc1cc(C(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc(Cl)c1[O-] ZINC000453005240 560380884 /nfs/dbraw/zinc/38/08/84/560380884.db2.gz PKRYZQFMWLDJEQ-LNSITVRQSA-N -1 1 369.845 2.446 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)[C@H](OC)C2CC2)ccc1[N-]S(C)(=O)=O ZINC000454772974 560457650 /nfs/dbraw/zinc/45/76/50/560457650.db2.gz LZZKMCNSOJTBBY-BMIGLBTASA-N -1 1 371.459 2.002 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)C[C@H]1c1ccccc1 ZINC000456968270 560541071 /nfs/dbraw/zinc/54/10/71/560541071.db2.gz XCCAKTQGDQOANA-LSDHHAIUSA-N -1 1 371.462 2.746 20 0 FEADMM C[C@H]1C[C@@H](O)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000456988628 560542562 /nfs/dbraw/zinc/54/25/62/560542562.db2.gz DLSODYRORCJQOJ-WMLDXEAASA-N -1 1 374.462 2.330 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCC[C@@H](C)F)c2)n1 ZINC000458895433 560654534 /nfs/dbraw/zinc/65/45/34/560654534.db2.gz UDSGKTOPRSWGGQ-LLVKDONJSA-N -1 1 363.393 2.196 20 0 FEADMM COc1ccc(NC(=O)NC2CCC(OC)CC2)cc1[N-]S(C)(=O)=O ZINC000459239746 560675668 /nfs/dbraw/zinc/67/56/68/560675668.db2.gz JJCXOIBNXPYBJN-UHFFFAOYSA-N -1 1 371.459 2.146 20 0 FEADMM COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459344878 560681160 /nfs/dbraw/zinc/68/11/60/560681160.db2.gz NGYSKNRJSJLPPU-UHFFFAOYSA-N -1 1 357.410 2.437 20 0 FEADMM CC(C)COc1ccc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000461119312 560761947 /nfs/dbraw/zinc/76/19/47/560761947.db2.gz WBZODOIQHUKIAT-UHFFFAOYSA-N -1 1 360.439 2.177 20 0 FEADMM CCOCc1nc([C@H](C)NC(=O)c2cnc3nc(C)ccc3c2[O-])no1 ZINC000461233721 560764787 /nfs/dbraw/zinc/76/47/87/560764787.db2.gz AKZGPRVTNNUTAT-JTQLQIEISA-N -1 1 357.370 2.054 20 0 FEADMM CCOCc1nc([C@H](C)NC(=O)c2c[n-]c3nc(C)ccc3c2=O)no1 ZINC000461233721 560764788 /nfs/dbraw/zinc/76/47/88/560764788.db2.gz AKZGPRVTNNUTAT-JTQLQIEISA-N -1 1 357.370 2.054 20 0 FEADMM CC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1nn[n-]n1 ZINC000461638481 560778377 /nfs/dbraw/zinc/77/83/77/560778377.db2.gz ZKBBOXQLWVRIKH-GHMZBOCLSA-N -1 1 350.220 2.117 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000461467049 560773124 /nfs/dbraw/zinc/77/31/24/560773124.db2.gz XETNSEBCTVGPEN-KBPBESRZSA-N -1 1 352.456 2.455 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)[C@H](C)COC)c1 ZINC000461798022 560784594 /nfs/dbraw/zinc/78/45/94/560784594.db2.gz SBRJWECMHOQZDT-CHWSQXEVSA-N -1 1 372.487 2.280 20 0 FEADMM COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462107213 560797508 /nfs/dbraw/zinc/79/75/08/560797508.db2.gz YMRLISFRZTUWOC-SNVBAGLBSA-N -1 1 372.434 2.156 20 0 FEADMM C/C=C/C[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(=O)OCC ZINC000463402026 560812935 /nfs/dbraw/zinc/81/29/35/560812935.db2.gz WCHURWJENXZBPE-VUDGCMKMSA-N -1 1 367.471 2.159 20 0 FEADMM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cncc(F)c2)nc1C ZINC000465506536 560866922 /nfs/dbraw/zinc/86/69/22/560866922.db2.gz RYNUZHFPTHPTGC-VIFPVBQESA-N -1 1 373.431 2.202 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000466281853 560883442 /nfs/dbraw/zinc/88/34/42/560883442.db2.gz XFCMNEQSLVTSNK-UHFFFAOYSA-N -1 1 372.406 2.134 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)N=c1cc(C)c(C)n[n-]1)N1CCCC1 ZINC000467483725 560910922 /nfs/dbraw/zinc/91/09/22/560910922.db2.gz DPMMQRKHAMBCQI-KRWDZBQOSA-N -1 1 369.469 3.061 20 0 FEADMM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000468142773 560923588 /nfs/dbraw/zinc/92/35/88/560923588.db2.gz ZJRFOFOMXWANRC-GFCCVEGCSA-N -1 1 351.472 2.911 20 0 FEADMM C[C@@H](O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000468578460 560933322 /nfs/dbraw/zinc/93/33/22/560933322.db2.gz YKOZFLPKMWXBGQ-SNVBAGLBSA-N -1 1 354.815 2.460 20 0 FEADMM CCc1ccc(O)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000470465894 560983020 /nfs/dbraw/zinc/98/30/20/560983020.db2.gz WEHSHOBGWIJJNR-UHFFFAOYSA-N -1 1 351.380 2.219 20 0 FEADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CNC(=O)c3ncccc3[O-])C2)cc1 ZINC000470562893 560984617 /nfs/dbraw/zinc/98/46/17/560984617.db2.gz DUIONHMZHHHKHS-ZBFHGGJFSA-N -1 1 353.422 2.230 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000473278294 561046291 /nfs/dbraw/zinc/04/62/91/561046291.db2.gz HPVBDRBCTYLVOV-VIFPVBQESA-N -1 1 351.359 2.002 20 0 FEADMM O=C(CCCOc1ccc(Cl)cc1Cl)NC1(c2nn[n-]n2)CC1 ZINC000473379834 561048968 /nfs/dbraw/zinc/04/89/68/561048968.db2.gz NZEFKHPMRLOTTB-UHFFFAOYSA-N -1 1 356.213 2.471 20 0 FEADMM COc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000473471279 561050721 /nfs/dbraw/zinc/05/07/21/561050721.db2.gz NQYPHQGGBBDBKI-UHFFFAOYSA-N -1 1 353.400 2.051 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000474550413 561076435 /nfs/dbraw/zinc/07/64/35/561076435.db2.gz JPRMWDIPVXXROM-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000474637887 561079252 /nfs/dbraw/zinc/07/92/52/561079252.db2.gz YHVIQXSBEWVNPS-UHFFFAOYSA-N -1 1 369.450 2.371 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(CO)CCCC1 ZINC000474646337 561079424 /nfs/dbraw/zinc/07/94/24/561079424.db2.gz JELYETJPGBDJFX-UHFFFAOYSA-N -1 1 370.453 2.154 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](CO)Cc1ccccc1 ZINC000474812044 561083324 /nfs/dbraw/zinc/08/33/24/561083324.db2.gz XISGOCJSAMHIAV-OAHLLOKOSA-N -1 1 357.454 2.369 20 0 FEADMM C[C@H](Sc1ccc(Br)cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000474998711 561087399 /nfs/dbraw/zinc/08/73/99/561087399.db2.gz DLCZQYSDTUBCPY-QMMMGPOBSA-N -1 1 370.276 2.494 20 0 FEADMM CC(C)(NC(=O)c1cc2cc(Br)ccc2o1)c1nn[n-]n1 ZINC000475007818 561087618 /nfs/dbraw/zinc/08/76/18/561087618.db2.gz DPBICDBISUYHOZ-UHFFFAOYSA-N -1 1 350.176 2.374 20 0 FEADMM CC(C)(NC(=O)CSCc1ccc(Br)cc1)c1nn[n-]n1 ZINC000475011655 561087679 /nfs/dbraw/zinc/08/76/79/561087679.db2.gz ZJSRBKKWRGVBDM-UHFFFAOYSA-N -1 1 370.276 2.247 20 0 FEADMM COc1ccc(NC(=O)c2c3ccccc3nn2C)cc1[N-]S(C)(=O)=O ZINC000475291233 561094317 /nfs/dbraw/zinc/09/43/17/561094317.db2.gz NKLFEZVWQMCFFT-UHFFFAOYSA-N -1 1 374.422 2.206 20 0 FEADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cn[nH]c1 ZINC000475724207 561103597 /nfs/dbraw/zinc/10/35/97/561103597.db2.gz RYJJPTAXOJXJHL-UHFFFAOYSA-N -1 1 374.397 2.280 20 0 FEADMM CCC[C@@H](CCO)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476777353 561128305 /nfs/dbraw/zinc/12/83/05/561128305.db2.gz JRPUPOAXQVKRLR-AWEZNQCLSA-N -1 1 358.442 2.010 20 0 FEADMM C[C@@H](c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)[nH]n1)c1ccccc1 ZINC000528883966 562351561 /nfs/dbraw/zinc/35/15/61/562351561.db2.gz XHQARRGTABCPHJ-OCCSQVGLSA-N -1 1 351.414 2.094 20 0 FEADMM COc1ccc(NC(=O)NCc2cccnc2C)cc1[N-]S(C)(=O)=O ZINC000528997206 562355900 /nfs/dbraw/zinc/35/59/00/562355900.db2.gz WUZMOWKAMOZIQU-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H](O)COc1ccccc1Cl ZINC000530167390 562400931 /nfs/dbraw/zinc/40/09/31/562400931.db2.gz APENQECZAWEHDH-BDJLRTHQSA-N -1 1 351.786 2.357 20 0 FEADMM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000530170608 562401388 /nfs/dbraw/zinc/40/13/88/562401388.db2.gz UDZFOLOUADUENB-LRDDRELGSA-N -1 1 351.786 2.357 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2NC2CCCCC2)n1 ZINC000530474159 562412671 /nfs/dbraw/zinc/41/26/71/562412671.db2.gz HXBRAIHQTRTLHB-UHFFFAOYSA-N -1 1 363.443 2.205 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2NC2CCCCC2)[n-]1 ZINC000530474159 562412672 /nfs/dbraw/zinc/41/26/72/562412672.db2.gz HXBRAIHQTRTLHB-UHFFFAOYSA-N -1 1 363.443 2.205 20 0 FEADMM COc1ccc(NC(=O)NCc2scnc2C)cc1[N-]S(C)(=O)=O ZINC000530863780 562426712 /nfs/dbraw/zinc/42/67/12/562426712.db2.gz CMOHOKFARGMHCR-UHFFFAOYSA-N -1 1 370.456 2.153 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1C(N)=O ZINC000531522376 562448500 /nfs/dbraw/zinc/44/85/00/562448500.db2.gz SMHBWTMIUMYBGQ-UHFFFAOYSA-N -1 1 373.434 2.124 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000531756018 562455639 /nfs/dbraw/zinc/45/56/39/562455639.db2.gz HXUGHEOZCGKWBD-UHFFFAOYSA-N -1 1 364.398 2.472 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](OCc4ccccn4)C3)cnc2n1 ZINC000531879715 562459693 /nfs/dbraw/zinc/45/96/93/562459693.db2.gz UKSLPVSCIRCVGF-OAHLLOKOSA-N -1 1 364.405 2.470 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](OCc3ccccn3)C1)c2=O ZINC000531879715 562459694 /nfs/dbraw/zinc/45/96/94/562459694.db2.gz UKSLPVSCIRCVGF-OAHLLOKOSA-N -1 1 364.405 2.470 20 0 FEADMM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000531970052 562462952 /nfs/dbraw/zinc/46/29/52/562462952.db2.gz DUFBRYSNZMRFIY-UHFFFAOYSA-N -1 1 356.455 2.181 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000532012279 562464004 /nfs/dbraw/zinc/46/40/04/562464004.db2.gz CTGWOIDKXFIBFE-NSHDSACASA-N -1 1 372.352 2.294 20 0 FEADMM COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000532711915 562486232 /nfs/dbraw/zinc/48/62/32/562486232.db2.gz QNEYEEFGHUJBBR-CHWSQXEVSA-N -1 1 350.415 2.218 20 0 FEADMM CC[C@@H](C[C@H](C)CO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000533975380 562522743 /nfs/dbraw/zinc/52/27/43/562522743.db2.gz SNTYMKZIVNBCMJ-BBRMVZONSA-N -1 1 372.469 2.399 20 0 FEADMM CN(Cc1cn(C)nn1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000534136298 562526436 /nfs/dbraw/zinc/52/64/36/562526436.db2.gz CRPUPALHVCYMEQ-UHFFFAOYSA-N -1 1 371.466 2.248 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cc(F)cc(Cl)c1 ZINC000534207577 562527575 /nfs/dbraw/zinc/52/75/75/562527575.db2.gz SPOWVITXEFAFQV-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)co1 ZINC000534418440 562533762 /nfs/dbraw/zinc/53/37/62/562533762.db2.gz MSUFJGZDBOWQJN-OAHLLOKOSA-N -1 1 362.451 2.283 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535136194 562551676 /nfs/dbraw/zinc/55/16/76/562551676.db2.gz BLGNHYQQZPELEX-UHFFFAOYSA-N -1 1 358.778 2.211 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000535856722 562569651 /nfs/dbraw/zinc/56/96/51/562569651.db2.gz SIEQGWNDEJSPKH-UHFFFAOYSA-N -1 1 353.378 2.495 20 0 FEADMM CCOC(=O)c1cn(CCNC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000536098199 562572623 /nfs/dbraw/zinc/57/26/23/562572623.db2.gz GPUJPADWBLLSJE-UHFFFAOYSA-N -1 1 353.378 2.349 20 0 FEADMM CC(C)(C)Oc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540803708 562593442 /nfs/dbraw/zinc/59/34/42/562593442.db2.gz HZQUJLUOAHGCDG-UHFFFAOYSA-N -1 1 364.423 2.469 20 0 FEADMM Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(=O)[nH]1 ZINC000541310236 562608578 /nfs/dbraw/zinc/60/85/78/562608578.db2.gz ALPCUYKLICJGGL-UHFFFAOYSA-N -1 1 354.240 2.337 20 0 FEADMM COc1cc(NC(=O)CCc2ccc(O)cc2)ccc1[N-]S(C)(=O)=O ZINC000545454500 562627548 /nfs/dbraw/zinc/62/75/48/562627548.db2.gz YSCRQXFUZXSANF-UHFFFAOYSA-N -1 1 364.423 2.344 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccs1 ZINC000556378089 674399887 /nfs/dbraw/zinc/39/98/87/674399887.db2.gz UJWYTDDOCXDDMF-UHFFFAOYSA-N -1 1 362.835 2.249 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2SCCc3sccc32)n[n-]1 ZINC000603154967 568068534 /nfs/dbraw/zinc/06/85/34/568068534.db2.gz NOKVOFXIXMNSGP-KWQFWETISA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2SCCc3sccc32)[n-]1 ZINC000603154967 568068535 /nfs/dbraw/zinc/06/85/35/568068535.db2.gz NOKVOFXIXMNSGP-KWQFWETISA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2SCCc3sccc32)n1 ZINC000603154967 568068536 /nfs/dbraw/zinc/06/85/36/568068536.db2.gz NOKVOFXIXMNSGP-KWQFWETISA-N -1 1 366.468 2.251 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCSCc2ccccc2)n[n-]1 ZINC000603155578 568068610 /nfs/dbraw/zinc/06/86/10/568068610.db2.gz OCNBBQRHTCXSGI-GFCCVEGCSA-N -1 1 362.455 2.482 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCSCc2ccccc2)[n-]1 ZINC000603155578 568068611 /nfs/dbraw/zinc/06/86/11/568068611.db2.gz OCNBBQRHTCXSGI-GFCCVEGCSA-N -1 1 362.455 2.482 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCSCc2ccccc2)n1 ZINC000603155578 568068612 /nfs/dbraw/zinc/06/86/12/568068612.db2.gz OCNBBQRHTCXSGI-GFCCVEGCSA-N -1 1 362.455 2.482 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCCc2c(F)cccc2F)n[n-]1 ZINC000603156594 568068720 /nfs/dbraw/zinc/06/87/20/568068720.db2.gz STDDTPYBTREIRU-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCCc2c(F)cccc2F)[n-]1 ZINC000603156594 568068721 /nfs/dbraw/zinc/06/87/21/568068721.db2.gz STDDTPYBTREIRU-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCCc2c(F)cccc2F)n1 ZINC000603156594 568068722 /nfs/dbraw/zinc/06/87/22/568068722.db2.gz STDDTPYBTREIRU-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n[n-]1 ZINC000603156714 568068807 /nfs/dbraw/zinc/06/88/07/568068807.db2.gz SYKRJXVXROTIMB-PTOFAABTSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)[n-]1 ZINC000603156714 568068808 /nfs/dbraw/zinc/06/88/08/568068808.db2.gz SYKRJXVXROTIMB-PTOFAABTSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000603156714 568068809 /nfs/dbraw/zinc/06/88/09/568068809.db2.gz SYKRJXVXROTIMB-PTOFAABTSA-N -1 1 364.352 2.241 20 0 FEADMM CN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647739282 568228920 /nfs/dbraw/zinc/22/89/20/568228920.db2.gz MBPXRWLEFWMGCN-YFCNSXCBSA-N -1 1 354.809 2.309 20 0 FEADMM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000604603927 568324123 /nfs/dbraw/zinc/32/41/23/568324123.db2.gz HWMJPTYNLQYGJN-UHFFFAOYSA-N -1 1 374.393 2.262 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2ccc(OC3CCCCC3)cc2)n[n-]1 ZINC000605180240 568605161 /nfs/dbraw/zinc/60/51/61/568605161.db2.gz VDWJGGGZAGBJCT-UHFFFAOYSA-N -1 1 364.427 2.172 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(OC3CCCCC3)cc2)n1 ZINC000605180240 568605163 /nfs/dbraw/zinc/60/51/63/568605163.db2.gz VDWJGGGZAGBJCT-UHFFFAOYSA-N -1 1 364.427 2.172 20 0 FEADMM COC(=O)[C@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000736901564 598892002 /nfs/dbraw/zinc/89/20/02/598892002.db2.gz LVXBABOCHSXQJN-CYBMUJFWSA-N -1 1 356.411 2.280 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc2nccn2c1 ZINC000737546672 598910678 /nfs/dbraw/zinc/91/06/78/598910678.db2.gz DXGYMTUHQVLZDX-UHFFFAOYSA-N -1 1 374.364 2.459 20 0 FEADMM c1ccc([C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)cc1 ZINC000738428965 598935793 /nfs/dbraw/zinc/93/57/93/598935793.db2.gz QKWKHWGEHLDOOO-MRXNPFEDSA-N -1 1 359.393 2.388 20 0 FEADMM c1ccc([C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)cc1 ZINC000738428965 598935794 /nfs/dbraw/zinc/93/57/94/598935794.db2.gz QKWKHWGEHLDOOO-MRXNPFEDSA-N -1 1 359.393 2.388 20 0 FEADMM COc1cc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)ccc1O ZINC000737045933 598969403 /nfs/dbraw/zinc/96/94/03/598969403.db2.gz UUGNLVKQTFOXCA-UHFFFAOYSA-N -1 1 363.381 2.179 20 0 FEADMM COc1cc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)ccc1O ZINC000737045933 598969405 /nfs/dbraw/zinc/96/94/05/598969405.db2.gz UUGNLVKQTFOXCA-UHFFFAOYSA-N -1 1 363.381 2.179 20 0 FEADMM CCOC(=O)c1c(C)csc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736603833 598978604 /nfs/dbraw/zinc/97/86/04/598978604.db2.gz RUJQEJLVMBRYRZ-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM CCOC(=O)c1c(C)csc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736603833 598978606 /nfs/dbraw/zinc/97/86/06/598978606.db2.gz RUJQEJLVMBRYRZ-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ccc(F)cc2)n1 ZINC000737273537 598986546 /nfs/dbraw/zinc/98/65/46/598986546.db2.gz DDIHAQFPQISAMK-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2ccc(F)cc2)n1 ZINC000737273537 598986548 /nfs/dbraw/zinc/98/65/48/598986548.db2.gz DDIHAQFPQISAMK-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ccccc2C)n1 ZINC000737274574 598986552 /nfs/dbraw/zinc/98/65/52/598986552.db2.gz OKAOVZHCTKZCQO-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2ccccc2C)n1 ZINC000737274574 598986554 /nfs/dbraw/zinc/98/65/54/598986554.db2.gz OKAOVZHCTKZCQO-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735622553 598993544 /nfs/dbraw/zinc/99/35/44/598993544.db2.gz BLCATRIDQXIAFB-UHFFFAOYSA-N -1 1 365.397 2.042 20 0 FEADMM CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735622553 598993546 /nfs/dbraw/zinc/99/35/46/598993546.db2.gz BLCATRIDQXIAFB-UHFFFAOYSA-N -1 1 365.397 2.042 20 0 FEADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051007 598997996 /nfs/dbraw/zinc/99/79/96/598997996.db2.gz WWKXWNHACUGKSA-RHSMWYFYSA-N -1 1 364.409 2.159 20 0 FEADMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051007 598997999 /nfs/dbraw/zinc/99/79/99/598997999.db2.gz WWKXWNHACUGKSA-RHSMWYFYSA-N -1 1 364.409 2.159 20 0 FEADMM O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738003288 599003869 /nfs/dbraw/zinc/00/38/69/599003869.db2.gz VLCQIMGBQGANKY-CQSZACIVSA-N -1 1 363.406 2.238 20 0 FEADMM O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738003288 599003871 /nfs/dbraw/zinc/00/38/71/599003871.db2.gz VLCQIMGBQGANKY-CQSZACIVSA-N -1 1 363.406 2.238 20 0 FEADMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738041292 599027411 /nfs/dbraw/zinc/02/74/11/599027411.db2.gz YMERLYAXFWSJOJ-UHFFFAOYSA-N -1 1 352.373 2.253 20 0 FEADMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738041292 599027414 /nfs/dbraw/zinc/02/74/14/599027414.db2.gz YMERLYAXFWSJOJ-UHFFFAOYSA-N -1 1 352.373 2.253 20 0 FEADMM O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192146 599027894 /nfs/dbraw/zinc/02/78/94/599027894.db2.gz XHUHLSNSHUIDAS-UHFFFAOYSA-N -1 1 363.303 2.488 20 0 FEADMM O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192146 599027896 /nfs/dbraw/zinc/02/78/96/599027896.db2.gz XHUHLSNSHUIDAS-UHFFFAOYSA-N -1 1 363.303 2.488 20 0 FEADMM COc1ccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CCCC2)cc1 ZINC000737076757 599028195 /nfs/dbraw/zinc/02/81/95/599028195.db2.gz OVQYEZADERMRBQ-UHFFFAOYSA-N -1 1 364.409 2.470 20 0 FEADMM COc1ccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CCCC2)cc1 ZINC000737076757 599028197 /nfs/dbraw/zinc/02/81/97/599028197.db2.gz OVQYEZADERMRBQ-UHFFFAOYSA-N -1 1 364.409 2.470 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000737301662 599041691 /nfs/dbraw/zinc/04/16/91/599041691.db2.gz QEDMEXKYRCPQHQ-UHFFFAOYSA-N -1 1 369.328 2.393 20 0 FEADMM C[C@@H](CCC1CCCCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735985972 599082511 /nfs/dbraw/zinc/08/25/11/599082511.db2.gz OLROZIXNVNHVLW-LBPRGKRZSA-N -1 1 364.475 2.289 20 0 FEADMM C[C@@H](CCC1CCCCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735985972 599082514 /nfs/dbraw/zinc/08/25/14/599082514.db2.gz OLROZIXNVNHVLW-LBPRGKRZSA-N -1 1 364.475 2.289 20 0 FEADMM CCCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736497476 599140667 /nfs/dbraw/zinc/14/06/67/599140667.db2.gz PTOCUVMMBYSBCN-UHFFFAOYSA-N -1 1 351.366 2.254 20 0 FEADMM CCCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736497476 599140669 /nfs/dbraw/zinc/14/06/69/599140669.db2.gz PTOCUVMMBYSBCN-UHFFFAOYSA-N -1 1 351.366 2.254 20 0 FEADMM COc1ccc([C@H](CNC(=O)N(C)CCC(=O)[O-])N2CCCCC2)cc1 ZINC000818583085 596988506 /nfs/dbraw/zinc/98/85/06/596988506.db2.gz XRHGVZISKGPULE-KRWDZBQOSA-N -1 1 363.458 2.338 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000581228053 597077883 /nfs/dbraw/zinc/07/78/83/597077883.db2.gz ZQJBGMVCOYMVQF-CHWSQXEVSA-N -1 1 350.415 2.218 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)CC(C)(C)C ZINC000737548961 599240991 /nfs/dbraw/zinc/24/09/91/599240991.db2.gz RYCUSSMXOJVTFG-GFCCVEGCSA-N -1 1 372.429 2.086 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)CC(C)(C)C ZINC000737548961 599240994 /nfs/dbraw/zinc/24/09/94/599240994.db2.gz RYCUSSMXOJVTFG-GFCCVEGCSA-N -1 1 372.429 2.086 20 0 FEADMM CNC(=O)CCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821632944 607317182 /nfs/dbraw/zinc/31/71/82/607317182.db2.gz QBVIGJJAILUOFO-UHFFFAOYSA-N -1 1 358.427 2.055 20 0 FEADMM C[C@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807707484 674424937 /nfs/dbraw/zinc/42/49/37/674424937.db2.gz SDGNHTMALWEKGU-NWBUJAPZSA-N -1 1 350.381 2.106 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000822203559 607328047 /nfs/dbraw/zinc/32/80/47/607328047.db2.gz ZUDAOTWCKJXGRR-UHFFFAOYSA-N -1 1 369.328 2.393 20 0 FEADMM C/C=C\c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000736301777 598259494 /nfs/dbraw/zinc/25/94/94/598259494.db2.gz AXXDPURERXMLOP-ARJAWSKDSA-N -1 1 373.394 2.071 20 0 FEADMM C/C=C\c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000736301777 598259496 /nfs/dbraw/zinc/25/94/96/598259496.db2.gz AXXDPURERXMLOP-ARJAWSKDSA-N -1 1 373.394 2.071 20 0 FEADMM FC(F)(F)c1cccc(OCCNc2nccnc2-c2nnn[n-]2)c1 ZINC000737635670 598345926 /nfs/dbraw/zinc/34/59/26/598345926.db2.gz MAGBFUNIAAMCGN-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM FC(F)(F)c1cccc(OCCNc2nccnc2-c2nn[n-]n2)c1 ZINC000737635670 598345927 /nfs/dbraw/zinc/34/59/27/598345927.db2.gz MAGBFUNIAAMCGN-UHFFFAOYSA-N -1 1 351.292 2.166 20 0 FEADMM Cc1oc(-c2ccsc2)nc1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000737521151 598363639 /nfs/dbraw/zinc/36/36/39/598363639.db2.gz HUGYZFADTOECJE-UHFFFAOYSA-N -1 1 369.410 2.113 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000738341675 598377732 /nfs/dbraw/zinc/37/77/32/598377732.db2.gz JJLDENDJQGXZFB-UHFFFAOYSA-N -1 1 366.406 2.458 20 0 FEADMM O=C(c1cncc([O-])c1)N(CCO)Cc1cc(Br)cs1 ZINC000557027510 674433220 /nfs/dbraw/zinc/43/32/20/674433220.db2.gz QFEQTGJBHZBVET-UHFFFAOYSA-N -1 1 357.229 2.246 20 0 FEADMM C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736301705 598405556 /nfs/dbraw/zinc/40/55/56/598405556.db2.gz DEXQPNXADWQOAB-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@H]2CCCCN12 ZINC000557088941 674435937 /nfs/dbraw/zinc/43/59/37/674435937.db2.gz FFGTWIMNRAZRCK-CHWSQXEVSA-N -1 1 352.387 2.004 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc(C(C)C)no1 ZINC000737199539 598622634 /nfs/dbraw/zinc/62/26/34/598622634.db2.gz HZUZUNQDAGBNDL-UHFFFAOYSA-N -1 1 371.401 2.267 20 0 FEADMM Clc1nsc(N2CC[C@@H](CNc3ccccn3)C2)c1-c1nn[n-]n1 ZINC000737582441 598671746 /nfs/dbraw/zinc/67/17/46/598671746.db2.gz ANJDUBMBJALJEH-VIFPVBQESA-N -1 1 362.850 2.310 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1CCOc1c(Cl)cccc1Cl ZINC000738370205 598677967 /nfs/dbraw/zinc/67/79/67/598677967.db2.gz ACECUVVYGRUPAD-UHFFFAOYSA-N -1 1 352.181 2.414 20 0 FEADMM Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737377878 598692169 /nfs/dbraw/zinc/69/21/69/598692169.db2.gz RGUVMXAGUYTXGJ-MRXNPFEDSA-N -1 1 373.413 2.280 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000738372063 598719894 /nfs/dbraw/zinc/71/98/94/598719894.db2.gz MZWOIEIZFXJRRY-UHFFFAOYSA-N -1 1 371.360 2.280 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nnc(C)n1C1CC1 ZINC000557207040 674442255 /nfs/dbraw/zinc/44/22/55/674442255.db2.gz WISKMRKELJTTGY-UHFFFAOYSA-N -1 1 363.443 2.325 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1 ZINC000808124658 674442840 /nfs/dbraw/zinc/44/28/40/674442840.db2.gz XYPPRKHAEJHKKW-UHFFFAOYSA-N -1 1 361.375 2.253 20 0 FEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1C(F)(F)F ZINC000819765801 599318328 /nfs/dbraw/zinc/31/83/28/599318328.db2.gz RPUGJKACCMHNQA-VURMDHGXSA-N -1 1 363.303 2.408 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC2(CCCC2)C1 ZINC000823606230 599376071 /nfs/dbraw/zinc/37/60/71/599376071.db2.gz HAVBLUSPXWHWBL-UHFFFAOYSA-N -1 1 367.862 2.475 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC2(CCCC2)C1 ZINC000823606230 599376073 /nfs/dbraw/zinc/37/60/73/599376073.db2.gz HAVBLUSPXWHWBL-UHFFFAOYSA-N -1 1 367.862 2.475 20 0 FEADMM FC(F)(F)COc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccn1 ZINC000737627274 599411125 /nfs/dbraw/zinc/41/11/25/599411125.db2.gz OELRKNZPPMUQAP-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC000737627274 599411126 /nfs/dbraw/zinc/41/11/26/599411126.db2.gz OELRKNZPPMUQAP-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808572968 674463570 /nfs/dbraw/zinc/46/35/70/674463570.db2.gz RFTFADBUBITRBG-UHFFFAOYSA-N -1 1 374.251 2.422 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821970639 599472287 /nfs/dbraw/zinc/47/22/87/599472287.db2.gz PQSDGKXRUFKYPL-JOYOIKCWSA-N -1 1 360.443 2.094 20 0 FEADMM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736059130 599603800 /nfs/dbraw/zinc/60/38/00/599603800.db2.gz QQKWDSIISNVJQV-QMMMGPOBSA-N -1 1 365.319 2.183 20 0 FEADMM O=C(COC(=O)c1ccnc(C(F)(F)F)c1)[N-]C(=O)c1ccccc1 ZINC000808665522 674467573 /nfs/dbraw/zinc/46/75/73/674467573.db2.gz PRLLTOJUHIRPGY-UHFFFAOYSA-N -1 1 352.268 2.214 20 0 FEADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820656833 607386913 /nfs/dbraw/zinc/38/69/13/607386913.db2.gz HQUIIXWGKKPMLF-NWDGAFQWSA-N -1 1 359.434 2.144 20 0 FEADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820656833 607386915 /nfs/dbraw/zinc/38/69/15/607386915.db2.gz HQUIIXWGKKPMLF-NWDGAFQWSA-N -1 1 359.434 2.144 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1F ZINC000821649635 599659529 /nfs/dbraw/zinc/65/95/29/599659529.db2.gz AAIIKNCKCXFWQM-NSHDSACASA-N -1 1 362.342 2.138 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]CC2CCN(CC(F)(F)F)CC2)sn1 ZINC000632256122 676984039 /nfs/dbraw/zinc/98/40/39/676984039.db2.gz FXRJAYFNMDUYJG-UHFFFAOYSA-N -1 1 357.423 2.004 20 0 FEADMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736790416 599726924 /nfs/dbraw/zinc/72/69/24/599726924.db2.gz WQLDCKREJGQJFB-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000738274844 599933343 /nfs/dbraw/zinc/93/33/43/599933343.db2.gz JCZJPQNKWFWCMD-OLZOCXBDSA-N -1 1 354.472 2.234 20 0 FEADMM Cc1cc(COC(=O)CCNC(=O)c2n[nH]c3ccccc32)oc1C(=O)[O-] ZINC000738392275 599965891 /nfs/dbraw/zinc/96/58/91/599965891.db2.gz JNIGGMXENKUJIS-UHFFFAOYSA-N -1 1 371.349 2.026 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738872143 599992427 /nfs/dbraw/zinc/99/24/27/599992427.db2.gz BOZCFHQZIJDFGY-JTQLQIEISA-N -1 1 359.338 2.190 20 0 FEADMM O=C([O-])C1CCC(NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000563389923 600027428 /nfs/dbraw/zinc/02/74/28/600027428.db2.gz PMJDILMFSGESGC-UHFFFAOYSA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])C1CCC(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000563389923 600027432 /nfs/dbraw/zinc/02/74/32/600027432.db2.gz PMJDILMFSGESGC-UHFFFAOYSA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000739624741 600032218 /nfs/dbraw/zinc/03/22/18/600032218.db2.gz KTVCXRCWODAPBU-INIZCTEOSA-N -1 1 369.808 2.359 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000739624741 600032222 /nfs/dbraw/zinc/03/22/22/600032222.db2.gz KTVCXRCWODAPBU-INIZCTEOSA-N -1 1 369.808 2.359 20 0 FEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000736718245 600100443 /nfs/dbraw/zinc/10/04/43/600100443.db2.gz RZZKNFARXNVXSC-LLVKDONJSA-N -1 1 366.414 2.364 20 0 FEADMM COc1ccnc(N2CCN(c3nc(Cl)c(C(=O)[O-])s3)CC2)c1 ZINC000738142618 600162292 /nfs/dbraw/zinc/16/22/92/600162292.db2.gz CPZCNXYGXBCAPE-UHFFFAOYSA-N -1 1 354.819 2.225 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCc2ccccc2CC1 ZINC000739624080 600232983 /nfs/dbraw/zinc/23/29/83/600232983.db2.gz HKBQXHXRRXPWBZ-FQEVSTJZSA-N -1 1 364.445 2.125 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCCO)cc2)c1 ZINC000740136174 600237331 /nfs/dbraw/zinc/23/73/31/600237331.db2.gz QWMDIKGPWGWZOR-UHFFFAOYSA-N -1 1 371.798 2.210 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCCCSc1ccccc1)CC2 ZINC000739279106 600289496 /nfs/dbraw/zinc/28/94/96/600289496.db2.gz SJEFZFKTWKOKEC-MRXNPFEDSA-N -1 1 362.495 2.472 20 0 FEADMM COc1ccc(CN(C)C(=O)CNC2(C(=O)[O-])CCCCC2)cc1F ZINC000737995345 600320505 /nfs/dbraw/zinc/32/05/05/600320505.db2.gz QDTVHCBXLDSLQH-UHFFFAOYSA-N -1 1 352.406 2.170 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccs1 ZINC000737358754 600340206 /nfs/dbraw/zinc/34/02/06/600340206.db2.gz PGSKGQIYRYVFSQ-OLZOCXBDSA-N -1 1 351.472 2.247 20 0 FEADMM CCCS(=O)(=O)NC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000568521023 600398752 /nfs/dbraw/zinc/39/87/52/600398752.db2.gz DMAXXZOCFXSJCY-HNNXBMFYSA-N -1 1 374.890 2.260 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000390432049 600517967 /nfs/dbraw/zinc/51/79/67/600517967.db2.gz PZABKVDWXBWABW-KRWDZBQOSA-N -1 1 374.462 2.328 20 0 FEADMM CC[C@](C)(NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000736863758 600560534 /nfs/dbraw/zinc/56/05/34/600560534.db2.gz OIJDISFBQQZZDW-AWEZNQCLSA-N -1 1 358.320 2.363 20 0 FEADMM C[C@@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000736216583 600586952 /nfs/dbraw/zinc/58/69/52/600586952.db2.gz WYMPZTJYRREXJI-HNNXBMFYSA-N -1 1 356.422 2.400 20 0 FEADMM COc1ccc([C@@H](NC(=O)[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000737958116 600587530 /nfs/dbraw/zinc/58/75/30/600587530.db2.gz WXJRGRDNYPGZKR-KBXCAEBGSA-N -1 1 356.422 2.458 20 0 FEADMM C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000738180647 600612516 /nfs/dbraw/zinc/61/25/16/600612516.db2.gz XYMACEKGGJFFIZ-NRFANRHFSA-N -1 1 359.450 2.126 20 0 FEADMM CCN(C)[C@@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000737069312 600619722 /nfs/dbraw/zinc/61/97/22/600619722.db2.gz RJADQOPXGXLLOF-LJQANCHMSA-N -1 1 356.422 2.459 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)NCc3cccc(OCC(=O)[O-])c3)c2=O)[nH+]1 ZINC000738664513 600648446 /nfs/dbraw/zinc/64/84/46/600648446.db2.gz FXYLGDDSWKBWAJ-UHFFFAOYSA-N -1 1 367.361 2.037 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736940770 600651697 /nfs/dbraw/zinc/65/16/97/600651697.db2.gz HPRDHGVPFNVCCK-AWEZNQCLSA-N -1 1 354.472 2.236 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCOC3=O)cc2)cs1 ZINC000833305882 600676950 /nfs/dbraw/zinc/67/69/50/600676950.db2.gz OOZCLAJVPQBMPL-UHFFFAOYSA-N -1 1 368.392 2.204 20 0 FEADMM CCCNC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000614868755 600677031 /nfs/dbraw/zinc/67/70/31/600677031.db2.gz MOQRSERPDRTZSS-UHFFFAOYSA-N -1 1 368.436 2.387 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c[nH]1 ZINC000588631499 600680077 /nfs/dbraw/zinc/68/00/77/600680077.db2.gz FAYULLMKKDXATE-UHFFFAOYSA-N -1 1 373.394 2.176 20 0 FEADMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)NCCN2CCCCCC2)c1 ZINC000833296887 600706562 /nfs/dbraw/zinc/70/65/62/600706562.db2.gz CJKDOOLSNOVNDZ-UHFFFAOYSA-N -1 1 360.863 2.193 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)N1CCC(C)CC1 ZINC000828284081 600726371 /nfs/dbraw/zinc/72/63/71/600726371.db2.gz BYPNNDHAGIYMAX-LBPRGKRZSA-N -1 1 374.890 2.437 20 0 FEADMM Cc1ccc2nc(CNS(=O)(=O)c3cc(C(=O)[O-])ccc3F)[nH]c2c1 ZINC000832958670 600792082 /nfs/dbraw/zinc/79/20/82/600792082.db2.gz GRKJDEPHOWZNJE-UHFFFAOYSA-N -1 1 363.370 2.187 20 0 FEADMM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)Cc1ccn[nH]1 ZINC000827957801 600921585 /nfs/dbraw/zinc/92/15/85/600921585.db2.gz PXEJTDHVHZTIJY-GFCCVEGCSA-N -1 1 354.366 2.428 20 0 FEADMM CC(C)C[C@@H](NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)C(=O)[O-] ZINC000736412703 600955832 /nfs/dbraw/zinc/95/58/32/600955832.db2.gz PLTADTCXTBSKDG-QGZVFWFLSA-N -1 1 372.469 2.358 20 0 FEADMM C[C@H](CCc1cccc(F)c1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630223046 601083829 /nfs/dbraw/zinc/08/38/29/601083829.db2.gz IFDTZZHONOHIHY-CABCVRRESA-N -1 1 350.434 2.402 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 ZINC000827361774 601086152 /nfs/dbraw/zinc/08/61/52/601086152.db2.gz FMNJIPOMZUEZMO-CYBMUJFWSA-N -1 1 354.834 2.116 20 0 FEADMM Cc1nc2cc(F)ccc2cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221669 601095988 /nfs/dbraw/zinc/09/59/88/601095988.db2.gz BFYBJCFSLLOWDU-LBPRGKRZSA-N -1 1 359.401 2.303 20 0 FEADMM COc1ccccc1C[C@@H](C)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630221445 601096576 /nfs/dbraw/zinc/09/65/76/601096576.db2.gz ANABEPAEJKEOCK-HZPDHXFCSA-N -1 1 362.470 2.271 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000827369274 601124129 /nfs/dbraw/zinc/12/41/29/601124129.db2.gz TTZLWUVFZSHBNC-HNNXBMFYSA-N -1 1 360.458 2.300 20 0 FEADMM CCC(CC)c1nnc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)s1 ZINC000828870880 601126646 /nfs/dbraw/zinc/12/66/46/601126646.db2.gz ZGWDGJKBGBGBKR-LLVKDONJSA-N -1 1 369.491 2.454 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000827369301 601130655 /nfs/dbraw/zinc/13/06/55/601130655.db2.gz UHXWOVKUEIKUPZ-OAHLLOKOSA-N -1 1 360.458 2.300 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c2)no1 ZINC000832991879 601131472 /nfs/dbraw/zinc/13/14/72/601131472.db2.gz UZVZPFOPEKDYLA-LBPRGKRZSA-N -1 1 373.413 2.058 20 0 FEADMM COc1ccc2cc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)ccc2n1 ZINC000832504932 601131969 /nfs/dbraw/zinc/13/19/69/601131969.db2.gz ZNTKGYKPCAKMHP-ZDUSSCGKSA-N -1 1 372.425 2.256 20 0 FEADMM C[C@@H](CS(=O)(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000828284724 601272784 /nfs/dbraw/zinc/27/27/84/601272784.db2.gz HLBGEDOZOZBNKQ-KBPBESRZSA-N -1 1 374.528 2.161 20 0 FEADMM O=C([O-])[C@H]1CN(C(=O)CSc2n[nH]c(=S)s2)c2ccccc21 ZINC000833192354 601284918 /nfs/dbraw/zinc/28/49/18/601284918.db2.gz BLMBOZMEUDGGKK-QMMMGPOBSA-N -1 1 353.450 2.134 20 0 FEADMM CN(C(=O)CSc1n[nH]c(=S)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830496139 601287215 /nfs/dbraw/zinc/28/72/15/601287215.db2.gz WQLIFAHUJYNJFC-SNVBAGLBSA-N -1 1 355.466 2.203 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCC#N)c1 ZINC000042794400 601324034 /nfs/dbraw/zinc/32/40/34/601324034.db2.gz NNMPWUHVZGFKPD-UHFFFAOYSA-N -1 1 362.363 2.097 20 0 FEADMM COc1ccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1F ZINC000832407658 601339170 /nfs/dbraw/zinc/33/91/70/601339170.db2.gz JIHMQMOLFROJDT-LLVKDONJSA-N -1 1 355.435 2.012 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000833285298 601356044 /nfs/dbraw/zinc/35/60/44/601356044.db2.gz BGUKDQXUTPDOPK-LJQANCHMSA-N -1 1 361.442 2.285 20 0 FEADMM CC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000825960202 601382565 /nfs/dbraw/zinc/38/25/65/601382565.db2.gz HZBUEHRCRTWGFG-UHFFFAOYSA-N -1 1 354.771 2.437 20 0 FEADMM COC[C@@](C)(CC(=O)[O-])NCc1cn2cc(Br)ccc2n1 ZINC000831586107 601491551 /nfs/dbraw/zinc/49/15/51/601491551.db2.gz SXLZAHWUOLWROO-CQSZACIVSA-N -1 1 356.220 2.066 20 0 FEADMM CCC1CCC(NCC(=O)N[C@H](Cc2ccccc2)C(C)=O)(C(=O)[O-])CC1 ZINC000829101293 601493809 /nfs/dbraw/zinc/49/38/09/601493809.db2.gz NDTVZKSZAJAMPI-NCYVPVAZSA-N -1 1 374.481 2.316 20 0 FEADMM CCC1CCC(NCC(=O)Nc2ccc(C(=O)OC)cc2)(C(=O)[O-])CC1 ZINC000829106769 601495418 /nfs/dbraw/zinc/49/54/18/601495418.db2.gz CQAPOXYBSURULY-UHFFFAOYSA-N -1 1 362.426 2.425 20 0 FEADMM CCC1CCC(NCC(=O)Nc2cccc(C(=O)OC)c2)(C(=O)[O-])CC1 ZINC000829107498 601495494 /nfs/dbraw/zinc/49/54/94/601495494.db2.gz MLKFOPANQXXMLE-UHFFFAOYSA-N -1 1 362.426 2.425 20 0 FEADMM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000826045433 601656415 /nfs/dbraw/zinc/65/64/15/601656415.db2.gz UBHKZYLKTLYAKQ-BFUOFWGJSA-N -1 1 367.405 2.023 20 0 FEADMM Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)C[C@@H](C)C(=O)[O-])[nH]c2c1 ZINC000832959617 601784074 /nfs/dbraw/zinc/78/40/74/601784074.db2.gz XKIYBJYBDFKBHT-BXUZGUMPSA-N -1 1 351.428 2.059 20 0 FEADMM CN(C)C(=O)c1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000830568949 601785917 /nfs/dbraw/zinc/78/59/17/601785917.db2.gz BUORNZPJRKMFNH-UHFFFAOYSA-N -1 1 372.399 2.088 20 0 FEADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccsc3C(=O)[O-])cc21 ZINC000828046242 601832366 /nfs/dbraw/zinc/83/23/66/601832366.db2.gz QYVXSTKOJGJSDD-UHFFFAOYSA-N -1 1 366.420 2.477 20 0 FEADMM C[NH+](C)Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830624150 601847832 /nfs/dbraw/zinc/84/78/32/601847832.db2.gz YDJPGPLYEOPGHP-UHFFFAOYSA-N -1 1 352.387 2.386 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000828019683 601849966 /nfs/dbraw/zinc/84/99/66/601849966.db2.gz AMSVYSQDGAGRKG-MLGOLLRUSA-N -1 1 370.327 2.134 20 0 FEADMM COc1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc(OC)c1 ZINC000832030275 601854822 /nfs/dbraw/zinc/85/48/22/601854822.db2.gz LBCAEMBGXLJYBO-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000833334371 601855055 /nfs/dbraw/zinc/85/50/55/601855055.db2.gz DBYGQMZLKQGPAO-LBPRGKRZSA-N -1 1 363.391 2.353 20 0 FEADMM CN(Cc1cc(Cl)cn1C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000830806493 601966561 /nfs/dbraw/zinc/96/65/61/601966561.db2.gz NTHUOGVHZSDUPL-OAHLLOKOSA-N -1 1 352.818 2.248 20 0 FEADMM COCCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000831788266 601987851 /nfs/dbraw/zinc/98/78/51/601987851.db2.gz MRGKSBIPTFCVBT-UHFFFAOYSA-N -1 1 365.407 2.352 20 0 FEADMM Cc1occc1-c1nnc(SCc2ccnc(-c3nnn[n-]3)c2)n1C ZINC000826342631 607537814 /nfs/dbraw/zinc/53/78/14/607537814.db2.gz SZFKJCOGHUDNBM-UHFFFAOYSA-N -1 1 354.399 2.251 20 0 FEADMM Cc1occc1-c1nnc(SCc2ccnc(-c3nn[n-]n3)c2)n1C ZINC000826342631 607537815 /nfs/dbraw/zinc/53/78/15/607537815.db2.gz SZFKJCOGHUDNBM-UHFFFAOYSA-N -1 1 354.399 2.251 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000832917762 602017355 /nfs/dbraw/zinc/01/73/55/602017355.db2.gz WXDLYOOXPBEMRA-LBPRGKRZSA-N -1 1 357.366 2.018 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@H](NC(=O)[O-])C2)N2CCCC2)o1 ZINC000738262040 602020198 /nfs/dbraw/zinc/02/01/98/602020198.db2.gz SOAKHGHVBJRBBP-GJZGRUSLSA-N -1 1 364.446 2.167 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccsc1 ZINC000739604807 602087095 /nfs/dbraw/zinc/08/70/95/602087095.db2.gz AGNYSDAYUOQSGT-TZMCWYRMSA-N -1 1 354.476 2.040 20 0 FEADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3cccc4[nH]ncc43)nc2)CC1 ZINC000740462095 602121341 /nfs/dbraw/zinc/12/13/41/602121341.db2.gz MCIQKNOHJVPBLD-UHFFFAOYSA-N -1 1 366.381 2.010 20 0 FEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000833334869 602157928 /nfs/dbraw/zinc/15/79/28/602157928.db2.gz IMFJIYMLQKVAIK-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM CC[C@@]1(C)CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000829050186 602241225 /nfs/dbraw/zinc/24/12/25/602241225.db2.gz NEJUFZZZIBMAIT-XLIONFOSSA-N -1 1 357.454 2.402 20 0 FEADMM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1 ZINC000833239784 602308933 /nfs/dbraw/zinc/30/89/33/602308933.db2.gz LYPUUVUBHJAOMH-UHFFFAOYSA-N -1 1 355.343 2.186 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1F ZINC000831434825 602322542 /nfs/dbraw/zinc/32/25/42/602322542.db2.gz FSIYLDWPXBYOQM-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CC1(C)CN(C(=O)C2CCN(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000737731516 602523550 /nfs/dbraw/zinc/52/35/50/602523550.db2.gz RSSLGNHBJQSMAJ-UHFFFAOYSA-N -1 1 359.470 2.499 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739956977 602532642 /nfs/dbraw/zinc/53/26/42/602532642.db2.gz HYUANYXDWKCELO-KKUMJFAQSA-N -1 1 363.458 2.193 20 0 FEADMM COCCN1CC[C@@H](NC(=O)c2cc3ccccc3cc2NC(=O)[O-])C1 ZINC000739833024 602575363 /nfs/dbraw/zinc/57/53/63/602575363.db2.gz JBDJTCXEGQCFCN-OAHLLOKOSA-N -1 1 357.410 2.380 20 0 FEADMM Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826288708 607575318 /nfs/dbraw/zinc/57/53/18/607575318.db2.gz STQWAWZSDGWCGH-UHFFFAOYSA-N -1 1 363.830 2.307 20 0 FEADMM O=S(=O)(NCCc1cccs1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491510 607578856 /nfs/dbraw/zinc/57/88/56/607578856.db2.gz MNYKFMGNPPXCEO-UHFFFAOYSA-N -1 1 369.859 2.103 20 0 FEADMM O=S(=O)(NCCc1cccs1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491510 607578858 /nfs/dbraw/zinc/57/88/58/607578858.db2.gz MNYKFMGNPPXCEO-UHFFFAOYSA-N -1 1 369.859 2.103 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000826303937 607578862 /nfs/dbraw/zinc/57/88/62/607578862.db2.gz NGZYAEBLBISVNS-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM C[C@@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738984168 602665128 /nfs/dbraw/zinc/66/51/28/602665128.db2.gz VOULJYYRONMBFH-TZMCWYRMSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738984168 602665130 /nfs/dbraw/zinc/66/51/30/602665130.db2.gz VOULJYYRONMBFH-TZMCWYRMSA-N -1 1 372.429 2.049 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824429857 607577971 /nfs/dbraw/zinc/57/79/71/607577971.db2.gz ZRFZMFCCVPXPHF-LLVKDONJSA-N -1 1 361.402 2.088 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824429857 607577973 /nfs/dbraw/zinc/57/79/73/607577973.db2.gz ZRFZMFCCVPXPHF-LLVKDONJSA-N -1 1 361.402 2.088 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739139315 602887710 /nfs/dbraw/zinc/88/77/10/602887710.db2.gz UAXIWPOOHLAJTF-BZPMIXESSA-N -1 1 354.476 2.133 20 0 FEADMM Cc1ccc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1NC(=O)[O-] ZINC000830210561 602924426 /nfs/dbraw/zinc/92/44/26/602924426.db2.gz APKSWYLVZFWATI-QGZVFWFLSA-N -1 1 362.474 2.087 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739138354 602928528 /nfs/dbraw/zinc/92/85/28/602928528.db2.gz RTVSJDMHUDVZCS-FRRDWIJNSA-N -1 1 354.476 2.038 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)CC(C)(C)NC(=O)[O-])N1CCCC1 ZINC000739955847 603013837 /nfs/dbraw/zinc/01/38/37/603013837.db2.gz CSIKVIMKIQCUJQ-HNNXBMFYSA-N -1 1 363.458 2.385 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=Cc3cccnc3)cc2)n1 ZINC000740681329 603060019 /nfs/dbraw/zinc/06/00/19/603060019.db2.gz FWYHOIRHBTXOJC-BAQGIRSFSA-N -1 1 364.365 2.286 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C=Cc3cccnc3)cc2)n[nH]1 ZINC000740681329 603060025 /nfs/dbraw/zinc/06/00/25/603060025.db2.gz FWYHOIRHBTXOJC-BAQGIRSFSA-N -1 1 364.365 2.286 20 0 FEADMM C[C@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000824392119 607606301 /nfs/dbraw/zinc/60/63/01/607606301.db2.gz MEVCRMYQSFBYMQ-GFCCVEGCSA-N -1 1 351.366 2.214 20 0 FEADMM C[C@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000824392119 607606303 /nfs/dbraw/zinc/60/63/03/607606303.db2.gz MEVCRMYQSFBYMQ-GFCCVEGCSA-N -1 1 351.366 2.214 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739532792 603132162 /nfs/dbraw/zinc/13/21/62/603132162.db2.gz YYMVTQSMCGTDGF-KBPBESRZSA-N -1 1 373.375 2.442 20 0 FEADMM CN(CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000737393773 603132923 /nfs/dbraw/zinc/13/29/23/603132923.db2.gz PJEPUTFVIHHXEL-ZDUSSCGKSA-N -1 1 359.348 2.006 20 0 FEADMM C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826232580 607611771 /nfs/dbraw/zinc/61/17/71/607611771.db2.gz YRRDYTRJOODHCQ-MGCOHNPYSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826232580 607611773 /nfs/dbraw/zinc/61/17/73/607611773.db2.gz YRRDYTRJOODHCQ-MGCOHNPYSA-N -1 1 355.851 2.377 20 0 FEADMM O=S(=O)(Oc1cc(Cl)ccc1F)c1ccccc1-c1nn[n-]n1 ZINC000826493629 607618940 /nfs/dbraw/zinc/61/89/40/607618940.db2.gz UTFSRBRLQSPZAX-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723608 603389604 /nfs/dbraw/zinc/38/96/04/603389604.db2.gz LQUWJRHMGFROFZ-SMDDNHRTSA-N -1 1 366.381 2.450 20 0 FEADMM CC1CCC(N2CCN(C(=O)c3csc(CNC(=O)[O-])n3)CC2)CC1 ZINC000739087934 603400094 /nfs/dbraw/zinc/40/00/94/603400094.db2.gz UOUNOROIWUVEMG-UHFFFAOYSA-N -1 1 366.487 2.247 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C[C@H]3CCCCO3)cc2)n1 ZINC000832729905 603473252 /nfs/dbraw/zinc/47/32/52/603473252.db2.gz KCSBGZOQHHAUPP-CYBMUJFWSA-N -1 1 359.386 2.137 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C[C@H]3CCCCO3)cc2)n[nH]1 ZINC000832729905 603473256 /nfs/dbraw/zinc/47/32/56/603473256.db2.gz KCSBGZOQHHAUPP-CYBMUJFWSA-N -1 1 359.386 2.137 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1sccc1CN(C)C ZINC000826126713 603538492 /nfs/dbraw/zinc/53/84/92/603538492.db2.gz PYDRZISBTNPBFN-PWSUYJOCSA-N -1 1 355.460 2.043 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1sccc1CN(C)C ZINC000826126710 603538520 /nfs/dbraw/zinc/53/85/20/603538520.db2.gz PYDRZISBTNPBFN-JQWIXIFHSA-N -1 1 355.460 2.043 20 0 FEADMM Cc1nnc(SCCC(=O)NCC2(NC(=O)[O-])CCCCCC2)[nH]1 ZINC000830892762 603562940 /nfs/dbraw/zinc/56/29/40/603562940.db2.gz CLKPIEKRYVQVMD-UHFFFAOYSA-N -1 1 355.464 2.072 20 0 FEADMM COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826211902 607645700 /nfs/dbraw/zinc/64/57/00/607645700.db2.gz ZHCMNGCIEZFOCL-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826211902 607645702 /nfs/dbraw/zinc/64/57/02/607645702.db2.gz ZHCMNGCIEZFOCL-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM C[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824843811 607646945 /nfs/dbraw/zinc/64/69/45/607646945.db2.gz KTENOQLLNIWZKG-WMLDXEAASA-N -1 1 373.413 2.014 20 0 FEADMM C[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824843811 607646947 /nfs/dbraw/zinc/64/69/47/607646947.db2.gz KTENOQLLNIWZKG-WMLDXEAASA-N -1 1 373.413 2.014 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCc3cccnc3)cc2)n1 ZINC000832729983 603736350 /nfs/dbraw/zinc/73/63/50/603736350.db2.gz MVFZOVOZFZOOKL-UHFFFAOYSA-N -1 1 366.381 2.206 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCc3cccnc3)cc2)n[nH]1 ZINC000832729983 603736353 /nfs/dbraw/zinc/73/63/53/603736353.db2.gz MVFZOVOZFZOOKL-UHFFFAOYSA-N -1 1 366.381 2.206 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262708 603742829 /nfs/dbraw/zinc/74/28/29/603742829.db2.gz XBRFZBKVGPXLRY-GJZGRUSLSA-N -1 1 364.446 2.167 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000826087474 603892269 /nfs/dbraw/zinc/89/22/69/603892269.db2.gz NYAGSCWEEHSGMH-OIISXLGYSA-N -1 1 360.458 2.264 20 0 FEADMM C[C@H](N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1(C)CC1 ZINC000824464954 607666556 /nfs/dbraw/zinc/66/65/56/607666556.db2.gz LMZSKXLOMJLIQB-VIFPVBQESA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H](N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1(C)CC1 ZINC000824464954 607666558 /nfs/dbraw/zinc/66/65/58/607666558.db2.gz LMZSKXLOMJLIQB-VIFPVBQESA-N -1 1 355.851 2.329 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1CCN(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827993798 604027018 /nfs/dbraw/zinc/02/70/18/604027018.db2.gz GCNPLOHGPGWVQW-OAHLLOKOSA-N -1 1 368.865 2.384 20 0 FEADMM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825893839 604107554 /nfs/dbraw/zinc/10/75/54/604107554.db2.gz BKPCCUPRJGDRGD-VYDXJSESSA-N -1 1 369.506 2.209 20 0 FEADMM O=C([O-])NC1(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCC1 ZINC000832203491 604107741 /nfs/dbraw/zinc/10/77/41/604107741.db2.gz KVEAIXVCEWYMHO-UHFFFAOYSA-N -1 1 363.433 2.487 20 0 FEADMM C[C@H](NC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)c1ccc(F)cc1 ZINC000825121683 604165693 /nfs/dbraw/zinc/16/56/93/604165693.db2.gz OALLLVKLEIKCMD-KCQAQPDRSA-N -1 1 351.422 2.371 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000825264656 604195602 /nfs/dbraw/zinc/19/56/02/604195602.db2.gz MLDAYKFYVJSPHU-TZMCWYRMSA-N -1 1 353.850 2.324 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830568152 604221580 /nfs/dbraw/zinc/22/15/80/604221580.db2.gz YRVFXOYNZLNLEA-BQFCYCMXSA-N -1 1 361.486 2.410 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829592898 604259558 /nfs/dbraw/zinc/25/95/58/604259558.db2.gz WLHQSCWQUGOZNE-KKUMJFAQSA-N -1 1 363.458 2.241 20 0 FEADMM COc1cccc(-c2cc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)n[nH]2)c1 ZINC000832510435 604280322 /nfs/dbraw/zinc/28/03/22/604280322.db2.gz MNKYOWJUHMZLEG-HNNXBMFYSA-N -1 1 373.409 2.181 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000832907756 604307860 /nfs/dbraw/zinc/30/78/60/604307860.db2.gz LDJZLCNWKQPRMD-YPMHNXCESA-N -1 1 360.439 2.051 20 0 FEADMM Cc1cc(=O)oc2cc(OCCN(C)[C@@H](COC(C)C)C(=O)[O-])ccc12 ZINC000832858623 604399953 /nfs/dbraw/zinc/39/99/53/604399953.db2.gz NSWMVEWGIHLLAE-INIZCTEOSA-N -1 1 363.410 2.290 20 0 FEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000832041706 604465785 /nfs/dbraw/zinc/46/57/85/604465785.db2.gz YYXOCLCAVVKUDX-PBHICJAKSA-N -1 1 364.442 2.066 20 0 FEADMM O=C([O-])N1CC(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000833135086 604567774 /nfs/dbraw/zinc/56/77/74/604567774.db2.gz UCXHSRBVTVTTLA-HNNXBMFYSA-N -1 1 366.849 2.138 20 0 FEADMM O=C([O-])c1cc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c[nH]1 ZINC000833778628 604611652 /nfs/dbraw/zinc/61/16/52/604611652.db2.gz DAILPLTYMSYIBE-UHFFFAOYSA-N -1 1 359.401 2.129 20 0 FEADMM Clc1nsc(N2CC[C@H](OCc3ccncc3)C2)c1-c1nnn[n-]1 ZINC000826354195 608193097 /nfs/dbraw/zinc/19/30/97/608193097.db2.gz SQBWODMYHKFVQO-JTQLQIEISA-N -1 1 363.834 2.167 20 0 FEADMM Clc1nsc(N2CC[C@H](OCc3ccncc3)C2)c1-c1nn[n-]n1 ZINC000826354195 608193099 /nfs/dbraw/zinc/19/30/99/608193099.db2.gz SQBWODMYHKFVQO-JTQLQIEISA-N -1 1 363.834 2.167 20 0 FEADMM C[C@H](CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000826057958 604669782 /nfs/dbraw/zinc/66/97/82/604669782.db2.gz LJOSOGMWFUKMOH-OAGGEKHMSA-N -1 1 369.506 2.018 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000827374241 604702264 /nfs/dbraw/zinc/70/22/64/604702264.db2.gz FEKPVURYXPOVNB-SNVBAGLBSA-N -1 1 362.323 2.466 20 0 FEADMM CN1CC[C@@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833697043 604706902 /nfs/dbraw/zinc/70/69/02/604706902.db2.gz CALKRSURQYOIEB-QZTJIDSGSA-N -1 1 374.462 2.250 20 0 FEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000830857316 604762326 /nfs/dbraw/zinc/76/23/26/604762326.db2.gz XCAXCYIBZBBXJP-UHFFFAOYSA-N -1 1 353.422 2.411 20 0 FEADMM O=C([O-])CCCN(Cc1ccccc1)CN1CC2(CC1=O)CCOCC2 ZINC000833226954 604765657 /nfs/dbraw/zinc/76/56/57/604765657.db2.gz XBNGRBJMEPBZJA-UHFFFAOYSA-N -1 1 360.454 2.340 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830140027 604810515 /nfs/dbraw/zinc/81/05/15/604810515.db2.gz BCMRVIKTHHDEOU-UHFFFAOYSA-N -1 1 367.354 2.275 20 0 FEADMM C[C@@H]1[C@@H](C)N(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCN1C ZINC000833587089 604854762 /nfs/dbraw/zinc/85/47/62/604854762.db2.gz JMFGEUGXXDYRJQ-VXGBXAGGSA-N -1 1 365.499 2.288 20 0 FEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(C(=O)[O-])c(F)c3)n2)cc1 ZINC000832129691 604998235 /nfs/dbraw/zinc/99/82/35/604998235.db2.gz KJFSTRDHEKOAEZ-UHFFFAOYSA-N -1 1 370.340 2.248 20 0 FEADMM COc1ccc(-c2nc(CNC(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]2)cc1 ZINC000832129691 604998239 /nfs/dbraw/zinc/99/82/39/604998239.db2.gz KJFSTRDHEKOAEZ-UHFFFAOYSA-N -1 1 370.340 2.248 20 0 FEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CCN1C ZINC000325563993 605039761 /nfs/dbraw/zinc/03/97/61/605039761.db2.gz XOTMNLZCMJYDMA-QWRGUYRKSA-N -1 1 368.480 2.361 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000833624841 605044223 /nfs/dbraw/zinc/04/42/23/605044223.db2.gz LAVWWADKXXYFNY-RDJZCZTQSA-N -1 1 359.470 2.297 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000833620160 605105715 /nfs/dbraw/zinc/10/57/15/605105715.db2.gz KNRZERZJVCWCLD-ZLDLUXBVSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000833620543 605111807 /nfs/dbraw/zinc/11/18/07/605111807.db2.gz LDPTVRWLKJCPQX-MRVWCRGKSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000833620539 605112088 /nfs/dbraw/zinc/11/20/88/605112088.db2.gz LDPTVRWLKJCPQX-BNOWGMLFSA-N -1 1 352.381 2.076 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830084265 605149473 /nfs/dbraw/zinc/14/94/73/605149473.db2.gz IKAPEUFHXQKHGS-OAHLLOKOSA-N -1 1 360.458 2.075 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])C[C@@H]1C ZINC000833655298 605164895 /nfs/dbraw/zinc/16/48/95/605164895.db2.gz CLXGXLTZFAEQJP-NWDGAFQWSA-N -1 1 365.430 2.348 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2)CCN1CCC(=O)[O-] ZINC000833620270 605254317 /nfs/dbraw/zinc/25/43/17/605254317.db2.gz GEGXUOKOOUDETK-LLVKDONJSA-N -1 1 355.232 2.070 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccnc2SC(F)F)CCN1CCC(=O)[O-] ZINC000833623625 605256632 /nfs/dbraw/zinc/25/66/32/605256632.db2.gz OSXMDZDRNGWRQS-SNVBAGLBSA-N -1 1 359.398 2.017 20 0 FEADMM COCCN1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@H]1C ZINC000833724416 605264771 /nfs/dbraw/zinc/26/47/71/605264771.db2.gz LZOSIYQIJQIHGD-DOMZBBRYSA-N -1 1 360.376 2.484 20 0 FEADMM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000833823836 605312940 /nfs/dbraw/zinc/31/29/40/605312940.db2.gz ABRKHLUKEJBMRB-PXNSSMCTSA-N -1 1 374.485 2.379 20 0 FEADMM Cc1cc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)ccc1NC(=O)[O-] ZINC000829945104 605321069 /nfs/dbraw/zinc/32/10/69/605321069.db2.gz HQODCZXREFJKHD-QGZVFWFLSA-N -1 1 362.474 2.087 20 0 FEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCN(C(=O)CCc3ccccc3)CC2)O1 ZINC000833581339 605352155 /nfs/dbraw/zinc/35/21/55/605352155.db2.gz WPBRVUSCLURULB-GOSISDBHSA-N -1 1 372.465 2.301 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=CC3CCOCC3)cc2)n1 ZINC000832730923 605439803 /nfs/dbraw/zinc/43/98/03/605439803.db2.gz XNLYTSUPZKIMDI-LZCJLJQNSA-N -1 1 371.397 2.161 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)/C=C/C3CCOCC3)cc2)n[nH]1 ZINC000832730923 605439807 /nfs/dbraw/zinc/43/98/07/605439807.db2.gz XNLYTSUPZKIMDI-LZCJLJQNSA-N -1 1 371.397 2.161 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@@H]21 ZINC000834185053 605458429 /nfs/dbraw/zinc/45/84/29/605458429.db2.gz HSSRVVDQRDUXQA-KGYLQXTDSA-N -1 1 352.822 2.042 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103308 605470721 /nfs/dbraw/zinc/47/07/21/605470721.db2.gz AHONNVNOSALIHG-SJORKVTESA-N -1 1 359.474 2.431 20 0 FEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000834103308 605470727 /nfs/dbraw/zinc/47/07/27/605470727.db2.gz AHONNVNOSALIHG-SJORKVTESA-N -1 1 359.474 2.431 20 0 FEADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCCC[C@@H]1CNC(=O)[O-] ZINC000833919838 605557340 /nfs/dbraw/zinc/55/73/40/605557340.db2.gz PNIFCICKYWHYKB-OAHLLOKOSA-N -1 1 366.462 2.074 20 0 FEADMM CC(C)(CNC(=O)[O-])NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000823978645 605557426 /nfs/dbraw/zinc/55/74/26/605557426.db2.gz JLGXCMYRLPZXQB-ZDUSSCGKSA-N -1 1 352.435 2.152 20 0 FEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000824304780 605665776 /nfs/dbraw/zinc/66/57/76/605665776.db2.gz KMVGCFAGPONNGD-KRWDZBQOSA-N -1 1 362.474 2.055 20 0 FEADMM O=C([O-])NC[C@H](NC(=O)CCc1nc[nH]n1)c1ccc2ccccc2c1 ZINC000834204279 605707850 /nfs/dbraw/zinc/70/78/50/605707850.db2.gz DJPAZOSGWHZGAY-HNNXBMFYSA-N -1 1 353.382 2.016 20 0 FEADMM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000833808813 605819739 /nfs/dbraw/zinc/81/97/39/605819739.db2.gz QNPPOFZATKXAMU-ZIAGYGMSSA-N -1 1 352.435 2.010 20 0 FEADMM O=C([O-])N1CC[C@H](NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834081707 605822961 /nfs/dbraw/zinc/82/29/61/605822961.db2.gz DZCGCXLFFUDHMD-UONOGXRCSA-N -1 1 370.413 2.071 20 0 FEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1C[C@H](O)c1cccc(Br)c1 ZINC000833835139 605897447 /nfs/dbraw/zinc/89/74/47/605897447.db2.gz UYALNJWPHPYYPX-SUNKGSAMSA-N -1 1 357.248 2.461 20 0 FEADMM O=C([O-])N1CC[C@@](F)(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834083097 605971193 /nfs/dbraw/zinc/97/11/93/605971193.db2.gz HBFGGLHNUKJZGT-ACJLOTCBSA-N -1 1 373.388 2.227 20 0 FEADMM O=C([O-])N1CCCC[C@H]1CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000834110013 605981856 /nfs/dbraw/zinc/98/18/56/605981856.db2.gz VKIYYUSKDPSQKB-GXTWGEPZSA-N -1 1 356.419 2.166 20 0 FEADMM CC(C)C[C@@H](CNC(=O)[O-])N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000833796050 605982853 /nfs/dbraw/zinc/98/28/53/605982853.db2.gz SLSHWLKKDFLDPX-JSGCOSHPSA-N -1 1 358.435 2.316 20 0 FEADMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000833826461 606029581 /nfs/dbraw/zinc/02/95/81/606029581.db2.gz HAHDPQQIPZKNDG-ACJLOTCBSA-N -1 1 357.414 2.304 20 0 FEADMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000833826461 606029584 /nfs/dbraw/zinc/02/95/84/606029584.db2.gz HAHDPQQIPZKNDG-ACJLOTCBSA-N -1 1 357.414 2.304 20 0 FEADMM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000559071506 674526921 /nfs/dbraw/zinc/52/69/21/674526921.db2.gz RTSFQEDDVBRASZ-QWRGUYRKSA-N -1 1 369.409 2.311 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)o1 ZINC000834247637 606094272 /nfs/dbraw/zinc/09/42/72/606094272.db2.gz ZEBUFWWWYLLWOQ-NSHDSACASA-N -1 1 359.386 2.063 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000819923406 606100428 /nfs/dbraw/zinc/10/04/28/606100428.db2.gz ZWFCONQITYLQBD-ZETCQYMHSA-N -1 1 356.839 2.145 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000819923406 606100430 /nfs/dbraw/zinc/10/04/30/606100430.db2.gz ZWFCONQITYLQBD-ZETCQYMHSA-N -1 1 356.839 2.145 20 0 FEADMM C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820562849 606134432 /nfs/dbraw/zinc/13/44/32/606134432.db2.gz JJPDZKPAOBAFSW-LLVKDONJSA-N -1 1 371.422 2.305 20 0 FEADMM C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820562849 606134433 /nfs/dbraw/zinc/13/44/33/606134433.db2.gz JJPDZKPAOBAFSW-LLVKDONJSA-N -1 1 371.422 2.305 20 0 FEADMM Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822237302 606137833 /nfs/dbraw/zinc/13/78/33/606137833.db2.gz OAURAFJUJFJWAN-LLVKDONJSA-N -1 1 371.422 2.098 20 0 FEADMM Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822237302 606137834 /nfs/dbraw/zinc/13/78/34/606137834.db2.gz OAURAFJUJFJWAN-LLVKDONJSA-N -1 1 371.422 2.098 20 0 FEADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820219900 606162978 /nfs/dbraw/zinc/16/29/78/606162978.db2.gz LCJFJNAYBLQBDI-GFCCVEGCSA-N -1 1 366.429 2.433 20 0 FEADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820219900 606162980 /nfs/dbraw/zinc/16/29/80/606162980.db2.gz LCJFJNAYBLQBDI-GFCCVEGCSA-N -1 1 366.429 2.433 20 0 FEADMM CC(C)CN(CCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820087265 606163145 /nfs/dbraw/zinc/16/31/45/606163145.db2.gz OPUYQTSIPKAUGH-UHFFFAOYSA-N -1 1 368.445 2.333 20 0 FEADMM CC(C)CN(CCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820087265 606163147 /nfs/dbraw/zinc/16/31/47/606163147.db2.gz OPUYQTSIPKAUGH-UHFFFAOYSA-N -1 1 368.445 2.333 20 0 FEADMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820668129 606172441 /nfs/dbraw/zinc/17/24/41/606172441.db2.gz QAKZPGKTGIMACH-IINYFYTJSA-N -1 1 370.392 2.354 20 0 FEADMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820668129 606172442 /nfs/dbraw/zinc/17/24/42/606172442.db2.gz QAKZPGKTGIMACH-IINYFYTJSA-N -1 1 370.392 2.354 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCCS2)c1-c1nn[n-]n1 ZINC000822486378 606191724 /nfs/dbraw/zinc/19/17/24/606191724.db2.gz HZPHQDKUOOHGQR-CQSZACIVSA-N -1 1 370.438 2.300 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(Cn2cccn2)cc1 ZINC000823294433 606195992 /nfs/dbraw/zinc/19/59/92/606195992.db2.gz ABKBODMRVSIDTC-UHFFFAOYSA-N -1 1 361.365 2.069 20 0 FEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1 ZINC000821786615 606236945 /nfs/dbraw/zinc/23/69/45/606236945.db2.gz GNZKXSUKIVUYDA-TWGQIWQCSA-N -1 1 356.411 2.316 20 0 FEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821786615 606236948 /nfs/dbraw/zinc/23/69/48/606236948.db2.gz GNZKXSUKIVUYDA-TWGQIWQCSA-N -1 1 356.411 2.316 20 0 FEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1 ZINC000821786614 606236965 /nfs/dbraw/zinc/23/69/65/606236965.db2.gz GNZKXSUKIVUYDA-RMKNXTFCSA-N -1 1 356.411 2.316 20 0 FEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821786614 606236967 /nfs/dbraw/zinc/23/69/67/606236967.db2.gz GNZKXSUKIVUYDA-RMKNXTFCSA-N -1 1 356.411 2.316 20 0 FEADMM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823367016 606284847 /nfs/dbraw/zinc/28/48/47/606284847.db2.gz DDXJLTHFYDMBLF-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823367016 606284848 /nfs/dbraw/zinc/28/48/48/606284848.db2.gz DDXJLTHFYDMBLF-UHFFFAOYSA-N -1 1 360.337 2.096 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000823294650 606293326 /nfs/dbraw/zinc/29/33/26/606293326.db2.gz LUUXTZPPPQAFAP-UHFFFAOYSA-N -1 1 350.260 2.238 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)NC(=S)N1c1ccccc1F ZINC000823503896 606389767 /nfs/dbraw/zinc/38/97/67/606389767.db2.gz KGZACLBYILKGNN-JXMROGBWSA-N -1 1 372.410 2.330 20 0 FEADMM COc1cccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)c1 ZINC000821862618 606392029 /nfs/dbraw/zinc/39/20/29/606392029.db2.gz DEYNVPWFSYMIAI-XYOKQWHBSA-N -1 1 353.363 2.281 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)NC(=S)N1Cc1ccccc1 ZINC000823504140 606394826 /nfs/dbraw/zinc/39/48/26/606394826.db2.gz MRZDVKZPWLPNFI-XYOKQWHBSA-N -1 1 368.447 2.186 20 0 FEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nnc2n1CCCCC2 ZINC000820454989 606447635 /nfs/dbraw/zinc/44/76/35/606447635.db2.gz ANZQXRLELXGSPI-SECBINFHSA-N -1 1 359.825 2.406 20 0 FEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nnc2n1CCCCC2 ZINC000820454989 606447637 /nfs/dbraw/zinc/44/76/37/606447637.db2.gz ANZQXRLELXGSPI-SECBINFHSA-N -1 1 359.825 2.406 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000823478363 606509466 /nfs/dbraw/zinc/50/94/66/606509466.db2.gz KDYNVHZVRMVPAX-QWRGUYRKSA-N -1 1 365.484 2.055 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000823478363 606509467 /nfs/dbraw/zinc/50/94/67/606509467.db2.gz KDYNVHZVRMVPAX-QWRGUYRKSA-N -1 1 365.484 2.055 20 0 FEADMM O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250242 606535904 /nfs/dbraw/zinc/53/59/04/606535904.db2.gz UOTVJRHAVCICGD-UHFFFAOYSA-N -1 1 369.385 2.183 20 0 FEADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821877549 606544129 /nfs/dbraw/zinc/54/41/29/606544129.db2.gz LPTAARDZBKGORS-JTQLQIEISA-N -1 1 357.395 2.190 20 0 FEADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821877549 606544131 /nfs/dbraw/zinc/54/41/31/606544131.db2.gz LPTAARDZBKGORS-JTQLQIEISA-N -1 1 357.395 2.190 20 0 FEADMM O=C(NCc1cccc(N2CC=CC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261958 606570407 /nfs/dbraw/zinc/57/04/07/606570407.db2.gz XZCZAKSOKYSXEL-UHFFFAOYSA-N -1 1 352.423 2.234 20 0 FEADMM O=C(NCc1cccc(N2CC=CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261958 606570408 /nfs/dbraw/zinc/57/04/08/606570408.db2.gz XZCZAKSOKYSXEL-UHFFFAOYSA-N -1 1 352.423 2.234 20 0 FEADMM CC(C)Oc1ccc([C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820155694 606598058 /nfs/dbraw/zinc/59/80/58/606598058.db2.gz VKQYTQIZZGWBEC-CYBMUJFWSA-N -1 1 373.438 2.179 20 0 FEADMM CC(C)Oc1ccc([C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820155694 606598059 /nfs/dbraw/zinc/59/80/59/606598059.db2.gz VKQYTQIZZGWBEC-CYBMUJFWSA-N -1 1 373.438 2.179 20 0 FEADMM CO[C@H]1C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821679053 606604945 /nfs/dbraw/zinc/60/49/45/606604945.db2.gz WKPQRKBYCFBBPD-NEPJUHHUSA-N -1 1 370.413 2.102 20 0 FEADMM CO[C@H]1C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821679053 606604947 /nfs/dbraw/zinc/60/49/47/606604947.db2.gz WKPQRKBYCFBBPD-NEPJUHHUSA-N -1 1 370.413 2.102 20 0 FEADMM Cc1ccc(Cl)c(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822239934 606647330 /nfs/dbraw/zinc/64/73/30/606647330.db2.gz LEXBNDDQAXGFPZ-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM Cc1ccc(Cl)c(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822239934 606647331 /nfs/dbraw/zinc/64/73/31/606647331.db2.gz LEXBNDDQAXGFPZ-UHFFFAOYSA-N -1 1 359.773 2.346 20 0 FEADMM COc1ccccc1C(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821883413 606647393 /nfs/dbraw/zinc/64/73/93/606647393.db2.gz VQTVDVIZJXNUBK-UHFFFAOYSA-N -1 1 353.382 2.291 20 0 FEADMM COc1ccccc1C(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821883413 606647394 /nfs/dbraw/zinc/64/73/94/606647394.db2.gz VQTVDVIZJXNUBK-UHFFFAOYSA-N -1 1 353.382 2.291 20 0 FEADMM COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821863535 606651151 /nfs/dbraw/zinc/65/11/51/606651151.db2.gz MQJYUSYROTZIGJ-GJZGRUSLSA-N -1 1 351.366 2.117 20 0 FEADMM COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821863535 606651152 /nfs/dbraw/zinc/65/11/52/606651152.db2.gz MQJYUSYROTZIGJ-GJZGRUSLSA-N -1 1 351.366 2.117 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1noc(-c2ccccc2)n1 ZINC000820397541 606747257 /nfs/dbraw/zinc/74/72/57/606747257.db2.gz QECNELSFAXBUKW-SECBINFHSA-N -1 1 367.394 2.469 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1noc(-c2ccccc2)n1 ZINC000820397541 606747259 /nfs/dbraw/zinc/74/72/59/606747259.db2.gz QECNELSFAXBUKW-SECBINFHSA-N -1 1 367.394 2.469 20 0 FEADMM O=C(C1CCCC1)N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822917710 606792476 /nfs/dbraw/zinc/79/24/76/606792476.db2.gz VRMYBXQDIHJVTH-NSHDSACASA-N -1 1 361.837 2.118 20 0 FEADMM O=C(C1CCCC1)N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822917710 606792477 /nfs/dbraw/zinc/79/24/77/606792477.db2.gz VRMYBXQDIHJVTH-NSHDSACASA-N -1 1 361.837 2.118 20 0 FEADMM CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821230386 606840479 /nfs/dbraw/zinc/84/04/79/606840479.db2.gz JKEJZMSCKJPHIF-UHFFFAOYSA-N -1 1 367.431 2.278 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(Cc1ccccc1)C1CC1 ZINC000823601049 606841579 /nfs/dbraw/zinc/84/15/79/606841579.db2.gz OVUBQLIZJBRSNL-UHFFFAOYSA-N -1 1 373.413 2.359 20 0 FEADMM CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820981336 606843423 /nfs/dbraw/zinc/84/34/23/606843423.db2.gz RGAWHQWTRNCHIR-GFCCVEGCSA-N -1 1 353.423 2.349 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC/C(Cl)=C\Cl ZINC000822009912 606944771 /nfs/dbraw/zinc/94/47/71/606944771.db2.gz HIQQKEISVQMYSY-WEVVVXLNSA-N -1 1 372.212 2.379 20 0 FEADMM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)ccc2O1 ZINC000820607633 607034672 /nfs/dbraw/zinc/03/46/72/607034672.db2.gz XJKZNUFFPBEHOT-UHFFFAOYSA-N -1 1 371.422 2.381 20 0 FEADMM CC(C)C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820067568 607048764 /nfs/dbraw/zinc/04/87/64/607048764.db2.gz KDNZRIVBGRAZSG-GFCCVEGCSA-N -1 1 367.450 2.453 20 0 FEADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820913645 607094019 /nfs/dbraw/zinc/09/40/19/607094019.db2.gz IKRHFYAOAIPCFW-CQSZACIVSA-N -1 1 368.445 2.475 20 0 FEADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820913645 607094020 /nfs/dbraw/zinc/09/40/20/607094020.db2.gz IKRHFYAOAIPCFW-CQSZACIVSA-N -1 1 368.445 2.475 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000823383621 607105680 /nfs/dbraw/zinc/10/56/80/607105680.db2.gz WRZSYCVFKOOWOJ-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000823383621 607105681 /nfs/dbraw/zinc/10/56/81/607105681.db2.gz WRZSYCVFKOOWOJ-UHFFFAOYSA-N -1 1 372.801 2.415 20 0 FEADMM CC[C@@H](C)N(OC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000810602230 674552660 /nfs/dbraw/zinc/55/26/60/674552660.db2.gz NPCGGIBQKZWVRO-SECBINFHSA-N -1 1 369.270 2.460 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826493698 607867984 /nfs/dbraw/zinc/86/79/84/607867984.db2.gz XUJOMIKJXRXMNR-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826493698 607867985 /nfs/dbraw/zinc/86/79/85/607867985.db2.gz XUJOMIKJXRXMNR-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccncc1 ZINC000825796731 607895602 /nfs/dbraw/zinc/89/56/02/607895602.db2.gz LAOYXUBSCYWICG-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccncc1 ZINC000825796731 607895603 /nfs/dbraw/zinc/89/56/03/607895603.db2.gz LAOYXUBSCYWICG-UHFFFAOYSA-N -1 1 351.399 2.086 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)[C@@H]1CCSC1 ZINC000826340941 607918350 /nfs/dbraw/zinc/91/83/50/607918350.db2.gz PTAQHAJIIHBMAV-LLVKDONJSA-N -1 1 358.427 2.136 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)[C@@H]1CCSC1 ZINC000826340941 607918351 /nfs/dbraw/zinc/91/83/51/607918351.db2.gz PTAQHAJIIHBMAV-LLVKDONJSA-N -1 1 358.427 2.136 20 0 FEADMM Cc1cc([C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262136 608007987 /nfs/dbraw/zinc/00/79/87/608007987.db2.gz FLYKSFJHPSBQGQ-AWEZNQCLSA-N -1 1 370.392 2.321 20 0 FEADMM Cc1cc([C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262136 608007988 /nfs/dbraw/zinc/00/79/88/608007988.db2.gz FLYKSFJHPSBQGQ-AWEZNQCLSA-N -1 1 370.392 2.321 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000826425355 608013704 /nfs/dbraw/zinc/01/37/04/608013704.db2.gz ZILZWIASDKKDOU-UHFFFAOYSA-N -1 1 371.710 2.374 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000826425355 608013705 /nfs/dbraw/zinc/01/37/05/608013705.db2.gz ZILZWIASDKKDOU-UHFFFAOYSA-N -1 1 371.710 2.374 20 0 FEADMM O=C(NC1(CCOCc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427704 608030673 /nfs/dbraw/zinc/03/06/73/608030673.db2.gz XSPRDYIVKPFSON-UHFFFAOYSA-N -1 1 364.409 2.131 20 0 FEADMM O=C(NC1(CCOCc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427704 608030674 /nfs/dbraw/zinc/03/06/74/608030674.db2.gz XSPRDYIVKPFSON-UHFFFAOYSA-N -1 1 364.409 2.131 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCCN1c1ccccc1F ZINC000826478212 608053827 /nfs/dbraw/zinc/05/38/27/608053827.db2.gz XAJICZTZRBTKSW-CYBMUJFWSA-N -1 1 353.361 2.008 20 0 FEADMM O=C1[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCCN1c1ccccc1F ZINC000826478212 608053828 /nfs/dbraw/zinc/05/38/28/608053828.db2.gz XAJICZTZRBTKSW-CYBMUJFWSA-N -1 1 353.361 2.008 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1Cc1ccccc1 ZINC000826424758 608147421 /nfs/dbraw/zinc/14/74/21/608147421.db2.gz BEWVHELSEHIKMQ-UHFFFAOYSA-N -1 1 359.393 2.293 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1Cc1ccccc1 ZINC000826424758 608147422 /nfs/dbraw/zinc/14/74/22/608147422.db2.gz BEWVHELSEHIKMQ-UHFFFAOYSA-N -1 1 359.393 2.293 20 0 FEADMM Cn1cc([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)cn1 ZINC000826359290 608181723 /nfs/dbraw/zinc/18/17/23/608181723.db2.gz BMWRVYFXPRMPNQ-MRVPVSSYSA-N -1 1 350.839 2.094 20 0 FEADMM Cn1cc([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)cn1 ZINC000826359290 608181725 /nfs/dbraw/zinc/18/17/25/608181725.db2.gz BMWRVYFXPRMPNQ-MRVPVSSYSA-N -1 1 350.839 2.094 20 0 FEADMM Clc1nsc(NCc2n[nH]cc2Br)c1-c1nnn[n-]1 ZINC000826353999 608184282 /nfs/dbraw/zinc/18/42/82/608184282.db2.gz LXYOOUVNYHIXDG-UHFFFAOYSA-N -1 1 361.616 2.074 20 0 FEADMM Clc1nsc(NCc2n[nH]cc2Br)c1-c1nn[n-]n1 ZINC000826353999 608184283 /nfs/dbraw/zinc/18/42/83/608184283.db2.gz LXYOOUVNYHIXDG-UHFFFAOYSA-N -1 1 361.616 2.074 20 0 FEADMM CCc1n[nH]c(=O)c(CNc2snc(Cl)c2-c2nnn[n-]2)c1CC ZINC000825740117 608190289 /nfs/dbraw/zinc/19/02/89/608190289.db2.gz NRJBAASVNWPCGO-UHFFFAOYSA-N -1 1 366.838 2.209 20 0 FEADMM CCc1n[nH]c(=O)c(CNc2snc(Cl)c2-c2nn[n-]n2)c1CC ZINC000825740117 608190291 /nfs/dbraw/zinc/19/02/91/608190291.db2.gz NRJBAASVNWPCGO-UHFFFAOYSA-N -1 1 366.838 2.209 20 0 FEADMM C[C@@H](O)CN(Cc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824707782 608191702 /nfs/dbraw/zinc/19/17/02/608191702.db2.gz VWCKUBXYJKLHPT-SECBINFHSA-N -1 1 350.835 2.364 20 0 FEADMM C[C@@H](O)CN(Cc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824707782 608191703 /nfs/dbraw/zinc/19/17/03/608191703.db2.gz VWCKUBXYJKLHPT-SECBINFHSA-N -1 1 350.835 2.364 20 0 FEADMM O=C1C[C@@H](c2cccc(Nc3snc(Cl)c3-c3nnn[n-]3)c2)CN1 ZINC000826478440 608193146 /nfs/dbraw/zinc/19/31/46/608193146.db2.gz BPFGZHAADXNEPZ-MRVPVSSYSA-N -1 1 361.818 2.324 20 0 FEADMM O=C1C[C@@H](c2cccc(Nc3snc(Cl)c3-c3nn[n-]n3)c2)CN1 ZINC000826478440 608193147 /nfs/dbraw/zinc/19/31/47/608193147.db2.gz BPFGZHAADXNEPZ-MRVPVSSYSA-N -1 1 361.818 2.324 20 0 FEADMM Clc1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ccn1 ZINC000826350866 608365614 /nfs/dbraw/zinc/36/56/14/608365614.db2.gz OJKJNPKQDWVXPK-UHFFFAOYSA-N -1 1 372.820 2.107 20 0 FEADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824929752 608385367 /nfs/dbraw/zinc/38/53/67/608385367.db2.gz YMYLNFYUSXAAPG-OLZOCXBDSA-N -1 1 361.450 2.441 20 0 FEADMM Cn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccccc1Cl ZINC000826356602 608393903 /nfs/dbraw/zinc/39/39/03/608393903.db2.gz XXTDELYWAVPFHB-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM Cn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccccc1Cl ZINC000826356602 608393905 /nfs/dbraw/zinc/39/39/05/608393905.db2.gz XXTDELYWAVPFHB-UHFFFAOYSA-N -1 1 371.817 2.257 20 0 FEADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825907926 608408581 /nfs/dbraw/zinc/40/85/81/608408581.db2.gz DFYPTCBOBYUFCL-WMLDXEAASA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825907926 608408582 /nfs/dbraw/zinc/40/85/82/608408582.db2.gz DFYPTCBOBYUFCL-WMLDXEAASA-N -1 1 351.414 2.261 20 0 FEADMM Cc1cc(Br)cc2c1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826256468 608415629 /nfs/dbraw/zinc/41/56/29/608415629.db2.gz LBBVDVUORUEXGM-UHFFFAOYSA-N -1 1 372.230 2.290 20 0 FEADMM Cc1cc(Br)cc2c1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826256468 608415630 /nfs/dbraw/zinc/41/56/30/608415630.db2.gz LBBVDVUORUEXGM-UHFFFAOYSA-N -1 1 372.230 2.290 20 0 FEADMM CCOc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1OC(F)F ZINC000825649337 608431466 /nfs/dbraw/zinc/43/14/66/608431466.db2.gz PHFJWRUBYGYSPY-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM CCOc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1OC(F)F ZINC000825649337 608431468 /nfs/dbraw/zinc/43/14/68/608431468.db2.gz PHFJWRUBYGYSPY-UHFFFAOYSA-N -1 1 363.328 2.269 20 0 FEADMM COc1ccc2c(c1)OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000826212803 608440360 /nfs/dbraw/zinc/44/03/60/608440360.db2.gz BRHAPBAHAOMQQI-MRVPVSSYSA-N -1 1 364.818 2.401 20 0 FEADMM COc1ccc2c(c1)OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000826212803 608440361 /nfs/dbraw/zinc/44/03/61/608440361.db2.gz BRHAPBAHAOMQQI-MRVPVSSYSA-N -1 1 364.818 2.401 20 0 FEADMM Cn1cc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(-c2ccccc2)n1 ZINC000826362283 608476973 /nfs/dbraw/zinc/47/69/73/608476973.db2.gz LTZLYXSHJSSPKW-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM Cn1cc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(-c2ccccc2)n1 ZINC000826362283 608476974 /nfs/dbraw/zinc/47/69/74/608476974.db2.gz LTZLYXSHJSSPKW-UHFFFAOYSA-N -1 1 361.365 2.019 20 0 FEADMM CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825307642 608499747 /nfs/dbraw/zinc/49/97/47/608499747.db2.gz JCDJTTVSWUWPLE-UHFFFAOYSA-N -1 1 370.413 2.319 20 0 FEADMM CC(=O)Nc1cccc(OCCNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC000824005449 608543704 /nfs/dbraw/zinc/54/37/04/608543704.db2.gz SOSCSZXHXHWNAG-UHFFFAOYSA-N -1 1 353.386 2.019 20 0 FEADMM Cc1cccn2cc(CNc3c4ccccc4nnc3-c3nnn[n-]3)nc12 ZINC000826308240 608667562 /nfs/dbraw/zinc/66/75/62/608667562.db2.gz PRIBMQNORFRAEK-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM Cc1cccn2cc(CNc3c4ccccc4nnc3-c3nn[n-]n3)nc12 ZINC000826308240 608667563 /nfs/dbraw/zinc/66/75/63/608667563.db2.gz PRIBMQNORFRAEK-UHFFFAOYSA-N -1 1 357.381 2.378 20 0 FEADMM CC(C)Oc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000824324740 608884403 /nfs/dbraw/zinc/88/44/03/608884403.db2.gz TYYFAILZYJDKBP-UHFFFAOYSA-N -1 1 351.432 2.196 20 0 FEADMM CON(Cc1ccccc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826166400 609142804 /nfs/dbraw/zinc/14/28/04/609142804.db2.gz JBPQTCGTFABNGI-LBPRGKRZSA-N -1 1 370.413 2.467 20 0 FEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1[C@H](C)C1CC1 ZINC000826261849 609245965 /nfs/dbraw/zinc/24/59/65/609245965.db2.gz UZOJRJUHOARUML-LLVKDONJSA-N -1 1 353.386 2.095 20 0 FEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1[C@H](C)C1CC1 ZINC000826261849 609245967 /nfs/dbraw/zinc/24/59/67/609245967.db2.gz UZOJRJUHOARUML-LLVKDONJSA-N -1 1 353.386 2.095 20 0 FEADMM CC(C)CO[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824266830 609286961 /nfs/dbraw/zinc/28/69/61/609286961.db2.gz RCZCLTNZADCYTN-NSHDSACASA-N -1 1 373.392 2.191 20 0 FEADMM Cc1cncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826319098 609287836 /nfs/dbraw/zinc/28/78/36/609287836.db2.gz OHDCZVSHAFKTSW-UHFFFAOYSA-N -1 1 364.344 2.147 20 0 FEADMM C[C@H](C1CC1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824377615 609360165 /nfs/dbraw/zinc/36/01/65/609360165.db2.gz IRKTUXXPEMKYME-SNVBAGLBSA-N -1 1 370.392 2.454 20 0 FEADMM C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC000824915373 609400905 /nfs/dbraw/zinc/40/09/05/609400905.db2.gz DOYAXXAQYXUAMP-MEDUHNTESA-N -1 1 365.434 2.207 20 0 FEADMM C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC000824915373 609400906 /nfs/dbraw/zinc/40/09/06/609400906.db2.gz DOYAXXAQYXUAMP-MEDUHNTESA-N -1 1 365.434 2.207 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000826340657 609401478 /nfs/dbraw/zinc/40/14/78/609401478.db2.gz GQMKHMBYTUZZSI-ZYHUDNBSSA-N -1 1 358.377 2.379 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000826340657 609401479 /nfs/dbraw/zinc/40/14/79/609401479.db2.gz GQMKHMBYTUZZSI-ZYHUDNBSSA-N -1 1 358.377 2.379 20 0 FEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)[C@H]2C ZINC000826212541 609408466 /nfs/dbraw/zinc/40/84/66/609408466.db2.gz UHBXTHWWSQWHPS-NEPJUHHUSA-N -1 1 364.409 2.418 20 0 FEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)[C@H]2C ZINC000826212541 609408467 /nfs/dbraw/zinc/40/84/67/609408467.db2.gz UHBXTHWWSQWHPS-NEPJUHHUSA-N -1 1 364.409 2.418 20 0 FEADMM Cc1onc(CC(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1-c1nnn[n-]1 ZINC000826305286 609470092 /nfs/dbraw/zinc/47/00/92/609470092.db2.gz QVEIUZKOWBMSSJ-UHFFFAOYSA-N -1 1 364.369 2.043 20 0 FEADMM Cc1onc(CC(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1-c1nn[n-]n1 ZINC000826305286 609470094 /nfs/dbraw/zinc/47/00/94/609470094.db2.gz QVEIUZKOWBMSSJ-UHFFFAOYSA-N -1 1 364.369 2.043 20 0 FEADMM COC1(CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)CCC1 ZINC000826143476 609591086 /nfs/dbraw/zinc/59/10/86/609591086.db2.gz BAGDRYICHHUFET-UHFFFAOYSA-N -1 1 374.470 2.160 20 0 FEADMM CCc1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810694063 674557428 /nfs/dbraw/zinc/55/74/28/674557428.db2.gz ZNHLHLZZGRKHGG-GOSISDBHSA-N -1 1 370.490 2.408 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c[nH]1 ZINC000559935767 674560666 /nfs/dbraw/zinc/56/06/66/674560666.db2.gz MOVVOCBEEABJIK-UHFFFAOYSA-N -1 1 360.351 2.096 20 0 FEADMM COCC1(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000811058860 674576187 /nfs/dbraw/zinc/57/61/87/674576187.db2.gz FVMDMGXELMUZMD-UHFFFAOYSA-N -1 1 359.444 2.330 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)no2)C2CCOCC2)s1 ZINC000560324345 674577576 /nfs/dbraw/zinc/57/75/76/674577576.db2.gz VOIBFECBFFFDCZ-ZDUSSCGKSA-N -1 1 357.457 2.194 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nnc(C4CC4)s3)n2)cc1 ZINC000560341573 674578585 /nfs/dbraw/zinc/57/85/85/674578585.db2.gz YZOCTTDQUYMRFJ-UHFFFAOYSA-N -1 1 361.452 2.483 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3nnc(C4CC4)s3)n[n-]2)cc1 ZINC000560341573 674578587 /nfs/dbraw/zinc/57/85/87/674578587.db2.gz YZOCTTDQUYMRFJ-UHFFFAOYSA-N -1 1 361.452 2.483 20 0 FEADMM CSc1nc(CNC(=O)c2csc(C(F)(F)F)n2)cc(=O)[n-]1 ZINC000640657056 677185443 /nfs/dbraw/zinc/18/54/43/677185443.db2.gz ZOCKXWAPDDVMRX-UHFFFAOYSA-N -1 1 350.347 2.309 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc(C(=O)[O-])c1F ZINC000811709038 674621956 /nfs/dbraw/zinc/62/19/56/674621956.db2.gz VIZVLSDQFYXYPB-UHFFFAOYSA-N -1 1 366.326 2.480 20 0 FEADMM Cc1cnc(Br)cc1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000811826220 674631729 /nfs/dbraw/zinc/63/17/29/674631729.db2.gz NVAWNDUGEUNDAX-UHFFFAOYSA-N -1 1 371.260 2.414 20 0 FEADMM Cc1cnc(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000811885048 674635707 /nfs/dbraw/zinc/63/57/07/674635707.db2.gz GLGHGZBDZHRZJF-JTQLQIEISA-N -1 1 364.393 2.052 20 0 FEADMM C[C@H](CC(F)(F)F)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811904261 674637669 /nfs/dbraw/zinc/63/76/69/674637669.db2.gz XCJZEHYZSUOCPG-BDAKNGLRSA-N -1 1 363.302 2.427 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)NCCC2(F)CCC2)C1)C(F)(F)F ZINC000811918087 674639295 /nfs/dbraw/zinc/63/92/95/674639295.db2.gz NDOFXQXUJILCMC-LLVKDONJSA-N -1 1 353.360 2.369 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c(F)cc1F ZINC000644275132 677241025 /nfs/dbraw/zinc/24/10/25/677241025.db2.gz LLYRMQSIGDVDGG-QPUJVOFHSA-N -1 1 359.316 2.397 20 0 FEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1F ZINC000813714563 674773243 /nfs/dbraw/zinc/77/32/43/674773243.db2.gz KJNQELISISRMLA-UHFFFAOYSA-N -1 1 355.309 2.075 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1c(N)noc1C)Oc1cccc(Cl)c1 ZINC000562902930 674820844 /nfs/dbraw/zinc/82/08/44/674820844.db2.gz YOVOMKLNMGYBOD-LLVKDONJSA-N -1 1 359.835 2.355 20 0 FEADMM CCC(Nc1ccnn1C(C)C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814343472 674832623 /nfs/dbraw/zinc/83/26/23/674832623.db2.gz XNZWJFDFLVGKHZ-WYMLVPIESA-N -1 1 363.487 2.439 20 0 FEADMM CCC(Nc1ccc(C)cc1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814345179 674832697 /nfs/dbraw/zinc/83/26/97/674832697.db2.gz MLPJSLWFBKFBJK-FYWRMAATSA-N -1 1 361.467 2.269 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(Cl)cc2C)C(=O)[N-]C1=S ZINC000814348219 674833155 /nfs/dbraw/zinc/83/31/55/674833155.db2.gz UJNNOSLAVLFTJF-JLHYYAGUSA-N -1 1 367.858 2.224 20 0 FEADMM Cn1[n-]c(COC(=O)c2cc(Br)c3ccccc3c2)nc1=O ZINC000814583393 674866355 /nfs/dbraw/zinc/86/63/55/674866355.db2.gz FSYCEZZQFNJAMR-UHFFFAOYSA-N -1 1 362.183 2.381 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)n1 ZINC000564075195 674970498 /nfs/dbraw/zinc/97/04/98/674970498.db2.gz FIIJDIMUNWQFOW-LLVKDONJSA-N -1 1 367.427 2.291 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000564277880 674990389 /nfs/dbraw/zinc/99/03/89/674990389.db2.gz GRJRTZFYZLIMPV-UHFFFAOYSA-N -1 1 350.400 2.050 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000564333212 674997274 /nfs/dbraw/zinc/99/72/74/674997274.db2.gz HMIQDPIFDCUVDZ-UHFFFAOYSA-N -1 1 358.832 2.307 20 0 FEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N(C)C ZINC000816195150 675032841 /nfs/dbraw/zinc/03/28/41/675032841.db2.gz FUBUXRYWUXKWFD-AWEZNQCLSA-N -1 1 367.496 2.201 20 0 FEADMM CCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1cccc(C)c1 ZINC000564550205 675034702 /nfs/dbraw/zinc/03/47/02/675034702.db2.gz JPVKZFQMPJVPDB-UHFFFAOYSA-N -1 1 351.428 2.048 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(Cl)cc2F)C(=O)[N-]C1=S ZINC000009769852 669984449 /nfs/dbraw/zinc/98/44/49/669984449.db2.gz ZMKNZRIZGXBNBZ-WQLSENKSSA-N -1 1 371.821 2.055 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000013468434 670006875 /nfs/dbraw/zinc/00/68/75/670006875.db2.gz DOEWYITUAKEWNY-UHFFFAOYSA-N -1 1 355.412 2.159 20 0 FEADMM CO[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000816670042 675071980 /nfs/dbraw/zinc/07/19/80/675071980.db2.gz KHXHUQKUHDVUEU-YHQUGGNUSA-N -1 1 364.408 2.496 20 0 FEADMM CO[C@H]1CCCC[C@@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000816670040 675071988 /nfs/dbraw/zinc/07/19/88/675071988.db2.gz KHXHUQKUHDVUEU-PEDHHIEDSA-N -1 1 364.408 2.496 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc2o1 ZINC000023873759 670051270 /nfs/dbraw/zinc/05/12/70/670051270.db2.gz MAAIFGUYXMDVDM-UHFFFAOYSA-N -1 1 359.359 2.365 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000024226635 670053536 /nfs/dbraw/zinc/05/35/36/670053536.db2.gz BKQWFQILICXJQU-UHFFFAOYSA-N -1 1 374.871 2.391 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2ccccc2Cl)cc1 ZINC000028699289 670092388 /nfs/dbraw/zinc/09/23/88/670092388.db2.gz RUNAFEZZJOZUBL-UHFFFAOYSA-N -1 1 361.781 2.391 20 0 FEADMM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1ccc(F)c(F)c1F ZINC000030361527 670108654 /nfs/dbraw/zinc/10/86/54/670108654.db2.gz GZVFFTCDKWEBAO-UHFFFAOYSA-N -1 1 368.340 2.163 20 0 FEADMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000044256923 670188192 /nfs/dbraw/zinc/18/81/92/670188192.db2.gz GRNYJBAXWCVRKC-UHFFFAOYSA-N -1 1 359.363 2.084 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc(F)c(Cl)c1 ZINC000044895093 670196794 /nfs/dbraw/zinc/19/67/94/670196794.db2.gz ARFGRQZSIPTNEB-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(C(F)F)s2)c(Cl)cn1 ZINC000816902863 675085055 /nfs/dbraw/zinc/08/50/55/675085055.db2.gz 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CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2CCC(C)(C)O2)[n-]1 ZINC000576712144 671389027 /nfs/dbraw/zinc/38/90/27/671389027.db2.gz DDAUUMYXRKYGHW-NWDGAFQWSA-N -1 1 352.435 2.142 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2CCC(C)(C)O2)n1 ZINC000576712144 671389030 /nfs/dbraw/zinc/38/90/30/671389030.db2.gz DDAUUMYXRKYGHW-NWDGAFQWSA-N -1 1 352.435 2.142 20 0 FEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)no1 ZINC000576866071 671400381 /nfs/dbraw/zinc/40/03/81/671400381.db2.gz FMSVFKIWUONTMD-JTQLQIEISA-N -1 1 372.447 2.072 20 0 FEADMM Cc1nnc2n1C[C@H](C[N-]S(=O)(=O)c1cc3cc(F)ccc3o1)CC2 ZINC000577349933 671589480 /nfs/dbraw/zinc/58/94/80/671589480.db2.gz CISAGYKJRFLPNS-NSHDSACASA-N -1 1 364.402 2.013 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)C1(Cc2ccccc2Br)CC1 ZINC000577518959 671601991 /nfs/dbraw/zinc/60/19/91/671601991.db2.gz JBPXDJAUHPYFMF-UHFFFAOYSA-N -1 1 362.231 2.090 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c1 ZINC000578072632 671638768 /nfs/dbraw/zinc/63/87/68/671638768.db2.gz JJDQAUUVQSSYPV-KBPBESRZSA-N -1 1 352.456 2.455 20 0 FEADMM COc1cccc(OC)c1OCCCCN1CCO[C@H](CC(=O)[O-])C1 ZINC000579132940 671714790 /nfs/dbraw/zinc/71/47/90/671714790.db2.gz RGHXBMGITXNHDQ-CQSZACIVSA-N -1 1 353.415 2.038 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)c(F)c1 ZINC000579346311 671728947 /nfs/dbraw/zinc/72/89/47/671728947.db2.gz QWTSKJKRRJJRGF-UHFFFAOYSA-N -1 1 357.260 2.154 20 0 FEADMM CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000581081572 671861916 /nfs/dbraw/zinc/86/19/16/671861916.db2.gz BRABODPIHLBMOP-CYBMUJFWSA-N -1 1 367.471 2.089 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000119566931 671902537 /nfs/dbraw/zinc/90/25/37/671902537.db2.gz ZNSLMMUXRUCKKY-JGVFFNPUSA-N -1 1 363.340 2.455 20 0 FEADMM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000610237719 675960215 /nfs/dbraw/zinc/96/02/15/675960215.db2.gz DNGZWMRQDKUZAB-UHFFFAOYSA-N -1 1 356.375 2.070 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000582220269 671979701 /nfs/dbraw/zinc/97/97/01/671979701.db2.gz FMHVRYIUODQJHK-CQSZACIVSA-N -1 1 360.435 2.490 20 0 FEADMM COc1ccccc1-c1nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cs1 ZINC000124554750 671999280 /nfs/dbraw/zinc/99/92/80/671999280.db2.gz DMUQWVZKTNEXBE-SNVBAGLBSA-N -1 1 358.427 2.208 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1cccc[n+]1[O-])c1nc(C)cs1 ZINC000126922677 672030138 /nfs/dbraw/zinc/03/01/38/672030138.db2.gz KQUUJISAIBBVSO-CYBMUJFWSA-N -1 1 352.437 2.093 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CC12CCSCC2 ZINC000582779158 672033031 /nfs/dbraw/zinc/03/30/31/672033031.db2.gz CVCVSGZDCFFRML-ZDUSSCGKSA-N -1 1 360.483 2.244 20 0 FEADMM Cc1cc(Br)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)s1 ZINC000583307162 672082776 /nfs/dbraw/zinc/08/27/76/672082776.db2.gz UZCVQNMVDGXGDO-QMMMGPOBSA-N -1 1 356.249 2.352 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)Cc1cccc(Br)c1 ZINC000583592080 672109706 /nfs/dbraw/zinc/10/97/06/672109706.db2.gz QYUJTEODPACRFE-QMMMGPOBSA-N -1 1 374.260 2.237 20 0 FEADMM CC(C)CN(C(=O)Cc1sc(N)nc1[O-])[C@H]1CCCc2cccnc21 ZINC000133786555 672115289 /nfs/dbraw/zinc/11/52/89/672115289.db2.gz SLUAVTSEUZSPGN-KBPBESRZSA-N -1 1 360.483 2.290 20 0 FEADMM CC[C@@](C)([N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1)C(F)(F)F ZINC000583788989 672126305 /nfs/dbraw/zinc/12/63/05/672126305.db2.gz RVIFUVYIPNLHCM-GFCCVEGCSA-N -1 1 354.350 2.186 20 0 FEADMM O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000135481255 672133765 /nfs/dbraw/zinc/13/37/65/672133765.db2.gz VWACYCDWJPFNDP-CQSZACIVSA-N -1 1 361.760 2.179 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc(Cl)c(F)c1 ZINC000583962486 672142506 /nfs/dbraw/zinc/14/25/06/672142506.db2.gz URFJBYKIZSSNJU-GFCCVEGCSA-N -1 1 367.826 2.038 20 0 FEADMM O=C1NCc2c1cccc2[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000584015789 672147806 /nfs/dbraw/zinc/14/78/06/672147806.db2.gz XHIUSOYXAUXTSU-UHFFFAOYSA-N -1 1 372.324 2.471 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](Sc3ncc(C)c(=O)[n-]3)C2=O)c1 ZINC000584064894 672152669 /nfs/dbraw/zinc/15/26/69/672152669.db2.gz QFUYEIYACNMFMM-AWEZNQCLSA-N -1 1 361.423 2.405 20 0 FEADMM O=C1NCCN(Cc2ncccc2[O-])[C@H]1c1ccc(Br)cc1 ZINC000584139880 672159486 /nfs/dbraw/zinc/15/94/86/672159486.db2.gz IKQVSNJXUJMHCL-HNNXBMFYSA-N -1 1 362.227 2.223 20 0 FEADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1sc(N)nc1[O-] ZINC000152972539 672191370 /nfs/dbraw/zinc/19/13/70/672191370.db2.gz NOQZJUZXAYBCKU-UWVGGRQHSA-N -1 1 354.501 2.441 20 0 FEADMM Cc1nc(C)c(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c(=O)[nH]1 ZINC000153187227 672194209 /nfs/dbraw/zinc/19/42/09/672194209.db2.gz AJGZWGCRJWCLNF-UHFFFAOYSA-N -1 1 355.316 2.196 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2CC(C(F)(F)F)C2)o1 ZINC000584742601 672211703 /nfs/dbraw/zinc/21/17/03/672211703.db2.gz LDWRFDCXDPYPDC-UHFFFAOYSA-N -1 1 368.377 2.427 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccccc1F ZINC000610703073 675990573 /nfs/dbraw/zinc/99/05/73/675990573.db2.gz ZWJCUVMBFSYPCX-OAHLLOKOSA-N -1 1 353.371 2.027 20 0 FEADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)CCC(F)(F)F)CCc2ccccc21 ZINC000585736722 672228379 /nfs/dbraw/zinc/22/83/79/672228379.db2.gz ADIFTIKNHPKZLQ-CQSZACIVSA-N -1 1 365.373 2.263 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(-c3ccccc3)o2)co1 ZINC000163616186 672310197 /nfs/dbraw/zinc/31/01/97/672310197.db2.gz DGMQWOMOKRJZNG-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178750418 672394735 /nfs/dbraw/zinc/39/47/35/672394735.db2.gz DKJJXPRAJRPIGL-APPZFPTMSA-N -1 1 371.684 2.183 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2C3CC4CC(C3)CC2C4)c1 ZINC000179538146 672402871 /nfs/dbraw/zinc/40/28/71/672402871.db2.gz LLPFHVVQAAOPAF-UHFFFAOYSA-N -1 1 350.440 2.050 20 0 FEADMM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000181728334 672429915 /nfs/dbraw/zinc/42/99/15/672429915.db2.gz FPDPBHSAKNUIDZ-UHFFFAOYSA-N -1 1 364.255 2.454 20 0 FEADMM O=S(=O)([N-]c1ccc2nn[nH]c2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000181728334 672429917 /nfs/dbraw/zinc/42/99/17/672429917.db2.gz FPDPBHSAKNUIDZ-UHFFFAOYSA-N -1 1 364.255 2.454 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc4c(s3)CCCCCC4)nc2n1 ZINC000588006660 672444836 /nfs/dbraw/zinc/44/48/36/672444836.db2.gz PVZNLHRWFJHZPN-UHFFFAOYSA-N -1 1 357.439 2.121 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)c(F)c1 ZINC000678841298 672447521 /nfs/dbraw/zinc/44/75/21/672447521.db2.gz SIKCKHVCHCMPEX-LLVKDONJSA-N -1 1 363.426 2.441 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n[nH]1 ZINC000182861400 672455049 /nfs/dbraw/zinc/45/50/49/672455049.db2.gz OUFMEKXVMFKRRP-UHFFFAOYSA-N -1 1 359.720 2.439 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000588673863 672470326 /nfs/dbraw/zinc/47/03/26/672470326.db2.gz CINYLTSROMWFGX-LLVKDONJSA-N -1 1 371.361 2.092 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC2(C1)CCCOC2 ZINC000588798335 672482186 /nfs/dbraw/zinc/48/21/86/672482186.db2.gz LJJWIHOIUOFCMN-UHFFFAOYSA-N -1 1 373.190 2.249 20 0 FEADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000588834010 672484287 /nfs/dbraw/zinc/48/42/87/672484287.db2.gz ZBOKCLOHRTUSFN-UHFFFAOYSA-N -1 1 357.391 2.310 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)c(C)c1 ZINC000184254569 672494714 /nfs/dbraw/zinc/49/47/14/672494714.db2.gz DFPCQNGUCJYGBN-AWEZNQCLSA-N -1 1 372.805 2.375 20 0 FEADMM CCN1C[C@H](C(=O)[N-]OCc2ccc(F)cc2Br)CC1=O ZINC000188909403 672602012 /nfs/dbraw/zinc/60/20/12/672602012.db2.gz HFCPHLFSRKNXPR-SNVBAGLBSA-N -1 1 359.195 2.004 20 0 FEADMM COC(=O)c1csc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000611443537 676037326 /nfs/dbraw/zinc/03/73/26/676037326.db2.gz BJJOHYXFCNZGMV-UHFFFAOYSA-N -1 1 361.422 2.404 20 0 FEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccc1NS(C)(=O)=O ZINC000681017549 672621695 /nfs/dbraw/zinc/62/16/95/672621695.db2.gz FRSQBCKBMRMWTD-SNVBAGLBSA-N -1 1 352.387 2.394 20 0 FEADMM CCOC(=O)CNC(=O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191448757 672667835 /nfs/dbraw/zinc/66/78/35/672667835.db2.gz CLSQJZKLEXEWMI-UHFFFAOYSA-N -1 1 372.824 2.076 20 0 FEADMM CC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192696054 672698815 /nfs/dbraw/zinc/69/88/15/672698815.db2.gz PPNXSMHCIDMOCQ-NTCAYCPXSA-N -1 1 360.483 2.338 20 0 FEADMM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]NC(=O)C(C)(C)O ZINC000192919998 672706577 /nfs/dbraw/zinc/70/65/77/672706577.db2.gz GDHHPVRSGZNPJV-UHFFFAOYSA-N -1 1 353.831 2.304 20 0 FEADMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)NC(C1CC1)C1CC1 ZINC000193015584 672709779 /nfs/dbraw/zinc/70/97/79/672709779.db2.gz OMXNFMIBPZBCEF-UHFFFAOYSA-N -1 1 363.483 2.461 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1cccc(C)c1C ZINC000592046609 672741303 /nfs/dbraw/zinc/74/13/03/672741303.db2.gz BWBJOXSXLOOICG-IAGOWNOFSA-N -1 1 371.499 2.498 20 0 FEADMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000592067941 672745987 /nfs/dbraw/zinc/74/59/87/672745987.db2.gz AZOJFIWNLDUPPO-GXSJLCMTSA-N -1 1 368.377 2.357 20 0 FEADMM Cn1c(Cl)cnc1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195114264 672776063 /nfs/dbraw/zinc/77/60/63/672776063.db2.gz FILXGRZUTWMYMG-UHFFFAOYSA-N -1 1 372.237 2.486 20 0 FEADMM Cn1c(Cl)cnc1CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195114264 672776066 /nfs/dbraw/zinc/77/60/66/672776066.db2.gz FILXGRZUTWMYMG-UHFFFAOYSA-N -1 1 372.237 2.486 20 0 FEADMM O=S(=O)([N-]CCOC[C@@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000682724528 672786714 /nfs/dbraw/zinc/78/67/14/672786714.db2.gz DQIDKPSYDZWCJA-SECBINFHSA-N -1 1 372.245 2.464 20 0 FEADMM CC(C)(C)OC(=O)CN(C(=O)c1ccc([O-])c(F)c1)C1CCOCC1 ZINC000592807346 672840986 /nfs/dbraw/zinc/84/09/86/672840986.db2.gz GDTYCDHVTLCFRI-UHFFFAOYSA-N -1 1 353.390 2.494 20 0 FEADMM O=C(c1ncc2ccccc2c1[O-])N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000612106623 676068913 /nfs/dbraw/zinc/06/89/13/676068913.db2.gz HAXUMRLJYPWCNB-CABCVRRESA-N -1 1 360.435 2.122 20 0 FEADMM CC1(C)CC[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)O1 ZINC000683872030 672880652 /nfs/dbraw/zinc/88/06/52/672880652.db2.gz NROIFRPYCUIKLD-VXGBXAGGSA-N -1 1 353.785 2.155 20 0 FEADMM O=C(/C=C\c1ccc(I)o1)[N-]O[C@@H]1CCCCO1 ZINC000255163761 672885974 /nfs/dbraw/zinc/88/59/74/672885974.db2.gz MAAKKOQONWMLQN-SMYYYNMVSA-N -1 1 363.151 2.472 20 0 FEADMM C[C@H](CSCCNS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000593275915 672900939 /nfs/dbraw/zinc/90/09/39/672900939.db2.gz ZQPQOMVVGRJZNC-SSDOTTSWSA-N -1 1 373.830 2.350 20 0 FEADMM COCC1(CS(=O)(=O)[N-][C@H](C(=O)OC)c2ccc(F)c(C)c2)CCC1 ZINC000593578958 672949826 /nfs/dbraw/zinc/94/98/26/672949826.db2.gz RFRBGTHFEZCHDW-HNNXBMFYSA-N -1 1 373.446 2.084 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)c(Br)n1C ZINC000311498008 673027211 /nfs/dbraw/zinc/02/72/11/673027211.db2.gz KYYNQBNKAJDKGX-PSASIEDQSA-N -1 1 350.282 2.348 20 0 FEADMM C[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000319813138 673037508 /nfs/dbraw/zinc/03/75/08/673037508.db2.gz KVARYRXPQHGEAX-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM CN(C)CCN(C1CCCC1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000324657987 673047207 /nfs/dbraw/zinc/04/72/07/673047207.db2.gz ZKBIULANNKEUJN-UHFFFAOYSA-N -1 1 354.472 2.021 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NCCN2CCCCC2)c(C)c1CC(=O)[O-] ZINC000326815685 673055026 /nfs/dbraw/zinc/05/50/26/673055026.db2.gz GPJDZKLZKIYKJR-UHFFFAOYSA-N -1 1 368.499 2.003 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C2(CC(C)C)CC2)c(Br)n1C ZINC000701466262 673057205 /nfs/dbraw/zinc/05/72/05/673057205.db2.gz BNXSPKLZJYLORH-UHFFFAOYSA-N -1 1 350.282 2.348 20 0 FEADMM CCc1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1C(=O)[O-] ZINC000327372093 673059799 /nfs/dbraw/zinc/05/97/99/673059799.db2.gz LYZSVSIRCWKRFE-HNNXBMFYSA-N -1 1 366.483 2.196 20 0 FEADMM CSc1nc(C)c(CCC(=O)OCCNC(=O)OC(C)(C)C)c(=O)[n-]1 ZINC000726339257 673117288 /nfs/dbraw/zinc/11/72/88/673117288.db2.gz XIWXICNSFQIWFA-UHFFFAOYSA-N -1 1 371.459 2.213 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc(F)cc1)c1cccs1 ZINC000594756169 673130864 /nfs/dbraw/zinc/13/08/64/673130864.db2.gz YRXWDKGYRDGXPB-CQSZACIVSA-N -1 1 357.428 2.263 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc(F)cc1)c1cccs1 ZINC000594756168 673130987 /nfs/dbraw/zinc/13/09/87/673130987.db2.gz YRXWDKGYRDGXPB-AWEZNQCLSA-N -1 1 357.428 2.263 20 0 FEADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Cl)cc1Cl ZINC000726865860 673144170 /nfs/dbraw/zinc/14/41/70/673144170.db2.gz IXPXVEHFALJRPB-VIFPVBQESA-N -1 1 356.209 2.111 20 0 FEADMM CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000613022991 676107040 /nfs/dbraw/zinc/10/70/40/676107040.db2.gz IPNDBWPQTRKWBE-GFCCVEGCSA-N -1 1 359.806 2.094 20 0 FEADMM Cc1sc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1C(=O)[O-] ZINC000390531733 673159994 /nfs/dbraw/zinc/15/99/94/673159994.db2.gz YXTCOCDSEKXTJP-HNNXBMFYSA-N -1 1 361.467 2.853 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCSc2ccccc2)cc1C ZINC000595301189 673218913 /nfs/dbraw/zinc/21/89/13/673218913.db2.gz YMCDIWURIVHSEV-UHFFFAOYSA-N -1 1 355.437 2.445 20 0 FEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)C12CCC2 ZINC000595314775 673221951 /nfs/dbraw/zinc/22/19/51/673221951.db2.gz KEVOHWRRDZJPFQ-NEPJUHHUSA-N -1 1 357.428 2.001 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)cc1C ZINC000595325289 673225213 /nfs/dbraw/zinc/22/52/13/673225213.db2.gz KEXSRYKBHMDYPF-VIFPVBQESA-N -1 1 358.803 2.463 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)cc1C ZINC000595339585 673227485 /nfs/dbraw/zinc/22/74/85/673227485.db2.gz ZBNLZMSZIXZKNX-WCQYABFASA-N -1 1 353.371 2.348 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000595342719 673227696 /nfs/dbraw/zinc/22/76/96/673227696.db2.gz PYSBTFQMYICTBC-OCCSQVGLSA-N -1 1 357.428 2.001 20 0 FEADMM COC(=O)c1ncccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1C ZINC000595364657 673233596 /nfs/dbraw/zinc/23/35/96/673233596.db2.gz IQUGIRWOADVRRM-UHFFFAOYSA-N -1 1 370.377 2.247 20 0 FEADMM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000595403945 673243999 /nfs/dbraw/zinc/24/39/99/673243999.db2.gz 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CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@](C)(CO)Cc1ccccc1 ZINC000481089822 673320979 /nfs/dbraw/zinc/32/09/79/673320979.db2.gz HEUIEXYVJOXJHZ-SFHVURJKSA-N -1 1 361.467 2.184 20 0 FEADMM CCCN(Cc1cn(CC(=O)[O-])nn1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000514791381 673347582 /nfs/dbraw/zinc/34/75/82/673347582.db2.gz QBDOOWXALGOARF-CVEARBPZSA-N -1 1 350.463 2.313 20 0 FEADMM CSCc1c2ccccc2oc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090453 673353253 /nfs/dbraw/zinc/35/32/53/673353253.db2.gz WVHUCTGEADRXCQ-CYBMUJFWSA-N -1 1 359.411 2.023 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccccc2)c[nH]1 ZINC000536190980 673363435 /nfs/dbraw/zinc/36/34/35/673363435.db2.gz GZJXLCQGQGDTIA-UHFFFAOYSA-N -1 1 360.395 2.301 20 0 FEADMM CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)C1 ZINC000537414607 673388491 /nfs/dbraw/zinc/38/84/91/673388491.db2.gz PDGUFENSVIUIER-STQMWFEESA-N -1 1 367.471 2.081 20 0 FEADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccccc1SC(F)(F)F ZINC000733143695 673400190 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COC(=O)c1cc(S(=O)(=O)[N-]C(C)C)c(F)cc1Br ZINC000735078129 673480803 /nfs/dbraw/zinc/48/08/03/673480803.db2.gz FCRDIVIKUKUNHZ-UHFFFAOYSA-N -1 1 354.197 2.062 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cccc3c2C(=O)NC3)c(=O)[n-]1 ZINC000539517210 673493980 /nfs/dbraw/zinc/49/39/80/673493980.db2.gz PINNLILHQGDQSP-UHFFFAOYSA-N -1 1 358.423 2.027 20 0 FEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)on1 ZINC000539854227 673509947 /nfs/dbraw/zinc/50/99/47/673509947.db2.gz ODJLKIIMWXVCQD-UHFFFAOYSA-N -1 1 367.427 2.238 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N(C)c2ccc(OC)c(OC)c2)c1 ZINC000540498367 673543456 /nfs/dbraw/zinc/54/34/56/673543456.db2.gz XYEAOOOVLCODPW-UHFFFAOYSA-N -1 1 353.396 2.243 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1OCCO ZINC000542052742 673560648 /nfs/dbraw/zinc/56/06/48/673560648.db2.gz ZWPXVPBREQQQHV-UHFFFAOYSA-N -1 1 364.379 2.014 20 0 FEADMM O=C(c1ccc(SC(F)(F)F)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738271936 673614459 /nfs/dbraw/zinc/61/44/59/673614459.db2.gz 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CCOC(=O)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740922880 673661401 /nfs/dbraw/zinc/66/14/01/673661401.db2.gz AZAAVPOXJLJRTK-UHFFFAOYSA-N -1 1 352.387 2.374 20 0 FEADMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000543699098 673664062 /nfs/dbraw/zinc/66/40/62/673664062.db2.gz BEFWHRUHLJHOFA-UHFFFAOYSA-N -1 1 366.208 2.387 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](OC)C1 ZINC000599511145 673686595 /nfs/dbraw/zinc/68/65/95/673686595.db2.gz DITKKWWEYZREEV-KYZUINATSA-N -1 1 368.238 2.236 20 0 FEADMM Cn1[n-]c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)nc1=O ZINC000544450507 673712688 /nfs/dbraw/zinc/71/26/88/673712688.db2.gz BXJVHXOLEWFRLK-SNVBAGLBSA-N -1 1 352.263 2.103 20 0 FEADMM COc1ncccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000544481144 673714318 /nfs/dbraw/zinc/71/43/18/673714318.db2.gz HMBZENRDDLGNKW-SECBINFHSA-N -1 1 366.424 2.241 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2)c1nc(C(C)(C)C)no1 ZINC000742346237 673724808 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O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(I)ccc1[O-] ZINC000600521693 673776247 /nfs/dbraw/zinc/77/62/47/673776247.db2.gz LVRQZBMDERZFHR-GXFFZTMASA-N -1 1 373.190 2.294 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1ccccc1 ZINC000744564293 673801180 /nfs/dbraw/zinc/80/11/80/673801180.db2.gz BUTZMMPSEFDGJQ-UHFFFAOYSA-N -1 1 362.407 2.244 20 0 FEADMM CCCCCNC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744575260 673802202 /nfs/dbraw/zinc/80/22/02/673802202.db2.gz KGAKZQNBHRBJDZ-ZDUSSCGKSA-N -1 1 370.471 2.300 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2Cc3ccccc3C2)o1 ZINC000546535589 673802343 /nfs/dbraw/zinc/80/23/43/673802343.db2.gz SWTTYAMLKXQISV-UHFFFAOYSA-N -1 1 362.451 2.254 20 0 FEADMM CCc1cnc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000744718124 673808370 /nfs/dbraw/zinc/80/83/70/673808370.db2.gz BGAJBJHBVQZZFH-UHFFFAOYSA-N -1 1 356.400 2.264 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCc1ccc2c(c1)CCO2 ZINC000744795833 673811536 /nfs/dbraw/zinc/81/15/36/673811536.db2.gz 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N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000547570476 673865456 /nfs/dbraw/zinc/86/54/56/673865456.db2.gz WFRYIMZJYRXHGB-ZDUSSCGKSA-N -1 1 370.308 2.080 20 0 FEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CC1CCOCC1 ZINC000547609381 673873109 /nfs/dbraw/zinc/87/31/09/673873109.db2.gz VPJXIEZLQFVFMR-UHFFFAOYSA-N -1 1 361.391 2.091 20 0 FEADMM CC(C)=CCSC[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000547610155 673873580 /nfs/dbraw/zinc/87/35/80/673873580.db2.gz BYLIBVYYDOICKR-GFCCVEGCSA-N -1 1 365.423 2.396 20 0 FEADMM CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)CC(C)C ZINC000746402959 673876526 /nfs/dbraw/zinc/87/65/26/673876526.db2.gz JCQJFMVCEBLZSE-GFCCVEGCSA-N -1 1 363.505 2.199 20 0 FEADMM Cc1ccc(C[C@@H](CNS(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000548547530 673969410 /nfs/dbraw/zinc/96/94/10/673969410.db2.gz FAHFPVNWZCJBSP-ZDUSSCGKSA-N -1 1 369.389 2.495 20 0 FEADMM O=C(c1ccc(Cl)cc1[O-])N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000615099154 676203222 /nfs/dbraw/zinc/20/32/22/676203222.db2.gz WHXOVPSWALHPAB-AWEZNQCLSA-N -1 1 370.902 2.326 20 0 FEADMM CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000566351319 675207182 /nfs/dbraw/zinc/20/71/82/675207182.db2.gz UCXIOWACOUSUED-UHFFFAOYSA-N -1 1 363.391 2.291 20 0 FEADMM CCNC(=O)N1CC[C@@H](NC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000566384474 675209748 /nfs/dbraw/zinc/20/97/48/675209748.db2.gz GBOGQAJPUKSLTG-LLVKDONJSA-N -1 1 362.817 2.127 20 0 FEADMM COc1cc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc(Cl)c1[O-] ZINC000615479533 676216610 /nfs/dbraw/zinc/21/66/10/676216610.db2.gz LMDQRGAAERYGGM-ZDUSSCGKSA-N -1 1 371.817 2.237 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@H](C)S(C)(=O)=O)c1 ZINC000819488999 675294237 /nfs/dbraw/zinc/29/42/37/675294237.db2.gz NTWKKJLXGSFRPW-SNVBAGLBSA-N -1 1 352.378 2.019 20 0 FEADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000567520181 675299699 /nfs/dbraw/zinc/29/96/99/675299699.db2.gz CIWXRAHODVLPLI-SECBINFHSA-N -1 1 370.377 2.070 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(O)CCc3ccccc32)c(F)c1 ZINC000819877857 675318032 /nfs/dbraw/zinc/31/80/32/675318032.db2.gz FPXNUJOQAVRWNB-QGZVFWFLSA-N -1 1 353.390 2.386 20 0 FEADMM CC(C)CCC[C@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820072295 675334778 /nfs/dbraw/zinc/33/47/78/675334778.db2.gz FAFCZAGQTJEZAB-NSHDSACASA-N -1 1 365.459 2.416 20 0 FEADMM CC(C)CCC[C@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820072295 675334780 /nfs/dbraw/zinc/33/47/80/675334780.db2.gz FAFCZAGQTJEZAB-NSHDSACASA-N -1 1 365.459 2.416 20 0 FEADMM O=C(NCc1n[nH]c(C2CC2)n1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000615669229 676223646 /nfs/dbraw/zinc/22/36/46/676223646.db2.gz LDOQVVIIXONQHK-UHFFFAOYSA-N -1 1 358.789 2.157 20 0 FEADMM COc1cccc(S([O-])=CC(=O)OC2CCC3(CC2)OCCO3)c1 ZINC000820416777 675361426 /nfs/dbraw/zinc/36/14/26/675361426.db2.gz VPRORYPLJXPWLZ-DEOSSOPVSA-N -1 1 354.424 2.032 20 0 FEADMM CO[C@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@@H](C(=O)[O-])C1 ZINC000568285074 675363963 /nfs/dbraw/zinc/36/39/63/675363963.db2.gz XPKWTFLQCHHSHS-ZUZCIYMTSA-N -1 1 363.801 2.434 20 0 FEADMM CC1CCC(N(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820689684 675379012 /nfs/dbraw/zinc/37/90/12/675379012.db2.gz BDUHBFWBTGYNCS-UHFFFAOYSA-N -1 1 363.443 2.122 20 0 FEADMM CC1CCC(N(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820689684 675379014 /nfs/dbraw/zinc/37/90/14/675379014.db2.gz BDUHBFWBTGYNCS-UHFFFAOYSA-N -1 1 363.443 2.122 20 0 FEADMM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1F ZINC000568698415 675392712 /nfs/dbraw/zinc/39/27/12/675392712.db2.gz KJMOLYULAMIUQJ-YOEHRIQHSA-N -1 1 353.390 2.409 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3cccnc32)C1)C(F)(F)F ZINC000820889931 675397413 /nfs/dbraw/zinc/39/74/13/675397413.db2.gz OWUFHKOJNRLVRK-WCQYABFASA-N -1 1 355.360 2.029 20 0 FEADMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC000568819409 675402792 /nfs/dbraw/zinc/40/27/92/675402792.db2.gz HTMYMNGAZCQRSN-YOEHRIQHSA-N -1 1 353.440 2.277 20 0 FEADMM O=C1NCCc2c([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cccc21 ZINC000568852986 675405431 /nfs/dbraw/zinc/40/54/31/675405431.db2.gz OUULGNLUZDDKEU-UHFFFAOYSA-N -1 1 358.419 2.098 20 0 FEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@](O)(C(F)F)C3)c2)o1 ZINC000821337482 675428241 /nfs/dbraw/zinc/42/82/41/675428241.db2.gz GGUMTABWPMDMFE-QGZVFWFLSA-N -1 1 351.305 2.307 20 0 FEADMM CCc1noc(COCC(=O)Nc2cccc([O-])c2Br)n1 ZINC000821374750 675430982 /nfs/dbraw/zinc/43/09/82/675430982.db2.gz IAEDCGQGUHDVHV-UHFFFAOYSA-N -1 1 356.176 2.255 20 0 FEADMM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cc2[nH]cnc2cc1F ZINC000821628066 675444324 /nfs/dbraw/zinc/44/43/24/675444324.db2.gz YTWAHMHZNPSILX-UHFFFAOYSA-N -1 1 369.324 2.240 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(Cc2cn[nH]c2)CC1 ZINC000823025652 675523982 /nfs/dbraw/zinc/52/39/82/675523982.db2.gz SWZXWLAYVGOWNI-UHFFFAOYSA-N -1 1 354.332 2.092 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000824345932 675596729 /nfs/dbraw/zinc/59/67/29/675596729.db2.gz OYQKIRGTUAFVKG-ZRJCITRHSA-N -1 1 362.392 2.392 20 0 FEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000824367082 675598291 /nfs/dbraw/zinc/59/82/91/675598291.db2.gz IJPQBUGMAUCBMU-CQSZACIVSA-N -1 1 361.467 2.443 20 0 FEADMM CC(C)(C)OCCC[N-]S(=O)(=O)c1ncccc1Br ZINC000657134086 677958019 /nfs/dbraw/zinc/95/80/19/677958019.db2.gz JYRDUSKBRVFUNW-UHFFFAOYSA-N -1 1 351.266 2.328 20 0 FEADMM CCOC(=O)c1cnn(Cc2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000825570111 675659216 /nfs/dbraw/zinc/65/92/16/675659216.db2.gz FRGCQBRZQYYPDW-UHFFFAOYSA-N -1 1 350.741 2.081 20 0 FEADMM CCOc1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825615602 675661024 /nfs/dbraw/zinc/66/10/24/675661024.db2.gz CBSXPWMTEQDNRE-UHFFFAOYSA-N -1 1 362.777 2.396 20 0 FEADMM CCOc1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825615602 675661028 /nfs/dbraw/zinc/66/10/28/675661028.db2.gz CBSXPWMTEQDNRE-UHFFFAOYSA-N -1 1 362.777 2.396 20 0 FEADMM CSc1cc(C)ccc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826230425 675685006 /nfs/dbraw/zinc/68/50/06/675685006.db2.gz STOWRSSHLBDLHM-UHFFFAOYSA-N -1 1 358.427 2.052 20 0 FEADMM CSc1cc(C)ccc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826230425 675685008 /nfs/dbraw/zinc/68/50/08/675685008.db2.gz STOWRSSHLBDLHM-UHFFFAOYSA-N -1 1 358.427 2.052 20 0 FEADMM CC(C)[C@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000826686802 675700536 /nfs/dbraw/zinc/70/05/36/675700536.db2.gz UWNLXZBDAXLNRL-YIYPIFLZSA-N -1 1 364.408 2.353 20 0 FEADMM O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000826870450 675711727 /nfs/dbraw/zinc/71/17/27/675711727.db2.gz PPWNKJYDKMVFET-LLVKDONJSA-N -1 1 374.857 2.075 20 0 FEADMM CSCC[C@H](NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1nn[n-]n1 ZINC000826929379 675716400 /nfs/dbraw/zinc/71/64/00/675716400.db2.gz XRQODFUUOARFCU-UTLUCORTSA-N -1 1 367.397 2.000 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)c1Cl ZINC000827897590 675785987 /nfs/dbraw/zinc/78/59/87/675785987.db2.gz YWPDRASRHPMBIF-JTQLQIEISA-N -1 1 373.887 2.295 20 0 FEADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000827943773 675788209 /nfs/dbraw/zinc/78/82/09/675788209.db2.gz NUVGIYQZOBFXQH-OSARJHGOSA-N -1 1 362.857 2.113 20 0 FEADMM C[C@@H](c1nc(N)nc(Cl)n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000828114045 675799779 /nfs/dbraw/zinc/79/97/79/675799779.db2.gz VLSVLCATCQETQY-JTQLQIEISA-N -1 1 361.833 2.469 20 0 FEADMM C[C@@H]1Cc2cc(C(=O)Nc3c([O-])cccc3F)ccc2N1S(C)(=O)=O ZINC000605439556 675815113 /nfs/dbraw/zinc/81/51/13/675815113.db2.gz IQZMHGYDUVBYGR-SNVBAGLBSA-N -1 1 364.398 2.494 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000606751773 675840285 /nfs/dbraw/zinc/84/02/85/675840285.db2.gz DWAKXKRFXAOYRB-UHFFFAOYSA-N -1 1 360.395 2.102 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(N)=O ZINC000607331110 675864171 /nfs/dbraw/zinc/86/41/71/675864171.db2.gz SLYDMZADSFFKHE-UHFFFAOYSA-N -1 1 360.313 2.012 20 0 FEADMM O=S(=O)([N-][C@H](CO)c1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000608026330 675882089 /nfs/dbraw/zinc/88/20/89/675882089.db2.gz ROYCGVMEGWAUIA-CQSZACIVSA-N -1 1 351.428 2.022 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cnccc2C)c1 ZINC000608349223 675889284 /nfs/dbraw/zinc/88/92/84/675889284.db2.gz OJJBMDKFFWBEMX-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2Cc3ccccc32)o1 ZINC000615892658 676233134 /nfs/dbraw/zinc/23/31/34/676233134.db2.gz SIYVSICAUUUGFY-ZDUSSCGKSA-N -1 1 362.451 2.426 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1ccccc1F ZINC000615939217 676234227 /nfs/dbraw/zinc/23/42/27/676234227.db2.gz DOSDHVOSAFOMAC-MRXNPFEDSA-N -1 1 366.414 2.084 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nnc(C2CC2)n1C ZINC000617289412 676278789 /nfs/dbraw/zinc/27/87/89/676278789.db2.gz OKAGNWJTXPTBHH-UHFFFAOYSA-N -1 1 363.443 2.097 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cccc(Br)c1 ZINC000618487711 676342374 /nfs/dbraw/zinc/34/23/74/676342374.db2.gz XKTXSTIHPOVOJI-ZDUSSCGKSA-N -1 1 358.199 2.482 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)co1 ZINC000619160841 676365611 /nfs/dbraw/zinc/36/56/11/676365611.db2.gz ZFYAWYOXWHHKKX-WCQYABFASA-N -1 1 354.815 2.127 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1)c1ccc(F)c(C)c1 ZINC000619497251 676381731 /nfs/dbraw/zinc/38/17/31/676381731.db2.gz YTQQAPSNVMNUEH-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1N ZINC000619855947 676397406 /nfs/dbraw/zinc/39/74/06/676397406.db2.gz WXVSVDOEGLNXFT-UHFFFAOYSA-N -1 1 363.420 2.466 20 0 FEADMM COc1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000620022673 676403404 /nfs/dbraw/zinc/40/34/04/676403404.db2.gz XHUJTDVZUVNFKB-JTQLQIEISA-N -1 1 354.834 2.431 20 0 FEADMM C[C@@H](O)C1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000620061614 676405193 /nfs/dbraw/zinc/40/51/93/676405193.db2.gz UNDXAEYLHSEUGF-MRVPVSSYSA-N -1 1 351.200 2.346 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(OC)cc2)o1 ZINC000621240858 676447086 /nfs/dbraw/zinc/44/70/86/676447086.db2.gz CQYMDPYSPJZNIR-UHFFFAOYSA-N -1 1 366.439 2.499 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc(F)c(SC)c3)nc2n1 ZINC000622997362 676514736 /nfs/dbraw/zinc/51/47/36/676514736.db2.gz WGEAXWOEVWXABK-UHFFFAOYSA-N -1 1 361.402 2.483 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cnco1 ZINC000677532099 679684640 /nfs/dbraw/zinc/68/46/40/679684640.db2.gz QYBICLUUIKAQJI-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C)C1CC1 ZINC000624952394 676604994 /nfs/dbraw/zinc/60/49/94/676604994.db2.gz SRJSBBSMFQFJMB-ZIAGYGMSSA-N -1 1 357.476 2.379 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC)c1ccco1 ZINC000625041175 676613075 /nfs/dbraw/zinc/61/30/75/676613075.db2.gz ZAZHVEOIUHLAHA-HOTGVXAUSA-N -1 1 371.430 2.283 20 0 FEADMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O ZINC000625122619 676621189 /nfs/dbraw/zinc/62/11/89/676621189.db2.gz QPKZRQBNTQPSRU-ZDUSSCGKSA-N -1 1 360.426 2.393 20 0 FEADMM Cc1nc(C)c(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)o1 ZINC000625238446 676631675 /nfs/dbraw/zinc/63/16/75/676631675.db2.gz XABKPQHZKHJROY-UHFFFAOYSA-N -1 1 366.262 2.297 20 0 FEADMM COc1cc2[n-]cc(C(=O)NCC[C@H]3CC3(F)F)c(=O)c2c(OC)c1 ZINC000628193096 676794165 /nfs/dbraw/zinc/79/41/65/676794165.db2.gz YGOVUFVHGAIELA-VIFPVBQESA-N -1 1 352.337 2.320 20 0 FEADMM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000678036481 679711232 /nfs/dbraw/zinc/71/12/32/679711232.db2.gz HGTAHBUAOQIRJQ-HNNXBMFYSA-N -1 1 363.332 2.396 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000628391743 676801583 /nfs/dbraw/zinc/80/15/83/676801583.db2.gz FHKUBVWAORTEKZ-AOOOYVTPSA-N -1 1 352.385 2.344 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2ncn(C)n2)cc1)C1CC1 ZINC000629292919 676841862 /nfs/dbraw/zinc/84/18/62/676841862.db2.gz CQNASLSODILAFN-HNNXBMFYSA-N -1 1 350.444 2.039 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-]c1cnn(C2CCOCC2)c1C)C1CC1 ZINC000629306468 676844059 /nfs/dbraw/zinc/84/40/59/676844059.db2.gz YUUPLXUXHZOACJ-MRXNPFEDSA-N -1 1 357.476 2.100 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)nn(C)c1N1CCC1)C1CCCCC1 ZINC000629353587 676851077 /nfs/dbraw/zinc/85/10/77/676851077.db2.gz INYWKFQFBRSWBF-HNNXBMFYSA-N -1 1 370.519 2.276 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2csc(C(F)(F)F)c2)co1 ZINC000629426634 676854385 /nfs/dbraw/zinc/85/43/85/676854385.db2.gz UCTPHOHWQKJCRG-UHFFFAOYSA-N -1 1 368.358 2.198 20 0 FEADMM CCOc1c(Cl)cccc1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630220594 676887764 /nfs/dbraw/zinc/88/77/64/676887764.db2.gz PVFWGLQCVZAPMA-CYBMUJFWSA-N -1 1 368.861 2.289 20 0 FEADMM CO[C@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@@](C)(C(=O)[O-])C1 ZINC000630311140 676892899 /nfs/dbraw/zinc/89/28/99/676892899.db2.gz LHKJZCLAUAYIIL-BMLIUANNSA-N -1 1 363.801 2.434 20 0 FEADMM O=C(CCc1nn[n-]n1)N(Cc1cccc(Br)c1)C1CC1 ZINC000630694428 676917137 /nfs/dbraw/zinc/91/71/37/676917137.db2.gz PGWBQAKWNUJXON-UHFFFAOYSA-N -1 1 350.220 2.086 20 0 FEADMM Cc1cc(N2CC[C@@H](Sc3nc(C)c(C4CC4)c(=O)[n-]3)C2=O)n(C)n1 ZINC000631024173 676929748 /nfs/dbraw/zinc/92/97/48/676929748.db2.gz MWKIAKVUWDTTRI-GFCCVEGCSA-N -1 1 359.455 2.308 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)sn1 ZINC000631762733 676955849 /nfs/dbraw/zinc/95/58/49/676955849.db2.gz RPBZMJAAMLXVPW-SNVBAGLBSA-N -1 1 351.453 2.376 20 0 FEADMM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cc(C)ns2)CC1 ZINC000631775233 676956757 /nfs/dbraw/zinc/95/67/57/676956757.db2.gz NZDIVTCJVJMPDW-UHFFFAOYSA-N -1 1 359.517 2.157 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](CCCO)c2ccccc2)c1 ZINC000632022686 676971197 /nfs/dbraw/zinc/97/11/97/676971197.db2.gz RBUXYYCGVBUHSV-HNNXBMFYSA-N -1 1 351.424 2.193 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000632141122 676978158 /nfs/dbraw/zinc/97/81/58/676978158.db2.gz KVBJEFRDFMTFOK-APHBMKBZSA-N -1 1 353.440 2.027 20 0 FEADMM Cc1cc(S(=O)(=O)[N-][C@H](Cc2nc(C)no2)c2ccccc2)sn1 ZINC000632277320 676985236 /nfs/dbraw/zinc/98/52/36/676985236.db2.gz MCIBIBHGBMTNNJ-CYBMUJFWSA-N -1 1 364.452 2.405 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cscc1Br)c1csnn1 ZINC000632458919 676995643 /nfs/dbraw/zinc/99/56/43/676995643.db2.gz AFXWHNUPOKYNIF-RXMQYKEDSA-N -1 1 354.276 2.402 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cscc1Br)c1csnn1 ZINC000632458920 676995667 /nfs/dbraw/zinc/99/56/67/676995667.db2.gz AFXWHNUPOKYNIF-YFKPBYRVSA-N -1 1 354.276 2.402 20 0 FEADMM O=S(=O)([N-][C@H]1C[C@@H](CO)C1)c1cc(Cl)c(Br)cc1F ZINC000632620993 677006230 /nfs/dbraw/zinc/00/62/30/677006230.db2.gz HPAPTBFZUVSZPK-KNVOCYPGSA-N -1 1 372.643 2.291 20 0 FEADMM O=S(=O)([N-][C@@H](C1CCC1)[C@H]1CCCO1)c1c[nH]nc1C(F)(F)F ZINC000632703741 677011039 /nfs/dbraw/zinc/01/10/39/677011039.db2.gz GUYSPXBJTFREFN-KOLCDFICSA-N -1 1 353.366 2.055 20 0 FEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000633329922 677043285 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364.408 2.497 20 0 FEADMM CCCC(O)(CCC)CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830816094 677062468 /nfs/dbraw/zinc/06/24/68/677062468.db2.gz KENMKKHTKIUBJY-CQSZACIVSA-N -1 1 352.397 2.377 20 0 FEADMM CC(C)c1cc(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc(=O)[nH]1 ZINC000830816644 677062689 /nfs/dbraw/zinc/06/26/89/677062689.db2.gz RIOCYRRUZOQDTD-OAHLLOKOSA-N -1 1 359.348 2.194 20 0 FEADMM CC(C)Nc1ncccc1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830821918 677063165 /nfs/dbraw/zinc/06/31/65/677063165.db2.gz LSEFIMGCQZVDRO-HNNXBMFYSA-N -1 1 358.364 2.185 20 0 FEADMM C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000830823123 677063333 /nfs/dbraw/zinc/06/33/33/677063333.db2.gz UJJMRLPQMZRLMN-XUJVJEKNSA-N -1 1 350.381 2.251 20 0 FEADMM C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000830823122 677063359 /nfs/dbraw/zinc/06/33/59/677063359.db2.gz UJJMRLPQMZRLMN-TYNCELHUSA-N -1 1 350.381 2.251 20 0 FEADMM Cn1nc(C(C)(C)C)cc1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830827817 677063757 /nfs/dbraw/zinc/06/37/57/677063757.db2.gz ODWXQPPWPCZVDE-OAHLLOKOSA-N -1 1 360.380 2.001 20 0 FEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000830834096 677064091 /nfs/dbraw/zinc/06/40/91/677064091.db2.gz WWEYAPTXYLLUKM-ZDUSSCGKSA-N -1 1 350.724 2.329 20 0 FEADMM Cn1nc2c(c1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1)CCCC2 ZINC000634656221 677079008 /nfs/dbraw/zinc/07/90/08/677079008.db2.gz CRRCOUFVSQKHNM-UHFFFAOYSA-N -1 1 351.476 2.411 20 0 FEADMM COc1cc(F)c([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)cc1OC ZINC000634788616 677082265 /nfs/dbraw/zinc/08/22/65/677082265.db2.gz AXRGOVPBVSPAGO-UHFFFAOYSA-N -1 1 369.418 2.256 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn2c1CCCC2)c1ccc(F)cc1 ZINC000634796160 677083158 /nfs/dbraw/zinc/08/31/58/677083158.db2.gz FYYRAEXKZQLJCU-INIZCTEOSA-N -1 1 353.419 2.488 20 0 FEADMM Cn1nc(C(=O)[O-])cc1CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000635299174 677094872 /nfs/dbraw/zinc/09/48/72/677094872.db2.gz AIZJTRGZRUZANZ-UHFFFAOYSA-N -1 1 362.861 2.480 20 0 FEADMM O=C(CCCc1nn[n-]n1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000635530904 677101263 /nfs/dbraw/zinc/10/12/63/677101263.db2.gz MVVBMSUCCXYHRY-UHFFFAOYSA-N -1 1 363.849 2.040 20 0 FEADMM CC(C)(CNC(=O)CCCc1nn[n-]n1)c1ccccc1Br ZINC000635718766 677105077 /nfs/dbraw/zinc/10/50/77/677105077.db2.gz GLAMTBCMEFXCMV-UHFFFAOYSA-N -1 1 366.263 2.379 20 0 FEADMM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)CCCc1nn[n-]n1 ZINC000635916527 677110177 /nfs/dbraw/zinc/11/01/77/677110177.db2.gz QMADYNMRNKZNPJ-UHFFFAOYSA-N -1 1 357.336 2.122 20 0 FEADMM O=C(CCCc1nn[n-]n1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000636121714 677113827 /nfs/dbraw/zinc/11/38/27/677113827.db2.gz YMKLDIKUDGEPOS-UHFFFAOYSA-N -1 1 369.256 2.178 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)nc2n1 ZINC000637272755 677125324 /nfs/dbraw/zinc/12/53/24/677125324.db2.gz WKSRTDVOEIEVOE-RKDXNWHRSA-N -1 1 361.764 2.261 20 0 FEADMM CSc1nc(CNC(=O)CCCc2ccc(O)c(F)c2)cc(=O)[n-]1 ZINC000640655830 677185348 /nfs/dbraw/zinc/18/53/48/677185348.db2.gz KKGLOXDMYKFNGL-UHFFFAOYSA-N -1 1 351.403 2.388 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2CCC[C@@H](O)C2)cc1 ZINC000641252192 677197666 /nfs/dbraw/zinc/19/76/66/677197666.db2.gz IYPJCVITALIQIZ-OAHLLOKOSA-N -1 1 362.451 2.457 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(F)F ZINC000641702450 677214457 /nfs/dbraw/zinc/21/44/57/677214457.db2.gz PXUBUNTXEQHOOB-SECBINFHSA-N -1 1 368.471 2.385 20 0 FEADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000642261582 677219228 /nfs/dbraw/zinc/21/92/28/677219228.db2.gz PREXRWCAXCTBAT-UHFFFAOYSA-N -1 1 366.439 2.249 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2c3c(nn2C)CCCC3)c(F)c1 ZINC000643215012 677224509 /nfs/dbraw/zinc/22/45/09/677224509.db2.gz KYEZAYSBJQKXCL-UHFFFAOYSA-N -1 1 371.409 2.064 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c(C(F)(F)F)n1 ZINC000645080425 677253204 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Cc1c([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[nH]nc1C(C)C ZINC000647278827 677299557 /nfs/dbraw/zinc/29/95/57/677299557.db2.gz MAFKYBLXLDHVAQ-UHFFFAOYSA-N -1 1 371.484 2.187 20 0 FEADMM O=C([O-])[C@]1(NCc2cc(OC(F)F)ccc2Br)CCOC1 ZINC000647646879 677304028 /nfs/dbraw/zinc/30/40/28/677304028.db2.gz RHSJUPCOQKIIHO-ZDUSSCGKSA-N -1 1 366.158 2.384 20 0 FEADMM O=C([O-])C1(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCOCC1 ZINC000647764512 677305655 /nfs/dbraw/zinc/30/56/55/677305655.db2.gz BAZUXAFYILKCHR-UHFFFAOYSA-N -1 1 369.830 2.403 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000647816210 677306397 /nfs/dbraw/zinc/30/63/97/677306397.db2.gz ASZIFWLAQLLDIC-UHFFFAOYSA-N -1 1 358.427 2.352 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)CC(F)(F)F ZINC000867404420 684270557 /nfs/dbraw/zinc/27/05/57/684270557.db2.gz NOCVUMAVKYRJJQ-LURJTMIESA-N -1 1 364.187 2.049 20 0 FEADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(CCc3c(F)cccc3Cl)CC2)C1 ZINC000650499254 677378932 /nfs/dbraw/zinc/37/89/32/677378932.db2.gz 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2.382 20 0 FEADMM CC[C@H](C)[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000903591018 690934254 /nfs/dbraw/zinc/93/42/54/690934254.db2.gz GLFXFIDFBJVALM-WFASDCNBSA-N -1 1 374.890 2.146 20 0 FEADMM CC[C@@H](C)[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000903591217 690934401 /nfs/dbraw/zinc/93/44/01/690934401.db2.gz JQUKYBXAICDCNG-IUODEOHRSA-N -1 1 374.890 2.146 20 0 FEADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3n2CCCC3)c1 ZINC000903604294 690936484 /nfs/dbraw/zinc/93/64/84/690936484.db2.gz ZWPRCZFGJGIMQM-UHFFFAOYSA-N -1 1 369.830 2.460 20 0 FEADMM CC(C)NS(=O)(=O)c1cccc(CNCc2ccc(C(=O)[O-])s2)c1 ZINC000903677779 690957269 /nfs/dbraw/zinc/95/72/69/690957269.db2.gz WRVFPLRKUVOFRY-UHFFFAOYSA-N -1 1 368.480 2.423 20 0 FEADMM COC(=O)C1CC2(C1)C[N@H+](Cc1cccc([O-])c1Cl)C[C@H]2C(=O)[O-] ZINC000903695464 690963903 /nfs/dbraw/zinc/96/39/03/690963903.db2.gz ZEWCKDADGJPACF-JKGQDXBKSA-N -1 1 353.802 2.131 20 0 FEADMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cccc([O-])c1Cl)C[C@H]2C(=O)[O-] 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DPMPGWHLJZDJEH-SECBINFHSA-N -1 1 369.199 2.336 20 0 FEADMM COc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)cc(Cl)c1OC ZINC000904048034 690997583 /nfs/dbraw/zinc/99/75/83/690997583.db2.gz MKSNKWGJGJUVSE-CQSZACIVSA-N -1 1 353.806 2.315 20 0 FEADMM O=S1(=O)C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)[C@@H](C(F)(F)F)C1 ZINC000904048437 690997641 /nfs/dbraw/zinc/99/76/41/690997641.db2.gz ABQUZXLBGGOGNE-SFYZADRCSA-N -1 1 366.292 2.272 20 0 FEADMM Cn1ncc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1C(=O)[O-] ZINC000904069224 691000321 /nfs/dbraw/zinc/00/03/21/691000321.db2.gz KIPJQGDZHJCWPH-UHFFFAOYSA-N -1 1 351.790 2.223 20 0 FEADMM CN(C)c1cc(F)cc([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1 ZINC000906067487 691226383 /nfs/dbraw/zinc/22/63/83/691226383.db2.gz BNCFVPNCXJIDNR-OAQYLSRUSA-N -1 1 351.469 2.445 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCCN1CC ZINC000906863586 691330591 /nfs/dbraw/zinc/33/05/91/691330591.db2.gz PNMRNQIJJKFDOH-HNNXBMFYSA-N -1 1 354.472 2.100 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H](c1ccccc1)N(C)C ZINC000906933746 691348005 /nfs/dbraw/zinc/34/80/05/691348005.db2.gz BZYKPVFIKGGUPN-ABAIWWIYSA-N -1 1 368.480 2.416 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1C(=O)[O-] ZINC000907025712 691373621 /nfs/dbraw/zinc/37/36/21/691373621.db2.gz GKHSTAKKDIXQJH-HZPDHXFCSA-N -1 1 366.483 2.297 20 0 FEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000907040657 691377779 /nfs/dbraw/zinc/37/77/79/691377779.db2.gz CHBGPVGUMFEQQH-CYBMUJFWSA-N -1 1 372.462 2.231 20 0 FEADMM COc1cccc(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)c1OC ZINC000907430405 691480318 /nfs/dbraw/zinc/48/03/18/691480318.db2.gz XPTFHSYJIDMIRT-UHFFFAOYSA-N -1 1 373.377 2.209 20 0 FEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)C1CCOCC1 ZINC000907456221 691487080 /nfs/dbraw/zinc/48/70/80/691487080.db2.gz DPFFOPMPCLAMHF-NRFANRHFSA-N -1 1 354.538 2.170 20 0 FEADMM O=C(Cc1csc(C2CCCC2)n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474342 691494024 /nfs/dbraw/zinc/49/40/24/691494024.db2.gz GYEUMAJNMYQNDJ-LBPRGKRZSA-N -1 1 364.500 2.173 20 0 FEADMM Cc1cc(O[C@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)ccc1Cl ZINC000907475429 691494630 /nfs/dbraw/zinc/49/46/30/691494630.db2.gz JXMNRAIJEIOUAP-ZWNOBZJWSA-N -1 1 367.862 2.246 20 0 FEADMM O=C(Cc1cccc(Cl)c1Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477616 691495504 /nfs/dbraw/zinc/49/55/04/691495504.db2.gz GANHRRCWWRSFSL-SNVBAGLBSA-N -1 1 358.254 2.366 20 0 FEADMM O=C(COc1c(Cl)cccc1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907477106 691495598 /nfs/dbraw/zinc/49/55/98/691495598.db2.gz QFKZKTONYCYUCA-JTQLQIEISA-N -1 1 374.253 2.202 20 0 FEADMM Cc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1Br ZINC000907478374 691496230 /nfs/dbraw/zinc/49/62/30/691496230.db2.gz XVJFLTVODODRRV-NSHDSACASA-N -1 1 368.260 2.201 20 0 FEADMM O=C(c1ccc(Cl)c2ncccc12)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481096 691497827 /nfs/dbraw/zinc/49/78/27/691497827.db2.gz ZJXQXYHPMVVDQI-GFCCVEGCSA-N -1 1 360.830 2.332 20 0 FEADMM Cn1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1-c1ccccc1 ZINC000907482633 691498516 /nfs/dbraw/zinc/49/85/16/691498516.db2.gz RNHRVRDKSBWDOK-CQSZACIVSA-N -1 1 354.439 2.136 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CCF)c1)c1cc(Cl)cnc1Cl ZINC000907651107 691533052 /nfs/dbraw/zinc/53/30/52/691533052.db2.gz DIDZFGFULWSZIL-UHFFFAOYSA-N -1 1 353.206 2.033 20 0 FEADMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3ncccc3Br)C2)CO1 ZINC000907730773 691548433 /nfs/dbraw/zinc/54/84/33/691548433.db2.gz GWJKZPPMHARPFI-JBLZRFIASA-N -1 1 361.261 2.080 20 0 FEADMM CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000907835420 691568123 /nfs/dbraw/zinc/56/81/23/691568123.db2.gz KAOFPHWTNRNHEZ-GHMZBOCLSA-N -1 1 373.780 2.441 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2cc(C)sc2C)[n-]c1=O ZINC000908011968 691597934 /nfs/dbraw/zinc/59/79/34/691597934.db2.gz LYTFHZIUQBPANQ-NSHDSACASA-N -1 1 369.468 2.395 20 0 FEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)CCO2 ZINC000908018607 691599697 /nfs/dbraw/zinc/59/96/97/691599697.db2.gz LVRXCWYHHFPWPM-BBWFWOEESA-N -1 1 361.504 2.187 20 0 FEADMM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCCC(C)(C)O2)c1C(F)(F)F ZINC000908099486 691613630 /nfs/dbraw/zinc/61/36/30/691613630.db2.gz LJVHWYBKLKSFOH-SECBINFHSA-N -1 1 355.382 2.065 20 0 FEADMM O=C(Cc1[nH]nc2c1CCCC2)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908174271 691630121 /nfs/dbraw/zinc/63/01/21/691630121.db2.gz ADLZJSSQEYVSHB-LASWEOPPSA-N -1 1 363.483 2.076 20 0 FEADMM CCCN(C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)[C@@H](C)C(=O)[O-] ZINC000908752499 691722996 /nfs/dbraw/zinc/72/29/96/691722996.db2.gz JPOJGEYSUFONJF-XJKSGUPXSA-N -1 1 351.447 2.193 20 0 FEADMM CN(C)Cc1cc(CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])ccc1F ZINC000908986844 691762105 /nfs/dbraw/zinc/76/21/05/691762105.db2.gz QGPUXWXMNNYMCY-GFCCVEGCSA-N -1 1 365.327 2.092 20 0 FEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000908991087 691763027 /nfs/dbraw/zinc/76/30/27/691763027.db2.gz XBBUPHDMKBJGKA-YDHLFZDLSA-N -1 1 351.447 2.052 20 0 FEADMM CN(CCNC(=O)N1CCCCC[C@H]1C(=O)[O-])Cc1ccc(F)cc1 ZINC000909094706 691777373 /nfs/dbraw/zinc/77/73/73/691777373.db2.gz COKFKZXDQQTGCY-INIZCTEOSA-N -1 1 351.422 2.296 20 0 FEADMM CN1CCCC[C@H]1C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909325366 691807734 /nfs/dbraw/zinc/80/77/34/691807734.db2.gz NJZFHMULHIRGDQ-BBRMVZONSA-N -1 1 369.259 2.349 20 0 FEADMM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccc1OC(F)F ZINC000909403802 691818285 /nfs/dbraw/zinc/81/82/85/691818285.db2.gz WZDXPOQVJBKCMN-NEPJUHHUSA-N -1 1 356.369 2.262 20 0 FEADMM CCOc1cc(Cl)ccc1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909553710 691833576 /nfs/dbraw/zinc/83/35/76/691833576.db2.gz XOEZMCNOFSZLHJ-CYBMUJFWSA-N -1 1 354.834 2.152 20 0 FEADMM CN(CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)[C@H]1CCSC1 ZINC000909951328 691875927 /nfs/dbraw/zinc/87/59/27/691875927.db2.gz PLTSCUFHUNKLNG-HOTGVXAUSA-N -1 1 362.495 2.358 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000910251536 691906411 /nfs/dbraw/zinc/90/64/11/691906411.db2.gz KLJGQHULWMRKJV-JTQLQIEISA-N -1 1 350.362 2.180 20 0 FEADMM C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC000910316446 691915378 /nfs/dbraw/zinc/91/53/78/691915378.db2.gz UQIIHANFDBSBBD-KZULUSFZSA-N -1 1 361.829 2.370 20 0 FEADMM C[C@@H]1CC[C@@](NC(=O)CN(C)[C@H]2CCSC2)(C(=O)[O-])c2ccccc21 ZINC001123397354 939825169 /nfs/dbraw/zinc/82/51/69/939825169.db2.gz FMSNQVHHDDZYBT-TYILLQQXSA-N -1 1 362.495 2.417 20 0 FEADMM CCOCCN(CC)C(=O)c1ccc(I)c([O-])c1 ZINC000230894097 548761729 /nfs/dbraw/zinc/76/17/29/548761729.db2.gz GVZNWVHYYPHFRI-UHFFFAOYSA-N -1 1 363.195 2.495 20 0 FEADMM CO[C@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000230893725 548761747 /nfs/dbraw/zinc/76/17/47/548761747.db2.gz RZMLLLZXPQZMGQ-JTQLQIEISA-N -1 1 361.179 2.248 20 0 FEADMM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cccc2c1OCO2 ZINC000549522468 674046313 /nfs/dbraw/zinc/04/63/13/674046313.db2.gz OTDKDLCIXXJEPL-JTQLQIEISA-N -1 1 366.342 2.454 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1 ZINC000022737872 539698081 /nfs/dbraw/zinc/69/80/81/539698081.db2.gz KQUZDWADVLGGRP-QGZVFWFLSA-N -1 1 374.462 2.393 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1 ZINC000022737951 539698182 /nfs/dbraw/zinc/69/81/82/539698182.db2.gz HTQLQPJKMZUKKP-INIZCTEOSA-N -1 1 374.462 2.393 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)ccc1Cl ZINC000023019383 539705118 /nfs/dbraw/zinc/70/51/18/539705118.db2.gz YYNXRDORRQGWCE-UHFFFAOYSA-N -1 1 368.798 2.026 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)o1 ZINC000024625075 539736362 /nfs/dbraw/zinc/73/63/62/539736362.db2.gz NMHWZRUBJVDIHI-UHFFFAOYSA-N -1 1 366.439 2.165 20 0 FEADMM COc1cc(NC(=O)[C@@H](C)Oc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000029968356 539870555 /nfs/dbraw/zinc/87/05/55/539870555.db2.gz BUWGBJCFKVYTDF-GFCCVEGCSA-N -1 1 364.423 2.473 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1 ZINC000029834691 539865035 /nfs/dbraw/zinc/86/50/35/539865035.db2.gz XHZSLAJVTMDHFK-UHFFFAOYSA-N -1 1 362.363 2.099 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)o1 ZINC000031554091 539910285 /nfs/dbraw/zinc/91/02/85/539910285.db2.gz YVUSMLYCCVTFQB-UHFFFAOYSA-N -1 1 368.430 2.468 20 0 FEADMM CCCCOCCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000032660755 539946665 /nfs/dbraw/zinc/94/66/65/539946665.db2.gz YGMUSYXAJALJTC-UHFFFAOYSA-N -1 1 360.476 2.293 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000044287803 540122598 /nfs/dbraw/zinc/12/25/98/540122598.db2.gz FKKJUSUHFAINRQ-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cn4cccn4)cc3)cc2o1 ZINC000047211400 540296435 /nfs/dbraw/zinc/29/64/35/540296435.db2.gz MWHUWXVUAUDTMO-UHFFFAOYSA-N -1 1 370.390 2.167 20 0 FEADMM Nc1ncnc2c1ncn2CC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534555983 540381007 /nfs/dbraw/zinc/38/10/07/540381007.db2.gz OJHTTXRMOHHXKV-UHFFFAOYSA-N -1 1 374.817 2.152 20 0 FEADMM O=c1nc(COc2ccccc2)[n-]c2sc3c(c21)CCS(=O)(=O)C3 ZINC000054753551 540606596 /nfs/dbraw/zinc/60/65/96/540606596.db2.gz MAWLAJTYFDUJRM-UHFFFAOYSA-N -1 1 362.432 2.035 20 0 FEADMM CC(=O)NCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000055220846 540637676 /nfs/dbraw/zinc/63/76/76/540637676.db2.gz GEXOZIWRDRBXDA-UHFFFAOYSA-N -1 1 359.662 2.451 20 0 FEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1C ZINC000055615334 540663999 /nfs/dbraw/zinc/66/39/99/540663999.db2.gz ZZMOONSIJBAGCI-UHFFFAOYSA-N -1 1 361.379 2.189 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1C ZINC000055650603 540667760 /nfs/dbraw/zinc/66/77/60/540667760.db2.gz BDTXUYIBDCPMMB-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000055739494 540673796 /nfs/dbraw/zinc/67/37/96/540673796.db2.gz ZILIQICHBICKSG-GFCCVEGCSA-N -1 1 354.815 2.258 20 0 FEADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000057123626 540769984 /nfs/dbraw/zinc/76/99/84/540769984.db2.gz BBEIWPRWZPUFGV-NSHDSACASA-N -1 1 351.428 2.102 20 0 FEADMM COC(=O)N1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000057445942 540797093 /nfs/dbraw/zinc/79/70/93/540797093.db2.gz CVDSYFTWUDZJQB-UHFFFAOYSA-N -1 1 357.204 2.115 20 0 FEADMM Cc1cnc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000063451910 541169253 /nfs/dbraw/zinc/16/92/53/541169253.db2.gz STXJNPGZXKIRIJ-UHFFFAOYSA-N -1 1 355.423 2.477 20 0 FEADMM COc1ncccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000063505856 541171700 /nfs/dbraw/zinc/17/17/00/541171700.db2.gz GTZMNMJHULANBX-UHFFFAOYSA-N -1 1 365.393 2.115 20 0 FEADMM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1csnn1 ZINC000064534216 541210150 /nfs/dbraw/zinc/21/01/50/541210150.db2.gz HAFHXPCDQSIUKK-UHFFFAOYSA-N -1 1 365.216 2.193 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(C)cc2C)o1 ZINC000066445737 541320214 /nfs/dbraw/zinc/32/02/14/541320214.db2.gz GAIHJEOVIKPBOM-CYBMUJFWSA-N -1 1 350.440 2.166 20 0 FEADMM CC(C)n1c(CNC(=O)CNC(=O)c2cccc(Cl)c2)n[n-]c1=S ZINC000066649969 541354953 /nfs/dbraw/zinc/35/49/53/541354953.db2.gz BIKSURSZJKQANL-UHFFFAOYSA-N -1 1 367.862 2.221 20 0 FEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051440 541410997 /nfs/dbraw/zinc/41/09/97/541410997.db2.gz UIEDJHCMAJVJIG-UHFFFAOYSA-N -1 1 359.459 2.084 20 0 FEADMM CC(C)n1c(CCNC(=O)c2cncc(-c3cnn(C)c3)c2)n[n-]c1=S ZINC000067074893 541414604 /nfs/dbraw/zinc/41/46/04/541414604.db2.gz IHSIASQSEFYUJI-UHFFFAOYSA-N -1 1 371.470 2.290 20 0 FEADMM Cc1c(C(=O)NCCc2n[n-]c(=S)n2C2CC2)[nH]c2c1C(=O)CCC2 ZINC000067093770 541416897 /nfs/dbraw/zinc/41/68/97/541416897.db2.gz SBNQLYHIMSOAJL-UHFFFAOYSA-N -1 1 359.455 2.404 20 0 FEADMM COC(=O)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(OC(F)F)cc1 ZINC000550792031 674110541 /nfs/dbraw/zinc/11/05/41/674110541.db2.gz IRXVYNYJCBWBFV-ZDUSSCGKSA-N -1 1 352.293 2.033 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccc2)n[nH]1 ZINC000068460785 541595235 /nfs/dbraw/zinc/59/52/35/541595235.db2.gz MEEMZLOLWPLLDG-OAHLLOKOSA-N -1 1 364.377 2.459 20 0 FEADMM CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000068465428 541595481 /nfs/dbraw/zinc/59/54/81/541595481.db2.gz AWCWCWJWJKRVIX-NSHDSACASA-N -1 1 355.232 2.143 20 0 FEADMM CCc1nc([C@H]2CCCN(C(=O)c3nc4ccccc4c(=O)[n-]3)C2)no1 ZINC000069219399 541668808 /nfs/dbraw/zinc/66/88/08/541668808.db2.gz ULXDKJFECNFJEM-NSHDSACASA-N -1 1 353.382 2.301 20 0 FEADMM O=C(Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000069673575 541703880 /nfs/dbraw/zinc/70/38/80/541703880.db2.gz HOKRRLWMOXXLFQ-UHFFFAOYSA-N -1 1 360.435 2.358 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000544258795 541741633 /nfs/dbraw/zinc/74/16/33/541741633.db2.gz HQEVTEZSCBBCSO-UHFFFAOYSA-N -1 1 356.386 2.103 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2c(C)noc2C)c(=O)[n-]1 ZINC000070937948 541753348 /nfs/dbraw/zinc/75/33/48/541753348.db2.gz NUNXIXGCLHULLQ-SECBINFHSA-N -1 1 350.444 2.215 20 0 FEADMM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000551169956 674128132 /nfs/dbraw/zinc/12/81/32/674128132.db2.gz IKASRELETGGABU-UHFFFAOYSA-N -1 1 361.183 2.356 20 0 FEADMM CC(C)n1c(CNC(=O)[C@@H]2CCCN2Cc2ccccn2)n[n-]c1=S ZINC000073497108 541958850 /nfs/dbraw/zinc/95/88/50/541958850.db2.gz DMVFNYQEXVATJP-AWEZNQCLSA-N -1 1 360.487 2.197 20 0 FEADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000074274687 542062122 /nfs/dbraw/zinc/06/21/22/542062122.db2.gz BOYLFRADPYULAE-LLVKDONJSA-N -1 1 350.378 2.373 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3ccc(F)cc3Br)ccnc1-2 ZINC000801702457 674144640 /nfs/dbraw/zinc/14/46/40/674144640.db2.gz HCRULDJYLZUIOP-UHFFFAOYSA-N -1 1 363.190 2.425 20 0 FEADMM CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077389004 542377261 /nfs/dbraw/zinc/37/72/61/542377261.db2.gz COVFWHJMUPERQS-CYBMUJFWSA-N -1 1 364.464 2.006 20 0 FEADMM O=C(CCn1ccccc1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078908492 542487466 /nfs/dbraw/zinc/48/74/66/542487466.db2.gz QOVYLWRWVPZWGC-UHFFFAOYSA-N -1 1 354.406 2.066 20 0 FEADMM O=C(NCc1ccnc(N2CCCCC2)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000079404105 542517071 /nfs/dbraw/zinc/51/70/71/542517071.db2.gz BCVACLZFVAONKG-UHFFFAOYSA-N -1 1 363.421 2.238 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccc([S@@](C)=O)cc3)cnc2n1 ZINC000080038440 542558800 /nfs/dbraw/zinc/55/88/00/542558800.db2.gz AGNDCUYKWUFQOU-VWLOTQADSA-N -1 1 355.419 2.311 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc([S@@](C)=O)cc1)c2=O ZINC000080038440 542558805 /nfs/dbraw/zinc/55/88/05/542558805.db2.gz AGNDCUYKWUFQOU-VWLOTQADSA-N -1 1 355.419 2.311 20 0 FEADMM CC(C)n1c(CNC(=O)c2ccccc2Cn2cncn2)n[n-]c1=S ZINC000080173351 542571017 /nfs/dbraw/zinc/57/10/17/542571017.db2.gz QIOSSBLCJMEUOB-UHFFFAOYSA-N -1 1 357.443 2.091 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084938779 542723923 /nfs/dbraw/zinc/72/39/23/542723923.db2.gz FIJSGZBIBYWHGJ-QWHCGFSZSA-N -1 1 357.453 2.067 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(C)Cc2ccccc2C1 ZINC000092613588 542874926 /nfs/dbraw/zinc/87/49/26/542874926.db2.gz XBIOVLSBNSCTGN-UHFFFAOYSA-N -1 1 374.444 2.357 20 0 FEADMM CC(C)n1cnnc1[C@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000093200731 542917584 /nfs/dbraw/zinc/91/75/84/542917584.db2.gz ZWAFYBUCPOQCML-KRWDZBQOSA-N -1 1 357.458 2.286 20 0 FEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1NS(C)(=O)=O ZINC000093964854 542947002 /nfs/dbraw/zinc/94/70/02/542947002.db2.gz HGCYZSBGYZAPOL-JTQLQIEISA-N -1 1 352.387 2.394 20 0 FEADMM COc1cc(F)cc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000094096026 542951167 /nfs/dbraw/zinc/95/11/67/542951167.db2.gz AYTUOCIBQFIBHZ-UHFFFAOYSA-N -1 1 365.430 2.197 20 0 FEADMM CCn1c(CNC(=O)c2ccn(-c3cc(C)ccc3OC)n2)n[n-]c1=S ZINC000097550756 543012761 /nfs/dbraw/zinc/01/27/61/543012761.db2.gz HIYWTMUNSRNWPR-UHFFFAOYSA-N -1 1 372.454 2.393 20 0 FEADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccn[nH]1 ZINC000102381095 543067256 /nfs/dbraw/zinc/06/72/56/543067256.db2.gz SLYHYSNZESQEMX-UHFFFAOYSA-N -1 1 356.407 2.141 20 0 FEADMM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C2 ZINC000102935002 543085854 /nfs/dbraw/zinc/08/58/54/543085854.db2.gz CUYNOKUVPOBYAW-LLVKDONJSA-N -1 1 355.362 2.255 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCOc1cccc(Cl)c1 ZINC000103942279 543118787 /nfs/dbraw/zinc/11/87/87/543118787.db2.gz ZUYOXQFFDLSWLU-UHFFFAOYSA-N -1 1 374.828 2.031 20 0 FEADMM COc1cccc2c1N(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)CCC2 ZINC000103941767 543118913 /nfs/dbraw/zinc/11/89/13/543118913.db2.gz DWHDRVSTIQTQGB-UHFFFAOYSA-N -1 1 366.421 2.170 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000104836972 543146549 /nfs/dbraw/zinc/14/65/49/543146549.db2.gz WDHHAKDIPDODLU-UHFFFAOYSA-N -1 1 362.393 2.006 20 0 FEADMM COc1ccc(F)cc1[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104853791 543147286 /nfs/dbraw/zinc/14/72/86/543147286.db2.gz MNGRHIORNBHVMD-NSHDSACASA-N -1 1 372.400 2.207 20 0 FEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000105388560 543172963 /nfs/dbraw/zinc/17/29/63/543172963.db2.gz UEADAUWXRCOQQD-UHFFFAOYSA-N -1 1 356.407 2.191 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000109331626 543321882 /nfs/dbraw/zinc/32/18/82/543321882.db2.gz OOJQVZDLBKYKTF-UHFFFAOYSA-N -1 1 362.407 2.257 20 0 FEADMM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccncc1[O-] ZINC000109891592 543343330 /nfs/dbraw/zinc/34/33/30/543343330.db2.gz ZZLBIRVSVNNNRM-ZETCQYMHSA-N -1 1 370.228 2.368 20 0 FEADMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc2ccccc2c1[O-] ZINC000112032516 543427448 /nfs/dbraw/zinc/42/74/48/543427448.db2.gz SPMRBVJTSCZLQQ-CYBMUJFWSA-N -1 1 352.312 2.438 20 0 FEADMM O=C(Nc1ccc[nH]c1=O)c1cc(I)ccc1[O-] ZINC000616289611 676244845 /nfs/dbraw/zinc/24/48/45/676244845.db2.gz BLNMYAKSRKTWGV-UHFFFAOYSA-N -1 1 356.119 2.350 20 0 FEADMM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1OC ZINC000114496853 543521555 /nfs/dbraw/zinc/52/15/55/543521555.db2.gz QELOXUBLJHITSW-MRVPVSSYSA-N -1 1 358.391 2.487 20 0 FEADMM O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1F)C(F)(F)F ZINC000551996825 674180056 /nfs/dbraw/zinc/18/00/56/674180056.db2.gz XUOHRRSKOZJWPM-RXMQYKEDSA-N -1 1 365.251 2.035 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)co1 ZINC000123240084 543750661 /nfs/dbraw/zinc/75/06/61/543750661.db2.gz LKBLFPYZNBWLRX-UHFFFAOYSA-N -1 1 357.819 2.159 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(=O)[n-]1 ZINC000123371744 543757378 /nfs/dbraw/zinc/75/73/78/543757378.db2.gz AFSPYINABNQFCN-CFVMTHIKSA-N -1 1 365.499 2.005 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000124330644 543814694 /nfs/dbraw/zinc/81/46/94/543814694.db2.gz NLRXRTBHBHKOKB-LBPRGKRZSA-N -1 1 364.471 2.231 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccc(OCc2cscn2)c1)c1nn[n-]n1 ZINC000123977909 543794001 /nfs/dbraw/zinc/79/40/01/543794001.db2.gz HLTLXVXVZPZQQW-LLVKDONJSA-N -1 1 358.427 2.111 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nn[n-]n1 ZINC000124220492 543807887 /nfs/dbraw/zinc/80/78/87/543807887.db2.gz RZQOXATYHNCXEI-GFCCVEGCSA-N -1 1 366.381 2.119 20 0 FEADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)[nH]n1 ZINC000126780183 543956470 /nfs/dbraw/zinc/95/64/70/543956470.db2.gz SMIYDFOFUIKEDL-UHFFFAOYSA-N -1 1 371.484 2.203 20 0 FEADMM CN(C(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1nccs1 ZINC000126972185 543966074 /nfs/dbraw/zinc/96/60/74/543966074.db2.gz WFXLOJQQEKHKTO-UHFFFAOYSA-N -1 1 350.347 2.413 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)co1 ZINC000129208556 544096988 /nfs/dbraw/zinc/09/69/88/544096988.db2.gz NIBCZYILXFFDNE-UHFFFAOYSA-N -1 1 368.842 2.303 20 0 FEADMM C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000129504464 544115453 /nfs/dbraw/zinc/11/54/53/544115453.db2.gz WKNLJOYBMSKCMG-NWDGAFQWSA-N -1 1 374.466 2.212 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cc(F)cc(F)c1 ZINC000130506283 544153795 /nfs/dbraw/zinc/15/37/95/544153795.db2.gz DEHKFFSNDLWZSL-UHFFFAOYSA-N -1 1 368.361 2.363 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)co1 ZINC000130667848 544159922 /nfs/dbraw/zinc/15/99/22/544159922.db2.gz KFNSWXKMZGCBHO-UHFFFAOYSA-N -1 1 366.443 2.286 20 0 FEADMM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1cc(Cl)sc1Cl ZINC000097013444 222150922 /nfs/dbraw/zinc/15/09/22/222150922.db2.gz KFOWZQQGBJAAGQ-LURJTMIESA-N -1 1 353.256 2.460 20 0 FEADMM O=S(=O)([N-]CCc1cscn1)c1sccc1Br ZINC000104440178 222357013 /nfs/dbraw/zinc/35/70/13/222357013.db2.gz HNFRRSVGAJXUEZ-UHFFFAOYSA-N -1 1 353.288 2.488 20 0 FEADMM CC[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CCN1CC(F)F ZINC000133653817 544278676 /nfs/dbraw/zinc/27/86/76/544278676.db2.gz OSCANSCQRQAILT-LBPRGKRZSA-N -1 1 364.396 2.445 20 0 FEADMM CC[C@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CCN1CC(F)F ZINC000133653817 544278678 /nfs/dbraw/zinc/27/86/78/544278678.db2.gz OSCANSCQRQAILT-LBPRGKRZSA-N -1 1 364.396 2.445 20 0 FEADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000133063309 544254291 /nfs/dbraw/zinc/25/42/91/544254291.db2.gz AGKNYPSGZAYBKZ-UHFFFAOYSA-N -1 1 359.411 2.252 20 0 FEADMM CCC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1nn[n-]n1 ZINC000136726570 544378285 /nfs/dbraw/zinc/37/82/85/544378285.db2.gz WSZNKPIAGZDMEL-ZDUSSCGKSA-N -1 1 359.459 2.141 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nnc2ccccn21 ZINC000147363661 544445548 /nfs/dbraw/zinc/44/55/48/544445548.db2.gz PLYUGZBURBVCFW-UHFFFAOYSA-N -1 1 359.411 2.133 20 0 FEADMM O=C(CS(=O)(=O)c1nc[n-]n1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000150952612 544490021 /nfs/dbraw/zinc/49/00/21/544490021.db2.gz BTYZGXXPIJCCTA-INIZCTEOSA-N -1 1 362.455 2.016 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(N)=O ZINC000151169006 544512342 /nfs/dbraw/zinc/51/23/42/544512342.db2.gz LJRMUHXHNBCRPM-SECBINFHSA-N -1 1 358.769 2.147 20 0 FEADMM O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000151336186 544530472 /nfs/dbraw/zinc/53/04/72/544530472.db2.gz GFYGPPVKAWKEJV-UHFFFAOYSA-N -1 1 357.790 2.388 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)o1 ZINC000151640015 544565730 /nfs/dbraw/zinc/56/57/30/544565730.db2.gz SHJSUNBJJXTIRP-UHFFFAOYSA-N -1 1 362.451 2.382 20 0 FEADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H](C)CO ZINC000151935912 544597797 /nfs/dbraw/zinc/59/77/97/544597797.db2.gz VVSPNBBSLJBLIS-ZIAGYGMSSA-N -1 1 362.451 2.234 20 0 FEADMM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1nnc[n-]1 ZINC000153023147 544724214 /nfs/dbraw/zinc/72/42/14/544724214.db2.gz DGLOBWUXVIQJMN-SSDOTTSWSA-N -1 1 373.316 2.408 20 0 FEADMM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1ncn[n-]1 ZINC000153023147 544724219 /nfs/dbraw/zinc/72/42/19/544724219.db2.gz DGLOBWUXVIQJMN-SSDOTTSWSA-N -1 1 373.316 2.408 20 0 FEADMM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1nc[n-]n1 ZINC000153023147 544724222 /nfs/dbraw/zinc/72/42/22/544724222.db2.gz DGLOBWUXVIQJMN-SSDOTTSWSA-N -1 1 373.316 2.408 20 0 FEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2cc(Cl)ccc2Cl)n[n-]1 ZINC000153138052 544738348 /nfs/dbraw/zinc/73/83/48/544738348.db2.gz DXWRLLOJNBDJIJ-UHFFFAOYSA-N -1 1 363.226 2.086 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n[n-]1 ZINC000153153241 544739405 /nfs/dbraw/zinc/73/94/05/544739405.db2.gz IXQOMGHNNCRCIO-VHSXEESVSA-N -1 1 370.862 2.060 20 0 FEADMM Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000154847475 544957534 /nfs/dbraw/zinc/95/75/34/544957534.db2.gz PXFPTLPTRHFUQS-UHFFFAOYSA-N -1 1 356.397 2.367 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1)c1ccc(Cl)c(F)c1 ZINC000155069896 544983840 /nfs/dbraw/zinc/98/38/40/544983840.db2.gz YFBIJZBPMPULMX-ZDUSSCGKSA-N -1 1 358.778 2.067 20 0 FEADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000803172203 674226411 /nfs/dbraw/zinc/22/64/11/674226411.db2.gz JMNOKTMNPGFNKE-JTQLQIEISA-N -1 1 371.821 2.405 20 0 FEADMM COc1cc(C(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000553082444 674237792 /nfs/dbraw/zinc/23/77/92/674237792.db2.gz DUZQIYDWENKCBV-BMIGLBTASA-N -1 1 362.813 2.442 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOC3)cc2)cc1 ZINC000179003553 327620677 /nfs/dbraw/zinc/62/06/77/327620677.db2.gz JEWNPKVUMZNTGI-MRXNPFEDSA-N -1 1 360.435 2.315 20 0 FEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2cccnn2)CC1 ZINC000180480308 327687620 /nfs/dbraw/zinc/68/76/20/327687620.db2.gz MSMDCDAGJDAODL-UHFFFAOYSA-N -1 1 352.316 2.163 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)c1Cl ZINC000181017255 327712556 /nfs/dbraw/zinc/71/25/56/327712556.db2.gz JKXLFFHSSGQSCC-UHFFFAOYSA-N -1 1 358.851 2.124 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000182805639 327789482 /nfs/dbraw/zinc/78/94/82/327789482.db2.gz PFGHAFBMKFVVMD-SJKOYZFVSA-N -1 1 365.437 2.187 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000184893333 327888002 /nfs/dbraw/zinc/88/80/02/327888002.db2.gz RKHAJOLWTSUNSU-UHFFFAOYSA-N -1 1 372.446 2.469 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc1-c1ccccc1 ZINC000185049375 327896915 /nfs/dbraw/zinc/89/69/15/327896915.db2.gz HNVJOEWLVJFKER-STQMWFEESA-N -1 1 373.478 2.473 20 0 FEADMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000185269810 327909186 /nfs/dbraw/zinc/90/91/86/327909186.db2.gz SDMLOTDPIVNIIC-GKQMSVHHSA-N -1 1 369.668 2.103 20 0 FEADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000185419613 327915532 /nfs/dbraw/zinc/91/55/32/327915532.db2.gz XPVUIFNWRLBPOJ-HNNXBMFYSA-N -1 1 352.387 2.060 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000185636808 327925667 /nfs/dbraw/zinc/92/56/67/327925667.db2.gz IOYWBBZHYJJFFM-UHFFFAOYSA-N -1 1 371.422 2.241 20 0 FEADMM Cc1cc(S(=O)(=O)N[C@@H](C)CN2CCCCCC2)sc1C(=O)[O-] ZINC000187127555 328003527 /nfs/dbraw/zinc/00/35/27/328003527.db2.gz HAPGHBFRFMZNJA-LBPRGKRZSA-N -1 1 360.501 2.298 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000187192613 328008023 /nfs/dbraw/zinc/00/80/23/328008023.db2.gz GWFPGUJOBILZAL-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCCO)cc1 ZINC000187373244 328020638 /nfs/dbraw/zinc/02/06/38/328020638.db2.gz IQIYVARJJJKRRJ-UHFFFAOYSA-N -1 1 362.451 2.162 20 0 FEADMM O=S(=O)(Cc1ncc(-c2ccccc2F)o1)c1nc2ncncc2[n-]1 ZINC000187464658 328027559 /nfs/dbraw/zinc/02/75/59/328027559.db2.gz BIIGINJTFYQIGS-UHFFFAOYSA-N -1 1 359.342 2.121 20 0 FEADMM O=S(=O)(Cc1ncc(-c2ccccc2F)o1)c1nc2cncnc2[n-]1 ZINC000187464658 328027561 /nfs/dbraw/zinc/02/75/61/328027561.db2.gz BIIGINJTFYQIGS-UHFFFAOYSA-N -1 1 359.342 2.121 20 0 FEADMM O=S(=O)(Cc1ncc(-c2ccccc2F)o1)c1nc2c[n-]cnc-2n1 ZINC000187464658 328027563 /nfs/dbraw/zinc/02/75/63/328027563.db2.gz BIIGINJTFYQIGS-UHFFFAOYSA-N -1 1 359.342 2.121 20 0 FEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2[C@@H](C(=O)[O-])C[C@H]3CCCC[C@H]32)n[nH]1 ZINC000187551344 328032922 /nfs/dbraw/zinc/03/29/22/328032922.db2.gz FZYSTFUBXUJNHR-DAXOMENPSA-N -1 1 371.441 2.285 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@@H]1C ZINC000188048581 328062813 /nfs/dbraw/zinc/06/28/13/328062813.db2.gz SGWFOYGEZZSJIZ-GXSJLCMTSA-N -1 1 356.216 2.426 20 0 FEADMM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000188263030 328076628 /nfs/dbraw/zinc/07/66/28/328076628.db2.gz IZCOUWSSIXQEII-GFCCVEGCSA-N -1 1 359.369 2.294 20 0 FEADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000188896961 328116519 /nfs/dbraw/zinc/11/65/19/328116519.db2.gz FOWMKFJIYIRVDX-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]1CO ZINC000189504715 328151987 /nfs/dbraw/zinc/15/19/87/328151987.db2.gz VQOBRYMHDUUNDX-KDOFPFPSSA-N -1 1 374.462 2.330 20 0 FEADMM CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000189810737 328169293 /nfs/dbraw/zinc/16/92/93/328169293.db2.gz NCQKWZSPJJUCRX-OAHLLOKOSA-N -1 1 355.232 2.286 20 0 FEADMM O=C1CCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191864979 328285644 /nfs/dbraw/zinc/28/56/44/328285644.db2.gz FRGRCKKOHHILQW-UHFFFAOYSA-N -1 1 369.245 2.423 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)N1CCOCC1 ZINC000191876606 328286334 /nfs/dbraw/zinc/28/63/34/328286334.db2.gz PJORDHGVCXYRJY-SECBINFHSA-N -1 1 371.261 2.132 20 0 FEADMM NC(=O)CSc1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000193031750 328352932 /nfs/dbraw/zinc/35/29/32/328352932.db2.gz LGTZKUUGPWDLQL-UHFFFAOYSA-N -1 1 372.418 2.484 20 0 FEADMM COC(=O)c1cnc(S[C@H](C(N)=O)c2ccc(Br)cc2)[n-]1 ZINC000193557485 328381673 /nfs/dbraw/zinc/38/16/73/328381673.db2.gz RHTJNXYZPCKQFE-JTQLQIEISA-N -1 1 370.228 2.278 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000193557485 328381676 /nfs/dbraw/zinc/38/16/76/328381676.db2.gz RHTJNXYZPCKQFE-JTQLQIEISA-N -1 1 370.228 2.278 20 0 FEADMM O=C(NCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1Cl ZINC000042168883 324522238 /nfs/dbraw/zinc/52/22/38/324522238.db2.gz BGPHULOGABUGOT-UHFFFAOYSA-N -1 1 374.796 2.327 20 0 FEADMM Cc1nccc(CNC(=O)c2ccc(I)c([O-])c2)n1 ZINC000230889579 328487189 /nfs/dbraw/zinc/48/71/89/328487189.db2.gz SCBVMPKILJDXGX-UHFFFAOYSA-N -1 1 369.162 2.025 20 0 FEADMM O=S(=O)([N-]C1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1F ZINC000056090626 324796829 /nfs/dbraw/zinc/79/68/29/324796829.db2.gz YMTDROLKMRTGLW-UHFFFAOYSA-N -1 1 351.346 2.068 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000076937976 324970330 /nfs/dbraw/zinc/97/03/30/324970330.db2.gz VQFYLKUHWPWPQS-UHFFFAOYSA-N -1 1 366.464 2.237 20 0 FEADMM CCOCCCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078658075 325057073 /nfs/dbraw/zinc/05/70/73/325057073.db2.gz AFUOZSFKJMWWLO-HNNXBMFYSA-N -1 1 362.470 2.218 20 0 FEADMM CNC(=O)c1ccc(CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000078880013 325066156 /nfs/dbraw/zinc/06/61/56/325066156.db2.gz ILRUDAVAHYXBFV-UHFFFAOYSA-N -1 1 364.405 2.276 20 0 FEADMM CNC(=O)c1ccc(CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000078880013 325066158 /nfs/dbraw/zinc/06/61/58/325066158.db2.gz ILRUDAVAHYXBFV-UHFFFAOYSA-N -1 1 364.405 2.276 20 0 FEADMM O=C(c1cc(F)ccc1[O-])N1CCN(Cc2nccn2C(F)F)CC1 ZINC000080022066 325114182 /nfs/dbraw/zinc/11/41/82/325114182.db2.gz PNVYZXMJSNEYJP-UHFFFAOYSA-N -1 1 354.332 2.081 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000080925364 325148108 /nfs/dbraw/zinc/14/81/08/325148108.db2.gz ZAIRQNWWXSSJCA-UHFFFAOYSA-N -1 1 368.480 2.300 20 0 FEADMM CCNC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000081553801 325183043 /nfs/dbraw/zinc/18/30/43/325183043.db2.gz AUAGLYIZOIXMPT-UHFFFAOYSA-N -1 1 356.426 2.378 20 0 FEADMM C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3[O-])cn2)C[C@H](C)O1 ZINC000081941752 325203723 /nfs/dbraw/zinc/20/37/23/325203723.db2.gz KBLDQOUDYAFJQS-STQMWFEESA-N -1 1 359.401 2.470 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)co1 ZINC000089351208 325313308 /nfs/dbraw/zinc/31/33/08/325313308.db2.gz LCUFLKCEARZWFF-HUUCEWRRSA-N -1 1 372.487 2.291 20 0 FEADMM CC[C@@H](CSC)N(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000091146731 325375436 /nfs/dbraw/zinc/37/54/36/325375436.db2.gz MIFZYHDNZAYRKL-AWEZNQCLSA-N -1 1 360.483 2.283 20 0 FEADMM COc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000103940238 325529218 /nfs/dbraw/zinc/52/92/18/325529218.db2.gz IVCYOJVTOJZBDE-ZDUSSCGKSA-N -1 1 368.437 2.376 20 0 FEADMM CCn1ncc2ccc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)cc21 ZINC000104871862 325549147 /nfs/dbraw/zinc/54/91/47/325549147.db2.gz MNYWYGUYXSDHCL-UHFFFAOYSA-N -1 1 364.409 2.190 20 0 FEADMM CCCCOC(=O)CNC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000106827717 325612190 /nfs/dbraw/zinc/61/21/90/325612190.db2.gz OWQZMBHLHAIMBY-UHFFFAOYSA-N -1 1 354.457 2.129 20 0 FEADMM CCS[C@@H]1CCCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000112037629 325751695 /nfs/dbraw/zinc/75/16/95/325751695.db2.gz MTWNFPRVGKIPAI-CQSZACIVSA-N -1 1 362.499 2.316 20 0 FEADMM CCOc1cc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1C ZINC000114412273 325890368 /nfs/dbraw/zinc/89/03/68/325890368.db2.gz KAGJDQMEFCCBJU-UHFFFAOYSA-N -1 1 354.410 2.277 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)s1 ZINC000116601484 326027004 /nfs/dbraw/zinc/02/70/04/326027004.db2.gz UZGWXJGGXMXNDL-UHFFFAOYSA-N -1 1 352.485 2.004 20 0 FEADMM C[C@@H]1SCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)[C@H]1C ZINC000118289198 326087347 /nfs/dbraw/zinc/08/73/47/326087347.db2.gz DYOZVXGFAOJXCA-QWRGUYRKSA-N -1 1 360.501 2.322 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000118374922 326089724 /nfs/dbraw/zinc/08/97/24/326089724.db2.gz AHSMKBDMVSHGNJ-STQMWFEESA-N -1 1 358.467 2.035 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686115 326097186 /nfs/dbraw/zinc/09/71/86/326097186.db2.gz OTRGQAUIJKGSMV-ZLKJLUDKSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000118686115 326097188 /nfs/dbraw/zinc/09/71/88/326097188.db2.gz OTRGQAUIJKGSMV-ZLKJLUDKSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC2(CCOCC2)C1 ZINC000119318069 326149089 /nfs/dbraw/zinc/14/90/89/326149089.db2.gz HITRZZDULAXLBW-UHFFFAOYSA-N -1 1 356.216 2.176 20 0 FEADMM CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(Br)ccc2[O-])C1 ZINC000119580751 326177196 /nfs/dbraw/zinc/17/71/96/326177196.db2.gz RYYZEOHURGKWSF-LLVKDONJSA-N -1 1 355.232 2.095 20 0 FEADMM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000119962625 326216721 /nfs/dbraw/zinc/21/67/21/326216721.db2.gz UQTKNCVREPPICL-WDSKDSINSA-N -1 1 350.314 2.446 20 0 FEADMM C[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000120633668 326274552 /nfs/dbraw/zinc/27/45/52/326274552.db2.gz YRCURMNILKXGQC-LLVKDONJSA-N -1 1 368.842 2.251 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nc2ccccc2n1C ZINC000123720977 326441215 /nfs/dbraw/zinc/44/12/15/326441215.db2.gz VJMGHBUQQHIBEC-UHFFFAOYSA-N -1 1 353.426 2.193 20 0 FEADMM C[C@@H](O)CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000125575255 326474093 /nfs/dbraw/zinc/47/40/93/326474093.db2.gz MSSWYKVQMNHZES-CQSZACIVSA-N -1 1 362.451 2.330 20 0 FEADMM C[C@@H](O)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000126505118 326490228 /nfs/dbraw/zinc/49/02/28/326490228.db2.gz TVUPMVYOQJFKOI-GFCCVEGCSA-N -1 1 366.414 2.079 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000128332219 326521903 /nfs/dbraw/zinc/52/19/03/326521903.db2.gz KPLOWCGIWBRPPN-GDBMZVCRSA-N -1 1 358.442 2.012 20 0 FEADMM CC(C)(NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cn(-c2ccccc2)nn1 ZINC000128523671 326525184 /nfs/dbraw/zinc/52/51/84/326525184.db2.gz JPVHOAGJPDIWIL-UHFFFAOYSA-N -1 1 374.404 2.169 20 0 FEADMM O=C(NCc1cccc2c1OCCCO2)c1nc2ccccc2c(=O)[n-]1 ZINC000129719121 326545305 /nfs/dbraw/zinc/54/53/05/326545305.db2.gz DNKIHLVVPDILOC-UHFFFAOYSA-N -1 1 351.362 2.014 20 0 FEADMM CCCC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000131364883 326573386 /nfs/dbraw/zinc/57/33/86/326573386.db2.gz FEDMMEQLBKIKEQ-UHFFFAOYSA-N -1 1 364.464 2.056 20 0 FEADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H]1CCCO1 ZINC000133053956 326602272 /nfs/dbraw/zinc/60/22/72/326602272.db2.gz TXFFMWIZTCYIOV-VXGBXAGGSA-N -1 1 358.460 2.044 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1sccc1Br ZINC000136006992 326649021 /nfs/dbraw/zinc/64/90/21/326649021.db2.gz FOUSBVYBZJKJEW-NXEZZACHSA-N -1 1 354.291 2.483 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000153220541 326727372 /nfs/dbraw/zinc/72/73/72/326727372.db2.gz NNTMVAMUPBSGDU-SKDRFNHKSA-N -1 1 357.334 2.179 20 0 FEADMM CC(C)c1nncn1CCNC(=O)c1cc(Br)ccc1[O-] ZINC000156196609 326821362 /nfs/dbraw/zinc/82/13/62/326821362.db2.gz YULKNJLGENXNQS-UHFFFAOYSA-N -1 1 353.220 2.300 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)N(CC(=O)[O-])c3ccccc3)c2)CC1 ZINC000156355820 326827921 /nfs/dbraw/zinc/82/79/21/326827921.db2.gz FNLZQXCYUCIMOU-UHFFFAOYSA-N -1 1 367.449 2.165 20 0 FEADMM C[C@@]1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCOC1 ZINC000156640651 326839094 /nfs/dbraw/zinc/83/90/94/326839094.db2.gz WGFCOVNXOLQKRU-GOSISDBHSA-N -1 1 360.435 2.396 20 0 FEADMM C[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000158242615 326889716 /nfs/dbraw/zinc/88/97/16/326889716.db2.gz OSJBYPCKKIFKLU-AWEZNQCLSA-N -1 1 366.483 2.264 20 0 FEADMM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000161574074 327003325 /nfs/dbraw/zinc/00/33/25/327003325.db2.gz DXIGGOQASUDWHL-UHFFFAOYSA-N -1 1 362.386 2.334 20 0 FEADMM Cn1cnnc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000163089527 327042573 /nfs/dbraw/zinc/04/25/73/327042573.db2.gz OCFSCVWEKVXWKC-UHFFFAOYSA-N -1 1 373.319 2.304 20 0 FEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000164600432 327072429 /nfs/dbraw/zinc/07/24/29/327072429.db2.gz HEQXOYGTYCEREM-VIFPVBQESA-N -1 1 370.331 2.317 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 ZINC000171290218 327130131 /nfs/dbraw/zinc/13/01/31/327130131.db2.gz WIMLDTPJZJYYEH-TVQRCGJNSA-N -1 1 354.414 2.470 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)c1 ZINC000171334320 327132859 /nfs/dbraw/zinc/13/28/59/327132859.db2.gz IFLRJVFWAIZUAD-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM CCN(c1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1)C(C)C ZINC000171772895 327160839 /nfs/dbraw/zinc/16/08/39/327160839.db2.gz QPXJUEKCORZDIF-UHFFFAOYSA-N -1 1 364.471 2.160 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc21 ZINC000172275675 327192215 /nfs/dbraw/zinc/19/22/15/327192215.db2.gz PJVCTMUOMIBBAH-UHFFFAOYSA-N -1 1 358.419 2.098 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc(C)c1F ZINC000172883644 327224648 /nfs/dbraw/zinc/22/46/48/327224648.db2.gz DSLQDGQJNFGMRF-UHFFFAOYSA-N -1 1 372.443 2.032 20 0 FEADMM COc1cc2nc(-c3ccc(-n4cncn4)c(C)c3)[n-]c(=O)c2cc1OC ZINC000172996990 327228937 /nfs/dbraw/zinc/22/89/37/327228937.db2.gz QFZKDROJJLFFOP-UHFFFAOYSA-N -1 1 363.377 2.496 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1NCCC(N)=O ZINC000174267092 327316228 /nfs/dbraw/zinc/31/62/28/327316228.db2.gz HQEMXQBBZNBWBD-UHFFFAOYSA-N -1 1 351.403 2.222 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCS[C@H](C(C)C)C2)c(=O)[n-]1 ZINC000174279888 327317088 /nfs/dbraw/zinc/31/70/88/327317088.db2.gz NYUCQPSRMXEJBO-ZDUSSCGKSA-N -1 1 355.529 2.333 20 0 FEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000174423441 327326443 /nfs/dbraw/zinc/32/64/43/327326443.db2.gz OKHXKZDYMUYMGF-UONOGXRCSA-N -1 1 362.499 2.315 20 0 FEADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000174508820 327331476 /nfs/dbraw/zinc/33/14/76/327331476.db2.gz UFJLDYCVTJSLJR-LLVKDONJSA-N -1 1 359.348 2.050 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCS1 ZINC000174771015 327350084 /nfs/dbraw/zinc/35/00/84/327350084.db2.gz GAYBLRFVODPVKP-CQSZACIVSA-N -1 1 358.467 2.037 20 0 FEADMM CO[C@@]1(C)C[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000174822562 327353415 /nfs/dbraw/zinc/35/34/15/327353415.db2.gz PUGSXIPDOZTKBQ-PXAZEXFGSA-N -1 1 353.488 2.053 20 0 FEADMM O=C(NC[C@@H]1CCCO1)c1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000175206202 327379827 /nfs/dbraw/zinc/37/98/27/327379827.db2.gz CIXLPXAFIYMZBK-INIZCTEOSA-N -1 1 372.396 2.370 20 0 FEADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175222328 327380875 /nfs/dbraw/zinc/38/08/75/327380875.db2.gz ARMNRXQIBWJBFB-JTQLQIEISA-N -1 1 350.419 2.451 20 0 FEADMM COc1ccc(CN2CC[C@H](NC(=O)c3cc(F)ccc3[O-])C2=O)cc1 ZINC000175239073 327382009 /nfs/dbraw/zinc/38/20/09/327382009.db2.gz IOQMUTMNAXQOCB-INIZCTEOSA-N -1 1 358.369 2.071 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000175775028 327412059 /nfs/dbraw/zinc/41/20/59/327412059.db2.gz QGPQVEBKTYSIDO-UHFFFAOYSA-N -1 1 360.313 2.327 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)c1 ZINC000176472779 327457726 /nfs/dbraw/zinc/45/77/26/327457726.db2.gz ZITIVHRYJZPTCF-UHFFFAOYSA-N -1 1 362.451 2.162 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000178355275 327580061 /nfs/dbraw/zinc/58/00/61/327580061.db2.gz JBQZUMSWKKZGIY-BEFAXECRSA-N -1 1 360.458 2.042 20 0 FEADMM O=C(N[C@@H]1CCC[C@H]1O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000178626968 327596716 /nfs/dbraw/zinc/59/67/16/327596716.db2.gz AXBWGYYWIRLCFJ-IAGOWNOFSA-N -1 1 360.435 2.131 20 0 FEADMM CC[C@@H](C)[C@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000178726738 327602671 /nfs/dbraw/zinc/60/26/71/327602671.db2.gz OBRMVDGNMPTTND-PRHODGIISA-N -1 1 363.195 2.134 20 0 FEADMM COc1cccc(OC)c1OC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000263668875 328950530 /nfs/dbraw/zinc/95/05/30/328950530.db2.gz KIKRJWJVGAZCOC-UHFFFAOYSA-N -1 1 358.394 2.488 20 0 FEADMM CC(C)n1c([S-])nnc1CCNC(=O)c1cc2ccccc2oc1=O ZINC000264308866 329009054 /nfs/dbraw/zinc/00/90/54/329009054.db2.gz BUPZXXQWYZQASF-UHFFFAOYSA-N -1 1 358.423 2.227 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(C[C@@H]2CCCO2)no1 ZINC000264601997 329039781 /nfs/dbraw/zinc/03/97/81/329039781.db2.gz LUAJPHOWHVCUFP-ZDUSSCGKSA-N -1 1 353.382 2.248 20 0 FEADMM COc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1[N-]S(C)(=O)=O ZINC000264754182 329057035 /nfs/dbraw/zinc/05/70/35/329057035.db2.gz OZSDKRZVBWJHHB-UHFFFAOYSA-N -1 1 353.404 2.051 20 0 FEADMM CN(C(=O)CSc1ccccc1C(=O)Nc1nnn[n-]1)C1CCCCC1 ZINC000265442860 329127312 /nfs/dbraw/zinc/12/73/12/329127312.db2.gz JCBDDJDVYWKEPU-UHFFFAOYSA-N -1 1 374.470 2.335 20 0 FEADMM CN(C(=O)CSc1ccccc1C(=O)Nc1nn[n-]n1)C1CCCCC1 ZINC000265442860 329127314 /nfs/dbraw/zinc/12/73/14/329127314.db2.gz JCBDDJDVYWKEPU-UHFFFAOYSA-N -1 1 374.470 2.335 20 0 FEADMM CCOC(=O)[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@@H](C)CC ZINC000266328394 329212042 /nfs/dbraw/zinc/21/20/42/329212042.db2.gz TXTDWYIMCNHLOG-IINYFYTJSA-N -1 1 369.487 2.239 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000266605362 329241036 /nfs/dbraw/zinc/24/10/36/329241036.db2.gz QHTQTCHBIJJFIN-UHFFFAOYSA-N -1 1 353.400 2.047 20 0 FEADMM CCC1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCOCC1 ZINC000266640846 329244991 /nfs/dbraw/zinc/24/49/91/329244991.db2.gz BXZOXHDBWUHPTD-UHFFFAOYSA-N -1 1 353.488 2.468 20 0 FEADMM COC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccco1 ZINC000266908958 329271832 /nfs/dbraw/zinc/27/18/32/329271832.db2.gz KRQZKZOBAPLAQO-OAHLLOKOSA-N -1 1 368.393 2.192 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000267025480 329284582 /nfs/dbraw/zinc/28/45/82/329284582.db2.gz QPVFQPHWWAPYJE-UHFFFAOYSA-N -1 1 372.450 2.269 20 0 FEADMM CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000267088250 329290651 /nfs/dbraw/zinc/29/06/51/329290651.db2.gz HWGYWYWNHWWOER-INIZCTEOSA-N -1 1 361.438 2.420 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@](C)(O)C3)c2)cc1 ZINC000267293802 329311453 /nfs/dbraw/zinc/31/14/53/329311453.db2.gz ZQLLMZLYARCUBM-LJQANCHMSA-N -1 1 374.462 2.393 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccco1 ZINC000268104753 329385777 /nfs/dbraw/zinc/38/57/77/329385777.db2.gz CTYGISWLHKPUGB-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM COc1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000268508597 329428480 /nfs/dbraw/zinc/42/84/80/329428480.db2.gz BWQLGNOEUKHVQT-LLVKDONJSA-N -1 1 371.459 2.003 20 0 FEADMM O=C([N-]N1CCCCC1=O)c1cc(I)ccc1F ZINC000268570295 329435767 /nfs/dbraw/zinc/43/57/67/329435767.db2.gz RDFARRXHWRPFQK-UHFFFAOYSA-N -1 1 362.142 2.088 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@@H]2CSC)cc1[N-]S(C)(=O)=O ZINC000269121957 329487951 /nfs/dbraw/zinc/48/79/51/329487951.db2.gz JRMWYXIAKKEWQO-GFCCVEGCSA-N -1 1 373.500 2.426 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000270119961 329576129 /nfs/dbraw/zinc/57/61/29/329576129.db2.gz QYAXNMBUJVAIBC-RDJZCZTQSA-N -1 1 370.453 2.105 20 0 FEADMM CCN(CCCO)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000270156905 329578585 /nfs/dbraw/zinc/57/85/85/329578585.db2.gz HNXGPOJGQPFNEY-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM COc1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1[N-]S(C)(=O)=O ZINC000270207312 329582325 /nfs/dbraw/zinc/58/23/25/329582325.db2.gz MVNDJIHJUDTQJU-NSHDSACASA-N -1 1 359.473 2.036 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCOCC12CCCC2 ZINC000270819788 329634994 /nfs/dbraw/zinc/63/49/94/329634994.db2.gz ZGLULESJIGQUNQ-UHFFFAOYSA-N -1 1 368.437 2.267 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000271331501 329684634 /nfs/dbraw/zinc/68/46/34/329684634.db2.gz BAQJRFCEZOJFBO-HOCLYGCPSA-N -1 1 360.458 2.304 20 0 FEADMM C[C@H](O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000271419284 329692400 /nfs/dbraw/zinc/69/24/00/329692400.db2.gz YKTYSYUJODFZNZ-ZDUSSCGKSA-N -1 1 362.451 2.377 20 0 FEADMM CN1CCc2ccc([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)cc21 ZINC000271820610 329728079 /nfs/dbraw/zinc/72/80/79/329728079.db2.gz CFOUJFZMOXRYOZ-UHFFFAOYSA-N -1 1 371.462 2.372 20 0 FEADMM O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)[N-]OC1CCCC1 ZINC000271830933 329728915 /nfs/dbraw/zinc/72/89/15/329728915.db2.gz RSSYJAQGVZWAJJ-UHFFFAOYSA-N -1 1 358.485 2.066 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000272518987 329787328 /nfs/dbraw/zinc/78/73/28/329787328.db2.gz RQCHVDBLZUYIHQ-DOTOQJQBSA-N -1 1 370.453 2.105 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@H](C)OC)c1 ZINC000272849093 329817595 /nfs/dbraw/zinc/81/75/95/329817595.db2.gz HONZCSUQGPNKFV-LBPRGKRZSA-N -1 1 358.460 2.176 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cn1 ZINC000273370939 329859552 /nfs/dbraw/zinc/85/95/52/329859552.db2.gz CVKTXBXYMSHPHM-UHFFFAOYSA-N -1 1 364.427 2.002 20 0 FEADMM COCCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000273655873 329882048 /nfs/dbraw/zinc/88/20/48/329882048.db2.gz BPBNIEBTMGDJKZ-UHFFFAOYSA-N -1 1 370.471 2.178 20 0 FEADMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000275081203 330008387 /nfs/dbraw/zinc/00/83/87/330008387.db2.gz YATFQJLWLQLWPW-UHFFFAOYSA-N -1 1 364.379 2.369 20 0 FEADMM COc1ccc(NC(=O)NOCCC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000275195995 330020833 /nfs/dbraw/zinc/02/08/33/330020833.db2.gz HBKMKFAHDYSVKR-UHFFFAOYSA-N -1 1 371.337 2.072 20 0 FEADMM O=S(=O)([N-]CCN1CCCOCC1)c1cc(Cl)sc1Cl ZINC000275497238 330055767 /nfs/dbraw/zinc/05/57/67/330055767.db2.gz QMPBKXMYIKJQDY-UHFFFAOYSA-N -1 1 359.300 2.056 20 0 FEADMM COCCOCCOCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000276164910 330125458 /nfs/dbraw/zinc/12/54/58/330125458.db2.gz FERRBBGHJOLKGF-UHFFFAOYSA-N -1 1 365.348 2.163 20 0 FEADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000276457268 330153813 /nfs/dbraw/zinc/15/38/13/330153813.db2.gz OFBVFHFBLKYLRK-ZETCQYMHSA-N -1 1 363.340 2.265 20 0 FEADMM O=S(=O)([N-]C1(CO)CCC1)c1cc(Br)sc1Cl ZINC000331769313 330199562 /nfs/dbraw/zinc/19/95/62/330199562.db2.gz LDIFWQJYCUDEOX-UHFFFAOYSA-N -1 1 360.682 2.357 20 0 FEADMM O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cccc(=O)n1[O-] ZINC000367128061 330220308 /nfs/dbraw/zinc/22/03/08/330220308.db2.gz WTAZFOCOJWUDNI-IBGZPJMESA-N -1 1 360.373 2.481 20 0 FEADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)o1 ZINC000805028305 674313799 /nfs/dbraw/zinc/31/37/99/674313799.db2.gz BTKHOLVVZGPJAU-UHFFFAOYSA-N -1 1 362.766 2.122 20 0 FEADMM CO[C@H](C)c1nc(=N[C@H](CN2CCN(C)CC2)c2ccccc2)s[n-]1 ZINC000554686567 674330319 /nfs/dbraw/zinc/33/03/19/674330319.db2.gz KZIXZOCUPFBJHD-GDBMZVCRSA-N -1 1 361.515 2.068 20 0 FEADMM CCCCCCNC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788231 674353920 /nfs/dbraw/zinc/35/39/20/674353920.db2.gz CLZFROISIVIRDC-YDHLFZDLSA-N -1 1 365.440 2.460 20 0 FEADMM CC(C)Cn1ncnc1CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785646 674354044 /nfs/dbraw/zinc/35/40/44/674354044.db2.gz LAZDBRFQUVOIFA-OBJOEFQTSA-N -1 1 361.412 2.212 20 0 FEADMM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC(C)(F)F)s1 ZINC000555408007 674359550 /nfs/dbraw/zinc/35/95/50/674359550.db2.gz XIJAQYAFRUPJDE-UHFFFAOYSA-N -1 1 368.471 2.386 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)[C@H]1n1cccn1 ZINC000555474576 674363586 /nfs/dbraw/zinc/36/35/86/674363586.db2.gz XHXALMGCYKIIES-MGPQQGTHSA-N -1 1 373.837 2.373 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000555528958 674364819 /nfs/dbraw/zinc/36/48/19/674364819.db2.gz YNHSQLSZESZHLK-SNVBAGLBSA-N -1 1 360.395 2.440 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2Cc3cccc(O)c3C2)c(=O)[n-]1 ZINC000555689474 674372402 /nfs/dbraw/zinc/37/24/02/674372402.db2.gz LEDFGKSIQPKMAK-GFCCVEGCSA-N -1 1 359.451 2.134 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2Cc3cccc(O)c3C2)c(=O)[n-]1 ZINC000555689475 674372462 /nfs/dbraw/zinc/37/24/62/674372462.db2.gz LEDFGKSIQPKMAK-LBPRGKRZSA-N -1 1 359.451 2.134 20 0 FEADMM O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155510376 545535680 /nfs/dbraw/zinc/53/56/80/545535680.db2.gz GAFPEMOINKDZSI-AWEZNQCLSA-N -1 1 350.382 2.407 20 0 FEADMM CCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1nnc2ccccn21 ZINC000155580947 545545808 /nfs/dbraw/zinc/54/58/08/545545808.db2.gz JXNLEPUYBAVKFC-AWEZNQCLSA-N -1 1 362.393 2.237 20 0 FEADMM O=S(=O)(Cc1n[nH]c(C2CC2)n1)c1n[n-]c(=NC2CCCCC2)s1 ZINC000478848547 538764644 /nfs/dbraw/zinc/76/46/44/538764644.db2.gz ATRTYHFBQWGEOT-UHFFFAOYSA-N -1 1 368.488 2.252 20 0 FEADMM COC1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCC(C)CC1 ZINC000477296110 561141483 /nfs/dbraw/zinc/14/14/83/561141483.db2.gz KGMFFFDHYRTSCC-UHFFFAOYSA-N -1 1 360.458 2.306 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000477372531 561143511 /nfs/dbraw/zinc/14/35/11/561143511.db2.gz KSQSLUQYZFIWJV-UHFFFAOYSA-N -1 1 370.192 2.402 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478295812 561163768 /nfs/dbraw/zinc/16/37/68/561163768.db2.gz TVFBTBIGDHUQQF-UKRRQHHQSA-N -1 1 357.385 2.109 20 0 FEADMM CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC000478674354 561172477 /nfs/dbraw/zinc/17/24/77/561172477.db2.gz KLKZUHFSXFAANC-JTQLQIEISA-N -1 1 365.411 2.498 20 0 FEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc2ncsc2c1 ZINC000479131593 561182260 /nfs/dbraw/zinc/18/22/60/561182260.db2.gz PHUBPIREHMYXBH-UHFFFAOYSA-N -1 1 358.408 2.073 20 0 FEADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc21 ZINC000479145354 561182676 /nfs/dbraw/zinc/18/26/76/561182676.db2.gz SBZAGHZAIFUXPF-UHFFFAOYSA-N -1 1 373.419 2.072 20 0 FEADMM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2cn[nH]c2)c1)N1CCCCC1 ZINC000171013146 546185714 /nfs/dbraw/zinc/18/57/14/546185714.db2.gz NSZJMQVRTGAXDY-UHFFFAOYSA-N -1 1 368.846 2.490 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1)OCO2 ZINC000479240093 561185640 /nfs/dbraw/zinc/18/56/40/561185640.db2.gz JCKRIMMNERAJBM-UHFFFAOYSA-N -1 1 368.798 2.277 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000479566012 561192063 /nfs/dbraw/zinc/19/20/63/561192063.db2.gz VFPYUMCVROAFQC-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1csc(-c2nc[nH]n2)n1 ZINC000479770892 561196823 /nfs/dbraw/zinc/19/68/23/561196823.db2.gz TXZKVLMQQAMJQM-UHFFFAOYSA-N -1 1 374.336 2.244 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000175935765 546376220 /nfs/dbraw/zinc/37/62/20/546376220.db2.gz ZNKJFPFNDDBVEB-UHFFFAOYSA-N -1 1 358.467 2.071 20 0 FEADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ncccc1F ZINC000480228857 561205416 /nfs/dbraw/zinc/20/54/16/561205416.db2.gz JSGDWTBNRNTEIZ-UHFFFAOYSA-N -1 1 361.354 2.356 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)c1 ZINC000176698128 546477431 /nfs/dbraw/zinc/47/74/31/546477431.db2.gz FQLOMZREIXGEJK-UHFFFAOYSA-N -1 1 366.414 2.047 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(CC(C)C)cc2)n1 ZINC000176720841 546479925 /nfs/dbraw/zinc/47/99/25/546479925.db2.gz QRRYGSMZIJKQDD-UHFFFAOYSA-N -1 1 350.444 2.298 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000176845365 546496239 /nfs/dbraw/zinc/49/62/39/546496239.db2.gz MRXRYRVHLVDAPA-MRXNPFEDSA-N -1 1 363.417 2.397 20 0 FEADMM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(C4CCCC4)CC3)n2)cc1 ZINC000177035044 546529682 /nfs/dbraw/zinc/52/96/82/546529682.db2.gz VRLDWRVBHANXSJ-UHFFFAOYSA-N -1 1 370.453 2.287 20 0 FEADMM Cc1cc2n[nH]cc2cc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000481318894 561230690 /nfs/dbraw/zinc/23/06/90/561230690.db2.gz GTESMRFBLNFFAV-UHFFFAOYSA-N -1 1 350.382 2.418 20 0 FEADMM Cc1cc(C(=O)Nc2n[nH]c3c2cccc3Cl)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000178590207 546816637 /nfs/dbraw/zinc/81/66/37/546816637.db2.gz NTAKEHRXHOHLGC-UHFFFAOYSA-N -1 1 370.756 2.114 20 0 FEADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000481700018 561239003 /nfs/dbraw/zinc/23/90/03/561239003.db2.gz ANEJIMNPYMPXFO-SUMWQHHRSA-N -1 1 352.456 2.454 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC1CCC(c2ccccc2)CC1 ZINC000481805271 561242789 /nfs/dbraw/zinc/24/27/89/561242789.db2.gz HQOLPILYTLUYSN-UHFFFAOYSA-N -1 1 353.422 2.360 20 0 FEADMM Cc1cc(OCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])ccc1Cl ZINC000481830897 561243448 /nfs/dbraw/zinc/24/34/48/561243448.db2.gz NTUZFFJRBZLSRB-UHFFFAOYSA-N -1 1 370.814 2.019 20 0 FEADMM C[C@@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cccc(F)c1 ZINC000179537035 546973064 /nfs/dbraw/zinc/97/30/64/546973064.db2.gz APLYDDLKVPBBJO-JTQLQIEISA-N -1 1 352.387 2.311 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000179538469 546973281 /nfs/dbraw/zinc/97/32/81/546973281.db2.gz FLWXHNWVSBOUJU-JQWIXIFHSA-N -1 1 368.361 2.060 20 0 FEADMM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179539412 546973573 /nfs/dbraw/zinc/97/35/73/546973573.db2.gz OXUFLJBAEGKHSW-LLVKDONJSA-N -1 1 366.414 2.386 20 0 FEADMM CCn1cc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c2ccccc21 ZINC000179540267 546974153 /nfs/dbraw/zinc/97/41/53/546974153.db2.gz LQVKPRYEWRDVOD-UHFFFAOYSA-N -1 1 373.434 2.195 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000179541596 546974481 /nfs/dbraw/zinc/97/44/81/546974481.db2.gz BGQLMKSJUGJJQI-MNOVXSKESA-N -1 1 368.361 2.060 20 0 FEADMM Cc1nc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)no1 ZINC000180523738 547124216 /nfs/dbraw/zinc/12/42/16/547124216.db2.gz LQDPKDFTRRUPMS-UHFFFAOYSA-N -1 1 370.331 2.060 20 0 FEADMM CC[C@@H](C)n1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1C ZINC000482805368 561260468 /nfs/dbraw/zinc/26/04/68/561260468.db2.gz XOYIPMHQFIOXJK-SECBINFHSA-N -1 1 356.386 2.473 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482870525 561261730 /nfs/dbraw/zinc/26/17/30/561261730.db2.gz XKEJHDTYAQQIMD-CHWSQXEVSA-N -1 1 357.385 2.109 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1-n1cnnn1 ZINC000181088743 547246816 /nfs/dbraw/zinc/24/68/16/547246816.db2.gz SBPVCPPXJHJTAN-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c2=O ZINC000182127989 547442317 /nfs/dbraw/zinc/44/23/17/547442317.db2.gz HQPSIKYKVUPUOQ-FZMZJTMJSA-N -1 1 372.450 2.464 20 0 FEADMM O=c1cc(CN2CCNC(=O)[C@H]2c2ccccc2)c2ccc([O-])cc2o1 ZINC000182669427 547530309 /nfs/dbraw/zinc/53/03/09/547530309.db2.gz SGJDTIOCPXOIFM-LJQANCHMSA-N -1 1 350.374 2.172 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nn[n-]n1 ZINC000183394896 547649429 /nfs/dbraw/zinc/64/94/29/547649429.db2.gz LADHMTKFQPGEJA-CYBMUJFWSA-N -1 1 364.409 2.328 20 0 FEADMM Cc1ccc(OCc2cccc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2)cn1 ZINC000183414197 547654043 /nfs/dbraw/zinc/65/40/43/547654043.db2.gz XSZOMMNOVSADRR-ZDUSSCGKSA-N -1 1 366.425 2.358 20 0 FEADMM Cc1nn(CC(C)C)c(Cl)c1C=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183418000 547655668 /nfs/dbraw/zinc/65/56/68/547655668.db2.gz OJCAPKOYIKAPMT-XUIVZRPNSA-N -1 1 365.869 2.289 20 0 FEADMM CCC[C@@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nn[n-]n1 ZINC000183482965 547668051 /nfs/dbraw/zinc/66/80/51/547668051.db2.gz LLNSNUWMSIVGOO-GFCCVEGCSA-N -1 1 350.810 2.308 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1 ZINC000484667218 561302903 /nfs/dbraw/zinc/30/29/03/561302903.db2.gz ZOQBQFNJKPKRBL-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000183996090 547751242 /nfs/dbraw/zinc/75/12/42/547751242.db2.gz QBKBKEFQUBIATB-GDBMZVCRSA-N -1 1 360.458 2.241 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1F ZINC000485080058 561312154 /nfs/dbraw/zinc/31/21/54/561312154.db2.gz QNQMREOVHLDXLI-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000184914787 547899187 /nfs/dbraw/zinc/89/91/87/547899187.db2.gz XVBWVGZBRBLBCI-GXTWGEPZSA-N -1 1 354.472 2.092 20 0 FEADMM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184958523 547907283 /nfs/dbraw/zinc/90/72/83/547907283.db2.gz GQFYCRXNBTUSTB-IJLUTSLNSA-N -1 1 360.501 2.091 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc1-c1ccccc1 ZINC000185049359 547923857 /nfs/dbraw/zinc/92/38/57/547923857.db2.gz HNVJOEWLVJFKER-CHWSQXEVSA-N -1 1 373.478 2.473 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185103874 547933585 /nfs/dbraw/zinc/93/35/85/547933585.db2.gz FOSBTMBVCOIABN-SKDRFNHKSA-N -1 1 372.874 2.250 20 0 FEADMM CC(C)N(CC(N)=O)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485576346 561323049 /nfs/dbraw/zinc/32/30/49/561323049.db2.gz KLCYLZLLEYOPEA-UHFFFAOYSA-N -1 1 366.215 2.039 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)o1 ZINC000185792608 548035324 /nfs/dbraw/zinc/03/53/24/548035324.db2.gz DYMLPBOOZCGIEB-UHFFFAOYSA-N -1 1 374.340 2.409 20 0 FEADMM Cc1cc(Br)cc(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000485627245 561324346 /nfs/dbraw/zinc/32/43/46/561324346.db2.gz LYVVNAXCIMOXJK-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)on1 ZINC000485896427 561331630 /nfs/dbraw/zinc/33/16/30/561331630.db2.gz GMGSWNKITWMUOJ-UHFFFAOYSA-N -1 1 357.819 2.003 20 0 FEADMM COc1ccc(F)cc1CN1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000189623122 548306596 /nfs/dbraw/zinc/30/65/96/548306596.db2.gz PMUVWSBEZMGGRK-UHFFFAOYSA-N -1 1 369.400 2.064 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)co1 ZINC000486289040 561343304 /nfs/dbraw/zinc/34/33/04/561343304.db2.gz AXBGPCPUKLLMFF-UHFFFAOYSA-N -1 1 362.407 2.423 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c(C)c1 ZINC000486493666 561348926 /nfs/dbraw/zinc/34/89/26/561348926.db2.gz GZTWQHKQJDVGHM-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1 ZINC000486541490 561350281 /nfs/dbraw/zinc/35/02/81/561350281.db2.gz QBJQGPYLLSYLKK-UHFFFAOYSA-N -1 1 350.396 2.463 20 0 FEADMM Cc1cc(CS(=O)(=O)c2nnc(COc3ccc(Cl)cc3)[n-]2)no1 ZINC000195118396 548579249 /nfs/dbraw/zinc/57/92/49/548579249.db2.gz NJJQFEUARKYQLT-UHFFFAOYSA-N -1 1 368.802 2.307 20 0 FEADMM Cc1cc(CS(=O)(=O)c2n[n-]c(COc3ccc(Cl)cc3)n2)no1 ZINC000195118396 548579252 /nfs/dbraw/zinc/57/92/52/548579252.db2.gz NJJQFEUARKYQLT-UHFFFAOYSA-N -1 1 368.802 2.307 20 0 FEADMM C[C@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195164647 548587481 /nfs/dbraw/zinc/58/74/81/548587481.db2.gz ONKMWHSWNOPQDQ-SNVBAGLBSA-N -1 1 367.479 2.129 20 0 FEADMM C[C@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195164647 548587482 /nfs/dbraw/zinc/58/74/82/548587482.db2.gz ONKMWHSWNOPQDQ-SNVBAGLBSA-N -1 1 367.479 2.129 20 0 FEADMM C[C@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195164647 548587485 /nfs/dbraw/zinc/58/74/85/548587485.db2.gz ONKMWHSWNOPQDQ-SNVBAGLBSA-N -1 1 367.479 2.129 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000488616424 561393177 /nfs/dbraw/zinc/39/31/77/561393177.db2.gz HNNVHLVPSDFAHW-CYBMUJFWSA-N -1 1 359.813 2.187 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000246744957 549201999 /nfs/dbraw/zinc/20/19/99/549201999.db2.gz WXXMQGVQHCLKEP-BNMUBRSASA-N -1 1 369.430 2.462 20 0 FEADMM CCc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000248864448 549516442 /nfs/dbraw/zinc/51/64/42/549516442.db2.gz HFKZBKSZBYKTSY-ZIAGYGMSSA-N -1 1 368.499 2.346 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000261716818 549746642 /nfs/dbraw/zinc/74/66/42/549746642.db2.gz QEGNHXILKVOUNA-CQSZACIVSA-N -1 1 354.435 2.070 20 0 FEADMM CCOc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000262679729 549838173 /nfs/dbraw/zinc/83/81/73/549838173.db2.gz SFWRAFAOQLCXTP-HIFRSBDPSA-N -1 1 364.442 2.068 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000262814965 549852989 /nfs/dbraw/zinc/85/29/89/549852989.db2.gz DRLDRMJWGVKPJV-GOSISDBHSA-N -1 1 361.373 2.169 20 0 FEADMM Cc1cccc(N2CCN(CCCNc3cnc(C(=O)[O-])cn3)CC2)c1 ZINC000263428212 549900718 /nfs/dbraw/zinc/90/07/18/549900718.db2.gz RVMDIGPDTIWXTO-UHFFFAOYSA-N -1 1 355.442 2.107 20 0 FEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000263435274 549901245 /nfs/dbraw/zinc/90/12/45/549901245.db2.gz ZSIYMHWYOOVJTM-HUUCEWRRSA-N -1 1 356.426 2.042 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000490870681 561439463 /nfs/dbraw/zinc/43/94/63/561439463.db2.gz IYDHQVQOBKYONL-GHMZBOCLSA-N -1 1 359.348 2.002 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000268545729 550085425 /nfs/dbraw/zinc/08/54/25/550085425.db2.gz BIUIETLLIBPZMF-JTQLQIEISA-N -1 1 371.821 2.468 20 0 FEADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(C)nc2)ccc1OC ZINC000269692854 550217650 /nfs/dbraw/zinc/21/76/50/550217650.db2.gz JNINSYMXBCVNGD-UHFFFAOYSA-N -1 1 363.439 2.226 20 0 FEADMM CCN(CC)C(=O)CSCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000269756203 550223091 /nfs/dbraw/zinc/22/30/91/550223091.db2.gz UNIZONZNICVXCW-UHFFFAOYSA-N -1 1 374.409 2.146 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@H](C)Oc3ncccc32)c(=O)[n-]1 ZINC000269940177 550237706 /nfs/dbraw/zinc/23/77/06/550237706.db2.gz ZQJCTLYZDWHYMA-JTQLQIEISA-N -1 1 360.439 2.354 20 0 FEADMM CC[C@H](NC(=O)c1cncc([O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270078999 550247723 /nfs/dbraw/zinc/24/77/23/550247723.db2.gz DHXSQHKQZKQKDD-ZWKOTPCHSA-N -1 1 351.410 2.485 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1ccc(F)cc1[O-] ZINC000270375926 550266777 /nfs/dbraw/zinc/26/67/77/550266777.db2.gz NGWMAOAODZAUGU-ZLDLUXBVSA-N -1 1 353.419 2.196 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1O ZINC000270486670 550277093 /nfs/dbraw/zinc/27/70/93/550277093.db2.gz AMTHMSWQOWMCKT-RDTXWAMCSA-N -1 1 374.462 2.330 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000270580099 550285730 /nfs/dbraw/zinc/28/57/30/550285730.db2.gz FMXSSYHZEXQSDX-MRXNPFEDSA-N -1 1 356.422 2.414 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)cc1)c1cccs1 ZINC000493951834 561459811 /nfs/dbraw/zinc/45/98/11/561459811.db2.gz DVFJCYVHEIHVQW-CQSZACIVSA-N -1 1 354.453 2.007 20 0 FEADMM CCOc1ccc(-c2nc(C)c(C(=O)[N-]N3CC(=O)N(C)C3=O)s2)cc1 ZINC000271283158 550361230 /nfs/dbraw/zinc/36/12/30/550361230.db2.gz OLJZJKQNBUIGKN-UHFFFAOYSA-N -1 1 374.422 2.056 20 0 FEADMM CC[C@H](O)CCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271459157 550377039 /nfs/dbraw/zinc/37/70/39/550377039.db2.gz SWGFVLBOPWYSTD-JTQLQIEISA-N -1 1 364.320 2.394 20 0 FEADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000271973544 550414109 /nfs/dbraw/zinc/41/41/09/550414109.db2.gz NFGFBXNUQNZQSL-MZPVMMEZSA-N -1 1 370.453 2.271 20 0 FEADMM C[C@@H]1CN(Cc2csc(NC([O-])=NO[C@@H]3CCCCO3)n2)C[C@@H](C)O1 ZINC000274742562 550551519 /nfs/dbraw/zinc/55/15/19/550551519.db2.gz KIBSELONQMVYCJ-YRGRVCCFSA-N -1 1 370.475 2.332 20 0 FEADMM C[C@@H]1CN(Cc2csc(NC(=O)[N-]O[C@@H]3CCCCO3)n2)C[C@@H](C)O1 ZINC000274742562 550551521 /nfs/dbraw/zinc/55/15/21/550551521.db2.gz KIBSELONQMVYCJ-YRGRVCCFSA-N -1 1 370.475 2.332 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000277166421 550639133 /nfs/dbraw/zinc/63/91/33/550639133.db2.gz SKTQRJJGBSYNEE-TZMCWYRMSA-N -1 1 371.403 2.223 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)cc(Cl)c1[O-] ZINC000277251409 550648067 /nfs/dbraw/zinc/64/80/67/550648067.db2.gz KKEQAXNJNKRNOS-JTQLQIEISA-N -1 1 361.847 2.094 20 0 FEADMM Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000277304328 550654025 /nfs/dbraw/zinc/65/40/25/550654025.db2.gz AYNYNDCQYRZDCX-WGDIFIGCSA-N -1 1 369.446 2.225 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(C)c(F)c3)CC2)n1 ZINC000277592439 550688987 /nfs/dbraw/zinc/68/89/87/550688987.db2.gz DJIVPCLPDGTNJY-UHFFFAOYSA-N -1 1 360.389 2.449 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N3CCc4ccccc43)CC2)n1 ZINC000277695974 550702809 /nfs/dbraw/zinc/70/28/09/550702809.db2.gz CNRSYPCJXBUWJL-UHFFFAOYSA-N -1 1 369.425 2.344 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3ccccc3C)CC2)n1 ZINC000277698142 550703338 /nfs/dbraw/zinc/70/33/38/550703338.db2.gz CTLIMTOBNVGNBI-UHFFFAOYSA-N -1 1 371.441 2.379 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)c1ccc(C)o1 ZINC000277933594 550730476 /nfs/dbraw/zinc/73/04/76/550730476.db2.gz RANGUXNSGIFLPK-CQSZACIVSA-N -1 1 371.386 2.180 20 0 FEADMM O=C(CSCc1nc(-c2ccc([O-])cc2Cl)no1)N1CCOCC1 ZINC000278212913 550761367 /nfs/dbraw/zinc/76/13/67/550761367.db2.gz QJJWARLOFDTYJO-UHFFFAOYSA-N -1 1 369.830 2.188 20 0 FEADMM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000278530701 550796031 /nfs/dbraw/zinc/79/60/31/550796031.db2.gz HNOVJOFQKURAIG-PBHICJAKSA-N -1 1 359.422 2.031 20 0 FEADMM CCOc1cc(C(=O)N(C)[C@@H](C)CN2CCOCC2)cc(Cl)c1[O-] ZINC000279275471 550872392 /nfs/dbraw/zinc/87/23/92/550872392.db2.gz JXDXVQGJNGDXEM-LBPRGKRZSA-N -1 1 356.850 2.237 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1C[C@@H](C)O ZINC000279612367 550908333 /nfs/dbraw/zinc/90/83/33/550908333.db2.gz HEYKDHYREWQALY-CJNGLKHVSA-N -1 1 370.453 2.247 20 0 FEADMM CC[C@@H](CSc1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000495448102 561488051 /nfs/dbraw/zinc/48/80/51/561488051.db2.gz OKFVZCBJSLDKPS-ZDUSSCGKSA-N -1 1 359.451 2.204 20 0 FEADMM Cc1ccc(C(=O)N[C@@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C(C)C)cc1 ZINC000279752209 550925003 /nfs/dbraw/zinc/92/50/03/550925003.db2.gz LFEAPOIAMPPSIC-CXJVOSNZSA-N -1 1 365.437 2.043 20 0 FEADMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)c3ccc([O-])cc3)C2)nc1 ZINC000280733149 551026397 /nfs/dbraw/zinc/02/63/97/551026397.db2.gz IRAOROBTILAUQH-HNNXBMFYSA-N -1 1 367.405 2.156 20 0 FEADMM O=C(CCCNC(=O)C(=O)c1ccc([O-])cc1)N1Cc2ccccc2C1 ZINC000280989497 551052506 /nfs/dbraw/zinc/05/25/06/551052506.db2.gz QHPYTEZPGDOIQL-UHFFFAOYSA-N -1 1 352.390 2.014 20 0 FEADMM CN1CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000281067374 551059987 /nfs/dbraw/zinc/05/99/87/551059987.db2.gz SNUWUYBJQNMCLL-DLBZAZTESA-N -1 1 360.360 2.415 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)o1 ZINC000281479753 551103023 /nfs/dbraw/zinc/10/30/23/551103023.db2.gz NBLXPYSKLJWOMO-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCO1 ZINC000281638772 551124186 /nfs/dbraw/zinc/12/41/86/551124186.db2.gz NCOOBYDGYIGCFH-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM C[S@@](=O)C1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000281708729 551133287 /nfs/dbraw/zinc/13/32/87/551133287.db2.gz ASHXJAURRBGVEK-LJQANCHMSA-N -1 1 360.259 2.322 20 0 FEADMM Cc1ccccc1-n1c(SCc2nn[n-]n2)nnc1-c1cccnc1 ZINC000497359161 561499215 /nfs/dbraw/zinc/49/92/15/561499215.db2.gz ADXKOFBFVSMQIX-UHFFFAOYSA-N -1 1 350.411 2.443 20 0 FEADMM Cc1cc([C@H](NC(=O)CNC(=O)c2ncccc2[O-])C2CC2)ccc1F ZINC000497403728 561500219 /nfs/dbraw/zinc/50/02/19/561500219.db2.gz LDHCILZARPSKKM-QGZVFWFLSA-N -1 1 357.385 2.232 20 0 FEADMM COc1ccc(NC(=O)COCc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000497584514 561504328 /nfs/dbraw/zinc/50/43/28/561504328.db2.gz GKVFALTYNUCQHC-UHFFFAOYSA-N -1 1 364.423 2.222 20 0 FEADMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)OC)ccc2[O-])C1 ZINC000282782975 551269975 /nfs/dbraw/zinc/26/99/75/551269975.db2.gz MMKDCSGFHYQGEU-GXTWGEPZSA-N -1 1 362.426 2.402 20 0 FEADMM COCCCN(Cc1ccncc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000282920914 551285447 /nfs/dbraw/zinc/28/54/47/551285447.db2.gz CFKMKSRJYUDHKY-UHFFFAOYSA-N -1 1 357.439 2.092 20 0 FEADMM COc1cc2c(cc1OC)CN(C(=O)c1ccc3n[n-]c(=S)n3c1)CC2 ZINC000283118662 551314461 /nfs/dbraw/zinc/31/44/61/551314461.db2.gz YOPHZXCKGZOLDZ-UHFFFAOYSA-N -1 1 370.434 2.234 20 0 FEADMM C[C@H](C(=O)N1CCc2sccc2C1)S(=O)(=O)c1ccc([O-])cc1 ZINC000283297662 551343844 /nfs/dbraw/zinc/34/38/44/551343844.db2.gz HMZXWZPZKMCTQD-LLVKDONJSA-N -1 1 351.449 2.201 20 0 FEADMM Cc1cc([C@H]2CCCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)C2)n[nH]1 ZINC000283679410 551408516 /nfs/dbraw/zinc/40/85/16/551408516.db2.gz VWIKNRSOKPLYKG-ZDUSSCGKSA-N -1 1 362.455 2.109 20 0 FEADMM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000283746845 551420856 /nfs/dbraw/zinc/42/08/56/551420856.db2.gz PSDZROQMVGPVJK-ZETCQYMHSA-N -1 1 357.197 2.130 20 0 FEADMM Cn1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000498216613 561518815 /nfs/dbraw/zinc/51/88/15/561518815.db2.gz PXDJEKCODALOGQ-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM CN(C(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)[C@H]1CCCc2ccccc21 ZINC000284396826 551540833 /nfs/dbraw/zinc/54/08/33/551540833.db2.gz WCASBNGTDVGNJE-WBVHZDCISA-N -1 1 370.453 2.078 20 0 FEADMM Cc1noc([C@H]2CN(C(=O)c3cc4ccccc4cc3[O-])CCN2C)n1 ZINC000284675113 551605311 /nfs/dbraw/zinc/60/53/11/551605311.db2.gz OVIJCTKANSYQKK-MRXNPFEDSA-N -1 1 352.394 2.366 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cn1 ZINC000284969676 551679602 /nfs/dbraw/zinc/67/96/02/551679602.db2.gz CXARSZIMXPRLJS-UHFFFAOYSA-N -1 1 363.439 2.338 20 0 FEADMM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CCOCC1 ZINC000285085116 551702354 /nfs/dbraw/zinc/70/23/54/551702354.db2.gz PWINVZQVDFHRNP-AWEZNQCLSA-N -1 1 371.409 2.145 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3)cn1 ZINC000530145944 562399765 /nfs/dbraw/zinc/39/97/65/562399765.db2.gz VCMPVDDUZXZKEW-UHFFFAOYSA-N -1 1 355.847 2.472 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(CC(F)(F)F)C(=O)C1 ZINC000286828234 551930462 /nfs/dbraw/zinc/93/04/62/551930462.db2.gz XVMYZEVVXYLEOL-UHFFFAOYSA-N -1 1 352.312 2.392 20 0 FEADMM CC(C)COC[C@@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccco1 ZINC000287009539 551951454 /nfs/dbraw/zinc/95/14/54/551951454.db2.gz BPPZBUFLGJXTEG-XWCAUFEOSA-N -1 1 357.414 2.470 20 0 FEADMM COc1ccc(C[C@H](C)NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1OC ZINC000287025849 551953439 /nfs/dbraw/zinc/95/34/39/551953439.db2.gz CKPFGLORPYTMFU-RDGOFQKVSA-N -1 1 369.425 2.112 20 0 FEADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@H](c2ccc(F)cc2)O1 ZINC000287235670 551979704 /nfs/dbraw/zinc/97/97/04/551979704.db2.gz QUJDBQHYPOWJMK-OCGVAQJXSA-N -1 1 369.400 2.475 20 0 FEADMM C[C@@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@@H](c2ccc(F)cc2)O1 ZINC000287235689 551979766 /nfs/dbraw/zinc/97/97/66/551979766.db2.gz QUJDBQHYPOWJMK-ZEKVSLFUSA-N -1 1 369.400 2.475 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC[C@@H](Nc4ccccc4)C3)ccnc1-2 ZINC000287395415 551998525 /nfs/dbraw/zinc/99/85/25/551998525.db2.gz GHOJTAHQWUGSCP-JRCVOMKHSA-N -1 1 350.426 2.450 20 0 FEADMM NC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000287414335 552001387 /nfs/dbraw/zinc/00/13/87/552001387.db2.gz LSBSXKSARLAXQB-SSDOTTSWSA-N -1 1 372.299 2.124 20 0 FEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000499333854 561549156 /nfs/dbraw/zinc/54/91/56/561549156.db2.gz HWRSXVQWVIOLAX-UHFFFAOYSA-N -1 1 368.369 2.346 20 0 FEADMM C[C@H](CCO)N(Cc1ccccc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287622175 552026609 /nfs/dbraw/zinc/02/66/09/552026609.db2.gz NOIALSHYLVWVOR-CHOFAJOMSA-N -1 1 353.426 2.147 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)ccnc1-2 ZINC000287766611 552044020 /nfs/dbraw/zinc/04/40/20/552044020.db2.gz VXLHIIFCDKDGDJ-KZTSJITJSA-N -1 1 367.453 2.266 20 0 FEADMM CC[C@@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)Oc1ccccc1F ZINC000287805234 552048973 /nfs/dbraw/zinc/04/89/73/552048973.db2.gz YBXXXRSMPKTLEK-RDGOFQKVSA-N -1 1 357.389 2.460 20 0 FEADMM O=C(NC[C@H]1CCCS(=O)(=O)C1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000288084102 552088091 /nfs/dbraw/zinc/08/80/91/552088091.db2.gz GZJAVOJMWGDYCE-SNVBAGLBSA-N -1 1 368.842 2.148 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(=O)NC)c1 ZINC000499931552 561562079 /nfs/dbraw/zinc/56/20/79/561562079.db2.gz YMNQCTKQVBONKW-UHFFFAOYSA-N -1 1 361.423 2.060 20 0 FEADMM O=C(c1cccc(CN2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1)N1CCCCC1 ZINC000288776117 552210426 /nfs/dbraw/zinc/21/04/26/552210426.db2.gz BKBZOAHWSDYOAM-KRWDZBQOSA-N -1 1 369.469 2.104 20 0 FEADMM CN(C[C@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)C1)C(=O)OC(C)(C)C ZINC000289119611 552269077 /nfs/dbraw/zinc/26/90/77/552269077.db2.gz NVFPOWXXDCLNKM-CYBMUJFWSA-N -1 1 362.426 2.290 20 0 FEADMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2F)no1 ZINC000289453866 552324388 /nfs/dbraw/zinc/32/43/88/552324388.db2.gz GFVXPZUUXZYBNN-VIFPVBQESA-N -1 1 361.370 2.312 20 0 FEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(C)c2)no1 ZINC000289505299 552332439 /nfs/dbraw/zinc/33/24/39/552332439.db2.gz KISFTHQZJJQICG-VIFPVBQESA-N -1 1 360.823 2.002 20 0 FEADMM CSC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289836373 552386512 /nfs/dbraw/zinc/38/65/12/552386512.db2.gz ALIYUFQJZKVFDA-MRVPVSSYSA-N -1 1 371.311 2.139 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290272407 552451901 /nfs/dbraw/zinc/45/19/01/552451901.db2.gz AHOCUBKVDRRJLC-DYNIEEOBSA-N -1 1 372.391 2.134 20 0 FEADMM COc1ccccc1CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290311165 552458196 /nfs/dbraw/zinc/45/81/96/552458196.db2.gz HGRSAFUAVROEKU-LBPRGKRZSA-N -1 1 358.360 2.155 20 0 FEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000290538307 552494673 /nfs/dbraw/zinc/49/46/73/552494673.db2.gz OZSOAAZZARVLOB-UHFFFAOYSA-N -1 1 361.391 2.086 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000290834786 552546504 /nfs/dbraw/zinc/54/65/04/552546504.db2.gz UXTAFFKKGMSDQX-GXTWGEPZSA-N -1 1 351.428 2.011 20 0 FEADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(N(C)C)nc3)ccc2o1 ZINC000290978680 552571546 /nfs/dbraw/zinc/57/15/46/552571546.db2.gz RCEBXVDUGIAWPI-UHFFFAOYSA-N -1 1 362.411 2.236 20 0 FEADMM O=C(CCc1ccccc1O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291031982 552578636 /nfs/dbraw/zinc/57/86/36/552578636.db2.gz FHTFYFGBZICTQP-LBPRGKRZSA-N -1 1 358.360 2.242 20 0 FEADMM CN(C)c1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000291078571 552584277 /nfs/dbraw/zinc/58/42/77/552584277.db2.gz JPBAMMZQIYKVFS-LBPRGKRZSA-N -1 1 357.376 2.283 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2cn(C)nc2C2CC2)cc1 ZINC000291128704 552590564 /nfs/dbraw/zinc/59/05/64/552590564.db2.gz OAPSAOSDSXWQCA-UHFFFAOYSA-N -1 1 351.428 2.127 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1C(=O)[O-] ZINC000291134928 552591206 /nfs/dbraw/zinc/59/12/06/552591206.db2.gz OMQLCFCOYVMTQR-UHFFFAOYSA-N -1 1 353.375 2.244 20 0 FEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000291858747 552669181 /nfs/dbraw/zinc/66/91/81/552669181.db2.gz FEMYKWBZNZHNNH-MLGOLLRUSA-N -1 1 370.471 2.224 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000292254017 552709196 /nfs/dbraw/zinc/70/91/96/552709196.db2.gz PAZXKNPLFFISPQ-LRDDRELGSA-N -1 1 370.471 2.080 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1Cl ZINC000292520050 552734736 /nfs/dbraw/zinc/73/47/36/552734736.db2.gz UWHLFDJXVQNQFF-UHFFFAOYSA-N -1 1 357.819 2.278 20 0 FEADMM COCc1cccc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292613851 552743164 /nfs/dbraw/zinc/74/31/64/552743164.db2.gz TUGYBFNKBACEBU-IUODEOHRSA-N -1 1 372.387 2.434 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(C(F)(F)F)n1 ZINC000293473068 552827214 /nfs/dbraw/zinc/82/72/14/552827214.db2.gz LXJPHFNRSAIKOQ-KGYLQXTDSA-N -1 1 357.357 2.056 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000293583066 552837487 /nfs/dbraw/zinc/83/74/87/552837487.db2.gz FZHXNBMCDRVQFN-DYVFJYSZSA-N -1 1 364.396 2.488 20 0 FEADMM CCCc1nc(C)c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)o1 ZINC000293754466 552853204 /nfs/dbraw/zinc/85/32/04/552853204.db2.gz YLUUPHYJUBRDJE-UHFFFAOYSA-N -1 1 361.364 2.466 20 0 FEADMM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000501704690 561603883 /nfs/dbraw/zinc/60/38/83/561603883.db2.gz GXUOZLOLLHNGOE-OAHLLOKOSA-N -1 1 374.400 2.497 20 0 FEADMM CCOC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000294699727 552927917 /nfs/dbraw/zinc/92/79/17/552927917.db2.gz GNONNAKLUUSKGC-UHFFFAOYSA-N -1 1 360.435 2.348 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c[nH]2)c1 ZINC000294707129 552928427 /nfs/dbraw/zinc/92/84/27/552928427.db2.gz WIICIXVZBRQYQA-UHFFFAOYSA-N -1 1 355.391 2.142 20 0 FEADMM COC(=O)c1cnc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)cn1 ZINC000502066462 561611333 /nfs/dbraw/zinc/61/13/33/561611333.db2.gz OJDDRVQDMPXOJG-UHFFFAOYSA-N -1 1 361.379 2.009 20 0 FEADMM COC(=O)c1cnc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cn1 ZINC000502074577 561611479 /nfs/dbraw/zinc/61/14/79/561611479.db2.gz KGTIYSTUMSFJPB-UHFFFAOYSA-N -1 1 361.427 2.490 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000295715378 553049223 /nfs/dbraw/zinc/04/92/23/553049223.db2.gz PTZHVKSEKAZPTN-UHFFFAOYSA-N -1 1 357.790 2.043 20 0 FEADMM CC[C@@H](CO)N(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000295769061 553056956 /nfs/dbraw/zinc/05/69/56/553056956.db2.gz JMRWCTIKQXSGBB-JTQLQIEISA-N -1 1 364.320 2.346 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cc[nH]c(=O)c1 ZINC000502259908 561615317 /nfs/dbraw/zinc/61/53/17/561615317.db2.gz QBOXJKHIZHLMMO-LLVKDONJSA-N -1 1 365.393 2.073 20 0 FEADMM CCC[C@H](CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)OC ZINC000296093057 553103695 /nfs/dbraw/zinc/10/36/95/553103695.db2.gz PGGHVLKQUOKNOV-OAHLLOKOSA-N -1 1 358.442 2.417 20 0 FEADMM CCn1cc([C@@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000296795505 553212962 /nfs/dbraw/zinc/21/29/62/553212962.db2.gz BUQWWUUICYAEAR-LLVKDONJSA-N -1 1 356.430 2.078 20 0 FEADMM CSc1ccc(Cl)c(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)c1 ZINC000297661579 553321667 /nfs/dbraw/zinc/32/16/67/553321667.db2.gz GAKZOFIHSMAUNH-UHFFFAOYSA-N -1 1 351.819 2.325 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000298837586 553479347 /nfs/dbraw/zinc/47/93/47/553479347.db2.gz DHSHNLYSLIDJAH-UHFFFAOYSA-N -1 1 369.464 2.346 20 0 FEADMM O=C(c1ccc2nc(Cl)ccc2c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298871958 553483219 /nfs/dbraw/zinc/48/32/19/553483219.db2.gz GUURZNGHUDDDHP-LBPRGKRZSA-N -1 1 357.801 2.319 20 0 FEADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(Br)c1 ZINC000298907391 553488200 /nfs/dbraw/zinc/48/82/00/553488200.db2.gz LKKMFEFMYPAZNH-SNVBAGLBSA-N -1 1 365.231 2.189 20 0 FEADMM O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000299042603 553507385 /nfs/dbraw/zinc/50/73/85/553507385.db2.gz SGDXGENHOOEUJB-CYBMUJFWSA-N -1 1 369.450 2.170 20 0 FEADMM Cc1onc(-c2ccccc2C)c1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000299148697 553521646 /nfs/dbraw/zinc/52/16/46/553521646.db2.gz YMLHLVNDTJJZRZ-CYBMUJFWSA-N -1 1 367.409 2.390 20 0 FEADMM Cc1nc(-c2ccc(N(CCO)Cc3cccnc3)nc2)[n-]c(=O)c1C ZINC000301557713 553660932 /nfs/dbraw/zinc/66/09/32/553660932.db2.gz SRGZDCKHEROVSA-UHFFFAOYSA-N -1 1 351.410 2.255 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(C)c2)c1 ZINC000504955005 561664518 /nfs/dbraw/zinc/66/45/18/561664518.db2.gz FIFACIMGXXBSCG-UHFFFAOYSA-N -1 1 362.407 2.071 20 0 FEADMM CCN(C(=O)c1cc(I)ccc1[O-])[C@@H]1CCOC1 ZINC000311110153 553754084 /nfs/dbraw/zinc/75/40/84/553754084.db2.gz FBVQDEVOYITPHQ-SNVBAGLBSA-N -1 1 361.179 2.248 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1nc[nH]n1 ZINC000311610960 553754901 /nfs/dbraw/zinc/75/49/01/553754901.db2.gz FBVRKERWLDYFKE-ZCFIWIBFSA-N -1 1 365.640 2.260 20 0 FEADMM C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000322338137 553768375 /nfs/dbraw/zinc/76/83/75/553768375.db2.gz FTJHYDYVCIINOD-BXUZGUMPSA-N -1 1 351.346 2.416 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000324237119 553771579 /nfs/dbraw/zinc/77/15/79/553771579.db2.gz AEVSAEMWJVIVBL-HNNXBMFYSA-N -1 1 353.371 2.027 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000324603180 553773128 /nfs/dbraw/zinc/77/31/28/553773128.db2.gz VBIHFYIJCWYVCG-UHFFFAOYSA-N -1 1 368.436 2.257 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1 ZINC000324597217 553773226 /nfs/dbraw/zinc/77/32/26/553773226.db2.gz GHCHVIBGALDUHN-UHFFFAOYSA-N -1 1 367.448 2.484 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@H]2CCCCN12 ZINC000328789334 553822406 /nfs/dbraw/zinc/82/24/06/553822406.db2.gz KRKPGZJJQZLESL-JGVFFNPUSA-N -1 1 369.295 2.487 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cn1 ZINC000506726536 561707047 /nfs/dbraw/zinc/70/70/47/561707047.db2.gz NHMXNNURDZWBPZ-OAHLLOKOSA-N -1 1 364.423 2.449 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000329839262 554016554 /nfs/dbraw/zinc/01/65/54/554016554.db2.gz JBXLGGHBRZHQQZ-OLZOCXBDSA-N -1 1 364.471 2.255 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000507565558 561733522 /nfs/dbraw/zinc/73/35/22/561733522.db2.gz LSCUNMQPRIVRCF-UHFFFAOYSA-N -1 1 372.443 2.185 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccccc2C)cc(S(C)(=O)=O)c1 ZINC000507582339 561734120 /nfs/dbraw/zinc/73/41/20/561734120.db2.gz WMOIHFKQIQPGGL-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM CCc1cccc(S(=O)(=O)[N-]c2cc(OC)cc(S(C)(=O)=O)c2)c1 ZINC000507604689 561734895 /nfs/dbraw/zinc/73/48/95/561734895.db2.gz VHABDDGRHUHZIU-UHFFFAOYSA-N -1 1 369.464 2.462 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000507932761 561746432 /nfs/dbraw/zinc/74/64/32/561746432.db2.gz FLRCEOUHPDSHJN-UHFFFAOYSA-N -1 1 353.371 2.438 20 0 FEADMM COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000507966322 561747526 /nfs/dbraw/zinc/74/75/26/561747526.db2.gz DKHPNUYOUHVPLA-UHFFFAOYSA-N -1 1 369.370 2.480 20 0 FEADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@H]1C(F)(F)F ZINC000330652179 554150998 /nfs/dbraw/zinc/15/09/98/554150998.db2.gz IQFGUYNUSPKDFV-VXGBXAGGSA-N -1 1 360.332 2.379 20 0 FEADMM CC[C@H]1C[C@H](C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000330763391 554168425 /nfs/dbraw/zinc/16/84/25/554168425.db2.gz QETBMJLZEBVBDM-YPMHNXCESA-N -1 1 356.444 2.210 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(O)CCC(C(C)(C)C)CC2)o1 ZINC000331276599 554240026 /nfs/dbraw/zinc/24/00/26/554240026.db2.gz FPTLLYSRBSCOEB-UHFFFAOYSA-N -1 1 373.471 2.312 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)o1 ZINC000331437725 554264564 /nfs/dbraw/zinc/26/45/64/554264564.db2.gz VIDXSOGULWJKJI-CHWSQXEVSA-N -1 1 370.471 2.140 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000331491175 554274005 /nfs/dbraw/zinc/27/40/05/554274005.db2.gz YLPJQXAJXYWGPA-CYBMUJFWSA-N -1 1 363.458 2.246 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC3(C(F)(F)F)CC3)CC2)n1 ZINC000509176436 561788393 /nfs/dbraw/zinc/78/83/93/561788393.db2.gz APAQULQPINGRJG-UHFFFAOYSA-N -1 1 374.363 2.420 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000332148103 554390171 /nfs/dbraw/zinc/39/01/71/554390171.db2.gz LAHUMHSCVMEPNA-JHJVBQTASA-N -1 1 355.460 2.224 20 0 FEADMM Cc1n[nH]c(C)c1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509721277 561811726 /nfs/dbraw/zinc/81/17/26/561811726.db2.gz LXVZEKAZHHZKSY-UHFFFAOYSA-N -1 1 352.398 2.464 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(COCC2CC2)c1 ZINC000509919377 561818696 /nfs/dbraw/zinc/81/86/96/561818696.db2.gz LIUBSRMPTFNARG-UHFFFAOYSA-N -1 1 355.394 2.082 20 0 FEADMM CCc1ccc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)cc1F ZINC000332407305 554440709 /nfs/dbraw/zinc/44/07/09/554440709.db2.gz PMWHLYVWKSEPHX-UHFFFAOYSA-N -1 1 350.423 2.176 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccno1 ZINC000510043544 561823053 /nfs/dbraw/zinc/82/30/53/561823053.db2.gz OUGCMXKSVCOAMC-UHFFFAOYSA-N -1 1 365.194 2.247 20 0 FEADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000510103331 561824937 /nfs/dbraw/zinc/82/49/37/561824937.db2.gz HFCJVPOINMBLBU-UHFFFAOYSA-N -1 1 367.448 2.230 20 0 FEADMM Cc1cnc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c([O-])c1 ZINC000332550149 554469360 /nfs/dbraw/zinc/46/93/60/554469360.db2.gz JKGIXYYHLGFFQV-UHFFFAOYSA-N -1 1 355.394 2.292 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c([O-])c1 ZINC000332564718 554472571 /nfs/dbraw/zinc/47/25/71/554472571.db2.gz YTFNVXHBKXGKGG-UHFFFAOYSA-N -1 1 373.840 2.276 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1scnc1-c1ccccc1 ZINC000510579509 561839392 /nfs/dbraw/zinc/83/93/92/561839392.db2.gz OJCIRKADRIAEBV-UHFFFAOYSA-N -1 1 354.391 2.279 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC(C)(C)S(=O)(=O)CC2)n[n-]1)c1ccccc1 ZINC000333379439 554607712 /nfs/dbraw/zinc/60/77/12/554607712.db2.gz BEENNMCJLQDBQG-OAHLLOKOSA-N -1 1 374.510 3.053 20 0 FEADMM C[C@@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@@]2(CCOC2)O1 ZINC000333474397 554616666 /nfs/dbraw/zinc/61/66/66/554616666.db2.gz DSYCCSNPMJFIBY-AUUYWEPGSA-N -1 1 358.417 2.612 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c(C(F)(F)F)n1 ZINC000333750711 554639277 /nfs/dbraw/zinc/63/92/77/554639277.db2.gz XQDHMKBNTBSYAV-JTQLQIEISA-N -1 1 367.393 2.067 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000612053212 554726874 /nfs/dbraw/zinc/72/68/74/554726874.db2.gz KERIFKHUQLZMHM-UHFFFAOYSA-N -1 1 356.382 2.124 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2ncccn2)no1 ZINC000349825530 554744529 /nfs/dbraw/zinc/74/45/29/554744529.db2.gz SCJMUAHOXDVSET-UHFFFAOYSA-N -1 1 361.365 2.178 20 0 FEADMM COCCCOc1cnc(-c2noc(-c3ccc(OC)cc3[O-])n2)cn1 ZINC000350572403 554798788 /nfs/dbraw/zinc/79/87/88/554798788.db2.gz ZQYLUBVINBVNAD-UHFFFAOYSA-N -1 1 358.354 2.323 20 0 FEADMM CCOc1cc(-c2noc(CN3CCCNC3=O)n2)cc(Cl)c1[O-] ZINC000350788053 554813456 /nfs/dbraw/zinc/81/34/56/554813456.db2.gz RRLSNSREMFWCOK-UHFFFAOYSA-N -1 1 352.778 2.410 20 0 FEADMM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350814527 554815641 /nfs/dbraw/zinc/81/56/41/554815641.db2.gz FEIYNEMOCOWSFC-TXEJJXNPSA-N -1 1 359.357 2.299 20 0 FEADMM O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350835391 554816864 /nfs/dbraw/zinc/81/68/64/554816864.db2.gz MWJFBAAYJAVTQU-RYUDHWBXSA-N -1 1 359.357 2.299 20 0 FEADMM O=C(NCCc1nc(-c2ccc([O-])c(F)c2)no1)c1[nH]nc2ccccc21 ZINC000350841060 554817129 /nfs/dbraw/zinc/81/71/29/554817129.db2.gz VUVRVJNSCOSKGB-UHFFFAOYSA-N -1 1 367.340 2.430 20 0 FEADMM Cc1c2ccccc2oc1-c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000350838553 554817236 /nfs/dbraw/zinc/81/72/36/554817236.db2.gz IXPRGWQBKOITRL-UHFFFAOYSA-N -1 1 373.394 2.003 20 0 FEADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1-n1cnnn1 ZINC000350843895 554817675 /nfs/dbraw/zinc/81/76/75/554817675.db2.gz VGEIQTSILNTSRI-UHFFFAOYSA-N -1 1 354.301 2.233 20 0 FEADMM Cc1nc([C@@H](NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000360023962 554860237 /nfs/dbraw/zinc/86/02/37/554860237.db2.gz TXKBNASVDSJGRY-KRWDZBQOSA-N -1 1 350.378 2.260 20 0 FEADMM CCCc1nc([C@H]([N-]S(=O)(=O)CCOCC)c2ccccc2)no1 ZINC000363237282 555060676 /nfs/dbraw/zinc/06/06/76/555060676.db2.gz IEBFIXSGYCMHCN-OAHLLOKOSA-N -1 1 353.444 2.067 20 0 FEADMM O=C(c1ccccc1Nc1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363396750 555094646 /nfs/dbraw/zinc/09/46/46/555094646.db2.gz XRAARBIXEXRDLE-INIZCTEOSA-N -1 1 350.382 2.157 20 0 FEADMM CC(C)NC(=O)Nc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1 ZINC000511957002 561886713 /nfs/dbraw/zinc/88/67/13/561886713.db2.gz SMUJJXIYTRAWHH-UHFFFAOYSA-N -1 1 368.397 2.456 20 0 FEADMM Cc1cc(C)cc(N2CCC(=C([O-])Nc3[nH]nc4nc(O)ccc43)C2=O)c1 ZINC000615080776 555155380 /nfs/dbraw/zinc/15/53/80/555155380.db2.gz DVVWWJMYKPYUHO-CQSZACIVSA-N -1 1 365.393 2.272 20 0 FEADMM CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363846336 555198159 /nfs/dbraw/zinc/19/81/59/555198159.db2.gz BURULWNCDJEBQR-ZDUSSCGKSA-N -1 1 361.442 2.187 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2cccc(CO)c2)c1Br ZINC000616005838 555262503 /nfs/dbraw/zinc/26/25/03/555262503.db2.gz CSSPRPQOVYFSMB-SECBINFHSA-N -1 1 354.204 2.379 20 0 FEADMM CC[C@@H](C(=O)N=c1[nH][n-]c(C)c1Br)N1CCO[C@@H](CC)C1 ZINC000616008423 555263002 /nfs/dbraw/zinc/26/30/02/555263002.db2.gz FTKBBIZCTIOXEX-QWRGUYRKSA-N -1 1 359.268 2.309 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2cnn(CC(F)(F)F)c2)c1Br ZINC000616009433 555263066 /nfs/dbraw/zinc/26/30/66/555263066.db2.gz ULNCCDTYWBPJLH-UHFFFAOYSA-N -1 1 352.114 2.492 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1Br ZINC000616012845 555263559 /nfs/dbraw/zinc/26/35/59/555263559.db2.gz OFIPYKOGFYDNCD-SNVBAGLBSA-N -1 1 355.236 2.068 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000616173177 555278208 /nfs/dbraw/zinc/27/82/08/555278208.db2.gz JSEKFJLHFUPMIL-CYBMUJFWSA-N -1 1 360.439 2.017 20 0 FEADMM CC(C)(C)n1nnc(CC(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)n1 ZINC000616251084 555284358 /nfs/dbraw/zinc/28/43/58/555284358.db2.gz KCNZVNWKYGWBKZ-UHFFFAOYSA-N -1 1 361.356 2.278 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3SC[C@H]2C)co1 ZINC000364383717 555303418 /nfs/dbraw/zinc/30/34/18/555303418.db2.gz VTLRHJBWGWGDDR-LLVKDONJSA-N -1 1 366.464 2.324 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCCNC(=O)CC3CCCCC3)cnc2n1 ZINC000512446752 561905481 /nfs/dbraw/zinc/90/54/81/561905481.db2.gz OCOAUQASHAWRGT-UHFFFAOYSA-N -1 1 370.453 2.460 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCNC(=O)CC1CCCCC1)c2=O ZINC000512446752 561905482 /nfs/dbraw/zinc/90/54/82/561905482.db2.gz OCOAUQASHAWRGT-UHFFFAOYSA-N -1 1 370.453 2.460 20 0 FEADMM CC(C)(C)c1ccc(SCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000512602350 561910181 /nfs/dbraw/zinc/91/01/81/561910181.db2.gz NOASUNQHSGLZPF-UHFFFAOYSA-N -1 1 368.484 2.237 20 0 FEADMM CC(C)(C)c1ccc(SCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000512602350 561910182 /nfs/dbraw/zinc/91/01/82/561910182.db2.gz NOASUNQHSGLZPF-UHFFFAOYSA-N -1 1 368.484 2.237 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC12CCC2 ZINC000365115476 555489163 /nfs/dbraw/zinc/48/91/63/555489163.db2.gz ZLIXCCBCNYYBRW-CQSZACIVSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC12CCC2 ZINC000365115476 555489167 /nfs/dbraw/zinc/48/91/67/555489167.db2.gz ZLIXCCBCNYYBRW-CQSZACIVSA-N -1 1 355.394 2.059 20 0 FEADMM COC(=O)CCCc1nnc([N-]C(=O)c2nc(C3CC3)oc2C)s1 ZINC000513287570 561932214 /nfs/dbraw/zinc/93/22/14/561932214.db2.gz URVWXSQWFDJYPF-UHFFFAOYSA-N -1 1 350.400 2.460 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC3(C4CC4)CC3)CC2)n1 ZINC000365774487 555664991 /nfs/dbraw/zinc/66/49/91/555664991.db2.gz FKUPCSNXTXBGEC-UHFFFAOYSA-N -1 1 361.446 2.061 20 0 FEADMM Cn1c(Cl)cnc1CN1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000365880830 555691379 /nfs/dbraw/zinc/69/13/79/555691379.db2.gz ZFLHGXCPZJHACU-UHFFFAOYSA-N -1 1 366.824 2.266 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000366002707 555723846 /nfs/dbraw/zinc/72/38/46/555723846.db2.gz KNYILPPZYAQQLW-UHFFFAOYSA-N -1 1 350.378 2.414 20 0 FEADMM O=C(N=c1cc(-c2cc3ccccc3s2)[n-][nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000366154063 555766621 /nfs/dbraw/zinc/76/66/21/555766621.db2.gz BHVNKKVZDQHVIG-NSHDSACASA-N -1 1 361.448 2.665 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3coc(-c4ccc(F)cc4)n3)ccnc1-2 ZINC000366179888 555774016 /nfs/dbraw/zinc/77/40/16/555774016.db2.gz IEAOZIZXXATXPX-HAHDFKILSA-N -1 1 351.341 2.317 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3OC)c1 ZINC000513851390 561952492 /nfs/dbraw/zinc/95/24/92/561952492.db2.gz OOBNWTSNGHQYJT-CYBMUJFWSA-N -1 1 351.380 2.041 20 0 FEADMM COCc1nc(CS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)cs1 ZINC000514651631 561971686 /nfs/dbraw/zinc/97/16/86/561971686.db2.gz CPMSPMSIDFRDJT-UHFFFAOYSA-N -1 1 368.415 2.188 20 0 FEADMM COCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)cs1 ZINC000514651631 561971687 /nfs/dbraw/zinc/97/16/87/561971687.db2.gz CPMSPMSIDFRDJT-UHFFFAOYSA-N -1 1 368.415 2.188 20 0 FEADMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000367656131 556106419 /nfs/dbraw/zinc/10/64/19/556106419.db2.gz AMHRCCGAZMESEG-JTQLQIEISA-N -1 1 364.352 2.372 20 0 FEADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c2ccccc21 ZINC000514905006 561985827 /nfs/dbraw/zinc/98/58/27/561985827.db2.gz WFWUNDKJFHVZFN-FZMZJTMJSA-N -1 1 362.455 2.464 20 0 FEADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c2ccccc21 ZINC000514905006 561985829 /nfs/dbraw/zinc/98/58/29/561985829.db2.gz WFWUNDKJFHVZFN-FZMZJTMJSA-N -1 1 362.455 2.464 20 0 FEADMM CCC[C@@H](CC)S(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000367911325 556170727 /nfs/dbraw/zinc/17/07/27/556170727.db2.gz NKPKTEFCXJAKNC-KGLIPLIRSA-N -1 1 353.444 2.268 20 0 FEADMM O=C(COc1ccccc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368502255 556328611 /nfs/dbraw/zinc/32/86/11/556328611.db2.gz LOLNXSNQDIVAJX-OAHLLOKOSA-N -1 1 361.764 2.277 20 0 FEADMM Cc1ncsc1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503881 556329165 /nfs/dbraw/zinc/32/91/65/556329165.db2.gz RVBBXVSUJGEEFD-SNVBAGLBSA-N -1 1 352.782 2.277 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1C[C@@H](O)C2(CC2)C1 ZINC000368753597 556406002 /nfs/dbraw/zinc/40/60/02/556406002.db2.gz JVJDNQNMWUAIHQ-QGZVFWFLSA-N -1 1 372.446 2.084 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368908432 556445131 /nfs/dbraw/zinc/44/51/31/556445131.db2.gz AOBLFMHDEKOXPY-LJQANCHMSA-N -1 1 368.433 2.399 20 0 FEADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc2NC1=O ZINC000369007181 556474764 /nfs/dbraw/zinc/47/47/64/556474764.db2.gz GTUDCXBBEBUTNL-UHFFFAOYSA-N -1 1 373.394 2.047 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@H](NC(=O)C4CCC4)C3)nc2)[n-]c(=O)c1C ZINC000369696005 556670931 /nfs/dbraw/zinc/67/09/31/556670931.db2.gz KUQDDIUBORUPES-INIZCTEOSA-N -1 1 367.453 2.356 20 0 FEADMM CCC[C@@H](NC(=O)Cc1coc(-c2ccc(F)c(F)c2)n1)c1nn[n-]n1 ZINC000370473860 556883482 /nfs/dbraw/zinc/88/34/82/556883482.db2.gz UWULEJKZUUFSIS-CYBMUJFWSA-N -1 1 362.340 2.333 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cc(C4CC4)[nH]c3C3CC3)CC2)s[n-]1 ZINC000626045011 556980965 /nfs/dbraw/zinc/98/09/65/556980965.db2.gz BOAKQUAKSXSODG-UHFFFAOYSA-N -1 1 358.471 2.166 20 0 FEADMM O=C(CCCSc1ccc(Cl)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370854380 556991791 /nfs/dbraw/zinc/99/17/91/556991791.db2.gz YFTRMSCLGJMSSQ-ZDUSSCGKSA-N -1 1 367.862 2.326 20 0 FEADMM C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@@H](c5nn[n-]n5)C4)cc3c2C1 ZINC000370871008 556997236 /nfs/dbraw/zinc/99/72/36/556997236.db2.gz XFXHBRYCHWAEQX-APPDUMDISA-N -1 1 366.425 2.020 20 0 FEADMM O=C(NC1CCC(N2CCCS2(=O)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000371098644 557074393 /nfs/dbraw/zinc/07/43/93/557074393.db2.gz JVOWQEBXTQKTTJ-UHFFFAOYSA-N -1 1 372.874 2.122 20 0 FEADMM CCOc1ncnc2c1CN(C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)CC2 ZINC000371191675 557102952 /nfs/dbraw/zinc/10/29/52/557102952.db2.gz YPBWIHCHLWXCKZ-UHFFFAOYSA-N -1 1 371.441 2.175 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000517240340 562081974 /nfs/dbraw/zinc/08/19/74/562081974.db2.gz DHZBTIZUTPJKDP-QGZVFWFLSA-N -1 1 355.456 2.046 20 0 FEADMM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@H](C)CO ZINC000371196659 557104277 /nfs/dbraw/zinc/10/42/77/557104277.db2.gz UEUBTHGQCWBHHF-HBUWYVDXSA-N -1 1 370.449 2.283 20 0 FEADMM O=C(N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc([O-])cc1F ZINC000371571957 557226127 /nfs/dbraw/zinc/22/61/27/557226127.db2.gz QKSOKUMZQPLJMJ-CQSZACIVSA-N -1 1 366.396 2.458 20 0 FEADMM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2NCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000517959802 562101613 /nfs/dbraw/zinc/10/16/13/562101613.db2.gz ANHJOBVWXJOJBW-IPMKNSEASA-N -1 1 350.418 2.200 20 0 FEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000371817831 557302646 /nfs/dbraw/zinc/30/26/46/557302646.db2.gz XZTWZIWFTILMPA-WCQYABFASA-N -1 1 368.227 2.365 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)C[C@H]3Cc4ccccc4O3)n2)cc1 ZINC000518304088 562108183 /nfs/dbraw/zinc/10/81/83/562108183.db2.gz ASWUFZNAFRUWLW-OAHLLOKOSA-N -1 1 371.418 2.258 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)C[C@H]3Cc4ccccc4O3)n[n-]2)cc1 ZINC000518304088 562108184 /nfs/dbraw/zinc/10/81/84/562108184.db2.gz ASWUFZNAFRUWLW-OAHLLOKOSA-N -1 1 371.418 2.258 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000371827686 557305006 /nfs/dbraw/zinc/30/50/06/557305006.db2.gz ZBWBLUNMFCWNDJ-FZKQIMNGSA-N -1 1 357.435 2.435 20 0 FEADMM CCN(CCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)CCC(F)(F)F ZINC000518369906 562109820 /nfs/dbraw/zinc/10/98/20/562109820.db2.gz FFYIWGUGNQFSAF-RYUDHWBXSA-N -1 1 353.385 2.013 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1Cc2ccccc2C1 ZINC000372029763 557361006 /nfs/dbraw/zinc/36/10/06/557361006.db2.gz FSOGBGMGYUDSNT-UHFFFAOYSA-N -1 1 360.417 2.379 20 0 FEADMM CC(C)OC[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCO1 ZINC000372188778 557403749 /nfs/dbraw/zinc/40/37/49/557403749.db2.gz TYNSRBAHIIROSC-GFCCVEGCSA-N -1 1 358.232 2.421 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3cccs3)C[C@H]2C)co1 ZINC000372307663 557435554 /nfs/dbraw/zinc/43/55/54/557435554.db2.gz LZPHDHQICVANIR-MNOVXSKESA-N -1 1 354.453 2.267 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@@]12CCCO2 ZINC000519437108 562131947 /nfs/dbraw/zinc/13/19/47/562131947.db2.gz XXCSEEDYRRSJPL-ZNMIVQPWSA-N -1 1 363.838 2.484 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)[C@@H]2CCCCN12 ZINC000519688829 562140126 /nfs/dbraw/zinc/14/01/26/562140126.db2.gz YDDFVHBVEZJOCT-OLZOCXBDSA-N -1 1 352.387 2.004 20 0 FEADMM CCC[C@@H](CC)NC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000373106508 557630035 /nfs/dbraw/zinc/63/00/35/557630035.db2.gz JSFGTCRGNUEFKE-CYBMUJFWSA-N -1 1 351.451 2.449 20 0 FEADMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000519893783 562147503 /nfs/dbraw/zinc/14/75/03/562147503.db2.gz BRNZWGWLDLYXOJ-LBPRGKRZSA-N -1 1 365.389 2.403 20 0 FEADMM Cc1nc(-c2ccccc2)sc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000520294701 562152939 /nfs/dbraw/zinc/15/29/39/562152939.db2.gz MDDHMDUGZMAANM-UHFFFAOYSA-N -1 1 352.379 2.102 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373739087 557748826 /nfs/dbraw/zinc/74/88/26/557748826.db2.gz ZFPBQHSCHPJAOB-BUXKBTBVSA-N -1 1 363.458 2.198 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)co1 ZINC000373878266 557778626 /nfs/dbraw/zinc/77/86/26/557778626.db2.gz NMDWUFDOXPEBLQ-YPFXGUDJSA-N -1 1 370.377 2.142 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000373882379 557779874 /nfs/dbraw/zinc/77/98/74/557779874.db2.gz RGISKUNPMJQLQR-KGLIPLIRSA-N -1 1 374.485 2.309 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)CCO2 ZINC000373903984 557783371 /nfs/dbraw/zinc/78/33/71/557783371.db2.gz GARLMGDTIIYCNI-UHFFFAOYSA-N -1 1 351.336 2.052 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)c1 ZINC000374405566 557879939 /nfs/dbraw/zinc/87/99/39/557879939.db2.gz XAIGFHQDLAEYBH-KRWDZBQOSA-N -1 1 368.389 2.091 20 0 FEADMM O=C(NCC1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000374487117 557890373 /nfs/dbraw/zinc/89/03/73/557890373.db2.gz ZAQIBRCYTQINNT-HNNXBMFYSA-N -1 1 366.845 2.193 20 0 FEADMM O=C(CN1CCC[C@@](CO)(c2ccccc2)C1)[N-]OCc1ccccc1 ZINC000374566356 557900642 /nfs/dbraw/zinc/90/06/42/557900642.db2.gz ONJGBZJBQGRWKQ-OAQYLSRUSA-N -1 1 354.450 2.261 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)CCc3nnc(-c4ccsc4)o3)ccnc1-2 ZINC000374724553 557921496 /nfs/dbraw/zinc/92/14/96/557921496.db2.gz YMTDJKZTYZZQID-UNOMPAQXSA-N -1 1 354.395 2.025 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)cc(Cl)c1[O-] ZINC000374867494 557943095 /nfs/dbraw/zinc/94/30/95/557943095.db2.gz CXKKDYNIQXNRND-OLZOCXBDSA-N -1 1 352.818 2.328 20 0 FEADMM COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cc1 ZINC000374996562 557961535 /nfs/dbraw/zinc/96/15/35/557961535.db2.gz UHQZPBAMLBKYFG-UHFFFAOYSA-N -1 1 355.325 2.135 20 0 FEADMM CCN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)c1nc(C)cs1 ZINC000375083355 557975247 /nfs/dbraw/zinc/97/52/47/557975247.db2.gz CSFVOITUXQDDKJ-UHFFFAOYSA-N -1 1 374.397 2.306 20 0 FEADMM O=C(CCCc1cccc(C(F)(F)F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000375234003 557996218 /nfs/dbraw/zinc/99/62/18/557996218.db2.gz OHSDPWOTOKBYCR-CYBMUJFWSA-N -1 1 369.347 2.141 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1C(N)=O ZINC000521327658 562174460 /nfs/dbraw/zinc/17/44/60/562174460.db2.gz MSLQEMDCDMIZPT-UHFFFAOYSA-N -1 1 361.379 2.045 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@]3(C2)CCCOC3)c(=O)[n-]1 ZINC000375395971 558020633 /nfs/dbraw/zinc/02/06/33/558020633.db2.gz ZARDHGNZJHVTQZ-KRWDZBQOSA-N -1 1 351.472 2.174 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC(O)(C2CC2)C1 ZINC000375500294 558038968 /nfs/dbraw/zinc/03/89/68/558038968.db2.gz XPACHZSDXFTXPO-UHFFFAOYSA-N -1 1 372.446 2.084 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CC(S(=O)(=O)c2ccccc2F)C1 ZINC000375990496 558110596 /nfs/dbraw/zinc/11/05/96/558110596.db2.gz BYWOMVZOUUTYKX-UHFFFAOYSA-N -1 1 371.336 2.108 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000376000535 558112052 /nfs/dbraw/zinc/11/20/52/558112052.db2.gz SWPSDBLVRSFGTD-JTQLQIEISA-N -1 1 352.799 2.340 20 0 FEADMM CCc1nnc2n1C[C@@H](N=c1nc(C(Cl)(Cl)Cl)[n-]s1)CC2 ZINC000376218815 558143435 /nfs/dbraw/zinc/14/34/35/558143435.db2.gz CKPOUJCDYBUFAT-LURJTMIESA-N -1 1 367.693 2.368 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000376539894 558187279 /nfs/dbraw/zinc/18/72/79/558187279.db2.gz JOUVYFZIVNPQMY-UHFFFAOYSA-N -1 1 358.423 2.461 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000377098340 558265646 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O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](N2CCNC2=O)C1 ZINC000378462036 558562474 /nfs/dbraw/zinc/56/24/74/558562474.db2.gz XPFZPWXJZPSYHT-LLVKDONJSA-N -1 1 357.332 2.041 20 0 FEADMM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3nnc[nH]3)c3ccccc3)cc2=O)cc1 ZINC000378532753 558577261 /nfs/dbraw/zinc/57/72/61/558577261.db2.gz ZCKQOCPXSSNMFP-GOSISDBHSA-N -1 1 374.404 2.112 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)OCCO ZINC000385553178 558606276 /nfs/dbraw/zinc/60/62/76/558606276.db2.gz MVDMOEZMOYKTFP-UHFFFAOYSA-N -1 1 360.234 2.198 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000390008522 558610700 /nfs/dbraw/zinc/61/07/00/558610700.db2.gz SBDCAYREFAYAAK-SECBINFHSA-N -1 1 351.346 2.326 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000390008526 558610721 /nfs/dbraw/zinc/61/07/21/558610721.db2.gz SBDCAYREFAYAAK-VIFPVBQESA-N -1 1 351.346 2.326 20 0 FEADMM CCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000391620988 558614215 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558632302 /nfs/dbraw/zinc/63/23/02/558632302.db2.gz SANOBWUCAKKXRV-UHFFFAOYSA-N -1 1 369.586 2.135 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2F)COc2ccccc2O1 ZINC000528449684 562329931 /nfs/dbraw/zinc/32/99/31/562329931.db2.gz DEYOLRXKKDAEQQ-MRXNPFEDSA-N -1 1 355.362 2.473 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)o2)CCCC[C@H]1O ZINC000408215960 558657681 /nfs/dbraw/zinc/65/76/81/558657681.db2.gz VHBWOVKGUUMAJN-BXKDBHETSA-N -1 1 352.250 2.262 20 0 FEADMM O=C(c1cncc([O-])c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000524696996 562232520 /nfs/dbraw/zinc/23/25/20/562232520.db2.gz TUDMZKCVEHRBQI-UHFFFAOYSA-N -1 1 351.204 2.224 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000525897360 562258955 /nfs/dbraw/zinc/25/89/55/562258955.db2.gz CCCZABZMTBICKS-BRWVUGGUSA-N -1 1 368.437 2.169 20 0 FEADMM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1c[n-]c2c(cnn2C)c1=O)C1CC1 ZINC000412502226 559039618 /nfs/dbraw/zinc/03/96/18/559039618.db2.gz BKBVQIDAQCYMEB-SNVBAGLBSA-N -1 1 360.414 2.009 20 0 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353.806 2.396 20 0 FEADMM CC(C)c1nn(-c2ccccc2)cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000424786709 559676625 /nfs/dbraw/zinc/67/66/25/559676625.db2.gz UFIBZIDWZCHRDW-CYBMUJFWSA-N -1 1 353.430 2.385 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CCC[C@H](F)C3)CC2)n1 ZINC000424806811 559677258 /nfs/dbraw/zinc/67/72/58/559677258.db2.gz IMJIWTBIVOUCOI-STQMWFEESA-N -1 1 352.410 2.216 20 0 FEADMM C[C@H](N=c1ccc(N2CCC(CS(C)(=O)=O)CC2)n[n-]1)c1ccccc1 ZINC000425265463 559694045 /nfs/dbraw/zinc/69/40/45/559694045.db2.gz DTKVTLYNRBHFJF-HNNXBMFYSA-N -1 1 374.510 2.911 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N[C@@H]2CC[C@H]2O)nc1 ZINC000425282332 559694718 /nfs/dbraw/zinc/69/47/18/559694718.db2.gz KSUFWULWCLDFDH-ZIAGYGMSSA-N -1 1 355.366 2.096 20 0 FEADMM Cc1onc(-c2ccncc2)c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425301453 559695551 /nfs/dbraw/zinc/69/55/51/559695551.db2.gz MCLUYGZVPQBQPB-LBPRGKRZSA-N -1 1 355.354 2.153 20 0 FEADMM CCOCc1nc(C)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)s1 ZINC000425303383 559695677 /nfs/dbraw/zinc/69/56/77/559695677.db2.gz OHIYYLKGKHWPLQ-SNVBAGLBSA-N -1 1 352.416 2.096 20 0 FEADMM CCOc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H](c3n[n-]c(=O)o3)C1)CO2 ZINC000425308154 559695775 /nfs/dbraw/zinc/69/57/75/559695775.db2.gz VDUCTPVZTQAGON-JSGCOSHPSA-N -1 1 373.409 2.131 20 0 FEADMM O=C(COCc1cccc(Cl)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318443 559696441 /nfs/dbraw/zinc/69/64/41/559696441.db2.gz HXCKATIRNNPALS-UHFFFAOYSA-N -1 1 351.790 2.351 20 0 FEADMM O=C([C@H]1CCN(c2ccccc2F)C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425323459 559696635 /nfs/dbraw/zinc/69/66/35/559696635.db2.gz OQXTXFJACPSVPD-ZDUSSCGKSA-N -1 1 360.389 2.147 20 0 FEADMM COc1ccnc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000425610592 559711459 /nfs/dbraw/zinc/71/14/59/559711459.db2.gz QFQIISLTXCMEJD-UHFFFAOYSA-N -1 1 367.427 2.037 20 0 FEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000425920350 559725245 /nfs/dbraw/zinc/72/52/45/559725245.db2.gz PTIHAFKSIJEAFP-UHFFFAOYSA-N -1 1 366.393 2.706 20 0 FEADMM Cc1cnc(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)c([O-])c1 ZINC000427139519 559748992 /nfs/dbraw/zinc/74/89/92/559748992.db2.gz HMBOJXFEKIFLPY-MRXNPFEDSA-N -1 1 353.422 2.059 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)s1 ZINC000427303285 559752768 /nfs/dbraw/zinc/75/27/68/559752768.db2.gz YVNVOEBIKJRVAT-UHFFFAOYSA-N -1 1 359.356 2.173 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnn(CCC(C)C)c1CC ZINC000427381062 559754443 /nfs/dbraw/zinc/75/44/43/559754443.db2.gz CCSCYJFZNINJOU-UHFFFAOYSA-N -1 1 361.446 2.654 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cnn(C)c2C)c(F)cc1C ZINC000427747198 559761391 /nfs/dbraw/zinc/76/13/91/559761391.db2.gz UABNOYIZCUIPLR-UHFFFAOYSA-N -1 1 355.391 2.154 20 0 FEADMM COC(=O)[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(OC)c(Cl)c1 ZINC000427812524 559763281 /nfs/dbraw/zinc/76/32/81/559763281.db2.gz RFVONGCBYDWGDQ-CQSZACIVSA-N -1 1 364.785 2.402 20 0 FEADMM COC(=O)[C@@](C)(NC(=O)c1csc(=NC2CC2)[n-]1)c1ccc(F)cc1 ZINC000428563833 559778487 /nfs/dbraw/zinc/77/84/87/559778487.db2.gz CZAWDWJILZBXHN-KRWDZBQOSA-N -1 1 363.414 2.675 20 0 FEADMM COc1cc(NC(=O)NCc2ccncc2C)ccc1[N-]S(C)(=O)=O ZINC000429427906 559798460 /nfs/dbraw/zinc/79/84/60/559798460.db2.gz ORCCIZHHQILXOU-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM Cn1[n-]c(CN2CCC[C@@H]2c2ccc(Br)c(F)c2)nc1=O ZINC000430218704 559815555 /nfs/dbraw/zinc/81/55/55/559815555.db2.gz NRAFZPMXXWZQHZ-GFCCVEGCSA-N -1 1 355.211 2.347 20 0 FEADMM COc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2s1 ZINC000430978634 559831825 /nfs/dbraw/zinc/83/18/25/559831825.db2.gz PTDQDBAYWOMVHY-UHFFFAOYSA-N -1 1 367.408 2.142 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)s1 ZINC000431156321 559835084 /nfs/dbraw/zinc/83/50/84/559835084.db2.gz KJHHBKRQVCLDOB-UHFFFAOYSA-N -1 1 353.404 2.281 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c1 ZINC000432634307 559862149 /nfs/dbraw/zinc/86/21/49/559862149.db2.gz RVUMWBMFHYLFGR-UHFFFAOYSA-N -1 1 374.418 2.183 20 0 FEADMM CCCC[C@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)Nc1cc(C)on1 ZINC000432652539 559862502 /nfs/dbraw/zinc/86/25/02/559862502.db2.gz CALMUHJJYPNTSL-NSHDSACASA-N -1 1 352.416 2.782 20 0 FEADMM CCCC[C@H](Sc1nc(C(=O)OC)c[n-]1)C(=O)Nc1cc(C)on1 ZINC000432652539 559862503 /nfs/dbraw/zinc/86/25/03/559862503.db2.gz CALMUHJJYPNTSL-NSHDSACASA-N -1 1 352.416 2.782 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(-c4ccccc4)n[nH]3)cc12 ZINC000434966094 559913500 /nfs/dbraw/zinc/91/35/00/559913500.db2.gz ADOXETNZLFUNLY-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)ncn4C)cc21 ZINC000435198057 559917768 /nfs/dbraw/zinc/91/77/68/559917768.db2.gz WKEKEBFQVGNLNV-UHFFFAOYSA-N -1 1 370.434 2.283 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCc3cn(C(C)C)nc3C2)sc1C ZINC000435221944 559918263 /nfs/dbraw/zinc/91/82/63/559918263.db2.gz FIPNMUPYASUDQL-ZDUSSCGKSA-N -1 1 354.501 2.373 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1 ZINC000436502331 559943480 /nfs/dbraw/zinc/94/34/80/559943480.db2.gz CGAMUJDIPOKUIM-UHFFFAOYSA-N -1 1 356.378 2.164 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2cc(F)cc3c2OCOC3)c1 ZINC000436508326 559943681 /nfs/dbraw/zinc/94/36/81/559943681.db2.gz ZCPBCZGXVSJHTF-UHFFFAOYSA-N -1 1 361.325 2.366 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)ccc2-n2cnnc2)c1 ZINC000436506466 559943725 /nfs/dbraw/zinc/94/37/25/559943725.db2.gz TWHBVXJPZGKMKO-UHFFFAOYSA-N -1 1 352.350 2.320 20 0 FEADMM COCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436604699 559946330 /nfs/dbraw/zinc/94/63/30/559946330.db2.gz JOZQJABVPRIEIO-KRWDZBQOSA-N -1 1 358.438 2.453 20 0 FEADMM O=C(NCCc1nnnn1-c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436614515 559946539 /nfs/dbraw/zinc/94/65/39/559946539.db2.gz YLUYIINQBMMSDO-UHFFFAOYSA-N -1 1 359.389 2.494 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1S(=O)(=O)NC1CC1 ZINC000436616242 559946716 /nfs/dbraw/zinc/94/67/16/559946716.db2.gz DCGWQWCRHOAROW-UHFFFAOYSA-N -1 1 362.407 2.099 20 0 FEADMM COc1ccc(C(=O)Nc2n[nH]c(-c3ccc(OC)cc3OC)n2)c([O-])c1 ZINC000436647316 559947436 /nfs/dbraw/zinc/94/74/36/559947436.db2.gz JJQBOZUQIHSRPB-UHFFFAOYSA-N -1 1 370.365 2.455 20 0 FEADMM Cc1c(NC(=O)C(=O)c2ccc([O-])cc2)nnn1Cc1ccccc1F ZINC000436643356 559947613 /nfs/dbraw/zinc/94/76/13/559947613.db2.gz WVZYAVXKMINQGE-UHFFFAOYSA-N -1 1 354.341 2.301 20 0 FEADMM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000436716383 559949786 /nfs/dbraw/zinc/94/97/86/559949786.db2.gz AIKMKQWKGJIGHZ-GFCCVEGCSA-N -1 1 366.414 2.018 20 0 FEADMM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000436715334 559949843 /nfs/dbraw/zinc/94/98/43/559949843.db2.gz KRDBQNNHYJHGQO-GFCCVEGCSA-N -1 1 366.414 2.018 20 0 FEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000436725605 559950094 /nfs/dbraw/zinc/95/00/94/559950094.db2.gz SMUCXLGWVCROKJ-UHFFFAOYSA-N -1 1 364.335 2.046 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436725916 559950247 /nfs/dbraw/zinc/95/02/47/559950247.db2.gz WBWLLJPUAZZHHO-SUMWQHHRSA-N -1 1 355.390 2.112 20 0 FEADMM CC(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCOCC1 ZINC000436755361 559950980 /nfs/dbraw/zinc/95/09/80/559950980.db2.gz LMRYACVHFJIDOT-AWEZNQCLSA-N -1 1 371.275 2.241 20 0 FEADMM CC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@H](C)S1(=O)=O ZINC000436794205 559952282 /nfs/dbraw/zinc/95/22/82/559952282.db2.gz ULADBOBQALHRFF-ONGXEEELSA-N -1 1 361.847 2.092 20 0 FEADMM O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436844919 559954155 /nfs/dbraw/zinc/95/41/55/559954155.db2.gz QHOMGYOQACDSSB-SNVBAGLBSA-N -1 1 362.323 2.452 20 0 FEADMM O=C1CN(c2ccc(-c3noc(-c4cc(F)ccc4[O-])n3)cc2)CCN1 ZINC000436907688 559956066 /nfs/dbraw/zinc/95/60/66/559956066.db2.gz STSKNBKRYGFPQU-UHFFFAOYSA-N -1 1 354.341 2.185 20 0 FEADMM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000436920768 559956442 /nfs/dbraw/zinc/95/64/42/559956442.db2.gz QQHUIEAATYKUEZ-CQSZACIVSA-N -1 1 374.824 2.455 20 0 FEADMM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000436918864 559956515 /nfs/dbraw/zinc/95/65/15/559956515.db2.gz JFCNAWYBBJUXBH-AWEZNQCLSA-N -1 1 374.824 2.455 20 0 FEADMM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cc2ccccc2cc1[O-] ZINC000436922490 559956532 /nfs/dbraw/zinc/95/65/32/559956532.db2.gz NUPONUUGEZUHDO-UHFFFAOYSA-N -1 1 370.430 2.465 20 0 FEADMM Cc1noc(CCCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)n1 ZINC000436917350 559956574 /nfs/dbraw/zinc/95/65/74/559956574.db2.gz XJENNRSWMZKPEL-UHFFFAOYSA-N -1 1 362.777 2.484 20 0 FEADMM Cc1noc(CCCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)n1 ZINC000436917350 559956575 /nfs/dbraw/zinc/95/65/75/559956575.db2.gz XJENNRSWMZKPEL-UHFFFAOYSA-N -1 1 362.777 2.484 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1O ZINC000436963486 559957760 /nfs/dbraw/zinc/95/77/60/559957760.db2.gz NZNGOAPWUSTQIT-UHFFFAOYSA-N -1 1 350.396 2.046 20 0 FEADMM O=C(NCc1cccc(N2CCCS2(=O)=O)c1)c1c([O-])cccc1F ZINC000436986907 559958573 /nfs/dbraw/zinc/95/85/73/559958573.db2.gz HSBITPIQKGVHFY-UHFFFAOYSA-N -1 1 364.398 2.001 20 0 FEADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCCF)c([O-])c2)c1 ZINC000437682361 559967918 /nfs/dbraw/zinc/96/79/18/559967918.db2.gz SZDRIWQLPWTWJJ-UHFFFAOYSA-N -1 1 362.357 2.361 20 0 FEADMM O=C(NC1(CO)Cc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000437967874 559972247 /nfs/dbraw/zinc/97/22/47/559972247.db2.gz DMCFBEUZEPFPAO-UHFFFAOYSA-N -1 1 362.223 2.414 20 0 FEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2[nH]nc(CC)c2C)c1 ZINC000438253504 559976196 /nfs/dbraw/zinc/97/61/96/559976196.db2.gz LEEBGDXZZYGVSC-UHFFFAOYSA-N -1 1 355.391 2.397 20 0 FEADMM COc1cccc(CCNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)n1 ZINC000441795278 560039186 /nfs/dbraw/zinc/03/91/86/560039186.db2.gz AOVXPJRICZQZRN-UHFFFAOYSA-N -1 1 351.410 2.919 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)c1 ZINC000442231960 560046618 /nfs/dbraw/zinc/04/66/18/560046618.db2.gz BDYDANHVAIIQEG-UHFFFAOYSA-N -1 1 363.395 2.097 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000442357210 560049682 /nfs/dbraw/zinc/04/96/82/560049682.db2.gz HLXOKFOAWYFMSR-UHFFFAOYSA-N -1 1 373.434 2.074 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)c1cccc(C)c1 ZINC000443035228 560067203 /nfs/dbraw/zinc/06/72/03/560067203.db2.gz TUOGXASCJHOTRJ-UHFFFAOYSA-N -1 1 365.455 2.151 20 0 FEADMM CC[C@@]1(C)CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000443604959 560088390 /nfs/dbraw/zinc/08/83/90/560088390.db2.gz PBGQRIWRFFMTKY-INIZCTEOSA-N -1 1 371.459 2.100 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3N(C)C2)sc1C ZINC000444278985 560107960 /nfs/dbraw/zinc/10/79/60/560107960.db2.gz UZBFLNRQEKGTRX-CYBMUJFWSA-N -1 1 351.497 2.347 20 0 FEADMM CC(C)(NC(=O)c1ccc(Br)c(Cl)c1F)c1nn[n-]n1 ZINC000444297200 560108546 /nfs/dbraw/zinc/10/85/46/560108546.db2.gz IMWAULOVNWMOFA-UHFFFAOYSA-N -1 1 362.590 2.420 20 0 FEADMM O=C(CCS(=O)(=O)c1nc[n-]n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000444405248 560113085 /nfs/dbraw/zinc/11/30/85/560113085.db2.gz QGMRKALHAJGAIC-UHFFFAOYSA-N -1 1 372.406 2.400 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444668812 560117702 /nfs/dbraw/zinc/11/77/02/560117702.db2.gz ZQKUAIZCAJTFTL-AWEZNQCLSA-N -1 1 357.801 2.438 20 0 FEADMM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1nnc2ccccn21 ZINC000446812569 560152078 /nfs/dbraw/zinc/15/20/78/560152078.db2.gz AWUMNVOYEYLILL-UHFFFAOYSA-N -1 1 367.228 2.434 20 0 FEADMM O=C(NCC1(CO)CC(c2ccccc2)C1)c1csc(=NC2CC2)[n-]1 ZINC000447624901 560165450 /nfs/dbraw/zinc/16/54/50/560165450.db2.gz STHHXQAPNZJVDG-UHFFFAOYSA-N -1 1 357.479 3.004 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cccnc3C)c2)n1 ZINC000447667286 560166368 /nfs/dbraw/zinc/16/63/68/560166368.db2.gz DRIWCGJIRCPYSF-UHFFFAOYSA-N -1 1 365.393 2.282 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](C)CSC)c2)n1 ZINC000447682558 560166923 /nfs/dbraw/zinc/16/69/23/560166923.db2.gz ZVUSBKLSXSBCOE-NSHDSACASA-N -1 1 362.455 2.264 20 0 FEADMM O=S1(=O)Nc2ccccc2N1CCN=c1nc(-c2ccccc2)[n-]s1 ZINC000447687529 560167241 /nfs/dbraw/zinc/16/72/41/560167241.db2.gz UVCVLEDSJHWMLT-UHFFFAOYSA-N -1 1 373.463 2.216 20 0 FEADMM COCC1(C)CN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000447883423 560172240 /nfs/dbraw/zinc/17/22/40/560172240.db2.gz UTVZLNNDKOGPND-UHFFFAOYSA-N -1 1 361.179 2.105 20 0 FEADMM O=C(NCCO)c1ccc(=NC[C@@H]2CCCC[C@@H]2c2ccccc2)[n-]n1 ZINC000450891199 560276884 /nfs/dbraw/zinc/27/68/84/560276884.db2.gz YSKJDWDLINGROW-DLBZAZTESA-N -1 1 354.454 2.585 20 0 FEADMM CCCn1ncc([N-]S(=O)(=O)CCOCC(F)(F)F)c1C1CC1 ZINC000451093832 560286696 /nfs/dbraw/zinc/28/66/96/560286696.db2.gz ONPDPDIIJLXTQH-UHFFFAOYSA-N -1 1 355.382 2.491 20 0 FEADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C ZINC000451113740 560287877 /nfs/dbraw/zinc/28/78/77/560287877.db2.gz JFYLGYHPIUUUMZ-UHFFFAOYSA-N -1 1 366.443 2.058 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c1 ZINC000451116275 560287986 /nfs/dbraw/zinc/28/79/86/560287986.db2.gz PXWJHYINOJBILJ-UHFFFAOYSA-N -1 1 354.457 2.155 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc(C)c1F ZINC000451116466 560288042 /nfs/dbraw/zinc/28/80/42/560288042.db2.gz QTIRKWCIKVFSEL-UHFFFAOYSA-N -1 1 354.407 2.189 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000451152521 560290184 /nfs/dbraw/zinc/29/01/84/560290184.db2.gz BXBXFERUKMDWAZ-UWVGGRQHSA-N -1 1 350.893 2.469 20 0 FEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451205179 560292971 /nfs/dbraw/zinc/29/29/71/560292971.db2.gz XCZSGJYAHHIKLW-SMDDNHRTSA-N -1 1 368.430 2.497 20 0 FEADMM O=S(=O)([N-]CCCOC[C@@H]1CCOC1)c1cc2cc(F)ccc2o1 ZINC000451234342 560294775 /nfs/dbraw/zinc/29/47/75/560294775.db2.gz CWNXBRDLQMGPRG-LBPRGKRZSA-N -1 1 357.403 2.293 20 0 FEADMM NC(=O)[C@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451319858 560300034 /nfs/dbraw/zinc/30/00/34/560300034.db2.gz OCOWQWJZJAYQAG-QWHCGFSZSA-N -1 1 354.403 2.284 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)oc1C ZINC000451644645 560318938 /nfs/dbraw/zinc/31/89/38/560318938.db2.gz YIPXBVGBRQABDK-JTQLQIEISA-N -1 1 351.371 2.478 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451637422 560318495 /nfs/dbraw/zinc/31/84/95/560318495.db2.gz AXJQUSGDABFHGX-MRVPVSSYSA-N -1 1 354.400 2.034 20 0 FEADMM C[C@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(C)(F)F ZINC000451688774 560321928 /nfs/dbraw/zinc/32/19/28/560321928.db2.gz KKNRIIVNRLKSNA-AAEUAGOBSA-N -1 1 352.447 2.131 20 0 FEADMM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000451945077 560339850 /nfs/dbraw/zinc/33/98/50/560339850.db2.gz IIDYJJKBOWVVHE-SCZZXKLOSA-N -1 1 351.346 2.114 20 0 FEADMM CO[C@H]1COCC[C@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000452622081 560369225 /nfs/dbraw/zinc/36/92/25/560369225.db2.gz QEHHDSUDHYAIEK-BONVTDFDSA-N -1 1 350.802 2.375 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cc(C)cc(C(N)=O)c2)c(=O)[n-]1 ZINC000456173150 560509636 /nfs/dbraw/zinc/50/96/36/560509636.db2.gz WWJWSTZPOBHQPK-UHFFFAOYSA-N -1 1 360.439 2.191 20 0 FEADMM CO[C@H]1C[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C12CCC2 ZINC000458183926 560607511 /nfs/dbraw/zinc/60/75/11/560607511.db2.gz FXXCPVGLTGZHRK-HOTGVXAUSA-N -1 1 368.437 2.169 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458340615 560615741 /nfs/dbraw/zinc/61/57/41/560615741.db2.gz VNARGMIGEPIBIF-IUCAKERBSA-N -1 1 361.204 2.327 20 0 FEADMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459402231 560684544 /nfs/dbraw/zinc/68/45/44/560684544.db2.gz FPECJXCQSSGHNX-DLBZAZTESA-N -1 1 371.437 2.392 20 0 FEADMM Cc1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c([O-])c1 ZINC000460197847 560737824 /nfs/dbraw/zinc/73/78/24/560737824.db2.gz KRWNKDMWNSKHFW-ZDUSSCGKSA-N -1 1 361.398 2.389 20 0 FEADMM Cc1cnc(C(=O)N2CCN(c3ncnc4ccsc43)CC2)c([O-])c1 ZINC000460202582 560737942 /nfs/dbraw/zinc/73/79/42/560737942.db2.gz GASIXHJDHJXJJJ-UHFFFAOYSA-N -1 1 355.423 2.063 20 0 FEADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1 ZINC000460826335 560752881 /nfs/dbraw/zinc/75/28/81/560752881.db2.gz HEYFHRSLVDEFOA-UHFFFAOYSA-N -1 1 374.422 2.301 20 0 FEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000460830178 560752925 /nfs/dbraw/zinc/75/29/25/560752925.db2.gz RIUMZNZLBHNMFI-UHFFFAOYSA-N -1 1 371.422 2.003 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(C(F)(F)F)s3)ccnc1-2 ZINC000461109782 560761671 /nfs/dbraw/zinc/76/16/71/560761671.db2.gz UCBSSTJHKMICAF-UHFFFAOYSA-N -1 1 362.358 2.223 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3nc2C)c1 ZINC000461457576 560772209 /nfs/dbraw/zinc/77/22/09/560772209.db2.gz RHJKSDSECSZALJ-UHFFFAOYSA-N -1 1 371.418 2.409 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2cccc(F)c2)c1 ZINC000461458496 560772316 /nfs/dbraw/zinc/77/23/16/560772316.db2.gz XQPYOWRFAYCYAY-LLVKDONJSA-N -1 1 366.414 2.257 20 0 FEADMM O=C(NC[C@H](CO)C1CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461621196 560777442 /nfs/dbraw/zinc/77/74/42/560777442.db2.gz ZTSUHMRPLLMNML-MRXNPFEDSA-N -1 1 374.462 2.236 20 0 FEADMM COC(=O)c1cc(Br)cc(C(=O)Nc2ccncc2[O-])c1 ZINC000462051062 560794007 /nfs/dbraw/zinc/79/40/07/560794007.db2.gz LZRCNGFKJBKPKS-UHFFFAOYSA-N -1 1 351.156 2.011 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)o1 ZINC000462403833 560808845 /nfs/dbraw/zinc/80/88/45/560808845.db2.gz SMCBBYYBPKZSIQ-GFCCVEGCSA-N -1 1 356.425 2.261 20 0 FEADMM COc1cc(NC(=O)NC[C@](C)(OC)C2CC2)ccc1[N-]S(C)(=O)=O ZINC000463738652 560822511 /nfs/dbraw/zinc/82/25/11/560822511.db2.gz RAKCKJHVUUOAIJ-INIZCTEOSA-N -1 1 371.459 2.003 20 0 FEADMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOC1 ZINC000464220355 560836576 /nfs/dbraw/zinc/83/65/76/560836576.db2.gz YTQBEHLSNAHIDG-LLVKDONJSA-N -1 1 374.267 2.055 20 0 FEADMM Cc1ccc2nc(CNC(=O)N=c3[n-]nc(C(F)(F)F)s3)[nH]c2c1 ZINC000466774454 560895257 /nfs/dbraw/zinc/89/52/57/560895257.db2.gz HXPUJKZYQPBUCW-UHFFFAOYSA-N -1 1 356.333 3.063 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(C)cn4c3)cc2oc1=O ZINC000467041586 560902138 /nfs/dbraw/zinc/90/21/38/560902138.db2.gz VTLGDZZNISFOFB-UHFFFAOYSA-N -1 1 372.406 2.371 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)ccc1C ZINC000467078309 560903000 /nfs/dbraw/zinc/90/30/00/560903000.db2.gz HBGFVKDUUJVZGZ-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM COc1ccc(NC(=O)c2cn3ccnc3s2)cc1[N-]S(C)(=O)=O ZINC000467503695 560911389 /nfs/dbraw/zinc/91/13/89/560911389.db2.gz PRRQKPVTXWAWTG-UHFFFAOYSA-N -1 1 366.424 2.028 20 0 FEADMM CC[C@]1(C)CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000467778728 560917045 /nfs/dbraw/zinc/91/70/45/560917045.db2.gz SCWDTFDKZGMMTE-CQSZACIVSA-N -1 1 364.464 2.008 20 0 FEADMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000467864449 560918980 /nfs/dbraw/zinc/91/89/80/560918980.db2.gz BEUTYZWABKYVIU-ZBFHGGJFSA-N -1 1 353.422 2.312 20 0 FEADMM CCC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000467951058 560920135 /nfs/dbraw/zinc/92/01/35/560920135.db2.gz ZJDLUNMCOPOXLE-UHFFFAOYSA-N -1 1 364.398 2.335 20 0 FEADMM CCNc1cnc(-c2noc(CCc3c(C)nc(SC)[n-]c3=O)n2)cn1 ZINC000468083269 560922308 /nfs/dbraw/zinc/92/23/08/560922308.db2.gz SOYNWDKKNSIHCO-UHFFFAOYSA-N -1 1 373.442 2.270 20 0 FEADMM COc1ccc(OCCCN=c2ccc(C(=O)NC3CCCC3)n[n-]2)cc1 ZINC000468641454 560934792 /nfs/dbraw/zinc/93/47/92/560934792.db2.gz ZOSOFUFBDAUHMO-UHFFFAOYSA-N -1 1 370.453 3.039 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1C)c1ccc2c(c1)CCO2 ZINC000468843053 560940245 /nfs/dbraw/zinc/94/02/45/560940245.db2.gz GKRRRBSRANDPNX-AWEZNQCLSA-N -1 1 367.448 2.184 20 0 FEADMM CC[C@H](C)[C@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000468866539 560940783 /nfs/dbraw/zinc/94/07/83/560940783.db2.gz GFJIXVRQDNVKPA-ZFWWWQNUSA-N -1 1 359.499 2.599 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)oc1C ZINC000469185960 560949252 /nfs/dbraw/zinc/94/92/52/560949252.db2.gz ZKEYXOFSWSHSBY-UHFFFAOYSA-N -1 1 355.416 2.487 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(C)c(C)c1 ZINC000469240260 560950662 /nfs/dbraw/zinc/95/06/62/560950662.db2.gz WVLHNGUHXNWZEB-CVEARBPZSA-N -1 1 355.456 2.006 20 0 FEADMM Cc1cc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469641383 560960646 /nfs/dbraw/zinc/96/06/46/560960646.db2.gz BVYDQALHYMBESI-SECBINFHSA-N -1 1 370.340 2.311 20 0 FEADMM Cc1cc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469641383 560960647 /nfs/dbraw/zinc/96/06/47/560960647.db2.gz BVYDQALHYMBESI-SECBINFHSA-N -1 1 370.340 2.311 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000470972205 560995641 /nfs/dbraw/zinc/99/56/41/560995641.db2.gz RABXBXITDRCLFS-UHFFFAOYSA-N -1 1 371.404 2.472 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000470979447 560995694 /nfs/dbraw/zinc/99/56/94/560995694.db2.gz JQJUEVFLERRXBO-ZJUUUORDSA-N -1 1 353.304 2.007 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000470975560 560995790 /nfs/dbraw/zinc/99/57/90/560995790.db2.gz OSLYHKZIAMJKLN-UHFFFAOYSA-N -1 1 372.479 2.260 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)ccc1F ZINC000471614882 561008795 /nfs/dbraw/zinc/00/87/95/561008795.db2.gz XDBDBLJQVIHNEM-UHFFFAOYSA-N -1 1 352.387 2.271 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(F)c1 ZINC000471961862 561015083 /nfs/dbraw/zinc/01/50/83/561015083.db2.gz XHILRPGCQXRPHW-UHFFFAOYSA-N -1 1 351.334 2.346 20 0 FEADMM Cc1nc2cc(C(=O)NCc3c(C)nc4cc(=O)[n-]n4c3C)ccc2o1 ZINC000472166245 561019974 /nfs/dbraw/zinc/01/99/74/561019974.db2.gz VPXKPNPNAXEHJU-UHFFFAOYSA-N -1 1 351.366 2.431 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cncn1CC)c1cccc(C)c1C ZINC000472741861 561034197 /nfs/dbraw/zinc/03/41/97/561034197.db2.gz XWHFRBKKGACAFF-INIZCTEOSA-N -1 1 365.455 2.103 20 0 FEADMM COc1csc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c1 ZINC000473467777 561050550 /nfs/dbraw/zinc/05/05/50/561050550.db2.gz ANRNKWPYUUJHTP-UHFFFAOYSA-N -1 1 356.425 2.389 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(Cl)c1 ZINC000474871354 561084543 /nfs/dbraw/zinc/08/45/43/561084543.db2.gz GAYXQZKOQYQCIV-UHFFFAOYSA-N -1 1 372.834 2.293 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(Cl)c1 ZINC000474871354 561084544 /nfs/dbraw/zinc/08/45/44/561084544.db2.gz GAYXQZKOQYQCIV-UHFFFAOYSA-N -1 1 372.834 2.293 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000474875328 561084668 /nfs/dbraw/zinc/08/46/68/561084668.db2.gz RSYNDDLJTOHLHJ-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)[n-]1 ZINC000474875328 561084669 /nfs/dbraw/zinc/08/46/69/561084669.db2.gz RSYNDDLJTOHLHJ-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM CO[C@H](C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475722766 561103414 /nfs/dbraw/zinc/10/34/14/561103414.db2.gz LVISECNXHWSCKY-GFCCVEGCSA-N -1 1 366.414 2.278 20 0 FEADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccccc3COC)ccc2[nH]1 ZINC000475839562 561106751 /nfs/dbraw/zinc/10/67/51/561106751.db2.gz YNQFUBGLYLXTAD-UHFFFAOYSA-N -1 1 373.434 2.475 20 0 FEADMM COc1cc(NC(=O)[C@@H]2CC(=O)c3ccccc32)ccc1[N-]S(C)(=O)=O ZINC000476048918 561110216 /nfs/dbraw/zinc/11/02/16/561110216.db2.gz HXERMTZVYCHTOD-CQSZACIVSA-N -1 1 374.418 2.375 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(C(C)C)c1 ZINC000476558585 561122468 /nfs/dbraw/zinc/12/24/68/561122468.db2.gz CEQVPJPHVCLNRP-UHFFFAOYSA-N -1 1 351.428 2.188 20 0 FEADMM CC(C)(C)Cc1nc(-c2ccc(C(=O)NC3(c4nn[n-]n4)CC3)cc2)no1 ZINC000477018944 561134469 /nfs/dbraw/zinc/13/44/69/561134469.db2.gz KHBKDTBRTUUOAR-UHFFFAOYSA-N -1 1 367.413 2.257 20 0 FEADMM Cc1cc2cc(C(=O)NC3(c4nn[n-]n4)CC3)oc2c(Br)c1 ZINC000477041453 561134915 /nfs/dbraw/zinc/13/49/15/561134915.db2.gz FIAJYEOKYSSUAX-UHFFFAOYSA-N -1 1 362.187 2.436 20 0 FEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1NC(=O)c1cccs1 ZINC000477048910 561135154 /nfs/dbraw/zinc/13/51/54/561135154.db2.gz LCTMTSRBOUMDNB-UHFFFAOYSA-N -1 1 368.422 2.241 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@H]4CC[C@@H](C3)[S@]4=O)nc2)[n-]c(=O)c1C ZINC000528222711 562319112 /nfs/dbraw/zinc/31/91/12/562319112.db2.gz UPYXLCMDDPGWLK-XESHVACXSA-N -1 1 358.467 2.351 20 0 FEADMM C[C@H](c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)[nH]n1)c1ccccc1 ZINC000528883965 562351593 /nfs/dbraw/zinc/35/15/93/562351593.db2.gz XHQARRGTABCPHJ-JSGCOSHPSA-N -1 1 351.414 2.094 20 0 FEADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000529040944 562357716 /nfs/dbraw/zinc/35/77/16/562357716.db2.gz GQFSFUQJTKPIDQ-PJPUWKJESA-N -1 1 367.812 2.257 20 0 FEADMM COCc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530134765 562399226 /nfs/dbraw/zinc/39/92/26/562399226.db2.gz UMCTYTNRIIBBIU-UHFFFAOYSA-N -1 1 372.446 2.469 20 0 FEADMM Cc1ccccc1-c1nc(=N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[nH]1 ZINC000530251137 562404154 /nfs/dbraw/zinc/40/41/54/562404154.db2.gz FMSKPDPSSOJLHG-KBPBESRZSA-N -1 1 374.466 2.057 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000530351949 562407970 /nfs/dbraw/zinc/40/79/70/562407970.db2.gz IUUPQBSWUXKOOX-UHFFFAOYSA-N -1 1 352.387 2.385 20 0 FEADMM Cc1cc(N2CCC([N-]S(=O)(=O)c3cc4ccccc4o3)CC2)n[nH]1 ZINC000530464048 562412279 /nfs/dbraw/zinc/41/22/79/562412279.db2.gz UHCHCHZNONFRAU-UHFFFAOYSA-N -1 1 360.439 2.412 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(-n4cncn4)cc3)cnc2n1 ZINC000530641052 562418801 /nfs/dbraw/zinc/41/88/01/562418801.db2.gz DLRVSJYOXRFDCE-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3ccc(-n4cncn4)cc3)c[n-]c2n1 ZINC000530641052 562418802 /nfs/dbraw/zinc/41/88/02/562418802.db2.gz DLRVSJYOXRFDCE-UHFFFAOYSA-N -1 1 360.377 2.155 20 0 FEADMM O=C(NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cncc([O-])c1 ZINC000531119294 562435219 /nfs/dbraw/zinc/43/52/19/562435219.db2.gz SPORXMSKYAIOLQ-GFCCVEGCSA-N -1 1 370.327 2.267 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000532266783 562472144 /nfs/dbraw/zinc/47/21/44/562472144.db2.gz SGEREKNAPXYPQT-CYBMUJFWSA-N -1 1 372.352 2.294 20 0 FEADMM C[C@@H]1Cc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc2N1S(C)(=O)=O ZINC000532621100 562483422 /nfs/dbraw/zinc/48/34/22/562483422.db2.gz WSZMSPGQWXWELP-SNVBAGLBSA-N -1 1 364.398 2.494 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)n[nH]2)cc1OC ZINC000532875175 562491377 /nfs/dbraw/zinc/49/13/77/562491377.db2.gz RFDDWRIDQMXPCW-LBPRGKRZSA-N -1 1 373.409 2.421 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000533520572 562511491 /nfs/dbraw/zinc/51/14/91/562511491.db2.gz FPMDTDUMQDQNIR-HZPDHXFCSA-N -1 1 372.469 2.259 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)nn2C2CCOCC2)c1 ZINC000533648568 562515442 /nfs/dbraw/zinc/51/54/42/562515442.db2.gz OLGHJAQXDSYCQI-UHFFFAOYSA-N -1 1 358.398 2.459 20 0 FEADMM Cc1cnc(CC[N-]S(=O)(=O)c2sccc2Br)nc1 ZINC000533913372 562521099 /nfs/dbraw/zinc/52/10/99/562521099.db2.gz BBYLXHYJFYNPLO-UHFFFAOYSA-N -1 1 362.274 2.130 20 0 FEADMM CC[C@@H](C[C@@H](C)CO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000533975381 562522730 /nfs/dbraw/zinc/52/27/30/562522730.db2.gz SNTYMKZIVNBCMJ-CJNGLKHVSA-N -1 1 372.469 2.399 20 0 FEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1-c1ccccc1 ZINC000534682039 562540284 /nfs/dbraw/zinc/54/02/84/562540284.db2.gz CCYQCLNDSOSUBB-UHFFFAOYSA-N -1 1 356.407 2.285 20 0 FEADMM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000534785740 562542303 /nfs/dbraw/zinc/54/23/03/562542303.db2.gz ZZHZFJXHRZZAKK-UHFFFAOYSA-N -1 1 374.846 2.032 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)s1 ZINC000534822551 562543113 /nfs/dbraw/zinc/54/31/13/562543113.db2.gz CVCJLWRNMIJUHG-QMMMGPOBSA-N -1 1 368.440 2.204 20 0 FEADMM CCc1nn(C)c(CC)c1CNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000535152874 562552199 /nfs/dbraw/zinc/55/21/99/562552199.db2.gz KBYWVNHQMYSGER-UHFFFAOYSA-N -1 1 353.426 2.432 20 0 FEADMM CCc1nn(C)c(CC)c1CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000535152874 562552200 /nfs/dbraw/zinc/55/22/00/562552200.db2.gz KBYWVNHQMYSGER-UHFFFAOYSA-N -1 1 353.426 2.432 20 0 FEADMM Cc1cc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)ccc1C(=O)[O-] ZINC000536385570 562574560 /nfs/dbraw/zinc/57/45/60/562574560.db2.gz GNBJFJOAFWVXHX-UHFFFAOYSA-N -1 1 366.377 2.328 20 0 FEADMM CCn1c(Sc2nc3c(cnn3C)c(=O)[n-]2)nnc1-c1ccccc1 ZINC000536532369 562578113 /nfs/dbraw/zinc/57/81/13/562578113.db2.gz PMHSHGGJKYCETE-UHFFFAOYSA-N -1 1 353.411 2.499 20 0 FEADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1c(F)ccc([O-])c1F ZINC000537220592 562588083 /nfs/dbraw/zinc/58/80/83/562588083.db2.gz QQHAERLIPVGOQU-UHFFFAOYSA-N -1 1 362.336 2.205 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC000540803869 562593438 /nfs/dbraw/zinc/59/34/38/562593438.db2.gz MRCISCDQENOPGA-UHFFFAOYSA-N -1 1 365.392 2.008 20 0 FEADMM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CCC2 ZINC000541835797 562621078 /nfs/dbraw/zinc/62/10/78/562621078.db2.gz GBVMMNYDFBZSHV-OAHLLOKOSA-N -1 1 351.410 2.348 20 0 FEADMM O=C(c1cncn1-c1ccc(F)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550099859 562642494 /nfs/dbraw/zinc/64/24/94/562642494.db2.gz ASXHFYHPSQNHKA-UHFFFAOYSA-N -1 1 357.345 2.120 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1CCCCC1=O ZINC000556294900 674395462 /nfs/dbraw/zinc/39/54/62/674395462.db2.gz ZNPWKDZSGGSEGU-NSHDSACASA-N -1 1 354.403 2.251 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000556363083 674398708 /nfs/dbraw/zinc/39/87/08/674398708.db2.gz SBLBZLRAORMIJJ-HNNXBMFYSA-N -1 1 366.439 2.306 20 0 FEADMM CCOC(=O)[C@]1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC000601903864 567870829 /nfs/dbraw/zinc/87/08/29/567870829.db2.gz GIXWIAATHBSWII-HNNXBMFYSA-N -1 1 361.316 2.205 20 0 FEADMM CCC(CC)(CO)CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000626253723 568007784 /nfs/dbraw/zinc/00/77/84/568007784.db2.gz WVCXYHFFXPXXDL-UHFFFAOYSA-N -1 1 362.426 2.074 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)C2(c3ccccc3F)CCCC2)n[n-]1 ZINC000603020239 568052360 /nfs/dbraw/zinc/05/23/60/568052360.db2.gz ZFDXBXPMWZRRIJ-UHFFFAOYSA-N -1 1 360.389 2.249 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)C2(c3ccccc3F)CCCC2)n1 ZINC000603020239 568052361 /nfs/dbraw/zinc/05/23/61/568052361.db2.gz ZFDXBXPMWZRRIJ-UHFFFAOYSA-N -1 1 360.389 2.249 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2CC(c3ccc(F)cc3)C2)n[n-]1 ZINC000603153079 568065241 /nfs/dbraw/zinc/06/52/41/568065241.db2.gz GLJINDPYQVCOMQ-QFWMXSHPSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2CC(c3ccc(F)cc3)C2)[n-]1 ZINC000603153079 568065242 /nfs/dbraw/zinc/06/52/42/568065242.db2.gz GLJINDPYQVCOMQ-QFWMXSHPSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2CC(c3ccc(F)cc3)C2)n1 ZINC000603153079 568065243 /nfs/dbraw/zinc/06/52/43/568065243.db2.gz GLJINDPYQVCOMQ-QFWMXSHPSA-N -1 1 360.389 2.492 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)n[n-]1 ZINC000603159427 568069167 /nfs/dbraw/zinc/06/91/67/568069167.db2.gz BRPHLAYBSFVQNG-GUBZILKMSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)[n-]1 ZINC000603159427 568069168 /nfs/dbraw/zinc/06/91/68/568069168.db2.gz BRPHLAYBSFVQNG-GUBZILKMSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000603159427 568069169 /nfs/dbraw/zinc/06/91/69/568069169.db2.gz BRPHLAYBSFVQNG-GUBZILKMSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2)n[n-]1 ZINC000603166770 568070312 /nfs/dbraw/zinc/07/03/12/568070312.db2.gz RTBKEUSMGKUOJN-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(Br)cc2)[n-]1 ZINC000603166770 568070313 /nfs/dbraw/zinc/07/03/13/568070313.db2.gz RTBKEUSMGKUOJN-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(Br)cc2)n1 ZINC000603166770 568070314 /nfs/dbraw/zinc/07/03/14/568070314.db2.gz RTBKEUSMGKUOJN-MRVPVSSYSA-N -1 1 367.203 2.235 20 0 FEADMM CC(C)c1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)on1 ZINC000603847619 568163053 /nfs/dbraw/zinc/16/30/53/568163053.db2.gz LJFHABDNKRVMPF-UHFFFAOYSA-N -1 1 369.443 2.398 20 0 FEADMM COc1cc2[n-]cc(C(=O)NCCc3ccncc3C)c(=O)c2c(OC)c1 ZINC000626264871 568192563 /nfs/dbraw/zinc/19/25/63/568192563.db2.gz VPLSOUPMFJSSFC-UHFFFAOYSA-N -1 1 367.405 2.221 20 0 FEADMM COC(=O)C[C@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000604478235 568299942 /nfs/dbraw/zinc/29/99/42/568299942.db2.gz KKCXWEVJYZOSQE-GFCCVEGCSA-N -1 1 367.471 2.089 20 0 FEADMM CCOC(=O)c1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1Cl ZINC000604570966 568314865 /nfs/dbraw/zinc/31/48/65/568314865.db2.gz ZIXALCCZVQICKZ-UHFFFAOYSA-N -1 1 372.786 2.344 20 0 FEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000604788776 568367067 /nfs/dbraw/zinc/36/70/67/568367067.db2.gz OQDGHWFGEGBOFX-MQIPJXDCSA-N -1 1 355.348 2.487 20 0 FEADMM COC(=O)CCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736912369 598834094 /nfs/dbraw/zinc/83/40/94/598834094.db2.gz QYBCJDQNMLNRGS-UHFFFAOYSA-N -1 1 371.422 2.165 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCCCCC1 ZINC000738356149 598873349 /nfs/dbraw/zinc/87/33/49/598873349.db2.gz ZBEFQCCCRUSPMK-UHFFFAOYSA-N -1 1 355.851 2.475 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCCCCC1 ZINC000738356149 598873351 /nfs/dbraw/zinc/87/33/51/598873351.db2.gz ZBEFQCCCRUSPMK-UHFFFAOYSA-N -1 1 355.851 2.475 20 0 FEADMM CCNC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736576687 598960060 /nfs/dbraw/zinc/96/00/60/598960060.db2.gz ZJHITLKHQPBEFT-UHFFFAOYSA-N -1 1 374.408 2.172 20 0 FEADMM CCNC(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736576687 598960061 /nfs/dbraw/zinc/96/00/61/598960061.db2.gz ZJHITLKHQPBEFT-UHFFFAOYSA-N -1 1 374.408 2.172 20 0 FEADMM c1cn(-c2cc(CNc3c4ccccc4nnc3-c3nnn[n-]3)ccn2)cn1 ZINC000738436411 598964300 /nfs/dbraw/zinc/96/43/00/598964300.db2.gz HRMQIMGQFALYHT-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1cn(-c2cc(CNc3c4ccccc4nnc3-c3nn[n-]n3)ccn2)cn1 ZINC000738436411 598964302 /nfs/dbraw/zinc/96/43/02/598964302.db2.gz HRMQIMGQFALYHT-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1cccc2c1OCCO2 ZINC000738412675 598968391 /nfs/dbraw/zinc/96/83/91/598968391.db2.gz FQFVFVVUZGWBFZ-UHFFFAOYSA-N -1 1 361.365 2.193 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1cccc2c1OCCO2 ZINC000738412675 598968393 /nfs/dbraw/zinc/96/83/93/598968393.db2.gz FQFVFVVUZGWBFZ-UHFFFAOYSA-N -1 1 361.365 2.193 20 0 FEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1cccs1 ZINC000736141095 598970267 /nfs/dbraw/zinc/97/02/67/598970267.db2.gz HMXUBQSTTGDRBV-INIZCTEOSA-N -1 1 353.411 2.191 20 0 FEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1cccs1 ZINC000736141095 598970269 /nfs/dbraw/zinc/97/02/69/598970269.db2.gz HMXUBQSTTGDRBV-INIZCTEOSA-N -1 1 353.411 2.191 20 0 FEADMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000736605255 598980745 /nfs/dbraw/zinc/98/07/45/598980745.db2.gz HZQCBLPWCAJRMW-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000736605255 598980746 /nfs/dbraw/zinc/98/07/46/598980746.db2.gz HZQCBLPWCAJRMW-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738144223 598996650 /nfs/dbraw/zinc/99/66/50/598996650.db2.gz KBKMKWHMAXPPCX-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738144223 598996652 /nfs/dbraw/zinc/99/66/52/598996652.db2.gz KBKMKWHMAXPPCX-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173110 598996889 /nfs/dbraw/zinc/99/68/89/598996889.db2.gz JETRFGRHFQBYNA-UHFFFAOYSA-N -1 1 353.361 2.253 20 0 FEADMM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173110 598996891 /nfs/dbraw/zinc/99/68/91/598996891.db2.gz JETRFGRHFQBYNA-UHFFFAOYSA-N -1 1 353.361 2.253 20 0 FEADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736065956 598998590 /nfs/dbraw/zinc/99/85/90/598998590.db2.gz IBGFKOZMCPVVPG-JTQLQIEISA-N -1 1 365.422 2.232 20 0 FEADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736065956 598998592 /nfs/dbraw/zinc/99/85/92/598998592.db2.gz IBGFKOZMCPVVPG-JTQLQIEISA-N -1 1 365.422 2.232 20 0 FEADMM CCc1cc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)on1 ZINC000736677356 599036478 /nfs/dbraw/zinc/03/64/78/599036478.db2.gz YEGVDTIYTHXZFZ-UHFFFAOYSA-N -1 1 367.369 2.039 20 0 FEADMM CCc1cc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)on1 ZINC000736677356 599036481 /nfs/dbraw/zinc/03/64/81/599036481.db2.gz YEGVDTIYTHXZFZ-UHFFFAOYSA-N -1 1 367.369 2.039 20 0 FEADMM CC(C)CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC000735796925 599084786 /nfs/dbraw/zinc/08/47/86/599084786.db2.gz JYDHMPAXPCPTNC-AWEZNQCLSA-N -1 1 366.491 2.391 20 0 FEADMM CC(C)CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC000735796925 599084789 /nfs/dbraw/zinc/08/47/89/599084789.db2.gz JYDHMPAXPCPTNC-AWEZNQCLSA-N -1 1 366.491 2.391 20 0 FEADMM O=C(OCc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738232052 599143912 /nfs/dbraw/zinc/14/39/12/599143912.db2.gz OFCPQKBHUYZHPY-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM O=C(OCc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738232052 599143914 /nfs/dbraw/zinc/14/39/14/599143914.db2.gz OFCPQKBHUYZHPY-UHFFFAOYSA-N -1 1 366.200 2.443 20 0 FEADMM CC[C@H](C)C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820869604 599159521 /nfs/dbraw/zinc/15/95/21/599159521.db2.gz IIOIMJBMLAASIG-WDEREUQCSA-N -1 1 360.462 2.458 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000737185704 599183846 /nfs/dbraw/zinc/18/38/46/599183846.db2.gz BPQQVKXDPSCGGE-LLVKDONJSA-N -1 1 372.410 2.260 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCSC2)c1-c1nn[n-]n1 ZINC000821987995 599190743 /nfs/dbraw/zinc/19/07/43/599190743.db2.gz BCLYDWDAONWXBJ-VIFPVBQESA-N -1 1 362.484 2.096 20 0 FEADMM CC(C)(NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735677955 599210271 /nfs/dbraw/zinc/21/02/71/599210271.db2.gz MDUBNPWBBZJALS-UHFFFAOYSA-N -1 1 367.431 2.281 20 0 FEADMM O=C(Nc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823337075 599210928 /nfs/dbraw/zinc/21/09/28/599210928.db2.gz GENFPPZVFMJSDS-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C(Nc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823337075 599210931 /nfs/dbraw/zinc/21/09/31/599210931.db2.gz GENFPPZVFMJSDS-UHFFFAOYSA-N -1 1 363.150 2.416 20 0 FEADMM O=C([N-]CC1CCN(C(=O)N[C@@H]2CCCC2(F)F)CC1)C(F)(F)F ZINC000807598088 674421350 /nfs/dbraw/zinc/42/13/50/674421350.db2.gz QOSUXYBQZLHNAL-SNVBAGLBSA-N -1 1 357.323 2.274 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818835381 597049683 /nfs/dbraw/zinc/04/96/83/597049683.db2.gz HPJUHKNOVNFWLB-MRXNPFEDSA-N -1 1 374.485 2.465 20 0 FEADMM CCN(C(=O)CSCC(=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000572481544 597098336 /nfs/dbraw/zinc/09/83/36/597098336.db2.gz MWMBAQNSVAWZDB-GOEBONIOSA-N -1 1 350.484 2.488 20 0 FEADMM O=C([O-])CSCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000579006051 597101148 /nfs/dbraw/zinc/10/11/48/597101148.db2.gz DEHMYOUKRAIDEJ-UHFFFAOYSA-N -1 1 370.902 2.486 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC000818864104 597235281 /nfs/dbraw/zinc/23/52/81/597235281.db2.gz ILUAADKBHHOGBX-ZDUSSCGKSA-N -1 1 362.455 2.488 20 0 FEADMM O=C1CCC(=O)N1Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823525916 607309230 /nfs/dbraw/zinc/30/92/30/607309230.db2.gz VTLVOMGDMKAKKO-UHFFFAOYSA-N -1 1 368.422 2.189 20 0 FEADMM CN1CC[C@H](CNC(=O)NCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000820619986 597492830 /nfs/dbraw/zinc/49/28/30/597492830.db2.gz DCWIROGNICJKSF-IAQYHMDHSA-N -1 1 357.813 2.246 20 0 FEADMM CCCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821138929 607314152 /nfs/dbraw/zinc/31/41/52/607314152.db2.gz LAFNWUQQBLWCRR-UHFFFAOYSA-N -1 1 362.415 2.224 20 0 FEADMM CCCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821138929 607314153 /nfs/dbraw/zinc/31/41/53/607314153.db2.gz LAFNWUQQBLWCRR-UHFFFAOYSA-N -1 1 362.415 2.224 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000666562908 597665598 /nfs/dbraw/zinc/66/55/98/597665598.db2.gz RRVSDMDQSBBXFK-HNNXBMFYSA-N -1 1 369.425 2.470 20 0 FEADMM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC000807706487 674424622 /nfs/dbraw/zinc/42/46/22/674424622.db2.gz WKDLYMJDOTXWDG-DIURFFJMSA-N -1 1 350.381 2.104 20 0 FEADMM CC[C@@H]1C[C@@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCO1 ZINC000807706524 674424923 /nfs/dbraw/zinc/42/49/23/674424923.db2.gz WUIAETYUDPLTFB-YHQUGGNUSA-N -1 1 364.408 2.496 20 0 FEADMM CC(C)CO[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708521 674424959 /nfs/dbraw/zinc/42/49/59/674424959.db2.gz YQHVNRPOVDMJKP-CYDGBPFRSA-N -1 1 352.397 2.352 20 0 FEADMM Cc1ccc(NC(=O)CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000822242752 607327012 /nfs/dbraw/zinc/32/70/12/607327012.db2.gz WUHZJXLDIHVIGE-UHFFFAOYSA-N -1 1 374.408 2.193 20 0 FEADMM Cc1ccc(NC(=O)CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000822242752 607327013 /nfs/dbraw/zinc/32/70/13/607327013.db2.gz WUHZJXLDIHVIGE-UHFFFAOYSA-N -1 1 374.408 2.193 20 0 FEADMM O=C([O-])C1CCC(Nc2ccc3[nH]c(CCN4CCOCC4)nc3c2)CC1 ZINC000821509185 598111641 /nfs/dbraw/zinc/11/16/41/598111641.db2.gz XRXNWOKMEWNCOC-UHFFFAOYSA-N -1 1 372.469 2.493 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)NCCCCC(=O)[O-])CC2)cc1 ZINC000635530218 598167801 /nfs/dbraw/zinc/16/78/01/598167801.db2.gz TWAFGTUZHWOXCG-UHFFFAOYSA-N -1 1 363.458 2.167 20 0 FEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)n[nH]1 ZINC000820330285 598177736 /nfs/dbraw/zinc/17/77/36/598177736.db2.gz QBPACIYSXLFMFQ-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)n1 ZINC000820330285 598177737 /nfs/dbraw/zinc/17/77/37/598177737.db2.gz QBPACIYSXLFMFQ-ZDUSSCGKSA-N -1 1 359.386 2.061 20 0 FEADMM COc1cccc([C@H]2[C@H](NC(=O)NCCCC(=O)[O-])CCN2C2CC2)c1 ZINC000571997863 598209085 /nfs/dbraw/zinc/20/90/85/598209085.db2.gz IMGFZAXZHZJAOW-AEFFLSMTSA-N -1 1 361.442 2.137 20 0 FEADMM C/C=C/c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000736301778 598259342 /nfs/dbraw/zinc/25/93/42/598259342.db2.gz AXXDPURERXMLOP-ONEGZZNKSA-N -1 1 373.394 2.071 20 0 FEADMM C/C=C/c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000736301778 598259343 /nfs/dbraw/zinc/25/93/43/598259343.db2.gz AXXDPURERXMLOP-ONEGZZNKSA-N -1 1 373.394 2.071 20 0 FEADMM Clc1ccc(N2CCCN(c3nccs3)CC2)nc1-c1nnn[n-]1 ZINC000737574461 598277190 /nfs/dbraw/zinc/27/71/90/598277190.db2.gz FTIMXNIZNIMXRJ-UHFFFAOYSA-N -1 1 362.850 2.088 20 0 FEADMM Clc1ccc(N2CCCN(c3nccs3)CC2)nc1-c1nn[n-]n1 ZINC000737574461 598277192 /nfs/dbraw/zinc/27/71/92/598277192.db2.gz FTIMXNIZNIMXRJ-UHFFFAOYSA-N -1 1 362.850 2.088 20 0 FEADMM Cc1cc2nnc(Sc3nccnc3-c3nn[n-]n3)n2c2ccccc12 ZINC000737285484 598336638 /nfs/dbraw/zinc/33/66/38/598336638.db2.gz SSMPFMDPFLDZIV-UHFFFAOYSA-N -1 1 361.394 2.312 20 0 FEADMM Clc1ccc(OC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)cc1 ZINC000737574118 598342878 /nfs/dbraw/zinc/34/28/78/598342878.db2.gz LEMLDQAEWOLUST-GFCCVEGCSA-N -1 1 357.805 2.358 20 0 FEADMM Clc1ccc(OC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)cc1 ZINC000737574118 598342880 /nfs/dbraw/zinc/34/28/80/598342880.db2.gz LEMLDQAEWOLUST-GFCCVEGCSA-N -1 1 357.805 2.358 20 0 FEADMM Brc1cccc([C@H]2C[C@@H]2Nc2nccnc2-c2nnn[n-]2)c1 ZINC000735368491 598353843 /nfs/dbraw/zinc/35/38/43/598353843.db2.gz MQXSNPRFMAWZEN-MNOVXSKESA-N -1 1 358.203 2.387 20 0 FEADMM Brc1cccc([C@H]2C[C@@H]2Nc2nccnc2-c2nn[n-]n2)c1 ZINC000735368491 598353845 /nfs/dbraw/zinc/35/38/45/598353845.db2.gz MQXSNPRFMAWZEN-MNOVXSKESA-N -1 1 358.203 2.387 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@@H]2CCCCN12 ZINC000557088948 674435987 /nfs/dbraw/zinc/43/59/87/674435987.db2.gz FFGTWIMNRAZRCK-QWHCGFSZSA-N -1 1 352.387 2.004 20 0 FEADMM Cc1ncsc1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737502689 598510896 /nfs/dbraw/zinc/51/08/96/598510896.db2.gz IBNQYWVSIINYKB-UHFFFAOYSA-N -1 1 374.426 2.025 20 0 FEADMM Cc1cccc(C(=O)NCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737384213 598576256 /nfs/dbraw/zinc/57/62/56/598576256.db2.gz IYKRKSJSRPCSPP-UHFFFAOYSA-N -1 1 357.805 2.065 20 0 FEADMM Cc1cccc(C(=O)NCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737384213 598576258 /nfs/dbraw/zinc/57/62/58/598576258.db2.gz IYKRKSJSRPCSPP-UHFFFAOYSA-N -1 1 357.805 2.065 20 0 FEADMM CC(C)c1nnc2n1C[C@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000735952638 598578498 /nfs/dbraw/zinc/57/84/98/598578498.db2.gz JIVMUESXHDOZMA-SECBINFHSA-N -1 1 359.825 2.057 20 0 FEADMM CC(C)c1nnc2n1C[C@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000735952638 598578499 /nfs/dbraw/zinc/57/84/99/598578499.db2.gz JIVMUESXHDOZMA-SECBINFHSA-N -1 1 359.825 2.057 20 0 FEADMM O=C(NCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000738066639 598579799 /nfs/dbraw/zinc/57/97/99/598579799.db2.gz SKHCYWLYPAOQEB-UHFFFAOYSA-N -1 1 357.805 2.147 20 0 FEADMM O=C(NCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000738066639 598579800 /nfs/dbraw/zinc/57/98/00/598579800.db2.gz SKHCYWLYPAOQEB-UHFFFAOYSA-N -1 1 357.805 2.147 20 0 FEADMM O[C@H](c1ccc(Cl)cc1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738383361 598580892 /nfs/dbraw/zinc/58/08/92/598580892.db2.gz BDBJTEWEKHJLDY-OAHLLOKOSA-N -1 1 371.832 2.260 20 0 FEADMM O[C@H](c1ccc(Cl)cc1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738383361 598580894 /nfs/dbraw/zinc/58/08/94/598580894.db2.gz BDBJTEWEKHJLDY-OAHLLOKOSA-N -1 1 371.832 2.260 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1ccccc1 ZINC000738295490 598594319 /nfs/dbraw/zinc/59/43/19/598594319.db2.gz HNWQRGOXOSVRPN-GFCCVEGCSA-N -1 1 355.789 2.133 20 0 FEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1ccccc1 ZINC000738295490 598594321 /nfs/dbraw/zinc/59/43/21/598594321.db2.gz HNWQRGOXOSVRPN-GFCCVEGCSA-N -1 1 355.789 2.133 20 0 FEADMM Fc1cc(Br)ccc1CNc1nccnc1-c1nnn[n-]1 ZINC000737645102 598680272 /nfs/dbraw/zinc/68/02/72/598680272.db2.gz RJZHFUYRUPICPB-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1cc(Br)ccc1CNc1nccnc1-c1nn[n-]n1 ZINC000737645102 598680273 /nfs/dbraw/zinc/68/02/73/598680273.db2.gz RJZHFUYRUPICPB-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Cc1occc1CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000822552944 607364930 /nfs/dbraw/zinc/36/49/30/607364930.db2.gz GFGPOXVPRWRACP-SNVBAGLBSA-N -1 1 358.402 2.437 20 0 FEADMM CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735703134 598689756 /nfs/dbraw/zinc/68/97/56/598689756.db2.gz RRWJXEUNEQXDLV-JTQLQIEISA-N -1 1 353.423 2.203 20 0 FEADMM CC(C)C[C@@H](C)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735761374 598719062 /nfs/dbraw/zinc/71/90/62/598719062.db2.gz NFTHMFFIEKDLDG-CYBMUJFWSA-N -1 1 368.441 2.075 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1nncn1C ZINC000557428863 674448780 /nfs/dbraw/zinc/44/87/80/674448780.db2.gz QPDWNHZCWVSHDQ-LBPRGKRZSA-N -1 1 353.220 2.410 20 0 FEADMM Clc1ccc(NCc2ccc(-n3cncn3)cc2)nc1-c1nnn[n-]1 ZINC000737573394 598745009 /nfs/dbraw/zinc/74/50/09/598745009.db2.gz GVOJMTZEFJPSCU-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM Clc1ccc(NCc2ccc(-n3cncn3)cc2)nc1-c1nn[n-]n1 ZINC000737573394 598745011 /nfs/dbraw/zinc/74/50/11/598745011.db2.gz GVOJMTZEFJPSCU-UHFFFAOYSA-N -1 1 353.777 2.108 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@@H](O)c1ccccc1 ZINC000808340667 674454249 /nfs/dbraw/zinc/45/42/49/674454249.db2.gz QJXPXRKTRRNPHC-NOZJJQNGSA-N -1 1 360.229 2.443 20 0 FEADMM C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820686063 599327307 /nfs/dbraw/zinc/32/73/07/599327307.db2.gz WRYONQHNFXUEMD-ZJUUUORDSA-N -1 1 355.851 2.329 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000738355742 599334331 /nfs/dbraw/zinc/33/43/31/599334331.db2.gz RCXLIGRDJVKNHH-UHFFFAOYSA-N -1 1 361.814 2.272 20 0 FEADMM C[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820813345 599351084 /nfs/dbraw/zinc/35/10/84/599351084.db2.gz DYICXCKSWYSBFV-LLVKDONJSA-N -1 1 373.413 2.141 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823607392 599359624 /nfs/dbraw/zinc/35/96/24/599359624.db2.gz TVYAQBLWPVGHKL-JQWIXIFHSA-N -1 1 367.862 2.473 20 0 FEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823607392 599359627 /nfs/dbraw/zinc/35/96/27/599359627.db2.gz TVYAQBLWPVGHKL-JQWIXIFHSA-N -1 1 367.862 2.473 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627681 599423892 /nfs/dbraw/zinc/42/38/92/599423892.db2.gz OIFXZBXHNBGEOW-GFCCVEGCSA-N -1 1 359.434 2.321 20 0 FEADMM CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627681 599423893 /nfs/dbraw/zinc/42/38/93/599423893.db2.gz OIFXZBXHNBGEOW-GFCCVEGCSA-N -1 1 359.434 2.321 20 0 FEADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820870578 599489080 /nfs/dbraw/zinc/48/90/80/599489080.db2.gz VKYQKVQQZWREKT-RKDXNWHRSA-N -1 1 350.448 2.244 20 0 FEADMM CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321162 599492980 /nfs/dbraw/zinc/49/29/80/599492980.db2.gz UZTDJNRTBVXIOD-XPTSAGLGSA-N -1 1 374.401 2.162 20 0 FEADMM CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321162 599492981 /nfs/dbraw/zinc/49/29/81/599492981.db2.gz UZTDJNRTBVXIOD-XPTSAGLGSA-N -1 1 374.401 2.162 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000822004321 599548641 /nfs/dbraw/zinc/54/86/41/599548641.db2.gz FMYFTZYKZVEXSH-WDEREUQCSA-N -1 1 358.446 2.164 20 0 FEADMM CC[C@@H](COC)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736350403 599575915 /nfs/dbraw/zinc/57/59/15/599575915.db2.gz AFOBYXGQYFIDFA-JTQLQIEISA-N -1 1 362.459 2.016 20 0 FEADMM COC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)CC(C)C ZINC000821640998 599588154 /nfs/dbraw/zinc/58/81/54/599588154.db2.gz TYWZARCKOINGGO-LLVKDONJSA-N -1 1 355.402 2.057 20 0 FEADMM COC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)CC(C)C ZINC000821640998 599588156 /nfs/dbraw/zinc/58/81/56/599588156.db2.gz TYWZARCKOINGGO-LLVKDONJSA-N -1 1 355.402 2.057 20 0 FEADMM CCC(C)(C)COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820847394 599627831 /nfs/dbraw/zinc/62/78/31/599627831.db2.gz DBRHGEYPLZFWRJ-UHFFFAOYSA-N -1 1 371.445 2.438 20 0 FEADMM CCC(C)(C)COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820847394 599627832 /nfs/dbraw/zinc/62/78/32/599627832.db2.gz DBRHGEYPLZFWRJ-UHFFFAOYSA-N -1 1 371.445 2.438 20 0 FEADMM Cc1ccc(N2CC[C@H](OC(=O)c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241469 599658983 /nfs/dbraw/zinc/65/89/83/599658983.db2.gz XNTVEZNNXRGBCC-ZDUSSCGKSA-N -1 1 369.406 2.199 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1COc1ccccc1 ZINC000739452073 599779198 /nfs/dbraw/zinc/77/91/98/599779198.db2.gz TVDYZONSAIGMAZ-SFHVURJKSA-N -1 1 365.389 2.414 20 0 FEADMM CC1(C)CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC000736735466 599832017 /nfs/dbraw/zinc/83/20/17/599832017.db2.gz MCHSVOKTMFESIZ-KRWDZBQOSA-N -1 1 374.485 2.435 20 0 FEADMM O=C([O-])c1ccccc1NC(=O)CSc1nc(-c2cccnc2)n[nH]1 ZINC000738476661 599832920 /nfs/dbraw/zinc/83/29/20/599832920.db2.gz UAHCRRXNHLCQMX-UHFFFAOYSA-N -1 1 355.379 2.296 20 0 FEADMM CCC1CCC2(CC1)NC(=O)N(CN1CCCC[C@@H]1CC(=O)[O-])C2=O ZINC000736939819 599841310 /nfs/dbraw/zinc/84/13/10/599841310.db2.gz HWKXGOCLOSFGAE-TXKKKEFDSA-N -1 1 351.447 2.164 20 0 FEADMM C[C@@H](CN(Cn1c(=O)oc2cc(Br)ccc21)C1CC1)C(=O)[O-] ZINC000736585021 599933762 /nfs/dbraw/zinc/93/37/62/599933762.db2.gz ZTLKUFWIEHJNQH-VIFPVBQESA-N -1 1 369.215 2.500 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000738276511 599935533 /nfs/dbraw/zinc/93/55/33/599935533.db2.gz XOCHNZUREXUNJY-UHFFFAOYSA-N -1 1 368.499 2.434 20 0 FEADMM O=C([O-])c1ccc(OCCN[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000740164584 599941662 /nfs/dbraw/zinc/94/16/62/599941662.db2.gz ZSIQSQWWMUGAQI-GOSISDBHSA-N -1 1 354.406 2.373 20 0 FEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000738227972 600029895 /nfs/dbraw/zinc/02/98/95/600029895.db2.gz KYMCULSQTUTDRI-AWEZNQCLSA-N -1 1 373.409 2.157 20 0 FEADMM Cc1cc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1C(=O)[O-] ZINC000738407842 600042518 /nfs/dbraw/zinc/04/25/18/600042518.db2.gz QBHQYNOHDUZLLW-QGZVFWFLSA-N -1 1 369.421 2.051 20 0 FEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000739285732 600073317 /nfs/dbraw/zinc/07/33/17/600073317.db2.gz MWQNGWMGPPLLEU-HOTGVXAUSA-N -1 1 359.426 2.160 20 0 FEADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000739285728 600073576 /nfs/dbraw/zinc/07/35/76/600073576.db2.gz MWQNGWMGPPLLEU-CVEARBPZSA-N -1 1 359.426 2.160 20 0 FEADMM C[C@H]1CN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CCS1 ZINC000736812265 600103153 /nfs/dbraw/zinc/10/31/53/600103153.db2.gz VFVVYIOAUYQCQH-LRDDRELGSA-N -1 1 361.467 2.159 20 0 FEADMM CCC[C@@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2)C(=O)[O-] ZINC000736962928 600151245 /nfs/dbraw/zinc/15/12/45/600151245.db2.gz GZFVANONWLPTAF-QGZVFWFLSA-N -1 1 368.455 2.195 20 0 FEADMM O=C([O-])c1cccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000740227318 600156446 /nfs/dbraw/zinc/15/64/46/600156446.db2.gz DBPZQHNIFAPYFX-UHFFFAOYSA-N -1 1 361.442 2.351 20 0 FEADMM CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000554279257 600231621 /nfs/dbraw/zinc/23/16/21/600231621.db2.gz HJOADCCVLCWFMF-UHFFFAOYSA-N -1 1 372.406 2.464 20 0 FEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccnc2N2CCCC2)cc1 ZINC000326893571 600243814 /nfs/dbraw/zinc/24/38/14/600243814.db2.gz IWQQUQMCMPPYBO-UHFFFAOYSA-N -1 1 361.423 2.110 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1F ZINC000736160400 600253756 /nfs/dbraw/zinc/25/37/56/600253756.db2.gz DDYSESHZUJVGAX-UHFFFAOYSA-N -1 1 358.372 2.345 20 0 FEADMM CCN(CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1Br ZINC000737094117 600294495 /nfs/dbraw/zinc/29/44/95/600294495.db2.gz NJUDQCYGBAMYMH-UHFFFAOYSA-N -1 1 357.248 2.204 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cnc1Cl ZINC000738477076 600299411 /nfs/dbraw/zinc/29/94/11/600299411.db2.gz IILQQLKOWRQEDY-UHFFFAOYSA-N -1 1 366.786 2.419 20 0 FEADMM CCCOc1ccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737032305 600307731 /nfs/dbraw/zinc/30/77/31/600307731.db2.gz ZWBDUAIQMMBNNO-KRWDZBQOSA-N -1 1 360.454 2.278 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccsc1 ZINC000737359141 600344700 /nfs/dbraw/zinc/34/47/00/600344700.db2.gz SQUPYVNYSCLYHH-KBPBESRZSA-N -1 1 351.472 2.247 20 0 FEADMM CCC[C@H](NC(=O)c1cnn(C(C)(C)C)c1Br)c1nn[n-]n1 ZINC000829801412 677013394 /nfs/dbraw/zinc/01/33/94/677013394.db2.gz PZCCIYZWRWUHSY-VIFPVBQESA-N -1 1 370.255 2.185 20 0 FEADMM CN1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000737521622 600377054 /nfs/dbraw/zinc/37/70/54/600377054.db2.gz PASUNALREFNCBS-CHWSQXEVSA-N -1 1 355.232 2.175 20 0 FEADMM CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736443089 600394741 /nfs/dbraw/zinc/39/47/41/600394741.db2.gz NQNIKVTUVPGCBP-CYBMUJFWSA-N -1 1 353.394 2.002 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736443089 600394744 /nfs/dbraw/zinc/39/47/44/600394744.db2.gz NQNIKVTUVPGCBP-CYBMUJFWSA-N -1 1 353.394 2.002 20 0 FEADMM CC1CCN([C@H](CNS(=O)(=O)CCCC(=O)[O-])c2ccccc2)CC1 ZINC000736798231 600402491 /nfs/dbraw/zinc/40/24/91/600402491.db2.gz SYKRTANZQZDUDE-QGZVFWFLSA-N -1 1 368.499 2.244 20 0 FEADMM CN(C(=O)CN1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1)C1CCCCC1 ZINC000737322545 600405711 /nfs/dbraw/zinc/40/57/11/600405711.db2.gz OJOARCXHGXPATQ-HXUWFJFHSA-N -1 1 373.497 2.221 20 0 FEADMM CCC[C@](C)(NCC(=O)Nc1ccnn1Cc1cccs1)C(=O)[O-] ZINC000736965156 600461976 /nfs/dbraw/zinc/46/19/76/600461976.db2.gz TUZRETCNSVQQQQ-INIZCTEOSA-N -1 1 350.444 2.164 20 0 FEADMM CC1(C)CCCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000736732822 600541518 /nfs/dbraw/zinc/54/15/18/600541518.db2.gz QSAVIGGBBOGEHD-QGZVFWFLSA-N -1 1 357.454 2.402 20 0 FEADMM CC[C@@H]1c2ccsc2CCN1C(=O)CN(CCOC)CCC(=O)[O-] ZINC000736951511 600640056 /nfs/dbraw/zinc/64/00/56/600640056.db2.gz VORNYYFCBFBNTA-CQSZACIVSA-N -1 1 354.472 2.007 20 0 FEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000736942533 600651738 /nfs/dbraw/zinc/65/17/38/600651738.db2.gz VOZAOXZCYXLJJR-HNNXBMFYSA-N -1 1 354.472 2.236 20 0 FEADMM C[S@@](=O)Cc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000609658415 600681887 /nfs/dbraw/zinc/68/18/87/600681887.db2.gz RJGCUSQMODZNCB-OAQYLSRUSA-N -1 1 359.450 2.126 20 0 FEADMM CN1CC[NH+](Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3cccs3)cc2)CC1 ZINC000830954994 600915985 /nfs/dbraw/zinc/91/59/85/600915985.db2.gz VXPBKJUOVAIMEI-KRWDZBQOSA-N -1 1 373.478 2.051 20 0 FEADMM CN1CCN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3cccs3)cc2)CC1 ZINC000830954994 600915987 /nfs/dbraw/zinc/91/59/87/600915987.db2.gz VXPBKJUOVAIMEI-KRWDZBQOSA-N -1 1 373.478 2.051 20 0 FEADMM CCc1cc2c(CN3CCSC[C@@H]3CC(=O)[O-])cc(=O)oc2cc1O ZINC000830224425 601019959 /nfs/dbraw/zinc/01/99/59/601019959.db2.gz NXVVQMKYHFXBSG-ZDUSSCGKSA-N -1 1 363.435 2.453 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](C(=O)[O-])C1 ZINC000736218300 601032248 /nfs/dbraw/zinc/03/22/48/601032248.db2.gz MPWCLKFLYZZMSZ-ZJUUUORDSA-N -1 1 356.325 2.132 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000832849371 601084153 /nfs/dbraw/zinc/08/41/53/601084153.db2.gz XYESZNZCGBNYBA-UHFFFAOYSA-N -1 1 357.288 2.130 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000630222266 601092911 /nfs/dbraw/zinc/09/29/11/601092911.db2.gz FUDPRQFHNAAATM-FRRDWIJNSA-N -1 1 350.381 2.363 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000630224502 601104073 /nfs/dbraw/zinc/10/40/73/601104073.db2.gz PRCPKZCJRFEPPD-GFCCVEGCSA-N -1 1 374.359 2.092 20 0 FEADMM Cc1cc(C)c(NC(=O)CN(C)Cc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263017 607489575 /nfs/dbraw/zinc/48/95/75/607489575.db2.gz IAOVPXDIRKWYAY-UHFFFAOYSA-N -1 1 365.441 2.257 20 0 FEADMM Cc1cn(-c2ccccc2)nc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832985181 601133101 /nfs/dbraw/zinc/13/31/01/601133101.db2.gz FSKBFQDQLDJQOE-HNNXBMFYSA-N -1 1 371.441 2.193 20 0 FEADMM O=C([O-])CN(Cc1ccccc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000833249439 601197637 /nfs/dbraw/zinc/19/76/37/601197637.db2.gz LHAOOYCGQHOHED-UHFFFAOYSA-N -1 1 355.466 2.032 20 0 FEADMM CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000831011357 601232029 /nfs/dbraw/zinc/23/20/29/601232029.db2.gz NIQSYSGIZVGTOX-UHFFFAOYSA-N -1 1 372.786 2.100 20 0 FEADMM Cc1oc(S(=O)(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1C(=O)[O-] ZINC000833029932 601232176 /nfs/dbraw/zinc/23/21/76/601232176.db2.gz ODEUNNUJIBQTBF-UHFFFAOYSA-N -1 1 368.342 2.111 20 0 FEADMM O=C([O-])c1cc(NC(=O)N2CCN(C3CCOCC3)CC2)ccc1Cl ZINC000833301228 601309927 /nfs/dbraw/zinc/30/99/27/601309927.db2.gz RQZHEUSGXJYCRS-UHFFFAOYSA-N -1 1 367.833 2.367 20 0 FEADMM CCS(=O)(=O)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000830371524 677036197 /nfs/dbraw/zinc/03/61/97/677036197.db2.gz FPNUHLVSPHNOHZ-UHFFFAOYSA-N -1 1 367.901 2.268 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2N2CCCC2)ccc1F ZINC000392692826 601359861 /nfs/dbraw/zinc/35/98/61/601359861.db2.gz QSNANPPSDYWVKN-UHFFFAOYSA-N -1 1 365.386 2.320 20 0 FEADMM C[C@@H]1CCc2c(sc(NC(=O)CN(C)C[C@H]3CCOC3)c2C(=O)[O-])C1 ZINC000828311184 601383759 /nfs/dbraw/zinc/38/37/59/601383759.db2.gz UVDANRLVXWRIEC-VXGBXAGGSA-N -1 1 366.483 2.478 20 0 FEADMM O=C([O-])[C@@]1(F)CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000833175713 601439564 /nfs/dbraw/zinc/43/95/64/601439564.db2.gz SQUZSBPWGVXWDJ-YMTOWFKASA-N -1 1 352.189 2.232 20 0 FEADMM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825985908 607508028 /nfs/dbraw/zinc/50/80/28/607508028.db2.gz FOEWOZUORAUONG-UHFFFAOYSA-N -1 1 355.349 2.369 20 0 FEADMM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825985908 607508029 /nfs/dbraw/zinc/50/80/29/607508029.db2.gz FOEWOZUORAUONG-UHFFFAOYSA-N -1 1 355.349 2.369 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@](F)(C(=O)[O-])C1 ZINC000833012045 601551020 /nfs/dbraw/zinc/55/10/20/601551020.db2.gz XKTHNMUSOFGELU-LJQANCHMSA-N -1 1 374.416 2.316 20 0 FEADMM COc1cc(NC(=O)CCN2CC[C@](F)(C(=O)[O-])C2)c(OC)cc1Cl ZINC000832016610 601554966 /nfs/dbraw/zinc/55/49/66/601554966.db2.gz FTFRBPLOWRFIQX-MRXNPFEDSA-N -1 1 374.796 2.184 20 0 FEADMM CCO[C@H]1C[C@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1(CC)CC ZINC000570689481 601597739 /nfs/dbraw/zinc/59/77/39/601597739.db2.gz NSKJZXQCTXWCHR-HOTGVXAUSA-N -1 1 354.491 2.225 20 0 FEADMM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccccc1NS(C)(=O)=O ZINC000833033591 601715021 /nfs/dbraw/zinc/71/50/21/601715021.db2.gz XRJUGUNBQQZBCC-UHFFFAOYSA-N -1 1 369.420 2.483 20 0 FEADMM Cc1nc(C)c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000832994442 601740901 /nfs/dbraw/zinc/74/09/01/601740901.db2.gz JEUYAOPRJIUTIF-IBGZPJMESA-N -1 1 357.410 2.141 20 0 FEADMM Cc1noc(C)c1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833019243 601741069 /nfs/dbraw/zinc/74/10/69/601741069.db2.gz HWMOAJZZIJCTOI-LJQANCHMSA-N -1 1 357.410 2.141 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)C[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000832959623 601784082 /nfs/dbraw/zinc/78/40/82/601784082.db2.gz XKIYBJYBDFKBHT-FZMZJTMJSA-N -1 1 351.428 2.059 20 0 FEADMM C[C@H]1CN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451641 601816321 /nfs/dbraw/zinc/81/63/21/601816321.db2.gz VLXBKOOMFMEYTQ-PNBPBRNGSA-N -1 1 365.474 2.123 20 0 FEADMM O=C([O-])CCC1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000659393991 601824548 /nfs/dbraw/zinc/82/45/48/601824548.db2.gz IBHBJGSJEPKRSH-UHFFFAOYSA-N -1 1 359.470 2.331 20 0 FEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(CCC(=O)[O-])CC1 ZINC000662219199 601840318 /nfs/dbraw/zinc/84/03/18/601840318.db2.gz NXOJXDHQFFOKOR-ZDUSSCGKSA-N -1 1 362.426 2.362 20 0 FEADMM CC(C)CNC(=O)c1cccc(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000826890885 601885688 /nfs/dbraw/zinc/88/56/88/601885688.db2.gz DEMVEIJDBFGQSJ-INIZCTEOSA-N -1 1 350.484 2.465 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccnc2Cl)c1-c1nn[nH]n1 ZINC000826304039 607532925 /nfs/dbraw/zinc/53/29/25/607532925.db2.gz SNSABPJRZQHSNM-UHFFFAOYSA-N -1 1 350.791 2.024 20 0 FEADMM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CCC(=O)NCC(=O)[O-] ZINC000833016646 601908247 /nfs/dbraw/zinc/90/82/47/601908247.db2.gz ZLZPTRPPMCUIKI-CYBMUJFWSA-N -1 1 370.881 2.229 20 0 FEADMM O=C([O-])N1CCC(N(CC(=O)N2CCC(c3ccccc3)=N2)C2CC2)CC1 ZINC000740501151 601933304 /nfs/dbraw/zinc/93/33/04/601933304.db2.gz VVDYIULTEWGZPA-UHFFFAOYSA-N -1 1 370.453 2.230 20 0 FEADMM CC[C@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739277712 601947496 /nfs/dbraw/zinc/94/74/96/601947496.db2.gz FURLEMXEHROVKR-JSGCOSHPSA-N -1 1 351.472 2.173 20 0 FEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000567396959 601949044 /nfs/dbraw/zinc/94/90/44/601949044.db2.gz FEJXFUYVQIRQQN-SNVBAGLBSA-N -1 1 354.453 2.287 20 0 FEADMM O=C([O-])N[C@@H](C(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000740687832 601953342 /nfs/dbraw/zinc/95/33/42/601953342.db2.gz VHVVUTQJTGGVED-OAHLLOKOSA-N -1 1 351.366 2.097 20 0 FEADMM O=C([O-])N[C@@H](C(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000740687832 601953346 /nfs/dbraw/zinc/95/33/46/601953346.db2.gz VHVVUTQJTGGVED-OAHLLOKOSA-N -1 1 351.366 2.097 20 0 FEADMM COc1ccccc1-n1cnnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826218302 607537515 /nfs/dbraw/zinc/53/75/15/607537515.db2.gz YCSIBHWGHKVHMJ-UHFFFAOYSA-N -1 1 366.410 2.143 20 0 FEADMM COc1ccccc1-n1cnnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826218302 607537517 /nfs/dbraw/zinc/53/75/17/607537517.db2.gz YCSIBHWGHKVHMJ-UHFFFAOYSA-N -1 1 366.410 2.143 20 0 FEADMM O=S(=O)(Cc1cc2ccccc2o1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486613 607537981 /nfs/dbraw/zinc/53/79/81/607537981.db2.gz JIBPHYOCEZTTJB-UHFFFAOYSA-N -1 1 355.379 2.123 20 0 FEADMM O=S(=O)(Cc1cc2ccccc2o1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486613 607537983 /nfs/dbraw/zinc/53/79/83/607537983.db2.gz JIBPHYOCEZTTJB-UHFFFAOYSA-N -1 1 355.379 2.123 20 0 FEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3[nH]ncc32)cc1OC ZINC000832226579 602018594 /nfs/dbraw/zinc/01/85/94/602018594.db2.gz POGPVDXDSREBDA-SWLSCSKDSA-N -1 1 373.409 2.179 20 0 FEADMM C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738983671 602053161 /nfs/dbraw/zinc/05/31/61/602053161.db2.gz WDMHUDWCZUWWEX-BFHYXJOUSA-N -1 1 368.503 2.429 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC(C)(C)c1cccc(Cl)c1F ZINC000558439859 674495929 /nfs/dbraw/zinc/49/59/29/674495929.db2.gz RCXXRRLQCNFZNA-UHFFFAOYSA-N -1 1 361.826 2.614 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)nc2)ccc1O ZINC000236459130 602157320 /nfs/dbraw/zinc/15/73/20/602157320.db2.gz NQDBYQMMDCAUJC-UHFFFAOYSA-N -1 1 373.184 2.049 20 0 FEADMM CC[C@]1(C)CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000829050188 602241320 /nfs/dbraw/zinc/24/13/20/602241320.db2.gz NEJUFZZZIBMAIT-YLJYHZDGSA-N -1 1 357.454 2.402 20 0 FEADMM CCCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)CC(C)(C)O ZINC000829464891 602329281 /nfs/dbraw/zinc/32/92/81/602329281.db2.gz STLJTEZRLWOEOF-UHFFFAOYSA-N -1 1 354.472 2.356 20 0 FEADMM Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833015212 602344799 /nfs/dbraw/zinc/34/47/99/602344799.db2.gz HNPBENCARIQWIE-MAUKXSAKSA-N -1 1 359.426 2.004 20 0 FEADMM O=C([O-])NCCCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000740651163 602404853 /nfs/dbraw/zinc/40/48/53/602404853.db2.gz GAHXDNWSHXRNIU-UHFFFAOYSA-N -1 1 368.865 2.261 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000739014575 602445985 /nfs/dbraw/zinc/44/59/85/602445985.db2.gz HCPJKWMPEKNZSC-KGLIPLIRSA-N -1 1 365.449 2.241 20 0 FEADMM O=C([O-])N1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000740414295 602501024 /nfs/dbraw/zinc/50/10/24/602501024.db2.gz AIGQBEKRXFUHJC-SECBINFHSA-N -1 1 367.203 2.198 20 0 FEADMM CCCN(CC(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352153 602544203 /nfs/dbraw/zinc/54/42/03/602544203.db2.gz CMWRKPDLWDIQMD-QGZVFWFLSA-N -1 1 359.470 2.299 20 0 FEADMM O=S(=O)(NCCC1=CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490802 607574286 /nfs/dbraw/zinc/57/42/86/607574286.db2.gz HZTZMKQLKFWCPS-UHFFFAOYSA-N -1 1 351.407 2.175 20 0 FEADMM O=S(=O)(NCCC1=CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490802 607574288 /nfs/dbraw/zinc/57/42/88/607574288.db2.gz HZTZMKQLKFWCPS-UHFFFAOYSA-N -1 1 351.407 2.175 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000740670031 602597181 /nfs/dbraw/zinc/59/71/81/602597181.db2.gz HSMYBAGTJMVASR-HNNXBMFYSA-N -1 1 362.430 2.035 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000739009029 602697675 /nfs/dbraw/zinc/69/76/75/602697675.db2.gz JDWPFVKOOATUJR-HNNXBMFYSA-N -1 1 374.485 2.122 20 0 FEADMM CCN(CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739392896 602758893 /nfs/dbraw/zinc/75/88/93/602758893.db2.gz MHAIMBDYDZYXPF-AWEZNQCLSA-N -1 1 373.375 2.396 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739176566 602762309 /nfs/dbraw/zinc/76/23/09/602762309.db2.gz NATSBVAXYVHCGN-WQGACYEGSA-N -1 1 369.412 2.462 20 0 FEADMM C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000738956792 602791694 /nfs/dbraw/zinc/79/16/94/602791694.db2.gz GBPCQEKQBUXZPL-RDDDGLTNSA-N -1 1 354.819 2.446 20 0 FEADMM C[C@@H]1CN(C(=O)c2cccc(Br)c2O)CC[C@H]1NC(=O)[O-] ZINC000739166566 602869454 /nfs/dbraw/zinc/86/94/54/602869454.db2.gz KEZPACIIIVHUFA-LDYMZIIASA-N -1 1 357.204 2.273 20 0 FEADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000558735962 674513616 /nfs/dbraw/zinc/51/36/16/674513616.db2.gz JKTAXNOXQXPODH-UHFFFAOYSA-N -1 1 358.379 2.003 20 0 FEADMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824936344 607596989 /nfs/dbraw/zinc/59/69/89/607596989.db2.gz GOMMJGUBIJOGRG-GHMZBOCLSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824936344 607596990 /nfs/dbraw/zinc/59/69/90/607596990.db2.gz GOMMJGUBIJOGRG-GHMZBOCLSA-N -1 1 353.423 2.110 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccs1 ZINC000827995435 603005911 /nfs/dbraw/zinc/00/59/11/603005911.db2.gz TUXRSHTYPVYHTH-WTUNAVPPSA-N -1 1 366.487 2.323 20 0 FEADMM CC(C)N(C1CCCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824288325 607604278 /nfs/dbraw/zinc/60/42/78/607604278.db2.gz CWXGMDAEWUUTAS-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM CC(C)N(C1CCCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824288325 607604279 /nfs/dbraw/zinc/60/42/79/607604279.db2.gz CWXGMDAEWUUTAS-UHFFFAOYSA-N -1 1 353.423 2.348 20 0 FEADMM CCCc1nnc([C@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000737049712 603077415 /nfs/dbraw/zinc/07/74/15/603077415.db2.gz BQRKRIDOTAOBIQ-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM CCCc1n[nH]c([C@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)CCO2)n1 ZINC000737049712 603077422 /nfs/dbraw/zinc/07/74/22/603077422.db2.gz BQRKRIDOTAOBIQ-CYBMUJFWSA-N -1 1 359.386 2.061 20 0 FEADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000826294018 607610651 /nfs/dbraw/zinc/61/06/51/607610651.db2.gz GXVYLEYVDMGYIH-OAHLLOKOSA-N -1 1 373.413 2.280 20 0 FEADMM C[C@H](CNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738916431 603166700 /nfs/dbraw/zinc/16/67/00/603166700.db2.gz QQYNXPCXPSZBQS-QGPMSJSTSA-N -1 1 359.470 2.376 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000739960661 603180410 /nfs/dbraw/zinc/18/04/10/603180410.db2.gz AZXCSSOSSXAYGO-KEYYUXOJSA-N -1 1 361.442 2.089 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830084519 603233211 /nfs/dbraw/zinc/23/32/11/603233211.db2.gz JJQJPUCRDPOEIQ-INIZCTEOSA-N -1 1 360.458 2.218 20 0 FEADMM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1NC(=O)[O-] ZINC000830230775 603542543 /nfs/dbraw/zinc/54/25/43/603542543.db2.gz PVGUUTWGHIQTHR-UHFFFAOYSA-N -1 1 370.409 2.498 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1cccc(F)c1 ZINC000828137721 603565127 /nfs/dbraw/zinc/56/51/27/603565127.db2.gz MMMUUHFINDEBMX-HNNXBMFYSA-N -1 1 368.453 2.364 20 0 FEADMM Cc1oc(NC(=O)CN2CCOc3ccc(F)cc32)c(-c2nn[n-]n2)c1C ZINC000826341333 607641537 /nfs/dbraw/zinc/64/15/37/607641537.db2.gz DQVXTLXXVRPYRQ-UHFFFAOYSA-N -1 1 372.360 2.053 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-])c1ccsc1 ZINC000827996341 603689050 /nfs/dbraw/zinc/68/90/50/603689050.db2.gz XJVLVTLJEIQDOF-KWCYVHTRSA-N -1 1 354.476 2.086 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488174 607649778 /nfs/dbraw/zinc/64/97/78/607649778.db2.gz JTQRQGHKSCJGST-GRYCIOLGSA-N -1 1 365.434 2.253 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488174 607649780 /nfs/dbraw/zinc/64/97/80/607649780.db2.gz JTQRQGHKSCJGST-GRYCIOLGSA-N -1 1 365.434 2.253 20 0 FEADMM CCC(CC)(CN[C@@H](C(N)=O)c1ccc(Br)cc1)NC(=O)[O-] ZINC000826560894 603883156 /nfs/dbraw/zinc/88/31/56/603883156.db2.gz BSDBJGOLOVDSGZ-GFCCVEGCSA-N -1 1 372.263 2.392 20 0 FEADMM C[C@@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825075935 603892008 /nfs/dbraw/zinc/89/20/08/603892008.db2.gz OZVHSSODMUPPOG-ANRSDYALSA-N -1 1 354.769 2.486 20 0 FEADMM Cc1cncc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000830634531 603909358 /nfs/dbraw/zinc/90/93/58/603909358.db2.gz YJCWPJPQVRPRMA-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM Cc1cncc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000830634531 603909361 /nfs/dbraw/zinc/90/93/61/603909361.db2.gz YJCWPJPQVRPRMA-UHFFFAOYSA-N -1 1 352.354 2.195 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3ccsc3)cc2)n1 ZINC000832730241 603914004 /nfs/dbraw/zinc/91/40/04/603914004.db2.gz PJJDMFKXSZKLNB-UHFFFAOYSA-N -1 1 357.395 2.482 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3ccsc3)cc2)n[nH]1 ZINC000832730241 603914007 /nfs/dbraw/zinc/91/40/07/603914007.db2.gz PJJDMFKXSZKLNB-UHFFFAOYSA-N -1 1 357.395 2.482 20 0 FEADMM CN(C[C@@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1)C(=O)[O-] ZINC000828260325 603964372 /nfs/dbraw/zinc/96/43/72/603964372.db2.gz RRVLDMFPHKEQLA-SWLSCSKDSA-N -1 1 351.834 2.377 20 0 FEADMM C[C@H](C(=O)N1CCc2sccc2C1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823679112 603985132 /nfs/dbraw/zinc/98/51/32/603985132.db2.gz YDQZVZCSGXMMNB-YUELXQCFSA-N -1 1 363.483 2.238 20 0 FEADMM CCC(CC)(CNC(=O)NCCN1CCc2ccccc2C1)NC(=O)[O-] ZINC000826533552 603991399 /nfs/dbraw/zinc/99/13/99/603991399.db2.gz UDMLJCTYFHROLK-UHFFFAOYSA-N -1 1 362.474 2.170 20 0 FEADMM CCN(c1ccncc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825444378 607665628 /nfs/dbraw/zinc/66/56/28/607665628.db2.gz MBGPLBSRLIAPSU-UHFFFAOYSA-N -1 1 364.818 2.130 20 0 FEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(OCCCNC(=O)[O-])CC1 ZINC000825895901 604102009 /nfs/dbraw/zinc/10/20/09/604102009.db2.gz OJSZAXLWMXSWMS-RDJZCZTQSA-N -1 1 369.506 2.162 20 0 FEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(OCCCNC(=O)[O-])CC1 ZINC000825895897 604102141 /nfs/dbraw/zinc/10/21/41/604102141.db2.gz OJSZAXLWMXSWMS-DOTOQJQBSA-N -1 1 369.506 2.162 20 0 FEADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825893836 604107368 /nfs/dbraw/zinc/10/73/68/604107368.db2.gz BKPCCUPRJGDRGD-BFYDXBDKSA-N -1 1 369.506 2.209 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000832907765 604313231 /nfs/dbraw/zinc/31/32/31/604313231.db2.gz LSDAASQMPMKZKT-KRWDZBQOSA-N -1 1 360.439 2.195 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827695291 604313787 /nfs/dbraw/zinc/31/37/87/604313787.db2.gz QOTTXDRLYHBIOU-MRVPVSSYSA-N -1 1 358.379 2.080 20 0 FEADMM O=C([O-])N1CCC(CNCc2nnc3n2CCC[C@H]3C(F)(F)F)CC1 ZINC000831883626 604517291 /nfs/dbraw/zinc/51/72/91/604517291.db2.gz ZDMFEKWWIRXBJD-LLVKDONJSA-N -1 1 361.368 2.197 20 0 FEADMM CN1CC[C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000833697621 604706898 /nfs/dbraw/zinc/70/68/98/604706898.db2.gz HFZYZBLVZONZBC-ZWKOTPCHSA-N -1 1 374.462 2.250 20 0 FEADMM Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832932410 604772595 /nfs/dbraw/zinc/77/25/95/604772595.db2.gz JIOVRIODNSVKHI-UHFFFAOYSA-N -1 1 363.439 2.418 20 0 FEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000833767685 604780547 /nfs/dbraw/zinc/78/05/47/604780547.db2.gz MFECVWSNCQINNL-ZWKOTPCHSA-N -1 1 365.389 2.342 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(OC)c1C(=O)[O-] ZINC000833734642 604859492 /nfs/dbraw/zinc/85/94/92/604859492.db2.gz QYWGWKKFOWXKCS-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833420962 604865982 /nfs/dbraw/zinc/86/59/82/604865982.db2.gz SYQAVQBKSOLCTP-LLVKDONJSA-N -1 1 372.425 2.484 20 0 FEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000833551073 604939516 /nfs/dbraw/zinc/93/95/16/604939516.db2.gz QMGZASXKZDGMAH-CYBMUJFWSA-N -1 1 371.441 2.465 20 0 FEADMM COc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c2cccnc12 ZINC000832399035 604953549 /nfs/dbraw/zinc/95/35/49/604953549.db2.gz WKRNUWWUEZTNOR-CYBMUJFWSA-N -1 1 372.425 2.256 20 0 FEADMM C[C@H]1CCCN(CCNS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833614676 605018089 /nfs/dbraw/zinc/01/80/89/605018089.db2.gz RTCMPTPRRNHNSG-NSHDSACASA-N -1 1 360.863 2.048 20 0 FEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)n[nH]1 ZINC000833511730 605020854 /nfs/dbraw/zinc/02/08/54/605020854.db2.gz BOHVWYQXMWIWAC-MRVPVSSYSA-N -1 1 352.420 2.285 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Br)cc1F ZINC000833626080 605103361 /nfs/dbraw/zinc/10/33/61/605103361.db2.gz MUFZWLLVYXDKHR-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833589070 605151853 /nfs/dbraw/zinc/15/18/53/605151853.db2.gz UCVSGJCGYCTGKM-YWMUFLPLSA-N -1 1 372.465 2.227 20 0 FEADMM C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833624463 605209234 /nfs/dbraw/zinc/20/92/34/605209234.db2.gz ILEQLCBWXLBXLS-SECBINFHSA-N -1 1 361.225 2.320 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CCN1CCC(=O)[O-] ZINC000833618448 605251511 /nfs/dbraw/zinc/25/15/11/605251511.db2.gz OFNJDIWGYQQTAT-XBFCOCLRSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2)CCN1CCC(=O)[O-] ZINC000833620272 605254213 /nfs/dbraw/zinc/25/42/13/605254213.db2.gz GEGXUOKOOUDETK-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CN3C(=O)CC4(CCCCC4)C3=O)C[C@H]21 ZINC000834177504 605321180 /nfs/dbraw/zinc/32/11/80/605321180.db2.gz CBMMTFVVDNPNNG-RRFJBIMHSA-N -1 1 363.458 2.021 20 0 FEADMM CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC000833677621 605359158 /nfs/dbraw/zinc/35/91/58/605359158.db2.gz WYNFPRZEGBMKAQ-BJOHPYRUSA-N -1 1 352.797 2.363 20 0 FEADMM O=C([O-])N(CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)C1CC1 ZINC000833998756 605374958 /nfs/dbraw/zinc/37/49/58/605374958.db2.gz OFVQWUQXJXQEOS-AWEZNQCLSA-N -1 1 369.425 2.320 20 0 FEADMM O=C([O-])N(CC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)C1CC1 ZINC000833998756 605374967 /nfs/dbraw/zinc/37/49/67/605374967.db2.gz OFVQWUQXJXQEOS-AWEZNQCLSA-N -1 1 369.425 2.320 20 0 FEADMM O=C([O-])N1CC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834070797 605382648 /nfs/dbraw/zinc/38/26/48/605382648.db2.gz JCFNUSYPILFHIL-UONOGXRCSA-N -1 1 355.398 2.135 20 0 FEADMM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000834287608 605421104 /nfs/dbraw/zinc/42/11/04/605421104.db2.gz OCSKCYZHAXTUNR-INIZCTEOSA-N -1 1 369.425 2.466 20 0 FEADMM C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833788572 605445190 /nfs/dbraw/zinc/44/51/90/605445190.db2.gz AVRWJLHVYIPDFX-XWUBHJNHSA-N -1 1 366.849 2.430 20 0 FEADMM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000834244395 605481072 /nfs/dbraw/zinc/48/10/72/605481072.db2.gz AJPBNXLUGZLVQS-UHFFFAOYSA-N -1 1 371.802 2.182 20 0 FEADMM O=C([O-])N[C@H](CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000834125569 605648038 /nfs/dbraw/zinc/64/80/38/605648038.db2.gz QIHODZXMUAMUPJ-QGZVFWFLSA-N -1 1 363.433 2.343 20 0 FEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000834021571 605790877 /nfs/dbraw/zinc/79/08/77/605790877.db2.gz HIVOYXVFBMGTFQ-LSDHHAIUSA-N -1 1 361.442 2.313 20 0 FEADMM Cc1cc(C[C@@H](C)NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)n[nH]1 ZINC000830031511 605806538 /nfs/dbraw/zinc/80/65/38/605806538.db2.gz WBRNSVLSTNXVQN-OTYXRUKQSA-N -1 1 350.806 2.428 20 0 FEADMM CC(C)n1nccc1NC(=O)[C@H](C)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833792146 605899606 /nfs/dbraw/zinc/89/96/06/605899606.db2.gz ZZXQMTIMDKDYNH-AWEZNQCLSA-N -1 1 363.462 2.257 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2nc(CC(F)(F)F)no2)C1)C(F)(F)F ZINC000810069108 674529238 /nfs/dbraw/zinc/52/92/38/674529238.db2.gz WYEBBIRLQOOCIW-QMMMGPOBSA-N -1 1 374.285 2.065 20 0 FEADMM O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823393422 606135024 /nfs/dbraw/zinc/13/50/24/606135024.db2.gz XQBGKXSJDHHWIC-CQSZACIVSA-N -1 1 369.406 2.105 20 0 FEADMM O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823393422 606135025 /nfs/dbraw/zinc/13/50/25/606135025.db2.gz XQBGKXSJDHHWIC-CQSZACIVSA-N -1 1 369.406 2.105 20 0 FEADMM O=C(OCc1nc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440440 606136145 /nfs/dbraw/zinc/13/61/45/606136145.db2.gz UBEFHZTWSRQQIY-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM O=C(OCc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440440 606136146 /nfs/dbraw/zinc/13/61/46/606136146.db2.gz UBEFHZTWSRQQIY-UHFFFAOYSA-N -1 1 354.351 2.335 20 0 FEADMM CCOc1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821438346 606137705 /nfs/dbraw/zinc/13/77/05/606137705.db2.gz ZVPGNDMONDHECY-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM CCOc1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821438346 606137707 /nfs/dbraw/zinc/13/77/07/606137707.db2.gz ZVPGNDMONDHECY-UHFFFAOYSA-N -1 1 373.394 2.122 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000820380695 606156438 /nfs/dbraw/zinc/15/64/38/606156438.db2.gz YVKLHLUKYMGHIF-SSDOTTSWSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000820380695 606156440 /nfs/dbraw/zinc/15/64/40/606156440.db2.gz YVKLHLUKYMGHIF-SSDOTTSWSA-N -1 1 364.772 2.275 20 0 FEADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820643056 606160619 /nfs/dbraw/zinc/16/06/19/606160619.db2.gz PJHHLMIPZNKGJL-OCCSQVGLSA-N -1 1 366.429 2.085 20 0 FEADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820643056 606160620 /nfs/dbraw/zinc/16/06/20/606160620.db2.gz PJHHLMIPZNKGJL-OCCSQVGLSA-N -1 1 366.429 2.085 20 0 FEADMM CC(C)CN(Cc1ccccc1F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820092407 606167738 /nfs/dbraw/zinc/16/77/38/606167738.db2.gz LAVPFQMWMZHNJU-UHFFFAOYSA-N -1 1 372.408 2.429 20 0 FEADMM CC(C)CN(Cc1ccccc1F)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820092407 606167739 /nfs/dbraw/zinc/16/77/39/606167739.db2.gz LAVPFQMWMZHNJU-UHFFFAOYSA-N -1 1 372.408 2.429 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CC2CC2)c2ccccc2)n1 ZINC000822609366 606170707 /nfs/dbraw/zinc/17/07/07/606170707.db2.gz MXQULPSGVBDREO-CQSZACIVSA-N -1 1 352.402 2.263 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CC2CC2)c2ccccc2)n1 ZINC000822609366 606170708 /nfs/dbraw/zinc/17/07/08/606170708.db2.gz MXQULPSGVBDREO-CQSZACIVSA-N -1 1 352.402 2.263 20 0 FEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000820920997 606171917 /nfs/dbraw/zinc/17/19/17/606171917.db2.gz USKMHDMFXXODNI-GFCCVEGCSA-N -1 1 362.344 2.151 20 0 FEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820920997 606171918 /nfs/dbraw/zinc/17/19/18/606171918.db2.gz USKMHDMFXXODNI-GFCCVEGCSA-N -1 1 362.344 2.151 20 0 FEADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820743137 606172494 /nfs/dbraw/zinc/17/24/94/606172494.db2.gz QUFRMXJNGVXLKG-GXTWGEPZSA-N -1 1 366.429 2.258 20 0 FEADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820743137 606172495 /nfs/dbraw/zinc/17/24/95/606172495.db2.gz QUFRMXJNGVXLKG-GXTWGEPZSA-N -1 1 366.429 2.258 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)c2ccccc2Cl)n1 ZINC000822613113 606173718 /nfs/dbraw/zinc/17/37/18/606173718.db2.gz AQNKJFOASPPIAO-UHFFFAOYSA-N -1 1 374.836 2.353 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)c2ccccc2Cl)n1 ZINC000822613113 606173720 /nfs/dbraw/zinc/17/37/20/606173720.db2.gz AQNKJFOASPPIAO-UHFFFAOYSA-N -1 1 374.836 2.353 20 0 FEADMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)no1 ZINC000810116008 674532983 /nfs/dbraw/zinc/53/29/83/674532983.db2.gz DZGBACSCZMORKH-SECBINFHSA-N -1 1 360.823 2.083 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(=O)CC(C)C ZINC000822540968 606368859 /nfs/dbraw/zinc/36/88/59/606368859.db2.gz IPUMOASBROKUQR-UHFFFAOYSA-N -1 1 357.370 2.331 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(=O)CC(C)C ZINC000822540968 606368861 /nfs/dbraw/zinc/36/88/61/606368861.db2.gz IPUMOASBROKUQR-UHFFFAOYSA-N -1 1 357.370 2.331 20 0 FEADMM Cc1occc1-c1cc(NCc2ccc(-c3nn[n-]n3)s2)n(CCO)n1 ZINC000822554139 606417327 /nfs/dbraw/zinc/41/73/27/606417327.db2.gz VAXGTGUJWMQMOX-UHFFFAOYSA-N -1 1 371.426 2.298 20 0 FEADMM Cc1c(CS(C)(=O)=O)cccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822034670 606420689 /nfs/dbraw/zinc/42/06/89/606420689.db2.gz IZXUGAWVTARKJH-UHFFFAOYSA-N -1 1 363.468 2.393 20 0 FEADMM Cc1cnc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)s1 ZINC000822394966 606481185 /nfs/dbraw/zinc/48/11/85/606481185.db2.gz MKOOILKIPBLPDI-UHFFFAOYSA-N -1 1 362.850 2.007 20 0 FEADMM Cc1cnc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)s1 ZINC000822394966 606481187 /nfs/dbraw/zinc/48/11/87/606481187.db2.gz MKOOILKIPBLPDI-UHFFFAOYSA-N -1 1 362.850 2.007 20 0 FEADMM CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821119120 606493545 /nfs/dbraw/zinc/49/35/45/606493545.db2.gz VEUOUOPUICKIMO-UHFFFAOYSA-N -1 1 356.411 2.320 20 0 FEADMM CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821119120 606493547 /nfs/dbraw/zinc/49/35/47/606493547.db2.gz VEUOUOPUICKIMO-UHFFFAOYSA-N -1 1 356.411 2.320 20 0 FEADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820011710 606499430 /nfs/dbraw/zinc/49/94/30/606499430.db2.gz OVUNDCZXAHNESS-UHFFFAOYSA-N -1 1 370.438 2.453 20 0 FEADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820011710 606499432 /nfs/dbraw/zinc/49/94/32/606499432.db2.gz OVUNDCZXAHNESS-UHFFFAOYSA-N -1 1 370.438 2.453 20 0 FEADMM O=C(NCc1ccccc1Cn1cccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261517 606499520 /nfs/dbraw/zinc/49/95/20/606499520.db2.gz LGRWTFDPJJNYMN-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM O=C(NCc1ccccc1Cn1cccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261517 606499522 /nfs/dbraw/zinc/49/95/22/606499522.db2.gz LGRWTFDPJJNYMN-UHFFFAOYSA-N -1 1 365.422 2.103 20 0 FEADMM COc1ccccc1OCCN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821903648 606516594 /nfs/dbraw/zinc/51/65/94/606516594.db2.gz ITIKVSBPGHSDDC-UHFFFAOYSA-N -1 1 359.411 2.088 20 0 FEADMM COc1ccccc1OCCN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821903648 606516595 /nfs/dbraw/zinc/51/65/95/606516595.db2.gz ITIKVSBPGHSDDC-UHFFFAOYSA-N -1 1 359.411 2.088 20 0 FEADMM O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823198067 606522050 /nfs/dbraw/zinc/52/20/50/606522050.db2.gz YDHIQYSURABSLV-UHFFFAOYSA-N -1 1 353.411 2.167 20 0 FEADMM O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823198067 606522051 /nfs/dbraw/zinc/52/20/51/606522051.db2.gz YDHIQYSURABSLV-UHFFFAOYSA-N -1 1 353.411 2.167 20 0 FEADMM CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000819826196 606529023 /nfs/dbraw/zinc/52/90/23/606529023.db2.gz GMHNFHMQLNIMES-UHFFFAOYSA-N -1 1 368.422 2.085 20 0 FEADMM CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000819826196 606529025 /nfs/dbraw/zinc/52/90/25/606529025.db2.gz GMHNFHMQLNIMES-UHFFFAOYSA-N -1 1 368.422 2.085 20 0 FEADMM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350622 606570335 /nfs/dbraw/zinc/57/03/35/606570335.db2.gz USFRRMAQPNRMMT-GFCCVEGCSA-N -1 1 357.395 2.348 20 0 FEADMM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350622 606570336 /nfs/dbraw/zinc/57/03/36/606570336.db2.gz USFRRMAQPNRMMT-GFCCVEGCSA-N -1 1 357.395 2.348 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2N(C)C1=O ZINC000820742949 606572376 /nfs/dbraw/zinc/57/23/76/606572376.db2.gz OIBKOZNGCLAXHM-JTQLQIEISA-N -1 1 368.422 2.188 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2N(C)C1=O ZINC000820742949 606572378 /nfs/dbraw/zinc/57/23/78/606572378.db2.gz OIBKOZNGCLAXHM-JTQLQIEISA-N -1 1 368.422 2.188 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1csc(CCc2ccccc2)n1 ZINC000823657865 606601416 /nfs/dbraw/zinc/60/14/16/606601416.db2.gz WEPCQUPJOIUYTQ-UHFFFAOYSA-N -1 1 364.434 2.318 20 0 FEADMM C[C@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1 ZINC000820225602 606650839 /nfs/dbraw/zinc/65/08/39/606650839.db2.gz MNGNDRXECBOJLY-LLVKDONJSA-N -1 1 369.356 2.353 20 0 FEADMM C[C@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1 ZINC000820225602 606650840 /nfs/dbraw/zinc/65/08/40/606650840.db2.gz MNGNDRXECBOJLY-LLVKDONJSA-N -1 1 369.356 2.353 20 0 FEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820518447 606654097 /nfs/dbraw/zinc/65/40/97/606654097.db2.gz DTFKYPFSYJEXGL-SNVBAGLBSA-N -1 1 367.394 2.427 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822240965 606763923 /nfs/dbraw/zinc/76/39/23/606763923.db2.gz GWWQODFLGBPLQN-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820825748 606843091 /nfs/dbraw/zinc/84/30/91/606843091.db2.gz CQVBQICWMDWVIZ-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000820438190 606884437 /nfs/dbraw/zinc/88/44/37/606884437.db2.gz KFOMUQAGFPQMPA-SSDOTTSWSA-N -1 1 371.394 2.246 20 0 FEADMM CC(C)(C)N1CC[C@](F)(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000810518197 674548570 /nfs/dbraw/zinc/54/85/70/674548570.db2.gz RUMOLNFAWNSZIS-XLNAKTSKSA-N -1 1 354.447 2.316 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1-c1ccc(C)cc1 ZINC000822225106 607106585 /nfs/dbraw/zinc/10/65/85/607106585.db2.gz OPXKUTMAFOZQIE-UHFFFAOYSA-N -1 1 366.410 2.378 20 0 FEADMM Cc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1-c1ccc(C)cc1 ZINC000822225106 607106587 /nfs/dbraw/zinc/10/65/87/607106587.db2.gz OPXKUTMAFOZQIE-UHFFFAOYSA-N -1 1 366.410 2.378 20 0 FEADMM CSc1ccc(O[C@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821983441 607109432 /nfs/dbraw/zinc/10/94/32/607109432.db2.gz HQIZCIXUIXTITM-MRVPVSSYSA-N -1 1 362.440 2.451 20 0 FEADMM CSc1ccc(O[C@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821983441 607109433 /nfs/dbraw/zinc/10/94/33/607109433.db2.gz HQIZCIXUIXTITM-MRVPVSSYSA-N -1 1 362.440 2.451 20 0 FEADMM Clc1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)nc1-c1nnn[n-]1 ZINC000822578619 607176650 /nfs/dbraw/zinc/17/66/50/607176650.db2.gz MDFRSFDTBJTKQG-OTYXRUKQSA-N -1 1 352.851 2.382 20 0 FEADMM Clc1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)nc1-c1nn[n-]n1 ZINC000822578619 607176651 /nfs/dbraw/zinc/17/66/51/607176651.db2.gz MDFRSFDTBJTKQG-OTYXRUKQSA-N -1 1 352.851 2.382 20 0 FEADMM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426135 607803527 /nfs/dbraw/zinc/80/35/27/607803527.db2.gz GHEHFSLUBHSMLF-SUMWQHHRSA-N -1 1 364.409 2.159 20 0 FEADMM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426135 607803528 /nfs/dbraw/zinc/80/35/28/607803528.db2.gz GHEHFSLUBHSMLF-SUMWQHHRSA-N -1 1 364.409 2.159 20 0 FEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@H]1CCCO1 ZINC000826271811 607881929 /nfs/dbraw/zinc/88/19/29/607881929.db2.gz IQQNZQRZKCJPDO-OAHLLOKOSA-N -1 1 366.381 2.480 20 0 FEADMM CN(c1cccc(-c2nnn[n-]2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000826010270 607898166 /nfs/dbraw/zinc/89/81/66/607898166.db2.gz GNTODZZTBHBRBB-UHFFFAOYSA-N -1 1 363.425 2.003 20 0 FEADMM CN(c1cccc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000826010270 607898167 /nfs/dbraw/zinc/89/81/67/607898167.db2.gz GNTODZZTBHBRBB-UHFFFAOYSA-N -1 1 363.425 2.003 20 0 FEADMM Cc1noc(COc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2)n1 ZINC000826340106 607900064 /nfs/dbraw/zinc/90/00/64/607900064.db2.gz HUXYZCFNRZJHPS-UHFFFAOYSA-N -1 1 350.342 2.276 20 0 FEADMM Cc1noc(COc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)n1 ZINC000826340106 607900065 /nfs/dbraw/zinc/90/00/65/607900065.db2.gz HUXYZCFNRZJHPS-UHFFFAOYSA-N -1 1 350.342 2.276 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCC12CCCCC2 ZINC000826496296 607976237 /nfs/dbraw/zinc/97/62/37/607976237.db2.gz RFTLEUBUXFPNJP-UHFFFAOYSA-N -1 1 365.434 2.493 20 0 FEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCC12CCCCC2 ZINC000826496296 607976238 /nfs/dbraw/zinc/97/62/38/607976238.db2.gz RFTLEUBUXFPNJP-UHFFFAOYSA-N -1 1 365.434 2.493 20 0 FEADMM COc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c(OC)c1 ZINC000826189962 607988332 /nfs/dbraw/zinc/98/83/32/607988332.db2.gz KWMVFAMRDIPUDK-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c(OC)c1 ZINC000826189962 607988333 /nfs/dbraw/zinc/98/83/33/607988333.db2.gz KWMVFAMRDIPUDK-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM CC(C)(C)OC(=O)N1CC(CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824103682 608098212 /nfs/dbraw/zinc/09/82/12/608098212.db2.gz HEEODHJGCQJINQ-UHFFFAOYSA-N -1 1 371.854 2.255 20 0 FEADMM CC(C)(C)OC(=O)N1CC(CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824103682 608098213 /nfs/dbraw/zinc/09/82/13/608098213.db2.gz HEEODHJGCQJINQ-UHFFFAOYSA-N -1 1 371.854 2.255 20 0 FEADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000826430141 608102030 /nfs/dbraw/zinc/10/20/30/608102030.db2.gz VCZZKRGJGKHNAN-VHSKPIJISA-N -1 1 353.498 2.038 20 0 FEADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000826430141 608102031 /nfs/dbraw/zinc/10/20/31/608102031.db2.gz VCZZKRGJGKHNAN-VHSKPIJISA-N -1 1 353.498 2.038 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C2CC2)C1 ZINC000826340684 608121462 /nfs/dbraw/zinc/12/14/62/608121462.db2.gz HEKUSGDMOYJOJQ-ZDUSSCGKSA-N -1 1 352.398 2.431 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C2CC2)C1 ZINC000826340684 608121463 /nfs/dbraw/zinc/12/14/63/608121463.db2.gz HEKUSGDMOYJOJQ-ZDUSSCGKSA-N -1 1 352.398 2.431 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000826232975 608139794 /nfs/dbraw/zinc/13/97/94/608139794.db2.gz OTMKPNOSNILFCQ-NSHDSACASA-N -1 1 372.473 2.411 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000826232974 608139889 /nfs/dbraw/zinc/13/98/89/608139889.db2.gz OTMKPNOSNILFCQ-LLVKDONJSA-N -1 1 372.473 2.411 20 0 FEADMM CC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)[C@H](CC)CN1C(C)=O ZINC000825221182 608187433 /nfs/dbraw/zinc/18/74/33/608187433.db2.gz YREWAYZJMNHJAD-NXEZZACHSA-N -1 1 369.882 2.202 20 0 FEADMM CC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)[C@H](CC)CN1C(C)=O ZINC000825221182 608187434 /nfs/dbraw/zinc/18/74/34/608187434.db2.gz YREWAYZJMNHJAD-NXEZZACHSA-N -1 1 369.882 2.202 20 0 FEADMM CCCOC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000825338767 608276677 /nfs/dbraw/zinc/27/66/77/608276677.db2.gz HINGYSGOWSCJTE-HNNXBMFYSA-N -1 1 367.365 2.113 20 0 FEADMM CCCOC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000825338767 608276679 /nfs/dbraw/zinc/27/66/79/608276679.db2.gz HINGYSGOWSCJTE-HNNXBMFYSA-N -1 1 367.365 2.113 20 0 FEADMM O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826454531 608332193 /nfs/dbraw/zinc/33/21/93/608332193.db2.gz ACGWSBOAGRAGNG-UHFFFAOYSA-N -1 1 364.287 2.297 20 0 FEADMM O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826454531 608332195 /nfs/dbraw/zinc/33/21/95/608332195.db2.gz ACGWSBOAGRAGNG-UHFFFAOYSA-N -1 1 364.287 2.297 20 0 FEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650548 608410114 /nfs/dbraw/zinc/41/01/14/608410114.db2.gz RNUQCOFCEAIVCT-NWDGAFQWSA-N -1 1 374.449 2.104 20 0 FEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824650548 608410116 /nfs/dbraw/zinc/41/01/16/608410116.db2.gz RNUQCOFCEAIVCT-NWDGAFQWSA-N -1 1 374.449 2.104 20 0 FEADMM CC(=O)N(Cc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1)C(C)C ZINC000823966958 608418932 /nfs/dbraw/zinc/41/89/32/608418932.db2.gz FGSLYMSNVMVERS-UHFFFAOYSA-N -1 1 352.402 2.157 20 0 FEADMM CC(=O)N(Cc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1)C(C)C ZINC000823966958 608418934 /nfs/dbraw/zinc/41/89/34/608418934.db2.gz FGSLYMSNVMVERS-UHFFFAOYSA-N -1 1 352.402 2.157 20 0 FEADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825259786 608431711 /nfs/dbraw/zinc/43/17/11/608431711.db2.gz KYBRJFOPYPORTK-NSHDSACASA-N -1 1 362.438 2.152 20 0 FEADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825259786 608431713 /nfs/dbraw/zinc/43/17/13/608431713.db2.gz KYBRJFOPYPORTK-NSHDSACASA-N -1 1 362.438 2.152 20 0 FEADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825341649 608527892 /nfs/dbraw/zinc/52/78/92/608527892.db2.gz GTOPKFVHYJAXMN-UHFFFAOYSA-N -1 1 359.411 2.456 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000826280193 608544393 /nfs/dbraw/zinc/54/43/93/608544393.db2.gz QRVACUHQGLHBGX-UHFFFAOYSA-N -1 1 369.473 2.235 20 0 FEADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824900959 608565055 /nfs/dbraw/zinc/56/50/55/608565055.db2.gz WXFQEJIIFVKQQQ-ZETOZRRWSA-N -1 1 365.434 2.348 20 0 FEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1COC2(CCCCC2)O1 ZINC000826523100 608586182 /nfs/dbraw/zinc/58/61/82/608586182.db2.gz ALKBLQJCOQMATJ-GFCCVEGCSA-N -1 1 367.413 2.298 20 0 FEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1COC2(CCCCC2)O1 ZINC000826523100 608586184 /nfs/dbraw/zinc/58/61/84/608586184.db2.gz ALKBLQJCOQMATJ-GFCCVEGCSA-N -1 1 367.413 2.298 20 0 FEADMM CON(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000826166760 609143236 /nfs/dbraw/zinc/14/32/36/609143236.db2.gz ZSPNZXOHAWCSSN-UHFFFAOYSA-N -1 1 356.386 2.079 20 0 FEADMM CC/C(C)=C(\C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825052793 609195684 /nfs/dbraw/zinc/19/56/84/609195684.db2.gz YWPBCBDMOKHRKA-VAWYXSNFSA-N -1 1 371.445 2.127 20 0 FEADMM CC/C(C)=C(/C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825052792 609195787 /nfs/dbraw/zinc/19/57/87/609195787.db2.gz YWPBCBDMOKHRKA-QXMHVHEDSA-N -1 1 371.445 2.127 20 0 FEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000826261850 609246056 /nfs/dbraw/zinc/24/60/56/609246056.db2.gz UZOJRJUHOARUML-NSHDSACASA-N -1 1 353.386 2.095 20 0 FEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1 ZINC000826261850 609246057 /nfs/dbraw/zinc/24/60/57/609246057.db2.gz UZOJRJUHOARUML-NSHDSACASA-N -1 1 353.386 2.095 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N(C)c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826229696 609298106 /nfs/dbraw/zinc/29/81/06/609298106.db2.gz NMCHIETWIPGZGE-UHFFFAOYSA-N -1 1 356.411 2.274 20 0 FEADMM CCn1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825799493 609319822 /nfs/dbraw/zinc/31/98/22/609319822.db2.gz MPNMGTLHAJFTLJ-UHFFFAOYSA-N -1 1 353.365 2.020 20 0 FEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCC(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000826342414 609393083 /nfs/dbraw/zinc/39/30/83/609393083.db2.gz JBCZKTNSPCTQKL-LLVKDONJSA-N -1 1 361.402 2.385 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000826229688 609434061 /nfs/dbraw/zinc/43/40/61/609434061.db2.gz NBZZDXKZDPCZQA-DYZYQPBXSA-N -1 1 374.470 2.342 20 0 FEADMM CC[C@H](C)n1ncc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1C1CC1 ZINC000825083024 609468088 /nfs/dbraw/zinc/46/80/88/609468088.db2.gz WRNUSZXORYEMIY-VIFPVBQESA-N -1 1 370.417 2.389 20 0 FEADMM CC[C@H](C)n1ncc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1C1CC1 ZINC000825083024 609468090 /nfs/dbraw/zinc/46/80/90/609468090.db2.gz WRNUSZXORYEMIY-VIFPVBQESA-N -1 1 370.417 2.389 20 0 FEADMM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000559989460 674563058 /nfs/dbraw/zinc/56/30/58/674563058.db2.gz RJBFVYNOSJZGON-UHFFFAOYSA-N -1 1 357.819 2.458 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2cc3c(c(Cl)c2)OCO3)n[n-]1 ZINC000559989460 674563059 /nfs/dbraw/zinc/56/30/59/674563059.db2.gz RJBFVYNOSJZGON-UHFFFAOYSA-N -1 1 357.819 2.458 20 0 FEADMM O=C([O-])C[C@H](CNS(=O)(=O)c1cc2ccccc2o1)C(F)(F)F ZINC000560420603 674586114 /nfs/dbraw/zinc/58/61/14/674586114.db2.gz BVTQZZLMWVZWLA-SECBINFHSA-N -1 1 351.302 2.364 20 0 FEADMM COCc1cnc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000811515332 674610450 /nfs/dbraw/zinc/61/04/50/674610450.db2.gz YHTUQSAHRKLUKV-SNVBAGLBSA-N -1 1 351.394 2.180 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CCCSC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000811528923 674611632 /nfs/dbraw/zinc/61/16/32/674611632.db2.gz OPWDDXAKZDUPQK-YFKTTZPYSA-N -1 1 352.422 2.434 20 0 FEADMM O=S(=O)(CCOCC(F)(F)F)[N-]c1c(F)cccc1-n1cccn1 ZINC000811682807 674620265 /nfs/dbraw/zinc/62/02/65/674620265.db2.gz HUWVUTQDOKUDKL-UHFFFAOYSA-N -1 1 367.324 2.332 20 0 FEADMM Cc1cnc(C(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c([O-])c1 ZINC000561039364 674631746 /nfs/dbraw/zinc/63/17/46/674631746.db2.gz GMYXLLZDLFWVLA-NSHDSACASA-N -1 1 359.348 2.016 20 0 FEADMM O=C(NOC/C=C\Cl)c1cc(I)ccc1[O-] ZINC000812401824 674672636 /nfs/dbraw/zinc/67/26/36/674672636.db2.gz NXFJFKFWPDHVBZ-RJRFIUFISA-N -1 1 353.543 2.411 20 0 FEADMM COCc1ccccc1CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccsc1 ZINC000561530094 674676109 /nfs/dbraw/zinc/67/61/09/674676109.db2.gz RJCRBJPDPDVJBX-HNNXBMFYSA-N -1 1 369.464 2.228 20 0 FEADMM Cc1cc(OS(=O)(=O)c2c[n-]cn2)ccc1I ZINC000812531673 674683342 /nfs/dbraw/zinc/68/33/42/674683342.db2.gz UZRXIMFBQQFZOG-UHFFFAOYSA-N -1 1 364.164 2.090 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)[C@H]1CCCOC1 ZINC000561722175 674693191 /nfs/dbraw/zinc/69/31/91/674693191.db2.gz JLUMTQNATSAVSY-IRXDYDNUSA-N -1 1 369.483 2.081 20 0 FEADMM CCOC(=O)C(CC)(CC)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000561990334 674713374 /nfs/dbraw/zinc/71/33/74/674713374.db2.gz FRLMXKOBYIYEHW-UHFFFAOYSA-N -1 1 369.487 2.383 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1C ZINC000562235279 674731638 /nfs/dbraw/zinc/73/16/38/674731638.db2.gz WEBBSUPGXLZVJF-UHFFFAOYSA-N -1 1 363.317 2.324 20 0 FEADMM CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000562430881 674755824 /nfs/dbraw/zinc/75/58/24/674755824.db2.gz PRWGIKRIPFJHDL-UHFFFAOYSA-N -1 1 357.234 2.278 20 0 FEADMM O=C(C[C@H](O)Cc1ccccc1)Nc1nc(Br)ccc1[O-] ZINC000813533078 674757185 /nfs/dbraw/zinc/75/71/85/674757185.db2.gz KRVNCXGFBQTOML-LLVKDONJSA-N -1 1 351.200 2.482 20 0 FEADMM C[C@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813634674 674763510 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ZINC000578197524 671648128 /nfs/dbraw/zinc/64/81/28/671648128.db2.gz NYOTWCSLTIWVFB-LLVKDONJSA-N -1 1 372.512 2.250 20 0 FEADMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000609541846 675925464 /nfs/dbraw/zinc/92/54/64/675925464.db2.gz XOVDWCPVHOOFGO-INIZCTEOSA-N -1 1 366.439 2.349 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000579053460 671708765 /nfs/dbraw/zinc/70/87/65/671708765.db2.gz LABNAFKBIKVPTO-NSHDSACASA-N -1 1 357.819 2.411 20 0 FEADMM Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000580933944 671847623 /nfs/dbraw/zinc/84/76/23/671847623.db2.gz QXOIDRYUADTTKJ-IINYFYTJSA-N -1 1 373.837 2.411 20 0 FEADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(C(N)=O)cs2)c1 ZINC000118705053 671887593 /nfs/dbraw/zinc/88/75/93/671887593.db2.gz XTYZUMGEARAIJB-UHFFFAOYSA-N -1 1 374.451 2.110 20 0 FEADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(C3CC3)CC2)c1 ZINC000124766693 672002195 /nfs/dbraw/zinc/00/21/95/672002195.db2.gz WLFLKYVYBMRWBA-UHFFFAOYSA-N -1 1 357.483 2.223 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000125558603 672013499 /nfs/dbraw/zinc/01/34/99/672013499.db2.gz RZWMGKGJTHUKTL-UHFFFAOYSA-N -1 1 362.333 2.118 20 0 FEADMM C[C@@H]1NC(C(=O)Nc2ccc([O-])c(Cl)c2)=NN(c2ccccc2)C1=O ZINC000129641856 672065132 /nfs/dbraw/zinc/06/51/32/672065132.db2.gz FVVPPUDMMCJLNU-JTQLQIEISA-N -1 1 358.785 2.323 20 0 FEADMM C[C@H]1NC(C(=O)Nc2ccc([O-])c(Cl)c2)=NN(c2ccccc2)C1=O ZINC000129641616 672065140 /nfs/dbraw/zinc/06/51/40/672065140.db2.gz FVVPPUDMMCJLNU-SNVBAGLBSA-N -1 1 358.785 2.323 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C(=O)[O-] ZINC000583147370 672067786 /nfs/dbraw/zinc/06/77/86/672067786.db2.gz KTYMCJJWUSTTDB-MWLCHTKSSA-N -1 1 372.874 2.250 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1C(=O)[O-] ZINC000583147370 672067789 /nfs/dbraw/zinc/06/77/89/672067789.db2.gz KTYMCJJWUSTTDB-MWLCHTKSSA-N -1 1 372.874 2.250 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000583181131 672070669 /nfs/dbraw/zinc/07/06/69/672070669.db2.gz AUVHTUYNJJZUBG-AWEZNQCLSA-N -1 1 350.444 2.089 20 0 FEADMM CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1=O ZINC000583814241 672128770 /nfs/dbraw/zinc/12/87/70/672128770.db2.gz RZWGNPVADOSFSY-LLVKDONJSA-N -1 1 355.232 2.284 20 0 FEADMM CCOC[C@H](C)NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000142894943 672148918 /nfs/dbraw/zinc/14/89/18/672148918.db2.gz DVPCDELLNNLGPV-NSHDSACASA-N -1 1 350.444 2.157 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@H](O)C2(CC2)C1 ZINC000584263879 672170676 /nfs/dbraw/zinc/17/06/76/672170676.db2.gz VDZQRHQSHPFGTJ-LBPRGKRZSA-N -1 1 363.211 2.300 20 0 FEADMM CCc1nncn1CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000584385415 672182118 /nfs/dbraw/zinc/18/21/18/672182118.db2.gz BJUUKIZFOBWOFF-UHFFFAOYSA-N -1 1 367.233 2.265 20 0 FEADMM Cc1oc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000584474815 672192012 /nfs/dbraw/zinc/19/20/12/672192012.db2.gz INYCEKIDDMYGOL-JTQLQIEISA-N -1 1 352.412 2.127 20 0 FEADMM CO[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1Cl ZINC000153782714 672204417 /nfs/dbraw/zinc/20/44/17/672204417.db2.gz UVOHFOWKZYYOLL-LLVKDONJSA-N -1 1 364.254 2.393 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H](O)c2ccc3ccccc3c2)c1Cl ZINC000158801282 672273108 /nfs/dbraw/zinc/27/31/08/672273108.db2.gz WQOOSLCSHBFMJZ-CQSZACIVSA-N -1 1 365.842 2.239 20 0 FEADMM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cc1 ZINC000173708068 672354067 /nfs/dbraw/zinc/35/40/67/672354067.db2.gz BUOUSJCYZBIUIH-ZDUSSCGKSA-N -1 1 368.890 2.329 20 0 FEADMM O=C(Cc1cc[nH]n1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000173947747 672356158 /nfs/dbraw/zinc/35/61/58/672356158.db2.gz NBYFZBWWOXYGRY-UHFFFAOYSA-N -1 1 356.407 2.392 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)CO2 ZINC000174775499 672363076 /nfs/dbraw/zinc/36/30/76/672363076.db2.gz OTXXOJYHUUGVPT-UHFFFAOYSA-N -1 1 350.371 2.290 20 0 FEADMM CCOC(=O)[C@H](C)CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000175159929 672365684 /nfs/dbraw/zinc/36/56/84/672365684.db2.gz QNQGASSFVKDACL-GFCCVEGCSA-N -1 1 362.455 2.232 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)cn1 ZINC000180760145 672417833 /nfs/dbraw/zinc/41/78/33/672417833.db2.gz WNCIDSIRBIRVGR-LLVKDONJSA-N -1 1 355.288 2.280 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(C)cc2Br)n[nH]1 ZINC000182815931 672454275 /nfs/dbraw/zinc/45/42/75/672454275.db2.gz OIFVSRGWNGIPBE-UHFFFAOYSA-N -1 1 352.192 2.256 20 0 FEADMM CCn1nc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1=O ZINC000679244086 672479905 /nfs/dbraw/zinc/47/99/05/672479905.db2.gz SKHYOHVNHVDIBJ-UHFFFAOYSA-N -1 1 352.188 2.292 20 0 FEADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1c(F)cc(F)cc1F ZINC000589149738 672509543 /nfs/dbraw/zinc/50/95/43/672509543.db2.gz MMKJRUSRZLDJPJ-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM COc1ccccc1C1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CCC1 ZINC000185104592 672519086 /nfs/dbraw/zinc/51/90/86/672519086.db2.gz YIKWSCJXQWGELA-UHFFFAOYSA-N -1 1 369.874 2.482 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](OC(F)F)C2)c(=O)[n-]1 ZINC000679718193 672520740 /nfs/dbraw/zinc/52/07/40/672520740.db2.gz CTGSVJMNQUPHOQ-SNVBAGLBSA-N -1 1 361.414 2.375 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c1 ZINC000589431467 672524757 /nfs/dbraw/zinc/52/47/57/672524757.db2.gz UWYPLYIFWQVSDQ-UHFFFAOYSA-N -1 1 370.452 2.005 20 0 FEADMM O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)Nc1c([O-])cccc1F ZINC000611294864 676030673 /nfs/dbraw/zinc/03/06/73/676030673.db2.gz KSJCRWXUBIIFKW-VWLOTQADSA-N -1 1 365.382 2.439 20 0 FEADMM C[C@@](O)(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000188856608 672600182 /nfs/dbraw/zinc/60/01/82/672600182.db2.gz MXHHRTFKRBBLJV-MRXNPFEDSA-N -1 1 368.386 2.310 20 0 FEADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000189977617 672628407 /nfs/dbraw/zinc/62/84/07/672628407.db2.gz OJLYZDFRLFXIDB-BDAKNGLRSA-N -1 1 357.204 2.468 20 0 FEADMM COC(=O)c1ccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)s1 ZINC000590891001 672629718 /nfs/dbraw/zinc/62/97/18/672629718.db2.gz CBNNQNRNXPTEOS-UHFFFAOYSA-N -1 1 364.398 2.342 20 0 FEADMM C[C@@H](OCC1CC1)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000681124116 672631232 /nfs/dbraw/zinc/63/12/32/672631232.db2.gz FNPZKLDUEZHHEC-AMIZOPFISA-N -1 1 353.785 2.013 20 0 FEADMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)Cc1ccccc1 ZINC000681576734 672676083 /nfs/dbraw/zinc/67/60/83/672676083.db2.gz DHDMHLYDPHTXLH-LLVKDONJSA-N -1 1 373.352 2.326 20 0 FEADMM O=C([N-]NC(=O)c1cccnc1)c1cc(Br)c(F)cc1F ZINC000192052873 672680705 /nfs/dbraw/zinc/68/07/05/672680705.db2.gz UPAPEMGGTCBYSH-UHFFFAOYSA-N -1 1 356.126 2.197 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCc1ccc(C)cc1C ZINC000591585125 672692364 /nfs/dbraw/zinc/69/23/64/672692364.db2.gz CKAMYEXRPOKTLT-UHFFFAOYSA-N -1 1 365.455 2.114 20 0 FEADMM CC(NCCc1ccccc1F)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192694544 672698678 /nfs/dbraw/zinc/69/86/78/672698678.db2.gz KCCHESWQEBCNOG-NTCAYCPXSA-N -1 1 363.458 2.131 20 0 FEADMM O=C(NC[C@H](O)c1cc2ccccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193692086 672733075 /nfs/dbraw/zinc/73/30/75/672733075.db2.gz MYLKNCLBQGEVQM-LBPRGKRZSA-N -1 1 359.363 2.374 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000611736460 676052620 /nfs/dbraw/zinc/05/26/20/676052620.db2.gz MSGQRZLVWWARKC-UHFFFAOYSA-N -1 1 355.391 2.434 20 0 FEADMM CCOC(=O)C[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592031077 672737280 /nfs/dbraw/zinc/73/72/80/672737280.db2.gz BGOISYMXDNPWMV-UHFFFAOYSA-N -1 1 370.652 2.085 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2(c3ccccc3OC)CC2)c1 ZINC000592070266 672747105 /nfs/dbraw/zinc/74/71/05/672747105.db2.gz MCNOTHKIXGLOIL-UHFFFAOYSA-N -1 1 351.380 2.042 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC(C)(C)C ZINC000592101184 672756183 /nfs/dbraw/zinc/75/61/83/672756183.db2.gz XATVRRMKMLLEHE-LBPRGKRZSA-N -1 1 354.428 2.368 20 0 FEADMM CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195112805 672775844 /nfs/dbraw/zinc/77/58/44/672775844.db2.gz USGJUQFYKPBYJU-UWVGGRQHSA-N -1 1 370.862 2.202 20 0 FEADMM CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195112805 672775848 /nfs/dbraw/zinc/77/58/48/672775848.db2.gz USGJUQFYKPBYJU-UWVGGRQHSA-N -1 1 370.862 2.202 20 0 FEADMM O=S(=O)(Cc1cccnc1Cl)c1nc(Cc2cccs2)n[n-]1 ZINC000195157293 672777115 /nfs/dbraw/zinc/77/71/15/672777115.db2.gz HUEROJLYSSNYCB-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM O=S(=O)(Cc1cccnc1Cl)c1n[n-]c(Cc2cccs2)n1 ZINC000195157293 672777121 /nfs/dbraw/zinc/77/71/21/672777121.db2.gz HUEROJLYSSNYCB-UHFFFAOYSA-N -1 1 354.844 2.479 20 0 FEADMM C[C@@]1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCOC1 ZINC000221240086 672791430 /nfs/dbraw/zinc/79/14/30/672791430.db2.gz OEKAEMPBLPIZIN-LLVKDONJSA-N -1 1 369.668 2.345 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c(OC)c1 ZINC000592384984 672795737 /nfs/dbraw/zinc/79/57/37/672795737.db2.gz GZJDDXDPQLCHDH-UHFFFAOYSA-N -1 1 367.427 2.438 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)CC2CCC(C(=O)OCC)CC2)[n-]1 ZINC000592630982 672820446 /nfs/dbraw/zinc/82/04/46/672820446.db2.gz WIGCFKFSEJNUBK-UHFFFAOYSA-N -1 1 351.403 2.285 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)CC2CCC(C(=O)OCC)CC2)n1 ZINC000592630982 672820448 /nfs/dbraw/zinc/82/04/48/672820448.db2.gz WIGCFKFSEJNUBK-UHFFFAOYSA-N -1 1 351.403 2.285 20 0 FEADMM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2occc2Br)n1 ZINC000592655763 672822974 /nfs/dbraw/zinc/82/29/74/672822974.db2.gz ONQZMZLHRJKVQH-UHFFFAOYSA-N -1 1 371.191 2.228 20 0 FEADMM O=C(c1cccc(Br)c1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000683248308 672827390 /nfs/dbraw/zinc/82/73/90/672827390.db2.gz BZYBIABURPXBDD-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM CC(C)(C)OC(=O)C1(CNC(=O)c2cc(F)ccc2[O-])CCOCC1 ZINC000592833989 672844613 /nfs/dbraw/zinc/84/46/13/672844613.db2.gz MVTFTYBGWYRIMJ-UHFFFAOYSA-N -1 1 353.390 2.400 20 0 FEADMM Cc1nc(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3C)n2)cs1 ZINC000684106556 672905897 /nfs/dbraw/zinc/90/58/97/672905897.db2.gz VOMLBZUDQJBFFF-UHFFFAOYSA-N -1 1 364.452 2.430 20 0 FEADMM O=C([O-])C1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 ZINC000263470579 672933837 /nfs/dbraw/zinc/93/38/37/672933837.db2.gz HPHFHWAQBOPGFR-UHFFFAOYSA-N -1 1 367.345 2.333 20 0 FEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1 ZINC000684536006 672939646 /nfs/dbraw/zinc/93/96/46/672939646.db2.gz IDBHREAAYKRMGM-UHFFFAOYSA-N -1 1 360.435 2.101 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(F)c1 ZINC000593568703 672945981 /nfs/dbraw/zinc/94/59/81/672945981.db2.gz VISXMVWZYRLYQR-JTQLQIEISA-N -1 1 351.346 2.469 20 0 FEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000593651711 672971368 /nfs/dbraw/zinc/97/13/68/672971368.db2.gz SSVFVYXPFBBGKQ-HNNXBMFYSA-N -1 1 373.446 2.136 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccnc(Oc2ccccc2)c1 ZINC000685491759 673013951 /nfs/dbraw/zinc/01/39/51/673013951.db2.gz JWGYTOUPGXGTCY-UHFFFAOYSA-N -1 1 360.395 2.231 20 0 FEADMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000311580305 673027579 /nfs/dbraw/zinc/02/75/79/673027579.db2.gz CPEVOIJGKLCUMY-BDAKNGLRSA-N -1 1 368.322 2.053 20 0 FEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1cccnc1Cl ZINC000322077346 673041438 /nfs/dbraw/zinc/04/14/38/673041438.db2.gz GWMZHSAAQMORCI-UHFFFAOYSA-N -1 1 371.209 2.165 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CN2CCCCC2)cc1C(=O)[O-] ZINC000324831898 673047652 /nfs/dbraw/zinc/04/76/52/673047652.db2.gz CKLPOVUHIGZBNK-AWEZNQCLSA-N -1 1 354.472 2.154 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC000325004974 673048280 /nfs/dbraw/zinc/04/82/80/673048280.db2.gz AOOHMZZZALKOFI-UHFFFAOYSA-N -1 1 352.368 2.354 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c(Br)n1C ZINC000706308789 673063052 /nfs/dbraw/zinc/06/30/52/673063052.db2.gz DWVVDQYZAFDAJX-SNVBAGLBSA-N -1 1 362.293 2.350 20 0 FEADMM CC[C@@H](C[C@H](C)O)NC(=O)c1ccc(I)c([O-])c1 ZINC000716935696 673076117 /nfs/dbraw/zinc/07/61/17/673076117.db2.gz DBNGMQRVMQMOCM-WPRPVWTQSA-N -1 1 363.195 2.276 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CS[C@@H](C)C2)c1F ZINC000594462764 673076466 /nfs/dbraw/zinc/07/64/66/673076466.db2.gz GYTIMPFDQYSQSX-IONNQARKSA-N -1 1 367.851 2.438 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)cs1 ZINC000726519031 673127722 /nfs/dbraw/zinc/12/77/22/673127722.db2.gz MGJGZOMCHSKQRG-UHFFFAOYSA-N -1 1 368.392 2.204 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000384164329 673157327 /nfs/dbraw/zinc/15/73/27/673157327.db2.gz SGOKZOVJPQTGQL-UHFFFAOYSA-N -1 1 368.303 2.457 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)cc1C ZINC000595311340 673221152 /nfs/dbraw/zinc/22/11/52/673221152.db2.gz LZVSIQKHKFWXED-UHFFFAOYSA-N -1 1 371.386 2.261 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)cc1C ZINC000595313015 673221619 /nfs/dbraw/zinc/22/16/19/673221619.db2.gz OYJOXARWBSLTFA-TZMCWYRMSA-N -1 1 359.444 2.104 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)cc1C ZINC000595337490 673227521 /nfs/dbraw/zinc/22/75/21/673227521.db2.gz 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ZINC000730039999 673257933 /nfs/dbraw/zinc/25/79/33/673257933.db2.gz NDNAMHFHTVJLFL-UHFFFAOYSA-N -1 1 365.436 2.433 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000613267548 676120406 /nfs/dbraw/zinc/12/04/06/676120406.db2.gz TZONNAKDOWGZAG-UHFFFAOYSA-N -1 1 358.778 2.192 20 0 FEADMM CN(c1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1)S(C)(=O)=O ZINC000732306508 673362502 /nfs/dbraw/zinc/36/25/02/673362502.db2.gz ZBQUSONUYYRHDI-UHFFFAOYSA-N -1 1 368.842 2.371 20 0 FEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(O)c3F)c(F)cc2N1 ZINC000536611908 673372083 /nfs/dbraw/zinc/37/20/83/673372083.db2.gz AFVLIECLHVGDOE-UHFFFAOYSA-N -1 1 354.334 2.356 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000538051721 673420123 /nfs/dbraw/zinc/42/01/23/673420123.db2.gz KORQDMNMYOGLGS-UHFFFAOYSA-N -1 1 366.370 2.107 20 0 FEADMM O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538224871 673427722 /nfs/dbraw/zinc/42/77/22/673427722.db2.gz NLLXKHXEHDLMMM-CYBMUJFWSA-N -1 1 354.439 2.272 20 0 FEADMM CC(C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)OCc1ccccc1 ZINC000733798948 673438316 /nfs/dbraw/zinc/43/83/16/673438316.db2.gz KWFSZUPEYKZOLB-IRXDYDNUSA-N -1 1 369.483 2.243 20 0 FEADMM Cc1ccc2c(CC(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])coc2c1 ZINC000538605275 673447522 /nfs/dbraw/zinc/44/75/22/673447522.db2.gz JKQHEQGHRPEGCR-UHFFFAOYSA-N -1 1 360.391 2.275 20 0 FEADMM Cc1ccc(O)c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000538881916 673464651 /nfs/dbraw/zinc/46/46/51/673464651.db2.gz BSXIDXRUCVSETH-UHFFFAOYSA-N -1 1 362.407 2.099 20 0 FEADMM C[S@](=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000735081208 673481071 /nfs/dbraw/zinc/48/10/71/673481071.db2.gz RXEXWLFMJXAMDH-KRWDZBQOSA-N -1 1 350.676 2.304 20 0 FEADMM Cc1nc(SCCOc2cccc(S(C)(=O)=O)c2)[n-]c(=O)c1C ZINC000539615389 673498368 /nfs/dbraw/zinc/49/83/68/673498368.db2.gz DSLGANLFIPOPMK-UHFFFAOYSA-N -1 1 354.453 2.374 20 0 FEADMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000921496417 683484956 /nfs/dbraw/zinc/48/49/56/683484956.db2.gz 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20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCCO)c(C)c1 ZINC000542985717 673619600 /nfs/dbraw/zinc/61/96/00/673619600.db2.gz IBGQEVNEEKIZIC-UHFFFAOYSA-N -1 1 351.424 2.313 20 0 FEADMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000599209860 673641576 /nfs/dbraw/zinc/64/15/76/673641576.db2.gz PYZLTWNVMQVCBE-CABCVRRESA-N -1 1 361.435 2.020 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(F)C3)c2)cc1 ZINC000543358466 673642029 /nfs/dbraw/zinc/64/20/29/673642029.db2.gz BGVJJGKSUIIIQA-UHFFFAOYSA-N -1 1 364.398 2.290 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C)c1F ZINC000599246443 673647905 /nfs/dbraw/zinc/64/79/05/673647905.db2.gz FGZLKLAVTJEIQQ-GFCCVEGCSA-N -1 1 365.398 2.091 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)OC)C1CC1 ZINC000599294226 673654749 /nfs/dbraw/zinc/65/47/49/673654749.db2.gz DKWHQKUZZCHJJD-HOTGVXAUSA-N -1 1 361.504 2.233 20 0 FEADMM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000543745522 673667855 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CCOc1cc(C(=O)N2CCC3(CNC(=O)O3)CC2)cc(Cl)c1[O-] ZINC000781851920 681980696 /nfs/dbraw/zinc/98/06/96/681980696.db2.gz WSUPQOLUHRSXBX-UHFFFAOYSA-N -1 1 354.790 2.159 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)[C@H]1CCCOC1 ZINC000914347583 685504983 /nfs/dbraw/zinc/50/49/83/685504983.db2.gz CMTQEMNCYMKARV-ZFWWWQNUSA-N -1 1 361.504 2.090 20 0 FEADMM COc1c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cccc1C(N)=O ZINC000782260994 682022647 /nfs/dbraw/zinc/02/26/47/682022647.db2.gz LDMMIXQSFSFRTA-MDZDMXLPSA-N -1 1 350.371 2.346 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)c2cn(C(C)C)nn2)c1 ZINC000851233025 682039152 /nfs/dbraw/zinc/03/91/52/682039152.db2.gz XBDGRQGZMLDNLW-YYUOZPCZSA-N -1 1 351.428 2.280 20 0 FEADMM CC(C)(CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)N1CCCCC1 ZINC000914794117 685509819 /nfs/dbraw/zinc/50/98/19/685509819.db2.gz QIDOCDVWLJOVIW-UHFFFAOYSA-N -1 1 358.435 2.067 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1noc(C(F)(F)F)n1 ZINC000916399373 685524170 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ZINC000907476451 691495004 /nfs/dbraw/zinc/49/50/04/691495004.db2.gz NFPXOYLGOMWKDE-LBPRGKRZSA-N -1 1 359.411 2.023 20 0 FEADMM CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478704 691496438 /nfs/dbraw/zinc/49/64/38/691496438.db2.gz YFYWYQKKXNXFIC-NWDGAFQWSA-N -1 1 367.862 2.327 20 0 FEADMM O=C(CCCc1ccccc1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479269 691497180 /nfs/dbraw/zinc/49/71/80/691497180.db2.gz ARGZVXCCJJKHTL-ZDUSSCGKSA-N -1 1 351.863 2.493 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CCF)c1)c1c(Cl)ccnc1Cl ZINC000907649012 691532531 /nfs/dbraw/zinc/53/25/31/691532531.db2.gz MFQAOEHMGMYUMS-UHFFFAOYSA-N -1 1 353.206 2.033 20 0 FEADMM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccn(C)n2)C(=O)OC(C)(C)C)c1 ZINC000907661865 691535464 /nfs/dbraw/zinc/53/54/64/691535464.db2.gz STVQYSGMPMBSTH-HNNXBMFYSA-N -1 1 365.455 2.090 20 0 FEADMM O=S(=O)([N-][C@@H](CCO)C1CCCC1)c1ccc(Br)o1 ZINC000907820218 691565448 /nfs/dbraw/zinc/56/54/48/691565448.db2.gz FQZQCEWMWNSDQN-JTQLQIEISA-N -1 1 352.250 2.262 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)n1 ZINC000907860396 691571958 /nfs/dbraw/zinc/57/19/58/691571958.db2.gz QOJLNLYQBQGLOF-UHFFFAOYSA-N -1 1 353.347 2.426 20 0 FEADMM Cc1noc(C2([N-]S(=O)(=O)c3cccc(C)c3Br)CC2)n1 ZINC000907864683 691573438 /nfs/dbraw/zinc/57/34/38/691573438.db2.gz MTDSJRMKONFVGN-UHFFFAOYSA-N -1 1 372.244 2.417 20 0 FEADMM C[C@H]([N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)c1cncs1 ZINC000907931579 691585535 /nfs/dbraw/zinc/58/55/35/691585535.db2.gz BSHGKDMTGVSPBC-SAHAZLINSA-N -1 1 374.513 2.042 20 0 FEADMM C[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000907943665 691587687 /nfs/dbraw/zinc/58/76/87/691587687.db2.gz KOGINUXXMIKGDK-SECBINFHSA-N -1 1 370.240 2.120 20 0 FEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2sccc2C)[n-]c1=O ZINC000908016462 691598732 /nfs/dbraw/zinc/59/87/32/691598732.db2.gz LMUULUKYNJPYSF-JTQLQIEISA-N -1 1 355.441 2.087 20 0 FEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2C)[n-]c1=O ZINC000908016036 691598827 /nfs/dbraw/zinc/59/88/27/691598827.db2.gz HFNFRERRYVKWJT-GFCCVEGCSA-N -1 1 367.402 2.164 20 0 FEADMM O=S(=O)([N-]C1CC(CCO)C1)c1cc(Br)c(F)cc1F ZINC000908055943 691606045 /nfs/dbraw/zinc/60/60/45/691606045.db2.gz SJBGTWWRHDCOCI-UHFFFAOYSA-N -1 1 370.215 2.167 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cc(F)ccc2Br)C1 ZINC000908713473 691717098 /nfs/dbraw/zinc/71/70/98/691717098.db2.gz VQZNFDPSRKVCCO-SNVBAGLBSA-N -1 1 373.222 2.001 20 0 FEADMM CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])c1cccs1 ZINC000908746925 691721718 /nfs/dbraw/zinc/72/17/18/691721718.db2.gz KMEQCHOUCLXTFL-KYEXWDHISA-N -1 1 351.472 2.246 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000908751983 691722982 /nfs/dbraw/zinc/72/29/82/691722982.db2.gz ICXFDGMNXPWQRI-CVEARBPZSA-N -1 1 351.422 2.467 20 0 FEADMM CC(C)CCC[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000908771873 691727561 /nfs/dbraw/zinc/72/75/61/691727561.db2.gz SOOMTXTZXIUNAD-OWCLPIDISA-N -1 1 357.495 2.064 20 0 FEADMM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000909804144 691857544 /nfs/dbraw/zinc/85/75/44/691857544.db2.gz HLVZEXKQBOZCMP-VXNVDRBHSA-N -1 1 352.188 2.261 20 0 FEADMM C[C@@](CCF)(NC(=O)c1cc(Br)cc2nc[nH]c21)C(=O)[O-] ZINC000909972940 691877360 /nfs/dbraw/zinc/87/73/60/691877360.db2.gz UENITHXARPFHGG-ZDUSSCGKSA-N -1 1 358.167 2.258 20 0 FEADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccn1CCN1CCOCC1 ZINC000909986926 691878775 /nfs/dbraw/zinc/87/87/75/691878775.db2.gz CYEZJCMNGGCOCJ-UHFFFAOYSA-N -1 1 351.353 2.056 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)C1 ZINC000909989754 691879176 /nfs/dbraw/zinc/87/91/76/691879176.db2.gz IJQSORREYPZWEN-BXUZGUMPSA-N -1 1 354.353 2.208 20 0 FEADMM Cc1ccc(SC[C@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000910251496 691906339 /nfs/dbraw/zinc/90/63/39/691906339.db2.gz VABHACRUTBEFRS-LSDHHAIUSA-N -1 1 350.484 2.388 20 0 FEADMM Cc1ccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000910378992 691924538 /nfs/dbraw/zinc/92/45/38/691924538.db2.gz JTUCNFDGDBBPTC-ZDUSSCGKSA-N -1 1 369.259 2.170 20 0 FEADMM O=C([O-])[C@@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001465114330 804140880 /nfs/dbraw/zinc/14/08/80/804140880.db2.gz FWSGCFFXUDPPCB-VXGBXAGGSA-N -1 1 351.346 2.090 20 0 FEADMM O=C([O-])[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000780444196 939123077 /nfs/dbraw/zinc/12/30/77/939123077.db2.gz YAFUXEPKDHDYQL-SFHVURJKSA-N -1 1 374.485 2.379 20 0 FEADMM CN(CCNC(=O)N[C@H](C(=O)[O-])c1ccccc1)Cc1ccc(F)cc1 ZINC000780631530 939141753 /nfs/dbraw/zinc/14/17/53/939141753.db2.gz BSEZLBBWUXLKNZ-KRWDZBQOSA-N -1 1 359.401 2.383 20 0 FEADMM C[C@H]1CC[C@@](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)(C(=O)[O-])CC1 ZINC000909949782 939746355 /nfs/dbraw/zinc/74/63/55/939746355.db2.gz LMMDXWOKMSMJHV-OQIWPSSASA-N -1 1 373.497 2.197 20 0 FEADMM COc1ccccc1[C@H](CNC(=O)[C@H](C(=O)[O-])C1CC1)N1CCCCC1 ZINC000663108169 939855833 /nfs/dbraw/zinc/85/58/33/939855833.db2.gz OGPAMEDWIIYWIF-FUHWJXTLSA-N -1 1 360.454 2.449 20 0 FEADMM CCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000005155211 539403208 /nfs/dbraw/zinc/40/32/08/539403208.db2.gz YCHXGIUMEIFSJY-UHFFFAOYSA-N -1 1 361.423 2.294 20 0 FEADMM CO[C@H]1C[C@@H](CNC(=O)c2ccc(I)cc2[O-])C1 ZINC000869500390 684623778 /nfs/dbraw/zinc/62/37/78/684623778.db2.gz DYEFCYMTVFKRAG-WAAGHKOSSA-N -1 1 361.179 2.152 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)n1 ZINC000011443684 539528691 /nfs/dbraw/zinc/52/86/91/539528691.db2.gz DLTSLSCXZQXZJW-MRXNPFEDSA-N -1 1 373.478 2.131 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc3ccccc3s2)co1 ZINC000549714594 674058889 /nfs/dbraw/zinc/05/88/89/674058889.db2.gz JROCLPNFGQEKNU-UHFFFAOYSA-N -1 1 350.421 2.332 20 0 FEADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000016126460 539627348 /nfs/dbraw/zinc/62/73/48/539627348.db2.gz IBMIYDIRBSVGBL-UHFFFAOYSA-N -1 1 361.423 2.196 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)n1 ZINC000022930629 539702909 /nfs/dbraw/zinc/70/29/09/539702909.db2.gz FMNPRWIGLPVKIH-UHFFFAOYSA-N -1 1 374.466 2.155 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc[nH]n3)cc2)c1 ZINC000023141434 539707477 /nfs/dbraw/zinc/70/74/77/539707477.db2.gz XFNLLGGWLQQIMM-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM C[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)n1cncn1 ZINC000024576479 539734832 /nfs/dbraw/zinc/73/48/32/539734832.db2.gz YOWZIARLIRPYEZ-CYBMUJFWSA-N -1 1 371.422 2.279 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1 ZINC000026537624 539788830 /nfs/dbraw/zinc/78/88/30/539788830.db2.gz NTEZESZRGYYFCP-UHFFFAOYSA-N -1 1 365.411 2.003 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000028258623 539828709 /nfs/dbraw/zinc/82/87/09/539828709.db2.gz IHDKQLVLKIODQR-UHFFFAOYSA-N -1 1 352.799 2.442 20 0 FEADMM COc1ccc(NC(=O)CCc2ccccc2O)cc1[N-]S(C)(=O)=O ZINC000029817635 539865256 /nfs/dbraw/zinc/86/52/56/539865256.db2.gz RYWHPLXYEALRBF-UHFFFAOYSA-N -1 1 364.423 2.344 20 0 FEADMM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1cc2ccccc2cc1[O-] ZINC000031719074 539916808 /nfs/dbraw/zinc/91/68/08/539916808.db2.gz WSZOGZAFHZNXNA-UHFFFAOYSA-N -1 1 362.389 2.129 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000031721029 539917250 /nfs/dbraw/zinc/91/72/50/539917250.db2.gz IJEJMNYOSCTQHD-UHFFFAOYSA-N -1 1 368.798 2.011 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1cncn1 ZINC000042793994 540079131 /nfs/dbraw/zinc/07/91/31/540079131.db2.gz IBFMQSGEKXAFRJ-UHFFFAOYSA-N -1 1 372.406 2.329 20 0 FEADMM Cc1cc(=NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)[nH]n1C ZINC000533040916 540196752 /nfs/dbraw/zinc/19/67/52/540196752.db2.gz MKKISHYIXWWSBZ-UHFFFAOYSA-N -1 1 352.398 2.166 20 0 FEADMM O=C(NCCNC(=O)c1cc(Br)ccc1[O-])c1cccs1 ZINC000046202058 540247688 /nfs/dbraw/zinc/24/76/88/540247688.db2.gz WXGJDMYHYBXKDO-UHFFFAOYSA-N -1 1 369.240 2.376 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)c1 ZINC000050535206 540408161 /nfs/dbraw/zinc/40/81/61/540408161.db2.gz BSSRBYDPBLDSMK-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000055159283 540632103 /nfs/dbraw/zinc/63/21/03/540632103.db2.gz CICYNKNOLADBKY-VIFPVBQESA-N -1 1 355.350 2.322 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000056123621 540704852 /nfs/dbraw/zinc/70/48/52/540704852.db2.gz YKGWTXVCDOZJBG-UHFFFAOYSA-N -1 1 366.396 2.481 20 0 FEADMM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000057103573 540768608 /nfs/dbraw/zinc/76/86/08/540768608.db2.gz NWZCIBNUEJXERO-UHFFFAOYSA-N -1 1 368.405 2.292 20 0 FEADMM COCCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000057126025 540769744 /nfs/dbraw/zinc/76/97/44/540769744.db2.gz WNDNZHBBCMILMW-UHFFFAOYSA-N -1 1 351.380 2.211 20 0 FEADMM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000359956790 223139243 /nfs/dbraw/zinc/13/92/43/223139243.db2.gz FLTZSKJNFCHOHP-YPMHNXCESA-N -1 1 361.833 2.468 20 0 FEADMM Cc1nn(-c2ccc(C(=O)Nc3nnn[n-]3)cc2)c(C)c1Br ZINC000060380396 541109246 /nfs/dbraw/zinc/10/92/46/541109246.db2.gz WNCGWHIJPNSEJL-UHFFFAOYSA-N -1 1 362.191 2.017 20 0 FEADMM Cc1nn(-c2ccc(C(=O)Nc3nn[n-]n3)cc2)c(C)c1Br ZINC000060380396 541109250 /nfs/dbraw/zinc/10/92/50/541109250.db2.gz WNCGWHIJPNSEJL-UHFFFAOYSA-N -1 1 362.191 2.017 20 0 FEADMM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1nnn[n-]1 ZINC000060380434 541109377 /nfs/dbraw/zinc/10/93/77/541109377.db2.gz SJOMEVXGDUUMLS-UHFFFAOYSA-N -1 1 362.349 2.379 20 0 FEADMM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1nn[n-]n1 ZINC000060380434 541109379 /nfs/dbraw/zinc/10/93/79/541109379.db2.gz SJOMEVXGDUUMLS-UHFFFAOYSA-N -1 1 362.349 2.379 20 0 FEADMM CCCN1CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000061205614 541127477 /nfs/dbraw/zinc/12/74/77/541127477.db2.gz IWWWXOLZWZOCJM-UHFFFAOYSA-N -1 1 360.483 2.003 20 0 FEADMM Cc1csc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000063451208 541169217 /nfs/dbraw/zinc/16/92/17/541169217.db2.gz LNRWTJMZEMJRTM-UHFFFAOYSA-N -1 1 355.423 2.477 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cn1 ZINC000066583422 541341958 /nfs/dbraw/zinc/34/19/58/541341958.db2.gz RRPRFTHHNKYBMZ-OAHLLOKOSA-N -1 1 361.427 2.432 20 0 FEADMM CCn1c(CNC(=O)[C@H](C)NC(=O)CC2CCCCC2)n[n-]c1=S ZINC000066636980 541351314 /nfs/dbraw/zinc/35/13/14/541351314.db2.gz IWYFALSHDLOYGI-NSHDSACASA-N -1 1 353.492 2.052 20 0 FEADMM CCn1c(CNC(=O)c2sc(-c3ncccn3)nc2C)n[n-]c1=S ZINC000066636015 541351401 /nfs/dbraw/zinc/35/14/01/541351401.db2.gz GVRDTCUTIGGLLZ-UHFFFAOYSA-N -1 1 361.456 2.113 20 0 FEADMM CCOc1ccc2c(c1)C[C@H](C(=O)NCc1n[n-]c(=S)n1CC)CO2 ZINC000066637091 541351504 /nfs/dbraw/zinc/35/15/04/541351504.db2.gz SYQCSWHKJVUOEO-LBPRGKRZSA-N -1 1 362.455 2.227 20 0 FEADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638413 541352214 /nfs/dbraw/zinc/35/22/14/541352214.db2.gz DKWKHFQBNFYIHL-UHFFFAOYSA-N -1 1 371.466 2.409 20 0 FEADMM CC(=O)N1CCc2cc(C(=O)NCc3n[n-]c(=S)n3C(C)C)ccc21 ZINC000066639777 541352577 /nfs/dbraw/zinc/35/25/77/541352577.db2.gz BUCDBBCIXPOXHG-UHFFFAOYSA-N -1 1 359.455 2.361 20 0 FEADMM Cn1c(CCNC(=O)c2ccc(Br)c(F)c2)n[n-]c1=S ZINC000067050869 541411002 /nfs/dbraw/zinc/41/10/02/541411002.db2.gz QFBMZMIQTCAXGZ-UHFFFAOYSA-N -1 1 359.224 2.352 20 0 FEADMM CC(=O)NC(=Cc1ccccc1)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070513 541413261 /nfs/dbraw/zinc/41/32/61/541413261.db2.gz UTEGFNVACHGIFC-ZROIWOOFSA-N -1 1 357.439 2.069 20 0 FEADMM Cc1ccc(N2CC[C@H](C(=O)NCc3n[n-]c(=S)n3C3CC3)C2=O)cc1 ZINC000067070726 541413406 /nfs/dbraw/zinc/41/34/06/541413406.db2.gz SWKHEITYVMWUGP-CQSZACIVSA-N -1 1 371.466 2.253 20 0 FEADMM Cc1cc(C)nc(SCC(=O)NCCc2n[n-]c(=S)n2C(C)C)n1 ZINC000067073546 541413698 /nfs/dbraw/zinc/41/36/98/541413698.db2.gz NDVYNROEQKBUIQ-UHFFFAOYSA-N -1 1 366.516 2.379 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1 ZINC000067659617 541497038 /nfs/dbraw/zinc/49/70/38/541497038.db2.gz DVZFVPYQIVFBSC-UHFFFAOYSA-N -1 1 354.313 2.485 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067813366 541516911 /nfs/dbraw/zinc/51/69/11/541516911.db2.gz OWFLHRNORSRDAK-MSOLQXFVSA-N -1 1 360.417 2.355 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000068099283 541548501 /nfs/dbraw/zinc/54/85/01/541548501.db2.gz CACGNOZWNKBSJX-UHFFFAOYSA-N -1 1 360.377 2.198 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCc1cccc(F)c1 ZINC000068176820 541558605 /nfs/dbraw/zinc/55/86/05/541558605.db2.gz SKQZEMVJIHHQIA-UHFFFAOYSA-N -1 1 356.401 2.070 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1C ZINC000068216465 541564016 /nfs/dbraw/zinc/56/40/16/541564016.db2.gz RQAWZQAVDMOXQA-UHFFFAOYSA-N -1 1 360.391 2.078 20 0 FEADMM CCCCN(CCOC)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000068458373 541593999 /nfs/dbraw/zinc/59/39/99/541593999.db2.gz KCDQVSLRCLVGKO-UHFFFAOYSA-N -1 1 372.469 2.348 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCOCC1 ZINC000069603143 541698895 /nfs/dbraw/zinc/69/88/95/541698895.db2.gz RCFLBSXSUUCBJO-UHFFFAOYSA-N -1 1 373.327 2.444 20 0 FEADMM CCNC(=O)c1cccc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000071959866 541777281 /nfs/dbraw/zinc/77/72/81/541777281.db2.gz WIZABMMHFPNBPC-UHFFFAOYSA-N -1 1 364.405 2.324 20 0 FEADMM CCNC(=O)c1cccc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000071959866 541777282 /nfs/dbraw/zinc/77/72/82/541777282.db2.gz WIZABMMHFPNBPC-UHFFFAOYSA-N -1 1 364.405 2.324 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)OC)cc2Cl)cn1 ZINC000550862458 674114881 /nfs/dbraw/zinc/11/48/81/674114881.db2.gz HRIBDFAOKXONBF-UHFFFAOYSA-N -1 1 373.818 2.152 20 0 FEADMM CC(C)c1cc(C(=O)NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)on1 ZINC000072805519 541869259 /nfs/dbraw/zinc/86/92/59/541869259.db2.gz NRQWNVHUQCLGLY-UHFFFAOYSA-N -1 1 359.390 2.155 20 0 FEADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000072851185 541880262 /nfs/dbraw/zinc/88/02/62/541880262.db2.gz KUADMHMEEFPCHU-UHFFFAOYSA-N -1 1 368.480 2.260 20 0 FEADMM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccccc1OC ZINC000072994243 541906523 /nfs/dbraw/zinc/90/65/23/541906523.db2.gz VJSDQVAOPSKTIN-IAQYHMDHSA-N -1 1 353.444 2.442 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)Nc1cccc(F)c1 ZINC000078555419 542467214 /nfs/dbraw/zinc/46/72/14/542467214.db2.gz SVMOOIGUEVUXDS-UHFFFAOYSA-N -1 1 362.304 2.160 20 0 FEADMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1 ZINC000078622309 542472844 /nfs/dbraw/zinc/47/28/44/542472844.db2.gz DPCMGNOQUPVRLQ-CYBMUJFWSA-N -1 1 360.487 2.441 20 0 FEADMM COc1ccc(OC)c(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000054568254 221054190 /nfs/dbraw/zinc/05/41/90/221054190.db2.gz QVMRUSXIFFKACL-UHFFFAOYSA-N -1 1 363.439 2.389 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000071848803 221382942 /nfs/dbraw/zinc/38/29/42/221382942.db2.gz CCXRGPWJRTUQKX-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CCn1c(C2CCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000802023428 674158946 /nfs/dbraw/zinc/15/89/46/674158946.db2.gz MJJTUGKZKSCXRQ-UHFFFAOYSA-N -1 1 359.396 2.460 20 0 FEADMM CCC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1 ZINC000084043813 542706740 /nfs/dbraw/zinc/70/67/40/542706740.db2.gz YOQBUNFCDSEMNE-UHFFFAOYSA-N -1 1 364.464 2.056 20 0 FEADMM O=c1[n-]c(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n[nH]1 ZINC000091617808 542816014 /nfs/dbraw/zinc/81/60/14/542816014.db2.gz ANIRXVYATBPBOS-LLVKDONJSA-N -1 1 360.805 2.181 20 0 FEADMM CC(C)(C)OC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000093098167 542908450 /nfs/dbraw/zinc/90/84/50/542908450.db2.gz RHAVEHYVSRWCTO-CQSZACIVSA-N -1 1 357.414 2.175 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)O)c2)c1 ZINC000098075646 543019976 /nfs/dbraw/zinc/01/99/76/543019976.db2.gz FPWYYFZBPGXUHR-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM Cn1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cn1 ZINC000102380932 543067367 /nfs/dbraw/zinc/06/73/67/543067367.db2.gz MQVFSXNAXHZFEI-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000104930905 543151032 /nfs/dbraw/zinc/15/10/32/543151032.db2.gz UOUCSZVEYAPZGY-SNVBAGLBSA-N -1 1 357.740 2.494 20 0 FEADMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000105390910 543172973 /nfs/dbraw/zinc/17/29/73/543172973.db2.gz XJADZFCOUTYMRH-UHFFFAOYSA-N -1 1 370.377 2.281 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2nnc(CC(C)C)s2)c(=O)[n-]1 ZINC000105441416 543173857 /nfs/dbraw/zinc/17/38/57/543173857.db2.gz XJOAXYDHQGZNFX-UHFFFAOYSA-N -1 1 367.500 2.422 20 0 FEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000106007089 543184411 /nfs/dbraw/zinc/18/44/11/543184411.db2.gz VVTUJBFLYKHHNP-NSHDSACASA-N -1 1 371.422 2.095 20 0 FEADMM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cncc([O-])c1 ZINC000109929213 543343953 /nfs/dbraw/zinc/34/39/53/543343953.db2.gz MOTQQRFVIMSXDH-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM O=C(CCCc1ccccc1)N1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111590378 543407834 /nfs/dbraw/zinc/40/78/34/543407834.db2.gz HLAJTINBMYVYRO-UHFFFAOYSA-N -1 1 353.422 2.095 20 0 FEADMM CCN1CCCC[C@@H]1CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000111509832 543405166 /nfs/dbraw/zinc/40/51/66/543405166.db2.gz CPCVOCJLMYITMT-GFCCVEGCSA-N -1 1 363.487 2.000 20 0 FEADMM Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Br)cc1[O-])CC2 ZINC000552002646 674180979 /nfs/dbraw/zinc/18/09/79/674180979.db2.gz XXGYGTCWAPBHOW-QMMMGPOBSA-N -1 1 368.256 2.481 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCc2ccccc2CC1 ZINC000116217301 543605201 /nfs/dbraw/zinc/60/52/01/543605201.db2.gz NPZOLGWBTRNGAW-UHFFFAOYSA-N -1 1 374.444 2.310 20 0 FEADMM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000116356495 543607129 /nfs/dbraw/zinc/60/71/29/543607129.db2.gz ITVVVPDYNWKPIZ-WCQYABFASA-N -1 1 360.426 2.327 20 0 FEADMM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000116356489 543607417 /nfs/dbraw/zinc/60/74/17/543607417.db2.gz ITVVVPDYNWKPIZ-AAEUAGOBSA-N -1 1 360.426 2.327 20 0 FEADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000117740474 543639229 /nfs/dbraw/zinc/63/92/29/543639229.db2.gz GSJRREIPDTVHQM-UHFFFAOYSA-N -1 1 374.871 2.190 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000118275700 543649591 /nfs/dbraw/zinc/64/95/91/543649591.db2.gz KVYUMNFFCBSDNZ-KUHUBIRLSA-N -1 1 374.485 2.139 20 0 FEADMM C[C@H](O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000118719268 543657328 /nfs/dbraw/zinc/65/73/28/543657328.db2.gz NYVHTMZJDNBGDV-LBPRGKRZSA-N -1 1 366.414 2.127 20 0 FEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)n1 ZINC000118747552 543657799 /nfs/dbraw/zinc/65/77/99/543657799.db2.gz ZYLCAAHRKLCBPO-UHFFFAOYSA-N -1 1 365.342 2.266 20 0 FEADMM CCc1noc(CC)c1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000122785999 543723414 /nfs/dbraw/zinc/72/34/14/543723414.db2.gz AIZNLCKHNAFBTI-UHFFFAOYSA-N -1 1 364.471 2.162 20 0 FEADMM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1c[nH]nc1C ZINC000123585563 543770646 /nfs/dbraw/zinc/77/06/46/543770646.db2.gz YBKUMBNAPKFXNH-UHFFFAOYSA-N -1 1 374.216 2.068 20 0 FEADMM CC(=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccccc1OC(F)F ZINC000124331226 543815136 /nfs/dbraw/zinc/81/51/36/543815136.db2.gz WUQFSLHBSNRQRU-HIJJYWJESA-N -1 1 351.357 2.467 20 0 FEADMM CC(C)COc1ncc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1Cl ZINC000124436064 543821699 /nfs/dbraw/zinc/82/16/99/543821699.db2.gz IDZLYGNJEGQDHJ-SNVBAGLBSA-N -1 1 352.826 2.159 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nn[n-]n1 ZINC000124490307 543825709 /nfs/dbraw/zinc/82/57/09/543825709.db2.gz PDCYSKMAIOHTFI-JTQLQIEISA-N -1 1 353.386 2.003 20 0 FEADMM C[C@@H](CN(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1nn[n-]n1 ZINC000124518384 543827137 /nfs/dbraw/zinc/82/71/37/543827137.db2.gz VZYBUCRLXSNNEM-NSHDSACASA-N -1 1 358.377 2.189 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1Br)c1nn[n-]n1 ZINC000124688997 543837382 /nfs/dbraw/zinc/83/73/82/543837382.db2.gz AJNKOIPNGBFGNE-ZETCQYMHSA-N -1 1 358.627 2.491 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000125790945 543901888 /nfs/dbraw/zinc/90/18/88/543901888.db2.gz XVEGSTFDRXCAMD-UHFFFAOYSA-N -1 1 372.454 2.485 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000125927533 543909309 /nfs/dbraw/zinc/90/93/09/543909309.db2.gz YRORLZNELLEEDU-KRWDZBQOSA-N -1 1 364.449 2.273 20 0 FEADMM CCc1nc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1 ZINC000125754810 543899444 /nfs/dbraw/zinc/89/94/44/543899444.db2.gz CEAHZMYXMPHRHN-UHFFFAOYSA-N -1 1 371.422 2.420 20 0 FEADMM CCOC(=O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000127325406 543986508 /nfs/dbraw/zinc/98/65/08/543986508.db2.gz NJQFWGUUAXPEKH-UHFFFAOYSA-N -1 1 370.652 2.085 20 0 FEADMM Cc1cccc(N2N=C(C(=O)Nc3n[n-]c(C(F)(F)F)n3)CCC2=O)c1 ZINC000128132881 544034387 /nfs/dbraw/zinc/03/43/87/544034387.db2.gz XUIATIORVBXZCK-UHFFFAOYSA-N -1 1 366.303 2.253 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc[nH]n3)ccc2C)c1 ZINC000128177307 544036846 /nfs/dbraw/zinc/03/68/46/544036846.db2.gz OICAYEJVTSLWSA-UHFFFAOYSA-N -1 1 371.422 2.475 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3ccc(OC)c(O)c3)CC2)c1=N ZINC000128249113 544041222 /nfs/dbraw/zinc/04/12/22/544041222.db2.gz ZTVLUAFCSLUHON-UHFFFAOYSA-N -1 1 374.441 2.024 20 0 FEADMM C[C@@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000129507250 544116165 /nfs/dbraw/zinc/11/61/65/544116165.db2.gz QGJBSJWNPXAFRK-PWSUYJOCSA-N -1 1 364.247 2.472 20 0 FEADMM O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129541539 544117175 /nfs/dbraw/zinc/11/71/75/544117175.db2.gz BDJSLPYDHXSJIQ-AWEZNQCLSA-N -1 1 365.397 2.147 20 0 FEADMM Cc1ccsc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130533882 544154473 /nfs/dbraw/zinc/15/44/73/544154473.db2.gz GUUWGNGNOGWHFP-UHFFFAOYSA-N -1 1 352.437 2.455 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)co1 ZINC000131186546 544179456 /nfs/dbraw/zinc/17/94/56/544179456.db2.gz ZGQDKZJRKSAIRI-UHFFFAOYSA-N -1 1 366.424 2.200 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C)CO ZINC000097203309 222167395 /nfs/dbraw/zinc/16/73/95/222167395.db2.gz LPKJXAKWFXCILW-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)NCc1ccco1 ZINC000133317963 544264620 /nfs/dbraw/zinc/26/46/20/544264620.db2.gz FBLBXFOAEWSMNI-SECBINFHSA-N -1 1 367.199 2.182 20 0 FEADMM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)NCC1CCCC1 ZINC000135657090 544358209 /nfs/dbraw/zinc/35/82/09/544358209.db2.gz NKXRRNJQUJXOIU-UHFFFAOYSA-N -1 1 360.426 2.328 20 0 FEADMM Cc1ccc(N2CCCN(C(=O)c3c([O-])cnc4ccccc43)CC2)nn1 ZINC000136764519 544378677 /nfs/dbraw/zinc/37/86/77/544378677.db2.gz QCTUWTYFILATSS-UHFFFAOYSA-N -1 1 363.421 2.391 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)co1 ZINC000152644077 544677246 /nfs/dbraw/zinc/67/72/46/544677246.db2.gz BPLDQSYVQCARNR-AAEUAGOBSA-N -1 1 366.414 2.345 20 0 FEADMM CC[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1ccc(F)cc1F ZINC000152741919 544690485 /nfs/dbraw/zinc/69/04/85/544690485.db2.gz DTWINUNYCAPEPL-ZDUSSCGKSA-N -1 1 358.366 2.347 20 0 FEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2c(CC)cccc2CC)n[n-]1 ZINC000153161460 544741202 /nfs/dbraw/zinc/74/12/02/544741202.db2.gz SBAOUPFSPNFYDA-LLVKDONJSA-N -1 1 364.471 2.293 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)co1 ZINC000153593659 544796359 /nfs/dbraw/zinc/79/63/59/544796359.db2.gz CMQFMCDGDOSYBC-CJNGLKHVSA-N -1 1 362.451 2.454 20 0 FEADMM CN1CCN(Cc2cccc([N-]S(=O)(=O)c3ccccc3F)c2)CC1 ZINC000153946402 544843883 /nfs/dbraw/zinc/84/38/83/544843883.db2.gz KAHLRMQIJDUPJQ-UHFFFAOYSA-N -1 1 363.458 2.374 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)CC(F)F)co1 ZINC000154212804 544876638 /nfs/dbraw/zinc/87/66/38/544876638.db2.gz JOPYRKBETUZUAN-UHFFFAOYSA-N -1 1 358.366 2.095 20 0 FEADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1(C)C ZINC000154828024 544954408 /nfs/dbraw/zinc/95/44/08/544954408.db2.gz SIAHHSMXOZFMQO-UONOGXRCSA-N -1 1 372.487 2.244 20 0 FEADMM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000553397980 674257781 /nfs/dbraw/zinc/25/77/81/674257781.db2.gz GBNPLHSHYBAIIA-SNVBAGLBSA-N -1 1 368.842 2.101 20 0 FEADMM Cn1c(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)nnc1C1CC1 ZINC000553521003 674267689 /nfs/dbraw/zinc/26/76/89/674267689.db2.gz UOEKOPJKMSLSAY-UHFFFAOYSA-N -1 1 362.789 2.103 20 0 FEADMM CNC(=O)c1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000179462445 327644512 /nfs/dbraw/zinc/64/45/12/327644512.db2.gz BFNYLBPIJBMQCC-UHFFFAOYSA-N -1 1 363.211 2.444 20 0 FEADMM Cc1nc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(C)s1 ZINC000181070489 327714862 /nfs/dbraw/zinc/71/48/62/327714862.db2.gz HGELOQQOQUHVSS-UHFFFAOYSA-N -1 1 357.432 2.452 20 0 FEADMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000182400082 327773684 /nfs/dbraw/zinc/77/36/84/327773684.db2.gz XTRLBJLLSWHVRR-UHFFFAOYSA-N -1 1 374.677 2.196 20 0 FEADMM Cc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccco2)cc1C(=O)[O-] ZINC000185052316 327896888 /nfs/dbraw/zinc/89/68/88/327896888.db2.gz OAMYUMBYTNWGMQ-UHFFFAOYSA-N -1 1 366.439 2.039 20 0 FEADMM O=S(=O)([N-]C1(CO)CCC1)c1c(Cl)cc(F)cc1Br ZINC000186259291 327954029 /nfs/dbraw/zinc/95/40/29/327954029.db2.gz SIOFLYDDTKOUJE-UHFFFAOYSA-N -1 1 372.643 2.435 20 0 FEADMM CCOc1cc(C(=O)N2CCC[C@H](CNC(C)=O)C2)cc(Cl)c1[O-] ZINC000186714542 327978013 /nfs/dbraw/zinc/97/80/13/327978013.db2.gz XXRYZLKJXMBJPO-GFCCVEGCSA-N -1 1 354.834 2.433 20 0 FEADMM CCCc1noc2nc(C3CC3)cc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c12 ZINC000187269995 328012207 /nfs/dbraw/zinc/01/22/07/328012207.db2.gz QRWAGHHJTWGPNU-SNVBAGLBSA-N -1 1 369.429 2.442 20 0 FEADMM C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187270518 328012232 /nfs/dbraw/zinc/01/22/32/328012232.db2.gz YOZXCCGEKKSRIO-RXMQYKEDSA-N -1 1 363.060 2.415 20 0 FEADMM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000188125514 328067936 /nfs/dbraw/zinc/06/79/36/328067936.db2.gz USOORYNXEWUFFV-WDEREUQCSA-N -1 1 370.215 2.165 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)co1 ZINC000190021017 328182973 /nfs/dbraw/zinc/18/29/73/328182973.db2.gz MZOYYOWEPUMTKF-UHFFFAOYSA-N -1 1 370.377 2.271 20 0 FEADMM CNC(=O)c1sc2[n-]c(COCC(F)(F)C(F)F)nc(=O)c2c1C ZINC000190410098 328206157 /nfs/dbraw/zinc/20/61/57/328206157.db2.gz OYUDPFYPKNNTES-UHFFFAOYSA-N -1 1 367.324 2.070 20 0 FEADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1(=O)=O ZINC000192297182 328311900 /nfs/dbraw/zinc/31/19/00/328311900.db2.gz FBWQYCRPRIQMQF-SECBINFHSA-N -1 1 351.346 2.060 20 0 FEADMM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193708327 328390747 /nfs/dbraw/zinc/39/07/47/328390747.db2.gz DYVMAPKYZRVATF-UHFFFAOYSA-N -1 1 370.390 2.497 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000194800942 328440882 /nfs/dbraw/zinc/44/08/82/328440882.db2.gz KYLFYJBQUPBAII-UHFFFAOYSA-N -1 1 372.406 2.239 20 0 FEADMM O=C(C[C@@H]1C=CCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021899127 324397802 /nfs/dbraw/zinc/39/78/02/324397802.db2.gz DPFMQXIHFZYLNP-CYBMUJFWSA-N -1 1 350.440 2.472 20 0 FEADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000046071206 324594987 /nfs/dbraw/zinc/59/49/87/324594987.db2.gz UIWBGETUSZSUHN-UHFFFAOYSA-N -1 1 374.422 2.252 20 0 FEADMM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1sccc1Br ZINC000049060942 324678075 /nfs/dbraw/zinc/67/80/75/324678075.db2.gz IUIQFTBAWWSCBK-NEPJUHHUSA-N -1 1 374.281 2.447 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000055620279 324782612 /nfs/dbraw/zinc/78/26/12/324782612.db2.gz NPRDLNRCRVEZCA-UHFFFAOYSA-N -1 1 360.435 2.268 20 0 FEADMM Cc1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1C(=O)NC(C)C ZINC000076937462 324970842 /nfs/dbraw/zinc/97/08/42/324970842.db2.gz LCVJHPSQKUIBCD-OAHLLOKOSA-N -1 1 354.472 2.444 20 0 FEADMM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000553894660 674292928 /nfs/dbraw/zinc/29/29/28/674292928.db2.gz GDVOTQYTVRTVEK-MRVPVSSYSA-N -1 1 372.231 2.270 20 0 FEADMM CCNC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000078776778 325061474 /nfs/dbraw/zinc/06/14/74/325061474.db2.gz YNEVNNYVBBCOGP-UHFFFAOYSA-N -1 1 356.426 2.378 20 0 FEADMM COc1ccc(OC)c(CCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000080590005 325136690 /nfs/dbraw/zinc/13/66/90/325136690.db2.gz BXDONJMRFBZXEX-UHFFFAOYSA-N -1 1 373.453 2.366 20 0 FEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000086170455 325261800 /nfs/dbraw/zinc/26/18/00/325261800.db2.gz ASJLLRCVNYEKIQ-NSHDSACASA-N -1 1 364.471 2.466 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSCC(F)(F)F ZINC000091160916 325375931 /nfs/dbraw/zinc/37/59/31/325375931.db2.gz XRYDBRHQDXHIHK-UHFFFAOYSA-N -1 1 360.354 2.431 20 0 FEADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000092255214 325407776 /nfs/dbraw/zinc/40/77/76/325407776.db2.gz VXASZYAMKWRZRP-NSHDSACASA-N -1 1 351.204 2.261 20 0 FEADMM NC(=O)C1CCN(c2ccccc2NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000094075695 325452987 /nfs/dbraw/zinc/45/29/87/325452987.db2.gz IEIHLOBPCYTQTO-UHFFFAOYSA-N -1 1 357.385 2.485 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)Cc1ccccc1F ZINC000104147990 325533991 /nfs/dbraw/zinc/53/39/91/325533991.db2.gz RSQYURANWSRSDG-NSHDSACASA-N -1 1 356.401 2.068 20 0 FEADMM Cc1ccccc1C1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000104885197 325549882 /nfs/dbraw/zinc/54/98/82/325549882.db2.gz ZNVPQBBSHQGFRC-UHFFFAOYSA-N -1 1 364.449 2.338 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000114395871 325888824 /nfs/dbraw/zinc/88/88/24/325888824.db2.gz GSUWHVPVVFFFEV-UHFFFAOYSA-N -1 1 371.422 2.404 20 0 FEADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000116159442 325996308 /nfs/dbraw/zinc/99/63/08/325996308.db2.gz VPUXQZLTNNPXRP-LBPRGKRZSA-N -1 1 360.435 2.481 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000116844806 326038678 /nfs/dbraw/zinc/03/86/78/326038678.db2.gz XBMBRAKWUFTGLI-UHFFFAOYSA-N -1 1 358.370 2.080 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC(Oc3ccc(F)cc3)CC1)c2=O ZINC000119258339 326142370 /nfs/dbraw/zinc/14/23/70/326142370.db2.gz MWAAXMCCVYUHJO-UHFFFAOYSA-N -1 1 370.384 2.497 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1sccc1Br)Cn1cccn1 ZINC000119470571 326166568 /nfs/dbraw/zinc/16/65/68/326166568.db2.gz HFDMNFFKBWUZKB-SECBINFHSA-N -1 1 364.290 2.322 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCc1cc(F)c(F)c(F)c1)c2=O ZINC000119499030 326168958 /nfs/dbraw/zinc/16/89/58/326168958.db2.gz KWAXHAVQZXTOGP-UHFFFAOYSA-N -1 1 350.300 2.064 20 0 FEADMM Cn1ccnc1-c1cc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1 ZINC000119679190 326187081 /nfs/dbraw/zinc/18/70/81/326187081.db2.gz WCSCBKGVBPHFCL-UHFFFAOYSA-N -1 1 374.445 2.396 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)O)cc2)c1 ZINC000120636528 326275181 /nfs/dbraw/zinc/27/51/81/326275181.db2.gz SVKCZFBHBHXVCV-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1C ZINC000121359282 326332678 /nfs/dbraw/zinc/33/26/78/326332678.db2.gz JWCIZCDIZNMYQW-UHFFFAOYSA-N -1 1 365.430 2.475 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)o1 ZINC000122891027 326412814 /nfs/dbraw/zinc/41/28/14/326412814.db2.gz YUTMATPRPPQJMU-UHFFFAOYSA-N -1 1 356.425 2.269 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCCc2ccccc2)co1 ZINC000129486319 326541317 /nfs/dbraw/zinc/54/13/17/326541317.db2.gz OOEUPTJQPFDDNM-UHFFFAOYSA-N -1 1 350.440 2.331 20 0 FEADMM NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000131298229 326572153 /nfs/dbraw/zinc/57/21/53/326572153.db2.gz VKFKAQZVEZRKKJ-JTQLQIEISA-N -1 1 355.232 2.272 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NCc1ccccc1 ZINC000131318638 326572601 /nfs/dbraw/zinc/57/26/01/326572601.db2.gz QEQUDSIIAVNIMU-NSHDSACASA-N -1 1 370.833 2.462 20 0 FEADMM CCN(CCc1nccs1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000131685396 326579717 /nfs/dbraw/zinc/57/97/17/326579717.db2.gz PEVLWRFVUGYOKL-UHFFFAOYSA-N -1 1 366.512 2.281 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@@H]1CO)c1sccc1Br ZINC000134041496 326618842 /nfs/dbraw/zinc/61/88/42/326618842.db2.gz 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/nfs/dbraw/zinc/65/10/06/545651006.db2.gz PIDFLPJXBBWBHN-UHFFFAOYSA-N -1 1 350.400 2.153 20 0 FEADMM CC[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)Oc1ccccc1Cl ZINC000477370614 561143360 /nfs/dbraw/zinc/14/33/60/561143360.db2.gz BNOMQSLBODRWEW-VIFPVBQESA-N -1 1 367.789 2.137 20 0 FEADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cn1 ZINC000156960686 545683405 /nfs/dbraw/zinc/68/34/05/545683405.db2.gz PLXHDCVLEVAXJO-UHFFFAOYSA-N -1 1 352.391 2.289 20 0 FEADMM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1c(F)c(F)c(F)c(F)c1F ZINC000157255181 545720314 /nfs/dbraw/zinc/72/03/14/545720314.db2.gz AECFJKBWMGGRRE-UHFFFAOYSA-N -1 1 370.343 2.287 20 0 FEADMM Cc1ccncc1CN(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000477908138 561156178 /nfs/dbraw/zinc/15/61/78/561156178.db2.gz OOTXJQWGGUQFMX-UHFFFAOYSA-N -1 1 363.421 2.457 20 0 FEADMM O=S(=O)([N-]CC1(O)CCCC1)c1cc(Br)c(F)cc1F ZINC000158342806 545849891 /nfs/dbraw/zinc/84/98/91/545849891.db2.gz SZIUAAXTAIOGPX-UHFFFAOYSA-N -1 1 370.215 2.311 20 0 FEADMM Cc1nc(COc2ccccc2C(=O)N(C)C[C@H](C)c2nn[n-]n2)cs1 ZINC000478599409 561170592 /nfs/dbraw/zinc/17/05/92/561170592.db2.gz GQZFLMWIEIBJFX-NSHDSACASA-N -1 1 372.454 2.419 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F)c1nn[n-]n1 ZINC000478601255 561170832 /nfs/dbraw/zinc/17/08/32/561170832.db2.gz VONZFFNNJHSQJR-USWWRNFRSA-N -1 1 351.357 2.167 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000161455833 546130936 /nfs/dbraw/zinc/13/09/36/546130936.db2.gz MKBSSQVYCCYLNX-UHFFFAOYSA-N -1 1 356.473 2.458 20 0 FEADMM CC[C@H](C)n1ncc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000479074838 561180990 /nfs/dbraw/zinc/18/09/90/561180990.db2.gz BOBFDVPVULHIMR-JTQLQIEISA-N -1 1 356.430 2.458 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)[N-][C@](C)(COC)C(F)(F)F)cc12 ZINC000479155328 561183072 /nfs/dbraw/zinc/18/30/72/561183072.db2.gz MNAICZMWEYQBRC-GFCCVEGCSA-N -1 1 367.349 2.031 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](OCC)C23CCCC3)o1 ZINC000479207159 561184627 /nfs/dbraw/zinc/18/46/27/561184627.db2.gz RBHCHHQGNQSPQX-KGLIPLIRSA-N -1 1 371.455 2.472 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccc(OC)c2)o1 ZINC000479221118 561185167 /nfs/dbraw/zinc/18/51/67/561185167.db2.gz FSIVXZYEKPSLIJ-GFCCVEGCSA-N -1 1 367.423 2.374 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1)OCO2 ZINC000479253265 561185879 /nfs/dbraw/zinc/18/58/79/561185879.db2.gz KAJIKJVDYZWBFW-JOCHJYFZSA-N -1 1 353.421 2.262 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(-n3ccnn3)c1)OCO2 ZINC000479263963 561186105 /nfs/dbraw/zinc/18/61/05/561186105.db2.gz AOPMROLQQSWTEZ-UHFFFAOYSA-N -1 1 358.379 2.105 20 0 FEADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc4c(cc3C)OCO4)ccc21 ZINC000479278640 561186502 /nfs/dbraw/zinc/18/65/02/561186502.db2.gz JVAHVBGBGXPOLW-UHFFFAOYSA-N -1 1 374.418 2.434 20 0 FEADMM O=C(NCc1cnc[nH]1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000479592914 561192767 /nfs/dbraw/zinc/19/27/67/561192767.db2.gz PJFUQDVJMGTOQP-UHFFFAOYSA-N -1 1 362.436 2.202 20 0 FEADMM COc1cc(NC(=O)C(C)(C)C2CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000479671610 561194606 /nfs/dbraw/zinc/19/46/06/561194606.db2.gz AJMWMWTWIDBMKV-UHFFFAOYSA-N -1 1 370.471 2.458 20 0 FEADMM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176212632 546420096 /nfs/dbraw/zinc/42/00/96/546420096.db2.gz UKKLVSLSAOTIJC-NSHDSACASA-N -1 1 359.253 2.493 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)s[n-]1 ZINC000480322380 561207206 /nfs/dbraw/zinc/20/72/06/561207206.db2.gz BUANWKYZOJVXMZ-UHFFFAOYSA-N -1 1 357.414 2.375 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](O)C3)cc2)cc1 ZINC000177367394 546601728 /nfs/dbraw/zinc/60/17/28/546601728.db2.gz YEPCUUBTQQCMLN-INIZCTEOSA-N -1 1 360.435 2.003 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)N1Cc2ccccc2C1 ZINC000480960590 561221281 /nfs/dbraw/zinc/22/12/81/561221281.db2.gz XDIBQXVJHJKUKD-NSHDSACASA-N -1 1 366.389 2.174 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)o1 ZINC000177525381 546637931 /nfs/dbraw/zinc/63/79/31/546637931.db2.gz BHKJEGJYVAEXBA-OLZOCXBDSA-N -1 1 367.427 2.115 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)c(O)c2C)ccc1[O-] ZINC000481435740 561232698 /nfs/dbraw/zinc/23/26/98/561232698.db2.gz BBSJFJFCUARQTB-UHFFFAOYSA-N -1 1 350.396 2.474 20 0 FEADMM CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178830647 546857355 /nfs/dbraw/zinc/85/73/55/546857355.db2.gz CXMZMXNXEVTEFJ-UHFFFAOYSA-N -1 1 371.684 2.184 20 0 FEADMM CC(C)(C)[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2nc[nH]n2)no1 ZINC000178837582 546858948 /nfs/dbraw/zinc/85/89/48/546858948.db2.gz ZHWUSICMESXOQX-NSHDSACASA-N -1 1 368.463 2.052 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000482479737 561254826 /nfs/dbraw/zinc/25/48/26/561254826.db2.gz MTXAWVODPWDDDI-CQSZACIVSA-N -1 1 371.290 2.076 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H]1CC[C@@H](C)C1 ZINC000482659413 561257889 /nfs/dbraw/zinc/25/78/89/561257889.db2.gz NOROZSARZHEGBB-IUODEOHRSA-N -1 1 360.458 2.258 20 0 FEADMM CC(C)c1nn(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000482921677 561263086 /nfs/dbraw/zinc/26/30/86/561263086.db2.gz UADHIOQIRODIST-UHFFFAOYSA-N -1 1 368.459 2.466 20 0 FEADMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000180884753 547201120 /nfs/dbraw/zinc/20/11/20/547201120.db2.gz TWRWLYUYHAXDOX-UHFFFAOYSA-N -1 1 359.389 2.347 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C/C=C/c2cccc(F)c2)c1 ZINC000181032621 547234682 /nfs/dbraw/zinc/23/46/82/547234682.db2.gz VANNCBMXWIZQRY-DUXPYHPUSA-N -1 1 350.371 2.221 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000181031377 547234881 /nfs/dbraw/zinc/23/48/81/547234881.db2.gz DARUDBAMRHWRPK-UHFFFAOYSA-N -1 1 370.377 2.279 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c(C)c1F ZINC000181125047 547254378 /nfs/dbraw/zinc/25/43/78/547254378.db2.gz PTYMWEHSNVJNJD-UHFFFAOYSA-N -1 1 352.343 2.378 20 0 FEADMM CC(C)(CNC(=O)N1CCN(c2nc(=N)[n-]s2)CC1)C1=CCCCC1 ZINC000483290104 561273119 /nfs/dbraw/zinc/27/31/19/561273119.db2.gz GJKLRCOEKHEZMB-UHFFFAOYSA-N -1 1 364.519 2.479 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CCCSC2)ccc1[N-]S(C)(=O)=O ZINC000483615813 561280789 /nfs/dbraw/zinc/28/07/89/561280789.db2.gz QGWGALGJJHCRIK-NSHDSACASA-N -1 1 359.473 2.084 20 0 FEADMM Cc1cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)ccc1C(=O)NC(C)C ZINC000181978837 547416232 /nfs/dbraw/zinc/41/62/32/547416232.db2.gz AHXJOOWFXFBOBP-UHFFFAOYSA-N -1 1 367.409 2.373 20 0 FEADMM CCc1nc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)n[nH]1 ZINC000182237319 547458363 /nfs/dbraw/zinc/45/83/63/547458363.db2.gz YNKRXPFDRRBDJE-UHFFFAOYSA-N -1 1 362.187 2.223 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183437406 547659366 /nfs/dbraw/zinc/65/93/66/547659366.db2.gz DLSGGPILZOKFPP-JTQLQIEISA-N -1 1 359.821 2.223 20 0 FEADMM COCc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)c1 ZINC000484551640 561299755 /nfs/dbraw/zinc/29/97/55/561299755.db2.gz JWLFBDKTFMFEPU-UHFFFAOYSA-N -1 1 351.380 2.341 20 0 FEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000484598580 561300905 /nfs/dbraw/zinc/30/09/05/561300905.db2.gz MROHAXWSVNMXQW-UHFFFAOYSA-N -1 1 367.379 2.436 20 0 FEADMM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000184400486 547820968 /nfs/dbraw/zinc/82/09/68/547820968.db2.gz OIVLESVKHOQWOJ-LBPRGKRZSA-N -1 1 356.825 2.369 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1F ZINC000184915972 547898905 /nfs/dbraw/zinc/89/89/05/547898905.db2.gz YRHFMRRGMDQOCY-WCQYABFASA-N -1 1 372.462 2.231 20 0 FEADMM CCc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184966507 547907883 /nfs/dbraw/zinc/90/78/83/547907883.db2.gz PKTKWMJWJJITDB-CQSZACIVSA-N -1 1 368.499 2.346 20 0 FEADMM Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc(C(=O)[O-])c1Cl ZINC000185059778 547925831 /nfs/dbraw/zinc/92/58/31/547925831.db2.gz TZUSHGGPIIGCLZ-NEPJUHHUSA-N -1 1 372.874 2.204 20 0 FEADMM O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2)=NN1 ZINC000485266539 561316008 /nfs/dbraw/zinc/31/60/08/561316008.db2.gz NQLLVLCTLVBBFA-UHFFFAOYSA-N -1 1 371.418 2.036 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000185641316 548013725 /nfs/dbraw/zinc/01/37/25/548013725.db2.gz NHMHQZHMSXLGGP-UHFFFAOYSA-N -1 1 356.407 2.486 20 0 FEADMM COc1cc(CN(CC(=O)[O-])C(=O)c2cccc3c[nH]nc32)cc(OC)c1 ZINC000485695742 561325998 /nfs/dbraw/zinc/32/59/98/561325998.db2.gz MHUHCRCWDUKTBE-UHFFFAOYSA-N -1 1 369.377 2.307 20 0 FEADMM CCOc1cc(C(=O)N2CCN(CC(C)C)C(=O)C2)cc(Cl)c1[O-] ZINC000186849448 548205607 /nfs/dbraw/zinc/20/56/07/548205607.db2.gz BPTXYCCLUIUKCR-UHFFFAOYSA-N -1 1 354.834 2.385 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCO[C@@H](c3ccc(F)cc3F)C1)c2=O ZINC000186872661 548209808 /nfs/dbraw/zinc/20/98/08/548209808.db2.gz AWZOIXGDIIRSTM-OAHLLOKOSA-N -1 1 374.347 2.166 20 0 FEADMM COCCO[C@@H]1COCC[C@@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000486031301 561335977 /nfs/dbraw/zinc/33/59/77/561335977.db2.gz SXTIGAMIOQDOPA-JKSUJKDBSA-N -1 1 374.441 2.093 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCCc2ccc(F)cc2)co1 ZINC000186934512 548222250 /nfs/dbraw/zinc/22/22/50/548222250.db2.gz OJUOSLDKZFEOJT-UHFFFAOYSA-N -1 1 368.430 2.470 20 0 FEADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000486335835 561344572 /nfs/dbraw/zinc/34/45/72/561344572.db2.gz AIBGYTNTQIGDQP-UHFFFAOYSA-N -1 1 373.390 2.225 20 0 FEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c1 ZINC000486522185 561349851 /nfs/dbraw/zinc/34/98/51/561349851.db2.gz YSIHBOKSZVOLKE-UHFFFAOYSA-N -1 1 372.406 2.245 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 ZINC000194748770 548526551 /nfs/dbraw/zinc/52/65/51/548526551.db2.gz LVDKTHZUPVOOCF-GOSISDBHSA-N -1 1 373.478 2.246 20 0 FEADMM CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)c2nc[n-]n2)C(C)C)cc1 ZINC000195044542 548567852 /nfs/dbraw/zinc/56/78/52/548567852.db2.gz QOYOGDJXAZSVSI-INIZCTEOSA-N -1 1 364.471 2.215 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c1C ZINC000195167217 548588537 /nfs/dbraw/zinc/58/85/37/548588537.db2.gz JYDLTXREALKTCV-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1C ZINC000195167217 548588542 /nfs/dbraw/zinc/58/85/42/548588542.db2.gz JYDLTXREALKTCV-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1cccc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c1C ZINC000195167217 548588544 /nfs/dbraw/zinc/58/85/44/548588544.db2.gz JYDLTXREALKTCV-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c1 ZINC000195176014 548590867 /nfs/dbraw/zinc/59/08/67/548590867.db2.gz HYWHOSUOSBSVEU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1 ZINC000195176014 548590869 /nfs/dbraw/zinc/59/08/69/548590869.db2.gz HYWHOSUOSBSVEU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c1 ZINC000195176014 548590872 /nfs/dbraw/zinc/59/08/72/548590872.db2.gz HYWHOSUOSBSVEU-UHFFFAOYSA-N -1 1 350.444 2.131 20 0 FEADMM O=S(=O)(Cc1ccc(CO)cc1)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000195210999 548597565 /nfs/dbraw/zinc/59/75/65/548597565.db2.gz SYSYQRHQWDLFGO-UHFFFAOYSA-N -1 1 369.446 2.427 20 0 FEADMM O=S(=O)(Cc1ccc(CO)cc1)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000195210999 548597567 /nfs/dbraw/zinc/59/75/67/548597567.db2.gz SYSYQRHQWDLFGO-UHFFFAOYSA-N -1 1 369.446 2.427 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000198236333 548658590 /nfs/dbraw/zinc/65/85/90/548658590.db2.gz HKCPWBOQSWQYNN-HNNXBMFYSA-N -1 1 359.499 2.284 20 0 FEADMM CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3ccc([O-])c(Cl)c3)c2C1 ZINC000487305912 561367460 /nfs/dbraw/zinc/36/74/60/561367460.db2.gz NPLAHFYLVXSFIW-NSHDSACASA-N -1 1 362.817 2.193 20 0 FEADMM COc1ccccc1C[C@H](CNC(=O)Cc1[nH]nc2ccccc21)C(=O)[O-] ZINC000237267410 548814147 /nfs/dbraw/zinc/81/41/47/548814147.db2.gz BMMMNIFKYIFLDM-CQSZACIVSA-N -1 1 367.405 2.174 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CO)cc1 ZINC000488261076 561387186 /nfs/dbraw/zinc/38/71/86/561387186.db2.gz FQSWNHZYKLWJQM-ZDUSSCGKSA-N -1 1 362.451 2.160 20 0 FEADMM O=C(NCCCCO)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000488573777 561392210 /nfs/dbraw/zinc/39/22/10/561392210.db2.gz PFQJQTDVASWKER-UHFFFAOYSA-N -1 1 363.439 2.381 20 0 FEADMM COCC1CCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000488939539 561399921 /nfs/dbraw/zinc/39/99/21/561399921.db2.gz UVVSDGWJVMGBCN-UHFFFAOYSA-N -1 1 370.453 2.370 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1 ZINC000488966726 561400568 /nfs/dbraw/zinc/40/05/68/561400568.db2.gz ANHRVBHDCYCKFC-UHFFFAOYSA-N -1 1 366.370 2.225 20 0 FEADMM C[C@@H]1CSCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000489496558 561412817 /nfs/dbraw/zinc/41/28/17/561412817.db2.gz FSVRGKDRWSIJPE-NSHDSACASA-N -1 1 360.501 2.182 20 0 FEADMM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@@H]12)c1sccc1Br ZINC000249940687 549634874 /nfs/dbraw/zinc/63/48/74/549634874.db2.gz SXMNDWYTFGNGOZ-SFGNSQDASA-N -1 1 352.275 2.356 20 0 FEADMM O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000253615736 549699380 /nfs/dbraw/zinc/69/93/80/549699380.db2.gz OBKJTRKPOUXWHX-UHFFFAOYSA-N -1 1 366.303 2.434 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000261880364 549766226 /nfs/dbraw/zinc/76/62/26/549766226.db2.gz TZSHMOXGHAXUON-JSGCOSHPSA-N -1 1 354.472 2.092 20 0 FEADMM CC(C)[C@@H](NC(=O)CN(C)CCC(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000262670771 549837747 /nfs/dbraw/zinc/83/77/47/549837747.db2.gz RMOYLQXKOBFRIW-LJQANCHMSA-N -1 1 364.442 2.068 20 0 FEADMM CCOc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000262679728 549838187 /nfs/dbraw/zinc/83/81/87/549838187.db2.gz SFWRAFAOQLCXTP-DZGCQCFKSA-N -1 1 364.442 2.068 20 0 FEADMM CCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])n[nH]1 ZINC000262812480 549852217 /nfs/dbraw/zinc/85/22/17/549852217.db2.gz PFTSFIMMIGYVMY-OAHLLOKOSA-N -1 1 373.409 2.204 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])n[nH]2)cc1 ZINC000263060754 549874837 /nfs/dbraw/zinc/87/48/37/549874837.db2.gz SQJFOFHDMXXOQY-DXCKQFNASA-N -1 1 355.394 2.411 20 0 FEADMM CC(=O)NC1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000263730593 549927817 /nfs/dbraw/zinc/92/78/17/549927817.db2.gz NBVTYDJMQGNFAA-UHFFFAOYSA-N -1 1 355.232 2.332 20 0 FEADMM CCC[C@@H](NC(=O)CCCCNC(=O)OCc1ccccc1)c1nn[n-]n1 ZINC000268413656 550061342 /nfs/dbraw/zinc/06/13/42/550061342.db2.gz IXBCFZOJSFBBLJ-OAHLLOKOSA-N -1 1 374.445 2.254 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 ZINC000492253371 561450481 /nfs/dbraw/zinc/45/04/81/561450481.db2.gz ORZIDXWAVFBPHB-UHFFFAOYSA-N -1 1 366.786 2.374 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2ccc(-c3ccccc3Cl)o2)n[n-]1 ZINC000492253371 561450482 /nfs/dbraw/zinc/45/04/82/561450482.db2.gz ORZIDXWAVFBPHB-UHFFFAOYSA-N -1 1 366.786 2.374 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1ccc(C)o1 ZINC000268996359 550142644 /nfs/dbraw/zinc/14/26/44/550142644.db2.gz WNNRLQIKJPXNHG-OAHLLOKOSA-N -1 1 355.412 2.271 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000269657324 550214691 /nfs/dbraw/zinc/21/46/91/550214691.db2.gz KCUJZNGXFRMVIN-UHFFFAOYSA-N -1 1 361.338 2.144 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@H]2CSC)ccc1[N-]S(C)(=O)=O ZINC000494185837 561464049 /nfs/dbraw/zinc/46/40/49/561464049.db2.gz NGFAPGJDFYNIMC-LBPRGKRZSA-N -1 1 373.500 2.426 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)n[nH]c3C(F)F)ccc21 ZINC000272451966 550449492 /nfs/dbraw/zinc/44/94/92/550449492.db2.gz MPSPYYHMEQOMJC-UHFFFAOYSA-N -1 1 370.381 2.366 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000273760572 550510534 /nfs/dbraw/zinc/51/05/34/550510534.db2.gz WHLJLMCKBSCZRM-RYUDHWBXSA-N -1 1 372.462 2.231 20 0 FEADMM CCOc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C)cc(Cl)c1[O-] ZINC000273925223 550516036 /nfs/dbraw/zinc/51/60/36/550516036.db2.gz GOHCZLXTIYLOJT-LLVKDONJSA-N -1 1 358.847 2.048 20 0 FEADMM CCOc1cc(-c2nc([C@@H]3CCS(=O)(=O)C3)no2)cc(Cl)c1[O-] ZINC000276995527 550619702 /nfs/dbraw/zinc/61/97/02/550619702.db2.gz YJUHNMNFLKRKCE-MRVPVSSYSA-N -1 1 358.803 2.396 20 0 FEADMM CCNC(=O)C1(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)CCC1 ZINC000277149685 550637154 /nfs/dbraw/zinc/63/71/54/550637154.db2.gz WCIFHXMASHRYAD-UHFFFAOYSA-N -1 1 354.834 2.481 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)n1 ZINC000277812975 550717188 /nfs/dbraw/zinc/71/71/88/550717188.db2.gz VCDMESUERYNZNF-UHFFFAOYSA-N -1 1 371.441 2.067 20 0 FEADMM COc1coc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1=O ZINC000277838463 550720049 /nfs/dbraw/zinc/72/00/49/550720049.db2.gz ZHPIKXPVYKSQIS-UHFFFAOYSA-N -1 1 350.396 2.318 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccccc3COC)CC2)n1 ZINC000277849194 550721126 /nfs/dbraw/zinc/72/11/26/550721126.db2.gz XKCDMRCVAHFQQF-UHFFFAOYSA-N -1 1 372.425 2.148 20 0 FEADMM Cc1cnc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c([O-])c1 ZINC000495015168 561480915 /nfs/dbraw/zinc/48/09/15/561480915.db2.gz DNKSGRPUSDLXSF-UHFFFAOYSA-N -1 1 351.410 2.226 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 ZINC000278511807 550793700 /nfs/dbraw/zinc/79/37/00/550793700.db2.gz RMYYZPVDCTZECO-UHFFFAOYSA-N -1 1 371.441 2.067 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C3(c4cccc(F)c4)CCOCC3)ccnc1-2 ZINC000279221532 550866362 /nfs/dbraw/zinc/86/63/62/550866362.db2.gz NOCLJBMZQJLOEI-KQWNVCNZSA-N -1 1 354.385 2.168 20 0 FEADMM Cc1cccc(C(=O)N[C@@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C(C)C)c1 ZINC000279762151 550926276 /nfs/dbraw/zinc/92/62/76/550926276.db2.gz MBGCEONCEQYRNN-CXJVOSNZSA-N -1 1 365.437 2.043 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)c3cnc(OCC4CC4)c(Cl)c3)ccnc1-2 ZINC000279907952 550942007 /nfs/dbraw/zinc/94/20/07/550942007.db2.gz VFDNAUZKOOPRTD-HMAPJEAMSA-N -1 1 357.801 2.431 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CCCN(C(C)=O)C2)cc(Cl)c1[O-] ZINC000280893895 551043286 /nfs/dbraw/zinc/04/32/86/551043286.db2.gz YKIZZJWXVFSMKR-GFCCVEGCSA-N -1 1 354.834 2.433 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)o1 ZINC000281324254 551084756 /nfs/dbraw/zinc/08/47/56/551084756.db2.gz AEUMDAJGOSVJQC-UHFFFAOYSA-N -1 1 358.803 2.156 20 0 FEADMM Cc1csc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000281432664 551096569 /nfs/dbraw/zinc/09/65/69/551096569.db2.gz SPDCWOYSOQFZGJ-UHFFFAOYSA-N -1 1 350.366 2.374 20 0 FEADMM Cn1cc(Cl)cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281581167 551116054 /nfs/dbraw/zinc/11/60/54/551116054.db2.gz BLAXJRQHVIQTCA-UHFFFAOYSA-N -1 1 351.756 2.209 20 0 FEADMM CNc1snc(C)c1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281638961 551124137 /nfs/dbraw/zinc/12/41/37/551124137.db2.gz HDISTKRVJKBGOI-UHFFFAOYSA-N -1 1 364.393 2.024 20 0 FEADMM COc1cccc(-c2nnc(SCc3nn[n-]n3)n2Cc2ccco2)c1 ZINC000497361755 561499225 /nfs/dbraw/zinc/49/92/25/561499225.db2.gz GNBJWLBBJLWBJZ-UHFFFAOYSA-N -1 1 369.410 2.400 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCCO)cc1 ZINC000282014533 551169689 /nfs/dbraw/zinc/16/96/89/551169689.db2.gz SYMJCHHCGMBENJ-UHFFFAOYSA-N -1 1 362.451 2.250 20 0 FEADMM CC(C)(C)n1ncnc1CNC(=O)c1cc(Br)ccc1[O-] ZINC000282743141 551265650 /nfs/dbraw/zinc/26/56/50/551265650.db2.gz RWTDTXUNOBDSCY-UHFFFAOYSA-N -1 1 353.220 2.431 20 0 FEADMM CCc1ccc([C@H]2COCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)o1 ZINC000282942368 551287776 /nfs/dbraw/zinc/28/77/76/551287776.db2.gz DMFAZKBQXMYVGE-CYBMUJFWSA-N -1 1 358.423 2.387 20 0 FEADMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000283041473 551302251 /nfs/dbraw/zinc/30/22/51/551302251.db2.gz GQWMLLVXXAHNCO-IJCDMOSTSA-N -1 1 352.394 2.101 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(O)c3)cc2CC1 ZINC000283826042 551433552 /nfs/dbraw/zinc/43/35/52/551433552.db2.gz KWZIHQJSPJURDI-UHFFFAOYSA-N -1 1 360.435 2.140 20 0 FEADMM C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000283997003 551464689 /nfs/dbraw/zinc/46/46/89/551464689.db2.gz JOYXJYWKQZVOQQ-SNVBAGLBSA-N -1 1 350.806 2.223 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCC1(c2ccccc2Cl)CC1 ZINC000498111048 561516295 /nfs/dbraw/zinc/51/62/95/561516295.db2.gz WCKJNLNKQFYALL-UHFFFAOYSA-N -1 1 359.813 2.018 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cn1 ZINC000285042063 551695438 /nfs/dbraw/zinc/69/54/38/551695438.db2.gz IIXUVZCMHNOJLF-AWEZNQCLSA-N -1 1 350.396 2.059 20 0 FEADMM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000285093992 551703691 /nfs/dbraw/zinc/70/36/91/551703691.db2.gz SUBRCGDUDJTWCJ-WFASDCNBSA-N -1 1 372.454 2.055 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2csc(CCC(C)C)n2)n1 ZINC000285185679 551717343 /nfs/dbraw/zinc/71/73/43/551717343.db2.gz TUAKWUAQYYBJHF-UHFFFAOYSA-N -1 1 357.457 2.215 20 0 FEADMM CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000285254045 551727191 /nfs/dbraw/zinc/72/71/91/551727191.db2.gz UWSSHSCPWJOSCG-ZDUSSCGKSA-N -1 1 371.846 2.161 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2[C@@H]2CCCO2)c(=O)[n-]1 ZINC000285911889 551826377 /nfs/dbraw/zinc/82/63/77/551826377.db2.gz UCCVWQKPTTWROZ-KBPBESRZSA-N -1 1 351.472 2.315 20 0 FEADMM COc1ccc(CCN(CCS(=O)(=O)CC(=O)[O-])CC(C)(C)C)cc1 ZINC000287003705 551950812 /nfs/dbraw/zinc/95/08/12/551950812.db2.gz FEVLEFYBCFJNQF-UHFFFAOYSA-N -1 1 371.499 2.085 20 0 FEADMM COCCCOc1cccc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287026230 551953413 /nfs/dbraw/zinc/95/34/13/551953413.db2.gz CMOHWWZYPPAFRO-QJOMJCCJSA-N -1 1 369.425 2.079 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000499288961 561547917 /nfs/dbraw/zinc/54/79/17/561547917.db2.gz XBBDVVMMRPSUGT-UHFFFAOYSA-N -1 1 368.378 2.118 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@H](c4ccccc4F)C3)ccnc1-2 ZINC000287137936 551968336 /nfs/dbraw/zinc/96/83/36/551968336.db2.gz LEFDWGULKIEUSP-AABCQZNVSA-N -1 1 355.373 2.086 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000287149152 551969629 /nfs/dbraw/zinc/96/96/29/551969629.db2.gz RBSJPGAJPVIPSU-OAHLLOKOSA-N -1 1 354.414 2.071 20 0 FEADMM Cc1ccc(C(=O)N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000287167596 551972111 /nfs/dbraw/zinc/97/21/11/551972111.db2.gz MSKDABIQNTXXIV-UHFFFAOYSA-N -1 1 370.380 2.007 20 0 FEADMM C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000287202544 551975785 /nfs/dbraw/zinc/97/57/85/551975785.db2.gz LZESFKYCDGLGLV-RDTXWAMCSA-N -1 1 374.462 2.326 20 0 FEADMM COc1c(C)cnc(CN(C)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1C ZINC000287501803 552012348 /nfs/dbraw/zinc/01/23/48/552012348.db2.gz HESLTSZWOBXHIF-HMAPJEAMSA-N -1 1 354.414 2.026 20 0 FEADMM CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287536679 552016640 /nfs/dbraw/zinc/01/66/40/552016640.db2.gz IJDQIKGPOCEYJJ-HEQHKCQXSA-N -1 1 365.437 2.136 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)ccnc1-2 ZINC000287539150 552017243 /nfs/dbraw/zinc/01/72/43/552017243.db2.gz JCUUVQIFEIYJNR-FECKRKIKSA-N -1 1 355.398 2.055 20 0 FEADMM CC(C)[C@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1nc(C2CC2)no1 ZINC000287731805 552039626 /nfs/dbraw/zinc/03/96/26/552039626.db2.gz TXCHKROJIRHCSD-RQZLXBNYSA-N -1 1 355.402 2.121 20 0 FEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)c(C4CC4)c3)ccc21 ZINC000499494685 561552291 /nfs/dbraw/zinc/55/22/91/561552291.db2.gz MAAQQTDUSAOOKM-UHFFFAOYSA-N -1 1 360.366 2.388 20 0 FEADMM C[C@H]1CCN(C(=O)c2cccc3nc[nH]c32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288048071 552080743 /nfs/dbraw/zinc/08/07/43/552080743.db2.gz DWMZXPWGZBKYCM-KWBADKCTSA-N -1 1 368.359 2.481 20 0 FEADMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000288061213 552083374 /nfs/dbraw/zinc/08/33/74/552083374.db2.gz FSTIUSMYKAMRNJ-QGZVFWFLSA-N -1 1 368.389 2.132 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000288504991 552165203 /nfs/dbraw/zinc/16/52/03/552165203.db2.gz MRWDZYRIWROGTL-UHFFFAOYSA-N -1 1 351.428 2.122 20 0 FEADMM CCN(CC)CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccnc2)c1 ZINC000288555926 552174772 /nfs/dbraw/zinc/17/47/72/552174772.db2.gz JIYDHUDEDQMICA-UHFFFAOYSA-N -1 1 362.455 2.163 20 0 FEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)no1 ZINC000289424159 552318926 /nfs/dbraw/zinc/31/89/26/552318926.db2.gz CGEPPZOBWUCPCO-MRVPVSSYSA-N -1 1 363.798 2.438 20 0 FEADMM Cc1cnccc1OC1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000289471232 552327263 /nfs/dbraw/zinc/32/72/63/552327263.db2.gz WZMAPJGGAZIVBD-UHFFFAOYSA-N -1 1 355.438 2.481 20 0 FEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)s1 ZINC000289492481 552330258 /nfs/dbraw/zinc/33/02/58/552330258.db2.gz JWRZLEVUCZEMQQ-UHFFFAOYSA-N -1 1 367.374 2.320 20 0 FEADMM Cc1ccccc1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289614133 552349739 /nfs/dbraw/zinc/34/97/39/552349739.db2.gz RBLRQSMGEJQGQO-GFCCVEGCSA-N -1 1 364.389 2.074 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(Cc2cnn(-c3ccccc3)n2)C1)C(F)(F)F ZINC000289629967 552352636 /nfs/dbraw/zinc/35/26/36/552352636.db2.gz ZQLGDCVLAXJWFK-ZDUSSCGKSA-N -1 1 367.375 2.158 20 0 FEADMM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N(C)C ZINC000289914087 552398637 /nfs/dbraw/zinc/39/86/37/552398637.db2.gz UGWPXEWJHJMBGP-CYBMUJFWSA-N -1 1 368.484 2.223 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)o1 ZINC000290367858 552468072 /nfs/dbraw/zinc/46/80/72/552468072.db2.gz APRTYWJJPHIKBR-AOOOYVTPSA-N -1 1 368.377 2.381 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCc3nnn(C)c3C2)c1 ZINC000290416369 552475749 /nfs/dbraw/zinc/47/57/49/552475749.db2.gz MVBUYZCTMGLGDR-VIFPVBQESA-N -1 1 365.231 2.335 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)CCCC1 ZINC000290639846 552511052 /nfs/dbraw/zinc/51/10/52/552511052.db2.gz LZYAMVNYMXHLEG-UHFFFAOYSA-N -1 1 363.382 2.449 20 0 FEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2nc3cccnc3s2)C1)C(F)(F)F ZINC000290728277 552527263 /nfs/dbraw/zinc/52/72/63/552527263.db2.gz FRBXGWWLLBLLRE-VIFPVBQESA-N -1 1 372.372 2.222 20 0 FEADMM COC(C)(C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000290844816 552548100 /nfs/dbraw/zinc/54/81/00/552548100.db2.gz VXGPKCVYPZRFRN-ZDUSSCGKSA-N -1 1 373.862 2.465 20 0 FEADMM COCCCONC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000290877311 552554099 /nfs/dbraw/zinc/55/40/99/552554099.db2.gz KOTTXRSGWRBDAA-UHFFFAOYSA-N -1 1 355.188 2.401 20 0 FEADMM Cc1c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cnn1C(C)(C)C ZINC000291193433 552598311 /nfs/dbraw/zinc/59/83/11/552598311.db2.gz UFNRRPDBFPNGFL-GFCCVEGCSA-N -1 1 374.407 2.477 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CO)C1CCCC1 ZINC000291956325 552678723 /nfs/dbraw/zinc/67/87/23/552678723.db2.gz FYZPLELIPHFVHR-QGZVFWFLSA-N -1 1 370.453 2.153 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCN(C3CCC3)C[C@@H](C)C2)ccc1C(=O)[O-] ZINC000291975572 552680679 /nfs/dbraw/zinc/68/06/79/552680679.db2.gz UIBFYALAWHWFEP-CYBMUJFWSA-N -1 1 366.483 2.188 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)o1 ZINC000292384209 552722022 /nfs/dbraw/zinc/72/20/22/552722022.db2.gz BHGUYCGJYMQGBQ-AULYBMBSSA-N -1 1 352.387 2.003 20 0 FEADMM C[C@H]1CCN(C(=O)c2cn(C)nc2C2CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000292458085 552728702 /nfs/dbraw/zinc/72/87/02/552728702.db2.gz WNKWMWKOTRAAMK-KWBADKCTSA-N -1 1 372.391 2.215 20 0 FEADMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293078636 552786843 /nfs/dbraw/zinc/78/68/43/552786843.db2.gz MFWOFIHHLVGIKB-UFBFGSQYSA-N -1 1 361.345 2.239 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(=O)c3ccc([O-])cc3)CC[C@H]21 ZINC000293645602 552843483 /nfs/dbraw/zinc/84/34/83/552843483.db2.gz HSUQOXYUOQMSQK-GOEBONIOSA-N -1 1 374.437 2.433 20 0 FEADMM COC1(CCNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCC1 ZINC000293867924 552863795 /nfs/dbraw/zinc/86/37/95/552863795.db2.gz JIVOHHNWDVKGFJ-UHFFFAOYSA-N -1 1 356.426 2.171 20 0 FEADMM Cc1nccnc1CC[N-]S(=O)(=O)c1sccc1Br ZINC000293917270 552867699 /nfs/dbraw/zinc/86/76/99/552867699.db2.gz XORGEMHWVQFNGH-UHFFFAOYSA-N -1 1 362.274 2.130 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc2[nH]ncc21 ZINC000293919357 552867795 /nfs/dbraw/zinc/86/77/95/552867795.db2.gz PHFVWCCBMIZNCA-BXKDBHETSA-N -1 1 354.332 2.235 20 0 FEADMM CCC[C@@H](C)C(=O)NCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000294019380 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FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)c1ccccn1 ZINC000295587125 553029636 /nfs/dbraw/zinc/02/96/36/553029636.db2.gz DATJWPQNFPQAPU-UHFFFAOYSA-N -1 1 367.453 2.473 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)co1 ZINC000295690598 553045216 /nfs/dbraw/zinc/04/52/16/553045216.db2.gz ZNJMPFNIFBEFIP-CQSZACIVSA-N -1 1 370.377 2.273 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000296074951 553100556 /nfs/dbraw/zinc/10/05/56/553100556.db2.gz KYVMETUFMUSURF-JOYOIKCWSA-N -1 1 370.375 2.371 20 0 FEADMM CC[C@@H](C)[C@H](CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)OC ZINC000296956310 553235062 /nfs/dbraw/zinc/23/50/62/553235062.db2.gz PYQHIFXVQWPIQD-ABAIWWIYSA-N -1 1 373.475 2.249 20 0 FEADMM COc1ccc(NC(=O)N2CC[C@H](SC)C2)cc1[N-]S(C)(=O)=O ZINC000297033109 553244814 /nfs/dbraw/zinc/24/48/14/553244814.db2.gz UPWQOXGTHIWNCZ-NSHDSACASA-N -1 1 359.473 2.036 20 0 FEADMM COc1ccc(NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1[N-]S(C)(=O)=O ZINC000298585893 553445106 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CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)cc1 ZINC000326787066 553783010 /nfs/dbraw/zinc/78/30/10/553783010.db2.gz WDUBLUMRDRUWHM-UHFFFAOYSA-N -1 1 366.395 2.184 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000327240878 553787241 /nfs/dbraw/zinc/78/72/41/553787241.db2.gz WBIHZBRFAZKNMX-UHFFFAOYSA-N -1 1 357.391 2.146 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC000327352124 553788073 /nfs/dbraw/zinc/78/80/73/553788073.db2.gz FLSHHBOEHDFABL-UHFFFAOYSA-N -1 1 370.333 2.422 20 0 FEADMM CC1(C)OCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000328415557 553793947 /nfs/dbraw/zinc/79/39/47/553793947.db2.gz WWSXZDBLIUAMRR-LLVKDONJSA-N -1 1 361.179 2.294 20 0 FEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506614670 561703922 /nfs/dbraw/zinc/70/39/22/561703922.db2.gz VLWZRBITTQVHAD-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000506725406 561707038 /nfs/dbraw/zinc/70/70/38/561707038.db2.gz HPKDMFDHIDJJBM-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000506847485 561710102 /nfs/dbraw/zinc/71/01/02/561710102.db2.gz QMYNFRPGHNRHCD-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM COc1ccccc1-c1nc(=NC(=O)c2cc(-n3cccn3)ccn2)[n-][nH]1 ZINC000605505322 553993281 /nfs/dbraw/zinc/99/32/81/553993281.db2.gz QDQCMAGDTWMLAT-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c(=O)[n-]1 ZINC000329839035 554016320 /nfs/dbraw/zinc/01/63/20/554016320.db2.gz VWQBBSJBLMXEEQ-QGZVFWFLSA-N -1 1 364.471 2.114 20 0 FEADMM CNC(=O)Nc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000507628942 561735779 /nfs/dbraw/zinc/73/57/79/561735779.db2.gz HLUZJCPHHGCJBB-UHFFFAOYSA-N -1 1 373.387 2.138 20 0 FEADMM O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507873019 561744193 /nfs/dbraw/zinc/74/41/93/561744193.db2.gz IHCMKOVHYFTASF-OAHLLOKOSA-N -1 1 353.382 2.040 20 0 FEADMM COCC1(C)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1 ZINC000330635634 554149028 /nfs/dbraw/zinc/14/90/28/554149028.db2.gz AMAUTVYHUKYCFX-UHFFFAOYSA-N -1 1 353.488 2.420 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(=O)[n-]1 ZINC000330777776 554170040 /nfs/dbraw/zinc/17/00/40/554170040.db2.gz ARKVPOABGDCRFR-GXSJLCMTSA-N -1 1 352.460 2.307 20 0 FEADMM CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000330833504 554177191 /nfs/dbraw/zinc/17/71/91/554177191.db2.gz QRJHGWPIBYUVLE-LLVKDONJSA-N -1 1 352.378 2.174 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)C(=O)NCc1ccccc1)c2=O ZINC000508389389 561761005 /nfs/dbraw/zinc/76/10/05/561761005.db2.gz XOFNVELLLRUNLA-ZDUSSCGKSA-N -1 1 364.405 2.079 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)C(=O)NCc3ccccc3)cnc2n1 ZINC000508389389 561761006 /nfs/dbraw/zinc/76/10/06/561761006.db2.gz XOFNVELLLRUNLA-ZDUSSCGKSA-N -1 1 364.405 2.079 20 0 FEADMM CCCNC(=O)C1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000331243903 554235202 /nfs/dbraw/zinc/23/52/02/554235202.db2.gz SCYDRPCVNHZURD-UHFFFAOYSA-N -1 1 354.834 2.433 20 0 FEADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000331659304 554303453 /nfs/dbraw/zinc/30/34/53/554303453.db2.gz MGODTTRCCUWQIJ-NWDGAFQWSA-N -1 1 363.462 2.824 20 0 FEADMM COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000509378771 561796969 /nfs/dbraw/zinc/79/69/69/561796969.db2.gz MMYLWUYKYZBWRC-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(O)CC3)c2)c1 ZINC000509538636 561804433 /nfs/dbraw/zinc/80/44/33/561804433.db2.gz GYAOIHQWJMOAEV-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(N(C)C)c3ccccc3n2)n1 ZINC000510006417 561821751 /nfs/dbraw/zinc/82/17/51/561821751.db2.gz HEWFNBACZHVABT-UHFFFAOYSA-N -1 1 353.382 2.453 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cnn1C)c1ccc2ccccc2c1 ZINC000510014010 561821992 /nfs/dbraw/zinc/82/19/92/561821992.db2.gz LVMAUDVKURXARG-MRXNPFEDSA-N -1 1 373.434 2.074 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H]3C)cc2)cc1 ZINC000332443310 554447161 /nfs/dbraw/zinc/44/71/61/554447161.db2.gz BQQPMASSOHLCGM-RHSMWYFYSA-N -1 1 374.462 2.391 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@H]2C)cc1 ZINC000332503150 554457685 /nfs/dbraw/zinc/45/76/85/554457685.db2.gz ZZFJQIYJLVVLQI-ZBFHGGJFSA-N -1 1 374.462 2.391 20 0 FEADMM CC1(C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000332515368 554460441 /nfs/dbraw/zinc/46/04/41/554460441.db2.gz MKNRXHOCXVANLA-NSHDSACASA-N -1 1 355.316 2.105 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1sccc1Cl ZINC000333657754 554631167 /nfs/dbraw/zinc/63/11/67/554631167.db2.gz GGJLXSOHQUDCGO-CMPLNLGQSA-N -1 1 365.904 2.248 20 0 FEADMM Cn1ncc2c1CCCN(C(=O)c1ccc(Br)c([O-])c1)C2 ZINC000334002279 554667168 /nfs/dbraw/zinc/66/71/68/554667168.db2.gz SHQDOVCMKXHVAM-UHFFFAOYSA-N -1 1 350.216 2.477 20 0 FEADMM CCN1CC(=O)N(Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1=O ZINC000348789352 554699606 /nfs/dbraw/zinc/69/96/06/554699606.db2.gz DRXBMWOSTXBZIB-UHFFFAOYSA-N -1 1 373.434 2.272 20 0 FEADMM CCS(=O)(=O)N1CCC(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000350818591 554815910 /nfs/dbraw/zinc/81/59/10/554815910.db2.gz OJJXJSXBKOPNIJ-UHFFFAOYSA-N -1 1 355.391 2.110 20 0 FEADMM CC(C)(C)n1cc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cn1 ZINC000350949125 554825092 /nfs/dbraw/zinc/82/50/92/554825092.db2.gz RPJNPTZDQRMFML-UHFFFAOYSA-N -1 1 367.456 2.228 20 0 FEADMM C[C@H](c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1nccs1 ZINC000351346577 554852384 /nfs/dbraw/zinc/85/23/84/554852384.db2.gz RGRHIODGMZJNQG-MRVPVSSYSA-N -1 1 356.454 2.218 20 0 FEADMM CCc1nc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cs1 ZINC000363089799 555027919 /nfs/dbraw/zinc/02/79/19/555027919.db2.gz NESUCLIZXHKAKR-UHFFFAOYSA-N -1 1 369.450 2.430 20 0 FEADMM Cc1nc([C@H]([N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc2)n[nH]1 ZINC000363484685 555117443 /nfs/dbraw/zinc/11/74/43/555117443.db2.gz CMYSHKCROUQURP-OAHLLOKOSA-N -1 1 364.377 2.459 20 0 FEADMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cnn(C)c1 ZINC000363574259 555140125 /nfs/dbraw/zinc/14/01/25/555140125.db2.gz COSYFEVHIIVGFO-ZDUSSCGKSA-N -1 1 356.426 2.491 20 0 FEADMM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccncc1[O-] ZINC000512001607 561888638 /nfs/dbraw/zinc/88/86/38/561888638.db2.gz KYJNYRVXTLRENL-MRVPVSSYSA-N -1 1 354.193 2.273 20 0 FEADMM COC(=O)CCc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1 ZINC000512019991 561889382 /nfs/dbraw/zinc/88/93/82/561889382.db2.gz MLVYXVOUKJSESS-UHFFFAOYSA-N -1 1 354.366 2.032 20 0 FEADMM COc1ccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000363755153 555179170 /nfs/dbraw/zinc/17/91/70/555179170.db2.gz DHLUHPKHVAEMNG-KBPBESRZSA-N -1 1 361.423 2.204 20 0 FEADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000363779031 555184039 /nfs/dbraw/zinc/18/40/39/555184039.db2.gz ZISXEESMYVRPRG-CQSZACIVSA-N -1 1 355.394 2.348 20 0 FEADMM C[C@H](Sc1nncn1C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363851172 555199350 /nfs/dbraw/zinc/19/93/50/555199350.db2.gz DTUVTJKYKMMDCH-LBPRGKRZSA-N -1 1 374.466 2.123 20 0 FEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)c1 ZINC000364121553 555253894 /nfs/dbraw/zinc/25/38/94/555253894.db2.gz QNMPRYCRCBHGTN-CQSZACIVSA-N -1 1 370.446 2.163 20 0 FEADMM Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)no1 ZINC000364407375 555307642 /nfs/dbraw/zinc/30/76/42/555307642.db2.gz VJQGFXUJFBIJHS-UHFFFAOYSA-N -1 1 373.390 2.473 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000616800267 555339909 /nfs/dbraw/zinc/33/99/09/555339909.db2.gz UPJCGALPEWOYHJ-UHFFFAOYSA-N -1 1 366.425 2.243 20 0 FEADMM COc1cccc(-c2cnc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)o2)c1 ZINC000365615727 555623535 /nfs/dbraw/zinc/62/35/35/555623535.db2.gz AVDFCXSZQKUDFY-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000365833500 555678728 /nfs/dbraw/zinc/67/87/28/555678728.db2.gz NBLBSDHYJQEZEM-UHFFFAOYSA-N -1 1 364.406 2.264 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000513799056 561950383 /nfs/dbraw/zinc/95/03/83/561950383.db2.gz IRLRNALVFIUCTB-JTQLQIEISA-N -1 1 369.395 2.123 20 0 FEADMM O=C(N=c1cc(-c2cc3ccccc3s2)[n-][nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000366154062 555766664 /nfs/dbraw/zinc/76/66/64/555766664.db2.gz BHVNKKVZDQHVIG-LLVKDONJSA-N -1 1 361.448 2.665 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)c1 ZINC000513792360 561950182 /nfs/dbraw/zinc/95/01/82/561950182.db2.gz FFKXVLITEXGGGM-UHFFFAOYSA-N -1 1 361.322 2.146 20 0 FEADMM COC(=O)c1ccc(=NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[n-]n1 ZINC000619605595 555807910 /nfs/dbraw/zinc/80/79/10/555807910.db2.gz KVHSIPJUQYFPSE-OAHLLOKOSA-N -1 1 354.410 2.114 20 0 FEADMM Cc1nc(-c2ccc(N3C[C@H](C)O[C@]4(CCOC4)C3)nc2)[n-]c(=O)c1C ZINC000366546522 555873052 /nfs/dbraw/zinc/87/30/52/555873052.db2.gz VPVBMUYBGZSJGS-HXPMCKFVSA-N -1 1 356.426 2.245 20 0 FEADMM O=C(CCc1cc(Br)cs1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366709993 555915264 /nfs/dbraw/zinc/91/52/64/555915264.db2.gz MGYIMWGIJYQHBO-SECBINFHSA-N -1 1 370.276 2.363 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2NC(=O)C1 ZINC000514614013 561970084 /nfs/dbraw/zinc/97/00/84/561970084.db2.gz FWKDVVCISHTQKL-UHFFFAOYSA-N -1 1 354.410 2.383 20 0 FEADMM Cc1nnc([C@H]2CC23CCN(CC(=O)[N-]OCc2ccccc2)CC3)o1 ZINC000367563342 556083456 /nfs/dbraw/zinc/08/34/56/556083456.db2.gz LTDQWBRRBDERTB-MRXNPFEDSA-N -1 1 356.426 2.196 20 0 FEADMM ClC(Cl)(Cl)c1nc(=NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s[n-]1 ZINC000367717588 556121629 /nfs/dbraw/zinc/12/16/29/556121629.db2.gz UNZMCDSNVVOZEQ-JGVFFNPUSA-N -1 1 357.694 2.062 20 0 FEADMM COC(=O)c1cc(C)nc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000367835901 556151024 /nfs/dbraw/zinc/15/10/24/556151024.db2.gz KQAJYFCLKDYDQO-UHFFFAOYSA-N -1 1 355.394 2.377 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)c1Cl ZINC000368232419 556254384 /nfs/dbraw/zinc/25/43/84/556254384.db2.gz RLAXDDNMFZMJLF-OLZOCXBDSA-N -1 1 355.847 2.272 20 0 FEADMM Cc1ccc(N2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2=O)o1 ZINC000368491435 556325632 /nfs/dbraw/zinc/32/56/32/556325632.db2.gz IDJOKBSRLNAKIS-UHFFFAOYSA-N -1 1 372.425 2.179 20 0 FEADMM CCCCO[C@@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368505215 556329923 /nfs/dbraw/zinc/32/99/23/556329923.db2.gz XYBMIUZZHDIQES-TVQRCGJNSA-N -1 1 355.801 2.403 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCO[C@H]3CCC[C@@H]32)c(=O)[n-]1 ZINC000369458700 556604900 /nfs/dbraw/zinc/60/49/00/556604900.db2.gz QYOZXMOPXYGCOB-KBPBESRZSA-N -1 1 351.472 2.315 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@@H](NC(=O)C4CCC4)C3)nc2)[n-]c(=O)c1C ZINC000369696008 556670983 /nfs/dbraw/zinc/67/09/83/556670983.db2.gz KUQDDIUBORUPES-MRXNPFEDSA-N -1 1 367.453 2.356 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3sc(C)nc32)o1 ZINC000369798003 556698058 /nfs/dbraw/zinc/69/80/58/556698058.db2.gz AMDHANIYUZGJFK-JTQLQIEISA-N -1 1 370.452 2.230 20 0 FEADMM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc2ccccc2cc1[O-] ZINC000370018953 556759363 /nfs/dbraw/zinc/75/93/63/556759363.db2.gz OVEDEYHSBRFGHT-QGZVFWFLSA-N -1 1 354.406 2.055 20 0 FEADMM CC(C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000370068260 556772484 /nfs/dbraw/zinc/77/24/84/556772484.db2.gz WFISLLNJDKLVAU-MRXNPFEDSA-N -1 1 356.422 2.037 20 0 FEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000516507366 562045419 /nfs/dbraw/zinc/04/54/19/562045419.db2.gz SNHOQQCALXNGHZ-UHFFFAOYSA-N -1 1 356.350 2.356 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cccc(O)c1 ZINC000370719465 556948854 /nfs/dbraw/zinc/94/88/54/556948854.db2.gz ATJSLGOCTACQHQ-GFCCVEGCSA-N -1 1 364.405 2.266 20 0 FEADMM O=C(CSc1ccc2ccccc2c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370853954 556992123 /nfs/dbraw/zinc/99/21/23/556992123.db2.gz VXEVDGYFZAMEPL-HNNXBMFYSA-N -1 1 355.423 2.045 20 0 FEADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(c2ccc(F)cc2)CCCCC1 ZINC000370862887 556994576 /nfs/dbraw/zinc/99/45/76/556994576.db2.gz SFYLKPJUEMTNNA-OAHLLOKOSA-N -1 1 359.405 2.141 20 0 FEADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3ncccc3[O-])CC2)c1 ZINC000516997612 562069972 /nfs/dbraw/zinc/06/99/72/562069972.db2.gz IPFSNZKMWWLUPD-MRXNPFEDSA-N -1 1 355.438 2.207 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NC[C@@](C)(O)c3ccccc3Cl)ccnc1-2 ZINC000806494803 674379024 /nfs/dbraw/zinc/37/90/24/674379024.db2.gz KZHUCSUKZZJPHO-QGZVFWFLSA-N -1 1 359.817 2.024 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000371298586 557136296 /nfs/dbraw/zinc/13/62/96/557136296.db2.gz XPEUBPFBDRDMBZ-BBWFWOEESA-N -1 1 355.442 2.382 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cccc(-c3ncon3)c2)cc1C(=O)[O-] ZINC000371414343 557178587 /nfs/dbraw/zinc/17/85/87/557178587.db2.gz GNXDGFLGQGAXAQ-UHFFFAOYSA-N -1 1 362.367 2.057 20 0 FEADMM C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000371482695 557195630 /nfs/dbraw/zinc/19/56/30/557195630.db2.gz MTQUMRFROZQFCZ-KBXCAEBGSA-N -1 1 368.433 2.397 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)cc2)o1 ZINC000517415299 562089745 /nfs/dbraw/zinc/08/97/45/562089745.db2.gz SZNPYPKSSKKJAW-UHFFFAOYSA-N -1 1 353.396 2.332 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCOc2ccc(C)cc2)o1 ZINC000518087119 562104136 /nfs/dbraw/zinc/10/41/36/562104136.db2.gz OHGVAOCXTAPXCM-UHFFFAOYSA-N -1 1 353.396 2.122 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(N(C)C)n1 ZINC000371625467 557244077 /nfs/dbraw/zinc/24/40/77/557244077.db2.gz WNZAHUDNRLELAK-UHFFFAOYSA-N -1 1 364.409 2.195 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc2ccccc2n1 ZINC000517866951 562099271 /nfs/dbraw/zinc/09/92/71/562099271.db2.gz HZBHLOTVRAAREV-UHFFFAOYSA-N -1 1 361.405 2.459 20 0 FEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000517918367 562100709 /nfs/dbraw/zinc/10/07/09/562100709.db2.gz IAPOHJHEGQWMRM-GDBMZVCRSA-N -1 1 362.474 2.445 20 0 FEADMM CSCC[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000517943838 562101233 /nfs/dbraw/zinc/10/12/33/562101233.db2.gz ILARAJKAHCBCBC-MRVPVSSYSA-N -1 1 359.803 2.103 20 0 FEADMM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2)N(C)C)s1 ZINC000372517699 557490473 /nfs/dbraw/zinc/49/04/73/557490473.db2.gz WAFOTGHTQQXZGQ-AWEZNQCLSA-N -1 1 371.470 2.661 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)o1 ZINC000519377386 562130520 /nfs/dbraw/zinc/13/05/20/562130520.db2.gz JMLZYDJSSGRZCU-UHFFFAOYSA-N -1 1 353.396 2.040 20 0 FEADMM Cc1cc(CN(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)no1 ZINC000519514071 562132907 /nfs/dbraw/zinc/13/29/07/562132907.db2.gz ZOKJPYAYQCMXSL-UHFFFAOYSA-N -1 1 367.409 2.440 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCOc2ccccc21 ZINC000373067475 557620600 /nfs/dbraw/zinc/62/06/00/557620600.db2.gz CGPOWGDWARELDN-UHFFFAOYSA-N -1 1 362.389 2.108 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)[C@H](C)CC)CC2)n1 ZINC000373108367 557630427 /nfs/dbraw/zinc/63/04/27/557630427.db2.gz BDTIYRJPNACEAW-NEPJUHHUSA-N -1 1 351.451 2.305 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](Oc2ccc(C)nc2)C1 ZINC000373115921 557631745 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COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)n[nH]2)cc1 ZINC000374115565 557826236 /nfs/dbraw/zinc/82/62/36/557826236.db2.gz SDCMDILYAKVLSE-DJJJIMSYSA-N -1 1 355.394 2.412 20 0 FEADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1cccc(-n2cnnn2)c1 ZINC000520974486 562166682 /nfs/dbraw/zinc/16/66/82/562166682.db2.gz IHPOAYSKJMEGPK-UHFFFAOYSA-N -1 1 358.408 2.073 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)co1 ZINC000374304953 557862261 /nfs/dbraw/zinc/86/22/61/557862261.db2.gz DXKTVWYSBWSYDL-QGZVFWFLSA-N -1 1 366.414 2.207 20 0 FEADMM CSc1nc(C)c(CCC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)c(=O)[n-]1 ZINC000375123415 557980972 /nfs/dbraw/zinc/98/09/72/557980972.db2.gz HLMHWYGDCTWTDD-MAUKXSAKSA-N -1 1 365.499 2.467 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000375148852 557983967 /nfs/dbraw/zinc/98/39/67/557983967.db2.gz BAIFSAONBNXSTC-UHFFFAOYSA-N -1 1 365.393 2.203 20 0 FEADMM CN1C[C@@H]2[C@@H](CCCN2C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1=O ZINC000375654416 558062921 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20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1F ZINC000421164146 559527900 /nfs/dbraw/zinc/52/79/00/559527900.db2.gz JMOINEMGKUZNLD-ZDUSSCGKSA-N -1 1 360.451 2.330 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(-c2nc[nH]n2)ccc1F ZINC000421165574 559528120 /nfs/dbraw/zinc/52/81/20/559528120.db2.gz MXFZBSQSDOSHNO-GFCCVEGCSA-N -1 1 356.423 2.414 20 0 FEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc2oc(=O)n(C)c2cc1F ZINC000421167079 559528187 /nfs/dbraw/zinc/52/81/87/559528187.db2.gz RXMFIBUQTSXVJX-JTQLQIEISA-N -1 1 360.407 2.073 20 0 FEADMM CCC[C@@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2)c1nn[n-]n1 ZINC000421782794 559553422 /nfs/dbraw/zinc/55/34/22/559553422.db2.gz DDENNDZRSVNNKX-CQSZACIVSA-N -1 1 369.404 2.284 20 0 FEADMM COc1cc2c([O-])c(C(=O)N=c3cc(C)n(C(C)C)[nH]3)cnc2cc1F ZINC000422073346 559563833 /nfs/dbraw/zinc/56/38/33/559563833.db2.gz FXGKBLAUUQAQBE-UHFFFAOYSA-N -1 1 358.373 3.014 20 0 FEADMM CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422641562 559599557 /nfs/dbraw/zinc/59/95/57/559599557.db2.gz DXUQAOMIWVRDLF-UHFFFAOYSA-N -1 1 361.442 2.048 20 0 FEADMM COc1cccc(S([O-])=CC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000424727868 559674824 /nfs/dbraw/zinc/67/48/24/559674824.db2.gz BKPWKCMFQDMISL-RUZDIDTESA-N -1 1 364.511 2.280 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3CCC[C@H](F)C3)CC2)n1 ZINC000424806808 559677248 /nfs/dbraw/zinc/67/72/48/559677248.db2.gz IMJIWTBIVOUCOI-OLZOCXBDSA-N -1 1 352.410 2.216 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2C)c(F)c1 ZINC000425182465 559689899 /nfs/dbraw/zinc/68/98/99/559689899.db2.gz YYYXZBKCVZCATI-AWEZNQCLSA-N -1 1 355.406 2.464 20 0 FEADMM C[C@H](N=c1ccc(N2CCN(c3cccnn3)CC2)n[n-]1)c1ccccc1 ZINC000425221096 559692014 /nfs/dbraw/zinc/69/20/14/559692014.db2.gz FVYFEXXXKXDSDB-INIZCTEOSA-N -1 1 361.453 2.766 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)cn1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425320367 559696515 /nfs/dbraw/zinc/69/65/15/559696515.db2.gz KXEYZMSNLOAQPO-UHFFFAOYSA-N -1 1 372.303 2.131 20 0 FEADMM C[C@@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)[C@@H]1OCCc2sccc21 ZINC000425328618 559697020 /nfs/dbraw/zinc/69/70/20/559697020.db2.gz XSSPVKQHUBUUOO-YGRLFVJLSA-N -1 1 363.439 2.493 20 0 FEADMM Cc1cnc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000427091506 559747630 /nfs/dbraw/zinc/74/76/30/559747630.db2.gz DRHVSDRGUPDAIT-CYBMUJFWSA-N -1 1 361.398 2.389 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)Cc1cccc(O)c1 ZINC000427639346 559759451 /nfs/dbraw/zinc/75/94/51/559759451.db2.gz YPAUCCUEMYEARQ-LBPRGKRZSA-N -1 1 368.437 2.437 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)Cc1cccc(O)c1 ZINC000427647914 559759657 /nfs/dbraw/zinc/75/96/57/559759657.db2.gz XKZXIUJVSGNCLL-LLVKDONJSA-N -1 1 354.410 2.047 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCCO)c2)c1 ZINC000427821798 559763358 /nfs/dbraw/zinc/76/33/58/559763358.db2.gz XIPHUNUADGJSKU-UHFFFAOYSA-N -1 1 362.451 2.298 20 0 FEADMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ncc(C)cc1[O-] ZINC000427822914 559763494 /nfs/dbraw/zinc/76/34/94/559763494.db2.gz FEJXAXSIWQSZNU-HNNXBMFYSA-N -1 1 353.378 2.091 20 0 FEADMM O=C(Nc1cccc(NC(=O)c2ncccc2O)c1)c1ncccc1[O-] ZINC000428262471 559772553 /nfs/dbraw/zinc/77/25/53/559772553.db2.gz FXUFTQOZBOCCPE-UHFFFAOYSA-N -1 1 350.334 2.392 20 0 FEADMM Cc1cc(CN=c2[n-]c(C(N)=O)cs2)ccc1I ZINC000432163126 559853143 /nfs/dbraw/zinc/85/31/43/559853143.db2.gz PQSUCHZCIZSLTL-UHFFFAOYSA-N -1 1 373.219 2.767 20 0 FEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432185790 559853736 /nfs/dbraw/zinc/85/37/36/559853736.db2.gz MHPBTCHIVKCBAS-UHFFFAOYSA-N -1 1 371.418 2.079 20 0 FEADMM CN1CC[C@@H](N=c2[n-]c(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000432323145 559856268 /nfs/dbraw/zinc/85/62/68/559856268.db2.gz PGBVHMXQFUTJQD-DGCLKSJQSA-N -1 1 354.838 2.892 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1C ZINC000433378488 559879159 /nfs/dbraw/zinc/87/91/59/559879159.db2.gz PYANZHQCUVHZKN-UHFFFAOYSA-N -1 1 352.416 2.210 20 0 FEADMM COc1cc(NC(=O)CCC(=O)OC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000434061206 559893489 /nfs/dbraw/zinc/89/34/89/559893489.db2.gz CYMGHFSHQBNWGE-UHFFFAOYSA-N -1 1 372.443 2.127 20 0 FEADMM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c2c1 ZINC000434085945 559893944 /nfs/dbraw/zinc/89/39/44/559893944.db2.gz XUFOLBJMYOANDD-UHFFFAOYSA-N -1 1 371.422 2.195 20 0 FEADMM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)c2c1 ZINC000434085945 559893945 /nfs/dbraw/zinc/89/39/45/559893945.db2.gz XUFOLBJMYOANDD-UHFFFAOYSA-N -1 1 371.422 2.195 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H]3CC3(C)C)c2)n1 ZINC000434182803 559895342 /nfs/dbraw/zinc/89/53/42/559895342.db2.gz LMJKXTGDJUNYNW-AWEZNQCLSA-N -1 1 371.441 2.494 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000434965061 559913429 /nfs/dbraw/zinc/91/34/29/559913429.db2.gz CURXWDKYDNFGSB-UHFFFAOYSA-N -1 1 356.407 2.237 20 0 FEADMM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS(=O)(=O)c1ncn[n-]1 ZINC000435882443 559931750 /nfs/dbraw/zinc/93/17/50/559931750.db2.gz YRKXQOCPJLWDGR-UHFFFAOYSA-N -1 1 365.846 2.294 20 0 FEADMM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS(=O)(=O)c1nc[n-]n1 ZINC000435882443 559931751 /nfs/dbraw/zinc/93/17/51/559931751.db2.gz YRKXQOCPJLWDGR-UHFFFAOYSA-N -1 1 365.846 2.294 20 0 FEADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000436159936 559936511 /nfs/dbraw/zinc/93/65/11/559936511.db2.gz JPIJIFWFQOAYBZ-UHFFFAOYSA-N -1 1 370.434 2.468 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(CCNC(C)=O)s2)n1 ZINC000436196467 559937283 /nfs/dbraw/zinc/93/72/83/559937283.db2.gz HPJRMAKAHIHLLL-UHFFFAOYSA-N -1 1 365.480 2.460 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1nnc([C@H]2CCCO2)o1 ZINC000436236258 559938131 /nfs/dbraw/zinc/93/81/31/559938131.db2.gz BLZOJZXRXGHLCJ-SNVBAGLBSA-N -1 1 363.399 2.025 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1cncc(Cl)c1 ZINC000436475435 559942435 /nfs/dbraw/zinc/94/24/35/559942435.db2.gz GQNUKPVSIXSELV-UHFFFAOYSA-N -1 1 353.766 2.460 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCCNC(=O)c2ccc(F)cc2)c1 ZINC000436503428 559943571 /nfs/dbraw/zinc/94/35/71/559943571.db2.gz HMYPOWCRCRXMBM-UHFFFAOYSA-N -1 1 374.368 2.467 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)c1 ZINC000436512267 559943832 /nfs/dbraw/zinc/94/38/32/559943832.db2.gz JFSVSUJGCIJHFN-GFCCVEGCSA-N -1 1 356.378 2.244 20 0 FEADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1c([O-])cccc1F ZINC000436512184 559943848 /nfs/dbraw/zinc/94/38/48/559943848.db2.gz JXXCSAOMJIHFAZ-FMKPAKJESA-N -1 1 354.381 2.418 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000436511446 559943856 /nfs/dbraw/zinc/94/38/56/559943856.db2.gz WFYJSVMHJINTJL-UHFFFAOYSA-N -1 1 358.375 2.475 20 0 FEADMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)nnn1-c1ccn(C)n1 ZINC000436520057 559944003 /nfs/dbraw/zinc/94/40/03/559944003.db2.gz BZPICVBZWMGBNJ-UHFFFAOYSA-N -1 1 357.761 2.385 20 0 FEADMM COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1ccc([O-])cc1F ZINC000436536416 559944726 /nfs/dbraw/zinc/94/47/26/559944726.db2.gz QBQMMZRMDZBUEK-UHFFFAOYSA-N -1 1 353.371 2.337 20 0 FEADMM O=C(NCCc1nnnn1-c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436621825 559946856 /nfs/dbraw/zinc/94/68/56/559946856.db2.gz YHLGCWZFQFQRNX-UHFFFAOYSA-N -1 1 359.389 2.494 20 0 FEADMM COc1ccc(CNC(=O)c2ccc(Br)cc2[O-])c(OC)n1 ZINC000436619491 559946930 /nfs/dbraw/zinc/94/69/30/559946930.db2.gz RIIVQLBQMDSNML-UHFFFAOYSA-N -1 1 367.199 2.497 20 0 FEADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436688102 559949017 /nfs/dbraw/zinc/94/90/17/559949017.db2.gz NJCPPXFNEUIYOA-UHFFFAOYSA-N -1 1 352.350 2.443 20 0 FEADMM CC(C)(NC(=O)C(=O)c1ccc([O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000436707748 559949558 /nfs/dbraw/zinc/94/95/58/559949558.db2.gz YOWLRPMIKBTFJH-UHFFFAOYSA-N -1 1 350.378 2.207 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000436711040 559949680 /nfs/dbraw/zinc/94/96/80/559949680.db2.gz CLALDHQIJHRDRG-DTWKUNHWSA-N -1 1 366.418 2.338 20 0 FEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccnc2OC(C)C)c1 ZINC000436725951 559950228 /nfs/dbraw/zinc/95/02/28/559950228.db2.gz SZLQPMHJLAUHSS-UHFFFAOYSA-N -1 1 366.395 2.382 20 0 FEADMM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000436744252 559950882 /nfs/dbraw/zinc/95/08/82/559950882.db2.gz KUPGFJJIXSOFLH-LFPIHBKWSA-N -1 1 367.858 2.208 20 0 FEADMM NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436762533 559951257 /nfs/dbraw/zinc/95/12/57/559951257.db2.gz GABCKZLJZLSGHJ-UHFFFAOYSA-N -1 1 374.340 2.452 20 0 FEADMM O=C(N[C@H]1C[C@@H]1C(F)F)c1cc(I)ccc1[O-] ZINC000436773925 559951480 /nfs/dbraw/zinc/95/14/80/559951480.db2.gz LASJJFWIWDHMNG-XPUUQOCRSA-N -1 1 353.106 2.380 20 0 FEADMM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C[C@H](C)S1(=O)=O ZINC000436794199 559952173 /nfs/dbraw/zinc/95/21/73/559952173.db2.gz ULADBOBQALHRFF-GXSJLCMTSA-N -1 1 361.847 2.092 20 0 FEADMM COCCN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCO[C@H]1C ZINC000436821823 559953005 /nfs/dbraw/zinc/95/30/05/559953005.db2.gz MKDFXJTZCAFWOZ-GXFFZTMASA-N -1 1 358.232 2.421 20 0 FEADMM Cn1nnc2cc(C(=O)Nc3n[nH]c(-c4ccc([O-])c(Cl)c4)n3)ccc21 ZINC000436909911 559955966 /nfs/dbraw/zinc/95/59/66/559955966.db2.gz BGJFDSLPLBHWAM-UHFFFAOYSA-N -1 1 369.772 2.365 20 0 FEADMM Cn1nnc2cc(C(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)ccc21 ZINC000436909911 559955967 /nfs/dbraw/zinc/95/59/67/559955967.db2.gz BGJFDSLPLBHWAM-UHFFFAOYSA-N -1 1 369.772 2.365 20 0 FEADMM O=C(C(=O)N1CCN(c2ccc3ccccc3n2)CC1)c1ccc([O-])cc1 ZINC000436913513 559956255 /nfs/dbraw/zinc/95/62/55/559956255.db2.gz YNNYBALOYHOMMN-UHFFFAOYSA-N -1 1 361.401 2.472 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)c([O-])c1 ZINC000436919120 559956371 /nfs/dbraw/zinc/95/63/71/559956371.db2.gz BEIZIQRMIQYHAO-UHFFFAOYSA-N -1 1 355.350 2.018 20 0 FEADMM COc1cc(/C=C/c2cc(=O)n3[n-]cnc3n2)c(Br)cc1O ZINC000436931563 559956814 /nfs/dbraw/zinc/95/68/14/559956814.db2.gz KEXWWLCMWVXPBT-NSCUHMNNSA-N -1 1 363.171 2.065 20 0 FEADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000436943114 559957135 /nfs/dbraw/zinc/95/71/35/559957135.db2.gz YPOILITVWLFGPP-LBPRGKRZSA-N -1 1 351.362 2.426 20 0 FEADMM CCCCOc1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c([O-])c1 ZINC000436974515 559958072 /nfs/dbraw/zinc/95/80/72/559958072.db2.gz ZFGRYMXTKGWMBF-UHFFFAOYSA-N -1 1 372.425 2.299 20 0 FEADMM O=C(NCCOc1ncccc1C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000436973328 559958130 /nfs/dbraw/zinc/95/81/30/559958130.db2.gz SZOKZCRYGGLKBN-UHFFFAOYSA-N -1 1 354.284 2.184 20 0 FEADMM O=C(NCCNc1ccc(-c2ccccc2)nn1)c1c([O-])cccc1F ZINC000436993149 559958921 /nfs/dbraw/zinc/95/89/21/559958921.db2.gz YWMKNYYTEOOUQA-UHFFFAOYSA-N -1 1 352.369 2.830 20 0 FEADMM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000438034440 559973177 /nfs/dbraw/zinc/97/31/77/559973177.db2.gz LUQLCXDMRPDOFI-GDBMZVCRSA-N -1 1 363.458 2.007 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000438455922 559979251 /nfs/dbraw/zinc/97/92/51/559979251.db2.gz DAYNHJRKQJIZQM-NXEZZACHSA-N -1 1 368.377 2.286 20 0 FEADMM CCOCCN1CCN(C(=O)N=c2[n-]nc(SCC)s2)C[C@@H]1CC ZINC000439233115 559990515 /nfs/dbraw/zinc/99/05/15/559990515.db2.gz CZWYKIXWHWMLSC-LBPRGKRZSA-N -1 1 373.548 2.615 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1cnc2nc(C)ccc2c1[O-])c1ccccc1 ZINC000440138219 560005516 /nfs/dbraw/zinc/00/55/16/560005516.db2.gz QBPFZDXQGHPGCV-HNNXBMFYSA-N -1 1 365.389 2.330 20 0 FEADMM COC(=O)[C@@H](CNC(=O)c1c[n-]c2nc(C)ccc2c1=O)c1ccccc1 ZINC000440138219 560005517 /nfs/dbraw/zinc/00/55/17/560005517.db2.gz QBPFZDXQGHPGCV-HNNXBMFYSA-N -1 1 365.389 2.330 20 0 FEADMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cncn4)nc3)ccc2O1 ZINC000440282630 560008118 /nfs/dbraw/zinc/00/81/18/560008118.db2.gz MGDMOUJXUNDTRS-UHFFFAOYSA-N -1 1 371.422 2.177 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1 ZINC000442220858 560046343 /nfs/dbraw/zinc/04/63/43/560046343.db2.gz QIVBMECOPGFXOR-UHFFFAOYSA-N -1 1 374.422 2.062 20 0 FEADMM COC(=O)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1cccc(O)c1 ZINC000443058797 560068501 /nfs/dbraw/zinc/06/85/01/560068501.db2.gz OHZIGOOPWRCTNU-CQSZACIVSA-N -1 1 365.769 2.404 20 0 FEADMM O=C1CCN1c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000443092659 560070263 /nfs/dbraw/zinc/07/02/63/560070263.db2.gz KICYNVYYDVQBIN-UHFFFAOYSA-N -1 1 352.362 2.180 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000443265239 560076808 /nfs/dbraw/zinc/07/68/08/560076808.db2.gz AJHDWOZRDGQWBQ-RDDDGLTNSA-N -1 1 374.673 2.323 20 0 FEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1 ZINC000443407521 560083337 /nfs/dbraw/zinc/08/33/37/560083337.db2.gz DQRAVODFHXLCLW-UHFFFAOYSA-N -1 1 370.452 2.258 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)N1CCCC1 ZINC000528561164 562336504 /nfs/dbraw/zinc/33/65/04/562336504.db2.gz QVWCHFFQWVKYGM-UHFFFAOYSA-N -1 1 362.854 2.406 20 0 FEADMM COCC[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOC1 ZINC000445068867 560127912 /nfs/dbraw/zinc/12/79/12/560127912.db2.gz YQDYYKZCJGGUKO-ZDUSSCGKSA-N -1 1 354.255 2.467 20 0 FEADMM O=S(=O)(NCCc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000445482369 560132491 /nfs/dbraw/zinc/13/24/91/560132491.db2.gz OWBBUZLKUWMROO-UHFFFAOYSA-N -1 1 363.370 2.102 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)cc1F ZINC000447267884 560159127 /nfs/dbraw/zinc/15/91/27/560159127.db2.gz QZUPCFZUXWTWCC-UHFFFAOYSA-N -1 1 362.382 2.487 20 0 FEADMM Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1 ZINC000447478647 560162964 /nfs/dbraw/zinc/16/29/64/560162964.db2.gz GBHPTISEZXXSMP-LLVKDONJSA-N -1 1 350.444 2.212 20 0 FEADMM Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c1 ZINC000447478647 560162965 /nfs/dbraw/zinc/16/29/65/560162965.db2.gz GBHPTISEZXXSMP-LLVKDONJSA-N -1 1 350.444 2.212 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cnccc3C)c2)n1 ZINC000447676720 560166438 /nfs/dbraw/zinc/16/64/38/560166438.db2.gz GCONAMIQYZHTOP-UHFFFAOYSA-N -1 1 365.393 2.282 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(C)n3C)c2)n1 ZINC000447675237 560166570 /nfs/dbraw/zinc/16/65/70/560166570.db2.gz LUMIOHXDIAEXSA-UHFFFAOYSA-N -1 1 367.409 2.225 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC3(OC)CCC3)c2)n1 ZINC000447684644 560166919 /nfs/dbraw/zinc/16/69/19/560166919.db2.gz CJTSHMKTUWVZSC-UHFFFAOYSA-N -1 1 372.425 2.224 20 0 FEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448180242 560179897 /nfs/dbraw/zinc/17/98/97/560179897.db2.gz MCOSKGCMLCEXJH-OAHLLOKOSA-N -1 1 372.462 2.231 20 0 FEADMM COc1cc(NC(=O)c2cc(C)n(C(C)C)n2)ccc1[N-]S(C)(=O)=O ZINC000448680590 560193883 /nfs/dbraw/zinc/19/38/83/560193883.db2.gz JDRCQZNHPQPXCF-UHFFFAOYSA-N -1 1 366.443 2.405 20 0 FEADMM CCOC(=O)c1csc(=NC2CCN(c3cc(C)nc(C)n3)CC2)[n-]1 ZINC000450370970 560260477 /nfs/dbraw/zinc/26/04/77/560260477.db2.gz CQJBSCTWTYVJBZ-UHFFFAOYSA-N -1 1 361.471 2.808 20 0 FEADMM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451052349 560284781 /nfs/dbraw/zinc/28/47/81/560284781.db2.gz AUPQSHYEYXGBJE-UHFFFAOYSA-N -1 1 356.419 2.499 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c(C)c1 ZINC000451117361 560288044 /nfs/dbraw/zinc/28/80/44/560288044.db2.gz UESDDVGJLBYBPP-UHFFFAOYSA-N -1 1 350.444 2.358 20 0 FEADMM CCN(CC)CCS(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000451619657 560317563 /nfs/dbraw/zinc/31/75/63/560317563.db2.gz JWXXXMKRBUJTIV-SNVBAGLBSA-N -1 1 359.439 2.316 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(C)(F)F ZINC000451692590 560322255 /nfs/dbraw/zinc/32/22/55/560322255.db2.gz UWHRHUSXJWWSLM-SECBINFHSA-N -1 1 366.817 2.128 20 0 FEADMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000451787246 560328456 /nfs/dbraw/zinc/32/84/56/560328456.db2.gz IPHDVNLSTZBFNM-WCBMZHEXSA-N -1 1 372.245 2.462 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCCC2CCOCC2)c(=O)[n-]1 ZINC000452206008 560355498 /nfs/dbraw/zinc/35/54/98/560355498.db2.gz BIDPHCNZBUIHKY-UHFFFAOYSA-N -1 1 353.488 2.468 20 0 FEADMM CC[C@@H](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)OC ZINC000452413073 560363921 /nfs/dbraw/zinc/36/39/21/560363921.db2.gz XDSJOTDCWULTPT-YPMHNXCESA-N -1 1 360.476 2.147 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)Cc1cccc(F)c1 ZINC000452651655 560370264 /nfs/dbraw/zinc/37/02/64/560370264.db2.gz AGMWZNFASGWMCV-CQSZACIVSA-N -1 1 361.417 2.261 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000453034010 560381772 /nfs/dbraw/zinc/38/17/72/560381772.db2.gz UNPGIFXTQUWSOQ-ZKYQVNSYSA-N -1 1 370.243 2.157 20 0 FEADMM CCC1(CNC(=O)c2ccc(I)c([O-])c2)COC1 ZINC000456492524 560522379 /nfs/dbraw/zinc/52/23/79/560522379.db2.gz RVACLAQKBWRWEW-UHFFFAOYSA-N -1 1 361.179 2.153 20 0 FEADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000456794502 560533106 /nfs/dbraw/zinc/53/31/06/560533106.db2.gz QXJBMGKLUBFRNP-OPRDCNLKSA-N -1 1 352.337 2.173 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc(OC)c1 ZINC000460421835 560743531 /nfs/dbraw/zinc/74/35/31/560743531.db2.gz FHIHSVHFOPPQKT-UHFFFAOYSA-N -1 1 364.423 2.487 20 0 FEADMM CCO[C@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461462741 560772443 /nfs/dbraw/zinc/77/24/43/560772443.db2.gz AALSZVWBCNJWJV-INIZCTEOSA-N -1 1 364.423 2.017 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000461464976 560772630 /nfs/dbraw/zinc/77/26/30/560772630.db2.gz SSVTWBSYERBIEI-UHFFFAOYSA-N -1 1 373.390 2.208 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3cccc(C)c23)c1 ZINC000461465303 560772850 /nfs/dbraw/zinc/77/28/50/560772850.db2.gz OMDGCGFETBHSDA-UHFFFAOYSA-N -1 1 373.434 2.271 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC000461465869 560773179 /nfs/dbraw/zinc/77/31/79/560773179.db2.gz GMRDPNDODADNIV-UHFFFAOYSA-N -1 1 366.414 2.356 20 0 FEADMM CC(C)(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nn[n-]n1 ZINC000461634202 560778194 /nfs/dbraw/zinc/77/81/94/560778194.db2.gz HOIDUWRMXIRCHI-UHFFFAOYSA-N -1 1 362.340 2.117 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1C ZINC000462101142 560797222 /nfs/dbraw/zinc/79/72/22/560797222.db2.gz KGYGNWMVYOZINX-QHCPKHFHSA-N -1 1 367.448 2.320 20 0 FEADMM COCCCN(C)CCNS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462108326 560797635 /nfs/dbraw/zinc/79/76/35/560797635.db2.gz FAKGQOSYSFKJRG-UHFFFAOYSA-N -1 1 360.423 2.014 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C)c1ccc(OC)cc1 ZINC000462282890 560804273 /nfs/dbraw/zinc/80/42/73/560804273.db2.gz XYEBMBOKAMTAOT-INIZCTEOSA-N -1 1 367.398 2.335 20 0 FEADMM Cc1cc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)ccn1 ZINC000464170169 560834654 /nfs/dbraw/zinc/83/46/54/560834654.db2.gz PZUKDBPXZLKBBB-UHFFFAOYSA-N -1 1 351.428 2.336 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N(C)C)oc3c2)cc1C(N)=O ZINC000464913330 560854820 /nfs/dbraw/zinc/85/48/20/560854820.db2.gz RSGLOVHFTZKRMW-UHFFFAOYSA-N -1 1 374.422 2.102 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000466284316 560883572 /nfs/dbraw/zinc/88/35/72/560883572.db2.gz AJFNTCVFVJKNAA-UHFFFAOYSA-N -1 1 363.317 2.253 20 0 FEADMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(CC(C)C)n[nH]3)cc2oc1=O ZINC000467020743 560901781 /nfs/dbraw/zinc/90/17/81/560901781.db2.gz GZYHNTWNEBDMAD-UHFFFAOYSA-N -1 1 364.427 2.337 20 0 FEADMM O=C(NCc1ccncc1OCC(F)(F)F)c1csc(=NC2CC2)[n-]1 ZINC000467771652 560916979 /nfs/dbraw/zinc/91/69/79/560916979.db2.gz RRCAUCDHYASYOB-UHFFFAOYSA-N -1 1 372.372 2.984 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3cccc(-c4cscn4)c3)CC2)s[n-]1 ZINC000467865465 560919039 /nfs/dbraw/zinc/91/90/39/560919039.db2.gz USBUGXITMLAUQY-UHFFFAOYSA-N -1 1 372.479 2.206 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(C(F)F)c2)c1 ZINC000468428723 560929694 /nfs/dbraw/zinc/92/96/94/560929694.db2.gz SFHXVVJJSQVCIT-UHFFFAOYSA-N -1 1 356.350 2.158 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1C)c1ccsc1 ZINC000468863846 560940682 /nfs/dbraw/zinc/94/06/82/560940682.db2.gz GYPYMDKRQZGUCK-CQSZACIVSA-N -1 1 355.437 2.258 20 0 FEADMM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000469248900 560950959 /nfs/dbraw/zinc/95/09/59/560950959.db2.gz UUENEHRAYJSKEI-UHFFFAOYSA-N -1 1 352.343 2.069 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)s1 ZINC000469990008 560970856 /nfs/dbraw/zinc/97/08/56/560970856.db2.gz IGBRFNJUQRBGPI-UHFFFAOYSA-N -1 1 359.429 2.191 20 0 FEADMM O=C(CCc1ncc(-c2ccccc2Cl)o1)NC1(c2nn[n-]n2)CC1 ZINC000470974663 560995685 /nfs/dbraw/zinc/99/56/85/560995685.db2.gz KAQXKBQDMWXCPN-UHFFFAOYSA-N -1 1 358.789 2.246 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC000471121717 560998679 /nfs/dbraw/zinc/99/86/79/560998679.db2.gz SVQOSZJPGUKONR-UHFFFAOYSA-N -1 1 355.437 2.295 20 0 FEADMM CS(=O)(=O)c1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Cl ZINC000471573127 561007570 /nfs/dbraw/zinc/00/75/70/561007570.db2.gz JPPCHPGKTIEVTM-NSHDSACASA-N -1 1 367.876 2.054 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000471592143 561008066 /nfs/dbraw/zinc/00/80/66/561008066.db2.gz BXHVZZPFHUBADE-UHFFFAOYSA-N -1 1 359.400 2.039 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)ccc1F ZINC000471618726 561009012 /nfs/dbraw/zinc/00/90/12/561009012.db2.gz CSZIPRZMUSYSJN-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccnn1CC)c1cccc(C)c1C ZINC000472753987 561034505 /nfs/dbraw/zinc/03/45/05/561034505.db2.gz QXGVFHIYIHBDHI-MRXNPFEDSA-N -1 1 365.455 2.103 20 0 FEADMM C[C@H]1C[C@H](O)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472998796 561039851 /nfs/dbraw/zinc/03/98/51/561039851.db2.gz ITXFEDBKZGLHRW-BBRMVZONSA-N -1 1 360.435 2.083 20 0 FEADMM CC(=O)CC(C)(C)CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000473030204 561040686 /nfs/dbraw/zinc/04/06/86/561040686.db2.gz WJHSEVQVNQZFTD-UHFFFAOYSA-N -1 1 368.455 2.167 20 0 FEADMM COCCCC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000473513321 561051590 /nfs/dbraw/zinc/05/15/90/561051590.db2.gz NEUIUSAUXVKMRN-INIZCTEOSA-N -1 1 371.437 2.191 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000474322778 561071143 /nfs/dbraw/zinc/07/11/43/561071143.db2.gz HAEMCGPIHNUSRZ-QMMMGPOBSA-N -1 1 374.422 2.034 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000474322610 561071238 /nfs/dbraw/zinc/07/12/38/561071238.db2.gz QQVZJEBLAXUEAR-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM COc1ncc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C(N)=O ZINC000474390351 561072978 /nfs/dbraw/zinc/07/29/78/561072978.db2.gz JXFMJIUPTSOOOG-UHFFFAOYSA-N -1 1 363.439 2.224 20 0 FEADMM Cc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1NC(=O)NC(C)(C)C ZINC000475002998 561087436 /nfs/dbraw/zinc/08/74/36/561087436.db2.gz UYWZRHNAEUKUFT-UHFFFAOYSA-N -1 1 359.434 2.093 20 0 FEADMM CCCSc1nc(=NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)s[n-]1 ZINC000476482814 561120545 /nfs/dbraw/zinc/12/05/45/561120545.db2.gz NMTBLYRLJVDRKY-VXGBXAGGSA-N -1 1 373.548 2.083 20 0 FEADMM Cc1ccc(Oc2ccc(OCC(=O)NC3(c4nn[n-]n4)CC3)cc2)cc1 ZINC000477052414 561135424 /nfs/dbraw/zinc/13/54/24/561135424.db2.gz TUEFVRQPRNQCNY-UHFFFAOYSA-N -1 1 365.393 2.485 20 0 FEADMM Cn1c(=O)oc2c1cccc2C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105029 561136753 /nfs/dbraw/zinc/13/67/53/561136753.db2.gz ALQYTEWWIIIAMJ-UHFFFAOYSA-N -1 1 350.334 2.480 20 0 FEADMM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1sc2ccccc2c1Cl ZINC000528484040 562331666 /nfs/dbraw/zinc/33/16/66/562331666.db2.gz HHRIJBVGFKVDOS-WDEREUQCSA-N -1 1 361.872 2.373 20 0 FEADMM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000528899369 562352120 /nfs/dbraw/zinc/35/21/20/562352120.db2.gz APRDFVJSNFNJLE-GOPGUHFVSA-N -1 1 364.467 2.407 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(O)cc(Br)c2)CCN1CC(C)(C)O ZINC000529124764 562361607 /nfs/dbraw/zinc/36/16/07/562361607.db2.gz SQODAONQHODWEN-NSHDSACASA-N -1 1 371.275 2.072 20 0 FEADMM CC[C@H](CCc1ccccc1)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000529802185 562385716 /nfs/dbraw/zinc/38/57/16/562385716.db2.gz ZHNCUWAIMVGRRO-OAHLLOKOSA-N -1 1 350.440 2.329 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000529891222 562389932 /nfs/dbraw/zinc/38/99/32/562389932.db2.gz XRCDOOGZWUVURE-UHFFFAOYSA-N -1 1 369.299 2.114 20 0 FEADMM C[C@]1(CO)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@]1(C)CO ZINC000529962763 562393078 /nfs/dbraw/zinc/39/30/78/562393078.db2.gz PDGLHDKTBRYLGP-HDICACEKSA-N -1 1 364.829 2.047 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000529989249 562393666 /nfs/dbraw/zinc/39/36/66/562393666.db2.gz ZVESWTRJIJAJHK-HEKSYOIISA-N -1 1 356.426 2.023 20 0 FEADMM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000530167105 562401005 /nfs/dbraw/zinc/40/10/05/562401005.db2.gz TXHHRVQPRUWUOF-SGTLLEGYSA-N -1 1 356.378 2.185 20 0 FEADMM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@@H](O)COc1ccccc1Cl ZINC000530167392 562401008 /nfs/dbraw/zinc/40/10/08/562401008.db2.gz APENQECZAWEHDH-BZNIZROVSA-N -1 1 351.786 2.357 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)c(F)c1 ZINC000530432773 562411025 /nfs/dbraw/zinc/41/10/25/562411025.db2.gz OFARRNUBULOEQM-UHFFFAOYSA-N -1 1 353.297 2.156 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c2cccnc12 ZINC000530568553 562416108 /nfs/dbraw/zinc/41/61/08/562416108.db2.gz AOHGAFHLROYRCO-UHFFFAOYSA-N -1 1 374.374 2.448 20 0 FEADMM CC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCOCC1 ZINC000530585596 562417039 /nfs/dbraw/zinc/41/70/39/562417039.db2.gz JNZAKZDJLKAEQU-KRWDZBQOSA-N -1 1 370.453 2.004 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1nnc2n1CCCCC2 ZINC000530860916 562426469 /nfs/dbraw/zinc/42/64/69/562426469.db2.gz XQJCCWXHPBSUIU-UHFFFAOYSA-N -1 1 372.473 2.378 20 0 FEADMM Cc1[nH]c2ccc(C(=O)N3CCN(c4nc(=N)[n-]s4)CC3)cc2c1C ZINC000531006111 562431722 /nfs/dbraw/zinc/43/17/22/562431722.db2.gz YTKNMQUUZYFWLC-UHFFFAOYSA-N -1 1 356.455 2.181 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc2n1C ZINC000531199240 562438067 /nfs/dbraw/zinc/43/80/67/562438067.db2.gz LUVYBJJNWAYOJG-UHFFFAOYSA-N -1 1 372.406 2.127 20 0 FEADMM NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000531686883 562454086 /nfs/dbraw/zinc/45/40/86/562454086.db2.gz KJVWOLVAKRMVGO-RQJHMYQMSA-N -1 1 357.284 2.377 20 0 FEADMM COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000531780800 562456404 /nfs/dbraw/zinc/45/64/04/562456404.db2.gz OVTCNVLQBHDRGB-UHFFFAOYSA-N -1 1 355.343 2.342 20 0 FEADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000532267191 562472147 /nfs/dbraw/zinc/47/21/47/562472147.db2.gz JZWKCIUKNXZBPY-UHFFFAOYSA-N -1 1 350.371 2.324 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)o1 ZINC000532879442 562491633 /nfs/dbraw/zinc/49/16/33/562491633.db2.gz HTFKCKQANFUUQL-ZCFIWIBFSA-N -1 1 364.196 2.319 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2SCC(N)=O)c1 ZINC000533654810 562515494 /nfs/dbraw/zinc/51/54/94/562515494.db2.gz JUZTWIQKRFCPOU-UHFFFAOYSA-N -1 1 359.407 2.180 20 0 FEADMM CCSc1ccccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540804343 562593484 /nfs/dbraw/zinc/59/34/84/562593484.db2.gz AYXSEKAKIPNBDD-UHFFFAOYSA-N -1 1 352.437 2.404 20 0 FEADMM CC[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccc(OC)cc1 ZINC000540804831 562593561 /nfs/dbraw/zinc/59/35/61/562593561.db2.gz PQFBCSYISOPPSV-CQSZACIVSA-N -1 1 364.423 2.181 20 0 FEADMM C[C@H](O)C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000541241151 562607036 /nfs/dbraw/zinc/60/70/36/562607036.db2.gz ILGGNXPRGADCNQ-KBPBESRZSA-N -1 1 362.451 2.377 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cn1 ZINC000541825561 562620595 /nfs/dbraw/zinc/62/05/95/562620595.db2.gz KELQNLHPQLEFTO-LLVKDONJSA-N -1 1 354.350 2.124 20 0 FEADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546149546 562634350 /nfs/dbraw/zinc/63/43/50/562634350.db2.gz ZTFMKUFFUCNNGP-ZDUSSCGKSA-N -1 1 366.425 2.357 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccnc(OC(C)C)c3)no2)co1 ZINC000546382786 562636614 /nfs/dbraw/zinc/63/66/14/562636614.db2.gz XSUOBJNMTVWAFV-UHFFFAOYSA-N -1 1 364.383 2.087 20 0 FEADMM O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000550121679 562643021 /nfs/dbraw/zinc/64/30/21/562643021.db2.gz CHEJDSVZMLFICJ-HNNXBMFYSA-N -1 1 367.409 2.300 20 0 FEADMM COc1cc(C(=O)NCCOCC(=O)OC(C)(C)C)cc(Cl)c1[O-] ZINC000601753690 567835931 /nfs/dbraw/zinc/83/59/31/567835931.db2.gz RIBBPJMAYWCLQF-UHFFFAOYSA-N -1 1 359.806 2.142 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)CCOCC2CCC2)c1F ZINC000601976094 567893907 /nfs/dbraw/zinc/89/39/07/567893907.db2.gz DKDNCLIQTAYVOZ-UHFFFAOYSA-N -1 1 363.382 2.310 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)n[n-]1 ZINC000603152540 568065173 /nfs/dbraw/zinc/06/51/73/568065173.db2.gz DKHZXSUVYADFRU-WDGYITBISA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)[n-]1 ZINC000603152540 568065174 /nfs/dbraw/zinc/06/51/74/568065174.db2.gz DKHZXSUVYADFRU-WDGYITBISA-N -1 1 374.828 2.398 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)n1 ZINC000603152540 568065175 /nfs/dbraw/zinc/06/51/75/568065175.db2.gz DKHZXSUVYADFRU-WDGYITBISA-N -1 1 374.828 2.398 20 0 FEADMM Cc1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n[nH]1 ZINC000603487348 568106405 /nfs/dbraw/zinc/10/64/05/568106405.db2.gz KQAAXXDQLKKELO-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[nH]n1 ZINC000603487348 568106406 /nfs/dbraw/zinc/10/64/06/568106406.db2.gz KQAAXXDQLKKELO-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cn1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000737611801 598834406 /nfs/dbraw/zinc/83/44/06/598834406.db2.gz HWONFSIUYKEAQU-UHFFFAOYSA-N -1 1 365.422 2.259 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736117810 598848240 /nfs/dbraw/zinc/84/82/40/598848240.db2.gz HABMWWLYMJRHGF-NSHDSACASA-N -1 1 361.365 2.408 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736117810 598848241 /nfs/dbraw/zinc/84/82/41/598848241.db2.gz HABMWWLYMJRHGF-NSHDSACASA-N -1 1 361.365 2.408 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(Cl)cc1Br ZINC000738370497 598872171 /nfs/dbraw/zinc/87/21/71/598872171.db2.gz DIOZMMHEAYDOJJ-UHFFFAOYSA-N -1 1 366.606 2.493 20 0 FEADMM CN(CC1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736793829 598874082 /nfs/dbraw/zinc/87/40/82/598874082.db2.gz MEJSIAIIQOLWII-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CN(CC1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736793829 598874083 /nfs/dbraw/zinc/87/40/83/598874083.db2.gz MEJSIAIIQOLWII-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM C[C@@H]1NC(=S)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000736296941 598887603 /nfs/dbraw/zinc/88/76/03/598887603.db2.gz KXVZMLRUTQGISJ-VIFPVBQESA-N -1 1 370.463 2.200 20 0 FEADMM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OCC ZINC000736645911 598981870 /nfs/dbraw/zinc/98/18/70/598981870.db2.gz AMHWUOVKERWLOR-UHFFFAOYSA-N -1 1 354.370 2.311 20 0 FEADMM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OCC ZINC000736645911 598981872 /nfs/dbraw/zinc/98/18/72/598981872.db2.gz AMHWUOVKERWLOR-UHFFFAOYSA-N -1 1 354.370 2.311 20 0 FEADMM CN(CCOc1ccccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736804585 598984672 /nfs/dbraw/zinc/98/46/72/598984672.db2.gz RERWYXKQMNXRDI-UHFFFAOYSA-N -1 1 358.789 2.066 20 0 FEADMM CN(CCOc1ccccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736804585 598984675 /nfs/dbraw/zinc/98/46/75/598984675.db2.gz RERWYXKQMNXRDI-UHFFFAOYSA-N -1 1 358.789 2.066 20 0 FEADMM O=C(NCc1csc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738125183 598993306 /nfs/dbraw/zinc/99/33/06/598993306.db2.gz XBTQVRCTBYYJKD-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM O=C(NCc1csc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738125183 598993307 /nfs/dbraw/zinc/99/33/07/598993307.db2.gz XBTQVRCTBYYJKD-UHFFFAOYSA-N -1 1 365.216 2.016 20 0 FEADMM Cn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737595564 598998806 /nfs/dbraw/zinc/99/88/06/598998806.db2.gz HXVZVVVZADITSO-UHFFFAOYSA-N -1 1 354.761 2.054 20 0 FEADMM Cn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737595564 598998807 /nfs/dbraw/zinc/99/88/07/598998807.db2.gz HXVZVVVZADITSO-UHFFFAOYSA-N -1 1 354.761 2.054 20 0 FEADMM CCO[C@H](C)c1noc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000821346435 599072360 /nfs/dbraw/zinc/07/23/60/599072360.db2.gz JAPIYIILVCDVTA-ZCFIWIBFSA-N -1 1 370.826 2.094 20 0 FEADMM CCO[C@H](C)c1noc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000821346435 599072362 /nfs/dbraw/zinc/07/23/62/599072362.db2.gz JAPIYIILVCDVTA-ZCFIWIBFSA-N -1 1 370.826 2.094 20 0 FEADMM O=C(c1cccc(OCC(F)(F)F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000556696756 674413551 /nfs/dbraw/zinc/41/35/51/674413551.db2.gz RABPPUHTHBQFMX-NSHDSACASA-N -1 1 355.320 2.161 20 0 FEADMM COC(C)(C)C[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736959137 599212323 /nfs/dbraw/zinc/21/23/23/599212323.db2.gz ZYNZZKDQQLYHQC-NSHDSACASA-N -1 1 372.429 2.492 20 0 FEADMM COC(C)(C)C[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736959137 599212324 /nfs/dbraw/zinc/21/23/24/599212324.db2.gz ZYNZZKDQQLYHQC-NSHDSACASA-N -1 1 372.429 2.492 20 0 FEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000676233071 597071248 /nfs/dbraw/zinc/07/12/48/597071248.db2.gz NCTRHSNADRFZGF-KBPBESRZSA-N -1 1 364.442 2.068 20 0 FEADMM O=C(CCc1ccc(-c2ccccc2)[nH]1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737853264 599252510 /nfs/dbraw/zinc/25/25/10/599252510.db2.gz SBJOWMXDUBDUMV-UHFFFAOYSA-N -1 1 359.393 2.250 20 0 FEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1)N1CCOCC1 ZINC000823493583 607312847 /nfs/dbraw/zinc/31/28/47/607312847.db2.gz RAHMZBKJXUKITB-UHFFFAOYSA-N -1 1 370.438 2.013 20 0 FEADMM COC(=O)[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736900115 599278526 /nfs/dbraw/zinc/27/85/26/599278526.db2.gz CPKGVEUWADFFSH-LLVKDONJSA-N -1 1 362.342 2.138 20 0 FEADMM O=C([O-])CCCCN1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000821516460 597812683 /nfs/dbraw/zinc/81/26/83/597812683.db2.gz USTMMXFUDQUCMD-IBGZPJMESA-N -1 1 373.497 2.050 20 0 FEADMM C[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707909 674424887 /nfs/dbraw/zinc/42/48/87/674424887.db2.gz DAMKXLVXNHRJSK-FMSGJZPZSA-N -1 1 350.381 2.107 20 0 FEADMM C[C@@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C1CCOCC1 ZINC000807708656 674424944 /nfs/dbraw/zinc/42/49/44/674424944.db2.gz LMWFFFXWZVVKSS-OPDFLTKYSA-N -1 1 364.408 2.353 20 0 FEADMM C[C@H]1CCN(C(=O)C2CCSCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707748 674424962 /nfs/dbraw/zinc/42/49/62/674424962.db2.gz ZUTJNUVTQNEZFS-NHCYSSNCSA-N -1 1 352.422 2.434 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000820842131 607328321 /nfs/dbraw/zinc/32/83/21/607328321.db2.gz KDBPNZOINYPJRK-UHFFFAOYSA-N -1 1 357.395 2.260 20 0 FEADMM CC(C)N(Cc1cc(Br)ccc1F)C(=O)CCc1nn[n-]n1 ZINC000630849929 676923842 /nfs/dbraw/zinc/92/38/42/676923842.db2.gz MWFCLQJKJLXFNP-UHFFFAOYSA-N -1 1 370.226 2.471 20 0 FEADMM COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)c(OC)c1 ZINC000820826848 598188331 /nfs/dbraw/zinc/18/83/31/598188331.db2.gz KDTUCEIXBZJQGZ-CRAIPNDOSA-N -1 1 364.442 2.066 20 0 FEADMM Cc1cccc2c1CC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737408994 598254209 /nfs/dbraw/zinc/25/42/09/598254209.db2.gz LMVQKVOPAOOARD-MRXNPFEDSA-N -1 1 373.413 2.280 20 0 FEADMM Cc1ccc(C(=O)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(C)c1 ZINC000737309215 598342607 /nfs/dbraw/zinc/34/26/07/598342607.db2.gz RWBMAWNHDMZRHC-UHFFFAOYSA-N -1 1 363.425 2.373 20 0 FEADMM Cc1ccc(C(=O)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(C)c1 ZINC000737309215 598342608 /nfs/dbraw/zinc/34/26/08/598342608.db2.gz RWBMAWNHDMZRHC-UHFFFAOYSA-N -1 1 363.425 2.373 20 0 FEADMM COc1ccc(CC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737087909 598351741 /nfs/dbraw/zinc/35/17/41/598351741.db2.gz PDXDDWJFZCMSDK-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM COc1ccc(CC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737087909 598351743 /nfs/dbraw/zinc/35/17/43/598351743.db2.gz PDXDDWJFZCMSDK-UHFFFAOYSA-N -1 1 351.414 2.124 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CCNc1nccnc1-c1nnn[n-]1 ZINC000737214933 598351787 /nfs/dbraw/zinc/35/17/87/598351787.db2.gz AVGFGVCDORJCBE-UHFFFAOYSA-N -1 1 358.793 2.059 20 0 FEADMM Cc1c(Cl)cccc1NC(=O)CCNc1nccnc1-c1nn[n-]n1 ZINC000737214933 598351789 /nfs/dbraw/zinc/35/17/89/598351789.db2.gz AVGFGVCDORJCBE-UHFFFAOYSA-N -1 1 358.793 2.059 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000737201299 598423250 /nfs/dbraw/zinc/42/32/50/598423250.db2.gz QYBNLFAYFMKMCK-LBPRGKRZSA-N -1 1 366.425 2.394 20 0 FEADMM Cc1cc(C)c2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737249436 598452275 /nfs/dbraw/zinc/45/22/75/598452275.db2.gz ZOKMXKMELMGBGI-UHFFFAOYSA-N -1 1 370.438 2.020 20 0 FEADMM Cc1cc(C)c2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737249436 598452276 /nfs/dbraw/zinc/45/22/76/598452276.db2.gz ZOKMXKMELMGBGI-UHFFFAOYSA-N -1 1 370.438 2.020 20 0 FEADMM CC(C)c1nc2c(n1C)CCN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000735942452 598546514 /nfs/dbraw/zinc/54/65/14/598546514.db2.gz JVBSRRNTAXORED-UHFFFAOYSA-N -1 1 364.866 2.396 20 0 FEADMM CC(C)(C)OC(=O)NCc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000735639609 598675341 /nfs/dbraw/zinc/67/53/41/598675341.db2.gz JSRKDRPTOVBATJ-UHFFFAOYSA-N -1 1 368.401 2.425 20 0 FEADMM CC(C)(C)OC(=O)NCc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000735639609 598675343 /nfs/dbraw/zinc/67/53/43/598675343.db2.gz JSRKDRPTOVBATJ-UHFFFAOYSA-N -1 1 368.401 2.425 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736406550 598695797 /nfs/dbraw/zinc/69/57/97/598695797.db2.gz APIIFBSZAXSYFD-WCQYABFASA-N -1 1 370.413 2.198 20 0 FEADMM CC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736406550 598695799 /nfs/dbraw/zinc/69/57/99/598695799.db2.gz APIIFBSZAXSYFD-WCQYABFASA-N -1 1 370.413 2.198 20 0 FEADMM Cc1cccc(OC[C@@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737401625 598746518 /nfs/dbraw/zinc/74/65/18/598746518.db2.gz NQNDZWICPHYKJJ-NSHDSACASA-N -1 1 360.805 2.075 20 0 FEADMM Cc1cccc(OC[C@@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737401625 598746519 /nfs/dbraw/zinc/74/65/19/598746519.db2.gz NQNDZWICPHYKJJ-NSHDSACASA-N -1 1 360.805 2.075 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)ccc1F ZINC000808125743 674443038 /nfs/dbraw/zinc/44/30/38/674443038.db2.gz NFBREEDCLQPWQB-UHFFFAOYSA-N -1 1 365.338 2.084 20 0 FEADMM CCOc1cc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000557618061 674457419 /nfs/dbraw/zinc/45/74/19/674457419.db2.gz CXIDXDQHNCOXMB-SECBINFHSA-N -1 1 361.847 2.140 20 0 FEADMM CC(C)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820038712 599344030 /nfs/dbraw/zinc/34/40/30/599344030.db2.gz QHCOQDFTMKOOPF-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM CC(C)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820038712 599344033 /nfs/dbraw/zinc/34/40/33/599344033.db2.gz QHCOQDFTMKOOPF-LBPRGKRZSA-N -1 1 367.450 2.453 20 0 FEADMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)NC1=S ZINC000821496992 599378647 /nfs/dbraw/zinc/37/86/47/599378647.db2.gz NTNWCOVKONZMNA-FMIVXFBMSA-N -1 1 366.406 2.284 20 0 FEADMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)NC1=S ZINC000821496992 599378650 /nfs/dbraw/zinc/37/86/50/599378650.db2.gz NTNWCOVKONZMNA-FMIVXFBMSA-N -1 1 366.406 2.284 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2ccccc2F)CC1 ZINC000738258624 599379813 /nfs/dbraw/zinc/37/98/13/599379813.db2.gz JCYNKKWLUHNFBY-UHFFFAOYSA-N -1 1 352.373 2.421 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2ccccc2F)CC1 ZINC000738258624 599379816 /nfs/dbraw/zinc/37/98/16/599379816.db2.gz JCYNKKWLUHNFBY-UHFFFAOYSA-N -1 1 352.373 2.421 20 0 FEADMM Clc1ccc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)s1 ZINC000737577119 599397623 /nfs/dbraw/zinc/39/76/23/599397623.db2.gz SOENLEVJBFKNCL-UHFFFAOYSA-N -1 1 361.862 2.299 20 0 FEADMM CC(C)[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nc(-c2ccncc2)no1 ZINC000820025843 599424083 /nfs/dbraw/zinc/42/40/83/599424083.db2.gz DGGNWDMHICJPFA-CQSZACIVSA-N -1 1 366.385 2.392 20 0 FEADMM CC(C)[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nc(-c2ccncc2)no1 ZINC000820025843 599424086 /nfs/dbraw/zinc/42/40/86/599424086.db2.gz DGGNWDMHICJPFA-CQSZACIVSA-N -1 1 366.385 2.392 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736117614 599431596 /nfs/dbraw/zinc/43/15/96/599431596.db2.gz QQCZCZMMSNWJDA-LBPRGKRZSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736117614 599431598 /nfs/dbraw/zinc/43/15/98/599431598.db2.gz QQCZCZMMSNWJDA-LBPRGKRZSA-N -1 1 373.461 2.391 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000822004319 599548923 /nfs/dbraw/zinc/54/89/23/599548923.db2.gz FMYFTZYKZVEXSH-QWRGUYRKSA-N -1 1 358.446 2.164 20 0 FEADMM CN(CCNc1cc(-c2nnn[n-]2)nc2ccccc21)CC(F)(F)F ZINC000821602792 599553387 /nfs/dbraw/zinc/55/33/87/599553387.db2.gz VENPXEWZSYKDME-UHFFFAOYSA-N -1 1 351.336 2.321 20 0 FEADMM CN(CCNc1cc(-c2nn[n-]n2)nc2ccccc21)CC(F)(F)F ZINC000821602792 599553389 /nfs/dbraw/zinc/55/33/89/599553389.db2.gz VENPXEWZSYKDME-UHFFFAOYSA-N -1 1 351.336 2.321 20 0 FEADMM CNC(=O)c1cccc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000821636574 599569041 /nfs/dbraw/zinc/56/90/41/599569041.db2.gz VKAAGAZBIQENBZ-UHFFFAOYSA-N -1 1 373.420 2.429 20 0 FEADMM CNC(=O)c1cccc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000821636574 599569044 /nfs/dbraw/zinc/56/90/44/599569044.db2.gz VKAAGAZBIQENBZ-UHFFFAOYSA-N -1 1 373.420 2.429 20 0 FEADMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557786348 674466719 /nfs/dbraw/zinc/46/67/19/674466719.db2.gz HTXAVRRFGPQGHF-SECBINFHSA-N -1 1 366.386 2.482 20 0 FEADMM CC(C)(C(=O)NOCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000736224113 599923335 /nfs/dbraw/zinc/92/33/35/599923335.db2.gz WCBUNHCJNNAVBN-UHFFFAOYSA-N -1 1 356.378 2.349 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738873472 599983115 /nfs/dbraw/zinc/98/31/15/599983115.db2.gz UTWSBBBYFVSVFD-UHFFFAOYSA-N -1 1 358.329 2.070 20 0 FEADMM O=C([O-])CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC000738610205 600058571 /nfs/dbraw/zinc/05/85/71/600058571.db2.gz CRJHRSCCFZGWTJ-UHFFFAOYSA-N -1 1 354.771 2.174 20 0 FEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736806172 600065614 /nfs/dbraw/zinc/06/56/14/600065614.db2.gz CENBIKDQDBIFBS-GPMSIDNRSA-N -1 1 374.481 2.418 20 0 FEADMM CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000736484560 600132596 /nfs/dbraw/zinc/13/25/96/600132596.db2.gz GOZAMRNHCMGPIL-DZGCQCFKSA-N -1 1 362.426 2.375 20 0 FEADMM O=C([O-])CCc1nnc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)s1 ZINC000739777343 600269200 /nfs/dbraw/zinc/26/92/00/600269200.db2.gz OEELONLXGWLTTP-UHFFFAOYSA-N -1 1 361.358 2.337 20 0 FEADMM CN1CCN(C(C)(C)CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000737515562 600288098 /nfs/dbraw/zinc/28/80/98/600288098.db2.gz LFUSTQYQLIJURP-UHFFFAOYSA-N -1 1 368.865 2.186 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)Nc1ccc(N3CCCC3)cc1)CC2 ZINC000739278530 600288376 /nfs/dbraw/zinc/28/83/76/600288376.db2.gz ONSJLOLFAAWPJU-KRWDZBQOSA-N -1 1 357.454 2.412 20 0 FEADMM C[C@@H](c1ccccc1Br)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000736726178 600293444 /nfs/dbraw/zinc/29/34/44/600293444.db2.gz YXQGLXRSHMPDCC-NSHDSACASA-N -1 1 357.248 2.375 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738120130 600298442 /nfs/dbraw/zinc/29/84/42/600298442.db2.gz LOEDHNPNCGJYCS-LZWOXQAQSA-N -1 1 360.454 2.448 20 0 FEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCc1ccc(OC(F)F)cc1)CC2 ZINC000739278528 600302191 /nfs/dbraw/zinc/30/21/91/600302191.db2.gz ONPIQSDOUQRDCV-AWEZNQCLSA-N -1 1 368.380 2.091 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCCc1nc3ccccc3s1)CC2 ZINC000739279092 600310271 /nfs/dbraw/zinc/31/02/71/600310271.db2.gz RMIVJFZDWMSIQP-CYBMUJFWSA-N -1 1 373.478 2.142 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCN1CCOC ZINC000736940319 600337936 /nfs/dbraw/zinc/33/79/36/600337936.db2.gz SPSVMMORQYUEBQ-HNNXBMFYSA-N -1 1 364.446 2.375 20 0 FEADMM Cc1sc(NC(=O)CN2CCN(C3CCC3)CC2)c(C(=O)[O-])c1C ZINC000738397847 600508737 /nfs/dbraw/zinc/50/87/37/600508737.db2.gz GUWZNTWSVVKCMH-UHFFFAOYSA-N -1 1 351.472 2.172 20 0 FEADMM O=C([O-])c1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000392057934 600513503 /nfs/dbraw/zinc/51/35/03/600513503.db2.gz VGLIJICIHOFSPR-NEPJUHHUSA-N -1 1 353.806 2.023 20 0 FEADMM O=C([O-])CCN(CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCCO1 ZINC000739717018 600514023 /nfs/dbraw/zinc/51/40/23/600514023.db2.gz DXWAITXRGADSIN-SJLPKXTDSA-N -1 1 360.454 2.136 20 0 FEADMM O=C([O-])c1ccccc1NC(=O)COC(=O)c1c(F)cc(O)cc1F ZINC000739315036 600580974 /nfs/dbraw/zinc/58/09/74/600580974.db2.gz HOULYYVOKXOBJA-UHFFFAOYSA-N -1 1 351.261 2.164 20 0 FEADMM COc1ccc([C@H](NC(=O)[C@H](C)N(C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000737958120 600587745 /nfs/dbraw/zinc/58/77/45/600587745.db2.gz WXJRGRDNYPGZKR-KSSFIOAISA-N -1 1 356.422 2.458 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000736468434 600609105 /nfs/dbraw/zinc/60/91/05/600609105.db2.gz POFZRVREMWIHCV-HXUWFJFHSA-N -1 1 373.453 2.085 20 0 FEADMM Cc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c(C(=O)[O-])c1 ZINC000738617588 600668680 /nfs/dbraw/zinc/66/86/80/600668680.db2.gz XRPWBBWNELLKLS-UHFFFAOYSA-N -1 1 368.437 2.239 20 0 FEADMM CCn1nc(C)cc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000809249456 674488847 /nfs/dbraw/zinc/48/88/47/674488847.db2.gz VTRROTPQXNQVFV-GAFUQQFSSA-N -1 1 360.380 2.129 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cs1 ZINC000831348516 600677045 /nfs/dbraw/zinc/67/70/45/600677045.db2.gz XOZDNSUHNBUIKR-UHFFFAOYSA-N -1 1 356.381 2.425 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)ccc1C(=O)[O-] ZINC000832903703 600709973 /nfs/dbraw/zinc/70/99/73/600709973.db2.gz SDHUTBAIOMMSBN-KGLIPLIRSA-N -1 1 354.472 2.234 20 0 FEADMM CS(=O)(=O)Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832681594 600745522 /nfs/dbraw/zinc/74/55/22/600745522.db2.gz DKPJZBCVKNMFJM-INIZCTEOSA-N -1 1 351.399 2.286 20 0 FEADMM Cc1ccc(S(=O)(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1C(=O)[O-] ZINC000832956124 600781329 /nfs/dbraw/zinc/78/13/29/600781329.db2.gz ZBEFZKRAJGHYQN-ZIAGYGMSSA-N -1 1 354.472 2.234 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@@H](N2CCCC3(CCOCC3)C2)C1=O ZINC000833337084 600799953 /nfs/dbraw/zinc/79/99/53/600799953.db2.gz ZBPJZKGDSDLNHB-CQSZACIVSA-N -1 1 364.467 2.444 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(C(=O)NCc1n[nH]c(-c3ccc(F)cc3)n1)CC2 ZINC000739524363 600812435 /nfs/dbraw/zinc/81/24/35/600812435.db2.gz DBFBSUJXUHMHAF-CYBMUJFWSA-N -1 1 373.388 2.007 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(C(=O)NCc1nc(-c3ccc(F)cc3)n[nH]1)CC2 ZINC000739524363 600812437 /nfs/dbraw/zinc/81/24/37/600812437.db2.gz DBFBSUJXUHMHAF-CYBMUJFWSA-N -1 1 373.388 2.007 20 0 FEADMM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c1OC ZINC000737855287 600931565 /nfs/dbraw/zinc/93/15/65/600931565.db2.gz UUIHDGMURTYYAX-UHFFFAOYSA-N -1 1 368.345 2.496 20 0 FEADMM Cc1cccc(CN(CCC(=O)N(C)CC(=O)[O-])Cc2ccccn2)c1 ZINC000832968135 601010408 /nfs/dbraw/zinc/01/04/08/601010408.db2.gz RIHDGZUQIJMSKR-UHFFFAOYSA-N -1 1 355.438 2.325 20 0 FEADMM Cc1cccc(-c2c[nH]c([C@H]3CCCN3CCC(=O)N(C)CC(=O)[O-])n2)c1 ZINC000832959343 601041896 /nfs/dbraw/zinc/04/18/96/601041896.db2.gz ABISTJBDUNASLA-QGZVFWFLSA-N -1 1 370.453 2.455 20 0 FEADMM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CCC(=O)NCC(=O)[O-])n2)c1 ZINC000832960594 601042006 /nfs/dbraw/zinc/04/20/06/601042006.db2.gz VEVIGXCYAZHXST-INIZCTEOSA-N -1 1 356.426 2.113 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)c(C(=O)[O-])c1 ZINC000832943336 601083151 /nfs/dbraw/zinc/08/31/51/601083151.db2.gz WGWWPOJAIRFQTI-LLVKDONJSA-N -1 1 366.377 2.327 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)CC1 ZINC000630223207 601089286 /nfs/dbraw/zinc/08/92/86/601089286.db2.gz IWBVDYPBGFCDAQ-INIZCTEOSA-N -1 1 374.485 2.083 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccccc2Cl)CC1 ZINC000827362135 601093124 /nfs/dbraw/zinc/09/31/24/601093124.db2.gz IUGGYPSFHPDPBB-CYBMUJFWSA-N -1 1 354.834 2.116 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(F)cc2Cl)CC1 ZINC000827362699 601095116 /nfs/dbraw/zinc/09/51/16/601095116.db2.gz SNQABAHYMFPXJY-LBPRGKRZSA-N -1 1 372.824 2.255 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000827375255 601104457 /nfs/dbraw/zinc/10/44/57/601104457.db2.gz RVCIQBXXBVHDOC-INIZCTEOSA-N -1 1 359.470 2.298 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221468 601105321 /nfs/dbraw/zinc/10/53/21/601105321.db2.gz BFWPGDWVDQNQEQ-LBPRGKRZSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000630222206 601107009 /nfs/dbraw/zinc/10/70/09/601107009.db2.gz DFROABXWYVUTEV-OAHLLOKOSA-N -1 1 356.422 2.226 20 0 FEADMM Cc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000832942524 601110210 /nfs/dbraw/zinc/11/02/10/601110210.db2.gz GNGVVWCHSZPHQP-UHFFFAOYSA-N -1 1 366.377 2.328 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000827374219 601124145 /nfs/dbraw/zinc/12/41/45/601124145.db2.gz DXVUNFIFHMNHKX-NSHDSACASA-N -1 1 352.460 2.035 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000827369088 601130235 /nfs/dbraw/zinc/13/02/35/601130235.db2.gz NSNRQLDPWUJUAY-GFCCVEGCSA-N -1 1 363.414 2.207 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000827369481 601131835 /nfs/dbraw/zinc/13/18/35/601131835.db2.gz ZQHOPMSZINRUQR-HNNXBMFYSA-N -1 1 356.426 2.490 20 0 FEADMM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCc1nc[nH]n1 ZINC000827957205 601137109 /nfs/dbraw/zinc/13/71/09/601137109.db2.gz LWJIGPYOUKQVBN-LBPRGKRZSA-N -1 1 369.381 2.214 20 0 FEADMM CN(C)[C@@H](CNC(=O)NCCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000830582151 601150206 /nfs/dbraw/zinc/15/02/06/601150206.db2.gz YMWXJYYXLQYEBR-ZDUSSCGKSA-N -1 1 359.879 2.060 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000826785812 601195964 /nfs/dbraw/zinc/19/59/64/601195964.db2.gz FIRGBJDEVXSUPK-ILXRZTDVSA-N -1 1 368.499 2.252 20 0 FEADMM COC(=O)[C@H](C)[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000831059351 601206451 /nfs/dbraw/zinc/20/64/51/601206451.db2.gz GJSNWHZWVRPFSY-ACJLOTCBSA-N -1 1 370.405 2.463 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)N1CCCC[C@@H]1C ZINC000737748593 601218164 /nfs/dbraw/zinc/21/81/64/601218164.db2.gz AXZOWVVXARYWKG-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000829765151 601264756 /nfs/dbraw/zinc/26/47/56/601264756.db2.gz KJEOTMSVGYIUHR-GFCCVEGCSA-N -1 1 360.863 2.143 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@@H](N2CCC[C@]3(CCCOC3)C2)C1=O ZINC000833336241 601308214 /nfs/dbraw/zinc/30/82/14/601308214.db2.gz NUPOEERLOTUDQG-KDOFPFPSSA-N -1 1 364.467 2.444 20 0 FEADMM CC[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1C[C@H](C)O ZINC000829141750 601332620 /nfs/dbraw/zinc/33/26/20/601332620.db2.gz PJFPDZKFJCOFLS-SWLSCSKDSA-N -1 1 350.419 2.085 20 0 FEADMM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1(N2CCOCC2)CCCC1 ZINC000827629640 601384063 /nfs/dbraw/zinc/38/40/63/601384063.db2.gz HFVYWTORKJPQJZ-INIZCTEOSA-N -1 1 374.481 2.467 20 0 FEADMM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Br)c1O ZINC000833232991 601441149 /nfs/dbraw/zinc/44/11/49/601441149.db2.gz VEVBFADABMHZHK-JTQLQIEISA-N -1 1 372.215 2.251 20 0 FEADMM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccccc1NS(C)(=O)=O ZINC000830390773 601460751 /nfs/dbraw/zinc/46/07/51/601460751.db2.gz PKCRGTSOOYSAEL-UHFFFAOYSA-N -1 1 367.379 2.269 20 0 FEADMM CCC1CCC(NCC(=O)NCCOc2ccc(F)cc2)(C(=O)[O-])CC1 ZINC000829101529 601495851 /nfs/dbraw/zinc/49/58/51/601495851.db2.gz QQIRKJALFAOINW-UHFFFAOYSA-N -1 1 366.433 2.334 20 0 FEADMM C[C@@H]1CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C[C@H]1C(=O)[O-] ZINC000828433391 601501295 /nfs/dbraw/zinc/50/12/95/601501295.db2.gz UHTAONCTQQVFEN-UMVBOHGHSA-N -1 1 371.393 2.203 20 0 FEADMM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(CCC2OCCCO2)CC1 ZINC000833170726 601593273 /nfs/dbraw/zinc/59/32/73/601593273.db2.gz JFJLFZOKMGDCCV-KRWDZBQOSA-N -1 1 368.861 2.236 20 0 FEADMM C[C@@H](C(=O)[O-])[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000826031260 601609342 /nfs/dbraw/zinc/60/93/42/601609342.db2.gz JHVYWRAXRNHVJV-KCJUWKMLSA-N -1 1 369.493 2.497 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000827375343 601687848 /nfs/dbraw/zinc/68/78/48/601687848.db2.gz VAHHWAKHNBNUGU-JTQLQIEISA-N -1 1 362.323 2.466 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000827375344 601688216 /nfs/dbraw/zinc/68/82/16/601688216.db2.gz VAHHWAKHNBNUGU-SNVBAGLBSA-N -1 1 362.323 2.466 20 0 FEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000833194306 601787760 /nfs/dbraw/zinc/78/77/60/601787760.db2.gz FAGKQMXYXWSNKE-OKZBNKHCSA-N -1 1 374.506 2.385 20 0 FEADMM O=C([O-])c1cccc(N2CC(=O)N(CN3CCC[C@H]3C3CCC3)C2=O)c1 ZINC000833329686 601877641 /nfs/dbraw/zinc/87/76/41/601877641.db2.gz HKTVCGOMJYPBRD-INIZCTEOSA-N -1 1 357.410 2.375 20 0 FEADMM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000740477988 601893155 /nfs/dbraw/zinc/89/31/55/601893155.db2.gz LTXVKDWJAVACHG-RTXFEEFZSA-N -1 1 356.386 2.116 20 0 FEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC2(CC1)OCc1ccccc12 ZINC000825977328 601910032 /nfs/dbraw/zinc/91/00/32/601910032.db2.gz DAEBDCGXCREWIL-OAHLLOKOSA-N -1 1 372.465 2.220 20 0 FEADMM C[C@H](CNC(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000827465783 601920765 /nfs/dbraw/zinc/92/07/65/601920765.db2.gz DIJZHYGTQRJHPZ-IJEWVQPXSA-N -1 1 350.484 2.187 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000832595368 601927958 /nfs/dbraw/zinc/92/79/58/601927958.db2.gz KLJDOBBHJBNZFL-MJBXVCDLSA-N -1 1 366.483 2.153 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000833011020 601928549 /nfs/dbraw/zinc/92/85/49/601928549.db2.gz BDGWTIMYGHBJDP-LJQANCHMSA-N -1 1 356.426 2.224 20 0 FEADMM COC(=O)[C@H](N=c1nc(C)[nH]c2sc(C(=O)[O-])c(C)c21)C(C)(C)C ZINC000831084256 601945746 /nfs/dbraw/zinc/94/57/46/601945746.db2.gz JIHWNMGJJWJVSH-NSHDSACASA-N -1 1 351.428 2.428 20 0 FEADMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccs2)c(F)c1 ZINC000547544331 601981190 /nfs/dbraw/zinc/98/11/90/601981190.db2.gz QNIBTFWKHZCOGT-LLVKDONJSA-N -1 1 358.347 2.002 20 0 FEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398194864 601989000 /nfs/dbraw/zinc/98/90/00/601989000.db2.gz LDIOJNCIOBDEIO-PBHICJAKSA-N -1 1 374.462 2.326 20 0 FEADMM C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738982248 602084153 /nfs/dbraw/zinc/08/41/53/602084153.db2.gz RYPLIOCJVATZAQ-WBVHZDCISA-N -1 1 374.485 2.122 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)c1ccsc1 ZINC000739609672 602087002 /nfs/dbraw/zinc/08/70/02/602087002.db2.gz XESYTDOMLYLUDA-KBPBESRZSA-N -1 1 354.476 2.135 20 0 FEADMM CN(C)[C@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739609294 602105540 /nfs/dbraw/zinc/10/55/40/602105540.db2.gz UUOQAVDUKWRUII-MRXNPFEDSA-N -1 1 366.437 2.118 20 0 FEADMM COc1cc(OC)cc([C@H](NCc2cnn(CC(F)(F)F)c2)C(=O)[O-])c1 ZINC000832058109 602178386 /nfs/dbraw/zinc/17/83/86/602178386.db2.gz WETCLHBWIUOYQF-AWEZNQCLSA-N -1 1 373.331 2.378 20 0 FEADMM CN(CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)C(=O)[O-] ZINC000739620746 602191203 /nfs/dbraw/zinc/19/12/03/602191203.db2.gz ZDEFDRUEWBMCQW-UHFFFAOYSA-N -1 1 373.375 2.350 20 0 FEADMM Cc1n[nH]c([C@@H]2CCCN([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000832997240 602234289 /nfs/dbraw/zinc/23/42/89/602234289.db2.gz UTOULZUKASKSNY-IUODEOHRSA-N -1 1 371.441 2.326 20 0 FEADMM Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)[nH]1 ZINC000832997240 602234292 /nfs/dbraw/zinc/23/42/92/602234292.db2.gz UTOULZUKASKSNY-IUODEOHRSA-N -1 1 371.441 2.326 20 0 FEADMM CC(=O)c1cccc(OC[C@H](O)CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])c1 ZINC000738603910 602273889 /nfs/dbraw/zinc/27/38/89/602273889.db2.gz XERVQTQEPLHZGR-XCRHUMRWSA-N -1 1 364.442 2.140 20 0 FEADMM CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000388788629 602327759 /nfs/dbraw/zinc/32/77/59/602327759.db2.gz RLPHTZWNSCOXFX-QGZVFWFLSA-N -1 1 374.462 2.280 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000740688397 602341422 /nfs/dbraw/zinc/34/14/22/602341422.db2.gz RSVRJZFGIQFVQW-IRXDYDNUSA-N -1 1 371.437 2.412 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000826886378 602373074 /nfs/dbraw/zinc/37/30/74/602373074.db2.gz WNWZFLXRWRXBFA-CYBMUJFWSA-N -1 1 353.394 2.002 20 0 FEADMM COc1ccccc1CNC(=O)[C@H](C)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739975323 602385790 /nfs/dbraw/zinc/38/57/90/602385790.db2.gz PSJRESBPLYNKQQ-AWEZNQCLSA-N -1 1 363.458 2.022 20 0 FEADMM CN(CC1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000739660569 602408730 /nfs/dbraw/zinc/40/87/30/602408730.db2.gz NXJRDMYDJTVEEI-UHFFFAOYSA-N -1 1 351.422 2.106 20 0 FEADMM C[C@@H](NC(=O)CN1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738959476 602449514 /nfs/dbraw/zinc/44/95/14/602449514.db2.gz CMQBXMORMRPATK-CHWSQXEVSA-N -1 1 351.422 2.371 20 0 FEADMM COc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826211907 607571858 /nfs/dbraw/zinc/57/18/58/607571858.db2.gz ZRJQALWRCRKKNO-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM COc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826211907 607571860 /nfs/dbraw/zinc/57/18/60/607571860.db2.gz ZRJQALWRCRKKNO-UHFFFAOYSA-N -1 1 366.786 2.296 20 0 FEADMM CN(C[C@@H]1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1)C(=O)[O-] ZINC000739660876 602538690 /nfs/dbraw/zinc/53/86/90/602538690.db2.gz QZSLPWQFZRPLAC-IBGZPJMESA-N -1 1 373.497 2.399 20 0 FEADMM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738953339 602539655 /nfs/dbraw/zinc/53/96/55/602539655.db2.gz PSPQGXARDMAIFJ-MJBXVCDLSA-N -1 1 351.422 2.323 20 0 FEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739956409 602543601 /nfs/dbraw/zinc/54/36/01/602543601.db2.gz DOPBBUDNYVROMQ-LSDHHAIUSA-N -1 1 363.458 2.146 20 0 FEADMM CCCN(CC(=O)N1CCc2sccc2C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739351895 602544196 /nfs/dbraw/zinc/54/41/96/602544196.db2.gz AZWLVKYZVJEQIN-CQSZACIVSA-N -1 1 351.472 2.097 20 0 FEADMM CSc1ccc(CN(C)C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740015715 602577866 /nfs/dbraw/zinc/57/78/66/602577866.db2.gz HLACQUGDKNZYMY-HNNXBMFYSA-N -1 1 365.499 2.299 20 0 FEADMM C[C@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738917613 602700662 /nfs/dbraw/zinc/70/06/62/602700662.db2.gz FDQLCPBTJGMNQF-HZPDHXFCSA-N -1 1 374.485 2.122 20 0 FEADMM C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739066680 602706362 /nfs/dbraw/zinc/70/63/62/602706362.db2.gz YDUBZMOFDWBYDR-KGLIPLIRSA-N -1 1 363.462 2.016 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739176560 602762394 /nfs/dbraw/zinc/76/23/94/602762394.db2.gz NATSBVAXYVHCGN-BFQNTYOBSA-N -1 1 369.412 2.462 20 0 FEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171534 602771087 /nfs/dbraw/zinc/77/10/87/602771087.db2.gz CGVSDKAKYHKWEG-WWGRRREGSA-N -1 1 351.422 2.323 20 0 FEADMM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739180703 602777193 /nfs/dbraw/zinc/77/71/93/602777193.db2.gz ZKVHLIOINOIFAZ-IOASZLSFSA-N -1 1 351.422 2.151 20 0 FEADMM C[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3[O-])cc2)CC1 ZINC000739735699 602842655 /nfs/dbraw/zinc/84/26/55/602842655.db2.gz DCNVHUHJHBZXBW-UHFFFAOYSA-N -1 1 370.409 2.486 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1cccs1 ZINC000739608909 602955469 /nfs/dbraw/zinc/95/54/69/602955469.db2.gz RINAEJPVGWNQJV-CHWSQXEVSA-N -1 1 354.476 2.183 20 0 FEADMM CCOCCN1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)C[C@H]1CC ZINC000739488208 602959667 /nfs/dbraw/zinc/95/96/67/602959667.db2.gz OEFRXNWMFDWCOE-QGZVFWFLSA-N -1 1 363.458 2.278 20 0 FEADMM CC(C)(C)OC(=O)NCC(F)(F)C[N-]S(=O)(=O)CCC1CCC1 ZINC000809833628 674514413 /nfs/dbraw/zinc/51/44/13/674514413.db2.gz KVIVKGJCYDOKGC-UHFFFAOYSA-N -1 1 356.435 2.256 20 0 FEADMM COCCN(CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C(=O)[O-] ZINC000739821688 603113090 /nfs/dbraw/zinc/11/30/90/603113090.db2.gz LUQVDUAJVAXBQB-UHFFFAOYSA-N -1 1 369.381 2.190 20 0 FEADMM O=C([O-])NC[C@@H]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000740626223 603124300 /nfs/dbraw/zinc/12/43/00/603124300.db2.gz WRMJMFJXZCXMIR-AWEZNQCLSA-N -1 1 354.410 2.367 20 0 FEADMM CCCN(C(=O)NCc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739345179 603128159 /nfs/dbraw/zinc/12/81/59/603128159.db2.gz VUOGAEJTUNHWDW-CQSZACIVSA-N -1 1 372.429 2.146 20 0 FEADMM CCCN(C(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739345179 603128162 /nfs/dbraw/zinc/12/81/62/603128162.db2.gz VUOGAEJTUNHWDW-CQSZACIVSA-N -1 1 372.429 2.146 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1cccc(F)c1 ZINC000739600887 603232766 /nfs/dbraw/zinc/23/27/66/603232766.db2.gz BLXRYVWYYHLGJD-VNQPRFMTSA-N -1 1 351.422 2.371 20 0 FEADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000829182254 603408800 /nfs/dbraw/zinc/40/88/00/603408800.db2.gz IVKPOQUGTFLTHM-VIFPVBQESA-N -1 1 353.806 2.405 20 0 FEADMM C[C@H]1CN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cn2)CCO1 ZINC000826081918 603538634 /nfs/dbraw/zinc/53/86/34/603538634.db2.gz FYBKTYCFXRAOCM-ZDUSSCGKSA-N -1 1 357.414 2.081 20 0 FEADMM COc1cccc([C@H](CNC(=O)C(C)(C)CNC(=O)[O-])N2CCCC2)c1 ZINC000829544851 603617697 /nfs/dbraw/zinc/61/76/97/603617697.db2.gz YIVAIPILVKNJFA-INIZCTEOSA-N -1 1 363.458 2.242 20 0 FEADMM CN(C)[C@@H](CNC(=O)C1(CNC(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000827993233 603619132 /nfs/dbraw/zinc/61/91/32/603619132.db2.gz BXMHFVJVRSPWIW-HNNXBMFYSA-N -1 1 351.422 2.373 20 0 FEADMM CN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)CC(C)(C)CNC(=O)[O-] ZINC000828101920 603625798 /nfs/dbraw/zinc/62/57/98/603625798.db2.gz CZYDZRHEOGDGOQ-UHFFFAOYSA-N -1 1 372.469 2.278 20 0 FEADMM CCN(CC1CCN(C(=O)c2n[nH]c(C)c2Br)CC1)C(=O)[O-] ZINC000827079725 603745883 /nfs/dbraw/zinc/74/58/83/603745883.db2.gz AAXAYZLSXDTSMC-UHFFFAOYSA-N -1 1 373.251 2.333 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488177 607649290 /nfs/dbraw/zinc/64/92/90/607649290.db2.gz JTQRQGHKSCJGST-SDDRHHMPSA-N -1 1 365.434 2.253 20 0 FEADMM O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488177 607649292 /nfs/dbraw/zinc/64/92/92/607649292.db2.gz JTQRQGHKSCJGST-SDDRHHMPSA-N -1 1 365.434 2.253 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1)C(=O)[O-] ZINC000828245143 603751291 /nfs/dbraw/zinc/75/12/91/603751291.db2.gz DHFKTKUPCZWISH-ZWKOTPCHSA-N -1 1 359.470 2.499 20 0 FEADMM CC(C)[C@H](CCN(C)CC(=O)N[C@H]1CCOc2ccccc21)NC(=O)[O-] ZINC000824100625 603823357 /nfs/dbraw/zinc/82/33/57/603823357.db2.gz XSGRSFKOYNBGKA-HOTGVXAUSA-N -1 1 363.458 2.241 20 0 FEADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1O ZINC000832482397 603910440 /nfs/dbraw/zinc/91/04/40/603910440.db2.gz NTAYQZKQQFDCBE-GZMMTYOYSA-N -1 1 357.204 2.321 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCc3nccs3)cc2)n1 ZINC000832730933 603914610 /nfs/dbraw/zinc/91/46/10/603914610.db2.gz XVHVKFFEJFKKLU-UHFFFAOYSA-N -1 1 372.410 2.267 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCc3nccs3)cc2)n[nH]1 ZINC000832730933 603914614 /nfs/dbraw/zinc/91/46/14/603914614.db2.gz XVHVKFFEJFKKLU-UHFFFAOYSA-N -1 1 372.410 2.267 20 0 FEADMM O=C([O-])NCCOCC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000832662143 603937044 /nfs/dbraw/zinc/93/70/44/603937044.db2.gz JGVCAHWDTPXLBI-ZDUSSCGKSA-N -1 1 366.805 2.164 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000827229121 603942249 /nfs/dbraw/zinc/94/22/49/603942249.db2.gz UVVDAKRDADBPCT-LSDHHAIUSA-N -1 1 360.458 2.203 20 0 FEADMM O=C([O-])N1CCC(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000831878283 603969001 /nfs/dbraw/zinc/96/90/01/603969001.db2.gz FKAXBDHTTDMVDG-GJZGRUSLSA-N -1 1 354.472 2.262 20 0 FEADMM CN(CC(=O)Nc1ccccc1OC(F)F)C1CCN(C(=O)[O-])CC1 ZINC000828120522 603987903 /nfs/dbraw/zinc/98/79/03/603987903.db2.gz QANHPMSZGRGVBC-UHFFFAOYSA-N -1 1 357.357 2.301 20 0 FEADMM CN(C[C@@H]1CCCN1C(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC000828218024 604000403 /nfs/dbraw/zinc/00/04/03/604000403.db2.gz DINKJKUWNIOLBJ-VIFPVBQESA-N -1 1 357.204 2.369 20 0 FEADMM O=C([O-])Nc1cc2c(cc1NC(=O)c1nnc3ccccc3c1O)OCO2 ZINC000832828311 604004162 /nfs/dbraw/zinc/00/41/62/604004162.db2.gz DWTJGMDCKBCDJN-UHFFFAOYSA-N -1 1 368.305 2.406 20 0 FEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000824203461 604046061 /nfs/dbraw/zinc/04/60/61/604046061.db2.gz JNIPCRQVMQWEES-JTQLQIEISA-N -1 1 364.427 2.036 20 0 FEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000829610423 604057248 /nfs/dbraw/zinc/05/72/48/604057248.db2.gz CANAPDNMXRYPQR-INIZCTEOSA-N -1 1 372.356 2.336 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)[nH]c2c1 ZINC000830432416 604096647 /nfs/dbraw/zinc/09/66/47/604096647.db2.gz GNDZMOMSKIHMIB-CHWSQXEVSA-N -1 1 359.430 2.449 20 0 FEADMM O=S(=O)(NC1(C2CC2)CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487500 607673022 /nfs/dbraw/zinc/67/30/22/607673022.db2.gz QFJZWPQGKNLHTG-UHFFFAOYSA-N -1 1 373.360 2.106 20 0 FEADMM Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830568160 604221402 /nfs/dbraw/zinc/22/14/02/604221402.db2.gz YRVFXOYNZLNLEA-RYRKJORJSA-N -1 1 361.486 2.410 20 0 FEADMM Cn1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c(C(F)(F)F)n1 ZINC000826362005 607680945 /nfs/dbraw/zinc/68/09/45/607680945.db2.gz ZJRRTFHCQOIQMK-UHFFFAOYSA-N -1 1 358.715 2.280 20 0 FEADMM Cn1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c(C(F)(F)F)n1 ZINC000826362005 607680947 /nfs/dbraw/zinc/68/09/47/607680947.db2.gz ZJRRTFHCQOIQMK-UHFFFAOYSA-N -1 1 358.715 2.280 20 0 FEADMM C[C@@H](CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000826057952 604669586 /nfs/dbraw/zinc/66/95/86/604669586.db2.gz LJOSOGMWFUKMOH-ARFHVFGLSA-N -1 1 369.506 2.018 20 0 FEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]1Cn1cnc2ccccc21)C(=O)[O-] ZINC000833477123 604717211 /nfs/dbraw/zinc/71/72/11/604717211.db2.gz GGVTWXWQJDBRBJ-RDJZCZTQSA-N -1 1 372.469 2.116 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]1Cn1cnc2ccccc21)C(=O)[O-] ZINC000833639657 604719017 /nfs/dbraw/zinc/71/90/17/604719017.db2.gz QAWLNDCYSYWFDF-KHYOSLBOSA-N -1 1 372.469 2.116 20 0 FEADMM Cc1cc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)n(-c2ccc(F)cc2)n1 ZINC000832892503 604740257 /nfs/dbraw/zinc/74/02/57/604740257.db2.gz CFWINLWYILFDLL-LBPRGKRZSA-N -1 1 374.416 2.443 20 0 FEADMM CCc1ccc([C@@]2(CC)NC(=O)N(CN3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000830237086 604764213 /nfs/dbraw/zinc/76/42/13/604764213.db2.gz GOOWSGGVTQHVQQ-VQTJNVASSA-N -1 1 373.453 2.160 20 0 FEADMM CCCCn1ncc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1C ZINC000829446961 604793037 /nfs/dbraw/zinc/79/30/37/604793037.db2.gz ITJLNEYDBPBNMO-UHFFFAOYSA-N -1 1 353.400 2.196 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCCOc1ccccc1 ZINC000826294787 607717649 /nfs/dbraw/zinc/71/76/49/607717649.db2.gz CGKSNRKBGBVZAC-UHFFFAOYSA-N -1 1 362.393 2.354 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cc(F)ccc1F ZINC000826295171 607718398 /nfs/dbraw/zinc/71/83/98/607718398.db2.gz UPUGHDCTRIQDEQ-UHFFFAOYSA-N -1 1 354.320 2.212 20 0 FEADMM C[C@H](c1ccccc1Br)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833548898 604864617 /nfs/dbraw/zinc/86/46/17/604864617.db2.gz IDFLUSGAWICIBZ-LLVKDONJSA-N -1 1 367.247 2.361 20 0 FEADMM O=C([O-])[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccnc1 ZINC000833158915 604996350 /nfs/dbraw/zinc/99/63/50/604996350.db2.gz OTAKVANDLVVMAQ-SJORKVTESA-N -1 1 355.394 2.115 20 0 FEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000833513046 605004405 /nfs/dbraw/zinc/00/44/05/605004405.db2.gz ZJNXZSLPSZVPSW-QMMMGPOBSA-N -1 1 372.834 2.319 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000833618769 605155271 /nfs/dbraw/zinc/15/52/71/605155271.db2.gz FSRKPTIUGDNJLH-XVJNWHFHSA-N -1 1 353.422 2.255 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000833629232 605197600 /nfs/dbraw/zinc/19/76/00/605197600.db2.gz SPIVTTRPLGKJFG-LLVKDONJSA-N -1 1 374.268 2.413 20 0 FEADMM C[C@@H](CN(CC(=O)Nc1ccc(N2CCCCC2)nc1)C1CC1)C(=O)[O-] ZINC000833516015 605239759 /nfs/dbraw/zinc/23/97/59/605239759.db2.gz DQCPDYCNRKHZLG-AWEZNQCLSA-N -1 1 360.458 2.196 20 0 FEADMM NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000831179556 605247089 /nfs/dbraw/zinc/24/70/89/605247089.db2.gz XAHHWDMRMVVJBU-MRXNPFEDSA-N -1 1 369.425 2.233 20 0 FEADMM C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCN1CCC(=O)[O-] ZINC000833625422 605255204 /nfs/dbraw/zinc/25/52/04/605255204.db2.gz XZBADNPRJGUJFL-JTQLQIEISA-N -1 1 373.222 2.209 20 0 FEADMM C[C@H]1CN(C(=O)c2cccc(Br)c2)CCN1CCC(=O)[O-] ZINC000833623498 605256966 /nfs/dbraw/zinc/25/69/66/605256966.db2.gz QNJJBHUZGBQFCE-NSHDSACASA-N -1 1 355.232 2.070 20 0 FEADMM CCn1cc(CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c2ccccc21 ZINC000833682175 605277725 /nfs/dbraw/zinc/27/77/25/605277725.db2.gz LSYNCJSOHPXMJN-HNNXBMFYSA-N -1 1 357.454 2.211 20 0 FEADMM CC(C)COC(=O)N1CCCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833490300 605295693 /nfs/dbraw/zinc/29/56/93/605295693.db2.gz SXMPAUPPBYTOSL-UHFFFAOYSA-N -1 1 364.442 2.450 20 0 FEADMM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cccc(Br)c1O ZINC000825838253 605363236 /nfs/dbraw/zinc/36/32/36/605363236.db2.gz OYWVEXPOBHLDEV-IUCAKERBSA-N -1 1 357.204 2.415 20 0 FEADMM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000834287609 605421116 /nfs/dbraw/zinc/42/11/16/605421116.db2.gz OCSKCYZHAXTUNR-MRXNPFEDSA-N -1 1 369.425 2.466 20 0 FEADMM O=C([O-])N1CCC(N(C(=O)c2cccc(-c3nnc[nH]3)c2)C2CC2)CC1 ZINC000834083780 605426421 /nfs/dbraw/zinc/42/64/21/605426421.db2.gz PMOAWHOHDINQEO-UHFFFAOYSA-N -1 1 355.398 2.219 20 0 FEADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000825823909 605560172 /nfs/dbraw/zinc/56/01/72/605560172.db2.gz OZHBSUMFHIBHLZ-CZUORRHYSA-N -1 1 366.437 2.088 20 0 FEADMM CCS(=O)(=O)N(C)C1CCN(Cc2cccc(NC(=O)[O-])c2)CC1 ZINC000833864080 605605360 /nfs/dbraw/zinc/60/53/60/605605360.db2.gz WDOGXWLPALGWPW-UHFFFAOYSA-N -1 1 355.460 2.022 20 0 FEADMM O=C([O-])N1CCc2ncc(NC(=O)N[C@H]3CCCc4cn[nH]c43)cc2C1 ZINC000834057430 605924482 /nfs/dbraw/zinc/92/44/82/605924482.db2.gz LKMKSHVFJYPRLT-AWEZNQCLSA-N -1 1 356.386 2.040 20 0 FEADMM O=C([O-])N(CCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000834063374 605983703 /nfs/dbraw/zinc/98/37/03/605983703.db2.gz WOJJBSRRUDXZKH-AWEZNQCLSA-N -1 1 356.419 2.166 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821447329 606103095 /nfs/dbraw/zinc/10/30/95/606103095.db2.gz JGDXZNMRGQAYPU-JLYOEYFJSA-N -1 1 354.867 2.407 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821447329 606103097 /nfs/dbraw/zinc/10/30/97/606103097.db2.gz JGDXZNMRGQAYPU-JLYOEYFJSA-N -1 1 354.867 2.407 20 0 FEADMM CCN(CC)C(=O)CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821175638 606124396 /nfs/dbraw/zinc/12/43/96/606124396.db2.gz QQAOHXAIAUTDOW-UHFFFAOYSA-N -1 1 353.430 2.475 20 0 FEADMM CCN(CC)C(=O)CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821175638 606124397 /nfs/dbraw/zinc/12/43/97/606124397.db2.gz QQAOHXAIAUTDOW-UHFFFAOYSA-N -1 1 353.430 2.475 20 0 FEADMM Cc1csc([C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C(F)(F)F)n1 ZINC000822409702 606128779 /nfs/dbraw/zinc/12/87/79/606128779.db2.gz USGDUZRQHPISGY-SECBINFHSA-N -1 1 370.316 2.487 20 0 FEADMM Cc1csc([C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C(F)(F)F)n1 ZINC000822409702 606128781 /nfs/dbraw/zinc/12/87/81/606128781.db2.gz USGDUZRQHPISGY-SECBINFHSA-N -1 1 370.316 2.487 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C(C)(C)C1 ZINC000820770233 606144942 /nfs/dbraw/zinc/14/49/42/606144942.db2.gz ZRWLTUIUONVMAW-VIFPVBQESA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C(C)(C)C1 ZINC000820770233 606144943 /nfs/dbraw/zinc/14/49/43/606144943.db2.gz ZRWLTUIUONVMAW-VIFPVBQESA-N -1 1 355.851 2.329 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000822609386 606172977 /nfs/dbraw/zinc/17/29/77/606172977.db2.gz NBYSCKZUUIGZLZ-CQSZACIVSA-N -1 1 366.429 2.229 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000822609386 606172978 /nfs/dbraw/zinc/17/29/78/606172978.db2.gz NBYSCKZUUIGZLZ-CQSZACIVSA-N -1 1 366.429 2.229 20 0 FEADMM CCCC(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821000694 606216112 /nfs/dbraw/zinc/21/61/12/606216112.db2.gz HYXKTRDZPLJJLY-CYBMUJFWSA-N -1 1 365.441 2.300 20 0 FEADMM CCCC(=O)N[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821000694 606216114 /nfs/dbraw/zinc/21/61/14/606216114.db2.gz HYXKTRDZPLJJLY-CYBMUJFWSA-N -1 1 365.441 2.300 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(Nc2ncccn2)c1 ZINC000823294954 606294829 /nfs/dbraw/zinc/29/48/29/606294829.db2.gz ZGIJPYNKFHPTBR-UHFFFAOYSA-N -1 1 374.364 2.358 20 0 FEADMM O=C(CNc1c2ccccc2nnc1-c1nn[n-]n1)OC1CCCCC1 ZINC000823009948 606423831 /nfs/dbraw/zinc/42/38/31/606423831.db2.gz ZFXATTARWDRMEW-UHFFFAOYSA-N -1 1 353.386 2.098 20 0 FEADMM CCOC(=O)CC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821325590 606450255 /nfs/dbraw/zinc/45/02/55/606450255.db2.gz HBVFBXCXNKEGBU-UHFFFAOYSA-N -1 1 350.810 2.085 20 0 FEADMM CCOC(=O)CC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821325590 606450256 /nfs/dbraw/zinc/45/02/56/606450256.db2.gz HBVFBXCXNKEGBU-UHFFFAOYSA-N -1 1 350.810 2.085 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822225291 606511597 /nfs/dbraw/zinc/51/15/97/606511597.db2.gz WWGLIOSBEZNHTC-UHFFFAOYSA-N -1 1 356.411 2.191 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822225291 606511598 /nfs/dbraw/zinc/51/15/98/606511598.db2.gz WWGLIOSBEZNHTC-UHFFFAOYSA-N -1 1 356.411 2.191 20 0 FEADMM CCOc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000821417803 606516893 /nfs/dbraw/zinc/51/68/93/606516893.db2.gz SAHPIBHQLJTAAU-UHFFFAOYSA-N -1 1 355.354 2.026 20 0 FEADMM CCOc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000821417803 606516895 /nfs/dbraw/zinc/51/68/95/606516895.db2.gz SAHPIBHQLJTAAU-UHFFFAOYSA-N -1 1 355.354 2.026 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823176082 606554648 /nfs/dbraw/zinc/55/46/48/606554648.db2.gz PUCGMPWVLQHLAK-KOLCDFICSA-N -1 1 354.336 2.360 20 0 FEADMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823176082 606554649 /nfs/dbraw/zinc/55/46/49/606554649.db2.gz PUCGMPWVLQHLAK-KOLCDFICSA-N -1 1 354.336 2.360 20 0 FEADMM COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821904534 606576234 /nfs/dbraw/zinc/57/62/34/606576234.db2.gz XCLSMJKBZDZOOV-JTQLQIEISA-N -1 1 359.411 2.134 20 0 FEADMM COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821904534 606576235 /nfs/dbraw/zinc/57/62/35/606576235.db2.gz XCLSMJKBZDZOOV-JTQLQIEISA-N -1 1 359.411 2.134 20 0 FEADMM CC[C@](C)(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)C1OCCO1 ZINC000820853372 606577174 /nfs/dbraw/zinc/57/71/74/606577174.db2.gz LKYJALJNSVUVMO-MRXNPFEDSA-N -1 1 365.459 2.227 20 0 FEADMM CC[C@](C)(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)C1OCCO1 ZINC000820853372 606577176 /nfs/dbraw/zinc/57/71/76/606577176.db2.gz LKYJALJNSVUVMO-MRXNPFEDSA-N -1 1 365.459 2.227 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821679056 606605136 /nfs/dbraw/zinc/60/51/36/606605136.db2.gz WKPQRKBYCFBBPD-VXGBXAGGSA-N -1 1 370.413 2.102 20 0 FEADMM CO[C@@H]1C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821679056 606605138 /nfs/dbraw/zinc/60/51/38/606605138.db2.gz WKPQRKBYCFBBPD-VXGBXAGGSA-N -1 1 370.413 2.102 20 0 FEADMM Cc1ccc(OCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822262550 606650584 /nfs/dbraw/zinc/65/05/84/606650584.db2.gz BGKSFFGUWXHUAH-UHFFFAOYSA-N -1 1 353.382 2.473 20 0 FEADMM Cc1ccc(OCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822262550 606650585 /nfs/dbraw/zinc/65/05/85/606650585.db2.gz BGKSFFGUWXHUAH-UHFFFAOYSA-N -1 1 353.382 2.473 20 0 FEADMM C[C@H](CC(=O)c1ccccc1F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820225488 606652271 /nfs/dbraw/zinc/65/22/71/606652271.db2.gz JSIFELYQJMZARQ-LLVKDONJSA-N -1 1 369.356 2.353 20 0 FEADMM C[C@H](CC(=O)c1ccccc1F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820225488 606652272 /nfs/dbraw/zinc/65/22/72/606652272.db2.gz JSIFELYQJMZARQ-LLVKDONJSA-N -1 1 369.356 2.353 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCCC2)c1 ZINC000820392564 606691727 /nfs/dbraw/zinc/69/17/27/606691727.db2.gz VZSGHNSSWCUXJK-ZDUSSCGKSA-N -1 1 363.425 2.353 20 0 FEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCCC2)c1 ZINC000820392564 606691728 /nfs/dbraw/zinc/69/17/28/606691728.db2.gz VZSGHNSSWCUXJK-ZDUSSCGKSA-N -1 1 363.425 2.353 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCCC2)c1 ZINC000820392563 606691748 /nfs/dbraw/zinc/69/17/48/606691748.db2.gz VZSGHNSSWCUXJK-CYBMUJFWSA-N -1 1 363.425 2.353 20 0 FEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCCC2)c1 ZINC000820392563 606691749 /nfs/dbraw/zinc/69/17/49/606691749.db2.gz VZSGHNSSWCUXJK-CYBMUJFWSA-N -1 1 363.425 2.353 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCOCC1CC1 ZINC000822535533 606693107 /nfs/dbraw/zinc/69/31/07/606693107.db2.gz VQMUAVWELNQYEW-UHFFFAOYSA-N -1 1 370.413 2.057 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCOCC1CC1 ZINC000822535533 606693108 /nfs/dbraw/zinc/69/31/08/606693108.db2.gz VQMUAVWELNQYEW-UHFFFAOYSA-N -1 1 370.413 2.057 20 0 FEADMM Cc1nc(C)c([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)s1 ZINC000822431703 606709478 /nfs/dbraw/zinc/70/94/78/606709478.db2.gz GUHQNPHIVHLVQD-UHFFFAOYSA-N -1 1 350.429 2.049 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cncc([O-])c1 ZINC000559489666 674545118 /nfs/dbraw/zinc/54/51/18/674545118.db2.gz AZHKYQFDCTWUDL-UHFFFAOYSA-N -1 1 361.785 2.165 20 0 FEADMM CC(C)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820067186 606737456 /nfs/dbraw/zinc/73/74/56/606737456.db2.gz FQIRRSJVVCLVGI-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM CC(C)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820067186 606737458 /nfs/dbraw/zinc/73/74/58/606737458.db2.gz FQIRRSJVVCLVGI-UHFFFAOYSA-N -1 1 367.450 2.453 20 0 FEADMM O=C(C1CCCC1)N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000822917709 606792258 /nfs/dbraw/zinc/79/22/58/606792258.db2.gz VRMYBXQDIHJVTH-LLVKDONJSA-N -1 1 361.837 2.118 20 0 FEADMM O=C(C1CCCC1)N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000822917709 606792261 /nfs/dbraw/zinc/79/22/61/606792261.db2.gz VRMYBXQDIHJVTH-LLVKDONJSA-N -1 1 361.837 2.118 20 0 FEADMM Cc1cc(C)c(-c2nn[nH]n2)c(SCCC[N-]C(=O)C(F)(F)F)n1 ZINC000822193419 606825479 /nfs/dbraw/zinc/82/54/79/606825479.db2.gz WYIICSJTFIUEEN-UHFFFAOYSA-N -1 1 360.365 2.039 20 0 FEADMM Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1O ZINC000822242509 606831564 /nfs/dbraw/zinc/83/15/64/606831564.db2.gz NGYLDLKDXBYDCT-UHFFFAOYSA-N -1 1 368.397 2.169 20 0 FEADMM Cc1noc(CCCn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000822528046 606867092 /nfs/dbraw/zinc/86/70/92/606867092.db2.gz QIWNOBNGQWMJCV-UHFFFAOYSA-N -1 1 371.788 2.159 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000821676791 606940312 /nfs/dbraw/zinc/94/03/12/606940312.db2.gz HFIWJBIOPDUFHV-AWEZNQCLSA-N -1 1 358.789 2.033 20 0 FEADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000821676791 606940313 /nfs/dbraw/zinc/94/03/13/606940313.db2.gz HFIWJBIOPDUFHV-AWEZNQCLSA-N -1 1 358.789 2.033 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1CCCOC1 ZINC000822541689 607081706 /nfs/dbraw/zinc/08/17/06/607081706.db2.gz POBQIZMNICNLOK-GFCCVEGCSA-N -1 1 357.370 2.142 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1CCCOC1 ZINC000822541689 607081707 /nfs/dbraw/zinc/08/17/07/607081707.db2.gz POBQIZMNICNLOK-GFCCVEGCSA-N -1 1 357.370 2.142 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1c(F)cccc1Br ZINC000823380383 607110690 /nfs/dbraw/zinc/11/06/90/607110690.db2.gz WSRQXQCZHBKNLG-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1c(F)cccc1Br ZINC000823380383 607110691 /nfs/dbraw/zinc/11/06/91/607110691.db2.gz WSRQXQCZHBKNLG-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM Cc1nc(Cl)ccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826326599 607785871 /nfs/dbraw/zinc/78/58/71/607785871.db2.gz WUYBQWQKWZLBNR-UHFFFAOYSA-N -1 1 360.809 2.427 20 0 FEADMM Cc1nc(Cl)ccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826326599 607785872 /nfs/dbraw/zinc/78/58/72/607785872.db2.gz WUYBQWQKWZLBNR-UHFFFAOYSA-N -1 1 360.809 2.427 20 0 FEADMM CC(C)Cc1ccc(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000824280408 607785928 /nfs/dbraw/zinc/78/59/28/607785928.db2.gz MHULVANQYNWPTA-UHFFFAOYSA-N -1 1 353.430 2.370 20 0 FEADMM CC(C)Cc1ccc(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000824280408 607785929 /nfs/dbraw/zinc/78/59/29/607785929.db2.gz MHULVANQYNWPTA-UHFFFAOYSA-N -1 1 353.430 2.370 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(C)s1 ZINC000826272432 607867601 /nfs/dbraw/zinc/86/76/01/607867601.db2.gz JCWWGZAWYZTILK-UHFFFAOYSA-N -1 1 354.388 2.452 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(C)s1 ZINC000826272432 607867602 /nfs/dbraw/zinc/86/76/02/607867602.db2.gz JCWWGZAWYZTILK-UHFFFAOYSA-N -1 1 354.388 2.452 20 0 FEADMM FC(F)(F)CNc1nnc(Sc2cccc(-c3nnn[n-]3)n2)s1 ZINC000826367566 607898257 /nfs/dbraw/zinc/89/82/57/607898257.db2.gz DNTZBSZJLJKOHA-UHFFFAOYSA-N -1 1 360.350 2.239 20 0 FEADMM FC(F)(F)CNc1nnc(Sc2cccc(-c3nn[n-]n3)n2)s1 ZINC000826367566 607898258 /nfs/dbraw/zinc/89/82/58/607898258.db2.gz DNTZBSZJLJKOHA-UHFFFAOYSA-N -1 1 360.350 2.239 20 0 FEADMM COCCCN(CCc1ccc(OC)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000826156361 607901736 /nfs/dbraw/zinc/90/17/36/607901736.db2.gz ZSFUCUNFCFVRIB-UHFFFAOYSA-N -1 1 368.441 2.356 20 0 FEADMM COCCCN(CCc1ccc(OC)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000826156361 607901737 /nfs/dbraw/zinc/90/17/37/607901737.db2.gz ZSFUCUNFCFVRIB-UHFFFAOYSA-N -1 1 368.441 2.356 20 0 FEADMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209969 607934919 /nfs/dbraw/zinc/93/49/19/607934919.db2.gz DKTZVAIFZXYZPC-CHWSQXEVSA-N -1 1 373.461 2.391 20 0 FEADMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209969 607934920 /nfs/dbraw/zinc/93/49/20/607934920.db2.gz DKTZVAIFZXYZPC-CHWSQXEVSA-N -1 1 373.461 2.391 20 0 FEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824670422 607968009 /nfs/dbraw/zinc/96/80/09/607968009.db2.gz OFZTXNZCKXRBPS-SFHVURJKSA-N -1 1 365.372 2.269 20 0 FEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824670422 607968010 /nfs/dbraw/zinc/96/80/10/607968010.db2.gz OFZTXNZCKXRBPS-SFHVURJKSA-N -1 1 365.372 2.269 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824093063 608004358 /nfs/dbraw/zinc/00/43/58/608004358.db2.gz DESFYUDJVRTSAP-SNVBAGLBSA-N -1 1 363.443 2.265 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824093063 608004359 /nfs/dbraw/zinc/00/43/59/608004359.db2.gz DESFYUDJVRTSAP-SNVBAGLBSA-N -1 1 363.443 2.265 20 0 FEADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000826424910 608012985 /nfs/dbraw/zinc/01/29/85/608012985.db2.gz IBVXMXAEJHLPQQ-UHFFFAOYSA-N -1 1 373.376 2.198 20 0 FEADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000826424910 608012986 /nfs/dbraw/zinc/01/29/86/608012986.db2.gz IBVXMXAEJHLPQQ-UHFFFAOYSA-N -1 1 373.376 2.198 20 0 FEADMM CC[C@@H](C)n1ncc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C1CC1 ZINC000825081657 608106287 /nfs/dbraw/zinc/10/62/87/608106287.db2.gz LOGBCDGKOPKYAH-SECBINFHSA-N -1 1 370.421 2.289 20 0 FEADMM CC[C@@H](C)n1ncc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C1CC1 ZINC000825081657 608106288 /nfs/dbraw/zinc/10/62/88/608106288.db2.gz LOGBCDGKOPKYAH-SECBINFHSA-N -1 1 370.421 2.289 20 0 FEADMM COc1ccccc1OC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826220348 608114730 /nfs/dbraw/zinc/11/47/30/608114730.db2.gz KYXNZZGIIMQTRS-LLVKDONJSA-N -1 1 373.438 2.382 20 0 FEADMM COc1ccccc1OC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826220348 608114731 /nfs/dbraw/zinc/11/47/31/608114731.db2.gz KYXNZZGIIMQTRS-LLVKDONJSA-N -1 1 373.438 2.382 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826231450 608140945 /nfs/dbraw/zinc/14/09/45/608140945.db2.gz LXJKVTOLDLOPDT-JTQLQIEISA-N -1 1 374.470 2.017 20 0 FEADMM Cc1nc([C@@H]2CCCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000826325302 608177536 /nfs/dbraw/zinc/17/75/36/608177536.db2.gz TXZLGNLYCPQSMC-ZETCQYMHSA-N -1 1 352.811 2.400 20 0 FEADMM Cc1nc([C@@H]2CCCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000826325302 608177537 /nfs/dbraw/zinc/17/75/37/608177537.db2.gz TXZLGNLYCPQSMC-ZETCQYMHSA-N -1 1 352.811 2.400 20 0 FEADMM CC(C)(C)C(=O)N[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824064267 608182117 /nfs/dbraw/zinc/18/21/17/608182117.db2.gz FVFHMZSDIYWZNP-MRVPVSSYSA-N -1 1 369.882 2.108 20 0 FEADMM CC(C)(C)C(=O)N[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824064267 608182118 /nfs/dbraw/zinc/18/21/18/608182118.db2.gz FVFHMZSDIYWZNP-MRVPVSSYSA-N -1 1 369.882 2.108 20 0 FEADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000826508258 608185066 /nfs/dbraw/zinc/18/50/66/608185066.db2.gz KCWUDSVTTLJOID-SSDOTTSWSA-N -1 1 358.761 2.400 20 0 FEADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000826508258 608185067 /nfs/dbraw/zinc/18/50/67/608185067.db2.gz KCWUDSVTTLJOID-SSDOTTSWSA-N -1 1 358.761 2.400 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)c1ccco1 ZINC000826232724 608188937 /nfs/dbraw/zinc/18/89/37/608188937.db2.gz FZUKEXLWCCBIKR-LLVKDONJSA-N -1 1 357.370 2.414 20 0 FEADMM COCCN(Cc1cccnc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826159231 608190486 /nfs/dbraw/zinc/19/04/86/608190486.db2.gz XYJQXRMZKCSEST-UHFFFAOYSA-N -1 1 351.823 2.025 20 0 FEADMM COCCN(Cc1cccnc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826159231 608190487 /nfs/dbraw/zinc/19/04/87/608190487.db2.gz XYJQXRMZKCSEST-UHFFFAOYSA-N -1 1 351.823 2.025 20 0 FEADMM NC(=O)C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000826391034 608192949 /nfs/dbraw/zinc/19/29/49/608192949.db2.gz UUOBCOYQSRGCHV-QMMMGPOBSA-N -1 1 355.855 2.213 20 0 FEADMM NC(=O)C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000826391034 608192951 /nfs/dbraw/zinc/19/29/51/608192951.db2.gz UUOBCOYQSRGCHV-QMMMGPOBSA-N -1 1 355.855 2.213 20 0 FEADMM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC000826480934 608197473 /nfs/dbraw/zinc/19/74/73/608197473.db2.gz YUXSSINHCRJLLF-UHFFFAOYSA-N -1 1 355.379 2.422 20 0 FEADMM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC000826480934 608197474 /nfs/dbraw/zinc/19/74/74/608197474.db2.gz YUXSSINHCRJLLF-UHFFFAOYSA-N -1 1 355.379 2.422 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N(Cc2ccco2)C(C)C)cc1-c1nn[n-]n1 ZINC000826229886 608202794 /nfs/dbraw/zinc/20/27/94/608202794.db2.gz VHKTYJATQKXJPE-UHFFFAOYSA-N -1 1 374.426 2.333 20 0 FEADMM Cc1cccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1 ZINC000826297691 608209405 /nfs/dbraw/zinc/20/94/05/608209405.db2.gz PAKAYRVQFIWXSX-UHFFFAOYSA-N -1 1 364.413 2.230 20 0 FEADMM Cc1cccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1 ZINC000826297691 608209406 /nfs/dbraw/zinc/20/94/06/608209406.db2.gz PAKAYRVQFIWXSX-UHFFFAOYSA-N -1 1 364.413 2.230 20 0 FEADMM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824288760 608251588 /nfs/dbraw/zinc/25/15/88/608251588.db2.gz NIGWCMVQCLRCGG-UHFFFAOYSA-N -1 1 351.432 2.121 20 0 FEADMM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824288760 608251590 /nfs/dbraw/zinc/25/15/90/608251590.db2.gz NIGWCMVQCLRCGG-UHFFFAOYSA-N -1 1 351.432 2.121 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)sc1C ZINC000826272274 608302626 /nfs/dbraw/zinc/30/26/26/608302626.db2.gz BKEKAEXLUJOQNF-UHFFFAOYSA-N -1 1 354.388 2.452 20 0 FEADMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)sc1C ZINC000826272274 608302628 /nfs/dbraw/zinc/30/26/28/608302628.db2.gz BKEKAEXLUJOQNF-UHFFFAOYSA-N -1 1 354.388 2.452 20 0 FEADMM Cc1c([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cnn1-c1ccc(F)cc1 ZINC000826236007 608395620 /nfs/dbraw/zinc/39/56/20/608395620.db2.gz WMUDJJNJTJSANV-SNVBAGLBSA-N -1 1 365.376 2.463 20 0 FEADMM Cc1c([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cnn1-c1ccc(F)cc1 ZINC000826236007 608395622 /nfs/dbraw/zinc/39/56/22/608395622.db2.gz WMUDJJNJTJSANV-SNVBAGLBSA-N -1 1 365.376 2.463 20 0 FEADMM FC(F)(F)COc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826367776 608399012 /nfs/dbraw/zinc/39/90/12/608399012.db2.gz NNNQIUTUCHOCSF-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM FC(F)(F)COc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826367776 608399014 /nfs/dbraw/zinc/39/90/14/608399014.db2.gz NNNQIUTUCHOCSF-UHFFFAOYSA-N -1 1 351.292 2.210 20 0 FEADMM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc(N2CCCCCC2)n1 ZINC000826516200 608416326 /nfs/dbraw/zinc/41/63/26/608416326.db2.gz AJHWSSFSXFTOLK-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc(N2CCCCCC2)n1 ZINC000826516200 608416328 /nfs/dbraw/zinc/41/63/28/608416328.db2.gz AJHWSSFSXFTOLK-UHFFFAOYSA-N -1 1 351.418 2.044 20 0 FEADMM Clc1cccc(-c2noc(CCNc3ccc(-c4nnn[n-]4)nn3)n2)c1 ZINC000826353659 608419966 /nfs/dbraw/zinc/41/99/66/608419966.db2.gz YVCXYVSMKAHMCV-UHFFFAOYSA-N -1 1 369.776 2.015 20 0 FEADMM Clc1cccc(-c2noc(CCNc3ccc(-c4nn[n-]n4)nn3)n2)c1 ZINC000826353659 608419967 /nfs/dbraw/zinc/41/99/67/608419967.db2.gz YVCXYVSMKAHMCV-UHFFFAOYSA-N -1 1 369.776 2.015 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CC1CCOCC1 ZINC000826340620 608472765 /nfs/dbraw/zinc/47/27/65/608472765.db2.gz FFZWEYUOLDTZKC-UHFFFAOYSA-N -1 1 370.413 2.057 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CC1CCOCC1 ZINC000826340620 608472766 /nfs/dbraw/zinc/47/27/66/608472766.db2.gz FFZWEYUOLDTZKC-UHFFFAOYSA-N -1 1 370.413 2.057 20 0 FEADMM CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824806827 608472869 /nfs/dbraw/zinc/47/28/69/608472869.db2.gz DBAKGTLOSVLPRF-UHFFFAOYSA-N -1 1 374.392 2.027 20 0 FEADMM CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824806827 608472873 /nfs/dbraw/zinc/47/28/73/608472873.db2.gz DBAKGTLOSVLPRF-UHFFFAOYSA-N -1 1 374.392 2.027 20 0 FEADMM CSC(C)(C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826224490 608478073 /nfs/dbraw/zinc/47/80/73/608478073.db2.gz GHAQRKLRLDFAKK-UHFFFAOYSA-N -1 1 365.459 2.202 20 0 FEADMM O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826473082 608517518 /nfs/dbraw/zinc/51/75/18/608517518.db2.gz JVHIYCULBGISLP-UHFFFAOYSA-N -1 1 372.429 2.025 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000825923622 608558071 /nfs/dbraw/zinc/55/80/71/608558071.db2.gz PBIFQQXEKQOAQK-GFCCVEGCSA-N -1 1 374.493 2.170 20 0 FEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000825923622 608558074 /nfs/dbraw/zinc/55/80/74/608558074.db2.gz PBIFQQXEKQOAQK-GFCCVEGCSA-N -1 1 374.493 2.170 20 0 FEADMM CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000825332760 609236498 /nfs/dbraw/zinc/23/64/98/609236498.db2.gz LRZHLSLBACMMSH-UHFFFAOYSA-N -1 1 354.370 2.352 20 0 FEADMM CC1(C)C[C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824795762 609355433 /nfs/dbraw/zinc/35/54/33/609355433.db2.gz CTEPWPVPTUMUQL-JTQLQIEISA-N -1 1 370.392 2.359 20 0 FEADMM CC1=CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824853074 609361043 /nfs/dbraw/zinc/36/10/43/609361043.db2.gz VZKZAVCCPKLHPY-UHFFFAOYSA-N -1 1 368.376 2.375 20 0 FEADMM O=C(NCc1ccccc1N1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443398 609402068 /nfs/dbraw/zinc/40/20/68/609402068.db2.gz NEVVKTMWARHGRM-UHFFFAOYSA-N -1 1 363.425 2.182 20 0 FEADMM O=C(NCc1ccccc1N1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826443398 609402069 /nfs/dbraw/zinc/40/20/69/609402069.db2.gz NEVVKTMWARHGRM-UHFFFAOYSA-N -1 1 363.425 2.182 20 0 FEADMM CCc1nnc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000825767232 609480653 /nfs/dbraw/zinc/48/06/53/609480653.db2.gz HPQSBTWUQUKAEB-UHFFFAOYSA-N -1 1 371.405 2.218 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1F ZINC000811831648 674632230 /nfs/dbraw/zinc/63/22/30/674632230.db2.gz CAOIWKWVVKNNNX-UHFFFAOYSA-N -1 1 367.280 2.155 20 0 FEADMM CCC(O)(CC)CCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811907889 674638194 /nfs/dbraw/zinc/63/81/94/674638194.db2.gz FRBCLGBUZSMYCV-GFCCVEGCSA-N -1 1 367.412 2.028 20 0 FEADMM CSc1ccc(N2C[C@H](C(=O)[N-]OCCOC(C)C)CC2=O)cc1 ZINC000812804369 674699679 /nfs/dbraw/zinc/69/96/79/674699679.db2.gz IGWMQFLJUNUWQG-CYBMUJFWSA-N -1 1 352.456 2.234 20 0 FEADMM CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000562497208 674762613 /nfs/dbraw/zinc/76/26/13/674762613.db2.gz ANVIPKDMKQPXFY-GFCCVEGCSA-N -1 1 364.471 2.247 20 0 FEADMM O=S(=O)([N-][C@H]1CCCC[C@H]1N1CCOCC1)c1sccc1Cl ZINC000562548059 674768713 /nfs/dbraw/zinc/76/87/13/674768713.db2.gz KVRQDRXAQQJDQK-QWHCGFSZSA-N -1 1 364.920 2.323 20 0 FEADMM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000563261728 674866391 /nfs/dbraw/zinc/86/63/91/674866391.db2.gz KKBMTWLKYFZFRZ-UHFFFAOYSA-N -1 1 359.325 2.143 20 0 FEADMM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cnn(CC2CC2)c1 ZINC000815068957 674910422 /nfs/dbraw/zinc/91/04/22/674910422.db2.gz JHPNQZYRVAKYLB-JTQLQIEISA-N -1 1 366.390 2.332 20 0 FEADMM O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000564063051 674969340 /nfs/dbraw/zinc/96/93/40/674969340.db2.gz RFKYWCJJNDVAKY-SECBINFHSA-N -1 1 367.345 2.286 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1C ZINC000564549331 675034635 /nfs/dbraw/zinc/03/46/35/675034635.db2.gz OKSHJRITVHEJTN-UHFFFAOYSA-N -1 1 355.334 2.102 20 0 FEADMM C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000010600923 669989124 /nfs/dbraw/zinc/98/91/24/669989124.db2.gz CZIGFLZRDNWTDT-JTQLQIEISA-N -1 1 359.769 2.146 20 0 FEADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000021855372 670036247 /nfs/dbraw/zinc/03/62/47/670036247.db2.gz YSSQZHKKFJFOHX-ZDUSSCGKSA-N -1 1 362.411 2.407 20 0 FEADMM C[C@@H](Cc1ccco1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000025301192 670061449 /nfs/dbraw/zinc/06/14/49/670061449.db2.gz JQORTLBCEGBTSC-NSHDSACASA-N -1 1 354.428 2.310 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000028251821 670088779 /nfs/dbraw/zinc/08/87/79/670088779.db2.gz IPZWXQDXRFHJCJ-UHFFFAOYSA-N -1 1 356.350 2.351 20 0 FEADMM NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000044256700 670188357 /nfs/dbraw/zinc/18/83/57/670188357.db2.gz LIKITXVGMPWFPN-UHFFFAOYSA-N -1 1 359.363 2.084 20 0 FEADMM COc1cc(C)c(S(=O)(=O)N[N-]C(=O)c2ccccc2F)cc1C ZINC000055558635 670352028 /nfs/dbraw/zinc/35/20/28/670352028.db2.gz JCWBNNNYKSSWAZ-UHFFFAOYSA-N -1 1 352.387 2.074 20 0 FEADMM CN(C)C(=O)N1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC1 ZINC000058205665 670376078 /nfs/dbraw/zinc/37/60/78/670376078.db2.gz FRNJELMYQJWUIP-UHFFFAOYSA-N -1 1 366.535 2.320 20 0 FEADMM COc1ccccc1-c1nc(C(=O)[N-]NC(=O)c2ccccn2)cs1 ZINC000058780436 670381117 /nfs/dbraw/zinc/38/11/17/670381117.db2.gz LKSKJSNAVXDUKE-UHFFFAOYSA-N -1 1 354.391 2.289 20 0 FEADMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1[N+](=O)[O-] ZINC000060860987 670390192 /nfs/dbraw/zinc/39/01/92/670390192.db2.gz XEOSXTHGHMNPRM-GHXNOFRVSA-N -1 1 362.411 2.098 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000062294537 670400038 /nfs/dbraw/zinc/40/00/38/670400038.db2.gz VHUBQDWJGSTSSB-LBPRGKRZSA-N -1 1 370.471 2.298 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1noc(C(C)C)n1 ZINC000062294176 670400163 /nfs/dbraw/zinc/40/01/63/670400163.db2.gz KEBTYDHUCPXADZ-UHFFFAOYSA-N -1 1 353.400 2.312 20 0 FEADMM COc1cc(Cl)ccc1C(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000064148664 670419178 /nfs/dbraw/zinc/41/91/78/670419178.db2.gz ZILUFZAFMSJFGW-UHFFFAOYSA-N -1 1 368.798 2.028 20 0 FEADMM O=C1OCCN1c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068076153 670465781 /nfs/dbraw/zinc/46/57/81/670465781.db2.gz HVRDNLDIHIRNAE-UHFFFAOYSA-N -1 1 360.391 2.474 20 0 FEADMM CC(C)c1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000071826243 670494738 /nfs/dbraw/zinc/49/47/38/670494738.db2.gz PSWJHNGJGNXINO-UHFFFAOYSA-N -1 1 354.453 2.258 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)CSc1nccn1C(C)(C)C ZINC000073942315 670511149 /nfs/dbraw/zinc/51/11/49/670511149.db2.gz SJVCGDGQIWRLIC-UHFFFAOYSA-N -1 1 354.505 2.109 20 0 FEADMM C/C=C\C[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OCC ZINC000569268238 670535063 /nfs/dbraw/zinc/53/50/63/670535063.db2.gz TVPJYLJYBYJBJH-FWPCIQOSSA-N -1 1 358.460 2.289 20 0 FEADMM Cc1ncc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000077467178 670564897 /nfs/dbraw/zinc/56/48/97/670564897.db2.gz QPYZSWOHBYDWDC-UHFFFAOYSA-N -1 1 358.441 2.478 20 0 FEADMM Nc1cc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)ccn1 ZINC000817291970 675118307 /nfs/dbraw/zinc/11/83/07/675118307.db2.gz GGWYRVSOXOCLNQ-CYBMUJFWSA-N -1 1 350.344 2.274 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnn(C)c2)cc1 ZINC000078604191 670590068 /nfs/dbraw/zinc/59/00/68/670590068.db2.gz FQBRQNUBPUTWNL-UHFFFAOYSA-N -1 1 358.427 2.379 20 0 FEADMM CC(NC(=O)Cc1sc(N)nc1[O-])(c1ccccc1)c1ccccc1 ZINC000080032165 670614414 /nfs/dbraw/zinc/61/44/14/670614414.db2.gz OOWDKIWRKKHHOV-OAHLLOKOSA-N -1 1 353.447 2.413 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ncco3)c2C)co1 ZINC000569875041 670626581 /nfs/dbraw/zinc/62/65/81/670626581.db2.gz FKUSBFALWNEBAV-UHFFFAOYSA-N -1 1 361.379 2.403 20 0 FEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000081992861 670651438 /nfs/dbraw/zinc/65/14/38/670651438.db2.gz CPQCKUBLDNIOFF-IAQYHMDHSA-N -1 1 354.435 2.273 20 0 FEADMM O=C(NCc1ccon1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000083000233 670653168 /nfs/dbraw/zinc/65/31/68/670653168.db2.gz GRAJOAMCBUJBCE-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccnc1-2 ZINC000570502518 670723908 /nfs/dbraw/zinc/72/39/08/670723908.db2.gz DVXASAPYIIBAHV-UHFFFAOYSA-N -1 1 357.222 2.449 20 0 FEADMM Cc1cnc(SCCCOc2ccc(S(C)(=O)=O)cc2)[n-]c1=O ZINC000570651276 670746761 /nfs/dbraw/zinc/74/67/61/670746761.db2.gz SGMIUOWELBCBSF-UHFFFAOYSA-N -1 1 354.453 2.455 20 0 FEADMM COC[C@H](C)CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817489521 675137964 /nfs/dbraw/zinc/13/79/64/675137964.db2.gz CFJIQPUZIGDSTN-YPMHNXCESA-N -1 1 358.360 2.295 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)c(C)c1 ZINC000102862640 670777767 /nfs/dbraw/zinc/77/77/67/670777767.db2.gz KEQNSNUCCJCGLN-UHFFFAOYSA-N -1 1 368.480 2.368 20 0 FEADMM COc1ccccc1S(=O)(=O)CCCN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000571691974 670912997 /nfs/dbraw/zinc/91/29/97/670912997.db2.gz VTQUKOQFMPBUKZ-UONOGXRCSA-N -1 1 355.456 2.044 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)c(C)c1C ZINC000117539540 670916011 /nfs/dbraw/zinc/91/60/11/670916011.db2.gz HUSKDOMEWXJWPD-UHFFFAOYSA-N -1 1 359.407 2.307 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)o1 ZINC000571881688 670936251 /nfs/dbraw/zinc/93/62/51/670936251.db2.gz YIQNXSOVPWSDHU-UHFFFAOYSA-N -1 1 364.423 2.293 20 0 FEADMM CS(=O)(=O)c1cc(CNC(=O)c2cncc([O-])c2)cc(C(F)(F)F)c1 ZINC000572386189 670995860 /nfs/dbraw/zinc/99/58/60/670995860.db2.gz WJESYONVUQLRGL-UHFFFAOYSA-N -1 1 374.340 2.140 20 0 FEADMM COC[C@@H](CNC(=O)c1c([O-])cnc2c(Br)cccc21)OC ZINC000565981596 675165654 /nfs/dbraw/zinc/16/56/54/675165654.db2.gz GDLWQMQYMQVSDE-SECBINFHSA-N -1 1 369.215 2.094 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)[C@H]1n1cccn1 ZINC000572915509 671058933 /nfs/dbraw/zinc/05/89/33/671058933.db2.gz XZGVUZIQBOXYIY-GZBFAFLISA-N -1 1 365.817 2.399 20 0 FEADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C)c2C)c1C ZINC000573423198 671120663 /nfs/dbraw/zinc/12/06/63/671120663.db2.gz QJHMCDZICGUUSP-UHFFFAOYSA-N -1 1 357.819 2.278 20 0 FEADMM O=S(=O)(Cc1nnsc1Cl)c1nnc(-c2ccccc2F)[n-]1 ZINC000566049024 675175982 /nfs/dbraw/zinc/17/59/82/675175982.db2.gz VDKLZDJDAPKNTJ-UHFFFAOYSA-N -1 1 359.795 2.090 20 0 FEADMM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000576390656 671365369 /nfs/dbraw/zinc/36/53/69/671365369.db2.gz IAUYWEIEQAICOR-AOOOYVTPSA-N -1 1 365.282 2.386 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000576865507 671400166 /nfs/dbraw/zinc/40/01/66/671400166.db2.gz WPOOSWRVYMADCV-NSHDSACASA-N -1 1 353.444 2.434 20 0 FEADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc1 ZINC000608856565 675905684 /nfs/dbraw/zinc/90/56/84/675905684.db2.gz UHVUYIJNFZZQET-UHFFFAOYSA-N -1 1 371.361 2.239 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000609230977 675915032 /nfs/dbraw/zinc/91/50/32/675915032.db2.gz UDIRFCQHKXASPQ-UHFFFAOYSA-N -1 1 353.371 2.487 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC)o1 ZINC000609351847 675919582 /nfs/dbraw/zinc/91/95/82/675919582.db2.gz KCFGXOSVJXLJQR-UHFFFAOYSA-N -1 1 359.787 2.207 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)[C@H]1CCC[C@H](OC)C1 ZINC000577877992 671626234 /nfs/dbraw/zinc/62/62/34/671626234.db2.gz ZMMPRVJJYMLKRR-XJADACSNSA-N -1 1 373.515 2.233 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cscn1 ZINC000578132318 671643331 /nfs/dbraw/zinc/64/33/31/671643331.db2.gz XUJBDQDHMFBNGO-UHFFFAOYSA-N -1 1 352.485 2.004 20 0 FEADMM COc1cccc(Cc2nnc([N-]C(=O)c3c(C)onc3CO)s2)c1 ZINC000578376251 671660798 /nfs/dbraw/zinc/66/07/98/671660798.db2.gz VRLLZOSTMTVVRE-UHFFFAOYSA-N -1 1 360.395 2.179 20 0 FEADMM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000578566917 671674203 /nfs/dbraw/zinc/67/42/03/671674203.db2.gz QWJOGWACYZNLLF-UHFFFAOYSA-N -1 1 354.350 2.274 20 0 FEADMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 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354.350 2.124 20 0 FEADMM COCCn1cc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cn1 ZINC000580673310 671823954 /nfs/dbraw/zinc/82/39/54/671823954.db2.gz SNKKLYLPHKSLGQ-CYBMUJFWSA-N -1 1 369.409 2.319 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)[C@H]1n1cccn1 ZINC000581204684 671873865 /nfs/dbraw/zinc/87/38/65/671873865.db2.gz VYZDVQBCYJGTIS-UMVBOHGHSA-N -1 1 373.837 2.373 20 0 FEADMM O=C(C[C@@H]1COCCN1CCC[N-]C(=O)C(F)(F)F)c1cccs1 ZINC000119618656 671903437 /nfs/dbraw/zinc/90/34/37/671903437.db2.gz GOLIBRYCJIFTMA-LLVKDONJSA-N -1 1 364.389 2.090 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(OCCCO)CC1 ZINC000120203254 671919185 /nfs/dbraw/zinc/91/91/85/671919185.db2.gz FFPSZSDMKYGCPA-UHFFFAOYSA-N -1 1 358.232 2.158 20 0 FEADMM C[C@@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000123538838 671981187 /nfs/dbraw/zinc/98/11/87/671981187.db2.gz SSPZAQOCVVLQHY-LBPRGKRZSA-N -1 1 366.414 2.127 20 0 FEADMM C[C@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000123539047 671981209 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CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1nccs1 ZINC000584792909 672216480 /nfs/dbraw/zinc/21/64/80/672216480.db2.gz UGJZXIDQEPGQIX-SSDOTTSWSA-N -1 1 354.379 2.325 20 0 FEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 ZINC000155016429 672226427 /nfs/dbraw/zinc/22/64/27/672226427.db2.gz AODKFODGUMUWQQ-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)n1 ZINC000155542206 672235101 /nfs/dbraw/zinc/23/51/01/672235101.db2.gz NTWVIFCTEGSGGL-KCJUWKMLSA-N -1 1 351.769 2.460 20 0 FEADMM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000610753658 675994298 /nfs/dbraw/zinc/99/42/98/675994298.db2.gz DIBQLNMUNYPMAP-UHFFFAOYSA-N -1 1 366.395 2.226 20 0 FEADMM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1c(F)c(F)c(F)c(F)c1F ZINC000157282120 672257321 /nfs/dbraw/zinc/25/73/21/672257321.db2.gz JELMAKNDCRIUCL-MRVPVSSYSA-N -1 1 370.343 2.145 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)c2ccccc2Cl)o1 ZINC000610786538 675996830 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Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1C(N)=O ZINC000182354381 672443420 /nfs/dbraw/zinc/44/34/20/672443420.db2.gz NRHLZRRQBBEEHQ-UHFFFAOYSA-N -1 1 367.358 2.250 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c(F)c1 ZINC000678841299 672447536 /nfs/dbraw/zinc/44/75/36/672447536.db2.gz SIKCKHVCHCMPEX-NSHDSACASA-N -1 1 363.426 2.441 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C12CCCC2 ZINC000611082740 676015642 /nfs/dbraw/zinc/01/56/42/676015642.db2.gz UUBDBDNANKOFBG-STQMWFEESA-N -1 1 357.428 2.082 20 0 FEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C12CCCCC2 ZINC000611082950 676015714 /nfs/dbraw/zinc/01/57/14/676015714.db2.gz XLPPYJMLKGRHFI-KBPBESRZSA-N -1 1 371.455 2.472 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c1 ZINC000611083024 676015782 /nfs/dbraw/zinc/01/57/82/676015782.db2.gz UNVHHUXLVFBTHV-LLVKDONJSA-N -1 1 357.771 2.132 20 0 FEADMM O=C([N-]NC(=O)c1cccc(Cl)c1)C(=O)Nc1cc(F)c(F)cc1F ZINC000183725622 672478363 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C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCSc3ccccc32)o1 ZINC000590830800 672622547 /nfs/dbraw/zinc/62/25/47/672622547.db2.gz HEBPSBXUAYAOGN-UHFFFAOYSA-N -1 1 352.437 2.330 20 0 FEADMM COC[C@@H](C)n1ccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)n1 ZINC000189914321 672627128 /nfs/dbraw/zinc/62/71/28/672627128.db2.gz OLEKTMVYBAQPLF-SECBINFHSA-N -1 1 369.784 2.350 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CC12CCOCC2 ZINC000681125068 672631461 /nfs/dbraw/zinc/63/14/61/672631461.db2.gz FULBAUWQVCMREZ-GWCFXTLKSA-N -1 1 365.796 2.015 20 0 FEADMM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1[nH]nc2c1CCCCC2 ZINC000190778347 672649138 /nfs/dbraw/zinc/64/91/38/672649138.db2.gz LIYPNCYUMLRWOM-UHFFFAOYSA-N -1 1 353.831 2.451 20 0 FEADMM C=CCNC(=S)N[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000192054471 672681211 /nfs/dbraw/zinc/68/12/11/672681211.db2.gz STUJRWSYCBFSRM-UHFFFAOYSA-N -1 1 350.188 2.022 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cnn(-c4ccncc4)c3)ccc2O1 ZINC000592006524 672732646 /nfs/dbraw/zinc/73/26/46/672732646.db2.gz 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CS(=O)(=O)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)[n-]1 ZINC000538273274 673430453 /nfs/dbraw/zinc/43/04/53/673430453.db2.gz DGXYDLHFJUWSOG-UHFFFAOYSA-N -1 1 368.724 2.133 20 0 FEADMM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1c(F)ccc([O-])c1F ZINC000538386532 673437447 /nfs/dbraw/zinc/43/74/47/673437447.db2.gz HWHGKYZQSOMDTL-MRVPVSSYSA-N -1 1 359.275 2.118 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3nc(C)ncc32)c(F)c1 ZINC000734850726 673474598 /nfs/dbraw/zinc/47/45/98/673474598.db2.gz NXIAACLDDXIJSP-HNNXBMFYSA-N -1 1 369.393 2.428 20 0 FEADMM COc1ccc(OC)c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000539151775 673476706 /nfs/dbraw/zinc/47/67/06/673476706.db2.gz JCBHXPQQAPFJIG-UHFFFAOYSA-N -1 1 368.386 2.467 20 0 FEADMM CC(=O)Nc1cccc(OCCNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000539446208 673491307 /nfs/dbraw/zinc/49/13/07/673491307.db2.gz COYKXXUOVFQTLE-UHFFFAOYSA-N -1 1 350.321 2.438 20 0 FEADMM Cc1oc(S(N)(=O)=O)cc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000539501656 673493359 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369.245 2.279 20 0 FEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NC3(CO)CCSCC3)c2)o1 ZINC000822430754 675484290 /nfs/dbraw/zinc/48/42/90/675484290.db2.gz UPAMDGNEDXASHG-UHFFFAOYSA-N -1 1 361.419 2.453 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccccc1Cl ZINC000823027084 675524109 /nfs/dbraw/zinc/52/41/09/675524109.db2.gz LDLGOYMFZCTEAO-UHFFFAOYSA-N -1 1 363.786 2.377 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccccc1Cl ZINC000823027084 675524111 /nfs/dbraw/zinc/52/41/11/675524111.db2.gz LDLGOYMFZCTEAO-UHFFFAOYSA-N -1 1 363.786 2.377 20 0 FEADMM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656996680 677905906 /nfs/dbraw/zinc/90/59/06/677905906.db2.gz XCQLBJPKWXWCNO-ZDUSSCGKSA-N -1 1 363.277 2.064 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(F)cc(Br)c1 ZINC000823379628 675548812 /nfs/dbraw/zinc/54/88/12/675548812.db2.gz BGMNJFJAPKXUCE-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(F)cc(Br)c1 ZINC000823379628 675548815 /nfs/dbraw/zinc/54/88/15/675548815.db2.gz BGMNJFJAPKXUCE-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824171919 675587401 /nfs/dbraw/zinc/58/74/01/675587401.db2.gz HBXAECJLJQQKPC-UHFFFAOYSA-N -1 1 357.439 2.342 20 0 FEADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824171919 675587403 /nfs/dbraw/zinc/58/74/03/675587403.db2.gz HBXAECJLJQQKPC-UHFFFAOYSA-N -1 1 357.439 2.342 20 0 FEADMM Cc1cccc(C(=O)C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000824346240 675596746 /nfs/dbraw/zinc/59/67/46/675596746.db2.gz SMRVHSNTTNTYNG-DGCLKSJQSA-N -1 1 356.344 2.236 20 0 FEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@H](O)C(F)(F)C3)c2)o1 ZINC000824979765 675632076 /nfs/dbraw/zinc/63/20/76/675632076.db2.gz YSVHTASBPVJSAB-HNNXBMFYSA-N -1 1 351.305 2.307 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)o1 ZINC000825506508 675656532 /nfs/dbraw/zinc/65/65/32/675656532.db2.gz DERONFGWIMUQRV-VHSXEESVSA-N -1 1 366.361 2.062 20 0 FEADMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000825863437 675671745 /nfs/dbraw/zinc/67/17/45/675671745.db2.gz QRZQWUVCXRTDII-AWEZNQCLSA-N -1 1 353.451 2.417 20 0 FEADMM COc1ccc(N(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1Cl ZINC000826209023 675684101 /nfs/dbraw/zinc/68/41/01/675684101.db2.gz JSKFZPHWFAYQDL-UHFFFAOYSA-N -1 1 362.777 2.031 20 0 FEADMM COc1ccc(N(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1Cl ZINC000826209023 675684104 /nfs/dbraw/zinc/68/41/04/675684104.db2.gz JSKFZPHWFAYQDL-UHFFFAOYSA-N -1 1 362.777 2.031 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nn[nH]n2)c(C)c1 ZINC000826178399 675684181 /nfs/dbraw/zinc/68/41/81/675684181.db2.gz WPDCVSYCYLRBDV-UHFFFAOYSA-N -1 1 359.411 2.293 20 0 FEADMM COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000826212690 675684355 /nfs/dbraw/zinc/68/43/55/675684355.db2.gz XYFHQVWGODBHRE-LBPRGKRZSA-N -1 1 355.423 2.224 20 0 FEADMM COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000826212690 675684357 /nfs/dbraw/zinc/68/43/57/675684357.db2.gz XYFHQVWGODBHRE-LBPRGKRZSA-N -1 1 355.423 2.224 20 0 FEADMM Cc1nc(CNc2snc(Cl)c2-c2nnn[n-]2)ccc1[C@@H](C)O ZINC000826326457 675686368 /nfs/dbraw/zinc/68/63/68/675686368.db2.gz QCEYOLACDVHMCU-SSDOTTSWSA-N -1 1 351.823 2.345 20 0 FEADMM Cc1nc(CNc2snc(Cl)c2-c2nn[n-]n2)ccc1[C@@H](C)O ZINC000826326457 675686372 /nfs/dbraw/zinc/68/63/72/675686372.db2.gz QCEYOLACDVHMCU-SSDOTTSWSA-N -1 1 351.823 2.345 20 0 FEADMM COc1ccc(-n2cc(C(=O)[N-]c3nc(C4(C)CC4)ns3)nn2)cc1 ZINC000827068776 675726898 /nfs/dbraw/zinc/72/68/98/675726898.db2.gz UKBARXMSGPMWLH-UHFFFAOYSA-N -1 1 356.411 2.431 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CSC[C@@H]3C2)o1 ZINC000827179743 675737156 /nfs/dbraw/zinc/73/71/56/675737156.db2.gz CWPVFQQYEMYCBV-NEPJUHHUSA-N -1 1 372.512 2.182 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2CO[C@H](C)C2)c(F)cc1Cl ZINC000828288536 675810788 /nfs/dbraw/zinc/81/07/88/675810788.db2.gz LZOJDBDEORNDOU-RKDXNWHRSA-N -1 1 365.810 2.112 20 0 FEADMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1OC(F)F ZINC000605381643 675812454 /nfs/dbraw/zinc/81/24/54/675812454.db2.gz IKRXOGRVOUUYEZ-UHFFFAOYSA-N -1 1 353.329 2.009 20 0 FEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[nH]n1 ZINC000605432362 675814467 /nfs/dbraw/zinc/81/44/67/675814467.db2.gz ZDFGDXLIAUAXBV-UHFFFAOYSA-N -1 1 371.484 2.053 20 0 FEADMM O=C(NC1CC(OCc2ccccc2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000828597695 675832724 /nfs/dbraw/zinc/83/27/24/675832724.db2.gz MJOHHBSPUSEWEN-UHFFFAOYSA-N -1 1 354.435 2.496 20 0 FEADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000828678481 675836648 /nfs/dbraw/zinc/83/66/48/675836648.db2.gz BCHHTSCXVWTPFW-SLEUVZQESA-N -1 1 350.381 2.107 20 0 FEADMM C[C@H](Sc1ccc(F)cc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000828689331 675837441 /nfs/dbraw/zinc/83/74/41/675837441.db2.gz MWWWKGGQMBSVBE-JTQLQIEISA-N -1 1 363.414 2.191 20 0 FEADMM O=C([N-]CC1CN(C(=O)c2ccnc(-c3ccco3)c2)C1)C(F)(F)F ZINC000828702227 675838019 /nfs/dbraw/zinc/83/80/19/675838019.db2.gz YOWZQFSWOLJOIN-UHFFFAOYSA-N -1 1 353.300 2.092 20 0 FEADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cn1C ZINC000607615965 675870940 /nfs/dbraw/zinc/87/09/40/675870940.db2.gz GLTNVERAANWDFO-UHFFFAOYSA-N -1 1 365.455 2.363 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(O)cccc3F)ccc21 ZINC000608004151 675881273 /nfs/dbraw/zinc/88/12/73/675881273.db2.gz AYGWMWSOBFZCLN-UHFFFAOYSA-N -1 1 350.371 2.241 20 0 FEADMM O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000829680575 675887256 /nfs/dbraw/zinc/88/72/56/675887256.db2.gz BCPVMNIIKZXQNO-IINYFYTJSA-N -1 1 374.388 2.231 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]CC(=O)OCc1ccccc1)c1ccccc1 ZINC000829684460 675887372 /nfs/dbraw/zinc/88/73/72/675887372.db2.gz OXLQVHMCPHYXDF-QGZVFWFLSA-N -1 1 363.435 2.037 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)s1 ZINC000608258224 675887636 /nfs/dbraw/zinc/88/76/36/675887636.db2.gz VPDPVKALAVJHAW-UHFFFAOYSA-N -1 1 357.461 2.231 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccncc1 ZINC000615837516 676231476 /nfs/dbraw/zinc/23/14/76/676231476.db2.gz TYTYNGFUMJJBFC-CYBMUJFWSA-N -1 1 364.785 2.483 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](CC)Oc2ccccc2Cl)n[n-]1 ZINC000615919363 676233595 /nfs/dbraw/zinc/23/35/95/676233595.db2.gz GLBBEQPZQWUURF-NSHDSACASA-N -1 1 366.805 2.109 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](CC)Oc2ccccc2Cl)n1 ZINC000615919363 676233596 /nfs/dbraw/zinc/23/35/96/676233596.db2.gz GLBBEQPZQWUURF-NSHDSACASA-N -1 1 366.805 2.109 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc3ccccn23)o1 ZINC000618357171 676335859 /nfs/dbraw/zinc/33/58/59/676335859.db2.gz FNXIFOUZENZXPE-UHFFFAOYSA-N -1 1 362.411 2.256 20 0 FEADMM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC000618975700 676358173 /nfs/dbraw/zinc/35/81/73/676358173.db2.gz OJSDANXXXSGKFT-UHFFFAOYSA-N -1 1 364.427 2.440 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000619168238 676365813 /nfs/dbraw/zinc/36/58/13/676365813.db2.gz NHXNCUOAQHZYNY-OAHLLOKOSA-N -1 1 368.480 2.045 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)O)c(=O)[n-]1 ZINC000620982167 676436600 /nfs/dbraw/zinc/43/66/00/676436600.db2.gz FFFGITWEALSUNM-BLLLJJGKSA-N -1 1 361.467 2.383 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3n2C2CC2)co1 ZINC000677320738 679676399 /nfs/dbraw/zinc/67/63/99/679676399.db2.gz MKZPXJRVJWXQFU-UHFFFAOYSA-N -1 1 360.395 2.125 20 0 FEADMM O=S(=O)([N-]CC(F)(F)c1ccc(Br)cc1)NC1CC1 ZINC000621306415 676452354 /nfs/dbraw/zinc/45/23/54/676452354.db2.gz ZKLQBAOSBYBKMR-UHFFFAOYSA-N -1 1 355.204 2.127 20 0 FEADMM CN1CC[C@@H](CNC(=O)N2CC(C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621832176 676476771 /nfs/dbraw/zinc/47/67/71/676476771.db2.gz JOUFAOGKJBDORY-XHDPSFHLSA-N -1 1 369.824 2.198 20 0 FEADMM CCc1cc(=O)n2[n-]c(NC(=O)C3(c4cccc(Cl)c4)CC3)nc2n1 ZINC000622994904 676514631 /nfs/dbraw/zinc/51/46/31/676514631.db2.gz HGCSNSLFNMUZIY-UHFFFAOYSA-N -1 1 357.801 2.304 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc(OC)c(Cl)c3)nc2n1 ZINC000622997588 676514726 /nfs/dbraw/zinc/51/47/26/676514726.db2.gz CYOMRGUFIANLPQ-UHFFFAOYSA-N -1 1 361.789 2.284 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)nc2n1 ZINC000622998100 676515050 /nfs/dbraw/zinc/51/50/50/676515050.db2.gz XZYAWVZAIAUZJE-IUCAKERBSA-N -1 1 357.336 2.287 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1cccnc1OCC(F)F ZINC000625216851 676629104 /nfs/dbraw/zinc/62/91/04/676629104.db2.gz JVDBSZQOHLOXES-JTQLQIEISA-N -1 1 360.304 2.345 20 0 FEADMM O=S(=O)(Cc1noc2ccccc21)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000625328918 676639713 /nfs/dbraw/zinc/63/97/13/676639713.db2.gz YPZHFKNDAAFDSZ-CYBMUJFWSA-N -1 1 374.344 2.247 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCN2CC(F)F)c(F)c1 ZINC000625392060 676644393 /nfs/dbraw/zinc/64/43/93/676644393.db2.gz CASMIFCQZLLPTN-SNVBAGLBSA-N -1 1 354.369 2.281 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCCN1CC(F)F)c1ccc(F)c(F)c1F ZINC000625392219 676644649 /nfs/dbraw/zinc/64/46/49/676644649.db2.gz AHFQGZIJAQZPMF-MRVPVSSYSA-N -1 1 358.332 2.112 20 0 FEADMM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000625518863 676653198 /nfs/dbraw/zinc/65/31/98/676653198.db2.gz ZNJCHWUTWXNNPP-VIFPVBQESA-N -1 1 373.689 2.256 20 0 FEADMM Cc1cc(C2([N-]S(=O)(=O)c3cc(F)cc(F)c3)CCOCC2)on1 ZINC000625653609 676665322 /nfs/dbraw/zinc/66/53/22/676665322.db2.gz KVTDVJHZITXOGU-UHFFFAOYSA-N -1 1 358.366 2.245 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cn3c(n2)COCC3)c1 ZINC000626382717 676703404 /nfs/dbraw/zinc/70/34/04/676703404.db2.gz NPNHATAPZPHRBK-UHFFFAOYSA-N -1 1 352.188 2.442 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)cc1OC ZINC000626703562 676719261 /nfs/dbraw/zinc/71/92/61/676719261.db2.gz MIEDBHCDZCGHNH-UHFFFAOYSA-N -1 1 362.411 2.095 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000628391744 676801577 /nfs/dbraw/zinc/80/15/77/676801577.db2.gz FHKUBVWAORTEKZ-NXEZZACHSA-N -1 1 352.385 2.344 20 0 FEADMM 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COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000060496301 541114869 /nfs/dbraw/zinc/11/48/69/541114869.db2.gz PNWQWPUGBDDSCF-UHFFFAOYSA-N -1 1 359.325 2.369 20 0 FEADMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000063878166 541190847 /nfs/dbraw/zinc/19/08/47/541190847.db2.gz GHDOHVRSLALMHV-UHFFFAOYSA-N -1 1 373.434 2.022 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(-c2ccccc2)no1 ZINC000064432274 541205619 /nfs/dbraw/zinc/20/56/19/541205619.db2.gz VDFBBFZMKAENNL-AWEZNQCLSA-N -1 1 361.427 2.146 20 0 FEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000066042390 541278076 /nfs/dbraw/zinc/27/80/76/541278076.db2.gz JDBNWRDVODNHEO-UHFFFAOYSA-N -1 1 357.334 2.422 20 0 FEADMM Cn1c(CNC(=O)CCC(=O)CCC(=O)c2cccs2)n[n-]c1=S ZINC000066625257 541350176 /nfs/dbraw/zinc/35/01/76/541350176.db2.gz GMNXXJYOVPRWJM-UHFFFAOYSA-N -1 1 366.468 2.168 20 0 FEADMM CC(C)n1c(CNC(=O)CNC(=O)OCc2ccccc2)n[n-]c1=S ZINC000066650122 541355450 /nfs/dbraw/zinc/35/54/50/541355450.db2.gz 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ZINC000543130501 541537592 /nfs/dbraw/zinc/53/75/92/541537592.db2.gz RSFUTIGEQLKGPO-UHFFFAOYSA-N -1 1 357.395 2.368 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(-c2ccccc2)no1 ZINC000068270786 541570552 /nfs/dbraw/zinc/57/05/52/541570552.db2.gz VDFBBFZMKAENNL-CQSZACIVSA-N -1 1 361.427 2.146 20 0 FEADMM CCc1nnsc1C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068453877 541594189 /nfs/dbraw/zinc/59/41/89/541594189.db2.gz GRWBJDGGRLLIPG-UHFFFAOYSA-N -1 1 352.489 2.394 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000069163551 541664926 /nfs/dbraw/zinc/66/49/26/541664926.db2.gz OKLCZZUOGOJBFA-STQMWFEESA-N -1 1 363.435 2.440 20 0 FEADMM CC(C)(C)NC(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801357619 674123996 /nfs/dbraw/zinc/12/39/96/674123996.db2.gz BYPVLZPYOCYRBK-UHFFFAOYSA-N -1 1 351.790 2.303 20 0 FEADMM CN(CC1CC1)C(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359934 674124317 /nfs/dbraw/zinc/12/43/17/674124317.db2.gz OVTMMGKKSCPXOI-UHFFFAOYSA-N -1 1 363.801 2.257 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@@H](C)CC ZINC000551167411 674127813 /nfs/dbraw/zinc/12/78/13/674127813.db2.gz KCUQGZRSMNUWOM-FZMZJTMJSA-N -1 1 360.476 2.369 20 0 FEADMM CO[C@@H](CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)C ZINC000073216079 541930390 /nfs/dbraw/zinc/93/03/90/541930390.db2.gz XODKNGIJBPUPRS-INIZCTEOSA-N -1 1 372.469 2.250 20 0 FEADMM Cn1c(C2CCN(C(=O)[C@](C)(O)Cc3ccccc3)CC2)n[n-]c1=S ZINC000073433058 541953936 /nfs/dbraw/zinc/95/39/36/541953936.db2.gz ZYABIHLQOUEIDT-GOSISDBHSA-N -1 1 360.483 2.177 20 0 FEADMM Cc1ccc(OCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000074162378 542045103 /nfs/dbraw/zinc/04/51/03/542045103.db2.gz YCBSKLQRAJJZPI-UHFFFAOYSA-N -1 1 368.437 2.342 20 0 FEADMM CCO[C@@H](CCNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)C ZINC000074290815 542065091 /nfs/dbraw/zinc/06/50/91/542065091.db2.gz PTXQGDPPCQBBJW-AWEZNQCLSA-N -1 1 355.504 2.300 20 0 FEADMM CCS(=O)(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075943317 542217506 /nfs/dbraw/zinc/21/75/06/542217506.db2.gz NLYVSOIPHUUPJM-UHFFFAOYSA-N -1 1 368.480 2.269 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)o1 ZINC000076852636 542326006 /nfs/dbraw/zinc/32/60/06/542326006.db2.gz RPVFWZQSBWXZQU-UHFFFAOYSA-N -1 1 358.441 2.353 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCC1 ZINC000551491144 674147252 /nfs/dbraw/zinc/14/72/52/674147252.db2.gz OSTGXWAUONYHRX-UHFFFAOYSA-N -1 1 362.854 2.406 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000049941954 221029095 /nfs/dbraw/zinc/02/90/95/221029095.db2.gz SZPRHXQPQJOOOI-GOSISDBHSA-N -1 1 354.406 2.009 20 0 FEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000055567605 221071491 /nfs/dbraw/zinc/07/14/91/221071491.db2.gz XQZRTMDKQIBGHW-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000068050441 221313635 /nfs/dbraw/zinc/31/36/35/221313635.db2.gz WKMPWWGFEYFHOD-UHFFFAOYSA-N -1 1 373.478 2.183 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000079970103 542554510 /nfs/dbraw/zinc/55/45/10/542554510.db2.gz QLDDXESULXWEOG-VWLOTQADSA-N -1 1 361.467 2.043 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000080947632 542617964 /nfs/dbraw/zinc/61/79/64/542617964.db2.gz UDHBMEDUVOZDEI-BETUJISGSA-N -1 1 372.494 2.425 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000081557323 542664838 /nfs/dbraw/zinc/66/48/38/542664838.db2.gz UEPMFGRCKMBCBG-UHFFFAOYSA-N -1 1 366.425 2.268 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)o1 ZINC000092264786 542852571 /nfs/dbraw/zinc/85/25/71/542852571.db2.gz VRMQHFVPPZHDSZ-UHFFFAOYSA-N -1 1 352.412 2.107 20 0 FEADMM Cn1cnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000092265957 542852824 /nfs/dbraw/zinc/85/28/24/542852824.db2.gz AUHLOLKFROJIMY-UHFFFAOYSA-N -1 1 355.634 2.254 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc12 ZINC000093909401 542945096 /nfs/dbraw/zinc/94/50/96/542945096.db2.gz FKPBIYRKDKVSOP-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc12 ZINC000093909401 542945099 /nfs/dbraw/zinc/94/50/99/542945099.db2.gz FKPBIYRKDKVSOP-UHFFFAOYSA-N -1 1 358.423 2.374 20 0 FEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094097572 542951135 /nfs/dbraw/zinc/95/11/35/542951135.db2.gz DYHBBCLSULAGPC-JTQLQIEISA-N -1 1 352.387 2.012 20 0 FEADMM Cc1nc(SCC(=O)NCCc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000096641703 543000169 /nfs/dbraw/zinc/00/01/69/543000169.db2.gz IGNQZRBRQKLWJQ-UHFFFAOYSA-N -1 1 351.859 2.491 20 0 FEADMM O=C(CCCCc1ccc(I)cc1)Nc1nnn[n-]1 ZINC000102895344 543084201 /nfs/dbraw/zinc/08/42/01/543084201.db2.gz OWRJMYMIRZGJCZ-UHFFFAOYSA-N -1 1 371.182 2.156 20 0 FEADMM O=C(CCCCc1ccc(I)cc1)Nc1nn[n-]n1 ZINC000102895344 543084203 /nfs/dbraw/zinc/08/42/03/543084203.db2.gz OWRJMYMIRZGJCZ-UHFFFAOYSA-N -1 1 371.182 2.156 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)CC2CCCCC2)C2CCOCC2)n1 ZINC000551887268 674168900 /nfs/dbraw/zinc/16/89/00/674168900.db2.gz FLDHBAIFLLLOJR-HNNXBMFYSA-N -1 1 357.476 2.345 20 0 FEADMM CC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nc(C)cs1 ZINC000104939625 543151547 /nfs/dbraw/zinc/15/15/47/543151547.db2.gz PQWNGCYFZOMYPW-CYBMUJFWSA-N -1 1 359.455 2.214 20 0 FEADMM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000104929504 543151121 /nfs/dbraw/zinc/15/11/21/543151121.db2.gz VFWGTNUZACMHOA-JTQLQIEISA-N -1 1 357.740 2.494 20 0 FEADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000105590582 543177628 /nfs/dbraw/zinc/17/76/28/543177628.db2.gz CEQQBFLVHWEFRK-UHFFFAOYSA-N -1 1 366.414 2.450 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCN(C)c2ccccc2)o1 ZINC000107699831 543276117 /nfs/dbraw/zinc/27/61/17/543276117.db2.gz ONJFDRYWBPWFHS-UHFFFAOYSA-N -1 1 366.439 2.261 20 0 FEADMM O=S(=O)(Cc1nnsc1Cl)c1n[n-]c(CCC2CCCC2)n1 ZINC000108592709 543296402 /nfs/dbraw/zinc/29/64/02/543296402.db2.gz OZOMGIUBIJWQJL-UHFFFAOYSA-N -1 1 361.880 2.406 20 0 FEADMM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncc([O-])c3)n2)o1 ZINC000109937471 543344604 /nfs/dbraw/zinc/34/46/04/543344604.db2.gz IEIORQDAGMRVNC-UHFFFAOYSA-N -1 1 358.379 2.392 20 0 FEADMM O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1cncc([O-])c1 ZINC000109957796 543344857 /nfs/dbraw/zinc/34/48/57/543344857.db2.gz TZNOGGIIPGJGBC-NSHDSACASA-N -1 1 357.193 2.264 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000110888537 543372237 /nfs/dbraw/zinc/37/22/37/543372237.db2.gz VKFHQKUYCGFLRW-AWEZNQCLSA-N -1 1 373.482 2.157 20 0 FEADMM O=C(NCc1ccco1)c1cccc(CNC(=O)c2cncc([O-])c2)c1 ZINC000111572161 543406739 /nfs/dbraw/zinc/40/67/39/543406739.db2.gz IXMBEOFPQXFBJN-UHFFFAOYSA-N -1 1 351.362 2.240 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000551945081 674175268 /nfs/dbraw/zinc/17/52/68/674175268.db2.gz KGXGUCDQZHXCDQ-UHFFFAOYSA-N -1 1 374.871 2.351 20 0 FEADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4[nH]ccc4c3)cc2n(C)c1=O ZINC000112617401 543454217 /nfs/dbraw/zinc/45/42/17/543454217.db2.gz JSMVGSUGOPZQFP-UHFFFAOYSA-N -1 1 356.407 2.159 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCOc1ccc(F)cc1 ZINC000114411635 543513835 /nfs/dbraw/zinc/51/38/35/543513835.db2.gz RYPQPZMXJJZLHF-UHFFFAOYSA-N -1 1 372.400 2.254 20 0 FEADMM COc1cccc([C@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114412736 543513976 /nfs/dbraw/zinc/51/39/76/543513976.db2.gz JRJYEJSHNWVWDI-NSHDSACASA-N -1 1 354.410 2.068 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc2ccccc2nc1C ZINC000114412653 543513978 /nfs/dbraw/zinc/51/39/78/543513978.db2.gz GUSIAMTXXIRLBT-UHFFFAOYSA-N -1 1 361.405 2.426 20 0 FEADMM Cc1cc(OCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1Cl ZINC000114412232 543514063 /nfs/dbraw/zinc/51/40/63/543514063.db2.gz YDTVFBAQBGVGOP-UHFFFAOYSA-N -1 1 374.828 2.296 20 0 FEADMM O=C(CN1CSCC1=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552025950 674182995 /nfs/dbraw/zinc/18/29/95/674182995.db2.gz ROUROMOGKCXJCL-UHFFFAOYSA-N -1 1 365.636 2.280 20 0 FEADMM Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000122533643 543708249 /nfs/dbraw/zinc/70/82/49/543708249.db2.gz GGPWXZQXPUOKCC-UHFFFAOYSA-N -1 1 365.437 2.010 20 0 FEADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000124350051 543815704 /nfs/dbraw/zinc/81/57/04/543815704.db2.gz PMLNZMYXEAQENI-NSHDSACASA-N -1 1 359.821 2.223 20 0 FEADMM C[C@H](CN(C)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1nn[n-]n1 ZINC000124367782 543817540 /nfs/dbraw/zinc/81/75/40/543817540.db2.gz AMAYUDSVGWLTHJ-MNOVXSKESA-N -1 1 359.459 2.132 20 0 FEADMM C[C@@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1O)c1nn[n-]n1 ZINC000124574521 543830269 /nfs/dbraw/zinc/83/02/69/543830269.db2.gz UQXCRINXSFATME-ZDUSSCGKSA-N -1 1 367.409 2.360 20 0 FEADMM C[C@H](C(=O)Nc1cc(Cl)ccc1F)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127176806 543976762 /nfs/dbraw/zinc/97/67/62/543976762.db2.gz NSSFMPRYVXCTML-SSDOTTSWSA-N -1 1 372.809 2.276 20 0 FEADMM Cc1ccc([C@@H]2CN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CCO2)o1 ZINC000127396780 543990178 /nfs/dbraw/zinc/99/01/78/543990178.db2.gz VPWFXPXCABAAPG-AWEZNQCLSA-N -1 1 359.426 2.491 20 0 FEADMM Cc1ccc([C@H]2CN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CCO2)o1 ZINC000127397050 543990448 /nfs/dbraw/zinc/99/04/48/543990448.db2.gz VPWFXPXCABAAPG-CQSZACIVSA-N -1 1 359.426 2.491 20 0 FEADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(C(N)=O)c3)cc2F)c1 ZINC000128362162 544048210 /nfs/dbraw/zinc/04/82/10/544048210.db2.gz TYOWAMYNRYYYPR-UHFFFAOYSA-N -1 1 374.397 2.220 20 0 FEADMM O=C(CCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc2c(c1)CCCC2 ZINC000129399381 544109951 /nfs/dbraw/zinc/10/99/51/544109951.db2.gz KOGNOVPMYCZZPB-QGZVFWFLSA-N -1 1 367.453 2.448 20 0 FEADMM Cn1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(-c2ccccc2Cl)n1 ZINC000129460909 544113594 /nfs/dbraw/zinc/11/35/94/544113594.db2.gz XBXASDWRCXONDX-NSHDSACASA-N -1 1 371.832 2.273 20 0 FEADMM Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000129620812 544121049 /nfs/dbraw/zinc/12/10/49/544121049.db2.gz VXBAUDUYIMAMJV-LBPRGKRZSA-N -1 1 351.399 2.432 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCc2csc(C(C)(C)C)n2)c1Cl ZINC000130150636 544140557 /nfs/dbraw/zinc/14/05/57/544140557.db2.gz LOYJJHZDOKGHSB-UHFFFAOYSA-N -1 1 362.908 2.349 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1N(C)S(C)(=O)=O ZINC000130269953 544144921 /nfs/dbraw/zinc/14/49/21/544144921.db2.gz SKEVWGPGUTXXMF-UHFFFAOYSA-N -1 1 354.453 2.192 20 0 FEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-n2cn[nH]c2=O)c1 ZINC000130669397 544160029 /nfs/dbraw/zinc/16/00/29/544160029.db2.gz DDELEOZKFVJUCX-UHFFFAOYSA-N -1 1 364.814 2.323 20 0 FEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(O)c3F)c(Cl)cc2N1 ZINC000131530690 544194215 /nfs/dbraw/zinc/19/42/15/544194215.db2.gz MLJQNWHBHWXZBG-UHFFFAOYSA-N -1 1 356.762 2.480 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1)c1ccc(OC)cc1 ZINC000552210012 674195150 /nfs/dbraw/zinc/19/51/50/674195150.db2.gz IXFCDXJJOPDGTC-MRXNPFEDSA-N -1 1 367.398 2.335 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC2(Cc3ccc(F)cc3)CC2)o1 ZINC000802791739 674198458 /nfs/dbraw/zinc/19/84/58/674198458.db2.gz YFOPWDLRYDGVFF-UHFFFAOYSA-N -1 1 353.371 2.259 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)co1 ZINC000132199754 544222878 /nfs/dbraw/zinc/22/28/78/544222878.db2.gz RHJXMNPKQJJZJD-VIFPVBQESA-N -1 1 357.457 2.094 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc(O)c(F)c1 ZINC000133105287 544256706 /nfs/dbraw/zinc/25/67/06/544256706.db2.gz QQEXGJLVWKHNNJ-UHFFFAOYSA-N -1 1 358.373 2.145 20 0 FEADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000134540650 544312379 /nfs/dbraw/zinc/31/23/79/544312379.db2.gz IAKQACUBEYZDJG-UHFFFAOYSA-N -1 1 370.257 2.380 20 0 FEADMM COC(=O)Cc1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)n[nH]1 ZINC000135165110 544336538 /nfs/dbraw/zinc/33/65/38/544336538.db2.gz CWFCKLFOUVAKIK-UHFFFAOYSA-N -1 1 361.745 2.081 20 0 FEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000137290782 544388391 /nfs/dbraw/zinc/38/83/91/544388391.db2.gz VTAPWGVHTMAHMD-JTQLQIEISA-N -1 1 356.430 2.425 20 0 FEADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000140882838 544410708 /nfs/dbraw/zinc/41/07/08/544410708.db2.gz AGNPYZQHWCOXDK-UHFFFAOYSA-N -1 1 369.472 2.094 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCCCC3)nn2C)o1 ZINC000151032207 544497989 /nfs/dbraw/zinc/49/79/89/544497989.db2.gz ANQDIZBDNQGWNP-UHFFFAOYSA-N -1 1 366.443 2.221 20 0 FEADMM C[C@@H](CO)[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000151176976 544513580 /nfs/dbraw/zinc/51/35/80/544513580.db2.gz XGGMWSSHFVWYAD-UONOGXRCSA-N -1 1 362.451 2.234 20 0 FEADMM C[C@H](CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)C(=O)c1ccc(Cl)cc1 ZINC000152574198 544669968 /nfs/dbraw/zinc/66/99/68/544669968.db2.gz LCWHBILRBOXSSN-YPMHNXCESA-N -1 1 361.833 2.468 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000152777439 544694915 /nfs/dbraw/zinc/69/49/15/544694915.db2.gz BAPKKUPHVTZKLO-UHFFFAOYSA-N -1 1 365.802 2.330 20 0 FEADMM CCn1c2ccc(Br)cc2nc1[N-]S(=O)(=O)CCOC ZINC000153358843 544765129 /nfs/dbraw/zinc/76/51/29/544765129.db2.gz NAYVPCDIKGEDOL-UHFFFAOYSA-N -1 1 362.249 2.207 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)co1 ZINC000153810894 544827131 /nfs/dbraw/zinc/82/71/31/544827131.db2.gz DNUKXBMJMCQONL-JTQLQIEISA-N -1 1 372.830 2.038 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])[C@]1(O)CCc2ccccc2C1 ZINC000803172369 674226483 /nfs/dbraw/zinc/22/64/83/674226483.db2.gz NJKTZRIAIWKVKC-INIZCTEOSA-N -1 1 363.211 2.408 20 0 FEADMM COC(=O)C(C)(C)C(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000803402769 674240565 /nfs/dbraw/zinc/24/05/65/674240565.db2.gz NIMQDKRNUDTTGF-UHFFFAOYSA-N -1 1 359.172 2.080 20 0 FEADMM O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cc(=O)n2[n-]cnc2n1 ZINC000553303791 674251783 /nfs/dbraw/zinc/25/17/83/674251783.db2.gz JSTHKCSNFQXYEJ-UHFFFAOYSA-N -1 1 362.321 2.217 20 0 FEADMM CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804139303 674272906 /nfs/dbraw/zinc/27/29/06/674272906.db2.gz OEIVDQKWEQDCNS-UHFFFAOYSA-N -1 1 372.435 2.402 20 0 FEADMM NC(=O)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000179501056 327646738 /nfs/dbraw/zinc/64/67/38/327646738.db2.gz KORXQCXUWWQMQU-UHFFFAOYSA-N -1 1 363.211 2.282 20 0 FEADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC000180257009 327678165 /nfs/dbraw/zinc/67/81/65/327678165.db2.gz PNMXIRAPUAQVJB-UHFFFAOYSA-N -1 1 358.416 2.042 20 0 FEADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC(F)(F)CO)s2)cs1 ZINC000184296605 327860721 /nfs/dbraw/zinc/86/07/21/327860721.db2.gz DYMXQZUNRXXCST-UHFFFAOYSA-N -1 1 354.425 2.086 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)o1 ZINC000184938715 327890860 /nfs/dbraw/zinc/89/08/60/327890860.db2.gz BSDRULCMVLJRBE-JTQLQIEISA-N -1 1 370.377 2.096 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000184966754 327892539 /nfs/dbraw/zinc/89/25/39/327892539.db2.gz KPXHYLPBQQZOBI-OAHLLOKOSA-N -1 1 368.499 2.400 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC[C@H]1O ZINC000186633114 327971921 /nfs/dbraw/zinc/97/19/21/327971921.db2.gz HPLYMMIQNSMFCX-KBXCAEBGSA-N -1 1 374.462 2.330 20 0 FEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000187475095 328028209 /nfs/dbraw/zinc/02/82/09/328028209.db2.gz WHWPTKZKHMDEGR-HNNXBMFYSA-N -1 1 372.446 2.255 20 0 FEADMM NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188000717 328059577 /nfs/dbraw/zinc/05/95/77/328059577.db2.gz UAHAKLGWIOIYEY-HTQZYQBOSA-N -1 1 369.245 2.455 20 0 FEADMM CN(CC1(CO)CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000189130803 328130124 /nfs/dbraw/zinc/13/01/24/328130124.db2.gz GCVTXVLFXBCSGA-UHFFFAOYSA-N -1 1 374.462 2.332 20 0 FEADMM CCc1c([N-]S(=O)(=O)CCOCCOC)cnn1-c1ccccc1C ZINC000189456447 328149539 /nfs/dbraw/zinc/14/95/39/328149539.db2.gz GZOWULUUXAAADP-UHFFFAOYSA-N -1 1 367.471 2.148 20 0 FEADMM CCc1cc2c(CN3CC[C@@H](C)S(=O)(=O)CC3)cc(=O)oc2cc1[O-] ZINC000191756133 328280333 /nfs/dbraw/zinc/28/03/33/328280333.db2.gz MNVQJKIATQPFAH-GFCCVEGCSA-N -1 1 365.451 2.070 20 0 FEADMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191891031 328286952 /nfs/dbraw/zinc/28/69/52/328286952.db2.gz ZZQFEJQNRPVWFE-SECBINFHSA-N -1 1 371.261 2.132 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000192658460 328331223 /nfs/dbraw/zinc/33/12/23/328331223.db2.gz RPRVCNXXIMHLLQ-SNVBAGLBSA-N -1 1 353.304 2.067 20 0 FEADMM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cn1 ZINC000192997772 328351357 /nfs/dbraw/zinc/35/13/57/328351357.db2.gz CLDUZPCJLTVUTP-UHFFFAOYSA-N -1 1 357.345 2.484 20 0 FEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cccc(-c4cc[nH]n4)c3)ccc21 ZINC000031534637 324468709 /nfs/dbraw/zinc/46/87/09/324468709.db2.gz VMIKGKLAXVAJAC-UHFFFAOYSA-N -1 1 368.418 2.396 20 0 FEADMM Cc1ncc(CN(C)C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000195481348 328479592 /nfs/dbraw/zinc/47/95/92/328479592.db2.gz QVYBMMPLGDLJKB-UHFFFAOYSA-N -1 1 359.455 2.408 20 0 FEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000044668026 324563909 /nfs/dbraw/zinc/56/39/09/324563909.db2.gz MLNSKRGTXDZMLT-UHFFFAOYSA-N -1 1 358.419 2.445 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2[O-])CCO1 ZINC000220264200 328482801 /nfs/dbraw/zinc/48/28/01/328482801.db2.gz ZPFWEAVEXOYNLB-SCZZXKLOSA-N -1 1 361.179 2.294 20 0 FEADMM CNC(=O)c1sc2[n-]c(COc3ccc(OC)cc3)nc(=O)c2c1C ZINC000063579673 324866651 /nfs/dbraw/zinc/86/66/51/324866651.db2.gz BNQCOTHMWXXIID-UHFFFAOYSA-N -1 1 359.407 2.240 20 0 FEADMM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000079004050 325071357 /nfs/dbraw/zinc/07/13/57/325071357.db2.gz HOLVWKSDOFNLHV-HNNXBMFYSA-N -1 1 369.465 2.218 20 0 FEADMM CSC1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCOCC1 ZINC000081941364 325203304 /nfs/dbraw/zinc/20/33/04/325203304.db2.gz ASOKMRUWZBICCV-UHFFFAOYSA-N -1 1 353.488 2.018 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000085291321 325250699 /nfs/dbraw/zinc/25/06/99/325250699.db2.gz LIPKKOSJDOAMPD-UHFFFAOYSA-N -1 1 366.421 2.147 20 0 FEADMM CC(C)n1c(CNC(=O)c2cccnc2OCC(F)F)n[n-]c1=S ZINC000089822769 325335485 /nfs/dbraw/zinc/33/54/85/325335485.db2.gz SPOLPZIBFKTLMV-UHFFFAOYSA-N -1 1 357.386 2.490 20 0 FEADMM CC(C)(C)n1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cn1 ZINC000091161282 325376207 /nfs/dbraw/zinc/37/62/07/325376207.db2.gz XRVSKUYYWJKRSY-UHFFFAOYSA-N -1 1 354.407 2.401 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)O)cc2)cc1C ZINC000098078131 325466032 /nfs/dbraw/zinc/46/60/32/325466032.db2.gz CQGSXXJFPNMZIJ-AWEZNQCLSA-N -1 1 362.451 2.215 20 0 FEADMM CCc1nc(CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000102378597 325491748 /nfs/dbraw/zinc/49/17/48/325491748.db2.gz ZKLXKYLHZFPAMO-UHFFFAOYSA-N -1 1 373.482 2.362 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000104015977 325530907 /nfs/dbraw/zinc/53/09/07/325530907.db2.gz AKAJNEGVAQERCG-UHFFFAOYSA-N -1 1 358.829 2.494 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000104852716 325548456 /nfs/dbraw/zinc/54/84/56/325548456.db2.gz CWUJAKPCSXWTOY-UHFFFAOYSA-N -1 1 368.412 2.169 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000104863622 325548885 /nfs/dbraw/zinc/54/88/85/325548885.db2.gz WUADDBDKPLWHSO-MRXNPFEDSA-N -1 1 354.385 2.125 20 0 FEADMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc([O-])c(Cl)c1 ZINC000111668185 325729977 /nfs/dbraw/zinc/72/99/77/325729977.db2.gz RJGVYSDUBATGFW-UHFFFAOYSA-N -1 1 359.769 2.078 20 0 FEADMM CC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)COC1 ZINC000112693594 325799501 /nfs/dbraw/zinc/79/95/01/325799501.db2.gz CQDBOTPQDCZIQP-UHFFFAOYSA-N -1 1 360.435 2.254 20 0 FEADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000112849704 325808511 /nfs/dbraw/zinc/80/85/11/325808511.db2.gz ICEWVAKYZMMMQK-SECBINFHSA-N -1 1 364.261 2.050 20 0 FEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCCC1 ZINC000113304236 325840974 /nfs/dbraw/zinc/84/09/74/325840974.db2.gz WNKFEPHGZCAZKC-UHFFFAOYSA-N -1 1 364.389 2.031 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ncccc2C)C(C)C)o1 ZINC000115405948 325957241 /nfs/dbraw/zinc/95/72/41/325957241.db2.gz RXTPMLHXNIFHAE-AWEZNQCLSA-N -1 1 351.428 2.018 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116202175 325998278 /nfs/dbraw/zinc/99/82/78/325998278.db2.gz WOROIHGGZPOCKK-NWDGAFQWSA-N -1 1 372.375 2.338 20 0 FEADMM C[C@H](c1nc(-c2cccs2)no1)N1CCN(CCCC(=O)[O-])CC1 ZINC000116402330 326011914 /nfs/dbraw/zinc/01/19/14/326011914.db2.gz RBGRVBJYZRKMLK-GFCCVEGCSA-N -1 1 350.444 2.342 20 0 FEADMM O=C(Nc1nnn[n-]1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000118685903 326097164 /nfs/dbraw/zinc/09/71/64/326097164.db2.gz IIRSCTIPSMZLBS-UHFFFAOYSA-N -1 1 372.182 2.446 20 0 FEADMM O=C(Nc1nn[n-]n1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000118685903 326097166 /nfs/dbraw/zinc/09/71/66/326097166.db2.gz IIRSCTIPSMZLBS-UHFFFAOYSA-N -1 1 372.182 2.446 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCN(c3ccccc3)C1)c2=O ZINC000119256889 326142290 /nfs/dbraw/zinc/14/22/90/326142290.db2.gz GYHOGVKKMJHVBJ-CYBMUJFWSA-N -1 1 351.410 2.073 20 0 FEADMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119293983 326146312 /nfs/dbraw/zinc/14/63/12/326146312.db2.gz JYGHNGUOZDVYFQ-GFCCVEGCSA-N -1 1 354.410 2.386 20 0 FEADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119311158 326148410 /nfs/dbraw/zinc/14/84/10/326148410.db2.gz KADJOIFIMVMKQI-QYOLQKOISA-N -1 1 372.450 2.245 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(OCC(F)(F)F)n1 ZINC000119569747 326176093 /nfs/dbraw/zinc/17/60/93/326176093.db2.gz WYROWZMWCPPAMW-UHFFFAOYSA-N -1 1 355.198 2.412 20 0 FEADMM O=C([N-]OCc1cccnc1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000120797652 326289006 /nfs/dbraw/zinc/28/90/06/326289006.db2.gz GULWXUYBSGQSDG-LBPRGKRZSA-N -1 1 363.776 2.475 20 0 FEADMM CCOC(=O)C(=C([O-])Cn1nnc(-c2ccccc2)n1)c1nc(C)cs1 ZINC000120801797 326289451 /nfs/dbraw/zinc/28/94/51/326289451.db2.gz LHJPHOFGXXULGG-CQSZACIVSA-N -1 1 371.422 2.021 20 0 FEADMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120831452 326291484 /nfs/dbraw/zinc/29/14/84/326291484.db2.gz VKTTVBZJUZSMLK-JGVFFNPUSA-N -1 1 372.231 2.413 20 0 FEADMM O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000121122958 326314878 /nfs/dbraw/zinc/31/48/78/326314878.db2.gz ZCVLVRTVCWJNLN-UHFFFAOYSA-N -1 1 360.797 2.349 20 0 FEADMM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121593686 326350585 /nfs/dbraw/zinc/35/05/85/326350585.db2.gz PXEJUSIOMKVUSA-LHLIQPBNSA-N -1 1 356.188 2.183 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Cn2cncn2)c1 ZINC000121919604 326375927 /nfs/dbraw/zinc/37/59/27/326375927.db2.gz AEENZVJJKCYDAM-UHFFFAOYSA-N -1 1 351.366 2.243 20 0 FEADMM CCCCn1ncc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000122329699 326392782 /nfs/dbraw/zinc/39/27/82/326392782.db2.gz DLCMPBDAHWJEQE-UHFFFAOYSA-N -1 1 356.430 2.126 20 0 FEADMM C[C@H](CCCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000122450991 326397435 /nfs/dbraw/zinc/39/74/35/326397435.db2.gz XXPWPOHCNHWHPB-KDOFPFPSSA-N -1 1 370.449 2.427 20 0 FEADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000122534267 326400461 /nfs/dbraw/zinc/40/04/61/326400461.db2.gz AAKAVRHVYGHCNK-SECBINFHSA-N -1 1 354.815 2.184 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC000123185486 326422928 /nfs/dbraw/zinc/42/29/28/326422928.db2.gz ABBDNXBHQJKVHZ-CQSZACIVSA-N -1 1 360.458 2.384 20 0 FEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000123280690 326426200 /nfs/dbraw/zinc/42/62/00/326426200.db2.gz HEGZIXDRNYAOQB-HZPDHXFCSA-N -1 1 374.485 2.234 20 0 FEADMM CCN(CC)C(=O)C1(NC(=O)c2nc3ccccc3c(=O)[n-]2)CCCCC1 ZINC000131633811 326578630 /nfs/dbraw/zinc/57/86/30/326578630.db2.gz PGXGMAFSTWUEAW-UHFFFAOYSA-N -1 1 370.453 2.224 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2c[nH]c3ccccc23)co1 ZINC000132407133 326592195 /nfs/dbraw/zinc/59/21/95/326592195.db2.gz KDXXTXVAWHSSMU-UHFFFAOYSA-N -1 1 361.423 2.032 20 0 FEADMM COCCOCCCC[N-]S(=O)(=O)c1sccc1Br ZINC000133978390 326617958 /nfs/dbraw/zinc/61/79/58/326617958.db2.gz IBBDUUGGUZEYIY-UHFFFAOYSA-N -1 1 372.306 2.232 20 0 FEADMM O=S(=O)([N-][C@@H]1CCCC[C@@H]1CO)c1sccc1Br ZINC000134041284 326618852 /nfs/dbraw/zinc/61/88/52/326618852.db2.gz LCWHSNQSYRSJIK-PSASIEDQSA-N -1 1 354.291 2.340 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H](C)c2ccc(OC)cc2)o1 ZINC000150762924 326667349 /nfs/dbraw/zinc/66/73/49/326667349.db2.gz VTTGWARSOIIKCE-LBPRGKRZSA-N -1 1 366.439 2.120 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)o1 ZINC000154480317 326761223 /nfs/dbraw/zinc/76/12/23/326761223.db2.gz UCMGIVJPAGEXMJ-JHJVBQTASA-N -1 1 370.471 2.044 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)o1 ZINC000155399455 326787036 /nfs/dbraw/zinc/78/70/36/326787036.db2.gz NVMLPZCHOOFPGR-UHFFFAOYSA-N -1 1 368.386 2.368 20 0 FEADMM C[C@H](CO)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000156228549 326822734 /nfs/dbraw/zinc/82/27/34/326822734.db2.gz XIVFGEOJGDFDQX-JTQLQIEISA-N -1 1 364.348 2.281 20 0 FEADMM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000162652861 327030983 /nfs/dbraw/zinc/03/09/83/327030983.db2.gz DMWARWXPNRCFEO-QAPCUYQASA-N -1 1 368.433 2.397 20 0 FEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1C ZINC000164796588 327074329 /nfs/dbraw/zinc/07/43/29/327074329.db2.gz CFTPIQMVBZHFJM-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM CC(C)OCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000169027828 327087815 /nfs/dbraw/zinc/08/78/15/327087815.db2.gz LGRDDGIHHCWOFV-UHFFFAOYSA-N -1 1 357.657 2.201 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)CN1c1ccccc1 ZINC000171084430 327116507 /nfs/dbraw/zinc/11/65/07/327116507.db2.gz YGCUHFIFGYIMLA-LLVKDONJSA-N -1 1 352.362 2.049 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173200475 327240867 /nfs/dbraw/zinc/24/08/67/327240867.db2.gz SNGPBCVLBYEVCN-RKDXNWHRSA-N -1 1 354.288 2.337 20 0 FEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C(=O)N1c1ccccc1 ZINC000173685500 327276688 /nfs/dbraw/zinc/27/66/88/327276688.db2.gz LKORWUOGPPUSIE-FZMZJTMJSA-N -1 1 366.389 2.437 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000174385210 327324077 /nfs/dbraw/zinc/32/40/77/327324077.db2.gz JTWJBQZLOPQAPN-UHFFFAOYSA-N -1 1 359.411 2.280 20 0 FEADMM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000174586368 327336321 /nfs/dbraw/zinc/33/63/21/327336321.db2.gz MXWYCXNIKPZLAC-UHFFFAOYSA-N -1 1 361.402 2.032 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000174938331 327362262 /nfs/dbraw/zinc/36/22/62/327362262.db2.gz ZYRIFFWZEMZTTF-UHFFFAOYSA-N -1 1 369.469 2.301 20 0 FEADMM C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000175060625 327371352 /nfs/dbraw/zinc/37/13/52/327371352.db2.gz KEDOTEBUWAAFST-XEFZIOHMSA-N -1 1 359.518 2.165 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000175133712 327376124 /nfs/dbraw/zinc/37/61/24/327376124.db2.gz ROAQWIBRJOIBEM-UHFFFAOYSA-N -1 1 365.380 2.463 20 0 FEADMM COc1ccc(CN2CC[C@@H](NC(=O)c3cc(F)ccc3[O-])C2=O)cc1 ZINC000175239094 327381959 /nfs/dbraw/zinc/38/19/59/327381959.db2.gz IOQMUTMNAXQOCB-MRXNPFEDSA-N -1 1 358.369 2.071 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1)c1ccco1 ZINC000175356615 327388923 /nfs/dbraw/zinc/38/89/23/327388923.db2.gz NBQOBMKYVQEWJS-AWEZNQCLSA-N -1 1 356.375 2.043 20 0 FEADMM CC(C)(C)NS(=O)(=O)c1ccccc1C[N-]C(=O)C(F)(F)C(F)F ZINC000176200370 327440456 /nfs/dbraw/zinc/44/04/56/327440456.db2.gz KGPMNIGBWAKMAE-UHFFFAOYSA-N -1 1 370.368 2.280 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000176421644 327454891 /nfs/dbraw/zinc/45/48/91/327454891.db2.gz AHBAFOJMNJOMBA-UHFFFAOYSA-N -1 1 357.439 2.130 20 0 FEADMM CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000177779540 327544539 /nfs/dbraw/zinc/54/45/39/327544539.db2.gz RTXIQXJWGWMZAC-UHFFFAOYSA-N -1 1 374.462 2.474 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](O)C2)cc1 ZINC000178075776 327563492 /nfs/dbraw/zinc/56/34/92/327563492.db2.gz QXQNCUJDXCPBFD-HNNXBMFYSA-N -1 1 360.435 2.003 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000178355263 327580085 /nfs/dbraw/zinc/58/00/85/327580085.db2.gz JBQZUMSWKKZGIY-HNAYVOBHSA-N -1 1 360.458 2.042 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000264232130 329002819 /nfs/dbraw/zinc/00/28/19/329002819.db2.gz MROCNTCDTBNBBM-LLVKDONJSA-N -1 1 356.401 2.241 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2ccc(F)cc2)o1 ZINC000264288970 329007626 /nfs/dbraw/zinc/00/76/26/329007626.db2.gz JUEDDPGDMRJAJW-UHFFFAOYSA-N -1 1 354.403 2.034 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)o1 ZINC000264545642 329034380 /nfs/dbraw/zinc/03/43/80/329034380.db2.gz BPLMIRPKMQWTFE-CJNGLKHVSA-N -1 1 365.407 2.265 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000265670968 329148465 /nfs/dbraw/zinc/14/84/65/329148465.db2.gz RFTQHAKVIZCJIA-YUTCNCBUSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000265670968 329148466 /nfs/dbraw/zinc/14/84/66/329148466.db2.gz RFTQHAKVIZCJIA-YUTCNCBUSA-N -1 1 374.832 2.265 20 0 FEADMM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000265719427 329153534 /nfs/dbraw/zinc/15/35/34/329153534.db2.gz RDCPWISQCLGBIE-UHFFFAOYSA-N -1 1 369.468 2.424 20 0 FEADMM COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1nn[n-]n1 ZINC000266280730 329207709 /nfs/dbraw/zinc/20/77/09/329207709.db2.gz FIBRRKGRDYWQJS-UHFFFAOYSA-N -1 1 368.781 2.461 20 0 FEADMM COc1ccc(NC(=O)N(C)Cc2ccncc2)cc1[N-]S(C)(=O)=O ZINC000266979472 329279320 /nfs/dbraw/zinc/27/93/20/329279320.db2.gz SFPJBMPSIGUVPX-UHFFFAOYSA-N -1 1 364.427 2.126 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCS1 ZINC000267051154 329286657 /nfs/dbraw/zinc/28/66/57/329286657.db2.gz GEGKCUNWYNOUQK-LBPRGKRZSA-N -1 1 373.500 2.426 20 0 FEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000268133293 329388655 /nfs/dbraw/zinc/38/86/55/329388655.db2.gz IXCBSBOZTOJDQU-MFKMUULPSA-N -1 1 361.471 2.021 20 0 FEADMM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000268824558 329459141 /nfs/dbraw/zinc/45/91/41/329459141.db2.gz UVICVPHEVDRFDA-OAHLLOKOSA-N -1 1 351.449 2.105 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000269108633 329486596 /nfs/dbraw/zinc/48/65/96/329486596.db2.gz BSVHGTLMVVYPMF-VXGBXAGGSA-N -1 1 351.472 2.135 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)cc1 ZINC000269290761 329504450 /nfs/dbraw/zinc/50/44/50/329504450.db2.gz OEMDLZZRZVOLIQ-UHFFFAOYSA-N -1 1 363.439 2.036 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2OC(C)C)o1 ZINC000272609004 329796987 /nfs/dbraw/zinc/79/69/87/329796987.db2.gz KBFKLPSHQWKWLN-UHFFFAOYSA-N -1 1 356.375 2.366 20 0 FEADMM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000272645024 329800673 /nfs/dbraw/zinc/80/06/73/329800673.db2.gz GFNOFTXKMGIXAQ-GOEBONIOSA-N -1 1 371.389 2.112 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000272971290 329827298 /nfs/dbraw/zinc/82/72/98/329827298.db2.gz JFPZHJRJOSCAOC-ZBFHGGJFSA-N -1 1 360.458 2.097 20 0 FEADMM CC(C)OCCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000273077412 329835188 /nfs/dbraw/zinc/83/51/88/329835188.db2.gz PVQCBSXZWBVTBX-UHFFFAOYSA-N -1 1 370.471 2.320 20 0 FEADMM CCOCc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C)o3)n2)cc1 ZINC000273738058 329887871 /nfs/dbraw/zinc/88/78/71/329887871.db2.gz LSDWMSDZIXRARS-UHFFFAOYSA-N -1 1 363.395 2.441 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000274151813 329920576 /nfs/dbraw/zinc/92/05/76/329920576.db2.gz DSKKRDTYMYWPAO-DZGCQCFKSA-N -1 1 365.407 2.265 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCCS2(=O)=O)c1 ZINC000274760887 329977678 /nfs/dbraw/zinc/97/76/78/329977678.db2.gz GVPRFIJGQMHHHQ-LLVKDONJSA-N -1 1 362.245 2.369 20 0 FEADMM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)C[C@H]2CCOC2)c1 ZINC000275077545 330008222 /nfs/dbraw/zinc/00/82/22/330008222.db2.gz XYIGIZWHSJWHDG-QMMMGPOBSA-N -1 1 369.317 2.062 20 0 FEADMM CC[C@]1(CO)CCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000275204618 330021871 /nfs/dbraw/zinc/02/18/71/330021871.db2.gz IHFVPLSPIHLIJL-KRWDZBQOSA-N -1 1 353.488 2.156 20 0 FEADMM O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000275361426 330039482 /nfs/dbraw/zinc/03/94/82/330039482.db2.gz XNXWQSAFMUDCKW-RXMQYKEDSA-N -1 1 367.132 2.072 20 0 FEADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)Cc2cccc(C)c2)(C(=O)OC)C1(C)C ZINC000275969011 330107170 /nfs/dbraw/zinc/10/71/70/330107170.db2.gz NGRFDCNJJCJWEC-CRAIPNDOSA-N -1 1 369.483 2.161 20 0 FEADMM Cc1ccccc1C1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCC1 ZINC000276544610 330163100 /nfs/dbraw/zinc/16/31/00/330163100.db2.gz OOOLXKAKVRVARA-UHFFFAOYSA-N -1 1 360.435 2.408 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@@]4(C3)CCCN(C)C4=O)nc2)[n-]c(=O)c1C ZINC000364819630 330207733 /nfs/dbraw/zinc/20/77/33/330207733.db2.gz WNHIZPRQTWKLRZ-HXUWFJFHSA-N -1 1 367.453 2.310 20 0 FEADMM CCCc1nc([C@@H]([N-]S(=O)(=O)C[C@H](C)OC)c2ccccc2)no1 ZINC000367038595 330210152 /nfs/dbraw/zinc/21/01/52/330210152.db2.gz ZSSGLESVWBAOFR-WFASDCNBSA-N -1 1 353.444 2.066 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000367124279 330219807 /nfs/dbraw/zinc/21/98/07/330219807.db2.gz FFNYFKABCRJPNH-BZNIZROVSA-N -1 1 374.418 2.398 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)o1 ZINC000373634419 330247140 /nfs/dbraw/zinc/24/71/40/330247140.db2.gz DWGXDZUXIZYISO-VXGBXAGGSA-N -1 1 366.414 2.393 20 0 FEADMM COCCCONC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000805037095 674314437 /nfs/dbraw/zinc/31/44/37/674314437.db2.gz LIDYOPKVDZVCIZ-UHFFFAOYSA-N -1 1 364.423 2.185 20 0 FEADMM CO[C@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)C ZINC000805189935 674325107 /nfs/dbraw/zinc/32/51/07/674325107.db2.gz CHZPNDWWJZJOAO-RVMXOQNASA-N -1 1 367.412 2.144 20 0 FEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(C2CC2)no1 ZINC000554664961 674328892 /nfs/dbraw/zinc/32/88/92/674328892.db2.gz KQKMDXXJHFATGD-CYBMUJFWSA-N -1 1 365.411 2.351 20 0 FEADMM Cc1noc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)n1 ZINC000554977054 674344130 /nfs/dbraw/zinc/34/41/30/674344130.db2.gz KEKLOLGFNDPWDN-UHFFFAOYSA-N -1 1 363.171 2.324 20 0 FEADMM O=C(COC(=O)c1cn[n-]n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000805608257 674347354 /nfs/dbraw/zinc/34/73/54/674347354.db2.gz CCMNYIPDDTZMOJ-HNNXBMFYSA-N -1 1 360.370 2.068 20 0 FEADMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000555319393 674356437 /nfs/dbraw/zinc/35/64/37/674356437.db2.gz QXMHJJFXHVXYNN-UHFFFAOYSA-N -1 1 357.398 2.049 20 0 FEADMM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000555426372 674361182 /nfs/dbraw/zinc/36/11/82/674361182.db2.gz LMZWLVFMVUDFGR-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM COC(=O)Cn1ccc(N=C([O-])Nc2nnc(C=Cc3ccco3)s2)n1 ZINC000470434328 538835439 /nfs/dbraw/zinc/83/54/39/538835439.db2.gz JOKUOZFBVUEFCQ-PLNGDYQASA-N -1 1 374.382 2.315 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)co1 ZINC000158187630 545833323 /nfs/dbraw/zinc/83/33/23/545833323.db2.gz CNACDGKMTZYCOB-UHFFFAOYSA-N -1 1 358.803 2.410 20 0 FEADMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1-c1ccc(Cl)cc1 ZINC000478075749 561159540 /nfs/dbraw/zinc/15/95/40/561159540.db2.gz AJWWTCLBUXDEPA-JTQLQIEISA-N -1 1 359.821 2.223 20 0 FEADMM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000158656430 545882618 /nfs/dbraw/zinc/88/26/18/545882618.db2.gz PTUGMRSSNXGCSS-UHFFFAOYSA-N -1 1 362.333 2.042 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(CCO)Cc2ccc(C)o2)c(=O)[n-]1 ZINC000478377808 561165452 /nfs/dbraw/zinc/16/54/52/561165452.db2.gz GBBYYEWBNYTGOR-UHFFFAOYSA-N -1 1 365.455 2.068 20 0 FEADMM CCCCS(=O)(=O)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000478221470 561162461 /nfs/dbraw/zinc/16/24/61/561162461.db2.gz BWZAUQUSDZUWLT-UHFFFAOYSA-N -1 1 372.468 2.185 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(CO)C3)c2)c1 ZINC000159098626 545921581 /nfs/dbraw/zinc/92/15/81/545921581.db2.gz LTELNLRZIGHUQR-UHFFFAOYSA-N -1 1 374.462 2.169 20 0 FEADMM CCCOc1nc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc2ccccc21 ZINC000478574373 561169998 /nfs/dbraw/zinc/16/99/98/561169998.db2.gz GCNWXEZNEPJSSK-LBPRGKRZSA-N -1 1 354.414 2.412 20 0 FEADMM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000478600402 561170739 /nfs/dbraw/zinc/17/07/39/561170739.db2.gz IVJOPIJMPFLYAF-JTQLQIEISA-N -1 1 364.475 2.430 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCOC2CCCCC2)o1 ZINC000479184945 561183687 /nfs/dbraw/zinc/18/36/87/561183687.db2.gz NPNQCRNPVBONLH-UHFFFAOYSA-N -1 1 359.444 2.474 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1)c1ccc2ncsc2c1 ZINC000479504602 561190846 /nfs/dbraw/zinc/19/08/46/561190846.db2.gz SAUPIYBPJTYBAY-UHFFFAOYSA-N -1 1 358.408 2.277 20 0 FEADMM O=C(CCc1ccccc1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000176273071 546426515 /nfs/dbraw/zinc/42/65/15/546426515.db2.gz DYWOQURTQIZUFJ-UHFFFAOYSA-N -1 1 353.422 2.095 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(OCC(=O)N(C)C)c2)c1 ZINC000176691572 546476439 /nfs/dbraw/zinc/47/64/39/546476439.db2.gz HJVRQJBWKKVTGA-UHFFFAOYSA-N -1 1 366.414 2.402 20 0 FEADMM CCC[C@H](NC(=O)c1ccccc1I)c1nn[n-]n1 ZINC000176756360 546484183 /nfs/dbraw/zinc/48/41/83/546484183.db2.gz LSTNGWUFGJHWNH-JTQLQIEISA-N -1 1 371.182 2.076 20 0 FEADMM CCC[C@H](NC(=O)COc1ccc(Br)cc1F)c1nn[n-]n1 ZINC000176768788 546485963 /nfs/dbraw/zinc/48/59/63/546485963.db2.gz QBTZHDDYTHSAJU-JTQLQIEISA-N -1 1 372.198 2.138 20 0 FEADMM CCC[C@@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nn[n-]n1 ZINC000176775946 546486225 /nfs/dbraw/zinc/48/62/25/546486225.db2.gz AMNFUEUDNSKSFZ-YMAMQOFZSA-N -1 1 362.478 2.022 20 0 FEADMM CCC[C@@H](NC(=O)CCNc1cc(Cl)ccc1OC)c1nn[n-]n1 ZINC000176786131 546487760 /nfs/dbraw/zinc/48/77/60/546487760.db2.gz SUVIQHKIKDMORB-LLVKDONJSA-N -1 1 352.826 2.321 20 0 FEADMM O=C([O-])[C@H]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000178899460 546870065 /nfs/dbraw/zinc/87/00/65/546870065.db2.gz RIGKVRZCIIUUMO-GWCFXTLKSA-N -1 1 358.316 2.097 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC000179445344 546955807 /nfs/dbraw/zinc/95/58/07/546955807.db2.gz FWMHXIXLPMYNTI-UHFFFAOYSA-N -1 1 365.368 2.257 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000179537066 546973213 /nfs/dbraw/zinc/97/32/13/546973213.db2.gz WKUOLXGMMGQMPG-ZJUUUORDSA-N -1 1 368.361 2.060 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000179537003 546973247 /nfs/dbraw/zinc/97/32/47/546973247.db2.gz FQDKENXRJCHQJU-ZDUSSCGKSA-N -1 1 360.435 2.488 20 0 FEADMM Cc1[nH]c2c(cccc2C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1C ZINC000179537540 546973332 /nfs/dbraw/zinc/97/33/32/546973332.db2.gz SWBYDGHYWVLGTO-UHFFFAOYSA-N -1 1 359.407 2.390 20 0 FEADMM C[C@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cccc(F)c1 ZINC000179537048 546973347 /nfs/dbraw/zinc/97/33/47/546973347.db2.gz APLYDDLKVPBBJO-SNVBAGLBSA-N -1 1 352.387 2.311 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cn1C ZINC000180285597 547078995 /nfs/dbraw/zinc/07/89/95/547078995.db2.gz HNVPQCBHJXYPNF-UHFFFAOYSA-N -1 1 364.210 2.314 20 0 FEADMM COC(=O)CCN1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC000180383193 547096555 /nfs/dbraw/zinc/09/65/55/547096555.db2.gz AQPFLQAMAWUNCT-AWEZNQCLSA-N -1 1 356.422 2.255 20 0 FEADMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cn1C ZINC000180613286 547142468 /nfs/dbraw/zinc/14/24/68/547142468.db2.gz KGSPKGMHNUORTO-UHFFFAOYSA-N -1 1 373.381 2.129 20 0 FEADMM O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000180986182 547224849 /nfs/dbraw/zinc/22/48/49/547224849.db2.gz LOKRJARJWLZPAO-JKSUJKDBSA-N -1 1 371.343 2.461 20 0 FEADMM Cc1ccc2[nH]c(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2c1C ZINC000181034769 547236406 /nfs/dbraw/zinc/23/64/06/547236406.db2.gz WWFPZNIEVZMCHM-UHFFFAOYSA-N -1 1 359.407 2.390 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCc3[nH]c4ccc(F)cc4c3C1)c2=O ZINC000181771082 547378294 /nfs/dbraw/zinc/37/82/94/547378294.db2.gz AIVUTCSHNFCDCP-UHFFFAOYSA-N -1 1 365.368 2.493 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1)c1ccc2ccccc2c1 ZINC000181817221 547386232 /nfs/dbraw/zinc/38/62/32/547386232.db2.gz NUYGWNWGDURCRX-KRWDZBQOSA-N -1 1 356.403 2.427 20 0 FEADMM CCc1nc(-c2ccccc2NC(=O)c2cnc3n(C)[n-]cc-3c2=O)n[nH]1 ZINC000182307127 547470647 /nfs/dbraw/zinc/47/06/47/547470647.db2.gz YEAAJNOVSNWAPJ-UHFFFAOYSA-N -1 1 363.381 2.274 20 0 FEADMM CCc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000182432210 547491510 /nfs/dbraw/zinc/49/15/10/547491510.db2.gz IGZUIIPXSIUGCW-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM O=S(=O)([N-]c1ccc2nncn2c1)c1ccc(OCC(F)F)cc1 ZINC000182548957 547512210 /nfs/dbraw/zinc/51/22/10/547512210.db2.gz GZYVLHBFDBFMBO-UHFFFAOYSA-N -1 1 354.338 2.174 20 0 FEADMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182676172 547531743 /nfs/dbraw/zinc/53/17/43/547531743.db2.gz NHXAYXJQJQBQFO-WBVHZDCISA-N -1 1 365.451 2.286 20 0 FEADMM Cn1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000183006580 547586406 /nfs/dbraw/zinc/58/64/06/547586406.db2.gz OFQVHTCQSKLNFO-UHFFFAOYSA-N -1 1 370.434 2.402 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F)c1nn[n-]n1 ZINC000183393896 547649753 /nfs/dbraw/zinc/64/97/53/547649753.db2.gz MIRHVRJNIKEIJZ-ZJUUUORDSA-N -1 1 357.336 2.248 20 0 FEADMM C[C@H](CN(C)C(=O)c1cc2cc(Br)ccc2[nH]1)c1nn[n-]n1 ZINC000183411505 547653161 /nfs/dbraw/zinc/65/31/61/547653161.db2.gz KOVVZMDREXPNMV-MRVPVSSYSA-N -1 1 363.219 2.319 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2cncn2)c1 ZINC000484646378 561302175 /nfs/dbraw/zinc/30/21/75/561302175.db2.gz UTIALNGNUZTJHL-UHFFFAOYSA-N -1 1 358.423 2.274 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccc(F)c(C)c1 ZINC000184253968 547794880 /nfs/dbraw/zinc/79/48/80/547794880.db2.gz RAZMMOSBTOEYIZ-HNNXBMFYSA-N -1 1 369.418 2.104 20 0 FEADMM CC(C)(C)c1csc(NC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)n1 ZINC000484991580 561310073 /nfs/dbraw/zinc/31/00/73/561310073.db2.gz XYUYJTSLXFKFRQ-UHFFFAOYSA-N -1 1 367.504 2.228 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc(C(=O)[O-])c1C ZINC000184914835 547898608 /nfs/dbraw/zinc/89/86/08/547898608.db2.gz WVWVPTLUIHFQOF-GXTWGEPZSA-N -1 1 368.499 2.400 20 0 FEADMM CC1CCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000184916505 547900125 /nfs/dbraw/zinc/90/01/25/547900125.db2.gz PPGQELAACFOYJM-UHFFFAOYSA-N -1 1 360.863 2.048 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)c1Cl ZINC000184994174 547914569 /nfs/dbraw/zinc/91/45/69/547914569.db2.gz AWDSEEROCMLOCD-SNVBAGLBSA-N -1 1 360.863 2.108 20 0 FEADMM COc1cc(NC(=O)C[C@@H](O)CC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000485657782 561325120 /nfs/dbraw/zinc/32/51/20/561325120.db2.gz BAMAHUPCIHEBNJ-GFCCVEGCSA-N -1 1 358.460 2.192 20 0 FEADMM O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1ccc([O-])cc1F ZINC000186563120 548152193 /nfs/dbraw/zinc/15/21/93/548152193.db2.gz GHOPPAGFRWOWPM-UHFFFAOYSA-N -1 1 362.332 2.395 20 0 FEADMM CCS(=O)(=O)c1c(Cl)cccc1/C=C/c1cc(=O)n2[n-]cnc2n1 ZINC000486121658 561338602 /nfs/dbraw/zinc/33/86/02/561338602.db2.gz JERNQKBEMDTXCL-VOTSOKGWSA-N -1 1 364.814 2.035 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)o1 ZINC000194056644 548429293 /nfs/dbraw/zinc/42/92/93/548429293.db2.gz RXKQNKGNZDJLTP-QWHCGFSZSA-N -1 1 353.371 2.430 20 0 FEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486564218 561350915 /nfs/dbraw/zinc/35/09/15/561350915.db2.gz UOHKTDLJMPSPQD-UHFFFAOYSA-N -1 1 367.333 2.429 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cn1C ZINC000486570370 561351164 /nfs/dbraw/zinc/35/11/64/561351164.db2.gz GRDYFRPDLPIPFI-UHFFFAOYSA-N -1 1 366.374 2.018 20 0 FEADMM CCOC(=O)N1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000194935265 548553014 /nfs/dbraw/zinc/55/30/14/548553014.db2.gz ORIDUXAZWXMPNY-UHFFFAOYSA-N -1 1 371.231 2.459 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)o1 ZINC000487139352 561364925 /nfs/dbraw/zinc/36/49/25/561364925.db2.gz VPYZPEUJPHRIAO-CQSZACIVSA-N -1 1 367.448 2.375 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)o1 ZINC000487160330 561365079 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O=C([N-]C[C@H]1CCCN(C(=O)c2ccnc3ccncc32)C1)C(F)(F)F ZINC000290881578 552555297 /nfs/dbraw/zinc/55/52/97/552555297.db2.gz BXQYTVGIKYTVDQ-LLVKDONJSA-N -1 1 366.343 2.161 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1 ZINC000291000541 552574462 /nfs/dbraw/zinc/57/44/62/552574462.db2.gz VBCLFAGRHTVMSQ-UHFFFAOYSA-N -1 1 360.435 2.195 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1)C(F)(F)F ZINC000291202367 552599791 /nfs/dbraw/zinc/59/97/91/552599791.db2.gz UTNVNDFUCALSHJ-LLVKDONJSA-N -1 1 366.343 2.161 20 0 FEADMM COCc1ccccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291234448 552604134 /nfs/dbraw/zinc/60/41/34/552604134.db2.gz XBXDVKZYUWAGMP-GFCCVEGCSA-N -1 1 358.360 2.364 20 0 FEADMM Cc1ccc(C(=O)C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cc1 ZINC000291748152 552657808 /nfs/dbraw/zinc/65/78/08/552657808.db2.gz JVMHMJLTZCCMQB-DGCLKSJQSA-N -1 1 356.344 2.236 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000291892310 552672226 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C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000503475289 561642335 /nfs/dbraw/zinc/64/23/35/561642335.db2.gz KZDVYPKBURSCOF-NVXWUHKLSA-N -1 1 374.510 2.333 20 0 FEADMM Cn1cc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)cc1C(=O)[O-] ZINC000299266690 553539598 /nfs/dbraw/zinc/53/95/98/553539598.db2.gz YDOGHVJXRBBZOL-UHFFFAOYSA-N -1 1 364.423 2.451 20 0 FEADMM CC(C)(C)Oc1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)n1 ZINC000504687490 561661412 /nfs/dbraw/zinc/66/14/12/561661412.db2.gz RNZUKMRMFAWLRD-UHFFFAOYSA-N -1 1 352.394 2.425 20 0 FEADMM Cc1nc(-c2ccc(N[C@@H](C)CCS(C)(=O)=O)nc2)[n-]c(=O)c1C ZINC000301649516 553668958 /nfs/dbraw/zinc/66/89/58/553668958.db2.gz FVCFJGGGJYRRBC-JTQLQIEISA-N -1 1 350.444 2.096 20 0 FEADMM CC[C@@H](O)[C@H](CC)NC(=O)c1ccc(I)c([O-])c1 ZINC000313111505 553756951 /nfs/dbraw/zinc/75/69/51/553756951.db2.gz MEFJGZFILAPZNB-WDEREUQCSA-N -1 1 363.195 2.276 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC)c1ccc(C)cc1 ZINC000324463260 553772475 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COCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000506610497 561703832 /nfs/dbraw/zinc/70/38/32/561703832.db2.gz IKZCHTYGQYQYHT-UHFFFAOYSA-N -1 1 358.803 2.110 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000506639665 561704590 /nfs/dbraw/zinc/70/45/90/561704590.db2.gz LXTBYIXYSRDRNN-HNNXBMFYSA-N -1 1 365.455 2.337 20 0 FEADMM Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)ccc1C(=O)[O-] ZINC000506644453 561704711 /nfs/dbraw/zinc/70/47/11/561704711.db2.gz CLDLLKXKOXELLC-UHFFFAOYSA-N -1 1 372.406 2.134 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2ccc(C)c(Br)c2)n1 ZINC000506909874 561711549 /nfs/dbraw/zinc/71/15/49/561711549.db2.gz FRNORRBIKSEWGI-UHFFFAOYSA-N -1 1 373.228 2.241 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc(S(C)(=O)=O)c1 ZINC000507606419 561734927 /nfs/dbraw/zinc/73/49/27/561734927.db2.gz ZVAACCKZFLGJLY-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CCOc1ccc(-c2cn(C3CN(C(=O)c4ncccc4[O-])C3)nn2)cc1 ZINC000507606973 561734966 /nfs/dbraw/zinc/73/49/66/561734966.db2.gz OZXZILIKQIDUPW-UHFFFAOYSA-N -1 1 365.393 2.142 20 0 FEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(OC)cc1O)c1ccccc1 ZINC000507888467 561744784 /nfs/dbraw/zinc/74/47/84/561744784.db2.gz BYUQULKPPULPAK-AWEZNQCLSA-N -1 1 365.407 2.099 20 0 FEADMM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000507936105 561746654 /nfs/dbraw/zinc/74/66/54/561746654.db2.gz LSBXZCDKGYZQSC-UHFFFAOYSA-N -1 1 354.453 2.068 20 0 FEADMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000507950231 561746955 /nfs/dbraw/zinc/74/69/55/561746955.db2.gz KZXIDHKHGVEORP-UHFFFAOYSA-N -1 1 364.423 2.342 20 0 FEADMM O=S(=O)([N-]C[C@@]1(O)CCSC1)c1c(Cl)cc(F)cc1Cl ZINC000331238522 554234573 /nfs/dbraw/zinc/23/45/73/554234573.db2.gz VUAXOMKYSSMKHR-NSHDSACASA-N -1 1 360.259 2.279 20 0 FEADMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000331251329 554236611 /nfs/dbraw/zinc/23/66/11/554236611.db2.gz SYVDXRKAILOYKO-VIFPVBQESA-N -1 1 371.261 2.132 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(F)c2)o1 ZINC000509162142 561787640 /nfs/dbraw/zinc/78/76/40/561787640.db2.gz BRHMIUBKMCFQLO-UHFFFAOYSA-N -1 1 354.403 2.426 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc(Cl)c1[O-] ZINC000331857210 554332084 /nfs/dbraw/zinc/33/20/84/554332084.db2.gz FIKGYIWDKSOLJM-MRVWCRGKSA-N -1 1 355.818 2.056 20 0 FEADMM CO[C@H](C)c1nsc(=NCCN2CCN(c3ccc(F)cc3)CC2)[n-]1 ZINC000509647684 561808834 /nfs/dbraw/zinc/80/88/34/561808834.db2.gz BQWFHQKATFCOFO-CYBMUJFWSA-N -1 1 365.478 2.041 20 0 FEADMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000509566444 561805568 /nfs/dbraw/zinc/80/55/68/561805568.db2.gz FNBFAEMWUIOBOL-UHFFFAOYSA-N -1 1 353.327 2.096 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)CCCO ZINC000509862712 561816470 /nfs/dbraw/zinc/81/64/70/561816470.db2.gz GFKPSVCPLQXVLS-QMMMGPOBSA-N -1 1 370.254 2.219 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](C)CCO ZINC000509932243 561818884 /nfs/dbraw/zinc/81/88/84/561818884.db2.gz SZGPUANMVNTFHB-MRVPVSSYSA-N -1 1 370.254 2.077 20 0 FEADMM CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000509968125 561820250 /nfs/dbraw/zinc/82/02/50/561820250.db2.gz CNFLZTQVOZAEMI-UHFFFAOYSA-N -1 1 353.831 2.281 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2c(c1)CCCC2 ZINC000509990389 561821057 /nfs/dbraw/zinc/82/10/57/561821057.db2.gz UDMUBLNFRPJZCL-CYBMUJFWSA-N -1 1 353.422 2.273 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)cc1 ZINC000510107026 561825155 /nfs/dbraw/zinc/82/51/55/561825155.db2.gz TZFKLIBFSRCAMN-UHFFFAOYSA-N -1 1 355.437 2.208 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000510583970 561839607 /nfs/dbraw/zinc/83/96/07/561839607.db2.gz KWMZRZQLNNPDBH-ZDUSSCGKSA-N -1 1 369.370 2.180 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(C(F)(F)F)ccc1F ZINC000510580371 561839672 /nfs/dbraw/zinc/83/96/72/561839672.db2.gz RPYSZIQAVNUXFT-UHFFFAOYSA-N -1 1 357.263 2.314 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c(=O)[n-]1 ZINC000333081531 554569097 /nfs/dbraw/zinc/56/90/97/554569097.db2.gz MFQLGXMCOSZJPX-OLZOCXBDSA-N -1 1 351.472 2.030 20 0 FEADMM O=C(N[C@@H]1CCCOC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000333082237 554569172 /nfs/dbraw/zinc/56/91/72/554569172.db2.gz QTGQWRWMIMZXMB-CRAIPNDOSA-N -1 1 368.433 2.445 20 0 FEADMM CC1(C)CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@@]2(CCOC2)O1 ZINC000333142883 554578752 /nfs/dbraw/zinc/57/87/52/554578752.db2.gz CPDWGUUJVFKBIL-HXUWFJFHSA-N -1 1 372.444 3.002 20 0 FEADMM Cc1c([C@@H]2[C@H](c3nc(-c4ccc([O-])c(F)c4)no3)CC(=O)N2C)cnn1C ZINC000350614915 554802753 /nfs/dbraw/zinc/80/27/53/554802753.db2.gz YTLUGADGBGMPMQ-BZNIZROVSA-N -1 1 371.372 2.310 20 0 FEADMM COc1cc(-c2noc(CN3CCOCC3)n2)cc(Br)c1[O-] ZINC000350763393 554811553 /nfs/dbraw/zinc/81/15/53/554811553.db2.gz VYWPBXMACIBAHW-UHFFFAOYSA-N -1 1 370.203 2.046 20 0 FEADMM COc1ccc(CNC(=O)Cc2noc(-c3ccc(OC)cc3[O-])n2)cc1 ZINC000350790505 554813879 /nfs/dbraw/zinc/81/38/79/554813879.db2.gz LCQNITYQHJCRRF-UHFFFAOYSA-N -1 1 369.377 2.318 20 0 FEADMM O=C1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CN1Cc1ccccn1 ZINC000350840309 554817107 /nfs/dbraw/zinc/81/71/07/554817107.db2.gz ULEPHACTMVGFDD-GFCCVEGCSA-N -1 1 354.341 2.492 20 0 FEADMM Cc1ocnc1-c1noc(Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000351020969 554830346 /nfs/dbraw/zinc/83/03/46/554830346.db2.gz ICRHGIVWVRTFQW-UHFFFAOYSA-N -1 1 350.338 2.490 20 0 FEADMM COCC1(c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CCCC1 ZINC000351165176 554840273 /nfs/dbraw/zinc/84/02/73/554840273.db2.gz REOXAUNLYJTFAM-UHFFFAOYSA-N -1 1 357.457 2.068 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCO[C@H]2CCC[C@H]21 ZINC000360128363 554863675 /nfs/dbraw/zinc/86/36/75/554863675.db2.gz GGFYCSTZMWXPGX-SJORKVTESA-N -1 1 368.437 2.265 20 0 FEADMM C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c[nH]cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000362483926 554975056 /nfs/dbraw/zinc/97/50/56/554975056.db2.gz IIFAMLYOSCDBJA-XHDPSFHLSA-N -1 1 372.853 2.174 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1-c1ccccc1C ZINC000362781664 554988159 /nfs/dbraw/zinc/98/81/59/554988159.db2.gz OMGCYKXMNXMATF-CQSZACIVSA-N -1 1 351.414 2.022 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(C)s2)co1 ZINC000363148983 555040900 /nfs/dbraw/zinc/04/09/00/555040900.db2.gz TWGAIFRZTGOBEK-GFCCVEGCSA-N -1 1 369.468 2.320 20 0 FEADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCCOC1 ZINC000511837218 561882073 /nfs/dbraw/zinc/88/20/73/561882073.db2.gz DNLSWBRHNGPEHY-UHFFFAOYSA-N -1 1 364.398 2.447 20 0 FEADMM Cc1ncc(CN2CC[C@@H](NC(=O)N=c3[n-]nc(C)s3)[C@H](C)C2)s1 ZINC000363248318 555062766 /nfs/dbraw/zinc/06/27/66/555062766.db2.gz DVPUMQBEEHVMBB-NOZJJQNGSA-N -1 1 366.516 2.644 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c1 ZINC000363502742 555122344 /nfs/dbraw/zinc/12/23/44/555122344.db2.gz RTQKAOAGPTUVET-UHFFFAOYSA-N -1 1 362.363 2.200 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@](C)(O)C(C)C ZINC000363573885 555140406 /nfs/dbraw/zinc/14/04/06/555140406.db2.gz XWPHPXRWQFEZIU-LJQANCHMSA-N -1 1 358.442 2.008 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1)c2=O ZINC000512001031 561888623 /nfs/dbraw/zinc/88/86/23/561888623.db2.gz IUHCRKNPBLTGLY-UHFFFAOYSA-N -1 1 374.441 2.304 20 0 FEADMM COc1ccc(COCCCNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000512024516 561889396 /nfs/dbraw/zinc/88/93/96/561889396.db2.gz FJCSFOAXTIWWIQ-UHFFFAOYSA-N -1 1 370.409 2.019 20 0 FEADMM COc1ccccc1C1(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000512031999 561889802 /nfs/dbraw/zinc/88/98/02/561889802.db2.gz CUQGQRSQJSPRBP-UHFFFAOYSA-N -1 1 352.394 2.144 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1cc[nH]n1)Cc1ccccc1)c2=O ZINC000512046366 561890138 /nfs/dbraw/zinc/89/01/38/561890138.db2.gz LYRIHXBYBXAJST-UHFFFAOYSA-N -1 1 362.393 2.240 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000531383984 562444195 /nfs/dbraw/zinc/44/41/95/562444195.db2.gz GLAMABSYBVQEIE-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000363848282 555198449 /nfs/dbraw/zinc/19/84/49/555198449.db2.gz RJXYINRPLJTPGO-SNVBAGLBSA-N -1 1 370.438 2.284 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NC[C@@H]1SCCc3ccccc31)c2=O ZINC000512168657 561894806 /nfs/dbraw/zinc/89/48/06/561894806.db2.gz COSGLZYJCLQVOL-HNNXBMFYSA-N -1 1 354.435 2.434 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000364120546 555253904 /nfs/dbraw/zinc/25/39/04/555253904.db2.gz LRSUDAKBKLRSKO-HNNXBMFYSA-N -1 1 366.483 2.460 20 0 FEADMM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000616173178 555278151 /nfs/dbraw/zinc/27/81/51/555278151.db2.gz JSEKFJLHFUPMIL-ZDUSSCGKSA-N -1 1 360.439 2.017 20 0 FEADMM Cc1ncc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000364341354 555294993 /nfs/dbraw/zinc/29/49/93/555294993.db2.gz SXHLIPDVHAXHGQ-UHFFFAOYSA-N -1 1 366.464 2.441 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000364450740 555316053 /nfs/dbraw/zinc/31/60/53/555316053.db2.gz YMTHZUZETSDNQR-MRXNPFEDSA-N -1 1 372.469 2.402 20 0 FEADMM CCCCc1cc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n[nH]1 ZINC000616801612 555339862 /nfs/dbraw/zinc/33/98/62/555339862.db2.gz XKQGZXDIYGCLHK-UHFFFAOYSA-N -1 1 366.425 2.387 20 0 FEADMM CC(=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccccc1C(F)(F)F ZINC000364696803 555377629 /nfs/dbraw/zinc/37/76/29/555377629.db2.gz MQKIBFWBVNVJEE-AORWBKJGSA-N -1 1 367.331 2.222 20 0 FEADMM NC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4ncccc4c3)ccc21 ZINC000512732976 561913817 /nfs/dbraw/zinc/91/38/17/561913817.db2.gz IUVVHHLBDWPVEF-UHFFFAOYSA-N -1 1 368.418 2.477 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@]2(CCOC2)C1)c1c(Cl)ccnc1Cl ZINC000364893579 555428307 /nfs/dbraw/zinc/42/83/07/555428307.db2.gz ZIQHQTOJOBHUKH-NOZJJQNGSA-N -1 1 367.254 2.005 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)C3)ccc1F ZINC000365034275 555470216 /nfs/dbraw/zinc/47/02/16/555470216.db2.gz RQSMRBWDAVGSFF-UHFFFAOYSA-N -1 1 364.398 2.497 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000365223051 555514924 /nfs/dbraw/zinc/51/49/24/555514924.db2.gz SYXGKFDEVNIZAU-JSGCOSHPSA-N -1 1 363.462 2.449 20 0 FEADMM COc1ccc(N2C[C@H](NC(=O)c3csc(=NC4CC4)[n-]3)CC2=O)cc1 ZINC000617842517 555521252 /nfs/dbraw/zinc/52/12/52/555521252.db2.gz PDYLBGGEOHZFAB-GFCCVEGCSA-N -1 1 372.450 2.261 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000513323679 561933598 /nfs/dbraw/zinc/93/35/98/561933598.db2.gz OSKCNBFZNXCDLH-UHFFFAOYSA-N -1 1 360.395 2.290 20 0 FEADMM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000365795580 555669485 /nfs/dbraw/zinc/66/94/85/555669485.db2.gz NQGAOGVHPWAWRG-ZDUSSCGKSA-N -1 1 366.396 2.319 20 0 FEADMM CC(C)(C)C[C@H](O)CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000365888269 555693173 /nfs/dbraw/zinc/69/31/73/555693173.db2.gz ATWRPUYNONOMOC-QMTHXVAHSA-N -1 1 369.828 2.385 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)CC1 ZINC000365984085 555717369 /nfs/dbraw/zinc/71/73/69/555717369.db2.gz PEUUVOSSDGAIKE-GOSISDBHSA-N -1 1 370.449 2.215 20 0 FEADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H]3CCc4[nH]cnc4C3)n2)c1 ZINC000366303126 555806424 /nfs/dbraw/zinc/80/64/24/555806424.db2.gz ICGLFBSPRLLVQG-NSHDSACASA-N -1 1 355.373 2.036 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)c1 ZINC000513846896 561952283 /nfs/dbraw/zinc/95/22/83/561952283.db2.gz YVUBGHIQLNDIEO-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC[C@@H]3CC[C@H](C)C3)CC2)n1 ZINC000366375021 555826442 /nfs/dbraw/zinc/82/64/42/555826442.db2.gz FFKIOQCYZFKSJZ-QWHCGFSZSA-N -1 1 363.462 2.307 20 0 FEADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCCC2(CCC2)C1 ZINC000366385697 555829326 /nfs/dbraw/zinc/82/93/26/555829326.db2.gz JCBFBDBWRHFHEL-UHFFFAOYSA-N -1 1 374.485 2.053 20 0 FEADMM Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000620354542 555922340 /nfs/dbraw/zinc/92/23/40/555922340.db2.gz PUCAMHDFWJAUOY-HNNXBMFYSA-N -1 1 356.451 2.339 20 0 FEADMM CN(C)c1ccnc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000366764835 555928021 /nfs/dbraw/zinc/92/80/21/555928021.db2.gz TYTSGABDEHHZMK-UHFFFAOYSA-N -1 1 369.425 2.375 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](C3CCOCC3)C2)c(=O)[n-]1 ZINC000366792722 555935175 /nfs/dbraw/zinc/93/51/75/555935175.db2.gz AFKKLXIAKGAKFI-CQSZACIVSA-N -1 1 365.499 2.420 20 0 FEADMM Cc1noc(C2CC2)c1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000367387754 556035666 /nfs/dbraw/zinc/03/56/66/556035666.db2.gz IAZHZOZVVRSNGP-UHFFFAOYSA-N -1 1 370.340 2.300 20 0 FEADMM C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H](c2[nH]ncc2NS(C)(=O)=O)C1 ZINC000367668144 556109205 /nfs/dbraw/zinc/10/92/05/556109205.db2.gz AIBTUINMZWUDBN-MGPQQGTHSA-N -1 1 366.487 2.090 20 0 FEADMM Cn1cc([C@H]2[C@H](CN=c3nc(C(F)(F)F)[n-]s3)CCCN2C)cn1 ZINC000367729637 556124572 /nfs/dbraw/zinc/12/45/72/556124572.db2.gz QESNVXFKGNSMOP-GXSJLCMTSA-N -1 1 360.409 2.207 20 0 FEADMM COCCOCCS(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1C ZINC000514884929 561985104 /nfs/dbraw/zinc/98/51/04/561985104.db2.gz TTXIYTKJPDAEFQ-UHFFFAOYSA-N -1 1 373.862 2.239 20 0 FEADMM CCC[C@H](CC)S(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000367911326 556170919 /nfs/dbraw/zinc/17/09/19/556170919.db2.gz NKPKTEFCXJAKNC-UONOGXRCSA-N -1 1 353.444 2.268 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CCO[C@@H]3C[C@@H]32)nc1 ZINC000368040528 556201844 /nfs/dbraw/zinc/20/18/44/556201844.db2.gz IUMSVHLHXQHRKF-LSDHHAIUSA-N -1 1 367.377 2.138 20 0 FEADMM O=C([O-])[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@@H]1c1ccc(F)cc1F ZINC000368321287 556277759 /nfs/dbraw/zinc/27/77/59/556277759.db2.gz JWEIRKKXVLBTTQ-OLZOCXBDSA-N -1 1 372.331 2.177 20 0 FEADMM Cc1oc(CN(C)C[C@@H](O)COCc2ccccc2F)cc1C(=O)[O-] ZINC000515306155 562004373 /nfs/dbraw/zinc/00/43/73/562004373.db2.gz WTQVXYVRUIXORJ-CQSZACIVSA-N -1 1 351.374 2.435 20 0 FEADMM O=C(C=Cc1cccnc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368502310 556328179 /nfs/dbraw/zinc/32/81/79/556328179.db2.gz LZDFNEGSRJXAPF-YFCVBGDOSA-N -1 1 358.764 2.306 20 0 FEADMM CCOc1ccccc1C(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000368507305 556331004 /nfs/dbraw/zinc/33/10/04/556331004.db2.gz HBGBHGJTOLKKAS-UHFFFAOYSA-N -1 1 369.421 2.221 20 0 FEADMM C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)C[C@H](C)O1 ZINC000368542182 556339478 /nfs/dbraw/zinc/33/94/78/556339478.db2.gz DZIVKRRDGUWDKB-BETUJISGSA-N -1 1 364.417 2.019 20 0 FEADMM C[C@H]1CCn2ncc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)c2C1 ZINC000515385847 562008475 /nfs/dbraw/zinc/00/84/75/562008475.db2.gz DMJCIGFDTWNTSS-JTQLQIEISA-N -1 1 366.418 2.228 20 0 FEADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369092805 556503286 /nfs/dbraw/zinc/50/32/86/556503286.db2.gz QXNJAYGVQZDBSE-IQMYEBEASA-N -1 1 365.796 2.203 20 0 FEADMM CCc1nnc([C@@H]2CN(C(=O)c3c([O-])cnc4ccccc43)CCO2)o1 ZINC000369608493 556646199 /nfs/dbraw/zinc/64/61/99/556646199.db2.gz GASMSOYLXNGUJH-AWEZNQCLSA-N -1 1 354.366 2.100 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CSCCC(C)C)CC2)n1 ZINC000369728860 556679096 /nfs/dbraw/zinc/67/90/96/556679096.db2.gz DVJQQZNOOQQQKM-UHFFFAOYSA-N -1 1 368.503 2.467 20 0 FEADMM CCC[C@@H](NC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1)c1nn[n-]n1 ZINC000369835781 556708275 /nfs/dbraw/zinc/70/82/75/556708275.db2.gz PKBHLMCMRUFJMP-GOEBONIOSA-N -1 1 365.441 2.283 20 0 FEADMM CCCC(=O)N1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000370018484 556758865 /nfs/dbraw/zinc/75/88/65/556758865.db2.gz MXONTHQHSBBHQX-UHFFFAOYSA-N -1 1 362.474 2.263 20 0 FEADMM COc1cccc2c1OCC[C@H]2NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000370020245 556759590 /nfs/dbraw/zinc/75/95/90/556759590.db2.gz QPYIKVPLJIDCML-LLVKDONJSA-N -1 1 361.423 2.475 20 0 FEADMM CCCc1nc(=NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)s[n-]1 ZINC000516514999 562045702 /nfs/dbraw/zinc/04/57/02/562045702.db2.gz HALWNFPJFUFMDF-ZDUSSCGKSA-N -1 1 351.451 2.476 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000370719466 556948610 /nfs/dbraw/zinc/94/86/10/556948610.db2.gz ATJSLGOCTACQHQ-LBPRGKRZSA-N -1 1 364.405 2.266 20 0 FEADMM O=C(c1occc1CSc1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370853371 556991050 /nfs/dbraw/zinc/99/10/50/556991050.db2.gz SENJBXWSAINAJT-CQSZACIVSA-N -1 1 371.422 2.299 20 0 FEADMM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370857584 556992562 /nfs/dbraw/zinc/99/25/62/556992562.db2.gz OTADSYGUWJSGCI-HUUCEWRRSA-N -1 1 361.471 2.058 20 0 FEADMM CCN1C(=O)N=NC1C1CCN(C(=O)c2c([O-])cnc3ccccc32)CC1 ZINC000371307513 557140216 /nfs/dbraw/zinc/14/02/16/557140216.db2.gz FWTCROGASZDBRN-UHFFFAOYSA-N -1 1 367.409 2.277 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC23CCC(CO)CC3)c(=O)[n-]1 ZINC000371476610 557193295 /nfs/dbraw/zinc/19/32/95/557193295.db2.gz DBPWPVPNZQQZBF-UHFFFAOYSA-N -1 1 365.499 2.299 20 0 FEADMM COc1cc(NC(=O)C[C@@H](C)n2cccc2)ccc1[N-]S(C)(=O)=O ZINC000517882719 562099718 /nfs/dbraw/zinc/09/97/18/562099718.db2.gz SGBZGXQIPABDRB-GFCCVEGCSA-N -1 1 351.428 2.458 20 0 FEADMM Cc1cc(NC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)n(-c2ccccc2F)n1 ZINC000518769236 562118067 /nfs/dbraw/zinc/11/80/67/562118067.db2.gz IIVFONBOPPVAQJ-JSGCOSHPSA-N -1 1 374.416 2.301 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCOC[C@H](C)C2)c([O-])c1 ZINC000372218159 557412688 /nfs/dbraw/zinc/41/26/88/557412688.db2.gz SBSFERSSOMVJDN-LLVKDONJSA-N -1 1 359.382 2.049 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000372228968 557415946 /nfs/dbraw/zinc/41/59/46/557415946.db2.gz RUGLHGNKDCGREB-AMIZOPFISA-N -1 1 355.343 2.006 20 0 FEADMM CCc1nc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)[n-]c(=O)c1C ZINC000519720063 562141430 /nfs/dbraw/zinc/14/14/30/562141430.db2.gz XSYNTUKWXGAUJC-JTQLQIEISA-N -1 1 360.439 2.271 20 0 FEADMM Cc1c([C@@H]2[C@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC(=O)N2C)cnn1C ZINC000373065274 557620383 /nfs/dbraw/zinc/62/03/83/557620383.db2.gz FRSPMAWAJXPHIF-BZNIZROVSA-N -1 1 362.817 2.246 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000520291072 562152705 /nfs/dbraw/zinc/15/27/05/562152705.db2.gz OFGHXBYNQYFKIZ-OAHLLOKOSA-N -1 1 357.382 2.272 20 0 FEADMM CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000520353807 562154154 /nfs/dbraw/zinc/15/41/54/562154154.db2.gz JEOYYQPYTYKOAK-UHFFFAOYSA-N -1 1 365.411 2.038 20 0 FEADMM CCOc1ccc(C(=O)N2CCC(NC(=O)c3cncc([O-])c3)CC2)cc1 ZINC000520396235 562155350 /nfs/dbraw/zinc/15/53/50/562155350.db2.gz FDRQJXZWVKQNQN-UHFFFAOYSA-N -1 1 369.421 2.221 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCCN(CC(F)(F)F)CC3)c[n-]c2[nH+]1 ZINC000374022110 557809390 /nfs/dbraw/zinc/80/93/90/557809390.db2.gz MEGJQTASKASTGG-UHFFFAOYSA-N -1 1 368.359 2.354 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCCN(CC(F)(F)F)CC3)cnc2n1 ZINC000374022110 557809391 /nfs/dbraw/zinc/80/93/91/557809391.db2.gz MEGJQTASKASTGG-UHFFFAOYSA-N -1 1 368.359 2.354 20 0 FEADMM COc1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ncn1 ZINC000374666798 557914282 /nfs/dbraw/zinc/91/42/82/557914282.db2.gz XKQMSNRFNKVHOV-UHFFFAOYSA-N -1 1 356.382 2.318 20 0 FEADMM O=C(Nc1ccc(F)c(F)c1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000375007278 557963024 /nfs/dbraw/zinc/96/30/24/557963024.db2.gz AGYCBWRVXHLYCP-UHFFFAOYSA-N -1 1 361.279 2.404 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC(=O)c2cc(Cl)ccc2O1 ZINC000375355929 558014576 /nfs/dbraw/zinc/01/45/76/558014576.db2.gz LSJHXHLPXBTXIY-SECBINFHSA-N -1 1 360.679 2.449 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375578147 558051599 /nfs/dbraw/zinc/05/15/99/558051599.db2.gz NZGLIQVJWGKRJD-CZUORRHYSA-N -1 1 366.483 2.223 20 0 FEADMM CO[C@@H](C)c1nc(=NC[C@H]2CN(Cc3ccccc3)CCCO2)s[n-]1 ZINC000375963908 558106017 /nfs/dbraw/zinc/10/60/17/558106017.db2.gz VDFRCUOXFZMMPF-HOCLYGCPSA-N -1 1 362.499 2.370 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376221326 558143748 /nfs/dbraw/zinc/14/37/48/558143748.db2.gz UGXBHJJVWYETBU-OCCSQVGLSA-N -1 1 356.216 2.175 20 0 FEADMM Cc1ccc2c([n-]cc(C(=O)N3C[C@@H](C)O[C@]4(CCCOC4)C3)c2=O)[nH+]1 ZINC000376444796 558174102 /nfs/dbraw/zinc/17/41/02/558174102.db2.gz WTYFSONVRFODRQ-BFUOFWGJSA-N -1 1 357.410 2.054 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H](C)O[C@]4(CCCOC4)C3)cnc2n1 ZINC000376444796 558174103 /nfs/dbraw/zinc/17/41/03/558174103.db2.gz WTYFSONVRFODRQ-BFUOFWGJSA-N -1 1 357.410 2.054 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC[C@H](Oc4ccc(F)cc4)C3)ccnc1-2 ZINC000376605781 558196726 /nfs/dbraw/zinc/19/67/26/558196726.db2.gz HRKALHJAVBHEGY-DJFNHCPNSA-N -1 1 355.373 2.166 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)ccnc1-2 ZINC000376646922 558202770 /nfs/dbraw/zinc/20/27/70/558202770.db2.gz RIVDBJVWGQXIOC-VBHMAFOESA-N -1 1 373.363 2.225 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCCC(C)C)CC2)n1 ZINC000377059733 558257341 /nfs/dbraw/zinc/25/73/41/558257341.db2.gz AZIWAAPXDNGSTH-UHFFFAOYSA-N -1 1 351.451 2.307 20 0 FEADMM C[C@H]1CCN(C(=O)C2C[C@H]3CC[C@@H](C2)C3=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377094130 558264690 /nfs/dbraw/zinc/26/46/90/558264690.db2.gz UHCGMLDSMKXZLI-RUQOMDSDSA-N -1 1 374.403 2.296 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cnc3c(n2)CCCC3)c(=O)[n-]1 ZINC000377468860 558345818 /nfs/dbraw/zinc/34/58/18/558345818.db2.gz AAWAVSXOLGTISA-UHFFFAOYSA-N -1 1 359.455 2.453 20 0 FEADMM COc1ccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2c(C)o[n-]c2=N)cc1 ZINC000377839019 558432416 /nfs/dbraw/zinc/43/24/16/558432416.db2.gz FKOLKXOSBSILFY-YGRLFVJLSA-N -1 1 351.428 2.346 20 0 FEADMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2)n1 ZINC000378479688 558566578 /nfs/dbraw/zinc/56/65/78/558566578.db2.gz CQMBKPZKLBBJFA-INIZCTEOSA-N -1 1 373.390 2.175 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)c1 ZINC000523727219 562218623 /nfs/dbraw/zinc/21/86/23/562218623.db2.gz IMTUODPJJJBXNB-UHFFFAOYSA-N -1 1 374.418 2.183 20 0 FEADMM Cn1cc([C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2)cn1 ZINC000378641821 558599733 /nfs/dbraw/zinc/59/97/33/558599733.db2.gz YXOBUXQWPQYOID-QGZVFWFLSA-N -1 1 359.389 2.176 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000392603157 558618202 /nfs/dbraw/zinc/61/82/02/558618202.db2.gz RBUZCNPITQSLJI-UHFFFAOYSA-N -1 1 365.407 2.220 20 0 FEADMM C[C@@H]1CN(C(=O)CSCC(=O)[O-])[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404379260 558631249 /nfs/dbraw/zinc/63/12/49/558631249.db2.gz KRPDCCGWMPMNJG-RBSFLKMASA-N -1 1 350.484 2.314 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000410283452 558749659 /nfs/dbraw/zinc/74/96/59/558749659.db2.gz GJFLCZQMYCLTPH-LBPRGKRZSA-N -1 1 358.442 2.781 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1OC ZINC000410351030 558752768 /nfs/dbraw/zinc/75/27/68/558752768.db2.gz CMJYUYRMFSOZBO-UHFFFAOYSA-N -1 1 351.380 2.291 20 0 FEADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000412254048 559022759 /nfs/dbraw/zinc/02/27/59/559022759.db2.gz IZPWIUWABRDRGO-SECBINFHSA-N -1 1 360.805 2.382 20 0 FEADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000412254048 559022760 /nfs/dbraw/zinc/02/27/60/559022760.db2.gz IZPWIUWABRDRGO-SECBINFHSA-N -1 1 360.805 2.382 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(c3ccc(Cl)cc3)C2)co1 ZINC000412398038 559033144 /nfs/dbraw/zinc/03/31/44/559033144.db2.gz KMYKNROJGLESQG-UHFFFAOYSA-N -1 1 354.815 2.081 20 0 FEADMM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1csc(=NC2CC2)[n-]1)C1CC1 ZINC000412510496 559040394 /nfs/dbraw/zinc/04/03/94/559040394.db2.gz QMCCJLJZHYLQCJ-SNVBAGLBSA-N -1 1 351.472 3.052 20 0 FEADMM CC(C)(CCNC(=O)c1ccc(C(F)(F)F)cc1[O-])S(C)(=O)=O ZINC000412637168 559047758 /nfs/dbraw/zinc/04/77/58/559047758.db2.gz IGAIKIQFYOURHB-UHFFFAOYSA-N -1 1 353.362 2.354 20 0 FEADMM CCS(=O)(=O)CCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000412876073 559060808 /nfs/dbraw/zinc/06/08/08/559060808.db2.gz ZXAXBVKDVRYEFZ-UHFFFAOYSA-N -1 1 356.831 2.148 20 0 FEADMM CCNC(=O)c1ccc(=NCCCC(=O)Nc2ccc(Cl)cc2)[n-]n1 ZINC000413063757 559074309 /nfs/dbraw/zinc/07/43/09/559074309.db2.gz DSIKPZYVJMSBEE-UHFFFAOYSA-N -1 1 361.833 2.711 20 0 FEADMM CCC(CC)c1nnc([N-]C(=O)c2ncccc2S(C)(=O)=O)s1 ZINC000413215040 559088954 /nfs/dbraw/zinc/08/89/54/559088954.db2.gz 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371.418 2.185 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CNC(=O)Nc2cccc(C)c2)c1 ZINC000436508504 559943774 /nfs/dbraw/zinc/94/37/74/559943774.db2.gz PIVRRPALGVVGFZ-UHFFFAOYSA-N -1 1 357.366 2.247 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2nc(-c3cnn(C)c3)oc2C)c1 ZINC000436513968 559943924 /nfs/dbraw/zinc/94/39/24/559943924.db2.gz OEFBDMRSNGEWBZ-UHFFFAOYSA-N -1 1 356.338 2.128 20 0 FEADMM CC(C)(C)c1cc(C(=O)N=c2ccn(CC(N)=O)[nH]2)c([O-])c(C(C)(C)C)c1 ZINC000436547923 559945152 /nfs/dbraw/zinc/94/51/52/559945152.db2.gz KROBAIVWNPRTSN-UHFFFAOYSA-N -1 1 372.469 2.921 20 0 FEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000436566265 559945565 /nfs/dbraw/zinc/94/55/65/559945565.db2.gz KYJAOJKOIQYITE-LLVKDONJSA-N -1 1 358.360 2.354 20 0 FEADMM CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1[O-] ZINC000436585783 559945942 /nfs/dbraw/zinc/94/59/42/559945942.db2.gz QRGWAOITVPPHJA-UHFFFAOYSA-N -1 1 363.439 2.327 20 0 FEADMM COc1ccc(CNC(=O)c2cc(Br)ccc2[O-])c(OC)n1 ZINC000436613010 559946683 /nfs/dbraw/zinc/94/66/83/559946683.db2.gz OIJOTXDJLSZDOE-UHFFFAOYSA-N -1 1 367.199 2.497 20 0 FEADMM CC[C@@H](C)c1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])on1 ZINC000436615413 559946714 /nfs/dbraw/zinc/94/67/14/559946714.db2.gz DPUDSKFKSJOZBC-SECBINFHSA-N -1 1 353.400 2.054 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)c1 ZINC000436670510 559948472 /nfs/dbraw/zinc/94/84/72/559948472.db2.gz FEWDBOCBEWPNTH-JTQLQIEISA-N -1 1 374.418 2.397 20 0 FEADMM COCCO[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436674659 559948571 /nfs/dbraw/zinc/94/85/71/559948571.db2.gz WEIZISBJZCHLIN-GFCCVEGCSA-N -1 1 358.232 2.422 20 0 FEADMM O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436703105 559949351 /nfs/dbraw/zinc/94/93/51/559949351.db2.gz CKUCBBFMHMBQJY-CQSZACIVSA-N -1 1 373.453 2.452 20 0 FEADMM C[C@@]1(c2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2)NC(=O)NC1=O ZINC000436701605 559949490 /nfs/dbraw/zinc/94/94/90/559949490.db2.gz ZJBMQBGBWFZHID-SFHVURJKSA-N -1 1 373.796 2.030 20 0 FEADMM CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(Br)ccc1[O-] ZINC000436706865 559949577 /nfs/dbraw/zinc/94/95/77/559949577.db2.gz QAQKMNPNDLYCRY-SNVBAGLBSA-N -1 1 357.248 2.437 20 0 FEADMM Cn1cnnc1Sc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436762526 559951232 /nfs/dbraw/zinc/95/12/32/559951232.db2.gz CEGUZXZRKYSPOQ-UHFFFAOYSA-N -1 1 354.391 2.493 20 0 FEADMM Cn1ccnc1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(F)c1 ZINC000436767232 559951390 /nfs/dbraw/zinc/95/13/90/559951390.db2.gz UFGKRZRTGCBLBI-MRXNPFEDSA-N -1 1 353.353 2.353 20 0 FEADMM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436790465 559952194 /nfs/dbraw/zinc/95/21/94/559952194.db2.gz ONTIJLGLXGATCP-UHFFFAOYSA-N -1 1 371.393 2.313 20 0 FEADMM CN(C)S(=O)(=O)c1cc(NC(=O)c2cc(F)ccc2[O-])ccc1F ZINC000436828162 559953478 /nfs/dbraw/zinc/95/34/78/559953478.db2.gz XDHWHYZPFWDBKW-UHFFFAOYSA-N -1 1 356.350 2.173 20 0 FEADMM CCc1nc([C@@H](C)NC(=O)c2cc(F)cc(Br)c2[O-])n[nH]1 ZINC000436846264 559954092 /nfs/dbraw/zinc/95/40/92/559954092.db2.gz BPKCLURPPNNGQD-ZCFIWIBFSA-N -1 1 357.183 2.465 20 0 FEADMM O=C(NCc1cccnc1OCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000436858685 559954499 /nfs/dbraw/zinc/95/44/99/559954499.db2.gz GSFBAUOTUUHZPX-UHFFFAOYSA-N -1 1 354.284 2.227 20 0 FEADMM COc1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)c([O-])c1 ZINC000436903467 559956081 /nfs/dbraw/zinc/95/60/81/559956081.db2.gz HUGSRLMOTSKVNM-UHFFFAOYSA-N -1 1 354.366 2.349 20 0 FEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000436977322 559957994 /nfs/dbraw/zinc/95/79/94/559957994.db2.gz FJFBCELRAITTKU-LLVKDONJSA-N -1 1 366.414 2.273 20 0 FEADMM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1N1C(=O)CCC1=O ZINC000436981767 559958427 /nfs/dbraw/zinc/95/84/27/559958427.db2.gz DITWJKMRAPQAIR-UHFFFAOYSA-N -1 1 352.346 2.175 20 0 FEADMM COCCN(CCOc1ccc(F)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436993599 559958948 /nfs/dbraw/zinc/95/89/48/559958948.db2.gz DUKQLHTUOQIOSA-UHFFFAOYSA-N -1 1 361.369 2.268 20 0 FEADMM CN1C(=O)C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000436994043 559958976 /nfs/dbraw/zinc/95/89/76/559958976.db2.gz KJXWWROWHYHPOQ-NVXWUHKLSA-N -1 1 372.808 2.317 20 0 FEADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000436999388 559959294 /nfs/dbraw/zinc/95/92/94/559959294.db2.gz LFVKXXBLRJDMAJ-INIZCTEOSA-N -1 1 372.808 2.492 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)OC ZINC000438720493 559982833 /nfs/dbraw/zinc/98/28/33/559982833.db2.gz XWXNZZSHMZPZHO-UHFFFAOYSA-N -1 1 367.354 2.200 20 0 FEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000439243482 559990779 /nfs/dbraw/zinc/99/07/79/559990779.db2.gz CMUAOHPYOBYNAK-ZCFIWIBFSA-N -1 1 364.196 2.319 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCO1 ZINC000439419548 559993512 /nfs/dbraw/zinc/99/35/12/559993512.db2.gz FOIZNVAEGVOIJM-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(I)c([O-])c1 ZINC000440040588 560003521 /nfs/dbraw/zinc/00/35/21/560003521.db2.gz XIZYYYMNZUSUFY-NDMJEZRESA-N -1 1 373.190 2.294 20 0 FEADMM COc1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc(Cl)c1[O-] ZINC000443074360 560069505 /nfs/dbraw/zinc/06/95/05/560069505.db2.gz QQVZQTZJONVJRD-MRVWCRGKSA-N -1 1 355.818 2.463 20 0 FEADMM Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1ccc([O-])cc1F ZINC000443175305 560073724 /nfs/dbraw/zinc/07/37/24/560073724.db2.gz RTBLGRSHDIHQIO-UHFFFAOYSA-N -1 1 373.384 2.496 20 0 FEADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CC2CCCCC2)(C(=O)OC)C1(C)C ZINC000444277107 560107770 /nfs/dbraw/zinc/10/77/70/560107770.db2.gz PJZMJJPMVJZQQX-PBHICJAKSA-N -1 1 361.504 2.233 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)n1cncn1 ZINC000444340923 560110088 /nfs/dbraw/zinc/11/00/88/560110088.db2.gz LVYGDFZCGBYCHS-LBPRGKRZSA-N -1 1 357.414 2.246 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000444647750 560117470 /nfs/dbraw/zinc/11/74/70/560117470.db2.gz FMWWLUWEGREZOU-NSHDSACASA-N -1 1 361.847 2.094 20 0 FEADMM COc1ccc(CNC(=O)Cc2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000445410441 560132160 /nfs/dbraw/zinc/13/21/60/560132160.db2.gz DUKPKICGEOCAPZ-UHFFFAOYSA-N -1 1 357.341 2.449 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(OC)cc2)c1 ZINC000445743355 560134593 /nfs/dbraw/zinc/13/45/93/560134593.db2.gz XCIDFVMVTZWJKM-UHFFFAOYSA-N -1 1 367.423 2.374 20 0 FEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)[nH]n2)o1 ZINC000446619008 560148626 /nfs/dbraw/zinc/14/86/26/560148626.db2.gz ZCDDTMDMOXVJCB-UHFFFAOYSA-N -1 1 374.378 2.224 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)c1 ZINC000447263198 560159112 /nfs/dbraw/zinc/15/91/12/560159112.db2.gz HWUWRSCQCPOYFG-UHFFFAOYSA-N -1 1 358.419 2.486 20 0 FEADMM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000447275975 560159331 /nfs/dbraw/zinc/15/93/31/560159331.db2.gz ZBYBYJJIMPSKAQ-UHFFFAOYSA-N -1 1 350.379 2.189 20 0 FEADMM COCCCCCS(=O)(=O)c1nnc(-c2ccc(OC)cc2OC)[n-]1 ZINC000447487738 560163040 /nfs/dbraw/zinc/16/30/40/560163040.db2.gz ITCJAWKTKASGEW-UHFFFAOYSA-N -1 1 369.443 2.079 20 0 FEADMM COCCCCCS(=O)(=O)c1n[n-]c(-c2ccc(OC)cc2OC)n1 ZINC000447487738 560163041 /nfs/dbraw/zinc/16/30/41/560163041.db2.gz ITCJAWKTKASGEW-UHFFFAOYSA-N -1 1 369.443 2.079 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3(CCOC)CC3)c2)n1 ZINC000447682628 560166896 /nfs/dbraw/zinc/16/68/96/560166896.db2.gz IGUILKXUZOCUBB-UHFFFAOYSA-N -1 1 372.425 2.081 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@H]1CCCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000447929863 560173620 /nfs/dbraw/zinc/17/36/20/560173620.db2.gz JUVSTAQAVLQUBB-WDEREUQCSA-N -1 1 374.673 2.465 20 0 FEADMM Cc1ccc(S(=O)(=O)NC[C@@H]2N(C)CCCC2(C)C)c(C)c1C(=O)[O-] ZINC000448182829 560179893 /nfs/dbraw/zinc/17/98/93/560179893.db2.gz TWSITGZLXJAPDW-HNNXBMFYSA-N -1 1 368.499 2.400 20 0 FEADMM O=C(CC1(O)CCC1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448871057 560204170 /nfs/dbraw/zinc/20/41/70/560204170.db2.gz RWZCEMNAGWMSIM-UHFFFAOYSA-N -1 1 374.462 2.409 20 0 FEADMM COc1cc2ccccc2cc1CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000449052238 560214386 /nfs/dbraw/zinc/21/43/86/560214386.db2.gz YSSKKYLWINOYEK-UHFFFAOYSA-N -1 1 355.467 2.604 20 0 FEADMM CC(C)(C)CC[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000449135731 560217396 /nfs/dbraw/zinc/21/73/96/560217396.db2.gz REKIGHOPEANKHB-AWEZNQCLSA-N -1 1 374.441 2.079 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000449893127 560244481 /nfs/dbraw/zinc/24/44/81/560244481.db2.gz UVSWXXQBCKLJIM-UHFFFAOYSA-N -1 1 353.304 2.329 20 0 FEADMM CCOC(=O)c1csc(=NC[C@@H](C)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000450258272 560256022 /nfs/dbraw/zinc/25/60/22/560256022.db2.gz PLUMTTWIURVCRD-OAHLLOKOSA-N -1 1 374.510 2.942 20 0 FEADMM COc1ccccc1Oc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nc1 ZINC000450839941 560275350 /nfs/dbraw/zinc/27/53/50/560275350.db2.gz HVAFNCALRXFZRU-LBPRGKRZSA-N -1 1 368.397 2.271 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c(C)c1C ZINC000451111580 560287772 /nfs/dbraw/zinc/28/77/72/560287772.db2.gz FDTNHOXHAVJCMP-UHFFFAOYSA-N -1 1 366.443 2.058 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)NC1CCCCC1 ZINC000451135987 560289206 /nfs/dbraw/zinc/28/92/06/560289206.db2.gz DNCRONUINBEPIF-UHFFFAOYSA-N -1 1 354.403 2.299 20 0 FEADMM COCC1(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccc3ccccc3c2)CC1 ZINC000451389223 560303910 /nfs/dbraw/zinc/30/39/10/560303910.db2.gz QTDUTBYZBZXNON-INIZCTEOSA-N -1 1 363.435 2.152 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)o1 ZINC000451608862 560317301 /nfs/dbraw/zinc/31/73/01/560317301.db2.gz CDZNADCBLLRKCM-JTQLQIEISA-N -1 1 353.421 2.234 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3cccs3)C2)o1 ZINC000451964379 560340915 /nfs/dbraw/zinc/34/09/15/560340915.db2.gz KFFYYTOBELWMEA-JQWIXIFHSA-N -1 1 371.436 2.326 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000452058124 560348695 /nfs/dbraw/zinc/34/86/95/560348695.db2.gz WZWKCNKVRYHGQB-UHFFFAOYSA-N -1 1 371.409 2.487 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCC1CCOCC1 ZINC000452211305 560355615 /nfs/dbraw/zinc/35/56/15/560355615.db2.gz WGKWUWSNXMRILT-UHFFFAOYSA-N -1 1 360.458 2.307 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](CC(C)(C)C(N)=O)C3)cnc2n1 ZINC000452442068 560364985 /nfs/dbraw/zinc/36/49/85/560364985.db2.gz JNUPTQLGQSFQAL-CYBMUJFWSA-N -1 1 370.453 2.398 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1)c2=O ZINC000452442068 560364986 /nfs/dbraw/zinc/36/49/86/560364986.db2.gz JNUPTQLGQSFQAL-CYBMUJFWSA-N -1 1 370.453 2.398 20 0 FEADMM CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000452699382 560371464 /nfs/dbraw/zinc/37/14/64/560371464.db2.gz AEAURFYZUDXOPK-UHFFFAOYSA-N -1 1 366.417 2.225 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]([C@H](CO)C2CC2)C2CC2)c(=O)[n-]1 ZINC000452954724 560379030 /nfs/dbraw/zinc/37/90/30/560379030.db2.gz YLZHAIHVKXOBAO-GDBMZVCRSA-N -1 1 365.499 2.058 20 0 FEADMM CCO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H]1C ZINC000452952552 560379036 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/nfs/dbraw/zinc/37/95/27/562379527.db2.gz QNPKGDZLTFQSSQ-UHFFFAOYSA-N -1 1 372.487 2.245 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)o1 ZINC000529939846 562392254 /nfs/dbraw/zinc/39/22/54/562392254.db2.gz XZCXDXGWSWCYAG-UHFFFAOYSA-N -1 1 364.423 2.334 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000530861223 562426499 /nfs/dbraw/zinc/42/64/99/562426499.db2.gz RIIKIMLGHOARPK-CYBMUJFWSA-N -1 1 360.458 2.015 20 0 FEADMM COc1ccc(NC(=O)NCc2cccc(C)n2)cc1[N-]S(C)(=O)=O ZINC000530863346 562426650 /nfs/dbraw/zinc/42/66/50/562426650.db2.gz GROFXYOKTIVZDV-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM Cc1cc2c[nH]nc2cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000531053391 562433428 /nfs/dbraw/zinc/43/34/28/562433428.db2.gz RCWALCOBFYXEOX-UHFFFAOYSA-N -1 1 350.338 2.181 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](O)C3)c2)c1 ZINC000531488564 562447685 /nfs/dbraw/zinc/44/76/85/562447685.db2.gz FXVJWYVSAGGFSO-MRXNPFEDSA-N -1 1 360.435 2.003 20 0 FEADMM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000532001576 562463670 /nfs/dbraw/zinc/46/36/70/562463670.db2.gz MPVGQBWRPMZPBV-UHFFFAOYSA-N -1 1 368.349 2.127 20 0 FEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)[nH]n1 ZINC000532114278 562467455 /nfs/dbraw/zinc/46/74/55/562467455.db2.gz HPCCOZKIQCMHRZ-JTQLQIEISA-N -1 1 364.427 2.445 20 0 FEADMM O=S(=O)([N-]c1cc(C2CCCCC2)n[nH]1)c1cccc(-n2cnnn2)c1 ZINC000532394205 562476406 /nfs/dbraw/zinc/47/64/06/562476406.db2.gz ZPGDUXRKUIQSBJ-UHFFFAOYSA-N -1 1 373.442 2.234 20 0 FEADMM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000532771055 562488194 /nfs/dbraw/zinc/48/81/94/562488194.db2.gz NIWQVACIQLHCJZ-ZDUSSCGKSA-N -1 1 361.341 2.124 20 0 FEADMM O=C([O-])C1(NCC(=O)N[C@H](c2nccs2)c2ccccc2)CCCC1 ZINC000532881151 562491608 /nfs/dbraw/zinc/49/16/08/562491608.db2.gz QYSHMIFOSNXUOF-HNNXBMFYSA-N -1 1 359.451 2.336 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)co1 ZINC000535146076 562551955 /nfs/dbraw/zinc/55/19/55/562551955.db2.gz CAZGMFCKNXHVOO-UHFFFAOYSA-N -1 1 374.802 2.111 20 0 FEADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000535253142 562554149 /nfs/dbraw/zinc/55/41/49/562554149.db2.gz SSNMXOVXZWWYPN-SECBINFHSA-N -1 1 355.309 2.472 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccco1)c1ccc(Br)c([O-])c1 ZINC000535717230 562565203 /nfs/dbraw/zinc/56/52/03/562565203.db2.gz DJTDMNWZESMDOP-SNVBAGLBSA-N -1 1 354.200 2.329 20 0 FEADMM CC(C)[C@@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccc(F)cc1 ZINC000535910731 562570679 /nfs/dbraw/zinc/57/06/79/562570679.db2.gz PWQJSHVEQKNPMG-CQSZACIVSA-N -1 1 363.462 2.348 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(cccc3OC)s2)co1 ZINC000535919343 562570901 /nfs/dbraw/zinc/57/09/01/562570901.db2.gz PQNKQUSEHRSMHX-UHFFFAOYSA-N -1 1 367.408 2.058 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccncc1Br ZINC000536307697 562574162 /nfs/dbraw/zinc/57/41/62/562574162.db2.gz PHHPHPNFGOOOGO-UHFFFAOYSA-N -1 1 373.276 2.461 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000536491202 562576927 /nfs/dbraw/zinc/57/69/27/562576927.db2.gz JEKPJCYHADQPBD-UHFFFAOYSA-N -1 1 351.380 2.135 20 0 FEADMM CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537196232 562587621 /nfs/dbraw/zinc/58/76/21/562587621.db2.gz CDTZGLVNQRETDG-UHFFFAOYSA-N -1 1 365.407 2.403 20 0 FEADMM Cc1ccsc1[C@H](CO)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000540900808 562596153 /nfs/dbraw/zinc/59/61/53/562596153.db2.gz OYGYXRHAUKVVHX-AWEZNQCLSA-N -1 1 374.466 2.204 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H]1CCCOC1 ZINC000540975359 562599147 /nfs/dbraw/zinc/59/91/47/562599147.db2.gz VUYASUUFNOMJGR-CJNGLKHVSA-N -1 1 367.423 2.069 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)o1 ZINC000541415671 562611416 /nfs/dbraw/zinc/61/14/16/562611416.db2.gz NEHBUOHEWPJWOQ-RHSMWYFYSA-N -1 1 370.471 2.044 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCO[C@H]2C2CC2)o1 ZINC000541415673 562611621 /nfs/dbraw/zinc/61/16/21/562611621.db2.gz NEHBUOHEWPJWOQ-YOEHRIQHSA-N -1 1 370.471 2.044 20 0 FEADMM O=S(=O)([N-]C[C@H](O)COc1ccccc1)c1c(F)cccc1Cl ZINC000545922175 562631154 /nfs/dbraw/zinc/63/11/54/562631154.db2.gz KFPDRHBAQSPSOO-NSHDSACASA-N -1 1 359.806 2.197 20 0 FEADMM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC000806633149 674384453 /nfs/dbraw/zinc/38/44/53/674384453.db2.gz DRTHETWXRQRLQZ-UHFFFAOYSA-N -1 1 370.770 2.271 20 0 FEADMM CC[C@@H](C(N)=O)[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000556326595 674397352 /nfs/dbraw/zinc/39/73/52/674397352.db2.gz INHLXOSIGNLIJU-KRWDZBQOSA-N -1 1 361.467 2.183 20 0 FEADMM COc1ccc(NC(=O)NCc2cccc(O)c2)cc1[N-]S(C)(=O)=O ZINC000556352764 674398486 /nfs/dbraw/zinc/39/84/86/674398486.db2.gz ARJUZCSBMORUFW-UHFFFAOYSA-N -1 1 365.411 2.094 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccc(Cl)cc1SCCC(=O)OC ZINC000601977662 567894536 /nfs/dbraw/zinc/89/45/36/567894536.db2.gz OHQNRNGGYRNOAL-UHFFFAOYSA-N -1 1 367.876 2.383 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)n[n-]1 ZINC000603015721 568051837 /nfs/dbraw/zinc/05/18/37/568051837.db2.gz KRKBROJMIDULNG-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000603015721 568051838 /nfs/dbraw/zinc/05/18/38/568051838.db2.gz KRKBROJMIDULNG-VIFPVBQESA-N -1 1 370.331 2.420 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)n[n-]1 ZINC000603022765 568052648 /nfs/dbraw/zinc/05/26/48/568052648.db2.gz PYQSXPGMYUUZCA-LSDHHAIUSA-N -1 1 356.426 2.257 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000603022765 568052649 /nfs/dbraw/zinc/05/26/49/568052649.db2.gz PYQSXPGMYUUZCA-LSDHHAIUSA-N -1 1 356.426 2.257 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccsc2Br)n[n-]1 ZINC000603158510 568069056 /nfs/dbraw/zinc/06/90/56/568069056.db2.gz ZXGAUOFKWRBFLG-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccsc2Br)[n-]1 ZINC000603158510 568069057 /nfs/dbraw/zinc/06/90/57/568069057.db2.gz ZXGAUOFKWRBFLG-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccsc2Br)n1 ZINC000603158510 568069058 /nfs/dbraw/zinc/06/90/58/568069058.db2.gz ZXGAUOFKWRBFLG-ZCFIWIBFSA-N -1 1 373.232 2.296 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)n[n-]1 ZINC000603152642 568065109 /nfs/dbraw/zinc/06/51/09/568065109.db2.gz CWUWUQDRJOFLFM-FPMFFAJLSA-N -1 1 374.466 2.305 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)[n-]1 ZINC000603152642 568065110 /nfs/dbraw/zinc/06/51/10/568065110.db2.gz CWUWUQDRJOFLFM-FPMFFAJLSA-N -1 1 374.466 2.305 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)n1 ZINC000603152642 568065111 /nfs/dbraw/zinc/06/51/11/568065111.db2.gz CWUWUQDRJOFLFM-FPMFFAJLSA-N -1 1 374.466 2.305 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)n[n-]1 ZINC000603152643 568065158 /nfs/dbraw/zinc/06/51/58/568065158.db2.gz CWUWUQDRJOFLFM-KWCYVHTRSA-N -1 1 374.466 2.305 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)[n-]1 ZINC000603152643 568065159 /nfs/dbraw/zinc/06/51/59/568065159.db2.gz CWUWUQDRJOFLFM-KWCYVHTRSA-N -1 1 374.466 2.305 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)n1 ZINC000603152643 568065160 /nfs/dbraw/zinc/06/51/60/568065160.db2.gz CWUWUQDRJOFLFM-KWCYVHTRSA-N -1 1 374.466 2.305 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)n[n-]1 ZINC000603158474 568069023 /nfs/dbraw/zinc/06/90/23/568069023.db2.gz ZFNQTPHOAYIWOW-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)[n-]1 ZINC000603158474 568069024 /nfs/dbraw/zinc/06/90/24/568069024.db2.gz ZFNQTPHOAYIWOW-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)n1 ZINC000603158474 568069025 /nfs/dbraw/zinc/06/90/25/568069025.db2.gz ZFNQTPHOAYIWOW-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CSc2ccc3c(c2)CCC3)n[n-]1 ZINC000603164871 568069956 /nfs/dbraw/zinc/06/99/56/568069956.db2.gz KZYNDMKTMYESTO-LLVKDONJSA-N -1 1 374.466 2.440 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CSc2ccc3c(c2)CCC3)[n-]1 ZINC000603164871 568069957 /nfs/dbraw/zinc/06/99/57/568069957.db2.gz KZYNDMKTMYESTO-LLVKDONJSA-N -1 1 374.466 2.440 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CSc2ccc3c(c2)CCC3)n1 ZINC000603164871 568069958 /nfs/dbraw/zinc/06/99/58/568069958.db2.gz KZYNDMKTMYESTO-LLVKDONJSA-N -1 1 374.466 2.440 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCc2cccc(Cl)c2)n[n-]1 ZINC000603166837 568070365 /nfs/dbraw/zinc/07/03/65/568070365.db2.gz RZWLVKSLJFHKLR-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCc2cccc(Cl)c2)[n-]1 ZINC000603166837 568070366 /nfs/dbraw/zinc/07/03/66/568070366.db2.gz RZWLVKSLJFHKLR-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCc2cccc(Cl)c2)n1 ZINC000603166837 568070367 /nfs/dbraw/zinc/07/03/67/568070367.db2.gz RZWLVKSLJFHKLR-SNVBAGLBSA-N -1 1 350.806 2.445 20 0 FEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC000603300453 568086586 /nfs/dbraw/zinc/08/65/86/568086586.db2.gz PYWZADUDJKWNLQ-OCCSQVGLSA-N -1 1 361.410 2.223 20 0 FEADMM O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ncccc1[O-] ZINC000603740358 568153859 /nfs/dbraw/zinc/15/38/59/568153859.db2.gz HBPZYTVUFZBKJH-LBPRGKRZSA-N -1 1 365.311 2.341 20 0 FEADMM O=C(CSCC(=O)N1CCCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603878199 568175691 /nfs/dbraw/zinc/17/56/91/568175691.db2.gz AACMQNIHNJARQF-UHFFFAOYSA-N -1 1 374.466 2.467 20 0 FEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)on1 ZINC000603946164 568186305 /nfs/dbraw/zinc/18/63/05/568186305.db2.gz BBYOPHZAXUAIFQ-UHFFFAOYSA-N -1 1 367.402 2.300 20 0 FEADMM CN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000669178775 568277260 /nfs/dbraw/zinc/27/72/60/568277260.db2.gz LEJLBMAAFUTVTH-GFCCVEGCSA-N -1 1 350.369 2.022 20 0 FEADMM CN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])[C@@H]1CCCN(C)C1 ZINC000669178775 568277261 /nfs/dbraw/zinc/27/72/61/568277261.db2.gz LEJLBMAAFUTVTH-GFCCVEGCSA-N -1 1 350.369 2.022 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC[N@H+]1C ZINC000669180511 568278179 /nfs/dbraw/zinc/27/81/79/568278179.db2.gz HFUXLAXJIWEHKG-CMPLNLGQSA-N -1 1 350.369 2.069 20 0 FEADMM COCCNC(=S)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737007771 598828261 /nfs/dbraw/zinc/82/82/61/598828261.db2.gz WYUDCEIMVNCGPL-UHFFFAOYSA-N -1 1 374.495 2.206 20 0 FEADMM CCOCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736623621 598889211 /nfs/dbraw/zinc/88/92/11/598889211.db2.gz JPOIQRDROUTGEB-UHFFFAOYSA-N -1 1 372.454 2.431 20 0 FEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000737224803 598948558 /nfs/dbraw/zinc/94/85/58/598948558.db2.gz GYBMOBHBOQVJGU-UHFFFAOYSA-N -1 1 371.422 2.301 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1F ZINC000737106233 598948706 /nfs/dbraw/zinc/94/87/06/598948706.db2.gz QHFQCBNOHYFBQD-UHFFFAOYSA-N -1 1 363.374 2.124 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cccc1-c1nn[nH]n1 ZINC000822130597 607255210 /nfs/dbraw/zinc/25/52/10/607255210.db2.gz WYXMHRLPDUXLME-UHFFFAOYSA-N -1 1 355.423 2.465 20 0 FEADMM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738022217 598996779 /nfs/dbraw/zinc/99/67/79/598996779.db2.gz CZWMPLQPZQZETR-ZDUSSCGKSA-N -1 1 354.345 2.045 20 0 FEADMM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738022217 598996781 /nfs/dbraw/zinc/99/67/81/598996781.db2.gz CZWMPLQPZQZETR-ZDUSSCGKSA-N -1 1 354.345 2.045 20 0 FEADMM CC(C)COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735843886 598996816 /nfs/dbraw/zinc/99/68/16/598996816.db2.gz CYCDOGLTBOCRKK-UHFFFAOYSA-N -1 1 352.398 2.227 20 0 FEADMM CC(C)COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735843886 598996817 /nfs/dbraw/zinc/99/68/17/598996817.db2.gz CYCDOGLTBOCRKK-UHFFFAOYSA-N -1 1 352.398 2.227 20 0 FEADMM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738177050 599002768 /nfs/dbraw/zinc/00/27/68/599002768.db2.gz DORQQYLLNKQDHW-UHFFFAOYSA-N -1 1 373.380 2.177 20 0 FEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737074438 599019776 /nfs/dbraw/zinc/01/97/76/599019776.db2.gz FYYBMIFGSQMNRX-INIZCTEOSA-N -1 1 350.382 2.248 20 0 FEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737074438 599019778 /nfs/dbraw/zinc/01/97/78/599019778.db2.gz FYYBMIFGSQMNRX-INIZCTEOSA-N -1 1 350.382 2.248 20 0 FEADMM Cc1ccc(F)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737344403 599051643 /nfs/dbraw/zinc/05/16/43/599051643.db2.gz FGZCMFYMFWRHSF-UHFFFAOYSA-N -1 1 352.322 2.221 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000736613781 599097718 /nfs/dbraw/zinc/09/77/18/599097718.db2.gz FVFOOQPJQOSDNQ-HZPDHXFCSA-N -1 1 370.457 2.462 20 0 FEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000736613781 599097721 /nfs/dbraw/zinc/09/77/21/599097721.db2.gz FVFOOQPJQOSDNQ-HZPDHXFCSA-N -1 1 370.457 2.462 20 0 FEADMM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736690236 599140554 /nfs/dbraw/zinc/14/05/54/599140554.db2.gz HRWDQRVGWQGULA-LLVKDONJSA-N -1 1 366.381 2.008 20 0 FEADMM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736690236 599140555 /nfs/dbraw/zinc/14/05/55/599140555.db2.gz HRWDQRVGWQGULA-LLVKDONJSA-N -1 1 366.381 2.008 20 0 FEADMM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1[O-] ZINC000738087836 599219899 /nfs/dbraw/zinc/21/98/99/599219899.db2.gz DDIAUELZAWBGJD-UHFFFAOYSA-N -1 1 359.773 2.035 20 0 FEADMM CC(C)n1cnc(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)c1 ZINC000556803029 674421049 /nfs/dbraw/zinc/42/10/49/674421049.db2.gz CFTLQHBUTFHIGY-UHFFFAOYSA-N -1 1 364.406 2.113 20 0 FEADMM CC(C)[C@@H](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000820041948 598188904 /nfs/dbraw/zinc/18/89/04/598188904.db2.gz ZCDPIMTYUZCFLE-GFCCVEGCSA-N -1 1 358.320 2.219 20 0 FEADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000263377566 598192217 /nfs/dbraw/zinc/19/22/17/598192217.db2.gz AYBWCEGJZONUGB-ZDUSSCGKSA-N -1 1 362.451 2.486 20 0 FEADMM Cc1ccn(Cc2coc(-c3ccc(F)cc3)n2)c(=O)c1-c1nn[n-]n1 ZINC000822373782 607349422 /nfs/dbraw/zinc/34/94/22/607349422.db2.gz BZAHWHSUNXTAJS-UHFFFAOYSA-N -1 1 352.329 2.179 20 0 FEADMM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000737629024 598346984 /nfs/dbraw/zinc/34/69/84/598346984.db2.gz ZOOLGDKUZMIVJL-KNVOCYPGSA-N -1 1 367.257 2.224 20 0 FEADMM FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000737629024 598346986 /nfs/dbraw/zinc/34/69/86/598346986.db2.gz ZOOLGDKUZMIVJL-KNVOCYPGSA-N -1 1 367.257 2.224 20 0 FEADMM CC(C)(C)OC(=O)NCc1cccc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000735639983 598388878 /nfs/dbraw/zinc/38/88/78/598388878.db2.gz SVXJGPJWVPMMMH-UHFFFAOYSA-N -1 1 369.385 2.474 20 0 FEADMM COCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737005257 598400134 /nfs/dbraw/zinc/40/01/34/598400134.db2.gz AXJYPNLWBJKMSD-UHFFFAOYSA-N -1 1 357.345 2.174 20 0 FEADMM COCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737005257 598400135 /nfs/dbraw/zinc/40/01/35/598400135.db2.gz AXJYPNLWBJKMSD-UHFFFAOYSA-N -1 1 357.345 2.174 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(CCOc2ccccc2F)c2ccccc12 ZINC000738372392 598503526 /nfs/dbraw/zinc/50/35/26/598503526.db2.gz PIZZSVHMVPHRRF-UHFFFAOYSA-N -1 1 351.341 2.400 20 0 FEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC1CCCCCC1 ZINC000737982809 598503650 /nfs/dbraw/zinc/50/36/50/598503650.db2.gz QZCYJKIPHOGOHR-UHFFFAOYSA-N -1 1 366.425 2.021 20 0 FEADMM COC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000736947429 598504040 /nfs/dbraw/zinc/50/40/40/598504040.db2.gz KPSYDVXVSQOAFG-UHFFFAOYSA-N -1 1 361.361 2.017 20 0 FEADMM Clc1ccc(NCCc2ccc3c(c2)OCCO3)nc1-c1nnn[n-]1 ZINC000737573420 598571532 /nfs/dbraw/zinc/57/15/32/598571532.db2.gz GZWAVPMRBDQXDT-UHFFFAOYSA-N -1 1 358.789 2.341 20 0 FEADMM Clc1ccc(NCCc2ccc3c(c2)OCCO3)nc1-c1nn[n-]n1 ZINC000737573420 598571533 /nfs/dbraw/zinc/57/15/33/598571533.db2.gz GZWAVPMRBDQXDT-UHFFFAOYSA-N -1 1 358.789 2.341 20 0 FEADMM CCNC(=O)c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736578655 598575320 /nfs/dbraw/zinc/57/53/20/598575320.db2.gz XWEQCFSBHPOWBA-UHFFFAOYSA-N -1 1 357.805 2.277 20 0 FEADMM CCNC(=O)c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736578655 598575321 /nfs/dbraw/zinc/57/53/21/598575321.db2.gz XWEQCFSBHPOWBA-UHFFFAOYSA-N -1 1 357.805 2.277 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000738372510 598676317 /nfs/dbraw/zinc/67/63/17/598676317.db2.gz RKIWMVJRNAKTPS-UHFFFAOYSA-N -1 1 362.180 2.031 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735628471 598677887 /nfs/dbraw/zinc/67/78/87/598677887.db2.gz UWHZTQUGMUAPRY-ZETCQYMHSA-N -1 1 371.854 2.398 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735628471 598677889 /nfs/dbraw/zinc/67/78/89/598677889.db2.gz UWHZTQUGMUAPRY-ZETCQYMHSA-N -1 1 371.854 2.398 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H]1c1ccccc1 ZINC000738355712 598690662 /nfs/dbraw/zinc/69/06/62/598690662.db2.gz QFAAKAVTXALSGO-OAHLLOKOSA-N -1 1 359.386 2.142 20 0 FEADMM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736369392 598692879 /nfs/dbraw/zinc/69/28/79/598692879.db2.gz LRJRWHKDLXAXNG-HNNXBMFYSA-N -1 1 361.402 2.435 20 0 FEADMM CC(=O)Nc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000735489276 598718886 /nfs/dbraw/zinc/71/88/86/598718886.db2.gz YRSBTHZEYZYUHB-UHFFFAOYSA-N -1 1 360.377 2.188 20 0 FEADMM CCc1nn(C)c(CC)c1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000825759891 607850527 /nfs/dbraw/zinc/85/05/27/607850527.db2.gz ORNBADIHSVRSAY-UHFFFAOYSA-N -1 1 352.855 2.447 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](O)c2ccccc2)c(F)c1 ZINC000808341675 674454439 /nfs/dbraw/zinc/45/44/39/674454439.db2.gz XYXPICXSNUAXMS-BMIGLBTASA-N -1 1 357.378 2.374 20 0 FEADMM O=C(O[C@@H]1CCN(c2ccccc2F)C1=O)c1sccc1-c1nn[n-]n1 ZINC000738215934 598780663 /nfs/dbraw/zinc/78/06/63/598780663.db2.gz SXJZUSYZQYUMPH-GFCCVEGCSA-N -1 1 373.369 2.030 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC(C)(C)C ZINC000737486163 598786551 /nfs/dbraw/zinc/78/65/51/598786551.db2.gz BKLOTNGUIORAJL-UHFFFAOYSA-N -1 1 357.418 2.048 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC(C)(C)C ZINC000737486163 598786553 /nfs/dbraw/zinc/78/65/53/598786553.db2.gz BKLOTNGUIORAJL-UHFFFAOYSA-N -1 1 357.418 2.048 20 0 FEADMM C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820684453 599327019 /nfs/dbraw/zinc/32/70/19/599327019.db2.gz PZQOSSUEBUSEHA-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820684453 599327022 /nfs/dbraw/zinc/32/70/22/599327022.db2.gz PZQOSSUEBUSEHA-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM COc1cc(NC(=O)c2c(F)ccc([O-])c2F)cc(S(C)(=O)=O)c1 ZINC000557691134 674461395 /nfs/dbraw/zinc/46/13/95/674461395.db2.gz PYIPKEOVCRUQKL-UHFFFAOYSA-N -1 1 357.334 2.335 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)NC2=S)c(C)c1 ZINC000822241430 599379395 /nfs/dbraw/zinc/37/93/95/599379395.db2.gz VVTZFIXFEDSXOF-WQLSENKSSA-N -1 1 366.406 2.339 20 0 FEADMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)NC2=S)c(C)c1 ZINC000822241430 599379398 /nfs/dbraw/zinc/37/93/98/599379398.db2.gz VVTZFIXFEDSXOF-WQLSENKSSA-N -1 1 366.406 2.339 20 0 FEADMM O=C(CNc1cc(-c2nnn[n-]2)nc2ccccc21)NCc1ccccc1 ZINC000823009322 599475042 /nfs/dbraw/zinc/47/50/42/599475042.db2.gz CXSWZWQIPZIMNI-UHFFFAOYSA-N -1 1 359.393 2.143 20 0 FEADMM O=C(CNc1cc(-c2nn[n-]n2)nc2ccccc21)NCc1ccccc1 ZINC000823009322 599475044 /nfs/dbraw/zinc/47/50/44/599475044.db2.gz CXSWZWQIPZIMNI-UHFFFAOYSA-N -1 1 359.393 2.143 20 0 FEADMM CC(C)OC1CCC([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000632135111 676977728 /nfs/dbraw/zinc/97/77/28/676977728.db2.gz XQCFMDSBRMSRJR-UHFFFAOYSA-N -1 1 355.382 2.443 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)CCCN(C)C(=O)[O-])CC2)cc1 ZINC000738004791 599729586 /nfs/dbraw/zinc/72/95/86/599729586.db2.gz WICGKSXXVPFQIE-UHFFFAOYSA-N -1 1 363.458 2.120 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C(=O)[O-])s1 ZINC000737680425 599813911 /nfs/dbraw/zinc/81/39/11/599813911.db2.gz IYNNWRSCSONZIA-UHFFFAOYSA-N -1 1 371.392 2.042 20 0 FEADMM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000738963114 599884533 /nfs/dbraw/zinc/88/45/33/599884533.db2.gz HPRJXNRYCKNTGZ-SECBINFHSA-N -1 1 371.349 2.024 20 0 FEADMM CC(C)(C)C1CCC2(CC(=O)N(CN3CC[C@H](C(=O)[O-])C3)C2=O)CC1 ZINC000736257476 599921418 /nfs/dbraw/zinc/92/14/18/599921418.db2.gz XQWKTEGLEMEJTG-CDJWAVJASA-N -1 1 350.459 2.332 20 0 FEADMM CCOC(=O)c1c(CC)c(C)sc1NC(=O)CNC(C)(C)C(=O)[O-] ZINC000737149021 599924892 /nfs/dbraw/zinc/92/48/92/599924892.db2.gz STTGTVIETBWLEA-UHFFFAOYSA-N -1 1 356.444 2.187 20 0 FEADMM O=C([O-])CSCc1cccc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000739874216 599926913 /nfs/dbraw/zinc/92/69/13/599926913.db2.gz OQVYQRYHYUWTLU-UHFFFAOYSA-N -1 1 356.400 2.339 20 0 FEADMM COCCN1CCC[C@@H](NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000737808702 599954646 /nfs/dbraw/zinc/95/46/46/599954646.db2.gz DNDREJMSHCVKGK-ZIAGYGMSSA-N -1 1 366.483 2.092 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000738404906 599957285 /nfs/dbraw/zinc/95/72/85/599957285.db2.gz AXKHOQBSPWWGHZ-UHFFFAOYSA-N -1 1 360.458 2.075 20 0 FEADMM CCOc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)ccc1OCC(=O)[O-] ZINC000737193707 599988034 /nfs/dbraw/zinc/98/80/34/599988034.db2.gz VHPYIHUOISKILQ-UHFFFAOYSA-N -1 1 372.337 2.179 20 0 FEADMM CCC(CC)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)N1CCOCC1 ZINC000736896093 600014905 /nfs/dbraw/zinc/01/49/05/600014905.db2.gz WKOIYHYRQBAGQN-OFLPRAFFSA-N -1 1 369.506 2.066 20 0 FEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000739826781 600054860 /nfs/dbraw/zinc/05/48/60/600054860.db2.gz SLHWKHAETZPNIL-UHFFFAOYSA-N -1 1 365.411 2.262 20 0 FEADMM C[C@](NC(=O)c1n[nH]c2ccc(Br)cc21)(C(=O)[O-])C1CC1 ZINC000736661670 600200706 /nfs/dbraw/zinc/20/07/06/600200706.db2.gz YGVWHQBQQFSTGA-CQSZACIVSA-N -1 1 352.188 2.309 20 0 FEADMM C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000736794487 600226488 /nfs/dbraw/zinc/22/64/88/600226488.db2.gz PJTSUBHCTWWDAT-CQSZACIVSA-N -1 1 368.499 2.315 20 0 FEADMM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])s1 ZINC000736145796 600255047 /nfs/dbraw/zinc/25/50/47/600255047.db2.gz VUPFDZDUAJJJEV-MRVPVSSYSA-N -1 1 371.440 2.081 20 0 FEADMM CC(C)OCc1cccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736486291 600291172 /nfs/dbraw/zinc/29/11/72/600291172.db2.gz PCQCYXBQWMQMNQ-GOSISDBHSA-N -1 1 374.481 2.415 20 0 FEADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736207845 600292421 /nfs/dbraw/zinc/29/24/21/600292421.db2.gz JUUOZTRUBFFKGG-KBMXLJTQSA-N -1 1 358.438 2.202 20 0 FEADMM CC(C)Oc1ccc(CCNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736492230 600302698 /nfs/dbraw/zinc/30/26/98/600302698.db2.gz XTSGDVRSPZTGOO-SFHVURJKSA-N -1 1 374.481 2.319 20 0 FEADMM C[C@@H](OCCCNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736700883 600302855 /nfs/dbraw/zinc/30/28/55/600302855.db2.gz OASSPMDSYDFGNM-SJLPKXTDSA-N -1 1 374.481 2.457 20 0 FEADMM C[C@H](C[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(=O)[O-] ZINC000736572807 600361286 /nfs/dbraw/zinc/36/12/86/600361286.db2.gz SBGHDDBTKHMLAD-MRVPVSSYSA-N -1 1 358.320 2.173 20 0 FEADMM C[C@H](C[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(=O)[O-] ZINC000736572807 600361291 /nfs/dbraw/zinc/36/12/91/600361291.db2.gz SBGHDDBTKHMLAD-MRVPVSSYSA-N -1 1 358.320 2.173 20 0 FEADMM C[C@H](CN(C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000736572807 600361294 /nfs/dbraw/zinc/36/12/94/600361294.db2.gz SBGHDDBTKHMLAD-MRVPVSSYSA-N -1 1 358.320 2.173 20 0 FEADMM CN1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000737522998 600376725 /nfs/dbraw/zinc/37/67/25/600376725.db2.gz SCXOBXGULQXMGI-STQMWFEESA-N -1 1 355.232 2.175 20 0 FEADMM O=C([O-])c1sccc1S(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000740290459 600384601 /nfs/dbraw/zinc/38/46/01/600384601.db2.gz STOCAHMLMRJYQN-UHFFFAOYSA-N -1 1 350.381 2.032 20 0 FEADMM O=C([O-])[C@@H]1CCCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000262179681 600389677 /nfs/dbraw/zinc/38/96/77/600389677.db2.gz WJPPQBMZSBFLON-NSHDSACASA-N -1 1 356.304 2.069 20 0 FEADMM O=C([O-])[C@@H](c1ccccc1)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000738525271 600400332 /nfs/dbraw/zinc/40/03/32/600400332.db2.gz JHEOBTPFAFNSQE-LJQANCHMSA-N -1 1 372.396 2.175 20 0 FEADMM O=C([O-])C1(NC(=O)CN(CCO)[C@H]2CCCc3ccccc32)CCCCC1 ZINC000739275771 600443439 /nfs/dbraw/zinc/44/34/39/600443439.db2.gz ZPCNPPNMZWDWSE-SFHVURJKSA-N -1 1 374.481 2.262 20 0 FEADMM O=C([O-])c1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000740145654 600515787 /nfs/dbraw/zinc/51/57/87/600515787.db2.gz DCAOOWVYOANJHZ-LSDHHAIUSA-N -1 1 367.833 2.101 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000568634313 600570893 /nfs/dbraw/zinc/57/08/93/600570893.db2.gz PMTKOBYWZZLPFC-MWLCHTKSSA-N -1 1 356.444 2.213 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 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GGHVSRQFULFOOL-KRWDZBQOSA-N -1 1 374.462 2.280 20 0 FEADMM CN(CC(=O)NCCC(=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC000737393519 600795464 /nfs/dbraw/zinc/79/54/64/600795464.db2.gz ATMHMGIGFDKNPQ-UHFFFAOYSA-N -1 1 369.259 2.003 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@@H](N2CCC3(C2)CCOCC3)C1=O ZINC000833336402 600799798 /nfs/dbraw/zinc/79/97/98/600799798.db2.gz PIAUZHUUCGHWCF-CYBMUJFWSA-N -1 1 350.440 2.054 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@H](Sc2nc(C3CC3)n[nH]2)C1=O ZINC000833339218 600806281 /nfs/dbraw/zinc/80/62/81/600806281.db2.gz UTZPWQYGCBUWQS-VIFPVBQESA-N -1 1 350.425 2.339 20 0 FEADMM O=C([O-])c1ccsc1N1CC[C@H](Sc2n[nH]c(C3CC3)n2)C1=O ZINC000833339218 600806282 /nfs/dbraw/zinc/80/62/82/600806282.db2.gz UTZPWQYGCBUWQS-VIFPVBQESA-N -1 1 350.425 2.339 20 0 FEADMM O=C([O-])c1ccc(OCCN2CCC(NC(=O)C3CC3)CC2)c(Cl)c1 ZINC000833320992 600818307 /nfs/dbraw/zinc/81/83/07/600818307.db2.gz DAWOHPJCQPCXGA-UHFFFAOYSA-N -1 1 366.845 2.408 20 0 FEADMM Cc1nnc(SCCC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])[nH]1 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354.834 2.115 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000630221622 601100061 /nfs/dbraw/zinc/10/00/61/601100061.db2.gz AEDPXBYAAYIFTF-AGIUHOORSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000827375256 601104713 /nfs/dbraw/zinc/10/47/13/601104713.db2.gz RVCIQBXXBVHDOC-MRXNPFEDSA-N -1 1 359.470 2.298 20 0 FEADMM Cc1oc(CN2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)cc1C(=O)[O-] ZINC000738979160 601104853 /nfs/dbraw/zinc/10/48/53/601104853.db2.gz LFPMWNGWXZQQCX-CYBMUJFWSA-N -1 1 362.430 2.499 20 0 FEADMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224553 601107005 /nfs/dbraw/zinc/10/70/05/601107005.db2.gz PAWSWZGSLSVWJN-KBPBESRZSA-N -1 1 368.861 2.423 20 0 FEADMM O=C([O-])Nc1cccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000833288760 601122255 /nfs/dbraw/zinc/12/22/55/601122255.db2.gz MGXMGDRHMWIIGT-UHFFFAOYSA-N -1 1 370.390 2.414 20 0 FEADMM CCCCCc1nnc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)s1 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361.379 2.150 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824266397 607507401 /nfs/dbraw/zinc/50/74/01/607507401.db2.gz KSPJJQRICCXMDA-LBPRGKRZSA-N -1 1 372.433 2.010 20 0 FEADMM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000824266397 607507402 /nfs/dbraw/zinc/50/74/02/607507402.db2.gz KSPJJQRICCXMDA-LBPRGKRZSA-N -1 1 372.433 2.010 20 0 FEADMM COC[C@](C)(CC(=O)[O-])NCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000831586005 601490820 /nfs/dbraw/zinc/49/08/20/601490820.db2.gz RCQAYONJRHRLRK-IBGZPJMESA-N -1 1 361.417 2.470 20 0 FEADMM C[C@@H]1CN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000828432301 601506363 /nfs/dbraw/zinc/50/63/63/601506363.db2.gz MPUPCAJGFLLZMJ-OCCSQVGLSA-N -1 1 358.360 2.230 20 0 FEADMM CCN(CC)C(=O)CN1CCCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000829653971 601617645 /nfs/dbraw/zinc/61/76/45/601617645.db2.gz MEKNEADNDOWFBB-UHFFFAOYSA-N -1 1 367.515 2.131 20 0 FEADMM Cc1cc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)[nH]n1 ZINC000832884028 601668830 /nfs/dbraw/zinc/66/88/30/601668830.db2.gz SUXQAZVZWXYSPA-ZDUSSCGKSA-N -1 1 371.315 2.491 20 0 FEADMM COc1ccc(CN2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)cc1 ZINC000832313868 601687603 /nfs/dbraw/zinc/68/76/03/601687603.db2.gz DTVIMBOEJHUNSJ-UHFFFAOYSA-N -1 1 363.458 2.023 20 0 FEADMM C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1C(=O)[O-] ZINC000828413410 601717529 /nfs/dbraw/zinc/71/75/29/601717529.db2.gz RDVFLTQLYFCLFG-OIBJUYFYSA-N -1 1 352.188 2.118 20 0 FEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(CCC(=O)[O-])CC1 ZINC000662219198 601840578 /nfs/dbraw/zinc/84/05/78/601840578.db2.gz NXOJXDHQFFOKOR-CYBMUJFWSA-N -1 1 362.426 2.362 20 0 FEADMM C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC(CCC(=O)[O-])CC1 ZINC000595881703 601844752 /nfs/dbraw/zinc/84/47/52/601844752.db2.gz FOTLNGAETDBHPJ-CYBMUJFWSA-N -1 1 353.463 2.110 20 0 FEADMM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000740477989 601893223 /nfs/dbraw/zinc/89/32/23/601893223.db2.gz LTXVKDWJAVACHG-UHTWSYAYSA-N -1 1 356.386 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/nfs/dbraw/zinc/93/96/25/601939625.db2.gz NALSTCUJZIGCHZ-STQMWFEESA-N -1 1 353.850 2.449 20 0 FEADMM CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccn1 ZINC000825796762 607538626 /nfs/dbraw/zinc/53/86/26/607538626.db2.gz MTAJGWNJPGWOMS-UHFFFAOYSA-N -1 1 365.426 2.227 20 0 FEADMM CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccn1 ZINC000825796762 607538628 /nfs/dbraw/zinc/53/86/28/607538628.db2.gz MTAJGWNJPGWOMS-UHFFFAOYSA-N -1 1 365.426 2.227 20 0 FEADMM CCOCCO[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000825604675 607543590 /nfs/dbraw/zinc/54/35/90/607543590.db2.gz JKZCPMJYFWTVLD-ZDUSSCGKSA-N -1 1 354.414 2.047 20 0 FEADMM CCOCCO[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000825604675 607543591 /nfs/dbraw/zinc/54/35/91/607543591.db2.gz JKZCPMJYFWTVLD-ZDUSSCGKSA-N -1 1 354.414 2.047 20 0 FEADMM CN(C[C@H]1CCCN(C(=O)NCCN2CCc3ccccc3C2)C1)C(=O)[O-] ZINC000739643441 602085344 /nfs/dbraw/zinc/08/53/44/602085344.db2.gz QVHNHMVCHHNVJJ-MRXNPFEDSA-N -1 1 374.485 2.076 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000833325154 602224955 /nfs/dbraw/zinc/22/49/55/602224955.db2.gz TVSWCUMPLZFRPS-LLVKDONJSA-N -1 1 355.803 2.117 20 0 FEADMM COc1ccc(OC)c([C@H](O)CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c1 ZINC000739931375 602264376 /nfs/dbraw/zinc/26/43/76/602264376.db2.gz PULTYJGVGKGJCF-UHOFOFEASA-N -1 1 352.431 2.248 20 0 FEADMM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NCCc1nc[nH]n1 ZINC000833144420 602314825 /nfs/dbraw/zinc/31/48/25/602314825.db2.gz ZTCXPUFGNYKPPI-UHFFFAOYSA-N -1 1 372.406 2.361 20 0 FEADMM O=C([O-])CCNC(=O)CN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000833236423 602341745 /nfs/dbraw/zinc/34/17/45/602341745.db2.gz JOETUSMAFQTYJG-UHFFFAOYSA-N -1 1 358.360 2.476 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000827369370 602367614 /nfs/dbraw/zinc/36/76/14/602367614.db2.gz WOPUSVXBWLDJGL-GFCCVEGCSA-N -1 1 371.384 2.343 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000739022851 602445625 /nfs/dbraw/zinc/44/56/25/602445625.db2.gz FYEGWICXELGVHG-OAHLLOKOSA-N -1 1 359.470 2.203 20 0 FEADMM COc1ccccc1S(=O)(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739981141 602447673 /nfs/dbraw/zinc/44/76/73/602447673.db2.gz FLVJEOSQQJDGJY-UHFFFAOYSA-N -1 1 366.395 2.142 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000738823671 602493768 /nfs/dbraw/zinc/49/37/68/602493768.db2.gz HGCBXYNSCCGUPX-ZDUSSCGKSA-N -1 1 353.394 2.002 20 0 FEADMM C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738627392 602534562 /nfs/dbraw/zinc/53/45/62/602534562.db2.gz GVRZYULRBLCKOZ-STQMWFEESA-N -1 1 353.850 2.276 20 0 FEADMM O=S(=O)(Oc1ccccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826494105 607573061 /nfs/dbraw/zinc/57/30/61/607573061.db2.gz ORDTYGSPRQVNJM-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=S(=O)(Oc1ccccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826494105 607573063 /nfs/dbraw/zinc/57/30/63/607573063.db2.gz ORDTYGSPRQVNJM-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM O=Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826484277 607574008 /nfs/dbraw/zinc/57/40/08/607574008.db2.gz WJNFEOIXTTYELV-UHFFFAOYSA-N -1 1 364.770 2.100 20 0 FEADMM CCOc1ccccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825658289 607575214 /nfs/dbraw/zinc/57/52/14/607575214.db2.gz CXVJYPOPIGEASN-UHFFFAOYSA-N -1 1 360.395 2.342 20 0 FEADMM CN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825985926 607577029 /nfs/dbraw/zinc/57/70/29/607577029.db2.gz GCNCGASXDNMHKB-UHFFFAOYSA-N -1 1 369.859 2.402 20 0 FEADMM CN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825985926 607577030 /nfs/dbraw/zinc/57/70/30/607577030.db2.gz GCNCGASXDNMHKB-UHFFFAOYSA-N -1 1 369.859 2.402 20 0 FEADMM O=C([O-])NC[C@@H](NC(=O)N1CCN2CCCC[C@@H]2C1)C1CCCCC1 ZINC000740614703 602639855 /nfs/dbraw/zinc/63/98/55/602639855.db2.gz UOWBZLCBAQEHNW-HZPDHXFCSA-N -1 1 352.479 2.083 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)Cc2ccccc21 ZINC000824992008 607578266 /nfs/dbraw/zinc/57/82/66/607578266.db2.gz INKUUYMJEMNSQL-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)Cc2ccccc21 ZINC000824992008 607578267 /nfs/dbraw/zinc/57/82/67/607578267.db2.gz INKUUYMJEMNSQL-LLVKDONJSA-N -1 1 373.413 2.314 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824427396 607578014 /nfs/dbraw/zinc/57/80/14/607578014.db2.gz MQDHQADRKLPKAZ-LLVKDONJSA-N -1 1 361.402 2.088 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824929785 607585229 /nfs/dbraw/zinc/58/52/29/607585229.db2.gz ZARGELMVGZEBQH-ZJUUUORDSA-N -1 1 355.851 2.377 20 0 FEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824929785 607585230 /nfs/dbraw/zinc/58/52/30/607585230.db2.gz ZARGELMVGZEBQH-ZJUUUORDSA-N -1 1 355.851 2.377 20 0 FEADMM CN(C)Cc1cc(CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)ccc1F ZINC000739609380 602807942 /nfs/dbraw/zinc/80/79/42/602807942.db2.gz ANZLHGNQSPKPMD-ZDUSSCGKSA-N -1 1 366.437 2.077 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739132702 602811422 /nfs/dbraw/zinc/81/14/22/602811422.db2.gz GASNRFUBBCHWQP-QLFBSQMISA-N -1 1 364.446 2.104 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC[C@H]1NC(=O)[O-] ZINC000739136535 602815781 /nfs/dbraw/zinc/81/57/81/602815781.db2.gz OBCFFPJTZIBJPV-MRVWCRGKSA-N -1 1 354.476 2.038 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)NC(=O)[O-] ZINC000738782494 602826528 /nfs/dbraw/zinc/82/65/28/602826528.db2.gz AJWSQKCFHMESTE-GJZGRUSLSA-N -1 1 354.426 2.020 20 0 FEADMM CCc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000825711849 607588670 /nfs/dbraw/zinc/58/86/70/607588670.db2.gz HGIMIIXVDMPYEA-UHFFFAOYSA-N -1 1 367.431 2.108 20 0 FEADMM C[C@H]1CN(C(=O)c2cccc(Br)c2O)CC[C@@H]1NC(=O)[O-] ZINC000739166565 602869029 /nfs/dbraw/zinc/86/90/29/602869029.db2.gz KEZPACIIIVHUFA-KWQFWETISA-N -1 1 357.204 2.273 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)CC[C@H]1NC(=O)[O-] ZINC000739138358 602928606 /nfs/dbraw/zinc/92/86/06/602928606.db2.gz RTVSJDMHUDVZCS-JHJVBQTASA-N -1 1 354.476 2.038 20 0 FEADMM O=C([O-])N1CC[C@H](CN2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 ZINC000740497861 602979982 /nfs/dbraw/zinc/97/99/82/602979982.db2.gz BUWCNSSORXHGQI-CQSZACIVSA-N -1 1 365.861 2.027 20 0 FEADMM COc1cccc(SCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826217595 607602754 /nfs/dbraw/zinc/60/27/54/607602754.db2.gz UKWVZFFRJYXINB-UHFFFAOYSA-N -1 1 357.395 2.106 20 0 FEADMM COc1cccc(SCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826217595 607602756 /nfs/dbraw/zinc/60/27/56/607602756.db2.gz UKWVZFFRJYXINB-UHFFFAOYSA-N -1 1 357.395 2.106 20 0 FEADMM CC[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CCN1C[C@@H](C)O ZINC000826691484 603059139 /nfs/dbraw/zinc/05/91/39/603059139.db2.gz RXQJPMWTOPPJTA-DGCLKSJQSA-N -1 1 369.849 2.347 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-n2cccc2)cc1O ZINC000826467310 607606394 /nfs/dbraw/zinc/60/63/94/607606394.db2.gz QJFRYVXBOSKFGY-UHFFFAOYSA-N -1 1 362.349 2.115 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-n2cccc2)cc1O ZINC000826467310 607606396 /nfs/dbraw/zinc/60/63/96/607606396.db2.gz QJFRYVXBOSKFGY-UHFFFAOYSA-N -1 1 362.349 2.115 20 0 FEADMM CC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000824824672 607611778 /nfs/dbraw/zinc/61/17/78/607611778.db2.gz WSILCAAAPXTBOL-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM CC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000824824672 607611780 /nfs/dbraw/zinc/61/17/80/607611780.db2.gz WSILCAAAPXTBOL-UHFFFAOYSA-N -1 1 355.851 2.379 20 0 FEADMM CCCN(CC(=O)N(C)Cc1ccc(OC)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352725 603236265 /nfs/dbraw/zinc/23/62/65/603236265.db2.gz WKSQDCWUJNZVTB-INIZCTEOSA-N -1 1 363.458 2.118 20 0 FEADMM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740575736 603262000 /nfs/dbraw/zinc/26/20/00/603262000.db2.gz SDAGMBOZWGNGFF-AAEUAGOBSA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740575736 603262001 /nfs/dbraw/zinc/26/20/01/603262001.db2.gz SDAGMBOZWGNGFF-AAEUAGOBSA-N -1 1 361.377 2.053 20 0 FEADMM O=C([O-])N[C@@H](C(=O)N1CCN(C2CCC2)CC1)c1cccc(Cl)c1 ZINC000740530581 603315058 /nfs/dbraw/zinc/31/50/58/603315058.db2.gz SLUUPGAYNVSZFP-OAHLLOKOSA-N -1 1 351.834 2.345 20 0 FEADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@H]1CCN(C(=O)[O-])C1 ZINC000739888626 603347553 /nfs/dbraw/zinc/34/75/53/603347553.db2.gz DPOLFKQFGKPVMR-ZBFHGGJFSA-N -1 1 361.442 2.406 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cs1 ZINC000828761777 603398613 /nfs/dbraw/zinc/39/86/13/603398613.db2.gz ZMLMPZZKGKZWMJ-UHFFFAOYSA-N -1 1 356.381 2.425 20 0 FEADMM CN(C)Cc1ccsc1C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000828046879 603544574 /nfs/dbraw/zinc/54/45/74/603544574.db2.gz URUXTZGIDBHOOO-UHFFFAOYSA-N -1 1 369.487 2.089 20 0 FEADMM CS(=O)(=O)C1(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)CCC1 ZINC000559050214 674525669 /nfs/dbraw/zinc/52/56/69/674525669.db2.gz CYBYEUHXMBTJTF-UHFFFAOYSA-N -1 1 368.842 2.291 20 0 FEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000829835158 603576878 /nfs/dbraw/zinc/57/68/78/603576878.db2.gz YOIXZLMMZDRGFF-SECBINFHSA-N -1 1 350.341 2.491 20 0 FEADMM CC(C)(CNC(=O)c1n[nH]c2ccc(Br)cc21)NC(=O)[O-] ZINC000824005904 603659534 /nfs/dbraw/zinc/65/95/34/603659534.db2.gz NPUXBXIHVGAORQ-UHFFFAOYSA-N -1 1 355.192 2.101 20 0 FEADMM C[C@@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])N1CCc2ccccc2C1 ZINC000824930132 603682749 /nfs/dbraw/zinc/68/27/49/603682749.db2.gz IZRVPJLHUHQJBQ-MAUKXSAKSA-N -1 1 374.485 2.217 20 0 FEADMM CN(C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])c1ccc(F)cc1 ZINC000827994016 603806909 /nfs/dbraw/zinc/80/69/09/603806909.db2.gz GPQNGYKFGQFFFF-CWRNSKLLSA-N -1 1 366.437 2.164 20 0 FEADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000832482188 603846808 /nfs/dbraw/zinc/84/68/08/603846808.db2.gz MSVSDMDOHYHTLY-YOEHRIQHSA-N -1 1 354.410 2.413 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccsc1 ZINC000827994012 604025158 /nfs/dbraw/zinc/02/51/58/604025158.db2.gz GNYOYACINQPOPD-CQSZACIVSA-N -1 1 354.476 2.135 20 0 FEADMM CC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825194092 607669104 /nfs/dbraw/zinc/66/91/04/607669104.db2.gz OZXVSOGRHOWJIM-GXSJLCMTSA-N -1 1 355.851 2.377 20 0 FEADMM CC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825194092 607669105 /nfs/dbraw/zinc/66/91/05/607669105.db2.gz OZXVSOGRHOWJIM-GXSJLCMTSA-N -1 1 355.851 2.377 20 0 FEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000832147367 604058324 /nfs/dbraw/zinc/05/83/24/604058324.db2.gz FOQYDDMEOKZPCS-MRXNPFEDSA-N -1 1 370.384 2.240 20 0 FEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000827161089 604098673 /nfs/dbraw/zinc/09/86/73/604098673.db2.gz BSTRMTKVJPNPQI-MRXNPFEDSA-N -1 1 351.422 2.248 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@@H]3CCCC[C@H]3CNC(=O)[O-])[nH]c2c1 ZINC000830433448 604196006 /nfs/dbraw/zinc/19/60/06/604196006.db2.gz UKZFSMZDQLQJBD-QWHCGFSZSA-N -1 1 359.430 2.497 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000829357094 604258693 /nfs/dbraw/zinc/25/86/93/604258693.db2.gz MUOZKRRECXWLTM-ZBFHGGJFSA-N -1 1 363.458 2.022 20 0 FEADMM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000824176874 604343988 /nfs/dbraw/zinc/34/39/88/604343988.db2.gz OCWIPOFHGASZJN-QGZVFWFLSA-N -1 1 360.418 2.461 20 0 FEADMM C[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@@H](C)CN1C ZINC000833627006 604569173 /nfs/dbraw/zinc/56/91/73/604569173.db2.gz PCOAAPZIVHEBAN-RYUDHWBXSA-N -1 1 365.499 2.288 20 0 FEADMM C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@H](C)CN1C ZINC000833627007 604569372 /nfs/dbraw/zinc/56/93/72/604569372.db2.gz PCOAAPZIVHEBAN-VXGBXAGGSA-N -1 1 365.499 2.288 20 0 FEADMM O=C([O-])N1CC(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000833133847 604572032 /nfs/dbraw/zinc/57/20/32/604572032.db2.gz LYEZCEWCDATBFP-OAHLLOKOSA-N -1 1 366.849 2.138 20 0 FEADMM COc1ncc(COC(=O)c2sccc2-c2nn[n-]n2)cc1Cl ZINC000826222443 607705796 /nfs/dbraw/zinc/70/57/96/607705796.db2.gz WYQLFNNQHCMTOO-UHFFFAOYSA-N -1 1 351.775 2.342 20 0 FEADMM O=C([O-])C1(NCC(=O)NCCc2cccc3cccnc32)CCCCC1 ZINC000821388777 604787703 /nfs/dbraw/zinc/78/77/03/604787703.db2.gz HMXUOPVVZNAGBT-UHFFFAOYSA-N -1 1 355.438 2.271 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n[nH]2)cc1 ZINC000829233732 604810980 /nfs/dbraw/zinc/81/09/80/604810980.db2.gz FNNHLOCDZJEUNZ-CYBMUJFWSA-N -1 1 358.398 2.300 20 0 FEADMM O=C([O-])c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1F ZINC000833130159 604813363 /nfs/dbraw/zinc/81/33/63/604813363.db2.gz ZAXBANHWIZYQOG-UHFFFAOYSA-N -1 1 357.385 2.313 20 0 FEADMM COc1ccccc1N1C(=O)C[C@@H](N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833736610 604857352 /nfs/dbraw/zinc/85/73/52/604857352.db2.gz QQEJLQVFQQZLLQ-DZGCQCFKSA-N -1 1 374.437 2.150 20 0 FEADMM CC1CCC2(CC1)NC(=O)N(CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)C2=O ZINC000833613402 604868585 /nfs/dbraw/zinc/86/85/85/604868585.db2.gz ZBABLRMSFSRTBB-BIWSTMPVSA-N -1 1 365.474 2.267 20 0 FEADMM C[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825107757 604896150 /nfs/dbraw/zinc/89/61/50/604896150.db2.gz IAQSWAVEDPRPOL-ONGXEEELSA-N -1 1 366.805 2.162 20 0 FEADMM Cc1sc2nc(CNC3(CC(=O)[O-])CCOCC3)nc(N)c2c1C ZINC000833758341 604911027 /nfs/dbraw/zinc/91/10/27/604911027.db2.gz DMKZBTUJIGRKMO-UHFFFAOYSA-N -1 1 350.444 2.004 20 0 FEADMM C[C@H](CC(=O)N1C[C@H]2CCCCN2C[C@@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824563644 604924378 /nfs/dbraw/zinc/92/43/78/604924378.db2.gz CTRBOGQBAFYJRC-HLLBOEOZSA-N -1 1 351.491 2.488 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)n[nH]2)cc1 ZINC000829234724 604950111 /nfs/dbraw/zinc/95/01/11/604950111.db2.gz RMFDNLIGRVRDSJ-SMDDNHRTSA-N -1 1 358.398 2.204 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000833412982 604992150 /nfs/dbraw/zinc/99/21/50/604992150.db2.gz ACKGBEQIIBVBAK-MRVPVSSYSA-N -1 1 361.514 2.268 20 0 FEADMM O=C([O-])CCc1csc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC000833240979 604992763 /nfs/dbraw/zinc/99/27/63/604992763.db2.gz UCPVXTUYQSODGV-UHFFFAOYSA-N -1 1 372.410 2.267 20 0 FEADMM O=C([O-])CCc1csc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC000833240979 604992765 /nfs/dbraw/zinc/99/27/65/604992765.db2.gz UCPVXTUYQSODGV-UHFFFAOYSA-N -1 1 372.410 2.267 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-])N1CCCC[C@@H]1C ZINC000833615971 605017514 /nfs/dbraw/zinc/01/75/14/605017514.db2.gz UCMROYOFHKSCGR-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC000833550318 605020270 /nfs/dbraw/zinc/02/02/70/605020270.db2.gz WGPTXWFZBWTJQY-GOEBONIOSA-N -1 1 374.462 2.499 20 0 FEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833623290 605041594 /nfs/dbraw/zinc/04/15/94/605041594.db2.gz JQZWTJDWDHTGRH-MFKMUULPSA-N -1 1 360.863 2.045 20 0 FEADMM CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833623289 605041669 /nfs/dbraw/zinc/04/16/69/605041669.db2.gz JQZWTJDWDHTGRH-GXFFZTMASA-N -1 1 360.863 2.045 20 0 FEADMM CC(=O)N1CC[C@H](N=c2nc(C)[nH]c3sc(C(=O)[O-])c(C)c32)[C@@H](C)C1 ZINC000833394929 605062109 /nfs/dbraw/zinc/06/21/09/605062109.db2.gz VAQFLXMBIBLMIM-UFBFGSQYSA-N -1 1 362.455 2.097 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000833620156 605105152 /nfs/dbraw/zinc/10/51/52/605105152.db2.gz KNRZERZJVCWCLD-OSAQELSMSA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000833620545 605112146 /nfs/dbraw/zinc/11/21/46/605112146.db2.gz LDPTVRWLKJCPQX-XBFCOCLRSA-N -1 1 352.381 2.076 20 0 FEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C[C@H]1C ZINC000833657613 605164980 /nfs/dbraw/zinc/16/49/80/605164980.db2.gz MZPANVQSIJJDAX-VXGBXAGGSA-N -1 1 363.414 2.118 20 0 FEADMM CC(C)(C)OC(=O)N[C@H]1CCN(CCOc2ccccc2C(=O)[O-])C1 ZINC000833439698 605214600 /nfs/dbraw/zinc/21/46/00/605214600.db2.gz WUMRVCCKDSSACQ-ZDUSSCGKSA-N -1 1 350.415 2.363 20 0 FEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000833732072 605229264 /nfs/dbraw/zinc/22/92/64/605229264.db2.gz KIZHSBVSYRTNFC-MRXNPFEDSA-N -1 1 366.377 2.426 20 0 FEADMM O=C([O-])c1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)on1 ZINC000833778056 605262852 /nfs/dbraw/zinc/26/28/52/605262852.db2.gz PIFISZBMWOWBIX-UHFFFAOYSA-N -1 1 363.801 2.421 20 0 FEADMM COc1ccc(C)cc1CN1CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)CC1 ZINC000833730932 605320973 /nfs/dbraw/zinc/32/09/73/605320973.db2.gz POBUZBXNNNJOEP-KRWDZBQOSA-N -1 1 360.454 2.269 20 0 FEADMM C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000824916082 607748010 /nfs/dbraw/zinc/74/80/10/607748010.db2.gz JHBGTHSQSWIROK-NHYWBVRUSA-N -1 1 370.438 2.179 20 0 FEADMM C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000824916082 607748011 /nfs/dbraw/zinc/74/80/11/607748011.db2.gz JHBGTHSQSWIROK-NHYWBVRUSA-N -1 1 370.438 2.179 20 0 FEADMM O=C([O-])N1CC(CC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834068028 605375269 /nfs/dbraw/zinc/37/52/69/605375269.db2.gz QUQVFJGZHRAIBT-OAHLLOKOSA-N -1 1 369.425 2.178 20 0 FEADMM O=C([O-])N1CCC[C@H]1CN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000834000299 605558909 /nfs/dbraw/zinc/55/89/09/605558909.db2.gz VJLHYYXOVQDRPG-SFHVURJKSA-N -1 1 359.470 2.296 20 0 FEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000834241123 605565986 /nfs/dbraw/zinc/56/59/86/605565986.db2.gz OMGKBOSUNTUTDH-GFCCVEGCSA-N -1 1 357.813 2.075 20 0 FEADMM COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)N(C)C)c1 ZINC000829543020 605587007 /nfs/dbraw/zinc/58/70/07/605587007.db2.gz CIXMEKNXZQVISD-HUUCEWRRSA-N -1 1 351.447 2.096 20 0 FEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000833834959 605683553 /nfs/dbraw/zinc/68/35/53/605683553.db2.gz SKHOKLHYEFZVEN-VHSXEESVSA-N -1 1 358.341 2.495 20 0 FEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)CN2CCC(NC(=O)[O-])CC2)cc1 ZINC000830287882 605722073 /nfs/dbraw/zinc/72/20/73/605722073.db2.gz BAYFTCCZGQKLFZ-SFHVURJKSA-N -1 1 359.470 2.261 20 0 FEADMM O=C([O-])NC1CCN(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000834180891 605820954 /nfs/dbraw/zinc/82/09/54/605820954.db2.gz AHOBILCJKWEEBH-GFOMBABLSA-N -1 1 357.454 2.423 20 0 FEADMM O=C([O-])N(CC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834068677 605971319 /nfs/dbraw/zinc/97/13/19/605971319.db2.gz LYUMSNFNQRAPOB-AWEZNQCLSA-N -1 1 355.398 2.278 20 0 FEADMM O=C([O-])N1CCCC[C@@H]1CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000834110015 605981780 /nfs/dbraw/zinc/98/17/80/605981780.db2.gz VKIYYUSKDPSQKB-OCCSQVGLSA-N -1 1 356.419 2.166 20 0 FEADMM O=C([O-])N1CCCC[C@@H]1CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000834110016 605982143 /nfs/dbraw/zinc/98/21/43/605982143.db2.gz VKIYYUSKDPSQKB-TZMCWYRMSA-N -1 1 356.419 2.166 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cnn(-c3ccccc3)c2)c2ccccc12 ZINC000823656511 606021980 /nfs/dbraw/zinc/02/19/80/606021980.db2.gz FKIQVCIZWZDOPA-UHFFFAOYSA-N -1 1 369.388 2.416 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000819922215 606100958 /nfs/dbraw/zinc/10/09/58/606100958.db2.gz HDFJQBWUVPDPRC-VIFPVBQESA-N -1 1 350.810 2.083 20 0 FEADMM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000819922215 606100959 /nfs/dbraw/zinc/10/09/59/606100959.db2.gz HDFJQBWUVPDPRC-VIFPVBQESA-N -1 1 350.810 2.083 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821449567 606103503 /nfs/dbraw/zinc/10/35/03/606103503.db2.gz VFIYJVNUUSGZQH-GUEPYNSDSA-N -1 1 371.470 2.302 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821449567 606103506 /nfs/dbraw/zinc/10/35/06/606103506.db2.gz VFIYJVNUUSGZQH-GUEPYNSDSA-N -1 1 371.470 2.302 20 0 FEADMM CCO[C@H](C)c1noc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810066291 674528719 /nfs/dbraw/zinc/52/87/19/674528719.db2.gz JVAFKZSSMGHTRC-MNOVXSKESA-N -1 1 364.368 2.058 20 0 FEADMM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC000820698681 606135514 /nfs/dbraw/zinc/13/55/14/606135514.db2.gz VYOJVGDABCHBAW-MXWKQRLJSA-N -1 1 363.443 2.026 20 0 FEADMM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC000820698681 606135515 /nfs/dbraw/zinc/13/55/15/606135515.db2.gz VYOJVGDABCHBAW-MXWKQRLJSA-N -1 1 363.443 2.026 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1c[nH]c2ccccc21 ZINC000823396020 606136502 /nfs/dbraw/zinc/13/65/02/606136502.db2.gz CRYWNXXRQNGVFE-UHFFFAOYSA-N -1 1 353.363 2.449 20 0 FEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1c[nH]c2ccccc21 ZINC000823396020 606136503 /nfs/dbraw/zinc/13/65/03/606136503.db2.gz CRYWNXXRQNGVFE-UHFFFAOYSA-N -1 1 353.363 2.449 20 0 FEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820826557 606144870 /nfs/dbraw/zinc/14/48/70/606144870.db2.gz NQXZKJUYKXPRPI-JTQLQIEISA-N -1 1 359.386 2.271 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc[nH]c2C)c1-c1nn[n-]n1 ZINC000822486576 606150994 /nfs/dbraw/zinc/15/09/94/606150994.db2.gz PLAQSZCUMSQMIH-UHFFFAOYSA-N -1 1 363.381 2.354 20 0 FEADMM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820031899 606158062 /nfs/dbraw/zinc/15/80/62/606158062.db2.gz JPSVGLXNVPFXJH-AWEZNQCLSA-N -1 1 354.418 2.461 20 0 FEADMM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820031899 606158065 /nfs/dbraw/zinc/15/80/65/606158065.db2.gz JPSVGLXNVPFXJH-AWEZNQCLSA-N -1 1 354.418 2.461 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000822609849 606173453 /nfs/dbraw/zinc/17/34/53/606173453.db2.gz XAETTXOKMIFZCC-AWEZNQCLSA-N -1 1 370.392 2.402 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000822609849 606173455 /nfs/dbraw/zinc/17/34/55/606173455.db2.gz XAETTXOKMIFZCC-AWEZNQCLSA-N -1 1 370.392 2.402 20 0 FEADMM CCOC(=O)COc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821335017 606180235 /nfs/dbraw/zinc/18/02/35/606180235.db2.gz VNZLSOCYZPIQSN-UHFFFAOYSA-N -1 1 374.378 2.089 20 0 FEADMM CCOC(=O)COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821335017 606180237 /nfs/dbraw/zinc/18/02/37/606180237.db2.gz VNZLSOCYZPIQSN-UHFFFAOYSA-N -1 1 374.378 2.089 20 0 FEADMM CCC[C@@H](CCO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821022243 606288441 /nfs/dbraw/zinc/28/84/41/606288441.db2.gz QGKLEIOMCJFOKU-ZDUSSCGKSA-N -1 1 372.429 2.087 20 0 FEADMM CCC[C@@H](CCO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821022243 606288443 /nfs/dbraw/zinc/28/84/43/606288443.db2.gz QGKLEIOMCJFOKU-ZDUSSCGKSA-N -1 1 372.429 2.087 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1COc2ccc(Cl)cc2C1 ZINC000823294622 606294770 /nfs/dbraw/zinc/29/47/70/606294770.db2.gz KNQOHICBKINQPO-NSHDSACASA-N -1 1 371.784 2.416 20 0 FEADMM O=C(CCCn1cnc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964355 606298163 /nfs/dbraw/zinc/29/81/63/606298163.db2.gz HFDRQYGXCNNGDO-UHFFFAOYSA-N -1 1 363.381 2.341 20 0 FEADMM CC(C)n1cc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000810191384 674536294 /nfs/dbraw/zinc/53/62/94/674536294.db2.gz YYLDSQJEPZLNPA-LLVKDONJSA-N -1 1 361.368 2.386 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCCSC1 ZINC000822535153 606364767 /nfs/dbraw/zinc/36/47/67/606364767.db2.gz IEHUUIUQOPYMAW-NSHDSACASA-N -1 1 358.427 2.184 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCCSC1 ZINC000822535153 606364768 /nfs/dbraw/zinc/36/47/68/606364768.db2.gz IEHUUIUQOPYMAW-NSHDSACASA-N -1 1 358.427 2.184 20 0 FEADMM COc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nc1 ZINC000810203933 674537075 /nfs/dbraw/zinc/53/70/75/674537075.db2.gz GTUPVPPCHWTVFI-JTQLQIEISA-N -1 1 360.336 2.013 20 0 FEADMM COc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1 ZINC000821783088 606391968 /nfs/dbraw/zinc/39/19/68/606391968.db2.gz VZEWGCKGEMNBPW-XYOKQWHBSA-N -1 1 353.363 2.281 20 0 FEADMM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821612401 606477669 /nfs/dbraw/zinc/47/76/69/606477669.db2.gz UCVVQIIHMJHUPJ-XMMPIXPASA-N -1 1 362.846 2.289 20 0 FEADMM CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821612401 606477671 /nfs/dbraw/zinc/47/76/71/606477671.db2.gz UCVVQIIHMJHUPJ-XMMPIXPASA-N -1 1 362.846 2.289 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000821658697 606500326 /nfs/dbraw/zinc/50/03/26/606500326.db2.gz FPFLIOCFYUEMLH-MRVPVSSYSA-N -1 1 363.424 2.024 20 0 FEADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000821658697 606500328 /nfs/dbraw/zinc/50/03/28/606500328.db2.gz FPFLIOCFYUEMLH-MRVPVSSYSA-N -1 1 363.424 2.024 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000823478359 606509444 /nfs/dbraw/zinc/50/94/44/606509444.db2.gz KDYNVHZVRMVPAX-GHMZBOCLSA-N -1 1 365.484 2.055 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000823478359 606509446 /nfs/dbraw/zinc/50/94/46/606509446.db2.gz KDYNVHZVRMVPAX-GHMZBOCLSA-N -1 1 365.484 2.055 20 0 FEADMM CC(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820137612 606514901 /nfs/dbraw/zinc/51/49/01/606514901.db2.gz LWLDRLBEYZQPOD-UHFFFAOYSA-N -1 1 356.411 2.319 20 0 FEADMM CC(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820137612 606514903 /nfs/dbraw/zinc/51/49/03/606514903.db2.gz LWLDRLBEYZQPOD-UHFFFAOYSA-N -1 1 356.411 2.319 20 0 FEADMM O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823265607 606522221 /nfs/dbraw/zinc/52/22/21/606522221.db2.gz BJMZUDQXLKSBCQ-UHFFFAOYSA-N -1 1 359.802 2.159 20 0 FEADMM O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823265607 606522223 /nfs/dbraw/zinc/52/22/23/606522223.db2.gz BJMZUDQXLKSBCQ-UHFFFAOYSA-N -1 1 359.802 2.159 20 0 FEADMM O=C(NCCN1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823197928 606528311 /nfs/dbraw/zinc/52/83/11/606528311.db2.gz WMRLHHMADXOJIT-UHFFFAOYSA-N -1 1 354.439 2.111 20 0 FEADMM O=C(NCCN1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823197928 606528313 /nfs/dbraw/zinc/52/83/13/606528313.db2.gz WMRLHHMADXOJIT-UHFFFAOYSA-N -1 1 354.439 2.111 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)Nc3n[nH]cc3-c3nnn[n-]3)cs2)cc1 ZINC000822213854 606531831 /nfs/dbraw/zinc/53/18/31/606531831.db2.gz DHCRRHFHXKDSFS-UHFFFAOYSA-N -1 1 366.410 2.203 20 0 FEADMM Cc1ccc(-c2nc(CC(=O)Nc3n[nH]cc3-c3nn[n-]n3)cs2)cc1 ZINC000822213854 606531833 /nfs/dbraw/zinc/53/18/33/606531833.db2.gz DHCRRHFHXKDSFS-UHFFFAOYSA-N -1 1 366.410 2.203 20 0 FEADMM Cc1cccc(-c2nc(CC(=O)Nc3n[nH]cc3-c3nnn[n-]3)cs2)c1 ZINC000822284007 606532202 /nfs/dbraw/zinc/53/22/02/606532202.db2.gz GCXRXKWOWWSXMF-UHFFFAOYSA-N -1 1 366.410 2.203 20 0 FEADMM Cc1cccc(-c2nc(CC(=O)Nc3n[nH]cc3-c3nn[n-]n3)cs2)c1 ZINC000822284007 606532204 /nfs/dbraw/zinc/53/22/04/606532204.db2.gz GCXRXKWOWWSXMF-UHFFFAOYSA-N -1 1 366.410 2.203 20 0 FEADMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823176081 606554812 /nfs/dbraw/zinc/55/48/12/606554812.db2.gz PUCGMPWVLQHLAK-GXSJLCMTSA-N -1 1 354.336 2.360 20 0 FEADMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823176081 606554814 /nfs/dbraw/zinc/55/48/14/606554814.db2.gz PUCGMPWVLQHLAK-GXSJLCMTSA-N -1 1 354.336 2.360 20 0 FEADMM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150464 606565571 /nfs/dbraw/zinc/56/55/71/606565571.db2.gz PTDAPLKZNDSACJ-LBPRGKRZSA-N -1 1 372.429 2.466 20 0 FEADMM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150464 606565572 /nfs/dbraw/zinc/56/55/72/606565572.db2.gz PTDAPLKZNDSACJ-LBPRGKRZSA-N -1 1 372.429 2.466 20 0 FEADMM COC(=O)Nc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821664980 606568039 /nfs/dbraw/zinc/56/80/39/606568039.db2.gz QUPJRJQNSVGVFG-UHFFFAOYSA-N -1 1 372.410 2.079 20 0 FEADMM COC(=O)Nc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821664980 606568040 /nfs/dbraw/zinc/56/80/40/606568040.db2.gz QUPJRJQNSVGVFG-UHFFFAOYSA-N -1 1 372.410 2.079 20 0 FEADMM CCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821334327 606569360 /nfs/dbraw/zinc/56/93/60/606569360.db2.gz MJLFEMZPUIKNNF-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821334327 606569362 /nfs/dbraw/zinc/56/93/62/606569362.db2.gz MJLFEMZPUIKNNF-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139529 606571771 /nfs/dbraw/zinc/57/17/71/606571771.db2.gz HNKQSBGTSNQKGK-CYBMUJFWSA-N -1 1 365.422 2.296 20 0 FEADMM O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139529 606571773 /nfs/dbraw/zinc/57/17/73/606571773.db2.gz HNKQSBGTSNQKGK-CYBMUJFWSA-N -1 1 365.422 2.296 20 0 FEADMM Cc1cc2ccccc2nc1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822212909 606626176 /nfs/dbraw/zinc/62/61/76/606626176.db2.gz MIPNKHYKAMWUQO-UHFFFAOYSA-N -1 1 363.429 2.098 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823435904 606648470 /nfs/dbraw/zinc/64/84/70/606648470.db2.gz DCLCNHHVAGXKGD-YPMHNXCESA-N -1 1 357.320 2.387 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823435904 606648471 /nfs/dbraw/zinc/64/84/71/606648471.db2.gz DCLCNHHVAGXKGD-YPMHNXCESA-N -1 1 357.320 2.387 20 0 FEADMM CCOc1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000821437010 606653269 /nfs/dbraw/zinc/65/32/69/606653269.db2.gz JAZPOEVTLNMERK-UHFFFAOYSA-N -1 1 360.761 2.066 20 0 FEADMM CCOc1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000821437010 606653270 /nfs/dbraw/zinc/65/32/70/606653270.db2.gz JAZPOEVTLNMERK-UHFFFAOYSA-N -1 1 360.761 2.066 20 0 FEADMM COc1ccc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000821854677 606653494 /nfs/dbraw/zinc/65/34/94/606653494.db2.gz RMEREAUDVNLNOY-UHFFFAOYSA-N -1 1 350.338 2.109 20 0 FEADMM COc1ccc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000821854677 606653495 /nfs/dbraw/zinc/65/34/95/606653495.db2.gz RMEREAUDVNLNOY-UHFFFAOYSA-N -1 1 350.338 2.109 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1SCCc2ccccc21 ZINC000823436285 606653764 /nfs/dbraw/zinc/65/37/64/606653764.db2.gz OOXQGMGJYSYZCT-HNNXBMFYSA-N -1 1 353.407 2.336 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1SCCc2ccccc21 ZINC000823436285 606653765 /nfs/dbraw/zinc/65/37/65/606653765.db2.gz OOXQGMGJYSYZCT-HNNXBMFYSA-N -1 1 353.407 2.336 20 0 FEADMM CC[C@H]1CCC[C@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820971709 606815490 /nfs/dbraw/zinc/81/54/90/606815490.db2.gz FBEDOGCEWPFECD-GXTWGEPZSA-N -1 1 358.446 2.212 20 0 FEADMM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1cncc([O-])c1 ZINC000559545596 674546896 /nfs/dbraw/zinc/54/68/96/674546896.db2.gz BKMRSUKXTZEDFU-UHFFFAOYSA-N -1 1 350.321 2.271 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccco1 ZINC000823607229 606844608 /nfs/dbraw/zinc/84/46/08/606844608.db2.gz RXTFVCXUSIWDEJ-GFCCVEGCSA-N -1 1 363.374 2.125 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC/C(Cl)=C/Cl ZINC000822009911 606944843 /nfs/dbraw/zinc/94/48/43/606944843.db2.gz HIQQKEISVQMYSY-UITAMQMPSA-N -1 1 372.212 2.379 20 0 FEADMM c1cc([C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)cs1 ZINC000823796434 606949901 /nfs/dbraw/zinc/94/99/01/606949901.db2.gz AIXVFVGUOJNEGQ-CQSZACIVSA-N -1 1 365.422 2.449 20 0 FEADMM c1cc([C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)cs1 ZINC000823796434 606949902 /nfs/dbraw/zinc/94/99/02/606949902.db2.gz AIXVFVGUOJNEGQ-CQSZACIVSA-N -1 1 365.422 2.449 20 0 FEADMM Clc1ccc(N2CC(c3nc4ccccc4[nH]3)C2)nc1-c1nnn[n-]1 ZINC000822573962 607022495 /nfs/dbraw/zinc/02/24/95/607022495.db2.gz LOQHBUPOBJSHNY-UHFFFAOYSA-N -1 1 352.789 2.395 20 0 FEADMM Clc1ccc(N2CC(c3nc4ccccc4[nH]3)C2)nc1-c1nn[n-]n1 ZINC000822573962 607022497 /nfs/dbraw/zinc/02/24/97/607022497.db2.gz LOQHBUPOBJSHNY-UHFFFAOYSA-N -1 1 352.789 2.395 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000823383276 607024571 /nfs/dbraw/zinc/02/45/71/607024571.db2.gz OWZXWUKNLGXBMA-GFCCVEGCSA-N -1 1 372.410 2.133 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000823383276 607024574 /nfs/dbraw/zinc/02/45/74/607024574.db2.gz OWZXWUKNLGXBMA-GFCCVEGCSA-N -1 1 372.410 2.133 20 0 FEADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820728264 607047673 /nfs/dbraw/zinc/04/76/73/607047673.db2.gz UKCNTLDRWQKNMP-SWLSCSKDSA-N -1 1 361.413 2.094 20 0 FEADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820728264 607047675 /nfs/dbraw/zinc/04/76/75/607047675.db2.gz UKCNTLDRWQKNMP-SWLSCSKDSA-N -1 1 361.413 2.094 20 0 FEADMM O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1c([O-])cc(F)cc1F ZINC000823413152 607081680 /nfs/dbraw/zinc/08/16/80/607081680.db2.gz BIZCKXUKNFRSQU-UHFFFAOYSA-N -1 1 350.256 2.347 20 0 FEADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820667848 607107388 /nfs/dbraw/zinc/10/73/88/607107388.db2.gz OKWPIHZYZCGYQK-LDYMZIIASA-N -1 1 369.410 2.170 20 0 FEADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820667848 607107391 /nfs/dbraw/zinc/10/73/91/607107391.db2.gz OKWPIHZYZCGYQK-LDYMZIIASA-N -1 1 369.410 2.170 20 0 FEADMM CCc1nn(C)c(CC)c1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000825759891 607850526 /nfs/dbraw/zinc/85/05/26/607850526.db2.gz ORNBADIHSVRSAY-UHFFFAOYSA-N -1 1 352.855 2.447 20 0 FEADMM COc1ccc(Cc2nnc(Sc3cccc(-c4nnn[n-]4)n3)o2)cc1 ZINC000826208257 607895551 /nfs/dbraw/zinc/89/55/51/607895551.db2.gz BMGFDRFNXDLXEW-UHFFFAOYSA-N -1 1 367.394 2.395 20 0 FEADMM COc1ccc(Cc2nnc(Sc3cccc(-c4nn[n-]n4)n3)o2)cc1 ZINC000826208257 607895552 /nfs/dbraw/zinc/89/55/52/607895552.db2.gz BMGFDRFNXDLXEW-UHFFFAOYSA-N -1 1 367.394 2.395 20 0 FEADMM O=C(Nc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826459461 607945328 /nfs/dbraw/zinc/94/53/28/607945328.db2.gz KUDULHMNSBTNQK-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM O=C(Nc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826459461 607945329 /nfs/dbraw/zinc/94/53/29/607945329.db2.gz KUDULHMNSBTNQK-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM COc1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cc1OC ZINC000826182001 608013386 /nfs/dbraw/zinc/01/33/86/608013386.db2.gz WFOQTQQCFIGSFS-UHFFFAOYSA-N -1 1 369.410 2.252 20 0 FEADMM COc1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cc1OC ZINC000826182001 608013387 /nfs/dbraw/zinc/01/33/87/608013387.db2.gz WFOQTQQCFIGSFS-UHFFFAOYSA-N -1 1 369.410 2.252 20 0 FEADMM CC(C)(C)N(Cc1cccc(F)c1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824093729 608147718 /nfs/dbraw/zinc/14/77/18/608147718.db2.gz LSUCCGQZOJLWLJ-UHFFFAOYSA-N -1 1 357.393 2.030 20 0 FEADMM CC(C)(C)N(Cc1cccc(F)c1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824093729 608147720 /nfs/dbraw/zinc/14/77/20/608147720.db2.gz LSUCCGQZOJLWLJ-UHFFFAOYSA-N -1 1 357.393 2.030 20 0 FEADMM Cc1ccnc(Cl)c1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826309275 608154282 /nfs/dbraw/zinc/15/42/82/608154282.db2.gz JWMOCVVNJSAMCL-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM Cc1ccnc(Cl)c1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826309275 608154283 /nfs/dbraw/zinc/15/42/83/608154283.db2.gz JWMOCVVNJSAMCL-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1CC(F)F ZINC000825212218 608234822 /nfs/dbraw/zinc/23/48/22/608234822.db2.gz QEFAREKTRNEITL-VIFPVBQESA-N -1 1 357.796 2.081 20 0 FEADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1CC(F)F ZINC000825212218 608234823 /nfs/dbraw/zinc/23/48/23/608234823.db2.gz QEFAREKTRNEITL-VIFPVBQESA-N -1 1 357.796 2.081 20 0 FEADMM Cc1cc(CN(C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)no1 ZINC000826266328 608308209 /nfs/dbraw/zinc/30/82/09/608308209.db2.gz LFTYSFNDJIHJAW-UHFFFAOYSA-N -1 1 364.413 2.289 20 0 FEADMM Cc1noc(CCC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)n1 ZINC000826339913 608347910 /nfs/dbraw/zinc/34/79/10/608347910.db2.gz ZGWAEYLVYFJHIC-UHFFFAOYSA-N -1 1 361.431 2.488 20 0 FEADMM Cc1noc(CCC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)n1 ZINC000826339913 608347912 /nfs/dbraw/zinc/34/79/12/608347912.db2.gz ZGWAEYLVYFJHIC-UHFFFAOYSA-N -1 1 361.431 2.488 20 0 FEADMM Clc1ccc(N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826351947 608404913 /nfs/dbraw/zinc/40/49/13/608404913.db2.gz HUANKHCJUJJFFX-NSHDSACASA-N -1 1 356.821 2.249 20 0 FEADMM Clc1ccc(N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826351947 608404916 /nfs/dbraw/zinc/40/49/16/608404916.db2.gz HUANKHCJUJJFFX-NSHDSACASA-N -1 1 356.821 2.249 20 0 FEADMM CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccc(F)cc1 ZINC000825797166 608434634 /nfs/dbraw/zinc/43/46/34/608434634.db2.gz WSERHPFUHITJMF-UHFFFAOYSA-N -1 1 369.389 2.225 20 0 FEADMM CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccc(F)cc1 ZINC000825797166 608434635 /nfs/dbraw/zinc/43/46/35/608434635.db2.gz WSERHPFUHITJMF-UHFFFAOYSA-N -1 1 369.389 2.225 20 0 FEADMM O=S(=O)(Oc1c(F)cccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000826493328 608565813 /nfs/dbraw/zinc/56/58/13/608565813.db2.gz FZRXXMBIWNKMCV-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000826335260 608617926 /nfs/dbraw/zinc/61/79/26/608617926.db2.gz GFGUGQPKJBLVIA-HNNXBMFYSA-N -1 1 363.381 2.451 20 0 FEADMM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(-c3nn[n-]n3)o2)o1 ZINC000826335260 608617927 /nfs/dbraw/zinc/61/79/27/608617927.db2.gz GFGUGQPKJBLVIA-HNNXBMFYSA-N -1 1 363.381 2.451 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@@H]1CCCCO1 ZINC000826340895 609141902 /nfs/dbraw/zinc/14/19/02/609141902.db2.gz OKJFTPDTTXDKOS-ZDUSSCGKSA-N -1 1 370.413 2.248 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@@H]1CCCCO1 ZINC000826340895 609141904 /nfs/dbraw/zinc/14/19/04/609141904.db2.gz OKJFTPDTTXDKOS-ZDUSSCGKSA-N -1 1 370.413 2.248 20 0 FEADMM CC[C@@H](C)[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825050304 609147293 /nfs/dbraw/zinc/14/72/93/609147293.db2.gz HQTZKNDMHMOOBQ-NEPJUHHUSA-N -1 1 373.461 2.063 20 0 FEADMM O=C(NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nnn[n-]2)s1 ZINC000826434869 609236410 /nfs/dbraw/zinc/23/64/10/609236410.db2.gz ABFYLSAGKMDOER-LLVKDONJSA-N -1 1 363.443 2.124 20 0 FEADMM O=C(NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)s1 ZINC000826434869 609236412 /nfs/dbraw/zinc/23/64/12/609236412.db2.gz ABFYLSAGKMDOER-LLVKDONJSA-N -1 1 363.443 2.124 20 0 FEADMM CCc1cnc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000825733640 609278981 /nfs/dbraw/zinc/27/89/81/609278981.db2.gz HHBQBNCCUBVZJZ-UHFFFAOYSA-N -1 1 354.349 2.354 20 0 FEADMM CCCc1nc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000825352625 609279054 /nfs/dbraw/zinc/27/90/54/609279054.db2.gz OKEFPAXTGJYFID-UHFFFAOYSA-N -1 1 369.364 2.139 20 0 FEADMM CC(Cl)(Cl)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824465963 609290563 /nfs/dbraw/zinc/29/05/63/609290563.db2.gz TXZLNEOKFXAKBS-UHFFFAOYSA-N -1 1 370.175 2.324 20 0 FEADMM CS[C@@H](C)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826225149 609292204 /nfs/dbraw/zinc/29/22/04/609292204.db2.gz UUVASADCOCTBHG-VIFPVBQESA-N -1 1 361.406 2.272 20 0 FEADMM c1ccc(-c2n[nH]c([C@H]3CCCN(c4cccc(-c5nn[n-]n5)n4)C3)n2)cc1 ZINC000826519275 609294050 /nfs/dbraw/zinc/29/40/50/609294050.db2.gz RHBOIYSFMIRDJO-AWEZNQCLSA-N -1 1 373.424 2.431 20 0 FEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ncc(C(C)(C)C)o1 ZINC000826294822 609313510 /nfs/dbraw/zinc/31/35/10/609313510.db2.gz FDEPHLQQVMJDDH-UHFFFAOYSA-N -1 1 365.397 2.219 20 0 FEADMM Fc1ccc(-n2cnc3c2CCN(c2cccc(-c4nnn[n-]4)n2)C3)cc1 ZINC000826373293 609313565 /nfs/dbraw/zinc/31/35/65/609313565.db2.gz HHOBIBKNUIUYNR-UHFFFAOYSA-N -1 1 362.372 2.149 20 0 FEADMM Fc1ccc(-n2cnc3c2CCN(c2cccc(-c4nn[n-]n4)n2)C3)cc1 ZINC000826373293 609313566 /nfs/dbraw/zinc/31/35/66/609313566.db2.gz HHOBIBKNUIUYNR-UHFFFAOYSA-N -1 1 362.372 2.149 20 0 FEADMM O=S(=O)(Oc1ccc2ccncc2c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493381 609315869 /nfs/dbraw/zinc/31/58/69/609315869.db2.gz IAVOFXSRKLZTGX-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=S(=O)(Oc1ccc2ccncc2c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493381 609315871 /nfs/dbraw/zinc/31/58/71/609315871.db2.gz IAVOFXSRKLZTGX-UHFFFAOYSA-N -1 1 371.353 2.322 20 0 FEADMM O=C(NCc1ccco1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443266 609362831 /nfs/dbraw/zinc/36/28/31/609362831.db2.gz IOVKCQJXVCTCLQ-UHFFFAOYSA-N -1 1 368.332 2.106 20 0 FEADMM C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC000824918397 609401446 /nfs/dbraw/zinc/40/14/46/609401446.db2.gz PVNLZJMHIVDHPL-MEDUHNTESA-N -1 1 365.434 2.207 20 0 FEADMM COCc1ccccc1S(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1C ZINC000826165066 609423541 /nfs/dbraw/zinc/42/35/41/609423541.db2.gz DMMKBHUIDLVKEU-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM Cc1ccccc1OCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810898479 674567164 /nfs/dbraw/zinc/56/71/64/674567164.db2.gz ZNGLXHUVYKZLFM-CYBMUJFWSA-N -1 1 358.360 2.291 20 0 FEADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000811836162 674632942 /nfs/dbraw/zinc/63/29/42/674632942.db2.gz GJOFTYBBEFDWLS-UHFFFAOYSA-N -1 1 353.787 2.175 20 0 FEADMM CC(C)OCCO[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000812804115 674699494 /nfs/dbraw/zinc/69/94/94/674699494.db2.gz BCZWTLOLPQGNKC-AWEZNQCLSA-N -1 1 354.834 2.161 20 0 FEADMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1c(C)onc1N ZINC000562018681 674716663 /nfs/dbraw/zinc/71/66/63/674716663.db2.gz VIKKNWYHTLRTJZ-SOUVJXGZSA-N -1 1 365.455 2.195 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc3sccc3c2)o1 ZINC000562177071 674726772 /nfs/dbraw/zinc/72/67/72/674726772.db2.gz UBXQKVDVWVVNCN-UHFFFAOYSA-N -1 1 350.421 2.332 20 0 FEADMM COc1cc(NC(=O)N2CC(C3CCC3)C2)ccc1[N-]S(C)(=O)=O ZINC000562175440 674726800 /nfs/dbraw/zinc/72/68/00/674726800.db2.gz ZSTFJKMDTDCYFA-UHFFFAOYSA-N -1 1 353.444 2.331 20 0 FEADMM C[C@]1(F)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000562188356 674727569 /nfs/dbraw/zinc/72/75/69/674727569.db2.gz CWQNRFHAEBCQBC-ZDUSSCGKSA-N -1 1 369.245 2.232 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H](O)C2CCCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813635818 674763621 /nfs/dbraw/zinc/76/36/21/674763621.db2.gz HQYPDIRZWRWVQV-IMIFBBOLSA-N -1 1 364.408 2.232 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)cc1 ZINC000562599691 674774833 /nfs/dbraw/zinc/77/48/33/674774833.db2.gz LOPKNHMFOSPSFD-UHFFFAOYSA-N -1 1 356.407 2.193 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)cc1 ZINC000562599691 674774835 /nfs/dbraw/zinc/77/48/35/674774835.db2.gz LOPKNHMFOSPSFD-UHFFFAOYSA-N -1 1 356.407 2.193 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[C@H](c3ccccc3)O2)co1 ZINC000814061015 674814811 /nfs/dbraw/zinc/81/48/11/674814811.db2.gz LUUBUZSNAPHSGN-LSDHHAIUSA-N -1 1 365.407 2.265 20 0 FEADMM CCCCC[C@H](C)NC(CC)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000814350710 674833099 /nfs/dbraw/zinc/83/30/99/674833099.db2.gz QNZIXRHDFYOYJE-FWJVZWRSSA-N -1 1 355.504 2.099 20 0 FEADMM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1ccc(Cl)c2nonc21 ZINC000814377938 674835429 /nfs/dbraw/zinc/83/54/29/674835429.db2.gz GPTKPWCNKHHVAJ-RXMQYKEDSA-N -1 1 356.618 2.348 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2C[C@H](C)OC3(CCC3)C2)c(=O)[n-]1 ZINC000563187544 674856033 /nfs/dbraw/zinc/85/60/33/674856033.db2.gz UYHVEXSCPGMPHM-NSHDSACASA-N -1 1 351.472 2.315 20 0 FEADMM O=C([O-])c1cn([C@@H]2CCCN(CCOc3ccccc3Cl)C2)nn1 ZINC000563289637 674869234 /nfs/dbraw/zinc/86/92/34/674869234.db2.gz NATGECHOURIBDN-GFCCVEGCSA-N -1 1 350.806 2.346 20 0 FEADMM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000814996650 674893983 /nfs/dbraw/zinc/89/39/83/674893983.db2.gz TXIDISMMLSEMMJ-JTQLQIEISA-N -1 1 363.361 2.185 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000563945301 674957029 /nfs/dbraw/zinc/95/70/29/674957029.db2.gz VFCJSUKHZPUOTP-UHFFFAOYSA-N -1 1 361.320 2.282 20 0 FEADMM C[C@@](O)(C(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000815500227 674954876 /nfs/dbraw/zinc/95/48/76/674954876.db2.gz UCCBSJUZTHAATI-SFHVURJKSA-N -1 1 361.781 2.047 20 0 FEADMM C[C@](O)(C(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000815500226 674955054 /nfs/dbraw/zinc/95/50/54/674955054.db2.gz UCCBSJUZTHAATI-GOSISDBHSA-N -1 1 361.781 2.047 20 0 FEADMM CC(C)(CNC(=O)c1ccc(Br)cc1[O-])[C@]1(O)CCOC1 ZINC000649090085 677325615 /nfs/dbraw/zinc/32/56/15/677325615.db2.gz XIGPRCQJQIIRPS-HNNXBMFYSA-N -1 1 358.232 2.062 20 0 FEADMM CCC(Nc1ccccc1CC)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009952196 669985408 /nfs/dbraw/zinc/98/54/08/669985408.db2.gz DAPFOXZANHHREV-SQFISAMPSA-N -1 1 361.467 2.215 20 0 FEADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2cccnc2)cc1 ZINC000017169111 670023617 /nfs/dbraw/zinc/02/36/17/670023617.db2.gz BSCHYSIEYLBSPO-UHFFFAOYSA-N -1 1 355.423 2.328 20 0 FEADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCOC)cc1 ZINC000017321532 670023646 /nfs/dbraw/zinc/02/36/46/670023646.db2.gz UXOUAOXAUUOKAH-UHFFFAOYSA-N -1 1 350.444 2.159 20 0 FEADMM CO[C@H]1CCC[C@H](C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000816667929 675071920 /nfs/dbraw/zinc/07/19/20/675071920.db2.gz ABTPKFCGTQNXBD-PEDHHIEDSA-N -1 1 364.408 2.496 20 0 FEADMM CCn1ncn([N-]C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1=O ZINC000816736715 675076398 /nfs/dbraw/zinc/07/63/98/675076398.db2.gz JIPVHYJRFAIQPS-UHFFFAOYSA-N -1 1 371.344 2.386 20 0 FEADMM O=C(NCCCNc1ncccn1)c1cc(Br)ccc1[O-] ZINC000042757059 670168730 /nfs/dbraw/zinc/16/87/30/670168730.db2.gz JPGOJVSMZKSQSS-UHFFFAOYSA-N -1 1 351.204 2.177 20 0 FEADMM COc1ccc(NC(=O)c2scnc2Cl)cc1[N-]S(C)(=O)=O ZINC000053411390 670323516 /nfs/dbraw/zinc/32/35/16/670323516.db2.gz STCOUVDEHPSFAU-UHFFFAOYSA-N -1 1 361.832 2.429 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(Cc2ccccn2)C2CC2)c(=O)[n-]1 ZINC000054719830 670340547 /nfs/dbraw/zinc/34/05/47/670340547.db2.gz KVMFYIVWJNRDEJ-UHFFFAOYSA-N -1 1 358.467 2.319 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c1Cl ZINC000056056295 670357613 /nfs/dbraw/zinc/35/76/13/670357613.db2.gz WOAZCUOCOVKDLI-UHFFFAOYSA-N -1 1 352.803 2.207 20 0 FEADMM COc1ccnc(N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000817131537 675100759 /nfs/dbraw/zinc/10/07/59/675100759.db2.gz CRMZIWBIRKMRAM-LLVKDONJSA-N -1 1 352.316 2.227 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1C(N)=O ZINC000057119936 670366682 /nfs/dbraw/zinc/36/66/82/670366682.db2.gz PPKIVLSECSXJSQ-UHFFFAOYSA-N -1 1 358.375 2.001 20 0 FEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000060554616 670386944 /nfs/dbraw/zinc/38/69/44/670386944.db2.gz WSQIOPORCOFUFO-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(CC(C)C)no1 ZINC000062295891 670400023 /nfs/dbraw/zinc/40/00/23/670400023.db2.gz SPFGLAPMEOXTJY-UHFFFAOYSA-N -1 1 367.427 2.387 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(N)ccc2Cl)cc1 ZINC000063542875 670408013 /nfs/dbraw/zinc/40/80/13/670408013.db2.gz GALLURKLWOVBKM-UHFFFAOYSA-N -1 1 362.769 2.044 20 0 FEADMM CC(C)c1n[nH]c(C(=O)NCc2n[n-]c(=S)n2C)c1Br ZINC000066626367 670445023 /nfs/dbraw/zinc/44/50/23/670445023.db2.gz PLIGOPYJTFLYHU-UHFFFAOYSA-N -1 1 359.253 2.017 20 0 FEADMM CC(C)N(CCC(=O)NCc1n[n-]c(=S)n1C)C(=O)OC(C)(C)C ZINC000066625520 670445208 /nfs/dbraw/zinc/44/52/08/670445208.db2.gz RVKTZCCGZJBUPX-UHFFFAOYSA-N -1 1 357.480 2.129 20 0 FEADMM Cc1n[nH]c(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1Br ZINC000066639060 670445744 /nfs/dbraw/zinc/44/57/44/670445744.db2.gz BDTNLLOSSIVVIR-UHFFFAOYSA-N -1 1 359.253 2.246 20 0 FEADMM Cc1cccc(NC(=O)NCC(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067070436 670452381 /nfs/dbraw/zinc/45/23/81/670452381.db2.gz MZGABDWIHRCWKO-UHFFFAOYSA-N -1 1 360.443 2.022 20 0 FEADMM CCn1c(CCNC(=O)[C@H](c2ccccc2)n2cccn2)n[n-]c1=S ZINC000067077364 670452793 /nfs/dbraw/zinc/45/27/93/670452793.db2.gz WVBGHDMZZBHHMV-HNNXBMFYSA-N -1 1 356.455 2.105 20 0 FEADMM CCc1noc(CCCC(=O)NCCc2n[n-]c(=S)n2C(C)C)n1 ZINC000067075008 670452929 /nfs/dbraw/zinc/45/29/29/670452929.db2.gz QIQKVFGHMODESL-UHFFFAOYSA-N -1 1 352.464 2.149 20 0 FEADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068075440 670465687 /nfs/dbraw/zinc/46/56/87/670465687.db2.gz GFCGMNNVRMOXFM-UHFFFAOYSA-N -1 1 362.407 2.103 20 0 FEADMM O=C(Cc1csc(-c2cccnc2)n1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073974013 670511701 /nfs/dbraw/zinc/51/17/01/670511701.db2.gz QUUAFYDNFOTPSD-UHFFFAOYSA-N -1 1 352.379 2.186 20 0 FEADMM C/C=C/C[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OCC ZINC000569268237 670534924 /nfs/dbraw/zinc/53/49/24/670534924.db2.gz TVPJYLJYBYJBJH-CFNZNRNTSA-N -1 1 358.460 2.289 20 0 FEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)nn(COC)c1C)C(F)(F)F ZINC000569337332 670545595 /nfs/dbraw/zinc/54/55/95/670545595.db2.gz SZAZIMZCVNRFDU-QPUJVOFHSA-N -1 1 357.398 2.359 20 0 FEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1 ZINC000078622103 670589985 /nfs/dbraw/zinc/58/99/85/670589985.db2.gz TZSRILUOGJQDRV-GXFFZTMASA-N -1 1 362.503 2.338 20 0 FEADMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000078676693 670591370 /nfs/dbraw/zinc/59/13/70/670591370.db2.gz YGZGOQVWPCSUGH-UHFFFAOYSA-N -1 1 366.874 2.288 20 0 FEADMM CS(=O)(=O)CC1(CSc2nc(C(F)F)cc(=O)[n-]2)CCOCC1 ZINC000569744255 670606407 /nfs/dbraw/zinc/60/64/07/670606407.db2.gz BBGDAQFERACHPI-UHFFFAOYSA-N -1 1 368.427 2.053 20 0 FEADMM O=C([N-]OCC1CC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000817324553 675122001 /nfs/dbraw/zinc/12/20/01/675122001.db2.gz HGOBVMNCCCOXLF-NSHDSACASA-N -1 1 353.216 2.260 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000080725913 670628676 /nfs/dbraw/zinc/62/86/76/670628676.db2.gz YADAIBKQHGMHJQ-UHFFFAOYSA-N -1 1 351.428 2.311 20 0 FEADMM Cc1ccc(C(=O)N(C)C)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000080725913 670628680 /nfs/dbraw/zinc/62/86/80/670628680.db2.gz YADAIBKQHGMHJQ-UHFFFAOYSA-N -1 1 351.428 2.311 20 0 FEADMM COc1cccc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)n1 ZINC000084383896 670668011 /nfs/dbraw/zinc/66/80/11/670668011.db2.gz WRTOQWKQQZGDCV-UHFFFAOYSA-N -1 1 362.440 2.181 20 0 FEADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000570158871 670670212 /nfs/dbraw/zinc/67/02/12/670670212.db2.gz UVXLMDGTKLBXMF-COPLHBTASA-N -1 1 350.440 2.208 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)s1 ZINC000088359836 670691503 /nfs/dbraw/zinc/69/15/03/670691503.db2.gz XVCBKEHNZNOYKK-HOCLYGCPSA-N -1 1 357.410 2.378 20 0 FEADMM CNS(=O)(=O)c1cc(NCc2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000565567864 675132583 /nfs/dbraw/zinc/13/25/83/675132583.db2.gz VBIOPTWVFNXRDE-UHFFFAOYSA-N -1 1 358.423 2.098 20 0 FEADMM CCCCn1c(C)c(C)nc1S(=O)(=O)CCC[N-]C(=O)C(F)(F)F ZINC000091574608 670728766 /nfs/dbraw/zinc/72/87/66/670728766.db2.gz REAMGTQMRZEMJJ-UHFFFAOYSA-N -1 1 369.409 2.142 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(Cl)c1)C1CC1 ZINC000570570564 670733838 /nfs/dbraw/zinc/73/38/38/670733838.db2.gz VVQKIHKWDKMTFS-AWEZNQCLSA-N -1 1 360.863 2.209 20 0 FEADMM CCC[C@H](OC)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490428 675138675 /nfs/dbraw/zinc/13/86/75/675138675.db2.gz PWOIVOZYSDVSSX-JSGCOSHPSA-N -1 1 358.360 2.438 20 0 FEADMM O=C(C[C@H]1CCCO1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493226 675138830 /nfs/dbraw/zinc/13/88/30/675138830.db2.gz RNZOITGMRSZWEH-QWHCGFSZSA-N -1 1 356.344 2.192 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000571527807 670887317 /nfs/dbraw/zinc/88/73/17/670887317.db2.gz OYVVRAOXZTZDSE-CYBMUJFWSA-N -1 1 372.512 2.394 20 0 FEADMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1sccc1Br ZINC000116902952 670909388 /nfs/dbraw/zinc/90/93/88/670909388.db2.gz CEPZJOHMQOORTM-KRWDZBQOSA-N -1 1 374.347 2.336 20 0 FEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(O)c1F)c1ccccc1 ZINC000571904096 670938462 /nfs/dbraw/zinc/93/84/62/670938462.db2.gz FNEJZSLMBJEBHF-GFCCVEGCSA-N -1 1 353.371 2.230 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccncc1Cl)c1c(F)ccc([O-])c1F ZINC000572164516 670968967 /nfs/dbraw/zinc/96/89/67/670968967.db2.gz KZXURCXKCNZWBG-SECBINFHSA-N -1 1 356.756 2.300 20 0 FEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c1 ZINC000572305896 670984877 /nfs/dbraw/zinc/98/48/77/670984877.db2.gz DUQAAFQSXNSKIM-UHFFFAOYSA-N -1 1 362.285 2.321 20 0 FEADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc2c(cccc2F)o1 ZINC000573896744 671178364 /nfs/dbraw/zinc/17/83/64/671178364.db2.gz CNMDLVBEOJRSMT-NSHDSACASA-N -1 1 364.402 2.883 20 0 FEADMM Cn1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc(Cl)c1=O ZINC000575478061 671314180 /nfs/dbraw/zinc/31/41/80/671314180.db2.gz XQXZXUFNQNQURW-UHFFFAOYSA-N -1 1 367.736 2.253 20 0 FEADMM CC(C)CN1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000575827139 671323700 /nfs/dbraw/zinc/32/37/00/671323700.db2.gz KHJGEKKOFARZGF-UHFFFAOYSA-N -1 1 351.501 2.494 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2CCC[C@H](F)C2)ccc1[N-]S(C)(=O)=O ZINC000575985997 671336020 /nfs/dbraw/zinc/33/60/20/671336020.db2.gz JQYMFKAWCLGACQ-WDEREUQCSA-N -1 1 359.423 2.469 20 0 FEADMM Cn1cc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)n1 ZINC000576874678 671401099 /nfs/dbraw/zinc/40/10/99/671401099.db2.gz AKCIYDTYOMDAFV-UHFFFAOYSA-N -1 1 358.217 2.014 20 0 FEADMM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]c3cnc[nH]3)cc2c1C ZINC000576996191 671409822 /nfs/dbraw/zinc/40/98/22/671409822.db2.gz IAWXYMFNDWACLB-UHFFFAOYSA-N -1 1 366.424 2.305 20 0 FEADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1F ZINC000608788828 675903742 /nfs/dbraw/zinc/90/37/42/675903742.db2.gz HWZPBONLOLZPPE-QGZVFWFLSA-N -1 1 365.426 2.420 20 0 FEADMM CN1CCN(c2ncccc2CN=c2nc(C3CCCC3)[n-]s2)CC1 ZINC000577361356 671590658 /nfs/dbraw/zinc/59/06/58/671590658.db2.gz SVDOGJQVNSZHIZ-UHFFFAOYSA-N -1 1 358.515 2.377 20 0 FEADMM COCCOc1cc(C)ccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000577550718 671603899 /nfs/dbraw/zinc/60/38/99/671603899.db2.gz MEAKTQATSNXLIR-UHFFFAOYSA-N -1 1 371.377 2.341 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000609494634 675923482 /nfs/dbraw/zinc/92/34/82/675923482.db2.gz MJJMRRKFGKVJAR-HSZRJFAPSA-N -1 1 367.448 2.402 20 0 FEADMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000578604712 671676438 /nfs/dbraw/zinc/67/64/38/671676438.db2.gz LKFNKKLPUZGOPD-IUCAKERBSA-N -1 1 357.906 2.036 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2c(=O)[nH]cnc2C1 ZINC000579498305 671740730 /nfs/dbraw/zinc/74/07/30/671740730.db2.gz LGCOBIVYGXQJSX-UHFFFAOYSA-N -1 1 356.769 2.288 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000579851150 671765739 /nfs/dbraw/zinc/76/57/39/671765739.db2.gz JHULHUAWBNZZLH-GFCCVEGCSA-N -1 1 358.360 2.205 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(O)c(OC)c2)c(F)c1 ZINC000676845818 679644277 /nfs/dbraw/zinc/64/42/77/679644277.db2.gz ZZJSSVFNBATUPG-UHFFFAOYSA-N -1 1 373.377 2.209 20 0 FEADMM CCOC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c(F)cc1C ZINC000580551529 671817617 /nfs/dbraw/zinc/81/76/17/671817617.db2.gz QGCORXUTNMTEEH-OAHLLOKOSA-N -1 1 359.419 2.478 20 0 FEADMM O=C(NC[C@@]1(CCO)CCOC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000581619629 671918505 /nfs/dbraw/zinc/91/85/05/671918505.db2.gz DJVKPXPAQJGVBJ-QGZVFWFLSA-N -1 1 350.802 2.113 20 0 FEADMM CCn1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)nc1C ZINC000581644607 671921197 /nfs/dbraw/zinc/92/11/97/671921197.db2.gz BWQIIMNTARPPKD-OAHLLOKOSA-N -1 1 364.471 2.397 20 0 FEADMM COc1cc(NC(=O)NCCCCSC)ccc1[N-]S(C)(=O)=O ZINC000610142930 675957182 /nfs/dbraw/zinc/95/71/82/675957182.db2.gz NGRXPUUNOAUYFV-UHFFFAOYSA-N -1 1 361.489 2.331 20 0 FEADMM Nc1nc([O-])c(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000120876827 671937203 /nfs/dbraw/zinc/93/72/03/671937203.db2.gz WTTGQZNSFKSZJD-CVEARBPZSA-N -1 1 353.447 2.433 20 0 FEADMM CN(C)c1ccc(NC(=O)Cc2sc(N)nc2[O-])c(C(F)(F)F)c1 ZINC000120939247 671938925 /nfs/dbraw/zinc/93/89/25/671938925.db2.gz ZAPZVMYXKCHGRW-SNVBAGLBSA-N -1 1 360.361 2.057 20 0 FEADMM CSc1ccc(C)c(C(=O)OCCc2c(C)nc3[n-]cnn3c2=O)c1 ZINC000121595576 671953025 /nfs/dbraw/zinc/95/30/25/671953025.db2.gz VSZPFJNLWGSNNB-UHFFFAOYSA-N -1 1 358.423 2.156 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCN2CCCC(C)(C)C2)c1C ZINC000581981442 671955110 /nfs/dbraw/zinc/95/51/10/671955110.db2.gz MLUDDTHOAXKYRK-UHFFFAOYSA-N -1 1 368.499 2.402 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000121728677 671955896 /nfs/dbraw/zinc/95/58/96/671955896.db2.gz SLVGNVJPLLCHMM-GXTWGEPZSA-N -1 1 370.471 2.044 20 0 FEADMM Cc1ccn2c(c1)nnc2[N-]C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000121801271 671957639 /nfs/dbraw/zinc/95/76/39/671957639.db2.gz STJXMEAHHKUDMJ-UHFFFAOYSA-N -1 1 372.378 2.348 20 0 FEADMM O=C(CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)Nc1cccc(F)c1 ZINC000582400007 671998237 /nfs/dbraw/zinc/99/82/37/671998237.db2.gz IKDHNGFGRJEHMC-UHFFFAOYSA-N -1 1 360.370 2.023 20 0 FEADMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)Nc1cccc(F)c1 ZINC000582400007 671998238 /nfs/dbraw/zinc/99/82/38/671998238.db2.gz IKDHNGFGRJEHMC-UHFFFAOYSA-N -1 1 360.370 2.023 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C1(N2CCOCC2)CCCC1 ZINC000125456433 672012082 /nfs/dbraw/zinc/01/20/82/672012082.db2.gz BFPKFRDHRNTUCT-CYBMUJFWSA-N -1 1 374.453 2.277 20 0 FEADMM O=C1CCCN1CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000583088686 672062839 /nfs/dbraw/zinc/06/28/39/672062839.db2.gz RSJTUSBHVVUHOF-UHFFFAOYSA-N -1 1 355.218 2.033 20 0 FEADMM Cc1oc(C(=O)[N-]c2cc(C(F)(F)F)no2)cc1S(=O)(=O)N(C)C ZINC000133164229 672107129 /nfs/dbraw/zinc/10/71/29/672107129.db2.gz JRAMEUTYJWZASZ-UHFFFAOYSA-N -1 1 367.305 2.097 20 0 FEADMM CC(C)C[C@@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000134215265 672121216 /nfs/dbraw/zinc/12/12/16/672121216.db2.gz YSUBMSFGQHPMEX-SNVBAGLBSA-N -1 1 363.195 2.134 20 0 FEADMM COc1cc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc(Cl)c1[O-] ZINC000583858950 672132305 /nfs/dbraw/zinc/13/23/05/672132305.db2.gz ILLJPDQHRPJURG-UHFFFAOYSA-N -1 1 373.858 2.238 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc(Cl)c(F)c1 ZINC000583962487 672142518 /nfs/dbraw/zinc/14/25/18/672142518.db2.gz URFJBYKIZSSNJU-LBPRGKRZSA-N -1 1 367.826 2.038 20 0 FEADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000583972645 672143504 /nfs/dbraw/zinc/14/35/04/672143504.db2.gz RXYTXVHFWBRODF-KCJUWKMLSA-N -1 1 354.313 2.206 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2n(n1)CCCC2 ZINC000583978686 672144255 /nfs/dbraw/zinc/14/42/55/672144255.db2.gz JIAHIIGTEJCEGO-UHFFFAOYSA-N -1 1 363.443 2.018 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1 ZINC000145199231 672149732 /nfs/dbraw/zinc/14/97/32/672149732.db2.gz JBMCXVKVIBTMIV-UHFFFAOYSA-N -1 1 361.423 2.429 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c1Cl ZINC000151594467 672165924 /nfs/dbraw/zinc/16/59/24/672165924.db2.gz IMYPFAFYKWSZCE-UHFFFAOYSA-N -1 1 355.847 2.341 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)o1 ZINC000610711792 675991263 /nfs/dbraw/zinc/99/12/63/675991263.db2.gz ITSPVORSQOKUAV-JTQLQIEISA-N -1 1 357.771 2.132 20 0 FEADMM Cc1ccc2ncc(C(=O)Nc3ccc4nc([S-])[nH]c4c3)c(=O)n2c1 ZINC000163406987 672309175 /nfs/dbraw/zinc/30/91/75/672309175.db2.gz ROYKYRIBMXZMPY-UHFFFAOYSA-N -1 1 351.391 2.420 20 0 FEADMM COC(=O)N1CC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000178152148 672389320 /nfs/dbraw/zinc/38/93/20/672389320.db2.gz SAVSDELPWRDCST-UHFFFAOYSA-N -1 1 373.645 2.376 20 0 FEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Sc3ccccc3Cl)nc2n1 ZINC000588006774 672444771 /nfs/dbraw/zinc/44/47/71/672444771.db2.gz VCRRJHCHAAJAJM-SECBINFHSA-N -1 1 363.830 2.499 20 0 FEADMM Cc1nn2cc(S(=O)(=O)[N-]c3ccc4nccn4c3)cnc2c1Cl ZINC000678921075 672454029 /nfs/dbraw/zinc/45/40/29/672454029.db2.gz AYFANYMQGAVBOZ-UHFFFAOYSA-N -1 1 362.802 2.140 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2nc3ccccc3n2C)c(F)c1 ZINC000588673260 672470184 /nfs/dbraw/zinc/47/01/84/672470184.db2.gz RTAPIAHXONKYFK-UHFFFAOYSA-N -1 1 367.377 2.339 20 0 FEADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c(OC)c1 ZINC000588682181 672471586 /nfs/dbraw/zinc/47/15/86/672471586.db2.gz ORIKVRRBNCDIRH-UHFFFAOYSA-N -1 1 373.377 2.469 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)CSc3ccccc3C)nc2n1 ZINC000588744216 672476423 /nfs/dbraw/zinc/47/64/23/672476423.db2.gz IQYWKAWDFFNQRA-UHFFFAOYSA-N -1 1 357.439 2.409 20 0 FEADMM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000588927745 672494300 /nfs/dbraw/zinc/49/43/00/672494300.db2.gz XLHKZCLMSGRPDZ-LLVKDONJSA-N -1 1 366.443 2.046 20 0 FEADMM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000588927745 672494304 /nfs/dbraw/zinc/49/43/04/672494304.db2.gz XLHKZCLMSGRPDZ-LLVKDONJSA-N -1 1 366.443 2.046 20 0 FEADMM COc1cc(C)[n-]c(=NNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)n1 ZINC000184356388 672498132 /nfs/dbraw/zinc/49/81/32/672498132.db2.gz DFIPPYHPSSBGHE-NXEZZACHSA-N -1 1 352.316 2.458 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000589430297 672525091 /nfs/dbraw/zinc/52/50/91/672525091.db2.gz UAOCHJDEMXFYEM-LLVKDONJSA-N -1 1 362.407 2.353 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000589434685 672525372 /nfs/dbraw/zinc/52/53/72/672525372.db2.gz MVYAWNCZGONNCW-UHFFFAOYSA-N -1 1 355.437 2.041 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccnc(SC)c2)c1 ZINC000589587601 672532950 /nfs/dbraw/zinc/53/29/50/672532950.db2.gz IFRRQFRJNSTSBY-UHFFFAOYSA-N -1 1 352.437 2.320 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(F)ccc2Br)n[nH]1 ZINC000186554059 672549924 /nfs/dbraw/zinc/54/99/24/672549924.db2.gz PLDHBODTOZMVKG-UHFFFAOYSA-N -1 1 356.155 2.086 20 0 FEADMM O=C([N-]OC[C@H]1CCOC1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000187885022 672579002 /nfs/dbraw/zinc/57/90/02/672579002.db2.gz QPVPOFUKQXAGIZ-QWRGUYRKSA-N -1 1 373.236 2.431 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@]12CCCO2 ZINC000680538846 672585384 /nfs/dbraw/zinc/58/53/84/672585384.db2.gz QSESCJRISWOIDD-RRFJBIMHSA-N -1 1 365.373 2.109 20 0 FEADMM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc(Cl)ccc1[O-] ZINC000188364196 672589474 /nfs/dbraw/zinc/58/94/74/672589474.db2.gz QNBLXYVUNXQSAL-UHFFFAOYSA-N -1 1 356.769 2.303 20 0 FEADMM COC(=O)Cc1cccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1 ZINC000188423985 672589935 /nfs/dbraw/zinc/58/99/35/672589935.db2.gz WDGBFOHMLTZADH-UHFFFAOYSA-N -1 1 364.760 2.269 20 0 FEADMM CCOC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(OC)cn2)cc1 ZINC000590739492 672607206 /nfs/dbraw/zinc/60/72/06/672607206.db2.gz KPNBTCRIEFPCBO-UHFFFAOYSA-N -1 1 350.396 2.209 20 0 FEADMM O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1ncccc1[O-] ZINC000189086831 672607339 /nfs/dbraw/zinc/60/73/39/672607339.db2.gz SEESZJKBYHOEIP-UHFFFAOYSA-N -1 1 353.132 2.215 20 0 FEADMM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000189160606 672609542 /nfs/dbraw/zinc/60/95/42/672609542.db2.gz MQJQAZNDGRBVKN-VIFPVBQESA-N -1 1 355.347 2.177 20 0 FEADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000189977596 672628384 /nfs/dbraw/zinc/62/83/84/672628384.db2.gz 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ZINC000592074546 672748391 /nfs/dbraw/zinc/74/83/91/672748391.db2.gz DMGMXMYOPGZEIW-LBPRGKRZSA-N -1 1 360.476 2.369 20 0 FEADMM CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000237115723 672807038 /nfs/dbraw/zinc/80/70/38/672807038.db2.gz ZAZCWHCEYZSXMT-UHFFFAOYSA-N -1 1 358.435 2.019 20 0 FEADMM COc1ccc(NC(=O)c2nc(C)c(C)s2)cc1[N-]S(C)(=O)=O ZINC000683533781 672853649 /nfs/dbraw/zinc/85/36/49/672853649.db2.gz DVMCTIREERJEJG-UHFFFAOYSA-N -1 1 355.441 2.392 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000612138491 676070696 /nfs/dbraw/zinc/07/06/96/676070696.db2.gz VYCRYSBBUSGEBS-UHFFFAOYSA-N -1 1 354.400 2.176 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(c2ccccc2C)CCC1 ZINC000593615576 672958979 /nfs/dbraw/zinc/95/89/79/672958979.db2.gz BJDMJSNLWFPYIN-UHFFFAOYSA-N -1 1 363.439 2.253 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCc1cccc(Br)c1 ZINC000685496834 673014412 /nfs/dbraw/zinc/01/44/12/673014412.db2.gz LQUYXCOPKXYRTA-UHFFFAOYSA-N -1 1 374.260 2.239 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2c([O-])cccc2F)c1 ZINC000685742834 673040273 /nfs/dbraw/zinc/04/02/73/673040273.db2.gz CNWTVQSKLFGDHL-UHFFFAOYSA-N -1 1 352.387 2.065 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1C(=O)[O-] ZINC000325234337 673049072 /nfs/dbraw/zinc/04/90/72/673049072.db2.gz BXUFTZYYWQULKQ-UHFFFAOYSA-N -1 1 363.317 2.421 20 0 FEADMM CCc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCCC2)cc1C(=O)[O-] ZINC000325892315 673051131 /nfs/dbraw/zinc/05/11/31/673051131.db2.gz SVQOILVRZZGKRX-ZDUSSCGKSA-N -1 1 354.472 2.100 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c1F ZINC000594464171 673076956 /nfs/dbraw/zinc/07/69/56/673076956.db2.gz ZEECFEJNOOUSKF-SECBINFHSA-N -1 1 367.851 2.440 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(SC)CC2)c1F ZINC000594469329 673078808 /nfs/dbraw/zinc/07/88/08/673078808.db2.gz XDSHSWAYAPUGSB-UHFFFAOYSA-N -1 1 367.851 2.440 20 0 FEADMM CCn1cc(NC(=S)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cn1 ZINC000726124515 673106728 /nfs/dbraw/zinc/10/67/28/673106728.db2.gz KDADAAILCSDROA-UHFFFAOYSA-N -1 1 369.472 2.092 20 0 FEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C)C(F)(F)F ZINC000594702464 673119953 /nfs/dbraw/zinc/11/99/53/673119953.db2.gz YNYIFLUMOZWQIS-LLVKDONJSA-N -1 1 357.325 2.297 20 0 FEADMM COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000594729464 673125121 /nfs/dbraw/zinc/12/51/21/673125121.db2.gz KDAINJVMTXUXBW-UHFFFAOYSA-N -1 1 373.381 2.395 20 0 FEADMM CC(C)c1nnc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC000727000386 673150209 /nfs/dbraw/zinc/15/02/09/673150209.db2.gz YPDOCMDYZULTLO-UHFFFAOYSA-N -1 1 371.415 2.220 20 0 FEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)s1 ZINC000594856870 673166410 /nfs/dbraw/zinc/16/64/10/673166410.db2.gz JUCZPNXPZWLURI-GFCCVEGCSA-N -1 1 369.411 2.257 20 0 FEADMM CC(C)(C)OC(=O)CN1CC[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1=O ZINC000594894232 673176480 /nfs/dbraw/zinc/17/64/80/673176480.db2.gz IRNWEXBTWGUETG-LBPRGKRZSA-N -1 1 365.455 2.094 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)cc1C ZINC000595108430 673194334 /nfs/dbraw/zinc/19/43/34/673194334.db2.gz PPUNUAXKERNXGD-CQSZACIVSA-N -1 1 364.423 2.313 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)co1 ZINC000427632256 673210929 /nfs/dbraw/zinc/21/09/29/673210929.db2.gz CQTBVGXOWVYGJU-UHFFFAOYSA-N -1 1 360.435 2.417 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)cc1C ZINC000595307540 673220073 /nfs/dbraw/zinc/22/00/73/673220073.db2.gz ZNJLGOXGBOPIFD-CHWSQXEVSA-N -1 1 353.371 2.348 20 0 FEADMM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)OC ZINC000595320750 673223674 /nfs/dbraw/zinc/22/36/74/673223674.db2.gz HKSBIXKCLVQKRR-CYBMUJFWSA-N -1 1 361.460 2.494 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cc(C)cc(OC)c2)cc1C ZINC000595322190 673223946 /nfs/dbraw/zinc/22/39/46/673223946.db2.gz NEVZWHNEUBQZIU-UHFFFAOYSA-N -1 1 353.396 2.170 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)cc1C ZINC000595331727 673226209 /nfs/dbraw/zinc/22/62/09/673226209.db2.gz BXVHWPWNMSNFMB-HZMBPMFUSA-N -1 1 351.380 2.175 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)cc1C ZINC000595341185 673227946 /nfs/dbraw/zinc/22/79/46/673227946.db2.gz UVHZRLBNIRXPOC-QMMMGPOBSA-N -1 1 360.338 2.087 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(C(F)(F)F)CCCCC2)c1 ZINC000613206170 676117272 /nfs/dbraw/zinc/11/72/72/676117272.db2.gz JEHAMMJFCXILMU-UHFFFAOYSA-N -1 1 366.361 2.491 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)c2cccc(Cl)c2)o1 ZINC000462669048 673273238 /nfs/dbraw/zinc/27/32/38/673273238.db2.gz QCWFCXFNVQHOHV-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)o1 ZINC000462681751 673274422 /nfs/dbraw/zinc/27/44/22/673274422.db2.gz BZPHTSNUCYNKKQ-ZJUUUORDSA-N -1 1 350.234 2.278 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cccc(N)c2)no1 ZINC000731800803 673343824 /nfs/dbraw/zinc/34/38/24/673343824.db2.gz JACWHPDMFILETI-VIFPVBQESA-N -1 1 350.425 2.420 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1c(Cl)cccc1Br)c1nn[n-]n1 ZINC000613474329 676130421 /nfs/dbraw/zinc/13/04/21/676130421.db2.gz HAUZJLNBJVGGOR-QMMMGPOBSA-N -1 1 372.654 2.420 20 0 FEADMM CCCN(Cc1cn(CC(=O)[O-])nn1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000514791384 673347474 /nfs/dbraw/zinc/34/74/74/673347474.db2.gz QBDOOWXALGOARF-JKSUJKDBSA-N -1 1 350.463 2.313 20 0 FEADMM COc1ccc2c(c1)[n-]cc(C(=O)NCc1cn3ccsc3n1)c2=O ZINC000613488848 676131255 /nfs/dbraw/zinc/13/12/55/676131255.db2.gz GKWNRCKJGMMCJK-UHFFFAOYSA-N -1 1 354.391 2.176 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)cc1C(=O)[O-] ZINC000533144402 673354283 /nfs/dbraw/zinc/35/42/83/673354283.db2.gz MOMMADULERFADJ-UHFFFAOYSA-N -1 1 360.338 2.294 20 0 FEADMM CNC(=O)COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000732306728 673362666 /nfs/dbraw/zinc/36/26/66/673362666.db2.gz QKAAABMRCJSCOY-UHFFFAOYSA-N -1 1 364.785 2.431 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)o1 ZINC000537436966 673389700 /nfs/dbraw/zinc/38/97/00/673389700.db2.gz SODMAHLMONESMZ-CHWSQXEVSA-N -1 1 359.444 2.328 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Oc2cccc(NC(=O)C(C)C)c2)o1 ZINC000733174731 673401923 /nfs/dbraw/zinc/40/19/23/673401923.db2.gz YEOYLZSQRKEUOH-UHFFFAOYSA-N -1 1 366.395 2.001 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCOCC(F)(F)F ZINC000733469855 673419710 /nfs/dbraw/zinc/41/97/10/673419710.db2.gz DBKCYYMKQUEBTP-UHFFFAOYSA-N -1 1 355.334 2.184 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1CC(=O)[O-] ZINC000538138358 673423780 /nfs/dbraw/zinc/42/37/80/673423780.db2.gz SOZXOZJXJNUCEC-UHFFFAOYSA-N -1 1 371.798 2.482 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000538137259 673423956 /nfs/dbraw/zinc/42/39/56/673423956.db2.gz CFGCLCNJRUEQSD-UHFFFAOYSA-N -1 1 369.464 2.427 20 0 FEADMM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)c1 ZINC000538282402 673430808 /nfs/dbraw/zinc/43/08/08/673430808.db2.gz DZTVLBLMXHFGMV-KBPBESRZSA-N -1 1 365.407 2.299 20 0 FEADMM Cn1ncc2c1nc(Sc1nnc3sc4ccccc4n13)[n-]c2=O ZINC000538895855 673465408 /nfs/dbraw/zinc/46/54/08/673465408.db2.gz MYFZAOVPYONTQZ-UHFFFAOYSA-N -1 1 355.408 2.478 20 0 FEADMM C[C@]1(Br)C[C@H]1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000861771785 683470381 /nfs/dbraw/zinc/47/03/81/683470381.db2.gz KXSKXMBNKNVMHP-AUTRQRHGSA-N -1 1 371.197 2.077 20 0 FEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000539856626 673510279 /nfs/dbraw/zinc/51/02/79/673510279.db2.gz XVEOZDZMEFYTID-UHFFFAOYSA-N -1 1 361.379 2.379 20 0 FEADMM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)OC)co2)c1 ZINC000540484011 673542205 /nfs/dbraw/zinc/54/22/05/673542205.db2.gz SXICKKLPOPCQQH-GJZGRUSLSA-N -1 1 365.407 2.299 20 0 FEADMM O=C(c1csc(-c2ccc(O)cc2)n1)N1CCC(c2nn[n-]n2)CC1 ZINC000738284800 673615197 /nfs/dbraw/zinc/61/51/97/673615197.db2.gz YIUIIBREFQTPOM-UHFFFAOYSA-N -1 1 356.411 2.049 20 0 FEADMM CCSCc1ccccc1C(=O)Nc1nc2nc(CC)cc(=O)n2[n-]1 ZINC000598893525 673619424 /nfs/dbraw/zinc/61/94/24/673619424.db2.gz VOICWDPEROEZQA-UHFFFAOYSA-N -1 1 357.439 2.485 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(C(F)F)o2)s1 ZINC000599133828 673635507 /nfs/dbraw/zinc/63/55/07/673635507.db2.gz ZSAGGFQHLOUFHZ-UHFFFAOYSA-N -1 1 363.367 2.976 20 0 FEADMM CCOC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)C(C)C ZINC000599287772 673653798 /nfs/dbraw/zinc/65/37/98/673653798.db2.gz GFRWAPGSRXCDNS-LBPRGKRZSA-N -1 1 365.398 2.091 20 0 FEADMM CCSc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)c1 ZINC000599311995 673656842 /nfs/dbraw/zinc/65/68/42/673656842.db2.gz PQJPUTXYOIBEBO-UHFFFAOYSA-N -1 1 356.425 2.052 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)c1F ZINC000599337048 673660595 /nfs/dbraw/zinc/66/05/95/673660595.db2.gz RAEBFYTWPSYIPW-JTQLQIEISA-N -1 1 370.377 2.056 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)CC1(C)OCCO1 ZINC000741158083 673673482 /nfs/dbraw/zinc/67/34/82/673673482.db2.gz BQEJHYKNZLHYFF-SECBINFHSA-N -1 1 353.362 2.171 20 0 FEADMM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cn(C)nn3)nc(=O)c2c1C ZINC000741473060 673687928 /nfs/dbraw/zinc/68/79/28/673687928.db2.gz ZBCZULMTMLNYRP-YWEYNIOJSA-N -1 1 365.802 2.357 20 0 FEADMM COc1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cc(Cl)c1[O-] ZINC000545178581 673749345 /nfs/dbraw/zinc/74/93/45/673749345.db2.gz MSKLNQUCTRRPNH-UHFFFAOYSA-N -1 1 361.829 2.407 20 0 FEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc([C@@H](C)Oc2ccccc2)no1 ZINC000545724573 673775259 /nfs/dbraw/zinc/77/52/59/673775259.db2.gz QTSGOBGUXRIUJL-CYBMUJFWSA-N -1 1 369.443 2.054 20 0 FEADMM CSCc1noc(CCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC000600675594 673790648 /nfs/dbraw/zinc/79/06/48/673790648.db2.gz QRUHMTUEQUQNAR-UHFFFAOYSA-N -1 1 359.411 2.395 20 0 FEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC=C(c2ccccc2Cl)CC1 ZINC000546124687 673792713 /nfs/dbraw/zinc/79/27/13/673792713.db2.gz HQUWCFLCSZYPPL-UHFFFAOYSA-N -1 1 355.785 2.001 20 0 FEADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000600701731 673792915 /nfs/dbraw/zinc/79/29/15/673792915.db2.gz MWTJLYOYXGASHN-XDTLVQLUSA-N -1 1 350.415 2.032 20 0 FEADMM CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000546132882 673793375 /nfs/dbraw/zinc/79/33/75/673793375.db2.gz OOOVTNFDCSMWBO-UHFFFAOYSA-N -1 1 352.387 2.011 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCn2ccnc2C(C)C)c(=O)[n-]1 ZINC000744396759 673795410 /nfs/dbraw/zinc/79/54/10/673795410.db2.gz SZXOEHPZAFSZGR-UHFFFAOYSA-N -1 1 363.487 2.281 20 0 FEADMM CCN(CCO)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546222179 673797481 /nfs/dbraw/zinc/79/74/81/673797481.db2.gz CCDBUYLJGAIRRV-UHFFFAOYSA-N -1 1 363.439 2.334 20 0 FEADMM CC1=CCN(CC[N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000546576440 673803638 /nfs/dbraw/zinc/80/36/38/673803638.db2.gz YCABLFZXWOWTLW-UHFFFAOYSA-N -1 1 365.318 2.441 20 0 FEADMM Cc1ccncc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000546629318 673807856 /nfs/dbraw/zinc/80/78/56/673807856.db2.gz DZSZUTMVXIHGBQ-UHFFFAOYSA-N -1 1 351.428 2.336 20 0 FEADMM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2noc3ccccc32)s1 ZINC000546882265 673825016 /nfs/dbraw/zinc/82/50/16/673825016.db2.gz ZAAOBTFKRXRFOT-UHFFFAOYSA-N -1 1 352.441 2.422 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC1(F)F)c1ccc(F)c(C)c1 ZINC000601394708 673854807 /nfs/dbraw/zinc/85/48/07/673854807.db2.gz WQXQWTNTWGJDJX-AAEUAGOBSA-N -1 1 365.373 2.313 20 0 FEADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)C2CCC(C)CC2)(C(=O)OC)C1(C)C ZINC000601399420 673855591 /nfs/dbraw/zinc/85/55/91/673855591.db2.gz LNGKBSTZFZHJHD-YJJGSOMYSA-N -1 1 361.504 2.231 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)c1 ZINC000745978987 673859883 /nfs/dbraw/zinc/85/98/83/673859883.db2.gz XCJYRRIIWXHFAF-UHFFFAOYSA-N -1 1 362.407 2.257 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2sc3ccccc3c2Cl)[n-]1 ZINC000747342017 673922883 /nfs/dbraw/zinc/92/28/83/673922883.db2.gz JRJURIPWSOUVQD-UHFFFAOYSA-N -1 1 356.816 2.329 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2sc3ccccc3c2Cl)n[n-]1 ZINC000747342017 673922887 /nfs/dbraw/zinc/92/28/87/673922887.db2.gz JRJURIPWSOUVQD-UHFFFAOYSA-N -1 1 356.816 2.329 20 0 FEADMM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548336873 673951389 /nfs/dbraw/zinc/95/13/89/673951389.db2.gz KVWMPCUXCZBRIM-BBRMVZONSA-N -1 1 361.423 2.458 20 0 FEADMM COc1ccc(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)cc1[N-]S(C)(=O)=O ZINC000548354864 673952589 /nfs/dbraw/zinc/95/25/89/673952589.db2.gz WBFHCVJGCRRWOX-QWHCGFSZSA-N -1 1 368.455 2.257 20 0 FEADMM CCCc1nc(=NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)s[n-]1 ZINC000566707704 675236577 /nfs/dbraw/zinc/23/65/77/675236577.db2.gz VZLVULVQWITVAC-CYBMUJFWSA-N -1 1 359.499 2.481 20 0 FEADMM O=C(Cc1csc(-c2ccccc2)n1)NC1(c2nn[n-]n2)CCCC1 ZINC000567241132 675278125 /nfs/dbraw/zinc/27/81/25/675278125.db2.gz OMYZROALQZCNAQ-UHFFFAOYSA-N -1 1 354.439 2.451 20 0 FEADMM O=C([O-])c1coc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000567275342 675280669 /nfs/dbraw/zinc/28/06/69/675280669.db2.gz GFQJTMDMHHBLSX-GFCCVEGCSA-N -1 1 355.316 3.078 20 0 FEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1 ZINC000567410233 675291181 /nfs/dbraw/zinc/29/11/81/675291181.db2.gz GJSYRLXVSSUGHY-UHFFFAOYSA-N -1 1 359.407 2.090 20 0 FEADMM C[C@@H](CN(C)C(=O)[C@]1(Cc2cccc(Cl)c2)CCOC1)c1nn[n-]n1 ZINC000568198394 675357827 /nfs/dbraw/zinc/35/78/27/675357827.db2.gz KKHXHNJHNPWERQ-SJCJKPOMSA-N -1 1 363.849 2.064 20 0 FEADMM O=C(NCCn1cccn1)c1c([O-])cnc2c(Br)cccc21 ZINC000568332528 675366500 /nfs/dbraw/zinc/36/65/00/675366500.db2.gz CBDXGXSRCIBXQX-UHFFFAOYSA-N -1 1 361.199 2.329 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000820638291 675375751 /nfs/dbraw/zinc/37/57/51/675375751.db2.gz AWHKQGATWOJUDH-YDBLSZJJSA-N -1 1 371.455 2.259 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)ccc1C ZINC000568614845 675386376 /nfs/dbraw/zinc/38/63/76/675386376.db2.gz FIDVVZYABPRJER-UHFFFAOYSA-N -1 1 362.411 2.245 20 0 FEADMM COc1ccc(NC(=O)N[C@@H]2CCC[C@@H](F)C2)cc1[N-]S(C)(=O)=O ZINC000568860817 675406032 /nfs/dbraw/zinc/40/60/32/675406032.db2.gz JMIFOCRQOHTDOU-GHMZBOCLSA-N -1 1 359.423 2.469 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1F)NCc1ccccc1 ZINC000569024199 675418293 /nfs/dbraw/zinc/41/82/93/675418293.db2.gz GCNBEABCSNJYAO-UHFFFAOYSA-N -1 1 370.833 2.464 20 0 FEADMM Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(C)cn1 ZINC000822281073 675475646 /nfs/dbraw/zinc/47/56/46/675475646.db2.gz HMRZVSKDMNCDCV-RNCFNFMXSA-N -1 1 358.364 2.041 20 0 FEADMM O=C([N-]Cc1nc([C@@H]2CCCO2)n[nH]1)C(F)(F)c1cc(F)cc(F)c1 ZINC000824290543 675593560 /nfs/dbraw/zinc/59/35/60/675593560.db2.gz NPNOOEFSMGSERS-NSHDSACASA-N -1 1 358.295 2.343 20 0 FEADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CCO1 ZINC000824346225 675596705 /nfs/dbraw/zinc/59/67/05/675596705.db2.gz SEHUEDFHWHCYHK-SYQHCUMBSA-N -1 1 364.408 2.496 20 0 FEADMM CSc1nc(CNC(=O)Cc2cccc(C(F)(F)F)n2)cc(=O)[n-]1 ZINC000824602509 675612943 /nfs/dbraw/zinc/61/29/43/675612943.db2.gz CPDZBHMPVVQEJE-UHFFFAOYSA-N -1 1 358.345 2.177 20 0 FEADMM CCC(CC)(CC)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825089431 675636503 /nfs/dbraw/zinc/63/65/03/675636503.db2.gz FPWXPIYDILKJDY-UHFFFAOYSA-N -1 1 350.448 2.388 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCc3c2cccc3Cl)c1-c1nnn[n-]1 ZINC000826346912 675686572 /nfs/dbraw/zinc/68/65/72/675686572.db2.gz YSTQKTUQUAUFIZ-GFCCVEGCSA-N -1 1 358.789 2.163 20 0 FEADMM Cc1onc(CC(=O)N[C@@H]2CCc3c2cccc3Cl)c1-c1nn[n-]n1 ZINC000826346912 675686574 /nfs/dbraw/zinc/68/65/74/675686574.db2.gz YSTQKTUQUAUFIZ-GFCCVEGCSA-N -1 1 358.789 2.163 20 0 FEADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000828011604 675792077 /nfs/dbraw/zinc/79/20/77/675792077.db2.gz MXCUGKMYDBIVOS-CABCVRRESA-N -1 1 357.472 2.271 20 0 FEADMM Cc1oc(-c2ccsc2)nc1CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381346 675812451 /nfs/dbraw/zinc/81/24/51/675812451.db2.gz HSKZWNJTEZITPZ-UHFFFAOYSA-N -1 1 358.427 2.353 20 0 FEADMM O=C(COc1ccc(C(F)(F)F)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000605382036 675812458 /nfs/dbraw/zinc/81/24/58/675812458.db2.gz SRZCQFMJYHIAPA-UHFFFAOYSA-N -1 1 355.320 2.183 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)s1 ZINC000606752949 675840755 /nfs/dbraw/zinc/84/07/55/675840755.db2.gz QLQHVIPPMMHVBT-UHFFFAOYSA-N -1 1 365.440 2.167 20 0 FEADMM O=C(CSc1nnc(C2CC2)[nH]1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000828965543 675855898 /nfs/dbraw/zinc/85/58/98/675855898.db2.gz QTFPYLMRBMJSGW-UHFFFAOYSA-N -1 1 362.377 2.335 20 0 FEADMM O=C(CSc1n[nH]c(C2CC2)n1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000828965543 675855902 /nfs/dbraw/zinc/85/59/02/675855902.db2.gz QTFPYLMRBMJSGW-UHFFFAOYSA-N -1 1 362.377 2.335 20 0 FEADMM O=C1COc2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc2N1 ZINC000607611194 675870758 /nfs/dbraw/zinc/87/07/58/675870758.db2.gz MWPDZWIIYFCSKJ-UHFFFAOYSA-N -1 1 358.297 2.236 20 0 FEADMM CCCCC[C@@H](O)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000829468366 675880005 /nfs/dbraw/zinc/88/00/05/675880005.db2.gz BYXXSKOUDOHXBW-CHWSQXEVSA-N -1 1 355.801 2.139 20 0 FEADMM 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COc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000677147210 679656354 /nfs/dbraw/zinc/65/63/54/679656354.db2.gz BPFXJGLDANVTMX-COLVAYQJSA-N -1 1 359.394 2.209 20 0 FEADMM O=C(/C=C\c1ccc2[nH]ccc2c1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831111820 679925554 /nfs/dbraw/zinc/92/55/54/679925554.db2.gz FKZLPBZNWKPISG-RQOWECAXSA-N -1 1 351.328 2.318 20 0 FEADMM CCOc1cccc(/C=C\C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831116900 679926863 /nfs/dbraw/zinc/92/68/63/679926863.db2.gz GWHFFCMTPYERDQ-SREVYHEPSA-N -1 1 356.344 2.235 20 0 FEADMM Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831154375 679936139 /nfs/dbraw/zinc/93/61/39/679936139.db2.gz OAVKONWIZXMQKT-UHFFFAOYSA-N -1 1 360.380 2.005 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c1Cl ZINC000749185101 680027778 /nfs/dbraw/zinc/02/77/78/680027778.db2.gz SWKHQPBSPNFFFZ-UHFFFAOYSA-N -1 1 356.810 2.215 20 0 FEADMM C[C@H](CN(C)C(=O)C(F)(F)c1ccc(Br)cc1)c1nn[n-]n1 ZINC000832126628 680098781 /nfs/dbraw/zinc/09/87/81/680098781.db2.gz PEEJJHKVXSUXFV-MRVPVSSYSA-N -1 1 374.189 2.316 20 0 FEADMM COC(=O)c1ccc([C@H](C)OC(=O)c2sccc2[N-]S(C)(=O)=O)o1 ZINC000750333504 680110998 /nfs/dbraw/zinc/11/09/98/680110998.db2.gz KYAQWHOUOSVWKD-QMMMGPOBSA-N -1 1 373.408 2.417 20 0 FEADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000751118354 680154907 /nfs/dbraw/zinc/15/49/07/680154907.db2.gz ZVSDKZSPZVFFRG-UHFFFAOYSA-N -1 1 369.418 2.248 20 0 FEADMM CCC[C@@H](O)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000832662178 680161271 /nfs/dbraw/zinc/16/12/71/680161271.db2.gz POOVXDZPNZVDMP-SNVBAGLBSA-N -1 1 363.195 2.278 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CC1(Cl)Cl ZINC000751320590 680168034 /nfs/dbraw/zinc/16/80/34/680168034.db2.gz PUHXPOMDOXITCK-SNVBAGLBSA-N -1 1 357.241 2.294 20 0 FEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)c1occc1Cl ZINC000981209311 680221261 /nfs/dbraw/zinc/22/12/61/680221261.db2.gz VLPJYSCELZZLRG-WDEREUQCSA-N -1 1 363.801 2.362 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000752263043 680233048 /nfs/dbraw/zinc/23/30/48/680233048.db2.gz YYMFWPLWZKNSED-OUJBWJOFSA-N -1 1 355.847 2.305 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCC(=O)N(C)CC2CC2)c1 ZINC000834668846 680254909 /nfs/dbraw/zinc/25/49/09/680254909.db2.gz OVAJBZGSTGLILI-UHFFFAOYSA-N -1 1 357.376 2.454 20 0 FEADMM Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)cs1 ZINC000996143798 680320755 /nfs/dbraw/zinc/32/07/55/680320755.db2.gz HHJFPWXFFIMYRC-RDBSUJKOSA-N -1 1 357.435 2.333 20 0 FEADMM COc1cc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc(Cl)c1[O-] ZINC000912215274 685332343 /nfs/dbraw/zinc/33/23/43/685332343.db2.gz NMCPWJYMZKDIAZ-XJKSGUPXSA-N -1 1 369.845 2.494 20 0 FEADMM CCOC(=O)Nc1ccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000755535385 680420248 /nfs/dbraw/zinc/42/02/48/680420248.db2.gz JLRMNBFAKYMZIC-UHFFFAOYSA-N -1 1 367.383 2.008 20 0 FEADMM CC[C@@H]1[C@@H](NC(=O)c2occc2Cl)CCN1C(=O)c1ncccc1[O-] ZINC000985410955 680444739 /nfs/dbraw/zinc/44/47/39/680444739.db2.gz BNJJCPYMKKUTQY-NWDGAFQWSA-N -1 1 363.801 2.457 20 0 FEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1F)c1ncccc1[O-] ZINC001002188355 680488597 /nfs/dbraw/zinc/48/85/97/680488597.db2.gz JGWPGIDNTQSRFF-JLLWLGSASA-N -1 1 361.398 2.163 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CCCOCC2)c1 ZINC000836743056 680506159 /nfs/dbraw/zinc/50/61/59/680506159.db2.gz PTRWIZPKWHOCHX-UHFFFAOYSA-N -1 1 359.348 2.428 20 0 FEADMM O=C([N-][C@]12CCC[C@H]1CN(C(=O)c1ncoc1C(F)(F)F)C2)C(F)F ZINC001006832529 680614551 /nfs/dbraw/zinc/61/45/51/680614551.db2.gz AXDWUOWTDTVTGK-CPFSXVBKSA-N -1 1 367.274 2.069 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)c(F)c1 ZINC000760320926 680682834 /nfs/dbraw/zinc/68/28/34/680682834.db2.gz FNTOTIYNGTXGPE-UHFFFAOYSA-N -1 1 352.391 2.494 20 0 FEADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])N1CCOC[C@H]1C1CC1 ZINC000766104912 680867338 /nfs/dbraw/zinc/86/73/38/680867338.db2.gz QTUVEUQRUMSGHM-LBPRGKRZSA-N -1 1 374.220 2.493 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)OC)c(F)cc1Cl ZINC000841518153 680890508 /nfs/dbraw/zinc/89/05/08/680890508.db2.gz JRGOBVCLQUHUOI-DTWKUNHWSA-N -1 1 367.826 2.358 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](CC)OC)c(F)cc1Cl ZINC000841521382 680891117 /nfs/dbraw/zinc/89/11/17/680891117.db2.gz NBHBYYJKJCUVNC-SECBINFHSA-N -1 1 367.826 2.359 20 0 FEADMM CCOC[C@@H](NCc1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000841816935 680913817 /nfs/dbraw/zinc/91/38/17/680913817.db2.gz DURLJHFWYBNVHE-OAHLLOKOSA-N -1 1 351.834 2.473 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(C)n(C)n1 ZINC000768013939 680935112 /nfs/dbraw/zinc/93/51/12/680935112.db2.gz PDOGCLWTFIKCRA-UHFFFAOYSA-N -1 1 351.428 2.237 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C2CC(c3ccc(F)cc3)C2)CCC1 ZINC000843014884 680981924 /nfs/dbraw/zinc/98/19/24/680981924.db2.gz SMWADSIHGBAPJU-UHFFFAOYSA-N -1 1 368.474 2.250 20 0 FEADMM Cc1c(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cnc2ccccc12 ZINC000843016289 680982174 /nfs/dbraw/zinc/98/21/74/680982174.db2.gz OIIJRQJHNCODGL-UHFFFAOYSA-N -1 1 361.467 2.087 20 0 FEADMM CC[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccc(OC)cc1 ZINC000843016506 680982181 /nfs/dbraw/zinc/98/21/81/680982181.db2.gz QRFWPBDFEWJQDE-MRXNPFEDSA-N -1 1 368.499 2.119 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3c2cccc3Cl)CCC1 ZINC000843015551 680982265 /nfs/dbraw/zinc/98/22/65/680982265.db2.gz MFMUMKTWAPSGCT-AWEZNQCLSA-N -1 1 370.902 2.300 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCCC3)CCC1 ZINC000843019348 680983070 /nfs/dbraw/zinc/98/30/70/680983070.db2.gz PWJKZMRTWQBMTO-UHFFFAOYSA-N -1 1 350.484 2.109 20 0 FEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCc2ccccc2Cl)CCC1 ZINC000843019518 680983204 /nfs/dbraw/zinc/98/32/04/680983204.db2.gz TXKFNXHJMSHZAG-UHFFFAOYSA-N -1 1 358.891 2.203 20 0 FEADMM CCCCCCn1cc(S(=O)(=O)[N-]CCCC(C)C)c(=O)[nH]c1=O ZINC000769623471 680989328 /nfs/dbraw/zinc/98/93/28/680989328.db2.gz GXZWROWMQDOBMJ-UHFFFAOYSA-N -1 1 359.492 2.244 20 0 FEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)OC(C)(C)C ZINC000769644461 680989906 /nfs/dbraw/zinc/98/99/06/680989906.db2.gz VKPPIPCEEJUXCV-SNVBAGLBSA-N -1 1 352.435 2.257 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NCC2(CO)CC2)c1)OCC(F)(F)F ZINC000769992285 681002530 /nfs/dbraw/zinc/00/25/30/681002530.db2.gz BPKGJBIGZUWVGG-UHFFFAOYSA-N -1 1 362.304 2.005 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)n[nH]c1C)c1cccc(C)c1C ZINC000770297490 681012179 /nfs/dbraw/zinc/01/21/79/681012179.db2.gz CACRYZWQYXNYCT-HNNXBMFYSA-N -1 1 365.455 2.226 20 0 FEADMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000912531484 685393334 /nfs/dbraw/zinc/39/33/34/685393334.db2.gz ONVNCFGYEXGOQE-UHFFFAOYSA-N -1 1 351.167 2.271 20 0 FEADMM C[C@H]1CCN(Cc2cc3n(n2)CCCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000844328478 681051830 /nfs/dbraw/zinc/05/18/30/681051830.db2.gz AXCQFJJSLBAIQH-HUBLWGQQSA-N -1 1 358.408 2.497 20 0 FEADMM O=C(COC(=O)c1ccc(C(F)(F)F)cn1)[N-]C(=O)c1ccccc1 ZINC000844424369 681058080 /nfs/dbraw/zinc/05/80/80/681058080.db2.gz FMUMWKOIQPSSRH-UHFFFAOYSA-N -1 1 352.268 2.214 20 0 FEADMM CC(C)(C)OC(=O)NCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000771576235 681060372 /nfs/dbraw/zinc/06/03/72/681060372.db2.gz QTWAMYACDDELOP-UHFFFAOYSA-N -1 1 360.208 2.403 20 0 FEADMM COc1ccc(NC(=O)c2csc(Cl)n2)cc1[N-]S(C)(=O)=O ZINC000771618301 681063122 /nfs/dbraw/zinc/06/31/22/681063122.db2.gz ATJDSCYXGWFHBB-UHFFFAOYSA-N -1 1 361.832 2.429 20 0 FEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC)nc1Cl ZINC000844659456 681072398 /nfs/dbraw/zinc/07/23/98/681072398.db2.gz GMPOVVQMLUEZKC-SNVBAGLBSA-N -1 1 350.824 2.217 20 0 FEADMM CC(C)c1ncc(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000844933415 681094093 /nfs/dbraw/zinc/09/40/93/681094093.db2.gz FKSMDMHYQMFHOK-LBPRGKRZSA-N -1 1 351.472 2.164 20 0 FEADMM Cc1cccc(OCCCCC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000773155350 681127726 /nfs/dbraw/zinc/12/77/26/681127726.db2.gz ULKYTWCKFAXOKW-HNNXBMFYSA-N -1 1 361.471 2.374 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cnc(C(C)C)s2)cc1 ZINC000773199610 681130407 /nfs/dbraw/zinc/13/04/07/681130407.db2.gz MOKNLAYNELKXBW-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM CCO[N-]C(=O)CNC(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC000845553008 681137358 /nfs/dbraw/zinc/13/73/58/681137358.db2.gz MQRKMXAGZHRTEK-OAHLLOKOSA-N -1 1 370.881 2.090 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)COc1cccc(C=O)c1 ZINC000774012919 681164602 /nfs/dbraw/zinc/16/46/02/681164602.db2.gz PNXPKTXQWMBYAU-UHFFFAOYSA-N -1 1 366.370 2.027 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000846022237 681174619 /nfs/dbraw/zinc/17/46/19/681174619.db2.gz LAWKILOAHIIKTJ-SECBINFHSA-N -1 1 356.227 2.319 20 0 FEADMM O=C(NCCCn1cnc2ccccc21)c1ccc2n[n-]c(=S)n2c1 ZINC000774327472 681179126 /nfs/dbraw/zinc/17/91/26/681179126.db2.gz POEIMVQGOPYGKY-UHFFFAOYSA-N -1 1 352.423 2.188 20 0 FEADMM Cc1onc(-c2ccccn2)c1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774975380 681259792 /nfs/dbraw/zinc/25/97/92/681259792.db2.gz XUHCUBSBLRPRKQ-UHFFFAOYSA-N -1 1 357.288 2.270 20 0 FEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCN1C ZINC000775710899 681327238 /nfs/dbraw/zinc/32/72/38/681327238.db2.gz OOXOVENRUOSLSB-RQJHMYQMSA-N -1 1 358.332 2.143 20 0 FEADMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N1CCC2(CCCC2)C1 ZINC000933106333 681362749 /nfs/dbraw/zinc/36/27/49/681362749.db2.gz GWZVOILHUTZUST-UHFFFAOYSA-N -1 1 352.381 2.122 20 0 FEADMM C[C@H]1Cc2cc(NC(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)ccc2O1 ZINC000933136681 681368659 /nfs/dbraw/zinc/36/86/59/681368659.db2.gz CGENZFXHZALWCF-VIFPVBQESA-N -1 1 357.332 2.152 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1CSC1(C)C ZINC000847367800 681369253 /nfs/dbraw/zinc/36/92/53/681369253.db2.gz PBGHQUUFGHEQIL-OPRDCNLKSA-N -1 1 353.410 2.121 20 0 FEADMM CCSCCCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847366759 681369341 /nfs/dbraw/zinc/36/93/41/681369341.db2.gz XDMWMDWIPBCYHO-GHMZBOCLSA-N -1 1 355.426 2.371 20 0 FEADMM CO[C@](C)(CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C1CC1 ZINC000847374823 681369908 /nfs/dbraw/zinc/36/99/08/681369908.db2.gz NJSSWWYTCNWBHS-IXPVHAAZSA-N -1 1 365.396 2.043 20 0 FEADMM O=C([O-])C[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000776612099 681416956 /nfs/dbraw/zinc/41/69/56/681416956.db2.gz DFPWZWBMSLOSGV-GFCCVEGCSA-N -1 1 373.352 2.468 20 0 FEADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cnn(CC2CC2)c1 ZINC000777600949 681509531 /nfs/dbraw/zinc/50/95/31/681509531.db2.gz RIILQFYLSQZPHS-UHFFFAOYSA-N -1 1 355.803 2.476 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn2ccccc12 ZINC000848341314 681524678 /nfs/dbraw/zinc/52/46/78/681524678.db2.gz BVECSSHOXLPHJP-ZYHUDNBSSA-N -1 1 354.332 2.006 20 0 FEADMM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc2n[n-]c(=S)n2c1 ZINC000848344140 681525403 /nfs/dbraw/zinc/52/54/03/681525403.db2.gz BQZQWOMSDMXOHH-ZJUUUORDSA-N -1 1 360.361 2.248 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1ccoc1)C(F)(F)F ZINC000848455877 681548759 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FEADMM CN(C)[C@H](CNC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909123410 691781846 /nfs/dbraw/zinc/78/18/46/691781846.db2.gz VXEPFXQFMHFTSE-CZUORRHYSA-N -1 1 359.829 2.445 20 0 FEADMM CSc1ccc(N2C[C@@H](C(=O)[N-]OCc3ccccn3)CC2=O)cc1 ZINC000909526332 691831690 /nfs/dbraw/zinc/83/16/90/691831690.db2.gz OKXQPFWIECJKAL-ZDUSSCGKSA-N -1 1 357.435 2.404 20 0 FEADMM Cc1c(Br)cccc1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909916416 691871329 /nfs/dbraw/zinc/87/13/29/691871329.db2.gz NTFSCNGLCJUFPL-CYBMUJFWSA-N -1 1 369.259 2.170 20 0 FEADMM O=C([O-])[C@H](NC(=O)C1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC000910088499 691886329 /nfs/dbraw/zinc/88/63/29/691886329.db2.gz HDYRKNVDSVQKBN-OFLPRAFFSA-N -1 1 352.475 2.027 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000910170832 691896390 /nfs/dbraw/zinc/89/63/90/691896390.db2.gz OVWSLWYGDPFVGS-PNESKVBLSA-N -1 1 350.381 2.363 20 0 FEADMM Cc1cc(C(F)(F)F)ccc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910253963 691906954 /nfs/dbraw/zinc/90/69/54/691906954.db2.gz PPLCRPTVBLOXJX-ZDUSSCGKSA-N -1 1 358.360 2.427 20 0 FEADMM O=C([O-])[C@H]1CCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1F ZINC001465114200 804139791 /nfs/dbraw/zinc/13/97/91/804139791.db2.gz DTRROPNVWWJJRG-CABZTGNLSA-N -1 1 369.336 2.229 20 0 FEADMM O=C([O-])[C@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000780562242 939132660 /nfs/dbraw/zinc/13/26/60/939132660.db2.gz KPGXNWAXEAVVGL-OAHLLOKOSA-N -1 1 369.356 2.236 20 0 FEADMM O=C([O-])[C@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000780562242 939132664 /nfs/dbraw/zinc/13/26/64/939132664.db2.gz KPGXNWAXEAVVGL-OAHLLOKOSA-N -1 1 369.356 2.236 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000908759871 939314910 /nfs/dbraw/zinc/31/49/10/939314910.db2.gz JBIAWHKPLPVMFQ-HNAYVOBHSA-N -1 1 369.506 2.066 20 0 FEADMM COC(=O)c1ccc(CNC(=O)c2csc(=NC3CC3)[n-]2)cc1OC ZINC000513186122 538988961 /nfs/dbraw/zinc/98/89/61/538988961.db2.gz BWHDCMHRTJFSPI-UHFFFAOYSA-N -1 1 361.423 2.443 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000007057045 539446622 /nfs/dbraw/zinc/44/66/22/539446622.db2.gz RXXNAFCCQGDKGS-UHFFFAOYSA-N -1 1 368.480 2.355 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000007325351 539455018 /nfs/dbraw/zinc/45/50/18/539455018.db2.gz PKOWDNFCUIQFEA-UHFFFAOYSA-N -1 1 363.391 2.435 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)c(C(F)(F)F)n1 ZINC000549798885 674063684 /nfs/dbraw/zinc/06/36/84/674063684.db2.gz XKDDHONCTVEUSK-KOLCDFICSA-N -1 1 369.409 2.311 20 0 FEADMM CCc1coc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 ZINC000549846549 674066966 /nfs/dbraw/zinc/06/69/66/674066966.db2.gz JPBGBMGMHMVVPG-UHFFFAOYSA-N -1 1 355.441 2.335 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)NCCOc2cccc(C)c2)n1 ZINC000021189680 539681464 /nfs/dbraw/zinc/68/14/64/539681464.db2.gz HGZYRTSYMNAXKQ-UHFFFAOYSA-N -1 1 361.467 2.318 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2nnc3ccccn32)c(=O)[n-]1 ZINC000022422087 539695212 /nfs/dbraw/zinc/69/52/12/539695212.db2.gz FZIRQRVHFKRWLZ-LLVKDONJSA-N -1 1 372.454 2.065 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)C2)cc1 ZINC000022737949 539698204 /nfs/dbraw/zinc/69/82/04/539698204.db2.gz HTQLQPJKMZUKKP-MRXNPFEDSA-N -1 1 374.462 2.393 20 0 FEADMM CC1(N2CCOCC2)CCN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000529066131 539800531 /nfs/dbraw/zinc/80/05/31/539800531.db2.gz VLKXKVROMYKQMP-UHFFFAOYSA-N -1 1 373.379 2.214 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000028250391 539829243 /nfs/dbraw/zinc/82/92/43/539829243.db2.gz JQALJWDSRUYFNI-UHFFFAOYSA-N -1 1 354.453 2.421 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCOCC1 ZINC000030338111 539879566 /nfs/dbraw/zinc/87/95/66/539879566.db2.gz GHFAVYUWFJTNMY-QMMMGPOBSA-N -1 1 359.300 2.054 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cn[nH]c3)c2)cc1 ZINC000030663510 539888698 /nfs/dbraw/zinc/88/86/98/539888698.db2.gz QBEHGBKHPXCUMY-UHFFFAOYSA-N -1 1 372.406 2.471 20 0 FEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl ZINC000031720936 539917226 /nfs/dbraw/zinc/91/72/26/539917226.db2.gz LKDSOIKTGSFSJD-UHFFFAOYSA-N -1 1 367.770 2.087 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)o1 ZINC000032927681 539959760 /nfs/dbraw/zinc/95/97/60/539959760.db2.gz QRWWYMQIUUBOOP-MRXNPFEDSA-N -1 1 366.439 2.323 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)cc1 ZINC000036833296 539994758 /nfs/dbraw/zinc/99/47/58/539994758.db2.gz ODOWQRBESHEBNL-UHFFFAOYSA-N -1 1 356.407 2.486 20 0 FEADMM Cn1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000047529924 540316590 /nfs/dbraw/zinc/31/65/90/540316590.db2.gz PDOBEPMDHMNHRQ-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O ZINC000047905753 540333268 /nfs/dbraw/zinc/33/32/68/540333268.db2.gz VHFQILRQADMATL-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000048154514 540347917 /nfs/dbraw/zinc/34/79/17/540347917.db2.gz XFOZFZXUWOFYFD-LBPRGKRZSA-N -1 1 366.439 2.466 20 0 FEADMM CCOCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000053960281 540561122 /nfs/dbraw/zinc/56/11/22/540561122.db2.gz AJZGFLOXEJRNEW-UHFFFAOYSA-N -1 1 366.414 2.393 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000055220886 540637707 /nfs/dbraw/zinc/63/77/07/540637707.db2.gz HJIBOAUXPRGAOC-UHFFFAOYSA-N -1 1 371.393 2.070 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCOc2c(C)cccc2C)o1 ZINC000055400187 540650390 /nfs/dbraw/zinc/65/03/90/540650390.db2.gz RUWFMEOFGRNANT-UHFFFAOYSA-N -1 1 366.439 2.003 20 0 FEADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000055554956 540658589 /nfs/dbraw/zinc/65/85/89/540658589.db2.gz CWUZXZYUGWLZQQ-UHFFFAOYSA-N -1 1 370.377 2.410 20 0 FEADMM CCOc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1OC ZINC000055631806 540665533 /nfs/dbraw/zinc/66/55/33/540665533.db2.gz KKSBGTKQZIYDOG-UHFFFAOYSA-N -1 1 364.379 2.329 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)CC3)cc2)cc1 ZINC000055628790 540664973 /nfs/dbraw/zinc/66/49/73/540664973.db2.gz FAJLHIGFHAJXQF-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)NC1CCCCC1 ZINC000056130456 540705528 /nfs/dbraw/zinc/70/55/28/540705528.db2.gz YHQQSRVPRZHPJI-UHFFFAOYSA-N -1 1 364.389 2.221 20 0 FEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000057118836 540769431 /nfs/dbraw/zinc/76/94/31/540769431.db2.gz YFZWQADKFNAOBB-UHFFFAOYSA-N -1 1 373.390 2.066 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)cc1C ZINC000062930705 541155184 /nfs/dbraw/zinc/15/51/84/541155184.db2.gz JBAIVAKJAOCWNJ-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000064091826 541194668 /nfs/dbraw/zinc/19/46/68/541194668.db2.gz RTKUWMLAPPNBFK-UHFFFAOYSA-N -1 1 362.407 2.148 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)cc1 ZINC000064475328 541207181 /nfs/dbraw/zinc/20/71/81/541207181.db2.gz FCUPWGZZKGXQMM-UHFFFAOYSA-N -1 1 373.438 2.426 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)n[n-]c1=S ZINC000066636910 541351447 /nfs/dbraw/zinc/35/14/47/541351447.db2.gz FWUYKNQAFFXHPE-AWEZNQCLSA-N -1 1 373.482 2.129 20 0 FEADMM COc1ccccc1C(C)(C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000067027397 541408054 /nfs/dbraw/zinc/40/80/54/541408054.db2.gz HLYCRLYJYWHOLQ-UHFFFAOYSA-N -1 1 368.437 2.242 20 0 FEADMM CCn1c(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)n[n-]c1=S ZINC000067050732 541411075 /nfs/dbraw/zinc/41/10/75/541411075.db2.gz KGICLQNGMMLUME-ZDUSSCGKSA-N -1 1 374.470 2.273 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000068181668 541559239 /nfs/dbraw/zinc/55/92/39/541559239.db2.gz OYSYLGAEPGKHGU-UHFFFAOYSA-N -1 1 365.499 2.149 20 0 FEADMM CCn1c(C2CCN(C(=O)CCNC(=O)C(C)(C)C)CC2)n[n-]c1=S ZINC000068453853 541594460 /nfs/dbraw/zinc/59/44/60/541594460.db2.gz HKIMDWOAKDGFLE-UHFFFAOYSA-N -1 1 367.519 2.219 20 0 FEADMM CCOC(=O)NCCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435475 541591524 /nfs/dbraw/zinc/59/15/24/541591524.db2.gz ZUBHXXCSIQYEGX-UHFFFAOYSA-N -1 1 369.491 2.364 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)n[n-]c1=S ZINC000069702908 541706044 /nfs/dbraw/zinc/70/60/44/541706044.db2.gz IKDHCGHHYHKHFJ-GFCCVEGCSA-N -1 1 367.381 2.048 20 0 FEADMM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000069696124 541704811 /nfs/dbraw/zinc/70/48/11/541704811.db2.gz OJHGCWOYSYFJLQ-NSHDSACASA-N -1 1 369.347 2.290 20 0 FEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092107 541763479 /nfs/dbraw/zinc/76/34/79/541763479.db2.gz VDUGYXMTLMPRAJ-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM COC(=O)[C@@H](OC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000801373801 674124733 /nfs/dbraw/zinc/12/47/33/674124733.db2.gz PJBKOLCCWBXWDE-AWEZNQCLSA-N -1 1 350.758 2.340 20 0 FEADMM CCO[C@H](CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)C1=CCCC1 ZINC000073094735 541917058 /nfs/dbraw/zinc/91/70/58/541917058.db2.gz DXBSCSJJBQNZDR-MRXNPFEDSA-N -1 1 358.442 2.161 20 0 FEADMM O=C(NC1(c2cccc(F)c2)CCOCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000075538920 542186027 /nfs/dbraw/zinc/18/60/27/542186027.db2.gz RAQNELUOCKDLJR-UHFFFAOYSA-N -1 1 367.380 2.498 20 0 FEADMM O=C(NCCN1C(=O)CSC1=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000801605742 674140138 /nfs/dbraw/zinc/14/01/38/674140138.db2.gz HRFXZADUIGHNHY-UHFFFAOYSA-N -1 1 365.798 2.019 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)c3cc(Cl)c4c(c3)OCCCO4)ccnc1-2 ZINC000801701526 674144596 /nfs/dbraw/zinc/14/45/96/674144596.db2.gz RECYGCUYSIFUCX-UHFFFAOYSA-N -1 1 358.785 2.409 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000076653170 542306110 /nfs/dbraw/zinc/30/61/10/542306110.db2.gz TXHIFLKSXGPGON-AAEUAGOBSA-N -1 1 366.414 2.345 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccccc2C)o1 ZINC000076881607 542328179 /nfs/dbraw/zinc/32/81/79/542328179.db2.gz HQROEMURZHBRQV-UHFFFAOYSA-N -1 1 350.440 2.247 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)ccc1C ZINC000083577553 542699419 /nfs/dbraw/zinc/69/94/19/542699419.db2.gz UAECZGMMFMQDPP-UHFFFAOYSA-N -1 1 359.407 2.469 20 0 FEADMM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000084939826 542723386 /nfs/dbraw/zinc/72/33/86/542723386.db2.gz WCJKSQXTNWJDJG-SCZZXKLOSA-N -1 1 351.346 2.114 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCO)ccc2C)c1 ZINC000097075286 543004050 /nfs/dbraw/zinc/00/40/50/543004050.db2.gz KAAFNZGAENKQTI-UHFFFAOYSA-N -1 1 362.451 2.216 20 0 FEADMM CCOc1ccc([C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000103942290 543118722 /nfs/dbraw/zinc/11/87/22/543118722.db2.gz MNBRGIBSFRFBBF-GFCCVEGCSA-N -1 1 368.437 2.458 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000104313441 543128041 /nfs/dbraw/zinc/12/80/41/543128041.db2.gz KUORIYSLLFICIC-LLVKDONJSA-N -1 1 367.331 2.457 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)ccc1F ZINC000105590221 543177635 /nfs/dbraw/zinc/17/76/35/543177635.db2.gz QFQVSFYZACWNMV-UHFFFAOYSA-N -1 1 358.416 2.306 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3Cn3cncn3)ccc2O1 ZINC000106007353 543184483 /nfs/dbraw/zinc/18/44/83/543184483.db2.gz DQIJLHJOMNAHHO-CYBMUJFWSA-N -1 1 370.434 2.451 20 0 FEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)oc(=O)n4C)ccc2O1 ZINC000106007812 543185151 /nfs/dbraw/zinc/18/51/51/543185151.db2.gz CUXLBLIQMDPPMR-SNVBAGLBSA-N -1 1 360.391 2.256 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCc2nc(C)cs2)o1 ZINC000107700485 543276156 /nfs/dbraw/zinc/27/61/56/543276156.db2.gz AQXYEUKIORMLHM-UHFFFAOYSA-N -1 1 358.441 2.132 20 0 FEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1F)C(F)(F)F ZINC000551996826 674180016 /nfs/dbraw/zinc/18/00/16/674180016.db2.gz XUOHRRSKOZJWPM-YFKPBYRVSA-N -1 1 365.251 2.035 20 0 FEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC2(CNC(=O)O2)CC1 ZINC000802609370 674187909 /nfs/dbraw/zinc/18/79/09/674187909.db2.gz ZEPOMSSQDOKMAS-UHFFFAOYSA-N -1 1 361.785 2.308 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116094768 543597965 /nfs/dbraw/zinc/59/79/65/543597965.db2.gz DQWNEWJWLIWNBN-IUODEOHRSA-N -1 1 372.375 2.132 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCc3ccccc3CC2)c(=O)[n-]1 ZINC000116071663 543597151 /nfs/dbraw/zinc/59/71/51/543597151.db2.gz ZSMXFIFNJWXBIP-UHFFFAOYSA-N -1 1 357.479 2.360 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCO)cc1 ZINC000123358442 543756816 /nfs/dbraw/zinc/75/68/16/543756816.db2.gz DMQTVEXBAOMWRC-AWEZNQCLSA-N -1 1 362.451 2.297 20 0 FEADMM C[C@H](CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nn[n-]n1 ZINC000124023662 543797087 /nfs/dbraw/zinc/79/70/87/543797087.db2.gz CIKSCXRZFJSANZ-SECBINFHSA-N -1 1 373.398 2.107 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccc(Br)c1Cl)c1nn[n-]n1 ZINC000124231333 543808396 /nfs/dbraw/zinc/80/83/96/543808396.db2.gz UIQGOGFKWMDEGD-SSDOTTSWSA-N -1 1 358.627 2.491 20 0 FEADMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127148995 543975611 /nfs/dbraw/zinc/97/56/11/543975611.db2.gz ULOSOPZXVQRRGP-SECBINFHSA-N -1 1 368.846 2.445 20 0 FEADMM C[C@H](O)C[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000127190819 543977541 /nfs/dbraw/zinc/97/75/41/543977541.db2.gz BTYLHOPLBFDFIH-ZFWWWQNUSA-N -1 1 351.406 2.208 20 0 FEADMM C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1=O ZINC000128121837 544033937 /nfs/dbraw/zinc/03/39/37/544033937.db2.gz XONUVRWOIGNWGF-KOLCDFICSA-N -1 1 367.331 2.372 20 0 FEADMM CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000128216893 544039347 /nfs/dbraw/zinc/03/93/47/544039347.db2.gz BBGXKYSWFSGTII-LLVKDONJSA-N -1 1 355.232 2.286 20 0 FEADMM Cc1c(Br)cccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129518041 544116254 /nfs/dbraw/zinc/11/62/54/544116254.db2.gz BXRYDBSFFSQUOH-SNVBAGLBSA-N -1 1 350.220 2.290 20 0 FEADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c1 ZINC000131031650 544174650 /nfs/dbraw/zinc/17/46/50/544174650.db2.gz UXASEYHLRRCOFC-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM O=C(CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc2c(c1)CCC2 ZINC000132712374 544241052 /nfs/dbraw/zinc/24/10/52/544241052.db2.gz SVQXCVIHYYGWCC-INIZCTEOSA-N -1 1 353.426 2.058 20 0 FEADMM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccccn2)n1 ZINC000133151720 544257915 /nfs/dbraw/zinc/25/79/15/544257915.db2.gz LERSFECHCPEHAV-NSHDSACASA-N -1 1 360.395 2.180 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)ccc1C ZINC000134461737 544309175 /nfs/dbraw/zinc/30/91/75/544309175.db2.gz IUOHHSJEKNOJGM-HSZRJFAPSA-N -1 1 366.464 2.492 20 0 FEADMM O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1nnn[n-]1 ZINC000135474843 544348484 /nfs/dbraw/zinc/34/84/84/544348484.db2.gz QKXCMDUKJOOARK-UHFFFAOYSA-N -1 1 353.367 2.134 20 0 FEADMM O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1nn[n-]n1 ZINC000135474843 544348487 /nfs/dbraw/zinc/34/84/87/544348487.db2.gz QKXCMDUKJOOARK-UHFFFAOYSA-N -1 1 353.367 2.134 20 0 FEADMM CCC[C@@H](NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)c1nn[n-]n1 ZINC000136661041 544376164 /nfs/dbraw/zinc/37/61/64/544376164.db2.gz PDNAGESUNQGEAJ-CYBMUJFWSA-N -1 1 372.408 2.314 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Br)c1)c1nn[n-]n1 ZINC000136676636 544376965 /nfs/dbraw/zinc/37/69/65/544376965.db2.gz IKVMAXLGDCKCRM-BXKDBHETSA-N -1 1 368.235 2.387 20 0 FEADMM CN(Cc1cscn1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000149534972 544457480 /nfs/dbraw/zinc/45/74/80/544457480.db2.gz QWMBOFMFWKIAIB-UHFFFAOYSA-N -1 1 357.457 2.085 20 0 FEADMM Cn1cc(N2CCC[C@H](Sc3nc(C(F)(F)F)cc(=O)[n-]3)C2=O)cn1 ZINC000151039476 544498379 /nfs/dbraw/zinc/49/83/79/544498379.db2.gz QSQNQHPEAMTOJB-VIFPVBQESA-N -1 1 373.360 2.222 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)CCc2ncc(C)s2)c(=O)[n-]1 ZINC000152416731 544650296 /nfs/dbraw/zinc/65/02/96/544650296.db2.gz QOIOZGABLFCFNP-UHFFFAOYSA-N -1 1 366.512 2.199 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nn1-c1cccc(Cl)c1 ZINC000152573244 544669946 /nfs/dbraw/zinc/66/99/46/544669946.db2.gz BUHNWOMNTPCLLQ-GFCCVEGCSA-N -1 1 371.832 2.367 20 0 FEADMM C[C@@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000152714020 544686404 /nfs/dbraw/zinc/68/64/04/544686404.db2.gz CMRBNCLQHOIRFB-LJQANCHMSA-N -1 1 374.462 2.474 20 0 FEADMM COc1cccc([C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCO2)c1 ZINC000152730468 544688618 /nfs/dbraw/zinc/68/86/18/544688618.db2.gz MBXZQKJZAQKEEF-KRWDZBQOSA-N -1 1 365.389 2.145 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)co1 ZINC000152759140 544693068 /nfs/dbraw/zinc/69/30/68/544693068.db2.gz UYUUQUJDBZZHJG-CYBMUJFWSA-N -1 1 350.440 2.199 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000153192226 544745512 /nfs/dbraw/zinc/74/55/12/544745512.db2.gz MRCCHGNBRYWPET-AWEZNQCLSA-N -1 1 364.423 2.014 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2c(Cl)cccc2C1 ZINC000153371675 544767484 /nfs/dbraw/zinc/76/74/84/544767484.db2.gz VZESQFBCXWVSCY-UHFFFAOYSA-N -1 1 370.840 2.420 20 0 FEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000154506502 544914824 /nfs/dbraw/zinc/91/48/24/544914824.db2.gz IAQRMNRQYWBDNY-UHFFFAOYSA-N -1 1 371.422 2.363 20 0 FEADMM CCc1cc2c(CN3CCS(=O)(=O)C(C)(C)C3)cc(=O)oc2cc1[O-] ZINC000155151602 544996190 /nfs/dbraw/zinc/99/61/90/544996190.db2.gz KKFJZADDTRPYEL-UHFFFAOYSA-N -1 1 365.451 2.070 20 0 FEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc[nH]c2=O)cc1Cl ZINC000552394268 674207317 /nfs/dbraw/zinc/20/73/17/674207317.db2.gz JXZGZRDBORNWEL-UHFFFAOYSA-N -1 1 359.766 2.339 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(F)c(Br)c(Cl)c1 ZINC000552489960 674211944 /nfs/dbraw/zinc/21/19/44/674211944.db2.gz JAJALJKSNCTYMT-UHFFFAOYSA-N -1 1 360.574 2.174 20 0 FEADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000802989405 674212885 /nfs/dbraw/zinc/21/28/85/674212885.db2.gz XCPTYXXBMQAXAY-CJNGLKHVSA-N -1 1 370.471 2.176 20 0 FEADMM CO[C@H](C)c1nc(=N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)s[n-]1 ZINC000553366823 674255842 /nfs/dbraw/zinc/25/58/42/674255842.db2.gz JUEJNRLOAHBSAC-NXEZZACHSA-N -1 1 366.409 2.413 20 0 FEADMM O=C(NC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1)C1CC1 ZINC000179500679 327646792 /nfs/dbraw/zinc/64/67/92/327646792.db2.gz IFPOJVIFAMVWFU-UHFFFAOYSA-N -1 1 367.243 2.286 20 0 FEADMM C[C@@H]1CCc2sc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2C1 ZINC000179538620 327648446 /nfs/dbraw/zinc/64/84/46/327648446.db2.gz ZGAKWVQUUPRREX-SECBINFHSA-N -1 1 366.464 2.478 20 0 FEADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180531144 327689807 /nfs/dbraw/zinc/68/98/07/327689807.db2.gz DETJCNQBXBNEFH-VIFPVBQESA-N -1 1 370.249 2.304 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000180967838 327710454 /nfs/dbraw/zinc/71/04/54/327710454.db2.gz GSAXXWGSPOTAEO-SFHVURJKSA-N -1 1 363.417 2.336 20 0 FEADMM Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)c2cccnc2)c1 ZINC000182918396 327793766 /nfs/dbraw/zinc/79/37/66/327793766.db2.gz XCQANWSNJJHXNM-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1cc(C)cc(C)c1 ZINC000184260171 327858794 /nfs/dbraw/zinc/85/87/94/327858794.db2.gz KAAUWGADKIMFAR-INIZCTEOSA-N -1 1 365.455 2.273 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)cc1 ZINC000184675944 327878684 /nfs/dbraw/zinc/87/86/84/327878684.db2.gz ZESAPLZYNHILHA-UHFFFAOYSA-N -1 1 366.464 2.118 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)cc(Cl)c1[O-] ZINC000186772187 327981562 /nfs/dbraw/zinc/98/15/62/327981562.db2.gz CUQRSYVGYZQUJE-LLVKDONJSA-N -1 1 350.806 2.089 20 0 FEADMM CCOc1cc(C(=O)N(CCO)Cc2cccnc2)cc(Cl)c1[O-] ZINC000186884018 327988252 /nfs/dbraw/zinc/98/82/52/327988252.db2.gz DQJWIHHDEAKXNA-UHFFFAOYSA-N -1 1 350.802 2.474 20 0 FEADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc2c(cn1)nc[nH]c2=O ZINC000187724245 328042138 /nfs/dbraw/zinc/04/21/38/328042138.db2.gz GVXNRSMRRBVNDT-UHFFFAOYSA-N -1 1 364.390 2.013 20 0 FEADMM Cc1cc(C)c2c(c1)CN(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)CC2 ZINC000187784872 328045979 /nfs/dbraw/zinc/04/59/79/328045979.db2.gz DJAMMFIPAATKRB-UHFFFAOYSA-N -1 1 364.449 2.384 20 0 FEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1C ZINC000187941986 328055582 /nfs/dbraw/zinc/05/55/82/328055582.db2.gz ZQTMSYFNGUCFSA-MWLCHTKSSA-N -1 1 356.216 2.426 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cn2)n1 ZINC000188093743 328065437 /nfs/dbraw/zinc/06/54/37/328065437.db2.gz ZBNKJKSALVXVNA-UHFFFAOYSA-N -1 1 369.244 2.221 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000188111810 328066737 /nfs/dbraw/zinc/06/67/37/328066737.db2.gz FRUFTFBBKZKLMS-BXUZGUMPSA-N -1 1 359.451 2.453 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2oc(CC(C)C)nc2C)s1 ZINC000189051775 328125816 /nfs/dbraw/zinc/12/58/16/328125816.db2.gz ZQPRYYPDRZRAGW-UHFFFAOYSA-N -1 1 352.416 2.391 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000189592028 328156872 /nfs/dbraw/zinc/15/68/72/328156872.db2.gz NZULGUVLROODEH-UHFFFAOYSA-N -1 1 370.453 2.099 20 0 FEADMM O=S(=O)([N-][C@@H]1C[C@@H]2OCCC[C@H]12)c1sccc1Br ZINC000190629222 328220665 /nfs/dbraw/zinc/22/06/65/328220665.db2.gz SXMNDWYTFGNGOZ-QNSHHTMESA-N -1 1 352.275 2.356 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)ccc1F ZINC000190819318 328234314 /nfs/dbraw/zinc/23/43/14/328234314.db2.gz KWKHCBPQZDOGID-UHFFFAOYSA-N -1 1 362.386 2.431 20 0 FEADMM CCOC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000191430080 328265459 /nfs/dbraw/zinc/26/54/59/328265459.db2.gz FCRRFJPNZSRKJH-QGZVFWFLSA-N -1 1 372.469 2.250 20 0 FEADMM C[C@H](O)[C@@](C)(CNC(=O)c1c[n-]c2c(cnn2C)c1=O)Cc1ccccc1 ZINC000192065863 328297942 /nfs/dbraw/zinc/29/79/42/328297942.db2.gz MNDYLPONMXBJMZ-RNODOKPDSA-N -1 1 368.437 2.034 20 0 FEADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCS1(=O)=O ZINC000192297187 328311849 /nfs/dbraw/zinc/31/18/49/328311849.db2.gz FBWQYCRPRIQMQF-VIFPVBQESA-N -1 1 351.346 2.060 20 0 FEADMM CCS(=O)(=O)NC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000192654723 328330944 /nfs/dbraw/zinc/33/09/44/328330944.db2.gz KXFVUJKDOROUAH-UHFFFAOYSA-N -1 1 362.451 2.089 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(C3CCCC3)c2C)o1 ZINC000192746899 328337012 /nfs/dbraw/zinc/33/70/12/328337012.db2.gz XIRLHLOFKPEJBB-UHFFFAOYSA-N -1 1 352.416 2.060 20 0 FEADMM CCC[C@@H](NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)c1nn[n-]n1 ZINC000193471935 328377621 /nfs/dbraw/zinc/37/76/21/328377621.db2.gz CSLGJZBOCSONME-GFCCVEGCSA-N -1 1 374.836 2.322 20 0 FEADMM COC(=O)c1c[n-]c(SCc2nc(=O)c3c4c(sc3[nH]2)CCC4)n1 ZINC000193536345 328380604 /nfs/dbraw/zinc/38/06/04/328380604.db2.gz KHUSFKYGJXFNSM-UHFFFAOYSA-N -1 1 362.436 2.275 20 0 FEADMM COC(=O)c1cnc(S[C@@H](C(N)=O)c2ccc(Br)cc2)[n-]1 ZINC000193557497 328381558 /nfs/dbraw/zinc/38/15/58/328381558.db2.gz RHTJNXYZPCKQFE-SNVBAGLBSA-N -1 1 370.228 2.278 20 0 FEADMM COC(=O)c1c[n-]c(S[C@@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000193557497 328381560 /nfs/dbraw/zinc/38/15/60/328381560.db2.gz RHTJNXYZPCKQFE-SNVBAGLBSA-N -1 1 370.228 2.278 20 0 FEADMM CCNC(=O)c1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000012758459 324373312 /nfs/dbraw/zinc/37/33/12/324373312.db2.gz JKWPRWCVPBLABS-UHFFFAOYSA-N -1 1 374.466 2.121 20 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/nfs/dbraw/zinc/24/71/75/325247175.db2.gz NWOZDYQXTDUREX-UHFFFAOYSA-N -1 1 350.440 2.408 20 0 FEADMM CCOc1ccc(-c2nc(CS(=O)(=O)c3ncn[n-]3)cs2)cc1 ZINC000086169923 325261671 /nfs/dbraw/zinc/26/16/71/325261671.db2.gz RLOJHZOCPFJHGR-UHFFFAOYSA-N -1 1 350.425 2.301 20 0 FEADMM CCOc1ccc(-c2nc(CS(=O)(=O)c3nc[n-]n3)cs2)cc1 ZINC000086169923 325261672 /nfs/dbraw/zinc/26/16/72/325261672.db2.gz RLOJHZOCPFJHGR-UHFFFAOYSA-N -1 1 350.425 2.301 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@](C)(O)c1ccc(F)cc1 ZINC000089257092 325308178 /nfs/dbraw/zinc/30/81/78/325308178.db2.gz ZVJPDTGBUWGIBN-LJQANCHMSA-N -1 1 361.417 2.152 20 0 FEADMM COc1ccc(COCCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000089367786 325313932 /nfs/dbraw/zinc/31/39/32/325313932.db2.gz CWSQQPGUAYPSTA-UHFFFAOYSA-N -1 1 373.453 2.331 20 0 FEADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 ZINC000091557079 325387494 /nfs/dbraw/zinc/38/74/94/325387494.db2.gz VBUTVNPPQVDBJQ-UHFFFAOYSA-N -1 1 365.455 2.315 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCc3cc(F)ccc3C2)c(=O)[n-]1 ZINC000091687903 325389851 /nfs/dbraw/zinc/38/98/51/325389851.db2.gz NWAZVDINTZCFLO-UHFFFAOYSA-N -1 1 361.442 2.457 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1CN1CCOCC1 ZINC000091980799 325399528 /nfs/dbraw/zinc/39/95/28/325399528.db2.gz FCUYJWQNZMAJQZ-CYBMUJFWSA-N -1 1 369.259 2.092 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CCc1ccc(F)cc1 ZINC000104862716 325548893 /nfs/dbraw/zinc/54/88/93/325548893.db2.gz QAKMIPPSQMKMNC-UHFFFAOYSA-N -1 1 356.401 2.022 20 0 FEADMM O=C(NC[C@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110225937 325685353 /nfs/dbraw/zinc/68/53/53/325685353.db2.gz JGJUCJLQNBOJIK-KDOFPFPSSA-N -1 1 368.433 2.303 20 0 FEADMM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(CN2CCOCC2)CC1 ZINC000118774440 326101972 /nfs/dbraw/zinc/10/19/72/326101972.db2.gz FLIMIIXODQHDHY-UHFFFAOYSA-N -1 1 361.467 2.301 20 0 FEADMM C[C@@H]1CN(C2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)CCO1 ZINC000118780545 326102141 /nfs/dbraw/zinc/10/21/41/326102141.db2.gz 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CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000120150788 326235109 /nfs/dbraw/zinc/23/51/09/326235109.db2.gz WELJXNATBHJFRO-OAHLLOKOSA-N -1 1 362.451 2.088 20 0 FEADMM CN(CCO)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000120362014 326252485 /nfs/dbraw/zinc/25/24/85/326252485.db2.gz KDLFHBPOPDMXQD-UHFFFAOYSA-N -1 1 368.842 2.205 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC(F)(F)F)c1 ZINC000120552660 326268234 /nfs/dbraw/zinc/26/82/34/326268234.db2.gz RNFIXFALFNFHQW-UHFFFAOYSA-N -1 1 354.350 2.314 20 0 FEADMM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000120728562 326282888 /nfs/dbraw/zinc/28/28/88/326282888.db2.gz OSLFMUXIBHBKKI-UHFFFAOYSA-N -1 1 366.405 2.323 20 0 FEADMM O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1c([O-])cccc1F ZINC000121093393 326312520 /nfs/dbraw/zinc/31/25/20/326312520.db2.gz PQZRFHLKAGJGQB-MRXNPFEDSA-N -1 1 362.376 2.474 20 0 FEADMM Cc1nn(C)c(C)c1CCNC(=O)c1cc(Br)ccc1[O-] ZINC000122210928 326388355 /nfs/dbraw/zinc/38/83/55/326388355.db2.gz XJRMIIVRIZLKCF-UHFFFAOYSA-N -1 1 352.232 2.478 20 0 FEADMM CC(=O)NC[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000123015700 326417342 /nfs/dbraw/zinc/41/73/42/326417342.db2.gz DNLWLQQLFGAKEA-LLVKDONJSA-N -1 1 355.232 2.143 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126571330 326491336 /nfs/dbraw/zinc/49/13/36/326491336.db2.gz ASIJAGJAAXTXLU-MRXNPFEDSA-N -1 1 360.435 2.087 20 0 FEADMM O=C(c1ncccc1[O-])N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000133551115 326610852 /nfs/dbraw/zinc/61/08/52/326610852.db2.gz BIXFDOFPMFOKIZ-AWEZNQCLSA-N -1 1 365.311 2.119 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000133880161 326616301 /nfs/dbraw/zinc/61/63/01/326616301.db2.gz AJNHZRQZRKVQAG-HNNXBMFYSA-N -1 1 359.403 2.495 20 0 FEADMM CC[C@](C)(NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1nc(C)cs1 ZINC000151162407 326676304 /nfs/dbraw/zinc/67/63/04/326676304.db2.gz AFLRVLRBCGWKED-SFHVURJKSA-N -1 1 373.482 2.388 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)co1 ZINC000153786758 326742812 /nfs/dbraw/zinc/74/28/12/326742812.db2.gz VEGRUAPEUVAIKX-ZDUSSCGKSA-N -1 1 350.440 2.166 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H](SC)C2)c(=O)[n-]1 ZINC000154021383 326749219 /nfs/dbraw/zinc/74/92/19/326749219.db2.gz NQQDFVGNOIKNTQ-GFCCVEGCSA-N -1 1 355.529 2.477 20 0 FEADMM CN(CCC1CCOCC1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000154755456 326768120 /nfs/dbraw/zinc/76/81/20/326768120.db2.gz VATKMDPKQLXYNU-UHFFFAOYSA-N -1 1 372.487 2.245 20 0 FEADMM Cc1ccc(OCCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000159006491 326916171 /nfs/dbraw/zinc/91/61/71/326916171.db2.gz SZAQFFXJIBPEHJ-UHFFFAOYSA-N -1 1 368.437 2.488 20 0 FEADMM CC1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCOCC1 ZINC000159016350 326916247 /nfs/dbraw/zinc/91/62/47/326916247.db2.gz MDRRGYNCWRZJOW-UHFFFAOYSA-N -1 1 369.668 2.345 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000161677170 327006167 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CN(Cc1cnccn1)C(=O)c1cc(I)ccc1[O-] ZINC000172234269 327188885 /nfs/dbraw/zinc/18/88/85/327188885.db2.gz NREPYKYJYBFXQO-UHFFFAOYSA-N -1 1 369.162 2.059 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2NS(C)(=O)=O)cc1 ZINC000172897046 327225352 /nfs/dbraw/zinc/22/53/52/327225352.db2.gz PYRLNDXFEACHGM-UHFFFAOYSA-N -1 1 354.453 2.476 20 0 FEADMM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000172899163 327225497 /nfs/dbraw/zinc/22/54/97/327225497.db2.gz CURYEKFGZRFKMJ-UHFFFAOYSA-N -1 1 373.434 2.197 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)no1 ZINC000173398537 327253738 /nfs/dbraw/zinc/25/37/38/327253738.db2.gz YAIZFUYGGMBKEU-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000173747465 327280957 /nfs/dbraw/zinc/28/09/57/327280957.db2.gz SMZKCIWKFAIHSN-UHFFFAOYSA-N -1 1 374.710 2.259 20 0 FEADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000174267697 327316269 /nfs/dbraw/zinc/31/62/69/327316269.db2.gz FHRHNMYDHXIXBE-UHFFFAOYSA-N -1 1 355.366 2.053 20 0 FEADMM COc1ncc(C)cc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000174358524 327321722 /nfs/dbraw/zinc/32/17/22/327321722.db2.gz AVYVLYPQGYEFLH-UHFFFAOYSA-N -1 1 365.393 2.034 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](O)C3)c2)c1 ZINC000174570814 327335673 /nfs/dbraw/zinc/33/56/73/327335673.db2.gz AARBVDIMEAAOJE-MRXNPFEDSA-N -1 1 374.462 2.311 20 0 FEADMM COc1cccc(Nc2ccccc2C(=O)NCCCc2nc(=O)[n-][nH]2)c1 ZINC000176266511 327444805 /nfs/dbraw/zinc/44/48/05/327444805.db2.gz SWFKGZXWHFSISI-UHFFFAOYSA-N -1 1 367.409 2.213 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1 ZINC000176421904 327455134 /nfs/dbraw/zinc/45/51/34/327455134.db2.gz XEEOHNGCNKZXCJ-UHFFFAOYSA-N -1 1 362.455 2.293 20 0 FEADMM COc1ccc([C@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000176513692 327460369 /nfs/dbraw/zinc/46/03/69/327460369.db2.gz AIDVQFVBQXXLHT-GFCCVEGCSA-N -1 1 368.437 2.458 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2nc3c(s2)CCCC3)cc1 ZINC000177789083 327545351 /nfs/dbraw/zinc/54/53/51/327545351.db2.gz YNVLWSBJCGZWMI-UHFFFAOYSA-N -1 1 373.478 2.419 20 0 FEADMM CC(C)[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000261760915 328817350 /nfs/dbraw/zinc/81/73/50/328817350.db2.gz XQHCKUDWGNDGSO-SNVBAGLBSA-N -1 1 372.187 2.115 20 0 FEADMM COc1ccc([C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000264271263 329006366 /nfs/dbraw/zinc/00/63/66/329006366.db2.gz WVGQQNCRXSEMCA-LLVKDONJSA-N -1 1 354.410 2.068 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(C[C@H]2CCCO2)no1 ZINC000264576020 329037233 /nfs/dbraw/zinc/03/72/33/329037233.db2.gz FHZOEDYWGNZBLU-CYBMUJFWSA-N -1 1 353.382 2.248 20 0 FEADMM Cc1noc(C2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)n1 ZINC000266983550 329279933 /nfs/dbraw/zinc/27/99/33/329279933.db2.gz QUYDWDGXQLPJGP-UHFFFAOYSA-N -1 1 359.430 2.499 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccco1 ZINC000267101506 329291982 /nfs/dbraw/zinc/29/19/82/329291982.db2.gz WVPRDROBBRPNHE-DCGLDWPTSA-N -1 1 355.456 2.282 20 0 FEADMM CCC[C@@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1nn[n-]n1 ZINC000267701987 329351241 /nfs/dbraw/zinc/35/12/41/329351241.db2.gz QFLMFPIQMQWSFM-OAHLLOKOSA-N -1 1 368.397 2.423 20 0 FEADMM CC[C@H]1CC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])O1 ZINC000268283361 329404693 /nfs/dbraw/zinc/40/46/93/329404693.db2.gz WWYJWNPGQNTJOR-BLLLJJGKSA-N -1 1 368.455 2.073 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000270001647 329567340 /nfs/dbraw/zinc/56/73/40/329567340.db2.gz JJPIHSFFRKXMCO-GFCCVEGCSA-N -1 1 355.343 2.007 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCSC1 ZINC000270106593 329575311 /nfs/dbraw/zinc/57/53/11/329575311.db2.gz FFRNMXDOUCGOKM-AWEZNQCLSA-N -1 1 358.467 2.449 20 0 FEADMM Cc1n[nH]cc1CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271247600 329676781 /nfs/dbraw/zinc/67/67/81/329676781.db2.gz JTGNFKLBGLBJEE-UHFFFAOYSA-N -1 1 372.303 2.465 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)CCCO ZINC000271373989 329688676 /nfs/dbraw/zinc/68/86/76/329688676.db2.gz IJBGNWDKELBOMM-UHFFFAOYSA-N -1 1 372.469 2.400 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000272007242 329744493 /nfs/dbraw/zinc/74/44/93/329744493.db2.gz VEZZQIVLRHNJMQ-ZUZCIYMTSA-N -1 1 371.386 2.260 20 0 FEADMM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000272135812 329754788 /nfs/dbraw/zinc/75/47/88/329754788.db2.gz NRCHPTSBTRPPHL-HSMVNMDESA-N -1 1 370.471 2.352 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000273604625 329878620 /nfs/dbraw/zinc/87/86/20/329878620.db2.gz NXPMZCFFTOHZCB-JKSUJKDBSA-N -1 1 374.485 2.240 20 0 FEADMM O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000273765055 329889867 /nfs/dbraw/zinc/88/98/67/329889867.db2.gz UHUYESKXYLNTEH-LLVKDONJSA-N -1 1 357.332 2.087 20 0 FEADMM CCOc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)cc(Cl)c1[O-] ZINC000273925233 329903008 /nfs/dbraw/zinc/90/30/08/329903008.db2.gz GOHCZLXTIYLOJT-NSHDSACASA-N -1 1 358.847 2.048 20 0 FEADMM COCCC(C)(C)CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000273946633 329904674 /nfs/dbraw/zinc/90/46/74/329904674.db2.gz XVLPEPAKFRUZJK-UHFFFAOYSA-N -1 1 373.475 2.251 20 0 FEADMM CC(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000274173261 329922804 /nfs/dbraw/zinc/92/28/04/329922804.db2.gz HDRZZIKBZBKFMW-ZDUSSCGKSA-N -1 1 370.471 2.034 20 0 FEADMM CC(C)(C)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275046782 330005009 /nfs/dbraw/zinc/00/50/09/330005009.db2.gz WJICAIIFAJKOOU-MRXNPFEDSA-N -1 1 368.499 2.202 20 0 FEADMM CCC(CC)S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)[O-] ZINC000275200268 330021214 /nfs/dbraw/zinc/02/12/14/330021214.db2.gz GPJONMNMDWMQBR-UHFFFAOYSA-N -1 1 369.487 2.067 20 0 FEADMM CC(C)CCc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000275230165 330024233 /nfs/dbraw/zinc/02/42/33/330024233.db2.gz FJSMGNQXUJBGFT-UHFFFAOYSA-N -1 1 368.499 2.056 20 0 FEADMM O=C([N-]O[C@H]1CCCCO1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000276135392 330122665 /nfs/dbraw/zinc/12/26/65/330122665.db2.gz NFTCSTHYHMBMPY-NSHDSACASA-N -1 1 354.313 2.013 20 0 FEADMM CC(C)(C)c1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)[nH]n1 ZINC000281823312 330177178 /nfs/dbraw/zinc/17/71/78/330177178.db2.gz VXAJMFPDCDBZJN-UHFFFAOYSA-N -1 1 360.380 2.238 20 0 FEADMM COCCCONC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000805040598 674314696 /nfs/dbraw/zinc/31/46/96/674314696.db2.gz PYHNUCWDDVDBCK-UHFFFAOYSA-N -1 1 364.423 2.185 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c(Br)n1C ZINC000805048067 674315139 /nfs/dbraw/zinc/31/51/39/674315139.db2.gz HWFBLXFFJXVAAQ-UHFFFAOYSA-N -1 1 362.293 2.350 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000805123906 674320640 /nfs/dbraw/zinc/32/06/40/674320640.db2.gz UHJIWZDYCUHYBF-UHFFFAOYSA-N -1 1 350.799 2.082 20 0 FEADMM CCCCCS(=O)(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805126013 674320869 /nfs/dbraw/zinc/32/08/69/674320869.db2.gz NOZYNVJDCQAJFU-SRVKXCTJSA-N -1 1 358.426 2.284 20 0 FEADMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000625454277 676649596 /nfs/dbraw/zinc/64/95/96/676649596.db2.gz UIWBZFVILMKXPG-UHFFFAOYSA-N -1 1 370.805 2.032 20 0 FEADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000882722877 687455459 /nfs/dbraw/zinc/45/54/59/687455459.db2.gz GYEJGHZOYCQJFB-IBGZPJMESA-N -1 1 364.251 2.364 20 0 FEADMM Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cn[n-]n3)cs2)cc1 ZINC000805606548 674347185 /nfs/dbraw/zinc/34/71/85/674347185.db2.gz ZEHOLOJPGIFRKB-UHFFFAOYSA-N -1 1 357.395 2.108 20 0 FEADMM C[C@@H](C(=O)[N-]S(=O)(=O)C1(C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000806027761 674363710 /nfs/dbraw/zinc/36/37/10/674363710.db2.gz RMWGXLDYGZDLCJ-HNNXBMFYSA-N -1 1 364.511 2.328 20 0 FEADMM Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2)nn1 ZINC000155480160 545532426 /nfs/dbraw/zinc/53/24/26/545532426.db2.gz VOIYLPPCPCXSNE-CQSZACIVSA-N -1 1 364.413 2.062 20 0 FEADMM COc1ccc(NC(=O)CCCn2cccc2)cc1[N-]S(C)(=O)=O ZINC000155999748 545590628 /nfs/dbraw/zinc/59/06/28/545590628.db2.gz NJGRLVAVALKGOK-UHFFFAOYSA-N -1 1 351.428 2.287 20 0 FEADMM C[C@@H](CN(C)C(=O)COc1ccccc1Cc1ccccc1)c1nn[n-]n1 ZINC000156532976 545633795 /nfs/dbraw/zinc/63/37/95/545633795.db2.gz NOSJXRKOSSIBQL-HNNXBMFYSA-N -1 1 365.437 2.431 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000477401300 561143948 /nfs/dbraw/zinc/14/39/48/561143948.db2.gz QAGQRIQIMJZVJN-UHFFFAOYSA-N -1 1 365.407 2.220 20 0 FEADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCC2 ZINC000477442807 561145100 /nfs/dbraw/zinc/14/51/00/561145100.db2.gz KCLBGZTWEPATRO-VIFPVBQESA-N -1 1 364.427 2.065 20 0 FEADMM CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1F ZINC000158013317 545811213 /nfs/dbraw/zinc/81/12/13/545811213.db2.gz VOJLULDCOLLOMX-NSHDSACASA-N -1 1 365.268 2.351 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(c2ccccn2)C1)c1ccc(F)c(F)c1F ZINC000159329017 545943188 /nfs/dbraw/zinc/94/31/88/545943188.db2.gz CAENYTJQUVICBJ-JTQLQIEISA-N -1 1 357.357 2.056 20 0 FEADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1nn[n-]n1 ZINC000478601254 561170844 /nfs/dbraw/zinc/17/08/44/561170844.db2.gz VONZFFNNJHSQJR-JLLWLGSASA-N -1 1 351.357 2.167 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H](CO)CCC(C)(C)C)c(=O)[n-]1 ZINC000478610500 561170999 /nfs/dbraw/zinc/17/09/99/561170999.db2.gz QXVAVVZUIRFIHN-GFCCVEGCSA-N -1 1 355.504 2.449 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@@H](CO)Cc3ccc(F)cc3)cnc2n1 ZINC000478868180 561176527 /nfs/dbraw/zinc/17/65/27/561176527.db2.gz PODOFEUPAVQIHQ-AWEZNQCLSA-N -1 1 369.396 2.364 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC[C@@H](CO)Cc3ccc(F)cc3)c[n-]c2n1 ZINC000478868180 561176528 /nfs/dbraw/zinc/17/65/28/561176528.db2.gz PODOFEUPAVQIHQ-AWEZNQCLSA-N -1 1 369.396 2.364 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CN1c1ccccc1 ZINC000170940308 546184260 /nfs/dbraw/zinc/18/42/60/546184260.db2.gz ATONZMCEVGANOO-JTQLQIEISA-N -1 1 370.352 2.188 20 0 FEADMM O=C(CCc1ccoc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000175521636 546312428 /nfs/dbraw/zinc/31/24/28/546312428.db2.gz RTPZARXMOUTDIQ-UHFFFAOYSA-N -1 1 364.423 2.341 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Br)c1nn[n-]n1 ZINC000176786574 546487798 /nfs/dbraw/zinc/48/77/98/546487798.db2.gz YAMOSVAUCKRWAM-MWLCHTKSSA-N -1 1 368.235 2.387 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCCc1cccc(Cl)c1Cl ZINC000480542238 561211612 /nfs/dbraw/zinc/21/16/12/561211612.db2.gz SEDFCHACJQYQAS-UHFFFAOYSA-N -1 1 368.220 2.183 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccnc1OCc1ccccc1F)c1nn[n-]n1 ZINC000480566109 561212039 /nfs/dbraw/zinc/21/20/39/561212039.db2.gz XQANOVLEWRWYHI-GFCCVEGCSA-N -1 1 370.388 2.189 20 0 FEADMM CC(C)Oc1ccc([C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000480851231 561218179 /nfs/dbraw/zinc/21/81/79/561218179.db2.gz WOQIPCGQLIACRT-CYBMUJFWSA-N -1 1 357.410 2.182 20 0 FEADMM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1sccc1Br ZINC000177518598 546634837 /nfs/dbraw/zinc/63/48/37/546634837.db2.gz PQADMGAGMDBBRW-QMMMGPOBSA-N -1 1 370.290 2.377 20 0 FEADMM O=S(=O)([N-][C@@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)nc1Cl ZINC000179496354 546965536 /nfs/dbraw/zinc/96/55/36/546965536.db2.gz DQKNLFATKXANNP-ZWNOBZJWSA-N -1 1 359.234 2.325 20 0 FEADMM Cc1csc([C@H]2CCCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)n1 ZINC000179523436 546970443 /nfs/dbraw/zinc/97/04/43/546970443.db2.gz GPNWCLRNIXNLAA-NSHDSACASA-N -1 1 357.439 2.459 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000179537095 546973122 /nfs/dbraw/zinc/97/31/22/546973122.db2.gz WKUOLXGMMGQMPG-VHSXEESVSA-N -1 1 368.361 2.060 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000179541188 546974803 /nfs/dbraw/zinc/97/48/03/546974803.db2.gz FFDPTTWIYYNLIP-UHFFFAOYSA-N -1 1 374.340 2.240 20 0 FEADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)N1CCCCC1 ZINC000179550052 546975415 /nfs/dbraw/zinc/97/54/15/546975415.db2.gz WQGSQLCJHUVOPE-SNVBAGLBSA-N -1 1 355.232 2.286 20 0 FEADMM CCCCN(Cc1ccccc1F)C(=O)CNC(=O)c1ncccc1[O-] ZINC000482430456 561253811 /nfs/dbraw/zinc/25/38/11/561253811.db2.gz CCQGZKZRJIOAGZ-UHFFFAOYSA-N -1 1 359.401 2.485 20 0 FEADMM O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(O)cc1 ZINC000180407094 547103148 /nfs/dbraw/zinc/10/31/48/547103148.db2.gz QZJZJLAVNXILAN-UHFFFAOYSA-N -1 1 368.311 2.276 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC000181030854 547233995 /nfs/dbraw/zinc/23/39/95/547233995.db2.gz YNZCKPRRMIPFTI-UHFFFAOYSA-N -1 1 359.407 2.092 20 0 FEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1Cl ZINC000181205218 547269658 /nfs/dbraw/zinc/26/96/58/547269658.db2.gz ALDLBFPQPOWNOW-UHFFFAOYSA-N -1 1 352.799 2.442 20 0 FEADMM C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000182038048 547426633 /nfs/dbraw/zinc/42/66/33/547426633.db2.gz CLEUUVPWBBYILC-SECBINFHSA-N -1 1 365.373 2.449 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000182534414 547509879 /nfs/dbraw/zinc/50/98/79/547509879.db2.gz XMSIKVAVKCQBOR-UHFFFAOYSA-N -1 1 365.503 2.413 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C)c1ccco1 ZINC000182722322 547540803 /nfs/dbraw/zinc/54/08/03/547540803.db2.gz DUDFJXKYFHDZMM-CQSZACIVSA-N -1 1 355.460 2.415 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cs1 ZINC000484524287 561299090 /nfs/dbraw/zinc/29/90/90/561299090.db2.gz AVXMADQMJJLPCM-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM COc1cc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)ncn1 ZINC000183812707 547723615 /nfs/dbraw/zinc/72/36/15/547723615.db2.gz AGDAKJDHUAYLAH-UHFFFAOYSA-N -1 1 364.405 2.306 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)o1 ZINC000184003452 547753247 /nfs/dbraw/zinc/75/32/47/547753247.db2.gz MSJWYUPASRLUQD-GOSISDBHSA-N -1 1 362.451 2.425 20 0 FEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000484961320 561309417 /nfs/dbraw/zinc/30/94/17/561309417.db2.gz BJNRMGOVYHSCPT-CYBMUJFWSA-N -1 1 357.428 2.483 20 0 FEADMM CCc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000184915649 547899527 /nfs/dbraw/zinc/89/95/27/547899527.db2.gz HFKZBKSZBYKTSY-UONOGXRCSA-N -1 1 368.499 2.346 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)co1 ZINC000184923953 547901830 /nfs/dbraw/zinc/90/18/30/547901830.db2.gz ZRTOCMYHHREZLD-SNVBAGLBSA-N -1 1 370.377 2.096 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000184965843 547908124 /nfs/dbraw/zinc/90/81/24/547908124.db2.gz NLYWNWDIMPLQJH-CQSZACIVSA-N -1 1 368.499 2.346 20 0 FEADMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000184994090 547914796 /nfs/dbraw/zinc/91/47/96/547914796.db2.gz XRCFKIFSOYWYAP-VIFPVBQESA-N -1 1 360.863 2.108 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)o1 ZINC000185204729 547950554 /nfs/dbraw/zinc/95/05/54/547950554.db2.gz IFRYFODYFUOLNW-CQSZACIVSA-N -1 1 362.451 2.434 20 0 FEADMM CC(C)(C)OCc1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)no1 ZINC000186482797 548141641 /nfs/dbraw/zinc/14/16/41/548141641.db2.gz PBQBMLZVCYUCFX-UHFFFAOYSA-N -1 1 356.382 2.156 20 0 FEADMM CS(=O)(=O)[N-]c1cc(-c2ccc(I)cc2)[nH]n1 ZINC000186571469 548153786 /nfs/dbraw/zinc/15/37/86/548153786.db2.gz YQBHKCYMLOQOBI-UHFFFAOYSA-N -1 1 363.180 2.053 20 0 FEADMM CCS(=O)(=O)c1c(Cl)cccc1/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000486121657 561338580 /nfs/dbraw/zinc/33/85/80/561338580.db2.gz JERNQKBEMDTXCL-SREVYHEPSA-N -1 1 364.814 2.035 20 0 FEADMM CCOc1ccccc1[C@@H](CC)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000486215042 561341387 /nfs/dbraw/zinc/34/13/87/561341387.db2.gz LQJGTWXWNZEKNR-CQSZACIVSA-N -1 1 357.410 2.183 20 0 FEADMM O=S(=O)([N-]CCCOC(F)F)c1sccc1Br ZINC000193963954 548414525 /nfs/dbraw/zinc/41/45/25/548414525.db2.gz RQMJXPDJDWZMCS-UHFFFAOYSA-N -1 1 350.206 2.418 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1OC ZINC000486511821 561349519 /nfs/dbraw/zinc/34/95/19/561349519.db2.gz WVZPEDVALPOTMN-UHFFFAOYSA-N -1 1 374.422 2.394 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c1 ZINC000486533608 561350016 /nfs/dbraw/zinc/35/00/16/561350016.db2.gz NYXPJPIETVZEQG-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nc4ccc(F)cc4[nH]3)ccc21 ZINC000486555037 561350646 /nfs/dbraw/zinc/35/06/46/561350646.db2.gz HPHJTYJTAUMTQM-UHFFFAOYSA-N -1 1 374.397 2.412 20 0 FEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000194374833 548471529 /nfs/dbraw/zinc/47/15/29/548471529.db2.gz JDMRCPGPZFIGAV-AWEZNQCLSA-N -1 1 359.392 2.414 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccc(C)o1 ZINC000194790470 548532343 /nfs/dbraw/zinc/53/23/43/548532343.db2.gz LVXUHTKAKIIHPM-NSHDSACASA-N -1 1 353.425 2.259 20 0 FEADMM CC1(C)COCCN1C(=O)c1cc(I)ccc1[O-] ZINC000195156323 548586471 /nfs/dbraw/zinc/58/64/71/548586471.db2.gz PYZQLTZFOSXWKB-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000195064475 548571524 /nfs/dbraw/zinc/57/15/24/548571524.db2.gz STGQMRJJVLUNCJ-AWEZNQCLSA-N -1 1 372.494 2.162 20 0 FEADMM COc1ccc(CCS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)cc1 ZINC000195160162 548586856 /nfs/dbraw/zinc/58/68/56/548586856.db2.gz NUNFPPJXPVYIHO-UHFFFAOYSA-N -1 1 363.464 2.482 20 0 FEADMM COc1ccc(CCS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)cc1 ZINC000195160162 548586861 /nfs/dbraw/zinc/58/68/61/548586861.db2.gz NUNFPPJXPVYIHO-UHFFFAOYSA-N -1 1 363.464 2.482 20 0 FEADMM COc1ccc(CCS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)cc1 ZINC000195160162 548586866 /nfs/dbraw/zinc/58/68/66/548586866.db2.gz NUNFPPJXPVYIHO-UHFFFAOYSA-N -1 1 363.464 2.482 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195171584 548589584 /nfs/dbraw/zinc/58/95/84/548589584.db2.gz SNAZQDICTZRFQP-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195171584 548589586 /nfs/dbraw/zinc/58/95/86/548589586.db2.gz SNAZQDICTZRFQP-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195171584 548589590 /nfs/dbraw/zinc/58/95/90/548589590.db2.gz SNAZQDICTZRFQP-MRVPVSSYSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195170834 548589630 /nfs/dbraw/zinc/58/96/30/548589630.db2.gz LOQZISWAMMBGTF-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195170834 548589635 /nfs/dbraw/zinc/58/96/35/548589635.db2.gz LOQZISWAMMBGTF-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM C[C@@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195170834 548589639 /nfs/dbraw/zinc/58/96/39/548589639.db2.gz LOQZISWAMMBGTF-QMMMGPOBSA-N -1 1 372.397 2.181 20 0 FEADMM CC(C)[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195457407 548643326 /nfs/dbraw/zinc/64/33/26/548643326.db2.gz HZBFMJQHUHWHMB-AWEZNQCLSA-N -1 1 367.437 2.129 20 0 FEADMM CC(C)C[C@@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000230903881 548762516 /nfs/dbraw/zinc/76/25/16/548762516.db2.gz BTYVNLPMLBUCQU-JTQLQIEISA-N -1 1 363.195 2.134 20 0 FEADMM O=C(N[C@H]1CCO[C@H]1C1CC1)c1cc(I)ccc1[O-] ZINC000236572993 548766661 /nfs/dbraw/zinc/76/66/61/548766661.db2.gz CQXOFAUBZLMYOK-AAEUAGOBSA-N -1 1 373.190 2.294 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)c1ccc(C)o1 ZINC000489556149 561414198 /nfs/dbraw/zinc/41/41/98/561414198.db2.gz WRWOXWSMUKJVEA-CQSZACIVSA-N -1 1 373.471 2.318 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(Cl)c1 ZINC000489751510 561418297 /nfs/dbraw/zinc/41/82/97/561418297.db2.gz LHFUTNDHVJLBTA-UHFFFAOYSA-N -1 1 366.782 2.334 20 0 FEADMM COc1cc(C(=O)N2CCC[C@@H](CCNC(C)=O)C2)cc(Cl)c1[O-] ZINC000489931215 561422715 /nfs/dbraw/zinc/42/27/15/561422715.db2.gz XGUGVXZLCKXMDU-LBPRGKRZSA-N -1 1 354.834 2.433 20 0 FEADMM Cc1cccc(Cl)c1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000489971542 561423655 /nfs/dbraw/zinc/42/36/55/561423655.db2.gz JQJDJVJMGIYZAZ-UHFFFAOYSA-N -1 1 354.815 2.183 20 0 FEADMM C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(N)=O ZINC000490105630 561426816 /nfs/dbraw/zinc/42/68/16/561426816.db2.gz XORFSUJXBFIRCQ-VFZGTOFNSA-N -1 1 372.368 2.040 20 0 FEADMM C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(N)=O ZINC000490105628 561426821 /nfs/dbraw/zinc/42/68/21/561426821.db2.gz XORFSUJXBFIRCQ-PSLIRLAXSA-N -1 1 372.368 2.040 20 0 FEADMM CCOc1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000490212028 561428790 /nfs/dbraw/zinc/42/87/90/561428790.db2.gz YSCINNSCQSNBHQ-UHFFFAOYSA-N -1 1 366.723 2.249 20 0 FEADMM CCC[C@H](NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C(=O)[O-] ZINC000262284711 549806279 /nfs/dbraw/zinc/80/62/79/549806279.db2.gz LWRVDNJKZLMOCC-JKSUJKDBSA-N -1 1 364.442 2.210 20 0 FEADMM COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000262656244 549835600 /nfs/dbraw/zinc/83/56/00/549835600.db2.gz MPPVTFINKISLRD-OLZOCXBDSA-N -1 1 364.442 2.066 20 0 FEADMM CCOc1ccc(NC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1OCC ZINC000263332835 549895377 /nfs/dbraw/zinc/89/53/77/549895377.db2.gz LWPBJWFVEDIAOU-KGLIPLIRSA-N -1 1 364.442 2.465 20 0 FEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000263435273 549900979 /nfs/dbraw/zinc/90/09/79/549900979.db2.gz ZSIYMHWYOOVJTM-GJZGRUSLSA-N -1 1 356.426 2.042 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000263577038 549910682 /nfs/dbraw/zinc/91/06/82/549910682.db2.gz RBDIPNYSWXZHOO-FZMZJTMJSA-N -1 1 367.243 2.351 20 0 FEADMM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000490743812 561438069 /nfs/dbraw/zinc/43/80/69/561438069.db2.gz HLQQPQAQQUWTTA-CQSZACIVSA-N -1 1 371.441 2.001 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000264203875 549992532 /nfs/dbraw/zinc/99/25/32/549992532.db2.gz VFRDFPPOVWWRHI-NSHDSACASA-N -1 1 354.410 2.068 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000268275838 550043498 /nfs/dbraw/zinc/04/34/98/550043498.db2.gz QBIXSVOWNBNSGS-INIZCTEOSA-N -1 1 370.453 2.369 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000268552002 550085995 /nfs/dbraw/zinc/08/59/95/550085995.db2.gz INAALSNGWZPRJG-UAGQMJEPSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)CO)c2)c1 ZINC000491836237 561447829 /nfs/dbraw/zinc/44/78/29/561447829.db2.gz YYDWIXLBMSFING-CQSZACIVSA-N -1 1 362.451 2.154 20 0 FEADMM COc1cc(NC(=O)N[C@H](C)c2ncc(C)o2)ccc1[N-]S(C)(=O)=O ZINC000492004423 561448755 /nfs/dbraw/zinc/44/87/55/561448755.db2.gz XRHRYXSRRUKDOO-SNVBAGLBSA-N -1 1 368.415 2.246 20 0 FEADMM CCOCCO[C@H]1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000269690721 550217280 /nfs/dbraw/zinc/21/72/80/550217280.db2.gz GLRCEPSBEONYKM-ZDUSSCGKSA-N -1 1 351.447 2.056 20 0 FEADMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccnc2C)ccc1OC ZINC000269707372 550219069 /nfs/dbraw/zinc/21/90/69/550219069.db2.gz OVMYKVORQIMMMX-UHFFFAOYSA-N -1 1 363.439 2.226 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000493966609 561460124 /nfs/dbraw/zinc/46/01/24/561460124.db2.gz BKHKDDUUOUYZTK-CQSZACIVSA-N -1 1 354.453 2.007 20 0 FEADMM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271536508 550383140 /nfs/dbraw/zinc/38/31/40/550383140.db2.gz UWDIPRDAHANBJQ-WCQYABFASA-N -1 1 374.434 2.110 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCC(=O)CC2)c1)OCC(F)(F)F ZINC000272357928 550440679 /nfs/dbraw/zinc/44/06/79/550440679.db2.gz YYOYEIZAGXYZPE-UHFFFAOYSA-N -1 1 360.288 2.308 20 0 FEADMM COc1ccc(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])cc1OC ZINC000273313104 550494135 /nfs/dbraw/zinc/49/41/35/550494135.db2.gz COEYAJRAZGKSCJ-AWEZNQCLSA-N -1 1 363.439 2.125 20 0 FEADMM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cccnc2)cc1 ZINC000273381161 550496470 /nfs/dbraw/zinc/49/64/70/550496470.db2.gz BCWXYNBHNMBHOC-UHFFFAOYSA-N -1 1 370.452 2.391 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000274785442 550554484 /nfs/dbraw/zinc/55/44/84/550554484.db2.gz WPWGJZKWZIWVOB-LBPRGKRZSA-N -1 1 370.833 2.411 20 0 FEADMM COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)CCCF ZINC000274930617 550565707 /nfs/dbraw/zinc/56/57/07/550565707.db2.gz CJNSHIHRTPVUOA-UHFFFAOYSA-N -1 1 370.196 2.257 20 0 FEADMM COc1ccc(NC(=O)N2CCSCC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000276874374 550605869 /nfs/dbraw/zinc/60/58/69/550605869.db2.gz YOTCYNVIVYJMBY-NSHDSACASA-N -1 1 373.500 2.426 20 0 FEADMM CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2csc(C(=O)OC)c2)n[nH]1 ZINC000276915052 550610541 /nfs/dbraw/zinc/61/05/41/550610541.db2.gz KKPFVFNSRHFLMB-DTWKUNHWSA-N -1 1 372.472 2.206 20 0 FEADMM Cc1noc(C[C@H]([N-]S(=O)(=O)c2c(C)noc2C)c2ccccc2)n1 ZINC000277038528 550624910 /nfs/dbraw/zinc/62/49/10/550624910.db2.gz OVSCYIPOITYJQY-AWEZNQCLSA-N -1 1 362.411 2.245 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3ccccc3O)CC2)n1 ZINC000277559718 550684545 /nfs/dbraw/zinc/68/45/45/550684545.db2.gz AEEVYXAPRRUAIE-UHFFFAOYSA-N -1 1 372.425 2.026 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3sccc3OC)CC2)n1 ZINC000277668702 550699240 /nfs/dbraw/zinc/69/92/40/550699240.db2.gz JRNIQZATRSZXPP-UHFFFAOYSA-N -1 1 364.427 2.071 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(COC)c3)CC2)n1 ZINC000277673040 550699637 /nfs/dbraw/zinc/69/96/37/550699637.db2.gz KAJWODMKBNAVFU-UHFFFAOYSA-N -1 1 372.425 2.148 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)n1 ZINC000277689994 550701814 /nfs/dbraw/zinc/70/18/14/550701814.db2.gz LDDSOGQMHINWAE-ZDUSSCGKSA-N -1 1 356.426 2.491 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@@H](C)CC1 ZINC000277730518 550707457 /nfs/dbraw/zinc/70/74/57/550707457.db2.gz HNWQYSONRURYNG-LBPRGKRZSA-N -1 1 358.467 2.449 20 0 FEADMM CCOc1ccccc1C(=O)N1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000495061199 561481905 /nfs/dbraw/zinc/48/19/05/561481905.db2.gz SGAHBQCPHFINQA-UHFFFAOYSA-N -1 1 369.421 2.093 20 0 FEADMM COC(=O)c1cnc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000278570153 550800082 /nfs/dbraw/zinc/80/00/82/550800082.db2.gz DLLSVBBJODHFNK-CYBMUJFWSA-N -1 1 374.466 2.026 20 0 FEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000278570153 550800084 /nfs/dbraw/zinc/80/00/84/550800084.db2.gz DLLSVBBJODHFNK-CYBMUJFWSA-N -1 1 374.466 2.026 20 0 FEADMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000278758447 550818809 /nfs/dbraw/zinc/81/88/09/550818809.db2.gz NWSOIVJYLPKQIC-QPUJVOFHSA-N -1 1 373.780 2.177 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ncon2)C(C)C)c(=O)[n-]1 ZINC000279136886 550857868 /nfs/dbraw/zinc/85/78/68/550857868.db2.gz FQDBDMRHHRIXFR-LBPRGKRZSA-N -1 1 351.432 2.042 20 0 FEADMM CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279322468 550877494 /nfs/dbraw/zinc/87/74/94/550877494.db2.gz MZBCVCLXORBTGZ-CNGOPUHISA-N -1 1 367.453 2.393 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)o1 ZINC000280275686 550975947 /nfs/dbraw/zinc/97/59/47/550975947.db2.gz ZXDPIBUGVOQTFZ-AWEZNQCLSA-N -1 1 362.451 2.434 20 0 FEADMM CCC[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H](O)c1ccccc1 ZINC000280473397 550997758 /nfs/dbraw/zinc/99/77/58/550997758.db2.gz NCXUWGALTOSHKM-OLZOCXBDSA-N -1 1 357.863 2.254 20 0 FEADMM CCOCCOCc1cccc(CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000280831906 551036945 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Cc1ccccc1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282564312 551246873 /nfs/dbraw/zinc/24/68/73/551246873.db2.gz KLGRTKBTABNGOE-UHFFFAOYSA-N -1 1 364.389 2.074 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CN(CCc2ccccc2)C(C)=O)c1 ZINC000282771940 551268825 /nfs/dbraw/zinc/26/88/25/551268825.db2.gz LNHSZTGNEIDGOZ-UHFFFAOYSA-N -1 1 370.405 2.209 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1 ZINC000282794473 551271087 /nfs/dbraw/zinc/27/10/87/551271087.db2.gz WSPKHNXMSODCSP-XHBSWPGZSA-N -1 1 370.471 2.175 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 ZINC000282833279 551275619 /nfs/dbraw/zinc/27/56/19/551275619.db2.gz QTIAOJWSJPVIGC-ZDUSSCGKSA-N -1 1 374.418 2.484 20 0 FEADMM Cc1ccc(-c2ocnc2C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282915820 551285044 /nfs/dbraw/zinc/28/50/44/551285044.db2.gz NHTMYZBYZOHNOJ-ZDUSSCGKSA-N -1 1 353.382 2.081 20 0 FEADMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000283001811 551295864 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FEADMM Cc1nc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c(Br)n1C ZINC000287061735 551958511 /nfs/dbraw/zinc/95/85/11/551958511.db2.gz XBBNTQQGMBGDQZ-UHFFFAOYSA-N -1 1 370.272 2.459 20 0 FEADMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287149763 551969595 /nfs/dbraw/zinc/96/95/95/551969595.db2.gz LTTFCXVCGIUGOY-LTEPJGITSA-N -1 1 357.389 2.379 20 0 FEADMM COC(=O)C(C)(C)CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000287609596 552024962 /nfs/dbraw/zinc/02/49/62/552024962.db2.gz RPBZCNGNRXTHMX-UHFFFAOYSA-N -1 1 373.427 2.113 20 0 FEADMM COc1cc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc(OC)c1OC ZINC000287721568 552038207 /nfs/dbraw/zinc/03/82/07/552038207.db2.gz SNKRNOVNJIRQNE-NSHDSACASA-N -1 1 359.378 2.478 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)ccnc1-2 ZINC000287766608 552043968 /nfs/dbraw/zinc/04/39/68/552043968.db2.gz VXLHIIFCDKDGDJ-JRATXJKFSA-N -1 1 367.453 2.266 20 0 FEADMM CCO[C@@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1Oc1ccccc1 ZINC000287790831 552047083 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ZINC000290266224 552451198 /nfs/dbraw/zinc/45/11/98/552451198.db2.gz BJDWJRQVOKTHMD-LLVKDONJSA-N -1 1 374.359 2.235 20 0 FEADMM CSc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccn1 ZINC000291202380 552599584 /nfs/dbraw/zinc/59/95/84/552599584.db2.gz UTYAXBVRQASREI-JTQLQIEISA-N -1 1 361.389 2.334 20 0 FEADMM COc1ccc([C@@H]2[C@@H](C(=O)[N-]OC/C=C/Cl)CCC(=O)N2C)cc1 ZINC000291745008 552657335 /nfs/dbraw/zinc/65/73/35/552657335.db2.gz GOBORRLAAOGMGB-KGMYJMAPSA-N -1 1 352.818 2.405 20 0 FEADMM COc1ccc([C@H]2[C@H](C(=O)[N-]OC/C=C/Cl)CCC(=O)N2C)cc1 ZINC000291745011 552657477 /nfs/dbraw/zinc/65/74/77/552657477.db2.gz GOBORRLAAOGMGB-SKEHHXLOSA-N -1 1 352.818 2.405 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cnc1C ZINC000291982078 552681478 /nfs/dbraw/zinc/68/14/78/552681478.db2.gz VGALCFULGPGMBF-UHFFFAOYSA-N -1 1 350.396 2.294 20 0 FEADMM Cc1cc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc(N2CCCC2)n1 ZINC000292020864 552685503 /nfs/dbraw/zinc/68/55/03/552685503.db2.gz ZZDNXBCVKGSXEI-UHFFFAOYSA-N -1 1 368.466 2.252 20 0 FEADMM C[C@H]1CCN(C(=O)c2cccc3[nH]ncc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000292159536 552699459 /nfs/dbraw/zinc/69/94/59/552699459.db2.gz CYDHTWSLDNDOKT-BHDSKKPTSA-N -1 1 368.359 2.481 20 0 FEADMM Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000293799935 552857498 /nfs/dbraw/zinc/85/74/98/552857498.db2.gz BYECMJDPBBNXOH-LBPRGKRZSA-N -1 1 353.382 2.081 20 0 FEADMM COCC(C)(C)N(C)C(=O)c1cc(I)ccc1[O-] ZINC000293880553 552864865 /nfs/dbraw/zinc/86/48/65/552864865.db2.gz FRRFFIQJRDEOND-UHFFFAOYSA-N -1 1 363.195 2.494 20 0 FEADMM C[N@H+]1CCC[C@@]2(CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3[O-])C2)C1 ZINC000293906687 552866828 /nfs/dbraw/zinc/86/68/28/552866828.db2.gz HMDBAVXFTCKUTK-LJQANCHMSA-N -1 1 358.417 2.275 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(=O)[n-]1 ZINC000294321698 552896847 /nfs/dbraw/zinc/89/68/47/552896847.db2.gz WZDFANOJBSCYNZ-GOSISDBHSA-N -1 1 364.515 2.089 20 0 FEADMM CC(C)Cn1ncc(NC(=O)CNC(=O)c2ncccc2[O-])c1C(C)C ZINC000501864970 561607119 /nfs/dbraw/zinc/60/71/19/561607119.db2.gz WVDDJQXZLWBKJC-UHFFFAOYSA-N -1 1 359.430 2.132 20 0 FEADMM N=c1nc(N2CCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)s[n-]1 ZINC000501900308 561607771 /nfs/dbraw/zinc/60/77/71/561607771.db2.gz OFOZNHZFAPVLKA-UHFFFAOYSA-N -1 1 373.413 2.482 20 0 FEADMM CCOC(=O)C1CCN(C(=O)CN(C)Cc2cccc([O-])c2Cl)CC1 ZINC000295317468 552986464 /nfs/dbraw/zinc/98/64/64/552986464.db2.gz LCTDOTZUDHLWOH-UHFFFAOYSA-N -1 1 368.861 2.279 20 0 FEADMM COc1ccc(C(=O)N2CCCC2)cc1[N-]S(=O)(=O)CCCCF ZINC000296058669 553097484 /nfs/dbraw/zinc/09/74/84/553097484.db2.gz UOKKWKDHHOXOER-UHFFFAOYSA-N -1 1 358.435 2.423 20 0 FEADMM Cc1cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cn2ccnc12 ZINC000502779929 561625377 /nfs/dbraw/zinc/62/53/77/561625377.db2.gz AERXRKHJBRTMLO-UHFFFAOYSA-N -1 1 350.382 2.189 20 0 FEADMM Cc1cccc2c(CCC(=O)Nc3nn[nH]c3C(=O)NC3CC3)c[nH]c21 ZINC000297837650 553345245 /nfs/dbraw/zinc/34/52/45/553345245.db2.gz WFRHAHTZYOWKRG-UHFFFAOYSA-N -1 1 352.398 2.058 20 0 FEADMM C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(O)cc3[O-])n2)C[C@@H](C)O1 ZINC000298168926 553393056 /nfs/dbraw/zinc/39/30/56/553393056.db2.gz ZEOVIUQQGKLYQX-GHMZBOCLSA-N -1 1 363.439 2.416 20 0 FEADMM Cn1[n-]c(CN2CCC(c3ccc(Br)cc3)CC2)nc1=O ZINC000503378154 561640281 /nfs/dbraw/zinc/64/02/81/561640281.db2.gz RGRQFKZICVJWBO-UHFFFAOYSA-N -1 1 351.248 2.251 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)o1 ZINC000298254213 553404271 /nfs/dbraw/zinc/40/42/71/553404271.db2.gz LGEVHPKLJBKCIJ-JTQLQIEISA-N -1 1 350.387 2.133 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C3(Cc4cccc(F)c4)CCOCC3)ccnc1-2 ZINC000298564012 553441211 /nfs/dbraw/zinc/44/12/11/553441211.db2.gz GQGOTIWMWXXPKT-ULJHMMPZSA-N -1 1 368.412 2.459 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c([O-])c1 ZINC000298632471 553451915 /nfs/dbraw/zinc/45/19/15/553451915.db2.gz CNSITZFQMKOCMH-UHFFFAOYSA-N -1 1 356.378 2.126 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OCC(C)C)o1 ZINC000298973346 553497387 /nfs/dbraw/zinc/49/73/87/553497387.db2.gz LPULKLXANIACQB-UHFFFAOYSA-N -1 1 352.412 2.475 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCOC)[C@@H](C)c2ccccc2)o1 ZINC000299408498 553559458 /nfs/dbraw/zinc/55/94/58/553559458.db2.gz YVAXLGXLRNCABD-ZDUSSCGKSA-N -1 1 366.439 2.038 20 0 FEADMM CCn1cc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cn1 ZINC000299561979 553581482 /nfs/dbraw/zinc/58/14/82/553581482.db2.gz ABZGYVZSSJGUEN-UHFFFAOYSA-N -1 1 352.398 2.340 20 0 FEADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCO1 ZINC000299610068 553588247 /nfs/dbraw/zinc/58/82/47/553588247.db2.gz OIRMJYFGKRFQAM-OAHLLOKOSA-N -1 1 356.426 2.123 20 0 FEADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000299627161 553591286 /nfs/dbraw/zinc/59/12/86/553591286.db2.gz FWRGYNDWHMIYIX-GDBMZVCRSA-N -1 1 350.390 2.252 20 0 FEADMM Cc1nc(-c2ccc(NCC3(CS(C)(=O)=O)CC3)nc2)[n-]c(=O)c1C ZINC000301753616 553677160 /nfs/dbraw/zinc/67/71/60/553677160.db2.gz WFQQSNVSRDGMKM-UHFFFAOYSA-N -1 1 362.455 2.098 20 0 FEADMM COC(=O)c1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000320869132 553765857 /nfs/dbraw/zinc/76/58/57/553765857.db2.gz RNYLQKGSKUQYLE-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000324489894 553772681 /nfs/dbraw/zinc/77/26/81/553772681.db2.gz OGNLRYKBGXUHMA-MBNYWOFBSA-N -1 1 357.476 2.326 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)C ZINC000324600425 553772933 /nfs/dbraw/zinc/77/29/33/553772933.db2.gz HJCITTMIWUOQPN-CQSZACIVSA-N -1 1 351.428 2.262 20 0 FEADMM CCn1cc(-c2nn(C)cc2C(=O)Nc2cc(C(=O)OC)ccc2[O-])cn1 ZINC000505748791 561679149 /nfs/dbraw/zinc/67/91/49/561679149.db2.gz AWMJGSFVNOOJQA-UHFFFAOYSA-N -1 1 369.381 2.048 20 0 FEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000506817084 561709195 /nfs/dbraw/zinc/70/91/95/561709195.db2.gz BBPRTAJMBKLFTE-UHFFFAOYSA-N -1 1 359.333 2.424 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2csc(-c3ccsc3)n2)n1 ZINC000506946508 561712378 /nfs/dbraw/zinc/71/23/78/561712378.db2.gz UTTZNXXZSGDZEX-UHFFFAOYSA-N -1 1 369.449 2.355 20 0 FEADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000507569803 561733839 /nfs/dbraw/zinc/73/38/39/561733839.db2.gz SGWQYVGKQNWUJA-UHFFFAOYSA-N -1 1 371.411 2.233 20 0 FEADMM COc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(OC(F)F)c1 ZINC000507872451 561743946 /nfs/dbraw/zinc/74/39/46/561743946.db2.gz JNEQJQPZYYMHBS-SECBINFHSA-N -1 1 369.324 2.405 20 0 FEADMM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1ccccc1Br ZINC000330566966 554138952 /nfs/dbraw/zinc/13/89/52/554138952.db2.gz AXXABBKFCDHUEX-SNVBAGLBSA-N -1 1 374.178 2.449 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508380058 561760668 /nfs/dbraw/zinc/76/06/68/561760668.db2.gz HFCVMAPTOGMAAQ-GFCCVEGCSA-N -1 1 361.829 2.260 20 0 FEADMM COc1cc(C(=O)N2CCC(Cn3ccnn3)CC2)cc(Cl)c1[O-] ZINC000331286042 554241638 /nfs/dbraw/zinc/24/16/38/554241638.db2.gz TYTXHGSGYXLLJN-UHFFFAOYSA-N -1 1 350.806 2.198 20 0 FEADMM CN(CCN1CCCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000331335549 554248297 /nfs/dbraw/zinc/24/82/97/554248297.db2.gz QCRBGYQSHYOCSL-UHFFFAOYSA-N -1 1 352.378 2.127 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000331510252 554277401 /nfs/dbraw/zinc/27/74/01/554277401.db2.gz XQTOJUMNHBXSHH-GFCCVEGCSA-N -1 1 367.243 2.239 20 0 FEADMM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1ccc(Br)o1 ZINC000331515246 554277762 /nfs/dbraw/zinc/27/77/62/554277762.db2.gz FSJMSCOVIUKGHZ-UHFFFAOYSA-N -1 1 374.260 2.096 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c1 ZINC000509102862 561784931 /nfs/dbraw/zinc/78/49/31/561784931.db2.gz JUOWVEZFHRAFCI-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM NC(=O)CCOc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC000509104108 561784950 /nfs/dbraw/zinc/78/49/50/561784950.db2.gz TZOKBGADGGNEJU-UHFFFAOYSA-N -1 1 371.418 2.290 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)cc(Cl)c1[O-] ZINC000331737092 554318887 /nfs/dbraw/zinc/31/88/87/554318887.db2.gz UHFZJLPRTDEKMU-NSHDSACASA-N -1 1 350.806 2.198 20 0 FEADMM CO[C@]1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1(C)C ZINC000331806940 554323283 /nfs/dbraw/zinc/32/32/83/554323283.db2.gz TWZHMZIEYZQXHR-SJKOYZFVSA-N -1 1 372.487 2.290 20 0 FEADMM COc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2nnc(C)[nH]2)cc(Cl)c1[O-] ZINC000331832989 554326969 /nfs/dbraw/zinc/32/69/69/554326969.db2.gz OFGIEHRKPATVEW-PWSUYJOCSA-N -1 1 366.805 2.083 20 0 FEADMM CO[C@@H](C)c1nc(=NC2CCN(C(=O)CC(F)(F)F)CC2)s[n-]1 ZINC000509693905 561810779 /nfs/dbraw/zinc/81/07/79/561810779.db2.gz RNIIUERRJHIBNE-QMMMGPOBSA-N -1 1 352.382 2.023 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC=C(c2ccccc2Cl)CC1 ZINC000509810374 561814797 /nfs/dbraw/zinc/81/47/97/561814797.db2.gz GRRMEWVMJAJYNH-UHFFFAOYSA-N -1 1 371.824 2.486 20 0 FEADMM Cc1ncc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000509889434 561817401 /nfs/dbraw/zinc/81/74/01/561817401.db2.gz ZRGJAFZRMLJDOK-UHFFFAOYSA-N -1 1 355.423 2.176 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(OC(F)F)c(Cl)c1 ZINC000509913368 561818472 /nfs/dbraw/zinc/81/84/72/561818472.db2.gz QWLWGHIXUWDPJN-UHFFFAOYSA-N -1 1 371.727 2.411 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCSc2ccc(F)cc21 ZINC000509949758 561819565 /nfs/dbraw/zinc/81/95/65/561819565.db2.gz SUWZXOVCGKZOHU-LBPRGKRZSA-N -1 1 361.398 2.009 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1CN1CCNC1=O ZINC000510082690 561824431 /nfs/dbraw/zinc/82/44/31/561824431.db2.gz GANCMJMOOSDDDE-UHFFFAOYSA-N -1 1 363.414 2.460 20 0 FEADMM Cc1cnc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000332539428 554467223 /nfs/dbraw/zinc/46/72/23/554467223.db2.gz JYHRBMLAKVNTBG-UHFFFAOYSA-N -1 1 373.840 2.276 20 0 FEADMM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1ccc(Br)o1 ZINC000332545715 554468829 /nfs/dbraw/zinc/46/88/29/554468829.db2.gz GCNLCRDPHIITBP-NSHDSACASA-N -1 1 368.249 2.254 20 0 FEADMM Cc1cc(N2CCC(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)n[nH]1 ZINC000333110947 554573672 /nfs/dbraw/zinc/57/36/72/554573672.db2.gz XMHJFZGLBDIKBL-UHFFFAOYSA-N -1 1 372.473 2.218 20 0 FEADMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc([C@H]4CCCOC4)n[nH]3)cn21 ZINC000333167068 554582767 /nfs/dbraw/zinc/58/27/67/554582767.db2.gz MYESHUJDRVWLPM-RYUDHWBXSA-N -1 1 365.459 2.198 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)N(C)C ZINC000531205809 562438111 /nfs/dbraw/zinc/43/81/11/562438111.db2.gz KTDQRMHKZYJEQK-SSDOTTSWSA-N -1 1 358.769 2.114 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@@]3(CNC(=O)C3)C2)n[n-]1)c1ccccc1 ZINC000333373982 554607402 /nfs/dbraw/zinc/60/74/02/554607402.db2.gz ALIPGVBRVAVKOK-FOIQADDNSA-N -1 1 351.454 2.756 20 0 FEADMM COc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000334091244 554677015 /nfs/dbraw/zinc/67/70/15/554677015.db2.gz GEVMMOLUDICWRD-PWSUYJOCSA-N -1 1 354.834 2.431 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cc(=O)[nH]c4ccccc43)no2)o1 ZINC000350375596 554784871 /nfs/dbraw/zinc/78/48/71/554784871.db2.gz ZVAUFUDPUCWKLK-UHFFFAOYSA-N -1 1 372.362 2.159 20 0 FEADMM CCOc1cc(-c2noc(C[C@@H]3CCS(=O)(=O)C3)n2)cc(Cl)c1[O-] ZINC000350775263 554812628 /nfs/dbraw/zinc/81/26/28/554812628.db2.gz GHMSQKCOOYHNKW-VIFPVBQESA-N -1 1 372.830 2.472 20 0 FEADMM CCOc1cc(-c2noc(CC(=O)N(C)C)n2)cc(Br)c1[O-] ZINC000350790101 554813507 /nfs/dbraw/zinc/81/35/07/554813507.db2.gz BZVQDIHLNXAIHX-UHFFFAOYSA-N -1 1 370.203 2.234 20 0 FEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1cccc(F)c1F ZINC000360132217 554864342 /nfs/dbraw/zinc/86/43/42/554864342.db2.gz WDJLRPOVEQBIIL-UHFFFAOYSA-N -1 1 350.350 2.024 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)o1 ZINC000361155046 554906594 /nfs/dbraw/zinc/90/65/94/554906594.db2.gz UGSAIFRHZQRWHZ-AWEZNQCLSA-N -1 1 366.464 2.118 20 0 FEADMM Cc1nccc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)n1 ZINC000363023190 555012170 /nfs/dbraw/zinc/01/21/70/555012170.db2.gz FKNMFFMWOQKLKJ-UHFFFAOYSA-N -1 1 372.406 2.290 20 0 FEADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc(-n2cnnn2)c1 ZINC000363178452 555047202 /nfs/dbraw/zinc/04/72/02/555047202.db2.gz ODWHAKYUGSYFSJ-UHFFFAOYSA-N -1 1 368.378 2.118 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)c1 ZINC000511884225 561883982 /nfs/dbraw/zinc/88/39/82/561883982.db2.gz JZWDWHJMHLEIBW-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM COc1ccc(C)cc1CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000511889264 561884282 /nfs/dbraw/zinc/88/42/82/561884282.db2.gz IURVOQPQILLJRH-UHFFFAOYSA-N -1 1 354.410 2.228 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCc1cc(Cl)c3c(c1)OCCO3)c2=O ZINC000511897806 561884582 /nfs/dbraw/zinc/88/45/82/561884582.db2.gz VPLQOPQQHUWIEG-UHFFFAOYSA-N -1 1 374.784 2.029 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)o1 ZINC000363418559 555101305 /nfs/dbraw/zinc/10/13/05/555101305.db2.gz PCEBUQUSSNEXID-KRWDZBQOSA-N -1 1 371.418 2.102 20 0 FEADMM COC(=O)c1cc2cc(NC(=O)c3cnc4n(C)[n-]cc-4c3=O)ccc2o1 ZINC000511911568 561885225 /nfs/dbraw/zinc/88/52/25/561885225.db2.gz UOMJXNGDYZMCDR-UHFFFAOYSA-N -1 1 366.333 2.459 20 0 FEADMM COc1ccc(NC(=O)[C@H]2COc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000363531036 555129732 /nfs/dbraw/zinc/12/97/32/555129732.db2.gz SWWMHZKZJAWPPF-ZDUSSCGKSA-N -1 1 362.407 2.181 20 0 FEADMM O=C(Nc1nncn1-c1ccccc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000512035707 561889771 /nfs/dbraw/zinc/88/97/71/561889771.db2.gz WRQGMYKEJNGLRA-UHFFFAOYSA-N -1 1 358.361 2.474 20 0 FEADMM CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512185289 561894983 /nfs/dbraw/zinc/89/49/83/561894983.db2.gz XLJCBIWJFQVDJS-LLVKDONJSA-N -1 1 362.430 2.256 20 0 FEADMM COCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364057273 555241845 /nfs/dbraw/zinc/24/18/45/555241845.db2.gz QZLQETCZIALFJV-QGZVFWFLSA-N -1 1 356.422 2.303 20 0 FEADMM O=C(NC[C@H]1CCCO1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364058590 555242628 /nfs/dbraw/zinc/24/26/28/555242628.db2.gz WMNUUSDKOVXTDU-CRAIPNDOSA-N -1 1 368.433 2.445 20 0 FEADMM CCc1nc(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cs1 ZINC000364166180 555261850 /nfs/dbraw/zinc/26/18/50/555261850.db2.gz IQXNVTAIAHSQPY-UHFFFAOYSA-N -1 1 369.450 2.018 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000364308279 555288591 /nfs/dbraw/zinc/28/85/91/555288591.db2.gz UQKZATITCXETNV-CVEARBPZSA-N -1 1 372.469 2.259 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N=c1cc([C@H]2C[C@@H]2C)[nH][nH]1 ZINC000616442550 555306235 /nfs/dbraw/zinc/30/62/35/555306235.db2.gz BBPMJQCQEKPXGU-GWCFXTLKSA-N -1 1 364.409 2.168 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)o1 ZINC000364491506 555323168 /nfs/dbraw/zinc/32/31/68/555323168.db2.gz KEAZYJXHPOHUTP-CQSZACIVSA-N -1 1 363.439 2.340 20 0 FEADMM Cc1ccc(F)c(-c2cc(=NC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)[nH][n-]2)c1 ZINC000364622281 555355294 /nfs/dbraw/zinc/35/52/94/555355294.db2.gz KBOOQWAPAVYSEZ-YHWZYXNKSA-N -1 1 357.385 2.704 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCSc2ccc(Cl)cc2)n1 ZINC000512589006 561909893 /nfs/dbraw/zinc/90/98/93/561909893.db2.gz YOKVXDQACXMOAC-UHFFFAOYSA-N -1 1 374.875 2.373 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)CCCSc2ccc(Cl)cc2)[n-]1 ZINC000512589006 561909894 /nfs/dbraw/zinc/90/98/94/561909894.db2.gz YOKVXDQACXMOAC-UHFFFAOYSA-N -1 1 374.875 2.373 20 0 FEADMM Cc1cccc(OC[C@@H](O)CNC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000512993685 561922002 /nfs/dbraw/zinc/92/20/02/561922002.db2.gz UMOIASCDASHMOK-AWEZNQCLSA-N -1 1 367.405 2.122 20 0 FEADMM Cc1cccc(OC[C@@H](O)CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000512993685 561922003 /nfs/dbraw/zinc/92/20/03/561922003.db2.gz UMOIASCDASHMOK-AWEZNQCLSA-N -1 1 367.405 2.122 20 0 FEADMM O=C(c1cc(Br)c(F)cc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000365289241 555533197 /nfs/dbraw/zinc/53/31/97/555533197.db2.gz NHQRIFTZQGHALV-ZETCQYMHSA-N -1 1 372.173 2.260 20 0 FEADMM CN1C(=O)CC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@H]1c1cccs1 ZINC000365417422 555569993 /nfs/dbraw/zinc/56/99/93/555569993.db2.gz AYHYUDQUNBRHIQ-XVKPBYJWSA-N -1 1 373.360 2.433 20 0 FEADMM CCCCCCOCC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000365605014 555620150 /nfs/dbraw/zinc/62/01/50/555620150.db2.gz WFXHDUUOBPUFLC-UHFFFAOYSA-N -1 1 366.462 2.284 20 0 FEADMM C[C@@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@H](c2ccsc2)O1 ZINC000365758783 555661638 /nfs/dbraw/zinc/66/16/38/555661638.db2.gz FVJSHTKFEAAANE-IABMGJKCSA-N -1 1 357.439 2.397 20 0 FEADMM CCOC1CC(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000365895512 555694456 /nfs/dbraw/zinc/69/44/56/555694456.db2.gz NZZUKQXGTYQNPT-ZPPKWKGLSA-N -1 1 353.785 2.013 20 0 FEADMM COc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c(C)n1 ZINC000366022283 555729591 /nfs/dbraw/zinc/72/95/91/555729591.db2.gz AYRYEMSXUCEHII-UHFFFAOYSA-N -1 1 365.393 2.034 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)COc2cccc(C)c2)c1 ZINC000513795602 561950067 /nfs/dbraw/zinc/95/00/67/561950067.db2.gz JAESOZLXMZQZJB-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1 ZINC000513848425 561952234 /nfs/dbraw/zinc/95/22/34/561952234.db2.gz HFURRTIREYPRQJ-NSHDSACASA-N -1 1 357.771 2.132 20 0 FEADMM CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)co1)Oc1ccccc1F ZINC000513845074 561952406 /nfs/dbraw/zinc/95/24/06/561952406.db2.gz LBDYSHQRXNRYKQ-LBPRGKRZSA-N -1 1 371.386 2.341 20 0 FEADMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1(C)C ZINC000513850431 561952453 /nfs/dbraw/zinc/95/24/53/561952453.db2.gz URYINIQWRLMMRR-QWHCGFSZSA-N -1 1 359.444 2.328 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000513848884 561952519 /nfs/dbraw/zinc/95/25/19/561952519.db2.gz PBVWWACYFCNAMU-SNVBAGLBSA-N -1 1 373.814 2.465 20 0 FEADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000366548189 555873727 /nfs/dbraw/zinc/87/37/27/555873727.db2.gz RTBTYZZHFHKLQD-BMIGLBTASA-N -1 1 356.216 2.175 20 0 FEADMM CN(C(=O)c1cncc([O-])c1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000367354638 556026603 /nfs/dbraw/zinc/02/66/03/556026603.db2.gz SCTDEYVECJTVCR-UHFFFAOYSA-N -1 1 363.421 2.471 20 0 FEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)CCCC1 ZINC000514698420 561974595 /nfs/dbraw/zinc/97/45/95/561974595.db2.gz OINXPJKXEJHOKB-UHFFFAOYSA-N -1 1 351.428 2.346 20 0 FEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCn2nccc21 ZINC000367498461 556066949 /nfs/dbraw/zinc/06/69/49/556066949.db2.gz UDXPKQQQJRWZPR-UHFFFAOYSA-N -1 1 368.418 2.344 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC[C@@H]1c1cccc(Br)c1 ZINC000367723876 556123590 /nfs/dbraw/zinc/12/35/90/556123590.db2.gz UHFPWNRCKBQRKN-LLVKDONJSA-N -1 1 372.244 2.463 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000367700093 556117765 /nfs/dbraw/zinc/11/77/65/556117765.db2.gz AYKNRLDIIHLLQY-YPMHNXCESA-N -1 1 371.846 2.275 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000367700093 556117768 /nfs/dbraw/zinc/11/77/68/556117768.db2.gz AYKNRLDIIHLLQY-YPMHNXCESA-N -1 1 371.846 2.275 20 0 FEADMM O=c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2)n[nH]1 ZINC000367868971 556159992 /nfs/dbraw/zinc/15/99/92/556159992.db2.gz IHSRMJZQJKIIBF-UHFFFAOYSA-N -1 1 371.374 2.379 20 0 FEADMM Cc1nc(-c2ccc(N3CC[C@@H](C(=O)N4CCCC4)C3)nc2)[n-]c(=O)c1C ZINC000367900433 556168016 /nfs/dbraw/zinc/16/80/16/556168016.db2.gz AZUIWHZMFJHDST-MRXNPFEDSA-N -1 1 367.453 2.310 20 0 FEADMM Cn1cc([C@H]2[C@@H](CN=c3[n-]nc(-c4ccccn4)s3)CCCN2C)cn1 ZINC000368180795 556240030 /nfs/dbraw/zinc/24/00/30/556240030.db2.gz PPBLQOCFJNEWTJ-CZUORRHYSA-N -1 1 369.498 2.829 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cnc(-c2ncccn2)s1 ZINC000368392188 556295326 /nfs/dbraw/zinc/29/53/26/556295326.db2.gz HGWWNSMGXPYZDA-UHFFFAOYSA-N -1 1 350.367 2.033 20 0 FEADMM Cc1noc(C)c1CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368500924 556327673 /nfs/dbraw/zinc/32/76/73/556327673.db2.gz FKRQUIZWAPBGLW-AWEZNQCLSA-N -1 1 364.768 2.045 20 0 FEADMM O=C(CCc1ccncc1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368500591 556327703 /nfs/dbraw/zinc/32/77/03/556327703.db2.gz CYKPGXBPRKWYIW-HNNXBMFYSA-N -1 1 360.780 2.226 20 0 FEADMM Cc1nc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cs1 ZINC000368503902 556329553 /nfs/dbraw/zinc/32/95/53/556329553.db2.gz RYAGDXCPAPIDNQ-CYBMUJFWSA-N -1 1 366.809 2.205 20 0 FEADMM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccnc2)n1 ZINC000368532234 556337798 /nfs/dbraw/zinc/33/77/98/556337798.db2.gz DQSSNXNLGXFECW-LLVKDONJSA-N -1 1 360.395 2.180 20 0 FEADMM CCOc1cc(C(=O)N[C@@H](C(=O)OC)c2cccnc2)cc(Cl)c1[O-] ZINC000515360434 562007050 /nfs/dbraw/zinc/00/70/50/562007050.db2.gz LUECAKJHUAISPR-CQSZACIVSA-N -1 1 364.785 2.483 20 0 FEADMM Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC000515676960 562019104 /nfs/dbraw/zinc/01/91/04/562019104.db2.gz DDLPGVOJTJYOPC-LBPRGKRZSA-N -1 1 371.372 2.428 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]1c1cccnc1 ZINC000369022194 556479218 /nfs/dbraw/zinc/47/92/18/556479218.db2.gz VNPUEVWSMNCGBB-INIZCTEOSA-N -1 1 351.410 2.353 20 0 FEADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369092807 556503364 /nfs/dbraw/zinc/50/33/64/556503364.db2.gz QXNJAYGVQZDBSE-QQXLSSBLSA-N -1 1 365.796 2.203 20 0 FEADMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1[O-] ZINC000369376531 556584623 /nfs/dbraw/zinc/58/46/23/556584623.db2.gz WQSFOFYUTXHQGR-ABAIWWIYSA-N -1 1 356.216 2.223 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc(Br)s3)ccnc1-2 ZINC000806488436 674378752 /nfs/dbraw/zinc/37/87/52/674378752.db2.gz OUDVPRRAWKGKQG-UHFFFAOYSA-N -1 1 366.244 2.488 20 0 FEADMM CC(C)Cn1cnnc1[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000369538409 556625295 /nfs/dbraw/zinc/62/52/95/556625295.db2.gz CPSRLKGOMXXJMX-OAHLLOKOSA-N -1 1 366.425 2.148 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](Oc2cccnc2C)C1 ZINC000369597059 556642338 /nfs/dbraw/zinc/64/23/38/556642338.db2.gz MEOQXXLLZDOBBK-GFCCVEGCSA-N -1 1 360.439 2.209 20 0 FEADMM CCC[C@@H](NC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1)c1nn[n-]n1 ZINC000369835780 556708044 /nfs/dbraw/zinc/70/80/44/556708044.db2.gz PKBHLMCMRUFJMP-GDBMZVCRSA-N -1 1 365.441 2.283 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(=O)c1cccs1 ZINC000371261104 557123555 /nfs/dbraw/zinc/12/35/55/557123555.db2.gz UWXBAPVHLUBCSH-UHFFFAOYSA-N -1 1 368.418 2.156 20 0 FEADMM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000371298587 557136473 /nfs/dbraw/zinc/13/64/73/557136473.db2.gz XPEUBPFBDRDMBZ-IKGGRYGDSA-N -1 1 355.442 2.382 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)c1 ZINC000517638154 562094360 /nfs/dbraw/zinc/09/43/60/562094360.db2.gz HWSSSCAWGINNIZ-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000517918369 562100803 /nfs/dbraw/zinc/10/08/03/562100803.db2.gz IAPOHJHEGQWMRM-GOEBONIOSA-N -1 1 362.474 2.445 20 0 FEADMM CCCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)CC1 ZINC000371853611 557311970 /nfs/dbraw/zinc/31/19/70/557311970.db2.gz SALDSRAJKHIGRQ-UHFFFAOYSA-N -1 1 354.472 2.054 20 0 FEADMM CCOCCCc1noc(Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000371940809 557334211 /nfs/dbraw/zinc/33/42/11/557334211.db2.gz CSEJXNLLONWNTP-UHFFFAOYSA-N -1 1 355.398 2.496 20 0 FEADMM Cc1cnc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)nc1 ZINC000371970407 557343268 /nfs/dbraw/zinc/34/32/68/557343268.db2.gz CHJIBUSRJZXLGG-UHFFFAOYSA-N -1 1 361.365 2.292 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2cccc(F)c2O[C@H]1C ZINC000371978766 557345229 /nfs/dbraw/zinc/34/52/29/557345229.db2.gz JEJAYHUNARGMEL-KWQFWETISA-N -1 1 359.810 2.322 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1 ZINC000519123163 562125408 /nfs/dbraw/zinc/12/54/08/562125408.db2.gz BHMIOWSLCPSYEC-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)[nH]n2)cc1C ZINC000372506903 557488641 /nfs/dbraw/zinc/48/86/41/557488641.db2.gz XYUQWTZZLCBVNS-AWEZNQCLSA-N -1 1 351.414 2.226 20 0 FEADMM O=C(N=c1nc(Cc2cccc(F)c2)[nH][n-]1)c1ccn(C2CCOCC2)n1 ZINC000627785036 557498139 /nfs/dbraw/zinc/49/81/39/557498139.db2.gz UJPGMUNNESYAIP-UHFFFAOYSA-N -1 1 370.388 2.335 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)[C@H]2CCCCN12 ZINC000519688830 562140036 /nfs/dbraw/zinc/14/00/36/562140036.db2.gz YDDFVHBVEZJOCT-QWHCGFSZSA-N -1 1 352.387 2.004 20 0 FEADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)[C@@H]2CCCCN12 ZINC000519688831 562140069 /nfs/dbraw/zinc/14/00/69/562140069.db2.gz YDDFVHBVEZJOCT-STQMWFEESA-N -1 1 352.387 2.004 20 0 FEADMM Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000373749325 557751181 /nfs/dbraw/zinc/75/11/81/557751181.db2.gz AGJFKAHEYKSQFG-GFCCVEGCSA-N -1 1 374.788 2.030 20 0 FEADMM CN1CCC2(CCN(C(=O)c3cc(Br)ccc3[O-])CC2)C1=O ZINC000373903253 557783409 /nfs/dbraw/zinc/78/34/09/557783409.db2.gz CRWAYVJZJHSXFD-UHFFFAOYSA-N -1 1 367.243 2.239 20 0 FEADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000374048015 557813688 /nfs/dbraw/zinc/81/36/88/557813688.db2.gz BSTMKIZVFDBDHP-KNPMLCFXSA-N -1 1 358.442 2.076 20 0 FEADMM CC(=O)N1C[C@@H](CCC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c2ccccc21 ZINC000374652117 557912233 /nfs/dbraw/zinc/91/22/33/557912233.db2.gz FCPLHOBWLWQTQF-RYPAHKROSA-N -1 1 363.421 2.211 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)[C@@H]3CCn4c(cnc4-c4ccccc4)C3)ccnc1-2 ZINC000374708394 557919617 /nfs/dbraw/zinc/91/96/17/557919617.db2.gz YTSHELSHOMEGCI-VKEPEHDUSA-N -1 1 372.432 2.406 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3nc(C)sc32)o1 ZINC000374809830 557934632 /nfs/dbraw/zinc/93/46/32/557934632.db2.gz URVWMSQDPOZRBF-JTQLQIEISA-N -1 1 356.425 2.187 20 0 FEADMM Cc1nc([C@@H]2CCCCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)no1 ZINC000374841979 557939204 /nfs/dbraw/zinc/93/92/04/557939204.db2.gz GRROCBBHCCNPFL-AWEZNQCLSA-N -1 1 353.382 2.372 20 0 FEADMM Cc1nc(CO[C@@H]2CCN(CC(=O)[N-]OCc3ccccc3)C2)cs1 ZINC000374933029 557953275 /nfs/dbraw/zinc/95/32/75/557953275.db2.gz UIIVAKVMGDDJDH-QGZVFWFLSA-N -1 1 361.467 2.290 20 0 FEADMM CCOC(=O)c1c[n-]n(C2CCN(Cc3cnoc3C3CC3)CC2)c1=N ZINC000374987373 557960031 /nfs/dbraw/zinc/96/00/31/557960031.db2.gz LJOLXTPWWWBQSP-UHFFFAOYSA-N -1 1 359.430 2.175 20 0 FEADMM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000375009397 557963526 /nfs/dbraw/zinc/96/35/26/557963526.db2.gz WCEQVKPEJYBALF-KGLIPLIRSA-N -1 1 361.405 2.117 20 0 FEADMM C/C=C\c1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000521497435 562177713 /nfs/dbraw/zinc/17/77/13/562177713.db2.gz HBXHRDBLILOZLS-RQOWECAXSA-N -1 1 352.437 2.168 20 0 FEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375578148 558051645 /nfs/dbraw/zinc/05/16/45/558051645.db2.gz NZGLIQVJWGKRJD-XJKSGUPXSA-N -1 1 366.483 2.223 20 0 FEADMM CO[C@@H](C)c1nsc(=N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)[n-]1 ZINC000375695247 558068685 /nfs/dbraw/zinc/06/86/85/558068685.db2.gz AUAYRCYFHDWVHQ-JQWIXIFHSA-N -1 1 364.475 2.004 20 0 FEADMM CO[C@H](C)c1nc(=NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)s[n-]1 ZINC000375697532 558069106 /nfs/dbraw/zinc/06/91/06/558069106.db2.gz NUWQBGWUTNKYBF-HIFRSBDPSA-N -1 1 360.483 2.171 20 0 FEADMM Cc1nc([C@H]2COCCN2C(=O)c2ccc(Br)cc2[O-])no1 ZINC000375831656 558086254 /nfs/dbraw/zinc/08/62/54/558086254.db2.gz OKRGMYAXBZQZMZ-LLVKDONJSA-N -1 1 368.187 2.060 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000521559678 562178669 /nfs/dbraw/zinc/17/86/69/562178669.db2.gz GCCJZTNOHBHJJA-UHFFFAOYSA-N -1 1 361.423 2.060 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](F)(c3cccc(C)c3)C2)co1 ZINC000375859491 558090176 /nfs/dbraw/zinc/09/01/76/558090176.db2.gz ZREJDKOOFVIQRW-QGZVFWFLSA-N -1 1 366.414 2.207 20 0 FEADMM COc1ccsc1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000521575203 562178972 /nfs/dbraw/zinc/17/89/72/562178972.db2.gz OFCJITFRBNOIKO-UHFFFAOYSA-N -1 1 356.425 2.389 20 0 FEADMM O=C(Cc1ccccc1)N1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000375996633 558111660 /nfs/dbraw/zinc/11/16/60/558111660.db2.gz VYUXAEBIKLUXLW-ZDUSSCGKSA-N -1 1 360.360 2.244 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000376323540 558157966 /nfs/dbraw/zinc/15/79/66/558157966.db2.gz QLRZNCPUSKTTDA-PELKAZGASA-N -1 1 359.810 2.322 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CCC[C@@H]3COc3ccccc3)ccnc1-2 ZINC000376590474 558194697 /nfs/dbraw/zinc/19/46/97/558194697.db2.gz WFDSHIRBJIEYCP-CHOFAJOMSA-N -1 1 351.410 2.417 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3Cc4ccccc4[C@@H](n4cccn4)C3)ccnc1-2 ZINC000376620580 558199007 /nfs/dbraw/zinc/19/90/07/558199007.db2.gz GLSLQYKCVSNVNB-SNFPTOCBSA-N -1 1 373.420 2.175 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)NC3CC(OCc4ccccc4)C3)ccnc1-2 ZINC000376645336 558202454 /nfs/dbraw/zinc/20/24/54/558202454.db2.gz WAVMLXPHIDJPCR-QJOMJCCJSA-N -1 1 351.410 2.211 20 0 FEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000377734701 558407954 /nfs/dbraw/zinc/40/79/54/558407954.db2.gz OFALIDBDPDPCNK-UHFFFAOYSA-N -1 1 373.434 2.040 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)cnc2n1 ZINC000522601897 562200229 /nfs/dbraw/zinc/20/02/29/562200229.db2.gz YGTAVIQNWFLIRZ-NSHDSACASA-N -1 1 368.359 2.258 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)c[n-]c2n1 ZINC000522601897 562200230 /nfs/dbraw/zinc/20/02/30/562200230.db2.gz YGTAVIQNWFLIRZ-NSHDSACASA-N -1 1 368.359 2.258 20 0 FEADMM COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCc4[nH]cnc4C3)s[n-]2)c1 ZINC000377841653 558433082 /nfs/dbraw/zinc/43/30/82/558433082.db2.gz CMUQDIJUGWOIPC-LLVKDONJSA-N -1 1 370.438 2.038 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000377914196 558447199 /nfs/dbraw/zinc/44/71/99/558447199.db2.gz UKUGYPOVTXWRNN-CALCHBBNSA-N -1 1 372.446 2.491 20 0 FEADMM O=C(Cc1ccc(Br)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000522853938 562204882 /nfs/dbraw/zinc/20/48/82/562204882.db2.gz LZYLAZRDUZZGNB-UHFFFAOYSA-N -1 1 350.220 2.090 20 0 FEADMM COc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccc1OCC(C)C ZINC000522927830 562206171 /nfs/dbraw/zinc/20/61/71/562206171.db2.gz FGCHFTVSLDIDGO-UHFFFAOYSA-N -1 1 359.430 2.442 20 0 FEADMM CC(C)c1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(O)c(C(C)C)c1 ZINC000378358036 558538318 /nfs/dbraw/zinc/53/83/18/558538318.db2.gz DYEXRDGKEGGECH-OAHLLOKOSA-N -1 1 359.430 2.366 20 0 FEADMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000378519750 558574101 /nfs/dbraw/zinc/57/41/01/558574101.db2.gz VNOZOWYTRIMCEU-INIZCTEOSA-N -1 1 371.414 2.459 20 0 FEADMM COCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000379595834 558601724 /nfs/dbraw/zinc/60/17/24/558601724.db2.gz LKIMMZJQFOGNJK-QMMMGPOBSA-N -1 1 362.662 2.323 20 0 FEADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000390998495 558613148 /nfs/dbraw/zinc/61/31/48/558613148.db2.gz CMQVLJLWQMCICT-VIFPVBQESA-N -1 1 354.815 2.184 20 0 FEADMM C[C@H]1CC[C@@H](CNC(=O)c2cc(I)ccc2[O-])O1 ZINC000398080575 558625931 /nfs/dbraw/zinc/62/59/31/558625931.db2.gz RLUZWKQUHLFZDP-WPRPVWTQSA-N -1 1 361.179 2.294 20 0 FEADMM CC1(C)Cc2ccc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)c(O)c2O1 ZINC000408410339 558674453 /nfs/dbraw/zinc/67/44/53/558674453.db2.gz OGOUMQVNCWXUTQ-NSHDSACASA-N -1 1 359.382 2.214 20 0 FEADMM C[C@@H](N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000524538498 562230114 /nfs/dbraw/zinc/23/01/14/562230114.db2.gz DMRVFMRWTZTWHM-SNVBAGLBSA-N -1 1 366.480 2.252 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)s1 ZINC000410177008 558743825 /nfs/dbraw/zinc/74/38/25/558743825.db2.gz PLZBEQKNVQAIRZ-RKDXNWHRSA-N -1 1 369.411 2.363 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000410283450 558749695 /nfs/dbraw/zinc/74/96/95/558749695.db2.gz GJFLCZQMYCLTPH-GFCCVEGCSA-N -1 1 358.442 2.781 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c1 ZINC000410415203 558755999 /nfs/dbraw/zinc/75/59/99/558755999.db2.gz CZLBRMVKZPBBIN-UHFFFAOYSA-N -1 1 360.391 2.011 20 0 FEADMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000525330857 562246251 /nfs/dbraw/zinc/24/62/51/562246251.db2.gz NIKHTWUMZAVPCB-UHFFFAOYSA-N -1 1 362.432 2.439 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C[C@@H](C)O1 ZINC000525414099 562247839 /nfs/dbraw/zinc/24/78/39/562247839.db2.gz RPFMJGKOIRZYDR-YPMHNXCESA-N -1 1 371.459 2.098 20 0 FEADMM CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@H](C)O ZINC000412375410 559031849 /nfs/dbraw/zinc/03/18/49/559031849.db2.gz GMBJTLJUXGPZFU-KKXDTOCCSA-N -1 1 370.449 2.426 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(c3cccc(Cl)c3)C2)o1 ZINC000412392520 559032987 /nfs/dbraw/zinc/03/29/87/559032987.db2.gz FBSIZBUNVMZEOM-UHFFFAOYSA-N -1 1 354.815 2.081 20 0 FEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000526035978 562264628 /nfs/dbraw/zinc/26/46/28/562264628.db2.gz CJJVLSLMUDDZCD-UHFFFAOYSA-N -1 1 367.448 2.134 20 0 FEADMM CO[C@](C)([C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000412616137 559046778 /nfs/dbraw/zinc/04/67/78/559046778.db2.gz RTYXAKXQRRVXCV-PIGZYNQJSA-N -1 1 372.487 2.290 20 0 FEADMM COC(=O)[C@H]1CSCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000412956055 559067079 /nfs/dbraw/zinc/06/70/79/559067079.db2.gz VZESJLWHVVIDGK-SECBINFHSA-N -1 1 374.256 2.133 20 0 FEADMM Cc1cc(C)n(-c2ccc(CCN=c3ccc(C(=O)N(C)C)n[n-]3)cc2)n1 ZINC000413052423 559072926 /nfs/dbraw/zinc/07/29/26/559072926.db2.gz HQEOBQOWBGXGGC-UHFFFAOYSA-N -1 1 364.453 2.636 20 0 FEADMM Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000527045843 562274386 /nfs/dbraw/zinc/27/43/86/562274386.db2.gz DNBQQKVNWIFQQT-UHFFFAOYSA-N -1 1 373.367 2.171 20 0 FEADMM O=C([O-])CCCCCNC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000414635163 559176584 /nfs/dbraw/zinc/17/65/84/559176584.db2.gz ZOHIWWQWUNMJKL-UHFFFAOYSA-N -1 1 369.506 2.213 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1=O ZINC000414650267 559177210 /nfs/dbraw/zinc/17/72/10/559177210.db2.gz FGYAGEZBKAZYMT-KBPBESRZSA-N -1 1 374.359 2.385 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2ccccc2OC(F)F)C1=O ZINC000414656711 559177543 /nfs/dbraw/zinc/17/75/43/559177543.db2.gz LAFHMILXRDQEGP-GXTWGEPZSA-N -1 1 356.369 2.088 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccc(OCC3CC3)cc2)C1=O ZINC000414666533 559178415 /nfs/dbraw/zinc/17/84/15/559178415.db2.gz VIUMVVFOZGKXDZ-ROUUACIJSA-N -1 1 360.454 2.275 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000415387211 559229793 /nfs/dbraw/zinc/22/97/93/559229793.db2.gz XUTQBUVFHHINHY-ZDUSSCGKSA-N -1 1 357.410 2.880 20 0 FEADMM COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000527196093 562279722 /nfs/dbraw/zinc/27/97/22/562279722.db2.gz UMRUYZHYSUIDRW-GFCCVEGCSA-N -1 1 371.817 2.239 20 0 FEADMM CCOC(=O)c1cnc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)[n-]1 ZINC000415636438 559257197 /nfs/dbraw/zinc/25/71/97/559257197.db2.gz LBYUEEIFNADSFH-LLVKDONJSA-N -1 1 350.419 2.000 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)n1 ZINC000415636438 559257198 /nfs/dbraw/zinc/25/71/98/559257198.db2.gz LBYUEEIFNADSFH-LLVKDONJSA-N -1 1 350.419 2.000 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OC3CCOCC3)cc2)n1 ZINC000415644788 559257795 /nfs/dbraw/zinc/25/77/95/559257795.db2.gz GSHOTRGEOZRKAP-UHFFFAOYSA-N -1 1 359.382 2.397 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000416149984 559294540 /nfs/dbraw/zinc/29/45/40/559294540.db2.gz YUNTVUOZRDQFRJ-PSASIEDQSA-N -1 1 369.299 2.201 20 0 FEADMM C[C@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)[C@@H](C)S(C)(=O)=O ZINC000416180731 559296648 /nfs/dbraw/zinc/29/66/48/559296648.db2.gz QBSNOOIVMQWDHX-JGVFFNPUSA-N -1 1 361.876 2.799 20 0 FEADMM COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000416562858 559322073 /nfs/dbraw/zinc/32/20/73/559322073.db2.gz XCGGANKBUKCWCV-LBPRGKRZSA-N -1 1 357.378 2.028 20 0 FEADMM O=S(=O)([N-][C@H](CO)[C@H]1CCCOC1)c1c(Cl)cc(F)cc1Cl ZINC000416608805 559324963 /nfs/dbraw/zinc/32/49/63/559324963.db2.gz LENTYASDSCZGTN-QPUJVOFHSA-N -1 1 372.245 2.198 20 0 FEADMM CC(=O)[C@@H]([N-]S(=O)(=O)CCc1scnc1C)c1ccccc1F ZINC000416655819 559327998 /nfs/dbraw/zinc/32/79/98/559327998.db2.gz XCPWSPAORZZPIJ-OAHLLOKOSA-N -1 1 356.444 2.383 20 0 FEADMM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1Cl)C1(O)CCOCC1 ZINC000416666226 559328610 /nfs/dbraw/zinc/32/86/10/559328610.db2.gz VNHKVVMFQUOAFY-UHFFFAOYSA-N -1 1 365.854 2.325 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2CCCC[C@H]2F)ccc1[N-]S(C)(=O)=O ZINC000416818162 559333706 /nfs/dbraw/zinc/33/37/06/559333706.db2.gz KNANBRABEDOJER-VXGBXAGGSA-N -1 1 359.423 2.469 20 0 FEADMM COc1c(Br)cccc1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417598175 559368883 /nfs/dbraw/zinc/36/88/83/559368883.db2.gz XSIUDTWWGNPAHL-GFCCVEGCSA-N -1 1 354.204 2.107 20 0 FEADMM CC[C@H](CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1)OC ZINC000420674810 559497118 /nfs/dbraw/zinc/49/71/18/559497118.db2.gz IURMVIQKUIXZSQ-GFCCVEGCSA-N -1 1 359.835 2.234 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1)OC ZINC000420693363 559498451 /nfs/dbraw/zinc/49/84/51/559498451.db2.gz UDQDNTXOKPBYTO-UONOGXRCSA-N -1 1 373.862 2.465 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1)OC ZINC000420698134 559498890 /nfs/dbraw/zinc/49/88/90/559498890.db2.gz QBJBRGVNFJBQDT-LSDHHAIUSA-N -1 1 357.472 2.414 20 0 FEADMM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000422024320 559561218 /nfs/dbraw/zinc/56/12/18/559561218.db2.gz YSSIRBHTMQMCRO-RHSMWYFYSA-N -1 1 374.462 2.473 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@]12CCOC2 ZINC000422069973 559563721 /nfs/dbraw/zinc/56/37/21/559563721.db2.gz LVLXXEUGTLABIM-CYBMUJFWSA-N -1 1 359.163 2.002 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000422084478 559564206 /nfs/dbraw/zinc/56/42/06/559564206.db2.gz YRKMVFNWKKGISU-UHFFFAOYSA-N -1 1 350.444 2.786 20 0 FEADMM O=C(c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1)N1CCCC1 ZINC000424070430 559653624 /nfs/dbraw/zinc/65/36/24/559653624.db2.gz XQZNAEVJYJLXRB-UHFFFAOYSA-N -1 1 352.456 2.091 20 0 FEADMM CC(C)C[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000424389896 559662655 /nfs/dbraw/zinc/66/26/55/559662655.db2.gz MIGBHWFOHLQBNU-HOCLYGCPSA-N -1 1 353.438 2.475 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2nccn2C)C(C)(C)CO)c(F)c1 ZINC000425184454 559689961 /nfs/dbraw/zinc/68/99/61/559689961.db2.gz IWRJKYLDPZIAQG-CQSZACIVSA-N -1 1 373.425 2.045 20 0 FEADMM C[C@@H](N=c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)n[n-]1)c1ccccc1 ZINC000425239119 559692960 /nfs/dbraw/zinc/69/29/60/559692960.db2.gz KBMNXVRGHPKEQT-GDBMZVCRSA-N -1 1 360.483 2.663 20 0 FEADMM CCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425309270 559696124 /nfs/dbraw/zinc/69/61/24/559696124.db2.gz VTCONMMZWUWGHG-OAHLLOKOSA-N -1 1 372.425 2.277 20 0 FEADMM Cc1ccn(-c2ccccc2C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000425314818 559696223 /nfs/dbraw/zinc/69/62/23/559696223.db2.gz AAKZMXVGSAXSFY-UHFFFAOYSA-N -1 1 353.382 2.289 20 0 FEADMM Cc1nnc(-c2ccc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cc2)o1 ZINC000425317380 559696378 /nfs/dbraw/zinc/69/63/78/559696378.db2.gz FSMFQZAUGOFLNO-UHFFFAOYSA-N -1 1 355.354 2.153 20 0 FEADMM C[C@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)[C@H]1OCCc2sccc21 ZINC000425328616 559697132 /nfs/dbraw/zinc/69/71/32/559697132.db2.gz XSSPVKQHUBUUOO-IINYFYTJSA-N -1 1 363.439 2.493 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2sccc2C(C)=O)cc1C(=O)[O-] ZINC000427307773 559752894 /nfs/dbraw/zinc/75/28/94/559752894.db2.gz IPFXEVOVTCGCFV-UHFFFAOYSA-N -1 1 355.393 2.458 20 0 FEADMM Cc1cnc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c([O-])c1 ZINC000427461264 559756028 /nfs/dbraw/zinc/75/60/28/559756028.db2.gz YDKPKILPABFIMM-UHFFFAOYSA-N -1 1 359.813 2.234 20 0 FEADMM CC(C)(O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000427532258 559757362 /nfs/dbraw/zinc/75/73/62/559757362.db2.gz XIJTZSXESGCAOT-UHFFFAOYSA-N -1 1 370.377 2.475 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC1(C)CCCCC1 ZINC000428414791 559775074 /nfs/dbraw/zinc/77/50/74/559775074.db2.gz WGBRMUZOQXXWFX-INIZCTEOSA-N -1 1 368.499 2.446 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOc2ccc(F)cc2C1 ZINC000428433794 559775471 /nfs/dbraw/zinc/77/54/71/559775471.db2.gz UZNCQRHQVPWVEW-UHFFFAOYSA-N -1 1 370.384 2.155 20 0 FEADMM CS(=O)(=O)c1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)n[n-]1 ZINC000429427253 559798440 /nfs/dbraw/zinc/79/84/40/559798440.db2.gz PARTVMDYTKVZID-UHFFFAOYSA-N -1 1 365.802 2.109 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)n1 ZINC000429427253 559798441 /nfs/dbraw/zinc/79/84/41/559798441.db2.gz PARTVMDYTKVZID-UHFFFAOYSA-N -1 1 365.802 2.109 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(N)=O)c(C)c1 ZINC000430073741 559812378 /nfs/dbraw/zinc/81/23/78/559812378.db2.gz YJGGKJAYJDQALU-UHFFFAOYSA-N -1 1 366.464 2.382 20 0 FEADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432173778 559853369 /nfs/dbraw/zinc/85/33/69/559853369.db2.gz BDOWTGLTHDKLCO-UHFFFAOYSA-N -1 1 374.418 2.354 20 0 FEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)CC4)ccc2[nH]1 ZINC000432205786 559854211 /nfs/dbraw/zinc/85/42/11/559854211.db2.gz MYCYBTZHEPYGOS-UHFFFAOYSA-N -1 1 369.402 2.214 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1C(=O)[O-] ZINC000433841119 559888619 /nfs/dbraw/zinc/88/86/19/559888619.db2.gz JCOYBUKOGLQKQO-UHFFFAOYSA-N -1 1 355.343 2.429 20 0 FEADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000434627523 559904126 /nfs/dbraw/zinc/90/41/26/559904126.db2.gz NVMNKILMVKYMQC-UHFFFAOYSA-N -1 1 352.387 2.351 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)c1ccc(C)cc1 ZINC000435225562 559918267 /nfs/dbraw/zinc/91/82/67/559918267.db2.gz JVPSVTSDYDDWJP-CQSZACIVSA-N -1 1 368.480 2.303 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cncn3)cc2C)c1 ZINC000436504503 559943476 /nfs/dbraw/zinc/94/34/76/559943476.db2.gz KFVHVTIEQUPTAJ-UHFFFAOYSA-N -1 1 352.350 2.320 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2cccc(Cl)c2)c1 ZINC000436502007 559943539 /nfs/dbraw/zinc/94/35/39/559943539.db2.gz FPJIIRCUVLBDKL-UHFFFAOYSA-N -1 1 362.769 2.201 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000436502628 559943541 /nfs/dbraw/zinc/94/35/41/559943541.db2.gz CRIBCZWRVZPOQJ-CQSZACIVSA-N -1 1 372.352 2.310 20 0 FEADMM NC(=O)CNC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436536059 559944724 /nfs/dbraw/zinc/94/47/24/559944724.db2.gz CHNHUIBDQKJEFA-UHFFFAOYSA-N -1 1 363.373 2.013 20 0 FEADMM CC(C)(C)N1C[C@@H](NC(=O)c2ccc(Br)cc2[O-])CC1=O ZINC000436573408 559945879 /nfs/dbraw/zinc/94/58/79/559945879.db2.gz HOVYWFPDEOYMIX-JTQLQIEISA-N -1 1 355.232 2.284 20 0 FEADMM COc1ccc(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c([O-])c1 ZINC000436584112 559946011 /nfs/dbraw/zinc/94/60/11/559946011.db2.gz IYCKPWQBWNSSLO-UHFFFAOYSA-N -1 1 353.371 2.337 20 0 FEADMM CC(=O)c1ccc([O-])c(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000436677566 559948629 /nfs/dbraw/zinc/94/86/29/559948629.db2.gz DMYVLIUSDSXKKV-UHFFFAOYSA-N -1 1 354.366 2.141 20 0 FEADMM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436685466 559948833 /nfs/dbraw/zinc/94/88/33/559948833.db2.gz CGDNBUBDLPIXOX-OAHLLOKOSA-N -1 1 374.393 2.254 20 0 FEADMM O=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc([O-])cc1 ZINC000436696620 559949166 /nfs/dbraw/zinc/94/91/66/559949166.db2.gz JMAWDANATOKMKY-QPJJXVBHSA-N -1 1 350.418 2.433 20 0 FEADMM CS(=O)(=O)c1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1Cl ZINC000436710158 559949608 /nfs/dbraw/zinc/94/96/08/559949608.db2.gz ZFYZTTMIKZMJLV-UHFFFAOYSA-N -1 1 353.783 2.271 20 0 FEADMM COc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c([O-])c1 ZINC000436774065 559951399 /nfs/dbraw/zinc/95/13/99/559951399.db2.gz RJPAVBKOJJMPJY-NSHDSACASA-N -1 1 369.377 2.406 20 0 FEADMM O=C(NCCCN1CCCCC1=O)c1cc(Br)ccc1[O-] ZINC000436806411 559952774 /nfs/dbraw/zinc/95/27/74/559952774.db2.gz HOJJKYYGDZJGMT-UHFFFAOYSA-N -1 1 355.232 2.287 20 0 FEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ncc(Br)cn1 ZINC000436927137 559956708 /nfs/dbraw/zinc/95/67/08/559956708.db2.gz MMUUXHNZSWJLBU-MRVPVSSYSA-N -1 1 350.172 2.005 20 0 FEADMM CCOC(=O)CN(CCc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436977750 559958013 /nfs/dbraw/zinc/95/80/13/559958013.db2.gz SKQXEUVESKZUOG-UHFFFAOYSA-N -1 1 355.390 2.209 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)ccc1O ZINC000436986346 559958473 /nfs/dbraw/zinc/95/84/73/559958473.db2.gz FQEFXWWPRQJSKU-UHFFFAOYSA-N -1 1 373.390 2.370 20 0 FEADMM O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)c1c([O-])cccc1F ZINC000436991252 559958867 /nfs/dbraw/zinc/95/88/67/559958867.db2.gz UVJMPLCVVVDETG-UHFFFAOYSA-N -1 1 364.398 2.001 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1-n1cnnn1 ZINC000438770941 559983381 /nfs/dbraw/zinc/98/33/81/559983381.db2.gz JCNGSAZJHQXUIC-UHFFFAOYSA-N -1 1 365.440 2.150 20 0 FEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1C ZINC000438795280 559983777 /nfs/dbraw/zinc/98/37/77/559983777.db2.gz XTMQLVLDISFVBC-UHFFFAOYSA-N -1 1 372.443 2.151 20 0 FEADMM CS(=O)(=O)[N-]c1ccc(Oc2cnc3cc(F)c(F)cc3n2)cn1 ZINC000439128470 559988944 /nfs/dbraw/zinc/98/89/44/559988944.db2.gz ODAILYHTWDIGQY-UHFFFAOYSA-N -1 1 352.322 2.467 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000440364895 560009415 /nfs/dbraw/zinc/00/94/15/560009415.db2.gz GKRSUEDUGPYZOO-ZIAGYGMSSA-N -1 1 371.459 2.002 20 0 FEADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cn1C ZINC000442234704 560046657 /nfs/dbraw/zinc/04/66/57/560046657.db2.gz HZNUDPFKMMJXEG-UHFFFAOYSA-N -1 1 363.773 2.117 20 0 FEADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1 ZINC000442346501 560049444 /nfs/dbraw/zinc/04/94/44/560049444.db2.gz GKSSJLATRFFTCW-UHFFFAOYSA-N -1 1 373.434 2.074 20 0 FEADMM COCc1nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(-c2ccccc2)s1 ZINC000442888731 560061205 /nfs/dbraw/zinc/06/12/05/560061205.db2.gz CNFCQXNJKWCBOM-LLVKDONJSA-N -1 1 372.454 2.345 20 0 FEADMM CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1(C)C ZINC000442922410 560062389 /nfs/dbraw/zinc/06/23/89/560062389.db2.gz GYGZALYCYSGZOF-DYVFJYSZSA-N -1 1 357.834 2.350 20 0 FEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)CC(C)(C)C)c1noc(C)n1 ZINC000442946999 560063250 /nfs/dbraw/zinc/06/32/50/560063250.db2.gz ZIVVHERYBWXGSQ-AWEZNQCLSA-N -1 1 353.444 2.442 20 0 FEADMM COc1cc(C(=O)N2CCN(c3nccnc3C)CC2)cc(Cl)c1[O-] ZINC000442969299 560064439 /nfs/dbraw/zinc/06/44/39/560064439.db2.gz CJERKYXNJQOTPU-UHFFFAOYSA-N -1 1 362.817 2.115 20 0 FEADMM COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)cc(Cl)c1[O-] ZINC000443057905 560068340 /nfs/dbraw/zinc/06/83/40/560068340.db2.gz LMJJVRLJYABRHA-YPMHNXCESA-N -1 1 352.818 2.185 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)o1 ZINC000443374024 560082329 /nfs/dbraw/zinc/08/23/29/560082329.db2.gz NYBBGMFDSULINP-NSHDSACASA-N -1 1 353.396 2.071 20 0 FEADMM COC(=O)c1cn(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2)nn1 ZINC000443425732 560083729 /nfs/dbraw/zinc/08/37/29/560083729.db2.gz ZEOONOIYZNMIAB-UHFFFAOYSA-N -1 1 372.406 2.163 20 0 FEADMM CC[N@@H+]1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)c(C)o3)sc2C1 ZINC000527726244 562301630 /nfs/dbraw/zinc/30/16/30/562301630.db2.gz VYHXDJWRYPKGHZ-UHFFFAOYSA-N -1 1 369.468 2.078 20 0 FEADMM Cn1c2ccccc2n(CCc2nc(-c3ccc([O-])c(F)c3)no2)c1=O ZINC000445477967 560132325 /nfs/dbraw/zinc/13/23/25/560132325.db2.gz FJYOZXANGDRFGC-UHFFFAOYSA-N -1 1 354.341 2.477 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCCC(C)(C)C2)o1 ZINC000445754802 560134854 /nfs/dbraw/zinc/13/48/54/560134854.db2.gz CDHOYNZNLAHJRD-MRXNPFEDSA-N -1 1 359.444 2.066 20 0 FEADMM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cn1 ZINC000447273479 560159272 /nfs/dbraw/zinc/15/92/72/560159272.db2.gz HYNVDYGHROMMEF-UHFFFAOYSA-N -1 1 350.379 2.189 20 0 FEADMM O=C(CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)NC1CCCCC1 ZINC000447488768 560163140 /nfs/dbraw/zinc/16/31/40/560163140.db2.gz NCPXJIAOCGFGOH-UHFFFAOYSA-N -1 1 365.430 2.438 20 0 FEADMM O=C(CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1)NC1CCCCC1 ZINC000447488768 560163141 /nfs/dbraw/zinc/16/31/41/560163141.db2.gz NCPXJIAOCGFGOH-UHFFFAOYSA-N -1 1 365.430 2.438 20 0 FEADMM COCc1nc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)cs1 ZINC000447496063 560163178 /nfs/dbraw/zinc/16/31/78/560163178.db2.gz DJVFLYZIZWUIEJ-UHFFFAOYSA-N -1 1 370.481 2.034 20 0 FEADMM COCc1nc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)cs1 ZINC000447496063 560163180 /nfs/dbraw/zinc/16/31/80/560163180.db2.gz DJVFLYZIZWUIEJ-UHFFFAOYSA-N -1 1 370.481 2.034 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CCO[C@@H](C)C3)c2)n1 ZINC000447683158 560166954 /nfs/dbraw/zinc/16/69/54/560166954.db2.gz NNYSRFJDTNVVHE-WFASDCNBSA-N -1 1 372.425 2.080 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CCO[C@H](C)C3)c2)n1 ZINC000447683155 560166998 /nfs/dbraw/zinc/16/69/98/560166998.db2.gz NNYSRFJDTNVVHE-DOMZBBRYSA-N -1 1 372.425 2.080 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448180254 560179937 /nfs/dbraw/zinc/17/99/37/560179937.db2.gz MDVHSLYMVOQLJI-HNNXBMFYSA-N -1 1 354.472 2.092 20 0 FEADMM CCc1ccc(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)cc1C(=O)[O-] ZINC000448179470 560179990 /nfs/dbraw/zinc/17/99/90/560179990.db2.gz KFWYPSOHULYOAA-MRXNPFEDSA-N -1 1 368.499 2.346 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000449134289 560217413 /nfs/dbraw/zinc/21/74/13/560217413.db2.gz ICNAQYZKAKYNAZ-BXUZGUMPSA-N -1 1 374.441 2.077 20 0 FEADMM CCc1[n-][nH]c(=NC(=O)[C@@H]2Cc3c(cccc3C)O2)c1Br ZINC000450015954 560248131 /nfs/dbraw/zinc/24/81/31/560248131.db2.gz HGKOGSINYQTWCT-LBPRGKRZSA-N -1 1 350.216 2.985 20 0 FEADMM CCOC(=O)c1csc(=NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)[n-]1 ZINC000450487020 560263863 /nfs/dbraw/zinc/26/38/63/560263863.db2.gz MBHHUIOGHCQHNO-SUMWQHHRSA-N -1 1 350.415 3.037 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)C)c(F)c1 ZINC000450968210 560280352 /nfs/dbraw/zinc/28/03/52/560280352.db2.gz MSCLDUJMAOAWOS-UHFFFAOYSA-N -1 1 352.453 2.054 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C(C)C)c(F)c1 ZINC000450971943 560280682 /nfs/dbraw/zinc/28/06/82/560280682.db2.gz PVDNGKHQBGAMHY-LLVKDONJSA-N -1 1 366.480 2.300 20 0 FEADMM O=S(=O)([N-]Cc1ccnc(N2CCOCC2)c1)c1sccc1Cl ZINC000451035577 560283947 /nfs/dbraw/zinc/28/39/47/560283947.db2.gz GJKDFDFVKYRHMR-UHFFFAOYSA-N -1 1 373.887 2.112 20 0 FEADMM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)c1 ZINC000451072098 560285477 /nfs/dbraw/zinc/28/54/77/560285477.db2.gz VEPWQBXEUZCAEM-QMMMGPOBSA-N -1 1 369.361 2.333 20 0 FEADMM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451181785 560291708 /nfs/dbraw/zinc/29/17/08/560291708.db2.gz IFZWVWILFYDBKZ-ZDUSSCGKSA-N -1 1 372.899 2.379 20 0 FEADMM C[C@H]1CN(CCCNS(=O)(=O)c2cc3cc(F)ccc3o2)CCCO1 ZINC000451457068 560308240 /nfs/dbraw/zinc/30/82/40/560308240.db2.gz FWFQLUUHEOSTND-ZDUSSCGKSA-N -1 1 370.446 2.351 20 0 FEADMM CCN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000451869384 560333481 /nfs/dbraw/zinc/33/34/81/560333481.db2.gz NIKGAMGBTUXKQE-QMMMGPOBSA-N -1 1 355.218 2.032 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@H](C)O ZINC000451896382 560335521 /nfs/dbraw/zinc/33/55/21/560335521.db2.gz SBELEBBAVZNACF-QUBYGPBYSA-N -1 1 358.204 2.165 20 0 FEADMM CSc1ccc([C@H](CNC(=O)N=c2[n-]nc3ccccn32)N(C)C)cc1 ZINC000454740344 560456205 /nfs/dbraw/zinc/45/62/05/560456205.db2.gz FYICRDIDSRZZIR-HNNXBMFYSA-N -1 1 370.482 2.876 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)o1 ZINC000456564228 560524401 /nfs/dbraw/zinc/52/44/01/560524401.db2.gz MMOHKQGRMWSDAH-CQSZACIVSA-N -1 1 350.396 2.148 20 0 FEADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000459124511 560668216 /nfs/dbraw/zinc/66/82/16/560668216.db2.gz PYYYLDQPRVBDNO-ZIAGYGMSSA-N -1 1 366.535 2.558 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3C[C@]3(C)C(C)C)CC2)n1 ZINC000459315886 560679204 /nfs/dbraw/zinc/67/92/04/560679204.db2.gz YGUJPZGIMLLTAF-FZKQIMNGSA-N -1 1 363.462 2.305 20 0 FEADMM Cc1cnc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000460186709 560737459 /nfs/dbraw/zinc/73/74/59/560737459.db2.gz YMEPFXDCULMWDH-CQSZACIVSA-N -1 1 358.373 2.271 20 0 FEADMM Cc1cnc(C(=O)NCC(=O)Nc2ccc(Br)cc2)c([O-])c1 ZINC000460204274 560738002 /nfs/dbraw/zinc/73/80/02/560738002.db2.gz UMCGLOMDXDGHDU-UHFFFAOYSA-N -1 1 364.199 2.227 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000460279423 560740446 /nfs/dbraw/zinc/74/04/46/560740446.db2.gz GACHLDQJVNXORQ-GFCCVEGCSA-N -1 1 370.327 2.284 20 0 FEADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000461106421 560761568 /nfs/dbraw/zinc/76/15/68/560761568.db2.gz FUPLSFKDHQRVBC-UHFFFAOYSA-N -1 1 360.370 2.336 20 0 FEADMM CCCC[C@H](C)N(C)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000461429079 560771225 /nfs/dbraw/zinc/77/12/25/560771225.db2.gz ZMJRRYYNDPRGIH-AWEZNQCLSA-N -1 1 364.490 2.297 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000461454660 560771924 /nfs/dbraw/zinc/77/19/24/560771924.db2.gz VPENKUGNYNJTME-KBPBESRZSA-N -1 1 364.398 2.182 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000461460041 560772382 /nfs/dbraw/zinc/77/23/82/560772382.db2.gz HNLKRUHLVJGARV-UHFFFAOYSA-N -1 1 360.435 2.431 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccoc2C(F)(F)F)c1 ZINC000461461140 560772454 /nfs/dbraw/zinc/77/24/54/560772454.db2.gz RNRWPCMVFDWRON-UHFFFAOYSA-N -1 1 364.301 2.164 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3c2cccc3C)c1 ZINC000461465069 560772763 /nfs/dbraw/zinc/77/27/63/560772763.db2.gz RKHSYJXHEABGPV-UHFFFAOYSA-N -1 1 373.434 2.271 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 ZINC000461465119 560772800 /nfs/dbraw/zinc/77/28/00/560772800.db2.gz OACZFPNAZXSDSV-GFCCVEGCSA-N -1 1 364.423 2.015 20 0 FEADMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000461629974 560777755 /nfs/dbraw/zinc/77/77/55/560777755.db2.gz VFSBLDXEWIBILY-UHFFFAOYSA-N -1 1 373.848 2.250 20 0 FEADMM CC(C)(NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1nn[n-]n1 ZINC000461650856 560778868 /nfs/dbraw/zinc/77/88/68/560778868.db2.gz VKCFQTFYCDDVDA-UHFFFAOYSA-N -1 1 356.411 2.179 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)cc1C ZINC000462104581 560797326 /nfs/dbraw/zinc/79/73/26/560797326.db2.gz RNHPXEALPLIIFH-UHFFFAOYSA-N -1 1 363.439 2.092 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)c2ccc(Cl)cc2)o1 ZINC000462410901 560809057 /nfs/dbraw/zinc/80/90/57/560809057.db2.gz UYMNHJVZAXKUQA-CYBMUJFWSA-N -1 1 373.814 2.386 20 0 FEADMM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)cn1 ZINC000464650553 560847727 /nfs/dbraw/zinc/84/77/27/560847727.db2.gz QWVXWCAFGBHUIX-UHFFFAOYSA-N -1 1 374.788 2.380 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)ccc1C ZINC000467072439 560902881 /nfs/dbraw/zinc/90/28/81/560902881.db2.gz MXOIGZDUCLFOPS-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM O=C(NCCCc1ccc2c(c1)OCCO2)c1nc2ccccc2c(=O)[n-]1 ZINC000467418644 560909757 /nfs/dbraw/zinc/90/97/57/560909757.db2.gz ODDWZKWGXLOHEE-UHFFFAOYSA-N -1 1 365.389 2.057 20 0 FEADMM C[C@@H](CSc1ccccc1)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000467864803 560918976 /nfs/dbraw/zinc/91/89/76/560918976.db2.gz PDWWEXOQSSLTQJ-LBPRGKRZSA-N -1 1 363.512 2.197 20 0 FEADMM CC(C)[C@@H](CC1CCCC1)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000467870465 560919006 /nfs/dbraw/zinc/91/90/06/560919006.db2.gz CFIIIUVTIZCHRR-CQSZACIVSA-N -1 1 351.520 2.621 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-c2ccco2)cc1F ZINC000468398241 560928830 /nfs/dbraw/zinc/92/88/30/560928830.db2.gz AJAFRHQYPYMVSE-UHFFFAOYSA-N -1 1 369.352 2.233 20 0 FEADMM Cc1cnc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000468721490 560937048 /nfs/dbraw/zinc/93/70/48/560937048.db2.gz CLXLNPGADUIPBW-QRWLVFNGSA-N -1 1 356.422 2.278 20 0 FEADMM Cc1ccc(-c2nnc([C@H](C)N3CCN(c4nc(=N)[n-]s4)CC3)o2)cc1 ZINC000468852159 560940563 /nfs/dbraw/zinc/94/05/63/560940563.db2.gz FYDOYEYBLZXMKQ-LBPRGKRZSA-N -1 1 371.470 2.362 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)[C@H]1CCCOC1 ZINC000469015340 560944731 /nfs/dbraw/zinc/94/47/31/560944731.db2.gz RQOIZCKPVWHTKP-IRXDYDNUSA-N -1 1 369.483 2.027 20 0 FEADMM CC(C)c1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1-c1ccc(F)cc1 ZINC000470969093 560995543 /nfs/dbraw/zinc/99/55/43/560995543.db2.gz OEXIXZXEMPMCMS-UHFFFAOYSA-N -1 1 355.377 2.067 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000470979445 560995740 /nfs/dbraw/zinc/99/57/40/560995740.db2.gz JQJUEVFLERRXBO-UWVGGRQHSA-N -1 1 353.304 2.007 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C(F)F)CC2)o1 ZINC000471267844 561001624 /nfs/dbraw/zinc/00/16/24/561001624.db2.gz VDOSRZDDWQMWIG-UHFFFAOYSA-N -1 1 350.387 2.132 20 0 FEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)ccc1F ZINC000471628342 561009085 /nfs/dbraw/zinc/00/90/85/561009085.db2.gz UIOUEZOMMAZFMI-UHFFFAOYSA-N -1 1 364.398 2.263 20 0 FEADMM COc1ccc(NC(=O)c2cc(C(C)C)nn2C)cc1[N-]S(C)(=O)=O ZINC000471829654 561012566 /nfs/dbraw/zinc/01/25/66/561012566.db2.gz DZBFWGHKASKTQR-UHFFFAOYSA-N -1 1 366.443 2.176 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cccc(C)c1C ZINC000472736626 561033977 /nfs/dbraw/zinc/03/39/77/561033977.db2.gz ICQCCTOGPYYRJN-RDJZCZTQSA-N -1 1 369.483 2.396 20 0 FEADMM CC(C)N1CC(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000473222975 561044762 /nfs/dbraw/zinc/04/47/62/561044762.db2.gz ZJUNJMHKGLBTKO-UHFFFAOYSA-N -1 1 373.478 2.310 20 0 FEADMM O=S(=O)([N-]CCc1cnccn1)c1ccc(Cl)c(F)c1Cl ZINC000473938117 561061397 /nfs/dbraw/zinc/06/13/97/561061397.db2.gz PFRLXVHNEMPUIK-UHFFFAOYSA-N -1 1 350.202 2.444 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](OC)C(C)C)c1 ZINC000474366835 561072320 /nfs/dbraw/zinc/07/23/20/561072320.db2.gz CHSUZOMLDYUIAV-HNNXBMFYSA-N -1 1 358.460 2.032 20 0 FEADMM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000474994087 561087216 /nfs/dbraw/zinc/08/72/16/561087216.db2.gz MLLPCRKDRNWRHG-UHFFFAOYSA-N -1 1 350.810 2.113 20 0 FEADMM CCCN(CCC)C(=O)c1cccc(C(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000475004399 561087564 /nfs/dbraw/zinc/08/75/64/561087564.db2.gz XCCKKTHRXXOQMG-UHFFFAOYSA-N -1 1 358.446 2.127 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1C ZINC000476387611 561118068 /nfs/dbraw/zinc/11/80/68/561118068.db2.gz BQRRHWMLGQMPPT-UHFFFAOYSA-N -1 1 360.391 2.077 20 0 FEADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000476483754 561120610 /nfs/dbraw/zinc/12/06/10/561120610.db2.gz BGZJINRGZWRLHA-LRDDRELGSA-N -1 1 370.471 2.176 20 0 FEADMM CC[C@@H](Cc1ccccc1Br)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477030209 561134667 /nfs/dbraw/zinc/13/46/67/561134667.db2.gz MDZYCWADOFWADA-JTQLQIEISA-N -1 1 364.247 2.336 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000477040075 561135031 /nfs/dbraw/zinc/13/50/31/561135031.db2.gz NONDTKWQYGBKKT-UHFFFAOYSA-N -1 1 369.331 2.128 20 0 FEADMM Cc1noc2nc(-c3ccccc3)cc(C(=O)NC3(c4nn[n-]n4)CC3)c12 ZINC000477059716 561135508 /nfs/dbraw/zinc/13/55/08/561135508.db2.gz NZSSMMLLKQAZGJ-UHFFFAOYSA-N -1 1 361.365 2.130 20 0 FEADMM COCCOc1ncccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477135690 561137595 /nfs/dbraw/zinc/13/75/95/561137595.db2.gz QGPRKFDLVADSBZ-UHFFFAOYSA-N -1 1 354.366 2.455 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c(Cl)cc21 ZINC000528398802 562326783 /nfs/dbraw/zinc/32/67/83/562326783.db2.gz GXNRBDUQUOQNNF-SSDOTTSWSA-N -1 1 370.780 2.478 20 0 FEADMM COCCc1noc(CC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)n1 ZINC000529734531 562383423 /nfs/dbraw/zinc/38/34/23/562383423.db2.gz NBOMARHWVKLSLN-UHFFFAOYSA-N -1 1 363.389 2.198 20 0 FEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]CC(F)(F)F)c(Cl)cc21 ZINC000530156342 562400508 /nfs/dbraw/zinc/40/05/08/562400508.db2.gz YRHCYQFURSUKDN-UHFFFAOYSA-N -1 1 356.753 2.090 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530064666 562396605 /nfs/dbraw/zinc/39/66/05/562396605.db2.gz JIXATYCDBDHEMM-QZXWKGOOSA-N -1 1 358.257 2.280 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000530085237 562397596 /nfs/dbraw/zinc/39/75/96/562397596.db2.gz KAEOPUUMPZSSKK-UHFFFAOYSA-N -1 1 362.474 2.167 20 0 FEADMM CCOc1ccc(OC[C@@H](O)CN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000530167880 562401086 /nfs/dbraw/zinc/40/10/86/562401086.db2.gz HCALLGMSCQBXLB-UGSOOPFHSA-N -1 1 361.394 2.102 20 0 FEADMM O=S(=O)([N-]C[C@H]1COc2ccccc2O1)c1ccc(Br)o1 ZINC000530531029 562414883 /nfs/dbraw/zinc/41/48/83/562414883.db2.gz SCBRAJSZQCOLFM-VIFPVBQESA-N -1 1 374.212 2.160 20 0 FEADMM C[C@@H](SCC(=O)NC1(c2nn[n-]n2)CCCC1)c1nc2ccccc2[nH]1 ZINC000531072864 562433884 /nfs/dbraw/zinc/43/38/84/562433884.db2.gz SAFVIUBJWMAHQM-LLVKDONJSA-N -1 1 371.470 2.456 20 0 FEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000531521870 562448588 /nfs/dbraw/zinc/44/85/88/562448588.db2.gz FLYOGDYNJIWNAW-UHFFFAOYSA-N -1 1 373.434 2.077 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCc1cscn1 ZINC000531641930 562452480 /nfs/dbraw/zinc/45/24/80/562452480.db2.gz KKBZCSPVRWATKY-UHFFFAOYSA-N -1 1 369.450 2.301 20 0 FEADMM COC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000532364628 562475407 /nfs/dbraw/zinc/47/54/07/562475407.db2.gz QHKQWMADFJUCQW-UHFFFAOYSA-N -1 1 361.422 2.404 20 0 FEADMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000533253304 562502819 /nfs/dbraw/zinc/50/28/19/562502819.db2.gz ZTWGCRGOLNSMJN-JGRMJRGVSA-N -1 1 350.531 2.118 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)sc1C ZINC000533253509 562502931 /nfs/dbraw/zinc/50/29/31/562502931.db2.gz HBBQOXJXYJPSAJ-UHFFFAOYSA-N -1 1 354.453 2.400 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(N2CCCC2=O)ccc1Cl ZINC000534131812 562526220 /nfs/dbraw/zinc/52/62/20/562526220.db2.gz XNMLXDOKKJRKPZ-UHFFFAOYSA-N -1 1 374.832 2.179 20 0 FEADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc4ncccc4c3)cc2C1=O ZINC000534207435 562527535 /nfs/dbraw/zinc/52/75/35/562527535.db2.gz KRNYSZWAMRDGIU-UHFFFAOYSA-N -1 1 367.386 2.261 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)cc1 ZINC000534296409 562530415 /nfs/dbraw/zinc/53/04/15/562530415.db2.gz GMVMRNVOVDBRLZ-UHFFFAOYSA-N -1 1 359.407 2.388 20 0 FEADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000535253154 562554189 /nfs/dbraw/zinc/55/41/89/562554189.db2.gz SSNMXOVXZWWYPN-VIFPVBQESA-N -1 1 355.309 2.472 20 0 FEADMM COc1cc(NC(=O)c2cc(C)n(C(F)F)n2)ccc1[N-]S(C)(=O)=O ZINC000535627759 562562887 /nfs/dbraw/zinc/56/28/87/562562887.db2.gz ZKWBNPDNSGFDAW-UHFFFAOYSA-N -1 1 374.369 2.219 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)co1 ZINC000535882179 562570321 /nfs/dbraw/zinc/57/03/21/562570321.db2.gz FGGMVSBNTHYTGW-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM O=C(Nc1sccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccco1 ZINC000537123093 562585989 /nfs/dbraw/zinc/58/59/89/562585989.db2.gz CDBYOXBKPPMTQK-SNVBAGLBSA-N -1 1 372.410 2.126 20 0 FEADMM Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)Cc2nc(=O)n(C)[n-]2)c1 ZINC000541577557 562615762 /nfs/dbraw/zinc/61/57/62/562615762.db2.gz DJXGSVPWUWQEGW-UHFFFAOYSA-N -1 1 365.437 2.371 20 0 FEADMM O=C(NCc1cccc(=O)[nH]1)c1ccc(I)c([O-])c1 ZINC000545507035 562628438 /nfs/dbraw/zinc/62/84/38/562628438.db2.gz FTRDBEZXTPOMET-UHFFFAOYSA-N -1 1 370.146 2.027 20 0 FEADMM COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000601770303 567832977 /nfs/dbraw/zinc/83/29/77/567832977.db2.gz AOHKQMVNCSAMIX-GOSISDBHSA-N -1 1 371.380 2.491 20 0 FEADMM COC(C)(C)c1nsc(N=C([O-])[C@@H](C(=O)OC(C)(C)C)C(C)C)n1 ZINC000601795976 567844186 /nfs/dbraw/zinc/84/41/86/567844186.db2.gz OAZIVQGXCYVCGD-JTQLQIEISA-N -1 1 357.476 2.394 20 0 FEADMM COC(C)(C)c1nsc(N=C([O-])[C@H](C(=O)OC(C)(C)C)C2CC2)n1 ZINC000601797249 567844650 /nfs/dbraw/zinc/84/46/50/567844650.db2.gz SUTUPTRECBZRMJ-SNVBAGLBSA-N -1 1 355.460 2.148 20 0 FEADMM Cc1ccc(I)cc1NC(=O)CCCc1nn[n-]n1 ZINC000602145875 567936578 /nfs/dbraw/zinc/93/65/78/567936578.db2.gz VROJYMCDJFMCJG-UHFFFAOYSA-N -1 1 371.182 2.074 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2cccc(C(F)F)c2)n[n-]1 ZINC000603157937 568068912 /nfs/dbraw/zinc/06/89/12/568068912.db2.gz XEWCFWFDTUTLIE-VIFPVBQESA-N -1 1 352.341 2.339 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2cccc(C(F)F)c2)[n-]1 ZINC000603157937 568068913 /nfs/dbraw/zinc/06/89/13/568068913.db2.gz XEWCFWFDTUTLIE-VIFPVBQESA-N -1 1 352.341 2.339 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cccc(C(F)F)c2)n1 ZINC000603157937 568068914 /nfs/dbraw/zinc/06/89/14/568068914.db2.gz XEWCFWFDTUTLIE-VIFPVBQESA-N -1 1 352.341 2.339 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)(C(=O)OC)c1ccccc1 ZINC000603281007 568082407 /nfs/dbraw/zinc/08/24/07/568082407.db2.gz GJDRTVDAPNGGME-GJZGRUSLSA-N -1 1 361.410 2.430 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1cc(C)cc(C)c1 ZINC000603310058 568084629 /nfs/dbraw/zinc/08/46/29/568084629.db2.gz OPMWAIFIPFVGBW-UKRRQHHQSA-N -1 1 361.410 2.482 20 0 FEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1CSC1 ZINC000603386073 568094514 /nfs/dbraw/zinc/09/45/14/568094514.db2.gz TVSNRXNMCIAIOD-UHFFFAOYSA-N -1 1 370.279 2.421 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C(F)F)c(Br)c1 ZINC000603424932 568096434 /nfs/dbraw/zinc/09/64/34/568096434.db2.gz UJDDXTNFZYYNSW-ZCFIWIBFSA-N -1 1 372.187 2.168 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)N1CCCC1 ZINC000603719004 568147422 /nfs/dbraw/zinc/14/74/22/568147422.db2.gz PCFLNOLCBOROPB-AWEZNQCLSA-N -1 1 364.389 2.029 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000563122233 568223205 /nfs/dbraw/zinc/22/32/05/568223205.db2.gz APFDYQIKRHNHGI-ZBFHGGJFSA-N -1 1 350.484 2.246 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)o1 ZINC000604993678 568505204 /nfs/dbraw/zinc/50/52/04/568505204.db2.gz PHJDVLXXNJWGBE-UHFFFAOYSA-N -1 1 362.411 2.371 20 0 FEADMM CCC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736409763 598873850 /nfs/dbraw/zinc/87/38/50/598873850.db2.gz NBTOMUGSJYFHEH-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CCC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736409763 598873852 /nfs/dbraw/zinc/87/38/52/598873852.db2.gz NBTOMUGSJYFHEH-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CCC[C@@H](NC(=O)c1sc([C@H]2CCCOC2)nc1C)c1nn[n-]n1 ZINC000556557920 674406708 /nfs/dbraw/zinc/40/67/08/674406708.db2.gz USUSHNKMYDXFOS-WDEREUQCSA-N -1 1 350.448 2.130 20 0 FEADMM C[C@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736269929 598918770 /nfs/dbraw/zinc/91/87/70/598918770.db2.gz ZJFREYOIFYRACG-JTQLQIEISA-N -1 1 355.851 2.473 20 0 FEADMM C[C@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736269929 598918771 /nfs/dbraw/zinc/91/87/71/598918771.db2.gz ZJFREYOIFYRACG-JTQLQIEISA-N -1 1 355.851 2.473 20 0 FEADMM C[C@@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736269930 598919086 /nfs/dbraw/zinc/91/90/86/598919086.db2.gz ZJFREYOIFYRACG-SNVBAGLBSA-N -1 1 355.851 2.473 20 0 FEADMM C[C@@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736269930 598919088 /nfs/dbraw/zinc/91/90/88/598919088.db2.gz ZJFREYOIFYRACG-SNVBAGLBSA-N -1 1 355.851 2.473 20 0 FEADMM O=C(CCNc1c2ccccc2nnc1-c1nnn[n-]1)NC1CCCCC1 ZINC000737846454 598936885 /nfs/dbraw/zinc/93/68/85/598936885.db2.gz AESLYWVKONLYNM-UHFFFAOYSA-N -1 1 366.429 2.061 20 0 FEADMM O=C(CCNc1c2ccccc2nnc1-c1nn[n-]n1)NC1CCCCC1 ZINC000737846454 598936886 /nfs/dbraw/zinc/93/68/86/598936886.db2.gz AESLYWVKONLYNM-UHFFFAOYSA-N -1 1 366.429 2.061 20 0 FEADMM CN(C)C(=O)Cc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736746511 598959979 /nfs/dbraw/zinc/95/99/79/598959979.db2.gz KASOFEMRMSLISF-UHFFFAOYSA-N -1 1 374.408 2.184 20 0 FEADMM CN(C)C(=O)Cc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736746511 598959980 /nfs/dbraw/zinc/95/99/80/598959980.db2.gz KASOFEMRMSLISF-UHFFFAOYSA-N -1 1 374.408 2.184 20 0 FEADMM CC(=O)Nc1ccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000735485265 598964452 /nfs/dbraw/zinc/96/44/52/598964452.db2.gz RUFWKNRCXMGJQH-UHFFFAOYSA-N -1 1 374.408 2.423 20 0 FEADMM CC(=O)Nc1ccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000735485265 598964451 /nfs/dbraw/zinc/96/44/51/598964451.db2.gz RUFWKNRCXMGJQH-UHFFFAOYSA-N -1 1 374.408 2.423 20 0 FEADMM c1ncn(-c2ccc(Oc3c4ccccc4nnc3-c3nn[n-]n3)cc2)n1 ZINC000738435861 598971335 /nfs/dbraw/zinc/97/13/35/598971335.db2.gz CNDUXHJPNSDMSF-UHFFFAOYSA-N -1 1 357.337 2.183 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738002945 598983980 /nfs/dbraw/zinc/98/39/80/598983980.db2.gz UVJWJRJEQOGMJF-QGZVFWFLSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738002945 598983982 /nfs/dbraw/zinc/98/39/82/598983982.db2.gz UVJWJRJEQOGMJF-QGZVFWFLSA-N -1 1 357.377 2.176 20 0 FEADMM Cc1ccc(CSCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737343882 598984265 /nfs/dbraw/zinc/98/42/65/598984265.db2.gz WUFQKOQRQRIQSJ-UHFFFAOYSA-N -1 1 354.439 2.233 20 0 FEADMM Cc1ccc(CSCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737343882 598984266 /nfs/dbraw/zinc/98/42/66/598984266.db2.gz WUFQKOQRQRIQSJ-UHFFFAOYSA-N -1 1 354.439 2.233 20 0 FEADMM O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037547 598985395 /nfs/dbraw/zinc/98/53/95/598985395.db2.gz XAYRSHUQJKIJTN-LBPRGKRZSA-N -1 1 356.386 2.368 20 0 FEADMM O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037547 598985397 /nfs/dbraw/zinc/98/53/97/598985397.db2.gz XAYRSHUQJKIJTN-LBPRGKRZSA-N -1 1 356.386 2.368 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000738260105 598986103 /nfs/dbraw/zinc/98/61/03/598986103.db2.gz ZMQVZELWVACYMH-CYBMUJFWSA-N -1 1 370.438 2.145 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000738260105 598986104 /nfs/dbraw/zinc/98/61/04/598986104.db2.gz ZMQVZELWVACYMH-CYBMUJFWSA-N -1 1 370.438 2.145 20 0 FEADMM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738187884 598986996 /nfs/dbraw/zinc/98/69/96/598986996.db2.gz ZPWADIYFQRBOQU-UHFFFAOYSA-N -1 1 350.260 2.413 20 0 FEADMM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738187884 598986998 /nfs/dbraw/zinc/98/69/98/598986998.db2.gz ZPWADIYFQRBOQU-UHFFFAOYSA-N -1 1 350.260 2.413 20 0 FEADMM CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735689729 598990821 /nfs/dbraw/zinc/99/08/21/598990821.db2.gz AOKQFGOTBGCOPC-UHFFFAOYSA-N -1 1 351.370 2.109 20 0 FEADMM CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735689729 598990822 /nfs/dbraw/zinc/99/08/22/598990822.db2.gz AOKQFGOTBGCOPC-UHFFFAOYSA-N -1 1 351.370 2.109 20 0 FEADMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736602323 598992684 /nfs/dbraw/zinc/99/26/84/598992684.db2.gz HTOLGFZXXPBMTF-UHFFFAOYSA-N -1 1 353.342 2.082 20 0 FEADMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736602323 598992685 /nfs/dbraw/zinc/99/26/85/598992685.db2.gz HTOLGFZXXPBMTF-UHFFFAOYSA-N -1 1 353.342 2.082 20 0 FEADMM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736938729 598998928 /nfs/dbraw/zinc/99/89/28/598998928.db2.gz BFXMUXIRIAYXQN-UHFFFAOYSA-N -1 1 366.381 2.424 20 0 FEADMM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736938729 598998930 /nfs/dbraw/zinc/99/89/30/598998930.db2.gz BFXMUXIRIAYXQN-UHFFFAOYSA-N -1 1 366.381 2.424 20 0 FEADMM COc1cc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1SC ZINC000737045241 598999349 /nfs/dbraw/zinc/99/93/49/598999349.db2.gz GTASJBWAPIPSLX-UHFFFAOYSA-N -1 1 370.438 2.264 20 0 FEADMM COc1cc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1SC ZINC000737045241 598999350 /nfs/dbraw/zinc/99/93/50/598999350.db2.gz GTASJBWAPIPSLX-UHFFFAOYSA-N -1 1 370.438 2.264 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000738259217 599030089 /nfs/dbraw/zinc/03/00/89/599030089.db2.gz OCFWSQNQBDUBDM-OAHLLOKOSA-N -1 1 370.800 2.129 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000738259217 599030091 /nfs/dbraw/zinc/03/00/91/599030091.db2.gz OCFWSQNQBDUBDM-OAHLLOKOSA-N -1 1 370.800 2.129 20 0 FEADMM Cn1cc(NS(=O)(=O)c2ccc(Br)s2)cc1C(=O)[O-] ZINC000833052865 601783886 /nfs/dbraw/zinc/78/38/86/601783886.db2.gz LZDRDNROQSUZAI-UHFFFAOYSA-N -1 1 365.230 2.348 20 0 FEADMM OCC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccs1 ZINC000738393449 599118867 /nfs/dbraw/zinc/11/88/67/599118867.db2.gz LWIYOKRNJVAANA-CYBMUJFWSA-N -1 1 352.423 2.434 20 0 FEADMM OCC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccs1 ZINC000738393449 599118870 /nfs/dbraw/zinc/11/88/70/599118870.db2.gz LWIYOKRNJVAANA-CYBMUJFWSA-N -1 1 352.423 2.434 20 0 FEADMM CC(C)Cc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735849781 599131732 /nfs/dbraw/zinc/13/17/32/599131732.db2.gz MJFPREZYFWNIIN-UHFFFAOYSA-N -1 1 365.393 2.500 20 0 FEADMM CC(C)Cc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735849781 599131733 /nfs/dbraw/zinc/13/17/33/599131733.db2.gz MJFPREZYFWNIIN-UHFFFAOYSA-N -1 1 365.393 2.500 20 0 FEADMM CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736701585 599132031 /nfs/dbraw/zinc/13/20/31/599132031.db2.gz FHLFPTOXCMEPHI-NSHDSACASA-N -1 1 366.381 2.008 20 0 FEADMM CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736701585 599132034 /nfs/dbraw/zinc/13/20/34/599132034.db2.gz FHLFPTOXCMEPHI-NSHDSACASA-N -1 1 366.381 2.008 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737356639 599133260 /nfs/dbraw/zinc/13/32/60/599133260.db2.gz REAXDMNZCOEFPG-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737356639 599133261 /nfs/dbraw/zinc/13/32/61/599133261.db2.gz REAXDMNZCOEFPG-GFCCVEGCSA-N -1 1 366.381 2.063 20 0 FEADMM CC[C@H](C)C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820869603 599159435 /nfs/dbraw/zinc/15/94/35/599159435.db2.gz IIOIMJBMLAASIG-QWRGUYRKSA-N -1 1 360.462 2.458 20 0 FEADMM Cc1nc(C)n(C[C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)n1 ZINC000737474076 599204829 /nfs/dbraw/zinc/20/48/29/599204829.db2.gz JVTDROBOZCOXQE-LBPRGKRZSA-N -1 1 373.852 2.040 20 0 FEADMM Cc1nc(C)n(C[C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)n1 ZINC000737474076 599204830 /nfs/dbraw/zinc/20/48/30/599204830.db2.gz JVTDROBOZCOXQE-LBPRGKRZSA-N -1 1 373.852 2.040 20 0 FEADMM CCc1ccccc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821492554 607264802 /nfs/dbraw/zinc/26/48/02/607264802.db2.gz RAPKRPANKKWOOT-UHFFFAOYSA-N -1 1 369.381 2.434 20 0 FEADMM C[C@H]([NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000818053738 597125847 /nfs/dbraw/zinc/12/58/47/597125847.db2.gz UKHJSOXVAMBPTD-NSHDSACASA-N -1 1 352.387 2.189 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000822613098 607273159 /nfs/dbraw/zinc/27/31/59/607273159.db2.gz ALDLVZYEAKSNGF-CYBMUJFWSA-N -1 1 352.402 2.144 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000822613098 607273160 /nfs/dbraw/zinc/27/31/60/607273160.db2.gz ALDLVZYEAKSNGF-CYBMUJFWSA-N -1 1 352.402 2.144 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000818864384 597231330 /nfs/dbraw/zinc/23/13/30/597231330.db2.gz WOBCHPGXNCQCSS-UHFFFAOYSA-N -1 1 360.439 2.195 20 0 FEADMM O=C([O-])Cc1ccccc1NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000819623486 597335479 /nfs/dbraw/zinc/33/54/79/597335479.db2.gz BLFGWUSKORGELQ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM O=C([O-])Cc1ccccc1NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000819623486 597335482 /nfs/dbraw/zinc/33/54/82/597335482.db2.gz BLFGWUSKORGELQ-UHFFFAOYSA-N -1 1 351.366 2.421 20 0 FEADMM CN1CC[C@H](CNC(=O)NCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000820619985 597492794 /nfs/dbraw/zinc/49/27/94/597492794.db2.gz DCWIROGNICJKSF-ABAIWWIYSA-N -1 1 357.813 2.246 20 0 FEADMM CCCc1cc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)[nH]n1 ZINC000807708512 674424893 /nfs/dbraw/zinc/42/48/93/674424893.db2.gz YEXHRSRKOLITSN-KWBADKCTSA-N -1 1 360.380 2.280 20 0 FEADMM CC(C)CO[C@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708522 674425025 /nfs/dbraw/zinc/42/50/25/674425025.db2.gz YQHVNRPOVDMJKP-RVMXOQNASA-N -1 1 352.397 2.352 20 0 FEADMM NC(=O)[C@@H](NC1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1F ZINC000821345269 598135872 /nfs/dbraw/zinc/13/58/72/598135872.db2.gz TXHBNUWGRXNMME-RHYVWVDMSA-N -1 1 373.222 2.348 20 0 FEADMM COc1cccc([C@@H]2[C@@H](NC(=O)N(C)CCC(=O)[O-])CCN2C2CC2)c1 ZINC000820865761 598215901 /nfs/dbraw/zinc/21/59/01/598215901.db2.gz WSIYHBSOJXXEFU-FUHWJXTLSA-N -1 1 361.442 2.089 20 0 FEADMM O=S(=O)(Oc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340569 598260988 /nfs/dbraw/zinc/26/09/88/598260988.db2.gz ZIPHVFPQSIPCCW-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM O=S(=O)(Oc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340569 598260990 /nfs/dbraw/zinc/26/09/90/598260990.db2.gz ZIPHVFPQSIPCCW-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM C[C@H]1CC(=O)CC[C@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802014 674430215 /nfs/dbraw/zinc/43/02/15/674430215.db2.gz LZDLUIZLWNWREX-JZKMBYMZSA-N -1 1 362.392 2.296 20 0 FEADMM Brc1ccc(CCNc2nccnc2-c2nnn[n-]2)s1 ZINC000735369026 598340531 /nfs/dbraw/zinc/34/05/31/598340531.db2.gz RNXIGJQZGWBGGU-UHFFFAOYSA-N -1 1 352.221 2.135 20 0 FEADMM Brc1ccc(CCNc2nccnc2-c2nn[n-]n2)s1 ZINC000735369026 598340533 /nfs/dbraw/zinc/34/05/33/598340533.db2.gz RNXIGJQZGWBGGU-UHFFFAOYSA-N -1 1 352.221 2.135 20 0 FEADMM CN(Cc1cc(Br)ccc1F)c1nccnc1-c1nnn[n-]1 ZINC000736815557 598349629 /nfs/dbraw/zinc/34/96/29/598349629.db2.gz ULLLMFIUAAABKA-UHFFFAOYSA-N -1 1 364.182 2.195 20 0 FEADMM CN(Cc1cc(Br)ccc1F)c1nccnc1-c1nn[n-]n1 ZINC000736815557 598349630 /nfs/dbraw/zinc/34/96/30/598349630.db2.gz ULLLMFIUAAABKA-UHFFFAOYSA-N -1 1 364.182 2.195 20 0 FEADMM Fc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1Br ZINC000737643207 598349897 /nfs/dbraw/zinc/34/98/97/598349897.db2.gz CSGWOFMANZHYJU-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM Fc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1Br ZINC000737643207 598349898 /nfs/dbraw/zinc/34/98/98/598349898.db2.gz CSGWOFMANZHYJU-UHFFFAOYSA-N -1 1 350.155 2.170 20 0 FEADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC000736793412 598350258 /nfs/dbraw/zinc/35/02/58/598350258.db2.gz WVRSZGMWHCKDHW-GOEBONIOSA-N -1 1 351.414 2.261 20 0 FEADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC000736793412 598350260 /nfs/dbraw/zinc/35/02/60/598350260.db2.gz WVRSZGMWHCKDHW-GOEBONIOSA-N -1 1 351.414 2.261 20 0 FEADMM CCc1nn(Cc2ccc(Cl)s2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706053 598378003 /nfs/dbraw/zinc/37/80/03/598378003.db2.gz GBCJSSWAGLWBEY-UHFFFAOYSA-N -1 1 350.835 2.311 20 0 FEADMM COc1ccc([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c(OC)c1 ZINC000737073684 598385404 /nfs/dbraw/zinc/38/54/04/598385404.db2.gz AUPLATLPHQUOAC-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c(OC)c1 ZINC000737073684 598385406 /nfs/dbraw/zinc/38/54/06/598385406.db2.gz AUPLATLPHQUOAC-AWEZNQCLSA-N -1 1 353.386 2.015 20 0 FEADMM Clc1ccc(NC2CCN(c3ccccn3)CC2)nc1-c1nnn[n-]1 ZINC000737575435 598575658 /nfs/dbraw/zinc/57/56/58/598575658.db2.gz UVJFSMZLXVNLLX-UHFFFAOYSA-N -1 1 356.821 2.391 20 0 FEADMM Clc1ccc(NC2CCN(c3ccccn3)CC2)nc1-c1nn[n-]n1 ZINC000737575435 598575659 /nfs/dbraw/zinc/57/56/59/598575659.db2.gz UVJFSMZLXVNLLX-UHFFFAOYSA-N -1 1 356.821 2.391 20 0 FEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1c1ccccc1 ZINC000738302437 598577997 /nfs/dbraw/zinc/57/79/97/598577997.db2.gz WUWSXKGJSJGKBX-SNVBAGLBSA-N -1 1 355.789 2.133 20 0 FEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC000738302437 598577999 /nfs/dbraw/zinc/57/79/99/598577999.db2.gz WUWSXKGJSJGKBX-SNVBAGLBSA-N -1 1 355.789 2.133 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(-c2cccs2)no1 ZINC000737197637 598608639 /nfs/dbraw/zinc/60/86/39/598608639.db2.gz APEQTDKTUSLSEM-UHFFFAOYSA-N -1 1 369.410 2.481 20 0 FEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737346511 598663734 /nfs/dbraw/zinc/66/37/34/598663734.db2.gz HCEIWVUFGFQGDK-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000738372139 598676731 /nfs/dbraw/zinc/67/67/31/598676731.db2.gz OPHVFVQEAKJBMK-UHFFFAOYSA-N -1 1 356.292 2.010 20 0 FEADMM O=S(=O)(Oc1c(F)cccc1F)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339385 598687852 /nfs/dbraw/zinc/68/78/52/598687852.db2.gz MMLMYAAWUSBTAC-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(C1CC1)C1CCCC1 ZINC000738355263 598690707 /nfs/dbraw/zinc/69/07/07/598690707.db2.gz MJYUOTNCXABKSM-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM COC(=O)c1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000736948153 598719293 /nfs/dbraw/zinc/71/92/93/598719293.db2.gz LCFPWVLZQYSEKU-UHFFFAOYSA-N -1 1 361.361 2.017 20 0 FEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1 ZINC000808128513 674443376 /nfs/dbraw/zinc/44/33/76/674443376.db2.gz YKTXAXPFOGQREH-UHFFFAOYSA-N -1 1 362.363 2.336 20 0 FEADMM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738343375 598809569 /nfs/dbraw/zinc/80/95/69/598809569.db2.gz YAICMMWEQNQRCW-UHFFFAOYSA-N -1 1 371.422 2.456 20 0 FEADMM CC(C)c1ccc(-c2noc(Cn3cccc(-c4nn[n-]n4)c3=O)n2)cc1 ZINC000735923522 598818430 /nfs/dbraw/zinc/81/84/30/598818430.db2.gz WULAXMAKVRDASL-UHFFFAOYSA-N -1 1 363.381 2.250 20 0 FEADMM CCOc1ccccc1C1=NC(=Cc2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC000821431747 599309094 /nfs/dbraw/zinc/30/90/94/599309094.db2.gz YRFVQAYTCAJSLS-XFXZXTDPSA-N -1 1 351.322 2.203 20 0 FEADMM CCOc1ccccc1C1=NC(=Cc2ccc(-c3nn[n-]n3)o2)C(=O)O1 ZINC000821431747 599309097 /nfs/dbraw/zinc/30/90/97/599309097.db2.gz YRFVQAYTCAJSLS-XFXZXTDPSA-N -1 1 351.322 2.203 20 0 FEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823601226 599359535 /nfs/dbraw/zinc/35/95/35/599359535.db2.gz WZUWROPLBYGYNH-GWCFXTLKSA-N -1 1 367.862 2.473 20 0 FEADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736963866 599378925 /nfs/dbraw/zinc/37/89/25/599378925.db2.gz UTYFJPDSFULQDP-MEBBXXQBSA-N -1 1 372.816 2.421 20 0 FEADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736963866 599378931 /nfs/dbraw/zinc/37/89/31/599378931.db2.gz UTYFJPDSFULQDP-MEBBXXQBSA-N -1 1 372.816 2.421 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000821979836 599486628 /nfs/dbraw/zinc/48/66/28/599486628.db2.gz ZFSRAOHJLOEPBT-GARJFASQSA-N -1 1 374.470 2.388 20 0 FEADMM O=C(CNc1cc(-c2nnn[n-]2)nc2ccccc21)NC1CCCCC1 ZINC000823009343 599504614 /nfs/dbraw/zinc/50/46/14/599504614.db2.gz DLERDWUXGSODGC-UHFFFAOYSA-N -1 1 351.414 2.276 20 0 FEADMM O=C(CNc1cc(-c2nn[n-]n2)nc2ccccc21)NC1CCCCC1 ZINC000823009343 599504616 /nfs/dbraw/zinc/50/46/16/599504616.db2.gz DLERDWUXGSODGC-UHFFFAOYSA-N -1 1 351.414 2.276 20 0 FEADMM c1ccc(-n2nnnc2CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000823771909 599546297 /nfs/dbraw/zinc/54/62/97/599546297.db2.gz FDZOGBALAKTBOI-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM c1ccc(-n2nnnc2CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000823771909 599546299 /nfs/dbraw/zinc/54/62/99/599546299.db2.gz FDZOGBALAKTBOI-UHFFFAOYSA-N -1 1 370.380 2.003 20 0 FEADMM CC[C@H](COC)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736350405 599576167 /nfs/dbraw/zinc/57/61/67/599576167.db2.gz AFOBYXGQYFIDFA-SNVBAGLBSA-N -1 1 362.459 2.016 20 0 FEADMM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820973627 599683979 /nfs/dbraw/zinc/68/39/79/599683979.db2.gz YQLAVQVJURIXPP-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820973627 599683980 /nfs/dbraw/zinc/68/39/80/599683980.db2.gz YQLAVQVJURIXPP-UWVGGRQHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000184917821 599726582 /nfs/dbraw/zinc/72/65/82/599726582.db2.gz BYBSHVONPQKZMN-NSHDSACASA-N -1 1 360.863 2.048 20 0 FEADMM Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000738988552 599779482 /nfs/dbraw/zinc/77/94/82/599779482.db2.gz YVAWIXHDVLOBQU-ZDUSSCGKSA-N -1 1 374.784 2.452 20 0 FEADMM Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c([O-])c1 ZINC000557938357 674475611 /nfs/dbraw/zinc/47/56/11/674475611.db2.gz LBNQAABFHBLLMB-LLVKDONJSA-N -1 1 359.348 2.159 20 0 FEADMM Cc1cc(COC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)oc1C(=O)[O-] ZINC000738392425 599884745 /nfs/dbraw/zinc/88/47/45/599884745.db2.gz MNDDQFJYLSCNEN-JTQLQIEISA-N -1 1 371.349 2.024 20 0 FEADMM O=C([O-])c1ccc(OCCNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000740165370 599920701 /nfs/dbraw/zinc/92/07/01/599920701.db2.gz NPWWAFKLMSWOFU-UHFFFAOYSA-N -1 1 352.346 2.035 20 0 FEADMM CC(C)(NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)[O-] ZINC000736338974 599927714 /nfs/dbraw/zinc/92/77/14/599927714.db2.gz ACVZFEWXYCGTIA-UHFFFAOYSA-N -1 1 361.423 2.392 20 0 FEADMM O=C([O-])c1ccc(COC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000739249373 599965711 /nfs/dbraw/zinc/96/57/11/599965711.db2.gz RDCBTFUFNDCMGZ-UHFFFAOYSA-N -1 1 367.361 2.124 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738872144 599992380 /nfs/dbraw/zinc/99/23/80/599992380.db2.gz BOZCFHQZIJDFGY-SNVBAGLBSA-N -1 1 359.338 2.190 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737700292 600092793 /nfs/dbraw/zinc/09/27/93/600092793.db2.gz PYBPDKSCWZXIKW-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM O=C([O-])C1(NCC(=O)NCC2(c3ccccc3)CCOCC2)CCCCC1 ZINC000739307806 600151992 /nfs/dbraw/zinc/15/19/92/600151992.db2.gz CHNMUFXENTWQER-UHFFFAOYSA-N -1 1 374.481 2.228 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c2cccnc12 ZINC000581918718 600177364 /nfs/dbraw/zinc/17/73/64/600177364.db2.gz CBQTVKVDRJGNPB-UHFFFAOYSA-N -1 1 374.374 2.448 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCc3ccccc3CC2)cc1 ZINC000740024419 600217927 /nfs/dbraw/zinc/21/79/27/600217927.db2.gz FMUNRDRYKZFSJP-UHFFFAOYSA-N -1 1 353.422 2.494 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c(F)cc1F ZINC000740089301 600232747 /nfs/dbraw/zinc/23/27/47/600232747.db2.gz DJAOTSSGAJFKKY-UHFFFAOYSA-N -1 1 370.289 2.311 20 0 FEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c1 ZINC000071091598 600258148 /nfs/dbraw/zinc/25/81/48/600258148.db2.gz WYIFUKLJQSWFOT-UHFFFAOYSA-N -1 1 366.782 2.334 20 0 FEADMM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NCc1nnc[nH]1 ZINC000739450571 600267699 /nfs/dbraw/zinc/26/76/99/600267699.db2.gz NZECFFUSSSVCEF-UHFFFAOYSA-N -1 1 358.379 2.318 20 0 FEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000740075047 600290234 /nfs/dbraw/zinc/29/02/34/600290234.db2.gz VLUJQNVZHKZAJJ-LSDHHAIUSA-N -1 1 367.833 2.101 20 0 FEADMM CCOc1ccc(CN(C)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737205819 600294194 /nfs/dbraw/zinc/29/41/94/600294194.db2.gz RVHYAFSJDVPXST-KRWDZBQOSA-N -1 1 360.454 2.230 20 0 FEADMM CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000737148446 600311305 /nfs/dbraw/zinc/31/13/05/600311305.db2.gz MPJONSAZLVZZIB-ZDUSSCGKSA-N -1 1 362.426 2.178 20 0 FEADMM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)CC(C)(C)O ZINC000737069890 600396755 /nfs/dbraw/zinc/39/67/55/600396755.db2.gz YQUFWLBMKIMNGD-UHFFFAOYSA-N -1 1 354.472 2.356 20 0 FEADMM O=C([O-])[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1 ZINC000739499760 600429439 /nfs/dbraw/zinc/42/94/39/600429439.db2.gz JUPDOLXCUVQKKX-GOSISDBHSA-N -1 1 372.396 2.214 20 0 FEADMM COCCN(CC(=O)[O-])C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000578137381 600446631 /nfs/dbraw/zinc/44/66/31/600446631.db2.gz FQNLCKUDRPNQQS-HNNXBMFYSA-N -1 1 356.422 2.188 20 0 FEADMM CC(C)CCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000736436607 600530718 /nfs/dbraw/zinc/53/07/18/600530718.db2.gz VBZFIIOOZCYXJE-UHFFFAOYSA-N -1 1 351.428 2.357 20 0 FEADMM Cc1[nH]c(C(=O)NC2CCN(Cc3cccnc3)CC2)c(C)c1C(=O)[O-] ZINC000738155464 600552111 /nfs/dbraw/zinc/55/21/11/600552111.db2.gz NDZINMXXQSQZLU-UHFFFAOYSA-N -1 1 356.426 2.119 20 0 FEADMM O=C([O-])CCCc1nnc(NC(=O)c2cc(=O)c3ccccc3[nH]2)s1 ZINC000739710789 600555006 /nfs/dbraw/zinc/55/50/06/600555006.db2.gz IHAQNNBRQHWOCN-UHFFFAOYSA-N -1 1 358.379 2.039 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809249096 674488704 /nfs/dbraw/zinc/48/87/04/674488704.db2.gz OYEPEDPYINRFRF-ASHKBJFXSA-N -1 1 350.381 2.107 20 0 FEADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000736763334 600666648 /nfs/dbraw/zinc/66/66/48/600666648.db2.gz WWLNNPFVYSMLGH-KBPBESRZSA-N -1 1 361.442 2.033 20 0 FEADMM CS(=O)(=O)c1cccc([C@H](NCC(=O)[O-])c2cc(F)ccc2F)c1 ZINC000738141422 600681118 /nfs/dbraw/zinc/68/11/18/600681118.db2.gz XYIYGYXRRCWWTF-INIZCTEOSA-N -1 1 355.362 2.132 20 0 FEADMM O=C([O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000740066191 600685842 /nfs/dbraw/zinc/68/58/42/600685842.db2.gz MIJMBPWESBNSGD-DOTOQJQBSA-N -1 1 352.390 2.268 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)ccc1C(=O)[O-] ZINC000832903701 600709813 /nfs/dbraw/zinc/70/98/13/600709813.db2.gz SDHUTBAIOMMSBN-KBPBESRZSA-N -1 1 354.472 2.234 20 0 FEADMM Cc1cc(S(=O)(=O)N(CC(C)C)C2CCN(C)CC2)ccc1C(=O)[O-] ZINC000832901267 600721702 /nfs/dbraw/zinc/72/17/02/600721702.db2.gz PKGVCLHJNXBYFA-UHFFFAOYSA-N -1 1 368.499 2.434 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1csc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390678157 600744847 /nfs/dbraw/zinc/74/48/47/600744847.db2.gz YLWMUVDVLWJZER-LBPRGKRZSA-N -1 1 368.480 2.245 20 0 FEADMM CC(C)(CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)NS(C)(=O)=O ZINC000826606997 600748507 /nfs/dbraw/zinc/74/85/07/600748507.db2.gz FPFCABKGGUCLNU-NSHDSACASA-N -1 1 369.270 2.037 20 0 FEADMM Cc1ccc2nc(CNC(=O)NCc3cccc(OCC(=O)[O-])c3)[nH]c2c1 ZINC000832958586 600751305 /nfs/dbraw/zinc/75/13/05/600751305.db2.gz AUCKDBABDXZLMQ-UHFFFAOYSA-N -1 1 368.393 2.334 20 0 FEADMM COc1ccc(Cl)cc1C[C@@H]1CCCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000738014733 600796874 /nfs/dbraw/zinc/79/68/74/600796874.db2.gz YYGKFSYYQKQGPT-STQMWFEESA-N -1 1 368.861 2.192 20 0 FEADMM CCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000326734899 600808607 /nfs/dbraw/zinc/80/86/07/600808607.db2.gz IBHKKPQXPSIUJG-UHFFFAOYSA-N -1 1 366.395 2.091 20 0 FEADMM O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000833221554 600966387 /nfs/dbraw/zinc/96/63/87/600966387.db2.gz HZBBPVCLGMCEFL-INIZCTEOSA-N -1 1 357.435 2.279 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000630226268 601085836 /nfs/dbraw/zinc/08/58/36/601085836.db2.gz ZQXLMYNPIDHKIH-ZDUSSCGKSA-N -1 1 350.846 2.379 20 0 FEADMM Cc1nc(-c2c[nH]c(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c2)cs1 ZINC000630221463 601086205 /nfs/dbraw/zinc/08/62/05/601086205.db2.gz BCHXTAINNUQOCQ-LLVKDONJSA-N -1 1 362.455 2.068 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(O)c2)c(C(=O)[O-])s1 ZINC000737679948 601117404 /nfs/dbraw/zinc/11/74/04/601117404.db2.gz FENSHFYOVRLUIE-UHFFFAOYSA-N -1 1 371.392 2.048 20 0 FEADMM O=C(CN1CCN2CCCC[C@@H]2C1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833108309 601171647 /nfs/dbraw/zinc/17/16/47/601171647.db2.gz NSEYPEVSBBHOKJ-GFCCVEGCSA-N -1 1 363.483 2.044 20 0 FEADMM O=C([O-])C[C@@H](O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000833265100 601207799 /nfs/dbraw/zinc/20/77/99/601207799.db2.gz SSCFABAQKXYECA-SECBINFHSA-N -1 1 358.217 2.162 20 0 FEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829119570 601244322 /nfs/dbraw/zinc/24/43/22/601244322.db2.gz SHWVHTDNJYGKOT-JXMNSVBMSA-N -1 1 366.483 2.327 20 0 FEADMM O=C([O-])c1sc(NC[C@@H](O)CN2CCc3ccccc3C2)nc1Cl ZINC000833346198 601248810 /nfs/dbraw/zinc/24/88/10/601248810.db2.gz JUOPFOZQEQDKKS-GFCCVEGCSA-N -1 1 367.858 2.326 20 0 FEADMM CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1C ZINC000829758915 601249646 /nfs/dbraw/zinc/24/96/46/601249646.db2.gz DWBRSDXTXIDRGF-BNGMYCFISA-N -1 1 366.483 2.278 20 0 FEADMM COC(=O)c1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1C ZINC000831327358 601333856 /nfs/dbraw/zinc/33/38/56/601333856.db2.gz IXSZXZDGIMITLQ-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccnc2-n2cccn2)c1C ZINC000832866853 601360263 /nfs/dbraw/zinc/36/02/63/601360263.db2.gz XLTGTCIHOWGOFT-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM O=C([O-])[C@@]1(F)CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000833175699 601439180 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FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000830604021 601799887 /nfs/dbraw/zinc/79/98/87/601799887.db2.gz CUPIOFHCXQWVBP-UHFFFAOYSA-N -1 1 372.462 2.409 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000662218014 601840011 /nfs/dbraw/zinc/84/00/11/601840011.db2.gz JXOJCQLWWHGWFE-GOSISDBHSA-N -1 1 373.497 2.206 20 0 FEADMM O=C([O-])CCC1CCN(CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000662219103 601840986 /nfs/dbraw/zinc/84/09/86/601840986.db2.gz ZQMKDXSSBHFLNA-UHFFFAOYSA-N -1 1 354.397 2.200 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000821446270 601879578 /nfs/dbraw/zinc/87/95/78/601879578.db2.gz GSYHAIYCOIZGAJ-UHFFFAOYSA-N -1 1 369.356 2.308 20 0 FEADMM O=C([O-])c1cccc(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000821446270 601879582 /nfs/dbraw/zinc/87/95/82/601879582.db2.gz GSYHAIYCOIZGAJ-UHFFFAOYSA-N -1 1 369.356 2.308 20 0 FEADMM CCN(CC)C(=O)[C@H](c1ccccc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000829642696 601927562 /nfs/dbraw/zinc/92/75/62/601927562.db2.gz OHBBFNLLOAOQAA-WBVHZDCISA-N -1 1 350.484 2.488 20 0 FEADMM C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738598472 601941589 /nfs/dbraw/zinc/94/15/89/601941589.db2.gz AJMIKGYMXKLKEL-VXGBXAGGSA-N -1 1 371.840 2.416 20 0 FEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738630106 601943561 /nfs/dbraw/zinc/94/35/61/601943561.db2.gz JMJKROKOWCYAFX-CABCVRRESA-N -1 1 360.458 2.203 20 0 FEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000828019699 601944297 /nfs/dbraw/zinc/94/42/97/601944297.db2.gz BIBBQISEGYTHEG-INIZCTEOSA-N -1 1 358.360 2.374 20 0 FEADMM CC[C@@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000739262754 601944512 /nfs/dbraw/zinc/94/45/12/601944512.db2.gz MDNLPOLUKYICIO-IUODEOHRSA-N -1 1 353.850 2.497 20 0 FEADMM COC(=O)[C@@H](N=c1nc(C)[nH]c2sc(C(=O)[O-])c(C)c21)C(C)(C)C ZINC000831084255 601945635 /nfs/dbraw/zinc/94/56/35/601945635.db2.gz JIHWNMGJJWJVSH-LLVKDONJSA-N -1 1 351.428 2.428 20 0 FEADMM CN(Cc1cc(Cl)cn1C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000830806491 601966533 /nfs/dbraw/zinc/96/65/33/601966533.db2.gz NTHUOGVHZSDUPL-HNNXBMFYSA-N -1 1 352.818 2.248 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000832917761 602017198 /nfs/dbraw/zinc/01/71/98/602017198.db2.gz WXDLYOOXPBEMRA-GFCCVEGCSA-N -1 1 357.366 2.018 20 0 FEADMM COc1cc(-c2noc(CC3OCCO3)n2)cc(Br)c1[O-] ZINC000809470776 674494565 /nfs/dbraw/zinc/49/45/65/674494565.db2.gz MGMNZPBAPNFXIF-UHFFFAOYSA-N -1 1 357.160 2.129 20 0 FEADMM O=C([O-])c1nscc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000833347273 602156265 /nfs/dbraw/zinc/15/62/65/602156265.db2.gz WQQMXQCPDTWWDT-UHFFFAOYSA-N -1 1 350.324 2.244 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000739009472 602261440 /nfs/dbraw/zinc/26/14/40/602261440.db2.gz LYGANLJUZVUCOI-YNEHKIRRSA-N -1 1 365.396 2.298 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000739530945 602350581 /nfs/dbraw/zinc/35/05/81/602350581.db2.gz PRQLTSNYYBIBSD-HNNXBMFYSA-N -1 1 353.850 2.467 20 0 FEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739016215 602463466 /nfs/dbraw/zinc/46/34/66/602463466.db2.gz OGBCKIXHXCTVKE-QWHCGFSZSA-N -1 1 362.430 2.091 20 0 FEADMM C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560040 602529697 /nfs/dbraw/zinc/52/96/97/602529697.db2.gz AJXSOEAQEHLIRV-CQSZACIVSA-N -1 1 372.469 2.289 20 0 FEADMM C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738635923 602530658 /nfs/dbraw/zinc/53/06/58/602530658.db2.gz CBPZRSYDNOHXSI-UONOGXRCSA-N -1 1 356.426 2.494 20 0 FEADMM CCCN(CC(=O)NCc1cc(F)cc(F)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353632 602547396 /nfs/dbraw/zinc/54/73/96/602547396.db2.gz KYPAMPSRQKMZGW-HNNXBMFYSA-N -1 1 355.385 2.045 20 0 FEADMM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnnn1Cc1ccccc1 ZINC000739099598 602553803 /nfs/dbraw/zinc/55/38/03/602553803.db2.gz KKVQLGQQOUWFGR-KDOFPFPSSA-N -1 1 358.446 2.028 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1cccs1 ZINC000737950661 602561749 /nfs/dbraw/zinc/56/17/49/602561749.db2.gz MXHNHANSFQSAPZ-CYBMUJFWSA-N -1 1 354.476 2.135 20 0 FEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H]1C ZINC000824925760 607574518 /nfs/dbraw/zinc/57/45/18/607574518.db2.gz GRFXZAGWFPHAEY-GIPNMCIBSA-N -1 1 353.423 2.109 20 0 FEADMM COc1cc(C)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826178082 607575140 /nfs/dbraw/zinc/57/51/40/607575140.db2.gz JCAJKDYDZHCEPU-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM COc1cc(C)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826178082 607575141 /nfs/dbraw/zinc/57/51/41/607575141.db2.gz JCAJKDYDZHCEPU-UHFFFAOYSA-N -1 1 364.358 2.091 20 0 FEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000738825318 602602702 /nfs/dbraw/zinc/60/27/02/602602702.db2.gz OSOPKUTYFDVGCK-HNNXBMFYSA-N -1 1 350.419 2.255 20 0 FEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H]3CCN(C(=O)[O-])C3)[nH]c2c1 ZINC000740158135 602636131 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FEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000739967145 602909777 /nfs/dbraw/zinc/90/97/77/602909777.db2.gz GCNVVOGWFGDNFQ-MRXNPFEDSA-N -1 1 367.365 2.223 20 0 FEADMM CCCCCC[C@@](C)([N-]S(=O)(=O)c1c(C)onc1N)C(=O)OCC ZINC000809815672 674511925 /nfs/dbraw/zinc/51/19/25/674511925.db2.gz NPACMEVGJJDVSE-OAHLLOKOSA-N -1 1 361.464 2.136 20 0 FEADMM C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824928220 607595560 /nfs/dbraw/zinc/59/55/60/607595560.db2.gz SJVAJUOJWUZYNJ-GHMZBOCLSA-N -1 1 353.423 2.110 20 0 FEADMM C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824928220 607595562 /nfs/dbraw/zinc/59/55/62/607595562.db2.gz SJVAJUOJWUZYNJ-GHMZBOCLSA-N -1 1 353.423 2.110 20 0 FEADMM O=C([O-])NC[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000740611595 603048356 /nfs/dbraw/zinc/04/83/56/603048356.db2.gz MJIKBMVCHSHKKX-NSHDSACASA-N -1 1 367.203 2.101 20 0 FEADMM CC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825067000 607604750 /nfs/dbraw/zinc/60/47/50/607604750.db2.gz GCTHHHKWKQNQRA-MRVPVSSYSA-N -1 1 363.365 2.305 20 0 FEADMM CN(C)[C@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739608978 603100682 /nfs/dbraw/zinc/10/06/82/603100682.db2.gz RYUKUIPWEMISTP-UYSNPLJNSA-N -1 1 366.437 2.306 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1cccs1 ZINC000739609700 603104612 /nfs/dbraw/zinc/10/46/12/603104612.db2.gz XHTPYZKYTVRXEL-BPCQOVAHSA-N -1 1 354.476 2.229 20 0 FEADMM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000738996851 603132065 /nfs/dbraw/zinc/13/20/65/603132065.db2.gz SBZCECZNVCWFPD-ZWNOBZJWSA-N -1 1 359.348 2.052 20 0 FEADMM CN(CC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000737393772 603132966 /nfs/dbraw/zinc/13/29/66/603132966.db2.gz PJEPUTFVIHHXEL-CYBMUJFWSA-N -1 1 359.348 2.006 20 0 FEADMM COCCN(CC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1)C(=O)[O-] ZINC000739815833 603142011 /nfs/dbraw/zinc/14/20/11/603142011.db2.gz HSZKVVPWNNDXMJ-AWEZNQCLSA-N -1 1 374.441 2.204 20 0 FEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1cccc(F)c1 ZINC000739600875 603232941 /nfs/dbraw/zinc/23/29/41/603232941.db2.gz BLXRYVWYYHLGJD-CWRNSKLLSA-N -1 1 351.422 2.371 20 0 FEADMM C[C@@H]1CCC[C@H](C)[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824927455 607617699 /nfs/dbraw/zinc/61/76/99/607617699.db2.gz ORGVMHOBFUDBOC-MSRIBSCDSA-N -1 1 353.423 2.109 20 0 FEADMM O=C([O-])N[C@H](C(=O)N1CCN(CC2CC2)CC1)c1cccc(Cl)c1 ZINC000740530298 603283885 /nfs/dbraw/zinc/28/38/85/603283885.db2.gz OVJKSJSAWAYLLB-HNNXBMFYSA-N -1 1 351.834 2.203 20 0 FEADMM O=C([O-])N[C@H](C(=O)N1CCN2CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000740528776 603291241 /nfs/dbraw/zinc/29/12/41/603291241.db2.gz BBDAIDVMPWYBGD-GJZGRUSLSA-N -1 1 351.834 2.345 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000737085652 603295786 /nfs/dbraw/zinc/29/57/86/603295786.db2.gz PGLGASAJNSFCMR-KGLIPLIRSA-N -1 1 352.435 2.104 20 0 FEADMM O=C([O-])N[C@@H](CC(=O)Nc1nc(-c2ccco2)n[nH]1)Cc1ccccc1 ZINC000832113385 603455085 /nfs/dbraw/zinc/45/50/85/603455085.db2.gz CDUOOPGZBGEITQ-GFCCVEGCSA-N -1 1 355.354 2.272 20 0 FEADMM CCN(CC1CCN(CC(=O)NCCc2ccccc2C)CC1)C(=O)[O-] ZINC000827092859 603512900 /nfs/dbraw/zinc/51/29/00/603512900.db2.gz JIMRFVCZXCPDHJ-UHFFFAOYSA-N -1 1 361.486 2.366 20 0 FEADMM O=C([O-])N[C@H](CCC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000832119062 603560691 /nfs/dbraw/zinc/56/06/91/603560691.db2.gz GSVIKEVTVHZVOP-OAHLLOKOSA-N -1 1 357.414 2.300 20 0 FEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NCCN1CCc3ccccc3C1)C2 ZINC000831689505 603681939 /nfs/dbraw/zinc/68/19/39/603681939.db2.gz SGKDQNCSOCIRIF-AYHJJNSGSA-N -1 1 372.469 2.017 20 0 FEADMM C[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)[C@H]1CNC(=O)[O-] ZINC000825918610 603708438 /nfs/dbraw/zinc/70/84/38/603708438.db2.gz GNDRCXLHABCUFY-OCCSQVGLSA-N -1 1 351.472 2.001 20 0 FEADMM Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)N2CCCC2)o1 ZINC000830262168 603742072 /nfs/dbraw/zinc/74/20/72/603742072.db2.gz JDZPENRRRQTSMG-HIFRSBDPSA-N -1 1 364.446 2.119 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000826111045 603803315 /nfs/dbraw/zinc/80/33/15/603803315.db2.gz YCNKOYWKGPGGNB-XHDPSFHLSA-N -1 1 367.421 2.007 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1ccc(F)cc1 ZINC000828199633 603807151 /nfs/dbraw/zinc/80/71/51/603807151.db2.gz QDMCBBZEYREFEA-HZPDHXFCSA-N -1 1 366.437 2.212 20 0 FEADMM C[C@H](C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1)c1cccnc1 ZINC000823712537 603910499 /nfs/dbraw/zinc/91/04/99/603910499.db2.gz JEAROGBPVKUIJY-NSHDSACASA-N -1 1 366.381 2.377 20 0 FEADMM C[C@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1)c1cccnc1 ZINC000823712537 603910500 /nfs/dbraw/zinc/91/05/00/603910500.db2.gz JEAROGBPVKUIJY-NSHDSACASA-N -1 1 366.381 2.377 20 0 FEADMM C[C@H](C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1)C(F)(F)F ZINC000823714600 603910590 /nfs/dbraw/zinc/91/05/90/603910590.db2.gz PYLJOQMOAXZODZ-SSDOTTSWSA-N -1 1 357.292 2.376 20 0 FEADMM C[C@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1)C(F)(F)F ZINC000823714600 603910591 /nfs/dbraw/zinc/91/05/91/603910591.db2.gz PYLJOQMOAXZODZ-SSDOTTSWSA-N -1 1 357.292 2.376 20 0 FEADMM CC(=O)c1ccc(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000823632633 603972579 /nfs/dbraw/zinc/97/25/79/603972579.db2.gz NFENPCSSHPZDAC-SJORKVTESA-N -1 1 359.426 2.435 20 0 FEADMM CC1(C)CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824801695 607665135 /nfs/dbraw/zinc/66/51/35/607665135.db2.gz GPWQXKBIFZMNIL-NSHDSACASA-N -1 1 355.851 2.377 20 0 FEADMM CC1(C)CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824801695 607665137 /nfs/dbraw/zinc/66/51/37/607665137.db2.gz GPWQXKBIFZMNIL-NSHDSACASA-N -1 1 355.851 2.377 20 0 FEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000830084067 604045663 /nfs/dbraw/zinc/04/56/63/604045663.db2.gz GIDNWBLTEJVADM-IBGZPJMESA-N -1 1 360.458 2.075 20 0 FEADMM CC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCCC1 ZINC000824824317 607668904 /nfs/dbraw/zinc/66/89/04/607668904.db2.gz UVWRBIIJAAPSOH-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM CC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCCC1 ZINC000824824317 607668906 /nfs/dbraw/zinc/66/89/06/607668906.db2.gz UVWRBIIJAAPSOH-UHFFFAOYSA-N -1 1 353.423 2.255 20 0 FEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCOC2(CCCCC2)C1 ZINC000832757981 604062637 /nfs/dbraw/zinc/06/26/37/604062637.db2.gz RUSLETVBKRRLBF-ROUUACIJSA-N -1 1 362.470 2.261 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000825229834 604114875 /nfs/dbraw/zinc/11/48/75/604114875.db2.gz WBADZQUENCLFTR-WBVHZDCISA-N -1 1 374.485 2.122 20 0 FEADMM CC(C)N(CC(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824288306 607674610 /nfs/dbraw/zinc/67/46/10/607674610.db2.gz CKDDQUVVSRGFCX-UHFFFAOYSA-N -1 1 365.793 2.184 20 0 FEADMM CC(C)N(CC(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824288306 607674611 /nfs/dbraw/zinc/67/46/11/607674611.db2.gz CKDDQUVVSRGFCX-UHFFFAOYSA-N -1 1 365.793 2.184 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000825264655 604195915 /nfs/dbraw/zinc/19/59/15/604195915.db2.gz MLDAYKFYVJSPHU-OCCSQVGLSA-N -1 1 353.850 2.324 20 0 FEADMM C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825937555 604227836 /nfs/dbraw/zinc/22/78/36/604227836.db2.gz JQJAIYOWTKNVJP-HNNXBMFYSA-N -1 1 351.491 2.488 20 0 FEADMM COc1cccc(-c2cc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)n[nH]2)c1 ZINC000832510436 604280224 /nfs/dbraw/zinc/28/02/24/604280224.db2.gz MNKYOWJUHMZLEG-OAHLLOKOSA-N -1 1 373.409 2.181 20 0 FEADMM COc1cccc(-c2cc(C(=O)N(CCC(=O)[O-])C3CCOCC3)n[nH]2)c1 ZINC000583127278 604296248 /nfs/dbraw/zinc/29/62/48/604296248.db2.gz GGTIXTDCXKVUDK-UHFFFAOYSA-N -1 1 373.409 2.181 20 0 FEADMM C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828449703 604332785 /nfs/dbraw/zinc/33/27/85/604332785.db2.gz MWBPDDDLRFLLDM-BETUJISGSA-N -1 1 352.406 2.143 20 0 FEADMM COc1cc(OC)cc([C@H](OC(=O)c2[nH]nc3c2CCCC3)C(=O)[O-])c1 ZINC000832073928 604562610 /nfs/dbraw/zinc/56/26/10/604562610.db2.gz KNSGHMVCBKBRSF-INIZCTEOSA-N -1 1 360.366 2.288 20 0 FEADMM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000825383233 604615448 /nfs/dbraw/zinc/61/54/48/604615448.db2.gz NJNVFPUJIXAHPM-RHSMWYFYSA-N -1 1 360.458 2.395 20 0 FEADMM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000825383255 604615712 /nfs/dbraw/zinc/61/57/12/604615712.db2.gz NTHSOISCKZBPLM-CQSZACIVSA-N -1 1 360.458 2.252 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc3nc(C)[nH]c3c2)cc1C(=O)[O-] ZINC000326849097 604755438 /nfs/dbraw/zinc/75/54/38/604755438.db2.gz FAWVACYQTZGINO-UHFFFAOYSA-N -1 1 361.379 2.379 20 0 FEADMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000737700606 604771928 /nfs/dbraw/zinc/77/19/28/604771928.db2.gz LEQMYFFFQDTZPW-LLVKDONJSA-N -1 1 359.348 2.178 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CNC(=O)[O-])n[nH]2)cc1 ZINC000829233795 604780693 /nfs/dbraw/zinc/78/06/93/604780693.db2.gz GYXNMDWTYQMRIP-ZDUSSCGKSA-N -1 1 358.398 2.348 20 0 FEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCc3c(cccc3N3CCOC3=O)C2)O1 ZINC000833581585 604831581 /nfs/dbraw/zinc/83/15/81/604831581.db2.gz WXDWNDVWLZDMNY-AWEZNQCLSA-N -1 1 358.394 2.149 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2ccc(C)nc2C)c(OC)c1C(=O)[O-] ZINC000833734395 604861120 /nfs/dbraw/zinc/86/11/20/604861120.db2.gz BKQJQFWJPYKLSF-UHFFFAOYSA-N -1 1 366.395 2.215 20 0 FEADMM COc1ccc2sc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c(C)c2c1 ZINC000833734722 604901894 /nfs/dbraw/zinc/90/18/94/604901894.db2.gz CZVQZYUFSWAGEZ-ZDUSSCGKSA-N -1 1 359.407 2.367 20 0 FEADMM C[C@H](CC(=O)N1C[C@H]2CCCCN2C[C@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824563643 604923981 /nfs/dbraw/zinc/92/39/81/604923981.db2.gz CTRBOGQBAFYJRC-BFYDXBDKSA-N -1 1 351.491 2.488 20 0 FEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC000833549900 604935524 /nfs/dbraw/zinc/93/55/24/604935524.db2.gz IBMXYYGEFLFYDR-YOEHRIQHSA-N -1 1 360.458 2.256 20 0 FEADMM O=C([O-])CCc1csc(NC(=O)NCCN2CCc3ccccc3C2)n1 ZINC000833239753 604982786 /nfs/dbraw/zinc/98/27/86/604982786.db2.gz KZOYWHOGPHGPKX-UHFFFAOYSA-N -1 1 374.466 2.340 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833545874 604984046 /nfs/dbraw/zinc/98/40/46/604984046.db2.gz BAFVAQVYEDEDNT-SJCJKPOMSA-N -1 1 368.861 2.017 20 0 FEADMM O=C([O-])c1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1F ZINC000833147490 604998371 /nfs/dbraw/zinc/99/83/71/604998371.db2.gz GBURVFRIZJLDKJ-UHFFFAOYSA-N -1 1 358.304 2.378 20 0 FEADMM O=C([O-])c1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1F ZINC000833147490 604998376 /nfs/dbraw/zinc/99/83/76/604998376.db2.gz GBURVFRIZJLDKJ-UHFFFAOYSA-N -1 1 358.304 2.378 20 0 FEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCN1C ZINC000833595787 605002734 /nfs/dbraw/zinc/00/27/34/605002734.db2.gz IAJYQAGRSMNIEA-QWRGUYRKSA-N -1 1 360.863 2.141 20 0 FEADMM C[C@H](CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-])N1CCCC[C@H]1C ZINC000833615972 605017393 /nfs/dbraw/zinc/01/73/93/605017393.db2.gz UCMROYOFHKSCGR-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM CC(C)c1nc([C@H](C)NC(=O)Nc2nnc(CCCC(=O)[O-])s2)n[nH]1 ZINC000833512562 605019558 /nfs/dbraw/zinc/01/95/58/605019558.db2.gz PVJQWQMWWTVPMP-QMMMGPOBSA-N -1 1 367.435 2.070 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000833625566 605048020 /nfs/dbraw/zinc/04/80/20/605048020.db2.gz NFTALBZTPLSDAK-NSHDSACASA-N -1 1 357.813 2.170 20 0 FEADMM Cc1ccc(C[C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)c1 ZINC000833748606 605052642 /nfs/dbraw/zinc/05/26/42/605052642.db2.gz PQCZZXHYHCDGFZ-DLBZAZTESA-N -1 1 361.486 2.425 20 0 FEADMM C[C@H](CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)c1ccc(F)cc1F ZINC000630219934 605079607 /nfs/dbraw/zinc/07/96/07/605079607.db2.gz KFSYFRVNUNSTTF-CHWSQXEVSA-N -1 1 354.397 2.466 20 0 FEADMM O=C([O-])N1CCC(n2cccc2C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000831594128 605126284 /nfs/dbraw/zinc/12/62/84/605126284.db2.gz ZBHHLJBOKGRGIP-AWEZNQCLSA-N -1 1 357.414 2.334 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)cc1Br ZINC000833623096 605155875 /nfs/dbraw/zinc/15/58/75/605155875.db2.gz DLKXZFIRPPOHJK-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)nn1C1CCCCC1 ZINC000833742213 605158270 /nfs/dbraw/zinc/15/82/70/605158270.db2.gz IGOOSNANHFCNAJ-HNNXBMFYSA-N -1 1 362.474 2.318 20 0 FEADMM C[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)[C@@H](C)CN1Cc1ccccc1 ZINC000833624642 605173463 /nfs/dbraw/zinc/17/34/63/605173463.db2.gz UHKOSNGCIVIVAX-RYRKJORJSA-N -1 1 374.485 2.433 20 0 FEADMM C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833624469 605209111 /nfs/dbraw/zinc/20/91/11/605209111.db2.gz ILEQLCBWXLBXLS-VIFPVBQESA-N -1 1 361.225 2.320 20 0 FEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000833713894 605213465 /nfs/dbraw/zinc/21/34/65/605213465.db2.gz YBQDJCKUWGGUJH-UPJWGTAASA-N -1 1 362.426 2.476 20 0 FEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000833732071 605229184 /nfs/dbraw/zinc/22/91/84/605229184.db2.gz KIZHSBVSYRTNFC-INIZCTEOSA-N -1 1 366.377 2.426 20 0 FEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833540199 605253406 /nfs/dbraw/zinc/25/34/06/605253406.db2.gz KCANXDSILHOGPT-QWHCGFSZSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CCN1CCC(=O)[O-] ZINC000833617651 605258625 /nfs/dbraw/zinc/25/86/25/605258625.db2.gz FXXISZXHQQYBBL-KYOSRNDESA-N -1 1 352.381 2.076 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000833618553 605268397 /nfs/dbraw/zinc/26/83/97/605268397.db2.gz CNVJLRGFLJWXOI-IUODEOHRSA-N -1 1 350.846 2.377 20 0 FEADMM CCC(CC)n1nc(C)cc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833642097 605268480 /nfs/dbraw/zinc/26/84/80/605268480.db2.gz ZPGBFALHMWSERT-AWEZNQCLSA-N -1 1 350.463 2.174 20 0 FEADMM C[C@@H]1CN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)CCN1CCC(=O)[O-] ZINC000833618632 605276713 /nfs/dbraw/zinc/27/67/13/605276713.db2.gz PTUQEULOFBGGDP-CFHLNLSMSA-N -1 1 365.499 2.461 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)CCN1CCC(=O)[O-] ZINC000833620202 605279027 /nfs/dbraw/zinc/27/90/27/605279027.db2.gz FEMNSOWBAMLZLY-OAHLLOKOSA-N -1 1 355.438 2.313 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3cc(F)cc(F)c3)C[C@H]21 ZINC000834187654 605433965 /nfs/dbraw/zinc/43/39/65/605433965.db2.gz LDEOCCQGRGEYHC-COLVAYQJSA-N -1 1 353.369 2.271 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000833999081 605459736 /nfs/dbraw/zinc/45/97/36/605459736.db2.gz ZBYRHOKKOBHJEV-ZDUSSCGKSA-N -1 1 361.377 2.150 20 0 FEADMM O=C([O-])N1CCC[C@H]1CCC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000833999081 605459738 /nfs/dbraw/zinc/45/97/38/605459738.db2.gz ZBYRHOKKOBHJEV-ZDUSSCGKSA-N -1 1 361.377 2.150 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000833405617 605493599 /nfs/dbraw/zinc/49/35/99/605493599.db2.gz XCKHBAPJJCULFX-KBRIMQKVSA-N -1 1 362.470 2.118 20 0 FEADMM CCc1[nH]c(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000833667886 605523312 /nfs/dbraw/zinc/52/33/12/605523312.db2.gz KTQJXBJFMQDXAX-HNNXBMFYSA-N -1 1 353.382 2.221 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000827994513 605599605 /nfs/dbraw/zinc/59/96/05/605599605.db2.gz LRNYVWJUAPQENI-KGLIPLIRSA-N -1 1 366.487 2.277 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000833627510 605634841 /nfs/dbraw/zinc/63/48/41/605634841.db2.gz XBWWWMIRSWNPBH-CRAIPNDOSA-N -1 1 360.454 2.202 20 0 FEADMM O=C([O-])NC[C@@H]1CCCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000834216229 605950576 /nfs/dbraw/zinc/95/05/76/605950576.db2.gz PGXYRGAEGABUDT-LSDHHAIUSA-N -1 1 364.446 2.248 20 0 FEADMM CCCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833856132 605982129 /nfs/dbraw/zinc/98/21/29/605982129.db2.gz XXBXZCQYTZDVBQ-KRWDZBQOSA-N -1 1 351.422 2.373 20 0 FEADMM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000834131671 606027307 /nfs/dbraw/zinc/02/73/07/606027307.db2.gz AZMMRIGZPYSZPJ-CYBMUJFWSA-N -1 1 373.425 2.465 20 0 FEADMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821616999 606033553 /nfs/dbraw/zinc/03/35/53/606033553.db2.gz RHGADVPGLAUQOR-UHFFFAOYSA-N -1 1 369.332 2.009 20 0 FEADMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821616999 606033556 /nfs/dbraw/zinc/03/35/56/606033556.db2.gz RHGADVPGLAUQOR-UHFFFAOYSA-N -1 1 369.332 2.009 20 0 FEADMM COc1cc(S(=O)(=O)[N-]CC(C)(F)F)c(OC)cc1Br ZINC000559138255 674529375 /nfs/dbraw/zinc/52/93/75/674529375.db2.gz FCGUEIRHYYRNTC-UHFFFAOYSA-N -1 1 374.203 2.400 20 0 FEADMM COCC1(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCCC1 ZINC000559095033 674527859 /nfs/dbraw/zinc/52/78/59/674527859.db2.gz KPBFDYOMEMXUED-UHFFFAOYSA-N -1 1 369.409 2.314 20 0 FEADMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820225629 606156226 /nfs/dbraw/zinc/15/62/26/606156226.db2.gz NGVXTGVIPWVDQJ-LBPRGKRZSA-N -1 1 368.445 2.478 20 0 FEADMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820225629 606156227 /nfs/dbraw/zinc/15/62/27/606156227.db2.gz NGVXTGVIPWVDQJ-LBPRGKRZSA-N -1 1 368.445 2.478 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000822609870 606160195 /nfs/dbraw/zinc/16/01/95/606160195.db2.gz XNWADFMSJNDEBO-ZDUSSCGKSA-N -1 1 356.365 2.108 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000822609870 606160196 /nfs/dbraw/zinc/16/01/96/606160196.db2.gz XNWADFMSJNDEBO-ZDUSSCGKSA-N -1 1 356.365 2.108 20 0 FEADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000822351851 606161501 /nfs/dbraw/zinc/16/15/01/606161501.db2.gz RPIXTSFQWBHOPV-OLZOCXBDSA-N -1 1 366.429 2.319 20 0 FEADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000822351851 606161503 /nfs/dbraw/zinc/16/15/03/606161503.db2.gz RPIXTSFQWBHOPV-OLZOCXBDSA-N -1 1 366.429 2.319 20 0 FEADMM Cc1ccccc1[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000822350986 606161555 /nfs/dbraw/zinc/16/15/55/606161555.db2.gz ISACXFLDLTZZMX-AWEZNQCLSA-N -1 1 354.418 2.427 20 0 FEADMM Cc1ccccc1[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000822350986 606161557 /nfs/dbraw/zinc/16/15/57/606161557.db2.gz ISACXFLDLTZZMX-AWEZNQCLSA-N -1 1 354.418 2.427 20 0 FEADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820219901 606163299 /nfs/dbraw/zinc/16/32/99/606163299.db2.gz LCJFJNAYBLQBDI-LBPRGKRZSA-N -1 1 366.429 2.433 20 0 FEADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820219901 606163301 /nfs/dbraw/zinc/16/33/01/606163301.db2.gz LCJFJNAYBLQBDI-LBPRGKRZSA-N -1 1 366.429 2.433 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)n1 ZINC000822604944 606169889 /nfs/dbraw/zinc/16/98/89/606169889.db2.gz RJHPPUNVZRLPLW-UHFFFAOYSA-N -1 1 374.355 2.075 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)n1 ZINC000822604944 606169891 /nfs/dbraw/zinc/16/98/91/606169891.db2.gz RJHPPUNVZRLPLW-UHFFFAOYSA-N -1 1 374.355 2.075 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000822609630 606170470 /nfs/dbraw/zinc/17/04/70/606170470.db2.gz SMPIXIJDMVTJPW-LLVKDONJSA-N -1 1 372.820 2.275 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000822609630 606170472 /nfs/dbraw/zinc/17/04/72/606170472.db2.gz SMPIXIJDMVTJPW-LLVKDONJSA-N -1 1 372.820 2.275 20 0 FEADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820743140 606172488 /nfs/dbraw/zinc/17/24/88/606172488.db2.gz QUFRMXJNGVXLKG-TZMCWYRMSA-N -1 1 366.429 2.258 20 0 FEADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820743140 606172489 /nfs/dbraw/zinc/17/24/89/606172489.db2.gz QUFRMXJNGVXLKG-TZMCWYRMSA-N -1 1 366.429 2.258 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2cc(C)ccc2C)c1-c1nnn[n-]1 ZINC000822231789 606236732 /nfs/dbraw/zinc/23/67/32/606236732.db2.gz HNHFKTSHKGHRBJ-UHFFFAOYSA-N -1 1 358.427 2.290 20 0 FEADMM Cc1nsc(N(C)C(=O)COc2cc(C)ccc2C)c1-c1nn[n-]n1 ZINC000822231789 606236734 /nfs/dbraw/zinc/23/67/34/606236734.db2.gz HNHFKTSHKGHRBJ-UHFFFAOYSA-N -1 1 358.427 2.290 20 0 FEADMM CC(C)(C)c1nc(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cs1 ZINC000559249468 674533594 /nfs/dbraw/zinc/53/35/94/674533594.db2.gz MHRFYKXKEDONTN-UHFFFAOYSA-N -1 1 350.444 2.478 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000823530640 606293473 /nfs/dbraw/zinc/29/34/73/606293473.db2.gz NWUPLYRKYDFEKK-UHFFFAOYSA-N -1 1 364.365 2.099 20 0 FEADMM CCOc1cc(C(=O)N2CC(n3nc(C)nc3C)C2)cc(Cl)c1[O-] ZINC000559263079 674534332 /nfs/dbraw/zinc/53/43/32/674534332.db2.gz HNCLAEWERIRMDM-UHFFFAOYSA-N -1 1 350.806 2.350 20 0 FEADMM Clc1ccc(Sc2nnc(NC3CC3)s2)nc1-c1nnn[n-]1 ZINC000822582424 606442328 /nfs/dbraw/zinc/44/23/28/606442328.db2.gz STWCXCDOHMEXAY-UHFFFAOYSA-N -1 1 352.836 2.492 20 0 FEADMM Clc1ccc(Sc2nnc(NC3CC3)s2)nc1-c1nn[n-]n1 ZINC000822582424 606442330 /nfs/dbraw/zinc/44/23/30/606442330.db2.gz STWCXCDOHMEXAY-UHFFFAOYSA-N -1 1 352.836 2.492 20 0 FEADMM CCC(=O)Nc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820838517 606513225 /nfs/dbraw/zinc/51/32/25/606513225.db2.gz USDRPFYTCSQURB-UHFFFAOYSA-N -1 1 356.411 2.207 20 0 FEADMM CCC(=O)Nc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820838517 606513226 /nfs/dbraw/zinc/51/32/26/606513226.db2.gz USDRPFYTCSQURB-UHFFFAOYSA-N -1 1 356.411 2.207 20 0 FEADMM COCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821693973 606533435 /nfs/dbraw/zinc/53/34/35/606533435.db2.gz XGGFLNCCXXSUCT-UHFFFAOYSA-N -1 1 363.374 2.345 20 0 FEADMM COCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821693973 606533437 /nfs/dbraw/zinc/53/34/37/606533437.db2.gz XGGFLNCCXXSUCT-UHFFFAOYSA-N -1 1 363.374 2.345 20 0 FEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCO2 ZINC000819980235 606539027 /nfs/dbraw/zinc/53/90/27/606539027.db2.gz ACBKPJDCTUXRTD-UHFFFAOYSA-N -1 1 371.422 2.365 20 0 FEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCO2 ZINC000819980235 606539028 /nfs/dbraw/zinc/53/90/28/606539028.db2.gz ACBKPJDCTUXRTD-UHFFFAOYSA-N -1 1 371.422 2.365 20 0 FEADMM O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823223785 606546663 /nfs/dbraw/zinc/54/66/63/606546663.db2.gz JGTYQUVAFUEDCE-UHFFFAOYSA-N -1 1 360.468 2.236 20 0 FEADMM O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823223785 606546665 /nfs/dbraw/zinc/54/66/65/606546665.db2.gz JGTYQUVAFUEDCE-UHFFFAOYSA-N -1 1 360.468 2.236 20 0 FEADMM Cc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000822240075 606557295 /nfs/dbraw/zinc/55/72/95/606557295.db2.gz RGVLRWSVJNOLTP-UHFFFAOYSA-N -1 1 355.383 2.327 20 0 FEADMM Cc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000822240075 606557296 /nfs/dbraw/zinc/55/72/96/606557296.db2.gz RGVLRWSVJNOLTP-UHFFFAOYSA-N -1 1 355.383 2.327 20 0 FEADMM CCOc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000821394472 606563276 /nfs/dbraw/zinc/56/32/76/606563276.db2.gz KHELCLQGJCIFGC-UHFFFAOYSA-N -1 1 359.411 2.266 20 0 FEADMM CCOc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000821394472 606563277 /nfs/dbraw/zinc/56/32/77/606563277.db2.gz KHELCLQGJCIFGC-UHFFFAOYSA-N -1 1 359.411 2.266 20 0 FEADMM CO[C@H]1C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821679055 606605264 /nfs/dbraw/zinc/60/52/64/606605264.db2.gz WKPQRKBYCFBBPD-RYUDHWBXSA-N -1 1 370.413 2.102 20 0 FEADMM CO[C@H]1C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821679055 606605265 /nfs/dbraw/zinc/60/52/65/606605265.db2.gz WKPQRKBYCFBBPD-RYUDHWBXSA-N -1 1 370.413 2.102 20 0 FEADMM CC(C)C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820011064 606646626 /nfs/dbraw/zinc/64/66/26/606646626.db2.gz HEYIOSPOFYNATF-UHFFFAOYSA-N -1 1 366.381 2.213 20 0 FEADMM CC(C)C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820011064 606646627 /nfs/dbraw/zinc/64/66/27/606646627.db2.gz HEYIOSPOFYNATF-UHFFFAOYSA-N -1 1 366.381 2.213 20 0 FEADMM COc1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000821911375 606648032 /nfs/dbraw/zinc/64/80/32/606648032.db2.gz PRBPTMYARRKRDZ-UHFFFAOYSA-N -1 1 362.349 2.176 20 0 FEADMM COc1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000821911375 606648033 /nfs/dbraw/zinc/64/80/33/606648033.db2.gz PRBPTMYARRKRDZ-UHFFFAOYSA-N -1 1 362.349 2.176 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1OCC1CC1 ZINC000823436407 606649177 /nfs/dbraw/zinc/64/91/77/606649177.db2.gz UFLMANVGMFZUTG-UHFFFAOYSA-N -1 1 351.366 2.408 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1OCC1CC1 ZINC000823436407 606649178 /nfs/dbraw/zinc/64/91/78/606649178.db2.gz UFLMANVGMFZUTG-UHFFFAOYSA-N -1 1 351.366 2.408 20 0 FEADMM O=C(CCOc1cccc(Cl)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822974431 606651562 /nfs/dbraw/zinc/65/15/62/606651562.db2.gz MCBDGWAQTAXDAX-UHFFFAOYSA-N -1 1 359.773 2.427 20 0 FEADMM O=C(CCOc1cccc(Cl)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822974431 606651563 /nfs/dbraw/zinc/65/15/63/606651563.db2.gz MCBDGWAQTAXDAX-UHFFFAOYSA-N -1 1 359.773 2.427 20 0 FEADMM Cc1cccc2c1CCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822340873 606764155 /nfs/dbraw/zinc/76/41/55/606764155.db2.gz LDTOICIFCXOCBF-UHFFFAOYSA-N -1 1 359.386 2.066 20 0 FEADMM O=C(C1CCCC1)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822916971 606792582 /nfs/dbraw/zinc/79/25/82/606792582.db2.gz KGYYAXMHLIWOFL-SECBINFHSA-N -1 1 367.866 2.180 20 0 FEADMM O=C(C1CCCC1)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822916971 606792584 /nfs/dbraw/zinc/79/25/84/606792584.db2.gz KGYYAXMHLIWOFL-SECBINFHSA-N -1 1 367.866 2.180 20 0 FEADMM COC(=O)c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000821670028 606877492 /nfs/dbraw/zinc/87/74/92/606877492.db2.gz JPWAANZVGLNFPT-UHFFFAOYSA-N -1 1 361.365 2.209 20 0 FEADMM COC(=O)c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000821670028 606877494 /nfs/dbraw/zinc/87/74/94/606877494.db2.gz JPWAANZVGLNFPT-UHFFFAOYSA-N -1 1 361.365 2.209 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)NCC2(C)CCCCC2)cc1-c1nn[n-]n1 ZINC000821979445 606912797 /nfs/dbraw/zinc/91/27/97/606912797.db2.gz SDSHWOHEFYCQMF-UHFFFAOYSA-N -1 1 362.459 2.389 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000821676792 606940262 /nfs/dbraw/zinc/94/02/62/606940262.db2.gz HFIWJBIOPDUFHV-CQSZACIVSA-N -1 1 358.789 2.033 20 0 FEADMM CO[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000821676792 606940263 /nfs/dbraw/zinc/94/02/63/606940263.db2.gz HFIWJBIOPDUFHV-CQSZACIVSA-N -1 1 358.789 2.033 20 0 FEADMM CC(=O)c1cccc(OCCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000819844924 607102461 /nfs/dbraw/zinc/10/24/61/607102461.db2.gz OPCSJSWOBUYQHP-UHFFFAOYSA-N -1 1 372.410 2.324 20 0 FEADMM CC(=O)c1cccc(OCCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000819844924 607102462 /nfs/dbraw/zinc/10/24/62/607102462.db2.gz OPCSJSWOBUYQHP-UHFFFAOYSA-N -1 1 372.410 2.324 20 0 FEADMM Cc1cnn(-c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2)c1 ZINC000822399533 607104745 /nfs/dbraw/zinc/10/47/45/607104745.db2.gz ITKATGNTOIJARC-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1cnn(-c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2)c1 ZINC000822399533 607104746 /nfs/dbraw/zinc/10/47/46/607104746.db2.gz ITKATGNTOIJARC-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000822535236 607134867 /nfs/dbraw/zinc/13/48/67/607134867.db2.gz KNKFCUULRSJXBJ-DGCLKSJQSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000822535236 607134869 /nfs/dbraw/zinc/13/48/69/607134869.db2.gz KNKFCUULRSJXBJ-DGCLKSJQSA-N -1 1 370.413 2.104 20 0 FEADMM CC(C)c1ccccc1OCCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824352436 607785964 /nfs/dbraw/zinc/78/59/64/607785964.db2.gz DFMJUEGRDASSRH-UHFFFAOYSA-N -1 1 355.402 2.131 20 0 FEADMM CC(C)c1ccccc1OCCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824352436 607785965 /nfs/dbraw/zinc/78/59/65/607785965.db2.gz DFMJUEGRDASSRH-UHFFFAOYSA-N -1 1 355.402 2.131 20 0 FEADMM Cc1cccc(S(=O)(=O)Oc2cnc(Cl)cc2C)c1-c1nn[n-]n1 ZINC000826267538 607812111 /nfs/dbraw/zinc/81/21/11/607812111.db2.gz KCNNQLRDYNHLNY-UHFFFAOYSA-N -1 1 365.802 2.300 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc(F)c1F ZINC000826493419 607868021 /nfs/dbraw/zinc/86/80/21/607868021.db2.gz JQYMDRAXVUOCRG-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc(F)c1F ZINC000826493419 607868022 /nfs/dbraw/zinc/86/80/22/607868022.db2.gz JQYMDRAXVUOCRG-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM CCOc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825643785 607874686 /nfs/dbraw/zinc/87/46/86/607874686.db2.gz UYFHECCLRZBXON-GFCCVEGCSA-N -1 1 374.372 2.223 20 0 FEADMM CCOc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825643785 607874687 /nfs/dbraw/zinc/87/46/87/607874687.db2.gz UYFHECCLRZBXON-GFCCVEGCSA-N -1 1 374.372 2.223 20 0 FEADMM COc1cc(Nc2cccc(-c3nnn[n-]3)n2)ccc1N1CCCC1=O ZINC000826180897 607895376 /nfs/dbraw/zinc/89/53/76/607895376.db2.gz BURXIPRTZSDKQY-UHFFFAOYSA-N -1 1 351.370 2.141 20 0 FEADMM COc1cc(Nc2cccc(-c3nn[n-]n3)n2)ccc1N1CCCC1=O ZINC000826180897 607895377 /nfs/dbraw/zinc/89/53/77/607895377.db2.gz BURXIPRTZSDKQY-UHFFFAOYSA-N -1 1 351.370 2.141 20 0 FEADMM CCN(CC(=O)Nc1c(C)cccc1C)c1cccc(-c2nnn[n-]2)n1 ZINC000825395812 607900770 /nfs/dbraw/zinc/90/07/70/607900770.db2.gz WEAFOIJITNCIBF-UHFFFAOYSA-N -1 1 351.414 2.344 20 0 FEADMM CCN(CC(=O)Nc1c(C)cccc1C)c1cccc(-c2nn[n-]n2)n1 ZINC000825395812 607900771 /nfs/dbraw/zinc/90/07/71/607900771.db2.gz WEAFOIJITNCIBF-UHFFFAOYSA-N -1 1 351.414 2.344 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC12CCCCC2 ZINC000826495325 607976024 /nfs/dbraw/zinc/97/60/24/607976024.db2.gz LKWBWBIFMXDXCO-UHFFFAOYSA-N -1 1 365.434 2.493 20 0 FEADMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826434848 608060938 /nfs/dbraw/zinc/06/09/38/608060938.db2.gz ZRUZNCFNKRZJCM-UHFFFAOYSA-N -1 1 356.336 2.002 20 0 FEADMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826434848 608060939 /nfs/dbraw/zinc/06/09/39/608060939.db2.gz ZRUZNCFNKRZJCM-UHFFFAOYSA-N -1 1 356.336 2.002 20 0 FEADMM Clc1nsc(NCc2nc(-c3ccncc3)no2)c1-c1nnn[n-]1 ZINC000826354642 608173956 /nfs/dbraw/zinc/17/39/56/608173956.db2.gz OHPAUWWIMRWHGG-UHFFFAOYSA-N -1 1 361.778 2.034 20 0 FEADMM Clc1nsc(NCc2nc(-c3ccncc3)no2)c1-c1nn[n-]n1 ZINC000826354642 608173957 /nfs/dbraw/zinc/17/39/57/608173957.db2.gz OHPAUWWIMRWHGG-UHFFFAOYSA-N -1 1 361.778 2.034 20 0 FEADMM CC(C)(C)C(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824064268 608182058 /nfs/dbraw/zinc/18/20/58/608182058.db2.gz FVFHMZSDIYWZNP-QMMMGPOBSA-N -1 1 369.882 2.108 20 0 FEADMM CC(C)(C)C(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824064268 608182060 /nfs/dbraw/zinc/18/20/60/608182060.db2.gz FVFHMZSDIYWZNP-QMMMGPOBSA-N -1 1 369.882 2.108 20 0 FEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC23CCCCC3)cc1-c1nn[n-]n1 ZINC000826229933 608202608 /nfs/dbraw/zinc/20/26/08/608202608.db2.gz XBTXEMLKBAOKHZ-LLVKDONJSA-N -1 1 360.443 2.142 20 0 FEADMM COc1cc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)ccc1O ZINC000826179341 608234400 /nfs/dbraw/zinc/23/44/00/608234400.db2.gz KUAIRWRMEHNRLW-UHFFFAOYSA-N -1 1 352.807 2.327 20 0 FEADMM COc1cc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)ccc1O ZINC000826179341 608234402 /nfs/dbraw/zinc/23/44/02/608234402.db2.gz KUAIRWRMEHNRLW-UHFFFAOYSA-N -1 1 352.807 2.327 20 0 FEADMM CCCn1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C1CC1 ZINC000825361073 608244286 /nfs/dbraw/zinc/24/42/86/608244286.db2.gz AYQUJZZAQBMIER-UHFFFAOYSA-N -1 1 353.386 2.309 20 0 FEADMM Cc1cccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccn2)c1 ZINC000826296530 608246023 /nfs/dbraw/zinc/24/60/23/608246023.db2.gz AHNGAWNZCZFXGN-SFHVURJKSA-N -1 1 371.404 2.485 20 0 FEADMM Cc1cccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccn2)c1 ZINC000826296530 608246025 /nfs/dbraw/zinc/24/60/25/608246025.db2.gz AHNGAWNZCZFXGN-SFHVURJKSA-N -1 1 371.404 2.485 20 0 FEADMM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826427579 608271837 /nfs/dbraw/zinc/27/18/37/608271837.db2.gz UOTXQCBNJUKZIR-SWLSCSKDSA-N -1 1 355.423 2.436 20 0 FEADMM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826427579 608271838 /nfs/dbraw/zinc/27/18/38/608271838.db2.gz UOTXQCBNJUKZIR-SWLSCSKDSA-N -1 1 355.423 2.436 20 0 FEADMM Clc1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc2c1OCCCO2 ZINC000826350618 608391945 /nfs/dbraw/zinc/39/19/45/608391945.db2.gz DPPQCSKSTLKDJI-UHFFFAOYSA-N -1 1 359.777 2.084 20 0 FEADMM Clc1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc2c1OCCCO2 ZINC000826350618 608391947 /nfs/dbraw/zinc/39/19/47/608391947.db2.gz DPPQCSKSTLKDJI-UHFFFAOYSA-N -1 1 359.777 2.084 20 0 FEADMM Cc1cc(C)n(-c2ccc(CCNc3ccc(-c4nnn[n-]4)nn3)cc2)n1 ZINC000826264781 608398791 /nfs/dbraw/zinc/39/87/91/608398791.db2.gz AALNINYPSHHGKZ-UHFFFAOYSA-N -1 1 361.413 2.114 20 0 FEADMM Cc1cc(C)n(-c2ccc(CCNc3ccc(-c4nn[n-]n4)nn3)cc2)n1 ZINC000826264781 608398793 /nfs/dbraw/zinc/39/87/93/608398793.db2.gz AALNINYPSHHGKZ-UHFFFAOYSA-N -1 1 361.413 2.114 20 0 FEADMM Fc1cc(Nc2ccc(-c3nnn[n-]3)nn2)ccc1NC[C@H]1CCCO1 ZINC000826372878 608421817 /nfs/dbraw/zinc/42/18/17/608421817.db2.gz PKZYCSQYSIXEGB-LLVKDONJSA-N -1 1 356.365 2.130 20 0 FEADMM Fc1cc(Nc2ccc(-c3nn[n-]n3)nn2)ccc1NC[C@H]1CCCO1 ZINC000826372878 608421819 /nfs/dbraw/zinc/42/18/19/608421819.db2.gz PKZYCSQYSIXEGB-LLVKDONJSA-N -1 1 356.365 2.130 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824108255 608424124 /nfs/dbraw/zinc/42/41/24/608424124.db2.gz DHOPXVGQLGWUHR-VXGBXAGGSA-N -1 1 374.449 2.152 20 0 FEADMM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824108255 608424125 /nfs/dbraw/zinc/42/41/25/608424125.db2.gz DHOPXVGQLGWUHR-VXGBXAGGSA-N -1 1 374.449 2.152 20 0 FEADMM COc1ccc2c(c1)OC[C@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000826212961 608440668 /nfs/dbraw/zinc/44/06/68/608440668.db2.gz HDDNCNMQWUJJDY-SNVBAGLBSA-N -1 1 358.789 2.339 20 0 FEADMM COc1ccc2c(c1)OC[C@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000826212961 608440669 /nfs/dbraw/zinc/44/06/69/608440669.db2.gz HDDNCNMQWUJJDY-SNVBAGLBSA-N -1 1 358.789 2.339 20 0 FEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1c[nH]c2ncccc12 ZINC000824724194 608458068 /nfs/dbraw/zinc/45/80/68/608458068.db2.gz ZHCIXZSCJIURTQ-QMMMGPOBSA-N -1 1 368.378 2.233 20 0 FEADMM C[C@@H](O)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000820481011 608582290 /nfs/dbraw/zinc/58/22/90/608582290.db2.gz RMCNLULEWDXNQR-SNVBAGLBSA-N -1 1 373.800 2.423 20 0 FEADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000824984822 608694215 /nfs/dbraw/zinc/69/42/15/608694215.db2.gz OAGHQHOHKSRYJZ-VXGBXAGGSA-N -1 1 362.434 2.289 20 0 FEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000824984822 608694220 /nfs/dbraw/zinc/69/42/20/608694220.db2.gz OAGHQHOHKSRYJZ-VXGBXAGGSA-N -1 1 362.434 2.289 20 0 FEADMM O=C(OCCOc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826464422 608767284 /nfs/dbraw/zinc/76/72/84/608767284.db2.gz VXPQJGMUSVMVBD-UHFFFAOYSA-N -1 1 363.736 2.290 20 0 FEADMM O=C(OCCOc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826464422 608767286 /nfs/dbraw/zinc/76/72/86/608767286.db2.gz VXPQJGMUSVMVBD-UHFFFAOYSA-N -1 1 363.736 2.290 20 0 FEADMM COc1ccccc1COC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826220763 608799204 /nfs/dbraw/zinc/79/92/04/608799204.db2.gz ZBKNXRQSIUNJMS-UHFFFAOYSA-N -1 1 366.425 2.456 20 0 FEADMM COc1ccccc1COC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826220763 608799208 /nfs/dbraw/zinc/79/92/08/608799208.db2.gz ZBKNXRQSIUNJMS-UHFFFAOYSA-N -1 1 366.425 2.456 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000826357297 609158452 /nfs/dbraw/zinc/15/84/52/609158452.db2.gz ZIKJAXYIIRSHRQ-HBWSCVEGSA-N -1 1 364.413 2.310 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000826357297 609158453 /nfs/dbraw/zinc/15/84/53/609158453.db2.gz ZIKJAXYIIRSHRQ-HBWSCVEGSA-N -1 1 364.413 2.310 20 0 FEADMM CC[C@@H](SC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825159438 609288781 /nfs/dbraw/zinc/28/87/81/609288781.db2.gz OWQQDDFSCDOAFO-LLVKDONJSA-N -1 1 361.406 2.272 20 0 FEADMM COCCC[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826154944 609288921 /nfs/dbraw/zinc/28/89/21/609288921.db2.gz AZOVEWIYVURPFT-LLVKDONJSA-N -1 1 373.392 2.193 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@H](C(C)C)C1 ZINC000826340617 609403563 /nfs/dbraw/zinc/40/35/63/609403563.db2.gz FCTQPYLGDVYWBX-ZDUSSCGKSA-N -1 1 370.413 2.056 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@H](C(C)C)C1 ZINC000826340617 609403564 /nfs/dbraw/zinc/40/35/64/609403564.db2.gz FCTQPYLGDVYWBX-ZDUSSCGKSA-N -1 1 370.413 2.056 20 0 FEADMM CCc1nn(CCc2cccc(F)c2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763361 609487426 /nfs/dbraw/zinc/48/74/26/609487426.db2.gz VTYIAWMVWGFTRB-UHFFFAOYSA-N -1 1 360.368 2.069 20 0 FEADMM Cc1ccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000826290687 609595132 /nfs/dbraw/zinc/59/51/32/609595132.db2.gz VMBQHDJPIIAHJZ-UHFFFAOYSA-N -1 1 372.436 2.445 20 0 FEADMM Cc1ccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000826290687 609595134 /nfs/dbraw/zinc/59/51/34/609595134.db2.gz VMBQHDJPIIAHJZ-UHFFFAOYSA-N -1 1 372.436 2.445 20 0 FEADMM Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810904767 674567780 /nfs/dbraw/zinc/56/77/80/674567780.db2.gz ICVPTNHKGGQGQC-JOYOIKCWSA-N -1 1 361.364 2.312 20 0 FEADMM CS(=O)(=O)CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000560504014 674595713 /nfs/dbraw/zinc/59/57/13/674595713.db2.gz YEWHXDPEEBYMSN-UHFFFAOYSA-N -1 1 356.625 2.181 20 0 FEADMM COCc1cnc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000811515331 674610192 /nfs/dbraw/zinc/61/01/92/674610192.db2.gz YHTUQSAHRKLUKV-JTQLQIEISA-N -1 1 351.394 2.180 20 0 FEADMM O=C(CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1nnn[n-]1 ZINC000560737419 674612985 /nfs/dbraw/zinc/61/29/85/674612985.db2.gz LTSMRCPEGXZPEL-LLVKDONJSA-N -1 1 354.336 2.037 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)ccc1Cl ZINC000811716922 674622721 /nfs/dbraw/zinc/62/27/21/674622721.db2.gz RUXIZTJKYCQHFC-UHFFFAOYSA-N -1 1 367.770 2.421 20 0 FEADMM CO[C@H](CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811888046 674636062 /nfs/dbraw/zinc/63/60/62/674636062.db2.gz FOLFVFFJBMIGIM-NWDGAFQWSA-N -1 1 367.412 2.148 20 0 FEADMM CC(C)OCCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000812804188 674699458 /nfs/dbraw/zinc/69/94/58/674699458.db2.gz DUTOFILZOQKYJX-LLVKDONJSA-N -1 1 358.797 2.305 20 0 FEADMM COc1cc(NC(=O)N2CCC[C@@H]2C(F)F)ccc1[N-]S(C)(=O)=O ZINC000562168645 674726163 /nfs/dbraw/zinc/72/61/63/674726163.db2.gz IYJQDBUKJXRXIB-LLVKDONJSA-N -1 1 363.386 2.328 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)[C@@H]1n1cccn1 ZINC000562733895 674798078 /nfs/dbraw/zinc/79/80/78/674798078.db2.gz ZSYPYYAUGKZFJN-UTUOFQBUSA-N -1 1 361.876 2.295 20 0 FEADMM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1ccc(Br)o1 ZINC000562906276 674821040 /nfs/dbraw/zinc/82/10/40/674821040.db2.gz CMTDSNGJTDMYHB-JTQLQIEISA-N -1 1 358.213 2.324 20 0 FEADMM COCCN1C(=O)C(=C(C)Nc2ccc(F)c(Cl)c2)C(=O)[N-]C1=S ZINC000814345578 674832798 /nfs/dbraw/zinc/83/27/98/674832798.db2.gz OLNRSZNBQVYTOP-XYOKQWHBSA-N -1 1 371.821 2.055 20 0 FEADMM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000814996651 674894040 /nfs/dbraw/zinc/89/40/40/674894040.db2.gz TXIDISMMLSEMMJ-SNVBAGLBSA-N -1 1 363.361 2.185 20 0 FEADMM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000815055510 674908305 /nfs/dbraw/zinc/90/83/05/674908305.db2.gz CIWITXUMHOGVHH-UHFFFAOYSA-N -1 1 367.826 2.359 20 0 FEADMM CC(C)(C)C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(F)(F)F ZINC000563807664 674941057 /nfs/dbraw/zinc/94/10/57/674941057.db2.gz CTCVCQZGWAHKFX-LURJTMIESA-N -1 1 360.379 2.487 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)C1CC1)c1cc(Br)sc1Cl ZINC000564405912 675011168 /nfs/dbraw/zinc/01/11/68/675011168.db2.gz JNBBYLOORILSER-SSDOTTSWSA-N -1 1 374.709 2.461 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N(C)C ZINC000816193889 675032274 /nfs/dbraw/zinc/03/22/74/675032274.db2.gz FUBUXRYWUXKWFD-CQSZACIVSA-N -1 1 367.496 2.201 20 0 FEADMM CCC(Nc1ccc(Br)c(C)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009769411 669984383 /nfs/dbraw/zinc/98/43/83/669984383.db2.gz ARHGJIDLAGFLAN-UHFFFAOYSA-N -1 1 368.256 2.364 20 0 FEADMM CCC(Nc1ccc(Br)cc1F)=C1C(=O)[N-]C(=S)NC1=O ZINC000009769383 669984412 /nfs/dbraw/zinc/98/44/12/669984412.db2.gz FFGRZBAPVPPYOJ-UHFFFAOYSA-N -1 1 372.219 2.195 20 0 FEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000025525145 670062895 /nfs/dbraw/zinc/06/28/95/670062895.db2.gz YHQDCDDOGGOONJ-UHFFFAOYSA-N -1 1 360.313 2.485 20 0 FEADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000026154323 670067958 /nfs/dbraw/zinc/06/79/58/670067958.db2.gz VSGOFOYMAONJST-UHFFFAOYSA-N -1 1 370.427 2.067 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1F ZINC000026235573 670068357 /nfs/dbraw/zinc/06/83/57/670068357.db2.gz ZTHQZMZDWBNSCI-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccccc1OC ZINC000027134850 670076909 /nfs/dbraw/zinc/07/69/09/670076909.db2.gz HFEMXFQWTSZYIR-LBPRGKRZSA-N -1 1 352.412 2.077 20 0 FEADMM CC(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000028648356 670092064 /nfs/dbraw/zinc/09/20/64/670092064.db2.gz JUUVIYJKHYTHHU-UHFFFAOYSA-N -1 1 351.355 2.372 20 0 FEADMM O=C(COC(=O)c1coc(Br)c1)[N-]C(=O)c1ccccc1 ZINC000030875315 670115123 /nfs/dbraw/zinc/11/51/23/670115123.db2.gz KVKUVEUBROYLCI-UHFFFAOYSA-N -1 1 352.140 2.156 20 0 FEADMM O=C1[N-]C(=S)NC(=O)C1=CNc1cc(Cl)ccc1N1CCCCC1 ZINC000031434593 670121154 /nfs/dbraw/zinc/12/11/54/670121154.db2.gz ZYQPVNRVGGQBNV-UHFFFAOYSA-N -1 1 364.858 2.157 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)o1 ZINC000031483971 670121548 /nfs/dbraw/zinc/12/15/48/670121548.db2.gz KKGHIAYLSPTCTB-UHFFFAOYSA-N -1 1 363.222 2.425 20 0 FEADMM COCCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CCCC1 ZINC000033167477 670134466 /nfs/dbraw/zinc/13/44/66/670134466.db2.gz ZSICFECAKSSMBB-UHFFFAOYSA-N -1 1 372.487 2.388 20 0 FEADMM O=S(=O)([N-]C[C@H]1CCCOC1)c1cc(Br)cnc1Cl ZINC000041066577 670142550 /nfs/dbraw/zinc/14/25/50/670142550.db2.gz QWRZBHPRHOGXDE-MRVPVSSYSA-N -1 1 369.668 2.202 20 0 FEADMM CN(C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC000042776526 670168549 /nfs/dbraw/zinc/16/85/49/670168549.db2.gz HUQVVVWPFXOWDI-UHFFFAOYSA-N -1 1 374.484 2.068 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1cc(C#N)ccc1F ZINC000042775636 670168682 /nfs/dbraw/zinc/16/86/82/670168682.db2.gz VJFOTXSSQUNWOI-UHFFFAOYSA-N -1 1 354.384 2.487 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1 ZINC000045774259 670208987 /nfs/dbraw/zinc/20/89/87/670208987.db2.gz KKZLOVPVEFRCBI-UHFFFAOYSA-N -1 1 356.407 2.033 20 0 FEADMM COc1cc[n-]c(=NNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)n1 ZINC000046609178 670227313 /nfs/dbraw/zinc/22/73/13/670227313.db2.gz KQIQQOBGASSVQA-VIFPVBQESA-N -1 1 353.329 2.474 20 0 FEADMM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1cnsn1 ZINC000047413161 670241326 /nfs/dbraw/zinc/24/13/26/670241326.db2.gz WWLVQEOIAVDCCP-UHFFFAOYSA-N -1 1 358.379 2.009 20 0 FEADMM CCOC(=O)c1c(NC(=O)CN(C)CCCC(=O)[O-])sc2c1CCC2 ZINC000565048573 675089752 /nfs/dbraw/zinc/08/97/52/675089752.db2.gz VLSDYRMGJUYPKS-UHFFFAOYSA-N -1 1 368.455 2.149 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000048230886 670259416 /nfs/dbraw/zinc/25/94/16/670259416.db2.gz UIQJQXBGNMLOCL-UHFFFAOYSA-N -1 1 363.414 2.326 20 0 FEADMM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000817027212 675093875 /nfs/dbraw/zinc/09/38/75/675093875.db2.gz HDIVLWADBZRWMS-GFCCVEGCSA-N -1 1 357.414 2.166 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCCCC1 ZINC000052171527 670309877 /nfs/dbraw/zinc/30/98/77/670309877.db2.gz JGIPBMAZCRYGCC-UHFFFAOYSA-N -1 1 368.455 2.008 20 0 FEADMM CCOC(=O)N[N-]C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000053367647 670322788 /nfs/dbraw/zinc/32/27/88/670322788.db2.gz SOGFEJXTHJZHQX-UHFFFAOYSA-N -1 1 353.176 2.230 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2cc(CC(C)C)nn2C)c(=O)[n-]1 ZINC000064434124 670424324 /nfs/dbraw/zinc/42/43/24/670424324.db2.gz MIBUAOKITFDQLF-UHFFFAOYSA-N -1 1 363.487 2.304 20 0 FEADMM COC1([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CCOCC1 ZINC000817154738 675106711 /nfs/dbraw/zinc/10/67/11/675106711.db2.gz WSROCTVFJRWSKA-VIFPVBQESA-N -1 1 369.270 2.251 20 0 FEADMM CCS(=O)(=O)c1ccccc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067071791 670452468 /nfs/dbraw/zinc/45/24/68/670452468.db2.gz WZNIJLPVBKEQCN-UHFFFAOYSA-N -1 1 368.484 2.245 20 0 FEADMM Cc1cc([N-]C(=O)c2sccc2S(=O)(=O)N2CCSCC2)no1 ZINC000067139929 670454372 /nfs/dbraw/zinc/45/43/72/670454372.db2.gz WGXIBDYPHHMARD-UHFFFAOYSA-N -1 1 373.481 2.034 20 0 FEADMM CNC(=O)C1(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)CCC1 ZINC000068435377 670470798 /nfs/dbraw/zinc/47/07/98/670470798.db2.gz RRBDMIIOSJPASK-UHFFFAOYSA-N -1 1 365.503 2.144 20 0 FEADMM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000076936343 670557220 /nfs/dbraw/zinc/55/72/20/670557220.db2.gz OSHPFBDABRWCEQ-ZDUSSCGKSA-N -1 1 356.419 2.263 20 0 FEADMM Nc1nc([O-])c(CC(=O)NCC(c2ccccc2)c2ccccc2)s1 ZINC000079301617 670604048 /nfs/dbraw/zinc/60/40/48/670604048.db2.gz WCTMEKUDGMMQSQ-INIZCTEOSA-N -1 1 353.447 2.282 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1cccc2c1CCNC2=O)c1ccccc1 ZINC000569790760 670612600 /nfs/dbraw/zinc/61/26/00/670612600.db2.gz ZHIFFDZBGQSGAO-QGZVFWFLSA-N -1 1 360.435 2.102 20 0 FEADMM O=C([N-]OCC1CC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000817350166 675123381 /nfs/dbraw/zinc/12/33/81/675123381.db2.gz XVMWYFQPYFMMEN-NSHDSACASA-N -1 1 353.216 2.260 20 0 FEADMM O=C(NCc1ccon1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000082994301 670652980 /nfs/dbraw/zinc/65/29/80/670652980.db2.gz MPGVZPKLYIPXOU-UHFFFAOYSA-N -1 1 357.391 2.405 20 0 FEADMM COc1ccc(OC)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000570168875 670672054 /nfs/dbraw/zinc/67/20/54/670672054.db2.gz OVJYGVLDJIFZMZ-UHFFFAOYSA-N -1 1 351.380 2.132 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)cc1F ZINC000817391441 675128374 /nfs/dbraw/zinc/12/83/74/675128374.db2.gz JUDCSSRZPRFSSE-UHFFFAOYSA-N -1 1 367.402 2.251 20 0 FEADMM Cc1cnc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c([O-])c1 ZINC000565516918 675128660 /nfs/dbraw/zinc/12/86/60/675128660.db2.gz RZCTVFIBNGCDAC-ONGXEEELSA-N -1 1 352.437 2.194 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCc1cccc(C(F)(F)F)c1 ZINC000570320313 670695765 /nfs/dbraw/zinc/69/57/65/670695765.db2.gz UHCXKMBQTHSSJQ-UHFFFAOYSA-N -1 1 363.361 2.495 20 0 FEADMM CC[C@@H]1Cc2c(Br)cccc2CN1Cc1nc(=O)n(C)[n-]1 ZINC000570589907 670736542 /nfs/dbraw/zinc/73/65/42/670736542.db2.gz QDLBWRGJPDFBJP-LLVKDONJSA-N -1 1 351.248 2.208 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@@]1(CO)CCCO1)c1cc(Cl)ccc1F ZINC000565612284 675136531 /nfs/dbraw/zinc/13/65/31/675136531.db2.gz IFWZLZKRDWAOLZ-CABCVRRESA-N -1 1 363.838 2.078 20 0 FEADMM CO[C@@H](C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)C1CC1 ZINC000817490011 675138244 /nfs/dbraw/zinc/13/82/44/675138244.db2.gz KHWIWQKSKQTZFI-TZMCWYRMSA-N -1 1 356.344 2.048 20 0 FEADMM O=C1CN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)CCN1 ZINC000109424709 670841902 /nfs/dbraw/zinc/84/19/02/670841902.db2.gz RVSNCNPHXNVWGF-UHFFFAOYSA-N -1 1 365.842 2.077 20 0 FEADMM CC(C)(C)OC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000111353970 670857727 /nfs/dbraw/zinc/85/77/27/670857727.db2.gz XKNKOBYPWNOSSH-LLVKDONJSA-N -1 1 362.398 2.253 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(F)cc1Br ZINC000115578071 670898829 /nfs/dbraw/zinc/89/88/29/670898829.db2.gz CFSAPTKYAQAPSA-UHFFFAOYSA-N -1 1 368.224 2.309 20 0 FEADMM CS(=O)(=O)c1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000571774135 670923337 /nfs/dbraw/zinc/92/33/37/670923337.db2.gz IRMBIKHTASARQY-SFHVURJKSA-N -1 1 363.410 2.245 20 0 FEADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000572156028 670967701 /nfs/dbraw/zinc/96/77/01/670967701.db2.gz WBXYLROUGGGDEA-IHWYPQMZSA-N -1 1 357.391 2.050 20 0 FEADMM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](c3nc[nH]n3)C2)s[n-]1 ZINC000572358972 670992386 /nfs/dbraw/zinc/99/23/86/670992386.db2.gz YBCBZNWVAYDGGR-VIFPVBQESA-N -1 1 361.456 2.136 20 0 FEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)NOCC1CC1)C(F)(F)F ZINC000817784086 675177492 /nfs/dbraw/zinc/17/74/92/675177492.db2.gz LCOPIMWUHPSWNB-GFCCVEGCSA-N -1 1 357.332 2.147 20 0 FEADMM CCOCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000574670039 671266734 /nfs/dbraw/zinc/26/67/34/671266734.db2.gz TUYXYAVZAZNPSR-UHFFFAOYSA-N -1 1 360.476 2.149 20 0 FEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000574773132 671276172 /nfs/dbraw/zinc/27/61/72/671276172.db2.gz IXWQGZFKYKOWQC-VIFPVBQESA-N -1 1 354.379 2.075 20 0 FEADMM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)nn1 ZINC000575059358 671295874 /nfs/dbraw/zinc/29/58/74/671295874.db2.gz RIBWKNLNXVODGX-UHFFFAOYSA-N -1 1 355.272 2.397 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000575861034 671326426 /nfs/dbraw/zinc/32/64/26/671326426.db2.gz AUSBKPJCSNHYOZ-DINDLPBHSA-N -1 1 367.471 2.011 20 0 FEADMM CSCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000608826164 675904990 /nfs/dbraw/zinc/90/49/90/675904990.db2.gz FOHKVNAZXPMBLJ-UHFFFAOYSA-N -1 1 350.465 2.467 20 0 FEADMM CCc1cc(CNC(=O)c2cc(I)ccc2[O-])on1 ZINC000577686462 671613292 /nfs/dbraw/zinc/61/32/92/671613292.db2.gz IZYNPNJMLROQMV-UHFFFAOYSA-N -1 1 372.162 2.477 20 0 FEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)n2)cc1 ZINC000578482964 671668361 /nfs/dbraw/zinc/66/83/61/671668361.db2.gz ZIEMANZNTOGNKR-UHFFFAOYSA-N -1 1 364.471 2.199 20 0 FEADMM Cc1ccc(-c2nc(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)n[n-]2)cc1 ZINC000578482964 671668362 /nfs/dbraw/zinc/66/83/62/671668362.db2.gz ZIEMANZNTOGNKR-UHFFFAOYSA-N -1 1 364.471 2.199 20 0 FEADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1 ZINC000578566624 671674342 /nfs/dbraw/zinc/67/43/42/671674342.db2.gz BDEPHEXAKVZQLC-UHFFFAOYSA-N -1 1 354.815 2.386 20 0 FEADMM O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cc(=O)n2[n-]cnc2n1 ZINC000580047034 671778857 /nfs/dbraw/zinc/77/88/57/671778857.db2.gz LAIKBPBDMGSBLV-WCQYABFASA-N -1 1 357.801 2.137 20 0 FEADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000581488341 671902733 /nfs/dbraw/zinc/90/27/33/671902733.db2.gz CZQVWINQXWLJKL-VHSXEESVSA-N -1 1 356.325 2.132 20 0 FEADMM O=C(C[C@H]1COCCN1CCC[N-]C(=O)C(F)(F)F)c1cccs1 ZINC000119618815 671903712 /nfs/dbraw/zinc/90/37/12/671903712.db2.gz GOLIBRYCJIFTMA-NSHDSACASA-N -1 1 364.389 2.090 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1I ZINC000581979870 671954956 /nfs/dbraw/zinc/95/49/56/671954956.db2.gz WCSQUYXUHKGVCJ-UHFFFAOYSA-N -1 1 363.180 2.124 20 0 FEADMM COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000582125125 671970680 /nfs/dbraw/zinc/97/06/80/671970680.db2.gz HNGIYVNYPCURGP-KRWDZBQOSA-N -1 1 368.861 2.427 20 0 FEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C12CCCC2 ZINC000610269565 675963952 /nfs/dbraw/zinc/96/39/52/675963952.db2.gz IXXCMFNVPQMDPE-QWHCGFSZSA-N -1 1 357.428 2.082 20 0 FEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C[C@H]1C(=O)[O-] ZINC000582299339 671987590 /nfs/dbraw/zinc/98/75/90/671987590.db2.gz IGCLLUNCAPDAPI-DAXOMENPSA-N -1 1 351.422 2.181 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCCCF ZINC000582334645 671990663 /nfs/dbraw/zinc/99/06/63/671990663.db2.gz WMEYWGJAGZSPNB-UHFFFAOYSA-N -1 1 357.234 2.138 20 0 FEADMM O=C(CSCc1ccc(Br)cc1)NC1(c2nn[n-]n2)CC1 ZINC000582582857 672015388 /nfs/dbraw/zinc/01/53/88/672015388.db2.gz QKVYIUSOOPNWJC-UHFFFAOYSA-N -1 1 368.260 2.001 20 0 FEADMM Cc1nn(C)cc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000582862578 672040886 /nfs/dbraw/zinc/04/08/86/672040886.db2.gz QOLUWXBGRGDYCJ-GFCCVEGCSA-N -1 1 351.325 2.450 20 0 FEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000582997242 672052956 /nfs/dbraw/zinc/05/29/56/672052956.db2.gz KWYIJBAOUUQOAY-UHFFFAOYSA-N -1 1 353.381 2.137 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C(=O)[O-] ZINC000583147371 672067846 /nfs/dbraw/zinc/06/78/46/672067846.db2.gz KTYMCJJWUSTTDB-ONGXEEELSA-N -1 1 372.874 2.250 20 0 FEADMM Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1C(=O)[O-] ZINC000583147371 672067849 /nfs/dbraw/zinc/06/78/49/672067849.db2.gz KTYMCJJWUSTTDB-ONGXEEELSA-N -1 1 372.874 2.250 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ncc(C(F)(F)F)cn2)sc1C ZINC000584332707 672177722 /nfs/dbraw/zinc/17/77/22/672177722.db2.gz IMYSUKWEPLTIPU-UHFFFAOYSA-N -1 1 352.363 2.047 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)cc12 ZINC000584502757 672193955 /nfs/dbraw/zinc/19/39/55/672193955.db2.gz UZULERWWGNYZAO-UHFFFAOYSA-N -1 1 361.305 2.328 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc3nccn3c2)c1C ZINC000610914532 676005112 /nfs/dbraw/zinc/00/51/12/676005112.db2.gz NVCREGDBBDGCFW-UHFFFAOYSA-N -1 1 362.411 2.257 20 0 FEADMM CC[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)C(=O)OC ZINC000176199663 672374215 /nfs/dbraw/zinc/37/42/15/672374215.db2.gz SPIFPDDCWISVLF-NSHDSACASA-N -1 1 368.846 2.329 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cc(Cl)sc1Cl ZINC000181998004 672436785 /nfs/dbraw/zinc/43/67/85/672436785.db2.gz VQLGZLJXWJWEDC-UHFFFAOYSA-N -1 1 373.221 2.494 20 0 FEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccnc(SC)c2)cc1 ZINC000611231312 676026942 /nfs/dbraw/zinc/02/69/42/676026942.db2.gz KBELJNABLFMPFK-UHFFFAOYSA-N -1 1 352.437 2.320 20 0 FEADMM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc2c(c1)OCO2 ZINC000679182357 672471677 /nfs/dbraw/zinc/47/16/77/672471677.db2.gz CZTCMUYQPMELAU-UHFFFAOYSA-N -1 1 357.391 2.461 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000588906070 672492468 /nfs/dbraw/zinc/49/24/68/672492468.db2.gz IEQCSWXRQYIFOU-UHFFFAOYSA-N -1 1 351.346 2.469 20 0 FEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000589148723 672509842 /nfs/dbraw/zinc/50/98/42/672509842.db2.gz XXLXBMRUZLOGNE-UHFFFAOYSA-N -1 1 372.443 2.331 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(OCCn2cncn2)c1 ZINC000589431402 672525044 /nfs/dbraw/zinc/52/50/44/672525044.db2.gz HXKDKJHRFRGDDP-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM CSCC[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(=O)N(C)C ZINC000589942339 672549393 /nfs/dbraw/zinc/54/93/93/672549393.db2.gz KYRPYANHXDWDLO-NSHDSACASA-N -1 1 364.389 2.351 20 0 FEADMM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187085728 672561944 /nfs/dbraw/zinc/56/19/44/672561944.db2.gz KEKLTCQXGHLMDP-LBPRGKRZSA-N -1 1 372.164 2.466 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCCC(=O)OC(C)(C)C ZINC000611352765 676033727 /nfs/dbraw/zinc/03/37/27/676033727.db2.gz GRQUBJCSFVCPNN-UHFFFAOYSA-N -1 1 355.460 2.454 20 0 FEADMM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000187847238 672578376 /nfs/dbraw/zinc/57/83/76/672578376.db2.gz JQSIOZFQXOBEBW-UHFFFAOYSA-N -1 1 358.322 2.360 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccccc1Cn1cncn1 ZINC000189977656 672628554 /nfs/dbraw/zinc/62/85/54/672628554.db2.gz KJCRBATVNBJSBY-UHFFFAOYSA-N -1 1 374.198 2.442 20 0 FEADMM O=C(CCC(=O)NC1CCCC1)Nc1nc(Br)ccc1[O-] ZINC000189983336 672628697 /nfs/dbraw/zinc/62/86/97/672628697.db2.gz QDQYFQHVIXYKAS-UHFFFAOYSA-N -1 1 356.220 2.327 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)c(C)c1 ZINC000190851133 672652688 /nfs/dbraw/zinc/65/26/88/672652688.db2.gz WODRIAIBAYYQSS-UHFFFAOYSA-N -1 1 359.407 2.389 20 0 FEADMM O=C(C[C@H]1CCCOC1)N[N-]C(=O)c1cc(F)ccc1Br ZINC000193151020 672714607 /nfs/dbraw/zinc/71/46/07/672714607.db2.gz ZEPIWAGGBHESQO-SECBINFHSA-N -1 1 359.195 2.166 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)C(C)C ZINC000592035932 672738740 /nfs/dbraw/zinc/73/87/40/672738740.db2.gz JGBKVAKNIACFNP-ZIAGYGMSSA-N -1 1 351.509 2.333 20 0 FEADMM CCCC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000592046470 672741416 /nfs/dbraw/zinc/74/14/16/672741416.db2.gz UUXPLEOOOWFYKB-SNVBAGLBSA-N -1 1 354.350 2.111 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1ccc(C)c(C)c1 ZINC000592046686 672741460 /nfs/dbraw/zinc/74/14/60/672741460.db2.gz FYJAMIVXIASAHH-HZPDHXFCSA-N -1 1 357.472 2.108 20 0 FEADMM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000592067942 672746220 /nfs/dbraw/zinc/74/62/20/672746220.db2.gz AZOJFIWNLDUPPO-KOLCDFICSA-N -1 1 368.377 2.357 20 0 FEADMM COc1cc(C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)cc(Cl)c1[O-] ZINC000682380853 672751152 /nfs/dbraw/zinc/75/11/52/672751152.db2.gz NZPBDYRTKXKIDO-AWEZNQCLSA-N -1 1 354.834 2.431 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)OC(C)(C)C ZINC000592102442 672756559 /nfs/dbraw/zinc/75/65/59/672756559.db2.gz YWCWOWJKQFHHOZ-LBPRGKRZSA-N -1 1 365.398 2.372 20 0 FEADMM CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000194573405 672762618 /nfs/dbraw/zinc/76/26/18/672762618.db2.gz MPJKKAOUTQDQHV-VIFPVBQESA-N -1 1 356.220 2.135 20 0 FEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ncc(C)s3)n2)cc1 ZINC000195121805 672775807 /nfs/dbraw/zinc/77/58/07/672775807.db2.gz LUCMODXOBXUPPI-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3ncc(C)s3)n[n-]2)cc1 ZINC000195121805 672775808 /nfs/dbraw/zinc/77/58/08/672775808.db2.gz LUCMODXOBXUPPI-UHFFFAOYSA-N -1 1 350.425 2.219 20 0 FEADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCn2ccnc2)cc1 ZINC000198645225 672788026 /nfs/dbraw/zinc/78/80/26/672788026.db2.gz ZGOLGZFBMACMSH-UHFFFAOYSA-N -1 1 356.455 2.319 20 0 FEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1F ZINC000592352710 672790500 /nfs/dbraw/zinc/79/05/00/672790500.db2.gz CXVRNRDZILDLSI-NSHDSACASA-N -1 1 351.371 2.164 20 0 FEADMM O=S(=O)([N-]CC[C@@H]1CCOC1)c1cc(Br)cnc1Cl ZINC000230140464 672798712 /nfs/dbraw/zinc/79/87/12/672798712.db2.gz YVNZKKQBTPDTKL-MRVPVSSYSA-N -1 1 369.668 2.202 20 0 FEADMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2C)cc1 ZINC000593280816 672902299 /nfs/dbraw/zinc/90/22/99/672902299.db2.gz AMNWKOZBOZPKKE-UHFFFAOYSA-N -1 1 364.423 2.441 20 0 FEADMM Cc1nc(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cs1 ZINC000684100273 672904498 /nfs/dbraw/zinc/90/44/98/672904498.db2.gz JUTNXIAUDRDPRF-IAQYHMDHSA-N -1 1 365.480 2.065 20 0 FEADMM Cn1nncc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000684578401 672944901 /nfs/dbraw/zinc/94/49/01/672944901.db2.gz PEKQTKMOPYFFCK-JTQLQIEISA-N -1 1 354.741 2.050 20 0 FEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCF)cc2)cc1 ZINC000684789063 672965569 /nfs/dbraw/zinc/96/55/69/672965569.db2.gz CLJOQVSBJYZQFX-UHFFFAOYSA-N -1 1 364.398 2.389 20 0 FEADMM O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872609 672973087 /nfs/dbraw/zinc/97/30/87/672973087.db2.gz XDGKENHOLXLROT-GFCCVEGCSA-N -1 1 374.384 2.452 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc3N2)c1 ZINC000593730357 672984043 /nfs/dbraw/zinc/98/40/43/672984043.db2.gz RGAKIJDPRFUKLP-CQSZACIVSA-N -1 1 364.423 2.162 20 0 FEADMM CN1C(=O)COc2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)ccc21 ZINC000685002383 672984086 /nfs/dbraw/zinc/98/40/86/672984086.db2.gz NKSQZFBGUAZLTI-UHFFFAOYSA-N -1 1 372.324 2.260 20 0 FEADMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c(Cl)cc1Cl ZINC000290873439 672993283 /nfs/dbraw/zinc/99/32/83/672993283.db2.gz YFCAJKHNYHSCBP-CGYDSVCVSA-N -1 1 367.210 2.500 20 0 FEADMM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000593891507 673005388 /nfs/dbraw/zinc/00/53/88/673005388.db2.gz XQYJXHIULOIWDN-SNVBAGLBSA-N -1 1 355.460 2.405 20 0 FEADMM CCOC(=O)CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)C ZINC000594193816 673042769 /nfs/dbraw/zinc/04/27/69/673042769.db2.gz RTTPCQMERHPLHG-UHFFFAOYSA-N -1 1 369.487 2.335 20 0 FEADMM COC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000324928616 673047988 /nfs/dbraw/zinc/04/79/88/673047988.db2.gz UGXJSTQYDFMXMP-UHFFFAOYSA-N -1 1 354.340 2.265 20 0 FEADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1CO ZINC000327044101 673057477 /nfs/dbraw/zinc/05/74/77/673057477.db2.gz VTLSIIHRIMFURX-UHFFFAOYSA-N -1 1 369.370 2.216 20 0 FEADMM O=C([O-])C1(C(=O)N2CCCN(Cc3ccccc3)CC2)CCSCC1 ZINC000707413924 673063021 /nfs/dbraw/zinc/06/30/21/673063021.db2.gz NQYRTVGEIKWDKR-UHFFFAOYSA-N -1 1 362.495 2.319 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715441628 673073212 /nfs/dbraw/zinc/07/32/12/673073212.db2.gz IFWLKKUXJTVLBD-OCAPTIKFSA-N -1 1 365.117 2.334 20 0 FEADMM CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)c(O)c3)[C@H]2C1 ZINC000329572806 673079265 /nfs/dbraw/zinc/07/92/65/673079265.db2.gz UZYHKKBCWKHDCF-DZGCQCFKSA-N -1 1 369.259 2.090 20 0 FEADMM CO[C@H](C)c1nsc(=N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)[n-]1 ZINC000594598054 673104988 /nfs/dbraw/zinc/10/49/88/673104988.db2.gz BMCQEJUYAFELJH-YPMHNXCESA-N -1 1 364.471 2.427 20 0 FEADMM CCCCN(C)S(=O)(=O)[N-]c1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000594703605 673120369 /nfs/dbraw/zinc/12/03/69/673120369.db2.gz ZJLYNYOYHDGEMX-CYBMUJFWSA-N -1 1 360.480 2.176 20 0 FEADMM CCOC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC1 ZINC000613020600 676106766 /nfs/dbraw/zinc/10/67/66/676106766.db2.gz CFSIYLSLZHIRFB-UHFFFAOYSA-N -1 1 368.455 2.074 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CC2(CC2)C1 ZINC000613021012 676106788 /nfs/dbraw/zinc/10/67/88/676106788.db2.gz KRGRQCVKOATFBU-UHFFFAOYSA-N -1 1 350.440 2.305 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)c1ccccc1 ZINC000594760412 673132189 /nfs/dbraw/zinc/13/21/89/673132189.db2.gz ZCEYUQDWRIUTOA-IAGOWNOFSA-N -1 1 369.483 2.415 20 0 FEADMM CSC1(C[N-]S(=O)(=O)c2ncccc2Br)CCC1 ZINC000594769650 673136357 /nfs/dbraw/zinc/13/63/57/673136357.db2.gz JDDQBIQDTHFTCR-UHFFFAOYSA-N -1 1 351.291 2.408 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(F)cc2C)o1 ZINC000594800607 673147437 /nfs/dbraw/zinc/14/74/37/673147437.db2.gz HMLWWRGXOSHJPT-NSHDSACASA-N -1 1 355.387 2.423 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1C)c1cccc(OC)c1 ZINC000594823318 673153212 /nfs/dbraw/zinc/15/32/12/673153212.db2.gz UMMQYUVUQIOSSE-KRWDZBQOSA-N -1 1 363.435 2.337 20 0 FEADMM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000412820173 673175368 /nfs/dbraw/zinc/17/53/68/673175368.db2.gz RAUPNMKDWSLNPC-GXSJLCMTSA-N -1 1 350.159 2.433 20 0 FEADMM COCCCOc1ccc([N-]S(=O)(=O)c2cccn2C)cc1OC ZINC000414388234 673181991 /nfs/dbraw/zinc/18/19/91/673181991.db2.gz YKFQDKKHVZQPKM-UHFFFAOYSA-N -1 1 354.428 2.250 20 0 FEADMM CSc1nc(C)c(CCC(=O)Oc2cc(C(N)=O)ccc2C)c(=O)[n-]1 ZINC000728841800 673212803 /nfs/dbraw/zinc/21/28/03/673212803.db2.gz SOGJLHNJMUYPAV-UHFFFAOYSA-N -1 1 361.423 2.158 20 0 FEADMM COc1cc(NS(C)(=O)=O)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436593660 673217829 /nfs/dbraw/zinc/21/78/29/673217829.db2.gz BYISXCMOZLZCEU-UHFFFAOYSA-N -1 1 354.359 2.164 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)cc1C ZINC000595313512 673222069 /nfs/dbraw/zinc/22/20/69/673222069.db2.gz AKRVWBDNTGJHNK-GFCCVEGCSA-N -1 1 351.380 2.046 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)cc1C ZINC000595317348 673222632 /nfs/dbraw/zinc/22/26/32/673222632.db2.gz HLPGWEFXJYFRLG-AWEZNQCLSA-N -1 1 366.439 2.488 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](C)c2ncc(C)s2)cc1C ZINC000595327062 673225004 /nfs/dbraw/zinc/22/50/04/673225004.db2.gz CGGUWVCYAMYWKJ-SECBINFHSA-N -1 1 358.441 2.222 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000595327415 673225460 /nfs/dbraw/zinc/22/54/60/673225460.db2.gz RMLUTOCRCYGBHB-VXGBXAGGSA-N -1 1 359.444 2.247 20 0 FEADMM COc1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1[N-]S(C)(=O)=O ZINC000729312206 673232051 /nfs/dbraw/zinc/23/20/51/673232051.db2.gz MWLWMDZCATZICI-ZZXKWVIFSA-N -1 1 365.386 2.253 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(C)cc2)o1 ZINC000462723926 673279624 /nfs/dbraw/zinc/27/96/24/673279624.db2.gz VHPUSSSMRJLJEM-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1noc2c1CCCC2 ZINC000731244296 673326650 /nfs/dbraw/zinc/32/66/50/673326650.db2.gz NRHNYTTUOZFXIH-UHFFFAOYSA-N -1 1 356.425 2.343 20 0 FEADMM COC[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596022873 673349686 /nfs/dbraw/zinc/34/96/86/673349686.db2.gz XPZBLYPWIJQULO-SNVBAGLBSA-N -1 1 369.586 2.134 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cccc(Cl)c2)c1 ZINC000537502853 673391839 /nfs/dbraw/zinc/39/18/39/673391839.db2.gz UVIXDQJVJSLRCH-UHFFFAOYSA-N -1 1 354.815 2.264 20 0 FEADMM O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538224872 673427701 /nfs/dbraw/zinc/42/77/01/673427701.db2.gz NLLXKHXEHDLMMM-ZDUSSCGKSA-N -1 1 354.439 2.272 20 0 FEADMM O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1ccc2c(c1)CCCO2 ZINC000538941167 673467302 /nfs/dbraw/zinc/46/73/02/673467302.db2.gz XQHFZSQNPODCOP-UHFFFAOYSA-N -1 1 356.407 2.393 20 0 FEADMM Cc1ccc(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000538951589 673468215 /nfs/dbraw/zinc/46/82/15/673468215.db2.gz NQNUVDCMFOQHRP-UHFFFAOYSA-N -1 1 352.437 2.079 20 0 FEADMM COC[C@H](OC)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000613763468 676146188 /nfs/dbraw/zinc/14/61/88/676146188.db2.gz OMYWMTKADGTLQZ-INIZCTEOSA-N -1 1 350.415 2.055 20 0 FEADMM O=C(CCNS(=O)(=O)/C=C\c1ccccc1)Nc1c([O-])cccc1F ZINC000735924940 673508125 /nfs/dbraw/zinc/50/81/25/673508125.db2.gz HMPHMWMIZJEQON-BENRWUELSA-N -1 1 364.398 2.450 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000539854564 673509998 /nfs/dbraw/zinc/50/99/98/673509998.db2.gz HQPBHLFZHSZTOM-UHFFFAOYSA-N -1 1 354.453 2.006 20 0 FEADMM COc1ccc(Br)cc1[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000541590125 673553892 /nfs/dbraw/zinc/55/38/92/673553892.db2.gz CELAHZCBIOBAFF-GFCCVEGCSA-N -1 1 367.247 2.217 20 0 FEADMM CSc1ccc([O-])c(C(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)c1 ZINC000598546710 673581692 /nfs/dbraw/zinc/58/16/92/673581692.db2.gz CBQOYGQFNIIGEB-UHFFFAOYSA-N -1 1 363.439 2.905 20 0 FEADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c(=O)[nH]1 ZINC000542579617 673591480 /nfs/dbraw/zinc/59/14/80/673591480.db2.gz GNJUKHXTRABQQF-UHFFFAOYSA-N -1 1 353.400 2.018 20 0 FEADMM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000598627188 673592357 /nfs/dbraw/zinc/59/23/57/673592357.db2.gz GDGGZONTZSQDLP-GFCCVEGCSA-N -1 1 362.398 2.361 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H](SC)c3ccccc3)nc2n1 ZINC000598893234 673619452 /nfs/dbraw/zinc/61/94/52/673619452.db2.gz OOQPWPMNOCALFX-CQSZACIVSA-N -1 1 357.439 2.413 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1ccc2c(c1)COC2 ZINC000543566335 673653220 /nfs/dbraw/zinc/65/32/20/673653220.db2.gz XPERHVGINGGQNA-UHFFFAOYSA-N -1 1 364.398 2.409 20 0 FEADMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1 ZINC000740811154 673655369 /nfs/dbraw/zinc/65/53/69/673655369.db2.gz SLAXMFOJPVBHLZ-UHFFFAOYSA-N -1 1 358.379 2.320 20 0 FEADMM CN(C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000543905409 673677724 /nfs/dbraw/zinc/67/77/24/673677724.db2.gz KWVNTSJPZMADIC-UHFFFAOYSA-N -1 1 351.403 2.398 20 0 FEADMM COC(=O)c1nscc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599502637 673685498 /nfs/dbraw/zinc/68/54/98/673685498.db2.gz CHBTWPWAUFGKRH-UHFFFAOYSA-N -1 1 372.390 2.331 20 0 FEADMM COc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc(Cl)c1[O-] ZINC000545178773 673749428 /nfs/dbraw/zinc/74/94/28/673749428.db2.gz LETKLUWIQOMWOK-CQSZACIVSA-N -1 1 356.850 2.141 20 0 FEADMM O=C(NN1CC(=O)[N-]C1=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000743291823 673754953 /nfs/dbraw/zinc/75/49/53/673754953.db2.gz VLKBKJZYIHLIPW-OAHLLOKOSA-N -1 1 359.382 2.242 20 0 FEADMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2F)n1)c1cnsn1 ZINC000743344033 673755941 /nfs/dbraw/zinc/75/59/41/673755941.db2.gz OWTOIKXNBUDYCA-UHFFFAOYSA-N -1 1 369.179 2.477 20 0 FEADMM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Br)o1 ZINC000545363127 673763198 /nfs/dbraw/zinc/76/31/98/673763198.db2.gz REFMFBYUVPKIOO-VIFPVBQESA-N -1 1 350.234 2.422 20 0 FEADMM CCC1N=NC(=S)N1CCNC(=O)c1cc(Br)ccc1[O-] ZINC000743666230 673768113 /nfs/dbraw/zinc/76/81/13/673768113.db2.gz MQBPVXKVVPEHNJ-UHFFFAOYSA-N -1 1 371.260 2.027 20 0 FEADMM Cc1c(=O)[n-]c(SCC(=O)N2CCN(C)CC2)nc1-c1ccccc1 ZINC000546641235 673808533 /nfs/dbraw/zinc/80/85/33/673808533.db2.gz GKEPEUXMVLIDEO-UHFFFAOYSA-N -1 1 358.467 2.024 20 0 FEADMM CCCc1nc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])co1 ZINC000546832386 673821954 /nfs/dbraw/zinc/82/19/54/673821954.db2.gz INHIQHCOEGDODU-UHFFFAOYSA-N -1 1 365.411 2.026 20 0 FEADMM COc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc(OC)c1 ZINC000614737360 676189047 /nfs/dbraw/zinc/18/90/47/676189047.db2.gz ZAQPWGARKYBENX-UHFFFAOYSA-N -1 1 364.423 2.206 20 0 FEADMM CCOC(=O)[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000601420189 673859331 /nfs/dbraw/zinc/85/93/31/673859331.db2.gz CAJINVJZXFJJTQ-LRDDRELGSA-N -1 1 355.818 2.063 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCOC3)o1 ZINC000601518661 673876047 /nfs/dbraw/zinc/87/60/47/673876047.db2.gz NNCGPYQFBSKDEQ-UHFFFAOYSA-N -1 1 365.407 2.008 20 0 FEADMM Cc1ccc(N)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000746478424 673880804 /nfs/dbraw/zinc/88/08/04/673880804.db2.gz SRUWGBMTBFLLJV-UHFFFAOYSA-N -1 1 351.428 2.499 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ncc(Cl)n1C ZINC000746934356 673897785 /nfs/dbraw/zinc/89/77/85/673897785.db2.gz FNUULFFIHMERJX-UHFFFAOYSA-N -1 1 363.805 2.115 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 ZINC000615055409 676200517 /nfs/dbraw/zinc/20/05/17/676200517.db2.gz YFJFRTSYVJTKNN-CHWSQXEVSA-N -1 1 352.456 2.455 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC2(CCC2)O1 ZINC000566272051 675199880 /nfs/dbraw/zinc/19/98/80/675199880.db2.gz RFALTQRBIQGTSP-LBPRGKRZSA-N -1 1 370.471 2.140 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000615055436 676200544 /nfs/dbraw/zinc/20/05/44/676200544.db2.gz YNKMZWGSVPWGGT-ZFWWWQNUSA-N -1 1 374.409 2.454 20 0 FEADMM CC(C)Cn1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C(F)F)n1 ZINC000566601829 675227632 /nfs/dbraw/zinc/22/76/32/675227632.db2.gz MZPPHVQLHPWPPM-JTQLQIEISA-N -1 1 353.377 2.010 20 0 FEADMM O=S(=O)(Cc1nnc2n1CCCC2)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000566658791 675232268 /nfs/dbraw/zinc/23/22/68/675232268.db2.gz RNENZWILYZLMTR-UHFFFAOYSA-N -1 1 361.402 2.118 20 0 FEADMM O=S(=O)(Cc1nnc2n1CCCC2)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000566658791 675232270 /nfs/dbraw/zinc/23/22/70/675232270.db2.gz RNENZWILYZLMTR-UHFFFAOYSA-N -1 1 361.402 2.118 20 0 FEADMM C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000566895047 675250971 /nfs/dbraw/zinc/25/09/71/675250971.db2.gz JSFDVIYLIVQJIH-CYBMUJFWSA-N -1 1 362.455 2.037 20 0 FEADMM Cc1csc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c1 ZINC000567337792 675285077 /nfs/dbraw/zinc/28/50/77/675285077.db2.gz MQHUFLHHZVLGPH-UHFFFAOYSA-N -1 1 352.485 2.004 20 0 FEADMM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc(F)c1F ZINC000567547841 675301320 /nfs/dbraw/zinc/30/13/20/675301320.db2.gz IEADRNAJEZWBFB-SUMWQHHRSA-N -1 1 353.390 2.409 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)c(F)c1 ZINC000819881560 675318537 /nfs/dbraw/zinc/31/85/37/675318537.db2.gz KEQDWGLGYIURPP-ZFWWWQNUSA-N -1 1 355.362 2.046 20 0 FEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)s1 ZINC000819899832 675321387 /nfs/dbraw/zinc/32/13/87/675321387.db2.gz CZFQPBNFMDUVHM-SSDOTTSWSA-N -1 1 361.832 2.018 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC[C@H](CN2CCOCC2)C1 ZINC000568201250 675358034 /nfs/dbraw/zinc/35/80/34/675358034.db2.gz KYVTUIQVHFBUPD-GFCCVEGCSA-N -1 1 358.360 2.205 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000820638289 675375803 /nfs/dbraw/zinc/37/58/03/675375803.db2.gz AWHKQGATWOJUDH-VDBVYFBLSA-N -1 1 371.455 2.259 20 0 FEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624970 675387473 /nfs/dbraw/zinc/38/74/73/675387473.db2.gz URNHZODMLSFSMZ-NEPJUHHUSA-N -1 1 367.496 2.222 20 0 FEADMM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000820795153 675389128 /nfs/dbraw/zinc/38/91/28/675389128.db2.gz VITMEKOCRGNORC-LLVKDONJSA-N -1 1 373.525 2.324 20 0 FEADMM C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1nc(=O)n(C)[n-]1 ZINC000568824928 675402963 /nfs/dbraw/zinc/40/29/63/675402963.db2.gz CPMZPWRGMAWTBX-MFKMUULPSA-N -1 1 356.348 2.089 20 0 FEADMM CC(C)[C@@H](O)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000568937632 675411196 /nfs/dbraw/zinc/41/11/96/675411196.db2.gz JIWUWMQREUIQKA-NSHDSACASA-N -1 1 353.216 2.450 20 0 FEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cccc(Br)c1 ZINC000821116427 675414768 /nfs/dbraw/zinc/41/47/68/675414768.db2.gz OPUCKIJFGBRPEE-UHFFFAOYSA-N -1 1 353.263 2.368 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000821145175 675418351 /nfs/dbraw/zinc/41/83/51/675418351.db2.gz SKAXBKLPIZWEOJ-AWEZNQCLSA-N -1 1 354.428 2.045 20 0 FEADMM O=C(c1csc(NC2CCCCC2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000821194616 675420885 /nfs/dbraw/zinc/42/08/85/675420885.db2.gz AWDUKGFYCNLPOH-NSHDSACASA-N -1 1 361.475 2.421 20 0 FEADMM C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000822349065 675479351 /nfs/dbraw/zinc/47/93/51/675479351.db2.gz TWRQAQRZBWDSCZ-IXSDQNLNSA-N -1 1 354.447 2.130 20 0 FEADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000822412051 675483235 /nfs/dbraw/zinc/48/32/35/675483235.db2.gz BKSPCGYPEOFSLL-JTQLQIEISA-N -1 1 356.213 2.469 20 0 FEADMM Cc1nc(Cl)sc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822450005 675485511 /nfs/dbraw/zinc/48/55/11/675485511.db2.gz YNGOPKWBROITNS-UHFFFAOYSA-N -1 1 366.838 2.489 20 0 FEADMM Cc1nc(Cl)sc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000822450005 675485514 /nfs/dbraw/zinc/48/55/14/675485514.db2.gz YNGOPKWBROITNS-UHFFFAOYSA-N -1 1 366.838 2.489 20 0 FEADMM C[C@H](NC(=O)CCCc1nn[n-]n1)c1ccc(C(F)(F)F)nc1Cl ZINC000823160857 675533303 /nfs/dbraw/zinc/53/33/03/675533303.db2.gz LKHBQHJGODAXLW-ZETCQYMHSA-N -1 1 362.743 2.467 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCCO)c2)cc1 ZINC000825183135 675640270 /nfs/dbraw/zinc/64/02/70/675640270.db2.gz DRFBXURUUJHGOU-UHFFFAOYSA-N -1 1 365.407 2.035 20 0 FEADMM CCN(Cc1ccc(Cl)cc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825435073 675652919 /nfs/dbraw/zinc/65/29/19/675652919.db2.gz LGKXXUBDJLABOP-UHFFFAOYSA-N -1 1 360.805 2.408 20 0 FEADMM CCN(Cc1ccc(Cl)cc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825435073 675652920 /nfs/dbraw/zinc/65/29/20/675652920.db2.gz LGKXXUBDJLABOP-UHFFFAOYSA-N -1 1 360.805 2.408 20 0 FEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000825498548 675656235 /nfs/dbraw/zinc/65/62/35/675656235.db2.gz KWDWGIHGEWKABH-JTQLQIEISA-N -1 1 360.361 2.202 20 0 FEADMM Clc1nsc(N2CCO[C@H](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826353754 675686650 /nfs/dbraw/zinc/68/66/50/675686650.db2.gz CMBKHAKZKPDEMW-LLVKDONJSA-N -1 1 362.846 2.425 20 0 FEADMM Clc1nsc(N2CCO[C@H](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826353754 675686652 /nfs/dbraw/zinc/68/66/52/675686652.db2.gz CMBKHAKZKPDEMW-LLVKDONJSA-N -1 1 362.846 2.425 20 0 FEADMM Clc1nsc(NC[C@H]2COC3(CCCCC3)O2)c1-c1nnn[n-]1 ZINC000826353846 675687381 /nfs/dbraw/zinc/68/73/81/675687381.db2.gz GIFPSGIHFDVOQO-QMMMGPOBSA-N -1 1 356.839 2.464 20 0 FEADMM Clc1nsc(NC[C@H]2COC3(CCCCC3)O2)c1-c1nn[n-]n1 ZINC000826353846 675687384 /nfs/dbraw/zinc/68/73/84/675687384.db2.gz GIFPSGIHFDVOQO-QMMMGPOBSA-N -1 1 356.839 2.464 20 0 FEADMM O=C(OCc1nnc(C2CC2)n1C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826467882 675689129 /nfs/dbraw/zinc/68/91/29/675689129.db2.gz PWXDJSKBBNWGCP-UHFFFAOYSA-N -1 1 357.399 2.089 20 0 FEADMM O=C(OCc1nnc(C2CC2)n1C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826467882 675689130 /nfs/dbraw/zinc/68/91/30/675689130.db2.gz PWXDJSKBBNWGCP-UHFFFAOYSA-N -1 1 357.399 2.089 20 0 FEADMM CSCC[C@H](NC(=O)c1c[nH]cc1Cc1ccccc1)c1nn[n-]n1 ZINC000826927425 675716009 /nfs/dbraw/zinc/71/60/09/675716009.db2.gz BASRHTVYSLNTQV-HNNXBMFYSA-N -1 1 356.455 2.343 20 0 FEADMM CCC[C@H](NC(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000826937948 675717150 /nfs/dbraw/zinc/71/71/50/675717150.db2.gz PABBUBNQCFZJCA-RYUDHWBXSA-N -1 1 354.455 2.193 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H]3CSC[C@H]3C2)c(=O)[n-]1 ZINC000827191276 675738394 /nfs/dbraw/zinc/73/83/94/675738394.db2.gz RVWDSCYJQSTQGJ-NWDGAFQWSA-N -1 1 353.513 2.357 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCCC1)C1CC1 ZINC000827369630 675751528 /nfs/dbraw/zinc/75/15/28/675751528.db2.gz GTNLCJPIPPJWAM-CQSZACIVSA-N -1 1 361.504 2.375 20 0 FEADMM COc1ncccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000606311432 675828505 /nfs/dbraw/zinc/82/85/05/675828505.db2.gz FONABLOVFORTKN-UHFFFAOYSA-N -1 1 367.427 2.037 20 0 FEADMM CCOC(=O)NCCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000828742002 675841061 /nfs/dbraw/zinc/84/10/61/675841061.db2.gz AHFNJNIXJDLPJD-UHFFFAOYSA-N -1 1 367.793 2.296 20 0 FEADMM CCOC(=O)NCCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000828742002 675841064 /nfs/dbraw/zinc/84/10/64/675841064.db2.gz AHFNJNIXJDLPJD-UHFFFAOYSA-N -1 1 367.793 2.296 20 0 FEADMM Cc1ccc(Br)cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000607910695 675877363 /nfs/dbraw/zinc/87/73/63/675877363.db2.gz WFIGYTSISICNRE-UHFFFAOYSA-N -1 1 350.220 2.470 20 0 FEADMM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000608049262 675884142 /nfs/dbraw/zinc/88/41/42/675884142.db2.gz YHHKOZVTNHNQBQ-PRJMDXOYSA-N -1 1 369.295 2.343 20 0 FEADMM CCN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])[C@H]1CCN(C)C1 ZINC000617550429 676291953 /nfs/dbraw/zinc/29/19/53/676291953.db2.gz SMYNCYPRAJFMAN-LBPRGKRZSA-N -1 1 350.369 2.022 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2F)C(C)C)o1 ZINC000617991408 676315177 /nfs/dbraw/zinc/31/51/77/676315177.db2.gz DPKBBDCJHAAOCZ-OAHLLOKOSA-N -1 1 354.403 2.454 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(Cl)c1[O-] ZINC000618218726 676326124 /nfs/dbraw/zinc/32/61/24/676326124.db2.gz ZMXNOWSWWOEXHC-MFKMUULPSA-N -1 1 352.818 2.185 20 0 FEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Cc2cccs2)n[n-]1 ZINC000619252570 676368984 /nfs/dbraw/zinc/36/89/84/676368984.db2.gz DJJPTAACYHALQM-LBPRGKRZSA-N -1 1 350.444 2.489 20 0 FEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Cc2cccs2)[n-]1 ZINC000619252570 676368985 /nfs/dbraw/zinc/36/89/85/676368985.db2.gz DJJPTAACYHALQM-LBPRGKRZSA-N -1 1 350.444 2.489 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)Cc2cccs2)n1 ZINC000619252570 676368988 /nfs/dbraw/zinc/36/89/88/676368988.db2.gz DJJPTAACYHALQM-LBPRGKRZSA-N -1 1 350.444 2.489 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)n1 ZINC000619865055 676397554 /nfs/dbraw/zinc/39/75/54/676397554.db2.gz KGVBNGLEKGJELO-LBPRGKRZSA-N -1 1 364.427 2.041 20 0 FEADMM Cc1noc(C)c1CSCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868310 676397709 /nfs/dbraw/zinc/39/77/09/676397709.db2.gz PIYMZPLWZVALDV-NSHDSACASA-N -1 1 352.416 2.019 20 0 FEADMM C[C@H](O)C1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000620071417 676405578 /nfs/dbraw/zinc/40/55/78/676405578.db2.gz LJKHHQBYQYUXNU-ZDUSSCGKSA-N -1 1 360.435 2.131 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(NC(C)=O)c2C)co1 ZINC000677301375 679674834 /nfs/dbraw/zinc/67/48/34/679674834.db2.gz YNGAZPKADYEMDF-UHFFFAOYSA-N -1 1 365.411 2.015 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)co1 ZINC000677302957 679675026 /nfs/dbraw/zinc/67/50/26/679675026.db2.gz IXJPXARIBDYVKL-UHFFFAOYSA-N -1 1 364.398 2.409 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c(F)c1 ZINC000677313206 679675607 /nfs/dbraw/zinc/67/56/07/679675607.db2.gz XBDVEAMPPMPDKI-ZDUSSCGKSA-N -1 1 371.405 2.103 20 0 FEADMM O=C(COc1ccc(F)c(Cl)c1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622610168 676502905 /nfs/dbraw/zinc/50/29/05/676502905.db2.gz QYPSAXHQNUJKDV-HNNXBMFYSA-N -1 1 361.764 2.277 20 0 FEADMM CCCc1nc(C)c(C(=O)Nc2nc3nc(CCC)cc(=O)n3[n-]2)s1 ZINC000622996182 676514892 /nfs/dbraw/zinc/51/48/92/676514892.db2.gz GEWPDHGJXKTISS-UHFFFAOYSA-N -1 1 360.443 2.340 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1nc([C@H]2CC[C@@H](C)O2)no1 ZINC000624695183 676591040 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CC[C@@H](C)NC(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801361160 674124348 /nfs/dbraw/zinc/12/43/48/674124348.db2.gz SWGJINOVJMWIIR-SNVBAGLBSA-N -1 1 351.790 2.303 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)[C@@H](O)C(F)(F)F ZINC000551160643 674127389 /nfs/dbraw/zinc/12/73/89/674127389.db2.gz QXIIDMDTRZIWHA-MWLCHTKSSA-N -1 1 358.382 2.093 20 0 FEADMM CC[C@H](C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccccc1OC ZINC000072994241 541906284 /nfs/dbraw/zinc/90/62/84/541906284.db2.gz VJSDQVAOPSKTIN-NHYWBVRUSA-N -1 1 353.444 2.442 20 0 FEADMM CO[C@]1(C)C[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000073269062 541938268 /nfs/dbraw/zinc/93/82/68/541938268.db2.gz DQYTYBIUEAFZKP-FOIQADDNSA-N -1 1 370.453 2.003 20 0 FEADMM Cc1n[n-]c(=S)n1CCNC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000073942442 542016525 /nfs/dbraw/zinc/01/65/25/542016525.db2.gz VWOHNMBOTTWCHU-UHFFFAOYSA-N -1 1 364.446 2.253 20 0 FEADMM Cc1ccc(O[C@H](C)C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000074162106 542045177 /nfs/dbraw/zinc/04/51/77/542045177.db2.gz PTVBJDUAORCKJD-CQSZACIVSA-N -1 1 354.410 2.032 20 0 FEADMM Cc1cc(C)cc(OCCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000074161856 542045858 /nfs/dbraw/zinc/04/58/58/542045858.db2.gz ATMCPMFPDQNBNZ-UHFFFAOYSA-N -1 1 368.437 2.342 20 0 FEADMM COc1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc2n1 ZINC000075503602 542182841 /nfs/dbraw/zinc/18/28/41/542182841.db2.gz WPXTWTXLCAIYCB-UHFFFAOYSA-N -1 1 360.373 2.410 20 0 FEADMM Cc1nc(C)c(CC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)s1 ZINC000872448442 684951328 /nfs/dbraw/zinc/95/13/28/684951328.db2.gz PMMYBISMESZOJX-HXUWFJFHSA-N -1 1 353.535 2.033 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(Cc3cccnc3)no2)o1 ZINC000551399100 674142796 /nfs/dbraw/zinc/14/27/96/674142796.db2.gz LZOUYUVUBGNDFS-UHFFFAOYSA-N -1 1 362.411 2.392 20 0 FEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000071848773 221382915 /nfs/dbraw/zinc/38/29/15/221382915.db2.gz TUOYQTYICHZGEX-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM CCc1nc(S(=O)(=O)Cc2cc(Cl)c3c(c2)OCCCO3)n[n-]1 ZINC000086170582 542734601 /nfs/dbraw/zinc/73/46/01/542734601.db2.gz WUDNAWKTIAHEEZ-UHFFFAOYSA-N -1 1 357.819 2.156 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc12 ZINC000093909455 542944687 /nfs/dbraw/zinc/94/46/87/542944687.db2.gz JIWMEEOBNRQDHJ-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc12 ZINC000093909455 542944693 /nfs/dbraw/zinc/94/46/93/542944693.db2.gz JIWMEEOBNRQDHJ-UHFFFAOYSA-N -1 1 365.436 2.076 20 0 FEADMM C[C@@H](O)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000097374762 543010994 /nfs/dbraw/zinc/01/09/94/543010994.db2.gz RVVVIRFPBIWBRQ-SECBINFHSA-N -1 1 350.321 2.033 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)n1 ZINC000101664324 543040694 /nfs/dbraw/zinc/04/06/94/543040694.db2.gz CDMQRLBQBGTLCH-UHFFFAOYSA-N -1 1 355.379 2.095 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)[n-]1 ZINC000101664324 543040696 /nfs/dbraw/zinc/04/06/96/543040696.db2.gz CDMQRLBQBGTLCH-UHFFFAOYSA-N -1 1 355.379 2.095 20 0 FEADMM CCN(C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)c1ccc(F)cc1 ZINC000104028464 543120845 /nfs/dbraw/zinc/12/08/45/543120845.db2.gz JCATXPTXIYPRDD-UHFFFAOYSA-N -1 1 367.384 2.270 20 0 FEADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000104313532 543128456 /nfs/dbraw/zinc/12/84/56/543128456.db2.gz UNWAQHNSTWMQGV-UHFFFAOYSA-N -1 1 353.304 2.280 20 0 FEADMM Cc1cccc(OC[C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000104862053 543148435 /nfs/dbraw/zinc/14/84/35/543148435.db2.gz VUIZWIXSBDOABS-CYBMUJFWSA-N -1 1 368.437 2.074 20 0 FEADMM Cc1cc(NC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)ccc1F ZINC000104899061 543149439 /nfs/dbraw/zinc/14/94/39/543149439.db2.gz ZBZMRFHRIPXAQU-UHFFFAOYSA-N -1 1 353.357 2.164 20 0 FEADMM Cc1noc([N-]C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)n1 ZINC000108781207 543302404 /nfs/dbraw/zinc/30/24/04/543302404.db2.gz IYDMPVRHHACCCW-UHFFFAOYSA-N -1 1 350.285 2.121 20 0 FEADMM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cncc([O-])c1 ZINC000109938187 543344318 /nfs/dbraw/zinc/34/43/18/543344318.db2.gz ZQCVMTHAJHEPMF-UHFFFAOYSA-N -1 1 356.407 2.486 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1 ZINC000110095599 543348708 /nfs/dbraw/zinc/34/87/08/543348708.db2.gz HGYLDPUWXSHICB-UHFFFAOYSA-N -1 1 357.395 2.231 20 0 FEADMM Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000113428359 543488121 /nfs/dbraw/zinc/48/81/21/543488121.db2.gz SVOGCGOAUGFFOT-UHFFFAOYSA-N -1 1 354.301 2.001 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C[NH+](C)C)cc1 ZINC000114054237 543502669 /nfs/dbraw/zinc/50/26/69/543502669.db2.gz RNCFPTRUECHQIA-UHFFFAOYSA-N -1 1 361.467 2.217 20 0 FEADMM COc1cccc([C@@H]2C[C@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114411522 543513822 /nfs/dbraw/zinc/51/38/22/543513822.db2.gz OXAWCFXRKCSBKC-JKSUJKDBSA-N -1 1 366.421 2.068 20 0 FEADMM COc1cccc([C@H]2C[C@H]2C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000114411518 543513974 /nfs/dbraw/zinc/51/39/74/543513974.db2.gz OXAWCFXRKCSBKC-HZPDHXFCSA-N -1 1 366.421 2.068 20 0 FEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4n[nH]cc4c3)cc21 ZINC000115312002 543559564 /nfs/dbraw/zinc/55/95/64/543559564.db2.gz IFKMKMVRJSETCJ-UHFFFAOYSA-N -1 1 356.407 2.273 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)o1 ZINC000115730444 543584063 /nfs/dbraw/zinc/58/40/63/543584063.db2.gz NWZJHKVTVHSKEC-UHFFFAOYSA-N -1 1 372.406 2.205 20 0 FEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)ccc2o1 ZINC000116158613 543601152 /nfs/dbraw/zinc/60/11/52/543601152.db2.gz QICCHSVBMCPOSW-UHFFFAOYSA-N -1 1 357.391 2.223 20 0 FEADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000122668646 543717044 /nfs/dbraw/zinc/71/70/44/543717044.db2.gz CUKGXLIPCCTNJO-BYPYZUCNSA-N -1 1 359.293 2.222 20 0 FEADMM C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000123576114 543769942 /nfs/dbraw/zinc/76/99/42/543769942.db2.gz FDCBRECHXDUQMO-ZETCQYMHSA-N -1 1 358.204 2.024 20 0 FEADMM C[C@@H](SCC(=O)N(C)C[C@H](C)c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000124367981 543817488 /nfs/dbraw/zinc/81/74/88/543817488.db2.gz AMAYUDSVGWLTHJ-WDEREUQCSA-N -1 1 359.459 2.132 20 0 FEADMM C[C@H](CN(C)C(=O)c1cccc(CSc2nccn2C)c1)c1nn[n-]n1 ZINC000124473565 543824305 /nfs/dbraw/zinc/82/43/05/543824305.db2.gz KIHFJJIEUHIMIK-GFCCVEGCSA-N -1 1 371.470 2.101 20 0 FEADMM C[C@H](CN(C)C(=O)c1[nH]c2ccccc2c1Br)c1nn[n-]n1 ZINC000124003178 543796139 /nfs/dbraw/zinc/79/61/39/543796139.db2.gz CHPNGIRTYNYGEB-MRVPVSSYSA-N -1 1 363.219 2.319 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nn[n-]n1 ZINC000124220303 543807928 /nfs/dbraw/zinc/80/79/28/543807928.db2.gz RZQOXATYHNCXEI-LBPRGKRZSA-N -1 1 366.381 2.119 20 0 FEADMM C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127195314 543978123 /nfs/dbraw/zinc/97/81/23/543978123.db2.gz YYPMPZVEGFNTMJ-MRVPVSSYSA-N -1 1 354.819 2.136 20 0 FEADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(C4CCCC4)n[nH]3)cc21 ZINC000126802065 543957673 /nfs/dbraw/zinc/95/76/73/543957673.db2.gz QJPDNSZFUXZRHI-UHFFFAOYSA-N -1 1 360.439 2.154 20 0 FEADMM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nc(-c3ccco3)n[nH]2)C1=O ZINC000128101209 544032622 /nfs/dbraw/zinc/03/26/22/544032622.db2.gz JCEVIATZYZSPIN-NSHDSACASA-N -1 1 367.365 2.207 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1(C)C ZINC000127335737 543987249 /nfs/dbraw/zinc/98/72/49/543987249.db2.gz VMFMBQWQENWEFD-KGLIPLIRSA-N -1 1 367.515 2.395 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000128939745 544082019 /nfs/dbraw/zinc/08/20/19/544082019.db2.gz HFASVVUKEUKCSB-UHFFFAOYSA-N -1 1 359.411 2.293 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccc(F)cc1F ZINC000129204103 544097215 /nfs/dbraw/zinc/09/72/15/544097215.db2.gz AONHPHYNDNPLBB-LBPRGKRZSA-N -1 1 358.366 2.347 20 0 FEADMM O=C(c1ccc(F)cc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129345869 544107003 /nfs/dbraw/zinc/10/70/03/544107003.db2.gz HZLMCQIHXXEEEY-MRVPVSSYSA-N -1 1 354.183 2.121 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000131019135 544174467 /nfs/dbraw/zinc/17/44/67/544174467.db2.gz YRLUNFBRTUAALE-UHFFFAOYSA-N -1 1 369.450 2.463 20 0 FEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)c1 ZINC000132579399 544236410 /nfs/dbraw/zinc/23/64/10/544236410.db2.gz UFQBTBOAZFONFA-UHFFFAOYSA-N -1 1 371.422 2.364 20 0 FEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H]1CCCO1 ZINC000133053759 544254018 /nfs/dbraw/zinc/25/40/18/544254018.db2.gz TXFFMWIZTCYIOV-NWDGAFQWSA-N -1 1 358.460 2.044 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nn[n-]n1 ZINC000136707393 544377724 /nfs/dbraw/zinc/37/77/24/544377724.db2.gz ZTCBHLSGPUPPSK-ZDUSSCGKSA-N -1 1 352.402 2.133 20 0 FEADMM Cn1cccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1=O ZINC000150860420 544480356 /nfs/dbraw/zinc/48/03/56/544480356.db2.gz ZCYGSUFUZQDVAD-UHFFFAOYSA-N -1 1 361.192 2.088 20 0 FEADMM CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCC[N@H+](C)C1 ZINC000151140122 544508662 /nfs/dbraw/zinc/50/86/62/544508662.db2.gz KDRPMWDIHJWNRZ-ZDUSSCGKSA-N -1 1 360.483 2.002 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOC2(CCCC2)C1 ZINC000151303273 544526622 /nfs/dbraw/zinc/52/66/22/544526622.db2.gz BPKUSDAVCAJFFY-UHFFFAOYSA-N -1 1 358.442 2.156 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)co1 ZINC000152640513 544677208 /nfs/dbraw/zinc/67/72/08/544677208.db2.gz JBYIWAZHURSGBH-CYBMUJFWSA-N -1 1 366.414 2.032 20 0 FEADMM CCC(CC)CS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000152331368 544639923 /nfs/dbraw/zinc/63/99/23/544639923.db2.gz BHSHQRIYZZKHKH-LLVKDONJSA-N -1 1 370.479 2.298 20 0 FEADMM COc1cc(C(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)cc(Cl)c1[O-] ZINC000153993240 544849784 /nfs/dbraw/zinc/84/97/84/544849784.db2.gz QXDABMSVJOIEFS-KRWDZBQOSA-N -1 1 365.817 2.176 20 0 FEADMM O=C(c1ccc([O-])cc1F)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000154853945 544958358 /nfs/dbraw/zinc/95/83/58/544958358.db2.gz SHHOCGWQZZEJQS-UHFFFAOYSA-N -1 1 364.323 2.408 20 0 FEADMM O=C(NC1(CCO)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000552343345 674203235 /nfs/dbraw/zinc/20/32/35/674203235.db2.gz FEELSUTURDCRQT-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM O=S(=O)([N-]C[C@@H]1COc2ccccc2O1)c1cc(F)c(F)cc1F ZINC000552480964 674211782 /nfs/dbraw/zinc/21/17/82/674211782.db2.gz MUECSRVEHQRDHW-SECBINFHSA-N -1 1 359.325 2.222 20 0 FEADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCOC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000178955593 327618624 /nfs/dbraw/zinc/61/86/24/327618624.db2.gz LQUWJYHTZVCWNI-CQSZACIVSA-N -1 1 362.332 2.441 20 0 FEADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000181029034 327713176 /nfs/dbraw/zinc/71/31/76/327713176.db2.gz HFGXBSKGFXARGS-GHMZBOCLSA-N -1 1 352.437 2.152 20 0 FEADMM O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([O-])cc1F ZINC000181050858 327714006 /nfs/dbraw/zinc/71/40/06/327714006.db2.gz INOJXDNCTJGEJK-GOSISDBHSA-N -1 1 362.376 2.474 20 0 FEADMM CCc1nsc(N2CCCN(C(=O)c3ccc([O-])cc3F)CC2)n1 ZINC000181247661 327722234 /nfs/dbraw/zinc/72/22/34/327722234.db2.gz BMJGFQDUVUBMOB-UHFFFAOYSA-N -1 1 350.419 2.298 20 0 FEADMM CN(C)C(=O)CC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000182601141 327781992 /nfs/dbraw/zinc/78/19/92/327781992.db2.gz GMVUKSSVGYYXDM-UHFFFAOYSA-N -1 1 369.259 2.485 20 0 FEADMM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1cc(F)ccc1[O-] ZINC000185358870 327912917 /nfs/dbraw/zinc/91/29/17/327912917.db2.gz NCWARHYGQMZNGZ-UHFFFAOYSA-N -1 1 350.371 2.106 20 0 FEADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC[C@@H]1O ZINC000186633082 327971953 /nfs/dbraw/zinc/97/19/53/327971953.db2.gz HPLYMMIQNSMFCX-KSSFIOAISA-N -1 1 374.462 2.330 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCCO[C@H]2CC(C)C)c(=O)[n-]1 ZINC000187502595 328030452 /nfs/dbraw/zinc/03/04/52/328030452.db2.gz TXRNHBXPQAUHOR-GJZGRUSLSA-N -1 1 367.515 2.443 20 0 FEADMM COc1ccc(Cn2ccc([N-]S(=O)(=O)N3CCC[C@H](C)C3)n2)cc1 ZINC000187788264 328046134 /nfs/dbraw/zinc/04/61/34/328046134.db2.gz XNXVASXSFFSSMZ-AWEZNQCLSA-N -1 1 364.471 2.329 20 0 FEADMM COC(=O)[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1C ZINC000187887648 328052743 /nfs/dbraw/zinc/05/27/43/328052743.db2.gz MGHCAIINFSWRAF-ONGXEEELSA-N -1 1 356.216 2.426 20 0 FEADMM O=S(=O)([N-]CC1(CO)CCOCC1)c1ccc(Cl)c(F)c1Cl ZINC000188123928 328067938 /nfs/dbraw/zinc/06/79/38/328067938.db2.gz ZVMIOHMMBHFNCZ-UHFFFAOYSA-N -1 1 372.245 2.200 20 0 FEADMM CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000188205221 328073129 /nfs/dbraw/zinc/07/31/29/328073129.db2.gz IQHPMNJXZWERHW-AWEZNQCLSA-N -1 1 366.414 2.127 20 0 FEADMM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000188543733 328093833 /nfs/dbraw/zinc/09/38/33/328093833.db2.gz BZDOELHRSUAIEQ-NKWVEPMBSA-N -1 1 357.657 2.199 20 0 FEADMM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)O1 ZINC000189019353 328123773 /nfs/dbraw/zinc/12/37/73/328123773.db2.gz TVXNNTBPHNDOTA-KSZLIROESA-N -1 1 365.389 2.401 20 0 FEADMM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCN(CC2CCOCC2)CC1 ZINC000189407547 328146079 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20 0 FEADMM COCCOc1cc(OC)ccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000276441905 330152232 /nfs/dbraw/zinc/15/22/32/330152232.db2.gz HSMPATPZTFGZOZ-UHFFFAOYSA-N -1 1 360.292 2.110 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000276507663 330159419 /nfs/dbraw/zinc/15/94/19/330159419.db2.gz CEIUFVZIMWJXIX-SWLSCSKDSA-N -1 1 373.457 2.029 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCOCC2)c1 ZINC000364813876 330206922 /nfs/dbraw/zinc/20/69/22/330206922.db2.gz UVWFEPAIYIBKDQ-CYBMUJFWSA-N -1 1 370.471 2.178 20 0 FEADMM C[C@H]1CCN(C(=O)NC[C@]2(C)CCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805192929 674325446 /nfs/dbraw/zinc/32/54/46/674325446.db2.gz OMQBNSIUDLZDER-ASHKBJFXSA-N -1 1 365.396 2.043 20 0 FEADMM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1c(C)onc1N ZINC000554900711 674340611 /nfs/dbraw/zinc/34/06/11/674340611.db2.gz UEZINDWENIOAGD-PELKAZGASA-N -1 1 359.835 2.273 20 0 FEADMM CCC[C@H](NC(=O)Cc1cccc(C)c1Br)c1nn[n-]n1 ZINC000626024518 676684581 /nfs/dbraw/zinc/68/45/81/676684581.db2.gz NIMMILZBBVUXRS-NSHDSACASA-N -1 1 352.236 2.471 20 0 FEADMM CCc1ccc(-c2csc(NC(=O)COC(=O)c3cn[n-]n3)n2)cc1 ZINC000805605142 674347214 /nfs/dbraw/zinc/34/72/14/674347214.db2.gz FGWBDPPJUBPGHC-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)C1CCN(C2CC2)CC1 ZINC000805873556 674358130 /nfs/dbraw/zinc/35/81/30/674358130.db2.gz LCLYEPPKIWLEEU-UHFFFAOYSA-N -1 1 359.536 2.124 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)cc1 ZINC000555428177 674361425 /nfs/dbraw/zinc/36/14/25/674361425.db2.gz JMUXZZWBHOYMNJ-UHFFFAOYSA-N -1 1 357.338 2.442 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)[C@@]1(CO)CCCO1)c1c(F)cccc1Cl ZINC000555456322 674362478 /nfs/dbraw/zinc/36/24/78/674362478.db2.gz OYWQYUGKVWWRMZ-CABCVRRESA-N -1 1 363.838 2.078 20 0 FEADMM O=C(NCCCc1nc[nH]n1)c1cc(Br)cc(Cl)c1[O-] ZINC000555570786 674367357 /nfs/dbraw/zinc/36/73/57/674367357.db2.gz NBRONOIRZTZIEQ-UHFFFAOYSA-N -1 1 359.611 2.289 20 0 FEADMM O=C(N[C@@H]1CCCOCC1)c1ccc(I)c([O-])c1 ZINC000310900063 553754153 /nfs/dbraw/zinc/75/41/53/553754153.db2.gz AYZSUVAXEDRWJS-SNVBAGLBSA-N -1 1 361.179 2.296 20 0 FEADMM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1nc(SCCO)n[nH]1 ZINC000155310025 545509119 /nfs/dbraw/zinc/50/91/19/545509119.db2.gz LDHAJFZMSMOQOO-UHFFFAOYSA-N -1 1 351.819 2.205 20 0 FEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000477405095 561144157 /nfs/dbraw/zinc/14/41/57/561144157.db2.gz WMGDAWLAUJPSJW-UHFFFAOYSA-N -1 1 353.371 2.351 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc2c1CCO2 ZINC000477720985 561151992 /nfs/dbraw/zinc/15/19/92/561151992.db2.gz RKPGUPKVIHHOJG-UHFFFAOYSA-N -1 1 362.389 2.256 20 0 FEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 ZINC000158288716 545844403 /nfs/dbraw/zinc/84/44/03/545844403.db2.gz FZWYNTLXZVZOPD-HNNXBMFYSA-N -1 1 372.446 2.309 20 0 FEADMM CCCOc1nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc2ccccc21 ZINC000478574372 561169956 /nfs/dbraw/zinc/16/99/56/561169956.db2.gz GCNWXEZNEPJSSK-GFCCVEGCSA-N -1 1 354.414 2.412 20 0 FEADMM CCCc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1-c1cccc(F)c1 ZINC000478599067 561170647 /nfs/dbraw/zinc/17/06/47/561170647.db2.gz FIEKLCJZYIPNIZ-GFCCVEGCSA-N -1 1 371.420 2.353 20 0 FEADMM C[C@@H](CN(C)C(=O)c1ccnc(SCC(F)(F)F)c1)c1nn[n-]n1 ZINC000478597167 561170663 /nfs/dbraw/zinc/17/06/63/561170663.db2.gz SSSOPRGBSKIQSO-QMMMGPOBSA-N -1 1 360.365 2.125 20 0 FEADMM C[C@H](CN(C)C(=O)c1ccnc(SCC(F)(F)F)c1)c1nn[n-]n1 ZINC000478597160 561170679 /nfs/dbraw/zinc/17/06/79/561170679.db2.gz SSSOPRGBSKIQSO-MRVPVSSYSA-N -1 1 360.365 2.125 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1OC ZINC000478689680 561172950 /nfs/dbraw/zinc/17/29/50/561172950.db2.gz FQFIJZPNCIVCCC-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM CCc1noc2ncc(S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F)cc12 ZINC000479155332 561183010 /nfs/dbraw/zinc/18/30/10/561183010.db2.gz MNAICZMWEYQBRC-LBPRGKRZSA-N -1 1 367.349 2.031 20 0 FEADMM CC[C@@H](C)n1ncc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000479074839 561180974 /nfs/dbraw/zinc/18/09/74/561180974.db2.gz BOBFDVPVULHIMR-SNVBAGLBSA-N -1 1 356.430 2.458 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)o1 ZINC000479177676 561183580 /nfs/dbraw/zinc/18/35/80/561183580.db2.gz MTOVUWNJLDMWPI-STQMWFEESA-N -1 1 353.371 2.430 20 0 FEADMM CC[C@](C)(O)CNC(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000176492942 546453553 /nfs/dbraw/zinc/45/35/53/546453553.db2.gz CDIGFKCLHDQGHF-KRWDZBQOSA-N -1 1 364.471 2.284 20 0 FEADMM CCC[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)c1nn[n-]n1 ZINC000176753775 546484493 /nfs/dbraw/zinc/48/44/93/546484493.db2.gz FTXFLNGMKHCRDC-LLVKDONJSA-N -1 1 356.199 2.301 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)o1 ZINC000177328431 546595277 /nfs/dbraw/zinc/59/52/77/546595277.db2.gz STJXXBLLYALFEQ-UHFFFAOYSA-N -1 1 366.439 2.261 20 0 FEADMM C[C@@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000177362035 546600289 /nfs/dbraw/zinc/60/02/89/546600289.db2.gz FERCLBHHZMTSTD-GOSISDBHSA-N -1 1 360.435 2.084 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2sc(C)nc2C)o1 ZINC000177489602 546629785 /nfs/dbraw/zinc/62/97/85/546629785.db2.gz UWLGKZZSURLKTR-UHFFFAOYSA-N -1 1 358.441 2.051 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C1CCOCC1)c1cc(Cl)sc1Cl ZINC000481562805 561236213 /nfs/dbraw/zinc/23/62/13/561236213.db2.gz MQMPAYAAYOUMEJ-QMMMGPOBSA-N -1 1 360.284 2.121 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC3)c2)cc1 ZINC000179044005 546890433 /nfs/dbraw/zinc/89/04/33/546890433.db2.gz LXWIMAAKGGGVFA-INIZCTEOSA-N -1 1 360.435 2.315 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCSc2ccc(C)cc2)co1 ZINC000179202359 546912999 /nfs/dbraw/zinc/91/29/99/546912999.db2.gz YUKPMGOZVKNMAX-UHFFFAOYSA-N -1 1 354.453 2.018 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)c2=O ZINC000179526843 546971289 /nfs/dbraw/zinc/97/12/89/546971289.db2.gz GMZKZJBLOFXTDH-WMLDXEAASA-N -1 1 366.421 2.402 20 0 FEADMM O=C(c1ncccc1[O-])N(CCO)Cc1ccc(Br)s1 ZINC000483025963 561265207 /nfs/dbraw/zinc/26/52/07/561265207.db2.gz ZHHFXVWZRSCJIM-UHFFFAOYSA-N -1 1 357.229 2.246 20 0 FEADMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000483096646 561267201 /nfs/dbraw/zinc/26/72/01/561267201.db2.gz DSZKFSBIQLKKCX-UHFFFAOYSA-N -1 1 367.327 2.194 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000181087830 547246784 /nfs/dbraw/zinc/24/67/84/547246784.db2.gz YAXPSJOZFKWXLK-HNNXBMFYSA-N -1 1 368.361 2.279 20 0 FEADMM COc1cc(NC(=O)N2CCS[C@@H](C)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000483332544 561274431 /nfs/dbraw/zinc/27/44/31/561274431.db2.gz BTDGTZQYTVVDHA-QWRGUYRKSA-N -1 1 373.500 2.424 20 0 FEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)c(Cl)c1 ZINC000483695792 561282209 /nfs/dbraw/zinc/28/22/09/561282209.db2.gz CKGZBKVNSOOJCZ-SECBINFHSA-N -1 1 351.765 2.187 20 0 FEADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3ccnn3Cc3ccc(F)cc3)cnc1-2 ZINC000181932959 547408192 /nfs/dbraw/zinc/40/81/92/547408192.db2.gz UXIOYDUYZFEGCJ-UHFFFAOYSA-N -1 1 366.356 2.310 20 0 FEADMM CC(=O)N1CCN(C(=O)c2ccc(Br)cc2[O-])C(C)(C)C1 ZINC000182423129 547490750 /nfs/dbraw/zinc/49/07/50/547490750.db2.gz ZXLXOYVTUBEIEG-UHFFFAOYSA-N -1 1 355.232 2.238 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c(C)o1 ZINC000182830750 547558920 /nfs/dbraw/zinc/55/89/20/547558920.db2.gz RJMZKOAMGAXBCN-UHFFFAOYSA-N -1 1 362.404 2.208 20 0 FEADMM Cc1cc(N2C[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)ccc1F ZINC000183083200 547597813 /nfs/dbraw/zinc/59/78/13/547597813.db2.gz YZRCYMYOQSVQHS-MRVPVSSYSA-N -1 1 371.294 2.263 20 0 FEADMM COc1cc(C=CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccc1OC(C)C ZINC000183399571 547650157 /nfs/dbraw/zinc/65/01/57/547650157.db2.gz HGSZGMXKJILOSN-BUUCAEBMSA-N -1 1 359.430 2.271 20 0 FEADMM C[C@H]1CN(C2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)CCO1 ZINC000183591418 547686204 /nfs/dbraw/zinc/68/62/04/547686204.db2.gz LNYFJRWAOXOQRT-JTQLQIEISA-N -1 1 358.360 2.135 20 0 FEADMM O=C([O-])c1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000484602628 561300936 /nfs/dbraw/zinc/30/09/36/561300936.db2.gz NGXCIZQZGMHTDE-UHFFFAOYSA-N -1 1 368.754 2.274 20 0 FEADMM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000183840142 547727836 /nfs/dbraw/zinc/72/78/36/547727836.db2.gz SSBPRCDLYBVRPD-ZDUSSCGKSA-N -1 1 357.410 2.117 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c1Cl ZINC000183847242 547728845 /nfs/dbraw/zinc/72/88/45/547728845.db2.gz BVBJEUCMFRFYBK-CHWSQXEVSA-N -1 1 355.847 2.272 20 0 FEADMM N=c1nc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)CC2)s[n-]1 ZINC000485111703 561312655 /nfs/dbraw/zinc/31/26/55/561312655.db2.gz CABVQUQFARIWJC-RYUDHWBXSA-N -1 1 363.874 2.226 20 0 FEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000184965291 547908306 /nfs/dbraw/zinc/90/83/06/547908306.db2.gz BMWGMSARVOPNFS-AWEZNQCLSA-N -1 1 354.472 2.092 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)N(C)C2CC2)c1Cl ZINC000184994195 547914493 /nfs/dbraw/zinc/91/44/93/547914493.db2.gz AWDSEEROCMLOCD-JTQLQIEISA-N -1 1 360.863 2.108 20 0 FEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000185052820 547924879 /nfs/dbraw/zinc/92/48/79/547924879.db2.gz VJBMDAASHBXRGT-UHFFFAOYSA-N -1 1 374.509 2.260 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NOCc1ccc(F)cc1 ZINC000186482178 548141881 /nfs/dbraw/zinc/14/18/81/548141881.db2.gz HNEMHMUUNOTLPF-UHFFFAOYSA-N -1 1 358.373 2.371 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2ncc(C)s2)o1 ZINC000186731716 548181766 /nfs/dbraw/zinc/18/17/66/548181766.db2.gz XKMDRJQSBPQYSZ-VIFPVBQESA-N -1 1 358.441 2.303 20 0 FEADMM CCOc1cc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cc(Cl)c1[O-] ZINC000186813276 548198899 /nfs/dbraw/zinc/19/88/99/548198899.db2.gz MHTZWNXZVCAZAO-ZDUSSCGKSA-N -1 1 354.834 2.037 20 0 FEADMM O=c1cc(/C=C\c2csc(-c3ccc4c(c3)OCO4)n2)nc2nc[n-]n21 ZINC000486124855 561338705 /nfs/dbraw/zinc/33/87/05/561338705.db2.gz PNEWOTRQRSYCTD-IHWYPQMZSA-N -1 1 365.374 2.440 20 0 FEADMM COc1cc(Br)c(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1O ZINC000486191339 561340588 /nfs/dbraw/zinc/34/05/88/561340588.db2.gz BZINYLBWDJJPFH-NSCUHMNNSA-N -1 1 363.171 2.065 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1 ZINC000486504487 561349313 /nfs/dbraw/zinc/34/93/13/561349313.db2.gz DQBMBVPGHQOMAL-UHFFFAOYSA-N -1 1 360.395 2.085 20 0 FEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000194641300 548510342 /nfs/dbraw/zinc/51/03/42/548510342.db2.gz SJQBYRMMMPYQKQ-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CCc1nc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)no1 ZINC000195115677 548579759 /nfs/dbraw/zinc/57/97/59/548579759.db2.gz PJGIWWQBFJDYMS-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM CCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)no1 ZINC000195115677 548579763 /nfs/dbraw/zinc/57/97/63/548579763.db2.gz PJGIWWQBFJDYMS-UHFFFAOYSA-N -1 1 353.791 2.044 20 0 FEADMM C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195114134 548579814 /nfs/dbraw/zinc/57/98/14/548579814.db2.gz BEVLVXWHWMQMSK-SECBINFHSA-N -1 1 370.862 2.202 20 0 FEADMM C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195114134 548579817 /nfs/dbraw/zinc/57/98/17/548579817.db2.gz BEVLVXWHWMQMSK-SECBINFHSA-N -1 1 370.862 2.202 20 0 FEADMM C[C@@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195164637 548586917 /nfs/dbraw/zinc/58/69/17/548586917.db2.gz ONKMWHSWNOPQDQ-JTQLQIEISA-N -1 1 367.479 2.129 20 0 FEADMM C[C@@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195164637 548586921 /nfs/dbraw/zinc/58/69/21/548586921.db2.gz ONKMWHSWNOPQDQ-JTQLQIEISA-N -1 1 367.479 2.129 20 0 FEADMM C[C@@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195164637 548586927 /nfs/dbraw/zinc/58/69/27/548586927.db2.gz ONKMWHSWNOPQDQ-JTQLQIEISA-N -1 1 367.479 2.129 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CCC(=O)Nc2ccccc2F)n[n-]1 ZINC000195169637 548588892 /nfs/dbraw/zinc/58/88/92/548588892.db2.gz VFDFHLGHALVFOF-UHFFFAOYSA-N -1 1 354.407 2.044 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c(F)c1 ZINC000195171129 548590516 /nfs/dbraw/zinc/59/05/16/548590516.db2.gz GACZVYGCDFBPHV-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c(F)c1 ZINC000195171129 548590521 /nfs/dbraw/zinc/59/05/21/548590521.db2.gz GACZVYGCDFBPHV-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2n[n-]c(C(C)(C)C)n2)c(F)c1 ZINC000195171129 548590527 /nfs/dbraw/zinc/59/05/27/548590527.db2.gz GACZVYGCDFBPHV-JTQLQIEISA-N -1 1 368.434 2.351 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175560 548591809 /nfs/dbraw/zinc/59/18/09/548591809.db2.gz YXWRRZORKMNOHS-NWDGAFQWSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175560 548591811 /nfs/dbraw/zinc/59/18/11/548591811.db2.gz YXWRRZORKMNOHS-NWDGAFQWSA-N -1 1 356.492 2.056 20 0 FEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195175560 548591813 /nfs/dbraw/zinc/59/18/13/548591813.db2.gz YXWRRZORKMNOHS-NWDGAFQWSA-N -1 1 356.492 2.056 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000195289802 548613278 /nfs/dbraw/zinc/61/32/78/548613278.db2.gz MULKGMANVXPXRI-CYBMUJFWSA-N -1 1 370.434 2.196 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nnc(Cc2ccccc2)[n-]1 ZINC000195289802 548613281 /nfs/dbraw/zinc/61/32/81/548613281.db2.gz MULKGMANVXPXRI-CYBMUJFWSA-N -1 1 370.434 2.196 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1n[n-]c(Cc2ccccc2)n1 ZINC000195289802 548613286 /nfs/dbraw/zinc/61/32/86/548613286.db2.gz MULKGMANVXPXRI-CYBMUJFWSA-N -1 1 370.434 2.196 20 0 FEADMM O=C([O-])COc1cccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000238018527 548872539 /nfs/dbraw/zinc/87/25/39/548872539.db2.gz BOULSDQWGIFCIL-IBGZPJMESA-N -1 1 368.433 2.431 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)c1ccco1 ZINC000489568336 561414462 /nfs/dbraw/zinc/41/44/62/561414462.db2.gz YKWJVAZUVWGBMN-CYBMUJFWSA-N -1 1 359.444 2.010 20 0 FEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000489602014 561415257 /nfs/dbraw/zinc/41/52/57/561415257.db2.gz DIEFUDGHZCGWSC-JSGCOSHPSA-N -1 1 357.385 2.061 20 0 FEADMM CC[C@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)CCN1C[C@H](C)O ZINC000249089713 549549621 /nfs/dbraw/zinc/54/96/21/549549621.db2.gz KCMOIHZPYRCHHP-RYUDHWBXSA-N -1 1 360.376 2.328 20 0 FEADMM C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(N)=O ZINC000490074288 561425827 /nfs/dbraw/zinc/42/58/27/561425827.db2.gz UBNIWSSKBJELJC-HZMBPMFUSA-N -1 1 370.833 2.415 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)n[nH]2)cc1 ZINC000262043942 549783164 /nfs/dbraw/zinc/78/31/64/549783164.db2.gz ASZGRKPRJXHKKL-CQSZACIVSA-N -1 1 355.394 2.412 20 0 FEADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n[nH]1 ZINC000490263334 561429894 /nfs/dbraw/zinc/42/98/94/561429894.db2.gz SYEYQLQBHDCOGW-ZJUUUORDSA-N -1 1 366.443 2.455 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cccc(O)c1 ZINC000490363960 561431823 /nfs/dbraw/zinc/43/18/23/561431823.db2.gz ICOKBQQYZWSAMR-UHFFFAOYSA-N -1 1 362.407 2.135 20 0 FEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000490421530 561432726 /nfs/dbraw/zinc/43/27/26/561432726.db2.gz YEVNKEQUKOWEOE-UHFFFAOYSA-N -1 1 366.237 2.227 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC000263278606 549891445 /nfs/dbraw/zinc/89/14/45/549891445.db2.gz SRKFIDLOVKLWTL-BBRMVZONSA-N -1 1 358.442 2.424 20 0 FEADMM C[C@H]1CN(Cc2ccc(CNc3cnc(C(=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000263449324 549902197 /nfs/dbraw/zinc/90/21/97/549902197.db2.gz ZWIXZQQSJISHJS-KBPBESRZSA-N -1 1 356.426 2.396 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000263849283 549945024 /nfs/dbraw/zinc/94/50/24/549945024.db2.gz MNCVVFRPSLRROY-UHFFFAOYSA-N -1 1 374.462 2.393 20 0 FEADMM CC[C@H]1CC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])O1 ZINC000268283364 550044591 /nfs/dbraw/zinc/04/45/91/550044591.db2.gz WWYJWNPGQNTJOR-LRDDRELGSA-N -1 1 368.455 2.073 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H](O)C1CCCCC1 ZINC000268543804 550085324 /nfs/dbraw/zinc/08/53/24/550085324.db2.gz LJJGTJCGYQGNBH-KRWDZBQOSA-N -1 1 370.453 2.153 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)NC[C@H]2CCCO2)c1)OCC(F)(F)F ZINC000268599988 550092072 /nfs/dbraw/zinc/09/20/72/550092072.db2.gz DLSINOPZWPBNJD-SNVBAGLBSA-N -1 1 362.304 2.412 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)o1 ZINC000492481905 561451440 /nfs/dbraw/zinc/45/14/40/561451440.db2.gz HRHQYPCYLXFARL-UHFFFAOYSA-N -1 1 371.802 2.052 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cccc(OCC)c1 ZINC000269643880 550213387 /nfs/dbraw/zinc/21/33/87/550213387.db2.gz FHTIORNYBHZOMP-LLVKDONJSA-N -1 1 367.427 2.025 20 0 FEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccccc2C(=O)OC)o1 ZINC000269800938 550226642 /nfs/dbraw/zinc/22/66/42/550226642.db2.gz SLJADXMVIDAWRA-AWEZNQCLSA-N -1 1 367.423 2.295 20 0 FEADMM CC[C@@H](C)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000269867536 550231896 /nfs/dbraw/zinc/23/18/96/550231896.db2.gz WWNNEVZQCOFCJP-GFCCVEGCSA-N -1 1 358.460 2.176 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c(C)o1 ZINC000269951678 550238582 /nfs/dbraw/zinc/23/85/82/550238582.db2.gz JGDQWHZYVZMHBB-UHFFFAOYSA-N -1 1 373.358 2.332 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)nc2)co1 ZINC000270110302 550249971 /nfs/dbraw/zinc/24/99/71/550249971.db2.gz SGVMXJUQVPNZEY-UHFFFAOYSA-N -1 1 365.411 2.156 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)s1 ZINC000270279388 550258664 /nfs/dbraw/zinc/25/86/64/550258664.db2.gz XTIQVMLILYVBSM-VIFPVBQESA-N -1 1 368.440 2.204 20 0 FEADMM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1O ZINC000494118319 561462944 /nfs/dbraw/zinc/46/29/44/561462944.db2.gz CCKNTDZGHIOBNK-UHFFFAOYSA-N -1 1 368.411 2.323 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000271457551 550377162 /nfs/dbraw/zinc/37/71/62/550377162.db2.gz WRKIVKYSWHCBBD-WBVHZDCISA-N -1 1 370.453 2.415 20 0 FEADMM CC[C@H](CSC)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000271793321 550402704 /nfs/dbraw/zinc/40/27/04/550402704.db2.gz IPHCTAPBYXHGJK-SNVBAGLBSA-N -1 1 361.489 2.330 20 0 FEADMM COC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)OC ZINC000272705118 550466312 /nfs/dbraw/zinc/46/63/12/550466312.db2.gz UARGQAHCCQNOQT-MRVPVSSYSA-N -1 1 361.769 2.299 20 0 FEADMM CCc1nnc(C)cc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000273660888 550507279 /nfs/dbraw/zinc/50/72/79/550507279.db2.gz CIDQBRMKHJLWGI-UHFFFAOYSA-N -1 1 352.391 2.110 20 0 FEADMM CC(C)(O)CCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000274844336 550558753 /nfs/dbraw/zinc/55/87/53/550558753.db2.gz NOAKBUIBEPCRRI-UHFFFAOYSA-N -1 1 364.320 2.394 20 0 FEADMM CC(C)(C)S(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000277636182 550695141 /nfs/dbraw/zinc/69/51/41/550695141.db2.gz SQQOBDFPFWVEEO-UHFFFAOYSA-N -1 1 374.890 2.368 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C=Cc3ccsc3)CC2)n1 ZINC000277870663 550723722 /nfs/dbraw/zinc/72/37/22/550723722.db2.gz YOZACXFCNFAYQL-ONEGZZNKSA-N -1 1 360.439 2.462 20 0 FEADMM O=S(=O)(Cc1ncc(C2CC2)o1)c1nc(Cc2cccs2)n[n-]1 ZINC000278204716 550760414 /nfs/dbraw/zinc/76/04/14/550760414.db2.gz OHZOPBZHNIWVPZ-UHFFFAOYSA-N -1 1 350.425 2.296 20 0 FEADMM O=S(=O)(Cc1ncc(C2CC2)o1)c1n[n-]c(Cc2cccs2)n1 ZINC000278204716 550760417 /nfs/dbraw/zinc/76/04/17/550760417.db2.gz OHZOPBZHNIWVPZ-UHFFFAOYSA-N -1 1 350.425 2.296 20 0 FEADMM O=C1NC2(CCCCC2)C(=O)N1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000278269655 550767372 /nfs/dbraw/zinc/76/73/72/550767372.db2.gz VLKBZIZLSKRBIE-UHFFFAOYSA-N -1 1 360.345 2.336 20 0 FEADMM COc1cc(C)c(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1C ZINC000278431650 550785225 /nfs/dbraw/zinc/78/52/25/550785225.db2.gz PSGFPDGFCSVMKW-UHFFFAOYSA-N -1 1 354.410 2.446 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000278634396 550806474 /nfs/dbraw/zinc/80/64/74/550806474.db2.gz HHYDETKDNXCHMN-GFCCVEGCSA-N -1 1 351.325 2.450 20 0 FEADMM COC(=O)c1c[n-]c(SCC(=O)NC(=O)Nc2cccc(C)c2C)n1 ZINC000278697306 550812534 /nfs/dbraw/zinc/81/25/34/550812534.db2.gz QNFZPGRLXUJOML-UHFFFAOYSA-N -1 1 362.411 2.254 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](CC)CSC)CC2)n1 ZINC000279098918 550853891 /nfs/dbraw/zinc/85/38/91/550853891.db2.gz SAHZUNWYJCEUFW-LBPRGKRZSA-N -1 1 369.491 2.012 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279559834 550903349 /nfs/dbraw/zinc/90/33/49/550903349.db2.gz RYCROYUPZVSMJZ-MRXNPFEDSA-N -1 1 374.462 2.186 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000495410227 561487655 /nfs/dbraw/zinc/48/76/55/561487655.db2.gz UOWIPDUDWUBGND-GOSISDBHSA-N -1 1 351.406 2.271 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280429221 550992915 /nfs/dbraw/zinc/99/29/15/550992915.db2.gz GSMAEMDJSFEYDQ-LJQANCHMSA-N -1 1 363.458 2.198 20 0 FEADMM O=S(=O)([N-]C[C@H](CO)[C@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000280621492 551014324 /nfs/dbraw/zinc/01/43/24/551014324.db2.gz RSTUIVPOEGPUNY-DTWKUNHWSA-N -1 1 372.245 2.056 20 0 FEADMM Cc1nsc(N2CCCN(C(=O)c3c(F)ccc([O-])c3F)CC2)n1 ZINC000280864802 551040424 /nfs/dbraw/zinc/04/04/24/551040424.db2.gz XLHHWUMVNUZUMP-UHFFFAOYSA-N -1 1 354.382 2.183 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CS[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000280933196 551047102 /nfs/dbraw/zinc/04/71/02/551047102.db2.gz IHBPEYJJOCLCSO-LLVKDONJSA-N -1 1 353.440 2.415 20 0 FEADMM Cc1ccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280976891 551051277 /nfs/dbraw/zinc/05/12/77/551051277.db2.gz MBNNPDILZKINRH-ONGXEEELSA-N -1 1 355.353 2.486 20 0 FEADMM O=S(=O)([N-]CCCO[C@@H]1CCCCO1)c1cc(F)c(F)cc1F ZINC000281262851 551079066 /nfs/dbraw/zinc/07/90/66/551079066.db2.gz VMXPLIBOTKPJBG-CQSZACIVSA-N -1 1 353.362 2.316 20 0 FEADMM Cc1nc(-c2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cc2)n[nH]1 ZINC000497179093 561497701 /nfs/dbraw/zinc/49/77/01/561497701.db2.gz JRQGTHUSECSKHD-UHFFFAOYSA-N -1 1 364.408 2.341 20 0 FEADMM Cc1ncc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C(C)C)n1 ZINC000281777075 551142240 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20 0 FEADMM Cc1cnccc1CCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292722750 552752723 /nfs/dbraw/zinc/75/27/23/552752723.db2.gz UQWQCNHCJHUNMK-TZMCWYRMSA-N -1 1 372.391 2.174 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000292781160 552758002 /nfs/dbraw/zinc/75/80/02/552758002.db2.gz SUSXFBOTCWIZLY-UHFFFAOYSA-N -1 1 356.382 2.371 20 0 FEADMM CSc1n[nH]c(NC(=O)[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000292888021 552768351 /nfs/dbraw/zinc/76/83/51/552768351.db2.gz CSSJKNGJTIOXFH-NXEZZACHSA-N -1 1 355.464 2.406 20 0 FEADMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000293503269 552830371 /nfs/dbraw/zinc/83/03/71/552830371.db2.gz NVWWPYAUOKWELC-BDAKNGLRSA-N -1 1 357.423 2.391 20 0 FEADMM CCOc1nc(C)ccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000294011810 552875183 /nfs/dbraw/zinc/87/51/83/552875183.db2.gz YENVGLMMYMITQU-DGCLKSJQSA-N -1 1 373.375 2.460 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000294121740 552883607 /nfs/dbraw/zinc/88/36/07/552883607.db2.gz KKUFKRRGCBJMQE-MRXNPFEDSA-N -1 1 368.437 2.001 20 0 FEADMM COC[C@@H]1CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000294269733 552892753 /nfs/dbraw/zinc/89/27/53/552892753.db2.gz IIJMDRGSUWJLML-INIZCTEOSA-N -1 1 360.435 2.348 20 0 FEADMM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000294319133 552896563 /nfs/dbraw/zinc/89/65/63/552896563.db2.gz PGFJXFJDYZZLRB-UHFFFAOYSA-N -1 1 374.426 2.381 20 0 FEADMM CCOc1cc(C(=O)[N-]c2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)on1 ZINC000294354292 552899487 /nfs/dbraw/zinc/89/94/87/552899487.db2.gz BGSGEULFXNWBJC-PHIMTYICSA-N -1 1 366.443 2.391 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCO[C@@H](C(C)C)C1 ZINC000294425334 552905287 /nfs/dbraw/zinc/90/52/87/552905287.db2.gz NMISOISPTHCWCB-QGZVFWFLSA-N -1 1 370.453 2.369 20 0 FEADMM CC(C)c1ccc(C[C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000501841599 561606380 /nfs/dbraw/zinc/60/63/80/561606380.db2.gz KQPTWXLZZCPNDW-AWEZNQCLSA-N -1 1 355.438 2.388 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1nc2c(ccc(F)c2F)s1 ZINC000501898854 561607676 /nfs/dbraw/zinc/60/76/76/561607676.db2.gz NBHVBZWSMBARPU-UHFFFAOYSA-N -1 1 364.333 2.044 20 0 FEADMM O=C(CSC(F)F)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000295768046 553056853 /nfs/dbraw/zinc/05/68/53/553056853.db2.gz QSRLNYNKDACUMN-UHFFFAOYSA-N -1 1 366.411 2.071 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](CO)c2ccccc2)c(=O)[n-]1 ZINC000296826752 553216740 /nfs/dbraw/zinc/21/67/40/553216740.db2.gz GLZLTYRAXFDZMD-HNNXBMFYSA-N -1 1 361.467 2.337 20 0 FEADMM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C2 ZINC000503225300 561637321 /nfs/dbraw/zinc/63/73/21/561637321.db2.gz YBMZWFLKRPCSAN-JTQLQIEISA-N -1 1 373.352 2.395 20 0 FEADMM Cc1ccc(-n2c(SCc3nn[n-]n3)nnc2N2CCCCC2)cc1 ZINC000298291864 553408795 /nfs/dbraw/zinc/40/87/95/553408795.db2.gz GNTDOUFVGYFPAH-UHFFFAOYSA-N -1 1 356.459 2.371 20 0 FEADMM CCOc1cc(C(=O)N2CCC(C(=O)N(C)OC)CC2)cc(Cl)c1[O-] ZINC000298338921 553413839 /nfs/dbraw/zinc/41/38/39/553413839.db2.gz RYZBZOXFMLLSGK-UHFFFAOYSA-N -1 1 370.833 2.316 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCSc2ccc(C)cc2)o1 ZINC000298396463 553420607 /nfs/dbraw/zinc/42/06/07/553420607.db2.gz FMDHERJLTARPRX-UHFFFAOYSA-N -1 1 354.453 2.018 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c2nccc(C)c2c1 ZINC000298834318 553478798 /nfs/dbraw/zinc/47/87/98/553478798.db2.gz CUWHXGKTCBKDJW-ZDUSSCGKSA-N -1 1 351.410 2.283 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)OCC(=O)N3)c(=O)[n-]1 ZINC000298878710 553484288 /nfs/dbraw/zinc/48/42/88/553484288.db2.gz VQJQUIQOOBRMTL-UHFFFAOYSA-N -1 1 374.422 2.115 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cn3ccc(C)cc3n2)c(=O)[n-]1 ZINC000299045950 553507880 /nfs/dbraw/zinc/50/78/80/553507880.db2.gz WTNWTAWJNMYQGA-UHFFFAOYSA-N -1 1 371.466 2.418 20 0 FEADMM Cc1cc(Br)cc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000299054100 553509174 /nfs/dbraw/zinc/50/91/74/553509174.db2.gz SXLOUDZYOXWNSD-JTQLQIEISA-N -1 1 365.231 2.189 20 0 FEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000299157993 553523176 /nfs/dbraw/zinc/52/31/76/553523176.db2.gz ZETXOIYCBDFFBO-OPRDCNLKSA-N -1 1 352.847 2.323 20 0 FEADMM CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000299231171 553534223 /nfs/dbraw/zinc/53/42/23/553534223.db2.gz FHKZZVKZCVMMQF-CQSZACIVSA-N -1 1 362.455 2.066 20 0 FEADMM CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000299231171 553534224 /nfs/dbraw/zinc/53/42/24/553534224.db2.gz FHKZZVKZCVMMQF-CQSZACIVSA-N -1 1 362.455 2.066 20 0 FEADMM COc1ccc(-c2nc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)co2)cc1 ZINC000299257247 553537934 /nfs/dbraw/zinc/53/79/34/553537934.db2.gz RVSKTMSUFRYIRZ-UHFFFAOYSA-N -1 1 360.395 2.320 20 0 FEADMM Cc1nncn1-c1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000504246685 561654972 /nfs/dbraw/zinc/65/49/72/561654972.db2.gz LFRQYOUNLBTHGH-UHFFFAOYSA-N -1 1 364.408 2.136 20 0 FEADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000504508523 561659096 /nfs/dbraw/zinc/65/90/96/561659096.db2.gz VBRLZWNPARBKLU-UHFFFAOYSA-N -1 1 361.379 2.217 20 0 FEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c(OC)c1 ZINC000505125076 561666617 /nfs/dbraw/zinc/66/66/17/561666617.db2.gz UHELDOPDNPUMHK-UHFFFAOYSA-N -1 1 370.365 2.038 20 0 FEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c(OC)c1 ZINC000505125076 561666618 /nfs/dbraw/zinc/66/66/18/561666618.db2.gz UHELDOPDNPUMHK-UHFFFAOYSA-N -1 1 370.365 2.038 20 0 FEADMM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000319537544 553763507 /nfs/dbraw/zinc/76/35/07/553763507.db2.gz BPQRIZVBOVKFAF-UHFFFAOYSA-N -1 1 357.819 2.244 20 0 FEADMM CCOC(=O)c1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000320413836 553764570 /nfs/dbraw/zinc/76/45/70/553764570.db2.gz IFPIKPJBJRSHSM-UHFFFAOYSA-N -1 1 355.393 2.424 20 0 FEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000326656644 553782486 /nfs/dbraw/zinc/78/24/86/553782486.db2.gz ZKLJQLCZHPBOGE-UHFFFAOYSA-N -1 1 372.443 2.199 20 0 FEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)c(C(=O)[O-])c1 ZINC000326644156 553782538 /nfs/dbraw/zinc/78/25/38/553782538.db2.gz AQLDTINWRZLHBC-UHFFFAOYSA-N -1 1 359.363 2.016 20 0 FEADMM COc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1OC ZINC000327380985 553788421 /nfs/dbraw/zinc/78/84/21/553788421.db2.gz OMSKRTYNYBYQFA-UHFFFAOYSA-N -1 1 367.379 2.217 20 0 FEADMM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C)nc3)cc2)n1 ZINC000506664189 561705292 /nfs/dbraw/zinc/70/52/92/561705292.db2.gz ZIRTVWDBKBXKMN-UHFFFAOYSA-N -1 1 360.395 2.461 20 0 FEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c1 ZINC000506795240 561708698 /nfs/dbraw/zinc/70/86/98/561708698.db2.gz KIEABXOQLNXLTQ-UHFFFAOYSA-N -1 1 363.439 2.428 20 0 FEADMM CS[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2O)C[C@@H]1[NH+]1CCCC1 ZINC000329601412 553974993 /nfs/dbraw/zinc/97/49/93/553974993.db2.gz KORUYPZSPOZVFE-JKSUJKDBSA-N -1 1 372.494 2.296 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(Cl)c(OC(F)F)c1 ZINC000507533570 561732271 /nfs/dbraw/zinc/73/22/71/561732271.db2.gz RKHUHKMJJJTCKE-UHFFFAOYSA-N -1 1 371.727 2.411 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)NC)c2)cc1 ZINC000507638565 561736116 /nfs/dbraw/zinc/73/61/16/561736116.db2.gz TTXLUXGRPKYBTF-UHFFFAOYSA-N -1 1 372.443 2.097 20 0 FEADMM Cn1ncc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1Cc1ccccc1 ZINC000507862569 561743839 /nfs/dbraw/zinc/74/38/39/561743839.db2.gz KUSJBIWDYUCXLQ-CQSZACIVSA-N -1 1 367.409 2.119 20 0 FEADMM Cc1nn(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1-c1ccccc1 ZINC000507875991 561744300 /nfs/dbraw/zinc/74/43/00/561744300.db2.gz VUIZKDQBGFBEFO-HNNXBMFYSA-N -1 1 367.409 2.353 20 0 FEADMM O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507919175 561745963 /nfs/dbraw/zinc/74/59/63/561745963.db2.gz QUJWWISABMEPTH-SNVBAGLBSA-N -1 1 372.303 2.131 20 0 FEADMM C[C@@H]1CC(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@@H](C)O1 ZINC000330511646 554131912 /nfs/dbraw/zinc/13/19/12/554131912.db2.gz JIBYBYKMZXTMAY-VXGBXAGGSA-N -1 1 372.487 2.290 20 0 FEADMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cnc3n2CCC3)c(Cl)c1 ZINC000508088240 561751066 /nfs/dbraw/zinc/75/10/66/561751066.db2.gz ZJYFCNMTQHWXFK-UHFFFAOYSA-N -1 1 369.830 2.379 20 0 FEADMM NC(=O)[C@@H]1CCCN(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000330800614 554172682 /nfs/dbraw/zinc/17/26/82/554172682.db2.gz DONWQJLAYZWNCB-SSDOTTSWSA-N -1 1 364.349 2.067 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C2CCN(C(=O)CC(C)C)CC2)sc1C ZINC000330991449 554198664 /nfs/dbraw/zinc/19/86/64/554198664.db2.gz NCCBJDIRZHLAAY-UHFFFAOYSA-N -1 1 359.517 2.075 20 0 FEADMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cccc4c3OCO4)cc2N1 ZINC000509090458 561784479 /nfs/dbraw/zinc/78/44/79/561784479.db2.gz SHFFJQZBUZNIDD-UHFFFAOYSA-N -1 1 364.354 2.240 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c[nH]1 ZINC000509535834 561804345 /nfs/dbraw/zinc/80/43/45/561804345.db2.gz GPSZHDFEBRKFOC-UHFFFAOYSA-N -1 1 360.351 2.096 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000332148106 554390296 /nfs/dbraw/zinc/39/02/96/554390296.db2.gz LAHUMHSCVMEPNA-RWMBFGLXSA-N -1 1 355.460 2.224 20 0 FEADMM CO[C@@H](C)c1nsc(=NCCCN2CCN(c3ccccc3)CC2)[n-]1 ZINC000509695243 561810845 /nfs/dbraw/zinc/81/08/45/561810845.db2.gz COUYEEWNNNRUKO-HNNXBMFYSA-N -1 1 361.515 2.292 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnc3c(cnn3CC(C)C)c2)n1 ZINC000510007806 561821810 /nfs/dbraw/zinc/82/18/10/561821810.db2.gz NGOREFTYYCRZGN-UHFFFAOYSA-N -1 1 356.386 2.239 20 0 FEADMM COc1cc(C(=O)N2CCC(c3nncn3C)CC2)cc(Cl)c1[O-] ZINC000332441410 554446820 /nfs/dbraw/zinc/44/68/20/554446820.db2.gz IAWSIORJMCWJLM-UHFFFAOYSA-N -1 1 350.806 2.203 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)n1 ZINC000510019495 561822183 /nfs/dbraw/zinc/82/21/83/561822183.db2.gz GPPVOBHRZZSIHK-UHFFFAOYSA-N -1 1 374.788 2.381 20 0 FEADMM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CNC(=O)c2ncccc2[O-])C2CC2)o1 ZINC000509989365 561821018 /nfs/dbraw/zinc/82/10/18/561821018.db2.gz NFYHRRWINVVGEJ-DOMZBBRYSA-N -1 1 369.421 2.425 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)n1 ZINC000510004317 561821433 /nfs/dbraw/zinc/82/14/33/561821433.db2.gz YCDRZQAGRUZCMP-LLVKDONJSA-N -1 1 350.419 2.000 20 0 FEADMM Cc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)[n-]c(=O)c1C ZINC000332584939 554477169 /nfs/dbraw/zinc/47/71/69/554477169.db2.gz BGNMCEGDVSTQAW-JOYOIKCWSA-N -1 1 352.460 2.296 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(=O)[n-]1 ZINC000333081972 554569014 /nfs/dbraw/zinc/56/90/14/554569014.db2.gz MFQLGXMCOSZJPX-STQMWFEESA-N -1 1 351.472 2.030 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n[n-]1)c1ccccc1 ZINC000333499885 554618955 /nfs/dbraw/zinc/61/89/55/554618955.db2.gz RZGOKSWLRLIZTD-GDAAHCPNSA-N -1 1 368.481 3.016 20 0 FEADMM COc1cc(NC(=O)NCCc2ccsc2)ccc1[N-]S(C)(=O)=O ZINC000510850419 561848340 /nfs/dbraw/zinc/84/83/40/561848340.db2.gz DNYBIULVOLNFDV-UHFFFAOYSA-N -1 1 369.468 2.492 20 0 FEADMM COc1cc(O)cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000510903479 561850221 /nfs/dbraw/zinc/85/02/21/561850221.db2.gz RCHAEJJUQJWQOW-UHFFFAOYSA-N -1 1 368.411 2.323 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(Cl)ccc1NC1CC1 ZINC000511080797 561856202 /nfs/dbraw/zinc/85/62/02/561856202.db2.gz KLMYZLIYGAKUKU-UHFFFAOYSA-N -1 1 360.801 2.383 20 0 FEADMM CCCCS(=O)(=O)Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000350274535 554775043 /nfs/dbraw/zinc/77/50/43/554775043.db2.gz ITZXVHFHDJBUCR-UHFFFAOYSA-N -1 1 374.422 2.406 20 0 FEADMM CCOc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C)o3)n2)cc1F ZINC000350514680 554794132 /nfs/dbraw/zinc/79/41/32/554794132.db2.gz YJABNLDGSZQTDN-UHFFFAOYSA-N -1 1 367.358 2.443 20 0 FEADMM Cc1c([C@@H]2[C@@H](c3nc(-c4ccc([O-])cc4F)no3)CC(=O)N2C)cnn1C ZINC000350612839 554802693 /nfs/dbraw/zinc/80/26/93/554802693.db2.gz QHTYBJKUPFPHSC-LRDDRELGSA-N -1 1 371.372 2.310 20 0 FEADMM CN(C)S(=O)(=O)c1c[nH]c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000350819050 554815915 /nfs/dbraw/zinc/81/59/15/554815915.db2.gz YEBXOISNJRVCRW-UHFFFAOYSA-N -1 1 368.802 2.341 20 0 FEADMM Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000363165382 555043794 /nfs/dbraw/zinc/04/37/94/555043794.db2.gz CPUKVEYBQIQCNZ-HNNXBMFYSA-N -1 1 359.478 2.008 20 0 FEADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000363354505 555084835 /nfs/dbraw/zinc/08/48/35/555084835.db2.gz BGTJMONLBMQDBM-UHFFFAOYSA-N -1 1 373.434 2.040 20 0 FEADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000511999946 561888514 /nfs/dbraw/zinc/88/85/14/561888514.db2.gz HVBRHTKFXQDIQJ-GTNSWQLSSA-N -1 1 370.409 2.189 20 0 FEADMM COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000363755160 555179232 /nfs/dbraw/zinc/17/92/32/555179232.db2.gz DHLUHPKHVAEMNG-KGLIPLIRSA-N -1 1 361.423 2.204 20 0 FEADMM Cc1cc([C@@H]2CCCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C2)n[nH]1 ZINC000363817456 555192580 /nfs/dbraw/zinc/19/25/80/555192580.db2.gz IEZOMKIXCMEHAD-YPMHNXCESA-N -1 1 360.380 2.127 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000363848279 555198376 /nfs/dbraw/zinc/19/83/76/555198376.db2.gz RJXYINRPLJTPGO-JTQLQIEISA-N -1 1 370.438 2.284 20 0 FEADMM C[C@H]1CCCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000512142040 561893905 /nfs/dbraw/zinc/89/39/05/561893905.db2.gz GJZYMHZADQFEHA-NSHDSACASA-N -1 1 364.464 2.150 20 0 FEADMM CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000364113993 555252434 /nfs/dbraw/zinc/25/24/34/555252434.db2.gz YWAJYNXUFOQOEX-QZTJIDSGSA-N -1 1 356.422 2.474 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1Cl ZINC000364118653 555253361 /nfs/dbraw/zinc/25/33/61/555253361.db2.gz DJIDOQBZAKBRNJ-LLVKDONJSA-N -1 1 372.874 2.333 20 0 FEADMM COc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1[N-]S(C)(=O)=O ZINC000512283149 561898594 /nfs/dbraw/zinc/89/85/94/561898594.db2.gz XAHAVMUZEZWKTA-UHFFFAOYSA-N -1 1 374.422 2.206 20 0 FEADMM O=C(COc1ccccc1)N1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000364232519 555275386 /nfs/dbraw/zinc/27/53/86/555275386.db2.gz XMVFFQGIRUKGSH-UHFFFAOYSA-N -1 1 372.396 2.285 20 0 FEADMM Cc1n[n-]c(=NC(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)s1 ZINC000364298680 555286958 /nfs/dbraw/zinc/28/69/58/555286958.db2.gz WXHHKWCJJCPXTL-UHFFFAOYSA-N -1 1 360.365 3.000 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N=c1cc([C@@H]2C[C@@H]2C)[nH][nH]1 ZINC000616442551 555306161 /nfs/dbraw/zinc/30/61/61/555306161.db2.gz BBPMJQCQEKPXGU-GXFFZTMASA-N -1 1 364.409 2.168 20 0 FEADMM O=C(c1ncccc1[O-])N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000364468930 555319361 /nfs/dbraw/zinc/31/93/61/555319361.db2.gz SLVCIHTYWHJKOC-CYBMUJFWSA-N -1 1 352.350 2.051 20 0 FEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000364506575 555325993 /nfs/dbraw/zinc/32/59/93/555325993.db2.gz GKIARGUSPDIEAS-CYBMUJFWSA-N -1 1 373.413 2.418 20 0 FEADMM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364744598 555391955 /nfs/dbraw/zinc/39/19/55/555391955.db2.gz FHTASXYWDJDQRV-KBXCAEBGSA-N -1 1 361.438 2.398 20 0 FEADMM Cn1ccc(C=CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC000365215806 555513165 /nfs/dbraw/zinc/51/31/65/555513165.db2.gz QNSUIOOBSWVYEA-FIMWJMCYSA-N -1 1 360.780 2.250 20 0 FEADMM COc1ccc(NC(=O)NCCC2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000513074939 561924340 /nfs/dbraw/zinc/92/43/40/561924340.db2.gz JTXOKZIHFVDVBF-UHFFFAOYSA-N -1 1 371.459 2.005 20 0 FEADMM O=C(NC1CCN(C(=O)c2c([O-])cnc3ccccc32)CC1)C1CCC1 ZINC000366068201 555742205 /nfs/dbraw/zinc/74/22/05/555742205.db2.gz OEFYJBRJDURPLE-UHFFFAOYSA-N -1 1 353.422 2.461 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)co1 ZINC000366134195 555761265 /nfs/dbraw/zinc/76/12/65/555761265.db2.gz FBPLNYXHIJWTGN-GOSISDBHSA-N -1 1 362.451 2.300 20 0 FEADMM CCN(CC[N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1cccc(C)c1 ZINC000513795419 561950111 /nfs/dbraw/zinc/95/01/11/561950111.db2.gz GONODGCNOPQKLR-UHFFFAOYSA-N -1 1 366.439 2.179 20 0 FEADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1OCCc2sccc21 ZINC000366483037 555856883 /nfs/dbraw/zinc/85/68/83/555856883.db2.gz YLODMGGFQOIUJH-ZUZCIYMTSA-N -1 1 355.419 2.417 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)ccnc1-2 ZINC000806481651 674378502 /nfs/dbraw/zinc/37/85/02/674378502.db2.gz HTAVPPAMBQMOEQ-AWEZNQCLSA-N -1 1 359.817 2.240 20 0 FEADMM Cc1ccc(-c2noc(CN3CCN(Cc4ncccc4[O-])CC3)n2)cc1 ZINC000514785165 561979456 /nfs/dbraw/zinc/97/94/56/561979456.db2.gz FEEXMSRDPHULNB-UHFFFAOYSA-N -1 1 365.437 2.463 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000367657772 556107063 /nfs/dbraw/zinc/10/70/63/556107063.db2.gz KIZRQVJHZAYWNY-LLVKDONJSA-N -1 1 362.411 2.275 20 0 FEADMM Cn1cc([C@@H]2[C@H](CNC(=O)c3cc(F)c([O-])c(F)c3)CCCN2C)cn1 ZINC000368357056 556286454 /nfs/dbraw/zinc/28/64/54/556286454.db2.gz HPLAFFJXAGDESX-ZBEGNZNMSA-N -1 1 364.396 2.217 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000515261085 562002868 /nfs/dbraw/zinc/00/28/68/562002868.db2.gz OFHPWHXBDCXBHM-UHFFFAOYSA-N -1 1 367.354 2.040 20 0 FEADMM O=C(C=Cc1cccnc1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368502309 556328428 /nfs/dbraw/zinc/32/84/28/556328428.db2.gz LZDFNEGSRJXAPF-VFQAQYNWSA-N -1 1 358.764 2.306 20 0 FEADMM CCO[C@H]1C[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000515364117 562007277 /nfs/dbraw/zinc/00/72/77/562007277.db2.gz WJNYKAUAWPYBDW-IRXDYDNUSA-N -1 1 360.435 2.395 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCOCC3(CCC3)C2)c(=O)[n-]1 ZINC000368705408 556391899 /nfs/dbraw/zinc/39/18/99/556391899.db2.gz APYRGMWLQRQZLM-UHFFFAOYSA-N -1 1 351.472 2.174 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(C3CC3)c[nH]2)o1 ZINC000515471885 562011873 /nfs/dbraw/zinc/01/18/73/562011873.db2.gz IOXZRPRASVWHRM-UHFFFAOYSA-N -1 1 352.416 2.209 20 0 FEADMM CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CCC[N-]C(=O)C(F)(F)F)o1 ZINC000368782663 556411620 /nfs/dbraw/zinc/41/16/20/556411620.db2.gz DKAFAIIGOFRBBS-CYBMUJFWSA-N -1 1 361.364 2.121 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000368861321 556431881 /nfs/dbraw/zinc/43/18/81/556431881.db2.gz VJBGXCFOWRTDFC-CRAIPNDOSA-N -1 1 368.433 2.133 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000368947532 556456592 /nfs/dbraw/zinc/45/65/92/556456592.db2.gz WFADDWYKAAOTDR-QGZVFWFLSA-N -1 1 371.418 2.381 20 0 FEADMM Cc1cc(S(=O)(=O)N2CCN([C@H](CC(C)C)C(=O)[O-])CC2)c(C)s1 ZINC000515660140 562018668 /nfs/dbraw/zinc/01/86/68/562018668.db2.gz NQBPOMLLNGPNJJ-CQSZACIVSA-N -1 1 374.528 2.171 20 0 FEADMM NC(=O)c1csc(=NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)[n-]1 ZINC000624536432 556601027 /nfs/dbraw/zinc/60/10/27/556601027.db2.gz PSPXFHQFCFAOQI-LBPRGKRZSA-N -1 1 352.847 2.213 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCCO[C@H]3CCC[C@H]32)c(=O)[n-]1 ZINC000369458701 556604888 /nfs/dbraw/zinc/60/48/88/556604888.db2.gz QYOZXMOPXYGCOB-KGLIPLIRSA-N -1 1 351.472 2.315 20 0 FEADMM O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000369513218 556616254 /nfs/dbraw/zinc/61/62/54/556616254.db2.gz ZKPLNYYSQVQXSE-JTQLQIEISA-N -1 1 361.711 2.086 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)co1 ZINC000369549196 556628602 /nfs/dbraw/zinc/62/86/02/556628602.db2.gz XDHZLBZQYHGBFX-YPMHNXCESA-N -1 1 366.414 2.393 20 0 FEADMM Cc1ncc2c(n1)CC[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C2 ZINC000370024546 556760482 /nfs/dbraw/zinc/76/04/82/556760482.db2.gz DWGIINPCQSMSJU-CYBMUJFWSA-N -1 1 355.442 2.174 20 0 FEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@@H]1O)c1c(Cl)ccnc1Cl ZINC000370233350 556817587 /nfs/dbraw/zinc/81/75/87/556817587.db2.gz OMKFAKNRQMYEIB-NEPJUHHUSA-N -1 1 359.234 2.325 20 0 FEADMM Cn1[n-]cc2c(=O)c(C(=O)N3CCCN(C)c4cc(F)ccc43)cnc1-2 ZINC000370367094 556851452 /nfs/dbraw/zinc/85/14/52/556851452.db2.gz SSMJFTDEZAXAPU-UHFFFAOYSA-N -1 1 355.373 2.300 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCS1 ZINC000370377859 556855201 /nfs/dbraw/zinc/85/52/01/556855201.db2.gz VLNNZOZWQGVBHA-CQSZACIVSA-N -1 1 358.467 2.497 20 0 FEADMM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c2ccccc21 ZINC000370600751 556918504 /nfs/dbraw/zinc/91/85/04/556918504.db2.gz APBCEGFYTDERKZ-RRQGHBQHSA-N -1 1 355.442 2.417 20 0 FEADMM O=C(NC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1)c1ccccn1 ZINC000370731289 556952245 /nfs/dbraw/zinc/95/22/45/556952245.db2.gz VJBUHWGDFJAXMK-UHFFFAOYSA-N -1 1 361.348 2.100 20 0 FEADMM CC(C)(C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000370852698 556991192 /nfs/dbraw/zinc/99/11/92/556991192.db2.gz OPPPCSFOXGCNPR-LBPRGKRZSA-N -1 1 369.347 2.096 20 0 FEADMM CCCCCCOc1ccc(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000370857874 556993014 /nfs/dbraw/zinc/99/30/14/556993014.db2.gz QCBDFDLRAVKRDC-KRWDZBQOSA-N -1 1 373.457 2.301 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1OCCC2=O ZINC000371595546 557234192 /nfs/dbraw/zinc/23/41/92/557234192.db2.gz GFXTWQFNPCMQRD-UHFFFAOYSA-N -1 1 361.375 2.459 20 0 FEADMM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000517967845 562101777 /nfs/dbraw/zinc/10/17/77/562101777.db2.gz HHEBBPARBSQRRD-LURJTMIESA-N -1 1 360.770 2.112 20 0 FEADMM COC(=O)[C@@H]1C[C@@H](NC(=O)c2c(C)[n-]c(=O)nc2SC)c2ccccc21 ZINC000371775289 557290233 /nfs/dbraw/zinc/29/02/33/557290233.db2.gz XHPFKAZXTCQPKD-CHWSQXEVSA-N -1 1 373.434 2.344 20 0 FEADMM CS(=O)(=O)c1ccc(OCCCN2CCC(CC(=O)[O-])CC2)cc1 ZINC000518546758 562114083 /nfs/dbraw/zinc/11/40/83/562114083.db2.gz OYBUNKZZEQMURT-UHFFFAOYSA-N -1 1 355.456 2.046 20 0 FEADMM COc1ccc(NC(=O)C2(C3CC3)CCOCC2)cc1[N-]S(C)(=O)=O ZINC000372084527 557375953 /nfs/dbraw/zinc/37/59/53/557375953.db2.gz VKSNAGVPPJEISE-UHFFFAOYSA-N -1 1 368.455 2.212 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000519146861 562125868 /nfs/dbraw/zinc/12/58/68/562125868.db2.gz BTLDHRGDCLDOLV-ZDUSSCGKSA-N -1 1 371.846 2.234 20 0 FEADMM CCCCc1n[n-]c(=NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000372512202 557489537 /nfs/dbraw/zinc/48/95/37/557489537.db2.gz KNCRJCHXIXDVDZ-CYBMUJFWSA-N -1 1 357.443 2.910 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](n3cccn3)C2)c(=O)[n-]1 ZINC000372551160 557501371 /nfs/dbraw/zinc/50/13/71/557501371.db2.gz AWHJEZMVYPAPIN-ZDUSSCGKSA-N -1 1 361.471 2.205 20 0 FEADMM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372651017 557530076 /nfs/dbraw/zinc/53/00/76/557530076.db2.gz QHWMFCLOECRKOI-HOCLYGCPSA-N -1 1 360.454 2.248 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC[C@H]3CCCCO3)CC2)n1 ZINC000373118100 557632116 /nfs/dbraw/zinc/63/21/16/557632116.db2.gz NIZHNJSNAIOWKR-CQSZACIVSA-N -1 1 364.446 2.037 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3ccc(CC)cc3)CC2)n1 ZINC000373118392 557632270 /nfs/dbraw/zinc/63/22/70/557632270.db2.gz QTYIUFBIUFMYRY-UHFFFAOYSA-N -1 1 370.453 2.493 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[C@@]4(C(=O)[O-])C3)n[nH]2)cc1 ZINC000374115562 557826373 /nfs/dbraw/zinc/82/63/73/557826373.db2.gz SDCMDILYAKVLSE-BFUOFWGJSA-N -1 1 355.394 2.412 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(=O)[n-]1 ZINC000374173190 557836798 /nfs/dbraw/zinc/83/67/98/557836798.db2.gz JYLRALCNQMYVKW-YUELXQCFSA-N -1 1 365.499 2.465 20 0 FEADMM O=C(NCC1CCOCC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000374432212 557883453 /nfs/dbraw/zinc/88/34/53/557883453.db2.gz VJZUDDOAQBMRAA-OAHLLOKOSA-N -1 1 366.845 2.193 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)c1 ZINC000374466141 557887695 /nfs/dbraw/zinc/88/76/95/557887695.db2.gz WLFYZHGASRWGCK-INIZCTEOSA-N -1 1 354.362 2.095 20 0 FEADMM O=C(c1cc2ccccc2cc1[O-])N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374760019 557926919 /nfs/dbraw/zinc/92/69/19/557926919.db2.gz IJWVMASQBJBYPB-UHFFFAOYSA-N -1 1 374.462 2.186 20 0 FEADMM COCc1nc([C@@H]2COCCN2C(=O)c2cc3ccccc3cc2[O-])no1 ZINC000374844108 557939517 /nfs/dbraw/zinc/93/95/17/557939517.db2.gz WQMADDQIXOSNEO-HNNXBMFYSA-N -1 1 369.377 2.289 20 0 FEADMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)ccc2O1 ZINC000375647789 558062081 /nfs/dbraw/zinc/06/20/81/558062081.db2.gz RULWCDWVTRHHDB-UHFFFAOYSA-N -1 1 374.418 2.330 20 0 FEADMM CCOc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000375994733 558111247 /nfs/dbraw/zinc/11/12/47/558111247.db2.gz RXSUCLTZYCEYCI-DOMZBBRYSA-N -1 1 352.818 2.231 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000376012943 558113662 /nfs/dbraw/zinc/11/36/62/558113662.db2.gz LEKCFESCFTYPGA-UHFFFAOYSA-N -1 1 372.450 2.010 20 0 FEADMM O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1c(F)ccc([O-])c1F ZINC000376038944 558117598 /nfs/dbraw/zinc/11/75/98/558117598.db2.gz ZXXBXPZXFCCHTP-NSHDSACASA-N -1 1 361.304 2.184 20 0 FEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000376323542 558157801 /nfs/dbraw/zinc/15/78/01/558157801.db2.gz QLRZNCPUSKTTDA-QPUJVOFHSA-N -1 1 359.810 2.322 20 0 FEADMM Cc1c(C)c(C)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(C)c1C ZINC000376509411 558183134 /nfs/dbraw/zinc/18/31/34/558183134.db2.gz IIKCEQYBGGHBNV-UHFFFAOYSA-N -1 1 368.499 2.010 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N3CC(Cc4ccc(F)c(F)c4)C3)ccnc1-2 ZINC000376641813 558201868 /nfs/dbraw/zinc/20/18/68/558201868.db2.gz MPBMTAPRYKEEHW-KQWNVCNZSA-N -1 1 357.364 2.326 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)ccnc1-2 ZINC000376668457 558205682 /nfs/dbraw/zinc/20/56/82/558205682.db2.gz YUROHJBPCQMWHF-HHOSVAGMSA-N -1 1 372.379 2.020 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c(C)c1 ZINC000376816834 558225222 /nfs/dbraw/zinc/22/52/22/558225222.db2.gz WCNPGCSNCZSUNZ-UHFFFAOYSA-N -1 1 372.406 2.368 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3O[C@@H]2C)o1 ZINC000378165382 558494464 /nfs/dbraw/zinc/49/44/64/558494464.db2.gz YVPIJXWLNWUCQA-OQPBUACISA-N -1 1 355.343 2.006 20 0 FEADMM COc1ccc(NC(=O)N2CC3CCC2CC3)cc1[N-]S(C)(=O)=O ZINC000378381305 558544160 /nfs/dbraw/zinc/54/41/60/558544160.db2.gz KLORYLQUEDZQGD-UHFFFAOYSA-N -1 1 353.444 2.473 20 0 FEADMM CC(C)(C)[C@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000393950939 558621309 /nfs/dbraw/zinc/62/13/09/558621309.db2.gz PHESVKCHLFOOKF-NSHDSACASA-N -1 1 363.195 2.134 20 0 FEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000378515464 558573545 /nfs/dbraw/zinc/57/35/45/558573545.db2.gz DCFLHCIIMFFSCA-GHMZBOCLSA-N -1 1 352.437 2.152 20 0 FEADMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000378602563 558592411 /nfs/dbraw/zinc/59/24/11/558592411.db2.gz AVCLRZZDSQVMOZ-UHFFFAOYSA-N -1 1 362.333 2.140 20 0 FEADMM CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000392237884 558616945 /nfs/dbraw/zinc/61/69/45/558616945.db2.gz VKYZDMIWKWSMJC-UHFFFAOYSA-N -1 1 368.798 2.199 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1C(=O)[O-] ZINC000392651926 558618677 /nfs/dbraw/zinc/61/86/77/558618677.db2.gz UXZSEXVWXIRJJT-UHFFFAOYSA-N -1 1 361.379 2.461 20 0 FEADMM C[C@H](CCCCO)NC(=O)c1cc(I)ccc1[O-] ZINC000398693904 558627147 /nfs/dbraw/zinc/62/71/47/558627147.db2.gz VAVRPYIZYQQDLJ-SECBINFHSA-N -1 1 363.195 2.278 20 0 FEADMM CCOC1(C)CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000399968506 558628837 /nfs/dbraw/zinc/62/88/37/558628837.db2.gz DGMOOJSGSUMIRA-UHFFFAOYSA-N -1 1 361.179 2.248 20 0 FEADMM O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000407998616 558636469 /nfs/dbraw/zinc/63/64/69/558636469.db2.gz QZEXWTBTIQMHBI-NSHDSACASA-N -1 1 374.422 2.229 20 0 FEADMM Cc1c(C(=O)NC2(c3nn[n-]n3)CCCC2)cnn1-c1ccccc1C ZINC000524041138 562223230 /nfs/dbraw/zinc/22/32/30/562223230.db2.gz NIOBQNNGODDQEB-UHFFFAOYSA-N -1 1 351.414 2.202 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)OC(C)(C)C2)o1 ZINC000408262864 558662254 /nfs/dbraw/zinc/66/22/54/558662254.db2.gz NSIBGDJQKZELEF-UHFFFAOYSA-N -1 1 372.487 2.386 20 0 FEADMM COc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc(Cl)c1[O-] ZINC000408265545 558662727 /nfs/dbraw/zinc/66/27/27/558662727.db2.gz LFFUQIOLNZYCMI-DINDLPBHSA-N -1 1 355.818 2.463 20 0 FEADMM O=C(Nc1ccncc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000409452469 558693668 /nfs/dbraw/zinc/69/36/68/558693668.db2.gz MSTNGIRXIIBIBO-UHFFFAOYSA-N -1 1 373.368 2.258 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCCc2c(C)noc2C)c(=O)[n-]1 ZINC000410299955 558750360 /nfs/dbraw/zinc/75/03/60/558750360.db2.gz LUXJNVHMXBHNBI-UHFFFAOYSA-N -1 1 350.444 2.109 20 0 FEADMM COc1ccc(Br)c(CS(=O)(=O)[N-]c2c[nH]nc2C)c1 ZINC000410333908 558751663 /nfs/dbraw/zinc/75/16/63/558751663.db2.gz SEKSMEBGUUTFOB-UHFFFAOYSA-N -1 1 360.233 2.431 20 0 FEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c1 ZINC000410415771 558756272 /nfs/dbraw/zinc/75/62/72/558756272.db2.gz FKHLWIVJFHXWCS-UHFFFAOYSA-N -1 1 374.418 2.319 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)o1 ZINC000524871109 562236430 /nfs/dbraw/zinc/23/64/30/562236430.db2.gz JAEQKLCQCMPVOD-UHFFFAOYSA-N -1 1 362.411 2.371 20 0 FEADMM COc1cc(NC(=O)N(C)C[C@@H]2CCCCO2)ccc1[N-]S(C)(=O)=O ZINC000524895930 562237272 /nfs/dbraw/zinc/23/72/72/562237272.db2.gz YRMDEBUXFFHFPF-ZDUSSCGKSA-N -1 1 371.459 2.100 20 0 FEADMM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)Nc1nn[nH]c1C(N)=O ZINC000410855817 558817534 /nfs/dbraw/zinc/81/75/34/558817534.db2.gz CZRKBNRMTXPNIF-UHFFFAOYSA-N -1 1 359.430 2.307 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1C ZINC000525526257 562249894 /nfs/dbraw/zinc/24/98/94/562249894.db2.gz ZQKGTSXITHRBJO-UHFFFAOYSA-N -1 1 374.418 2.467 20 0 FEADMM CCC1(O)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000412327234 559028216 /nfs/dbraw/zinc/02/82/16/559028216.db2.gz LFGMNOCNEAZMAZ-UHFFFAOYSA-N -1 1 351.200 2.300 20 0 FEADMM COc1cc(NC(=O)C[C@H]2CCC(=O)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000526981394 562271762 /nfs/dbraw/zinc/27/17/62/562271762.db2.gz GIJVIAXPOMRICY-WDEREUQCSA-N -1 1 354.428 2.011 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccnc(C)c2Br)s1 ZINC000526119909 562267560 /nfs/dbraw/zinc/26/75/60/562267560.db2.gz MSOVEALVFFPYML-UHFFFAOYSA-N -1 1 362.274 2.449 20 0 FEADMM CCCCCc1n[n-]c(=NC(=O)NCc2n[nH]c(-c3ccncc3)n2)s1 ZINC000413808933 559131806 /nfs/dbraw/zinc/13/18/06/559131806.db2.gz SJZBHVVKWKGOJS-UHFFFAOYSA-N -1 1 372.458 2.773 20 0 FEADMM CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000414353020 559158157 /nfs/dbraw/zinc/15/81/57/559158157.db2.gz RAMFERCQHCCKIL-UHFFFAOYSA-N -1 1 374.509 2.260 20 0 FEADMM COC(=O)[C@@H](C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000414391411 559160994 /nfs/dbraw/zinc/16/09/94/559160994.db2.gz CNVOJBBJAAVAPI-VIFPVBQESA-N -1 1 367.379 2.364 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccccc2OCC2CC2)C1=O ZINC000414655523 559177636 /nfs/dbraw/zinc/17/76/36/559177636.db2.gz JQSQGYNQHVQQMQ-WMZOPIPTSA-N -1 1 360.454 2.275 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(OCC(F)F)cc2)C1=O ZINC000414668863 559178606 /nfs/dbraw/zinc/17/86/06/559178606.db2.gz XUYULFXGPSMHFW-ZBFHGGJFSA-N -1 1 370.396 2.130 20 0 FEADMM C[C@@H]1CN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCN1 ZINC000415635176 559257176 /nfs/dbraw/zinc/25/71/76/559257176.db2.gz UBTFEAGDYSXWGB-MRVPVSSYSA-N -1 1 355.826 2.823 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000416151869 559294750 /nfs/dbraw/zinc/29/47/50/559294750.db2.gz SUAIEHNYLVCVAG-UHFFFAOYSA-N -1 1 351.790 2.301 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1nc2c(s1)CCC2 ZINC000416187687 559297204 /nfs/dbraw/zinc/29/72/04/559297204.db2.gz GSDPVTISSPNOSJ-UHFFFAOYSA-N -1 1 355.416 2.395 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000416189721 559297292 /nfs/dbraw/zinc/29/72/92/559297292.db2.gz LHJJJOQPTKHHOA-SNVBAGLBSA-N -1 1 365.773 2.194 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000416207696 559298284 /nfs/dbraw/zinc/29/82/84/559298284.db2.gz DZGOECZRAVGPNV-ZDUSSCGKSA-N -1 1 372.425 2.467 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(C(F)(F)F)CCCC2)c1 ZINC000416232879 559300145 /nfs/dbraw/zinc/30/01/45/559300145.db2.gz GWQFOPDLHDWGPR-UHFFFAOYSA-N -1 1 366.361 2.362 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000416240088 559300558 /nfs/dbraw/zinc/30/05/58/559300558.db2.gz AXVMEWYLNGFWOR-LBPRGKRZSA-N -1 1 369.381 2.140 20 0 FEADMM COc1cc(C(=O)N=c2cc(C)n(CC(F)(F)F)[nH]2)cc(OC)c1[O-] ZINC000416326018 559305790 /nfs/dbraw/zinc/30/57/90/559305790.db2.gz UJIFCUVPOGCKSP-UHFFFAOYSA-N -1 1 359.304 2.729 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)c1ccco1 ZINC000416412024 559311077 /nfs/dbraw/zinc/31/10/77/559311077.db2.gz BHDAVFDYCDJZCD-ZDUSSCGKSA-N -1 1 363.395 2.359 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2)c1ccco1 ZINC000416420888 559311819 /nfs/dbraw/zinc/31/18/19/559311819.db2.gz YGWHQNSYRUNIEH-VIFPVBQESA-N -1 1 361.322 2.267 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCC(=O)N1 ZINC000416499175 559317951 /nfs/dbraw/zinc/31/79/51/559317951.db2.gz AKMHBWDDTDSRNC-LBPRGKRZSA-N -1 1 355.218 2.080 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(C)c(C)c2)sc1C ZINC000416513985 559319054 /nfs/dbraw/zinc/31/90/54/559319054.db2.gz FNLGYQUCBYJBDT-HNNXBMFYSA-N -1 1 354.497 2.259 20 0 FEADMM CC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)OC)CC(F)(F)F ZINC000416605761 559324834 /nfs/dbraw/zinc/32/48/34/559324834.db2.gz YMLKNUQQTKYVTB-ZETCQYMHSA-N -1 1 360.379 2.187 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)NCC1(c2c(F)cccc2F)CCC1 ZINC000416607305 559324969 /nfs/dbraw/zinc/32/49/69/559324969.db2.gz YVTIYQUBBJASBB-UHFFFAOYSA-N -1 1 357.382 2.244 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1(c2c(F)cccc2F)CCC1 ZINC000416607305 559324970 /nfs/dbraw/zinc/32/49/70/559324970.db2.gz YVTIYQUBBJASBB-UHFFFAOYSA-N -1 1 357.382 2.244 20 0 FEADMM O=S(=O)([N-][C@@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)c(F)c1Cl ZINC000416618944 559325602 /nfs/dbraw/zinc/32/56/02/559325602.db2.gz WZIUUCWEMXINRR-SCZZXKLOSA-N -1 1 372.245 2.198 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)o1 ZINC000416648468 559327514 /nfs/dbraw/zinc/32/75/14/559327514.db2.gz NKJFBVJATCCDRE-CYBMUJFWSA-N -1 1 351.380 2.006 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CS[C@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000416815537 559333514 /nfs/dbraw/zinc/33/35/14/559333514.db2.gz HWSGFUOXMLQCCU-MWLCHTKSSA-N -1 1 359.473 2.082 20 0 FEADMM COc1ccc(Br)cc1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417594572 559368639 /nfs/dbraw/zinc/36/86/39/559368639.db2.gz IYJWAEWPZVFVOS-CYBMUJFWSA-N -1 1 354.204 2.107 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)OC ZINC000420679385 559497423 /nfs/dbraw/zinc/49/74/23/559497423.db2.gz OZSLFQVCPROBDH-LBPRGKRZSA-N -1 1 359.835 2.234 20 0 FEADMM COc1cc(O)cc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421147740 559526734 /nfs/dbraw/zinc/52/67/34/559526734.db2.gz FWQUYICEQCJYAK-KRWDZBQOSA-N -1 1 351.424 2.400 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cnn(Cc2ccncc2)c1 ZINC000421155312 559527177 /nfs/dbraw/zinc/52/71/77/559527177.db2.gz OEJQZUSHUCIOCK-MRXNPFEDSA-N -1 1 352.460 2.129 20 0 FEADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@]12CCOC2 ZINC000422077178 559564015 /nfs/dbraw/zinc/56/40/15/559564015.db2.gz AXYKGQPATHOQKW-LJQANCHMSA-N -1 1 372.446 2.492 20 0 FEADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000422539106 559593627 /nfs/dbraw/zinc/59/36/27/559593627.db2.gz JKXFVQFADMJPIG-GDLVEWKHSA-N -1 1 369.259 2.335 20 0 FEADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000422539108 559593632 /nfs/dbraw/zinc/59/36/32/559593632.db2.gz JKXFVQFADMJPIG-GLKRBJQHSA-N -1 1 369.259 2.335 20 0 FEADMM Cc1nc([C@H](C)S(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)no1 ZINC000424208555 559657792 /nfs/dbraw/zinc/65/77/92/559657792.db2.gz QOWJQCWNYHXOFQ-VIFPVBQESA-N -1 1 359.411 2.187 20 0 FEADMM Cc1nc([C@H](C)S(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)no1 ZINC000424208555 559657793 /nfs/dbraw/zinc/65/77/93/559657793.db2.gz QOWJQCWNYHXOFQ-VIFPVBQESA-N -1 1 359.411 2.187 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](n2ccnn2)C1 ZINC000425011146 559683577 /nfs/dbraw/zinc/68/35/77/559683577.db2.gz XBSUPMGANBVBTM-LLVKDONJSA-N -1 1 351.204 2.224 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@H]2C)c(F)c1 ZINC000425223126 559692179 /nfs/dbraw/zinc/69/21/79/559692179.db2.gz YPUSKDNZZLISRT-VXGBXAGGSA-N -1 1 360.426 2.341 20 0 FEADMM O=C(c1ccn(-c2ccccc2F)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425329397 559696995 /nfs/dbraw/zinc/69/69/95/559696995.db2.gz ZIFPZIFDIXQODV-UHFFFAOYSA-N -1 1 357.345 2.120 20 0 FEADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000426368445 559733524 /nfs/dbraw/zinc/73/35/24/559733524.db2.gz AGQJTSBNYSKSLA-KGLIPLIRSA-N -1 1 366.535 2.557 20 0 FEADMM CO[C@@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc(O)cc1 ZINC000427088608 559747536 /nfs/dbraw/zinc/74/75/36/559747536.db2.gz UIMUCQAGTGRZKL-OAHLLOKOSA-N -1 1 368.386 2.229 20 0 FEADMM CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)c1ncc(C)cc1[O-] ZINC000427111540 559748093 /nfs/dbraw/zinc/74/80/93/559748093.db2.gz SGWSAYUTWGSQBT-UHFFFAOYSA-N -1 1 362.382 2.154 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3ncc(C)cc3[O-])C2)c1 ZINC000427152182 559749247 /nfs/dbraw/zinc/74/92/47/559749247.db2.gz ZJWLEXLTLBQWQS-AWEZNQCLSA-N -1 1 371.437 2.369 20 0 FEADMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ncc(C)cc3[O-])C2)c1 ZINC000427248720 559751350 /nfs/dbraw/zinc/75/13/50/559751350.db2.gz HOZGHHLZLAUEGG-CYBMUJFWSA-N -1 1 357.410 2.122 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2OC)cnc1C ZINC000427298027 559752620 /nfs/dbraw/zinc/75/26/20/559752620.db2.gz YPYAOYNCMLTFML-UHFFFAOYSA-N -1 1 354.359 2.125 20 0 FEADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000427335999 559753648 /nfs/dbraw/zinc/75/36/48/559753648.db2.gz PHVPFCVUPRZUER-MRXNPFEDSA-N -1 1 371.455 2.321 20 0 FEADMM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncccc1[O-] ZINC000427448877 559755617 /nfs/dbraw/zinc/75/56/17/559755617.db2.gz CYUDQGTZHBXHBL-UHFFFAOYSA-N -1 1 367.327 2.194 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1 ZINC000427744347 559761229 /nfs/dbraw/zinc/76/12/29/559761229.db2.gz ALXLSTGSEWWTST-UHFFFAOYSA-N -1 1 359.451 2.416 20 0 FEADMM Cc1cnc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c([O-])c1 ZINC000427768059 559761939 /nfs/dbraw/zinc/76/19/39/559761939.db2.gz QXMSXLPMYQGOOP-UHFFFAOYSA-N -1 1 359.813 2.234 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)n(C3CC3)c2C)c1 ZINC000427891285 559764839 /nfs/dbraw/zinc/76/48/39/559764839.db2.gz AUSDYKKCSAQNSE-UHFFFAOYSA-N -1 1 363.439 2.306 20 0 FEADMM O=S(=O)([N-][C@H]1Cc2cccc(O)c2C1)c1ccc(Br)o1 ZINC000428428867 559775534 /nfs/dbraw/zinc/77/55/34/559775534.db2.gz ZLVNZIWVLVSRGF-VIFPVBQESA-N -1 1 358.213 2.193 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccccc1Br)c1ncccc1[O-] ZINC000430144954 559814066 /nfs/dbraw/zinc/81/40/66/559814066.db2.gz BGBBIDVEDUEEFA-LLVKDONJSA-N -1 1 365.227 2.131 20 0 FEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)c1 ZINC000431171776 559835385 /nfs/dbraw/zinc/83/53/85/559835385.db2.gz ZVRPBZWOEFLNOD-UHFFFAOYSA-N -1 1 351.359 2.320 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c1C ZINC000432622993 559861944 /nfs/dbraw/zinc/86/19/44/559861944.db2.gz ZYTJYRHBDPTREU-UHFFFAOYSA-N -1 1 374.418 2.101 20 0 FEADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000433600695 559884885 /nfs/dbraw/zinc/88/48/85/559884885.db2.gz SPXOFTDPIHVMEE-UHFFFAOYSA-N -1 1 371.422 2.271 20 0 FEADMM CCOCCOCCN(C)C(=O)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000434071699 559893548 /nfs/dbraw/zinc/89/35/48/559893548.db2.gz LFGBVNWJPRLSEO-UHFFFAOYSA-N -1 1 351.378 2.998 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3[C@@H]4CCC[C@@H]43)c2)n1 ZINC000434422081 559900222 /nfs/dbraw/zinc/90/02/22/559900222.db2.gz OKVVIBAHHJGOEL-FICVDOATSA-N -1 1 369.425 2.246 20 0 FEADMM Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(=O)[nH]1 ZINC000435437451 559923058 /nfs/dbraw/zinc/92/30/58/559923058.db2.gz JZNQCTOSKYNUEN-UHFFFAOYSA-N -1 1 366.201 2.415 20 0 FEADMM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C(=O)OC)co2)cc1 ZINC000435434279 559922823 /nfs/dbraw/zinc/92/28/23/559922823.db2.gz ROCKUTCFZYYUHX-LSDHHAIUSA-N -1 1 365.407 2.299 20 0 FEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000436159072 559936482 /nfs/dbraw/zinc/93/64/82/559936482.db2.gz XZYCVXQWAHMPIA-UHFFFAOYSA-N -1 1 366.326 2.260 20 0 FEADMM CCc1cc(=O)[n-]c(SCCOc2cccc(S(C)(=O)=O)c2)n1 ZINC000436196834 559937298 /nfs/dbraw/zinc/93/72/98/559937298.db2.gz ISIUPJGNSKGPJY-UHFFFAOYSA-N -1 1 354.453 2.319 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1C ZINC000436478788 559942697 /nfs/dbraw/zinc/94/26/97/559942697.db2.gz QZGQBAJWDOKTJP-UHFFFAOYSA-N -1 1 364.406 2.245 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000436502232 559943388 /nfs/dbraw/zinc/94/33/88/559943388.db2.gz CNXJYDFJZMEWAX-UHFFFAOYSA-N -1 1 358.325 2.455 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000436503427 559943492 /nfs/dbraw/zinc/94/34/92/559943492.db2.gz KESHFXAARIXCOA-GOSISDBHSA-N -1 1 370.405 2.018 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CSc2nncn2C(C)C)c1 ZINC000436516117 559943887 /nfs/dbraw/zinc/94/38/87/559943887.db2.gz UOBWGSREHZXVFP-UHFFFAOYSA-N -1 1 350.400 2.082 20 0 FEADMM O=C(CNC(=O)c1cc(Cl)ccc1[O-])N[C@H]1CCOc2ccccc21 ZINC000436522901 559944376 /nfs/dbraw/zinc/94/43/76/559944376.db2.gz YDURNAYZBRRTTJ-AWEZNQCLSA-N -1 1 360.797 2.415 20 0 FEADMM CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1cc(F)ccc1[O-] ZINC000436532111 559944653 /nfs/dbraw/zinc/94/46/53/559944653.db2.gz FFTSHDIZCCQXHQ-CQSZACIVSA-N -1 1 364.398 2.298 20 0 FEADMM O=C(CNC(=O)c1cc(Cl)ccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000436536766 559944875 /nfs/dbraw/zinc/94/48/75/559944875.db2.gz CJOGVOMJNQYSPG-UHFFFAOYSA-N -1 1 373.840 2.124 20 0 FEADMM CC(C)C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)N=c1cc[nH][nH]1 ZINC000436565805 559945532 /nfs/dbraw/zinc/94/55/32/559945532.db2.gz JQXBSLPOPJWELH-MRXNPFEDSA-N -1 1 366.421 3.052 20 0 FEADMM Cc1nc(Cn2nnc(NC(=O)c3cc4ccccc4cc3[O-])c2C)no1 ZINC000436667245 559948122 /nfs/dbraw/zinc/94/81/22/559948122.db2.gz SJWICYHAVRKBNE-UHFFFAOYSA-N -1 1 364.365 2.437 20 0 FEADMM COCCN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CCO[C@@H]1C ZINC000436728203 559950235 /nfs/dbraw/zinc/95/02/35/559950235.db2.gz IUURXRWMSRCCIQ-ZWNOBZJWSA-N -1 1 358.232 2.421 20 0 FEADMM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3c([O-])cccc3F)C2=O)c1 ZINC000436740214 559950555 /nfs/dbraw/zinc/95/05/55/559950555.db2.gz YGDNTICCGUUBNX-HNNXBMFYSA-N -1 1 374.368 2.084 20 0 FEADMM COC(=O)[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc21 ZINC000436787452 559952115 /nfs/dbraw/zinc/95/21/15/559952115.db2.gz OQUFURNURIZHGX-HNNXBMFYSA-N -1 1 354.362 2.268 20 0 FEADMM CCS(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000436795885 559952322 /nfs/dbraw/zinc/95/23/22/559952322.db2.gz SBJJRQPRDQXEOH-CYBMUJFWSA-N -1 1 362.451 2.041 20 0 FEADMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cnn1CC(C)C ZINC000436841257 559953907 /nfs/dbraw/zinc/95/39/07/559953907.db2.gz UAXOQJBVTSBBCJ-UHFFFAOYSA-N -1 1 367.427 2.361 20 0 FEADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436888728 559955491 /nfs/dbraw/zinc/95/54/91/559955491.db2.gz OGNQYWJCPZMJIQ-CQSZACIVSA-N -1 1 355.390 2.413 20 0 FEADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)nn1-c1ccc(F)cc1F ZINC000436931258 559956916 /nfs/dbraw/zinc/95/69/16/559956916.db2.gz JAUBCNPQDFJKFX-UHFFFAOYSA-N -1 1 357.316 2.986 20 0 FEADMM CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000437003687 559959447 /nfs/dbraw/zinc/95/94/47/559959447.db2.gz OYHBWFHHRTUEAY-UHFFFAOYSA-N -1 1 353.327 2.233 20 0 FEADMM Cc1ccc([C@H](NC(=O)c2ncc(C)cc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000437845438 559970468 /nfs/dbraw/zinc/97/04/68/559970468.db2.gz RZRNDQMMSQAQEZ-CZUORRHYSA-N -1 1 362.451 2.308 20 0 FEADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)ccc1O ZINC000438139823 559974688 /nfs/dbraw/zinc/97/46/88/559974688.db2.gz ZALIYQUNRAQKJZ-UHFFFAOYSA-N -1 1 368.411 2.323 20 0 FEADMM O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)F)c1csc(=NC2CC2)[n-]1 ZINC000438315135 559977176 /nfs/dbraw/zinc/97/71/76/559977176.db2.gz KIFNIARTIPUIOQ-OCCSQVGLSA-N -1 1 367.421 2.685 20 0 FEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1 ZINC000438769941 559983388 /nfs/dbraw/zinc/98/33/88/559983388.db2.gz GNQODZHVIJBWHM-UHFFFAOYSA-N -1 1 357.428 2.480 20 0 FEADMM CN(C)C(=O)Cn1ccc2ccc(NC(=O)c3ccc(O)cc3[O-])cc21 ZINC000439054059 559987937 /nfs/dbraw/zinc/98/79/37/559987937.db2.gz GOZVINWOGGWLMA-UHFFFAOYSA-N -1 1 353.378 2.393 20 0 FEADMM COc1cc2c(cc1F)ncnc2Oc1ccc([N-]S(C)(=O)=O)nc1 ZINC000439129608 559988908 /nfs/dbraw/zinc/98/89/08/559988908.db2.gz QYOWJLSNIXQLAI-UHFFFAOYSA-N -1 1 364.358 2.336 20 0 FEADMM O=C(CSc1nnc(-c2cccc3ccccc32)o1)Nc1nnn[n-]1 ZINC000439276740 559991436 /nfs/dbraw/zinc/99/14/36/559991436.db2.gz PHCFQMPDWPBOBX-UHFFFAOYSA-N -1 1 353.367 2.134 20 0 FEADMM O=C(CSc1nnc(-c2cccc3ccccc32)o1)Nc1nn[n-]n1 ZINC000439276740 559991437 /nfs/dbraw/zinc/99/14/37/559991437.db2.gz PHCFQMPDWPBOBX-UHFFFAOYSA-N -1 1 353.367 2.134 20 0 FEADMM CC(C)C(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000439746152 559999609 /nfs/dbraw/zinc/99/96/09/559999609.db2.gz PPWXGDZFEJYJIN-UHFFFAOYSA-N -1 1 370.471 2.034 20 0 FEADMM C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OCC ZINC000440093047 560004517 /nfs/dbraw/zinc/00/45/17/560004517.db2.gz RCPSUSACGZUYCJ-ATPLWMGHSA-N -1 1 351.346 2.280 20 0 FEADMM C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)OCC ZINC000440093049 560004559 /nfs/dbraw/zinc/00/45/59/560004559.db2.gz RCPSUSACGZUYCJ-RXNUUUNCSA-N -1 1 351.346 2.280 20 0 FEADMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)s1 ZINC000441560506 560035709 /nfs/dbraw/zinc/03/57/09/560035709.db2.gz YXAHCAVTRODCOF-UHFFFAOYSA-N -1 1 372.439 2.346 20 0 FEADMM O=C1CCN1c1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000443095737 560070426 /nfs/dbraw/zinc/07/04/26/560070426.db2.gz SWPHFXPWXOTCQG-UHFFFAOYSA-N -1 1 370.352 2.319 20 0 FEADMM COc1cc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc(Cl)c1[O-] ZINC000443103734 560070659 /nfs/dbraw/zinc/07/06/59/560070659.db2.gz BUBNDJMLULDQBW-UHFFFAOYSA-N -1 1 374.784 2.191 20 0 FEADMM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443124206 560071709 /nfs/dbraw/zinc/07/17/09/560071709.db2.gz ANSNLDUOZUAXEG-MRVPVSSYSA-N -1 1 355.696 2.278 20 0 FEADMM CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ncc[nH]1 ZINC000443135240 560072343 /nfs/dbraw/zinc/07/23/43/560072343.db2.gz VMXYRGIXTLEOMB-OAHLLOKOSA-N -1 1 366.425 2.476 20 0 FEADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000443154138 560072944 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CCOc1ccc(-c2nc(C)c(C(=O)NC3(c4nn[n-]n4)CC3)s2)cc1 ZINC000470978055 560995727 /nfs/dbraw/zinc/99/57/27/560995727.db2.gz XCNNCNJXECOCLD-UHFFFAOYSA-N -1 1 370.438 2.449 20 0 FEADMM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccon3)n2)cc1F ZINC000471891635 561013938 /nfs/dbraw/zinc/01/39/38/561013938.db2.gz AJYYLSJFHWHHNV-JTQLQIEISA-N -1 1 366.374 2.353 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccnn1-c1ccccc1 ZINC000472147392 561019231 /nfs/dbraw/zinc/01/92/31/561019231.db2.gz LCNFYYJXIYNULS-UHFFFAOYSA-N -1 1 362.393 2.167 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000472919774 561037819 /nfs/dbraw/zinc/03/78/19/561037819.db2.gz UCMGIVJPAGEXMJ-XQQFMLRXSA-N -1 1 370.471 2.044 20 0 FEADMM O=C(NCc1ncccc1O)c1ccc(I)c([O-])c1 ZINC000473636831 561054831 /nfs/dbraw/zinc/05/48/31/561054831.db2.gz HPKOCDCMPYBOIS-UHFFFAOYSA-N -1 1 370.146 2.027 20 0 FEADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c1 ZINC000473762232 561057362 /nfs/dbraw/zinc/05/73/62/561057362.db2.gz HEUSYIGTOOSTTI-UHFFFAOYSA-N -1 1 363.439 2.434 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccc1Cn1ccnc1 ZINC000474717581 561081177 /nfs/dbraw/zinc/08/11/77/561081177.db2.gz YDLBDQJZDFCIKR-UHFFFAOYSA-N -1 1 369.450 2.387 20 0 FEADMM CO[C@@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccc(F)cc1 ZINC000474983785 561086951 /nfs/dbraw/zinc/08/69/51/561086951.db2.gz GIZATFNGMXRXJX-LBPRGKRZSA-N -1 1 351.403 2.469 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c[nH]1 ZINC000475731838 561103813 /nfs/dbraw/zinc/10/38/13/561103813.db2.gz FUFARJXVIDPCHZ-UHFFFAOYSA-N -1 1 372.786 2.262 20 0 FEADMM CC[C@@H](CCO)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000476092512 561111203 /nfs/dbraw/zinc/11/12/03/561111203.db2.gz XRLDVDYKCCRIKE-AWEZNQCLSA-N -1 1 358.442 2.010 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)c1 ZINC000476417255 561118946 /nfs/dbraw/zinc/11/89/46/561118946.db2.gz UEHRUNPHQAEUIA-LBPRGKRZSA-N -1 1 366.414 2.046 20 0 FEADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000476488136 561120757 /nfs/dbraw/zinc/12/07/57/561120757.db2.gz LBKSRMHXQKJHBH-UHFFFAOYSA-N -1 1 362.407 2.356 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)[C@@H]1CCCOC1 ZINC000476503110 561120952 /nfs/dbraw/zinc/12/09/52/561120952.db2.gz GISDHINDOGZNHS-CABCVRRESA-N -1 1 361.504 2.235 20 0 FEADMM CCCOc1ccc(CC(=O)NC2(c3nn[n-]n3)CC2)cc1OCCC ZINC000477017552 561134321 /nfs/dbraw/zinc/13/43/21/561134321.db2.gz GQLOZMLAJBYHRZ-UHFFFAOYSA-N -1 1 359.430 2.125 20 0 FEADMM CCc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000477047759 561135167 /nfs/dbraw/zinc/13/51/67/561135167.db2.gz ZBCGMAPCVRPCPQ-UHFFFAOYSA-N -1 1 357.805 2.020 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000529989262 562393711 /nfs/dbraw/zinc/39/37/11/562393711.db2.gz ZVESWTRJIJAJHK-XPZRHXQJSA-N -1 1 356.426 2.023 20 0 FEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC(F)(F)C[C@@H]1C ZINC000530014423 562394409 /nfs/dbraw/zinc/39/44/09/562394409.db2.gz QWQQCUUMOJIYGJ-JTQLQIEISA-N -1 1 363.368 2.136 20 0 FEADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000530175236 562401460 /nfs/dbraw/zinc/40/14/60/562401460.db2.gz PEHQNCZACBDETE-CHWSQXEVSA-N -1 1 354.472 2.011 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(Cn3ccnc3)c2)sc1C ZINC000530586203 562416913 /nfs/dbraw/zinc/41/69/13/562416913.db2.gz YKQYDQZKNYKTID-UHFFFAOYSA-N -1 1 362.480 2.483 20 0 FEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(CN(C)C)ccn1 ZINC000530660757 562419590 /nfs/dbraw/zinc/41/95/90/562419590.db2.gz BBAQWNRMGMOVFT-UHFFFAOYSA-N -1 1 351.476 2.338 20 0 FEADMM COc1ccc(-c2cncc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2)cc1 ZINC000531821529 562457804 /nfs/dbraw/zinc/45/78/04/562457804.db2.gz ANMNNQBEBDODHW-UHFFFAOYSA-N -1 1 364.409 2.470 20 0 FEADMM Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c(C)c1C(=O)[O-] ZINC000532799798 562489444 /nfs/dbraw/zinc/48/94/44/562489444.db2.gz GDSNMTZQERMXRU-UHFFFAOYSA-N -1 1 372.406 2.383 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c1 ZINC000532800413 562489452 /nfs/dbraw/zinc/48/94/52/562489452.db2.gz TXHLMUDREZTBQM-UHFFFAOYSA-N -1 1 365.407 2.050 20 0 FEADMM Cc1cc(C)c(C(=O)CCCC(=O)N(CCN(C)C)CC(=O)[O-])c(C)c1 ZINC000533187200 562500779 /nfs/dbraw/zinc/50/07/79/562500779.db2.gz FQBWRVFBBPEXBS-UHFFFAOYSA-N -1 1 362.470 2.440 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000533441381 562508674 /nfs/dbraw/zinc/50/86/74/562508674.db2.gz XHVUTUVVJFDRFX-TXEJJXNPSA-N -1 1 367.450 2.349 20 0 FEADMM Cc1cn(-c2ncccc2F)nc1[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000533441380 562508828 /nfs/dbraw/zinc/50/88/28/562508828.db2.gz XHVUTUVVJFDRFX-RYUDHWBXSA-N -1 1 367.450 2.349 20 0 FEADMM O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533572755 562513493 /nfs/dbraw/zinc/51/34/93/562513493.db2.gz WXULESYRWGIUSB-NSHDSACASA-N -1 1 357.805 2.059 20 0 FEADMM CC[C@H](C[C@@H](C)CO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000533975382 562522768 /nfs/dbraw/zinc/52/27/68/562522768.db2.gz SNTYMKZIVNBCMJ-CZUORRHYSA-N -1 1 372.469 2.399 20 0 FEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](C)O1 ZINC000534332742 562532012 /nfs/dbraw/zinc/53/20/12/562532012.db2.gz WNZUWCKKWFABPW-ZSBIGDGJSA-N -1 1 358.460 2.042 20 0 FEADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000535892916 562570449 /nfs/dbraw/zinc/57/04/49/562570449.db2.gz UZZHXYMOZDYLOO-UHFFFAOYSA-N -1 1 365.411 2.097 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000536051564 562572004 /nfs/dbraw/zinc/57/20/04/562572004.db2.gz GUKWYJKMYFXUTF-KOMQPUFPSA-N -1 1 370.453 2.153 20 0 FEADMM Cc1cnc(N)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000536900031 562582313 /nfs/dbraw/zinc/58/23/13/562582313.db2.gz GXMYWTUFIXPENY-UHFFFAOYSA-N -1 1 355.803 2.433 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1-c1cccc(C)c1 ZINC000537125753 562586018 /nfs/dbraw/zinc/58/60/18/562586018.db2.gz DFOKZLKLAHXQRX-CQSZACIVSA-N -1 1 351.414 2.022 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)[C@H]1CCCOC1 ZINC000540975361 562599145 /nfs/dbraw/zinc/59/91/45/562599145.db2.gz VUYASUUFNOMJGR-XJKSGUPXSA-N -1 1 367.423 2.069 20 0 FEADMM O=S(=O)(Cc1cccc2cccnc21)[N-]Cc1nc(C(F)(F)F)no1 ZINC000541213919 562606240 /nfs/dbraw/zinc/60/62/40/562606240.db2.gz VVQLCRAYTORSCG-UHFFFAOYSA-N -1 1 372.328 2.256 20 0 FEADMM CC(C)OCCCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000541226157 562606400 /nfs/dbraw/zinc/60/64/00/562606400.db2.gz XUKPMZBXMGZVDY-UHFFFAOYSA-N -1 1 360.476 2.291 20 0 FEADMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000541840502 562621330 /nfs/dbraw/zinc/62/13/30/562621330.db2.gz CKCWYLVOGFPZBA-UHFFFAOYSA-N -1 1 357.679 2.342 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CN1c1ccccc1 ZINC000545827371 562630854 /nfs/dbraw/zinc/63/08/54/562630854.db2.gz LEFAOJWGXQNBKN-HNNXBMFYSA-N -1 1 368.817 2.314 20 0 FEADMM CC(C)(C)Oc1c(F)cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)cc1F ZINC000546157446 562634401 /nfs/dbraw/zinc/63/44/01/562634401.db2.gz WUZZOKLIXIZMMI-UHFFFAOYSA-N -1 1 363.324 2.125 20 0 FEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC000546170595 562634673 /nfs/dbraw/zinc/63/46/73/562634673.db2.gz ITXBSXTUHQHISZ-UHFFFAOYSA-N -1 1 367.345 2.245 20 0 FEADMM O=C(c1cnc(-c2ccccn2)s1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000549732232 562638772 /nfs/dbraw/zinc/63/87/72/562638772.db2.gz HBMVONQWGLQDBR-JTQLQIEISA-N -1 1 357.395 2.314 20 0 FEADMM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000549956733 562641535 /nfs/dbraw/zinc/64/15/35/562641535.db2.gz HYWIIFLLDPBCFG-UHFFFAOYSA-N -1 1 373.427 2.347 20 0 FEADMM CCOc1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)OC)cc(Cl)c1[O-] ZINC000601727619 567827874 /nfs/dbraw/zinc/82/78/74/567827874.db2.gz QOVQKNFYCJUKOX-APPDUMDISA-N -1 1 371.817 2.237 20 0 FEADMM COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000601765315 567831188 /nfs/dbraw/zinc/83/11/88/567831188.db2.gz LJADEOYCJPJPBH-SFHVURJKSA-N -1 1 353.390 2.352 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccc(F)c2SC)[n-]1 ZINC000603153660 568065320 /nfs/dbraw/zinc/06/53/20/568065320.db2.gz JFXUBCMLOSNYNC-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cccc(F)c2SC)n[n-]1 ZINC000603153660 568065319 /nfs/dbraw/zinc/06/53/19/568065319.db2.gz JFXUBCMLOSNYNC-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccc(F)c2SC)n1 ZINC000603153660 568065321 /nfs/dbraw/zinc/06/53/21/568065321.db2.gz JFXUBCMLOSNYNC-QMMMGPOBSA-N -1 1 352.391 2.333 20 0 FEADMM COC(=O)c1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)C(F)F ZINC000603425217 568096438 /nfs/dbraw/zinc/09/64/38/568096438.db2.gz RXNRGRFJODYEFV-ZCFIWIBFSA-N -1 1 372.187 2.168 20 0 FEADMM Cc1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n[nH]1 ZINC000603487551 568106437 /nfs/dbraw/zinc/10/64/37/568106437.db2.gz XHEAWZRRZBFGCS-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM Cc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[nH]n1 ZINC000603487551 568106438 /nfs/dbraw/zinc/10/64/38/568106438.db2.gz XHEAWZRRZBFGCS-UHFFFAOYSA-N -1 1 370.434 2.449 20 0 FEADMM O=S(=O)(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(F)ccc1F ZINC000603504718 568109445 /nfs/dbraw/zinc/10/94/45/568109445.db2.gz ADNJFCLFAQRWHH-UHFFFAOYSA-N -1 1 368.340 2.368 20 0 FEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CN1c1ccccc1 ZINC000556399154 674400754 /nfs/dbraw/zinc/40/07/54/674400754.db2.gz MPDCQNZTARRZHT-ZDUSSCGKSA-N -1 1 354.790 2.173 20 0 FEADMM C[C@H]1CCN(C(=O)N[C@@H]2CCCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807076730 674403952 /nfs/dbraw/zinc/40/39/52/674403952.db2.gz RBHOXIRMALYMTN-RVMXOQNASA-N -1 1 365.396 2.043 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000737200508 598838785 /nfs/dbraw/zinc/83/87/85/598838785.db2.gz NFKAAFMWMJEVJC-QWRGUYRKSA-N -1 1 372.473 2.458 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736211697 598875327 /nfs/dbraw/zinc/87/53/27/598875327.db2.gz SINMILNZSNYCBU-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM CC1(C)CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736211697 598875328 /nfs/dbraw/zinc/87/53/28/598875328.db2.gz SINMILNZSNYCBU-UHFFFAOYSA-N -1 1 355.851 2.331 20 0 FEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000737301153 598931647 /nfs/dbraw/zinc/93/16/47/598931647.db2.gz JNVXFBLHOYCYAG-UHFFFAOYSA-N -1 1 354.395 2.457 20 0 FEADMM CC(=O)Nc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000735484823 598955167 /nfs/dbraw/zinc/95/51/67/598955167.db2.gz OUYHWCHCMVVZJS-UHFFFAOYSA-N -1 1 360.381 2.380 20 0 FEADMM CC(=O)Nc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000735484823 598955169 /nfs/dbraw/zinc/95/51/69/598955169.db2.gz OUYHWCHCMVVZJS-UHFFFAOYSA-N -1 1 360.381 2.380 20 0 FEADMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037545 598985164 /nfs/dbraw/zinc/98/51/64/598985164.db2.gz XAYRSHUQJKIJTN-GFCCVEGCSA-N -1 1 356.386 2.368 20 0 FEADMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037545 598985166 /nfs/dbraw/zinc/98/51/66/598985166.db2.gz XAYRSHUQJKIJTN-GFCCVEGCSA-N -1 1 356.386 2.368 20 0 FEADMM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737257121 598991506 /nfs/dbraw/zinc/99/15/06/598991506.db2.gz QKOQBQHFWYYFKF-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737257121 598991509 /nfs/dbraw/zinc/99/15/09/598991509.db2.gz QKOQBQHFWYYFKF-UHFFFAOYSA-N -1 1 360.381 2.317 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736604334 598994093 /nfs/dbraw/zinc/99/40/93/598994093.db2.gz WLULBPBFWJVZON-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736604334 598994094 /nfs/dbraw/zinc/99/40/94/598994094.db2.gz WLULBPBFWJVZON-UHFFFAOYSA-N -1 1 358.383 2.061 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735489341 598995355 /nfs/dbraw/zinc/99/53/55/598995355.db2.gz WSJTXWFAPRCKSX-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735489341 598995356 /nfs/dbraw/zinc/99/53/56/598995356.db2.gz WSJTXWFAPRCKSX-UHFFFAOYSA-N -1 1 357.761 2.126 20 0 FEADMM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737998658 598995762 /nfs/dbraw/zinc/99/57/62/598995762.db2.gz OMZOZZTWEXYEPH-JKSUJKDBSA-N -1 1 368.372 2.051 20 0 FEADMM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737998658 598995763 /nfs/dbraw/zinc/99/57/63/598995763.db2.gz OMZOZZTWEXYEPH-JKSUJKDBSA-N -1 1 368.372 2.051 20 0 FEADMM CCc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736702642 599008835 /nfs/dbraw/zinc/00/88/35/599008835.db2.gz SGENLAIAFDEFGB-UHFFFAOYSA-N -1 1 361.402 2.047 20 0 FEADMM CCOC(=O)Nc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736603302 599019520 /nfs/dbraw/zinc/01/95/20/599019520.db2.gz NKHDWKUMKQRELK-UHFFFAOYSA-N -1 1 354.326 2.049 20 0 FEADMM CCOC(=O)Nc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736603302 599019522 /nfs/dbraw/zinc/01/95/22/599019522.db2.gz NKHDWKUMKQRELK-UHFFFAOYSA-N -1 1 354.326 2.049 20 0 FEADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737149127 599028113 /nfs/dbraw/zinc/02/81/13/599028113.db2.gz WLXMBJFWUSXZMY-HNNXBMFYSA-N -1 1 350.382 2.248 20 0 FEADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737149127 599028115 /nfs/dbraw/zinc/02/81/15/599028115.db2.gz WLXMBJFWUSXZMY-HNNXBMFYSA-N -1 1 350.382 2.248 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000556672211 674411599 /nfs/dbraw/zinc/41/15/99/674411599.db2.gz WAUVTATWSBFMRU-OAHLLOKOSA-N -1 1 369.418 2.104 20 0 FEADMM NC(=O)[C@H]([NH2+]Cc1cccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735991 599096669 /nfs/dbraw/zinc/09/66/69/599096669.db2.gz GBYSODJHVKFDMR-GOSISDBHSA-N -1 1 358.405 2.336 20 0 FEADMM OC[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823706872 599106568 /nfs/dbraw/zinc/10/65/68/599106568.db2.gz QLIQEEFCYIFCCA-NSHDSACASA-N -1 1 369.816 2.412 20 0 FEADMM OC[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823706872 599106571 /nfs/dbraw/zinc/10/65/71/599106571.db2.gz QLIQEEFCYIFCCA-NSHDSACASA-N -1 1 369.816 2.412 20 0 FEADMM O=C(O[C@H]1CCCN(c2ccccc2)C1=O)c1sccc1-c1nn[n-]n1 ZINC000738213810 599126321 /nfs/dbraw/zinc/12/63/21/599126321.db2.gz HNPGWJXZLYVGGZ-ZDUSSCGKSA-N -1 1 369.406 2.281 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc2c(c1)CCC2 ZINC000736156937 599133801 /nfs/dbraw/zinc/13/38/01/599133801.db2.gz GIQIOKMNXBOWCP-LLVKDONJSA-N -1 1 363.377 2.179 20 0 FEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc2c(c1)CCC2 ZINC000736156937 599133804 /nfs/dbraw/zinc/13/38/04/599133804.db2.gz GIQIOKMNXBOWCP-LLVKDONJSA-N -1 1 363.377 2.179 20 0 FEADMM O=C(OCc1coc(-c2cccc(F)c2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245179 599144643 /nfs/dbraw/zinc/14/46/43/599144643.db2.gz NPQLFWQISMXJRO-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM O=C(OCc1coc(-c2cccc(F)c2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245179 599144645 /nfs/dbraw/zinc/14/46/45/599144645.db2.gz NPQLFWQISMXJRO-UHFFFAOYSA-N -1 1 366.312 2.413 20 0 FEADMM C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735987365 599151789 /nfs/dbraw/zinc/15/17/89/599151789.db2.gz SQAYETRGSRRKTB-NSHDSACASA-N -1 1 367.365 2.169 20 0 FEADMM C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735987365 599151791 /nfs/dbraw/zinc/15/17/91/599151791.db2.gz SQAYETRGSRRKTB-NSHDSACASA-N -1 1 367.365 2.169 20 0 FEADMM Cc1nc(C)n(C[C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)n1 ZINC000737474075 599204238 /nfs/dbraw/zinc/20/42/38/599204238.db2.gz JVTDROBOZCOXQE-GFCCVEGCSA-N -1 1 373.852 2.040 20 0 FEADMM Cc1nc(C)n(C[C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)n1 ZINC000737474075 599204240 /nfs/dbraw/zinc/20/42/40/599204240.db2.gz JVTDROBOZCOXQE-GFCCVEGCSA-N -1 1 373.852 2.040 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OCC2CCCCC2)CC1 ZINC000738259565 599230329 /nfs/dbraw/zinc/23/03/29/599230329.db2.gz RMHDIGXGADOWFZ-UHFFFAOYSA-N -1 1 370.457 2.463 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OCC2CCCCC2)CC1 ZINC000738259565 599230331 /nfs/dbraw/zinc/23/03/31/599230331.db2.gz RMHDIGXGADOWFZ-UHFFFAOYSA-N -1 1 370.457 2.463 20 0 FEADMM C[C@]1(C2CCCCC2)NC(=O)N(CN2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000818080405 597047487 /nfs/dbraw/zinc/04/74/87/597047487.db2.gz AINOUYXWJHHEPR-SCLBCKFNSA-N -1 1 351.447 2.021 20 0 FEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000581228054 597078109 /nfs/dbraw/zinc/07/81/09/597078109.db2.gz ZQJBGMVCOYMVQF-OLZOCXBDSA-N -1 1 350.415 2.218 20 0 FEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)CSCC(=O)[O-])CC1 ZINC000739458951 597084537 /nfs/dbraw/zinc/08/45/37/597084537.db2.gz YVBKPQUBFQRFHB-UHFFFAOYSA-N -1 1 371.890 2.238 20 0 FEADMM COc1ccc(-c2noc(CN3CCC[C@@H](CC(=O)[O-])C3)n2)c(OC)c1 ZINC000818570691 597104789 /nfs/dbraw/zinc/10/47/89/597104789.db2.gz JLAPQHCILYRMAF-LBPRGKRZSA-N -1 1 361.398 2.441 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000818374929 597117006 /nfs/dbraw/zinc/11/70/06/597117006.db2.gz ULOSGPLULOPUQX-CZUORRHYSA-N -1 1 351.422 2.325 20 0 FEADMM O=C([O-])c1ccc(CNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)cc1 ZINC000819676066 597237561 /nfs/dbraw/zinc/23/75/61/597237561.db2.gz HBTSUGOGTQGPNJ-UHFFFAOYSA-N -1 1 355.375 2.252 20 0 FEADMM CCN(c1ccc(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)cc1)C(C)C ZINC000736564344 599256983 /nfs/dbraw/zinc/25/69/83/599256983.db2.gz DTLJGYUHGWPFFN-UHFFFAOYSA-N -1 1 351.414 2.171 20 0 FEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818385895 597452081 /nfs/dbraw/zinc/45/20/81/597452081.db2.gz XGGVVNJDKHUTNW-UHFFFAOYSA-N -1 1 370.409 2.118 20 0 FEADMM CCCN1CCN(c2ccc(NC(=O)NCC(=O)[O-])cc2Cl)CC1 ZINC000818176299 597491342 /nfs/dbraw/zinc/49/13/42/597491342.db2.gz FZEQGLBBAWZDMJ-UHFFFAOYSA-N -1 1 354.838 2.078 20 0 FEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3CN(C)C4=O)ccc2O1 ZINC000556876218 674425793 /nfs/dbraw/zinc/42/57/93/674425793.db2.gz BHYFHXUYAQHRBD-NSHDSACASA-N -1 1 358.419 2.396 20 0 FEADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822241160 607328181 /nfs/dbraw/zinc/32/81/81/607328181.db2.gz MUOCRTCGIPRHGY-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)c1 ZINC000820849351 598189884 /nfs/dbraw/zinc/18/98/84/598189884.db2.gz BQPJKWNJZPGTTR-MAUKXSAKSA-N -1 1 364.442 2.066 20 0 FEADMM COc1cc2c(cc1OC)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000737054593 598275106 /nfs/dbraw/zinc/27/51/06/598275106.db2.gz ARUHPWSFMIROTB-UHFFFAOYSA-N -1 1 372.816 2.495 20 0 FEADMM COc1cc2c(cc1OC)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000737054593 598275108 /nfs/dbraw/zinc/27/51/08/598275108.db2.gz ARUHPWSFMIROTB-UHFFFAOYSA-N -1 1 372.816 2.495 20 0 FEADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802015 674430256 /nfs/dbraw/zinc/43/02/56/674430256.db2.gz LZDLUIZLWNWREX-WTNWGCMGSA-N -1 1 362.392 2.296 20 0 FEADMM Cc1ccn(Cc2cc(F)ccc2Br)c(=O)c1-c1nn[n-]n1 ZINC000822374221 607349885 /nfs/dbraw/zinc/34/98/85/607349885.db2.gz MQLINXQKBIIFOQ-UHFFFAOYSA-N -1 1 364.178 2.287 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1nccnc1-c1nnn[n-]1 ZINC000737524526 598339534 /nfs/dbraw/zinc/33/95/34/598339534.db2.gz ZSZJYOZKIOHZLV-UHFFFAOYSA-N -1 1 361.413 2.130 20 0 FEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1nccnc1-c1nn[n-]n1 ZINC000737524526 598339536 /nfs/dbraw/zinc/33/95/36/598339536.db2.gz ZSZJYOZKIOHZLV-UHFFFAOYSA-N -1 1 361.413 2.130 20 0 FEADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820219259 607355304 /nfs/dbraw/zinc/35/53/04/607355304.db2.gz DSBNSVUNOTUBGO-ZWNOBZJWSA-N -1 1 355.423 2.392 20 0 FEADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820219259 607355305 /nfs/dbraw/zinc/35/53/05/607355305.db2.gz DSBNSVUNOTUBGO-ZWNOBZJWSA-N -1 1 355.423 2.392 20 0 FEADMM CCc1nn(CC(=O)c2cc(C)ccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705953 598378080 /nfs/dbraw/zinc/37/80/80/598378080.db2.gz QMIXHSAAZXOLLZ-UHFFFAOYSA-N -1 1 366.425 2.048 20 0 FEADMM Cc1ccc(-c2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c(F)c2)cc1 ZINC000737289033 598409663 /nfs/dbraw/zinc/40/96/63/598409663.db2.gz RXCHWSPCQOAHQA-UHFFFAOYSA-N -1 1 363.356 2.448 20 0 FEADMM COc1ccc(COCCOC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737097893 598512531 /nfs/dbraw/zinc/51/25/31/598512531.db2.gz QCIZDEJVQPDNHJ-UHFFFAOYSA-N -1 1 360.395 2.310 20 0 FEADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)n1C1CCCCC1 ZINC000737239841 598555866 /nfs/dbraw/zinc/55/58/66/598555866.db2.gz CCDHPJQVSWZAEX-UHFFFAOYSA-N -1 1 354.418 2.257 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736417472 598578756 /nfs/dbraw/zinc/57/87/56/598578756.db2.gz SSJSTZYHZMAAMN-NSHDSACASA-N -1 1 363.853 2.048 20 0 FEADMM CCCC(=O)NC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736417472 598578758 /nfs/dbraw/zinc/57/87/58/598578758.db2.gz SSJSTZYHZMAAMN-NSHDSACASA-N -1 1 363.853 2.048 20 0 FEADMM Clc1ccc(-c2noc(CCNc3nccnc3-c3nnn[n-]3)n2)cc1 ZINC000737570093 598592755 /nfs/dbraw/zinc/59/27/55/598592755.db2.gz AXBZVEOHXPESHS-UHFFFAOYSA-N -1 1 369.776 2.015 20 0 FEADMM Clc1ccc(-c2noc(CCNc3nccnc3-c3nn[n-]n3)n2)cc1 ZINC000737570093 598592757 /nfs/dbraw/zinc/59/27/57/598592757.db2.gz AXBZVEOHXPESHS-UHFFFAOYSA-N -1 1 369.776 2.015 20 0 FEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1csc(Cc2ccccc2)n1 ZINC000738370505 598676763 /nfs/dbraw/zinc/67/67/63/598676763.db2.gz DWLLVMSGWFAHQL-UHFFFAOYSA-N -1 1 350.407 2.124 20 0 FEADMM CC(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735794922 598692480 /nfs/dbraw/zinc/69/24/80/598692480.db2.gz IJJWCHPFYSYZJG-LLVKDONJSA-N -1 1 353.423 2.205 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000738354679 598694122 /nfs/dbraw/zinc/69/41/22/598694122.db2.gz JNPOUNVCUYDRCA-CYBMUJFWSA-N -1 1 373.413 2.184 20 0 FEADMM C[C@@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295902 598712352 /nfs/dbraw/zinc/71/23/52/598712352.db2.gz BGZAJCLFDAMJIN-QLJPJBMISA-N -1 1 373.413 2.218 20 0 FEADMM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000808126758 674443004 /nfs/dbraw/zinc/44/30/04/674443004.db2.gz GGSFBCDHHDYKLY-UHFFFAOYSA-N -1 1 361.375 2.319 20 0 FEADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820859553 599379700 /nfs/dbraw/zinc/37/97/00/599379700.db2.gz FQWFYQSGXGRZNC-ZMZPIMSZSA-N -1 1 372.429 2.086 20 0 FEADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820859553 599379703 /nfs/dbraw/zinc/37/97/03/599379703.db2.gz FQWFYQSGXGRZNC-ZMZPIMSZSA-N -1 1 372.429 2.086 20 0 FEADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000738413326 599398902 /nfs/dbraw/zinc/39/89/02/599398902.db2.gz TYTIPMCGVVZQGN-CQSZACIVSA-N -1 1 350.382 2.374 20 0 FEADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000738413326 599398906 /nfs/dbraw/zinc/39/89/06/599398906.db2.gz TYTIPMCGVVZQGN-CQSZACIVSA-N -1 1 350.382 2.374 20 0 FEADMM c1ccc(-c2n[nH]c(C3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)n2)cc1 ZINC000738422650 599426350 /nfs/dbraw/zinc/42/63/50/599426350.db2.gz KETALTWHKWNGHO-UHFFFAOYSA-N -1 1 373.424 2.431 20 0 FEADMM COC(=O)CCCOc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736913872 599439179 /nfs/dbraw/zinc/43/91/79/599439179.db2.gz ZBVYINILGWKLBX-UHFFFAOYSA-N -1 1 368.397 2.206 20 0 FEADMM COC(=O)CCCOc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736913872 599439181 /nfs/dbraw/zinc/43/91/81/599439181.db2.gz ZBVYINILGWKLBX-UHFFFAOYSA-N -1 1 368.397 2.206 20 0 FEADMM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]c2cccc3nonc32)o1 ZINC000808799131 674472896 /nfs/dbraw/zinc/47/28/96/674472896.db2.gz IOJWVUUHCWZIQD-UHFFFAOYSA-N -1 1 364.383 2.145 20 0 FEADMM CC(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820067858 599682897 /nfs/dbraw/zinc/68/28/97/599682897.db2.gz MTTNIAQOLQXGPV-NSHDSACASA-N -1 1 353.423 2.063 20 0 FEADMM CCCC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000583569750 599705761 /nfs/dbraw/zinc/70/57/61/599705761.db2.gz MBFVQRCHJLBZKN-INIZCTEOSA-N -1 1 368.499 2.253 20 0 FEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736776217 599780120 /nfs/dbraw/zinc/78/01/20/599780120.db2.gz USLUVLIZYHDAJS-RYUDHWBXSA-N -1 1 358.435 2.065 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000738520057 599826321 /nfs/dbraw/zinc/82/63/21/599826321.db2.gz UPNBQSGFDCQKPE-LLVKDONJSA-N -1 1 366.377 2.327 20 0 FEADMM CCOC(=O)c1ccc(N2CCCN(Cc3cc(C(=O)[O-])co3)CC2)nc1 ZINC000737155862 599850812 /nfs/dbraw/zinc/85/08/12/599850812.db2.gz XYUQOAUTCBVVJZ-UHFFFAOYSA-N -1 1 373.409 2.262 20 0 FEADMM COc1ccccc1CC1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000566357782 599853012 /nfs/dbraw/zinc/85/30/12/599853012.db2.gz MBPJJFNTHLBZES-UHFFFAOYSA-N -1 1 374.481 2.273 20 0 FEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738872158 599983127 /nfs/dbraw/zinc/98/31/27/599983127.db2.gz CDXWYMHRMDWPPX-UHFFFAOYSA-N -1 1 358.329 2.070 20 0 FEADMM C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736541347 600098848 /nfs/dbraw/zinc/09/88/48/600098848.db2.gz SQCZOMCUHQYSLV-LLVKDONJSA-N -1 1 365.411 2.118 20 0 FEADMM O=C([O-])C1CCN(C(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000738545465 600143051 /nfs/dbraw/zinc/14/30/51/600143051.db2.gz UCCZYCATHNKEOC-UHFFFAOYSA-N -1 1 370.453 2.066 20 0 FEADMM CCOCCN1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C[C@H]1CC ZINC000737176448 600257882 /nfs/dbraw/zinc/25/78/82/600257882.db2.gz MJHWLWMACCVTLO-GOSISDBHSA-N -1 1 362.470 2.277 20 0 FEADMM O=C([O-])c1cccc(NC(=O)CSc2nc(-c3ccccn3)n[nH]2)c1 ZINC000739337590 600274846 /nfs/dbraw/zinc/27/48/46/600274846.db2.gz LOSSYTHSSHAYLU-UHFFFAOYSA-N -1 1 355.379 2.296 20 0 FEADMM COC(=O)[C@@H]1CC12CCN([C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC000737578508 600290768 /nfs/dbraw/zinc/29/07/68/600290768.db2.gz DUYWJZJBUSGPFC-HIFRSBDPSA-N -1 1 374.437 2.295 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000738026614 600293118 /nfs/dbraw/zinc/29/31/18/600293118.db2.gz OHULIQBUFPQZHZ-GXTWGEPZSA-N -1 1 362.426 2.218 20 0 FEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCc1ccc(OC(F)F)cc1)CC2 ZINC000739278529 600302066 /nfs/dbraw/zinc/30/20/66/600302066.db2.gz ONPIQSDOUQRDCV-CQSZACIVSA-N -1 1 368.380 2.091 20 0 FEADMM CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C ZINC000737146530 600303296 /nfs/dbraw/zinc/30/32/96/600303296.db2.gz MRBHDNBWXBDIOB-CYBMUJFWSA-N -1 1 362.426 2.178 20 0 FEADMM COc1ccc(Cl)cc1CNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738013907 600309214 /nfs/dbraw/zinc/30/92/14/600309214.db2.gz PBMHTERQFXPVIU-AWEZNQCLSA-N -1 1 366.845 2.152 20 0 FEADMM Cc1ccc(OCC(=O)N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000738638285 600402734 /nfs/dbraw/zinc/40/27/34/600402734.db2.gz IYEQVTUDVYVCII-FQEVSTJZSA-N -1 1 368.433 2.344 20 0 FEADMM CCO[C@H]1CCCN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000737166341 600434911 /nfs/dbraw/zinc/43/49/11/600434911.db2.gz XHZHKXURXSYOFT-MAUKXSAKSA-N -1 1 373.453 2.222 20 0 FEADMM O=C([O-])c1cc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)ccc1F ZINC000739248982 600490218 /nfs/dbraw/zinc/49/02/18/600490218.db2.gz OVRHICLERBBLNL-UHFFFAOYSA-N -1 1 370.340 2.159 20 0 FEADMM CC(C)N(C)CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000736454141 600497474 /nfs/dbraw/zinc/49/74/74/600497474.db2.gz FLUFGYUXILPXDO-MRXNPFEDSA-N -1 1 361.442 2.045 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c2cccnc12 ZINC000738069572 600514538 /nfs/dbraw/zinc/51/45/38/600514538.db2.gz LSSQSLIRLKLLIN-UHFFFAOYSA-N -1 1 359.363 2.137 20 0 FEADMM CN(C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC000737324320 600515394 /nfs/dbraw/zinc/51/53/94/600515394.db2.gz OGGYGIOEUJRDPC-HKUYNNGSSA-N -1 1 374.481 2.478 20 0 FEADMM CN(C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC000737324323 600515691 /nfs/dbraw/zinc/51/56/91/600515691.db2.gz OGGYGIOEUJRDPC-PKOBYXMFSA-N -1 1 374.481 2.478 20 0 FEADMM O=C([O-])CCN(CC(=O)NC1(c2ccccc2)CCC1)C[C@@H]1CCCO1 ZINC000739718751 600516186 /nfs/dbraw/zinc/51/61/86/600516186.db2.gz LSKHTOFYCMVWFJ-KRWDZBQOSA-N -1 1 360.454 2.138 20 0 FEADMM O=C([O-])c1cccc(NC(=O)COC(=O)c2c(F)cc(O)cc2F)c1 ZINC000739314033 600581083 /nfs/dbraw/zinc/58/10/83/600581083.db2.gz AELRQCPDNRYSJZ-UHFFFAOYSA-N -1 1 351.261 2.164 20 0 FEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000736749388 600608908 /nfs/dbraw/zinc/60/89/08/600608908.db2.gz JSMNYTWMKJWWMF-UGSOOPFHSA-N -1 1 353.463 2.266 20 0 FEADMM C[C@@H](C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])N(C)Cc1ccccc1 ZINC000736209227 600667865 /nfs/dbraw/zinc/66/78/65/600667865.db2.gz QVTKDSGYKJFRJI-YJBOKZPZSA-N -1 1 370.449 2.272 20 0 FEADMM CN(CCOc1ccc(S(C)(=O)=O)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737449554 600672434 /nfs/dbraw/zinc/67/24/34/600672434.db2.gz RWFICXRHFSARIS-QGZVFWFLSA-N -1 1 363.435 2.227 20 0 FEADMM CCCCOc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000829422152 600676939 /nfs/dbraw/zinc/67/69/39/600676939.db2.gz PUURCWVKWRCTIQ-UHFFFAOYSA-N -1 1 367.427 2.256 20 0 FEADMM CCn1ncc2c1CCC[C@@H]2N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830451167 600693915 /nfs/dbraw/zinc/69/39/15/600693915.db2.gz IGVBNCOAUZYAPI-UONOGXRCSA-N -1 1 374.466 2.435 20 0 FEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000630556340 600811954 /nfs/dbraw/zinc/81/19/54/600811954.db2.gz WEULLTJWIRUCLA-HNNXBMFYSA-N -1 1 360.458 2.157 20 0 FEADMM CC(C)OCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000620230751 600813078 /nfs/dbraw/zinc/81/30/78/600813078.db2.gz CNVJSIUCIXRHTI-UHFFFAOYSA-N -1 1 352.412 2.449 20 0 FEADMM Cc1cc(C[C@H](C)Nc2nccnc2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC000822199742 607470013 /nfs/dbraw/zinc/47/00/13/607470013.db2.gz GHLLDDLFRHMDIL-LBPRGKRZSA-N -1 1 361.413 2.194 20 0 FEADMM Cc1cc(C[C@H](C)Nc2nccnc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC000822199742 607470014 /nfs/dbraw/zinc/47/00/14/607470014.db2.gz GHLLDDLFRHMDIL-LBPRGKRZSA-N -1 1 361.413 2.194 20 0 FEADMM Cc1oc(NC(=O)CN2c3ccccc3OC[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000826341830 607470259 /nfs/dbraw/zinc/47/02/59/607470259.db2.gz REWAHNODVVBUKA-JTQLQIEISA-N -1 1 368.397 2.303 20 0 FEADMM CN1CCN(Cc2cccc(C(=O)N[C@@H](C(=O)[O-])c3cccs3)c2)CC1 ZINC000830954715 600915903 /nfs/dbraw/zinc/91/59/03/600915903.db2.gz GRWVGVNVVKCIKF-QGZVFWFLSA-N -1 1 373.478 2.051 20 0 FEADMM Cc1nnc(SCC(=O)Nc2cccc(CSCC(=O)[O-])c2)[nH]1 ZINC000832990483 600931454 /nfs/dbraw/zinc/93/14/54/600931454.db2.gz COCXWBTXTZHNKK-UHFFFAOYSA-N -1 1 352.441 2.162 20 0 FEADMM Cc1n[nH]c(SCC(=O)Nc2cccc(CSCC(=O)[O-])c2)n1 ZINC000832990483 600931456 /nfs/dbraw/zinc/93/14/56/600931456.db2.gz COCXWBTXTZHNKK-UHFFFAOYSA-N -1 1 352.441 2.162 20 0 FEADMM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000833232647 600955377 /nfs/dbraw/zinc/95/53/77/600955377.db2.gz FJKAMCNBAOUFCB-SFHVURJKSA-N -1 1 369.421 2.343 20 0 FEADMM O=C([O-])c1c(NC(=O)CN2CCC[C@H]2CCCO)sc2c1CCC2 ZINC000738465801 600955771 /nfs/dbraw/zinc/95/57/71/600955771.db2.gz MGCJNVJLTQJOAR-NSHDSACASA-N -1 1 352.456 2.110 20 0 FEADMM O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000833221556 600966343 /nfs/dbraw/zinc/96/63/43/600966343.db2.gz HZBBPVCLGMCEFL-MRXNPFEDSA-N -1 1 357.435 2.279 20 0 FEADMM CCOc1ccc2nc(NC(=O)CN[C@](C)(C(=O)[O-])C3CC3)sc2c1 ZINC000830094701 601031702 /nfs/dbraw/zinc/03/17/02/601031702.db2.gz YFBPBDWBLLGGOV-KRWDZBQOSA-N -1 1 363.439 2.476 20 0 FEADMM CC(C)[C@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCS1 ZINC000581017187 601037706 /nfs/dbraw/zinc/03/77/06/601037706.db2.gz NPEGRTDDIAUWSR-XJKSGUPXSA-N -1 1 350.484 2.463 20 0 FEADMM C[C@H](NC(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1ccc(Br)cc1 ZINC000827637049 601037713 /nfs/dbraw/zinc/03/77/13/601037713.db2.gz QNETUZRJCMBLJX-QFYYESIMSA-N -1 1 369.259 2.469 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000630223051 601084022 /nfs/dbraw/zinc/08/40/22/601084022.db2.gz IFDTZZHONOHIHY-LSDHHAIUSA-N -1 1 350.434 2.402 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 ZINC000630221864 601085988 /nfs/dbraw/zinc/08/59/88/601085988.db2.gz DDOOVUSQCPLNEV-OLZOCXBDSA-N -1 1 354.834 2.115 20 0 FEADMM C[C@H](CCc1ccccc1F)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222507 601090709 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0 FEADMM CCC(=O)Nc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000828570811 601129479 /nfs/dbraw/zinc/12/94/79/601129479.db2.gz YNHKCYPYVKTBLI-ZDUSSCGKSA-N -1 1 362.430 2.048 20 0 FEADMM CCOc1ccc(OC)cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830088957 601132794 /nfs/dbraw/zinc/13/27/94/601132794.db2.gz QHYSSGWNOVNGSV-ZDUSSCGKSA-N -1 1 365.430 2.107 20 0 FEADMM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000830669747 601170766 /nfs/dbraw/zinc/17/07/66/601170766.db2.gz NLCNOZAZKMFSRC-GOSISDBHSA-N -1 1 373.497 2.491 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)N1CCCC[C@H]1C ZINC000737748596 601218045 /nfs/dbraw/zinc/21/80/45/601218045.db2.gz AXZOWVVXARYWKG-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737745751 601239381 /nfs/dbraw/zinc/23/93/81/601239381.db2.gz PXJIOBJJDDZHSJ-VXGBXAGGSA-N -1 1 358.435 2.065 20 0 FEADMM O=C([O-])c1sc(NC[C@H](O)CN2CCc3ccccc3C2)nc1Cl ZINC000833346200 601249021 /nfs/dbraw/zinc/24/90/21/601249021.db2.gz JUOPFOZQEQDKKS-LBPRGKRZSA-N -1 1 367.858 2.326 20 0 FEADMM CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000321498678 601264168 /nfs/dbraw/zinc/26/41/68/601264168.db2.gz ZRKYAAAHVVIZDJ-GFCCVEGCSA-N -1 1 360.863 2.143 20 0 FEADMM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323647321 601264426 /nfs/dbraw/zinc/26/44/26/601264426.db2.gz VHAOKVOBVRTAHO-LBPRGKRZSA-N -1 1 360.863 2.143 20 0 FEADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@@H]1c1ccccn1 ZINC000831916748 601360755 /nfs/dbraw/zinc/36/07/55/601360755.db2.gz BMCBUZGTXSQKQR-NVXWUHKLSA-N -1 1 372.421 2.365 20 0 FEADMM CCO[C@H](C)c1nc(CN(C)Cc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000825576532 607504971 /nfs/dbraw/zinc/50/49/71/607504971.db2.gz JIBUCCXZVKSRQN-LLVKDONJSA-N -1 1 359.459 2.448 20 0 FEADMM CCO[C@H](C)c1nc(CN(C)Cc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000825576532 607504973 /nfs/dbraw/zinc/50/49/73/607504973.db2.gz JIBUCCXZVKSRQN-LLVKDONJSA-N -1 1 359.459 2.448 20 0 FEADMM COC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000831585262 601490701 /nfs/dbraw/zinc/49/07/01/601490701.db2.gz LEQFRIMHAJBFGX-KRWDZBQOSA-N -1 1 366.439 2.494 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000833012064 601523655 /nfs/dbraw/zinc/52/36/55/601523655.db2.gz XRQPMLWOGAOKKY-MLGOLLRUSA-N -1 1 356.426 2.080 20 0 FEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000833012041 601550994 /nfs/dbraw/zinc/55/09/94/601550994.db2.gz XKTHNMUSOFGELU-IBGZPJMESA-N -1 1 374.416 2.316 20 0 FEADMM O=C([O-])[C@H]1CCCCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000158384444 601577402 /nfs/dbraw/zinc/57/74/02/601577402.db2.gz FXEPPWQMZFTXAF-GFCCVEGCSA-N -1 1 370.331 2.459 20 0 FEADMM Cc1nc(C2(NCc3ccnc(-c4nn[n-]n4)c3)CCCCCC2)no1 ZINC000826324649 607517910 /nfs/dbraw/zinc/51/79/10/607517910.db2.gz ZPQAXNCZJMZKKS-UHFFFAOYSA-N -1 1 354.418 2.292 20 0 FEADMM CCCCc1ccc(N2C(=O)C[C@H](N3C[C@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000829430541 601635672 /nfs/dbraw/zinc/63/56/72/601635672.db2.gz AUPZVSZUQCVCMS-XKQJLSEDSA-N -1 1 358.438 2.314 20 0 FEADMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1C(=O)[O-] ZINC000828413411 601717499 /nfs/dbraw/zinc/71/74/99/601717499.db2.gz RDVFLTQLYFCLFG-XCBNKYQSSA-N -1 1 352.188 2.118 20 0 FEADMM Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000833053529 601785451 /nfs/dbraw/zinc/78/54/51/601785451.db2.gz WZDXKQWICSWRKK-UHFFFAOYSA-N -1 1 359.201 2.287 20 0 FEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000830604803 601799985 /nfs/dbraw/zinc/79/99/85/601799985.db2.gz VKOLOOWLQYJBKT-UHFFFAOYSA-N -1 1 368.499 2.411 20 0 FEADMM C[C@@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000828020585 601849792 /nfs/dbraw/zinc/84/97/92/601849792.db2.gz TZNGEHZSXQWKRZ-BLLLJJGKSA-N -1 1 370.327 2.134 20 0 FEADMM Cc1ccc(N2C(=O)C[C@@H](N3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1Cl ZINC000832936065 601850863 /nfs/dbraw/zinc/85/08/63/601850863.db2.gz WCVBMSSVSFYTJJ-CXAGYDPISA-N -1 1 350.802 2.077 20 0 FEADMM O=[S@](Cc1cccc(OC(F)F)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826495824 607530512 /nfs/dbraw/zinc/53/05/12/607530512.db2.gz CUVRPOHLZAAPCB-RUZDIDTESA-N -1 1 365.365 2.312 20 0 FEADMM O=[S@](Cc1cccc(OC(F)F)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826495824 607530513 /nfs/dbraw/zinc/53/05/13/607530513.db2.gz CUVRPOHLZAAPCB-RUZDIDTESA-N -1 1 365.365 2.312 20 0 FEADMM CC[C@H](NC(=O)[O-])C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000739530947 601876812 /nfs/dbraw/zinc/87/68/12/601876812.db2.gz PTTFCAPUYNLLES-JKSUJKDBSA-N -1 1 363.458 2.385 20 0 FEADMM C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000827465782 601920587 /nfs/dbraw/zinc/92/05/87/601920587.db2.gz DIJZHYGTQRJHPZ-IIAWOOMASA-N -1 1 350.484 2.187 20 0 FEADMM COc1cc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c(OC)cc1Cl ZINC000832017559 601952013 /nfs/dbraw/zinc/95/20/13/601952013.db2.gz WFLFIXBNOAPHIY-INIZCTEOSA-N -1 1 356.806 2.092 20 0 FEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398179101 601989089 /nfs/dbraw/zinc/98/90/89/601989089.db2.gz HCBHFKPXQFJCMD-RHSMWYFYSA-N -1 1 374.462 2.326 20 0 FEADMM Cc1ccc([C@H](CNC(=O)NCC[C@H](C)NC(=O)[O-])N2CCCC2)o1 ZINC000740118568 602021008 /nfs/dbraw/zinc/02/10/08/602021008.db2.gz RBBJMJUMSJKNRJ-JSGCOSHPSA-N -1 1 352.435 2.070 20 0 FEADMM CN(C)[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000739604832 602060646 /nfs/dbraw/zinc/06/06/46/602060646.db2.gz ASVYNPXLUWRSBU-CZUORRHYSA-N -1 1 366.437 2.118 20 0 FEADMM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826225249 607552218 /nfs/dbraw/zinc/55/22/18/607552218.db2.gz WYJIULYTSFFUTE-XMMPIXPASA-N -1 1 362.846 2.406 20 0 FEADMM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826225249 607552219 /nfs/dbraw/zinc/55/22/19/607552219.db2.gz WYJIULYTSFFUTE-XMMPIXPASA-N -1 1 362.846 2.406 20 0 FEADMM Cc1ccc(N2CCOC2=O)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826290604 607552248 /nfs/dbraw/zinc/55/22/48/607552248.db2.gz RVDIPWXQBKXGSF-UHFFFAOYSA-N -1 1 351.370 2.139 20 0 FEADMM Cc1ccc(N2CCOC2=O)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826290604 607552249 /nfs/dbraw/zinc/55/22/49/607552249.db2.gz RVDIPWXQBKXGSF-UHFFFAOYSA-N -1 1 351.370 2.139 20 0 FEADMM O=C([O-])NCCOc1cccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000740667809 602280504 /nfs/dbraw/zinc/28/05/04/602280504.db2.gz NKTMAMLRKHXGIR-UHFFFAOYSA-N -1 1 367.361 2.427 20 0 FEADMM CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000382275820 602327686 /nfs/dbraw/zinc/32/76/86/602327686.db2.gz FZMXQSIXPPEPPA-QGZVFWFLSA-N -1 1 374.462 2.280 20 0 FEADMM C[C@@H](C(=O)NCCc1cccs1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738631944 602408327 /nfs/dbraw/zinc/40/83/27/602408327.db2.gz XETVIIPNCFTLHC-ZDUSSCGKSA-N -1 1 353.488 2.117 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000738959479 602449582 /nfs/dbraw/zinc/44/95/82/602449582.db2.gz CMQBXMORMRPATK-QWHCGFSZSA-N -1 1 351.422 2.371 20 0 FEADMM CN(C[C@@H]1CCN(C(=O)c2cccc(Br)c2O)C1)C(=O)[O-] ZINC000739655795 602458640 /nfs/dbraw/zinc/45/86/40/602458640.db2.gz FXSBPHHWBVOZLL-VIFPVBQESA-N -1 1 357.204 2.227 20 0 FEADMM COc1ccc(CN(C)C(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739910340 602464872 /nfs/dbraw/zinc/46/48/72/602464872.db2.gz UYQNQUVSNCZHII-CQSZACIVSA-N -1 1 363.458 2.022 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)c2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739182535 602495272 /nfs/dbraw/zinc/49/52/72/602495272.db2.gz OTWRYCLPHHSQAN-TXEJJXNPSA-N -1 1 353.394 2.145 20 0 FEADMM CCCN(Cn1ncc2cc(C(=O)OC)ccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739363953 602526146 /nfs/dbraw/zinc/52/61/46/602526146.db2.gz OEADXONQRCDGCE-HNNXBMFYSA-N -1 1 360.414 2.245 20 0 FEADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739956983 602532386 /nfs/dbraw/zinc/53/23/86/602532386.db2.gz HYUANYXDWKCELO-SOUVJXGZSA-N -1 1 363.458 2.193 20 0 FEADMM CN(C(=O)[O-])C1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000737927342 602540471 /nfs/dbraw/zinc/54/04/71/602540471.db2.gz AGADMRGSCUJDMX-OAHLLOKOSA-N -1 1 364.446 2.200 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493649 607572473 /nfs/dbraw/zinc/57/24/73/607572473.db2.gz WAODWTGBPAUIOQ-UHFFFAOYSA-N -1 1 354.750 2.427 20 0 FEADMM CCCN(CC(=O)N[C@H]1CCOc2ccccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354780 602545803 /nfs/dbraw/zinc/54/58/03/602545803.db2.gz SFRJAMSRGNQNRK-HOCLYGCPSA-N -1 1 361.442 2.091 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739653034 602620696 /nfs/dbraw/zinc/62/06/96/602620696.db2.gz YUMFELKVFHJNSD-CZUORRHYSA-N -1 1 366.437 2.070 20 0 FEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000739000080 602697475 /nfs/dbraw/zinc/69/74/75/602697475.db2.gz ABXVKIVQNIUWMX-SWLSCSKDSA-N -1 1 368.503 2.429 20 0 FEADMM CC(C)CCN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824249804 607583332 /nfs/dbraw/zinc/58/33/32/607583332.db2.gz VAFNALRMNHQPEF-UHFFFAOYSA-N -1 1 353.423 2.205 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)NC(=O)[O-] ZINC000738789112 602792550 /nfs/dbraw/zinc/79/25/50/602792550.db2.gz RISMFHMPKGOOMS-UONOGXRCSA-N -1 1 352.435 2.008 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)NC[C@H](NC(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000740117217 602802055 /nfs/dbraw/zinc/80/20/55/602802055.db2.gz IKVUPQRKCVXROS-LSDHHAIUSA-N -1 1 366.462 2.316 20 0 FEADMM CC(C)[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)NC(=O)[O-] ZINC000738782496 602826662 /nfs/dbraw/zinc/82/66/62/602826662.db2.gz AJWSQKCFHMESTE-LSDHHAIUSA-N -1 1 354.426 2.020 20 0 FEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739132050 602836549 /nfs/dbraw/zinc/83/65/49/602836549.db2.gz DXMWQMKLZKMLJA-UHOFOFEASA-N -1 1 366.437 2.116 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c(O)c1 ZINC000740697865 602857957 /nfs/dbraw/zinc/85/79/57/602857957.db2.gz JHODOKZTIGDGOA-UHFFFAOYSA-N -1 1 353.338 2.197 20 0 FEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCCN1Cc1ccccc1)C2 ZINC000740393702 602999677 /nfs/dbraw/zinc/99/96/77/602999677.db2.gz ZLICFQGTGMZSAY-FBVQUNGASA-N -1 1 357.454 2.441 20 0 FEADMM CN(C[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000828200723 603009186 /nfs/dbraw/zinc/00/91/86/603009186.db2.gz YUCXLICMDQTYAG-HUUCEWRRSA-N -1 1 364.446 2.200 20 0 FEADMM CCCc1nnc([C@@H]2CN(C(=O)c3ccc(C)c(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000826955046 603079835 /nfs/dbraw/zinc/07/98/35/603079835.db2.gz YAQMGKSJNCEBNH-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(C)c(NC(=O)[O-])c3)CCO2)n1 ZINC000826955046 603079839 /nfs/dbraw/zinc/07/98/39/603079839.db2.gz YAQMGKSJNCEBNH-AWEZNQCLSA-N -1 1 373.413 2.369 20 0 FEADMM CCCN(CC)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000825307463 607605295 /nfs/dbraw/zinc/60/52/95/607605295.db2.gz ACRJXFXZONHECT-UHFFFAOYSA-N -1 1 367.413 2.250 20 0 FEADMM CCCN(CC)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000825307463 607605297 /nfs/dbraw/zinc/60/52/97/607605297.db2.gz ACRJXFXZONHECT-UHFFFAOYSA-N -1 1 367.413 2.250 20 0 FEADMM O=C([O-])NCCC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000738656735 603132975 /nfs/dbraw/zinc/13/29/75/603132975.db2.gz GWSQOCOXSWJSRD-CYBMUJFWSA-N -1 1 359.348 2.054 20 0 FEADMM CC(C)Oc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000824334544 607611318 /nfs/dbraw/zinc/61/13/18/607611318.db2.gz XISICBQUNHUPHT-UHFFFAOYSA-N -1 1 360.395 2.422 20 0 FEADMM O=S(=O)(N[C@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488826 607620778 /nfs/dbraw/zinc/62/07/78/607620778.db2.gz ZVLHCIAUEUKWCQ-JTQLQIEISA-N -1 1 373.360 2.273 20 0 FEADMM C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CCN1C(=O)[O-] ZINC000739181359 603368999 /nfs/dbraw/zinc/36/89/99/603368999.db2.gz IWOTVXRBMSSBOM-LLVKDONJSA-N -1 1 370.247 2.462 20 0 FEADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000829182253 603408635 /nfs/dbraw/zinc/40/86/35/603408635.db2.gz IVKPOQUGTFLTHM-SECBINFHSA-N -1 1 353.806 2.405 20 0 FEADMM Cc1cc(C)c(CCNC(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000740064306 603412565 /nfs/dbraw/zinc/41/25/65/603412565.db2.gz RAGXEMYCLHQVFK-WMZOPIPTSA-N -1 1 361.486 2.249 20 0 FEADMM C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[C@H]1NC(=O)[O-] ZINC000739179626 603413333 /nfs/dbraw/zinc/41/33/33/603413333.db2.gz MRYRMNMSMHDBGM-LERXQTSPSA-N -1 1 357.248 2.461 20 0 FEADMM CN1CCC[C@H](NC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)C1 ZINC000828481662 603536465 /nfs/dbraw/zinc/53/64/65/603536465.db2.gz RAOLTVMJWVLPQQ-INIZCTEOSA-N -1 1 358.442 2.123 20 0 FEADMM COc1ccccc1N1CC[C@@H](NCc2ccc(NC(=O)[O-])nc2)C1=O ZINC000829638697 603611737 /nfs/dbraw/zinc/61/17/37/603611737.db2.gz SAKBQLUJKREXIK-CYBMUJFWSA-N -1 1 356.382 2.075 20 0 FEADMM C[C@@H](CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])N1CCc2ccccc2C1 ZINC000824930134 603682593 /nfs/dbraw/zinc/68/25/93/603682593.db2.gz IZRVPJLHUHQJBQ-YJBOKZPZSA-N -1 1 374.485 2.217 20 0 FEADMM C[C@H]1CCCN(CC(=O)N2CCc3sccc3C2)[C@H]1CNC(=O)[O-] ZINC000825918609 603708127 /nfs/dbraw/zinc/70/81/27/603708127.db2.gz GNDRCXLHABCUFY-JSGCOSHPSA-N -1 1 351.472 2.001 20 0 FEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000826116834 603784017 /nfs/dbraw/zinc/78/40/17/603784017.db2.gz VTUXMSVPOXMLLX-OQPBUACISA-N -1 1 366.805 2.336 20 0 FEADMM CC(C)[C@H](CCN(C)CC(=O)N[C@@H]1CCOc2ccccc21)NC(=O)[O-] ZINC000824100627 603822925 /nfs/dbraw/zinc/82/29/25/603822925.db2.gz XSGRSFKOYNBGKA-JKSUJKDBSA-N -1 1 363.458 2.241 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000826035392 603830133 /nfs/dbraw/zinc/83/01/33/603830133.db2.gz VRSHTEYBXXPLFG-DYVFJYSZSA-N -1 1 354.410 2.365 20 0 FEADMM CN(C[C@H]1CCCN1C(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC000828218247 603865451 /nfs/dbraw/zinc/86/54/51/603865451.db2.gz IBLZCCOFPVSRRT-QGZVFWFLSA-N -1 1 354.410 2.462 20 0 FEADMM CN(C(=O)c1cccc(Br)c1O)C1CCN(C(=O)[O-])CC1 ZINC000827938644 603944981 /nfs/dbraw/zinc/94/49/81/603944981.db2.gz NTYZGDMYROTDRY-UHFFFAOYSA-N -1 1 357.204 2.369 20 0 FEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H](CNC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827993157 604046402 /nfs/dbraw/zinc/04/64/02/604046402.db2.gz ALERBRIDUQKKGL-DOMZBBRYSA-N -1 1 368.865 2.242 20 0 FEADMM O=C([O-])NCCCOC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000832630247 604117841 /nfs/dbraw/zinc/11/78/41/604117841.db2.gz YPVITWBNEFNAQK-UHFFFAOYSA-N -1 1 356.806 2.325 20 0 FEADMM COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829628016 604175417 /nfs/dbraw/zinc/17/54/17/604175417.db2.gz WRKCIFGFPQFHAL-YCPHGPKFSA-N -1 1 363.458 2.068 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)[O-])[nH]c2c1 ZINC000830433008 604178243 /nfs/dbraw/zinc/17/82/43/604178243.db2.gz OXJHEAFIJPSOPA-OLZOCXBDSA-N -1 1 357.414 2.298 20 0 FEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832846691 604286795 /nfs/dbraw/zinc/28/67/95/604286795.db2.gz MTFDWRUJGIZCSM-UHFFFAOYSA-N -1 1 356.426 2.119 20 0 FEADMM CCN(CC)[C@H](CNC(=O)NC1CN(C(=O)[O-])C1)c1ccccc1Cl ZINC000829666587 604567089 /nfs/dbraw/zinc/56/70/89/604567089.db2.gz MOZCWGROSZIOMJ-OAHLLOKOSA-N -1 1 368.865 2.384 20 0 FEADMM CC(C)Cc1noc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC000833494900 604617650 /nfs/dbraw/zinc/61/76/50/604617650.db2.gz SJRSTBMHKBOMBE-FQEVSTJZSA-N -1 1 372.469 2.477 20 0 FEADMM Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCCCC[C@H]3NC(=O)[O-])C2)n[nH]1 ZINC000830735682 604644035 /nfs/dbraw/zinc/64/40/35/604644035.db2.gz STJZMNSHXNTVBG-QLFBSQMISA-N -1 1 363.462 2.426 20 0 FEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)n[nH]1 ZINC000832907925 604675127 /nfs/dbraw/zinc/67/51/27/604675127.db2.gz BSZLAFBMKWFYOQ-HNNXBMFYSA-N -1 1 359.430 2.116 20 0 FEADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833389984 604678540 /nfs/dbraw/zinc/67/85/40/604678540.db2.gz ZBGVLBFGMHQTGI-OAHLLOKOSA-N -1 1 374.441 2.447 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-])N1CCCC[C@@H]1C ZINC000833614331 604683927 /nfs/dbraw/zinc/68/39/27/604683927.db2.gz GHBPKNIKLGBRPQ-NWDGAFQWSA-N -1 1 358.435 2.065 20 0 FEADMM C[C@H]1C[C@H](NCC(=O)N2CCN(C(=O)[O-])CC2)c2ccsc2S1 ZINC000829821794 604770894 /nfs/dbraw/zinc/77/08/94/604770894.db2.gz XIXKWPDBUGZBMN-JQWIXIFHSA-N -1 1 355.485 2.085 20 0 FEADMM CC(C)[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000833621901 604869801 /nfs/dbraw/zinc/86/98/01/604869801.db2.gz KNWPFBPANMCBAE-BFQNTYOBSA-N -1 1 374.441 2.333 20 0 FEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000652498539 604928428 /nfs/dbraw/zinc/92/84/28/604928428.db2.gz LNGXNFNYCZBHHZ-CQSZACIVSA-N -1 1 369.483 2.292 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000833678965 604930845 /nfs/dbraw/zinc/93/08/45/604930845.db2.gz SWZJMMOSWWDGJP-UHFFFAOYSA-N -1 1 373.409 2.078 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)n[nH]2)cc1 ZINC000829234723 604950088 /nfs/dbraw/zinc/95/00/88/604950088.db2.gz RMFDNLIGRVRDSJ-RISCZKNCSA-N -1 1 358.398 2.204 20 0 FEADMM O=C([O-])NCCc1ccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000832672459 604976948 /nfs/dbraw/zinc/97/69/48/604976948.db2.gz QNTZIFYFTNUDOQ-HNNXBMFYSA-N -1 1 357.414 2.097 20 0 FEADMM C[C@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000828123159 604981255 /nfs/dbraw/zinc/98/12/55/604981255.db2.gz UKZSTMVDLQRFBN-SUMWQHHRSA-N -1 1 365.817 2.004 20 0 FEADMM O=C([O-])C[C@@H]1CCCN1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000833210290 604982326 /nfs/dbraw/zinc/98/23/26/604982326.db2.gz GWTUQFSPPKMYLT-MGPUTAFESA-N -1 1 371.437 2.057 20 0 FEADMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCN1C ZINC000833595783 605002707 /nfs/dbraw/zinc/00/27/07/605002707.db2.gz IAJYQAGRSMNIEA-GHMZBOCLSA-N -1 1 360.863 2.141 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000833622626 605052845 /nfs/dbraw/zinc/05/28/45/605052845.db2.gz DUMJYGYYCRRVIT-CQSZACIVSA-N -1 1 365.449 2.294 20 0 FEADMM CCC(CC)(CNC(=O)Nc1ccccc1N1CCN(C)CC1)C(=O)[O-] ZINC000833641031 605091746 /nfs/dbraw/zinc/09/17/46/605091746.db2.gz ZMKAWOIKZVIXNQ-UHFFFAOYSA-N -1 1 362.474 2.451 20 0 FEADMM Cc1c(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cnn1-c1cccc(C)c1 ZINC000833752075 605097325 /nfs/dbraw/zinc/09/73/25/605097325.db2.gz IXGPDNYWZLFADT-HNNXBMFYSA-N -1 1 370.453 2.110 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000833623703 605109430 /nfs/dbraw/zinc/10/94/30/605109430.db2.gz FTYXGLAMWSWAAB-AWEZNQCLSA-N -1 1 359.401 2.237 20 0 FEADMM O=C([O-])c1ccccc1NC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000821552038 605120898 /nfs/dbraw/zinc/12/08/98/605120898.db2.gz BPRYIMPNBPAHJQ-UHFFFAOYSA-N -1 1 361.442 2.351 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000833622687 605137582 /nfs/dbraw/zinc/13/75/82/605137582.db2.gz FWMMGSSSOCJIJN-AWEZNQCLSA-N -1 1 372.425 2.032 20 0 FEADMM C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])N1CCC[C@@H](C)C1 ZINC000833614634 605171239 /nfs/dbraw/zinc/17/12/39/605171239.db2.gz QSWOLQCZYUJRMX-VXGBXAGGSA-N -1 1 374.890 2.437 20 0 FEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833623544 605173447 /nfs/dbraw/zinc/17/34/47/605173447.db2.gz QUYDAEZMQBZZNS-JKSUJKDBSA-N -1 1 374.485 2.433 20 0 FEADMM CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833687175 605185230 /nfs/dbraw/zinc/18/52/30/605185230.db2.gz JYSZKNYDPAEWGB-UHFFFAOYSA-N -1 1 372.786 2.134 20 0 FEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000831179555 605247246 /nfs/dbraw/zinc/24/72/46/605247246.db2.gz XAHHWDMRMVVJBU-INIZCTEOSA-N -1 1 369.425 2.233 20 0 FEADMM C[C@H]1CN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)CCN1CCC(=O)[O-] ZINC000833618634 605276769 /nfs/dbraw/zinc/27/67/69/605276769.db2.gz PTUQEULOFBGGDP-SZZPACECSA-N -1 1 365.499 2.461 20 0 FEADMM Cn1cc(-c2nc(CN3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@@H]4C3)cs2)cn1 ZINC000833945169 605430546 /nfs/dbraw/zinc/43/05/46/605430546.db2.gz MTBIGSXXFFYUNK-GLQYFDAESA-N -1 1 361.471 2.412 20 0 FEADMM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)c1nnc[nH]1 ZINC000833521490 605485297 /nfs/dbraw/zinc/48/52/97/605485297.db2.gz NSYPNBXESAEZTE-SSDOTTSWSA-N -1 1 373.291 2.327 20 0 FEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000833816224 605485944 /nfs/dbraw/zinc/48/59/44/605485944.db2.gz JZTKDMKCOXQYHW-XQQFMLRXSA-N -1 1 354.476 2.038 20 0 FEADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000831806393 605692105 /nfs/dbraw/zinc/69/21/05/605692105.db2.gz OWENEJXOUISCKM-QGZVFWFLSA-N -1 1 363.377 2.483 20 0 FEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)n[nH]2)cc1 ZINC000829234354 605756867 /nfs/dbraw/zinc/75/68/67/605756867.db2.gz MJPQPTNDTXXJPG-DGCLKSJQSA-N -1 1 358.398 2.346 20 0 FEADMM O=C([O-])N1CC[C@@H](C(=O)OCc2nc3ccc(Br)cc3[nH]2)C1 ZINC000834287059 605782900 /nfs/dbraw/zinc/78/29/00/605782900.db2.gz ZXVUILYBRUXZIM-MRVPVSSYSA-N -1 1 368.187 2.369 20 0 FEADMM Cc1cc(NC(=O)CN[C@H]2CCN(C(=O)[O-])C2)ccc1Br ZINC000830107900 605851495 /nfs/dbraw/zinc/85/14/95/605851495.db2.gz RFGOGEZZCCTXNB-NSHDSACASA-N -1 1 356.220 2.038 20 0 FEADMM O=C([O-])NC[C@H]1CCCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000834216227 605950363 /nfs/dbraw/zinc/95/03/63/605950363.db2.gz PGXYRGAEGABUDT-HUUCEWRRSA-N -1 1 364.446 2.248 20 0 FEADMM O=C([O-])N1CC[C@](F)(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834083103 605971703 /nfs/dbraw/zinc/97/17/03/605971703.db2.gz HBFGGLHNUKJZGT-SCLBCKFNSA-N -1 1 373.388 2.227 20 0 FEADMM CC(C)C[C@H](CNC(=O)[O-])N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000833796051 605983072 /nfs/dbraw/zinc/98/30/72/605983072.db2.gz SLSHWLKKDFLDPX-OCCSQVGLSA-N -1 1 358.435 2.316 20 0 FEADMM C[C@@H]1[C@H](C)N(CCC(=O)N2CCc3sccc3C2)CCN1C(=O)[O-] ZINC000833828936 606043112 /nfs/dbraw/zinc/04/31/12/606043112.db2.gz QGNQDCQQOZCQAS-QWHCGFSZSA-N -1 1 351.472 2.096 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CCCCS3)cc2)n1 ZINC000834247717 606057481 /nfs/dbraw/zinc/05/74/81/606057481.db2.gz UTUGXSCQYJFSQN-LBPRGKRZSA-N -1 1 361.427 2.464 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3CCCCS3)cc2)n[nH]1 ZINC000834247717 606057484 /nfs/dbraw/zinc/05/74/84/606057484.db2.gz UTUGXSCQYJFSQN-LBPRGKRZSA-N -1 1 361.427 2.464 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)o1 ZINC000834247634 606094218 /nfs/dbraw/zinc/09/42/18/606094218.db2.gz ZEBUFWWWYLLWOQ-LLVKDONJSA-N -1 1 359.386 2.063 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821446429 606104632 /nfs/dbraw/zinc/10/46/32/606104632.db2.gz AKNKISVXXJPZQH-ZEVLFVSWSA-N -1 1 360.896 2.468 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821446429 606104633 /nfs/dbraw/zinc/10/46/33/606104633.db2.gz AKNKISVXXJPZQH-ZEVLFVSWSA-N -1 1 360.896 2.468 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820669202 606155124 /nfs/dbraw/zinc/15/51/24/606155124.db2.gz ZRWSJPRKXLGZIG-YPMHNXCESA-N -1 1 352.402 2.010 20 0 FEADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820669202 606155126 /nfs/dbraw/zinc/15/51/26/606155126.db2.gz ZRWSJPRKXLGZIG-YPMHNXCESA-N -1 1 352.402 2.010 20 0 FEADMM CCN(Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821230537 606156596 /nfs/dbraw/zinc/15/65/96/606156596.db2.gz MRNHQDZWFSDFIQ-UHFFFAOYSA-N -1 1 360.809 2.308 20 0 FEADMM CCN(Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821230537 606156597 /nfs/dbraw/zinc/15/65/97/606156597.db2.gz MRNHQDZWFSDFIQ-UHFFFAOYSA-N -1 1 360.809 2.308 20 0 FEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820915180 606160642 /nfs/dbraw/zinc/16/06/42/606160642.db2.gz SSCDFYVOARLFLZ-CYBMUJFWSA-N -1 1 354.418 2.085 20 0 FEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820915180 606160643 /nfs/dbraw/zinc/16/06/43/606160643.db2.gz SSCDFYVOARLFLZ-CYBMUJFWSA-N -1 1 354.418 2.085 20 0 FEADMM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821022755 606169327 /nfs/dbraw/zinc/16/93/27/606169327.db2.gz UJDGMBLOLKDPFQ-ZDUSSCGKSA-N -1 1 354.418 2.133 20 0 FEADMM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821022755 606169329 /nfs/dbraw/zinc/16/93/29/606169329.db2.gz UJDGMBLOLKDPFQ-ZDUSSCGKSA-N -1 1 354.418 2.133 20 0 FEADMM Brc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)o1 ZINC000819689327 606181399 /nfs/dbraw/zinc/18/13/99/606181399.db2.gz ZMFDSUJRLODCAL-UHFFFAOYSA-N -1 1 360.131 2.334 20 0 FEADMM Brc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)o1 ZINC000819689327 606181400 /nfs/dbraw/zinc/18/14/00/606181400.db2.gz ZMFDSUJRLODCAL-UHFFFAOYSA-N -1 1 360.131 2.334 20 0 FEADMM CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820606912 606239909 /nfs/dbraw/zinc/23/99/09/606239909.db2.gz FIYIBLZBKHOYRE-UHFFFAOYSA-N -1 1 373.891 2.036 20 0 FEADMM Cc1nc(C)c(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000822431856 606274113 /nfs/dbraw/zinc/27/41/13/606274113.db2.gz MFTJAUAZRQVPFN-UHFFFAOYSA-N -1 1 373.442 2.229 20 0 FEADMM COc1cccnc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810204815 674536944 /nfs/dbraw/zinc/53/69/44/674536944.db2.gz ZQKFNZBUFVOLQX-SNVBAGLBSA-N -1 1 360.336 2.013 20 0 FEADMM COc1ccccc1C1=NC(=Cc2ccc(-c3nn[n-]n3)s2)C(=O)O1 ZINC000821890255 606392371 /nfs/dbraw/zinc/39/23/71/606392371.db2.gz LBRDCKKGZKBHKA-FLIBITNWSA-N -1 1 353.363 2.281 20 0 FEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)NC(=S)N1C1CCCCC1 ZINC000823503895 606394578 /nfs/dbraw/zinc/39/45/78/606394578.db2.gz KGXRYVZKPBVCII-FLIBITNWSA-N -1 1 360.468 2.319 20 0 FEADMM CN(C)C(=O)Cc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821577861 606454937 /nfs/dbraw/zinc/45/49/37/606454937.db2.gz ABZFPGVTXBFBAH-UHFFFAOYSA-N -1 1 357.805 2.289 20 0 FEADMM CN(C)C(=O)Cc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821577861 606454938 /nfs/dbraw/zinc/45/49/38/606454938.db2.gz ABZFPGVTXBFBAH-UHFFFAOYSA-N -1 1 357.805 2.289 20 0 FEADMM Clc1ccc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)nc1-c1nnn[n-]1 ZINC000822573641 606459600 /nfs/dbraw/zinc/45/96/00/606459600.db2.gz CODMLMKWGPKPLR-BETUJISGSA-N -1 1 367.844 2.488 20 0 FEADMM Clc1ccc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)nc1-c1nn[n-]n1 ZINC000822573641 606459602 /nfs/dbraw/zinc/45/96/02/606459602.db2.gz CODMLMKWGPKPLR-BETUJISGSA-N -1 1 367.844 2.488 20 0 FEADMM Cc1nc(C[C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)no1 ZINC000822435989 606462756 /nfs/dbraw/zinc/46/27/56/606462756.db2.gz DTIMSJXNRSYKKI-SNVBAGLBSA-N -1 1 360.809 2.066 20 0 FEADMM Cc1nc(C[C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)no1 ZINC000822435989 606462757 /nfs/dbraw/zinc/46/27/57/606462757.db2.gz DTIMSJXNRSYKKI-SNVBAGLBSA-N -1 1 360.809 2.066 20 0 FEADMM CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000819899529 606463678 /nfs/dbraw/zinc/46/36/78/606463678.db2.gz WEMYEBVHNZNZBU-JTQLQIEISA-N -1 1 363.853 2.046 20 0 FEADMM CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000819899529 606463680 /nfs/dbraw/zinc/46/36/80/606463680.db2.gz WEMYEBVHNZNZBU-JTQLQIEISA-N -1 1 363.853 2.046 20 0 FEADMM CCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821566592 606508027 /nfs/dbraw/zinc/50/80/27/606508027.db2.gz KWQLXVCGFTWIAA-UHFFFAOYSA-N -1 1 366.410 2.459 20 0 FEADMM CCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821566592 606508029 /nfs/dbraw/zinc/50/80/29/606508029.db2.gz KWQLXVCGFTWIAA-UHFFFAOYSA-N -1 1 366.410 2.459 20 0 FEADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820288661 606531771 /nfs/dbraw/zinc/53/17/71/606531771.db2.gz WOOFUUFQHPHGFP-QMMMGPOBSA-N -1 1 365.365 2.404 20 0 FEADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820288661 606531772 /nfs/dbraw/zinc/53/17/72/606531772.db2.gz WOOFUUFQHPHGFP-QMMMGPOBSA-N -1 1 365.365 2.404 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(COc2ccccc2)cc1 ZINC000823289394 606532903 /nfs/dbraw/zinc/53/29/03/606532903.db2.gz IJCSMADYSQEZGA-UHFFFAOYSA-N -1 1 361.365 2.421 20 0 FEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(COc2ccccc2)cc1 ZINC000823289394 606532904 /nfs/dbraw/zinc/53/29/04/606532904.db2.gz IJCSMADYSQEZGA-UHFFFAOYSA-N -1 1 361.365 2.421 20 0 FEADMM CCNC(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821292836 606536296 /nfs/dbraw/zinc/53/62/96/606536296.db2.gz FCYDRMBWVYPPHC-UHFFFAOYSA-N -1 1 357.399 2.322 20 0 FEADMM CCNC(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821292836 606536298 /nfs/dbraw/zinc/53/62/98/606536298.db2.gz FCYDRMBWVYPPHC-UHFFFAOYSA-N -1 1 357.399 2.322 20 0 FEADMM CO[C@H](C)c1nc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821675897 606555977 /nfs/dbraw/zinc/55/59/77/606555977.db2.gz WDQCYVAUDKHPEA-SSDOTTSWSA-N -1 1 350.429 2.022 20 0 FEADMM CO[C@H](C)c1nc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821675897 606555978 /nfs/dbraw/zinc/55/59/78/606555978.db2.gz WDQCYVAUDKHPEA-SSDOTTSWSA-N -1 1 350.429 2.022 20 0 FEADMM CCOC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821335180 606562926 /nfs/dbraw/zinc/56/29/26/606562926.db2.gz ZTHOODAULCXMHY-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CCOC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821335180 606562928 /nfs/dbraw/zinc/56/29/28/606562928.db2.gz ZTHOODAULCXMHY-UHFFFAOYSA-N -1 1 357.395 2.286 20 0 FEADMM CCc1nc2ccccc2n1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821509529 606569770 /nfs/dbraw/zinc/56/97/70/606569770.db2.gz JEOCPHLSLOHKGD-UHFFFAOYSA-N -1 1 367.438 2.270 20 0 FEADMM CCc1nc2ccccc2n1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821509529 606569771 /nfs/dbraw/zinc/56/97/71/606569771.db2.gz JEOCPHLSLOHKGD-UHFFFAOYSA-N -1 1 367.438 2.270 20 0 FEADMM COc1ccccc1O[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821904537 606576148 /nfs/dbraw/zinc/57/61/48/606576148.db2.gz XCLSMJKBZDZOOV-SNVBAGLBSA-N -1 1 359.411 2.134 20 0 FEADMM COc1ccccc1O[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821904537 606576150 /nfs/dbraw/zinc/57/61/50/606576150.db2.gz XCLSMJKBZDZOOV-SNVBAGLBSA-N -1 1 359.411 2.134 20 0 FEADMM Cc1nn(Cc2ccc(C(F)(F)F)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501146 606604109 /nfs/dbraw/zinc/60/41/09/606604109.db2.gz XYXBSFQGNNWFRI-UHFFFAOYSA-N -1 1 350.304 2.107 20 0 FEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccn1Cc1ccccc1 ZINC000823436376 606651391 /nfs/dbraw/zinc/65/13/91/606651391.db2.gz SFSBDXOZGLZZNM-UHFFFAOYSA-N -1 1 360.377 2.469 20 0 FEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccn1Cc1ccccc1 ZINC000823436376 606651392 /nfs/dbraw/zinc/65/13/92/606651392.db2.gz SFSBDXOZGLZZNM-UHFFFAOYSA-N -1 1 360.377 2.469 20 0 FEADMM CCOC(=O)c1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1C ZINC000821337093 606720626 /nfs/dbraw/zinc/72/06/26/606720626.db2.gz BADVHEZPKUOTMS-UHFFFAOYSA-N -1 1 364.369 2.069 20 0 FEADMM CCOC(=O)c1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1C ZINC000821337093 606720628 /nfs/dbraw/zinc/72/06/28/606720628.db2.gz BADVHEZPKUOTMS-UHFFFAOYSA-N -1 1 364.369 2.069 20 0 FEADMM CN(C)c1ccc(-c2nn[nH]n2)c([N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000821588303 606751115 /nfs/dbraw/zinc/75/11/15/606751115.db2.gz LQVRJRSBAXYBFE-ZHACJKMWSA-N -1 1 370.438 2.345 20 0 FEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820735908 606803516 /nfs/dbraw/zinc/80/35/16/606803516.db2.gz VMMHIFWEXOIKQQ-VXNVDRBHSA-N -1 1 367.866 2.036 20 0 FEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820735908 606803517 /nfs/dbraw/zinc/80/35/17/606803517.db2.gz VMMHIFWEXOIKQQ-VXNVDRBHSA-N -1 1 367.866 2.036 20 0 FEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1c1ccco1 ZINC000823607230 606844804 /nfs/dbraw/zinc/84/48/04/606844804.db2.gz RXTFVCXUSIWDEJ-LBPRGKRZSA-N -1 1 363.374 2.125 20 0 FEADMM O=C(COc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823040503 607024925 /nfs/dbraw/zinc/02/49/25/607024925.db2.gz MBFHAQCBIVZSFH-UHFFFAOYSA-N -1 1 370.316 2.360 20 0 FEADMM O=C(COc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823040503 607024926 /nfs/dbraw/zinc/02/49/26/607024926.db2.gz MBFHAQCBIVZSFH-UHFFFAOYSA-N -1 1 370.316 2.360 20 0 FEADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc2O1 ZINC000820590342 607054652 /nfs/dbraw/zinc/05/46/52/607054652.db2.gz SJUQEWXPXOKZCI-CQSZACIVSA-N -1 1 368.372 2.433 20 0 FEADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc2O1 ZINC000820590342 607054654 /nfs/dbraw/zinc/05/46/54/607054654.db2.gz SJUQEWXPXOKZCI-CQSZACIVSA-N -1 1 368.372 2.433 20 0 FEADMM CCCN(CCC)C(=O)CCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821099799 607109634 /nfs/dbraw/zinc/10/96/34/607109634.db2.gz OEZUINCTMVHJHM-UHFFFAOYSA-N -1 1 365.463 2.081 20 0 FEADMM CCCN(CCC)C(=O)CCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821099799 607109635 /nfs/dbraw/zinc/10/96/35/607109635.db2.gz OEZUINCTMVHJHM-UHFFFAOYSA-N -1 1 365.463 2.081 20 0 FEADMM O=C(Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823299301 607136889 /nfs/dbraw/zinc/13/68/89/607136889.db2.gz QUPSXKBNXSPQHB-UHFFFAOYSA-N -1 1 350.260 2.255 20 0 FEADMM O=C(Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823299301 607136890 /nfs/dbraw/zinc/13/68/90/607136890.db2.gz QUPSXKBNXSPQHB-UHFFFAOYSA-N -1 1 350.260 2.255 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000819818144 607157606 /nfs/dbraw/zinc/15/76/06/607157606.db2.gz RGCQUXXQBCPDBX-UHFFFAOYSA-N -1 1 372.772 2.231 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000819818144 607157607 /nfs/dbraw/zinc/15/76/07/607157607.db2.gz RGCQUXXQBCPDBX-UHFFFAOYSA-N -1 1 372.772 2.231 20 0 FEADMM Clc1nsc(N[C@@H]2CCOC3(CCOCC3)C2)c1-c1nnn[n-]1 ZINC000822590740 607175900 /nfs/dbraw/zinc/17/59/00/607175900.db2.gz OKNHYSUCCUWQMP-MRVPVSSYSA-N -1 1 356.839 2.117 20 0 FEADMM Clc1nsc(N[C@@H]2CCOC3(CCOCC3)C2)c1-c1nn[n-]n1 ZINC000822590740 607175901 /nfs/dbraw/zinc/17/59/01/607175901.db2.gz OKNHYSUCCUWQMP-MRVPVSSYSA-N -1 1 356.839 2.117 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cc(F)c(F)c(F)c1 ZINC000826493686 607868121 /nfs/dbraw/zinc/86/81/21/607868121.db2.gz XJRDXDMJGXIGLH-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cc(F)c(F)c(F)c1 ZINC000826493686 607868122 /nfs/dbraw/zinc/86/81/22/607868122.db2.gz XJRDXDMJGXIGLH-UHFFFAOYSA-N -1 1 374.275 2.191 20 0 FEADMM COc1cccc(CN(C[C@@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826216026 607903349 /nfs/dbraw/zinc/90/33/49/607903349.db2.gz GYDARXLTWBQUMX-INIZCTEOSA-N -1 1 366.425 2.456 20 0 FEADMM COc1cccc(CN(C[C@@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826216026 607903350 /nfs/dbraw/zinc/90/33/50/607903350.db2.gz GYDARXLTWBQUMX-INIZCTEOSA-N -1 1 366.425 2.456 20 0 FEADMM Brc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000823826691 607989536 /nfs/dbraw/zinc/98/95/36/607989536.db2.gz MZHFBFNZXRBWJV-UHFFFAOYSA-N -1 1 352.221 2.135 20 0 FEADMM Brc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000823826691 607989535 /nfs/dbraw/zinc/98/95/35/607989535.db2.gz MZHFBFNZXRBWJV-UHFFFAOYSA-N -1 1 352.221 2.135 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000826394842 608026645 /nfs/dbraw/zinc/02/66/45/608026645.db2.gz BBJTYNVSTWRBJW-UHFFFAOYSA-N -1 1 370.804 2.374 20 0 FEADMM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825160193 608062774 /nfs/dbraw/zinc/06/27/74/608062774.db2.gz YDAACACBSJOUTD-QGZVFWFLSA-N -1 1 366.425 2.388 20 0 FEADMM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825160193 608062775 /nfs/dbraw/zinc/06/27/75/608062775.db2.gz YDAACACBSJOUTD-QGZVFWFLSA-N -1 1 366.425 2.388 20 0 FEADMM COc1cc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)ccc1O ZINC000826179422 608076493 /nfs/dbraw/zinc/07/64/93/608076493.db2.gz NSYLGXBMVDTQDP-UHFFFAOYSA-N -1 1 363.381 2.161 20 0 FEADMM COc1cc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)ccc1O ZINC000826179422 608076494 /nfs/dbraw/zinc/07/64/94/608076494.db2.gz NSYLGXBMVDTQDP-UHFFFAOYSA-N -1 1 363.381 2.161 20 0 FEADMM O=C(NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427055 608102995 /nfs/dbraw/zinc/10/29/95/608102995.db2.gz DXNPEOBFMVDTEC-UHFFFAOYSA-N -1 1 356.336 2.349 20 0 FEADMM O=C(NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427055 608102996 /nfs/dbraw/zinc/10/29/96/608102996.db2.gz DXNPEOBFMVDTEC-UHFFFAOYSA-N -1 1 356.336 2.349 20 0 FEADMM Cc1ccnc(Cl)c1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826309384 608154159 /nfs/dbraw/zinc/15/41/59/608154159.db2.gz NMXDNXFUXGMHHC-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM Cc1ccnc(Cl)c1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826309384 608154160 /nfs/dbraw/zinc/15/41/60/608154160.db2.gz NMXDNXFUXGMHHC-UHFFFAOYSA-N -1 1 369.765 2.130 20 0 FEADMM Cc1nncn1-c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826338257 608207297 /nfs/dbraw/zinc/20/72/97/608207297.db2.gz PHTGXNDUMALMER-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM Cc1nncn1-c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826338257 608207298 /nfs/dbraw/zinc/20/72/98/608207298.db2.gz PHTGXNDUMALMER-UHFFFAOYSA-N -1 1 352.383 2.070 20 0 FEADMM CCC[C@@H]1SCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825261259 608236223 /nfs/dbraw/zinc/23/62/23/608236223.db2.gz VLPOGHCSFALPFR-NSHDSACASA-N -1 1 373.891 2.384 20 0 FEADMM CCC[C@@H]1SCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825261259 608236225 /nfs/dbraw/zinc/23/62/25/608236225.db2.gz VLPOGHCSFALPFR-NSHDSACASA-N -1 1 373.891 2.384 20 0 FEADMM COC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(F)c1 ZINC000826150557 608336433 /nfs/dbraw/zinc/33/64/33/608336433.db2.gz HFRYCUGQZLDGFU-NSHDSACASA-N -1 1 365.365 2.324 20 0 FEADMM COC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(F)c1 ZINC000826150557 608336436 /nfs/dbraw/zinc/33/64/36/608336436.db2.gz HFRYCUGQZLDGFU-NSHDSACASA-N -1 1 365.365 2.324 20 0 FEADMM O[C@@H](C[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000826502107 608432202 /nfs/dbraw/zinc/43/22/02/608432202.db2.gz UTEYVGDGAMBMSR-OCCSQVGLSA-N -1 1 355.402 2.122 20 0 FEADMM O[C@@H](C[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000826502107 608432204 /nfs/dbraw/zinc/43/22/04/608432204.db2.gz UTEYVGDGAMBMSR-OCCSQVGLSA-N -1 1 355.402 2.122 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000824266975 608746432 /nfs/dbraw/zinc/74/64/32/608746432.db2.gz VIOHRJRYOVKXGI-LLVKDONJSA-N -1 1 361.406 2.208 20 0 FEADMM CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000824266975 608746433 /nfs/dbraw/zinc/74/64/33/608746433.db2.gz VIOHRJRYOVKXGI-LLVKDONJSA-N -1 1 361.406 2.208 20 0 FEADMM FC(F)Oc1c(Br)cccc1Cn1ccnc1-c1nnn[n-]1 ZINC000826369418 608894401 /nfs/dbraw/zinc/89/44/01/608894401.db2.gz BJRWZGZXJVCHHP-UHFFFAOYSA-N -1 1 371.145 2.475 20 0 FEADMM FC(F)Oc1c(Br)cccc1Cn1ccnc1-c1nn[n-]n1 ZINC000826369418 608894405 /nfs/dbraw/zinc/89/44/05/608894405.db2.gz BJRWZGZXJVCHHP-UHFFFAOYSA-N -1 1 371.145 2.475 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@@H](Nc1nccnc1-c1nnn[n-]1)CCC2 ZINC000826525127 609150805 /nfs/dbraw/zinc/15/08/05/609150805.db2.gz XUYVDLSICYKHAO-ZDUSSCGKSA-N -1 1 351.418 2.458 20 0 FEADMM c1c2c(nn1C1CCCC1)[C@@H](Nc1nccnc1-c1nn[n-]n1)CCC2 ZINC000826525127 609150807 /nfs/dbraw/zinc/15/08/07/609150807.db2.gz XUYVDLSICYKHAO-ZDUSSCGKSA-N -1 1 351.418 2.458 20 0 FEADMM Fc1cccc(-n2ccc(NCc3nnc(C4CC4)o3)n2)c1-c1nn[n-]n1 ZINC000826376508 609279491 /nfs/dbraw/zinc/27/94/91/609279491.db2.gz GWVODYFWOQGZBX-UHFFFAOYSA-N -1 1 367.348 2.064 20 0 FEADMM O=C(C[C@@H]1C=CCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826404233 609288192 /nfs/dbraw/zinc/28/81/92/609288192.db2.gz TXDWWZKFAYQWAO-LLVKDONJSA-N -1 1 353.361 2.486 20 0 FEADMM C[C@@H]1C[C@@H](CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824883502 609319363 /nfs/dbraw/zinc/31/93/63/609319363.db2.gz HTBDATMHDRKDJF-NEPJUHHUSA-N -1 1 357.393 2.419 20 0 FEADMM Cc1ccc(O)c(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826291567 609320160 /nfs/dbraw/zinc/32/01/60/609320160.db2.gz LURQEVIEJKGWOM-UHFFFAOYSA-N -1 1 366.360 2.213 20 0 FEADMM CC(C)CN(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824255561 609355413 /nfs/dbraw/zinc/35/54/13/609355413.db2.gz OCNSBJIFOODYDL-UHFFFAOYSA-N -1 1 358.381 2.311 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824506709 609432506 /nfs/dbraw/zinc/43/25/06/609432506.db2.gz PWWKJAREEJXQED-RYUDHWBXSA-N -1 1 359.434 2.001 20 0 FEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824506709 609432510 /nfs/dbraw/zinc/43/25/10/609432510.db2.gz PWWKJAREEJXQED-RYUDHWBXSA-N -1 1 359.434 2.001 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3ccccc3n2C2CC2)c1-c1nnn[n-]1 ZINC000826349454 609468116 /nfs/dbraw/zinc/46/81/16/609468116.db2.gz IFXJLLRMSHHJBB-UHFFFAOYSA-N -1 1 364.369 2.029 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3ccccc3n2C2CC2)c1-c1nn[n-]n1 ZINC000826349454 609468118 /nfs/dbraw/zinc/46/81/18/609468118.db2.gz IFXJLLRMSHHJBB-UHFFFAOYSA-N -1 1 364.369 2.029 20 0 FEADMM CC(=O)NC1CCC(N(C)c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823989088 609604409 /nfs/dbraw/zinc/60/44/09/609604409.db2.gz MKPDNZZTZCYBAB-UHFFFAOYSA-N -1 1 365.441 2.298 20 0 FEADMM CC(=O)NC1CCC(N(C)c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823989088 609604411 /nfs/dbraw/zinc/60/44/11/609604411.db2.gz MKPDNZZTZCYBAB-UHFFFAOYSA-N -1 1 365.441 2.298 20 0 FEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3c(Cl)cccc3Cl)ccnc1-2 ZINC000559840797 674558026 /nfs/dbraw/zinc/55/80/26/674558026.db2.gz NCLZIFHDNZZLBS-UHFFFAOYSA-N -1 1 357.222 2.449 20 0 FEADMM Cc1ncsc1/C=C\C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810901018 674567500 /nfs/dbraw/zinc/56/75/00/674567500.db2.gz MZGHHRHHUMWKCK-DOGVGXBMSA-N -1 1 361.389 2.382 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2Cc3ccc(F)cc32)C1)C(F)(F)F ZINC000810905227 674567925 /nfs/dbraw/zinc/56/79/25/674567925.db2.gz RIBLMNQQUUEDKI-QMTHXVAHSA-N -1 1 358.335 2.383 20 0 FEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)N(C)C ZINC000810967506 674571328 /nfs/dbraw/zinc/57/13/28/674571328.db2.gz DHOGERPSGYXMLG-HTAVTVPLSA-N -1 1 358.426 2.140 20 0 FEADMM Cc1noc([C@H]([N-]S(=O)(=O)CCc2ccccc2)C2CCOCC2)n1 ZINC000560324227 674577386 /nfs/dbraw/zinc/57/73/86/674577386.db2.gz VNTFAXHVNCZXJH-MRXNPFEDSA-N -1 1 365.455 2.008 20 0 FEADMM CC1(C)CC[C@@](NS(=O)(=O)c2c(F)cc(F)cc2F)(C(=O)[O-])C1 ZINC000560421819 674586515 /nfs/dbraw/zinc/58/65/15/674586515.db2.gz SBVZXSHHCVZRBV-AWEZNQCLSA-N -1 1 351.346 2.416 20 0 FEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2ncc(-c3ccccc3C)o2)n1 ZINC000560441096 674588071 /nfs/dbraw/zinc/58/80/71/674588071.db2.gz RCYPWZVXCDKPBQ-UHFFFAOYSA-N -1 1 361.379 2.134 20 0 FEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@H]2C[C@@]2(CO)C1 ZINC000811331633 674595452 /nfs/dbraw/zinc/59/54/52/674595452.db2.gz QZLAINZEFSIMBZ-ABKXIKBNSA-N -1 1 363.211 2.157 20 0 FEADMM O=C(COC(=O)[C@H](O)c1ccc(Cl)cc1F)[N-]C(=O)c1ccccc1 ZINC000811372544 674598455 /nfs/dbraw/zinc/59/84/55/674598455.db2.gz ZJQQLDGTWMGPBS-OAHLLOKOSA-N -1 1 365.744 2.012 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(=O)[nH]c2)c(F)c(Cl)c1F ZINC000811725872 674623082 /nfs/dbraw/zinc/62/30/82/674623082.db2.gz HSNBJPDRDPMJDK-UHFFFAOYSA-N -1 1 364.713 2.218 20 0 FEADMM Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000811711772 674622261 /nfs/dbraw/zinc/62/22/61/674622261.db2.gz UCSPEQOZTMSIEG-UHFFFAOYSA-N -1 1 363.317 2.246 20 0 FEADMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000813387445 674740613 /nfs/dbraw/zinc/74/06/13/674740613.db2.gz GGROMKREPJFHJC-UHFFFAOYSA-N -1 1 353.407 2.163 20 0 FEADMM C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(N)=O ZINC000562357825 674745441 /nfs/dbraw/zinc/74/54/41/674745441.db2.gz DLQUPBIVEIFZRU-PXAZEXFGSA-N -1 1 358.419 2.369 20 0 FEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)[C@H]1n1cccn1 ZINC000562733891 674797902 /nfs/dbraw/zinc/79/79/02/674797902.db2.gz ZSYPYYAUGKZFJN-IJLUTSLNSA-N -1 1 361.876 2.295 20 0 FEADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)c([O-])c1 ZINC000563685237 674926404 /nfs/dbraw/zinc/92/64/04/674926404.db2.gz SECJULNWJQLRGP-CMPLNLGQSA-N -1 1 353.216 2.038 20 0 FEADMM O=C(Cc1ccccc1O[C@H]1CCOC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000564775618 675060324 /nfs/dbraw/zinc/06/03/24/675060324.db2.gz GFLBVDXZWAFLNZ-JTQLQIEISA-N -1 1 356.304 2.172 20 0 FEADMM Cc1nn(C)c2sc(C(=O)OCC(=O)[N-]C(=O)c3ccccc3)cc12 ZINC000011971110 669999894 /nfs/dbraw/zinc/99/98/94/669999894.db2.gz LQZBAMJESLNIOE-UHFFFAOYSA-N -1 1 357.391 2.057 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C(=O)O1 ZINC000816623742 675069139 /nfs/dbraw/zinc/06/91/39/675069139.db2.gz JBUFGPBEYIMBSK-CABZTGNLSA-N -1 1 350.371 2.173 20 0 FEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000018994515 670028172 /nfs/dbraw/zinc/02/81/72/670028172.db2.gz NNZHEUOCTLDUKY-UHFFFAOYSA-N -1 1 362.432 2.288 20 0 FEADMM CCSc1ccccc1C(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000024871865 670057822 /nfs/dbraw/zinc/05/78/22/670057822.db2.gz TWPYIMLCPYSEBT-UHFFFAOYSA-N -1 1 364.448 2.478 20 0 FEADMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1-n1cnnn1 ZINC000028260978 670089202 /nfs/dbraw/zinc/08/92/02/670089202.db2.gz YPQQELUAZCOQBX-UHFFFAOYSA-N -1 1 351.338 2.050 20 0 FEADMM C[C@H](O)[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)OCc1ccccc1 ZINC000816748296 675077244 /nfs/dbraw/zinc/07/72/44/675077244.db2.gz WADOEXNAXANNPQ-ZBEGNZNMSA-N -1 1 363.797 2.268 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)c1Cl ZINC000030361846 670108637 /nfs/dbraw/zinc/10/86/37/670108637.db2.gz WNFGUEMOXOOSQT-CQSZACIVSA-N -1 1 368.890 2.016 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(F)c(C(N)=O)c2)c(=O)[n-]1 ZINC000033064974 670133787 /nfs/dbraw/zinc/13/37/87/670133787.db2.gz ZVKWMSUWXSNNKP-UHFFFAOYSA-N -1 1 364.402 2.022 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2c(C)noc2C)c(=O)[n-]1 ZINC000048165218 670258454 /nfs/dbraw/zinc/25/84/54/670258454.db2.gz YJOOLTJNVLBSSS-UHFFFAOYSA-N -1 1 350.444 2.409 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc[nH]1 ZINC000052171436 670309855 /nfs/dbraw/zinc/30/98/55/670309855.db2.gz CDWPCCQEVBCEIG-UHFFFAOYSA-N -1 1 350.396 2.206 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)N[C@H](C)CC ZINC000052171931 670310072 /nfs/dbraw/zinc/31/00/72/670310072.db2.gz JSINKACXZCNBOS-CHWSQXEVSA-N -1 1 370.471 2.298 20 0 FEADMM O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1F ZINC000053723229 670326668 /nfs/dbraw/zinc/32/66/68/670326668.db2.gz MVXUHUUAWJHTMO-UHFFFAOYSA-N -1 1 350.733 2.325 20 0 FEADMM COC(=O)c1sc2[n-]c(CC(=O)OC3CCCCC3)nc(=O)c2c1C ZINC000053845598 670327714 /nfs/dbraw/zinc/32/77/14/670327714.db2.gz DKZMRGLDLDWEBT-UHFFFAOYSA-N -1 1 364.423 2.498 20 0 FEADMM COC1([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCOCC1 ZINC000817154282 675106418 /nfs/dbraw/zinc/10/64/18/675106418.db2.gz OBEFMNQOQXZVRB-VIFPVBQESA-N -1 1 369.270 2.251 20 0 FEADMM O=C(CNC(=O)CC1CCCCC1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078908 670452781 /nfs/dbraw/zinc/45/27/81/670452781.db2.gz UANAZWFHKYLALF-UHFFFAOYSA-N -1 1 365.503 2.021 20 0 FEADMM 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C[C@H]1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000582179307 671976473 /nfs/dbraw/zinc/97/64/73/671976473.db2.gz WDNCJEAXHWLVAG-BBRMVZONSA-N -1 1 351.422 2.010 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)ccc1O ZINC000610317389 675966337 /nfs/dbraw/zinc/96/63/37/675966337.db2.gz QINMSWAMNNINTP-UHFFFAOYSA-N -1 1 353.400 2.000 20 0 FEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000583425221 672093412 /nfs/dbraw/zinc/09/34/12/672093412.db2.gz MQIQFZBDSZFAPX-OCCSQVGLSA-N -1 1 373.858 2.236 20 0 FEADMM CC(C)CN(C(=O)Cc1sc(N)nc1[O-])[C@@H]1CCCc2cccnc21 ZINC000133786340 672115322 /nfs/dbraw/zinc/11/53/22/672115322.db2.gz SLUAVTSEUZSPGN-KGLIPLIRSA-N -1 1 360.483 2.290 20 0 FEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(NC(N)=O)cc2)c1 ZINC000146484986 672150257 /nfs/dbraw/zinc/15/02/57/672150257.db2.gz JERBUPOSXIDDJV-UHFFFAOYSA-N -1 1 362.411 2.109 20 0 FEADMM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000154248085 672212906 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CCOC(=O)c1nnc(NC(=O)c2cc(Br)ccc2[O-])s1 ZINC000610894491 676003976 /nfs/dbraw/zinc/00/39/76/676003976.db2.gz ASXVPVHGYGHPRQ-UHFFFAOYSA-N -1 1 372.200 2.435 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Oc1ccccc1Cl ZINC000173710526 672354087 /nfs/dbraw/zinc/35/40/87/672354087.db2.gz REPYORSLTWYEAD-SECBINFHSA-N -1 1 364.254 2.473 20 0 FEADMM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cc1 ZINC000173708082 672354130 /nfs/dbraw/zinc/35/41/30/672354130.db2.gz BUOUSJCYZBIUIH-CYBMUJFWSA-N -1 1 368.890 2.329 20 0 FEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000176719187 672376323 /nfs/dbraw/zinc/37/63/23/672376323.db2.gz GWQPTPUXUCGHBN-UHFFFAOYSA-N -1 1 363.226 2.406 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000611016105 676010833 /nfs/dbraw/zinc/01/08/33/676010833.db2.gz VPQOKXAVVZFNSR-UHFFFAOYSA-N -1 1 367.402 2.083 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)cc1[N+](=O)[O-] ZINC000181160221 672422694 /nfs/dbraw/zinc/42/26/94/672422694.db2.gz RYBFBMDTSLTKNF-UHFFFAOYSA-N -1 1 363.395 2.397 20 0 FEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(N(C)C)c3C)cc12 ZINC000181158140 672422771 /nfs/dbraw/zinc/42/27/71/672422771.db2.gz NTSDVEATKQGHEK-UHFFFAOYSA-N -1 1 359.455 2.452 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cc2ccccc2s1 ZINC000181999335 672436819 /nfs/dbraw/zinc/43/68/19/672436819.db2.gz FJMNREZMQLZAMH-UHFFFAOYSA-N -1 1 354.391 2.340 20 0 FEADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000588833589 672484424 /nfs/dbraw/zinc/48/44/24/672484424.db2.gz QYOBPRXBQJSDMG-LBPRGKRZSA-N -1 1 359.411 2.171 20 0 FEADMM CC(C)(C)c1ccc2cc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)[nH]c2c1 ZINC000588927770 672494176 /nfs/dbraw/zinc/49/41/76/672494176.db2.gz ZAIRYFAGKUJNPR-UHFFFAOYSA-N -1 1 361.427 2.239 20 0 FEADMM CC(C)(C)c1ccc2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)[nH]c2c1 ZINC000588927770 672494183 /nfs/dbraw/zinc/49/41/83/672494183.db2.gz ZAIRYFAGKUJNPR-UHFFFAOYSA-N -1 1 361.427 2.239 20 0 FEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)/C=C/Sc1ccccc1 ZINC000184997311 672515161 /nfs/dbraw/zinc/51/51/61/672515161.db2.gz INQHVFUBOUNSJY-CSKARUKUSA-N -1 1 356.407 2.118 20 0 FEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1Cl ZINC000185103992 672519346 /nfs/dbraw/zinc/51/93/46/672519346.db2.gz HCKGNEAIZAZRDF-CMPLNLGQSA-N -1 1 372.874 2.250 20 0 FEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(Br)ccc2F)n[nH]1 ZINC000185275511 672524065 /nfs/dbraw/zinc/52/40/65/672524065.db2.gz VESOZUDKYAGBSK-UHFFFAOYSA-N -1 1 356.155 2.086 20 0 FEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)c1 ZINC000589428638 672524466 /nfs/dbraw/zinc/52/44/66/672524466.db2.gz JPMGXTBUDDTNET-UHFFFAOYSA-N -1 1 374.415 2.007 20 0 FEADMM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000589430915 672525066 /nfs/dbraw/zinc/52/50/66/672525066.db2.gz YZCOZROPZIFVIY-UHFFFAOYSA-N -1 1 364.423 2.011 20 0 FEADMM N#CCCn1ccc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)n1 ZINC000185760482 672533781 /nfs/dbraw/zinc/53/37/81/672533781.db2.gz QYOQFDNCRMISSS-UHFFFAOYSA-N -1 1 350.741 2.056 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(c3ccccn3)CC2)c(=O)[n-]1 ZINC000680352735 672567496 /nfs/dbraw/zinc/56/74/96/672567496.db2.gz WONIBFUDOXSZQY-UHFFFAOYSA-N -1 1 358.467 2.388 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H](C)Cc2ccc(F)cc2)o1 ZINC000187730198 672575939 /nfs/dbraw/zinc/57/59/39/672575939.db2.gz SNNWHKCVDYUVFP-NSHDSACASA-N -1 1 355.387 2.362 20 0 FEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000188091229 672583441 /nfs/dbraw/zinc/58/34/41/672583441.db2.gz PFNUQMGRPDARJR-UHFFFAOYSA-N -1 1 352.347 2.110 20 0 FEADMM O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1nn[n-]n1 ZINC000590500965 672586176 /nfs/dbraw/zinc/58/61/76/672586176.db2.gz NFHCEQJGQCKNMF-UHFFFAOYSA-N -1 1 371.245 2.328 20 0 FEADMM O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1nnn[n-]1 ZINC000590500965 672586172 /nfs/dbraw/zinc/58/61/72/672586172.db2.gz NFHCEQJGQCKNMF-UHFFFAOYSA-N -1 1 371.245 2.328 20 0 FEADMM COc1cccc(Cl)c1CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000680940784 672614862 /nfs/dbraw/zinc/61/48/62/672614862.db2.gz 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O=C([O-])c1cn(CCNCc2cc(Cl)ccc2Br)nn1 ZINC000720117242 673079342 /nfs/dbraw/zinc/07/93/42/673079342.db2.gz OSXPSBLCRWELRI-UHFFFAOYSA-N -1 1 359.611 2.182 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)cc1 ZINC000726518815 673127826 /nfs/dbraw/zinc/12/78/26/673127826.db2.gz JHCIYLGNGXMKBE-UHFFFAOYSA-N -1 1 362.363 2.142 20 0 FEADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cc(F)c(Cl)cc1Cl ZINC000726869372 673144514 /nfs/dbraw/zinc/14/45/14/673144514.db2.gz QBZCHXPBCQYMTK-QMMMGPOBSA-N -1 1 374.199 2.250 20 0 FEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1F ZINC000727720506 673180579 /nfs/dbraw/zinc/18/05/79/673180579.db2.gz PFLZKNSGNFOGQW-UHFFFAOYSA-N -1 1 351.355 2.443 20 0 FEADMM CC(C)c1nc2ccc(NC(=O)CCn3cc[n-]c(=O)c3=O)cc2s1 ZINC000727853408 673184945 /nfs/dbraw/zinc/18/49/45/673184945.db2.gz SXPLYJFUUARJDS-UHFFFAOYSA-N -1 1 358.423 2.299 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1C ZINC000595312166 673221731 /nfs/dbraw/zinc/22/17/31/673221731.db2.gz MNESBHYXIVGRGE-IUODEOHRSA-N -1 1 373.471 2.494 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2O)cc1 ZINC000442835150 673222219 /nfs/dbraw/zinc/22/22/19/673222219.db2.gz LQLDEQDJNIPBMT-UHFFFAOYSA-N -1 1 353.396 2.227 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2C[C@H](Oc3ccccc3)C2)cc1C ZINC000595333217 673226662 /nfs/dbraw/zinc/22/66/62/673226662.db2.gz CUOBRWSTPNEEGR-MQMHXKEQSA-N -1 1 365.407 2.263 20 0 FEADMM COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000595399174 673242955 /nfs/dbraw/zinc/24/29/55/673242955.db2.gz IQYXFHZIRZVPKN-FKQCQYRASA-N -1 1 356.202 2.362 20 0 FEADMM CCON1CCC(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)CC1 ZINC000613251180 676119651 /nfs/dbraw/zinc/11/96/51/676119651.db2.gz ZEQJHAUJTSZCSN-UHFFFAOYSA-N -1 1 373.450 2.189 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000462709496 673277837 /nfs/dbraw/zinc/27/78/37/673277837.db2.gz ULPYRZLORAUCRE-LLVKDONJSA-N -1 1 373.352 2.339 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)o1 ZINC000462716452 673278513 /nfs/dbraw/zinc/27/85/13/673278513.db2.gz QUGYAVPASDUXLG-LBPRGKRZSA-N -1 1 353.396 2.120 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)COc2ccc(C)cc2)o1 ZINC000730810635 673291920 /nfs/dbraw/zinc/29/19/20/673291920.db2.gz DTOCYRQTBLTZSK-GFCCVEGCSA-N -1 1 353.396 2.120 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)o1 ZINC000510415071 673344612 /nfs/dbraw/zinc/34/46/12/673344612.db2.gz RTZXZMHAWXTSAZ-ZDUSSCGKSA-N -1 1 365.407 2.128 20 0 FEADMM O=C(C1CCC1)N(CCC[N-]S(=O)(=O)c1cc(F)ccc1F)C1CC1 ZINC000596230580 673370244 /nfs/dbraw/zinc/37/02/44/673370244.db2.gz RSTGQVSVXZKANQ-UHFFFAOYSA-N -1 1 372.437 2.424 20 0 FEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1cc(C)cc(C)c1 ZINC000613573437 676134907 /nfs/dbraw/zinc/13/49/07/676134907.db2.gz IIKKEOHKKCWSPB-OAHLLOKOSA-N -1 1 365.455 2.343 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c(O)c1 ZINC000537736046 673404354 /nfs/dbraw/zinc/40/43/54/673404354.db2.gz IKYCVRQTKMOUOG-UHFFFAOYSA-N -1 1 351.380 2.273 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC000538093382 673421483 /nfs/dbraw/zinc/42/14/83/673421483.db2.gz BAHRIYLGMPBZOT-OAHLLOKOSA-N -1 1 360.435 2.237 20 0 FEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc4nc[nH]c(=O)c4c3)ccc12 ZINC000538754837 673456246 /nfs/dbraw/zinc/45/62/46/673456246.db2.gz JYVBGMJOBVNTNX-UHFFFAOYSA-N -1 1 355.379 2.321 20 0 FEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc4nc[nH]c(=O)c4c3)ccc12 ZINC000538754837 673456248 /nfs/dbraw/zinc/45/62/48/673456248.db2.gz JYVBGMJOBVNTNX-UHFFFAOYSA-N -1 1 355.379 2.321 20 0 FEADMM CCO[C@@H](CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000538870577 673463517 /nfs/dbraw/zinc/46/35/17/673463517.db2.gz NZNJFYDINSYADD-HNNXBMFYSA-N -1 1 358.460 2.176 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)sc2Cl)o1 ZINC000538924167 673466675 /nfs/dbraw/zinc/46/66/75/673466675.db2.gz ALXYGKQPNDPPKH-UHFFFAOYSA-N -1 1 369.251 2.486 20 0 FEADMM Cc1ccc(C(=O)NCCNC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000539082648 673472835 /nfs/dbraw/zinc/47/28/35/673472835.db2.gz BMRCKZRWADHBQL-UHFFFAOYSA-N -1 1 352.312 2.278 20 0 FEADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(OC)ccc1O ZINC000539400674 673488829 /nfs/dbraw/zinc/48/88/29/673488829.db2.gz QPEAKGCSVKSEHX-UHFFFAOYSA-N -1 1 351.380 2.462 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)o1 ZINC000539793746 673506680 /nfs/dbraw/zinc/50/66/80/673506680.db2.gz JLTZJABDDBNDJT-LBPRGKRZSA-N -1 1 372.487 2.432 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)cc1 ZINC000540331904 673534184 /nfs/dbraw/zinc/53/41/84/673534184.db2.gz RTHQYKFVHMZWLH-UHFFFAOYSA-N -1 1 358.423 2.429 20 0 FEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1 ZINC000540339418 673535114 /nfs/dbraw/zinc/53/51/14/673535114.db2.gz HGYKVXMCGJMNIQ-UHFFFAOYSA-N -1 1 361.423 2.163 20 0 FEADMM O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540424067 673538891 /nfs/dbraw/zinc/53/88/91/673538891.db2.gz YXKYXEXEZXCRNU-SNVBAGLBSA-N -1 1 363.805 2.034 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CCn2c(nnc2C(F)F)C1 ZINC000614232976 676166241 /nfs/dbraw/zinc/16/62/41/676166241.db2.gz SYKYRDGEGASPGM-UHFFFAOYSA-N -1 1 373.157 2.340 20 0 FEADMM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000543048402 673622207 /nfs/dbraw/zinc/62/22/07/673622207.db2.gz KFWYMXHZKOXNHE-RQJHMYQMSA-N -1 1 358.204 2.165 20 0 FEADMM CS(=O)(=O)c1cccc(OCCOC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000738634789 673623790 /nfs/dbraw/zinc/62/37/90/673623790.db2.gz GMNDLUKQEXIANP-UHFFFAOYSA-N -1 1 372.345 2.310 20 0 FEADMM CCO[C@@H](CS(=O)(=O)[N-][C@@H](C(=O)OC)c1cc(C)cc(C)c1)C1CC1 ZINC000599277939 673652517 /nfs/dbraw/zinc/65/25/17/673652517.db2.gz BAGQZKJQRZOOKO-DLBZAZTESA-N -1 1 369.483 2.252 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nnn[n-]1)c1cccc(Cl)c1 ZINC000740826713 673656164 /nfs/dbraw/zinc/65/61/64/673656164.db2.gz QUNYJDVAGCRGTA-SNVBAGLBSA-N -1 1 352.782 2.058 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nn[n-]n1)c1cccc(Cl)c1 ZINC000740826713 673656165 /nfs/dbraw/zinc/65/61/65/673656165.db2.gz QUNYJDVAGCRGTA-SNVBAGLBSA-N -1 1 352.782 2.058 20 0 FEADMM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599321186 673658501 /nfs/dbraw/zinc/65/85/01/673658501.db2.gz IAYCYNZFBDLYTA-VIFPVBQESA-N -1 1 373.381 2.007 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)CC1(C)OCCO1 ZINC000741158084 673673236 /nfs/dbraw/zinc/67/32/36/673673236.db2.gz BQEJHYKNZLHYFF-VIFPVBQESA-N -1 1 353.362 2.171 20 0 FEADMM COc1cc(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)ccc1[N-]S(C)(=O)=O ZINC000544198143 673697700 /nfs/dbraw/zinc/69/77/00/673697700.db2.gz MMWBRTQQIMOPPW-VIFPVBQESA-N -1 1 366.443 2.149 20 0 FEADMM NC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCCC1 ZINC000742298178 673719893 /nfs/dbraw/zinc/71/98/93/673719893.db2.gz BNSKQKDEKCNSFA-UHFFFAOYSA-N -1 1 370.780 2.435 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@H](O)Cc1ccccc1 ZINC000544714817 673728505 /nfs/dbraw/zinc/72/85/05/673728505.db2.gz OZIUKRRVVYLBSI-ZYHUDNBSSA-N -1 1 374.256 2.313 20 0 FEADMM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1ccc(Br)o1 ZINC000544721005 673728752 /nfs/dbraw/zinc/72/87/52/673728752.db2.gz FTPYHIQPGQSWOH-UHFFFAOYSA-N -1 1 358.213 2.456 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000545233051 673753742 /nfs/dbraw/zinc/75/37/42/673753742.db2.gz OKHYNCNBDXGPOS-UWVGGRQHSA-N -1 1 351.332 2.306 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1CO ZINC000743729548 673770750 /nfs/dbraw/zinc/77/07/50/673770750.db2.gz OAIIVHYQQRRONP-UHFFFAOYSA-N -1 1 363.391 2.049 20 0 FEADMM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546098359 673792153 /nfs/dbraw/zinc/79/21/53/673792153.db2.gz XNBGKKFVPLQREN-UHFFFAOYSA-N -1 1 363.780 2.263 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)C1CCCCC1 ZINC000546177559 673795623 /nfs/dbraw/zinc/79/56/23/673795623.db2.gz RVZWIILBUONZML-INIZCTEOSA-N -1 1 366.439 2.369 20 0 FEADMM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nc(C(F)(F)F)no1 ZINC000546598051 673805295 /nfs/dbraw/zinc/80/52/95/673805295.db2.gz QFYUOQTYVQBTTB-UHFFFAOYSA-N -1 1 355.725 2.361 20 0 FEADMM CCCOC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000744830349 673812723 /nfs/dbraw/zinc/81/27/23/673812723.db2.gz XYOJTUOMIKWUGJ-GFCCVEGCSA-N -1 1 357.428 2.337 20 0 FEADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1(CO)CC1 ZINC000614772238 676190700 /nfs/dbraw/zinc/19/07/00/676190700.db2.gz XBXURGBALVAUAY-UHFFFAOYSA-N -1 1 351.200 2.300 20 0 FEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)C2CCC(C)CC2)(C(=O)OC)C1(C)C ZINC000601399418 673855610 /nfs/dbraw/zinc/85/56/10/673855610.db2.gz LNGKBSTZFZHJHD-TXBNBULBSA-N -1 1 361.504 2.231 20 0 FEADMM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)n1 ZINC000601442666 673863108 /nfs/dbraw/zinc/86/31/08/673863108.db2.gz HBXDTLCSUCAPJU-QMMMGPOBSA-N -1 1 358.441 2.433 20 0 FEADMM O=C(NC[C@H](O)COCC1CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000548955826 674008021 /nfs/dbraw/zinc/00/80/21/674008021.db2.gz PKPHQVBIIUPKJE-LBPRGKRZSA-N -1 1 350.802 2.111 20 0 FEADMM CCc1oc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1C(=O)OC ZINC000548957631 674008409 /nfs/dbraw/zinc/00/84/09/674008409.db2.gz BFWRHBVXHWKHLR-UHFFFAOYSA-N -1 1 369.370 2.424 20 0 FEADMM CCCCCc1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])n[nH]1 ZINC000615054691 676200559 /nfs/dbraw/zinc/20/05/59/676200559.db2.gz QVQUSTLRKGZOKK-UHFFFAOYSA-N -1 1 366.443 2.008 20 0 FEADMM O=C([N-]c1nnc(C2CCOCC2)s1)c1nnc2ccccc2c1O ZINC000818956360 675246294 /nfs/dbraw/zinc/24/62/94/675246294.db2.gz DLTGOGCKESSOPD-UHFFFAOYSA-N -1 1 357.395 2.333 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1cc2cc(F)ccc2o1 ZINC000566896484 675251131 /nfs/dbraw/zinc/25/11/31/675251131.db2.gz LHXQOAAVXVALCE-NSHDSACASA-N -1 1 366.336 2.487 20 0 FEADMM COCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000615476243 676216516 /nfs/dbraw/zinc/21/65/16/676216516.db2.gz JVPINFMJJOHVNV-UHFFFAOYSA-N -1 1 373.833 2.485 20 0 FEADMM CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)c1ccccc1Cl ZINC000567732632 675317560 /nfs/dbraw/zinc/31/75/60/675317560.db2.gz JHWRCXDLIXPQMP-HRCADAONSA-N -1 1 368.861 2.471 20 0 FEADMM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC000819875824 675318079 /nfs/dbraw/zinc/31/80/79/675318079.db2.gz KRXOECRIJDSPDU-HNNXBMFYSA-N -1 1 357.378 2.294 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H]1CCN(C(C)(C)C)C1=O ZINC000820313198 675352588 /nfs/dbraw/zinc/35/25/88/675352588.db2.gz ISDLOTYQWGALBY-AWEZNQCLSA-N -1 1 368.455 2.004 20 0 FEADMM CO[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@@H](C(=O)[O-])C1 ZINC000568285073 675363830 /nfs/dbraw/zinc/36/38/30/675363830.db2.gz XPKWTFLQCHHSHS-MEBBXXQBSA-N -1 1 363.801 2.434 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@]12C[C@H]1CCC2 ZINC000568985617 675415260 /nfs/dbraw/zinc/41/52/60/675415260.db2.gz JSEMFMHGYOIZLJ-SJKOYZFVSA-N -1 1 350.440 2.305 20 0 FEADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCN(C2CC2)C1=O ZINC000821374087 675431011 /nfs/dbraw/zinc/43/10/11/675431011.db2.gz BGPPUKPHVWOLTK-JTQLQIEISA-N -1 1 353.216 2.494 20 0 FEADMM CCOc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821416761 675434151 /nfs/dbraw/zinc/43/41/51/675434151.db2.gz DFFXWKDTCLQFIG-UHFFFAOYSA-N -1 1 358.379 2.367 20 0 FEADMM CCOc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821416761 675434152 /nfs/dbraw/zinc/43/41/52/675434152.db2.gz DFFXWKDTCLQFIG-UHFFFAOYSA-N -1 1 358.379 2.367 20 0 FEADMM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1cc2[nH]cnc2cc1F ZINC000821619856 675443808 /nfs/dbraw/zinc/44/38/08/675443808.db2.gz PJBDOBYVPJYBJZ-UHFFFAOYSA-N -1 1 353.762 2.474 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC000825494324 675656035 /nfs/dbraw/zinc/65/60/35/675656035.db2.gz WBVZMDMFMWKWDL-AWEZNQCLSA-N -1 1 357.439 2.192 20 0 FEADMM COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000826212689 675684486 /nfs/dbraw/zinc/68/44/86/675684486.db2.gz XYFHQVWGODBHRE-GFCCVEGCSA-N -1 1 355.423 2.224 20 0 FEADMM COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000826212689 675684488 /nfs/dbraw/zinc/68/44/88/675684488.db2.gz XYFHQVWGODBHRE-GFCCVEGCSA-N -1 1 355.423 2.224 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3ccc(C)cc3s2)c1-c1nnn[n-]1 ZINC000826295345 675685215 /nfs/dbraw/zinc/68/52/15/675685215.db2.gz CXGBZIMSGUXPQP-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM Cc1onc(CC(=O)Nc2nc3ccc(C)cc3s2)c1-c1nn[n-]n1 ZINC000826295345 675685218 /nfs/dbraw/zinc/68/52/18/675685218.db2.gz CXGBZIMSGUXPQP-UHFFFAOYSA-N -1 1 355.383 2.262 20 0 FEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1-c1nn[nH]n1 ZINC000826268578 675685397 /nfs/dbraw/zinc/68/53/97/675685397.db2.gz CRVUMDCUBIKFKX-UHFFFAOYSA-N -1 1 351.338 2.254 20 0 FEADMM COc1cccc(C[C@@H](C)CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000826927521 675716166 /nfs/dbraw/zinc/71/61/66/675716166.db2.gz CYNKOGVYNFNJAN-DOMZBBRYSA-N -1 1 363.487 2.388 20 0 FEADMM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1=O ZINC000827815123 675781025 /nfs/dbraw/zinc/78/10/25/675781025.db2.gz NQXQKTLCKIGLKG-VIFPVBQESA-N -1 1 366.270 2.066 20 0 FEADMM Cn1cnc(/C=C/C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000827942237 675787881 /nfs/dbraw/zinc/78/78/81/675787881.db2.gz AOXFYNYWFQAGST-HWKANZROSA-N -1 1 360.845 2.137 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C)C2)c(F)cc1Cl ZINC000828288535 675810765 /nfs/dbraw/zinc/81/07/65/675810765.db2.gz LZOJDBDEORNDOU-IUCAKERBSA-N -1 1 365.810 2.112 20 0 FEADMM O=C(CSc1ccc(C(F)(F)F)cn1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381489 675812441 /nfs/dbraw/zinc/81/24/41/675812441.db2.gz UKZSQBLUXCCOBM-UHFFFAOYSA-N -1 1 372.376 2.291 20 0 FEADMM O=C(COc1c(Cl)cccc1Cl)NC1(c2nn[n-]n2)CCCC1 ZINC000605531835 675817772 /nfs/dbraw/zinc/81/77/72/675817772.db2.gz PWIXTGIQYNLXIA-UHFFFAOYSA-N -1 1 356.213 2.471 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@H]1CCCC12OCCO2 ZINC000828745384 675841609 /nfs/dbraw/zinc/84/16/09/675841609.db2.gz UOLHWXRLHHBIFU-SNVBAGLBSA-N -1 1 364.789 2.312 20 0 FEADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@H]1CCCC12OCCO2 ZINC000828745384 675841614 /nfs/dbraw/zinc/84/16/14/675841614.db2.gz UOLHWXRLHHBIFU-SNVBAGLBSA-N -1 1 364.789 2.312 20 0 FEADMM 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CCOC1(CS(=O)(=O)[N-]c2cnn([C@@H](C)CC)c2C)CCOCC1 ZINC000629295548 676842186 /nfs/dbraw/zinc/84/21/86/676842186.db2.gz MDXSQVLYUCWWTF-ZDUSSCGKSA-N -1 1 359.492 2.490 20 0 FEADMM COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(OC)c1 ZINC000629503209 676857753 /nfs/dbraw/zinc/85/77/53/676857753.db2.gz VAKZLEVSCWVPCY-MBNYWOFBSA-N -1 1 350.415 2.073 20 0 FEADMM CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000629864433 676871050 /nfs/dbraw/zinc/87/10/50/676871050.db2.gz CVCOFMNIOGTQKX-GFCCVEGCSA-N -1 1 355.232 2.286 20 0 FEADMM COc1ccc([C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C(=O)[O-])cc1Cl ZINC000630187700 676886102 /nfs/dbraw/zinc/88/61/02/676886102.db2.gz AWSXBXRGRUCDIU-LKFCYVNXSA-N -1 1 351.790 2.192 20 0 FEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000630223867 676888101 /nfs/dbraw/zinc/88/81/01/676888101.db2.gz YTRLIAAKURCASD-UHFFFAOYSA-N -1 1 350.846 2.379 20 0 FEADMM CSc1ccc(O[C@H](C)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000630225750 676888513 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/nfs/dbraw/zinc/09/84/20/677098420.db2.gz SMHIGNYRGCZDDW-UHFFFAOYSA-N -1 1 363.849 2.040 20 0 FEADMM CC(C)(CNC(=O)CCCc1nn[n-]n1)c1cccc(Br)c1 ZINC000635472982 677099919 /nfs/dbraw/zinc/09/99/19/677099919.db2.gz JOLLGHZQYVZALN-UHFFFAOYSA-N -1 1 366.263 2.379 20 0 FEADMM O=C(CCCc1nn[n-]n1)NCC(F)(F)c1ccc(Br)cc1 ZINC000636244532 677116016 /nfs/dbraw/zinc/11/60/16/677116016.db2.gz XECDMLTUJBJTMB-UHFFFAOYSA-N -1 1 374.189 2.193 20 0 FEADMM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000643848917 677233359 /nfs/dbraw/zinc/23/33/59/677233359.db2.gz OUWQBVIJAAHHGH-QGZVFWFLSA-N -1 1 363.801 2.436 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1F ZINC000644279007 677241141 /nfs/dbraw/zinc/24/11/41/677241141.db2.gz MAKUXNUJYBKOGG-UFBFGSQYSA-N -1 1 359.316 2.397 20 0 FEADMM C[C@]1(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCCC[C@@H]1O ZINC000645579713 677264755 /nfs/dbraw/zinc/26/47/55/677264755.db2.gz XIMAPQQLOMRMIH-WCQYABFASA-N -1 1 352.378 2.320 20 0 FEADMM C[C@@]1(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCCC[C@@H]1O ZINC000645579711 677264788 /nfs/dbraw/zinc/26/47/88/677264788.db2.gz XIMAPQQLOMRMIH-AAEUAGOBSA-N -1 1 352.378 2.320 20 0 FEADMM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ncccc1C(F)(F)F ZINC000645605426 677265562 /nfs/dbraw/zinc/26/55/62/677265562.db2.gz FOFOQMSCMLVWBH-MVWJERBFSA-N -1 1 350.362 2.336 20 0 FEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)s1 ZINC000645651028 677267393 /nfs/dbraw/zinc/26/73/93/677267393.db2.gz UEBMGBIOWWMPJP-LURJTMIESA-N -1 1 352.363 2.300 20 0 FEADMM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1ncccc1C(F)(F)F ZINC000645652420 677267410 /nfs/dbraw/zinc/26/74/10/677267410.db2.gz AGNUARCXWGATMT-JTQLQIEISA-N -1 1 352.359 2.174 20 0 FEADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C12CCC2 ZINC000645756178 677270811 /nfs/dbraw/zinc/27/08/11/677270811.db2.gz YTVLKSBGILUPRA-QWRGUYRKSA-N -1 1 350.362 2.336 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000646411811 677284011 /nfs/dbraw/zinc/28/40/11/677284011.db2.gz SRRNPHTUGTWRCR-UHFFFAOYSA-N -1 1 366.443 2.015 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000647123543 677295405 /nfs/dbraw/zinc/29/54/05/677295405.db2.gz DZOUQUMFRDVYSO-MRXNPFEDSA-N -1 1 354.472 2.335 20 0 FEADMM CCc1c([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)cnn1CC(C)C ZINC000647129217 677295840 /nfs/dbraw/zinc/29/58/40/677295840.db2.gz KQIFCTNMXNVBHR-QGZVFWFLSA-N -1 1 373.519 2.285 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)nnn3C)cc1OC ZINC000647136030 677296225 /nfs/dbraw/zinc/29/62/25/677296225.db2.gz TVTKJVAGBVNWRL-UHFFFAOYSA-N -1 1 362.411 2.095 20 0 FEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000647816485 677306357 /nfs/dbraw/zinc/30/63/57/677306357.db2.gz KHGZOXZFRAMBID-NSHDSACASA-N -1 1 366.830 2.231 20 0 FEADMM O=C(c1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c[nH]1)N1CCCC1 ZINC000647919658 677308488 /nfs/dbraw/zinc/30/84/88/677308488.db2.gz KGWVNTRRGHHMBY-UHFFFAOYSA-N -1 1 369.830 2.411 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1 ZINC000647919608 677308533 /nfs/dbraw/zinc/30/85/33/677308533.db2.gz HAGKAKYODDGWRV-UHFFFAOYSA-N -1 1 362.363 2.237 20 0 FEADMM C[C@H]1C[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CO1 ZINC000649151410 677326703 /nfs/dbraw/zinc/32/67/03/677326703.db2.gz YRPYDMGZBPYMSI-BBRMVZONSA-N -1 1 360.435 2.395 20 0 FEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@H]1CCc2nccn2C1 ZINC000649417541 677330825 /nfs/dbraw/zinc/33/08/25/677330825.db2.gz FFRNLBVNALHRQF-JTQLQIEISA-N -1 1 358.789 2.228 20 0 FEADMM COc1ccc(NC(=O)N2CCCC(F)(F)C2)cc1[N-]S(C)(=O)=O ZINC000650056013 677350654 /nfs/dbraw/zinc/35/06/54/677350654.db2.gz HPPPZWXRMREIOO-UHFFFAOYSA-N -1 1 363.386 2.330 20 0 FEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)c1 ZINC000650167070 677356145 /nfs/dbraw/zinc/35/61/45/677356145.db2.gz YSWFGKYPRMYBPC-UHFFFAOYSA-N -1 1 367.448 2.315 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CC[C@@](O)(C(F)(F)F)C3)cnc2n1 ZINC000650308574 677365690 /nfs/dbraw/zinc/36/56/90/677365690.db2.gz LYYQVIWPQLCUFM-VFZGTOFNSA-N -1 1 355.316 2.220 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N[C@H]3CC[C@@](O)(C(F)(F)F)C3)c[n-]c2n1 ZINC000650308574 677365692 /nfs/dbraw/zinc/36/56/92/677365692.db2.gz LYYQVIWPQLCUFM-VFZGTOFNSA-N -1 1 355.316 2.220 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c(F)c1 ZINC000651819844 677454592 /nfs/dbraw/zinc/45/45/92/677454592.db2.gz OGCYMANXVCRMMF-HNNXBMFYSA-N -1 1 361.410 2.457 20 0 FEADMM C[C@@H](CCO)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000652968098 677508774 /nfs/dbraw/zinc/50/87/74/677508774.db2.gz IAQRWBAKAGRPCR-AWEZNQCLSA-N -1 1 362.451 2.330 20 0 FEADMM CCOc1cc(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc(Cl)c1[O-] ZINC000655234895 677632107 /nfs/dbraw/zinc/63/21/07/677632107.db2.gz AQGNYUKZZBPFAX-NSHDSACASA-N -1 1 366.805 2.344 20 0 FEADMM CCCCO[C@H]1C[C@H](OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(C)C ZINC000761240270 680716497 /nfs/dbraw/zinc/71/64/97/680716497.db2.gz VTERHPWBXZVZTK-STQMWFEESA-N -1 1 359.444 2.328 20 0 FEADMM COCC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000655639296 677656267 /nfs/dbraw/zinc/65/62/67/677656267.db2.gz HIXUQGVRNDRFLO-UHFFFAOYSA-N -1 1 370.215 2.432 20 0 FEADMM C[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655640005 677656520 /nfs/dbraw/zinc/65/65/20/677656520.db2.gz XYKPWPALULYNGZ-UPJWGTAASA-N -1 1 370.446 2.348 20 0 FEADMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000655651160 677657722 /nfs/dbraw/zinc/65/77/22/677657722.db2.gz KRNQXTQRDWFNGM-SECBINFHSA-N -1 1 357.398 2.168 20 0 FEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000761337787 680720237 /nfs/dbraw/zinc/72/02/37/680720237.db2.gz SCCDAXUHNSSLEJ-UHFFFAOYSA-N -1 1 368.789 2.378 20 0 FEADMM COc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1[N-]S(C)(=O)=O ZINC000656495416 677758696 /nfs/dbraw/zinc/75/86/96/677758696.db2.gz PMDBMEMGUNXTNL-KGYLQXTDSA-N -1 1 353.444 2.377 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1)[C@@H]1CCOC1 ZINC000656616873 677784273 /nfs/dbraw/zinc/78/42/73/677784273.db2.gz USGIQRISYZQOCD-MLGOLLRUSA-N -1 1 366.439 2.498 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(N)=O)c(C)c1)C1CCCCC1 ZINC000656621381 677786163 /nfs/dbraw/zinc/78/61/63/677786163.db2.gz OBGOGIHWGOFCMP-INIZCTEOSA-N -1 1 354.472 2.431 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1c(F)cccc1NC(C)C)[C@@H]1CCOC1 ZINC000656625661 677790861 /nfs/dbraw/zinc/79/08/61/677790861.db2.gz GRPGDLBBPMTUGU-IUODEOHRSA-N -1 1 360.451 2.439 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)cc1F)[C@H]1CCOC1 ZINC000656630173 677795312 /nfs/dbraw/zinc/79/53/12/677795312.db2.gz XZJQSWCHJNWKJS-TVQRCGJNSA-N -1 1 369.361 2.220 20 0 FEADMM O=C([O-])[C@@H]1CCN(CCS(=O)(=O)c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000656764359 677829082 /nfs/dbraw/zinc/82/90/82/677829082.db2.gz KDIORXRPQNIUSQ-GVDBMIGSSA-N -1 1 351.468 2.426 20 0 FEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ncccc1Br ZINC000656943797 677880002 /nfs/dbraw/zinc/88/00/02/677880002.db2.gz QENGWNHFNHQMPA-YUSALJHKSA-N -1 1 373.272 2.080 20 0 FEADMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ncccc2Br)CCO1 ZINC000656954355 677884659 /nfs/dbraw/zinc/88/46/59/677884659.db2.gz BGSAHQCZVSPLRD-QWRGUYRKSA-N -1 1 363.277 2.328 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)C1CCCCC1 ZINC000656956532 677885617 /nfs/dbraw/zinc/88/56/17/677885617.db2.gz JHNNQEJSSGDZAJ-JTQLQIEISA-N -1 1 371.381 2.103 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Cl)cc(Br)c1 ZINC000656964788 677889730 /nfs/dbraw/zinc/88/97/30/677889730.db2.gz ZSGSSNRBXYELFR-UHFFFAOYSA-N -1 1 364.595 2.008 20 0 FEADMM CCOC1CC(CC[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656970533 677892495 /nfs/dbraw/zinc/89/24/95/677892495.db2.gz OFBYBHDGIDYXIN-UHFFFAOYSA-N -1 1 363.277 2.328 20 0 FEADMM COCC1(C[N-]S(=O)(=O)c2ncccc2Br)CCCC1 ZINC000657007852 677909269 /nfs/dbraw/zinc/90/92/69/677909269.db2.gz SRJXXGGPGCIIAI-UHFFFAOYSA-N -1 1 363.277 2.329 20 0 FEADMM O=S(=O)([N-]Cc1cccnc1N1CCCC1)c1cc(F)ccc1F ZINC000657070449 677933467 /nfs/dbraw/zinc/93/34/67/677933467.db2.gz ONMYQRAEALHPAF-UHFFFAOYSA-N -1 1 353.394 2.439 20 0 FEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1cnc(Cl)c(F)c1 ZINC000761954992 680735913 /nfs/dbraw/zinc/73/59/13/680735913.db2.gz XHMJNNDGMZESRF-UHFFFAOYSA-N -1 1 353.766 2.256 20 0 FEADMM O=C1CCCN1[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000657092695 677942861 /nfs/dbraw/zinc/94/28/61/677942861.db2.gz BKGVJZPGWQRUOU-CHWSQXEVSA-N -1 1 358.410 2.177 20 0 FEADMM Cc1ccncc1COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000762119526 680741402 /nfs/dbraw/zinc/74/14/02/680741402.db2.gz IPMIUCZZKUCGOR-UHFFFAOYSA-N -1 1 352.412 2.417 20 0 FEADMM CCOc1cc(C(=O)N(CCOC)CCC(=O)OC)cc(Cl)c1[O-] ZINC000762607457 680755639 /nfs/dbraw/zinc/75/56/39/680755639.db2.gz XZPKASJSCCPZSH-UHFFFAOYSA-N -1 1 359.806 2.096 20 0 FEADMM O=C([N-]CCCSc1nncn1CCc1ccccn1)C(F)(F)F ZINC000762774076 680761330 /nfs/dbraw/zinc/76/13/30/680761330.db2.gz YBBGDQOVRJMHOC-UHFFFAOYSA-N -1 1 359.377 2.077 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccncc2)C2(CO)CCC2)sc1C ZINC000660166181 678301545 /nfs/dbraw/zinc/30/15/45/678301545.db2.gz LCCIBIVVVLMUDH-CQSZACIVSA-N -1 1 367.496 2.337 20 0 FEADMM N[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Br)c1 ZINC000763020510 680769031 /nfs/dbraw/zinc/76/90/31/680769031.db2.gz SJQREGIJVKEPEU-CQSZACIVSA-N -1 1 363.211 2.464 20 0 FEADMM O=c1[n-]c([C@@H]2CCCN(CC[C@@H]3Sc4ccccc4NC3=O)C2)n[nH]1 ZINC000660559731 678357566 /nfs/dbraw/zinc/35/75/66/678357566.db2.gz YKQWCLKQLOJKTJ-RISCZKNCSA-N -1 1 359.455 2.193 20 0 FEADMM COC(OC)[C@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000839771491 680777903 /nfs/dbraw/zinc/77/79/03/680777903.db2.gz RBSSTCIMZBGVSQ-QMMMGPOBSA-N -1 1 369.215 2.440 20 0 FEADMM C[C@H](C(=O)NCCc1cccs1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222115 678592772 /nfs/dbraw/zinc/59/27/72/678592772.db2.gz LUHBPCCHRBIKMC-CXAGYDPISA-N -1 1 358.463 2.479 20 0 FEADMM CCNS(=O)(=O)c1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000764341885 680806987 /nfs/dbraw/zinc/80/69/87/680806987.db2.gz MZNQSVBHADBILA-UHFFFAOYSA-N -1 1 368.842 2.274 20 0 FEADMM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000667703321 679123123 /nfs/dbraw/zinc/12/31/23/679123123.db2.gz MTGWYHTWBCDDAX-BXUZGUMPSA-N -1 1 359.451 2.370 20 0 FEADMM Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000765142608 680832519 /nfs/dbraw/zinc/83/25/19/680832519.db2.gz XDJAGTFONNAASO-UHFFFAOYSA-N -1 1 374.777 2.447 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c(F)c1 ZINC000671185278 679315655 /nfs/dbraw/zinc/31/56/55/679315655.db2.gz NTYLIAHNDHVVCY-UHFFFAOYSA-N -1 1 367.377 2.371 20 0 FEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)n1 ZINC000671186622 679315750 /nfs/dbraw/zinc/31/57/50/679315750.db2.gz UAXZZSVJXBASDZ-UHFFFAOYSA-N -1 1 362.411 2.388 20 0 FEADMM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672209667 679363623 /nfs/dbraw/zinc/36/36/23/679363623.db2.gz WZQVDZHAIZXYQP-YPMHNXCESA-N -1 1 358.360 2.346 20 0 FEADMM Cc1[nH]nc(C(=O)N2CCN(C)c3cc(Br)ccc32)c1[O-] ZINC000672210615 679363898 /nfs/dbraw/zinc/36/38/98/679363898.db2.gz XNRRLPZAUSKJOD-UHFFFAOYSA-N -1 1 351.204 2.283 20 0 FEADMM O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)[N-][C@H]2CCCC2(F)F)C1 ZINC000672429901 679376126 /nfs/dbraw/zinc/37/61/26/679376126.db2.gz VGUPMWVFGXRKLJ-CABCVRRESA-N -1 1 372.437 2.398 20 0 FEADMM CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)NCc1nn[n-]n1 ZINC000673667613 679442433 /nfs/dbraw/zinc/44/24/33/679442433.db2.gz DCOYMQVEHBKDSE-UHFFFAOYSA-N -1 1 356.352 2.385 20 0 FEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F)c1ccc(C)o1 ZINC000673824787 679449723 /nfs/dbraw/zinc/44/97/23/679449723.db2.gz QKOBPMVETYVOJM-CQSZACIVSA-N -1 1 370.402 2.352 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]CCc2cn3cccc(C)c3n2)sc1C ZINC000676415997 679632499 /nfs/dbraw/zinc/63/24/99/679632499.db2.gz GEWVGBNJWCFXSG-UHFFFAOYSA-N -1 1 350.469 2.237 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)ccc1F ZINC000747595214 679891954 /nfs/dbraw/zinc/89/19/54/679891954.db2.gz KFNSWJOVOIAUCE-UHFFFAOYSA-N -1 1 366.370 2.372 20 0 FEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)c1 ZINC000747596871 679891990 /nfs/dbraw/zinc/89/19/90/679891990.db2.gz QUCSLTXZVLOQID-UHFFFAOYSA-N -1 1 367.354 2.200 20 0 FEADMM O=C(CCSCc1ccccc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831125626 679928439 /nfs/dbraw/zinc/92/84/39/679928439.db2.gz NLKQDKSVDYTKBY-UHFFFAOYSA-N -1 1 360.401 2.447 20 0 FEADMM O=C(CSc1nc2ccccc2o1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831157843 679936690 /nfs/dbraw/zinc/93/66/90/679936690.db2.gz BUGZAOUXIFZHOT-UHFFFAOYSA-N -1 1 373.356 2.057 20 0 FEADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748639187 679982761 /nfs/dbraw/zinc/98/27/61/679982761.db2.gz CQBFFYDLMBAYSO-UHFFFAOYSA-N -1 1 366.464 2.014 20 0 FEADMM CC1(/C=C\C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCOCC1 ZINC000831722783 680032319 /nfs/dbraw/zinc/03/23/19/680032319.db2.gz DMMVPORKAMWMFX-DJWKRKHSSA-N -1 1 362.392 2.276 20 0 FEADMM COc1ccccc1CNC(=O)COC(=O)c1c([O-])cc(F)cc1F ZINC000749281293 680035742 /nfs/dbraw/zinc/03/57/42/680035742.db2.gz 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O=C(c1nc(F)ccc1Br)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342511 682539265 /nfs/dbraw/zinc/53/92/65/682539265.db2.gz WFQUVDYSZPYWJH-UHFFFAOYSA-N -1 1 371.166 2.092 20 0 FEADMM O=C([C@@H](O)c1ccc(Cl)cc1F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342334 682539286 /nfs/dbraw/zinc/53/92/86/682539286.db2.gz PMJBNAKYOYLTRB-LBPRGKRZSA-N -1 1 355.753 2.007 20 0 FEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000854366851 682542717 /nfs/dbraw/zinc/54/27/17/682542717.db2.gz BWKADLRUFXCCOS-CYBMUJFWSA-N -1 1 361.467 2.301 20 0 FEADMM COc1ccc(NC(=O)c2nc(Cl)cs2)cc1[N-]S(C)(=O)=O ZINC000788728286 682554111 /nfs/dbraw/zinc/55/41/11/682554111.db2.gz YLOMLTQKMDOVMU-UHFFFAOYSA-N -1 1 361.832 2.429 20 0 FEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(C)(C)C ZINC000788901658 682564395 /nfs/dbraw/zinc/56/43/95/682564395.db2.gz SCAHCKLNMRZRAU-OAHLLOKOSA-N -1 1 353.440 2.317 20 0 FEADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000789930164 682639300 /nfs/dbraw/zinc/63/93/00/682639300.db2.gz 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/nfs/dbraw/zinc/49/32/12/691493212.db2.gz UCFLYGFYWFXJRQ-GQPNGRKGSA-N -1 1 353.498 2.313 20 0 FEADMM O=C(c1cccc(C(F)(F)F)c1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478361 691496267 /nfs/dbraw/zinc/49/62/67/691496267.db2.gz XPRDOSOVBOGZLZ-SECBINFHSA-N -1 1 361.324 2.288 20 0 FEADMM O=C(c1cc(C2CC2)cnc1Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478275 691496346 /nfs/dbraw/zinc/49/63/46/691496346.db2.gz IDCXCMFAALYOSR-LLVKDONJSA-N -1 1 350.835 2.056 20 0 FEADMM Cc1cc(Br)c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)s1 ZINC000907479463 691497003 /nfs/dbraw/zinc/49/70/03/691497003.db2.gz DYXPOTUAAQVUCN-QMMMGPOBSA-N -1 1 374.289 2.262 20 0 FEADMM O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481107 691497784 /nfs/dbraw/zinc/49/77/84/691497784.db2.gz ZKMJMIPUPGYGLE-YGOYTEALSA-N -1 1 369.372 2.037 20 0 FEADMM O=S(=O)([N-]Cc1cnn(CCF)c1)c1ccc(Cl)nc1Cl ZINC000907648221 691532034 /nfs/dbraw/zinc/53/20/34/691532034.db2.gz DSBWKJAGGLQEOK-UHFFFAOYSA-N -1 1 353.206 2.033 20 0 FEADMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1 ZINC000907946569 691587976 /nfs/dbraw/zinc/58/79/76/691587976.db2.gz USDWDLIVADKADL-UHFFFAOYSA-N -1 1 350.396 2.121 20 0 FEADMM O=S(=O)([N-]CC[C@@H](O)C1CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000908311318 691657541 /nfs/dbraw/zinc/65/75/41/691657541.db2.gz BYYGAQLIJHCTAT-SECBINFHSA-N -1 1 358.769 2.193 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC/C=C/Cl)c(F)c1 ZINC000908453156 691682127 /nfs/dbraw/zinc/68/21/27/691682127.db2.gz QHKNXJOMPWXOPH-ZZXKWVIFSA-N -1 1 370.855 2.008 20 0 FEADMM CO[C@@H](C(=O)Nc1cccc([O-])c1Br)C(=O)OC(C)(C)C ZINC000908717747 691717955 /nfs/dbraw/zinc/71/79/55/691717955.db2.gz NVBBKPTWKLQXBS-NSHDSACASA-N -1 1 360.204 2.450 20 0 FEADMM COCCOc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000908745889 691721643 /nfs/dbraw/zinc/72/16/43/691721643.db2.gz RCFUCZVZMSLTMC-GFCCVEGCSA-N -1 1 370.833 2.100 20 0 FEADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000908748751 691722087 /nfs/dbraw/zinc/72/20/87/691722087.db2.gz ZLWCGQZKHCSFEG-GHMZBOCLSA-N -1 1 363.336 2.121 20 0 FEADMM CN(C)[C@@H](CNC(=O)N(C)C1(C(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000908750798 691722654 /nfs/dbraw/zinc/72/26/54/691722654.db2.gz CEFYYNYHYMOUNS-HNNXBMFYSA-N -1 1 351.422 2.467 20 0 FEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000908760401 691725243 /nfs/dbraw/zinc/72/52/43/691725243.db2.gz QMMJBOLCVODEBQ-LLVKDONJSA-N -1 1 360.332 2.363 20 0 FEADMM C[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)Oc1ccc(Cl)cc1 ZINC000908824068 691736334 /nfs/dbraw/zinc/73/63/34/691736334.db2.gz ARNPVIVEVDBVTJ-STQMWFEESA-N -1 1 354.834 2.020 20 0 FEADMM O=C([O-])[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(Br)cc1 ZINC000908914079 691751909 /nfs/dbraw/zinc/75/19/09/691751909.db2.gz VODXRSLQRRDSCJ-GFCCVEGCSA-N -1 1 364.199 2.217 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cnn(CCF)c1 ZINC000908932397 691755170 /nfs/dbraw/zinc/75/51/70/691755170.db2.gz WWEQSBBHXCQEBN-UHFFFAOYSA-N -1 1 369.418 2.361 20 0 FEADMM CCN(CC)Cc1ccc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)o1 ZINC000908984231 691761704 /nfs/dbraw/zinc/76/17/04/691761704.db2.gz PNYOUQNBLAIGFH-CQSZACIVSA-N -1 1 352.431 2.217 20 0 FEADMM CN(CCNC(=O)N[C@H](C(=O)[O-])c1cccs1)Cc1ccc(F)cc1 ZINC000909096398 691777730 /nfs/dbraw/zinc/77/77/30/691777730.db2.gz UQMXLPMYVHTOJW-HNNXBMFYSA-N -1 1 365.430 2.444 20 0 FEADMM CSC[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909123996 691781886 /nfs/dbraw/zinc/78/18/86/691781886.db2.gz JDVIGCYJESNEGK-CHWSQXEVSA-N -1 1 359.879 2.058 20 0 FEADMM CN(C)[C@@H](CNC(=O)N[C@H](CF)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909130630 691782915 /nfs/dbraw/zinc/78/29/15/691782915.db2.gz PRNHXCITIZHJBG-NEPJUHHUSA-N -1 1 365.327 2.030 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000910175852 691896642 /nfs/dbraw/zinc/89/66/42/691896642.db2.gz VFLSTZJESALLJM-IGCXYCKISA-N -1 1 366.483 2.005 20 0 FEADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000910256659 691907254 /nfs/dbraw/zinc/90/72/54/691907254.db2.gz ZMUZGDMYXAMSSS-GDBMZVCRSA-N -1 1 368.861 2.283 20 0 FEADMM O=C([O-])[C@H](NC(=O)NCCN1CCc2ccccc2C1)C1CCCCC1 ZINC000780380051 939112596 /nfs/dbraw/zinc/11/25/96/939112596.db2.gz BNBIGPPZDXHRPM-GOSISDBHSA-N -1 1 359.470 2.377 20 0 FEADMM C[C@@](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)(C(=O)[O-])C1CC1 ZINC000780445843 939122799 /nfs/dbraw/zinc/12/27/99/939122799.db2.gz UCPXRAMVVXTWJY-IBGZPJMESA-N -1 1 363.433 2.343 20 0 FEADMM C[C@](NC(=O)NCCN1CCc2ccccc2C1)(C(=O)[O-])c1ccccc1 ZINC000908808714 939323988 /nfs/dbraw/zinc/32/39/88/939323988.db2.gz JFLJUCXYCGPGAO-OAQYLSRUSA-N -1 1 367.449 2.344 20 0 FEADMM O=C([O-])[C@]1(NC(=O)c2ocnc2C2CC2)CCCN(Cc2ccccc2)C1 ZINC001263629831 939829015 /nfs/dbraw/zinc/82/90/15/939829015.db2.gz QKHJMPWRVGUUBG-FQEVSTJZSA-N -1 1 369.421 2.401 20 0 FEADMM CN1CCN(Cc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)c2)CC1 ZINC000663060041 939851695 /nfs/dbraw/zinc/85/16/95/939851695.db2.gz GVCXQDANRJQURG-SFHVURJKSA-N -1 1 359.470 2.264 20 0 FEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H](C(=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000663104546 939855187 /nfs/dbraw/zinc/85/51/87/939855187.db2.gz LXMMQQYFBUWRSS-QWQRMKEZSA-N -1 1 360.454 2.023 20 0 FEADMM O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)c1cc(=O)n2[n-]cnc2n1 ZINC000549186856 674022577 /nfs/dbraw/zinc/02/25/77/674022577.db2.gz WTDPWFFZBLWTRD-UHFFFAOYSA-N -1 1 372.797 2.447 20 0 FEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)NC)c2)cc1 ZINC000007423739 539458602 /nfs/dbraw/zinc/45/86/02/539458602.db2.gz CSVZCIGHDQKAOJ-UHFFFAOYSA-N -1 1 368.480 2.266 20 0 FEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)cc1OC ZINC000015756820 539622346 /nfs/dbraw/zinc/62/23/46/539622346.db2.gz DEFJJKSMDVCYTN-UHFFFAOYSA-N -1 1 364.423 2.254 20 0 FEADMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000016101035 539627545 /nfs/dbraw/zinc/62/75/45/539627545.db2.gz LMUHUYGDSRQMBI-UHFFFAOYSA-N -1 1 363.391 2.369 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)cc1 ZINC000016096365 539627552 /nfs/dbraw/zinc/62/75/52/539627552.db2.gz ZEYZRYMDCOQGMJ-UHFFFAOYSA-N -1 1 363.391 2.451 20 0 FEADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)n1 ZINC000022931486 539703512 /nfs/dbraw/zinc/70/35/12/539703512.db2.gz ICYHRLKWQJPMJK-NSHDSACASA-N -1 1 367.471 2.027 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000024957440 539744616 /nfs/dbraw/zinc/74/46/16/539744616.db2.gz WPGWBEFWHOXGPG-UHFFFAOYSA-N -1 1 351.380 2.048 20 0 FEADMM O=C(CC[C@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000028883942 539839235 /nfs/dbraw/zinc/83/92/35/539839235.db2.gz XYLKSFPKEOFQDH-CYBMUJFWSA-N -1 1 368.455 2.074 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000029538850 539856614 /nfs/dbraw/zinc/85/66/14/539856614.db2.gz BWEKZXOMYLLPIF-SFHVURJKSA-N -1 1 372.396 2.164 20 0 FEADMM Cn1cnnc1C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000030643420 539888792 /nfs/dbraw/zinc/88/87/92/539888792.db2.gz QVCJXKICDSIAKC-UHFFFAOYSA-N -1 1 365.231 2.303 20 0 FEADMM O=S(=O)([N-]c1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccccc1 ZINC000031721472 539917001 /nfs/dbraw/zinc/91/70/01/539917001.db2.gz RGZDYLLEHVRMHQ-UHFFFAOYSA-N -1 1 366.464 2.176 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)CCOc2ccccc2)c(=O)[n-]1 ZINC000032061189 539927030 /nfs/dbraw/zinc/92/70/30/539927030.db2.gz FJEXKFZHWWOTJS-UHFFFAOYSA-N -1 1 361.467 2.270 20 0 FEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000032595005 539944150 /nfs/dbraw/zinc/94/41/50/539944150.db2.gz SJIOBZPVRZIPHB-UHFFFAOYSA-N -1 1 359.382 2.203 20 0 FEADMM Cc1nnc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1 ZINC000042127007 540052202 /nfs/dbraw/zinc/05/22/02/540052202.db2.gz ACCAOTCTQVDQMB-UHFFFAOYSA-N -1 1 372.406 2.109 20 0 FEADMM O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2ccccc2cc1[O-] ZINC000042760575 540077743 /nfs/dbraw/zinc/07/77/43/540077743.db2.gz AYPFSCSZTKIIDF-UHFFFAOYSA-N -1 1 366.421 2.060 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000042796385 540078660 /nfs/dbraw/zinc/07/86/60/540078660.db2.gz FNUWKEUPVDYDBE-UHFFFAOYSA-N -1 1 353.327 2.111 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)COC2CCCC2)c1 ZINC000045015565 540146623 /nfs/dbraw/zinc/14/66/23/540146623.db2.gz NAFDLVFOKBVWBS-UHFFFAOYSA-N -1 1 370.471 2.320 20 0 FEADMM CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801831 540141832 /nfs/dbraw/zinc/14/18/32/540141832.db2.gz QIPYKPVQEKEDLH-NSHDSACASA-N -1 1 357.476 2.172 20 0 FEADMM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nc([C@@H](C)OC)ns2)c1 ZINC000800988539 674096133 /nfs/dbraw/zinc/09/61/33/674096133.db2.gz GBCPIVSHUFFFMU-MRVPVSSYSA-N -1 1 373.431 2.431 20 0 FEADMM O=S(=O)([N-]CCCCn1ccnc1)c1sccc1Br ZINC000045113662 540204088 /nfs/dbraw/zinc/20/40/88/540204088.db2.gz JCASXZFMWJRWFI-UHFFFAOYSA-N -1 1 364.290 2.466 20 0 FEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000045740047 540224450 /nfs/dbraw/zinc/22/44/50/540224450.db2.gz XIUWFFCMJBYJRL-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000047383541 540306331 /nfs/dbraw/zinc/30/63/31/540306331.db2.gz FOXZYFGNVMYAAP-UHFFFAOYSA-N -1 1 367.354 2.420 20 0 FEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)N(C)C ZINC000048666964 540369559 /nfs/dbraw/zinc/36/95/59/540369559.db2.gz ARLSPQXDKXFDIB-ZCFIWIBFSA-N -1 1 359.662 2.402 20 0 FEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C(C)(C)C)nn2C)n1 ZINC000053359346 540528621 /nfs/dbraw/zinc/52/86/21/540528621.db2.gz VJJBNIRYGXEJBC-UHFFFAOYSA-N -1 1 363.487 2.484 20 0 FEADMM Cc1ccsc1CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000054366539 540586195 /nfs/dbraw/zinc/58/61/95/540586195.db2.gz NMXYQANNSFZQRO-UHFFFAOYSA-N -1 1 354.435 2.369 20 0 FEADMM COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1OCC(N)=O ZINC000055606322 540663901 /nfs/dbraw/zinc/66/39/01/540663901.db2.gz VEAKNYCCLNCFHK-UHFFFAOYSA-N -1 1 370.452 2.038 20 0 FEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1C ZINC000055650604 540667812 /nfs/dbraw/zinc/66/78/12/540667812.db2.gz UNDUOXFGFUHECU-UHFFFAOYSA-N -1 1 374.871 2.405 20 0 FEADMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cccc1S(N)(=O)=O ZINC000055650730 540667905 /nfs/dbraw/zinc/66/79/05/540667905.db2.gz LMVYCPJJBLWKNV-UHFFFAOYSA-N -1 1 360.844 2.097 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000538273165 540835658 /nfs/dbraw/zinc/83/56/58/540835658.db2.gz GULPVFPTTYFWBV-GFCCVEGCSA-N -1 1 361.398 2.149 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541270182 541179141 /nfs/dbraw/zinc/17/91/41/541179141.db2.gz KVPZRTQMBNFLAE-UHFFFAOYSA-N -1 1 356.382 2.079 20 0 FEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)cc1 ZINC000064475521 541207041 /nfs/dbraw/zinc/20/70/41/541207041.db2.gz MVQXRNDUJYHJNC-UHFFFAOYSA-N -1 1 371.422 2.417 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCC1 ZINC000065817597 541263441 /nfs/dbraw/zinc/26/34/41/541263441.db2.gz DHPIXKCNSNSKAD-UHFFFAOYSA-N -1 1 370.453 2.100 20 0 FEADMM CCn1c(CNC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)n[n-]c1=S ZINC000066636156 541351584 /nfs/dbraw/zinc/35/15/84/541351584.db2.gz DOYOCBKUENQJCI-CQSZACIVSA-N -1 1 373.482 2.247 20 0 FEADMM CCCC(=O)N1CCCC[C@H]1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640702 541352384 /nfs/dbraw/zinc/35/23/84/541352384.db2.gz OTGQNWMOBJMTMP-LBPRGKRZSA-N -1 1 353.492 2.319 20 0 FEADMM Cn1c(CNC(=O)CCOc2ccccc2Br)n[n-]c1=S ZINC000067050134 541410808 /nfs/dbraw/zinc/41/08/08/541410808.db2.gz PAEQQLBOSSWCJV-UHFFFAOYSA-N -1 1 371.260 2.325 20 0 FEADMM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079794 541414485 /nfs/dbraw/zinc/41/44/85/541414485.db2.gz VDKBSSCWJBCGOV-MEBBXXQBSA-N -1 1 360.439 2.163 20 0 FEADMM COC(=O)c1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)s1 ZINC000067079538 541415119 /nfs/dbraw/zinc/41/51/19/541415119.db2.gz GOLKCDKBPYFRIV-UHFFFAOYSA-N -1 1 352.441 2.096 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000067124678 541420197 /nfs/dbraw/zinc/42/01/97/541420197.db2.gz FVVBUSZYJUKUQT-UHFFFAOYSA-N -1 1 374.871 2.351 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067046325 541410409 /nfs/dbraw/zinc/41/04/09/541410409.db2.gz LSEJFEKRZVAIKP-CYBMUJFWSA-N -1 1 371.466 2.045 20 0 FEADMM Cc1ccc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1C(F)(F)F ZINC000550793114 674110631 /nfs/dbraw/zinc/11/06/31/674110631.db2.gz DOCIRUITIRPAQN-UHFFFAOYSA-N -1 1 370.356 2.470 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cnn(-c2ccccc2F)c1 ZINC000543127831 541536879 /nfs/dbraw/zinc/53/68/79/541536879.db2.gz WKWNGPIJNQTCFA-UHFFFAOYSA-N -1 1 357.345 2.174 20 0 FEADMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426986 541590010 /nfs/dbraw/zinc/59/00/10/541590010.db2.gz IEFRLOATHRXEOX-OCCSQVGLSA-N -1 1 368.503 2.158 20 0 FEADMM O=C(N=c1ncn(C2CCCCC2)[nH]1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000543388862 541585372 /nfs/dbraw/zinc/58/53/72/541585372.db2.gz YLOVWSCLMJUBIB-UHFFFAOYSA-N -1 1 354.370 2.379 20 0 FEADMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1F ZINC000068716520 541621804 /nfs/dbraw/zinc/62/18/04/541621804.db2.gz JBIBKJMDVHQPAV-UHFFFAOYSA-N -1 1 365.365 2.358 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)o1 ZINC000068938055 541642869 /nfs/dbraw/zinc/64/28/69/541642869.db2.gz AHVKASHWHMLZNY-NSHDSACASA-N -1 1 355.343 2.007 20 0 FEADMM COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nnn[n-]1 ZINC000072678412 541849470 /nfs/dbraw/zinc/84/94/70/541849470.db2.gz HUTTWESDZMFIFN-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nn[n-]n1 ZINC000072678412 541849472 /nfs/dbraw/zinc/84/94/72/541849472.db2.gz HUTTWESDZMFIFN-UHFFFAOYSA-N -1 1 361.365 2.313 20 0 FEADMM C[C@H](COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])CS(C)(=O)=O ZINC000801358237 674123971 /nfs/dbraw/zinc/12/39/71/674123971.db2.gz IPDLITKSPWISRO-SNVBAGLBSA-N -1 1 372.830 2.069 20 0 FEADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCCCCS(C)(=O)=O)n1 ZINC000801418502 674126326 /nfs/dbraw/zinc/12/63/26/674126326.db2.gz PSEQYDVCPIWZJI-UHFFFAOYSA-N -1 1 366.439 2.122 20 0 FEADMM CO[C@H](CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)C ZINC000073216080 541930372 /nfs/dbraw/zinc/93/03/72/541930372.db2.gz XODKNGIJBPUPRS-MRXNPFEDSA-N -1 1 372.469 2.250 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)O)cc1 ZINC000075237216 542162939 /nfs/dbraw/zinc/16/29/39/542162939.db2.gz MZOSICMLNNGMMS-UHFFFAOYSA-N -1 1 362.451 2.297 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)Cc3ccc(Br)s3)ccnc1-2 ZINC000801702493 674144536 /nfs/dbraw/zinc/14/45/36/674144536.db2.gz JAUPIJGIJQMSQU-UHFFFAOYSA-N -1 1 351.229 2.347 20 0 FEADMM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383459 542375249 /nfs/dbraw/zinc/37/52/49/542375249.db2.gz YUUBIQHWLORISM-LLVKDONJSA-N -1 1 366.480 2.300 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000064467726 221147223 /nfs/dbraw/zinc/14/72/23/221147223.db2.gz MPRNKJAGXMSBKR-UHFFFAOYSA-N -1 1 374.871 2.357 20 0 FEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000064467656 221147253 /nfs/dbraw/zinc/14/72/53/221147253.db2.gz UPUGHOPYTCUODC-UHFFFAOYSA-N -1 1 354.453 2.012 20 0 FEADMM COc1cnc2ccccc2c1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000801904227 674154430 /nfs/dbraw/zinc/15/44/30/674154430.db2.gz RCUFKDVVDTZPOS-UHFFFAOYSA-N -1 1 356.300 2.469 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1 ZINC000078982578 542492351 /nfs/dbraw/zinc/49/23/51/542492351.db2.gz DIRDRVWUHTURQK-UHFFFAOYSA-N -1 1 362.451 2.312 20 0 FEADMM O=C(Nc1nc[nH]n1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000072020937 221397444 /nfs/dbraw/zinc/39/74/44/221397444.db2.gz AYZYYEADBPMETN-UHFFFAOYSA-N -1 1 359.292 2.293 20 0 FEADMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000079403306 542516731 /nfs/dbraw/zinc/51/67/31/542516731.db2.gz IOHITSGATHDDAC-LLVKDONJSA-N -1 1 362.389 2.299 20 0 FEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2nnc[nH]2)CC1 ZINC000082981192 542687211 /nfs/dbraw/zinc/68/72/11/542687211.db2.gz IPOVEQUXJHEUJS-UHFFFAOYSA-N -1 1 351.204 2.293 20 0 FEADMM Cc1nc(-c2cccc(NC(=O)NCCn3c(C)n[n-]c3=S)c2)n[nH]1 ZINC000084321412 542711419 /nfs/dbraw/zinc/71/14/19/542711419.db2.gz OZMRROQGOSNSOE-UHFFFAOYSA-N -1 1 358.431 2.164 20 0 FEADMM COC(=O)c1cccc(CCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000092614924 542874605 /nfs/dbraw/zinc/87/46/05/542874605.db2.gz IHGCHOZNLKUKOK-UHFFFAOYSA-N -1 1 371.437 2.135 20 0 FEADMM CNC(=O)c1ccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000097100092 543004258 /nfs/dbraw/zinc/00/42/58/543004258.db2.gz BYVYHCUKYPUGOS-UHFFFAOYSA-N -1 1 370.453 2.008 20 0 FEADMM CCN(CCO)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000098075304 543020150 /nfs/dbraw/zinc/02/01/50/543020150.db2.gz OTXFHEKHGQRWSX-UHFFFAOYSA-N -1 1 362.451 2.250 20 0 FEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1S(N)(=O)=O ZINC000105591500 543177706 /nfs/dbraw/zinc/17/77/06/543177706.db2.gz BJIPXUUPBBHOFQ-UHFFFAOYSA-N -1 1 372.443 2.145 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)n1 ZINC000107765556 543278111 /nfs/dbraw/zinc/27/81/11/543278111.db2.gz WGBHZNHXYOANPC-ZIAGYGMSSA-N -1 1 356.407 2.104 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)[n-]1 ZINC000107765556 543278114 /nfs/dbraw/zinc/27/81/14/543278114.db2.gz WGBHZNHXYOANPC-ZIAGYGMSSA-N -1 1 356.407 2.104 20 0 FEADMM Cc1noc([C@@H](C)N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000111621115 543409436 /nfs/dbraw/zinc/40/94/36/543409436.db2.gz OFQPLCXWHWRJKY-SNVBAGLBSA-N -1 1 350.806 2.256 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2CCc2ccccc2)n1 ZINC000113421852 543487164 /nfs/dbraw/zinc/48/71/64/543487164.db2.gz ZRBIQUBXJLHSRC-UHFFFAOYSA-N -1 1 370.434 2.246 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2CCc2ccccc2)[n-]1 ZINC000113421852 543487166 /nfs/dbraw/zinc/48/71/66/543487166.db2.gz ZRBIQUBXJLHSRC-UHFFFAOYSA-N -1 1 370.434 2.246 20 0 FEADMM COc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)ccn1 ZINC000114056865 543503469 /nfs/dbraw/zinc/50/34/69/543503469.db2.gz NCAJZVDMDPEILT-VIFPVBQESA-N -1 1 366.424 2.241 20 0 FEADMM COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114412298 543513915 /nfs/dbraw/zinc/51/39/15/543513915.db2.gz UFZMGIXREDWEDD-LSDHHAIUSA-N -1 1 366.421 2.068 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC000115386452 543564091 /nfs/dbraw/zinc/56/40/91/543564091.db2.gz DLQFMAQZCSXRTH-HNNXBMFYSA-N -1 1 350.422 2.376 20 0 FEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)c1Cl ZINC000115582846 543575255 /nfs/dbraw/zinc/57/52/55/543575255.db2.gz RMIXIZUAZAQUBD-GFCCVEGCSA-N -1 1 354.863 2.021 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCc2ccccc2C1 ZINC000117600436 543636084 /nfs/dbraw/zinc/63/60/84/543636084.db2.gz OVWYNFUBFKZUMM-SFHVURJKSA-N -1 1 374.444 2.357 20 0 FEADMM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1cccc(-n2cnnn2)c1 ZINC000122256222 543705185 /nfs/dbraw/zinc/70/51/85/543705185.db2.gz NMIUSGVQIKAVQF-UHFFFAOYSA-N -1 1 368.378 2.118 20 0 FEADMM C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)[S@@](C)=O ZINC000124168910 543804276 /nfs/dbraw/zinc/80/42/76/543804276.db2.gz QYGJRORRPVODHT-DDNLTXGXSA-N -1 1 350.314 2.490 20 0 FEADMM CCCc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cnn1Cc1ccccc1 ZINC000124201527 543806809 /nfs/dbraw/zinc/80/68/09/543806809.db2.gz FOWMTRSFSJOWRV-CQSZACIVSA-N -1 1 367.457 2.273 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1Cl)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127156347 543976118 /nfs/dbraw/zinc/97/61/18/543976118.db2.gz FUKHHQPGAXGWCO-MRVPVSSYSA-N -1 1 354.819 2.136 20 0 FEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)cc1Cl ZINC000127172721 543977008 /nfs/dbraw/zinc/97/70/08/543977008.db2.gz HOLAUVHMLDBVCQ-UHFFFAOYSA-N -1 1 354.819 2.056 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)CO)cc1 ZINC000126685237 543950626 /nfs/dbraw/zinc/95/06/26/543950626.db2.gz CZCYYWWVYYUUGE-AWEZNQCLSA-N -1 1 362.451 2.249 20 0 FEADMM CCc1nc(CN2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)no1 ZINC000126690582 543951274 /nfs/dbraw/zinc/95/12/74/543951274.db2.gz AUTVBLPYWSZFMJ-UHFFFAOYSA-N -1 1 366.421 2.449 20 0 FEADMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129603754 544120302 /nfs/dbraw/zinc/12/03/02/544120302.db2.gz JEVWQDMNXQCCNV-MRVPVSSYSA-N -1 1 360.844 2.413 20 0 FEADMM C[C@H]1CN(c2ccc(CNC(=O)c3c([O-])cccc3F)cn2)C[C@H](C)O1 ZINC000130470046 544152563 /nfs/dbraw/zinc/15/25/63/544152563.db2.gz RDBBXLYAMKTRBI-STQMWFEESA-N -1 1 359.401 2.470 20 0 FEADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000131063754 544175851 /nfs/dbraw/zinc/17/58/51/544175851.db2.gz JFBILMYALUMCOG-TXEJJXNPSA-N -1 1 364.870 2.257 20 0 FEADMM Cc1oc(C(=O)Nc2c([O-])cccc2F)cc1S(=O)(=O)N1CCCC1 ZINC000097589311 222194618 /nfs/dbraw/zinc/19/46/18/222194618.db2.gz FXUMKIQQRRGRMM-UHFFFAOYSA-N -1 1 368.386 2.470 20 0 FEADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000132961122 544250096 /nfs/dbraw/zinc/25/00/96/544250096.db2.gz YHPAIQGRPLIFAB-UHFFFAOYSA-N -1 1 357.840 2.471 20 0 FEADMM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccn3)n2)c1 ZINC000133152359 544258105 /nfs/dbraw/zinc/25/81/05/544258105.db2.gz RJPHUNQDASYMFS-LLVKDONJSA-N -1 1 360.395 2.180 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1S(C)(=O)=O ZINC000134627763 544315621 /nfs/dbraw/zinc/31/56/21/544315621.db2.gz INCBNMNFWLDTPO-UHFFFAOYSA-N -1 1 361.391 2.478 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000134278262 544301088 /nfs/dbraw/zinc/30/10/88/544301088.db2.gz QOBJQIOCJPXOKB-UHFFFAOYSA-N -1 1 372.375 2.045 20 0 FEADMM C[C@@H](O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000136040613 544365435 /nfs/dbraw/zinc/36/54/35/544365435.db2.gz PKTOEIPGNGGTHY-GFCCVEGCSA-N -1 1 366.414 2.127 20 0 FEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000150784657 544470890 /nfs/dbraw/zinc/47/08/90/544470890.db2.gz LALUDDJRVKJQLG-NSHDSACASA-N -1 1 369.389 2.192 20 0 FEADMM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](CN2CCOCC2)C1 ZINC000151285294 544524472 /nfs/dbraw/zinc/52/44/72/544524472.db2.gz ULEVQQAOWBPSOD-LBPRGKRZSA-N -1 1 356.825 2.369 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ncccc2C)C(C)C)co1 ZINC000152022548 544607189 /nfs/dbraw/zinc/60/71/89/544607189.db2.gz OWBRBTXLXOBDOE-CQSZACIVSA-N -1 1 351.428 2.018 20 0 FEADMM Cc1ccnc2nc(C(=O)[N-]c3nnc(/C=C/c4ccco4)s3)nn21 ZINC000152405926 544649672 /nfs/dbraw/zinc/64/96/72/544649672.db2.gz OECWGJTZEOTJIK-SNAWJCMRSA-N -1 1 353.367 2.300 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)co1 ZINC000152445443 544653698 /nfs/dbraw/zinc/65/36/98/544653698.db2.gz NFUGVRXDFGJOHR-UHFFFAOYSA-N -1 1 354.403 2.034 20 0 FEADMM CCC[C@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1nn[n-]n1 ZINC000152568459 544669082 /nfs/dbraw/zinc/66/90/82/544669082.db2.gz OGCJNEHJTKMOGP-LBPRGKRZSA-N -1 1 365.825 2.218 20 0 FEADMM COc1cccc([C@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCO2)c1 ZINC000152730567 544689181 /nfs/dbraw/zinc/68/91/81/544689181.db2.gz MBXZQKJZAQKEEF-QGZVFWFLSA-N -1 1 365.389 2.145 20 0 FEADMM COc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000153695571 544810151 /nfs/dbraw/zinc/81/01/51/544810151.db2.gz MFGAWUNNVBYFKR-SECBINFHSA-N -1 1 352.740 2.421 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)c1 ZINC000153567304 544793324 /nfs/dbraw/zinc/79/33/24/544793324.db2.gz AWEZSRKPZQBBCF-LBPRGKRZSA-N -1 1 356.425 2.261 20 0 FEADMM COc1ccc([C@@H](CNC(=O)c2ccc([O-])cc2F)N2CCOCC2)cc1 ZINC000181050608 327714203 /nfs/dbraw/zinc/71/42/03/327714203.db2.gz MVBPIYKXWLBDNB-LJQANCHMSA-N -1 1 374.412 2.343 20 0 FEADMM CCn1cc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cn1 ZINC000181219013 327720931 /nfs/dbraw/zinc/72/09/31/327720931.db2.gz ADMJLHYBWXUBCQ-UHFFFAOYSA-N -1 1 351.428 2.256 20 0 FEADMM CC[C@]([N-]S(=O)(=O)c1sccc1Br)(C(N)=O)C(C)C ZINC000181527736 327734434 /nfs/dbraw/zinc/73/44/34/327734434.db2.gz ZTMKMSJOQWUXFD-LLVKDONJSA-N -1 1 369.306 2.079 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccco1 ZINC000182093519 327760782 /nfs/dbraw/zinc/76/07/82/327760782.db2.gz OAIJMVJICBRKLT-JTQLQIEISA-N -1 1 350.318 2.359 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183081674 327800380 /nfs/dbraw/zinc/80/03/80/327800380.db2.gz JEZDYRWUPNYTOS-CQSZACIVSA-N -1 1 360.458 2.447 20 0 FEADMM CCN1CCN(C(=O)c2cccc(I)c2[O-])[C@@H](C)C1 ZINC000804379467 674283606 /nfs/dbraw/zinc/28/36/06/674283606.db2.gz LSXMLZXUJHEVDT-JTQLQIEISA-N -1 1 374.222 2.163 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)o1 ZINC000184938737 327890824 /nfs/dbraw/zinc/89/08/24/327890824.db2.gz BSDRULCMVLJRBE-SNVBAGLBSA-N -1 1 370.377 2.096 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)[C@@H](C)CC ZINC000185861431 327936230 /nfs/dbraw/zinc/93/62/30/327936230.db2.gz DZKTUKWRMHKIFK-XHDPSFHLSA-N -1 1 354.428 2.225 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccsc3)CC2)o1 ZINC000187828454 328049117 /nfs/dbraw/zinc/04/91/17/328049117.db2.gz HXRIMHGUDMQAAE-UHFFFAOYSA-N -1 1 354.453 2.269 20 0 FEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000188468785 328088926 /nfs/dbraw/zinc/08/89/26/328088926.db2.gz CMAXRSJKGRUZDG-UHFFFAOYSA-N -1 1 372.381 2.182 20 0 FEADMM COc1cnccc1[C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000189690652 328162363 /nfs/dbraw/zinc/16/23/63/328162363.db2.gz XZPPCOAEOVXQCH-LBPRGKRZSA-N -1 1 369.425 2.265 20 0 FEADMM Cc1c(Br)cccc1CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000190215765 328194786 /nfs/dbraw/zinc/19/47/86/328194786.db2.gz YMYCLVMUBAQJTG-VIFPVBQESA-N -1 1 352.236 2.075 20 0 FEADMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190646937 328221820 /nfs/dbraw/zinc/22/18/20/328221820.db2.gz JJPXBCYIZXEWIS-IRXDYDNUSA-N -1 1 374.462 2.377 20 0 FEADMM CCc1ccc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)c([O-])c1 ZINC000191670890 328276647 /nfs/dbraw/zinc/27/66/47/328276647.db2.gz UWUKFZXFPSSRQZ-UHFFFAOYSA-N -1 1 374.462 2.408 20 0 FEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000192714699 328335072 /nfs/dbraw/zinc/33/50/72/328335072.db2.gz KGKZJEFNVYMGKB-UHFFFAOYSA-N -1 1 370.862 2.193 20 0 FEADMM C[C@@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)N(C)CC(F)(F)F ZINC000193749943 328393129 /nfs/dbraw/zinc/39/31/29/328393129.db2.gz OKEAEMYSIJQBAD-QMMMGPOBSA-N -1 1 371.356 2.018 20 0 FEADMM Cc1cc(C)c(S(=O)(=O)NCCN2CCC(C)CC2)cc1C(=O)[O-] ZINC000194155090 328413349 /nfs/dbraw/zinc/41/33/49/328413349.db2.gz RQLNTLWLYYBZOY-UHFFFAOYSA-N -1 1 354.472 2.012 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)c(F)c1 ZINC000194639866 328433880 /nfs/dbraw/zinc/43/38/80/328433880.db2.gz MDHIIBAJDRTCNO-UHFFFAOYSA-N -1 1 362.382 2.302 20 0 FEADMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000228610901 328485554 /nfs/dbraw/zinc/48/55/54/328485554.db2.gz VUAZQLODDARXDB-VIFPVBQESA-N -1 1 371.684 2.183 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)cc1 ZINC000064475240 324872510 /nfs/dbraw/zinc/87/25/10/324872510.db2.gz JFRFMZPMNSYRCY-UHFFFAOYSA-N -1 1 361.452 2.400 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000076653174 324957918 /nfs/dbraw/zinc/95/79/18/324957918.db2.gz TXHIFLKSXGPGON-WCQYABFASA-N -1 1 366.414 2.345 20 0 FEADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000078502184 325048636 /nfs/dbraw/zinc/04/86/36/325048636.db2.gz PSZIIRVXZKWIHG-GWCFXTLKSA-N -1 1 359.455 2.045 20 0 FEADMM CCS(=O)(=O)N1CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000078743705 325059828 /nfs/dbraw/zinc/05/98/28/325059828.db2.gz ULLJSFLNOOLJDG-UHFFFAOYSA-N -1 1 362.451 2.089 20 0 FEADMM COC(=O)c1ccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000080542796 325135670 /nfs/dbraw/zinc/13/56/70/325135670.db2.gz SJQIPONDVXYMBA-UHFFFAOYSA-N -1 1 371.437 2.435 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000080651702 325139294 /nfs/dbraw/zinc/13/92/94/325139294.db2.gz HDNKCLBABHKKSJ-UHFFFAOYSA-N -1 1 352.398 2.413 20 0 FEADMM C[C@H](CCO)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000081002317 325152891 /nfs/dbraw/zinc/15/28/91/325152891.db2.gz YLJAYLLNOVTBFY-SNVBAGLBSA-N -1 1 357.382 2.343 20 0 FEADMM Cc1ccc2c(c1)N(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)C[C@H](C)O2 ZINC000081389156 325173029 /nfs/dbraw/zinc/17/30/29/325173029.db2.gz YCKBKFYCHFBARC-LBPRGKRZSA-N -1 1 366.421 2.304 20 0 FEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(CC)CC ZINC000081816952 325199642 /nfs/dbraw/zinc/19/96/42/325199642.db2.gz VLOBKQJMHYNIKV-KGLIPLIRSA-N -1 1 372.487 2.244 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1sccc1Br ZINC000085988610 325261781 /nfs/dbraw/zinc/26/17/81/325261781.db2.gz QLBCCZURCVTSQZ-WCBMZHEXSA-N -1 1 354.291 2.340 20 0 FEADMM O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cc(F)ccc1[O-] ZINC000091682899 325389627 /nfs/dbraw/zinc/38/96/27/325389627.db2.gz FQCXQHHXJLALNC-UHFFFAOYSA-N -1 1 364.398 2.472 20 0 FEADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H]1CCOC1 ZINC000106840296 325612640 /nfs/dbraw/zinc/61/26/40/325612640.db2.gz HOYHSPUEISJXDD-INIZCTEOSA-N -1 1 360.435 2.348 20 0 FEADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCOC1 ZINC000106848557 325612943 /nfs/dbraw/zinc/61/29/43/325612943.db2.gz UXWHYTUVQCNGFG-INIZCTEOSA-N -1 1 360.435 2.348 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000114156177 325875116 /nfs/dbraw/zinc/87/51/16/325875116.db2.gz HCOHGRHSSXSUOE-UHFFFAOYSA-N -1 1 354.385 2.127 20 0 FEADMM CSc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)nc1 ZINC000116242047 326001289 /nfs/dbraw/zinc/00/12/89/326001289.db2.gz SGVYKTVXHXJIHV-UHFFFAOYSA-N -1 1 367.434 2.438 20 0 FEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1 ZINC000116601864 326027122 /nfs/dbraw/zinc/02/71/22/326027122.db2.gz ORCDZKXCIJRZIX-UHFFFAOYSA-N -1 1 357.391 2.460 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC[C@@H](C)O)cc2)cc1 ZINC000118720187 326098778 /nfs/dbraw/zinc/09/87/78/326098778.db2.gz HMKSZQCEIXINJB-CQSZACIVSA-N -1 1 362.451 2.297 20 0 FEADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1c([O-])cccc1F ZINC000119246038 326140956 /nfs/dbraw/zinc/14/09/56/326140956.db2.gz WNSTZSBOSILAJX-CYBMUJFWSA-N -1 1 350.415 2.396 20 0 FEADMM Cn1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000120058548 326226415 /nfs/dbraw/zinc/22/64/15/326226415.db2.gz UTIFZWNIKGYOLB-UHFFFAOYSA-N -1 1 356.407 2.473 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCO)ccc2C)cc1 ZINC000120396519 326255181 /nfs/dbraw/zinc/25/51/81/326255181.db2.gz GFFFVHLANOJIMW-UHFFFAOYSA-N -1 1 362.451 2.169 20 0 FEADMM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120678956 326278150 /nfs/dbraw/zinc/27/81/50/326278150.db2.gz UOQWCCDPIZOCNW-SNVBAGLBSA-N -1 1 358.204 2.023 20 0 FEADMM O=C(CCNC(=O)c1ccc(C(F)(F)F)cc1[O-])NCc1ccccn1 ZINC000123047716 326418673 /nfs/dbraw/zinc/41/86/73/326418673.db2.gz BHCSAWCDRYRZOL-UHFFFAOYSA-N -1 1 367.327 2.242 20 0 FEADMM COc1ccc(CCNC(=O)c2c(C)[n-]c(=O)nc2SC)c(Cl)c1 ZINC000123181640 326422608 /nfs/dbraw/zinc/42/26/08/326422608.db2.gz DOOFKZCQXXQKME-UHFFFAOYSA-N -1 1 367.858 2.435 20 0 FEADMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)[S@](C)=O ZINC000124168297 326448840 /nfs/dbraw/zinc/44/88/40/326448840.db2.gz QYGJRORRPVODHT-QVHKOIDPSA-N -1 1 350.314 2.490 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2ccccn21)c1c(F)cccc1Cl ZINC000132952392 326600544 /nfs/dbraw/zinc/60/05/44/326600544.db2.gz LDBOSKWHIQLAAD-UHFFFAOYSA-N -1 1 368.821 2.433 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000133004076 326601519 /nfs/dbraw/zinc/60/15/19/326601519.db2.gz NKFWORCCGUGJQW-UHFFFAOYSA-N -1 1 359.375 2.095 20 0 FEADMM Cc1[nH]n(C)c2nnc(NC(=O)c3cc(Br)ccc3[O-])c1-2 ZINC000133223534 326605127 /nfs/dbraw/zinc/60/51/27/326605127.db2.gz WGTCBIPOKAEWPS-UHFFFAOYSA-N -1 1 350.176 2.325 20 0 FEADMM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000133393470 326608118 /nfs/dbraw/zinc/60/81/18/326608118.db2.gz ZQYQLSKRGSICOE-LURJTMIESA-N -1 1 366.313 2.156 20 0 FEADMM CCC[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000134274604 326622728 /nfs/dbraw/zinc/62/27/28/326622728.db2.gz BSWGJWILGCAPPW-CRAIPNDOSA-N -1 1 370.449 2.427 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@]1(C)CCCS1 ZINC000154161576 326752859 /nfs/dbraw/zinc/75/28/59/326752859.db2.gz XJXRSILDBLAANC-IBGZPJMESA-N -1 1 372.494 2.475 20 0 FEADMM COCCS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccs1 ZINC000154437303 326760015 /nfs/dbraw/zinc/76/00/15/326760015.db2.gz SJMOXIAYRGRRIL-UHFFFAOYSA-N -1 1 354.453 2.317 20 0 FEADMM COc1cccc(COCC[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000154703361 326766866 /nfs/dbraw/zinc/76/68/66/326766866.db2.gz PQJFFQSUBVVLFH-UHFFFAOYSA-N -1 1 357.378 2.469 20 0 FEADMM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1[O-] ZINC000155504545 326790643 /nfs/dbraw/zinc/79/06/43/326790643.db2.gz DEGPFUSJRUSRCX-SNVBAGLBSA-N -1 1 350.724 2.329 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1(c2cccc(F)c2)CC1 ZINC000156519935 326834198 /nfs/dbraw/zinc/83/41/98/326834198.db2.gz VRQDDXNETXRGDS-UHFFFAOYSA-N -1 1 354.385 2.127 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCn2c3ccccc3nc21 ZINC000171018749 327112785 /nfs/dbraw/zinc/11/27/85/327112785.db2.gz VSDBBBNKELJKFS-UHFFFAOYSA-N -1 1 370.434 2.458 20 0 FEADMM COC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000171318960 327131914 /nfs/dbraw/zinc/13/19/14/327131914.db2.gz YXAOSWOPBWSSMT-HNNXBMFYSA-N -1 1 361.467 2.237 20 0 FEADMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000172367022 327197982 /nfs/dbraw/zinc/19/79/82/327197982.db2.gz FHOOWDSRWNFNJO-KRWDZBQOSA-N -1 1 366.483 2.479 20 0 FEADMM Cc1cc(C(=O)N2CCCCc3ccccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172602868 327210605 /nfs/dbraw/zinc/21/06/05/327210605.db2.gz RCCVHNKQKIJXSF-UHFFFAOYSA-N -1 1 350.378 2.315 20 0 FEADMM Cc1cc(C(=O)N2CCCCc3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000172602868 327210606 /nfs/dbraw/zinc/21/06/06/327210606.db2.gz RCCVHNKQKIJXSF-UHFFFAOYSA-N -1 1 350.378 2.315 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)o1 ZINC000172829391 327221213 /nfs/dbraw/zinc/22/12/13/327221213.db2.gz ISUGDRPXTZARJU-UHFFFAOYSA-N -1 1 364.301 2.181 20 0 FEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000172893993 327225407 /nfs/dbraw/zinc/22/54/07/327225407.db2.gz ZQSGDMZKDJFVSC-UHFFFAOYSA-N -1 1 362.386 2.432 20 0 FEADMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000173471377 327259606 /nfs/dbraw/zinc/25/96/06/327259606.db2.gz FYHLXFORYATASI-MRVPVSSYSA-N -1 1 361.389 2.364 20 0 FEADMM CCc1nnnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000174258585 327315923 /nfs/dbraw/zinc/31/59/23/327315923.db2.gz ZZAVBFCILUGNEP-UHFFFAOYSA-N -1 1 361.402 2.473 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000176132743 327436529 /nfs/dbraw/zinc/43/65/29/327436529.db2.gz SITWKEAFIISDQZ-UHFFFAOYSA-N -1 1 374.407 2.132 20 0 FEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000263217884 328926028 /nfs/dbraw/zinc/92/60/28/328926028.db2.gz OKHQIGXCZSZRCD-DTWKUNHWSA-N -1 1 367.345 2.142 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000264232131 329002701 /nfs/dbraw/zinc/00/27/01/329002701.db2.gz MROCNTCDTBNBBM-NSHDSACASA-N -1 1 356.401 2.241 20 0 FEADMM COc1ccc(NC(=O)NCc2ncccc2C)cc1[N-]S(C)(=O)=O ZINC000264367340 329015105 /nfs/dbraw/zinc/01/51/05/329015105.db2.gz CSHZGPOLJQYUSX-UHFFFAOYSA-N -1 1 364.427 2.092 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)o1 ZINC000264579303 329037710 /nfs/dbraw/zinc/03/77/10/329037710.db2.gz JFRQPYUPRVMJQQ-LBPRGKRZSA-N -1 1 371.411 2.351 20 0 FEADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc([O-])c(Cl)c1 ZINC000264930371 329075732 /nfs/dbraw/zinc/07/57/32/329075732.db2.gz NPGPCEIIUYOYLT-UHFFFAOYSA-N -1 1 351.790 2.239 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(CNC(C)=O)cc2)c(=O)[n-]1 ZINC000264996551 329081730 /nfs/dbraw/zinc/08/17/30/329081730.db2.gz JCQIVJSADAXPRJ-UHFFFAOYSA-N -1 1 374.466 2.420 20 0 FEADMM CCn1nc(C)c(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1C ZINC000266073012 329187378 /nfs/dbraw/zinc/18/73/78/329187378.db2.gz LOMOMHBXTDUHSH-UHFFFAOYSA-N -1 1 367.427 2.174 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC[C@H](O)c1ccccc1 ZINC000266432409 329222486 /nfs/dbraw/zinc/22/24/86/329222486.db2.gz RPKRXTGYGCLCPQ-KRWDZBQOSA-N -1 1 368.437 2.224 20 0 FEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cncc(C)c2)c1 ZINC000266621306 329242566 /nfs/dbraw/zinc/24/25/66/329242566.db2.gz SWZQZSPNLBRJHM-UHFFFAOYSA-N -1 1 363.439 2.378 20 0 FEADMM CCOc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000266633017 329243945 /nfs/dbraw/zinc/24/39/45/329243945.db2.gz VQANGMOMSYQLTN-UHFFFAOYSA-N -1 1 367.427 2.437 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)o1 ZINC000266899762 329270658 /nfs/dbraw/zinc/27/06/58/329270658.db2.gz HCSJCCDVUFZXJO-UKRRQHHQSA-N -1 1 362.451 2.281 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)o1 ZINC000266899760 329270709 /nfs/dbraw/zinc/27/07/09/329270709.db2.gz HCSJCCDVUFZXJO-HIFRSBDPSA-N -1 1 362.451 2.281 20 0 FEADMM COc1ccc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1[N-]S(C)(=O)=O ZINC000266968408 329278263 /nfs/dbraw/zinc/27/82/63/329278263.db2.gz MXKCEWNOCBJXNA-LLVKDONJSA-N -1 1 371.459 2.098 20 0 FEADMM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OC)c(OC)c1 ZINC000267185634 329300456 /nfs/dbraw/zinc/30/04/56/329300456.db2.gz IYJGZLDEABOHJR-SECBINFHSA-N -1 1 367.295 2.325 20 0 FEADMM COc1cccc(OCCCNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000267198611 329301779 /nfs/dbraw/zinc/30/17/79/329301779.db2.gz XRBSWBOVAXFBSS-UHFFFAOYSA-N -1 1 363.439 2.420 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000267338737 329316247 /nfs/dbraw/zinc/31/62/47/329316247.db2.gz SMZFSWAQGARWGY-UHFFFAOYSA-N -1 1 362.474 2.309 20 0 FEADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC)c2)cc1 ZINC000268656518 329443226 /nfs/dbraw/zinc/44/32/26/329443226.db2.gz VXLQHCSWWVYMDV-UHFFFAOYSA-N -1 1 363.435 2.392 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)OC)c1ccco1 ZINC000270056196 329571380 /nfs/dbraw/zinc/57/13/80/329571380.db2.gz WAYBIMRNEGYHOA-ZDUSSCGKSA-N -1 1 353.396 2.041 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCc3cc(OC)ccc32)o1 ZINC000270820028 329635079 /nfs/dbraw/zinc/63/50/79/329635079.db2.gz JEIBLURHGMRYOW-UHFFFAOYSA-N -1 1 364.423 2.179 20 0 FEADMM NC(=O)CCC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000271036148 329656288 /nfs/dbraw/zinc/65/62/88/329656288.db2.gz JDENSHATIITLGE-UHFFFAOYSA-N -1 1 355.232 2.272 20 0 FEADMM O=S(=O)([N-]C[C@H](O)C1CC1)c1c(Cl)cc(F)cc1Br ZINC000271145373 329666352 /nfs/dbraw/zinc/66/63/52/329666352.db2.gz ZGEUTSJCBYAZPC-JTQLQIEISA-N -1 1 372.643 2.291 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCC(O)CC2)c1)OCC(F)(F)F ZINC000271299159 329681245 /nfs/dbraw/zinc/68/12/45/329681245.db2.gz UFXDZRROYZHUEJ-UHFFFAOYSA-N -1 1 362.304 2.100 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](CO)CC(C)(C)C ZINC000271473555 329696456 /nfs/dbraw/zinc/69/64/56/329696456.db2.gz DCDAOQTYYDGFFW-AWEZNQCLSA-N -1 1 358.442 2.008 20 0 FEADMM CCC[C@H](NCC(=O)NCCOc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000273195261 329844570 /nfs/dbraw/zinc/84/45/70/329844570.db2.gz OWGMRTYMMQRNKD-ZDUSSCGKSA-N -1 1 362.348 2.043 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)c(=O)[n-]1 ZINC000273327734 329856078 /nfs/dbraw/zinc/85/60/78/329856078.db2.gz OYKMQSQEVISBKA-RHSMWYFYSA-N -1 1 351.472 2.219 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000274343465 329939915 /nfs/dbraw/zinc/93/99/15/329939915.db2.gz IVVXELRGSLLEGZ-LBPRGKRZSA-N -1 1 367.471 2.406 20 0 FEADMM O=C(NCCc1cn2c(n1)SCC2)c1ccc(Br)cc1[O-] ZINC000274376539 329943176 /nfs/dbraw/zinc/94/31/76/329943176.db2.gz LVLOZGBQHAACBB-UHFFFAOYSA-N -1 1 368.256 2.429 20 0 FEADMM CCn1nccc1S(=O)(=O)[N-]c1cc(OC)ccc1Br ZINC000274475904 329952651 /nfs/dbraw/zinc/95/26/51/329952651.db2.gz WRISRTXHLFTMJH-UHFFFAOYSA-N -1 1 360.233 2.475 20 0 FEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)c(=O)[n-]1 ZINC000275526464 330059536 /nfs/dbraw/zinc/05/95/36/330059536.db2.gz YFENRMVFKBKQMN-GOEBONIOSA-N -1 1 374.466 2.187 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(-c2nc[nH]n2)c1 ZINC000367239057 330234745 /nfs/dbraw/zinc/23/47/45/330234745.db2.gz BBOMIXUUXHBJHR-UHFFFAOYSA-N -1 1 372.406 2.208 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)o1 ZINC000373634418 330247124 /nfs/dbraw/zinc/24/71/24/330247124.db2.gz DWGXDZUXIZYISO-RYUDHWBXSA-N -1 1 366.414 2.393 20 0 FEADMM COc1ccnc(NC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)n1 ZINC000377926554 330252072 /nfs/dbraw/zinc/25/20/72/330252072.db2.gz XMOSDLKHJRKLNM-UHFFFAOYSA-N -1 1 364.352 2.186 20 0 FEADMM O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(Br)c([O-])c1 ZINC000554813691 674337456 /nfs/dbraw/zinc/33/74/56/674337456.db2.gz USIRZRFZNJAVOD-NWDGAFQWSA-N -1 1 353.216 2.038 20 0 FEADMM C[C@H]1CCN(C(=O)N[C@@H]2CSC2(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805467893 674338361 /nfs/dbraw/zinc/33/83/61/674338361.db2.gz KVWAVGOFCFVRBZ-MMWGEVLESA-N -1 1 367.437 2.367 20 0 FEADMM O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cn[n-]n1 ZINC000805609301 674347561 /nfs/dbraw/zinc/34/75/61/674347561.db2.gz QERFUHBTXZCQRF-UHFFFAOYSA-N -1 1 356.161 2.036 20 0 FEADMM O=C(Nc1nc(SCCO)n[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000155300484 545507951 /nfs/dbraw/zinc/50/79/51/545507951.db2.gz COLVPFQWHOGEIW-UHFFFAOYSA-N -1 1 350.297 2.299 20 0 FEADMM Cc1cccc([C@@H](C)CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000494527379 538552785 /nfs/dbraw/zinc/55/27/85/538552785.db2.gz NKXCXUBLACOCJZ-ZDUSSCGKSA-N -1 1 360.487 2.064 20 0 FEADMM O=C(NCCO)c1ccc(=NCCCCOc2ccc(Cl)cc2)[n-]n1 ZINC000488372298 538734449 /nfs/dbraw/zinc/73/44/49/538734449.db2.gz XJBNTXDNCQWZOP-UHFFFAOYSA-N -1 1 364.833 2.123 20 0 FEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2c[nH]c(=O)c(C)c2)cc1Cl ZINC000158315723 545847304 /nfs/dbraw/zinc/84/73/04/545847304.db2.gz BHMNMTHGGBWWLW-UHFFFAOYSA-N -1 1 373.793 2.235 20 0 FEADMM C[C@H](CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)[S@@](C)=O ZINC000165953549 546155087 /nfs/dbraw/zinc/15/50/87/546155087.db2.gz UFSCJQBJLAZFOQ-SHZVTRLKSA-N -1 1 366.483 2.154 20 0 FEADMM COc1cccc(OC)c1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000479133230 561182218 /nfs/dbraw/zinc/18/22/18/561182218.db2.gz LCGYVNUHMQCKCV-UHFFFAOYSA-N -1 1 369.361 2.094 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccccc2OCC)o1 ZINC000479219323 561185017 /nfs/dbraw/zinc/18/50/17/561185017.db2.gz SGEHRWKRFJSTCM-UHFFFAOYSA-N -1 1 367.423 2.376 20 0 FEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1 ZINC000479533591 561191398 /nfs/dbraw/zinc/19/13/98/561191398.db2.gz AKTXJPRGAZCNCW-UHFFFAOYSA-N -1 1 373.427 2.429 20 0 FEADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1O ZINC000479585013 561192531 /nfs/dbraw/zinc/19/25/31/561192531.db2.gz ZKBLOYZNCRSLFR-UHFFFAOYSA-N -1 1 368.411 2.323 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000175859117 546363215 /nfs/dbraw/zinc/36/32/15/546363215.db2.gz ZLPPFSROHPICQI-ZIAGYGMSSA-N -1 1 350.440 2.161 20 0 FEADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)NC(=O)CO3)[n-]c1=O ZINC000480028364 561201557 /nfs/dbraw/zinc/20/15/57/561201557.db2.gz FQTAKKRFUZTLFM-UXBLZVDNSA-N -1 1 355.350 2.250 20 0 FEADMM C[C@@H](NC(=O)c1cnc2ccccc2c1O)C1([NH+]2CCOCC2)CCCC1 ZINC000175932064 546374536 /nfs/dbraw/zinc/37/45/36/546374536.db2.gz GISYCHKMWHIQIS-OAHLLOKOSA-N -1 1 369.465 2.291 20 0 FEADMM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000176582851 546464597 /nfs/dbraw/zinc/46/45/97/546464597.db2.gz IIMAEXLGBYIEAT-NSHDSACASA-N -1 1 369.450 2.377 20 0 FEADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1(C)C ZINC000176664327 546473813 /nfs/dbraw/zinc/47/38/13/546473813.db2.gz RVICODIMHSHQTH-KGLIPLIRSA-N -1 1 372.487 2.244 20 0 FEADMM CCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nn[n-]n1 ZINC000176755201 546484285 /nfs/dbraw/zinc/48/42/85/546484285.db2.gz HYJPUQOXWMNKTJ-MRXNPFEDSA-N -1 1 353.430 2.202 20 0 FEADMM CCC[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1nn[n-]n1 ZINC000176766091 546485459 /nfs/dbraw/zinc/48/54/59/546485459.db2.gz AHYYTMXPQPXRJM-JTQLQIEISA-N -1 1 361.431 2.292 20 0 FEADMM CCC[C@H](NC(=O)CCNc1cc(Cl)ccc1OC)c1nn[n-]n1 ZINC000176786111 546488042 /nfs/dbraw/zinc/48/80/42/546488042.db2.gz SUVIQHKIKDMORB-NSHDSACASA-N -1 1 352.826 2.321 20 0 FEADMM COc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(OC2CCCC2)c1 ZINC000480554424 561211777 /nfs/dbraw/zinc/21/17/77/561211777.db2.gz MCRBJIIGMCKWJP-LBPRGKRZSA-N -1 1 359.430 2.405 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)o1 ZINC000480854846 561218388 /nfs/dbraw/zinc/21/83/88/561218388.db2.gz UCZRXOADQSCRNF-GFCCVEGCSA-N -1 1 351.380 2.128 20 0 FEADMM CCC[C@H](NC(=O)COc1ccccc1OCC(F)(F)F)c1nn[n-]n1 ZINC000177654582 546661090 /nfs/dbraw/zinc/66/10/90/546661090.db2.gz CSIYGSBDTNKGOK-JTQLQIEISA-N -1 1 373.335 2.177 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCOC2(C1)CCCCCC2 ZINC000178023066 546723697 /nfs/dbraw/zinc/72/36/97/546723697.db2.gz VWWSFUBRCQVPKL-UHFFFAOYSA-N -1 1 351.472 2.366 20 0 FEADMM O=S(=O)([N-]CCCc1nnc2ccccn21)c1cc(F)c(F)cc1F ZINC000481461041 561233216 /nfs/dbraw/zinc/23/32/16/561233216.db2.gz FNYSZXPZGWPFRN-UHFFFAOYSA-N -1 1 370.356 2.058 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)N2CCOc3cc(F)ccc32)ccc1[O-] ZINC000481615454 561237480 /nfs/dbraw/zinc/23/74/80/561237480.db2.gz NDYQCGMDFXNEFZ-UHFFFAOYSA-N -1 1 366.370 2.077 20 0 FEADMM O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000179019826 546887698 /nfs/dbraw/zinc/88/76/98/546887698.db2.gz FINXYJSXAUPNDE-OAHLLOKOSA-N -1 1 364.398 2.145 20 0 FEADMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2nc1C1CC1 ZINC000179260296 546920806 /nfs/dbraw/zinc/92/08/06/546920806.db2.gz YAZFETYPDYEOAW-UHFFFAOYSA-N -1 1 370.434 2.350 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000179537075 546973024 /nfs/dbraw/zinc/97/30/24/546973024.db2.gz WKUOLXGMMGQMPG-UWVGGRQHSA-N -1 1 368.361 2.060 20 0 FEADMM Cc1ccc(CCCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000179540651 546974700 /nfs/dbraw/zinc/97/47/00/546974700.db2.gz GEGAOKLUBVBZKH-UHFFFAOYSA-N -1 1 354.453 2.371 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)cc1 ZINC000179725717 547004585 /nfs/dbraw/zinc/00/45/85/547004585.db2.gz RRYCQXKZMLHSOR-UHFFFAOYSA-N -1 1 373.438 2.465 20 0 FEADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000181095376 547249909 /nfs/dbraw/zinc/24/99/09/547249909.db2.gz ULLMKYCGBDPFMU-UHFFFAOYSA-N -1 1 366.406 2.320 20 0 FEADMM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc([O-])cc1F)CC2 ZINC000181236250 547277382 /nfs/dbraw/zinc/27/73/82/547277382.db2.gz FIELZPIBGVSRJG-UHFFFAOYSA-N -1 1 364.398 2.032 20 0 FEADMM CCC[C@H](NC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1nn[n-]n1 ZINC000182149461 547444486 /nfs/dbraw/zinc/44/44/86/547444486.db2.gz SHMDSNWIUOHRKN-KWQFWETISA-N -1 1 373.383 2.336 20 0 FEADMM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182292907 547468875 /nfs/dbraw/zinc/46/88/75/547468875.db2.gz LUWFEHCNTOKUKZ-QGZVFWFLSA-N -1 1 368.389 2.372 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1)c2=O ZINC000182336381 547475386 /nfs/dbraw/zinc/47/53/86/547475386.db2.gz RSAABAAOEJZHIP-KRWDZBQOSA-N -1 1 366.421 2.087 20 0 FEADMM C[C@@H](CN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nn[n-]n1 ZINC000183403186 547651840 /nfs/dbraw/zinc/65/18/40/547651840.db2.gz WUARLBUXJJVSJE-JTQLQIEISA-N -1 1 360.418 2.267 20 0 FEADMM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1[O-] ZINC000184199099 547785852 /nfs/dbraw/zinc/78/58/52/547785852.db2.gz OYJPOZWGHMKHIX-UHFFFAOYSA-N -1 1 362.183 2.254 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccc(C)c(C)c1 ZINC000184257476 547796113 /nfs/dbraw/zinc/79/61/13/547796113.db2.gz MRZXANAABQKRCB-INIZCTEOSA-N -1 1 365.455 2.273 20 0 FEADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Br)ccc1Cl ZINC000184298511 547802061 /nfs/dbraw/zinc/80/20/61/547802061.db2.gz IVZINELVNDEKGF-UHFFFAOYSA-N -1 1 364.595 2.008 20 0 FEADMM CCC[C@@H](NC(=O)c1cc(COc2ccccc2F)on1)c1nn[n-]n1 ZINC000184440409 547827646 /nfs/dbraw/zinc/82/76/46/547827646.db2.gz GGQMRHCHJNXZBG-GFCCVEGCSA-N -1 1 360.349 2.177 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000485121070 561313075 /nfs/dbraw/zinc/31/30/75/561313075.db2.gz BKVRELDIQFXBHF-UHFFFAOYSA-N -1 1 355.393 2.342 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)Cc1cccs1 ZINC000185053276 547924763 /nfs/dbraw/zinc/92/47/63/547924763.db2.gz QALAFOMTROOZME-UHFFFAOYSA-N -1 1 372.468 2.100 20 0 FEADMM O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)=NN1 ZINC000485262338 561315915 /nfs/dbraw/zinc/31/59/15/561315915.db2.gz BIDJSRZPEXHNPS-UHFFFAOYSA-N -1 1 365.361 2.380 20 0 FEADMM Cn1ccnc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000485592954 561323470 /nfs/dbraw/zinc/32/34/70/561323470.db2.gz PWISDENVDAEEMI-UHFFFAOYSA-N -1 1 370.434 2.151 20 0 FEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000187051967 548248384 /nfs/dbraw/zinc/24/83/84/548248384.db2.gz XZFMYSSFDWHPIA-UHFFFAOYSA-N -1 1 350.375 2.225 20 0 FEADMM CC(C)CCOc1ccccc1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000486289371 561343216 /nfs/dbraw/zinc/34/32/16/561343216.db2.gz DXHSIHYJGYARCB-UHFFFAOYSA-N -1 1 371.437 2.258 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Br)c2)c1 ZINC000192730895 548372321 /nfs/dbraw/zinc/37/23/21/548372321.db2.gz SOMFQVJQZIQFOV-UHFFFAOYSA-N -1 1 371.212 2.054 20 0 FEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)c1 ZINC000486505353 561349223 /nfs/dbraw/zinc/34/92/23/561349223.db2.gz SUUMGDDSRIYWGJ-UHFFFAOYSA-N -1 1 374.422 2.144 20 0 FEADMM C[C@@H]1CN(CCN(C)C(=O)c2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000194739808 548525230 /nfs/dbraw/zinc/52/52/30/548525230.db2.gz MLNHLOGFUNGOPS-TXEJJXNPSA-N -1 1 371.275 2.336 20 0 FEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000486829417 561357811 /nfs/dbraw/zinc/35/78/11/561357811.db2.gz XMTWGUDSXNEFEZ-UHFFFAOYSA-N -1 1 365.342 2.296 20 0 FEADMM CCc1cc(=O)[n-]c(S[C@@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000195075736 548573874 /nfs/dbraw/zinc/57/38/74/548573874.db2.gz KHVNJRIGMDMNAP-GFCCVEGCSA-N -1 1 368.256 2.414 20 0 FEADMM COCCCCS(=O)(=O)c1nnc(-c2ccccc2Br)[n-]1 ZINC000195110309 548578096 /nfs/dbraw/zinc/57/80/96/548578096.db2.gz CUIMHQLLYQIFIQ-UHFFFAOYSA-N -1 1 374.260 2.435 20 0 FEADMM COCCCCS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000195110309 548578099 /nfs/dbraw/zinc/57/80/99/548578099.db2.gz CUIMHQLLYQIFIQ-UHFFFAOYSA-N -1 1 374.260 2.435 20 0 FEADMM CCCCCCNC(=O)CS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195129049 548582587 /nfs/dbraw/zinc/58/25/87/548582587.db2.gz SYUFMDPCGKXSRS-UHFFFAOYSA-N -1 1 368.434 2.081 20 0 FEADMM CCCCCCNC(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195129049 548582591 /nfs/dbraw/zinc/58/25/91/548582591.db2.gz SYUFMDPCGKXSRS-UHFFFAOYSA-N -1 1 368.434 2.081 20 0 FEADMM CC(C)(C)c1nc(S(=O)(=O)CCC(=O)Nc2cccc(F)c2)n[n-]1 ZINC000195168719 548588819 /nfs/dbraw/zinc/58/88/19/548588819.db2.gz XKICXVMIIOPEBT-UHFFFAOYSA-N -1 1 354.407 2.044 20 0 FEADMM CN(C1(C)CCCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000486945368 561359932 /nfs/dbraw/zinc/35/99/32/561359932.db2.gz PALMLLYOGRTPJU-UHFFFAOYSA-N -1 1 364.464 2.150 20 0 FEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000219864539 548696917 /nfs/dbraw/zinc/69/69/17/548696917.db2.gz FFJBFHVZQOXLOB-IONNQARKSA-N -1 1 369.668 2.343 20 0 FEADMM COC[C@H](NC(=O)c1cc(I)ccc1[O-])C(C)C ZINC000234724418 548764067 /nfs/dbraw/zinc/76/40/67/548764067.db2.gz APGURVGMWMLZFV-NSHDSACASA-N -1 1 363.195 2.398 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000236567966 548767435 /nfs/dbraw/zinc/76/74/35/548767435.db2.gz REFADLVDRHXCDU-AOOOYVTPSA-N -1 1 359.163 2.000 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N(Cc1ccccc1)CC1CCC1 ZINC000487647913 561373241 /nfs/dbraw/zinc/37/32/41/561373241.db2.gz ICLMHFPHTGUQSA-UHFFFAOYSA-N -1 1 353.422 2.346 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)Cc1ccncc1 ZINC000487855975 561377420 /nfs/dbraw/zinc/37/74/20/561377420.db2.gz GCPBKXNEWPFPNW-LBPRGKRZSA-N -1 1 353.426 2.127 20 0 FEADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396330 549123873 /nfs/dbraw/zinc/12/38/73/549123873.db2.gz OTRGQAUIJKGSMV-SWHYSGLUSA-N -1 1 374.832 2.265 20 0 FEADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000246396330 549123876 /nfs/dbraw/zinc/12/38/76/549123876.db2.gz OTRGQAUIJKGSMV-SWHYSGLUSA-N -1 1 374.832 2.265 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000246752812 549204543 /nfs/dbraw/zinc/20/45/43/549204543.db2.gz XNRKRONXWURGOC-DSGZJRDPSA-N -1 1 361.467 2.453 20 0 FEADMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000246752812 549204546 /nfs/dbraw/zinc/20/45/46/549204546.db2.gz XNRKRONXWURGOC-DSGZJRDPSA-N -1 1 361.467 2.453 20 0 FEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000248855516 549514906 /nfs/dbraw/zinc/51/49/06/549514906.db2.gz DDIKDPGDLPJYTA-OLZOCXBDSA-N -1 1 354.472 2.092 20 0 FEADMM COCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H]1CCC[C@H]1C ZINC000489779755 561418981 /nfs/dbraw/zinc/41/89/81/561418981.db2.gz HMYDJPGZHAIHHP-WBMJQRKESA-N -1 1 360.458 2.258 20 0 FEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000489609413 561415395 /nfs/dbraw/zinc/41/53/95/561415395.db2.gz JWRILWKOFRVZSC-UHFFFAOYSA-N -1 1 371.317 2.250 20 0 FEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c(Cl)c1 ZINC000489709930 561417439 /nfs/dbraw/zinc/41/74/39/561417439.db2.gz SIWNERVIRIGZPB-UHFFFAOYSA-N -1 1 366.782 2.082 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC000255301542 549705650 /nfs/dbraw/zinc/70/56/50/549705650.db2.gz LZHMQFUGECSYJD-ARJAWSKDSA-N -1 1 354.385 2.498 20 0 FEADMM C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(N)=O ZINC000490076021 561425765 /nfs/dbraw/zinc/42/57/65/561425765.db2.gz ZUJLJRUDTHNKAZ-ZUZCIYMTSA-N -1 1 370.833 2.415 20 0 FEADMM Cc1cccc(OCCCNC(=O)CN2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000263130365 549880076 /nfs/dbraw/zinc/88/00/76/549880076.db2.gz NBHOZIITLBYPMZ-QGZVFWFLSA-N -1 1 362.470 2.457 20 0 FEADMM CC1CCN([C@@H](CNC(=O)c2cnc(C(=O)[O-])cn2)c2cccs2)CC1 ZINC000263184521 549883767 /nfs/dbraw/zinc/88/37/67/549883767.db2.gz HRUIUKJPKVJDKY-HNNXBMFYSA-N -1 1 374.466 2.439 20 0 FEADMM Cc1cc(NC(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000263350954 549897073 /nfs/dbraw/zinc/89/70/73/549897073.db2.gz PSHWCRWEHZZDKF-HOCLYGCPSA-N -1 1 370.453 2.470 20 0 FEADMM CCOCCN1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H]1CC ZINC000263474874 549904089 /nfs/dbraw/zinc/90/40/89/549904089.db2.gz MIBCVZKFPJUDPP-QGZVFWFLSA-N -1 1 363.458 2.027 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000268376858 550056065 /nfs/dbraw/zinc/05/60/65/550056065.db2.gz WVOPGNJPTNLQIS-UHFFFAOYSA-N -1 1 369.464 2.082 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000268626487 550095774 /nfs/dbraw/zinc/09/57/74/550095774.db2.gz NRZWNBWOQCYEFI-UHFFFAOYSA-N -1 1 367.448 2.216 20 0 FEADMM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000268796602 550117021 /nfs/dbraw/zinc/11/70/21/550117021.db2.gz OIROJAHWLRGVMM-KWQFWETISA-N -1 1 365.318 2.272 20 0 FEADMM CSc1nc2nc(C)c(CC(=O)Nc3ccc(F)cc3[O-])c(C)n2n1 ZINC000269015445 550144648 /nfs/dbraw/zinc/14/46/48/550144648.db2.gz ILWROUCXOXZNNP-UHFFFAOYSA-N -1 1 361.402 2.489 20 0 FEADMM CCn1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1C(=O)[O-] ZINC000270021910 550244160 /nfs/dbraw/zinc/24/41/60/550244160.db2.gz VXCULVCUHWZKEA-UHFFFAOYSA-N -1 1 366.395 2.102 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)c1 ZINC000270066994 550246897 /nfs/dbraw/zinc/24/68/97/550246897.db2.gz YFVACMDCTFCROH-ZDUSSCGKSA-N -1 1 371.411 2.351 20 0 FEADMM CCN(CCCO)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000270255452 550256663 /nfs/dbraw/zinc/25/66/63/550256663.db2.gz YERKUOMFJGMTQK-UHFFFAOYSA-N -1 1 362.451 2.332 20 0 FEADMM Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(F)ccc2[O-])s1 ZINC000271349240 550367424 /nfs/dbraw/zinc/36/74/24/550367424.db2.gz XIVNYBNRYQHYPI-NSHDSACASA-N -1 1 367.427 2.450 20 0 FEADMM O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1ccc2c(c1)CCCO2 ZINC000271368228 550369465 /nfs/dbraw/zinc/36/94/65/550369465.db2.gz ZVMOFRNOACPDQY-UHFFFAOYSA-N -1 1 363.439 2.430 20 0 FEADMM C[C@@H](CO)[C@@H](C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271428284 550374765 /nfs/dbraw/zinc/37/47/65/550374765.db2.gz PTIGBIXTBJGKFI-DTWKUNHWSA-N -1 1 364.320 2.250 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccccc2F)o1 ZINC000271818834 550403793 /nfs/dbraw/zinc/40/37/93/550403793.db2.gz KHROKZWKISWYCU-MEBBXXQBSA-N -1 1 371.386 2.260 20 0 FEADMM O=C(NC[C@H]1COC2(CCOCC2)O1)c1ccc(C(F)(F)F)cc1[O-] ZINC000272003664 550415905 /nfs/dbraw/zinc/41/59/05/550415905.db2.gz WWYHDGUQEJOMDN-NSHDSACASA-N -1 1 361.316 2.063 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000272479968 550452108 /nfs/dbraw/zinc/45/21/08/550452108.db2.gz MZDLSQNNQRQJRF-WBVHZDCISA-N -1 1 370.453 2.105 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000273340989 550494963 /nfs/dbraw/zinc/49/49/63/550494963.db2.gz AMZDEMQBZQOPIS-YLJYHZDGSA-N -1 1 368.437 2.169 20 0 FEADMM C[C@H](CN(C)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1nn[n-]n1 ZINC000274149266 550525499 /nfs/dbraw/zinc/52/54/99/550525499.db2.gz FNUZVDWYNADDDA-GFCCVEGCSA-N -1 1 374.445 2.351 20 0 FEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000274210296 550527949 /nfs/dbraw/zinc/52/79/49/550527949.db2.gz QFPQFRSLRJJNCF-QMMMGPOBSA-N -1 1 363.716 2.251 20 0 FEADMM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)[nH]1 ZINC000276949960 550614569 /nfs/dbraw/zinc/61/45/69/550614569.db2.gz XBZMZPBSSNWJMI-OLZOCXBDSA-N -1 1 367.446 2.452 20 0 FEADMM CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000277053854 550626535 /nfs/dbraw/zinc/62/65/35/550626535.db2.gz ZWLZBRVQOFNBPD-WPRPVWTQSA-N -1 1 358.324 2.317 20 0 FEADMM Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000277304324 550654115 /nfs/dbraw/zinc/65/41/15/550654115.db2.gz AYNYNDCQYRZDCX-QLXKLKPCSA-N -1 1 369.446 2.225 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3oc(C4CC4)nc3C)CC2)n1 ZINC000277587443 550688450 /nfs/dbraw/zinc/68/84/50/550688450.db2.gz CWXVKGAIXWOQLX-UHFFFAOYSA-N -1 1 373.413 2.175 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C=Cc3ncccc3C)CC2)n1 ZINC000277798466 550715187 /nfs/dbraw/zinc/71/51/87/550715187.db2.gz TYNXMAHPARMEDV-VOTSOKGWSA-N -1 1 369.425 2.104 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(C)(O)C2)c1 ZINC000277820813 550718108 /nfs/dbraw/zinc/71/81/08/550718108.db2.gz WLEPYNPYZIASDJ-UHFFFAOYSA-N -1 1 374.462 2.311 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cccc(OC)c3)CC2)n1 ZINC000278030667 550740972 /nfs/dbraw/zinc/74/09/72/550740972.db2.gz WSQVVTYDXNEYPO-UHFFFAOYSA-N -1 1 373.413 2.402 20 0 FEADMM COCc1nc(S(=O)(=O)Cc2nc(C3CCCCC3)cs2)n[n-]1 ZINC000278234595 550763717 /nfs/dbraw/zinc/76/37/17/550763717.db2.gz KPUNKOBYHDEDIC-UHFFFAOYSA-N -1 1 356.473 2.429 20 0 FEADMM C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(Br)ccc1[O-])CCO2 ZINC000279352692 550880534 /nfs/dbraw/zinc/88/05/34/550880534.db2.gz GHAOBFKQLKTDOJ-ZUZCIYMTSA-N -1 1 356.216 2.175 20 0 FEADMM CCOC(=O)C(=C([O-])CSc1nnnn1C(C)C)c1nc(C)cs1 ZINC000495449580 561488219 /nfs/dbraw/zinc/48/82/19/561488219.db2.gz DXDGNMQYCIXHHI-LLVKDONJSA-N -1 1 369.472 2.027 20 0 FEADMM Cc1ccc(C(=O)N[C@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C(C)C)cc1 ZINC000279752211 550925176 /nfs/dbraw/zinc/92/51/76/550925176.db2.gz LFEAPOIAMPPSIC-HEQHKCQXSA-N -1 1 365.437 2.043 20 0 FEADMM CC(C)(C)OC(=O)NCCc1nc(C(=O)[N-]c2nncs2)cs1 ZINC000279876751 550938616 /nfs/dbraw/zinc/93/86/16/550938616.db2.gz JWMRTNYJGOJQMS-UHFFFAOYSA-N -1 1 355.445 2.314 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)co1 ZINC000280155818 550966160 /nfs/dbraw/zinc/96/61/60/550966160.db2.gz BGTKYMQFRRGOEW-IUODEOHRSA-N -1 1 366.414 2.393 20 0 FEADMM O=S(=O)([N-]C[C@@H](O)C1CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000280528084 551004051 /nfs/dbraw/zinc/00/40/51/551004051.db2.gz GOBUAYUTNQIYTB-GFCCVEGCSA-N -1 1 372.245 2.198 20 0 FEADMM COCCOCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280528078 551004108 /nfs/dbraw/zinc/00/41/08/551004108.db2.gz GOADABXATKANAZ-UHFFFAOYSA-N -1 1 360.234 2.464 20 0 FEADMM O=C1CCCN1CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280651896 551017594 /nfs/dbraw/zinc/01/75/94/551017594.db2.gz WGHGAHAPFKKFDB-UHFFFAOYSA-N -1 1 369.245 2.423 20 0 FEADMM NC(=O)C1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCC1 ZINC000280662753 551018909 /nfs/dbraw/zinc/01/89/09/551018909.db2.gz XOPNZRDQNNMJSW-UHFFFAOYSA-N -1 1 369.245 2.457 20 0 FEADMM CCOc1cc(C(=O)NCC2(S(C)(=O)=O)CCC2)cc(Cl)c1[O-] ZINC000280712314 551024109 /nfs/dbraw/zinc/02/41/09/551024109.db2.gz HNGMCXMTKLDMIK-UHFFFAOYSA-N -1 1 361.847 2.141 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000280720391 551024922 /nfs/dbraw/zinc/02/49/22/551024922.db2.gz PYVLWWUBBRRYMK-JOYOIKCWSA-N -1 1 372.805 2.266 20 0 FEADMM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)Nc1c(Cl)cccc1Cl ZINC000281147155 551068080 /nfs/dbraw/zinc/06/80/80/551068080.db2.gz ZNOLAURMWIBYEA-UHFFFAOYSA-N -1 1 370.240 2.223 20 0 FEADMM O=C(C[C@@H]1COCCN1C(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000281162749 551069508 /nfs/dbraw/zinc/06/95/08/551069508.db2.gz IFOQWMFLHFKZKW-MRXNPFEDSA-N -1 1 353.374 2.075 20 0 FEADMM O=C(C[C@@H]1COCCN1C(=O)c1c(F)ccc([O-])c1F)c1ccco1 ZINC000281329571 551085294 /nfs/dbraw/zinc/08/52/94/551085294.db2.gz UCEXLYSUSTZMNI-SNVBAGLBSA-N -1 1 351.305 2.377 20 0 FEADMM COc1ccc(C(=O)[N-]C(=O)CSCCC(=O)OC(C)(C)C)cc1 ZINC000281553215 551112446 /nfs/dbraw/zinc/11/24/46/551112446.db2.gz CGIZPAJNQPSTHZ-UHFFFAOYSA-N -1 1 353.440 2.417 20 0 FEADMM CSc1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccn1 ZINC000281585606 551116461 /nfs/dbraw/zinc/11/64/61/551116461.db2.gz BXEBOYHEFYBYKQ-UHFFFAOYSA-N -1 1 361.389 2.334 20 0 FEADMM CCNc1ncc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000281952873 551162060 /nfs/dbraw/zinc/16/20/60/551162060.db2.gz JSQVMVBRFKMNHF-UHFFFAOYSA-N -1 1 364.393 2.106 20 0 FEADMM Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000282231583 551198748 /nfs/dbraw/zinc/19/87/48/551198748.db2.gz HMHJVDOVEBRLQK-QLXKLKPCSA-N -1 1 369.446 2.225 20 0 FEADMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000497582886 561504254 /nfs/dbraw/zinc/50/42/54/561504254.db2.gz RMKGCUZRFHBDKL-CQSZACIVSA-N -1 1 370.453 2.412 20 0 FEADMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000497582886 561504255 /nfs/dbraw/zinc/50/42/55/561504255.db2.gz RMKGCUZRFHBDKL-CQSZACIVSA-N -1 1 370.453 2.412 20 0 FEADMM O=C(c1cc(Cl)cc2cccnc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282887355 551281967 /nfs/dbraw/zinc/28/19/67/551281967.db2.gz KBSTUAQBWBZJKX-LLVKDONJSA-N -1 1 357.801 2.319 20 0 FEADMM Cc1ccc(C)c(C(=O)CCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282983397 551293387 /nfs/dbraw/zinc/29/33/87/551293387.db2.gz UCXJMNCPELPSLO-AWEZNQCLSA-N -1 1 356.426 2.084 20 0 FEADMM C[C@@H](C(=O)N1CCc2sccc2C1)S(=O)(=O)c1ccc([O-])cc1 ZINC000283297668 551343846 /nfs/dbraw/zinc/34/38/46/551343846.db2.gz HMZXWZPZKMCTQD-NSHDSACASA-N -1 1 351.449 2.201 20 0 FEADMM O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000283480747 551373713 /nfs/dbraw/zinc/37/37/13/551373713.db2.gz CCDYIZONENTMAX-GFCCVEGCSA-N -1 1 374.828 2.270 20 0 FEADMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000283910172 551448083 /nfs/dbraw/zinc/44/80/83/551448083.db2.gz DEBTZFWTWYDBPW-UHFFFAOYSA-N -1 1 374.344 2.122 20 0 FEADMM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CCOCC1 ZINC000285085119 551702250 /nfs/dbraw/zinc/70/22/50/551702250.db2.gz PWINVZQVDFHRNP-CQSZACIVSA-N -1 1 371.409 2.145 20 0 FEADMM CCCN(CCN1CCCC1)S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000285382081 551746841 /nfs/dbraw/zinc/74/68/41/551746841.db2.gz IYCFDNIOGLXHOX-UHFFFAOYSA-N -1 1 368.499 2.498 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccsc1)c1ccc(OC)c(F)c1 ZINC000286215045 551862226 /nfs/dbraw/zinc/86/22/26/551862226.db2.gz BFAJIJKRASSVAM-CQSZACIVSA-N -1 1 373.427 2.479 20 0 FEADMM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000286230385 551863900 /nfs/dbraw/zinc/86/39/00/551863900.db2.gz JQVGEVXKMJKVFT-HNNXBMFYSA-N -1 1 362.451 2.041 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2F)c(Br)n1C ZINC000286387927 551881915 /nfs/dbraw/zinc/88/19/15/551881915.db2.gz DNONPVZVOCHHSZ-UHFFFAOYSA-N -1 1 362.224 2.109 20 0 FEADMM CN(C)[C@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1c(F)cccc1F ZINC000287380558 551996822 /nfs/dbraw/zinc/99/68/22/551996822.db2.gz FKIRCXUJMMJIEB-CPISYKEBSA-N -1 1 374.395 2.044 20 0 FEADMM CN(C)[C@@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1c(F)cccc1F ZINC000287380560 551996839 /nfs/dbraw/zinc/99/68/39/551996839.db2.gz FKIRCXUJMMJIEB-YNNOXIHVSA-N -1 1 374.395 2.044 20 0 FEADMM O=S(=O)([N-]CC1=CCCOC1)c1cc(Br)cnc1Cl ZINC000287410077 552000698 /nfs/dbraw/zinc/00/06/98/552000698.db2.gz LKHHNXAAULLHRW-UHFFFAOYSA-N -1 1 367.652 2.123 20 0 FEADMM Cc1nc2ccccc2n1CCCNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287696500 552035362 /nfs/dbraw/zinc/03/53/62/552035362.db2.gz RICNRLJUBRLOAO-IWIPYMOSSA-N -1 1 363.425 2.212 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)s1 ZINC000287746913 552041416 /nfs/dbraw/zinc/04/14/16/552041416.db2.gz IHOMNDMLYISTLC-ZCFIWIBFSA-N -1 1 352.363 2.300 20 0 FEADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287748592 552041765 /nfs/dbraw/zinc/04/17/65/552041765.db2.gz UUGPHEAGNRWSGL-VGRSUXDHSA-N -1 1 371.466 2.304 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)ccnc1-2 ZINC000287753207 552042345 /nfs/dbraw/zinc/04/23/45/552042345.db2.gz VCFSHVKHIUOMLQ-KVCBOIKFSA-N -1 1 373.363 2.272 20 0 FEADMM Cc1cccc(CN(CC[NH+](C)C)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287768805 552044305 /nfs/dbraw/zinc/04/43/05/552044305.db2.gz WBFLPZAWDVUQQB-NKFKGCMQSA-N -1 1 366.469 2.246 20 0 FEADMM CCC[C@]1(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCOC1 ZINC000287787335 552046600 /nfs/dbraw/zinc/04/66/00/552046600.db2.gz IXWGAOOWFVQZGI-IBGZPJMESA-N -1 1 356.426 2.171 20 0 FEADMM CCOC(=O)[C@](C)(CNC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000288049653 552080905 /nfs/dbraw/zinc/08/09/05/552080905.db2.gz JEKYUCVAFQNTLA-HXUWFJFHSA-N -1 1 355.390 2.212 20 0 FEADMM Cc1c(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cnn1-c1ccccn1 ZINC000288352896 552138672 /nfs/dbraw/zinc/13/86/72/552138672.db2.gz IZPJRJIMWHCKRU-ZDUSSCGKSA-N -1 1 360.361 2.195 20 0 FEADMM Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)c(F)c1 ZINC000288373003 552142612 /nfs/dbraw/zinc/14/26/12/552142612.db2.gz JWVIZUFOUVRORQ-RDJZCZTQSA-N -1 1 351.399 2.048 20 0 FEADMM O=C([N-]C[C@H]1CCCN(C[C@@H](O)c2c(F)cccc2F)C1)C(F)(F)F ZINC000289366632 552308129 /nfs/dbraw/zinc/30/81/29/552308129.db2.gz ARYBCQGWUWHVBD-ZWNOBZJWSA-N -1 1 366.330 2.389 20 0 FEADMM CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289502916 552331989 /nfs/dbraw/zinc/33/19/89/552331989.db2.gz QDVKLRDJNWYTKR-UKRRQHHQSA-N -1 1 371.403 2.206 20 0 FEADMM CCOc1ncccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289929778 552401189 /nfs/dbraw/zinc/40/11/89/552401189.db2.gz SVDIKOHLOKSYCQ-NSHDSACASA-N -1 1 374.363 2.403 20 0 FEADMM CN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000290069670 552423012 /nfs/dbraw/zinc/42/30/12/552423012.db2.gz UCHQDTBOSMPFHJ-UHFFFAOYSA-N -1 1 350.216 2.091 20 0 FEADMM O=C(Cc1ccc(F)c(F)c1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290324497 552460212 /nfs/dbraw/zinc/46/02/12/552460212.db2.gz IUPLHUMVIZVHES-LLVKDONJSA-N -1 1 364.314 2.424 20 0 FEADMM COC(=O)CCCO[N-]C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000290421851 552476631 /nfs/dbraw/zinc/47/66/31/552476631.db2.gz AKOTYTPZPNKNNR-VIFPVBQESA-N -1 1 365.352 2.167 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1CC(F)(F)C1 ZINC000290439102 552479310 /nfs/dbraw/zinc/47/93/10/552479310.db2.gz NTCPCBAUMABFGP-UHFFFAOYSA-N -1 1 373.208 2.186 20 0 FEADMM COc1cc(OC)cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290500340 552489074 /nfs/dbraw/zinc/48/90/74/552489074.db2.gz YEGCKMKYSVQGMT-LLVKDONJSA-N -1 1 374.359 2.235 20 0 FEADMM CCc1c([N-]S(=O)(=O)CCC(=O)OC)cnn1-c1ccccc1Cl ZINC000290550516 552496757 /nfs/dbraw/zinc/49/67/57/552496757.db2.gz QKURAYQMTMPOEA-UHFFFAOYSA-N -1 1 371.846 2.393 20 0 FEADMM C=Cc1ccc(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000290957167 552568413 /nfs/dbraw/zinc/56/84/13/552568413.db2.gz AFTSNVDNLKKVSI-UHFFFAOYSA-N -1 1 350.422 2.184 20 0 FEADMM Cc1csc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000291179760 552596721 /nfs/dbraw/zinc/59/67/21/552596721.db2.gz RSMQLNHVIITRRK-SNVBAGLBSA-N -1 1 364.393 2.052 20 0 FEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)o1 ZINC000291604267 552642345 /nfs/dbraw/zinc/64/23/45/552642345.db2.gz AICUDBRHSATVEF-UHFFFAOYSA-N -1 1 370.402 2.340 20 0 FEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000291858743 552669166 /nfs/dbraw/zinc/66/91/66/552669166.db2.gz FEMYKWBZNZHNNH-LRDDRELGSA-N -1 1 370.471 2.224 20 0 FEADMM CCSc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000292045069 552687834 /nfs/dbraw/zinc/68/78/34/552687834.db2.gz FECDAHZOKGVHRV-UHFFFAOYSA-N -1 1 354.453 2.230 20 0 FEADMM Cc1nc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c(C)s1 ZINC000292675993 552748617 /nfs/dbraw/zinc/74/86/17/552748617.db2.gz ZVRAGFMJUSMYIQ-LDYMZIIASA-N -1 1 363.405 2.360 20 0 FEADMM CCOc1cc(-c2noc(COCc3nncn3C)n2)cc(Cl)c1[O-] ZINC000293202582 552798688 /nfs/dbraw/zinc/79/86/88/552798688.db2.gz OSNSAWAIOOUAOI-UHFFFAOYSA-N -1 1 365.777 2.340 20 0 FEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc2c(c1)ncn2C ZINC000293635953 552842704 /nfs/dbraw/zinc/84/27/04/552842704.db2.gz FSLXZPOLMMZPBP-ZYHUDNBSSA-N -1 1 368.359 2.245 20 0 FEADMM Cc1nc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])nn1C ZINC000293780017 552856015 /nfs/dbraw/zinc/85/60/15/552856015.db2.gz WAXOKRNXAZMCKU-UHFFFAOYSA-N -1 1 373.291 2.192 20 0 FEADMM COCC1(CCNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCC1 ZINC000293813378 552858652 /nfs/dbraw/zinc/85/86/52/552858652.db2.gz FKUNINBHAPLXSU-UHFFFAOYSA-N -1 1 370.453 2.418 20 0 FEADMM Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294065935 552879145 /nfs/dbraw/zinc/87/91/45/552879145.db2.gz VISTUAAGUYQWLQ-OKILXGFUSA-N -1 1 369.469 2.036 20 0 FEADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295212487 552970604 /nfs/dbraw/zinc/97/06/04/552970604.db2.gz XIFKULSERPQVJF-SNVBAGLBSA-N -1 1 365.459 2.003 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)c1nccs1 ZINC000530374732 562408846 /nfs/dbraw/zinc/40/88/46/562408846.db2.gz BDJHCZWCEJMHCV-LLVKDONJSA-N -1 1 358.416 2.498 20 0 FEADMM O=C(NC1(c2nnc[nH]2)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000295358232 552993570 /nfs/dbraw/zinc/99/35/70/552993570.db2.gz YXMCBCMKCVKSJJ-UHFFFAOYSA-N -1 1 355.167 2.221 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000295452349 553008903 /nfs/dbraw/zinc/00/89/03/553008903.db2.gz BBLSEFHAOAUJEF-UHFFFAOYSA-N -1 1 351.399 2.438 20 0 FEADMM C[C@@H]1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CCN(C2CC2)C1 ZINC000295468526 553011627 /nfs/dbraw/zinc/01/16/27/553011627.db2.gz YCLABPWEUMNNFR-ZDUSSCGKSA-N -1 1 358.417 2.273 20 0 FEADMM COC1(C)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000502083682 561611707 /nfs/dbraw/zinc/61/17/07/561611707.db2.gz YDURZMUYVFZEPK-UHFFFAOYSA-N -1 1 360.435 2.348 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1ccccc1 ZINC000295738642 553052673 /nfs/dbraw/zinc/05/26/73/553052673.db2.gz PQKMRKVBXIJNMA-KRWDZBQOSA-N -1 1 363.435 2.037 20 0 FEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000295763829 553056111 /nfs/dbraw/zinc/05/61/11/553056111.db2.gz WDIDTCUWYQCMBV-UHFFFAOYSA-N -1 1 369.414 2.035 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cn(C)nc2C2CCCCC2)co1 ZINC000295893203 553072683 /nfs/dbraw/zinc/07/26/83/553072683.db2.gz WXCJNMVXPKTLRY-UHFFFAOYSA-N -1 1 366.443 2.221 20 0 FEADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](CO)c2ccccc2)c(=O)[n-]1 ZINC000296826754 553216885 /nfs/dbraw/zinc/21/68/85/553216885.db2.gz GLZLTYRAXFDZMD-OAHLLOKOSA-N -1 1 361.467 2.337 20 0 FEADMM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-][C@@H]1COc2ccccc2[C@H]1O ZINC000297149941 553256400 /nfs/dbraw/zinc/25/64/00/553256400.db2.gz RHUCAYNAOGRMGV-NJZAAPMLSA-N -1 1 361.410 2.226 20 0 FEADMM CCOc1cc(C(=O)N2CC[C@](COC)(C(=O)OC)C2)cc(Cl)c1[O-] ZINC000297282583 553273033 /nfs/dbraw/zinc/27/30/33/553273033.db2.gz SVNJWABKBSSCEC-KRWDZBQOSA-N -1 1 371.817 2.096 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@H](c3cccs3)C(C)(C)CO)ccnc1-2 ZINC000298172997 553393730 /nfs/dbraw/zinc/39/37/30/553393730.db2.gz UMSSYDCQHUWHDG-FAPYRAKZSA-N -1 1 359.455 2.285 20 0 FEADMM CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000298400805 553420859 /nfs/dbraw/zinc/42/08/59/553420859.db2.gz FCTULMIGSQJEBG-GFCCVEGCSA-N -1 1 362.455 2.293 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCc2cn3cc(C)ccc3n2)c(=O)[n-]1 ZINC000298967830 553496346 /nfs/dbraw/zinc/49/63/46/553496346.db2.gz LYHYYAFTCFMHCF-UHFFFAOYSA-N -1 1 371.466 2.418 20 0 FEADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000504303171 561655959 /nfs/dbraw/zinc/65/59/59/561655959.db2.gz FRSUUQGLQIMHDQ-UHFFFAOYSA-N -1 1 356.407 2.407 20 0 FEADMM CC[C@@H](O)[C@H](CC)NC(=O)c1cc(I)ccc1[O-] ZINC000313090434 553756522 /nfs/dbraw/zinc/75/65/22/553756522.db2.gz AFSSRVFWOHZVIJ-WDEREUQCSA-N -1 1 363.195 2.276 20 0 FEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c[nH]1 ZINC000319758167 553764195 /nfs/dbraw/zinc/76/41/95/553764195.db2.gz JZAFTSQGTKGHHE-UHFFFAOYSA-N -1 1 350.274 2.254 20 0 FEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000321054882 553765947 /nfs/dbraw/zinc/76/59/47/553765947.db2.gz KOZCXXQZUKGNJD-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM CNc1snc(C)c1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000505633682 561675900 /nfs/dbraw/zinc/67/59/00/561675900.db2.gz KLDVDHOOVNLZED-UHFFFAOYSA-N -1 1 370.456 2.126 20 0 FEADMM COCCOCc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000324557597 553772761 /nfs/dbraw/zinc/77/27/61/553772761.db2.gz HHHUWQPARQBKCA-UHFFFAOYSA-N -1 1 371.436 2.410 20 0 FEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1 ZINC000327428818 553788914 /nfs/dbraw/zinc/78/89/14/553788914.db2.gz QSIUPOKMSYENOE-UHFFFAOYSA-N -1 1 361.379 2.332 20 0 FEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000505805786 561681400 /nfs/dbraw/zinc/68/14/00/561681400.db2.gz XNRBQPJKVRRTPY-UHFFFAOYSA-N -1 1 370.390 2.169 20 0 FEADMM Cc1cc(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1C(=O)[O-] ZINC000505803687 561681450 /nfs/dbraw/zinc/68/14/50/561681450.db2.gz UYSHMLVJOABKMK-OAHLLOKOSA-N -1 1 354.472 2.092 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)NCCc1cc(C(F)(F)F)ccn1)c2=O ZINC000506728350 561706986 /nfs/dbraw/zinc/70/69/86/561706986.db2.gz CCAQLWIXTILMMP-UHFFFAOYSA-N -1 1 365.315 2.060 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]3COCC[C@H]32)c(=O)[n-]1 ZINC000329775862 554003574 /nfs/dbraw/zinc/00/35/74/554003574.db2.gz NLMDDJOGFGZGCR-GXTWGEPZSA-N -1 1 351.472 2.173 20 0 FEADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000507246767 561722351 /nfs/dbraw/zinc/72/23/51/561722351.db2.gz KIWRJMFCTILTKP-GFCCVEGCSA-N -1 1 355.329 2.195 20 0 FEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)CN1C1CCCCC1 ZINC000330084512 554061754 /nfs/dbraw/zinc/06/17/54/554061754.db2.gz RACXLSKFKSKRMS-LLVKDONJSA-N -1 1 358.410 2.177 20 0 FEADMM Cc1nn(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1-c1ccccc1 ZINC000507875992 561744234 /nfs/dbraw/zinc/74/42/34/561744234.db2.gz VUIZKDQBGFBEFO-OAHLLOKOSA-N -1 1 367.409 2.353 20 0 FEADMM CC1(C)COCCN1CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000330609389 554145507 /nfs/dbraw/zinc/14/55/07/554145507.db2.gz RWYXSFCMNSFDRU-UHFFFAOYSA-N -1 1 373.327 2.444 20 0 FEADMM COc1cc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000330613369 554145838 /nfs/dbraw/zinc/14/58/38/554145838.db2.gz REYLODKTMQEWFK-QWRGUYRKSA-N -1 1 356.444 2.209 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)o1 ZINC000330810316 554174262 /nfs/dbraw/zinc/17/42/62/554174262.db2.gz IZQHRHARDRFHMU-BXUZGUMPSA-N -1 1 359.444 2.186 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)o1 ZINC000330810317 554174355 /nfs/dbraw/zinc/17/43/55/554174355.db2.gz IZQHRHARDRFHMU-FZMZJTMJSA-N -1 1 359.444 2.186 20 0 FEADMM Cc1nc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)sc1C ZINC000330842914 554178549 /nfs/dbraw/zinc/17/85/49/554178549.db2.gz WCNMBCAOBNHHJX-UHFFFAOYSA-N -1 1 357.423 2.065 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000508376650 561760338 /nfs/dbraw/zinc/76/03/38/561760338.db2.gz QINVHPLVAUQQPT-QGZVFWFLSA-N -1 1 357.385 2.314 20 0 FEADMM COc1cc(NC(=O)[C@H]2CCO[C@H]2C(C)C)ccc1[N-]S(C)(=O)=O ZINC000331218671 554232585 /nfs/dbraw/zinc/23/25/85/554232585.db2.gz SBJWIPXPRDOSRT-WFASDCNBSA-N -1 1 356.444 2.066 20 0 FEADMM COc1cc(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc(Cl)c1[O-] ZINC000331288151 554241901 /nfs/dbraw/zinc/24/19/01/554241901.db2.gz UWNWMRJJNFTFQQ-LBPRGKRZSA-N -1 1 354.834 2.431 20 0 FEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)c(F)c1 ZINC000509073394 561783737 /nfs/dbraw/zinc/78/37/37/561783737.db2.gz AXZWMOXPOJUSQO-UHFFFAOYSA-N -1 1 353.327 2.142 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)C[C@H]3C)c2)cc1 ZINC000331575561 554288146 /nfs/dbraw/zinc/28/81/46/554288146.db2.gz ABYJYVCOUZSLAB-RHSMWYFYSA-N -1 1 374.462 2.391 20 0 FEADMM CCO[C@@H](C)c1nc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cs1 ZINC000331760107 554321812 /nfs/dbraw/zinc/32/18/12/554321812.db2.gz DMWGKNHSWJFICY-QWRGUYRKSA-N -1 1 366.443 2.278 20 0 FEADMM COc1cc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc(Cl)c1[O-] ZINC000331883980 554338231 /nfs/dbraw/zinc/33/82/31/554338231.db2.gz WQTZPTAPEYEGKU-CMPLNLGQSA-N -1 1 367.789 2.348 20 0 FEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)c1 ZINC000509387553 561797452 /nfs/dbraw/zinc/79/74/52/561797452.db2.gz WIUIFTYZTNQYEN-UHFFFAOYSA-N -1 1 362.436 2.496 20 0 FEADMM CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509415016 561798560 /nfs/dbraw/zinc/79/85/60/561798560.db2.gz HWBAULFSEUVBPG-VIFPVBQESA-N -1 1 370.254 2.483 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000332051075 554370114 /nfs/dbraw/zinc/37/01/14/554370114.db2.gz LVHPIQOPIITBSD-CQSZACIVSA-N -1 1 356.426 2.169 20 0 FEADMM Cc1noc([C@@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)n1 ZINC000332084765 554376925 /nfs/dbraw/zinc/37/69/25/554376925.db2.gz PYGGMYKMEUMNGR-SECBINFHSA-N -1 1 352.188 2.476 20 0 FEADMM COc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)cc(Cl)c1[O-] ZINC000332223209 554404400 /nfs/dbraw/zinc/40/44/00/554404400.db2.gz BBMBEAJHMASMSG-UHFFFAOYSA-N -1 1 354.834 2.385 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)n1 ZINC000510012041 561821695 /nfs/dbraw/zinc/82/16/95/561821695.db2.gz FMIYQSNTIZYGJT-WCQYABFASA-N -1 1 359.382 2.346 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H]1Cc1ccccc1Cl ZINC000509902542 561818022 /nfs/dbraw/zinc/81/80/22/561818022.db2.gz ZWPCEZPFGMFLNU-CQSZACIVSA-N -1 1 373.840 2.404 20 0 FEADMM Cc1c(Br)cccc1CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000332433245 554445310 /nfs/dbraw/zinc/44/53/10/554445310.db2.gz GFPYQOGLKRQEIV-UHFFFAOYSA-N -1 1 368.304 2.513 20 0 FEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C)cc1 ZINC000332503148 554457436 /nfs/dbraw/zinc/45/74/36/554457436.db2.gz ZZFJQIYJLVVLQI-HOCLYGCPSA-N -1 1 374.462 2.391 20 0 FEADMM CC(=O)N[C@H](C)C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000332505163 554458299 /nfs/dbraw/zinc/45/82/99/554458299.db2.gz HVOOZWUNNAHWSW-GFCCVEGCSA-N -1 1 356.426 2.021 20 0 FEADMM CC(=O)N[C@H](C)C1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000332505163 554458300 /nfs/dbraw/zinc/45/83/00/554458300.db2.gz HVOOZWUNNAHWSW-GFCCVEGCSA-N -1 1 356.426 2.021 20 0 FEADMM CC[C@@]([N-]S(=O)(=O)c1cccnc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510537289 561838031 /nfs/dbraw/zinc/83/80/31/561838031.db2.gz HXJOAXUFBOPDQI-INIZCTEOSA-N -1 1 368.842 2.492 20 0 FEADMM C[C@H](N=c1ccc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)n[n-]1)c1ccccc1 ZINC000333499886 554619093 /nfs/dbraw/zinc/61/90/93/554619093.db2.gz RZGOKSWLRLIZTD-JCHJZTRSSA-N -1 1 368.481 3.016 20 0 FEADMM C[C@@H]1CN(c2ccc(=NCc3ccccc3F)[n-]n2)C[C@@]2(CCCOC2)O1 ZINC000333513798 554620166 /nfs/dbraw/zinc/62/01/66/554620166.db2.gz JLWJKILAKKTABB-FOIQADDNSA-N -1 1 372.444 3.002 20 0 FEADMM O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ncccc1[O-] ZINC000510977435 561852972 /nfs/dbraw/zinc/85/29/72/561852972.db2.gz PSKVNDQAXZGQQV-UHFFFAOYSA-N -1 1 371.706 2.432 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(C[C@@H]3CCCO3)no2)o1 ZINC000349834068 554744737 /nfs/dbraw/zinc/74/47/37/554744737.db2.gz BYGJMNKLDMDDND-JTQLQIEISA-N -1 1 355.416 2.128 20 0 FEADMM COc1ccc(-c2nc(-c3ccc(N4CCOCC4)cn3)no2)c([O-])c1 ZINC000350568994 554798454 /nfs/dbraw/zinc/79/84/54/554798454.db2.gz QRLJNJCABAWLSK-UHFFFAOYSA-N -1 1 354.366 2.349 20 0 FEADMM C[C@]1(c2ccc(-c3noc(-c4cc(F)ccc4[O-])n3)cc2)NC(=O)NC1=O ZINC000350574738 554798920 /nfs/dbraw/zinc/79/89/20/554798920.db2.gz FJWGHBDYGAAULJ-GOSISDBHSA-N -1 1 368.324 2.303 20 0 FEADMM NC(=O)[C@@H]1CC(c2nc(-c3ccc([O-])cc3F)no2)=NN1c1ccccc1 ZINC000350812692 554815207 /nfs/dbraw/zinc/81/52/07/554815207.db2.gz LQYVSKVVCASLDV-HNNXBMFYSA-N -1 1 367.340 2.050 20 0 FEADMM O=C1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CN1Cc1ccccn1 ZINC000350840310 554817047 /nfs/dbraw/zinc/81/70/47/554817047.db2.gz ULEPHACTMVGFDD-LBPRGKRZSA-N -1 1 354.341 2.492 20 0 FEADMM COc1cnccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000350946457 554824536 /nfs/dbraw/zinc/82/45/36/554824536.db2.gz ZULMOXNZIWKQPG-SECBINFHSA-N -1 1 366.424 2.241 20 0 FEADMM COc1cc(-c2noc([C@H]3CN(C)CCO3)n2)cc(Br)c1[O-] ZINC000351217018 554844526 /nfs/dbraw/zinc/84/45/26/554844526.db2.gz JEMYTCNYQVJONP-LLVKDONJSA-N -1 1 370.203 2.216 20 0 FEADMM C[C@@H](c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1nccs1 ZINC000351346578 554852188 /nfs/dbraw/zinc/85/21/88/554852188.db2.gz RGRHIODGMZJNQG-QMMMGPOBSA-N -1 1 356.454 2.218 20 0 FEADMM O=C(CCCOc1ccc(F)cc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362131472 554951568 /nfs/dbraw/zinc/95/15/68/554951568.db2.gz PBGJVYDVJKOABA-NSHDSACASA-N -1 1 351.357 2.043 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000362272282 554959200 /nfs/dbraw/zinc/95/92/00/554959200.db2.gz DBQZWAIBGIBXQN-NVXWUHKLSA-N -1 1 370.453 2.415 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)o1 ZINC000363046848 555017972 /nfs/dbraw/zinc/01/79/72/555017972.db2.gz GCHXWFQYNMERCJ-AWEZNQCLSA-N -1 1 366.414 2.174 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccn2)C2CCCC2)o1 ZINC000363274147 555069063 /nfs/dbraw/zinc/06/90/63/555069063.db2.gz IZBDHSNDUZFCDW-MRXNPFEDSA-N -1 1 363.439 2.244 20 0 FEADMM COc1ccc(C(C)(C)CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1 ZINC000511920830 561885576 /nfs/dbraw/zinc/88/55/76/561885576.db2.gz SYHIBRXNDOBMCW-UHFFFAOYSA-N -1 1 354.410 2.390 20 0 FEADMM O=S(=O)(Cc1ccon1)[N-][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000363554819 555136124 /nfs/dbraw/zinc/13/61/24/555136124.db2.gz BOHCAHVQHYPESG-AWEZNQCLSA-N -1 1 360.395 2.144 20 0 FEADMM O=C(Nc1ccncc1[O-])c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000512011831 561889112 /nfs/dbraw/zinc/88/91/12/561889112.db2.gz SYOXJFPJQHFREW-UHFFFAOYSA-N -1 1 355.375 2.356 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCCN(C(=O)C(C)(C)C)CC3)cnc2n1 ZINC000363660209 555158018 /nfs/dbraw/zinc/15/80/18/555158018.db2.gz LJFNZQGRAUKRNF-UHFFFAOYSA-N -1 1 370.453 2.364 20 0 FEADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCN(C(=O)C(C)(C)C)CC1)c2=O ZINC000363660209 555158020 /nfs/dbraw/zinc/15/80/20/555158020.db2.gz LJFNZQGRAUKRNF-UHFFFAOYSA-N -1 1 370.453 2.364 20 0 FEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC000363797909 555188551 /nfs/dbraw/zinc/18/85/51/555188551.db2.gz WGWDRTPVEJSVLN-UHFFFAOYSA-N -1 1 350.378 2.399 20 0 FEADMM COC(=O)C(C)(C)c1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1 ZINC000512094467 561891982 /nfs/dbraw/zinc/89/19/82/561891982.db2.gz BCMIGQJYBJSJQM-UHFFFAOYSA-N -1 1 368.393 2.377 20 0 FEADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000363993937 555229174 /nfs/dbraw/zinc/22/91/74/555229174.db2.gz OTPISHAZQAFMAX-OCCSQVGLSA-N -1 1 362.455 2.482 20 0 FEADMM O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000364120548 555253942 /nfs/dbraw/zinc/25/39/42/555253942.db2.gz LRSUDAKBKLRSKO-OAHLLOKOSA-N -1 1 366.483 2.460 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)C2CCN(CC(F)F)CC2)c1Br ZINC000616008913 555262955 /nfs/dbraw/zinc/26/29/55/555262955.db2.gz MAPGNQHFFRYKHP-UHFFFAOYSA-N -1 1 351.195 2.396 20 0 FEADMM CCC[C@@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC000364343760 555295385 /nfs/dbraw/zinc/29/53/85/555295385.db2.gz ZUOAXVKNEZKJBA-CYBMUJFWSA-N -1 1 366.466 2.194 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3SC[C@@H]2C)co1 ZINC000364383718 555303366 /nfs/dbraw/zinc/30/33/66/555303366.db2.gz VTLRHJBWGWGDDR-NSHDSACASA-N -1 1 366.464 2.324 20 0 FEADMM Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)c([O-])c1 ZINC000364505116 555325589 /nfs/dbraw/zinc/32/55/89/555325589.db2.gz NIVRCFMFMARYQG-QGZVFWFLSA-N -1 1 371.393 2.192 20 0 FEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1)c1nc(-c2ccncc2)no1 ZINC000364506019 555325746 /nfs/dbraw/zinc/32/57/46/555325746.db2.gz SCOQXDQXSFOZHF-AWEZNQCLSA-N -1 1 359.411 2.202 20 0 FEADMM CCOc1cc(C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)cc(Cl)c1[O-] ZINC000364762732 555395900 /nfs/dbraw/zinc/39/59/00/555395900.db2.gz SCCIWQVQJYCKMD-PIGZYNQJSA-N -1 1 355.818 2.464 20 0 FEADMM COC1(CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)CCC1 ZINC000365082029 555480585 /nfs/dbraw/zinc/48/05/85/555480585.db2.gz BZTJFPSTBDULAQ-ZDUSSCGKSA-N -1 1 353.785 2.157 20 0 FEADMM Cc1cccc(OC[C@H](O)CNC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000512993686 561921916 /nfs/dbraw/zinc/92/19/16/561921916.db2.gz UMOIASCDASHMOK-CQSZACIVSA-N -1 1 367.405 2.122 20 0 FEADMM Cc1cccc(OC[C@H](O)CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000512993686 561921918 /nfs/dbraw/zinc/92/19/18/561921918.db2.gz UMOIASCDASHMOK-CQSZACIVSA-N -1 1 367.405 2.122 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000365461700 555581717 /nfs/dbraw/zinc/58/17/17/555581717.db2.gz MRQZQYWUOILHQP-JSGCOSHPSA-N -1 1 363.462 2.449 20 0 FEADMM COC(=O)c1[n-]c(=N[C@H]2CCN(C(=O)C3CCCCC3)C2)sc1C ZINC000365497177 555591258 /nfs/dbraw/zinc/59/12/58/555591258.db2.gz JBDFPIMWPXYMQC-ZDUSSCGKSA-N -1 1 351.472 2.831 20 0 FEADMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)ns1 ZINC000365627445 555626427 /nfs/dbraw/zinc/62/64/27/555626427.db2.gz HPWYBXPSSQIDCJ-LLVKDONJSA-N -1 1 352.782 2.277 20 0 FEADMM CCc1noc(C)c1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000513315190 561933377 /nfs/dbraw/zinc/93/33/77/561933377.db2.gz SOKBABDYGBZPOL-UHFFFAOYSA-N -1 1 353.400 2.178 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)c1 ZINC000513791300 561949863 /nfs/dbraw/zinc/94/98/63/561949863.db2.gz MNGPRDDUIHIYEM-CYBMUJFWSA-N -1 1 351.380 2.095 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)cc2)c1 ZINC000513792549 561950191 /nfs/dbraw/zinc/95/01/91/561950191.db2.gz IDDDZUILILAORO-UHFFFAOYSA-N -1 1 353.396 2.332 20 0 FEADMM Cc1nc(-c2ccc(N3CCO[C@@]4(CCO[C@@H]4C)C3)nc2)[n-]c(=O)c1C ZINC000366492881 555859728 /nfs/dbraw/zinc/85/97/28/555859728.db2.gz NRPYCCVKJRLMMT-KUHUBIRLSA-N -1 1 356.426 2.245 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@H]2OCC[C@H]21 ZINC000366526741 555868489 /nfs/dbraw/zinc/86/84/89/555868489.db2.gz VSLUVQDETJXNJP-DGCLKSJQSA-N -1 1 373.190 2.390 20 0 FEADMM COc1cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)ccc1O ZINC000366651372 555899986 /nfs/dbraw/zinc/89/99/86/555899986.db2.gz GKCQKBQXYSXJFL-UHFFFAOYSA-N -1 1 366.377 2.448 20 0 FEADMM Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000620354543 555922092 /nfs/dbraw/zinc/92/20/92/555922092.db2.gz PUCAMHDFWJAUOY-OAHLLOKOSA-N -1 1 356.451 2.339 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccsc3)C[C@@H]2C)co1 ZINC000366817410 555942337 /nfs/dbraw/zinc/94/23/37/555942337.db2.gz ZZOROSUQHXNRMB-JQWIXIFHSA-N -1 1 354.453 2.267 20 0 FEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2c(C)noc2CC)s1 ZINC000514612739 561969834 /nfs/dbraw/zinc/96/98/34/561969834.db2.gz XSGQAPDTQDOXFT-UHFFFAOYSA-N -1 1 356.429 2.304 20 0 FEADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCc2nnc(N3CCCC3)cc2C1 ZINC000621239093 556048016 /nfs/dbraw/zinc/04/80/16/556048016.db2.gz VYVDEWRIRIEIMK-UHFFFAOYSA-N -1 1 370.482 2.306 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000367700084 556117894 /nfs/dbraw/zinc/11/78/94/556117894.db2.gz AYKNRLDIIHLLQY-DGCLKSJQSA-N -1 1 371.846 2.275 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000367700084 556117895 /nfs/dbraw/zinc/11/78/95/556117895.db2.gz AYKNRLDIIHLLQY-DGCLKSJQSA-N -1 1 371.846 2.275 20 0 FEADMM O=C(c1c(F)ccc([O-])c1F)N1CCn2c(Br)cnc2C1 ZINC000367709484 556120717 /nfs/dbraw/zinc/12/07/17/556120717.db2.gz TXZFARWKRJYOQO-UHFFFAOYSA-N -1 1 358.142 2.285 20 0 FEADMM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515205583 562000533 /nfs/dbraw/zinc/00/05/33/562000533.db2.gz NICZBMZCMXVTBO-UHFFFAOYSA-N -1 1 352.188 2.326 20 0 FEADMM CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000368420419 556303908 /nfs/dbraw/zinc/30/39/08/556303908.db2.gz UKZGPJIYBXKNCQ-UHFFFAOYSA-N -1 1 371.275 2.074 20 0 FEADMM O=C(Cc1ccc(O)cc1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368501909 556328078 /nfs/dbraw/zinc/32/80/78/556328078.db2.gz KFXLSAAMEOPDSX-HNNXBMFYSA-N -1 1 361.764 2.146 20 0 FEADMM CCOc1cc(C(=O)N2CCOC[C@@H]2c2noc(C)n2)cc(Cl)c1[O-] ZINC000368759799 556406744 /nfs/dbraw/zinc/40/67/44/556406744.db2.gz BSVLWRVCZYLMGF-GFCCVEGCSA-N -1 1 367.789 2.349 20 0 FEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)c2)n[nH]1 ZINC000368777078 556410485 /nfs/dbraw/zinc/41/04/85/556410485.db2.gz JEPCTTMLABRCRH-UHFFFAOYSA-N -1 1 370.390 2.251 20 0 FEADMM O=C(Nc1ccc([O-])c(C(=O)N2CC(O)(C3CC3)C2)c1)OCC(F)(F)F ZINC000368963406 556461049 /nfs/dbraw/zinc/46/10/49/556461049.db2.gz JQSVBPDPBUZPFA-UHFFFAOYSA-N -1 1 374.315 2.100 20 0 FEADMM CC[C@H](C)[C@H](OC)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369091299 556502496 /nfs/dbraw/zinc/50/24/96/556502496.db2.gz IECIOQZWXZWMMD-CKLFPEKLSA-N -1 1 355.801 2.259 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1C(N)=O ZINC000515838438 562023314 /nfs/dbraw/zinc/02/33/14/562023314.db2.gz ZVVMNJZLPCKJRH-UHFFFAOYSA-N -1 1 373.390 2.250 20 0 FEADMM O=C(c1coc(-c2c(F)cccc2F)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000516045067 562028566 /nfs/dbraw/zinc/02/85/66/562028566.db2.gz ANVRPJYYIOZTRZ-VIFPVBQESA-N -1 1 360.324 2.153 20 0 FEADMM Cn1[n-]cc2c(=NC(=O)NCc3sccc3Br)ccnc1-2 ZINC000806486180 674378794 /nfs/dbraw/zinc/37/87/94/674378794.db2.gz MQJSJPKSGXZQKA-UHFFFAOYSA-N -1 1 366.244 2.488 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000370017710 556758986 /nfs/dbraw/zinc/75/89/86/556758986.db2.gz LFANUUYUYPGNIH-GWCFXTLKSA-N -1 1 372.450 2.136 20 0 FEADMM NC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C(F)(F)F ZINC000370241412 556820027 /nfs/dbraw/zinc/82/00/27/556820027.db2.gz NYYQXYJLHLLMKE-RKDXNWHRSA-N -1 1 370.249 2.147 20 0 FEADMM CCOc1ncnc2c1CN(C(=O)c1c([O-])cnc3ccccc31)CC2 ZINC000370474139 556883540 /nfs/dbraw/zinc/88/35/40/556883540.db2.gz VETZJCDGTVYENI-UHFFFAOYSA-N -1 1 350.378 2.328 20 0 FEADMM O=S(=O)([N-][C@@H](C1CC1)[C@@]1(CO)CCCO1)c1cc2cc(F)ccc2o1 ZINC000517072123 562074623 /nfs/dbraw/zinc/07/46/23/562074623.db2.gz AAJHUIHSRFNLIW-IRXDYDNUSA-N -1 1 369.414 2.170 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000371267535 557124998 /nfs/dbraw/zinc/12/49/98/557124998.db2.gz YWQNSCBMOOITIU-WMZOPIPTSA-N -1 1 368.437 2.169 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c2c(n1)onc2C(C)C ZINC000371297927 557135685 /nfs/dbraw/zinc/13/56/85/557135685.db2.gz PKWHUQMYNZBNQB-LLVKDONJSA-N -1 1 355.402 2.188 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4ccc(F)cn4)CC3)cnc2n1 ZINC000371427139 557183642 /nfs/dbraw/zinc/18/36/42/557183642.db2.gz TWRMRKFYZHRIQV-UHFFFAOYSA-N -1 1 367.384 2.140 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CCN(c4ccc(F)cn4)CC3)c[n-]c2n1 ZINC000371427139 557183644 /nfs/dbraw/zinc/18/36/44/557183644.db2.gz TWRMRKFYZHRIQV-UHFFFAOYSA-N -1 1 367.384 2.140 20 0 FEADMM COc1cc(NC(=O)N(C)Cc2ccncc2)ccc1[N-]S(C)(=O)=O ZINC000517659641 562094825 /nfs/dbraw/zinc/09/48/25/562094825.db2.gz ZMMYHEGTHYVQLJ-UHFFFAOYSA-N -1 1 364.427 2.126 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2Br)c(C)c1 ZINC000518024626 562102842 /nfs/dbraw/zinc/10/28/42/562102842.db2.gz ZRGJVBAYAGVHFN-UHFFFAOYSA-N -1 1 374.216 2.068 20 0 FEADMM CC(C)OC[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCO1 ZINC000372182753 557401751 /nfs/dbraw/zinc/40/17/51/557401751.db2.gz VWWCHDKJXZVZQV-LBPRGKRZSA-N -1 1 358.232 2.421 20 0 FEADMM O=C(c1cc(Oc2ccccc2)ccn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372363954 557450680 /nfs/dbraw/zinc/45/06/80/557450680.db2.gz CWWCCZYOKDTVEP-ZDUSSCGKSA-N -1 1 350.382 2.407 20 0 FEADMM Cc1[n-][nH]c(=NC(=O)c2ccn(C3CCOCC3)n2)c1Br ZINC000627669436 557470176 /nfs/dbraw/zinc/47/01/76/557470176.db2.gz GIMNRDKCNYTAJJ-UHFFFAOYSA-N -1 1 354.208 2.281 20 0 FEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000519437375 562131930 /nfs/dbraw/zinc/13/19/30/562131930.db2.gz YGQVPELMDSKVIS-UHFFFAOYSA-N -1 1 366.425 2.273 20 0 FEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-n3nnnc3C)c2)c1 ZINC000372562338 557505960 /nfs/dbraw/zinc/50/59/60/557505960.db2.gz CISMHKLYFUUTMQ-UHFFFAOYSA-N -1 1 373.438 2.226 20 0 FEADMM CCOC(=O)c1nn(C)cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000373508017 557707613 /nfs/dbraw/zinc/70/76/13/557707613.db2.gz WSCFMQLZTVVUSE-UHFFFAOYSA-N -1 1 371.437 2.397 20 0 FEADMM O=C(c1ncccc1[O-])N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000373507954 557707638 /nfs/dbraw/zinc/70/76/38/557707638.db2.gz DNABDCUDNBTUDJ-UHFFFAOYSA-N -1 1 352.316 2.163 20 0 FEADMM C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1ncccc1[O-] ZINC000373517088 557709853 /nfs/dbraw/zinc/70/98/53/557709853.db2.gz SLJNTSXPTBRGRE-CRAIPNDOSA-N -1 1 355.438 2.149 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)o1 ZINC000373667462 557734685 /nfs/dbraw/zinc/73/46/85/557734685.db2.gz QFOPGSVXFAYDAK-UHFFFAOYSA-N -1 1 360.395 2.139 20 0 FEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373739088 557748642 /nfs/dbraw/zinc/74/86/42/557748642.db2.gz ZFPBQHSCHPJAOB-CWTRNNRKSA-N -1 1 363.458 2.198 20 0 FEADMM Cc1cccc(NC2CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000373795881 557760778 /nfs/dbraw/zinc/76/07/78/557760778.db2.gz QIGAAOXMQULPMK-UHFFFAOYSA-N -1 1 372.391 2.250 20 0 FEADMM CCOC(=O)[C@]1(COC)CCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000374179025 557838100 /nfs/dbraw/zinc/83/81/00/557838100.db2.gz ZUJIWSIWYCHHPK-HXUWFJFHSA-N -1 1 372.421 2.372 20 0 FEADMM C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000521184555 562171258 /nfs/dbraw/zinc/17/12/58/562171258.db2.gz RQRXNYCIJZGULR-GFCCVEGCSA-N -1 1 362.455 2.083 20 0 FEADMM C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000521184555 562171259 /nfs/dbraw/zinc/17/12/59/562171259.db2.gz RQRXNYCIJZGULR-GFCCVEGCSA-N -1 1 362.455 2.083 20 0 FEADMM Cc1ccc(C2=NO[C@@H](CNC(=O)c3nc4ccccc4c(=O)[n-]3)C2)cc1 ZINC000374465982 557887701 /nfs/dbraw/zinc/88/77/01/557887701.db2.gz VIXNZPUAYYZMHV-CQSZACIVSA-N -1 1 362.389 2.155 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H]1COc1ccc(F)cc1)c2=O ZINC000374560865 557899897 /nfs/dbraw/zinc/89/98/97/557899897.db2.gz ZHFQIHNVUHTMBJ-CYBMUJFWSA-N -1 1 370.384 2.497 20 0 FEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCC2=O ZINC000374836410 557938508 /nfs/dbraw/zinc/93/85/08/557938508.db2.gz GIQACTZHRVPDKF-UHFFFAOYSA-N -1 1 361.375 2.459 20 0 FEADMM O=C(Nc1nc(C2CC2)cs1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000375092117 557976610 /nfs/dbraw/zinc/97/66/10/557976610.db2.gz WVMOXVCGPXTGIY-UHFFFAOYSA-N -1 1 372.381 2.460 20 0 FEADMM Cc1nc([C@@H]2COCCN2C(=O)c2ccc(Br)cc2[O-])no1 ZINC000375831660 558086464 /nfs/dbraw/zinc/08/64/64/558086464.db2.gz OKRGMYAXBZQZMZ-NSHDSACASA-N -1 1 368.187 2.060 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)ccnc1-2 ZINC000376623265 558199212 /nfs/dbraw/zinc/19/92/12/558199212.db2.gz SDZXWMYKEUZJHU-NIAFYLGNSA-N -1 1 372.379 2.020 20 0 FEADMM Cn1[n-]cc2/c(=N\C(=O)C(=O)N3CCCC4(C3)CCCCCC4)ccnc1-2 ZINC000376686409 558208341 /nfs/dbraw/zinc/20/83/41/558208341.db2.gz JGYDKQFPIOPWEE-KQWNVCNZSA-N -1 1 369.469 2.243 20 0 FEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)CC(C)C)CC2)n1 ZINC000377058016 558257067 /nfs/dbraw/zinc/25/70/67/558257067.db2.gz UNBIKHVGTVGGKN-GFCCVEGCSA-N -1 1 351.451 2.305 20 0 FEADMM C[C@H]1CCN(C(=O)[C@@H]2CC23CCOCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000377099602 558265943 /nfs/dbraw/zinc/26/59/43/558265943.db2.gz FVVRHNSBLQOLLM-CYDGBPFRSA-N -1 1 362.392 2.107 20 0 FEADMM Cc1ccc(N2CC[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)C2=O)cc1C ZINC000377520181 558356369 /nfs/dbraw/zinc/35/63/69/558356369.db2.gz SCAPLXSHSBQELS-NSHDSACASA-N -1 1 367.331 2.432 20 0 FEADMM CSc1ccc(NC(=O)[C@@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000377529085 558358642 /nfs/dbraw/zinc/35/86/42/558358642.db2.gz YUUJBDZRQVKUPT-LLVKDONJSA-N -1 1 361.471 2.439 20 0 FEADMM O=C(CCCCc1nc2ccccc2s1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000377600673 558374566 /nfs/dbraw/zinc/37/45/66/558374566.db2.gz KHSJHNQWADXTSZ-ZDUSSCGKSA-N -1 1 372.454 2.122 20 0 FEADMM COC(=O)Cc1occc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000377621780 558378945 /nfs/dbraw/zinc/37/89/45/558378945.db2.gz BPYVUEGVMJTNGP-UHFFFAOYSA-N -1 1 371.389 2.436 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CC=C(c2cncc3ccccc32)CC1 ZINC000377833820 558431309 /nfs/dbraw/zinc/43/13/09/558431309.db2.gz HADNJKRUOXZSSM-UHFFFAOYSA-N -1 1 370.434 2.591 20 0 FEADMM Cn1ncc2c1[n-]cc(C(=O)N1CC[C@@]3(C1)CCc1ccccc1O3)c2=O ZINC000377977586 558456633 /nfs/dbraw/zinc/45/66/33/558456633.db2.gz VQJRDSIEQNJPLX-HXUWFJFHSA-N -1 1 364.405 2.284 20 0 FEADMM O=C(CCc1ccc(OC(F)F)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000522929844 562206168 /nfs/dbraw/zinc/20/61/68/562206168.db2.gz BLATUUQIUZBTRG-UHFFFAOYSA-N -1 1 351.357 2.319 20 0 FEADMM C[C@H]1OCCN(C(=O)c2ccc(I)c([O-])c2)[C@H]1C ZINC000380386642 558603191 /nfs/dbraw/zinc/60/31/91/558603191.db2.gz SGGNAVQZLYSGES-DTWKUNHWSA-N -1 1 361.179 2.246 20 0 FEADMM CN(C)S(=O)(=O)c1cccc(CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000391909171 558615185 /nfs/dbraw/zinc/61/51/85/558615185.db2.gz LRZHOWOPGJDFIQ-HNNXBMFYSA-N -1 1 354.472 2.156 20 0 FEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1NCCc2ccccc21 ZINC000392259803 558616778 /nfs/dbraw/zinc/61/67/78/558616778.db2.gz QEGSZOUAWDZLAS-HNNXBMFYSA-N -1 1 354.435 2.242 20 0 FEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F ZINC000396938318 558623817 /nfs/dbraw/zinc/62/38/17/558623817.db2.gz RSJKHUMWVBBITQ-QMMMGPOBSA-N -1 1 357.325 2.479 20 0 FEADMM COC[C@@H](NC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000398382050 558626611 /nfs/dbraw/zinc/62/66/11/558626611.db2.gz SYWFQAUEZLNAEK-LLVKDONJSA-N -1 1 361.179 2.152 20 0 FEADMM C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)cc2NC1=O ZINC000408000197 558637156 /nfs/dbraw/zinc/63/71/56/558637156.db2.gz YAZJLVFTBRIWGV-GXSJLCMTSA-N -1 1 374.422 2.228 20 0 FEADMM CO[C@@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cnn(C)c1 ZINC000409863600 558723833 /nfs/dbraw/zinc/72/38/33/558723833.db2.gz CPBGCJVFXUODMY-CYBMUJFWSA-N -1 1 351.819 2.851 20 0 FEADMM O=C(N[C@H](CO)c1cccc(Cl)c1F)c1csc(=NC2CC2)[n-]1 ZINC000410100011 558738211 /nfs/dbraw/zinc/73/82/11/558738211.db2.gz JBYKUKPSVAOXHQ-LLVKDONJSA-N -1 1 355.822 2.973 20 0 FEADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccc(Cl)c(Br)c1 ZINC000410285494 558749903 /nfs/dbraw/zinc/74/99/03/558749903.db2.gz LDXDJQQIYJGJPU-UHFFFAOYSA-N -1 1 371.622 2.746 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1OC ZINC000410395834 558755018 /nfs/dbraw/zinc/75/50/18/558755018.db2.gz APVVDCBLNKNASI-UHFFFAOYSA-N -1 1 369.370 2.430 20 0 FEADMM COc1cc(C(=O)N2CCOC3(CCOCC3)CC2)cc(Cl)c1[O-] ZINC000525954961 562261097 /nfs/dbraw/zinc/26/10/97/562261097.db2.gz UMMOUAHXTJEOGE-UHFFFAOYSA-N -1 1 355.818 2.466 20 0 FEADMM O=C(N=c1cc([C@H]2CCCOC2)[nH][nH]1)c1cnc2c(Cl)cccc2c1[O-] ZINC000412302079 559026189 /nfs/dbraw/zinc/02/61/89/559026189.db2.gz VGXHODMQNPUJDH-JTQLQIEISA-N -1 1 372.812 3.051 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H]([C@@H](O)C(F)(F)F)C3)cnc2n1 ZINC000412398559 559033214 /nfs/dbraw/zinc/03/32/14/559033214.db2.gz GVGXPQIZCBGADS-TVQRCGJNSA-N -1 1 355.316 2.029 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)N3CC[C@H]([C@@H](O)C(F)(F)F)C3)c[n-]c2n1 ZINC000412398559 559033216 /nfs/dbraw/zinc/03/32/16/559033216.db2.gz GVGXPQIZCBGADS-TVQRCGJNSA-N -1 1 355.316 2.029 20 0 FEADMM COc1ccc([C@@H](CO)CNC(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000412412707 559034023 /nfs/dbraw/zinc/03/40/23/559034023.db2.gz CZCYSGKEMWATAX-CQSZACIVSA-N -1 1 367.405 2.158 20 0 FEADMM COc1ccc([C@@H](CO)CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000412412707 559034025 /nfs/dbraw/zinc/03/40/25/559034025.db2.gz CZCYSGKEMWATAX-CQSZACIVSA-N -1 1 367.405 2.158 20 0 FEADMM COCC[C@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000412465342 559037515 /nfs/dbraw/zinc/03/75/15/559037515.db2.gz QOUYVDZQTWONSN-VIFPVBQESA-N -1 1 363.195 2.399 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(C)(C)OCC1CC1 ZINC000412622546 559047117 /nfs/dbraw/zinc/04/71/17/559047117.db2.gz RNXPOKBYDGUJAA-UHFFFAOYSA-N -1 1 360.458 2.306 20 0 FEADMM COC(=O)[C@H]1CSCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000413604306 559119901 /nfs/dbraw/zinc/11/99/01/559119901.db2.gz IPYFGYVQQOPCEQ-CQSZACIVSA-N -1 1 374.466 2.203 20 0 FEADMM O=C(NCc1ncccc1F)c1ccc(I)c([O-])c1 ZINC000527024000 562273724 /nfs/dbraw/zinc/27/37/24/562273724.db2.gz UMSKPRPFQCENQB-UHFFFAOYSA-N -1 1 372.137 2.461 20 0 FEADMM CN(C)c1ccccc1CN[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414647386 559176970 /nfs/dbraw/zinc/17/69/70/559176970.db2.gz BZNYUANOBHKYAE-HKUYNNGSSA-N -1 1 367.449 2.269 20 0 FEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(Br)cc2)C1=O ZINC000414652498 559177369 /nfs/dbraw/zinc/17/73/69/559177369.db2.gz HDXIUKSTHPEQIR-KGLIPLIRSA-N -1 1 369.259 2.249 20 0 FEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2cc(O)cc(C(F)(F)F)c2)C1=O ZINC000414668815 559178682 /nfs/dbraw/zinc/17/86/82/559178682.db2.gz XQKSLCFKEIBGAS-ZIAGYGMSSA-N -1 1 374.359 2.211 20 0 FEADMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000415387209 559229923 /nfs/dbraw/zinc/22/99/23/559229923.db2.gz XUTQBUVFHHINHY-CYBMUJFWSA-N -1 1 357.410 2.880 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)C2(OCc3ccccc3)CCOCC2)n1 ZINC000415634462 559256912 /nfs/dbraw/zinc/25/69/12/559256912.db2.gz CBRSNNKOHKNREN-UHFFFAOYSA-N -1 1 373.409 2.291 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000416134662 559293541 /nfs/dbraw/zinc/29/35/41/559293541.db2.gz OXLUKUGPEYKALN-UHFFFAOYSA-N -1 1 351.790 2.257 20 0 FEADMM COc1cc(NC(=O)c2nc3c(s2)CCC3)ccc1[N-]S(C)(=O)=O ZINC000416136067 559293758 /nfs/dbraw/zinc/29/37/58/559293758.db2.gz QBQHBHNSITYCGL-UHFFFAOYSA-N -1 1 367.452 2.264 20 0 FEADMM CCOc1ccccc1C1=CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC1 ZINC000416146820 559294419 /nfs/dbraw/zinc/29/44/19/559294419.db2.gz VXTJYSKTFHHPOE-UHFFFAOYSA-N -1 1 371.393 2.225 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000416236198 559300305 /nfs/dbraw/zinc/30/03/05/559300305.db2.gz AJGUIHFDPFLXTJ-SNVBAGLBSA-N -1 1 371.315 2.362 20 0 FEADMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000416454092 559314005 /nfs/dbraw/zinc/31/40/05/559314005.db2.gz GZQJHOQZLJLLJC-ZCFIWIBFSA-N -1 1 356.297 2.270 20 0 FEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)o1 ZINC000416464215 559315047 /nfs/dbraw/zinc/31/50/47/559315047.db2.gz GWLPHPJEQKHTLH-UHFFFAOYSA-N -1 1 360.819 2.386 20 0 FEADMM COc1cc(NC(=O)N[C@H]2CS[C@@H](C)C2)ccc1[N-]S(C)(=O)=O ZINC000416815533 559333463 /nfs/dbraw/zinc/33/34/63/559333463.db2.gz HWSGFUOXMLQCCU-GXSJLCMTSA-N -1 1 359.473 2.082 20 0 FEADMM COc1cc(NC(=O)NC[C@@H](CC(C)C)OC)ccc1[N-]S(C)(=O)=O ZINC000416814458 559333467 /nfs/dbraw/zinc/33/34/67/559333467.db2.gz GYHPGPCBSCVCEA-CYBMUJFWSA-N -1 1 373.475 2.249 20 0 FEADMM COc1ccc([C@H](CC(=O)[O-])NCc2cnn(CC(F)F)c2)cc1OC ZINC000417556468 559366801 /nfs/dbraw/zinc/36/68/01/559366801.db2.gz OTABPZCGLAOINU-ZDUSSCGKSA-N -1 1 369.368 2.471 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C)OC ZINC000420672202 559496917 /nfs/dbraw/zinc/49/69/17/559496917.db2.gz XFPINKZNPPOQPI-UONOGXRCSA-N -1 1 368.459 2.173 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC(F)F)c1ccccc1 ZINC000420739812 559501560 /nfs/dbraw/zinc/50/15/60/559501560.db2.gz QGRBNJBBOCXKHW-GFCCVEGCSA-N -1 1 373.381 2.261 20 0 FEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)CCC(=O)N3C)OCO2 ZINC000527284579 562283888 /nfs/dbraw/zinc/28/38/88/562283888.db2.gz QDEPECPIYNMDSG-UHFFFAOYSA-N -1 1 374.418 2.434 20 0 FEADMM COc1cc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc(OC)c1 ZINC000424262487 559659842 /nfs/dbraw/zinc/65/98/42/559659842.db2.gz QMQWVLUBOORHFH-AWEZNQCLSA-N -1 1 350.415 2.362 20 0 FEADMM Cn1nccc1[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000424629525 559671711 /nfs/dbraw/zinc/67/17/11/559671711.db2.gz XWXSOARSUHWRJC-CQSZACIVSA-N -1 1 351.790 2.150 20 0 FEADMM O=C(CCCc1ccccc1)NCCNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000424956401 559681318 /nfs/dbraw/zinc/68/13/18/559681318.db2.gz WHCVCNPWGAGIGN-UHFFFAOYSA-N -1 1 372.494 2.586 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2c2cnn(C)c2)c(F)c1 ZINC000425175199 559689639 /nfs/dbraw/zinc/68/96/39/559689639.db2.gz HMPWQQPXPHLRHQ-LSDHHAIUSA-N -1 1 371.409 2.205 20 0 FEADMM C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425298844 559695394 /nfs/dbraw/zinc/69/53/94/559695394.db2.gz JWBDQDSSZDMZSM-JSGCOSHPSA-N -1 1 368.393 2.497 20 0 FEADMM Cc1cc(=O)[nH]c2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)ccc12 ZINC000425300356 559695432 /nfs/dbraw/zinc/69/54/32/559695432.db2.gz LAFNXMRWXYOTRU-GFCCVEGCSA-N -1 1 354.366 2.357 20 0 FEADMM CCn1cc(Br)cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425301973 559695612 /nfs/dbraw/zinc/69/56/12/559695612.db2.gz MVEPUGHFKSVGLN-SECBINFHSA-N -1 1 369.219 2.379 20 0 FEADMM CC(C)CC(CC(C)C)NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000426382121 559733862 /nfs/dbraw/zinc/73/38/62/559733862.db2.gz YGWXKYAWVBGNLZ-UHFFFAOYSA-N -1 1 354.524 2.413 20 0 FEADMM O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)c1csc(=NC2CC2)[n-]1 ZINC000426811092 559742359 /nfs/dbraw/zinc/74/23/59/559742359.db2.gz SAUSAWQPYRVKPC-UHFFFAOYSA-N -1 1 361.377 2.482 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000426870298 559743431 /nfs/dbraw/zinc/74/34/31/559743431.db2.gz BHOIPZXOHWWQSZ-UHFFFAOYSA-N -1 1 373.434 2.334 20 0 FEADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000427119528 559748328 /nfs/dbraw/zinc/74/83/28/559748328.db2.gz JXXNZWNUXXDLNE-UHFFFAOYSA-N -1 1 365.407 2.429 20 0 FEADMM Cc1c(S(=O)(=O)Nc2ccc(-n3cccc3C(=O)[O-])c(C)c2)cnn1C ZINC000427212285 559750612 /nfs/dbraw/zinc/75/06/12/559750612.db2.gz KJSHOUWQXARPII-UHFFFAOYSA-N -1 1 374.422 2.327 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cnc1C ZINC000427220934 559750836 /nfs/dbraw/zinc/75/08/36/559750836.db2.gz WXHMLCZJFVWOOU-UHFFFAOYSA-N -1 1 360.313 2.395 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@](C)(CO)C(C)C ZINC000427385194 559754587 /nfs/dbraw/zinc/75/45/87/559754587.db2.gz TVIFXSLDFLPREE-IBGZPJMESA-N -1 1 358.442 2.008 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc3cccnc32)c1 ZINC000427909348 559765152 /nfs/dbraw/zinc/76/51/52/559765152.db2.gz AXMZJDHIMIHKLJ-UHFFFAOYSA-N -1 1 371.418 2.030 20 0 FEADMM O=S(=O)([N-][C@@H](CO)CC(F)F)c1ccc(Cl)c(F)c1Cl ZINC000428418762 559775176 /nfs/dbraw/zinc/77/51/76/559775176.db2.gz GLGBIWUZGXJBJZ-RXMQYKEDSA-N -1 1 352.161 2.427 20 0 FEADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000428687493 559781213 /nfs/dbraw/zinc/78/12/13/559781213.db2.gz WKDFCMIHJDGHSR-INIZCTEOSA-N -1 1 373.478 2.964 20 0 FEADMM Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000429067249 559790319 /nfs/dbraw/zinc/79/03/19/559790319.db2.gz IALWUESUZWPERL-UHFFFAOYSA-N -1 1 363.381 2.262 20 0 FEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cnc(OCc2ccccc2)cn1 ZINC000429602577 559802253 /nfs/dbraw/zinc/80/22/53/559802253.db2.gz CTIJGFBPDPTZIX-UHFFFAOYSA-N -1 1 364.287 2.445 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)o1 ZINC000429906465 559808356 /nfs/dbraw/zinc/80/83/56/559808356.db2.gz XJZLROHXRGAVBQ-UHFFFAOYSA-N -1 1 367.276 2.101 20 0 FEADMM CCC(CC)(CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)OC ZINC000433128631 559872533 /nfs/dbraw/zinc/87/25/33/559872533.db2.gz XGXYHGMYJSXPOU-UHFFFAOYSA-N -1 1 373.475 2.393 20 0 FEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c(C)n1 ZINC000433374057 559879142 /nfs/dbraw/zinc/87/91/42/559879142.db2.gz LQSGFIUZYRXCNQ-UHFFFAOYSA-N -1 1 373.431 2.010 20 0 FEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NC[C@@H](O)C2CC2)nc1 ZINC000433793486 559887870 /nfs/dbraw/zinc/88/78/70/559887870.db2.gz NVHDXHGQTBHRPB-OAHLLOKOSA-N -1 1 369.393 2.343 20 0 FEADMM CCC[C@@H](NC(=O)c1cnn2c1nccc2-c1ccccc1)c1nn[n-]n1 ZINC000434783717 559909356 /nfs/dbraw/zinc/90/93/56/559909356.db2.gz KCNQYAZUAQPLSJ-CQSZACIVSA-N -1 1 362.397 2.181 20 0 FEADMM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435442613 559923281 /nfs/dbraw/zinc/92/32/81/559923281.db2.gz LWURELRBWGAYOM-CBAPKCEASA-N -1 1 369.245 2.455 20 0 FEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(N)=O)cc1 ZINC000436015112 559933703 /nfs/dbraw/zinc/93/37/03/559933703.db2.gz URLPPQBMMHUTSG-UHFFFAOYSA-N -1 1 352.437 2.073 20 0 FEADMM CC(C)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)NC[C@H]1CCCO1 ZINC000436247422 559938364 /nfs/dbraw/zinc/93/83/64/559938364.db2.gz UEIFQIWMPXXDAR-IUODEOHRSA-N -1 1 351.472 2.472 20 0 FEADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1nnc(-c2ccco2)o1 ZINC000436266048 559938898 /nfs/dbraw/zinc/93/88/98/559938898.db2.gz YCDBJTHNJUKCCG-UHFFFAOYSA-N -1 1 359.367 2.433 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)CCCNC(=O)c2ccsc2)c1 ZINC000436503480 559943522 /nfs/dbraw/zinc/94/35/22/559943522.db2.gz HSCPOYTVMKCRAO-UHFFFAOYSA-N -1 1 362.407 2.389 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccnc(OCC(F)F)c2)c1 ZINC000436504885 559943606 /nfs/dbraw/zinc/94/36/06/559943606.db2.gz MGEHUKMKDFBPDI-UHFFFAOYSA-N -1 1 352.293 2.470 20 0 FEADMM O=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000436557505 559945303 /nfs/dbraw/zinc/94/53/03/559945303.db2.gz RKZCDLSANFAQDY-UHFFFAOYSA-N -1 1 368.368 2.297 20 0 FEADMM O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000436674890 559948561 /nfs/dbraw/zinc/94/85/61/559948561.db2.gz JTUYHDBHFXHSOU-OAHLLOKOSA-N -1 1 356.397 2.495 20 0 FEADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1 ZINC000436684748 559948865 /nfs/dbraw/zinc/94/88/65/559948865.db2.gz FYAXRTXTDFBQHV-UHFFFAOYSA-N -1 1 355.350 2.175 20 0 FEADMM CC[C@H](O)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436690056 559948931 /nfs/dbraw/zinc/94/89/31/559948931.db2.gz XRJZLJHBZUYECX-AWEZNQCLSA-N -1 1 364.348 2.423 20 0 FEADMM CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436711168 559949660 /nfs/dbraw/zinc/94/96/60/559949660.db2.gz DXDOMZYGAHCFCG-IUCAKERBSA-N -1 1 366.418 2.338 20 0 FEADMM CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2ccc([O-])cc2F)s1 ZINC000436711469 559949671 /nfs/dbraw/zinc/94/96/71/559949671.db2.gz IHZYFWACZDHTSW-BDAKNGLRSA-N -1 1 366.418 2.338 20 0 FEADMM CCOC(=O)c1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(O)c1 ZINC000436712861 559949792 /nfs/dbraw/zinc/94/97/92/559949792.db2.gz PITAVFVYQFRTHR-UHFFFAOYSA-N -1 1 358.350 2.485 20 0 FEADMM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000436716384 559949827 /nfs/dbraw/zinc/94/98/27/559949827.db2.gz AIKMKQWKGJIGHZ-LBPRGKRZSA-N -1 1 366.414 2.018 20 0 FEADMM CNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436760184 559951325 /nfs/dbraw/zinc/95/13/25/559951325.db2.gz NGLDPYJAGFVOQZ-UHFFFAOYSA-N -1 1 363.211 2.444 20 0 FEADMM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436786036 559952084 /nfs/dbraw/zinc/95/20/84/559952084.db2.gz RBPZIPVBIRWOFJ-UHFFFAOYSA-N -1 1 364.379 2.158 20 0 FEADMM COC(=O)[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc21 ZINC000436787453 559952109 /nfs/dbraw/zinc/95/21/09/559952109.db2.gz OQUFURNURIZHGX-OAHLLOKOSA-N -1 1 354.362 2.268 20 0 FEADMM COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436820583 559953055 /nfs/dbraw/zinc/95/30/55/559953055.db2.gz HMRXXYVQXWPSPO-UHFFFAOYSA-N -1 1 374.359 2.120 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)ccc1O ZINC000436820841 559953132 /nfs/dbraw/zinc/95/31/32/559953132.db2.gz STVYXBBGEKVNSG-UHFFFAOYSA-N -1 1 373.390 2.165 20 0 FEADMM Cn1c(CNC(=O)c2cc(Br)ccc2[O-])nnc1C1CC1 ZINC000436861519 559954764 /nfs/dbraw/zinc/95/47/64/559954764.db2.gz KPGBUBPVYBWWTC-UHFFFAOYSA-N -1 1 351.204 2.091 20 0 FEADMM CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000436881945 559955055 /nfs/dbraw/zinc/95/50/55/559955055.db2.gz VYRMLDWFJRJMOT-UHFFFAOYSA-N -1 1 363.391 2.413 20 0 FEADMM Cn1ccnc1[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1F ZINC000436888012 559955589 /nfs/dbraw/zinc/95/55/89/559955589.db2.gz SHOXTLRVANKEAI-MRXNPFEDSA-N -1 1 353.353 2.353 20 0 FEADMM Cc1ccc2nc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])ccc2c1 ZINC000436908616 559956117 /nfs/dbraw/zinc/95/61/17/559956117.db2.gz WDDKQWQPBYFYEC-UHFFFAOYSA-N -1 1 357.391 2.149 20 0 FEADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2ncc(F)cn2)CC1 ZINC000436917831 559956384 /nfs/dbraw/zinc/95/63/84/559956384.db2.gz CFESSKBJNWIZAC-UHFFFAOYSA-N -1 1 352.369 2.437 20 0 FEADMM COc1ccccc1[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1noc(C)n1 ZINC000436954380 559957412 /nfs/dbraw/zinc/95/74/12/559957412.db2.gz GEHFLRCVCWPAPC-MRXNPFEDSA-N -1 1 367.361 2.181 20 0 FEADMM CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)C1(C)C ZINC000436982087 559958331 /nfs/dbraw/zinc/95/83/31/559958331.db2.gz FRPHBJHUVFDMEF-CXAGYDPISA-N -1 1 357.834 2.350 20 0 FEADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000436984707 559958441 /nfs/dbraw/zinc/95/84/41/559958441.db2.gz MRRUJLSZKCRZNR-ZETCQYMHSA-N -1 1 360.233 2.367 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1 ZINC000436984707 559958442 /nfs/dbraw/zinc/95/84/42/559958442.db2.gz MRRUJLSZKCRZNR-ZETCQYMHSA-N -1 1 360.233 2.367 20 0 FEADMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436984191 559958525 /nfs/dbraw/zinc/95/85/25/559958525.db2.gz AFDUFZRUMIGNET-UHFFFAOYSA-N -1 1 359.353 2.306 20 0 FEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCCc3ccc(F)cc32)c1 ZINC000437001058 559959178 /nfs/dbraw/zinc/95/91/78/559959178.db2.gz JRUGGNXNJXUOHX-UHFFFAOYSA-N -1 1 351.355 2.371 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437278938 559962724 /nfs/dbraw/zinc/96/27/24/559962724.db2.gz BUDFMDQWELLBFR-DLBZAZTESA-N -1 1 361.401 2.343 20 0 FEADMM COC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(F)cc1 ZINC000437395023 559964053 /nfs/dbraw/zinc/96/40/53/559964053.db2.gz UCFFLTYNVDIKDC-MRXNPFEDSA-N -1 1 372.400 2.237 20 0 FEADMM COc1cc(NC(=O)N[C@@H](C)CC(C)(C)OC)ccc1[N-]S(C)(=O)=O ZINC000438062492 559973612 /nfs/dbraw/zinc/97/36/12/559973612.db2.gz DSOKAWCZWUOZFM-NSHDSACASA-N -1 1 373.475 2.392 20 0 FEADMM COc1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1O ZINC000438112446 559974189 /nfs/dbraw/zinc/97/41/89/559974189.db2.gz AJZRBNKGTXQTAH-UHFFFAOYSA-N -1 1 356.382 2.337 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438382383 559978210 /nfs/dbraw/zinc/97/82/10/559978210.db2.gz WWIZDHMFVGINSP-FPMFFAJLSA-N -1 1 356.426 2.119 20 0 FEADMM COC(=O)c1cc(-c2csc(NC(=O)C(=O)c3ccc([O-])cc3)n2)c[nH]1 ZINC000438775809 559983445 /nfs/dbraw/zinc/98/34/45/559983445.db2.gz YHNFODWOGLSKJR-UHFFFAOYSA-N -1 1 371.374 2.452 20 0 FEADMM CO[C@@H]1C[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1(C)C ZINC000439994851 560002830 /nfs/dbraw/zinc/00/28/30/560002830.db2.gz AFVVMAGHFIPHLO-LSDHHAIUSA-N -1 1 356.426 2.025 20 0 FEADMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000442743279 560055720 /nfs/dbraw/zinc/05/57/20/560055720.db2.gz BLKCLXVEKCGPMK-CFVMTHIKSA-N -1 1 355.456 2.166 20 0 FEADMM COc1cc(C(=O)NCCC(=O)NCc2ccccc2)cc(Cl)c1[O-] ZINC000442951922 560063330 /nfs/dbraw/zinc/06/33/30/560063330.db2.gz PSCRMNPYQFLWKY-UHFFFAOYSA-N -1 1 362.813 2.491 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(c2ccccc2)CCCC1 ZINC000443127182 560071971 /nfs/dbraw/zinc/07/19/71/560071971.db2.gz JBXZSUQOESGLEB-UHFFFAOYSA-N -1 1 363.439 2.334 20 0 FEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000443347515 560081491 /nfs/dbraw/zinc/08/14/91/560081491.db2.gz XWMOJHWZSTURBL-NEPJUHHUSA-N -1 1 357.476 2.470 20 0 FEADMM Cc1nc(=NC(=O)c2cnc3ccc(Br)cc3c2O)s[n-]1 ZINC000444298195 560108635 /nfs/dbraw/zinc/10/86/35/560108635.db2.gz MEZBANYWINFYCX-UHFFFAOYSA-N -1 1 365.212 2.125 20 0 FEADMM CCCC(=O)NCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444376320 560112360 /nfs/dbraw/zinc/11/23/60/560112360.db2.gz SLRMKZVHGCALLP-UHFFFAOYSA-N -1 1 361.442 2.310 20 0 FEADMM Cc1cnc(C(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000444423182 560113450 /nfs/dbraw/zinc/11/34/50/560113450.db2.gz IMODWNALIDOGJA-NSHDSACASA-N -1 1 354.328 2.094 20 0 FEADMM COc1ccc(-c2nc(CC(=O)NCc3cccc(F)c3)no2)c([O-])c1 ZINC000445751536 560134671 /nfs/dbraw/zinc/13/46/71/560134671.db2.gz SKJKKKSASGKKTA-UHFFFAOYSA-N -1 1 357.341 2.449 20 0 FEADMM COc1cc(NC(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000446159248 560140852 /nfs/dbraw/zinc/14/08/52/560140852.db2.gz YRYHBVPXNDAAIY-QJPTWQEYSA-N -1 1 371.459 2.096 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)o1 ZINC000446374469 560145286 /nfs/dbraw/zinc/14/52/86/560145286.db2.gz KNNRGYRVOWGZCN-ZDUSSCGKSA-N -1 1 350.440 2.199 20 0 FEADMM CC(=O)Nc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cn1 ZINC000447623357 560165496 /nfs/dbraw/zinc/16/54/96/560165496.db2.gz XKQOGYOCBAMJFN-UHFFFAOYSA-N -1 1 364.199 2.438 20 0 FEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000447793307 560169206 /nfs/dbraw/zinc/16/92/06/560169206.db2.gz FFHMPASOHQMBCS-UHFFFAOYSA-N -1 1 360.313 2.327 20 0 FEADMM CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000448183486 560179943 /nfs/dbraw/zinc/17/99/43/560179943.db2.gz WOROIDQQQPBXEI-MRXNPFEDSA-N -1 1 368.499 2.103 20 0 FEADMM Cc1cc(F)cc2c(O)c(C(=O)N=c3cc(C(F)(F)F)[n-][nH]3)cnc12 ZINC000448516689 560188835 /nfs/dbraw/zinc/18/88/35/560188835.db2.gz KODGBMMMAVVHHE-UHFFFAOYSA-N -1 1 354.263 2.970 20 0 FEADMM Cc1cc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cs1 ZINC000449269190 560222575 /nfs/dbraw/zinc/22/25/75/560222575.db2.gz MMKUONXLSNLTLD-UHFFFAOYSA-N -1 1 371.450 2.007 20 0 FEADMM CCOC(=O)c1csc(=NC2CCN(C(=O)CC(F)(F)F)CC2)[n-]1 ZINC000450306678 560257800 /nfs/dbraw/zinc/25/78/00/560257800.db2.gz UINQCJLMHISUJQ-UHFFFAOYSA-N -1 1 365.377 2.675 20 0 FEADMM CC(C)(C)n1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)nn1 ZINC000450698547 560270660 /nfs/dbraw/zinc/27/06/60/560270660.db2.gz POUHYLHBFRHCHK-UHFFFAOYSA-N -1 1 361.793 2.430 20 0 FEADMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1nc(CC)n[nH]1 ZINC000451029886 560283396 /nfs/dbraw/zinc/28/33/96/560283396.db2.gz SBJHWCITMJTMTD-UHFFFAOYSA-N -1 1 365.459 2.040 20 0 FEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)C)c(F)c1 ZINC000451104633 560287417 /nfs/dbraw/zinc/28/74/17/560287417.db2.gz RZLJGMKAGHXQMD-UHFFFAOYSA-N -1 1 366.480 2.302 20 0 FEADMM CN(CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)CC(F)(F)F ZINC000451199335 560292563 /nfs/dbraw/zinc/29/25/63/560292563.db2.gz QYARRJOORSYWTP-UHFFFAOYSA-N -1 1 354.325 2.344 20 0 FEADMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000451308675 560299454 /nfs/dbraw/zinc/29/94/54/560299454.db2.gz DFOFWCSOZVILCR-SNVBAGLBSA-N -1 1 358.872 2.454 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)c1 ZINC000451610011 560317346 /nfs/dbraw/zinc/31/73/46/560317346.db2.gz FQRVGGHIYLRKFN-LLVKDONJSA-N -1 1 353.421 2.234 20 0 FEADMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000451952605 560340316 /nfs/dbraw/zinc/34/03/16/560340316.db2.gz HDNIEOOKAHWPCB-ZCFIWIBFSA-N -1 1 359.662 2.450 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ncccc2C)o1 ZINC000451813305 560330302 /nfs/dbraw/zinc/33/03/02/560330302.db2.gz VLLBPEFLGGLVEN-UHFFFAOYSA-N -1 1 352.412 2.071 20 0 FEADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)[C@H](C)O ZINC000451893132 560335136 /nfs/dbraw/zinc/33/51/36/560335136.db2.gz OQBSXTUCODQMDI-CPCISQLKSA-N -1 1 370.254 2.218 20 0 FEADMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000452061792 560348821 /nfs/dbraw/zinc/34/88/21/560348821.db2.gz WIQFBKAJYYUZJE-RQJHMYQMSA-N -1 1 355.218 2.065 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)o1 ZINC000452160586 560354119 /nfs/dbraw/zinc/35/41/19/560354119.db2.gz CYQUIQFPMIEKJL-UHFFFAOYSA-N -1 1 366.443 2.313 20 0 FEADMM CC(C)c1nc(CNC(=O)c2cc(F)cc(Br)c2[O-])n[nH]1 ZINC000452426731 560364320 /nfs/dbraw/zinc/36/43/20/560364320.db2.gz ZARVMTIWZCQWLT-UHFFFAOYSA-N -1 1 357.183 2.465 20 0 FEADMM COCCCn1cc(C)c(=NC(=O)c2cnc3ccc(C)cc3c2[O-])[nH]1 ZINC000452439441 560364716 /nfs/dbraw/zinc/36/47/16/560364716.db2.gz HOHWLDIEIYLRRE-UHFFFAOYSA-N -1 1 354.410 2.630 20 0 FEADMM CCO[C@@H]1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@H]1C ZINC000452834755 560375874 /nfs/dbraw/zinc/37/58/74/560375874.db2.gz QLHSTQNIZSRXMH-MLGOLLRUSA-N -1 1 360.458 2.258 20 0 FEADMM CO[C@@H]1C[C@@H](N(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000456663498 560527875 /nfs/dbraw/zinc/52/78/75/560527875.db2.gz VVUBTEHNVINKGM-HUUCEWRRSA-N -1 1 358.442 2.010 20 0 FEADMM CO[C@H]1C[C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C12CCC2 ZINC000458239330 560610786 /nfs/dbraw/zinc/61/07/86/560610786.db2.gz SJTBPSYWKAHFBS-GJZGRUSLSA-N -1 1 358.442 2.058 20 0 FEADMM CC[C@@H]1OCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000458279410 560612721 /nfs/dbraw/zinc/61/27/21/560612721.db2.gz CAXMGUFKGLZGSV-PWSUYJOCSA-N -1 1 361.179 2.294 20 0 FEADMM CCOc1cc(C[N@@H+]2CC[C@](CO)(COC)C2)cc(Br)c1O ZINC000459560492 560694159 /nfs/dbraw/zinc/69/41/59/560694159.db2.gz ALEHWFJMSRAGEJ-INIZCTEOSA-N -1 1 374.275 2.384 20 0 FEADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)ccc2[nH]1 ZINC000460426341 560743519 /nfs/dbraw/zinc/74/35/19/560743519.db2.gz OENYOQUMISIKPL-UHFFFAOYSA-N -1 1 368.422 2.468 20 0 FEADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)n1 ZINC000460568790 560746373 /nfs/dbraw/zinc/74/63/73/560746373.db2.gz ZBGLZJDZJPADDG-UHFFFAOYSA-N -1 1 354.285 2.206 20 0 FEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1 ZINC000460829429 560752942 /nfs/dbraw/zinc/75/29/42/560752942.db2.gz MCCYDXXCNYEYDR-UHFFFAOYSA-N -1 1 371.422 2.051 20 0 FEADMM Cc1nn(C)c2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc12 ZINC000461339544 560767130 /nfs/dbraw/zinc/76/71/30/560767130.db2.gz JSEAKPQQFGVLAH-UHFFFAOYSA-N -1 1 351.409 2.442 20 0 FEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc12 ZINC000461347151 560767553 /nfs/dbraw/zinc/76/75/53/560767553.db2.gz PGVOLOROEQLJFW-UHFFFAOYSA-N -1 1 357.395 2.264 20 0 FEADMM CC[C@@H](C)n1ncc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])c1C ZINC000461457130 560772233 /nfs/dbraw/zinc/77/22/33/560772233.db2.gz OKYKUOOUBVYVBU-SNVBAGLBSA-N -1 1 366.443 2.029 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cccc(F)c2F)c1 ZINC000461461100 560772405 /nfs/dbraw/zinc/77/24/05/560772405.db2.gz RAPKCQOTGYPWCJ-UHFFFAOYSA-N -1 1 370.377 2.150 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000461461695 560772586 /nfs/dbraw/zinc/77/25/86/560772586.db2.gz ALBJFKRKEKLHMY-NSHDSACASA-N -1 1 366.464 2.420 20 0 FEADMM Cc1nc(COc2cccc(C(=O)NC(C)(C)c3nn[n-]n3)c2)cs1 ZINC000461644298 560778693 /nfs/dbraw/zinc/77/86/93/560778693.db2.gz BCFDRUMZOYSGQC-UHFFFAOYSA-N -1 1 358.427 2.209 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463687315 560821214 /nfs/dbraw/zinc/82/12/14/560821214.db2.gz QLGUOUGNUGLOPM-UHFFFAOYSA-N -1 1 365.397 2.326 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C1CC1 ZINC000466877474 560898169 /nfs/dbraw/zinc/89/81/69/560898169.db2.gz MSJSDUHIJRCTDW-LBPRGKRZSA-N -1 1 352.239 2.364 20 0 FEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(F)c(F)c2)c1OC ZINC000467299832 560908180 /nfs/dbraw/zinc/90/81/80/560908180.db2.gz NIOIMXANFLSMOW-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CC[C@@]1(C)CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000467778727 560917144 /nfs/dbraw/zinc/91/71/44/560917144.db2.gz SCWDTFDKZGMMTE-AWEZNQCLSA-N -1 1 364.464 2.008 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nc2c(cccc2F)n1C ZINC000468358139 560927849 /nfs/dbraw/zinc/92/78/49/560927849.db2.gz SRLXNEZHRKQHIY-UHFFFAOYSA-N -1 1 368.372 2.259 20 0 FEADMM COc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)cc(Cl)c1[O-] ZINC000468480904 560931277 /nfs/dbraw/zinc/93/12/77/560931277.db2.gz NTVUMBAIWPKWJX-LLVKDONJSA-N -1 1 355.818 2.464 20 0 FEADMM COc1ccc(NC(=O)CC2(O)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000468607292 560933806 /nfs/dbraw/zinc/93/38/06/560933806.db2.gz JDSXRLGIIIYLLQ-UHFFFAOYSA-N -1 1 356.444 2.091 20 0 FEADMM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)[nH]n1 ZINC000468768274 560938379 /nfs/dbraw/zinc/93/83/79/560938379.db2.gz AZCODPQGJCLVMZ-UHFFFAOYSA-N -1 1 371.484 2.203 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000470978067 560995787 /nfs/dbraw/zinc/99/57/87/560995787.db2.gz XGGGYSYGEAJJJP-UHFFFAOYSA-N -1 1 373.829 2.213 20 0 FEADMM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470988940 560995891 /nfs/dbraw/zinc/99/58/91/560995891.db2.gz KNBYJFPZVMJEDO-UHFFFAOYSA-N -1 1 351.414 2.102 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000471114581 560998529 /nfs/dbraw/zinc/99/85/29/560998529.db2.gz VVOFVLVVIPZFQP-UHFFFAOYSA-N -1 1 367.448 2.484 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000471593315 561008135 /nfs/dbraw/zinc/00/81/35/561008135.db2.gz JSHXPZBSJNWSHB-UHFFFAOYSA-N -1 1 369.370 2.187 20 0 FEADMM COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C)c1ccco1 ZINC000472586623 561029912 /nfs/dbraw/zinc/02/99/12/561029912.db2.gz PQYJGHWHKHCRSG-ZDUSSCGKSA-N -1 1 371.386 2.180 20 0 FEADMM C[C@H]1C[C@H](O)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472995545 561039766 /nfs/dbraw/zinc/03/97/66/561039766.db2.gz CIZTVVLARYLJMZ-BBRMVZONSA-N -1 1 360.435 2.083 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000473270062 561046009 /nfs/dbraw/zinc/04/60/09/561046009.db2.gz OYWZBXUGJXCLBH-CABZTGNLSA-N -1 1 359.382 2.418 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000473279386 561046370 /nfs/dbraw/zinc/04/63/70/561046370.db2.gz ASKUHSWTPLDIGO-UHFFFAOYSA-N -1 1 361.398 2.003 20 0 FEADMM O=C(CNC(=O)c1ncccc1[O-])N1CC=C(c2c(F)cccc2F)CC1 ZINC000474313371 561071015 /nfs/dbraw/zinc/07/10/15/561071015.db2.gz BVWGTUAJIRZQHI-UHFFFAOYSA-N -1 1 373.359 2.111 20 0 FEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)c(OC)c2)cc1 ZINC000474319258 561071139 /nfs/dbraw/zinc/07/11/39/561071139.db2.gz VHCCGYDYFQTBFG-UHFFFAOYSA-N -1 1 365.411 2.385 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000474479266 561075103 /nfs/dbraw/zinc/07/51/03/561075103.db2.gz BIIOPSLOGVSVMU-UHFFFAOYSA-N -1 1 369.450 2.387 20 0 FEADMM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1oc(CC(C)C)nc1C ZINC000475820987 561106134 /nfs/dbraw/zinc/10/61/34/561106134.db2.gz LLWAUHMMUQNIJK-UHFFFAOYSA-N -1 1 363.370 2.335 20 0 FEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2oc(CC3CC3)nc2C)s1 ZINC000475922778 561107935 /nfs/dbraw/zinc/10/79/35/561107935.db2.gz XOYCHXIZCQZUCB-UHFFFAOYSA-N -1 1 350.400 2.145 20 0 FEADMM CC(C)(NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1nn[n-]n1 ZINC000476107114 561111364 /nfs/dbraw/zinc/11/13/64/561111364.db2.gz FIMNLQQYJBLMPS-UHFFFAOYSA-N -1 1 363.472 2.136 20 0 FEADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1(O)CCC1 ZINC000476239480 561114191 /nfs/dbraw/zinc/11/41/91/561114191.db2.gz QBDTYLDVVPOYQF-UHFFFAOYSA-N -1 1 374.462 2.361 20 0 FEADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000476523323 561121706 /nfs/dbraw/zinc/12/17/06/561121706.db2.gz KOASUESIWPQIAR-WBMJQRKESA-N -1 1 372.487 2.422 20 0 FEADMM CCc1cnc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC000476742668 561127473 /nfs/dbraw/zinc/12/74/73/561127473.db2.gz GNWRTECDLJKYFL-UHFFFAOYSA-N -1 1 367.409 2.352 20 0 FEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000476904005 561131549 /nfs/dbraw/zinc/13/15/49/561131549.db2.gz QQXNQGJYHPMLNE-UHFFFAOYSA-N -1 1 369.331 2.128 20 0 FEADMM CC1(C)CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000476931101 561132311 /nfs/dbraw/zinc/13/23/11/561132311.db2.gz HPCZPQPULQVYAK-UHFFFAOYSA-N -1 1 364.464 2.008 20 0 FEADMM CC(C)COc1ccc(C2(C(=O)NC3(c4nn[n-]n4)CC3)CCC2)cc1 ZINC000477046497 561135091 /nfs/dbraw/zinc/13/50/91/561135091.db2.gz DNWQONAGPRRABI-UHFFFAOYSA-N -1 1 355.442 2.462 20 0 FEADMM COc1ccc2nc(C3CC3)cc(C(=O)NC3(c4nn[n-]n4)CC3)c2c1 ZINC000477066279 561135795 /nfs/dbraw/zinc/13/57/95/561135795.db2.gz YARZMGDXCOUBJB-UHFFFAOYSA-N -1 1 350.382 2.053 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(C(C)(C)c3cc(C)ccn3)no2)o1 ZINC000528265313 562320018 /nfs/dbraw/zinc/32/00/18/562320018.db2.gz IMICJPRGAHQYLM-UHFFFAOYSA-N -1 1 362.411 2.267 20 0 FEADMM COc1cccc([C@H]2CN(S(=O)(=O)c3c(C)o[n-]c3=N)CC2(C)C)c1 ZINC000528471047 562330903 /nfs/dbraw/zinc/33/09/03/562330903.db2.gz DHEFBVFFSGJTEU-CQSZACIVSA-N -1 1 365.455 2.388 20 0 FEADMM COCCC1CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000529633568 562379587 /nfs/dbraw/zinc/37/95/87/562379587.db2.gz WVHHOWZWXJEBPO-UHFFFAOYSA-N -1 1 370.453 2.370 20 0 FEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529944382 562392359 /nfs/dbraw/zinc/39/23/59/562392359.db2.gz ONSXJUPPYXAOMM-GFCCVEGCSA-N -1 1 361.373 2.444 20 0 FEADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530064668 562396582 /nfs/dbraw/zinc/39/65/82/562396582.db2.gz JIXATYCDBDHEMM-NLQQUQSOSA-N -1 1 358.257 2.280 20 0 FEADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530134979 562399174 /nfs/dbraw/zinc/39/91/74/562399174.db2.gz SLLBQDCSRZKMAA-UHFFFAOYSA-N -1 1 372.446 2.123 20 0 FEADMM CCn1cccc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c1=O ZINC000530139352 562399454 /nfs/dbraw/zinc/39/94/54/562399454.db2.gz ZBPLYAJVMHHMRN-HNNXBMFYSA-N -1 1 354.403 2.137 20 0 FEADMM CO[C@@H](CS(=O)(=O)[N-]c1nc2cccnc2n1C)c1ccc(F)cc1 ZINC000530156244 562400430 /nfs/dbraw/zinc/40/04/30/562400430.db2.gz UMWIPTKURMPCJZ-AWEZNQCLSA-N -1 1 364.402 2.237 20 0 FEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)cc1 ZINC000530722334 562421945 /nfs/dbraw/zinc/42/19/45/562421945.db2.gz YSQNXIWIYUFZPF-UHFFFAOYSA-N -1 1 358.423 2.042 20 0 FEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)c1 ZINC000530776819 562423652 /nfs/dbraw/zinc/42/36/52/562423652.db2.gz KFZQHLWCIRSZIH-UHFFFAOYSA-N -1 1 366.377 2.217 20 0 FEADMM O=C(NC[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1[O-] ZINC000531874573 562459680 /nfs/dbraw/zinc/45/96/80/562459680.db2.gz YOCRSWLNQHDMNX-JTQLQIEISA-N -1 1 354.200 2.329 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(Oc2ccccn2)CC1 ZINC000532299192 562473068 /nfs/dbraw/zinc/47/30/68/562473068.db2.gz XFMWACFPTXTOBS-UHFFFAOYSA-N -1 1 360.439 2.291 20 0 FEADMM Cc1ccc2c(=O)c(C(=O)NCc3cnn(CC(F)(F)F)c3)c[n-]c2[nH+]1 ZINC000532438388 562478182 /nfs/dbraw/zinc/47/81/82/562478182.db2.gz KRBWVWKBFJIFSJ-UHFFFAOYSA-N -1 1 365.315 2.333 20 0 FEADMM Cc1ccc2c([O-])c(C(=O)NCc3cnn(CC(F)(F)F)c3)cnc2n1 ZINC000532438388 562478183 /nfs/dbraw/zinc/47/81/83/562478183.db2.gz KRBWVWKBFJIFSJ-UHFFFAOYSA-N -1 1 365.315 2.333 20 0 FEADMM COCC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000532528174 562480422 /nfs/dbraw/zinc/48/04/22/562480422.db2.gz BIXDEUXGEAIFNZ-UHFFFAOYSA-N -1 1 360.435 2.396 20 0 FEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000533181857 562500694 /nfs/dbraw/zinc/50/06/94/562500694.db2.gz FRXBUNAPWKOQPY-OLZOCXBDSA-N -1 1 352.508 2.311 20 0 FEADMM O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cncc([O-])c1 ZINC000533191470 562501050 /nfs/dbraw/zinc/50/10/50/562501050.db2.gz RVACPCLPHLLSCK-GFCCVEGCSA-N -1 1 354.328 2.387 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)c(=O)[n-]1 ZINC000533364901 562506558 /nfs/dbraw/zinc/50/65/58/562506558.db2.gz MBMASPPPZNKFPR-KGLIPLIRSA-N -1 1 365.499 2.420 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000534206194 562527437 /nfs/dbraw/zinc/52/74/37/562527437.db2.gz HYZXKLKGGWPUFW-UHFFFAOYSA-N -1 1 359.363 2.324 20 0 FEADMM CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc1C ZINC000534310894 562531051 /nfs/dbraw/zinc/53/10/51/562531051.db2.gz SHASMXICYAIBNF-QGZVFWFLSA-N -1 1 362.499 2.154 20 0 FEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cn[nH]c1 ZINC000534549329 562536539 /nfs/dbraw/zinc/53/65/39/562536539.db2.gz CIOMBIXZENDWIC-LLVKDONJSA-N -1 1 352.398 2.086 20 0 FEADMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000534829505 562543236 /nfs/dbraw/zinc/54/32/36/562543236.db2.gz RZIYFPZHDDVTPP-LBPRGKRZSA-N -1 1 355.309 2.472 20 0 FEADMM COc1ccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)cc1OC ZINC000535176684 562552597 /nfs/dbraw/zinc/55/25/97/562552597.db2.gz XYOJTFDFTZOSEY-UHFFFAOYSA-N -1 1 356.407 2.220 20 0 FEADMM CN(C(=O)c1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1)c1ccccc1 ZINC000535290248 562555071 /nfs/dbraw/zinc/55/50/71/562555071.db2.gz QUHFPBXZSUDWCP-UHFFFAOYSA-N -1 1 364.409 2.141 20 0 FEADMM N=c1nc(N2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)s[n-]1 ZINC000535825790 562569034 /nfs/dbraw/zinc/56/90/34/562569034.db2.gz SMVOJXHXUKWHLD-UHFFFAOYSA-N -1 1 359.377 2.341 20 0 FEADMM CN1C(=O)C[C@H](NC(=O)c2cncc([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535880144 562570162 /nfs/dbraw/zinc/57/01/62/562570162.db2.gz KLZXEVAYSHJELD-HOCLYGCPSA-N -1 1 363.776 2.282 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3ccnn3)cc2)sc1C ZINC000535896729 562570458 /nfs/dbraw/zinc/57/04/58/562570458.db2.gz LEAIEKKDOISVIJ-NSHDSACASA-N -1 1 363.468 2.380 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc(Cl)cn1 ZINC000536450668 562575785 /nfs/dbraw/zinc/57/57/85/562575785.db2.gz PFEIBUGHEHLLNS-UHFFFAOYSA-N -1 1 367.814 2.134 20 0 FEADMM Cc1cccc(-c2nnc(Sc3nc4c(cnn4C)c(=O)[n-]3)n2C)c1 ZINC000536532136 562577992 /nfs/dbraw/zinc/57/79/92/562577992.db2.gz BWKRSFPYTVKQQU-UHFFFAOYSA-N -1 1 353.411 2.324 20 0 FEADMM Cn1nc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1C1CC1 ZINC000536941097 562582977 /nfs/dbraw/zinc/58/29/77/562582977.db2.gz VVTSSCHGPAKOFH-UHFFFAOYSA-N -1 1 352.391 2.060 20 0 FEADMM Cc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cnn1-c1ccc(C)cc1 ZINC000537124343 562585958 /nfs/dbraw/zinc/58/59/58/562585958.db2.gz MFJOIQZPMBOQDR-CQSZACIVSA-N -1 1 351.414 2.022 20 0 FEADMM Cc1ccc(S[C@H](C)C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540806018 562593577 /nfs/dbraw/zinc/59/35/77/562593577.db2.gz BMCGQVPDDVHKNL-LLVKDONJSA-N -1 1 366.464 2.467 20 0 FEADMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)c2)n1 ZINC000541164614 562604843 /nfs/dbraw/zinc/60/48/43/562604843.db2.gz JLDHLXWKDRQUPW-UHFFFAOYSA-N -1 1 356.407 2.313 20 0 FEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)no1 ZINC000541385292 562610946 /nfs/dbraw/zinc/61/09/46/562610946.db2.gz BYLKIHMPNYMKKF-UHFFFAOYSA-N -1 1 366.624 2.272 20 0 FEADMM COc1cc(C(=O)[N-]c2ccccc2S(=O)(=O)N2CCCCC2)on1 ZINC000541569097 562615451 /nfs/dbraw/zinc/61/54/51/562615451.db2.gz RYWWACVRYIONBT-UHFFFAOYSA-N -1 1 365.411 2.110 20 0 FEADMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000541840517 562621228 /nfs/dbraw/zinc/62/12/28/562621228.db2.gz DUKZQJDZYYSTFK-MRVPVSSYSA-N -1 1 366.208 2.085 20 0 FEADMM CC(C)(O)CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545511089 562628462 /nfs/dbraw/zinc/62/84/62/562628462.db2.gz WXSDJYVSPGVZAX-UHFFFAOYSA-N -1 1 363.439 2.380 20 0 FEADMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549721691 562638421 /nfs/dbraw/zinc/63/84/21/562638421.db2.gz FYBWONIISPKSIJ-QMMMGPOBSA-N -1 1 353.391 2.410 20 0 FEADMM Cn1cc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c(C(F)(F)F)n1 ZINC000549782363 562639735 /nfs/dbraw/zinc/63/97/35/562639735.db2.gz LXABODORJNSRAI-UHFFFAOYSA-N -1 1 369.315 2.238 20 0 FEADMM CCOC(=O)c1nc(CNC(=O)[C@H](C)CSCc2ccccc2)n[n-]1 ZINC000603013613 568047758 /nfs/dbraw/zinc/04/77/58/568047758.db2.gz DCXBWSBSYADLMK-GFCCVEGCSA-N -1 1 362.455 2.167 20 0 FEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)CSCc2ccccc2)n1 ZINC000603013613 568047760 /nfs/dbraw/zinc/04/77/60/568047760.db2.gz DCXBWSBSYADLMK-GFCCVEGCSA-N -1 1 362.455 2.167 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2c(F)ccc(F)c2Cl)n[n-]1 ZINC000603152531 568065084 /nfs/dbraw/zinc/06/50/84/568065084.db2.gz DIFTWWYPUYUYMK-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2c(F)ccc(F)c2Cl)[n-]1 ZINC000603152531 568065085 /nfs/dbraw/zinc/06/50/85/568065085.db2.gz DIFTWWYPUYUYMK-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2c(F)ccc(F)c2Cl)n1 ZINC000603152531 568065086 /nfs/dbraw/zinc/06/50/86/568065086.db2.gz DIFTWWYPUYUYMK-ZCFIWIBFSA-N -1 1 358.732 2.404 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)n[n-]1 ZINC000603153039 568065184 /nfs/dbraw/zinc/06/51/84/568065184.db2.gz FWDXQKPXHZRBDF-LLVKDONJSA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)[n-]1 ZINC000603153039 568065185 /nfs/dbraw/zinc/06/51/85/568065185.db2.gz FWDXQKPXHZRBDF-LLVKDONJSA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)n1 ZINC000603153039 568065186 /nfs/dbraw/zinc/06/51/86/568065186.db2.gz FWDXQKPXHZRBDF-LLVKDONJSA-N -1 1 360.389 2.420 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCCc2ccc(F)c(F)c2)n[n-]1 ZINC000603156199 568068674 /nfs/dbraw/zinc/06/86/74/568068674.db2.gz QYZNBJPEHCLVBD-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCCc2ccc(F)c(F)c2)[n-]1 ZINC000603156199 568068675 /nfs/dbraw/zinc/06/86/75/568068675.db2.gz QYZNBJPEHCLVBD-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCCc2ccc(F)c(F)c2)n1 ZINC000603156199 568068676 /nfs/dbraw/zinc/06/86/76/568068676.db2.gz QYZNBJPEHCLVBD-JTQLQIEISA-N -1 1 366.368 2.460 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2SCCc3ccccc32)n[n-]1 ZINC000603158416 568069004 /nfs/dbraw/zinc/06/90/04/568069004.db2.gz YFUVEYVINJHCTC-ZWNOBZJWSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2SCCc3ccccc32)[n-]1 ZINC000603158416 568069005 /nfs/dbraw/zinc/06/90/05/568069005.db2.gz YFUVEYVINJHCTC-ZWNOBZJWSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2SCCc3ccccc32)n1 ZINC000603158416 568069006 /nfs/dbraw/zinc/06/90/06/568069006.db2.gz YFUVEYVINJHCTC-ZWNOBZJWSA-N -1 1 360.439 2.189 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)n[n-]1 ZINC000603159426 568069140 /nfs/dbraw/zinc/06/91/40/568069140.db2.gz BRPHLAYBSFVQNG-AEJSXWLSSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)[n-]1 ZINC000603159426 568069141 /nfs/dbraw/zinc/06/91/41/568069141.db2.gz BRPHLAYBSFVQNG-AEJSXWLSSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000603159426 568069142 /nfs/dbraw/zinc/06/91/42/568069142.db2.gz BRPHLAYBSFVQNG-AEJSXWLSSA-N -1 1 364.352 2.241 20 0 FEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2c(F)cccc2Cl)n[n-]1 ZINC000603166864 568070361 /nfs/dbraw/zinc/07/03/61/568070361.db2.gz SDFJJRQQSQQRPZ-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2c(F)cccc2Cl)[n-]1 ZINC000603166864 568070362 /nfs/dbraw/zinc/07/03/62/568070362.db2.gz SDFJJRQQSQQRPZ-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2c(F)cccc2Cl)n1 ZINC000603166864 568070363 /nfs/dbraw/zinc/07/03/63/568070363.db2.gz SDFJJRQQSQQRPZ-QMMMGPOBSA-N -1 1 354.769 2.194 20 0 FEADMM Cc1cc(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)no1 ZINC000556392934 674400372 /nfs/dbraw/zinc/40/03/72/674400372.db2.gz PARXJMYVMSBUKA-GFCCVEGCSA-N -1 1 365.238 2.443 20 0 FEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)C(F)F)c1OC ZINC000603424013 568096320 /nfs/dbraw/zinc/09/63/20/568096320.db2.gz OKMDMTOSJSUVMC-LURJTMIESA-N -1 1 357.762 2.067 20 0 FEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CNc1ccccc1Cl ZINC000603911318 568178581 /nfs/dbraw/zinc/17/85/81/568178581.db2.gz UFAVVCKPAHZPEO-UHFFFAOYSA-N -1 1 359.817 2.433 20 0 FEADMM CO[C@@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)[C@H]1CCOC1 ZINC000617129517 568219196 /nfs/dbraw/zinc/21/91/96/568219196.db2.gz IROUHPYLTTWYAA-BONVTDFDSA-N -1 1 350.802 2.375 20 0 FEADMM Cc1cccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1C ZINC000737396399 598844049 /nfs/dbraw/zinc/84/40/49/598844049.db2.gz OJCUQIVLPULDFS-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM Cc1cccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1C ZINC000737396399 598844050 /nfs/dbraw/zinc/84/40/50/598844050.db2.gz OJCUQIVLPULDFS-UHFFFAOYSA-N -1 1 361.402 2.448 20 0 FEADMM C[C@@H](CCO)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735985514 598905852 /nfs/dbraw/zinc/90/58/52/598905852.db2.gz GTXPDTOBWCPJAE-NSHDSACASA-N -1 1 372.454 2.165 20 0 FEADMM COc1c(C)cnc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1C ZINC000737024463 598963411 /nfs/dbraw/zinc/96/34/11/598963411.db2.gz IHIWTOSHWIWLEV-UHFFFAOYSA-N -1 1 362.397 2.442 20 0 FEADMM COc1c(C)cnc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1C ZINC000737024463 598963413 /nfs/dbraw/zinc/96/34/13/598963413.db2.gz IHIWTOSHWIWLEV-UHFFFAOYSA-N -1 1 362.397 2.442 20 0 FEADMM O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173763 598994743 /nfs/dbraw/zinc/99/47/43/598994743.db2.gz ORGFFUCQPMNMPV-UHFFFAOYSA-N -1 1 350.260 2.255 20 0 FEADMM O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173763 598994744 /nfs/dbraw/zinc/99/47/44/598994744.db2.gz ORGFFUCQPMNMPV-UHFFFAOYSA-N -1 1 350.260 2.255 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737999476 599003911 /nfs/dbraw/zinc/00/39/11/599003911.db2.gz ALBJYRFJPLTDKR-QGZVFWFLSA-N -1 1 357.377 2.176 20 0 FEADMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737999476 599003913 /nfs/dbraw/zinc/00/39/13/599003913.db2.gz ALBJYRFJPLTDKR-QGZVFWFLSA-N -1 1 357.377 2.176 20 0 FEADMM Cc1cc(Br)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737231295 599006145 /nfs/dbraw/zinc/00/61/45/599006145.db2.gz MUFYZYBEMNNBDE-UHFFFAOYSA-N -1 1 373.214 2.263 20 0 FEADMM Cc1cc(Br)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737231295 599006147 /nfs/dbraw/zinc/00/61/47/599006147.db2.gz MUFYZYBEMNNBDE-UHFFFAOYSA-N -1 1 373.214 2.263 20 0 FEADMM CSC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCOCC1 ZINC000821949775 599052857 /nfs/dbraw/zinc/05/28/57/599052857.db2.gz IQHJCVWPQYBUCN-UHFFFAOYSA-N -1 1 357.443 2.134 20 0 FEADMM CSC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCOCC1 ZINC000821949775 599052860 /nfs/dbraw/zinc/05/28/60/599052860.db2.gz IQHJCVWPQYBUCN-UHFFFAOYSA-N -1 1 357.443 2.134 20 0 FEADMM O=C(c1cccc(F)c1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000556681370 674412428 /nfs/dbraw/zinc/41/24/28/674412428.db2.gz ITKMCOQZUDNELO-QMMMGPOBSA-N -1 1 354.183 2.121 20 0 FEADMM CCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n(C)n1 ZINC000736678074 599162959 /nfs/dbraw/zinc/16/29/59/599162959.db2.gz RDZYEKBKCATKNZ-UHFFFAOYSA-N -1 1 366.385 2.107 20 0 FEADMM CCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n(C)n1 ZINC000736678074 599162962 /nfs/dbraw/zinc/16/29/62/599162962.db2.gz RDZYEKBKCATKNZ-UHFFFAOYSA-N -1 1 366.385 2.107 20 0 FEADMM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000740482101 596926160 /nfs/dbraw/zinc/92/61/60/596926160.db2.gz AEMXVVYBARITDM-QGZVFWFLSA-N -1 1 352.390 2.268 20 0 FEADMM Cc1ncc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)cn1 ZINC000556795040 674420660 /nfs/dbraw/zinc/42/06/60/674420660.db2.gz HGWPEFAXJRAXIK-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM Cc1ncc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)cn1 ZINC000556795040 674420662 /nfs/dbraw/zinc/42/06/62/674420662.db2.gz HGWPEFAXJRAXIK-UHFFFAOYSA-N -1 1 355.423 2.033 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCC(=O)[O-])cc1 ZINC000740138921 597113801 /nfs/dbraw/zinc/11/38/01/597113801.db2.gz FERXSZJGWQCKGF-UHFFFAOYSA-N -1 1 368.436 2.062 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC000818864103 597235314 /nfs/dbraw/zinc/23/53/14/597235314.db2.gz ILUAADKBHHOGBX-CYBMUJFWSA-N -1 1 362.455 2.488 20 0 FEADMM O[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)COc1ccccc1 ZINC000738383027 599273711 /nfs/dbraw/zinc/27/37/11/599273711.db2.gz MYMXEHWKKUPRBR-CYBMUJFWSA-N -1 1 362.393 2.267 20 0 FEADMM O[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)COc1ccccc1 ZINC000738383027 599273712 /nfs/dbraw/zinc/27/37/12/599273712.db2.gz MYMXEHWKKUPRBR-CYBMUJFWSA-N -1 1 362.393 2.267 20 0 FEADMM CC[C@H](C)[C@H](NCC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)C(=O)[O-] ZINC000820459602 598187263 /nfs/dbraw/zinc/18/72/63/598187263.db2.gz IFNDQHUBNJFVKO-ZBEGNZNMSA-N -1 1 359.430 2.116 20 0 FEADMM O=C(c1ccoc1)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738289561 598275828 /nfs/dbraw/zinc/27/58/28/598275828.db2.gz MBMUTWLVFWVDDZ-UHFFFAOYSA-N -1 1 373.804 2.225 20 0 FEADMM O=C(c1ccoc1)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738289561 598275830 /nfs/dbraw/zinc/27/58/30/598275830.db2.gz MBMUTWLVFWVDDZ-UHFFFAOYSA-N -1 1 373.804 2.225 20 0 FEADMM c1cnc(-c2nnn[n-]2)c(NCc2ccc(OC3CCCCC3)nc2)n1 ZINC000738446403 598352547 /nfs/dbraw/zinc/35/25/47/598352547.db2.gz XOTJRMQRWDSLHS-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM c1cnc(-c2nn[n-]n2)c(NCc2ccc(OC3CCCCC3)nc2)n1 ZINC000738446403 598352550 /nfs/dbraw/zinc/35/25/50/598352550.db2.gz XOTJRMQRWDSLHS-UHFFFAOYSA-N -1 1 352.402 2.375 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000737098822 598354343 /nfs/dbraw/zinc/35/43/43/598354343.db2.gz FVBANVTZGJWOJZ-NSHDSACASA-N -1 1 372.820 2.010 20 0 FEADMM COc1ccc(Cl)cc1N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000737098822 598354345 /nfs/dbraw/zinc/35/43/45/598354345.db2.gz FVBANVTZGJWOJZ-NSHDSACASA-N -1 1 372.820 2.010 20 0 FEADMM CCc1nn(Cc2ccc(OC(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705816 598379722 /nfs/dbraw/zinc/37/97/22/598379722.db2.gz BEXLAAPLOAUMHI-UHFFFAOYSA-N -1 1 368.441 2.384 20 0 FEADMM COc1ccc(OC)c([C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC000737109438 598385633 /nfs/dbraw/zinc/38/56/33/598385633.db2.gz QXFFVRJRNCOVME-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM COc1ccc(OC)c([C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC000737109438 598385634 /nfs/dbraw/zinc/38/56/34/598385634.db2.gz QXFFVRJRNCOVME-CQSZACIVSA-N -1 1 353.386 2.015 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)N2CCCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000737190224 598455584 /nfs/dbraw/zinc/45/55/84/598455584.db2.gz VVHCVRIKSJUVDT-SNVBAGLBSA-N -1 1 374.470 2.112 20 0 FEADMM CC(C)CC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735798694 598525279 /nfs/dbraw/zinc/52/52/79/598525279.db2.gz YCGOCDXISFZHQM-TZMCWYRMSA-N -1 1 364.475 2.145 20 0 FEADMM CC(C)CC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735798694 598525280 /nfs/dbraw/zinc/52/52/80/598525280.db2.gz YCGOCDXISFZHQM-TZMCWYRMSA-N -1 1 364.475 2.145 20 0 FEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000737776426 598529249 /nfs/dbraw/zinc/52/92/49/598529249.db2.gz MWKBBQRLSWHLGC-SFYZADRCSA-N -1 1 364.196 2.396 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC(C)(C)C(C)C ZINC000737487493 598542858 /nfs/dbraw/zinc/54/28/58/598542858.db2.gz KLXLLMGVUYYWFY-UHFFFAOYSA-N -1 1 370.461 2.010 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC(C)(C)C(C)C ZINC000737487493 598542859 /nfs/dbraw/zinc/54/28/59/598542859.db2.gz KLXLLMGVUYYWFY-UHFFFAOYSA-N -1 1 370.461 2.010 20 0 FEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)c(C(F)(F)F)n1 ZINC000557096043 674436351 /nfs/dbraw/zinc/43/63/51/674436351.db2.gz XDSSQMLOLNSMAK-GXSJLCMTSA-N -1 1 363.336 2.412 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736417471 598578701 /nfs/dbraw/zinc/57/87/01/598578701.db2.gz SSJSTZYHZMAAMN-LLVKDONJSA-N -1 1 363.853 2.048 20 0 FEADMM CCCC(=O)NC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736417471 598578702 /nfs/dbraw/zinc/57/87/02/598578702.db2.gz SSJSTZYHZMAAMN-LLVKDONJSA-N -1 1 363.853 2.048 20 0 FEADMM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738383359 598580694 /nfs/dbraw/zinc/58/06/94/598580694.db2.gz BDBJTEWEKHJLDY-HNNXBMFYSA-N -1 1 371.832 2.260 20 0 FEADMM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738383359 598580695 /nfs/dbraw/zinc/58/06/95/598580695.db2.gz BDBJTEWEKHJLDY-HNNXBMFYSA-N -1 1 371.832 2.260 20 0 FEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1C1CCC1 ZINC000737200903 598597834 /nfs/dbraw/zinc/59/78/34/598597834.db2.gz OCPKNYREGCXGLB-HNNXBMFYSA-N -1 1 370.457 2.308 20 0 FEADMM CCCCc1nc(Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cs1 ZINC000736465625 598641592 /nfs/dbraw/zinc/64/15/92/598641592.db2.gz HDKKCGRSZIGQPI-UHFFFAOYSA-N -1 1 373.486 2.396 20 0 FEADMM CCc1nn(Cc2ccc(SC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706154 598641960 /nfs/dbraw/zinc/64/19/60/598641960.db2.gz HSSLDFABTWHXRE-UHFFFAOYSA-N -1 1 356.455 2.318 20 0 FEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CCC2 ZINC000737376640 598675890 /nfs/dbraw/zinc/67/58/90/598675890.db2.gz JVUGWXJHDVFWFQ-UHFFFAOYSA-N -1 1 373.413 2.456 20 0 FEADMM O=S(=O)(Oc1ccc(F)cc1F)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738338647 598687608 /nfs/dbraw/zinc/68/76/08/598687608.db2.gz HFMHJRKRUNOIBF-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM C[C@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736295900 598712473 /nfs/dbraw/zinc/71/24/73/598712473.db2.gz BGZAJCLFDAMJIN-MGPLVRAMSA-N -1 1 373.413 2.218 20 0 FEADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c(C)c1 ZINC000737356976 598719179 /nfs/dbraw/zinc/71/91/79/598719179.db2.gz LNJMLTLMIVQSMS-UHFFFAOYSA-N -1 1 374.404 2.437 20 0 FEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cc(-c3ccco3)on2)c2ccccc12 ZINC000738371390 598720206 /nfs/dbraw/zinc/72/02/06/598720206.db2.gz JRJIYFZKCBGUJP-UHFFFAOYSA-N -1 1 360.333 2.478 20 0 FEADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1 ZINC000808128270 674443304 /nfs/dbraw/zinc/44/33/04/674443304.db2.gz MRCVSYJAVYOAOV-UHFFFAOYSA-N -1 1 363.391 2.183 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)ccc1C ZINC000808128046 674443318 /nfs/dbraw/zinc/44/33/18/674443318.db2.gz CBPYPSCDALBMMM-UHFFFAOYSA-N -1 1 361.375 2.253 20 0 FEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C(C)C)C(C)C ZINC000737486267 598806048 /nfs/dbraw/zinc/80/60/48/598806048.db2.gz CKPJQDLYYSFRJL-UHFFFAOYSA-N -1 1 370.461 2.104 20 0 FEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C(C)C)C(C)C ZINC000737486267 598806049 /nfs/dbraw/zinc/80/60/49/598806049.db2.gz CKPJQDLYYSFRJL-UHFFFAOYSA-N -1 1 370.461 2.104 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(C)CCOC2)c1-c1nn[n-]n1 ZINC000737189422 598813930 /nfs/dbraw/zinc/81/39/30/598813930.db2.gz MINIFTROWZMHDJ-QGZVFWFLSA-N -1 1 374.470 2.017 20 0 FEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(C(F)(F)F)c1 ZINC000819764495 599317382 /nfs/dbraw/zinc/31/73/82/599317382.db2.gz HVBJWDPRYHWGTF-YVMONPNESA-N -1 1 363.303 2.408 20 0 FEADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1C(F)(F)F ZINC000819883719 599318256 /nfs/dbraw/zinc/31/82/56/599318256.db2.gz LEHKTEKPOACRCC-ZETCQYMHSA-N -1 1 351.292 2.108 20 0 FEADMM CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820981487 599337634 /nfs/dbraw/zinc/33/76/34/599337634.db2.gz RUFLWEATNFWCSR-JTQLQIEISA-N -1 1 355.851 2.331 20 0 FEADMM C[C@H]1SCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@@H]1C ZINC000820819800 599345122 /nfs/dbraw/zinc/34/51/22/599345122.db2.gz LCIJWGIEDLUDGX-RKDXNWHRSA-N -1 1 373.891 2.035 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1C2CCCC1CCC2 ZINC000823600049 599361511 /nfs/dbraw/zinc/36/15/11/599361511.db2.gz CEBCNKIEONGSLI-UHFFFAOYSA-N -1 1 351.407 2.102 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000820769297 599366347 /nfs/dbraw/zinc/36/63/47/599366347.db2.gz RZQIRESVUARYIK-RKDXNWHRSA-N -1 1 373.891 2.035 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820769297 599366350 /nfs/dbraw/zinc/36/63/50/599366350.db2.gz RZQIRESVUARYIK-RKDXNWHRSA-N -1 1 373.891 2.035 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)OCc2ccon2)c1-c1nnn[n-]1 ZINC000737188856 599368274 /nfs/dbraw/zinc/36/82/74/599368274.db2.gz HPRWCMZRHJJBHX-UHFFFAOYSA-N -1 1 358.383 2.206 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)OCc2ccon2)c1-c1nn[n-]n1 ZINC000737188856 599368277 /nfs/dbraw/zinc/36/82/77/599368277.db2.gz HPRWCMZRHJJBHX-UHFFFAOYSA-N -1 1 358.383 2.206 20 0 FEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(F)c1 ZINC000822694125 599402332 /nfs/dbraw/zinc/40/23/32/599402332.db2.gz WEOIJSYQFUFOBU-HNNXBMFYSA-N -1 1 353.361 2.212 20 0 FEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(F)c1 ZINC000822694125 599402333 /nfs/dbraw/zinc/40/23/33/599402333.db2.gz WEOIJSYQFUFOBU-HNNXBMFYSA-N -1 1 353.361 2.212 20 0 FEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC2(CCCC2)CC1 ZINC000738353880 599597688 /nfs/dbraw/zinc/59/76/88/599597688.db2.gz IALPRYIFIKOTPI-UHFFFAOYSA-N -1 1 365.434 2.351 20 0 FEADMM CC[C@H]1C[C@@H](C)CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820967044 599655817 /nfs/dbraw/zinc/65/58/17/599655817.db2.gz KYLFYLPLZLOBEX-MFKMUULPSA-N -1 1 358.446 2.164 20 0 FEADMM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820972361 599683763 /nfs/dbraw/zinc/68/37/63/599683763.db2.gz NTPAATRTNFGKII-GXSJLCMTSA-N -1 1 355.851 2.329 20 0 FEADMM CCCC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000564801069 599705002 /nfs/dbraw/zinc/70/50/02/599705002.db2.gz AOVLJUBJTCHJNQ-OAHLLOKOSA-N -1 1 374.890 2.290 20 0 FEADMM CC(C)(NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)[O-] ZINC000736339433 599924860 /nfs/dbraw/zinc/92/48/60/599924860.db2.gz JVZRBKXHQAINCK-UHFFFAOYSA-N -1 1 355.366 2.480 20 0 FEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCC(Cn3cccn3)CC2)cc1 ZINC000740024595 599971726 /nfs/dbraw/zinc/97/17/26/599971726.db2.gz GFIYXAZEWWDEPS-UHFFFAOYSA-N -1 1 371.441 2.001 20 0 FEADMM C[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736596655 600016777 /nfs/dbraw/zinc/01/67/77/600016777.db2.gz YUDXVQIGFRIWRW-NXVRBGIVSA-N -1 1 359.470 2.376 20 0 FEADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C(N)=O ZINC000066587217 600099154 /nfs/dbraw/zinc/09/91/54/600099154.db2.gz ATNLBRJOBASERY-UHFFFAOYSA-N -1 1 368.798 2.246 20 0 FEADMM C[C@@H]1CN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CCS1 ZINC000736812269 600103439 /nfs/dbraw/zinc/10/34/39/600103439.db2.gz VFVVYIOAUYQCQH-WBMJQRKESA-N -1 1 361.467 2.159 20 0 FEADMM CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000736484562 600132516 /nfs/dbraw/zinc/13/25/16/600132516.db2.gz GOZAMRNHCMGPIL-UKRRQHHQSA-N -1 1 362.426 2.375 20 0 FEADMM CCOC(=O)c1ccsc1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737155496 600147867 /nfs/dbraw/zinc/14/78/67/600147867.db2.gz XDYSUDHWWMDDLK-UHFFFAOYSA-N -1 1 354.428 2.240 20 0 FEADMM Cc1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)N(C)C)C(=O)[O-])cc1 ZINC000738552104 600173659 /nfs/dbraw/zinc/17/36/59/600173659.db2.gz MNYJUEZLTPHMPD-RBUKOAKNSA-N -1 1 354.450 2.452 20 0 FEADMM Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000322153910 600175934 /nfs/dbraw/zinc/17/59/34/600175934.db2.gz UFDOBKOCVCGXCE-UHFFFAOYSA-N -1 1 359.747 2.384 20 0 FEADMM CN1CCN(c2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)ccn2)CC1 ZINC000737528287 600246238 /nfs/dbraw/zinc/24/62/38/600246238.db2.gz CCQYLYLPMWXSQS-UHFFFAOYSA-N -1 1 365.393 2.249 20 0 FEADMM O=C([O-])[C@H]1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000262702176 600250191 /nfs/dbraw/zinc/25/01/91/600250191.db2.gz ZKLFFDFWFGSXNO-QMMMGPOBSA-N -1 1 352.188 2.262 20 0 FEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736825236 600298011 /nfs/dbraw/zinc/29/80/11/600298011.db2.gz MEBDINIPIREGKS-HUUCEWRRSA-N -1 1 355.438 2.425 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(F)c1 ZINC000737357821 600341299 /nfs/dbraw/zinc/34/12/99/600341299.db2.gz FDWAHLHQLRPLFF-JKSUJKDBSA-N -1 1 363.433 2.325 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736811590 600352061 /nfs/dbraw/zinc/35/20/61/600352061.db2.gz RSFBWKOVDVKMKS-ZIAGYGMSSA-N -1 1 364.446 2.075 20 0 FEADMM CC[C@H]1CN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCN1CCOC ZINC000736941452 600353257 /nfs/dbraw/zinc/35/32/57/600353257.db2.gz WWUXUJUSUKSYFV-INIZCTEOSA-N -1 1 364.446 2.029 20 0 FEADMM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820931909 607440765 /nfs/dbraw/zinc/44/07/65/607440765.db2.gz KEFVQANSGDLTCV-CYBMUJFWSA-N -1 1 357.439 2.342 20 0 FEADMM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820931909 607440767 /nfs/dbraw/zinc/44/07/67/607440767.db2.gz KEFVQANSGDLTCV-CYBMUJFWSA-N -1 1 357.439 2.342 20 0 FEADMM CN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1nc(CC(=O)[O-])cs1 ZINC000737314258 600494926 /nfs/dbraw/zinc/49/49/26/600494926.db2.gz PWAALMKTAXJGCI-CQSZACIVSA-N -1 1 374.466 2.040 20 0 FEADMM CCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)CC(C)C ZINC000737069394 600507545 /nfs/dbraw/zinc/50/75/45/600507545.db2.gz HZBZKVFEPVIDAI-UHFFFAOYSA-N -1 1 356.444 2.458 20 0 FEADMM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@H]1CCOC1 ZINC000737069669 600508316 /nfs/dbraw/zinc/50/83/16/600508316.db2.gz NISXYVGCBZTXFT-LLVKDONJSA-N -1 1 352.456 2.232 20 0 FEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1cccc(Br)c1 ZINC000079701044 600513052 /nfs/dbraw/zinc/51/30/52/600513052.db2.gz GOOVEGGPUWACSE-UHFFFAOYSA-N -1 1 357.185 2.343 20 0 FEADMM C[C@@H](NC(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000736641468 600515417 /nfs/dbraw/zinc/51/54/17/600515417.db2.gz RFGOPCJNJQCVAD-CJNGLKHVSA-N -1 1 368.861 2.473 20 0 FEADMM CCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)CC1CC1 ZINC000737069728 600613403 /nfs/dbraw/zinc/61/34/03/600613403.db2.gz PZIHEAOVWZIUJR-UHFFFAOYSA-N -1 1 354.428 2.212 20 0 FEADMM CS(=O)(=O)c1cccc([C@@H](NCC(=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000738140834 600680972 /nfs/dbraw/zinc/68/09/72/600680972.db2.gz OUDUKMUHLPJGCX-MRXNPFEDSA-N -1 1 355.362 2.132 20 0 FEADMM CCNC(=O)COc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829795421 600740820 /nfs/dbraw/zinc/74/08/20/600740820.db2.gz UCEFCPCFUCPCAJ-SFHVURJKSA-N -1 1 360.385 2.256 20 0 FEADMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CCN1C ZINC000828167149 600760261 /nfs/dbraw/zinc/76/02/61/600760261.db2.gz CCCIWRDRQCKQAF-ZWNOBZJWSA-N -1 1 360.863 2.141 20 0 FEADMM C[C@H]1CCN(C(=O)NCCSCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000382642388 600771029 /nfs/dbraw/zinc/77/10/29/600771029.db2.gz ACVGDBRKPKSMPC-HNNXBMFYSA-N -1 1 365.499 2.110 20 0 FEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000828420860 600792426 /nfs/dbraw/zinc/79/24/26/600792426.db2.gz DQHSVNBSMPVJCO-ZWNOBZJWSA-N -1 1 360.863 2.045 20 0 FEADMM CC[C@@H]1CN(CCn2cccn2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000829152732 600814048 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O=C([O-])C1CCN(C(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000833190258 601042574 /nfs/dbraw/zinc/04/25/74/601042574.db2.gz XRNHAGJQMJQXSX-LJQANCHMSA-N -1 1 374.481 2.072 20 0 FEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000630221095 601090435 /nfs/dbraw/zinc/09/04/35/601090435.db2.gz SVFHRPYNFITBHJ-GFCCVEGCSA-N -1 1 363.845 2.371 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 ZINC000827356167 601090496 /nfs/dbraw/zinc/09/04/96/601090496.db2.gz PZOJUYJAEFJVMX-GFUIURDCSA-N -1 1 365.499 2.461 20 0 FEADMM Cc1nn(-c2ccc(C(=O)NCc3cnc[nH]3)cc2)c(C)c1CCC(=O)[O-] ZINC000738896908 601093869 /nfs/dbraw/zinc/09/38/69/601093869.db2.gz VDIQMHJKPGADFZ-UHFFFAOYSA-N -1 1 367.409 2.159 20 0 FEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 ZINC000630225699 601097386 /nfs/dbraw/zinc/09/73/86/601097386.db2.gz WHLWGDWCLGEYPQ-AWEZNQCLSA-N -1 1 359.401 2.237 20 0 FEADMM Cc1noc2nc(C3CC3)cc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c12 ZINC000630224541 601098186 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C[C@@H](CS(=O)(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000828284732 601272750 /nfs/dbraw/zinc/27/27/50/601272750.db2.gz HLBGEDOZOZBNKQ-UONOGXRCSA-N -1 1 374.528 2.161 20 0 FEADMM C[C@H](CSCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820293182 607500435 /nfs/dbraw/zinc/50/04/35/607500435.db2.gz IISTXIPLOVHHRG-LLVKDONJSA-N -1 1 357.443 2.108 20 0 FEADMM C[C@H](CSCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820293182 607500438 /nfs/dbraw/zinc/50/04/38/607500438.db2.gz IISTXIPLOVHHRG-LLVKDONJSA-N -1 1 357.443 2.108 20 0 FEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC000831249088 601331386 /nfs/dbraw/zinc/33/13/86/601331386.db2.gz UZIWWQGTCKGXOB-UHFFFAOYSA-N -1 1 366.395 2.226 20 0 FEADMM O=C([O-])c1cc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)ccc1Cl ZINC000833300040 601478436 /nfs/dbraw/zinc/47/84/36/601478436.db2.gz ICYYQALRCCYJED-GFCCVEGCSA-N -1 1 367.833 2.224 20 0 FEADMM CCC1CCC(NCC(=O)NC(=O)NCc2ccccc2)(C(=O)[O-])CC1 ZINC000829101204 601497169 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FEADMM Cn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2[nH]c1=S ZINC000833038994 601878846 /nfs/dbraw/zinc/87/88/46/601878846.db2.gz BOEJZWBZWIWDJN-UHFFFAOYSA-N -1 1 373.365 2.312 20 0 FEADMM CN1CCN(c2ccccc2NC(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000820626528 601885075 /nfs/dbraw/zinc/88/50/75/601885075.db2.gz PBNROJISEZNHEI-UHFFFAOYSA-N -1 1 368.437 2.458 20 0 FEADMM CC(C)CNC(=O)c1cccc(CN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000826890887 601886064 /nfs/dbraw/zinc/88/60/64/601886064.db2.gz DEMVEIJDBFGQSJ-MRXNPFEDSA-N -1 1 350.484 2.465 20 0 FEADMM CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CC[C@@](C)(C(=O)[O-])C1)C2=O ZINC000828029373 601891710 /nfs/dbraw/zinc/89/17/10/601891710.db2.gz ZKBSKURIFQIUJF-HRJVKACCSA-N -1 1 365.474 2.267 20 0 FEADMM Cc1cc(C)c(CS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263181 607536541 /nfs/dbraw/zinc/53/65/41/607536541.db2.gz OSNDQQQYMCUMAX-UHFFFAOYSA-N -1 1 357.439 2.302 20 0 FEADMM Cc1cc(C)c(CS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263181 607536543 /nfs/dbraw/zinc/53/65/43/607536543.db2.gz OSNDQQQYMCUMAX-UHFFFAOYSA-N -1 1 357.439 2.302 20 0 FEADMM CN(C)C(=O)c1cccc(CSCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825851048 607534109 /nfs/dbraw/zinc/53/41/09/607534109.db2.gz SWEKEQDZZVFLNU-UHFFFAOYSA-N -1 1 354.439 2.397 20 0 FEADMM CN(C)C(=O)c1cccc(CSCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825851048 607534110 /nfs/dbraw/zinc/53/41/10/607534110.db2.gz SWEKEQDZZVFLNU-UHFFFAOYSA-N -1 1 354.439 2.397 20 0 FEADMM COc1ccc([C@@H](NC(=O)CN2CC[C@@H](CNC(=O)[O-])C2)C(C)C)cc1 ZINC000739892546 601947253 /nfs/dbraw/zinc/94/72/53/601947253.db2.gz HJJZHXXSPCGMIY-KSSFIOAISA-N -1 1 363.458 2.098 20 0 FEADMM C[C@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000738961219 601955245 /nfs/dbraw/zinc/95/52/45/601955245.db2.gz LDRIJBGLZNHCTQ-GJZGRUSLSA-N -1 1 359.470 2.332 20 0 FEADMM O=C([O-])NC[C@H]1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000740641648 601964030 /nfs/dbraw/zinc/96/40/30/601964030.db2.gz KAFYZLXIOJNJOS-GOSISDBHSA-N -1 1 359.470 2.057 20 0 FEADMM O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000740418636 602008043 /nfs/dbraw/zinc/00/80/43/602008043.db2.gz WMMIYQRAXARLLG-GJZGRUSLSA-N -1 1 364.446 2.106 20 0 FEADMM FC(F)(F)CNc1nnc(SCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000826367681 607539734 /nfs/dbraw/zinc/53/97/34/607539734.db2.gz KCGUUZFYPYMNEO-UHFFFAOYSA-N -1 1 374.377 2.380 20 0 FEADMM FC(F)(F)CNc1nnc(SCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000826367681 607539736 /nfs/dbraw/zinc/53/97/36/607539736.db2.gz KCGUUZFYPYMNEO-UHFFFAOYSA-N -1 1 374.377 2.380 20 0 FEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000739009470 602261280 /nfs/dbraw/zinc/26/12/80/602261280.db2.gz LYGANLJUZVUCOI-RWMBFGLXSA-N -1 1 365.396 2.298 20 0 FEADMM COc1ccccc1CN(C)C(=O)CN1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000739977456 602275148 /nfs/dbraw/zinc/27/51/48/602275148.db2.gz ZZCSBFIDLWGXEB-GDBMZVCRSA-N -1 1 363.458 2.164 20 0 FEADMM C[C@H](CNC(=O)C1CCC(NC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738915752 602383531 /nfs/dbraw/zinc/38/35/31/602383531.db2.gz PAYUOTUTGKEFKQ-MXWWQKGMSA-N -1 1 359.470 2.376 20 0 FEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828451952 602387483 /nfs/dbraw/zinc/38/74/83/602387483.db2.gz XTRBPNZGKBKWEF-TXEJJXNPSA-N -1 1 353.394 2.145 20 0 FEADMM CS(=O)(=O)CCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826222584 607569696 /nfs/dbraw/zinc/56/96/96/607569696.db2.gz CVMVRLJYYMTZOB-UHFFFAOYSA-N -1 1 363.468 2.127 20 0 FEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000824029662 607571638 /nfs/dbraw/zinc/57/16/38/607571638.db2.gz PEPXJVSETZNULH-UHFFFAOYSA-N -1 1 358.379 2.145 20 0 FEADMM C[C@@H](NC(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000738962025 602533023 /nfs/dbraw/zinc/53/30/23/602533023.db2.gz QEYMSGQMIKNLNL-OLZOCXBDSA-N -1 1 353.850 2.449 20 0 FEADMM CCCN(CC(=O)N[C@H]1CCOc2ccccc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354783 602545587 /nfs/dbraw/zinc/54/55/87/602545587.db2.gz SFRJAMSRGNQNRK-ZBFHGGJFSA-N -1 1 361.442 2.091 20 0 FEADMM CCC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825233441 607573392 /nfs/dbraw/zinc/57/33/92/607573392.db2.gz PPBVAKNGAFDCDJ-MRVPVSSYSA-N -1 1 363.365 2.352 20 0 FEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736653183 602575299 /nfs/dbraw/zinc/57/52/99/602575299.db2.gz UUHBBKBHKSWSIS-SNVBAGLBSA-N -1 1 367.365 2.410 20 0 FEADMM O=S(=O)(NC1CCCCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488313 607574435 /nfs/dbraw/zinc/57/44/35/607574435.db2.gz NGYXQNNASJMISC-UHFFFAOYSA-N -1 1 353.423 2.397 20 0 FEADMM O=S(=O)(NC1CCCCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488313 607574436 /nfs/dbraw/zinc/57/44/36/607574436.db2.gz NGYXQNNASJMISC-UHFFFAOYSA-N -1 1 353.423 2.397 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739651513 602610195 /nfs/dbraw/zinc/61/01/95/602610195.db2.gz QGUKOOCTEHAJCU-XJKSGUPXSA-N -1 1 366.437 2.070 20 0 FEADMM CN(CCNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C(=O)[O-] ZINC000739693629 602615628 /nfs/dbraw/zinc/61/56/28/602615628.db2.gz HWUZVWWFTQZUMN-OAHLLOKOSA-N -1 1 368.865 2.386 20 0 FEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000738924281 602619380 /nfs/dbraw/zinc/61/93/80/602619380.db2.gz DAVADRJDCGMDAF-ZDUSSCGKSA-N -1 1 366.437 2.088 20 0 FEADMM Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N2CCCC2)o1 ZINC000740118081 602626776 /nfs/dbraw/zinc/62/67/76/602626776.db2.gz OVSSEFFYLZINFI-TZMCWYRMSA-N -1 1 352.435 2.022 20 0 FEADMM O=C([O-])NC1(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCCCC1 ZINC000740541226 602667178 /nfs/dbraw/zinc/66/71/78/602667178.db2.gz HLJOFMYHKQOBPO-UHFFFAOYSA-N -1 1 361.377 2.198 20 0 FEADMM O=C([O-])NC1(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCCCC1 ZINC000740541226 602667179 /nfs/dbraw/zinc/66/71/79/602667179.db2.gz HLJOFMYHKQOBPO-UHFFFAOYSA-N -1 1 361.377 2.198 20 0 FEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000739000079 602697460 /nfs/dbraw/zinc/69/74/60/602697460.db2.gz ABXVKIVQNIUWMX-IUODEOHRSA-N -1 1 368.503 2.429 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824429858 607578056 /nfs/dbraw/zinc/57/80/56/607578056.db2.gz ZRFZMFCCVPXPHF-NSHDSACASA-N -1 1 361.402 2.088 20 0 FEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824429858 607578058 /nfs/dbraw/zinc/57/80/58/607578058.db2.gz ZRFZMFCCVPXPHF-NSHDSACASA-N -1 1 361.402 2.088 20 0 FEADMM O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487482 607582801 /nfs/dbraw/zinc/58/28/01/607582801.db2.gz PTXVDOITTYSDFT-INIZCTEOSA-N -1 1 373.413 2.435 20 0 FEADMM O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487482 607582804 /nfs/dbraw/zinc/58/28/04/607582804.db2.gz PTXVDOITTYSDFT-INIZCTEOSA-N -1 1 373.413 2.435 20 0 FEADMM CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824191801 607586227 /nfs/dbraw/zinc/58/62/27/607586227.db2.gz GBRKSBBSJGWEBU-JTQLQIEISA-N -1 1 353.423 2.203 20 0 FEADMM CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824191801 607586229 /nfs/dbraw/zinc/58/62/29/607586229.db2.gz GBRKSBBSJGWEBU-JTQLQIEISA-N -1 1 353.423 2.203 20 0 FEADMM CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824192524 607586586 /nfs/dbraw/zinc/58/65/86/607586586.db2.gz KHAGCEYPJYVMTP-JTQLQIEISA-N -1 1 353.423 2.203 20 0 FEADMM O=C([O-])NC[C@@H]1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740641492 602863943 /nfs/dbraw/zinc/86/39/43/602863943.db2.gz IYRDFEBAGFVKJC-SMDDNHRTSA-N -1 1 371.359 2.400 20 0 FEADMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824936551 607596814 /nfs/dbraw/zinc/59/68/14/607596814.db2.gz JGMKALKMIVZLIW-GHMZBOCLSA-N -1 1 353.423 2.110 20 0 FEADMM CN(C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000828200722 603009128 /nfs/dbraw/zinc/00/91/28/603009128.db2.gz YUCXLICMDQTYAG-GJZGRUSLSA-N -1 1 364.446 2.200 20 0 FEADMM NC(=O)[C@@H](NC1CCC(NC(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000740323218 603088475 /nfs/dbraw/zinc/08/84/75/603088475.db2.gz GWKKSLZBRSDBNS-BPCQOVAHSA-N -1 1 370.247 2.144 20 0 FEADMM O=S(=O)(NC1CC(c2ccccc2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488563 607607445 /nfs/dbraw/zinc/60/74/45/607607445.db2.gz SXTUTNQPIFCVCW-UHFFFAOYSA-N -1 1 373.413 2.230 20 0 FEADMM O=S(=O)(NC1CC(c2ccccc2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488563 607607447 /nfs/dbraw/zinc/60/74/47/607607447.db2.gz SXTUTNQPIFCVCW-UHFFFAOYSA-N -1 1 373.413 2.230 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493559 607607452 /nfs/dbraw/zinc/60/74/52/607607452.db2.gz QRPYJJGIVMAALU-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM O=S(=O)(Oc1cccc(F)c1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493559 607607455 /nfs/dbraw/zinc/60/74/55/607607455.db2.gz QRPYJJGIVMAALU-UHFFFAOYSA-N -1 1 356.285 2.052 20 0 FEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000739206406 603132409 /nfs/dbraw/zinc/13/24/09/603132409.db2.gz YLJAXGIKLBUTNZ-YDHLFZDLSA-N -1 1 365.430 2.036 20 0 FEADMM C[C@H](C(=O)Nc1ccccc1Br)N(C)CCCNC(=O)[O-] ZINC000738637707 603251107 /nfs/dbraw/zinc/25/11/07/603251107.db2.gz KGSDEXFODIQBDR-SNVBAGLBSA-N -1 1 358.236 2.366 20 0 FEADMM O=C([O-])N[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000740528777 603291379 /nfs/dbraw/zinc/29/13/79/603291379.db2.gz BBDAIDVMPWYBGD-HUUCEWRRSA-N -1 1 351.834 2.345 20 0 FEADMM CN(C[C@H]1CCN(C(=O)[O-])C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000739660893 603343958 /nfs/dbraw/zinc/34/39/58/603343958.db2.gz XDYWNZJOHIQTKS-DOMZBBRYSA-N -1 1 351.834 2.377 20 0 FEADMM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723597 603389557 /nfs/dbraw/zinc/38/95/57/603389557.db2.gz LQUWJRHMGFROFZ-FZMZJTMJSA-N -1 1 366.381 2.450 20 0 FEADMM Cc1ccc2nc(CNC(=O)N3CCC([C@H](C)NC(=O)[O-])CC3)[nH]c2c1 ZINC000830434058 603467991 /nfs/dbraw/zinc/46/79/91/603467991.db2.gz ZKNSVEGLQCAKLQ-LBPRGKRZSA-N -1 1 359.430 2.449 20 0 FEADMM CN(CCCNC(=O)[O-])[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000828301672 603563532 /nfs/dbraw/zinc/56/35/32/603563532.db2.gz DJXQEPAXJZSMIY-CQSZACIVSA-N -1 1 371.384 2.373 20 0 FEADMM COC(=O)c1ccc(OCCN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000828789391 603567142 /nfs/dbraw/zinc/56/71/42/603567142.db2.gz WESXMYRPYNVRQB-SMDDNHRTSA-N -1 1 370.833 2.483 20 0 FEADMM O=C([O-])Nc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000832829576 603585213 /nfs/dbraw/zinc/58/52/13/603585213.db2.gz WBYMLCUJTDFJGX-GFCCVEGCSA-N -1 1 367.833 2.224 20 0 FEADMM O=C([O-])NCC1(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCCC1 ZINC000832442804 603661410 /nfs/dbraw/zinc/66/14/10/603661410.db2.gz ACCUBJQENDYPFJ-UHFFFAOYSA-N -1 1 361.377 2.055 20 0 FEADMM O=C([O-])NCC1(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCCC1 ZINC000832442804 603661412 /nfs/dbraw/zinc/66/14/12/603661412.db2.gz ACCUBJQENDYPFJ-UHFFFAOYSA-N -1 1 361.377 2.055 20 0 FEADMM CC(C)[C@H](CCN(C)C(=O)NCc1n[nH]c(-c2ccccc2)n1)NC(=O)[O-] ZINC000824086582 603662249 /nfs/dbraw/zinc/66/22/49/603662249.db2.gz UZFXTUZMUKXFKU-AWEZNQCLSA-N -1 1 374.445 2.295 20 0 FEADMM CC(C)[C@H](CCN(C)C(=O)NCc1nc(-c2ccccc2)n[nH]1)NC(=O)[O-] ZINC000824086582 603662252 /nfs/dbraw/zinc/66/22/52/603662252.db2.gz UZFXTUZMUKXFKU-AWEZNQCLSA-N -1 1 374.445 2.295 20 0 FEADMM Cc1oc(NC(=O)CN2CCc3c2cccc3C)c(-c2nn[n-]n2)c1C ZINC000826305223 607645195 /nfs/dbraw/zinc/64/51/95/607645195.db2.gz OPXJNJJFZGFRBI-UHFFFAOYSA-N -1 1 352.398 2.386 20 0 FEADMM COc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000826211636 607645643 /nfs/dbraw/zinc/64/56/43/607645643.db2.gz NKFBMUOHACTBID-UHFFFAOYSA-N -1 1 360.395 2.260 20 0 FEADMM Cc1nnc(SCCC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])[nH]1 ZINC000830894384 603710132 /nfs/dbraw/zinc/71/01/32/603710132.db2.gz UADBLNNFZWMUCS-OLZOCXBDSA-N -1 1 367.475 2.119 20 0 FEADMM O=S(=O)(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488726 607648532 /nfs/dbraw/zinc/64/85/32/607648532.db2.gz XQAMDGGQOAZIMR-GXTWGEPZSA-N -1 1 365.434 2.253 20 0 FEADMM CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CCC(NC(=O)[O-])CC1 ZINC000828417197 603793689 /nfs/dbraw/zinc/79/36/89/603793689.db2.gz XTGHYAXEVNMPPL-UHFFFAOYSA-N -1 1 374.397 2.476 20 0 FEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000824991692 607654451 /nfs/dbraw/zinc/65/44/51/607654451.db2.gz FGLXAZAUHSJQLN-BDJLRTHQSA-N -1 1 373.413 2.388 20 0 FEADMM CCC(CC)(CN[C@H](C(N)=O)c1ccc(Br)cc1)NC(=O)[O-] ZINC000826560903 603883008 /nfs/dbraw/zinc/88/30/08/603883008.db2.gz BSDBJGOLOVDSGZ-LBPRGKRZSA-N -1 1 372.263 2.392 20 0 FEADMM O=C([O-])NC[C@@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000832408954 603936256 /nfs/dbraw/zinc/93/62/56/603936256.db2.gz VZTJTHJSFVXJCX-CYBMUJFWSA-N -1 1 356.357 2.370 20 0 FEADMM O=C([O-])NC[C@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000832408955 603936475 /nfs/dbraw/zinc/93/64/75/603936475.db2.gz VZTJTHJSFVXJCX-ZDUSSCGKSA-N -1 1 356.357 2.370 20 0 FEADMM CN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)[O-])CC1 ZINC000827793622 604022148 /nfs/dbraw/zinc/02/21/48/604022148.db2.gz DBKHGAMPQYAUEZ-HNNXBMFYSA-N -1 1 364.446 2.200 20 0 FEADMM C[C@@H](N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1(C)CC1 ZINC000824464952 607667091 /nfs/dbraw/zinc/66/70/91/607667091.db2.gz LMZSKXLOMJLIQB-SECBINFHSA-N -1 1 355.851 2.329 20 0 FEADMM C[C@@H](N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1(C)CC1 ZINC000824464952 607667093 /nfs/dbraw/zinc/66/70/93/607667093.db2.gz LMZSKXLOMJLIQB-SECBINFHSA-N -1 1 355.851 2.329 20 0 FEADMM CN(C)[C@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000827996501 604028516 /nfs/dbraw/zinc/02/85/16/604028516.db2.gz YEOQTOCGWYWADS-MRXNPFEDSA-N -1 1 366.437 2.212 20 0 FEADMM CN(C)[C@H](CNC(=O)N1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000827993472 604046577 /nfs/dbraw/zinc/04/65/77/604046577.db2.gz CMRWWNJMRSBPRI-OAHLLOKOSA-N -1 1 368.865 2.384 20 0 FEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000825236142 604093155 /nfs/dbraw/zinc/09/31/55/604093155.db2.gz LMZNYIOKUZMNEO-OLZOCXBDSA-N -1 1 358.402 2.167 20 0 FEADMM Cc1ccc2nc(CNC(=O)N[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)[nH]c2c1 ZINC000830432419 604096606 /nfs/dbraw/zinc/09/66/06/604096606.db2.gz GNDZMOMSKIHMIB-STQMWFEESA-N -1 1 359.430 2.449 20 0 FEADMM CC(C)CN1CCO[C@@H](COC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000824263312 604157691 /nfs/dbraw/zinc/15/76/91/604157691.db2.gz QQVCWDHGMRLTHK-NPYXIHBLSA-N -1 1 368.474 2.198 20 0 FEADMM O=S(=O)(Oc1cccnc1Cl)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826494092 607677961 /nfs/dbraw/zinc/67/79/61/607677961.db2.gz OBQAACOKMWMCGA-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM O=S(=O)(Oc1cccnc1Cl)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826494092 607677962 /nfs/dbraw/zinc/67/79/62/607677962.db2.gz OBQAACOKMWMCGA-UHFFFAOYSA-N -1 1 372.193 2.336 20 0 FEADMM C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252997 604251616 /nfs/dbraw/zinc/25/16/16/604251616.db2.gz HOOVOTWAXJNCAD-GUTXKFCHSA-N -1 1 351.422 2.199 20 0 FEADMM COC1CCN(CCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000828880094 604252749 /nfs/dbraw/zinc/25/27/49/604252749.db2.gz GJZBBQVZILLUGH-UHFFFAOYSA-N -1 1 355.822 2.271 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NC3(CC(=O)[O-])CCC3)n2)cc1 ZINC000832907655 604305626 /nfs/dbraw/zinc/30/56/26/604305626.db2.gz FCTUSADZROIAPX-UHFFFAOYSA-N -1 1 360.439 2.386 20 0 FEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)n2)cc1 ZINC000832907755 604307675 /nfs/dbraw/zinc/30/76/75/604307675.db2.gz LDJZLCNWKQPRMD-WCQYABFASA-N -1 1 360.439 2.051 20 0 FEADMM CS(=O)(=O)CCCCN(Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000829668985 604347314 /nfs/dbraw/zinc/34/73/14/604347314.db2.gz JHNSMEUFRMPOPI-KRWDZBQOSA-N -1 1 368.499 2.456 20 0 FEADMM CCOC(=O)N[C@H]1CCCN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)C1 ZINC000829861241 604458089 /nfs/dbraw/zinc/45/80/89/604458089.db2.gz PBQUBECURFXMQW-BBRMVZONSA-N -1 1 366.414 2.040 20 0 FEADMM CS(=O)(=O)Nc1cccc2c1CCN(Cc1ccccc1C(=O)[O-])C2 ZINC000833737680 604592693 /nfs/dbraw/zinc/59/26/93/604592693.db2.gz JOGKACFAEQYGCC-UHFFFAOYSA-N -1 1 360.435 2.315 20 0 FEADMM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc(C)c1OCC(=O)[O-] ZINC000832864783 604644473 /nfs/dbraw/zinc/64/44/73/604644473.db2.gz HQNACMIJUSQPQR-UHFFFAOYSA-N -1 1 369.381 2.143 20 0 FEADMM CCc1nnc([C@H]2CN(Cc3cc(C)c(OCC(=O)[O-])c(C)c3)CCO2)[nH]1 ZINC000830304611 604687988 /nfs/dbraw/zinc/68/79/88/604687988.db2.gz SDBNRIDPPGPQCW-OAHLLOKOSA-N -1 1 374.441 2.021 20 0 FEADMM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833691226 604688266 /nfs/dbraw/zinc/68/82/66/604688266.db2.gz NYDDDUFJLIGRDE-UHFFFAOYSA-N -1 1 355.803 2.300 20 0 FEADMM CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833738206 604695714 /nfs/dbraw/zinc/69/57/14/604695714.db2.gz SQCYOHBHJKDKET-UHFFFAOYSA-N -1 1 367.354 2.252 20 0 FEADMM CN1CC[C@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833697045 604706784 /nfs/dbraw/zinc/70/67/84/604706784.db2.gz CALKRSURQYOIEB-ZWKOTPCHSA-N -1 1 374.462 2.250 20 0 FEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CC2(C)C)c1-c1nn[n-]n1 ZINC000826332950 607715273 /nfs/dbraw/zinc/71/52/73/607715273.db2.gz OAFIAOONCKXWLW-ZDUSSCGKSA-N -1 1 352.398 2.450 20 0 FEADMM COc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(OC)c1C(=O)[O-] ZINC000833734421 604859261 /nfs/dbraw/zinc/85/92/61/604859261.db2.gz DHMKPCUTDJFKCG-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])s2)o1 ZINC000833746353 604902179 /nfs/dbraw/zinc/90/21/79/604902179.db2.gz ANIUICGHPYUCOM-NSHDSACASA-N -1 1 360.395 2.169 20 0 FEADMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833615609 605018222 /nfs/dbraw/zinc/01/82/22/605018222.db2.gz PRJMDNJQQZOISZ-LLVKDONJSA-N -1 1 360.863 2.191 20 0 FEADMM CC(C)(O)[C@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833463506 605048614 /nfs/dbraw/zinc/04/86/14/605048614.db2.gz IISPCNHGTHTXOJ-GFCCVEGCSA-N -1 1 352.456 2.109 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc(-c2ccccc2)no1 ZINC000833624281 605053435 /nfs/dbraw/zinc/05/34/35/605053435.db2.gz JVJOFSXGDDKRIM-AWEZNQCLSA-N -1 1 372.425 2.032 20 0 FEADMM C[C@H](Oc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1)C(=O)[O-] ZINC000833537818 605088856 /nfs/dbraw/zinc/08/88/56/605088856.db2.gz AXMMCICKGYBWQC-HNAYVOBHSA-N -1 1 368.433 2.429 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(Br)c1 ZINC000833626589 605106464 /nfs/dbraw/zinc/10/64/64/605106464.db2.gz PUXBUGBTLLWMPT-SNVBAGLBSA-N -1 1 373.222 2.209 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000833622378 605109877 /nfs/dbraw/zinc/10/98/77/605109877.db2.gz PECDEFARANQYFJ-UPJWGTAASA-N -1 1 350.381 2.363 20 0 FEADMM Cc1ccc(Br)cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833747281 605113199 /nfs/dbraw/zinc/11/31/99/605113199.db2.gz ICXUOCNYDSFRAT-GFCCVEGCSA-N -1 1 369.259 2.379 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1nc2ccccc2s1 ZINC000833619959 605157198 /nfs/dbraw/zinc/15/71/98/605157198.db2.gz JKXREXYYZLIEHL-FMFIFOJESA-N -1 1 359.451 2.317 20 0 FEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000833626630 605166316 /nfs/dbraw/zinc/16/63/16/605166316.db2.gz QLPXUSZHOZBWGW-OAHLLOKOSA-N -1 1 369.421 2.495 20 0 FEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000833628663 605191664 /nfs/dbraw/zinc/19/16/64/605191664.db2.gz MZZKPOAUGQNQKA-NSHDSACASA-N -1 1 374.268 2.413 20 0 FEADMM CN(CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])[C@H]1CCSC1 ZINC000833692031 605215590 /nfs/dbraw/zinc/21/55/90/605215590.db2.gz SGSHHARVCONACH-PMPSAXMXSA-N -1 1 354.516 2.306 20 0 FEADMM C[C@]1(NS(=O)(=O)c2c(F)cc(F)cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833567940 605244197 /nfs/dbraw/zinc/24/41/97/605244197.db2.gz ATIUATUEECKBEU-OTYXRUKQSA-N -1 1 351.346 2.416 20 0 FEADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000833681106 605268066 /nfs/dbraw/zinc/26/80/66/605268066.db2.gz SMHVCMFBLWUWGU-SNVBAGLBSA-N -1 1 352.412 2.038 20 0 FEADMM C[C@@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CCN1CCC(=O)[O-] ZINC000833621526 605279119 /nfs/dbraw/zinc/27/91/19/605279119.db2.gz KEGVDEGGXIFQDK-SNVBAGLBSA-N -1 1 362.323 2.466 20 0 FEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833488682 605282689 /nfs/dbraw/zinc/28/26/89/605282689.db2.gz TXQSYIMXPCDYHK-CYBMUJFWSA-N -1 1 368.409 2.394 20 0 FEADMM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823715810 605336180 /nfs/dbraw/zinc/33/61/80/605336180.db2.gz VFJIDOAEXPLJFW-IAQYHMDHSA-N -1 1 368.397 2.394 20 0 FEADMM CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC000833677624 605359496 /nfs/dbraw/zinc/35/94/96/605359496.db2.gz WYNFPRZEGBMKAQ-VFZGTOFNSA-N -1 1 352.797 2.363 20 0 FEADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000833622231 605375594 /nfs/dbraw/zinc/37/55/94/605375594.db2.gz KTKNBHIJDMQBLP-DJSGYFEHSA-N -1 1 356.825 2.257 20 0 FEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC([C@H]2CCOC2)CC1 ZINC000833404110 605401432 /nfs/dbraw/zinc/40/14/32/605401432.db2.gz GMDASBIHKJIBPG-KDOFPFPSSA-N -1 1 360.454 2.138 20 0 FEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)n1 ZINC000832729965 605440036 /nfs/dbraw/zinc/44/00/36/605440036.db2.gz MFSMSWMXEYHPIH-SECBINFHSA-N -1 1 370.196 2.372 20 0 FEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)n[nH]1 ZINC000832729965 605440038 /nfs/dbraw/zinc/44/00/38/605440038.db2.gz MFSMSWMXEYHPIH-SECBINFHSA-N -1 1 370.196 2.372 20 0 FEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@@H]21 ZINC000834185058 605459224 /nfs/dbraw/zinc/45/92/24/605459224.db2.gz HSSRVVDQRDUXQA-WCFLWFBJSA-N -1 1 352.822 2.042 20 0 FEADMM C[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C)N1CCc2ccccc2C1 ZINC000824930382 605502036 /nfs/dbraw/zinc/50/20/36/605502036.db2.gz MKYWKDQRIGABLA-HDMKZQKVSA-N -1 1 374.485 2.263 20 0 FEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000834026860 605515304 /nfs/dbraw/zinc/51/53/04/605515304.db2.gz NPZNUMMHIPZFLR-PBHICJAKSA-N -1 1 363.433 2.296 20 0 FEADMM CC(C)(CNC(=O)[O-])NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000823978622 605569644 /nfs/dbraw/zinc/56/96/44/605569644.db2.gz ISVKFLLGOBJTSY-UHFFFAOYSA-N -1 1 366.437 2.136 20 0 FEADMM NC(=O)c1n[nH]c2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3NC(=O)[O-])cc21 ZINC000833985950 605618246 /nfs/dbraw/zinc/61/82/46/605618246.db2.gz CCQJWGVUHBZGOM-AAEUAGOBSA-N -1 1 373.413 2.207 20 0 FEADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000831282331 605773327 /nfs/dbraw/zinc/77/33/27/605773327.db2.gz CMSLLJOPEJIYOM-KRWDZBQOSA-N -1 1 354.410 2.393 20 0 FEADMM COc1cccc(-c2cc(C(=O)N(C3CC3)[C@@H]3CCN(C(=O)[O-])C3)n[nH]2)c1 ZINC000829530680 605790978 /nfs/dbraw/zinc/79/09/78/605790978.db2.gz CJJMTTLJSMSZKR-CQSZACIVSA-N -1 1 370.409 2.442 20 0 FEADMM Cc1cc(C[C@H](C)NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)n[nH]1 ZINC000830031513 605806676 /nfs/dbraw/zinc/80/66/76/605806676.db2.gz WBRNSVLSTNXVQN-XPTSAGLGSA-N -1 1 350.806 2.428 20 0 FEADMM Cc1ccc(Br)cc1NC(=O)CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000830170571 605846317 /nfs/dbraw/zinc/84/63/17/605846317.db2.gz JHHRIGDNXILTBO-LLVKDONJSA-N -1 1 356.220 2.038 20 0 FEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000833831037 605890741 /nfs/dbraw/zinc/89/07/41/605890741.db2.gz MIAGWZMTEHRIEO-WDEREUQCSA-N -1 1 359.879 2.338 20 0 FEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833831190 605899168 /nfs/dbraw/zinc/89/91/68/605899168.db2.gz MLFRTWMJKKNGJH-FRRDWIJNSA-N -1 1 369.412 2.462 20 0 FEADMM O=C([O-])N[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000834145313 605932996 /nfs/dbraw/zinc/93/29/96/605932996.db2.gz NZDSSWOKESVYSW-CABCVRRESA-N -1 1 364.446 2.152 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C(=O)[O-])c1 ZINC000833510613 605936474 /nfs/dbraw/zinc/93/64/74/605936474.db2.gz MPCJPRJXTDPDMZ-TZMCWYRMSA-N -1 1 373.453 2.188 20 0 FEADMM CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C(=O)[O-])c1 ZINC000833510613 605936479 /nfs/dbraw/zinc/93/64/79/605936479.db2.gz MPCJPRJXTDPDMZ-TZMCWYRMSA-N -1 1 373.453 2.188 20 0 FEADMM O=C([O-])NC1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCCCC1 ZINC000834150801 606092284 /nfs/dbraw/zinc/09/22/84/606092284.db2.gz BMOQIAAUDPWJSC-CYBMUJFWSA-N -1 1 361.446 2.359 20 0 FEADMM O=C([O-])NCc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000834246064 606094566 /nfs/dbraw/zinc/09/45/66/606094566.db2.gz HFUQWNWZOAHGBH-OAHLLOKOSA-N -1 1 369.425 2.470 20 0 FEADMM Cc1ccc(CCC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000822234649 606131420 /nfs/dbraw/zinc/13/14/20/606131420.db2.gz CEZGVMALCROEHD-UHFFFAOYSA-N -1 1 373.369 2.092 20 0 FEADMM CCN(Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821222765 606157098 /nfs/dbraw/zinc/15/70/98/606157098.db2.gz YWTVRTNNDPBATL-UHFFFAOYSA-N -1 1 360.809 2.308 20 0 FEADMM CCN(Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821222765 606157100 /nfs/dbraw/zinc/15/71/00/606157100.db2.gz YWTVRTNNDPBATL-UHFFFAOYSA-N -1 1 360.809 2.308 20 0 FEADMM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822234703 606165973 /nfs/dbraw/zinc/16/59/73/606165973.db2.gz DXUNGIWSARXCDY-CQSZACIVSA-N -1 1 366.429 2.148 20 0 FEADMM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822234703 606165974 /nfs/dbraw/zinc/16/59/74/606165974.db2.gz DXUNGIWSARXCDY-CQSZACIVSA-N -1 1 366.429 2.148 20 0 FEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccccc2)C2CCC2)n1 ZINC000822609350 606167010 /nfs/dbraw/zinc/16/70/10/606167010.db2.gz MQPDGFUUIJMOEN-AWEZNQCLSA-N -1 1 352.402 2.263 20 0 FEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccccc2)C2CCC2)n1 ZINC000822609350 606167012 /nfs/dbraw/zinc/16/70/12/606167012.db2.gz MQPDGFUUIJMOEN-AWEZNQCLSA-N -1 1 352.402 2.263 20 0 FEADMM Cc1cccc(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822288835 606168910 /nfs/dbraw/zinc/16/89/10/606168910.db2.gz KRDBVQSBIIDUAA-UHFFFAOYSA-N -1 1 354.418 2.008 20 0 FEADMM Cc1cccc(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822288835 606168911 /nfs/dbraw/zinc/16/89/11/606168911.db2.gz KRDBVQSBIIDUAA-UHFFFAOYSA-N -1 1 354.418 2.008 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000823294572 606195961 /nfs/dbraw/zinc/19/59/61/606195961.db2.gz HSIONIOTRNMNKK-UHFFFAOYSA-N -1 1 373.756 2.249 20 0 FEADMM Cc1nsc(N(C)C(=O)C=Cc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000822530512 606236898 /nfs/dbraw/zinc/23/68/98/606236898.db2.gz FBAFWQRXUIOIDC-GQCTYLIASA-N -1 1 370.394 2.037 20 0 FEADMM Cc1nsc(N(C)C(=O)C=Cc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000822530512 606236900 /nfs/dbraw/zinc/23/69/00/606236900.db2.gz FBAFWQRXUIOIDC-GQCTYLIASA-N -1 1 370.394 2.037 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@@H](C)Oc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000822328402 606238361 /nfs/dbraw/zinc/23/83/61/606238361.db2.gz PANYHCVQOBPMFI-LLVKDONJSA-N -1 1 358.427 2.370 20 0 FEADMM Cc1nsc(N(C)C(=O)[C@@H](C)Oc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000822328402 606238362 /nfs/dbraw/zinc/23/83/62/606238362.db2.gz PANYHCVQOBPMFI-LLVKDONJSA-N -1 1 358.427 2.370 20 0 FEADMM Cc1nsc(N(C)C(=O)CCCOc2ccccc2)c1-c1nnn[n-]1 ZINC000822530706 606239132 /nfs/dbraw/zinc/23/91/32/606239132.db2.gz NJOJQBOSVXFWIG-UHFFFAOYSA-N -1 1 358.427 2.454 20 0 FEADMM Cc1nsc(N(C)C(=O)CCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000822530706 606239135 /nfs/dbraw/zinc/23/91/35/606239135.db2.gz NJOJQBOSVXFWIG-UHFFFAOYSA-N -1 1 358.427 2.454 20 0 FEADMM CC1=NN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)CC1 ZINC000820643018 606293842 /nfs/dbraw/zinc/29/38/42/606293842.db2.gz OSUKIKLQAQCVLV-UHFFFAOYSA-N -1 1 363.381 2.411 20 0 FEADMM Cc1cc(C)n2nc(Sc3ccc(Cl)c(-c4nnn[n-]4)n3)nc2n1 ZINC000822198893 606446583 /nfs/dbraw/zinc/44/65/83/606446583.db2.gz NFCOJUAEDSHMKR-UHFFFAOYSA-N -1 1 359.806 2.121 20 0 FEADMM Cc1cc(C)n2nc(Sc3ccc(Cl)c(-c4nn[n-]n4)n3)nc2n1 ZINC000822198893 606446585 /nfs/dbraw/zinc/44/65/85/606446585.db2.gz NFCOJUAEDSHMKR-UHFFFAOYSA-N -1 1 359.806 2.121 20 0 FEADMM NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822889745 606497662 /nfs/dbraw/zinc/49/76/62/606497662.db2.gz DICYZESQSUVKKS-UHFFFAOYSA-N -1 1 354.351 2.026 20 0 FEADMM NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822889745 606497664 /nfs/dbraw/zinc/49/76/64/606497664.db2.gz DICYZESQSUVKKS-UHFFFAOYSA-N -1 1 354.351 2.026 20 0 FEADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1NC(C)=O ZINC000821720303 606511632 /nfs/dbraw/zinc/51/16/32/606511632.db2.gz QSBAMCYBSYDSEI-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1NC(C)=O ZINC000821720303 606511633 /nfs/dbraw/zinc/51/16/33/606511633.db2.gz QSBAMCYBSYDSEI-UHFFFAOYSA-N -1 1 358.383 2.148 20 0 FEADMM Cc1cc(OCCCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1Cl ZINC000822210775 606530974 /nfs/dbraw/zinc/53/09/74/606530974.db2.gz QQDFHFHPRHSGEF-UHFFFAOYSA-N -1 1 361.793 2.349 20 0 FEADMM Cc1cc(OCCCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1Cl ZINC000822210775 606530975 /nfs/dbraw/zinc/53/09/75/606530975.db2.gz QQDFHFHPRHSGEF-UHFFFAOYSA-N -1 1 361.793 2.349 20 0 FEADMM COc1ccc2cc([C@H](C)C(=O)Nc3n[nH]cc3-c3nnn[n-]3)ccc2c1 ZINC000821854796 606532239 /nfs/dbraw/zinc/53/22/39/606532239.db2.gz VVGPZQQZQDOTJX-JTQLQIEISA-N -1 1 363.381 2.494 20 0 FEADMM COc1ccc2cc([C@H](C)C(=O)Nc3n[nH]cc3-c3nn[n-]n3)ccc2c1 ZINC000821854796 606532241 /nfs/dbraw/zinc/53/22/41/606532241.db2.gz VVGPZQQZQDOTJX-JTQLQIEISA-N -1 1 363.381 2.494 20 0 FEADMM CCn1c(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccccc21 ZINC000821564163 606538074 /nfs/dbraw/zinc/53/80/74/606538074.db2.gz VQWQNAUXXJBMLJ-UHFFFAOYSA-N -1 1 367.438 2.270 20 0 FEADMM CCn1c(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc21 ZINC000821564163 606538076 /nfs/dbraw/zinc/53/80/76/606538076.db2.gz VQWQNAUXXJBMLJ-UHFFFAOYSA-N -1 1 367.438 2.270 20 0 FEADMM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC000823530223 606551416 /nfs/dbraw/zinc/55/14/16/606551416.db2.gz FJCMOHKNADIBEV-UHFFFAOYSA-N -1 1 354.395 2.455 20 0 FEADMM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC000823530223 606551418 /nfs/dbraw/zinc/55/14/18/606551418.db2.gz FJCMOHKNADIBEV-UHFFFAOYSA-N -1 1 354.395 2.455 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCCn2cccc2)c1-c1nn[n-]n1 ZINC000821989200 606577598 /nfs/dbraw/zinc/57/75/98/606577598.db2.gz ICYKBIPIWPPOCG-UHFFFAOYSA-N -1 1 369.454 2.093 20 0 FEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)CCO1 ZINC000820774302 606598578 /nfs/dbraw/zinc/59/85/78/606598578.db2.gz AHELROHYCNPESZ-NSHDSACASA-N -1 1 370.438 2.406 20 0 FEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)CCO1 ZINC000820774302 606598579 /nfs/dbraw/zinc/59/85/79/606598579.db2.gz AHELROHYCNPESZ-NSHDSACASA-N -1 1 370.438 2.406 20 0 FEADMM CO[C@H](C)c1nc(C)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000821675777 606647313 /nfs/dbraw/zinc/64/73/13/606647313.db2.gz SYTVMDUXCYFAKD-SECBINFHSA-N -1 1 360.399 2.091 20 0 FEADMM CO[C@H](C)c1nc(C)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000821675777 606647314 /nfs/dbraw/zinc/64/73/14/606647314.db2.gz SYTVMDUXCYFAKD-SECBINFHSA-N -1 1 360.399 2.091 20 0 FEADMM COCCCOc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821688330 606650146 /nfs/dbraw/zinc/65/01/46/606650146.db2.gz HHYRSQJUAALVBD-UHFFFAOYSA-N -1 1 369.381 2.034 20 0 FEADMM COCCCOc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821688330 606650147 /nfs/dbraw/zinc/65/01/47/606650147.db2.gz HHYRSQJUAALVBD-UHFFFAOYSA-N -1 1 369.381 2.034 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823119003 606653925 /nfs/dbraw/zinc/65/39/25/606653925.db2.gz ZUKONVAXGGBGJJ-UHFFFAOYSA-N -1 1 368.378 2.264 20 0 FEADMM O=C(Cc1coc(-c2cccs2)n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823119003 606653926 /nfs/dbraw/zinc/65/39/26/606653926.db2.gz ZUKONVAXGGBGJJ-UHFFFAOYSA-N -1 1 368.378 2.264 20 0 FEADMM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821170000 606688964 /nfs/dbraw/zinc/68/89/64/606688964.db2.gz KYEFLYPXKBUTLN-ZDUSSCGKSA-N -1 1 357.439 2.432 20 0 FEADMM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821170000 606688965 /nfs/dbraw/zinc/68/89/65/606688965.db2.gz KYEFLYPXKBUTLN-ZDUSSCGKSA-N -1 1 357.439 2.432 20 0 FEADMM CCc1nn(Cc2nc(C(C)(C)C)cs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518279 606706156 /nfs/dbraw/zinc/70/61/56/606706156.db2.gz SOQIMHRICHCSPX-UHFFFAOYSA-N -1 1 373.486 2.351 20 0 FEADMM Clc1cccnc1OCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822589948 606722858 /nfs/dbraw/zinc/72/28/58/606722858.db2.gz FVLAOGDLVDSAKR-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM Clc1cccnc1OCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822589948 606722860 /nfs/dbraw/zinc/72/28/60/606722860.db2.gz FVLAOGDLVDSAKR-UHFFFAOYSA-N -1 1 352.185 2.454 20 0 FEADMM CC(C)CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000820062724 606741101 /nfs/dbraw/zinc/74/11/01/606741101.db2.gz NVTUXUIVYAKQBW-UHFFFAOYSA-N -1 1 364.475 2.147 20 0 FEADMM CC(C)CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000820062724 606741102 /nfs/dbraw/zinc/74/11/02/606741102.db2.gz NVTUXUIVYAKQBW-UHFFFAOYSA-N -1 1 364.475 2.147 20 0 FEADMM CC[C@H](C)C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820859442 606750706 /nfs/dbraw/zinc/75/07/06/606750706.db2.gz DVPIHVXKWLNQCL-JTQLQIEISA-N -1 1 357.370 2.331 20 0 FEADMM CC[C@H](C)C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820859442 606750709 /nfs/dbraw/zinc/75/07/09/606750709.db2.gz DVPIHVXKWLNQCL-JTQLQIEISA-N -1 1 357.370 2.331 20 0 FEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820735891 606803334 /nfs/dbraw/zinc/80/33/34/606803334.db2.gz VMMHIFWEXOIKQQ-APPZFPTMSA-N -1 1 367.866 2.036 20 0 FEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820735891 606803336 /nfs/dbraw/zinc/80/33/36/606803336.db2.gz VMMHIFWEXOIKQQ-APPZFPTMSA-N -1 1 367.866 2.036 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CCCS1 ZINC000822541278 606809861 /nfs/dbraw/zinc/80/98/61/606809861.db2.gz MWZMVFODFIERHN-NSHDSACASA-N -1 1 358.427 2.184 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCCS1 ZINC000822541278 606809862 /nfs/dbraw/zinc/80/98/62/606809862.db2.gz MWZMVFODFIERHN-NSHDSACASA-N -1 1 358.427 2.184 20 0 FEADMM CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735632880 606912888 /nfs/dbraw/zinc/91/28/88/606912888.db2.gz HOAPNWVXNVJAOA-CYBMUJFWSA-N -1 1 362.409 2.105 20 0 FEADMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)c(O[C@@H]2CCOC2)c1 ZINC000822238549 606948064 /nfs/dbraw/zinc/94/80/64/606948064.db2.gz LVFKGVRXARGYFW-CQSZACIVSA-N -1 1 352.398 2.350 20 0 FEADMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)c(O[C@@H]2CCOC2)c1 ZINC000822238549 606948065 /nfs/dbraw/zinc/94/80/65/606948065.db2.gz LVFKGVRXARGYFW-CQSZACIVSA-N -1 1 352.398 2.350 20 0 FEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000823484321 606988138 /nfs/dbraw/zinc/98/81/38/606988138.db2.gz VSQRQLHJOHUWFD-WDEREUQCSA-N -1 1 359.411 2.250 20 0 FEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000823484321 606988140 /nfs/dbraw/zinc/98/81/40/606988140.db2.gz VSQRQLHJOHUWFD-WDEREUQCSA-N -1 1 359.411 2.250 20 0 FEADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820913644 607093973 /nfs/dbraw/zinc/09/39/73/607093973.db2.gz IKRHFYAOAIPCFW-AWEZNQCLSA-N -1 1 368.445 2.475 20 0 FEADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820913644 607093974 /nfs/dbraw/zinc/09/39/74/607093974.db2.gz IKRHFYAOAIPCFW-AWEZNQCLSA-N -1 1 368.445 2.475 20 0 FEADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820667846 607107493 /nfs/dbraw/zinc/10/74/93/607107493.db2.gz OKWPIHZYZCGYQK-KCJUWKMLSA-N -1 1 369.410 2.170 20 0 FEADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820667846 607107494 /nfs/dbraw/zinc/10/74/94/607107494.db2.gz OKWPIHZYZCGYQK-KCJUWKMLSA-N -1 1 369.410 2.170 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000823379597 607109047 /nfs/dbraw/zinc/10/90/47/607109047.db2.gz AACUMWCPNSVADK-GFCCVEGCSA-N -1 1 373.417 2.065 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000823379597 607109049 /nfs/dbraw/zinc/10/90/49/607109049.db2.gz AACUMWCPNSVADK-GFCCVEGCSA-N -1 1 373.417 2.065 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000820184155 607131243 /nfs/dbraw/zinc/13/12/43/607131243.db2.gz UVYWIYBXFXOSJF-NSHDSACASA-N -1 1 351.432 2.024 20 0 FEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000820184155 607131244 /nfs/dbraw/zinc/13/12/44/607131244.db2.gz UVYWIYBXFXOSJF-NSHDSACASA-N -1 1 351.432 2.024 20 0 FEADMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372424 607140251 /nfs/dbraw/zinc/14/02/51/607140251.db2.gz CLENPGSGHKLTLZ-JTQLQIEISA-N -1 1 357.395 2.348 20 0 FEADMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372424 607140253 /nfs/dbraw/zinc/14/02/53/607140253.db2.gz CLENPGSGHKLTLZ-JTQLQIEISA-N -1 1 357.395 2.348 20 0 FEADMM CC(=O)c1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000819845923 607238674 /nfs/dbraw/zinc/23/86/74/607238674.db2.gz YSYGDUOYHYACHE-UHFFFAOYSA-N -1 1 353.386 2.273 20 0 FEADMM CC(=O)c1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000819845923 607238675 /nfs/dbraw/zinc/23/86/75/607238675.db2.gz YSYGDUOYHYACHE-UHFFFAOYSA-N -1 1 353.386 2.273 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000826418777 607864741 /nfs/dbraw/zinc/86/47/41/607864741.db2.gz WDFXJCHKGSKEOQ-VIFPVBQESA-N -1 1 373.310 2.186 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](C(F)(F)F)C1 ZINC000826418777 607864742 /nfs/dbraw/zinc/86/47/42/607864742.db2.gz WDFXJCHKGSKEOQ-VIFPVBQESA-N -1 1 373.310 2.186 20 0 FEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N[C@H]1CCOc2ccccc21 ZINC000826418382 607866581 /nfs/dbraw/zinc/86/65/81/607866581.db2.gz DFWDSCUBDMOUEO-ZDUSSCGKSA-N -1 1 369.356 2.025 20 0 FEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N[C@H]1CCOc2ccccc21 ZINC000826418382 607866582 /nfs/dbraw/zinc/86/65/82/607866582.db2.gz DFWDSCUBDMOUEO-ZDUSSCGKSA-N -1 1 369.356 2.025 20 0 FEADMM CC(=O)c1cccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824030204 607874573 /nfs/dbraw/zinc/87/45/73/607874573.db2.gz ZFLOTHIBUKAZQV-ZDUSSCGKSA-N -1 1 372.356 2.027 20 0 FEADMM CC(=O)c1cccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824030204 607874574 /nfs/dbraw/zinc/87/45/74/607874574.db2.gz ZFLOTHIBUKAZQV-ZDUSSCGKSA-N -1 1 372.356 2.027 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825212844 607904687 /nfs/dbraw/zinc/90/46/87/607904687.db2.gz SVDNKFJKOCWELH-IUCAKERBSA-N -1 1 355.855 2.036 20 0 FEADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825212844 607904688 /nfs/dbraw/zinc/90/46/88/607904688.db2.gz SVDNKFJKOCWELH-IUCAKERBSA-N -1 1 355.855 2.036 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000825679905 607913084 /nfs/dbraw/zinc/91/30/84/607913084.db2.gz OSKQMJMMFVYKGR-CABZTGNLSA-N -1 1 365.459 2.414 20 0 FEADMM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000825679905 607913085 /nfs/dbraw/zinc/91/30/85/607913085.db2.gz OSKQMJMMFVYKGR-CABZTGNLSA-N -1 1 365.459 2.414 20 0 FEADMM c1ccc(CNc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)cc1 ZINC000826521384 607988919 /nfs/dbraw/zinc/98/89/19/607988919.db2.gz KDHIPSLCMXABIR-UHFFFAOYSA-N -1 1 369.439 2.272 20 0 FEADMM c1ccc(CNc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)cc1 ZINC000826521384 607988920 /nfs/dbraw/zinc/98/89/20/607988920.db2.gz KDHIPSLCMXABIR-UHFFFAOYSA-N -1 1 369.439 2.272 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000826451270 607997896 /nfs/dbraw/zinc/99/78/96/607997896.db2.gz YIOHGJJQAVBDSU-UHFFFAOYSA-N -1 1 365.328 2.354 20 0 FEADMM CCc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[nH]c(C)c1C(C)=O ZINC000825688213 607999245 /nfs/dbraw/zinc/99/92/45/607999245.db2.gz SYUFGXLQEXMUEY-UHFFFAOYSA-N -1 1 354.370 2.226 20 0 FEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc([C@H]2CCOC2)c1 ZINC000826451044 608075947 /nfs/dbraw/zinc/07/59/47/608075947.db2.gz NHEFUJMFZQGICE-AWEZNQCLSA-N -1 1 351.366 2.329 20 0 FEADMM COc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)ccn1 ZINC000826179732 608097053 /nfs/dbraw/zinc/09/70/53/608097053.db2.gz BQBKVKDUBUUKFG-UHFFFAOYSA-N -1 1 368.784 2.287 20 0 FEADMM Cc1nn(Cc2ccccc2)c(Cl)c1Cn1ccnc1-c1nnn[n-]1 ZINC000826334892 608149090 /nfs/dbraw/zinc/14/90/90/608149090.db2.gz NXKYQRYZXVXBON-UHFFFAOYSA-N -1 1 354.805 2.318 20 0 FEADMM Cc1nn(Cc2ccccc2)c(Cl)c1Cn1ccnc1-c1nn[n-]n1 ZINC000826334892 608149091 /nfs/dbraw/zinc/14/90/91/608149091.db2.gz NXKYQRYZXVXBON-UHFFFAOYSA-N -1 1 354.805 2.318 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000826340775 608166612 /nfs/dbraw/zinc/16/66/12/608166612.db2.gz KPEPTBGZKYRIRM-DGCLKSJQSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000826340775 608166614 /nfs/dbraw/zinc/16/66/14/608166614.db2.gz KPEPTBGZKYRIRM-DGCLKSJQSA-N -1 1 370.413 2.104 20 0 FEADMM Cc1cc(C)n2nc(Sc3snc(Cl)c3-c3nnn[n-]3)nc2n1 ZINC000826265764 608174094 /nfs/dbraw/zinc/17/40/94/608174094.db2.gz MHSWRYUGYTVVDR-UHFFFAOYSA-N -1 1 365.835 2.182 20 0 FEADMM Cc1cc(C)n2nc(Sc3snc(Cl)c3-c3nn[n-]n3)nc2n1 ZINC000826265764 608174095 /nfs/dbraw/zinc/17/40/95/608174095.db2.gz MHSWRYUGYTVVDR-UHFFFAOYSA-N -1 1 365.835 2.182 20 0 FEADMM COc1cc(CNc2snc(Cl)c2-c2nnn[n-]2)cc(OC)c1O ZINC000826179792 608179452 /nfs/dbraw/zinc/17/94/52/608179452.db2.gz DRAHTVKZRKHXRX-UHFFFAOYSA-N -1 1 368.806 2.312 20 0 FEADMM COc1cc(CNc2snc(Cl)c2-c2nn[n-]n2)cc(OC)c1O ZINC000826179792 608179453 /nfs/dbraw/zinc/17/94/53/608179453.db2.gz DRAHTVKZRKHXRX-UHFFFAOYSA-N -1 1 368.806 2.312 20 0 FEADMM Cc1cnc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000826318523 608253716 /nfs/dbraw/zinc/25/37/16/608253716.db2.gz MREHJTALRJAYOO-UHFFFAOYSA-N -1 1 374.426 2.025 20 0 FEADMM CSc1nc(C2CC2)cc(C(=O)NCCc2ccc[nH]2)c1-c1nn[n-]n1 ZINC000826231438 608277025 /nfs/dbraw/zinc/27/70/25/608277025.db2.gz LGVCHHIUEHPWSE-UHFFFAOYSA-N -1 1 369.454 2.162 20 0 FEADMM O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826403940 608277445 /nfs/dbraw/zinc/27/74/45/608277445.db2.gz JEOPONMVMDWGNJ-AWEZNQCLSA-N -1 1 359.773 2.288 20 0 FEADMM COCCOCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826161219 608350567 /nfs/dbraw/zinc/35/05/67/608350567.db2.gz XYKLQVYYQIBWNL-UHFFFAOYSA-N -1 1 353.448 2.217 20 0 FEADMM COCCOCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826161219 608350569 /nfs/dbraw/zinc/35/05/69/608350569.db2.gz XYKLQVYYQIBWNL-UHFFFAOYSA-N -1 1 353.448 2.217 20 0 FEADMM Cc1noc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)n1 ZINC000826339831 608371891 /nfs/dbraw/zinc/37/18/91/608371891.db2.gz WEZWIMRLYUHPHZ-GFCCVEGCSA-N -1 1 362.397 2.490 20 0 FEADMM Cc1noc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)n1 ZINC000826339831 608371893 /nfs/dbraw/zinc/37/18/93/608371893.db2.gz WEZWIMRLYUHPHZ-GFCCVEGCSA-N -1 1 362.397 2.490 20 0 FEADMM CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825052763 608399737 /nfs/dbraw/zinc/39/97/37/608399737.db2.gz YOFNMXLSBZYVTC-NSHDSACASA-N -1 1 352.402 2.253 20 0 FEADMM CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825052763 608399739 /nfs/dbraw/zinc/39/97/39/608399739.db2.gz YOFNMXLSBZYVTC-NSHDSACASA-N -1 1 352.402 2.253 20 0 FEADMM CN(CCCc1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825923580 608410626 /nfs/dbraw/zinc/41/06/26/608410626.db2.gz MYLUDSLXQNRZOS-UHFFFAOYSA-N -1 1 362.397 2.381 20 0 FEADMM CN(CCCc1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923580 608410627 /nfs/dbraw/zinc/41/06/27/608410627.db2.gz MYLUDSLXQNRZOS-UHFFFAOYSA-N -1 1 362.397 2.381 20 0 FEADMM COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1Br ZINC000826203806 608410881 /nfs/dbraw/zinc/41/08/81/608410881.db2.gz GXCMDLQXISFUDI-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1Br ZINC000826203806 608410883 /nfs/dbraw/zinc/41/08/83/608410883.db2.gz GXCMDLQXISFUDI-UHFFFAOYSA-N -1 1 362.191 2.040 20 0 FEADMM COCCN(Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)nn1 ZINC000826158740 608433116 /nfs/dbraw/zinc/43/31/16/608433116.db2.gz AODAJIPBWVEWCD-UHFFFAOYSA-N -1 1 363.784 2.102 20 0 FEADMM COCCN(Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)nn1 ZINC000826158740 608433117 /nfs/dbraw/zinc/43/31/17/608433117.db2.gz AODAJIPBWVEWCD-UHFFFAOYSA-N -1 1 363.784 2.102 20 0 FEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000826279740 608544507 /nfs/dbraw/zinc/54/45/07/608544507.db2.gz ADRGETFUTDVASW-UHFFFAOYSA-N -1 1 369.473 2.045 20 0 FEADMM O[C@]1(c2ccc(F)cc2)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826506364 609170249 /nfs/dbraw/zinc/17/02/49/609170249.db2.gz SSKLAIAKNWXADT-MRXNPFEDSA-N -1 1 360.780 2.152 20 0 FEADMM O[C@]1(c2ccc(F)cc2)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826506364 609170252 /nfs/dbraw/zinc/17/02/52/609170252.db2.gz SSKLAIAKNWXADT-MRXNPFEDSA-N -1 1 360.780 2.152 20 0 FEADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000824347683 609263224 /nfs/dbraw/zinc/26/32/24/609263224.db2.gz KGNUKPGHAUJGFN-UHFFFAOYSA-N -1 1 367.822 2.167 20 0 FEADMM CN(C)C(=O)CC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000825839137 609310905 /nfs/dbraw/zinc/31/09/05/609310905.db2.gz GCZRKWCNCILBJM-UHFFFAOYSA-N -1 1 365.441 2.110 20 0 FEADMM CN(C)C(=O)CC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000825839137 609310907 /nfs/dbraw/zinc/31/09/07/609310907.db2.gz GCZRKWCNCILBJM-UHFFFAOYSA-N -1 1 365.441 2.110 20 0 FEADMM Fc1ccc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1Cl ZINC000826375686 609318322 /nfs/dbraw/zinc/31/83/22/609318322.db2.gz YEEODLPOPKAYMP-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM Fc1ccc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1Cl ZINC000826375686 609318324 /nfs/dbraw/zinc/31/83/24/609318324.db2.gz YEEODLPOPKAYMP-VIFPVBQESA-N -1 1 360.784 2.140 20 0 FEADMM C[C@@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824945523 609355107 /nfs/dbraw/zinc/35/51/07/609355107.db2.gz DJYIEYYWMNGINF-SNVBAGLBSA-N -1 1 356.365 2.208 20 0 FEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1CC=CC1 ZINC000826458390 609365186 /nfs/dbraw/zinc/36/51/86/609365186.db2.gz NSPKVVYUFGLNRY-UHFFFAOYSA-N -1 1 354.349 2.032 20 0 FEADMM Cc1onc(CC(=O)NC2(c3ccc(F)cc3F)CCC2)c1-c1nnn[n-]1 ZINC000826346249 609469434 /nfs/dbraw/zinc/46/94/34/609469434.db2.gz HNGAYYVYXVUCTJ-UHFFFAOYSA-N -1 1 374.351 2.179 20 0 FEADMM Cc1onc(CC(=O)NC2(c3ccc(F)cc3F)CCC2)c1-c1nn[n-]n1 ZINC000826346249 609469436 /nfs/dbraw/zinc/46/94/36/609469436.db2.gz HNGAYYVYXVUCTJ-UHFFFAOYSA-N -1 1 374.351 2.179 20 0 FEADMM CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825492597 609604975 /nfs/dbraw/zinc/60/49/75/609604975.db2.gz HBEKRNRTZMDYLB-SNVBAGLBSA-N -1 1 365.459 2.416 20 0 FEADMM CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825492597 609604977 /nfs/dbraw/zinc/60/49/77/609604977.db2.gz HBEKRNRTZMDYLB-SNVBAGLBSA-N -1 1 365.459 2.416 20 0 FEADMM COCc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810904970 674567965 /nfs/dbraw/zinc/56/79/65/674567965.db2.gz LMICYDWUFZTXFG-ZDUSSCGKSA-N -1 1 358.360 2.364 20 0 FEADMM O=C([N-]CCCOC(=O)[C@@H]1CCN(c2ccccc2F)C1)C(F)(F)F ZINC000811377829 674598705 /nfs/dbraw/zinc/59/87/05/674598705.db2.gz KKOXZZXUDXPACJ-LLVKDONJSA-N -1 1 362.323 2.264 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCOCc2ccccc2)o1 ZINC000561563270 674680358 /nfs/dbraw/zinc/68/03/58/674680358.db2.gz AKYWURUAONFGEG-CYBMUJFWSA-N -1 1 367.423 2.340 20 0 FEADMM O=S(=O)([N-]CC1CCN(CC(F)F)CC1)c1ccc(C(F)F)o1 ZINC000641564305 677210290 /nfs/dbraw/zinc/21/02/90/677210290.db2.gz YCDNHVMEGSVSEM-UHFFFAOYSA-N -1 1 358.357 2.473 20 0 FEADMM C[C@H]1CCN(C(=O)[C@H](O)c2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813635601 674763495 /nfs/dbraw/zinc/76/34/95/674763495.db2.gz ZBIFCCJFRMUAAT-AUZPSNTRSA-N -1 1 358.360 2.024 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000813869377 674786720 /nfs/dbraw/zinc/78/67/20/674786720.db2.gz GDPHYTZYFZRMRD-UHFFFAOYSA-N -1 1 360.391 2.371 20 0 FEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC/C=C/Br)o1 ZINC000813929467 674794691 /nfs/dbraw/zinc/79/46/91/674794691.db2.gz UAVUVUJYTGCXHS-QPJJXVBHSA-N -1 1 366.233 2.422 20 0 FEADMM O=C(c1ncc(Br)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000644886825 677250784 /nfs/dbraw/zinc/25/07/84/677250784.db2.gz DQQYIOKSJOUHKO-UHFFFAOYSA-N -1 1 359.205 2.014 20 0 FEADMM CC(Nc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814334620 674832366 /nfs/dbraw/zinc/83/23/66/674832366.db2.gz IAGONURADIJANQ-GXDHUFHOSA-N -1 1 361.423 2.001 20 0 FEADMM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(F)(F)F ZINC000814391062 674840144 /nfs/dbraw/zinc/84/01/44/674840144.db2.gz SAJKWLCYUDMDOK-QMMMGPOBSA-N -1 1 373.740 2.122 20 0 FEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1C ZINC000563803585 674940803 /nfs/dbraw/zinc/94/08/03/674940803.db2.gz UWYIGIJIYLRRQV-CYBMUJFWSA-N -1 1 363.501 2.201 20 0 FEADMM Cc1cccc(-c2nc(CC(=O)N(C)C[C@H](C)c3nn[n-]n3)cs2)c1 ZINC000564614939 675044341 /nfs/dbraw/zinc/04/43/41/675044341.db2.gz GOYMJWPVOCCWIH-LBPRGKRZSA-N -1 1 356.455 2.436 20 0 FEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(Cn2cccn2)on1 ZINC000816426260 675055165 /nfs/dbraw/zinc/05/51/65/675055165.db2.gz ATRWXJCLKQOZOD-UHFFFAOYSA-N -1 1 364.159 2.035 20 0 FEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000816536227 675063637 /nfs/dbraw/zinc/06/36/37/675063637.db2.gz OYAUSODVPRNKJO-UHFFFAOYSA-N -1 1 351.746 2.263 20 0 FEADMM COC(=O)[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000007330318 669967686 /nfs/dbraw/zinc/96/76/86/669967686.db2.gz MDUDCAAFISFEMV-LBPRGKRZSA-N -1 1 363.391 2.206 20 0 FEADMM CCOc1ccc(O[C@@H](C)C(=O)N[N-]C(=O)c2cccnc2Cl)cc1 ZINC000015355126 670011599 /nfs/dbraw/zinc/01/15/99/670011599.db2.gz WUDCONYTWFJRKZ-NSHDSACASA-N -1 1 363.801 2.362 20 0 FEADMM COC[C@@H](C)NC(=S)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000016317213 670018477 /nfs/dbraw/zinc/01/84/77/670018477.db2.gz GEAZOTVZJQSRFK-SNVBAGLBSA-N -1 1 364.496 2.262 20 0 FEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000024222382 670053295 /nfs/dbraw/zinc/05/32/95/670053295.db2.gz MSLIXARNJOFOKD-UHFFFAOYSA-N -1 1 354.453 2.046 20 0 FEADMM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)[N-]Oc1ccccc1 ZINC000816685360 675072986 /nfs/dbraw/zinc/07/29/86/675072986.db2.gz MWFQQJUXKVBKHM-UHFFFAOYSA-N -1 1 354.815 2.119 20 0 FEADMM C=CCn1c(Cc2csc(NC(=O)[C@H]3CCCO3)n2)n[n-]c1=S ZINC000030688225 670113084 /nfs/dbraw/zinc/11/30/84/670113084.db2.gz HFCDUPNVMCHNCQ-SNVBAGLBSA-N -1 1 351.457 2.291 20 0 FEADMM O=C(COC(=O)COc1ccc(F)c(Cl)c1)[N-]C(=O)c1ccccc1 ZINC000031545646 670122025 /nfs/dbraw/zinc/12/20/25/670122025.db2.gz ADQGWSUMWITESS-UHFFFAOYSA-N -1 1 365.744 2.358 20 0 FEADMM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(F)c1 ZINC000032596934 670130291 /nfs/dbraw/zinc/13/02/91/670130291.db2.gz ARJSJEZCASFAOD-UHFFFAOYSA-N -1 1 370.333 2.422 20 0 FEADMM CCCS(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)c1ccccc1F ZINC000032661209 670130871 /nfs/dbraw/zinc/13/08/71/670130871.db2.gz MKRFVASSYUXQFL-UHFFFAOYSA-N -1 1 364.398 2.084 20 0 FEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCOc1ccc(F)cc1 ZINC000042775476 670168427 /nfs/dbraw/zinc/16/84/27/670168427.db2.gz SVAYPAROJRKVIZ-UHFFFAOYSA-N -1 1 359.400 2.495 20 0 FEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCn3cncn3)c2)cc1 ZINC000047417426 670241765 /nfs/dbraw/zinc/24/17/65/670241765.db2.gz XTPWJTZHCKOXAB-UHFFFAOYSA-N -1 1 358.423 2.466 20 0 FEADMM C=C(Br)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000051111455 670291841 /nfs/dbraw/zinc/29/18/41/670291841.db2.gz DKVVNSANDZLRMS-UHFFFAOYSA-N -1 1 366.233 2.422 20 0 FEADMM Cc1cc(C)nc(SCC(=O)NCc2n[n-]c(=S)n2C(C)C)n1 ZINC000066639199 670445553 /nfs/dbraw/zinc/44/55/53/670445553.db2.gz NLXJZWGHTRDRLX-UHFFFAOYSA-N -1 1 352.489 2.337 20 0 FEADMM COc1ccc(CC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1[N+](=O)[O-] ZINC000066640750 670446254 /nfs/dbraw/zinc/44/62/54/670446254.db2.gz CVQFPEOGCFQTKX-UHFFFAOYSA-N -1 1 365.415 2.297 20 0 FEADMM C[C@H]1CCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000565361653 675114802 /nfs/dbraw/zinc/11/48/02/675114802.db2.gz WBQSFURQALOPHA-WFASDCNBSA-N -1 1 351.422 2.140 20 0 FEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000569532540 670574079 /nfs/dbraw/zinc/57/40/79/670574079.db2.gz VLENUHIBTBLBLN-KBPBESRZSA-N -1 1 365.455 2.227 20 0 FEADMM Cc1ccc(/C=C/S(=O)(=O)N[N-]C(=O)c2ccc(Cl)nc2)cc1 ZINC000078989798 670598321 /nfs/dbraw/zinc/59/83/21/670598321.db2.gz KVODHAORQRBQEL-CMDGGOBGSA-N -1 1 351.815 2.279 20 0 FEADMM Nc1nc([O-])c(CC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)s1 ZINC000079395072 670604522 /nfs/dbraw/zinc/60/45/22/670604522.db2.gz RZLOZHKVDPZZFC-OAHLLOKOSA-N -1 1 356.451 2.221 20 0 FEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1)OC ZINC000817353034 675124048 /nfs/dbraw/zinc/12/40/48/675124048.db2.gz MIRROFNUZLDEEN-CWKPULSASA-N -1 1 359.391 2.481 20 0 FEADMM C[C@@](O)(Cc1ccccc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000082991492 670652869 /nfs/dbraw/zinc/65/28/69/670652869.db2.gz DFYRDPSKUBOBRZ-QGZVFWFLSA-N -1 1 350.777 2.234 20 0 FEADMM O=C([C@H]1CCN(c2ccccc2Cl)C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000565569900 675133074 /nfs/dbraw/zinc/13/30/74/675133074.db2.gz BSZVFYGVLWDNRM-STQMWFEESA-N -1 1 360.849 2.086 20 0 FEADMM CO[C@@H](C)CCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817489536 675137884 /nfs/dbraw/zinc/13/78/84/675137884.db2.gz CWLXFVQVMRGBEC-AAEUAGOBSA-N -1 1 358.360 2.438 20 0 FEADMM O=C(C[C@H]1CCOC1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490192 675138136 /nfs/dbraw/zinc/13/81/36/675138136.db2.gz ODUIWWUJWBGTQB-DGCLKSJQSA-N -1 1 356.344 2.049 20 0 FEADMM COC(C)(C)CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817489849 675138162 /nfs/dbraw/zinc/13/81/62/675138162.db2.gz HJXHCOIMTKPIBV-LBPRGKRZSA-N -1 1 358.360 2.438 20 0 FEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCCO1)C(F)(F)F ZINC000817490185 675138297 /nfs/dbraw/zinc/13/82/97/675138297.db2.gz OBYTUXMLFDDDAE-JSGCOSHPSA-N -1 1 356.344 2.192 20 0 FEADMM COCCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493000 675138995 /nfs/dbraw/zinc/13/89/95/675138995.db2.gz PYLPNOPHDXAEMC-CYBMUJFWSA-N -1 1 358.360 2.440 20 0 FEADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)c1 ZINC000571137934 670822006 /nfs/dbraw/zinc/82/20/06/670822006.db2.gz PBKPVSCTXNRROL-NSHDSACASA-N -1 1 367.427 2.122 20 0 FEADMM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000817551207 675145751 /nfs/dbraw/zinc/14/57/51/675145751.db2.gz HCLJPVHRHWXCJS-NSHDSACASA-N -1 1 372.805 2.441 20 0 FEADMM Cc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000571696017 670913258 /nfs/dbraw/zinc/91/32/58/670913258.db2.gz WTBDRNYIDNLVQM-UHFFFAOYSA-N -1 1 365.455 2.332 20 0 FEADMM O=C([O-])c1cn([C@@H]2CCCN(CCOc3ccc(F)cc3Cl)C2)nn1 ZINC000571811624 670928001 /nfs/dbraw/zinc/92/80/01/670928001.db2.gz ZFDWIHWPHFPRMT-GFCCVEGCSA-N -1 1 368.796 2.485 20 0 FEADMM CCc1cc(=O)[n-]c(SCc2ccc(S(=O)(=O)N(C)C)s2)n1 ZINC000572119335 670963759 /nfs/dbraw/zinc/96/37/59/670963759.db2.gz IDKBMEIHULMXIZ-UHFFFAOYSA-N -1 1 359.498 2.349 20 0 FEADMM O=S(=O)([N-][C@@H]1CCO[C@]2(CCOC2)C1)c1cc2cc(F)ccc2o1 ZINC000572334366 670988629 /nfs/dbraw/zinc/98/86/29/670988629.db2.gz UVXOIRVWSMCBBS-CZUORRHYSA-N -1 1 355.387 2.188 20 0 FEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)n1 ZINC000572471523 671005829 /nfs/dbraw/zinc/00/58/29/671005829.db2.gz FUPAGMZXHSAWPM-WPRPVWTQSA-N -1 1 372.809 2.133 20 0 FEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)[n-]1 ZINC000572471523 671005830 /nfs/dbraw/zinc/00/58/30/671005830.db2.gz FUPAGMZXHSAWPM-WPRPVWTQSA-N -1 1 372.809 2.133 20 0 FEADMM COc1ccc(Cn2ccc([N-]S(=O)(=O)N3CCC(C)CC3)n2)cc1 ZINC000566030747 675168574 /nfs/dbraw/zinc/16/85/74/675168574.db2.gz JEZMRNYTWLIVTL-UHFFFAOYSA-N -1 1 364.471 2.329 20 0 FEADMM O=C1C[C@@H](Oc2ccccc2[N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)N1 ZINC000573792247 671165105 /nfs/dbraw/zinc/16/51/05/671165105.db2.gz DVQWVPSIEJTIRT-FDQGKXFDSA-N -1 1 358.419 2.209 20 0 FEADMM CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000573811614 671167987 /nfs/dbraw/zinc/16/79/87/671167987.db2.gz UHBHKBQSEYIANW-JTQLQIEISA-N -1 1 364.789 2.407 20 0 FEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)C(O)(CC)CC)o1 ZINC000575003449 671292181 /nfs/dbraw/zinc/29/21/81/671292181.db2.gz NQYPWVRWEDTHGI-UHFFFAOYSA-N -1 1 361.460 2.312 20 0 FEADMM CC(C)OC[C@H](O)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000576166937 671348331 /nfs/dbraw/zinc/34/83/31/671348331.db2.gz IMTXVCPDRZEUJB-DOMZBBRYSA-N -1 1 372.259 2.046 20 0 FEADMM Cc1ccc(SCCNC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000576399879 671365840 /nfs/dbraw/zinc/36/58/40/671365840.db2.gz VHZNGSWXRFMELD-GJZGRUSLSA-N -1 1 350.484 2.388 20 0 FEADMM Cc1ccc(SCCNC(=O)CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000576399879 671365846 /nfs/dbraw/zinc/36/58/46/671365846.db2.gz VHZNGSWXRFMELD-GJZGRUSLSA-N -1 1 350.484 2.388 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c(F)c1 ZINC000576609917 671381728 /nfs/dbraw/zinc/38/17/28/671381728.db2.gz BTQFCVGXZHVYEV-QMMMGPOBSA-N -1 1 357.325 2.479 20 0 FEADMM CC(C)C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000576881312 671401772 /nfs/dbraw/zinc/40/17/72/671401772.db2.gz ZBFJGQIICUOPSS-OAHLLOKOSA-N -1 1 374.890 2.146 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1C(N)=O ZINC000608955593 675907797 /nfs/dbraw/zinc/90/77/97/675907797.db2.gz BYDXUYJGODBDDZ-UHFFFAOYSA-N -1 1 366.464 2.458 20 0 FEADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000609023755 675909007 /nfs/dbraw/zinc/90/90/07/675909007.db2.gz VDAHAWZFSGSWAN-UHFFFAOYSA-N -1 1 363.391 2.069 20 0 FEADMM Cc1nnc2n1C[C@@H](C[N-]S(=O)(=O)c1cc3cc(F)ccc3o1)CC2 ZINC000577349930 671589504 /nfs/dbraw/zinc/58/95/04/671589504.db2.gz CISAGYKJRFLPNS-LLVKDONJSA-N -1 1 364.402 2.013 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccc(OC)cc2)o1 ZINC000609352209 675919595 /nfs/dbraw/zinc/91/95/95/675919595.db2.gz RSJJFGDQDDJZKE-UHFFFAOYSA-N -1 1 367.423 2.331 20 0 FEADMM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1nc2ccccc2s1 ZINC000578009496 671634506 /nfs/dbraw/zinc/63/45/06/671634506.db2.gz WFHHAEVUXFBSNF-VIFPVBQESA-N -1 1 365.402 2.211 20 0 FEADMM CN(Cc1ncccc1[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000578469860 671667375 /nfs/dbraw/zinc/66/73/75/671667375.db2.gz DQBIBYGVGTWWKM-CQSZACIVSA-N -1 1 350.216 2.208 20 0 FEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCO[C@@]4(CCOC4)C3)c12 ZINC000578631144 671678972 /nfs/dbraw/zinc/67/89/72/671678972.db2.gz RXARTQLQQAIDBJ-DIFFPNOSSA-N -1 1 363.439 2.178 20 0 FEADMM COc1cccc(OC)c1OCCCCN1CCO[C@@H](CC(=O)[O-])C1 ZINC000579132937 671714778 /nfs/dbraw/zinc/71/47/78/671714778.db2.gz RGHXBMGITXNHDQ-AWEZNQCLSA-N -1 1 353.415 2.038 20 0 FEADMM Cc1cc(NC(=O)c2c([O-])cnc3c(Br)cccc32)nn1C ZINC000579295604 671725437 /nfs/dbraw/zinc/72/54/37/671725437.db2.gz KJPGKWWNGFSOIC-UHFFFAOYSA-N -1 1 361.199 2.997 20 0 FEADMM CCO[C@@H]1C[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000580693700 671825177 /nfs/dbraw/zinc/82/51/77/671825177.db2.gz DXRDEJPWQRBTCG-DLBZAZTESA-N -1 1 360.435 2.395 20 0 FEADMM COCc1nc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)cs1 ZINC000581915771 671948996 /nfs/dbraw/zinc/94/89/96/671948996.db2.gz SKUFMMVSEMCQJK-UHFFFAOYSA-N -1 1 368.484 2.064 20 0 FEADMM CCOc1cc(C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)cc(Cl)c1[O-] ZINC000582285364 671985499 /nfs/dbraw/zinc/98/54/99/671985499.db2.gz RAHSQQRCHIKZAQ-AAEUAGOBSA-N -1 1 352.818 2.328 20 0 FEADMM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000125713671 672015630 /nfs/dbraw/zinc/01/56/30/672015630.db2.gz 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CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1ccc([O-])c(F)c1 ZINC000681067649 672626536 /nfs/dbraw/zinc/62/65/36/672626536.db2.gz FKFWDGCBZDGLON-UHFFFAOYSA-N -1 1 350.371 2.106 20 0 FEADMM O=C(CN1CCCCCCC1=O)Nc1nc(Br)ccc1[O-] ZINC000189977922 672628593 /nfs/dbraw/zinc/62/85/93/672628593.db2.gz YQFDWULSPZGXGS-UHFFFAOYSA-N -1 1 356.220 2.281 20 0 FEADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@@H]2COC[C@@H]21 ZINC000590921761 672632717 /nfs/dbraw/zinc/63/27/17/672632717.db2.gz OGHJMMTVYOTRDW-SKDRFNHKSA-N -1 1 373.190 2.248 20 0 FEADMM COC(=O)c1cc(C(=O)[N-]c2nc(C(C)(C)C)c(C(=O)OC)s2)on1 ZINC000611591081 676046882 /nfs/dbraw/zinc/04/68/82/676046882.db2.gz PBNRTTFWYCLGOU-UHFFFAOYSA-N -1 1 367.383 2.254 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000194032369 672744867 /nfs/dbraw/zinc/74/48/67/672744867.db2.gz CSYNDKVTMVKHNR-FPYGCLRLSA-N -1 1 352.799 2.345 20 0 FEADMM CCCC[C@H](NC(=O)NCC)C(=O)Nc1nc(Br)ccc1[O-] ZINC000194572664 672762600 /nfs/dbraw/zinc/76/26/00/672762600.db2.gz 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/nfs/dbraw/zinc/05/31/20/673053120.db2.gz ZANIHYYZIWTWSY-HOTGVXAUSA-N -1 1 351.447 2.241 20 0 FEADMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859182327 683052487 /nfs/dbraw/zinc/05/24/87/683052487.db2.gz OFDMRAXJACLWSS-UHFFFAOYSA-N -1 1 369.256 2.059 20 0 FEADMM CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)CC(C)C ZINC000725821750 673092710 /nfs/dbraw/zinc/09/27/10/673092710.db2.gz ITTOKOPOXBDDOT-LLVKDONJSA-N -1 1 364.414 2.404 20 0 FEADMM CCC[C@@H](C(=O)OCC)n1ccc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)n1 ZINC000594702136 673119689 /nfs/dbraw/zinc/11/96/89/673119689.db2.gz PYTOMLCMUWXGCS-KGLIPLIRSA-N -1 1 372.491 2.176 20 0 FEADMM CCC[C@H](C(=O)OCC)n1ccc([N-]S(=O)(=O)N2CCC[C@H](C)C2)n1 ZINC000594702137 673119837 /nfs/dbraw/zinc/11/98/37/673119837.db2.gz PYTOMLCMUWXGCS-UONOGXRCSA-N -1 1 372.491 2.176 20 0 FEADMM CCCCN(C)S(=O)(=O)[N-]c1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000594703606 673120344 /nfs/dbraw/zinc/12/03/44/673120344.db2.gz ZJLYNYOYHDGEMX-ZDUSSCGKSA-N -1 1 360.480 2.176 20 0 FEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)cc1 ZINC000728185412 673195666 /nfs/dbraw/zinc/19/56/66/673195666.db2.gz QTORRVPLSIUDBG-UHFFFAOYSA-N -1 1 372.493 2.165 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)o1 ZINC000427630904 673211033 /nfs/dbraw/zinc/21/10/33/673211033.db2.gz VLLOVSBQNMEGRU-UHFFFAOYSA-N -1 1 360.435 2.417 20 0 FEADMM COCCC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CCCC1 ZINC000595326274 673225015 /nfs/dbraw/zinc/22/50/15/673225015.db2.gz ZFJHRWSLIWQNNI-UHFFFAOYSA-N -1 1 359.444 2.250 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](C)c2ncc(C)s2)cc1C ZINC000595327078 673225157 /nfs/dbraw/zinc/22/51/57/673225157.db2.gz CGGUWVCYAMYWKJ-VIFPVBQESA-N -1 1 358.441 2.222 20 0 FEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2(c3ccccc3OC)CC2)cc1C ZINC000595349077 673229642 /nfs/dbraw/zinc/22/96/42/673229642.db2.gz XQFNRMYHMXXDEO-UHFFFAOYSA-N -1 1 365.407 2.351 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)c(F)c1 ZINC000595352943 673230839 /nfs/dbraw/zinc/23/08/39/673230839.db2.gz NJZLMDWXGSGGNW-NSHDSACASA-N -1 1 351.346 2.182 20 0 FEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)no1 ZINC000729483068 673236379 /nfs/dbraw/zinc/23/63/79/673236379.db2.gz PWXNTXLAIZQGGA-UHFFFAOYSA-N -1 1 351.215 2.293 20 0 FEADMM Cc1ccn([C@@H](C)CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000613249521 676119599 /nfs/dbraw/zinc/11/95/99/676119599.db2.gz FNPCCOPUXQNOPE-NSHDSACASA-N -1 1 354.407 2.292 20 0 FEADMM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462698082 673276443 /nfs/dbraw/zinc/27/64/43/673276443.db2.gz FAVQBGZRSKOHDP-MNOVXSKESA-N -1 1 366.480 2.300 20 0 FEADMM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2n[nH]cc2Br)cc1 ZINC000731631863 673336210 /nfs/dbraw/zinc/33/62/10/673336210.db2.gz HSOIOYSMPFKUDB-UHFFFAOYSA-N -1 1 374.141 2.273 20 0 FEADMM COc1ccc(NC(=O)/C=C/c2cnc(C)s2)cc1[N-]S(C)(=O)=O ZINC000732754217 673380618 /nfs/dbraw/zinc/38/06/18/673380618.db2.gz SIGBYVIUWHJPGV-FNORWQNLSA-N -1 1 367.452 2.484 20 0 FEADMM CC(=O)Nc1cc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c(F)cc1F ZINC000733100632 673398348 /nfs/dbraw/zinc/39/83/48/673398348.db2.gz SLWDIBFDBDSBMW-UHFFFAOYSA-N -1 1 358.322 2.172 20 0 FEADMM O=C(CCc1cccs1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000537785419 673407689 /nfs/dbraw/zinc/40/76/89/673407689.db2.gz ALDCOOPJQUAHKW-UHFFFAOYSA-N -1 1 366.464 2.466 20 0 FEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cc3ccccc3o2)c1 ZINC000538606638 673447659 /nfs/dbraw/zinc/44/76/59/673447659.db2.gz HBNZFWMQGOHXQY-UHFFFAOYSA-N -1 1 360.391 2.357 20 0 FEADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000734415771 673462729 /nfs/dbraw/zinc/46/27/29/673462729.db2.gz IKORLJIISFWOPI-QHCPKHFHSA-N -1 1 365.432 2.036 20 0 FEADMM CCO[C@H](CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000538870578 673463522 /nfs/dbraw/zinc/46/35/22/673463522.db2.gz NZNJFYDINSYADD-OAHLLOKOSA-N -1 1 358.460 2.176 20 0 FEADMM CCCCOC(=O)C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000735504072 673495485 /nfs/dbraw/zinc/49/54/85/673495485.db2.gz VDUKZZFNYNSJLN-UHFFFAOYSA-N -1 1 352.412 2.104 20 0 FEADMM CO[C@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCO1 ZINC000613810887 676149330 /nfs/dbraw/zinc/14/93/30/676149330.db2.gz IRPHLIVAXZGQJE-GFCCVEGCSA-N -1 1 367.199 2.148 20 0 FEADMM NC(=O)CCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000540473664 673541545 /nfs/dbraw/zinc/54/15/45/673541545.db2.gz LQXMDGDUSMCWOW-UHFFFAOYSA-N -1 1 358.769 2.293 20 0 FEADMM COCc1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000737016215 673547555 /nfs/dbraw/zinc/54/75/55/673547555.db2.gz AAGNNVAGWDCBLP-UHFFFAOYSA-N -1 1 359.411 2.122 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@H]2COC[C@H]2C1 ZINC000598395544 673566474 /nfs/dbraw/zinc/56/64/74/673566474.db2.gz PQTSXROSBIFZMZ-WDEREUQCSA-N -1 1 373.190 2.105 20 0 FEADMM O=C(CCCCOc1ccc(Br)cc1)OCc1nn[n-]n1 ZINC000737832693 673583201 /nfs/dbraw/zinc/58/32/01/673583201.db2.gz KGCKRXXVGGUPKY-UHFFFAOYSA-N -1 1 355.192 2.255 20 0 FEADMM COC(=O)[C@@H]([N-]S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1Cl ZINC000543168275 673629185 /nfs/dbraw/zinc/62/91/85/673629185.db2.gz DRVIHFNXRGNCLP-LBPRGKRZSA-N -1 1 367.254 2.138 20 0 FEADMM CCO[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(C)c(C)c1)C1CC1 ZINC000599279952 673652893 /nfs/dbraw/zinc/65/28/93/673652893.db2.gz YUMQANCRXDCJLW-SJORKVTESA-N -1 1 369.483 2.252 20 0 FEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(SC)CCC2)c1F ZINC000599291954 673654445 /nfs/dbraw/zinc/65/44/45/673654445.db2.gz AINNCXFNDWUDRP-UHFFFAOYSA-N -1 1 365.423 2.315 20 0 FEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC1(C)OCCO1 ZINC000741158054 673673480 /nfs/dbraw/zinc/67/34/80/673673480.db2.gz ASCFQLRMQYBFNF-SECBINFHSA-N -1 1 353.362 2.171 20 0 FEADMM CC[C@H](CSC)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000599745573 673712695 /nfs/dbraw/zinc/71/26/95/673712695.db2.gz UQSZMNFAPKJSQZ-SNVBAGLBSA-N -1 1 350.440 2.417 20 0 FEADMM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1ccc(Br)cn1 ZINC000742274388 673717784 /nfs/dbraw/zinc/71/77/84/673717784.db2.gz VKEFUKNYLJFVCS-LURJTMIESA-N -1 1 360.060 2.316 20 0 FEADMM Cc1c(NC(=O)c2ccc(I)c([O-])c2)cnn1C ZINC000544828023 673734754 /nfs/dbraw/zinc/73/47/54/673734754.db2.gz KTISOMSVCBJGFC-UHFFFAOYSA-N -1 1 357.151 2.291 20 0 FEADMM O=C(c1cccc2c1OC(F)(F)O2)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614474898 676177019 /nfs/dbraw/zinc/17/70/19/676177019.db2.gz FGZPKPKZLACDER-UHFFFAOYSA-N -1 1 353.281 2.117 20 0 FEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCCCCC1 ZINC000744575676 673802335 /nfs/dbraw/zinc/80/23/35/673802335.db2.gz WBVVMWDADIQHOB-UHFFFAOYSA-N -1 1 368.455 2.008 20 0 FEADMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546781373 673818624 /nfs/dbraw/zinc/81/86/24/673818624.db2.gz HWUCFKPOEHAKEX-QMMMGPOBSA-N -1 1 354.222 2.052 20 0 FEADMM COc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc(Cl)c1[O-] ZINC000546593444 673804934 /nfs/dbraw/zinc/80/49/34/673804934.db2.gz ZXSILOSQQWSRIX-UHFFFAOYSA-N -1 1 370.814 2.262 20 0 FEADMM COC(=O)CCN1CCC[C@@H](Sc2nc(C)c(C3CC3)c(=O)[n-]2)C1=O ZINC000601088225 673824725 /nfs/dbraw/zinc/82/47/25/673824725.db2.gz NIXLGNUGFBMUEP-GFCCVEGCSA-N -1 1 365.455 2.014 20 0 FEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cn1 ZINC000546881421 673825055 /nfs/dbraw/zinc/82/50/55/673825055.db2.gz AZQQFYZOVUKETE-UHFFFAOYSA-N -1 1 366.361 2.412 20 0 FEADMM O=C(c1ccc(I)c([O-])c1)N1CCOC[C@H]1C1CC1 ZINC000546919125 673827850 /nfs/dbraw/zinc/82/78/50/673827850.db2.gz FZIAIBJMNHKRGN-LBPRGKRZSA-N -1 1 373.190 2.248 20 0 FEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601284093 673837871 /nfs/dbraw/zinc/83/78/71/673837871.db2.gz FQFMAWSKXOSKMR-NSHDSACASA-N -1 1 359.350 2.280 20 0 FEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccccc1 ZINC000601357341 673847612 /nfs/dbraw/zinc/84/76/12/673847612.db2.gz AFGPPPOMNQGCCE-LLVKDONJSA-N -1 1 359.350 2.452 20 0 FEADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000614772572 676190654 /nfs/dbraw/zinc/19/06/54/676190654.db2.gz ZBGBHPHBOKHPSH-UHFFFAOYSA-N -1 1 366.420 2.006 20 0 FEADMM O=C([O-])c1c(NS(=O)(=O)c2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000547569378 673865482 /nfs/dbraw/zinc/86/54/82/673865482.db2.gz OQOCQYJVIFSFFD-UHFFFAOYSA-N -1 1 358.278 2.372 20 0 FEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000747405066 673926403 /nfs/dbraw/zinc/92/64/03/673926403.db2.gz JGGOTEJRSIPZNR-SFHVURJKSA-N -1 1 359.451 2.166 20 0 FEADMM COCCCOC1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747405716 673926422 /nfs/dbraw/zinc/92/64/22/673926422.db2.gz QWDUVCHSVZLXRK-UHFFFAOYSA-N -1 1 351.447 2.272 20 0 FEADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000747421871 673927737 /nfs/dbraw/zinc/92/77/37/673927737.db2.gz WDXYQUFMOWFVOD-OLZOCXBDSA-N -1 1 363.845 2.231 20 0 FEADMM COC(=O)c1coc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548219908 673936855 /nfs/dbraw/zinc/93/68/55/673936855.db2.gz RMFNYPPNXMLJHW-UHFFFAOYSA-N -1 1 359.743 2.219 20 0 FEADMM COc1cccc(OC)c1S(=O)(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC000548227081 673938065 /nfs/dbraw/zinc/93/80/65/673938065.db2.gz GEDNXMDSUDLXPD-UHFFFAOYSA-N -1 1 373.333 2.481 20 0 FEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CC2CCOCC2)n[n-]1 ZINC000548384780 673954695 /nfs/dbraw/zinc/95/46/95/673954695.db2.gz JRNAPFCYBKSHGI-CYBMUJFWSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CC2CCOCC2)[n-]1 ZINC000548384780 673954697 /nfs/dbraw/zinc/95/46/97/673954697.db2.gz JRNAPFCYBKSHGI-CYBMUJFWSA-N -1 1 352.435 2.002 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CC2CCOCC2)n1 ZINC000548384780 673954699 /nfs/dbraw/zinc/95/46/99/673954699.db2.gz JRNAPFCYBKSHGI-CYBMUJFWSA-N -1 1 352.435 2.002 20 0 FEADMM CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000548525041 673965377 /nfs/dbraw/zinc/96/53/77/673965377.db2.gz LZQKLUKEVABARR-UHFFFAOYSA-N -1 1 372.399 2.022 20 0 FEADMM O=C([O-])[C@]1(C(F)(F)F)CCN(c2nc(C(F)(F)F)nc3[nH]cnc32)C1 ZINC000566919177 675253100 /nfs/dbraw/zinc/25/31/00/675253100.db2.gz YFMDLXNQDMDZDP-JTQLQIEISA-N -1 1 369.225 2.215 20 0 FEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1nnc([C@H]2CCCO2)o1 ZINC000567002620 675259556 /nfs/dbraw/zinc/25/95/56/675259556.db2.gz YUHXNKKEGWFJMZ-SSDOTTSWSA-N -1 1 373.341 2.085 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)NC(=O)OC(C)(C)C)c(F)c1 ZINC000819883441 675318632 /nfs/dbraw/zinc/31/86/32/675318632.db2.gz XFEDJJCNXDWHNC-JTQLQIEISA-N -1 1 364.414 2.465 20 0 FEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000820638290 675375806 /nfs/dbraw/zinc/37/58/06/675375806.db2.gz AWHKQGATWOJUDH-XELLLNAOSA-N -1 1 371.455 2.259 20 0 FEADMM Cc1nc(-c2ccc(N[C@H](C)C3(S(C)(=O)=O)CC3)nc2)[n-]c(=O)c1C ZINC000568780392 675400251 /nfs/dbraw/zinc/40/02/51/675400251.db2.gz MTPXVCBYCGMIBV-GFCCVEGCSA-N -1 1 362.455 2.239 20 0 FEADMM CCCCN(C)S(=O)(=O)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000568852441 675405249 /nfs/dbraw/zinc/40/52/49/675405249.db2.gz NJPIIZZTCVDWCS-UHFFFAOYSA-N -1 1 363.439 2.460 20 0 FEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1 ZINC000821151118 675418688 /nfs/dbraw/zinc/41/86/88/675418688.db2.gz VJTCRXWIDMJUMA-HNNXBMFYSA-N -1 1 356.444 2.427 20 0 FEADMM O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823043891 675525366 /nfs/dbraw/zinc/52/53/66/675525366.db2.gz LFVXCCVXKSYMDY-UHFFFAOYSA-N -1 1 370.316 2.360 20 0 FEADMM O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823043891 675525368 /nfs/dbraw/zinc/52/53/68/675525368.db2.gz LFVXCCVXKSYMDY-UHFFFAOYSA-N -1 1 370.316 2.360 20 0 FEADMM O=C([C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000823191430 675535317 /nfs/dbraw/zinc/53/53/17/675535317.db2.gz OEKVPNQGGZCALX-MPKXVKKWSA-N -1 1 365.796 2.086 20 0 FEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(Br)c1 ZINC000823380094 675548857 /nfs/dbraw/zinc/54/88/57/675548857.db2.gz PYNLWPPSGSLRDG-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(Br)c1 ZINC000823380094 675548861 /nfs/dbraw/zinc/54/88/61/675548861.db2.gz PYNLWPPSGSLRDG-UHFFFAOYSA-N -1 1 351.189 2.338 20 0 FEADMM COC(=O)[C@H](CCF)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000823911379 675576753 /nfs/dbraw/zinc/57/67/53/675576753.db2.gz WPCLUQVTYODWEY-JTQLQIEISA-N -1 1 353.724 2.458 20 0 FEADMM Cc1nc(C[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)sc1C(N)=O ZINC000824486361 675605859 /nfs/dbraw/zinc/60/58/59/675605859.db2.gz MKFBAIXEBVDLDE-UHFFFAOYSA-N -1 1 374.800 2.315 20 0 FEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)n[n-]1 ZINC000824887848 675626733 /nfs/dbraw/zinc/62/67/33/675626733.db2.gz SVHFQFAILTWLIJ-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)[n-]1 ZINC000824887848 675626734 /nfs/dbraw/zinc/62/67/34/675626734.db2.gz SVHFQFAILTWLIJ-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)n1 ZINC000824887848 675626736 /nfs/dbraw/zinc/62/67/36/675626736.db2.gz SVHFQFAILTWLIJ-SNVBAGLBSA-N -1 1 350.806 2.363 20 0 FEADMM Cc1onc(CC(=O)NC(C)(C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826345742 675686677 /nfs/dbraw/zinc/68/66/77/675686677.db2.gz SNTCDGBHTRTONP-UHFFFAOYSA-N -1 1 360.805 2.411 20 0 FEADMM Cc1onc(CC(=O)NC(C)(C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826345742 675686679 /nfs/dbraw/zinc/68/66/79/675686679.db2.gz SNTCDGBHTRTONP-UHFFFAOYSA-N -1 1 360.805 2.411 20 0 FEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)ccc1F ZINC000605651824 675822672 /nfs/dbraw/zinc/82/26/72/675822672.db2.gz YFRCEIDIRSZTRG-UHFFFAOYSA-N -1 1 366.374 2.076 20 0 FEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000608258197 675887640 /nfs/dbraw/zinc/88/76/40/675887640.db2.gz OFQHSKCGRAZAHF-UHFFFAOYSA-N -1 1 366.443 2.475 20 0 FEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)[nH]n1 ZINC000608258135 675887721 /nfs/dbraw/zinc/88/77/21/675887721.db2.gz AVXDJIOQCJDSAG-UHFFFAOYSA-N -1 1 362.455 2.400 20 0 FEADMM CN(Cc1cccc(O)c1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617081883 676269127 /nfs/dbraw/zinc/26/91/27/676269127.db2.gz XWSVSQBNTFDUPN-UHFFFAOYSA-N -1 1 366.439 2.334 20 0 FEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000617169550 676272197 /nfs/dbraw/zinc/27/21/97/676272197.db2.gz PHYHGFJIQBWWNZ-CQSZACIVSA-N -1 1 354.403 2.078 20 0 FEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](C)[C@@H]2CCO)c(=O)[n-]1 ZINC000618001639 676315621 /nfs/dbraw/zinc/31/56/21/676315621.db2.gz ZJDPLIDXWCZFLH-FZMZJTMJSA-N -1 1 353.488 2.155 20 0 FEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccccc1 ZINC000618594539 676345470 /nfs/dbraw/zinc/34/54/70/676345470.db2.gz OBXCDCSOMNDRJN-CQSZACIVSA-N -1 1 351.428 2.116 20 0 FEADMM CO[C@H](CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCCC1 ZINC000620174889 676409376 /nfs/dbraw/zinc/40/93/76/676409376.db2.gz ZFQJEKATEBBKHU-CQSZACIVSA-N -1 1 353.488 2.467 20 0 FEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(OC)n1 ZINC000620710608 676425855 /nfs/dbraw/zinc/42/58/55/676425855.db2.gz SVXLCOMFMRFBLO-UHFFFAOYSA-N -1 1 366.395 2.215 20 0 FEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)o1 ZINC000621222219 676446690 /nfs/dbraw/zinc/44/66/90/676446690.db2.gz LJPHOHRIDUMJEZ-GOSISDBHSA-N -1 1 362.451 2.285 20 0 FEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)NC1CCCC1 ZINC000621820345 676476119 /nfs/dbraw/zinc/47/61/19/676476119.db2.gz RUFWOSICKGGKHY-UHFFFAOYSA-N -1 1 357.284 2.392 20 0 FEADMM CN1CC[C@@H](CNC(=O)N2CC(C(=O)[O-])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621832175 676476800 /nfs/dbraw/zinc/47/68/00/676476800.db2.gz JOUFAOGKJBDORY-NHYWBVRUSA-N -1 1 369.824 2.198 20 0 FEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000622612370 676502854 /nfs/dbraw/zinc/50/28/54/676502854.db2.gz VKQBEPCHUVCJQO-CABCVRRESA-N -1 1 355.785 2.062 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3scnc3C(C)(C)C)nc2n1 ZINC000622996200 676514679 /nfs/dbraw/zinc/51/46/79/676514679.db2.gz GSLWCKDFIFMTCH-UHFFFAOYSA-N -1 1 360.443 2.376 20 0 FEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)nc2n1 ZINC000622998101 676515074 /nfs/dbraw/zinc/51/50/74/676515074.db2.gz XZYAWVZAIAUZJE-RKDXNWHRSA-N -1 1 357.336 2.287 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)s1 ZINC000677555243 679686067 /nfs/dbraw/zinc/68/60/67/679686067.db2.gz KJGMNYBORDCFCD-UHFFFAOYSA-N -1 1 365.440 2.395 20 0 FEADMM COc1cc(C(=O)[N-]c2nn3cnnc3s2)sc1Br ZINC000677644431 679690408 /nfs/dbraw/zinc/69/04/08/679690408.db2.gz NKUQQDNDLHMVQD-UHFFFAOYSA-N -1 1 360.218 2.271 20 0 FEADMM O=c1ccc([C@@H]2OCC[C@H]2[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c[nH]1 ZINC000625540020 676654804 /nfs/dbraw/zinc/65/48/04/676654804.db2.gz AMIMMRZFZUPJTQ-BMIGLBTASA-N -1 1 374.340 2.013 20 0 FEADMM O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1c(Cl)cc(F)cc1Br ZINC000625568018 676657730 /nfs/dbraw/zinc/65/77/30/676657730.db2.gz BPGRIJZACUGQGI-WRXNHJIOSA-N -1 1 372.643 2.291 20 0 FEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCN1C1CCC1 ZINC000625691503 676668650 /nfs/dbraw/zinc/66/86/50/676668650.db2.gz LMYACXLVZQOXNB-CYBMUJFWSA-N -1 1 352.387 2.004 20 0 FEADMM COc1cc2[n-]cc(C(=O)N[C@H]3CCC(F)(F)C3)c(=O)c2c(OC)c1 ZINC000626144426 676691676 /nfs/dbraw/zinc/69/16/76/676691676.db2.gz FQKCXLJYMWLVOZ-VIFPVBQESA-N -1 1 352.337 2.463 20 0 FEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1OC(F)(F)F ZINC000626237661 676698328 /nfs/dbraw/zinc/69/83/28/676698328.db2.gz BMVGZKRFZAZOBV-NSHDSACASA-N -1 1 355.320 2.427 20 0 FEADMM C[C@@H](CN(C)C(=O)c1csc(N(C)c2ccccc2)n1)c1nn[n-]n1 ZINC000626443451 676706285 /nfs/dbraw/zinc/70/62/85/676706285.db2.gz FODIUTRJYSXQLX-NSHDSACASA-N -1 1 357.443 2.300 20 0 FEADMM O=C(NC1(CO)CCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000678093747 679715112 /nfs/dbraw/zinc/71/51/12/679715112.db2.gz IQWMIXBPVXHBGO-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM CSc1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)ccn1 ZINC000678029571 679710758 /nfs/dbraw/zinc/71/07/58/679710758.db2.gz BYPJURHYFBVGMC-UHFFFAOYSA-N -1 1 363.464 2.497 20 0 FEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1cccc(F)c1[O-] ZINC000628961274 676825980 /nfs/dbraw/zinc/82/59/80/676825980.db2.gz ZEYKFQLKVGQBNN-SGMGOOAPSA-N -1 1 353.419 2.196 20 0 FEADMM O=C(NC1(CO)CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000678092105 679714660 /nfs/dbraw/zinc/71/46/60/679714660.db2.gz AMYNCEDRBYOPDH-UHFFFAOYSA-N -1 1 360.435 2.132 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3c(F)cccc3F)CCC2)co1 ZINC000629934595 676876263 /nfs/dbraw/zinc/87/62/63/676876263.db2.gz QUKJJFGZMSFLCU-UHFFFAOYSA-N -1 1 370.377 2.275 20 0 FEADMM CCOc1cc(Cl)ccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630220129 676887590 /nfs/dbraw/zinc/88/75/90/676887590.db2.gz MLTYHTRNTHONNO-LBPRGKRZSA-N -1 1 354.834 2.360 20 0 FEADMM C[C@@H](O)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000678379210 679727217 /nfs/dbraw/zinc/72/72/17/679727217.db2.gz JMAXRSCOMFPZLP-SECBINFHSA-N -1 1 370.814 2.166 20 0 FEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC(Cc2nccs2)CC1 ZINC000631483830 676946130 /nfs/dbraw/zinc/94/61/30/676946130.db2.gz PKYZWRHXVMGFLZ-UHFFFAOYSA-N -1 1 354.435 2.475 20 0 FEADMM COC1(CS(=O)(=O)[N-]C2(c3noc(C)n3)CCCCCC2)CCC1 ZINC000631731896 676954236 /nfs/dbraw/zinc/95/42/36/676954236.db2.gz DGCGZIHHAJRRJY-UHFFFAOYSA-N -1 1 357.476 2.416 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)NCc1ccccc1 ZINC000631787897 676957566 /nfs/dbraw/zinc/95/75/66/676957566.db2.gz YWSBABQEATYTLD-JTQLQIEISA-N -1 1 358.366 2.200 20 0 FEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000631786871 676957596 /nfs/dbraw/zinc/95/75/96/676957596.db2.gz HGRBFNODYCAACV-AWEZNQCLSA-N -1 1 362.451 2.206 20 0 FEADMM O=C(CC[N-]S(=O)(=O)c1ccc(C(F)F)o1)NCc1ccccc1 ZINC000631852358 676960338 /nfs/dbraw/zinc/96/03/38/676960338.db2.gz NGMINCZSVZIWLB-UHFFFAOYSA-N -1 1 358.366 2.202 20 0 FEADMM Cc1cc(S(=O)(=O)[N-]CCc2csc(N3CCCC3)n2)sn1 ZINC000631969814 676967760 /nfs/dbraw/zinc/96/77/60/676967760.db2.gz MFHKOLJXIYYPJP-UHFFFAOYSA-N -1 1 358.514 2.029 20 0 FEADMM CC[C@@H](NS(=O)(=O)c1cc(OC)ccc1[O-])c1c(C)nn(C)c1C ZINC000632044569 676972654 /nfs/dbraw/zinc/97/26/54/676972654.db2.gz JLNODXYPLXVVJB-CYBMUJFWSA-N -1 1 353.444 2.181 20 0 FEADMM C[C@@H]1CCn2cc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)nc2C1 ZINC000632292525 676986240 /nfs/dbraw/zinc/98/62/40/676986240.db2.gz MJYPSGVLVRIUJA-SNVBAGLBSA-N -1 1 366.418 2.228 20 0 FEADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)C(F)(F)F)n1 ZINC000632380004 676991073 /nfs/dbraw/zinc/99/10/73/676991073.db2.gz OOPJCBMALHVTMI-ZCFIWIBFSA-N -1 1 359.376 2.196 20 0 FEADMM CC[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)[C@@H](O)C(F)F ZINC000632391220 676991603 /nfs/dbraw/zinc/99/16/03/676991603.db2.gz VFYVQPHAAVSRQH-ZWNOBZJWSA-N -1 1 362.423 2.493 20 0 FEADMM CO[C@](C)(C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000632409639 676992465 /nfs/dbraw/zinc/99/24/65/676992465.db2.gz DKNGMNYBGXWDPJ-CYBMUJFWSA-N -1 1 363.361 2.269 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCC(=O)Nc2ncccc2C)c(F)c1 ZINC000632450762 676994962 /nfs/dbraw/zinc/99/49/62/676994962.db2.gz OECMAFIRGCPXMN-UHFFFAOYSA-N -1 1 369.393 2.284 20 0 FEADMM C[C@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1nc(C(F)(F)F)no1 ZINC000632479145 676996814 /nfs/dbraw/zinc/99/68/14/676996814.db2.gz AEKMLCMKHJTMBD-ZETCQYMHSA-N -1 1 363.317 2.063 20 0 FEADMM CC(C)n1cc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)nn1 ZINC000632526883 676999430 /nfs/dbraw/zinc/99/94/30/676999430.db2.gz FSNPIDIKKBMLJI-UHFFFAOYSA-N -1 1 363.468 2.461 20 0 FEADMM CC(C)n1cc(C[N-]S(=O)(=O)c2sccc2Br)nn1 ZINC000632528669 676999641 /nfs/dbraw/zinc/99/96/41/676999641.db2.gz FZZBLYXYJAGITQ-UHFFFAOYSA-N -1 1 365.278 2.162 20 0 FEADMM CC[C@H](NC(=O)CCc1nn[n-]n1)c1cc(F)cc(Br)c1 ZINC000632560520 677002018 /nfs/dbraw/zinc/00/20/18/677002018.db2.gz WXAOXBDAYRXURO-NSHDSACASA-N -1 1 356.199 2.301 20 0 FEADMM O=S(=O)([N-][C@H](C1CCC1)[C@H]1CCCO1)c1c[nH]nc1C(F)(F)F ZINC000632703742 677011013 /nfs/dbraw/zinc/01/10/13/677011013.db2.gz GUYSPXBJTFREFN-MWLCHTKSSA-N -1 1 353.366 2.055 20 0 FEADMM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000633213457 677037604 /nfs/dbraw/zinc/03/76/04/677037604.db2.gz NDLIASRBQJBHDX-MRXNPFEDSA-N -1 1 350.846 2.351 20 0 FEADMM O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc2n[n-]c(=S)n2c1 ZINC000830458605 677040902 /nfs/dbraw/zinc/04/09/02/677040902.db2.gz DLEHYGBDFZWNLO-UWVGGRQHSA-N -1 1 360.361 2.248 20 0 FEADMM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3c[nH]nc3Cl)C2)cc1 ZINC000830714563 677057169 /nfs/dbraw/zinc/05/71/69/677057169.db2.gz LXIVHLUUFNGOFV-GFCCVEGCSA-N -1 1 354.863 2.319 20 0 FEADMM COc1cc(NC(=O)CCc2nn[n-]n2)c(Cl)cc1Br ZINC000633644307 677058506 /nfs/dbraw/zinc/05/85/06/677058506.db2.gz FINFSEPJHNSKTI-UHFFFAOYSA-N -1 1 360.599 2.196 20 0 FEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC000830788417 677060607 /nfs/dbraw/zinc/06/06/07/677060607.db2.gz CRIBJAFWCCPVAQ-MLGOLLRUSA-N -1 1 356.344 2.050 20 0 FEADMM CCO[C@@H](C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000830828575 677063748 /nfs/dbraw/zinc/06/37/48/677063748.db2.gz RUEFOTPTTQHRIW-CZUORRHYSA-N -1 1 358.360 2.434 20 0 FEADMM COc1ccc(CCC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000830841578 677064424 /nfs/dbraw/zinc/06/44/24/677064424.db2.gz RXGTYXGUQVDKOG-MRXNPFEDSA-N -1 1 358.360 2.297 20 0 FEADMM CSc1nc(C)c(CCC(=O)Nc2c3c(nn2C)CCCC3)c(=O)[n-]1 ZINC000634267310 677073584 /nfs/dbraw/zinc/07/35/84/677073584.db2.gz UAGXKVCJXIFYKK-UHFFFAOYSA-N -1 1 361.471 2.396 20 0 FEADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cn1 ZINC000634657920 677079178 /nfs/dbraw/zinc/07/91/78/677079178.db2.gz HUOLSPFWNMHPAE-UHFFFAOYSA-N -1 1 350.322 2.412 20 0 FEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)CCOCC3CCC3)cc2)n[nH]1 ZINC000634788039 677082257 /nfs/dbraw/zinc/08/22/57/677082257.db2.gz AKRGWMKZYAGKNH-UHFFFAOYSA-N -1 1 350.444 2.339 20 0 FEADMM Cc1nc(-c2ccc(CCNC(=O)CCCc3nn[n-]n3)s2)cs1 ZINC000635155908 677091257 /nfs/dbraw/zinc/09/12/57/677091257.db2.gz BLLZMASRDDYLKD-UHFFFAOYSA-N -1 1 362.484 2.375 20 0 FEADMM CCN(Cc1cccc(Br)c1)C(=O)CCCc1nn[n-]n1 ZINC000635231950 677093267 /nfs/dbraw/zinc/09/32/67/677093267.db2.gz GEFICTFJGRZEPO-UHFFFAOYSA-N -1 1 352.236 2.334 20 0 FEADMM CC(C)(Cc1ccc(Br)cc1)NC(=O)CCCc1nn[n-]n1 ZINC000635482616 677100231 /nfs/dbraw/zinc/10/02/31/677100231.db2.gz GRBHJBZSRMZANJ-UHFFFAOYSA-N -1 1 366.263 2.422 20 0 FEADMM Nc1nccc([C@H]2CCCN(C(=O)N=c3[n-]sc4ccccc43)C2)n1 ZINC000640338864 677179090 /nfs/dbraw/zinc/17/90/90/677179090.db2.gz ICJGSBUUFLILSJ-NSHDSACASA-N -1 1 354.439 2.502 20 0 FEADMM CSc1nc(CNC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)cc(=O)[n-]1 ZINC000640654108 677185243 /nfs/dbraw/zinc/18/52/43/677185243.db2.gz NOPNVLOCNHKFOL-CYBMUJFWSA-N -1 1 362.455 2.214 20 0 FEADMM CSc1nc(CNC(=O)C[C@@H]2CSc3ccccc3O2)cc(=O)[n-]1 ZINC000640655655 677185356 /nfs/dbraw/zinc/18/53/56/677185356.db2.gz PHSYUPCFWQUBQQ-LLVKDONJSA-N -1 1 363.464 2.464 20 0 FEADMM CSc1nc(CNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc(=O)[n-]1 ZINC000640658317 677185394 /nfs/dbraw/zinc/18/53/94/677185394.db2.gz NGJLWBCDPVBNDY-AWEZNQCLSA-N -1 1 366.874 2.477 20 0 FEADMM CSc1nc(CNC(=O)c2ccc(N3CCC(C)=N3)cc2)cc(=O)[n-]1 ZINC000640658942 677185495 /nfs/dbraw/zinc/18/54/95/677185495.db2.gz UKQDUQDMLVPQPZ-UHFFFAOYSA-N -1 1 357.439 2.420 20 0 FEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(CO)cc(CO)c2)cc1Cl ZINC000641694618 677214187 /nfs/dbraw/zinc/21/41/87/677214187.db2.gz KWNXVUQNMHPFEZ-UHFFFAOYSA-N -1 1 371.842 2.442 20 0 FEADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(CO)cc(CO)c2)c1 ZINC000641694558 677214211 /nfs/dbraw/zinc/21/42/11/677214211.db2.gz IQNUSQHHSFETDJ-UHFFFAOYSA-N -1 1 371.842 2.272 20 0 FEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc(C(C)C)nc2C)c1 ZINC000642989631 677222675 /nfs/dbraw/zinc/22/26/75/677222675.db2.gz YMKWNGCQSIZLQO-UHFFFAOYSA-N -1 1 369.468 2.441 20 0 FEADMM CN(CCOc1cccc(Cl)c1)[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643873033 677233836 /nfs/dbraw/zinc/23/38/36/677233836.db2.gz PZQHYAMDONLRCS-HNNXBMFYSA-N -1 1 354.834 2.116 20 0 FEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)s1 ZINC000644637005 677247131 /nfs/dbraw/zinc/24/71/31/677247131.db2.gz DQZADMZNYPZKIP-UHFFFAOYSA-N -1 1 365.440 2.395 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)N2CCCC2)C(C)C)c(F)c1 ZINC000644857747 677250325 /nfs/dbraw/zinc/25/03/25/677250325.db2.gz AXKFSFWLROQHDR-AWEZNQCLSA-N -1 1 360.426 2.199 20 0 FEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CCCC3)C2)c(F)c1 ZINC000644858196 677250337 /nfs/dbraw/zinc/25/03/37/677250337.db2.gz ZOIVCTRWSLRHPQ-CYBMUJFWSA-N -1 1 372.437 2.343 20 0 FEADMM OCCCN1CCC[C@@H]1CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1 ZINC000645251143 677256386 /nfs/dbraw/zinc/25/63/86/677256386.db2.gz UHMOBQONKCXKMU-CQSZACIVSA-N -1 1 354.426 2.164 20 0 FEADMM CC(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645580994 677264791 /nfs/dbraw/zinc/26/47/91/677264791.db2.gz KTSGWPMBTYXWER-CMPLNLGQSA-N -1 1 352.378 2.440 20 0 FEADMM O=S(=O)([N-]CC1(CF)CCOCC1)c1ncccc1C(F)(F)F ZINC000645744970 677270447 /nfs/dbraw/zinc/27/04/47/677270447.db2.gz BPBJOFNUHUTNQO-UHFFFAOYSA-N -1 1 356.341 2.145 20 0 FEADMM Cn1nnc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)ccc21 ZINC000647136061 677296213 /nfs/dbraw/zinc/29/62/13/677296213.db2.gz VXHSEMIRPWCGMQ-UHFFFAOYSA-N -1 1 358.423 2.483 20 0 FEADMM CCc1ccccc1-n1cnnc1SCC(=O)Nc1c(C)[n-][nH]c1=O ZINC000647816649 677306343 /nfs/dbraw/zinc/30/63/43/677306343.db2.gz OPUSHWHPDPBEMO-UHFFFAOYSA-N -1 1 358.427 2.298 20 0 FEADMM O=S(=O)([N-]CCSc1ccccc1)c1c[nH]nc1C(F)(F)F ZINC000647892497 677307689 /nfs/dbraw/zinc/30/76/89/677307689.db2.gz GPFAHBLTEHNZNR-UHFFFAOYSA-N -1 1 351.375 2.499 20 0 FEADMM Cc1nccc([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1Cl ZINC000649597619 677333701 /nfs/dbraw/zinc/33/37/01/677333701.db2.gz OIFBWLIGVFIXCA-UHFFFAOYSA-N -1 1 354.741 2.018 20 0 FEADMM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)C2CC2)c(Br)o1 ZINC000760584017 680693629 /nfs/dbraw/zinc/69/36/29/680693629.db2.gz DNHKIALQAZGCMN-UHFFFAOYSA-N -1 1 366.233 2.296 20 0 FEADMM COC1(CS(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)CCOCC1 ZINC000650169248 677356284 /nfs/dbraw/zinc/35/62/84/677356284.db2.gz REWTYLFDAVDUBR-UHFFFAOYSA-N -1 1 351.428 2.014 20 0 FEADMM O=S(=O)([N-]c1c(F)cccc1CO)c1cccc2c1OCCCO2 ZINC000650190445 677358528 /nfs/dbraw/zinc/35/85/28/677358528.db2.gz CYMYEPSZAYSLRR-UHFFFAOYSA-N -1 1 353.371 2.280 20 0 FEADMM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1cccc2c1OCCCO2 ZINC000650462545 677376893 /nfs/dbraw/zinc/37/68/93/677376893.db2.gz DJNNDAOHLPXQBT-CYBMUJFWSA-N -1 1 351.346 2.467 20 0 FEADMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000760752248 680699738 /nfs/dbraw/zinc/69/97/38/680699738.db2.gz HIMDNOKCTSMFEE-UHFFFAOYSA-N -1 1 355.291 2.306 20 0 FEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)co1 ZINC000652620098 677495804 /nfs/dbraw/zinc/49/58/04/677495804.db2.gz ZWGQBKNYDKEVOX-KRWDZBQOSA-N -1 1 366.414 2.131 20 0 FEADMM C[C@H](CCO)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000652967050 677508848 /nfs/dbraw/zinc/50/88/48/677508848.db2.gz IRUOIQQMDHISLY-CQSZACIVSA-N -1 1 362.451 2.330 20 0 FEADMM Nc1ncc(Cl)cc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655661998 677659123 /nfs/dbraw/zinc/65/91/23/677659123.db2.gz LUFZZXCQNLDLJO-SCZZXKLOSA-N -1 1 373.784 2.096 20 0 FEADMM C[C@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655877923 677669505 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O=S(=O)(CCc1ccccc1F)[N-]c1cc([C@@H]2CCCOC2)[nH]n1 ZINC000656732542 677821820 /nfs/dbraw/zinc/82/18/20/677821820.db2.gz AWCQUCUIUCMRKU-CYBMUJFWSA-N -1 1 353.419 2.427 20 0 FEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2ncco2)cc1C)[C@@H]1CCOC1 ZINC000656735591 677823713 /nfs/dbraw/zinc/82/37/13/677823713.db2.gz QOGKIWQYTGHKSI-GDBMZVCRSA-N -1 1 366.439 2.443 20 0 FEADMM O=S(=O)(CCc1ccc(F)cc1)[N-]c1ncccc1N1CCOCC1 ZINC000656737249 677824287 /nfs/dbraw/zinc/82/42/87/677824287.db2.gz IPXIHHIBFIDALQ-UHFFFAOYSA-N -1 1 365.430 2.042 20 0 FEADMM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000656850160 677835884 /nfs/dbraw/zinc/83/58/84/677835884.db2.gz ZLWVDAUWGMFOGB-SUMWQHHRSA-N -1 1 354.472 2.127 20 0 FEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ncccc2Br)s1 ZINC000656958616 677886511 /nfs/dbraw/zinc/88/65/11/677886511.db2.gz KWKBETYWHHRAEU-ZCFIWIBFSA-N -1 1 363.262 2.044 20 0 FEADMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ncccc1Br)C1CC1 ZINC000657012698 677910522 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CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccnc(OCCO)c2)cc1 ZINC000663301902 678721280 /nfs/dbraw/zinc/72/12/80/678721280.db2.gz SDQBOZCQRLXORF-UHFFFAOYSA-N -1 1 350.440 2.452 20 0 FEADMM COc1cc(-c2nc(CC3(CS(C)(=O)=O)CC3)no2)cc(Cl)c1[O-] ZINC000664972300 678934824 /nfs/dbraw/zinc/93/48/24/678934824.db2.gz FEIRUXQVKMEWGM-UHFFFAOYSA-N -1 1 372.830 2.472 20 0 FEADMM C[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)c3ccc(C)cn3)no2)co1 ZINC000665080754 678940599 /nfs/dbraw/zinc/94/05/99/678940599.db2.gz BAMBWCWPYLYVPQ-UHFFFAOYSA-N -1 1 362.411 2.267 20 0 FEADMM CN(C)[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccc(F)c1 ZINC000665300852 678951145 /nfs/dbraw/zinc/95/11/45/678951145.db2.gz KFAKQQOLWTWUJD-HOTGVXAUSA-N -1 1 351.422 2.229 20 0 FEADMM CN(CCCN(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1)Cc1ccco1 ZINC000665319604 678952455 /nfs/dbraw/zinc/95/24/55/678952455.db2.gz WNLIXYDREHXJTJ-INIZCTEOSA-N -1 1 351.447 2.244 20 0 FEADMM COc1ccc(NC(=O)C[C@@H](C)[C@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000665965441 678994393 /nfs/dbraw/zinc/99/43/93/678994393.db2.gz PNLUBRKJZPXZEV-BXUZGUMPSA-N -1 1 356.444 2.210 20 0 FEADMM CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000667756560 679126213 /nfs/dbraw/zinc/12/62/13/679126213.db2.gz YYCWVGYKGRJHHC-CQSZACIVSA-N -1 1 359.451 2.324 20 0 FEADMM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000765052964 680829063 /nfs/dbraw/zinc/82/90/63/680829063.db2.gz QWDPIXSVQLKMLJ-UHFFFAOYSA-N -1 1 372.809 2.140 20 0 FEADMM O=C(c1csc(-c2ccc(O)cc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765109744 680831469 /nfs/dbraw/zinc/83/14/69/680831469.db2.gz NYYDBVWGQVWDMY-LLVKDONJSA-N -1 1 356.411 2.049 20 0 FEADMM NC(=O)c1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(Cl)cc1Cl ZINC000670372428 679279809 /nfs/dbraw/zinc/27/98/09/679279809.db2.gz CCWMCYAGWZZEGU-ZETCQYMHSA-N -1 1 353.227 2.013 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)no1 ZINC000671174305 679314439 /nfs/dbraw/zinc/31/44/39/679314439.db2.gz ZGKVIRSYGLPKPI-AWEZNQCLSA-N -1 1 374.409 2.403 20 0 FEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)no1 ZINC000671658326 679338958 /nfs/dbraw/zinc/33/89/58/679338958.db2.gz DSOBCAWZKJKCDD-AWEZNQCLSA-N -1 1 368.459 2.290 20 0 FEADMM COc1ccc(NC(=O)N[C@H]2CCCC2(F)F)cc1[N-]S(C)(=O)=O ZINC000672683236 679387488 /nfs/dbraw/zinc/38/74/88/679387488.db2.gz SPQQBFOQBLSIJT-LBPRGKRZSA-N -1 1 363.386 2.376 20 0 FEADMM CC(F)(F)CNS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840888895 680849346 /nfs/dbraw/zinc/84/93/46/680849346.db2.gz DTHUBXWEBTUEKZ-UHFFFAOYSA-N -1 1 364.189 2.142 20 0 FEADMM CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000673727077 679444567 /nfs/dbraw/zinc/44/45/67/679444567.db2.gz YLVWYGUNXOFIAU-UHFFFAOYSA-N -1 1 367.427 2.402 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nnc3ccccn32)c(F)c1 ZINC000674884911 679513099 /nfs/dbraw/zinc/51/30/99/679513099.db2.gz CRUMTGIAKSNBFE-VIFPVBQESA-N -1 1 368.365 2.056 20 0 FEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CC12CCC2 ZINC000675335801 679542628 /nfs/dbraw/zinc/54/26/28/679542628.db2.gz ZYVZVRYGMZMYND-CYBMUJFWSA-N -1 1 350.440 2.305 20 0 FEADMM COc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1NC(C)=O ZINC000675547855 679562279 /nfs/dbraw/zinc/56/22/79/679562279.db2.gz NWAHUEZIMNNABH-UHFFFAOYSA-N -1 1 366.443 2.376 20 0 FEADMM CSc1nc(C)c(CCC(=O)NCC2(CO)CCCCC2)c(=O)[n-]1 ZINC000675615014 679566615 /nfs/dbraw/zinc/56/66/15/679566615.db2.gz DQRAIUSDVZQVIP-UHFFFAOYSA-N -1 1 353.488 2.204 20 0 FEADMM CN(CCOc1ccc(Cl)cc1)C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000676230941 679620372 /nfs/dbraw/zinc/62/03/72/679620372.db2.gz YCCRLEHNIHAXKS-UHFFFAOYSA-N -1 1 354.834 2.164 20 0 FEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cncn3)cc2)sc1C ZINC000676414182 679632436 /nfs/dbraw/zinc/63/24/36/679632436.db2.gz MWSVCMJAWBIXPQ-NSHDSACASA-N -1 1 363.468 2.380 20 0 FEADMM Cc1[nH]nc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1[O-] ZINC000676698681 679640054 /nfs/dbraw/zinc/64/00/54/679640054.db2.gz NLPTVXLKHFXMIW-UHFFFAOYSA-N -1 1 351.428 2.389 20 0 FEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000677147211 679656340 /nfs/dbraw/zinc/65/63/40/679656340.db2.gz BPFXJGLDANVTMX-KMUNFCNLSA-N -1 1 359.394 2.209 20 0 FEADMM O=C([O-])c1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC2)s1 ZINC000911767083 685257613 /nfs/dbraw/zinc/25/76/13/685257613.db2.gz VTDZZRJKGOCQST-UHFFFAOYSA-N -1 1 374.344 2.151 20 0 FEADMM O=S(=O)([N-][C@@H](CO)C[C@@H](O)c1ccccc1)c1sccc1Cl ZINC000830945056 679898766 /nfs/dbraw/zinc/89/87/66/679898766.db2.gz VFQDFBMAAOYWJZ-DGCLKSJQSA-N -1 1 361.872 2.164 20 0 FEADMM CCOc1cccc(/C=C/C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831116902 679926706 /nfs/dbraw/zinc/92/67/06/679926706.db2.gz GWHFFCMTPYERDQ-VOTSOKGWSA-N -1 1 356.344 2.235 20 0 FEADMM O=C(Cc1cccc(C(F)F)c1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831130251 679928950 /nfs/dbraw/zinc/92/89/50/679928950.db2.gz SMBAUFHEPAXSGN-UHFFFAOYSA-N -1 1 350.287 2.304 20 0 FEADMM O=C([N-]CC1CN(C(=O)[C@@H]2CCSc3ccccc32)C1)C(F)(F)F ZINC000831145119 679933133 /nfs/dbraw/zinc/93/31/33/679933133.db2.gz QMPINLCCERNYMF-GFCCVEGCSA-N -1 1 358.385 2.403 20 0 FEADMM O=C(CCOc1ccc(Cl)cc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831154479 679935681 /nfs/dbraw/zinc/93/56/81/679935681.db2.gz RWQGPQFIGVWAAJ-UHFFFAOYSA-N -1 1 364.751 2.246 20 0 FEADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000831158136 679936610 /nfs/dbraw/zinc/93/66/10/679936610.db2.gz FYRACFBVMYGUEZ-MFKMUULPSA-N -1 1 358.360 2.473 20 0 FEADMM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1c[nH]nc1Cl ZINC000831363559 679971844 /nfs/dbraw/zinc/97/18/44/679971844.db2.gz KHFUSMKBARPVNW-IMTBSYHQSA-N -1 1 351.737 2.315 20 0 FEADMM O=C(Cc1cccc(F)c1)N1C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C1 ZINC001008871613 679972666 /nfs/dbraw/zinc/97/26/66/679972666.db2.gz JMSVNLGSNUEWIB-GHMZBOCLSA-N -1 1 368.277 2.139 20 0 FEADMM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C ZINC000749146482 680023598 /nfs/dbraw/zinc/02/35/98/680023598.db2.gz WZGIMOFCIQHUBN-UHFFFAOYSA-N -1 1 355.391 2.466 20 0 FEADMM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)OC ZINC000832124158 680098436 /nfs/dbraw/zinc/09/84/36/680098436.db2.gz HGGHCSYZBARLES-AWEZNQCLSA-N -1 1 367.826 2.359 20 0 FEADMM O=S(=O)([N-][C@@H]([C@@H](CO)C1CC1)C1CC1)c1c(Cl)ccnc1Cl ZINC000832230706 680112998 /nfs/dbraw/zinc/11/29/98/680112998.db2.gz FWKYLFALRGDWOP-CMPLNLGQSA-N -1 1 365.282 2.464 20 0 FEADMM O=C(NCCc1nnc2ccccn21)c1ccc(Br)c([O-])c1 ZINC000750825476 680134950 /nfs/dbraw/zinc/13/49/50/680134950.db2.gz JUBOHACMFGUFBV-UHFFFAOYSA-N -1 1 361.199 2.170 20 0 FEADMM CCc1cc(OS(=O)(=O)c2n[n-]c(C)c2C(=O)OC)ccc1Cl ZINC000750957656 680142485 /nfs/dbraw/zinc/14/24/85/680142485.db2.gz YSJXVOFJUGRUOX-UHFFFAOYSA-N -1 1 358.803 2.488 20 0 FEADMM C[C@H]1CCN(C(=O)C2(CF)CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000832579396 680151970 /nfs/dbraw/zinc/15/19/70/680151970.db2.gz GNPDNIWCRFLJHN-SRVKXCTJSA-N -1 1 368.371 2.057 20 0 FEADMM O=C(c1ccc(Cl)o1)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021442220 680156948 /nfs/dbraw/zinc/15/69/48/680156948.db2.gz ULXXWLUZEPRFFJ-WDEREUQCSA-N -1 1 361.785 2.020 20 0 FEADMM O=C([N-]OCc1ccc(F)cc1Br)[C@H]1CCCc2nn[nH]c21 ZINC000832678200 680164203 /nfs/dbraw/zinc/16/42/03/680164203.db2.gz POAFIZPQCARAHZ-JTQLQIEISA-N -1 1 369.194 2.374 20 0 FEADMM CC(C)[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)N1CCOCC1 ZINC000751733493 680196946 /nfs/dbraw/zinc/19/69/46/680196946.db2.gz AMUXWTDMLFKQKF-CQSZACIVSA-N -1 1 359.781 2.225 20 0 FEADMM Cc1cscc1C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000993930185 680198947 /nfs/dbraw/zinc/19/89/47/680198947.db2.gz NLCRUIPRTUGUNA-DGCLKSJQSA-N -1 1 359.451 2.295 20 0 FEADMM CC(=O)N[C@H](CCC(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000834298354 680209357 /nfs/dbraw/zinc/20/93/57/680209357.db2.gz OEMNGIRHJYNHRV-SNVBAGLBSA-N -1 1 358.236 2.429 20 0 FEADMM Cc1sccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000981299352 680226400 /nfs/dbraw/zinc/22/64/00/680226400.db2.gz ITHXYDCITFXDBA-QWHCGFSZSA-N -1 1 359.451 2.486 20 0 FEADMM CC(C)OC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCC1 ZINC000834594572 680245423 /nfs/dbraw/zinc/24/54/23/680245423.db2.gz YAJHWPACSSKNRI-UHFFFAOYSA-N -1 1 372.487 2.434 20 0 FEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(F)(F)CC)c2)n1 ZINC000834713367 680260026 /nfs/dbraw/zinc/26/00/26/680260026.db2.gz NNOIVNSFEMTISK-UHFFFAOYSA-N -1 1 352.341 2.310 20 0 FEADMM O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1c([O-])cccc1Cl ZINC000753015922 680270908 /nfs/dbraw/zinc/27/09/08/680270908.db2.gz FESAVLCMLLMOBY-CQSZACIVSA-N -1 1 359.813 2.362 20 0 FEADMM CSc1nc(CNC(=O)[C@](C)(O)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000912246941 685338596 /nfs/dbraw/zinc/33/85/96/685338596.db2.gz HJTXBPFUXSICJY-OAHLLOKOSA-N -1 1 353.831 2.081 20 0 FEADMM Cc1sc2ncn([N-]C(=O)c3cccc4nccnc43)c(=O)c2c1C ZINC000754885261 680387039 /nfs/dbraw/zinc/38/70/39/680387039.db2.gz BYLOXOUNCSXCQT-UHFFFAOYSA-N -1 1 351.391 2.402 20 0 FEADMM CC[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@H](C)C(=O)OC ZINC000836112440 680422274 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FEADMM CS(=O)(=O)CC1(CCNC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000912286275 685346631 /nfs/dbraw/zinc/34/66/31/685346631.db2.gz CCBYTDIQGGXCCB-UHFFFAOYSA-N -1 1 366.414 2.024 20 0 FEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000836739424 680505867 /nfs/dbraw/zinc/50/58/67/680505867.db2.gz XEGCQSBAXOWHBU-GHMZBOCLSA-N -1 1 361.364 2.312 20 0 FEADMM CC[C@@H](CO)N(C)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836746050 680506667 /nfs/dbraw/zinc/50/66/67/680506667.db2.gz SXWOSORMMHVIHD-ZDUSSCGKSA-N -1 1 361.364 2.408 20 0 FEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)s1 ZINC000757558256 680525839 /nfs/dbraw/zinc/52/58/39/680525839.db2.gz WRBVVTXYKYFNCG-UHFFFAOYSA-N -1 1 366.512 2.313 20 0 FEADMM Cc1nc2sccc2c(=O)n1[N-]C(=O)C(=O)c1ccc(Cl)s1 ZINC000757858082 680539143 /nfs/dbraw/zinc/53/91/43/680539143.db2.gz KZCWEHNXOFPQHK-UHFFFAOYSA-N -1 1 353.812 2.434 20 0 FEADMM Cc1scc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)c1C ZINC000987682329 680577783 /nfs/dbraw/zinc/57/77/83/680577783.db2.gz CIMZGRYQSBUUNN-RISCZKNCSA-N -1 1 359.451 2.499 20 0 FEADMM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000837575242 680621299 /nfs/dbraw/zinc/62/12/99/680621299.db2.gz LOMPQBQHDAJYJF-KOLCDFICSA-N -1 1 371.821 2.309 20 0 FEADMM O=S(=O)([N-]Cc1cccc2c1OCCO2)c1ccc(Br)o1 ZINC000759021635 680622390 /nfs/dbraw/zinc/62/23/90/680622390.db2.gz XCPGPLGHTOTANP-UHFFFAOYSA-N -1 1 374.212 2.292 20 0 FEADMM CO[C@@](C)(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccccc1F ZINC000759291177 680639752 /nfs/dbraw/zinc/63/97/52/680639752.db2.gz SNHJBMOBEOOJCI-CQSZACIVSA-N -1 1 351.296 2.299 20 0 FEADMM O=C([N-]OCC(F)F)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000760146392 680678071 /nfs/dbraw/zinc/67/80/71/680678071.db2.gz IPQBDPJPSVUTRD-QMMMGPOBSA-N -1 1 363.158 2.115 20 0 FEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)c1 ZINC000760321159 680682804 /nfs/dbraw/zinc/68/28/04/680682804.db2.gz RHKJVDYWTKWMDI-UHFFFAOYSA-N -1 1 369.468 2.190 20 0 FEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(SC)c(Cl)c2)n1 ZINC000766356403 680874582 /nfs/dbraw/zinc/87/45/82/680874582.db2.gz MPXWQOSJLJQRIC-UHFFFAOYSA-N -1 1 360.848 2.166 20 0 FEADMM CC(C)(C)OC(=O)NCC1(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000841383830 680876027 /nfs/dbraw/zinc/87/60/27/680876027.db2.gz PBKBBQRWMGBVTD-UHFFFAOYSA-N -1 1 363.340 2.457 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)OC)c(F)cc1Cl ZINC000841495409 680887507 /nfs/dbraw/zinc/88/75/07/680887507.db2.gz HMRGYTACQLDRGE-UHFFFAOYSA-N -1 1 367.826 2.359 20 0 FEADMM CCN(CCNC(=O)NCc1ccccc1C(=O)[O-])CCC(F)(F)F ZINC000874400671 685380354 /nfs/dbraw/zinc/38/03/54/685380354.db2.gz YPXYJQJYJBOWOI-UHFFFAOYSA-N -1 1 361.364 2.458 20 0 FEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)OC)c(F)cc1Cl ZINC000841520927 680891163 /nfs/dbraw/zinc/89/11/63/680891163.db2.gz JRGOBVCLQUHUOI-BDAKNGLRSA-N -1 1 367.826 2.358 20 0 FEADMM CC[C@](COC)([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)C(=O)OC ZINC000841532514 680893146 /nfs/dbraw/zinc/89/31/46/680893146.db2.gz 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